NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15119 | 1xjs | 6362 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -11.597 -17.647 19.468 2 2H MET 1 2HT MET 1 -12.747 -18.177 20.588 3 3H MET 1 3HT MET 1 -11.503 -17.141 21.085 4 HA MET 1 HA MET 1 -13.497 -15.878 20.895 5 1HB MET 1 2HB MET 1 -11.636 -15.380 18.560 6 2HB MET 1 1HB MET 1 -12.815 -14.229 19.169 7 1HG MET 1 2HG MET 1 -11.638 -14.160 21.309 8 2HG MET 1 1HG MET 1 -10.452 -15.306 20.688 9 1HE MET 1 1HE MET 1 -9.588 -12.536 21.964 10 2HE MET 1 2HE MET 1 -8.361 -12.020 20.806 11 3HE MET 1 3HE MET 1 -8.457 -13.713 21.291 12 H SER 2 H SER 2 -15.423 -15.479 19.948 13 HA SER 2 HA SER 2 -16.141 -17.121 17.632 14 1HB SER 2 2HB SER 2 -17.939 -15.419 19.379 15 2HB SER 2 1HB SER 2 -18.436 -16.669 18.239 16 HG SER 2 HG SER 2 -18.441 -17.749 20.093 17 H PHE 3 H PHE 3 -16.660 -13.789 18.781 18 HA PHE 3 HA PHE 3 -16.359 -12.876 16.005 19 1HB PHE 3 2HB PHE 3 -18.463 -12.089 18.010 20 2HB PHE 3 1HB PHE 3 -18.024 -11.025 16.679 21 HD1 PHE 3 1HD PHE 3 -19.592 -14.218 17.586 22 HD2 PHE 3 2HD PHE 3 -18.643 -11.534 14.421 23 HE1 PHE 3 1HE PHE 3 -21.145 -15.419 16.103 24 HE2 PHE 3 2HE PHE 3 -20.194 -12.732 12.935 25 HZ PHE 3 HZ PHE 3 -21.448 -14.679 13.776 26 H ASN 4 H ASN 4 -14.898 -11.373 15.727 27 HA ASN 4 HA ASN 4 -14.315 -9.392 17.749 28 1HB ASN 4 2HB ASN 4 -12.827 -11.369 18.293 29 2HB ASN 4 1HB ASN 4 -12.077 -11.165 16.715 30 1HD2 ASN 4 1HD2 ASN 4 -10.915 -10.988 19.387 31 2HD2 ASN 4 2HD2 ASN 4 -10.215 -9.411 19.508 32 H ALA 5 H ALA 5 -13.884 -7.505 16.767 33 HA ALA 5 HA ALA 5 -14.007 -7.464 13.871 34 1HB ALA 5 1HB ALA 5 -15.385 -5.937 15.200 35 2HB ALA 5 2HB ALA 5 -14.296 -5.061 14.125 36 3HB ALA 5 3HB ALA 5 -13.926 -5.184 15.844 37 H ASN 6 H ASN 6 -11.550 -8.303 15.440 38 HA ASN 6 HA ASN 6 -9.489 -6.448 15.300 39 1HB ASN 6 2HB ASN 6 -9.387 -8.654 16.448 40 2HB ASN 6 1HB ASN 6 -9.265 -9.438 14.877 41 1HD2 ASN 6 1HD2 ASN 6 -7.342 -9.331 13.743 42 2HD2 ASN 6 2HD2 ASN 6 -5.873 -8.760 14.450 43 H LEU 7 H LEU 7 -10.347 -8.918 12.858 44 HA LEU 7 HA LEU 7 -8.935 -7.255 10.878 45 1HB LEU 7 2HB LEU 7 -7.609 -9.238 11.389 46 2HB LEU 7 1HB LEU 7 -8.983 -10.270 11.038 47 HG LEU 7 HG LEU 7 -8.909 -9.498 8.673 48 1HD1 LEU 7 1HD1 LEU 7 -7.827 -7.340 9.038 49 2HD1 LEU 7 2HD1 LEU 7 -6.941 -8.314 7.865 50 3HD1 LEU 7 3HD1 LEU 7 -6.343 -8.162 9.518 51 1HD2 LEU 7 1HD2 LEU 7 -6.909 -10.768 8.057 52 2HD2 LEU 7 2HD2 LEU 7 -7.826 -11.579 9.325 53 3HD2 LEU 7 3HD2 LEU 7 -6.350 -10.701 9.728 54 H ASP 8 H ASP 8 -11.548 -9.539 11.501 55 HA ASP 8 HA ASP 8 -12.514 -9.858 8.911 56 1HB ASP 8 2HB ASP 8 -13.261 -11.240 10.800 57 2HB ASP 8 1HB ASP 8 -14.116 -9.855 11.477 58 H THR 9 H THR 9 -13.747 -7.631 11.390 59 HA THR 9 HA THR 9 -15.547 -6.353 9.612 60 HB THR 9 HB THR 9 -14.489 -5.338 12.257 61 HG1 THR 9 1HG THR 9 -16.605 -7.121 11.574 62 1HG2 THR 9 1HG2 THR 9 -17.047 -4.724 10.764 63 2HG2 THR 9 2HG2 THR 9 -15.686 -3.625 10.978 64 3HG2 THR 9 3HG2 THR 9 -16.632 -4.136 12.374 65 H LEU 10 H LEU 10 -12.208 -5.913 10.364 66 HA LEU 10 HA LEU 10 -11.994 -3.183 9.597 67 1HB LEU 10 2HB LEU 10 -10.384 -4.419 11.065 68 2HB LEU 10 1HB LEU 10 -9.824 -5.277 9.644 69 HG LEU 10 HG LEU 10 -8.990 -3.217 8.671 70 1HD1 LEU 10 1HD1 LEU 10 -10.700 -1.696 9.535 71 2HD1 LEU 10 2HD1 LEU 10 -9.077 -1.106 9.890 72 3HD1 LEU 10 3HD1 LEU 10 -10.034 -1.869 11.159 73 1HD2 LEU 10 1HD2 LEU 10 -8.154 -3.522 11.553 74 2HD2 LEU 10 2HD2 LEU 10 -7.228 -2.714 10.289 75 3HD2 LEU 10 3HD2 LEU 10 -7.527 -4.449 10.192 76 H TYR 11 H TYR 11 -11.077 -6.208 7.923 77 HA TYR 11 HA TYR 11 -10.520 -4.855 5.479 78 1HB TYR 11 2HB TYR 11 -9.934 -6.917 4.577 79 2HB TYR 11 1HB TYR 11 -9.595 -7.160 6.283 80 HD1 TYR 11 1HD TYR 11 -11.965 -7.953 3.551 81 HD2 TYR 11 2HD TYR 11 -10.755 -8.835 7.533 82 HE1 TYR 11 1HE TYR 11 -13.369 -9.969 3.524 83 HE2 TYR 11 2HE TYR 11 -12.158 -10.854 7.513 84 HH TYR 11 HH TYR 11 -13.585 -12.087 4.638 85 H ARG 12 H ARG 12 -13.289 -6.249 6.984 86 HA ARG 12 HA ARG 12 -15.053 -6.487 4.838 87 1HB ARG 12 2HB ARG 12 -15.441 -7.043 7.313 88 2HB ARG 12 1HB ARG 12 -15.804 -5.338 7.529 89 1HG ARG 12 2HG ARG 12 -17.863 -6.476 7.302 90 2HG ARG 12 1HG ARG 12 -17.595 -5.593 5.798 91 1HD ARG 12 2HD ARG 12 -18.426 -7.875 5.408 92 2HD ARG 12 1HD ARG 12 -16.827 -7.616 4.710 93 HE ARG 12 HE ARG 12 -16.269 -8.665 7.143 94 1HH1 ARG 12 1HH1 ARG 12 -18.442 -9.673 4.595 95 2HH1 ARG 12 2HH1 ARG 12 -18.192 -11.374 4.876 96 1HH2 ARG 12 1HH2 ARG 12 -15.955 -10.913 7.545 97 2HH2 ARG 12 2HH2 ARG 12 -16.787 -12.071 6.546 98 H GLN 13 H GLN 13 -14.325 -3.686 6.901 99 HA GLN 13 HA GLN 13 -15.849 -1.842 5.381 100 1HB GLN 13 2HB GLN 13 -13.576 -1.437 7.327 101 2HB GLN 13 1HB GLN 13 -14.481 -0.117 6.600 102 1HG GLN 13 2HG GLN 13 -16.543 -1.012 7.602 103 2HG GLN 13 1HG GLN 13 -15.587 -2.273 8.382 104 1HE2 GLN 13 1HE2 GLN 13 -16.323 1.121 8.277 105 2HE2 GLN 13 2HE2 GLN 13 -15.647 1.518 9.825 106 H VAL 14 H VAL 14 -12.476 -2.930 5.256 107 HA VAL 14 HA VAL 14 -11.537 -0.932 3.505 108 HB VAL 14 HB VAL 14 -10.605 -3.801 3.738 109 1HG1 VAL 14 1HG1 VAL 14 -9.227 -1.421 2.494 110 2HG1 VAL 14 2HG1 VAL 14 -9.870 -2.817 1.630 111 3HG1 VAL 14 3HG1 VAL 14 -8.512 -3.015 2.736 112 1HG2 VAL 14 1HG2 VAL 14 -9.594 -1.266 5.021 113 2HG2 VAL 14 2HG2 VAL 14 -8.837 -2.853 5.154 114 3HG2 VAL 14 3HG2 VAL 14 -10.442 -2.583 5.834 115 H ILE 15 H ILE 15 -13.008 -4.100 2.770 116 HA ILE 15 HA ILE 15 -12.774 -3.654 -0.057 117 HB ILE 15 HB ILE 15 -12.690 -5.931 0.894 118 1HG1 ILE 15 2HG1 ILE 15 -14.992 -5.528 -1.028 119 2HG1 ILE 15 1HG1 ILE 15 -13.292 -5.510 -1.481 120 1HG2 ILE 15 1HG2 ILE 15 -14.753 -7.060 1.568 121 2HG2 ILE 15 2HG2 ILE 15 -15.637 -5.543 1.402 122 3HG2 ILE 15 3HG2 ILE 15 -14.383 -5.702 2.632 123 1HD1 ILE 15 1HD1 ILE 15 -14.327 -7.637 -2.008 124 2HD1 ILE 15 2HD1 ILE 15 -14.778 -7.852 -0.316 125 3HD1 ILE 15 3HD1 ILE 15 -13.076 -7.834 -0.780 126 H MET 16 H MET 16 -15.281 -3.174 2.355 127 HA MET 16 HA MET 16 -17.414 -2.807 0.513 128 1HB MET 16 2HB MET 16 -17.017 -2.014 3.381 129 2HB MET 16 1HB MET 16 -18.428 -1.471 2.483 130 1HG MET 16 2HG MET 16 -19.030 -3.804 2.039 131 2HG MET 16 1HG MET 16 -17.626 -4.330 2.969 132 1HE MET 16 1HE MET 16 -19.283 -5.871 4.383 133 2HE MET 16 2HE MET 16 -20.684 -5.258 3.503 134 3HE MET 16 3HE MET 16 -20.679 -5.256 5.268 135 H ASP 17 H ASP 17 -15.123 -0.581 2.041 136 HA ASP 17 HA ASP 17 -16.222 1.788 0.959 137 1HB ASP 17 2HB ASP 17 -14.448 1.538 2.815 138 2HB ASP 17 1HB ASP 17 -13.281 1.390 1.504 139 H HIS 18 H HIS 18 -13.979 -0.605 -0.227 140 HA HIS 18 HA HIS 18 -13.180 0.801 -2.566 141 1HB HIS 18 2HB HIS 18 -11.988 -1.162 -1.445 142 2HB HIS 18 1HB HIS 18 -13.188 -2.197 -2.211 143 HD1 HIS 18 1HD HIS 18 -12.989 -2.564 -4.772 144 HD2 HIS 18 2HD HIS 18 -10.076 -0.060 -3.167 145 HE1 HIS 18 1HE HIS 18 -11.231 -2.328 -6.552 146 HE2 HIS 18 2HE HIS 18 -9.422 -0.916 -5.515 147 H TYR 19 H TYR 19 -15.976 -1.029 -1.706 148 HA TYR 19 HA TYR 19 -16.775 -1.487 -4.454 149 1HB TYR 19 2HB TYR 19 -17.345 -3.137 -2.723 150 2HB TYR 19 1HB TYR 19 -18.311 -1.923 -1.887 151 HD1 TYR 19 1HD TYR 19 -18.010 -3.562 -5.231 152 HD2 TYR 19 2HD TYR 19 -20.581 -1.801 -2.332 153 HE1 TYR 19 1HE TYR 19 -19.956 -4.137 -6.616 154 HE2 TYR 19 2HE TYR 19 -22.534 -2.378 -3.709 155 HH TYR 19 HH TYR 19 -22.989 -2.792 -6.148 156 H LYS 20 H LYS 20 -17.461 0.769 -1.855 157 HA LYS 20 HA LYS 20 -19.656 2.058 -3.112 158 1HB LYS 20 2HB LYS 20 -17.733 2.843 -0.944 159 2HB LYS 20 1HB LYS 20 -18.839 4.036 -1.610 160 1HG LYS 20 2HG LYS 20 -19.699 1.404 -0.425 161 2HG LYS 20 1HG LYS 20 -19.673 2.939 0.448 162 1HD LYS 20 2HD LYS 20 -21.237 3.889 -1.189 163 2HD LYS 20 1HD LYS 20 -21.264 2.350 -2.050 164 1HE LYS 20 2HE LYS 20 -22.095 2.694 0.825 165 2HE LYS 20 1HE LYS 20 -23.214 2.738 -0.536 166 1HZ LYS 20 1HZ LYS 20 -22.476 0.471 -1.110 167 2HZ LYS 20 2HZ LYS 20 -23.207 0.554 0.418 168 3HZ LYS 20 3HZ LYS 20 -21.523 0.438 0.294 169 H ASN 21 H ASN 21 -16.279 2.112 -3.584 170 HA ASN 21 HA ASN 21 -16.664 4.027 -5.784 171 1HB ASN 21 2HB ASN 21 -14.426 3.924 -3.778 172 2HB ASN 21 1HB ASN 21 -14.118 4.518 -5.406 173 1HD2 ASN 21 1HD2 ASN 21 -15.768 5.102 -2.398 174 2HD2 ASN 21 2HD2 ASN 21 -16.178 6.749 -2.721 175 HA PRO 22 HA PRO 22 -15.385 -0.156 -7.136 176 1HB PRO 22 2HB PRO 22 -17.073 0.255 -9.455 177 2HB PRO 22 1HB PRO 22 -17.257 -0.907 -8.141 178 1HG PRO 22 2HG PRO 22 -18.934 1.210 -8.525 179 2HG PRO 22 1HG PRO 22 -18.630 0.475 -6.942 180 1HD PRO 22 2HD PRO 22 -17.493 2.977 -8.123 181 2HD PRO 22 1HD PRO 22 -18.021 2.654 -6.457 182 H ARG 23 H ARG 23 -13.375 1.269 -7.493 183 HA ARG 23 HA ARG 23 -12.772 1.056 -10.355 184 1HB ARG 23 2HB ARG 23 -12.164 3.376 -8.537 185 2HB ARG 23 1HB ARG 23 -11.177 3.050 -9.958 186 1HG ARG 23 2HG ARG 23 -13.200 3.199 -11.360 187 2HG ARG 23 1HG ARG 23 -14.135 3.609 -9.923 188 1HD ARG 23 2HD ARG 23 -13.097 5.676 -9.689 189 2HD ARG 23 1HD ARG 23 -11.720 5.205 -10.688 190 HE ARG 23 HE ARG 23 -14.055 5.122 -12.251 191 1HH1 ARG 23 1HH1 ARG 23 -12.067 7.514 -10.617 192 2HH1 ARG 23 2HH1 ARG 23 -12.323 8.726 -11.841 193 1HH2 ARG 23 1HH2 ARG 23 -14.377 6.681 -13.837 194 2HH2 ARG 23 2HH2 ARG 23 -13.620 8.247 -13.698 195 H ASN 24 H ASN 24 -11.089 -0.182 -10.737 196 HA ASN 24 HA ASN 24 -8.796 -0.363 -9.115 197 1HB ASN 24 2HB ASN 24 -10.402 -1.723 -7.742 198 2HB ASN 24 1HB ASN 24 -10.618 -2.790 -9.126 199 1HD2 ASN 24 1HD2 ASN 24 -9.871 -4.522 -7.823 200 2HD2 ASN 24 2HD2 ASN 24 -8.182 -4.738 -7.524 201 H LYS 25 H LYS 25 -7.237 -1.592 -10.131 202 HA LYS 25 HA LYS 25 -6.108 -2.655 -11.776 203 1HB LYS 25 2HB LYS 25 -7.990 -4.282 -11.749 204 2HB LYS 25 1HB LYS 25 -8.801 -3.320 -12.976 205 1HG LYS 25 2HG LYS 25 -6.911 -3.715 -14.498 206 2HG LYS 25 1HG LYS 25 -6.159 -4.730 -13.265 207 1HD LYS 25 2HD LYS 25 -8.122 -6.213 -13.320 208 2HD LYS 25 1HD LYS 25 -8.823 -5.214 -14.594 209 1HE LYS 25 2HE LYS 25 -6.287 -6.837 -14.725 210 2HE LYS 25 1HE LYS 25 -7.788 -7.127 -15.606 211 1HZ LYS 25 1HZ LYS 25 -5.731 -5.072 -16.063 212 2HZ LYS 25 2HZ LYS 25 -7.337 -4.747 -16.507 213 3HZ LYS 25 3HZ LYS 25 -6.529 -6.074 -17.182 214 H GLY 26 H GLY 26 -5.144 -0.856 -12.530 215 1HA GLY 26 2HA GLY 26 -5.949 -0.010 -15.186 216 2HA GLY 26 1HA GLY 26 -5.947 1.260 -13.964 217 H VAL 27 H VAL 27 -4.242 1.429 -16.165 218 HA VAL 27 HA VAL 27 -1.630 1.048 -14.884 219 HB VAL 27 HB VAL 27 -2.210 0.288 -17.757 220 1HG1 VAL 27 1HG1 VAL 27 0.345 0.193 -16.159 221 2HG1 VAL 27 2HG1 VAL 27 -0.002 1.233 -17.541 222 3HG1 VAL 27 3HG1 VAL 27 0.128 -0.511 -17.762 223 1HG2 VAL 27 1HG2 VAL 27 -1.666 -2.001 -17.073 224 2HG2 VAL 27 2HG2 VAL 27 -3.071 -1.384 -16.203 225 3HG2 VAL 27 3HG2 VAL 27 -1.502 -1.463 -15.400 226 H LEU 28 H LEU 28 -0.653 2.931 -14.800 227 HA LEU 28 HA LEU 28 -1.177 4.907 -16.933 228 1HB LEU 28 2HB LEU 28 -1.807 5.253 -14.385 229 2HB LEU 28 1HB LEU 28 -0.110 5.662 -14.250 230 HG LEU 28 HG LEU 28 -2.057 7.046 -16.095 231 1HD1 LEU 28 1HD1 LEU 28 -2.617 7.431 -13.760 232 2HD1 LEU 28 2HD1 LEU 28 -1.952 8.888 -14.499 233 3HD1 LEU 28 3HD1 LEU 28 -0.951 7.906 -13.430 234 1HD2 LEU 28 1HD2 LEU 28 0.253 7.133 -16.873 235 2HD2 LEU 28 2HD2 LEU 28 0.765 7.735 -15.298 236 3HD2 LEU 28 3HD2 LEU 28 -0.291 8.715 -16.313 237 H ASN 29 H ASN 29 0.496 4.617 -18.317 238 HA ASN 29 HA ASN 29 3.171 4.122 -17.298 239 1HB ASN 29 2HB ASN 29 2.117 4.347 -20.126 240 2HB ASN 29 1HB ASN 29 3.792 3.996 -19.717 241 1HD2 ASN 29 1HD2 ASN 29 0.559 2.781 -19.870 242 2HD2 ASN 29 2HD2 ASN 29 0.958 1.123 -19.578 243 H ASP 30 H ASP 30 4.220 5.848 -16.551 244 HA ASP 30 HA ASP 30 4.630 8.093 -18.331 245 1HB ASP 30 2HB ASP 30 2.624 8.800 -17.108 246 2HB ASP 30 1HB ASP 30 3.448 8.517 -15.576 247 H SER 31 H SER 31 5.065 7.597 -14.816 248 HA SER 31 HA SER 31 7.916 8.159 -15.261 249 1HB SER 31 2HB SER 31 7.450 8.741 -12.606 250 2HB SER 31 1HB SER 31 7.518 9.916 -13.921 251 HG SER 31 HG SER 31 5.305 9.848 -14.099 252 H ILE 32 H ILE 32 6.050 6.741 -12.527 253 HA ILE 32 HA ILE 32 8.151 4.677 -12.459 254 HB ILE 32 HB ILE 32 7.517 4.285 -10.096 255 1HG1 ILE 32 2HG1 ILE 32 5.908 6.829 -10.375 256 2HG1 ILE 32 1HG1 ILE 32 5.200 5.220 -10.285 257 1HG2 ILE 32 1HG2 ILE 32 8.605 6.297 -9.229 258 2HG2 ILE 32 2HG2 ILE 32 8.344 7.101 -10.776 259 3HG2 ILE 32 3HG2 ILE 32 9.409 5.699 -10.679 260 1HD1 ILE 32 1HD1 ILE 32 5.134 6.389 -8.144 261 2HD1 ILE 32 2HD1 ILE 32 6.894 6.500 -8.155 262 3HD1 ILE 32 3HD1 ILE 32 6.111 4.923 -8.063 263 H VAL 33 H VAL 33 7.686 2.660 -12.877 264 HA VAL 33 HA VAL 33 4.894 1.736 -12.682 265 HB VAL 33 HB VAL 33 6.919 0.987 -14.807 266 1HG1 VAL 33 1HG1 VAL 33 5.527 -0.916 -14.177 267 2HG1 VAL 33 2HG1 VAL 33 5.137 -0.351 -15.801 268 3HG1 VAL 33 3HG1 VAL 33 4.075 0.047 -14.452 269 1HG2 VAL 33 1HG2 VAL 33 5.335 2.033 -16.372 270 2HG2 VAL 33 2HG2 VAL 33 5.976 3.185 -15.199 271 3HG2 VAL 33 3HG2 VAL 33 4.343 2.545 -15.007 272 H VAL 34 H VAL 34 4.935 0.474 -10.902 273 HA VAL 34 HA VAL 34 6.993 -1.632 -10.765 274 HB VAL 34 HB VAL 34 5.920 -0.036 -8.423 275 1HG1 VAL 34 1HG1 VAL 34 7.879 -2.328 -8.469 276 2HG1 VAL 34 2HG1 VAL 34 6.242 -2.366 -7.814 277 3HG1 VAL 34 3HG1 VAL 34 7.473 -1.353 -7.057 278 1HG2 VAL 34 1HG2 VAL 34 8.699 -0.171 -9.595 279 2HG2 VAL 34 2HG2 VAL 34 8.235 0.709 -8.137 280 3HG2 VAL 34 3HG2 VAL 34 7.589 1.196 -9.704 281 H ASP 35 H ASP 35 5.955 -3.527 -11.051 282 HA ASP 35 HA ASP 35 3.367 -3.833 -9.688 283 1HB ASP 35 2HB ASP 35 2.783 -5.581 -11.298 284 2HB ASP 35 1HB ASP 35 3.092 -4.046 -12.088 285 H MET 36 H MET 36 2.870 -5.918 -8.769 286 HA MET 36 HA MET 36 5.193 -7.505 -8.012 287 1HB MET 36 2HB MET 36 5.037 -5.782 -6.279 288 2HB MET 36 1HB MET 36 3.337 -6.154 -6.036 289 1HG MET 36 2HG MET 36 4.747 -7.108 -4.288 290 2HG MET 36 1HG MET 36 3.897 -8.352 -5.204 291 1HE MET 36 1HE MET 36 7.260 -10.130 -4.277 292 2HE MET 36 2HE MET 36 5.500 -10.241 -4.249 293 3HE MET 36 3HE MET 36 6.320 -9.013 -3.284 294 H ASN 37 H ASN 37 4.699 -9.540 -8.145 295 HA ASN 37 HA ASN 37 1.863 -10.335 -8.220 296 1HB ASN 37 2HB ASN 37 4.291 -11.571 -9.539 297 2HB ASN 37 1HB ASN 37 2.720 -12.353 -9.488 298 1HD2 ASN 37 1HD2 ASN 37 3.219 -8.904 -9.944 299 2HD2 ASN 37 2HD2 ASN 37 2.649 -8.857 -11.581 300 H ASN 38 H ASN 38 1.190 -12.225 -7.163 301 HA ASN 38 HA ASN 38 3.203 -13.583 -5.490 302 1HB ASN 38 2HB ASN 38 1.573 -12.326 -4.082 303 2HB ASN 38 1HB ASN 38 0.253 -13.184 -4.861 304 1HD2 ASN 38 1HD2 ASN 38 1.032 -13.042 -2.036 305 2HD2 ASN 38 2HD2 ASN 38 1.282 -14.678 -1.531 306 HA PRO 39 HA PRO 39 1.661 -16.161 -8.950 307 1HB PRO 39 2HB PRO 39 4.188 -17.606 -8.471 308 2HB PRO 39 1HB PRO 39 3.569 -16.883 -9.958 309 1HG PRO 39 2HG PRO 39 5.604 -15.777 -8.623 310 2HG PRO 39 1HG PRO 39 4.377 -14.781 -9.431 311 1HD PRO 39 2HD PRO 39 4.654 -15.461 -6.526 312 2HD PRO 39 1HD PRO 39 4.239 -13.910 -7.284 313 H THR 40 H THR 40 2.345 -16.915 -5.720 314 HA THR 40 HA THR 40 1.517 -19.683 -5.921 315 HB THR 40 HB THR 40 1.898 -17.942 -3.478 316 HG1 THR 40 1HG THR 40 3.719 -18.851 -5.143 317 1HG2 THR 40 1HG2 THR 40 1.721 -20.945 -3.748 318 2HG2 THR 40 2HG2 THR 40 0.485 -19.893 -3.058 319 3HG2 THR 40 3HG2 THR 40 2.049 -20.058 -2.260 320 H CYS 41 H CYS 41 0.187 -16.578 -4.886 321 HA CYS 41 HA CYS 41 -2.323 -17.900 -4.151 322 1HB CYS 41 2HB CYS 41 -1.197 -16.456 -2.481 323 2HB CYS 41 1HB CYS 41 -1.385 -15.086 -3.567 324 HG CYS 41 HG CYS 41 -4.115 -16.814 -2.446 325 H GLY 42 H GLY 42 -0.974 -15.622 -6.468 326 1HA GLY 42 2HA GLY 42 -2.033 -15.618 -8.644 327 2HA GLY 42 1HA GLY 42 -3.590 -15.746 -7.840 328 H ASP 43 H ASP 43 -1.881 -13.645 -6.038 329 HA ASP 43 HA ASP 43 -3.301 -11.361 -6.928 330 1HB ASP 43 2HB ASP 43 -0.882 -11.343 -5.125 331 2HB ASP 43 1HB ASP 43 -2.224 -10.203 -5.152 332 H ARG 44 H ARG 44 -2.603 -9.546 -7.995 333 HA ARG 44 HA ARG 44 0.158 -9.277 -8.850 334 1HB ARG 44 2HB ARG 44 -0.782 -10.687 -10.624 335 2HB ARG 44 1HB ARG 44 -2.125 -9.569 -10.823 336 1HG ARG 44 2HG ARG 44 -0.387 -7.816 -11.407 337 2HG ARG 44 1HG ARG 44 0.763 -9.149 -11.519 338 1HD ARG 44 2HD ARG 44 -1.744 -8.750 -13.137 339 2HD ARG 44 1HD ARG 44 -0.080 -8.687 -13.713 340 HE ARG 44 HE ARG 44 -1.499 -11.125 -12.840 341 1HH1 ARG 44 1HH1 ARG 44 1.065 -9.541 -14.603 342 2HH1 ARG 44 2HH1 ARG 44 1.581 -10.980 -15.425 343 1HH2 ARG 44 1HH2 ARG 44 -0.836 -13.032 -13.908 344 2HH2 ARG 44 2HH2 ARG 44 0.482 -12.973 -15.042 345 H ILE 45 H ILE 45 0.541 -7.169 -8.319 346 HA ILE 45 HA ILE 45 -1.649 -5.270 -8.873 347 HB ILE 45 HB ILE 45 0.272 -5.198 -6.540 348 1HG1 ILE 45 2HG1 ILE 45 -2.740 -5.481 -6.674 349 2HG1 ILE 45 1HG1 ILE 45 -1.601 -6.757 -6.251 350 1HG2 ILE 45 1HG2 ILE 45 -0.906 -3.147 -5.867 351 2HG2 ILE 45 2HG2 ILE 45 -1.822 -3.192 -7.373 352 3HG2 ILE 45 3HG2 ILE 45 -0.076 -2.955 -7.411 353 1HD1 ILE 45 1HD1 ILE 45 -0.925 -5.447 -4.277 354 2HD1 ILE 45 2HD1 ILE 45 -2.632 -5.888 -4.263 355 3HD1 ILE 45 3HD1 ILE 45 -2.150 -4.245 -4.685 356 H ARG 46 H ARG 46 -1.060 -4.171 -10.607 357 HA ARG 46 HA ARG 46 1.726 -3.351 -10.916 358 1HB ARG 46 2HB ARG 46 -0.596 -2.891 -12.796 359 2HB ARG 46 1HB ARG 46 1.104 -2.608 -13.146 360 1HG ARG 46 2HG ARG 46 1.321 -5.162 -12.589 361 2HG ARG 46 1HG ARG 46 -0.404 -5.169 -12.970 362 1HD ARG 46 2HD ARG 46 0.784 -5.684 -14.976 363 2HD ARG 46 1HD ARG 46 0.153 -4.044 -15.132 364 HE ARG 46 HE ARG 46 2.922 -4.433 -14.234 365 1HH1 ARG 46 1HH1 ARG 46 0.674 -3.325 -16.684 366 2HH1 ARG 46 2HH1 ARG 46 1.891 -2.461 -17.582 367 1HH2 ARG 46 1HH2 ARG 46 4.514 -3.337 -15.422 368 2HH2 ARG 46 2HH2 ARG 46 4.084 -2.507 -16.887 369 H LEU 47 H LEU 47 2.284 -1.584 -9.892 370 HA LEU 47 HA LEU 47 0.311 0.495 -9.387 371 1HB LEU 47 2HB LEU 47 1.482 -0.430 -7.436 372 2HB LEU 47 1HB LEU 47 3.025 -0.004 -8.152 373 HG LEU 47 HG LEU 47 2.464 2.371 -7.982 374 1HD1 LEU 47 1HD1 LEU 47 0.046 2.193 -8.228 375 2HD1 LEU 47 2HD1 LEU 47 0.473 3.087 -6.769 376 3HD1 LEU 47 3HD1 LEU 47 -0.064 1.411 -6.650 377 1HD2 LEU 47 1HD2 LEU 47 2.092 0.861 -5.394 378 2HD2 LEU 47 2HD2 LEU 47 2.574 2.551 -5.547 379 3HD2 LEU 47 3HD2 LEU 47 3.637 1.274 -6.141 380 H THR 48 H THR 48 0.275 1.860 -11.003 381 HA THR 48 HA THR 48 2.836 2.790 -12.108 382 HB THR 48 HB THR 48 1.305 3.431 -14.111 383 HG1 THR 48 1HG THR 48 -0.277 1.535 -12.689 384 1HG2 THR 48 1HG2 THR 48 3.051 1.726 -14.225 385 2HG2 THR 48 2HG2 THR 48 1.615 1.213 -15.110 386 3HG2 THR 48 3HG2 THR 48 1.953 0.544 -13.514 387 H MET 49 H MET 49 3.272 4.675 -11.144 388 HA MET 49 HA MET 49 1.026 6.486 -10.560 389 1HB MET 49 2HB MET 49 3.750 6.295 -9.273 390 2HB MET 49 1HB MET 49 2.570 7.542 -8.910 391 1HG MET 49 2HG MET 49 1.016 5.816 -8.120 392 2HG MET 49 1HG MET 49 2.252 4.594 -8.428 393 1HE MET 49 1HE MET 49 1.835 3.861 -5.826 394 2HE MET 49 2HE MET 49 0.720 5.206 -5.591 395 3HE MET 49 3HE MET 49 2.061 4.966 -4.473 396 H LYS 50 H LYS 50 1.482 8.778 -10.673 397 HA LYS 50 HA LYS 50 3.675 9.464 -12.495 398 1HB LYS 50 2HB LYS 50 1.639 9.540 -13.820 399 2HB LYS 50 1HB LYS 50 0.849 10.536 -12.604 400 1HG LYS 50 2HG LYS 50 2.381 12.354 -13.042 401 2HG LYS 50 1HG LYS 50 3.283 11.354 -14.179 402 1HD LYS 50 2HD LYS 50 1.314 11.223 -15.625 403 2HD LYS 50 1HD LYS 50 0.407 12.214 -14.480 404 1HE LYS 50 2HE LYS 50 1.905 14.077 -14.847 405 2HE LYS 50 1HE LYS 50 2.923 13.092 -15.897 406 1HZ LYS 50 1HZ LYS 50 1.372 14.584 -17.094 407 2HZ LYS 50 2HZ LYS 50 0.075 13.702 -16.452 408 3HZ LYS 50 3HZ LYS 50 1.183 12.946 -17.489 409 H LEU 51 H LEU 51 4.988 10.326 -11.004 410 HA LEU 51 HA LEU 51 3.935 12.459 -9.322 411 1HB LEU 51 2HB LEU 51 6.149 12.365 -8.194 412 2HB LEU 51 1HB LEU 51 5.218 10.888 -8.079 413 HG LEU 51 HG LEU 51 6.835 10.482 -10.301 414 1HD1 LEU 51 1HD1 LEU 51 8.170 12.435 -9.732 415 2HD1 LEU 51 2HD1 LEU 51 9.095 10.955 -9.481 416 3HD1 LEU 51 3HD1 LEU 51 8.411 11.813 -8.100 417 1HD2 LEU 51 1HD2 LEU 51 7.226 9.640 -7.432 418 2HD2 LEU 51 2HD2 LEU 51 7.950 8.864 -8.843 419 3HD2 LEU 51 3HD2 LEU 51 6.199 8.837 -8.622 420 H ASP 52 H ASP 52 3.891 14.349 -10.293 421 HA ASP 52 HA ASP 52 5.944 14.886 -12.339 422 1HB ASP 52 2HB ASP 52 3.618 14.695 -13.208 423 2HB ASP 52 1HB ASP 52 3.157 16.053 -12.188 424 H GLY 53 H GLY 53 7.229 15.555 -10.483 425 1HA GLY 53 2HA GLY 53 7.933 18.052 -10.265 426 2HA GLY 53 1HA GLY 53 6.446 18.129 -9.327 427 H ASP 54 H ASP 54 6.431 17.488 -7.300 428 HA ASP 54 HA ASP 54 8.615 15.866 -6.230 429 1HB ASP 54 2HB ASP 54 9.157 18.333 -5.945 430 2HB ASP 54 1HB ASP 54 7.737 18.450 -4.914 431 H ILE 55 H ILE 55 5.718 15.656 -6.893 432 HA ILE 55 HA ILE 55 4.625 15.022 -4.259 433 HB ILE 55 HB ILE 55 2.378 15.597 -5.447 434 1HG1 ILE 55 2HG1 ILE 55 2.563 17.473 -7.071 435 2HG1 ILE 55 1HG1 ILE 55 4.309 17.277 -7.080 436 1HG2 ILE 55 1HG2 ILE 55 3.212 16.790 -3.514 437 2HG2 ILE 55 2HG2 ILE 55 2.513 17.922 -4.671 438 3HG2 ILE 55 3HG2 ILE 55 4.264 17.765 -4.540 439 1HD1 ILE 55 1HD1 ILE 55 2.301 15.245 -8.052 440 2HD1 ILE 55 2HD1 ILE 55 4.054 15.054 -8.067 441 3HD1 ILE 55 3HD1 ILE 55 3.295 16.296 -9.062 442 H VAL 56 H VAL 56 2.340 13.927 -5.087 443 HA VAL 56 HA VAL 56 2.942 12.020 -7.234 444 HB VAL 56 HB VAL 56 1.127 11.513 -4.864 445 1HG1 VAL 56 1HG1 VAL 56 1.979 9.705 -7.123 446 2HG1 VAL 56 2HG1 VAL 56 0.370 10.383 -6.875 447 3HG1 VAL 56 3HG1 VAL 56 1.022 9.217 -5.725 448 1HG2 VAL 56 1HG2 VAL 56 2.796 9.849 -4.171 449 2HG2 VAL 56 2HG2 VAL 56 3.447 11.488 -4.156 450 3HG2 VAL 56 3HG2 VAL 56 3.858 10.386 -5.471 451 H GLU 57 H GLU 57 1.707 12.429 -8.978 452 HA GLU 57 HA GLU 57 -0.555 14.229 -8.671 453 1HB GLU 57 2HB GLU 57 1.019 13.218 -11.010 454 2HB GLU 57 1HB GLU 57 -0.591 13.875 -11.272 455 1HG GLU 57 2HG GLU 57 1.749 15.297 -10.025 456 2HG GLU 57 1HG GLU 57 1.056 15.591 -11.623 457 H ASP 58 H ASP 58 0.099 11.000 -9.985 458 HA ASP 58 HA ASP 58 -2.586 10.233 -9.186 459 1HB ASP 58 2HB ASP 58 -2.514 11.180 -11.650 460 2HB ASP 58 1HB ASP 58 -1.907 9.567 -12.016 461 H ALA 59 H ALA 59 -2.951 7.850 -9.942 462 HA ALA 59 HA ALA 59 -0.624 6.182 -10.003 463 1HB ALA 59 1HB ALA 59 -0.603 6.847 -7.633 464 2HB ALA 59 2HB ALA 59 -0.949 5.128 -7.823 465 3HB ALA 59 3HB ALA 59 -2.257 6.256 -7.461 466 H LYS 60 H LYS 60 -1.206 4.273 -10.945 467 HA LYS 60 HA LYS 60 -4.060 3.593 -10.819 468 1HB LYS 60 2HB LYS 60 -2.206 3.460 -13.192 469 2HB LYS 60 1HB LYS 60 -3.697 2.530 -13.114 470 1HG LYS 60 2HG LYS 60 -3.413 5.527 -13.085 471 2HG LYS 60 1HG LYS 60 -4.128 4.523 -14.350 472 1HD LYS 60 2HD LYS 60 -5.849 3.794 -12.699 473 2HD LYS 60 1HD LYS 60 -5.180 4.958 -11.556 474 1HE LYS 60 2HE LYS 60 -6.460 5.539 -14.222 475 2HE LYS 60 1HE LYS 60 -7.104 5.920 -12.628 476 1HZ LYS 60 1HZ LYS 60 -5.001 7.330 -12.365 477 2HZ LYS 60 2HZ LYS 60 -6.225 7.910 -13.385 478 3HZ LYS 60 3HZ LYS 60 -4.845 7.182 -14.053 479 H PHE 61 H PHE 61 -4.426 1.790 -9.876 480 HA PHE 61 HA PHE 61 -2.205 -0.071 -9.473 481 1HB PHE 61 2HB PHE 61 -3.845 -0.834 -7.550 482 2HB PHE 61 1HB PHE 61 -2.815 0.579 -7.346 483 HD1 PHE 61 1HD PHE 61 -3.733 2.778 -7.219 484 HD2 PHE 61 2HD PHE 61 -6.258 -0.563 -7.962 485 HE1 PHE 61 1HE PHE 61 -5.706 4.176 -6.772 486 HE2 PHE 61 2HE PHE 61 -8.237 0.830 -7.519 487 HZ PHE 61 HZ PHE 61 -7.961 3.203 -6.924 488 H GLU 62 H GLU 62 -2.391 -1.442 -11.191 489 HA GLU 62 HA GLU 62 -4.911 -2.761 -11.707 490 1HB GLU 62 2HB GLU 62 -3.360 -2.427 -13.571 491 2HB GLU 62 1HB GLU 62 -2.129 -3.369 -12.740 492 1HG GLU 62 2HG GLU 62 -3.311 -5.372 -13.024 493 2HG GLU 62 1HG GLU 62 -4.799 -4.530 -13.452 494 H GLY 63 H GLY 63 -5.320 -3.458 -9.579 495 1HA GLY 63 2HA GLY 63 -3.496 -5.497 -8.513 496 2HA GLY 63 1HA GLY 63 -4.666 -4.581 -7.577 497 H GLU 64 H GLU 64 -4.000 -7.491 -8.959 498 HA GLU 64 HA GLU 64 -6.835 -8.293 -8.849 499 1HB GLU 64 2HB GLU 64 -5.890 -8.423 -11.144 500 2HB GLU 64 1HB GLU 64 -4.617 -9.476 -10.547 501 1HG GLU 64 2HG GLU 64 -6.404 -10.692 -11.697 502 2HG GLU 64 1HG GLU 64 -6.217 -11.189 -10.015 503 H GLY 65 H GLY 65 -7.205 -10.372 -7.838 504 1HA GLY 65 2HA GLY 65 -5.660 -12.269 -6.891 505 2HA GLY 65 1HA GLY 65 -5.092 -10.950 -5.881 506 H CYS 66 H CYS 66 -5.846 -11.299 -3.910 507 HA CYS 66 HA CYS 66 -8.610 -12.253 -3.659 508 1HB CYS 66 2HB CYS 66 -7.825 -12.619 -1.189 509 2HB CYS 66 1HB CYS 66 -7.365 -13.762 -2.443 510 HG CYS 66 HG CYS 66 -5.332 -12.989 -0.416 511 H SER 67 H SER 67 -9.259 -11.467 -1.140 512 HA SER 67 HA SER 67 -10.450 -9.034 -1.823 513 1HB SER 67 2HB SER 67 -10.268 -10.167 0.969 514 2HB SER 67 1HB SER 67 -11.557 -9.177 0.284 515 HG SER 67 HG SER 67 -12.023 -10.930 -1.149 516 H ILE 68 H ILE 68 -7.679 -9.735 0.267 517 HA ILE 68 HA ILE 68 -7.776 -7.099 1.413 518 HB ILE 68 HB ILE 68 -5.602 -7.813 2.541 519 1HG1 ILE 68 2HG1 ILE 68 -5.612 -10.451 2.682 520 2HG1 ILE 68 1HG1 ILE 68 -6.305 -10.329 1.070 521 1HG2 ILE 68 1HG2 ILE 68 -8.127 -9.383 3.016 522 2HG2 ILE 68 2HG2 ILE 68 -7.754 -7.778 3.647 523 3HG2 ILE 68 3HG2 ILE 68 -6.811 -9.173 4.173 524 1HD1 ILE 68 1HD1 ILE 68 -3.892 -10.655 1.000 525 2HD1 ILE 68 2HD1 ILE 68 -3.660 -9.178 1.937 526 3HD1 ILE 68 3HD1 ILE 68 -4.348 -9.094 0.315 527 H SER 69 H SER 69 -5.759 -8.730 -0.970 528 HA SER 69 HA SER 69 -3.622 -6.895 -0.868 529 1HB SER 69 2HB SER 69 -3.164 -8.005 -3.199 530 2HB SER 69 1HB SER 69 -3.045 -8.971 -1.727 531 HG SER 69 HG SER 69 -4.769 -9.205 -3.810 532 H MET 70 H MET 70 -6.235 -7.289 -3.242 533 HA MET 70 HA MET 70 -5.419 -5.067 -4.807 534 1HB MET 70 2HB MET 70 -7.546 -5.336 -5.986 535 2HB MET 70 1HB MET 70 -6.739 -6.880 -5.768 536 1HG MET 70 2HG MET 70 -8.925 -7.402 -5.301 537 2HG MET 70 1HG MET 70 -8.268 -7.110 -3.693 538 1HE MET 70 1HE MET 70 -11.954 -5.788 -3.414 539 2HE MET 70 2HE MET 70 -10.735 -6.841 -2.697 540 3HE MET 70 3HE MET 70 -11.367 -7.192 -4.306 541 H ALA 71 H ALA 71 -7.247 -5.346 -1.927 542 HA ALA 71 HA ALA 71 -8.608 -2.811 -2.249 543 1HB ALA 71 1HB ALA 71 -9.568 -3.253 -0.069 544 2HB ALA 71 2HB ALA 71 -8.481 -4.624 0.155 545 3HB ALA 71 3HB ALA 71 -9.717 -4.675 -1.102 546 H SER 72 H SER 72 -6.049 -4.149 -0.154 547 HA SER 72 HA SER 72 -5.625 -1.854 1.392 548 1HB SER 72 2HB SER 72 -3.347 -2.858 1.825 549 2HB SER 72 1HB SER 72 -4.701 -3.944 2.130 550 HG SER 72 HG SER 72 -3.428 -5.178 0.933 551 H ALA 73 H ALA 73 -4.014 -2.946 -1.559 552 HA ALA 73 HA ALA 73 -2.172 -0.880 -1.834 553 1HB ALA 73 1HB ALA 73 -2.068 -1.471 -4.183 554 2HB ALA 73 2HB ALA 73 -3.587 -2.357 -4.049 555 3HB ALA 73 3HB ALA 73 -2.155 -2.929 -3.193 556 H SER 74 H SER 74 -5.505 -1.126 -3.017 557 HA SER 74 HA SER 74 -5.594 1.322 -4.382 558 1HB SER 74 2HB SER 74 -7.846 -0.169 -3.009 559 2HB SER 74 1HB SER 74 -8.044 1.110 -4.202 560 HG SER 74 HG SER 74 -7.035 -1.507 -4.560 561 H MET 75 H MET 75 -5.953 0.540 -0.990 562 HA MET 75 HA MET 75 -7.230 3.042 -0.337 563 1HB MET 75 2HB MET 75 -7.740 1.006 0.943 564 2HB MET 75 1HB MET 75 -6.062 0.903 1.461 565 1HG MET 75 2HG MET 75 -6.274 2.954 2.705 566 2HG MET 75 1HG MET 75 -7.913 3.190 2.101 567 1HE MET 75 1HE MET 75 -7.118 3.279 5.218 568 2HE MET 75 2HE MET 75 -8.478 2.389 5.905 569 3HE MET 75 3HE MET 75 -8.748 3.548 4.604 570 H MET 76 H MET 76 -4.049 1.560 0.043 571 HA MET 76 HA MET 76 -2.961 3.834 1.393 572 1HB MET 76 2HB MET 76 -1.703 1.411 0.133 573 2HB MET 76 1HB MET 76 -0.753 2.682 0.895 574 1HG MET 76 2HG MET 76 -2.871 1.010 2.230 575 2HG MET 76 1HG MET 76 -1.127 0.834 2.422 576 1HE MET 76 1HE MET 76 -0.137 4.100 4.297 577 2HE MET 76 2HE MET 76 -0.077 3.776 2.566 578 3HE MET 76 3HE MET 76 0.412 2.528 3.714 579 H THR 77 H THR 77 -3.144 2.847 -1.980 580 HA THR 77 HA THR 77 -1.296 4.838 -2.891 581 HB THR 77 HB THR 77 -2.265 4.385 -5.158 582 HG1 THR 77 1HG THR 77 -3.643 2.219 -3.982 583 1HG2 THR 77 1HG2 THR 77 -1.362 2.117 -5.323 584 2HG2 THR 77 2HG2 THR 77 -1.400 1.971 -3.566 585 3HG2 THR 77 3HG2 THR 77 -0.330 3.147 -4.331 586 H GLN 78 H GLN 78 -4.587 4.851 -1.982 587 HA GLN 78 HA GLN 78 -5.411 7.143 -3.475 588 1HB GLN 78 2HB GLN 78 -7.030 5.506 -2.563 589 2HB GLN 78 1HB GLN 78 -6.562 5.955 -0.933 590 1HG GLN 78 2HG GLN 78 -7.508 8.142 -2.675 591 2HG GLN 78 1HG GLN 78 -8.706 6.946 -2.189 592 1HE2 GLN 78 1HE2 GLN 78 -6.626 9.513 -1.141 593 2HE2 GLN 78 2HE2 GLN 78 -7.264 9.655 0.461 594 H ALA 79 H ALA 79 -4.084 6.502 -0.310 595 HA ALA 79 HA ALA 79 -4.081 9.198 0.604 596 1HB ALA 79 1HB ALA 79 -3.981 7.301 2.148 597 2HB ALA 79 2HB ALA 79 -2.593 8.369 2.362 598 3HB ALA 79 3HB ALA 79 -2.410 6.846 1.491 599 H ILE 80 H ILE 80 -1.908 7.145 -1.211 600 HA ILE 80 HA ILE 80 0.330 8.929 -1.085 601 HB ILE 80 HB ILE 80 -0.289 6.564 -2.835 602 1HG1 ILE 80 2HG1 ILE 80 0.356 6.082 -0.545 603 2HG1 ILE 80 1HG1 ILE 80 1.674 5.632 -1.627 604 1HG2 ILE 80 1HG2 ILE 80 1.981 6.754 -3.766 605 2HG2 ILE 80 2HG2 ILE 80 2.164 8.314 -2.963 606 3HG2 ILE 80 3HG2 ILE 80 0.957 8.112 -4.231 607 1HD1 ILE 80 1HD1 ILE 80 1.504 8.162 -0.012 608 2HD1 ILE 80 2HD1 ILE 80 2.821 7.713 -1.095 609 3HD1 ILE 80 3HD1 ILE 80 2.507 6.758 0.355 610 H LYS 81 H LYS 81 -2.236 8.327 -3.410 611 HA LYS 81 HA LYS 81 -1.409 10.049 -5.446 612 1HB LYS 81 2HB LYS 81 -3.229 8.521 -5.812 613 2HB LYS 81 1HB LYS 81 -4.190 9.279 -4.550 614 1HG LYS 81 2HG LYS 81 -4.407 11.290 -5.879 615 2HG LYS 81 1HG LYS 81 -3.363 10.607 -7.124 616 1HD LYS 81 2HD LYS 81 -4.969 9.004 -7.743 617 2HD LYS 81 1HD LYS 81 -5.913 9.261 -6.273 618 1HE LYS 81 2HE LYS 81 -6.945 10.270 -8.284 619 2HE LYS 81 1HE LYS 81 -6.581 11.446 -7.024 620 1HZ LYS 81 1HZ LYS 81 -4.578 12.068 -8.240 621 2HZ LYS 81 2HZ LYS 81 -5.963 12.285 -9.187 622 3HZ LYS 81 3HZ LYS 81 -4.956 10.954 -9.466 623 H GLY 82 H GLY 82 -2.428 10.832 -2.291 624 1HA GLY 82 2HA GLY 82 -3.040 13.606 -3.137 625 2HA GLY 82 1HA GLY 82 -3.762 12.835 -1.730 626 H LYS 83 H LYS 83 -0.402 12.396 -2.540 627 HA LYS 83 HA LYS 83 0.322 14.008 -0.186 628 1HB LYS 83 2HB LYS 83 0.475 11.172 -0.504 629 2HB LYS 83 1HB LYS 83 2.112 11.806 -0.444 630 1HG LYS 83 2HG LYS 83 1.422 11.189 1.763 631 2HG LYS 83 1HG LYS 83 1.554 12.944 1.677 632 1HD LYS 83 2HD LYS 83 -0.848 13.151 1.479 633 2HD LYS 83 1HD LYS 83 -1.026 11.396 1.422 634 1HE LYS 83 2HE LYS 83 -0.118 11.230 3.687 635 2HE LYS 83 1HE LYS 83 0.077 12.979 3.743 636 1HZ LYS 83 1HZ LYS 83 -1.940 12.148 4.879 637 2HZ LYS 83 2HZ LYS 83 -2.537 11.608 3.388 638 3HZ LYS 83 3HZ LYS 83 -2.279 13.265 3.649 639 H ASP 84 H ASP 84 3.013 13.638 -0.215 640 HA ASP 84 HA ASP 84 3.915 14.544 -2.841 641 1HB ASP 84 2HB ASP 84 5.378 15.275 -0.319 642 2HB ASP 84 1HB ASP 84 5.342 16.120 -1.859 643 H ILE 85 H ILE 85 6.582 14.368 -2.244 644 HA ILE 85 HA ILE 85 6.884 11.497 -1.973 645 HB ILE 85 HB ILE 85 8.951 13.580 -2.694 646 1HG1 ILE 85 2HG1 ILE 85 7.409 13.473 -4.471 647 2HG1 ILE 85 1HG1 ILE 85 8.687 12.361 -4.955 648 1HG2 ILE 85 1HG2 ILE 85 10.344 11.681 -3.376 649 2HG2 ILE 85 2HG2 ILE 85 9.120 10.563 -2.771 650 3HG2 ILE 85 3HG2 ILE 85 9.979 11.622 -1.651 651 1HD1 ILE 85 1HD1 ILE 85 7.332 10.475 -4.185 652 2HD1 ILE 85 2HD1 ILE 85 6.485 11.429 -5.403 653 3HD1 ILE 85 3HD1 ILE 85 6.056 11.593 -3.701 654 H GLU 86 H GLU 86 7.842 14.461 -0.347 655 HA GLU 86 HA GLU 86 9.438 13.372 1.678 656 1HB GLU 86 2HB GLU 86 9.200 15.796 1.245 657 2HB GLU 86 1HB GLU 86 7.548 15.734 1.842 658 1HG GLU 86 2HG GLU 86 8.832 16.594 3.604 659 2HG GLU 86 1HG GLU 86 8.505 14.915 4.029 660 H THR 87 H THR 87 5.954 13.995 1.582 661 HA THR 87 HA THR 87 5.438 13.017 4.184 662 HB THR 87 HB THR 87 3.020 12.852 3.168 663 HG1 THR 87 1HG THR 87 3.475 14.774 1.379 664 1HG2 THR 87 1HG2 THR 87 3.783 14.569 4.753 665 2HG2 THR 87 2HG2 THR 87 2.723 15.251 3.522 666 3HG2 THR 87 3HG2 THR 87 4.466 15.496 3.418 667 H ALA 88 H ALA 88 5.515 11.506 1.011 668 HA ALA 88 HA ALA 88 4.350 9.038 1.816 669 1HB ALA 88 1HB ALA 88 6.209 9.583 -0.497 670 2HB ALA 88 2HB ALA 88 4.454 9.746 -0.533 671 3HB ALA 88 3HB ALA 88 5.186 8.160 -0.291 672 H LEU 89 H LEU 89 7.681 10.193 1.479 673 HA LEU 89 HA LEU 89 8.938 7.779 2.233 674 1HB LEU 89 2HB LEU 89 9.917 10.627 2.435 675 2HB LEU 89 1HB LEU 89 10.920 9.212 2.683 676 HG LEU 89 HG LEU 89 9.577 10.019 0.105 677 1HD1 LEU 89 1HD1 LEU 89 12.470 9.938 0.933 678 2HD1 LEU 89 2HD1 LEU 89 11.501 11.380 0.627 679 3HD1 LEU 89 3HD1 LEU 89 11.881 10.277 -0.695 680 1HD2 LEU 89 1HD2 LEU 89 11.325 7.640 0.702 681 2HD2 LEU 89 2HD2 LEU 89 10.754 8.128 -0.893 682 3HD2 LEU 89 3HD2 LEU 89 9.601 7.598 0.332 683 H SER 90 H SER 90 7.752 10.531 4.072 684 HA SER 90 HA SER 90 8.810 9.745 6.578 685 1HB SER 90 2HB SER 90 8.052 12.040 6.176 686 2HB SER 90 1HB SER 90 6.403 11.468 5.931 687 HG SER 90 HG SER 90 7.798 10.944 8.339 688 H MET 91 H MET 91 5.680 9.240 5.002 689 HA MET 91 HA MET 91 4.357 7.932 7.079 690 1HB MET 91 2HB MET 91 3.235 8.747 5.060 691 2HB MET 91 1HB MET 91 4.065 7.538 4.092 692 1HG MET 91 2HG MET 91 2.920 5.774 5.398 693 2HG MET 91 1HG MET 91 2.020 7.034 6.242 694 1HE MET 91 1HE MET 91 -0.078 8.621 3.342 695 2HE MET 91 2HE MET 91 1.492 9.148 3.946 696 3HE MET 91 3HE MET 91 0.244 8.623 5.077 697 H SER 92 H SER 92 6.651 6.726 4.736 698 HA SER 92 HA SER 92 6.200 3.975 5.485 699 1HB SER 92 2HB SER 92 8.082 3.632 3.769 700 2HB SER 92 1HB SER 92 6.536 4.236 3.171 701 HG SER 92 HG SER 92 7.434 6.086 2.683 702 H LYS 93 H LYS 93 8.499 6.578 5.973 703 HA LYS 93 HA LYS 93 10.557 5.089 7.185 704 1HB LYS 93 2HB LYS 93 10.815 7.457 6.526 705 2HB LYS 93 1HB LYS 93 9.688 7.927 7.791 706 1HG LYS 93 2HG LYS 93 11.209 7.228 9.500 707 2HG LYS 93 1HG LYS 93 12.296 6.515 8.305 708 1HD LYS 93 2HD LYS 93 12.626 8.780 7.332 709 2HD LYS 93 1HD LYS 93 11.643 9.443 8.639 710 1HE LYS 93 2HE LYS 93 13.235 8.751 10.279 711 2HE LYS 93 1HE LYS 93 14.147 7.830 9.085 712 1HZ LYS 93 1HZ LYS 93 15.204 9.952 9.602 713 2HZ LYS 93 2HZ LYS 93 13.821 10.787 9.083 714 3HZ LYS 93 3HZ LYS 93 14.732 9.883 7.973 715 H ILE 94 H ILE 94 7.736 6.755 8.573 716 HA ILE 94 HA ILE 94 8.172 5.672 11.177 717 HB ILE 94 HB ILE 94 6.855 7.739 10.845 718 1HG1 ILE 94 2HG1 ILE 94 5.332 5.478 12.157 719 2HG1 ILE 94 1HG1 ILE 94 6.611 6.428 12.904 720 1HG2 ILE 94 1HG2 ILE 94 5.655 7.154 8.820 721 2HG2 ILE 94 2HG2 ILE 94 4.524 7.605 10.097 722 3HG2 ILE 94 3HG2 ILE 94 4.762 5.905 9.689 723 1HD1 ILE 94 1HD1 ILE 94 3.943 7.479 11.991 724 2HD1 ILE 94 2HD1 ILE 94 5.221 8.424 12.756 725 3HD1 ILE 94 3HD1 ILE 94 4.415 7.138 13.656 726 H PHE 95 H PHE 95 6.408 4.617 8.301 727 HA PHE 95 HA PHE 95 4.840 2.605 9.459 728 1HB PHE 95 2HB PHE 95 4.819 3.379 7.033 729 2HB PHE 95 1HB PHE 95 6.220 2.345 6.782 730 HD1 PHE 95 1HD PHE 95 5.994 -0.110 6.992 731 HD2 PHE 95 2HD PHE 95 2.631 2.488 7.191 732 HE1 PHE 95 1HE PHE 95 4.501 -2.019 6.566 733 HE2 PHE 95 2HE PHE 95 1.131 0.584 6.765 734 HZ PHE 95 HZ PHE 95 2.065 -1.672 6.454 735 H SER 96 H SER 96 8.185 2.475 8.295 736 HA SER 96 HA SER 96 8.538 -0.255 9.116 737 1HB SER 96 2HB SER 96 10.575 1.830 8.300 738 2HB SER 96 1HB SER 96 10.899 0.109 8.500 739 HG SER 96 HG SER 96 8.812 0.866 6.792 740 H ASP 97 H ASP 97 9.157 2.912 10.482 741 HA ASP 97 HA ASP 97 10.952 2.139 12.516 742 1HB ASP 97 2HB ASP 97 10.596 4.475 11.753 743 2HB ASP 97 1HB ASP 97 9.017 4.464 12.530 744 H MET 98 H MET 98 7.463 2.112 12.319 745 HA MET 98 HA MET 98 6.725 1.835 14.975 746 1HB MET 98 2HB MET 98 5.572 0.467 12.539 747 2HB MET 98 1HB MET 98 4.803 0.476 14.118 748 1HG MET 98 2HG MET 98 4.578 2.884 14.028 749 2HG MET 98 1HG MET 98 5.425 2.924 12.481 750 1HE MET 98 1HE MET 98 2.803 0.216 13.646 751 2HE MET 98 2HE MET 98 1.300 0.935 13.074 752 3HE MET 98 3HE MET 98 2.206 1.707 14.375 753 H MET 99 H MET 99 8.258 -0.474 12.870 754 HA MET 99 HA MET 99 7.548 -2.783 14.423 755 1HB MET 99 2HB MET 99 7.909 -2.871 11.974 756 2HB MET 99 1HB MET 99 9.604 -2.482 12.224 757 1HG MET 99 2HG MET 99 9.923 -4.560 13.436 758 2HG MET 99 1HG MET 99 8.213 -4.945 13.255 759 1HE MET 99 1HE MET 99 11.243 -4.779 9.770 760 2HE MET 99 2HE MET 99 11.679 -4.571 11.466 761 3HE MET 99 3HE MET 99 10.711 -3.345 10.648 762 H GLN 100 H GLN 100 9.972 -0.400 14.601 763 HA GLN 100 HA GLN 100 11.809 -2.147 16.074 764 1HB GLN 100 2HB GLN 100 12.103 0.621 14.925 765 2HB GLN 100 1HB GLN 100 13.232 0.007 16.120 766 1HG GLN 100 2HG GLN 100 14.194 -0.314 13.980 767 2HG GLN 100 1HG GLN 100 13.712 -1.895 14.586 768 1HE2 GLN 100 1HE2 GLN 100 13.013 0.643 12.316 769 2HE2 GLN 100 2HE2 GLN 100 11.999 -0.301 11.276 770 H GLY 101 H GLY 101 9.827 0.731 16.374 771 1HA GLY 101 2HA GLY 101 10.505 1.273 19.086 772 2HA GLY 101 1HA GLY 101 9.109 1.900 18.218 773 H LYS 102 H LYS 102 7.433 0.127 17.739 774 HA LYS 102 HA LYS 102 6.899 -2.078 19.259 775 1HB LYS 102 2HB LYS 102 6.461 0.403 20.843 776 2HB LYS 102 1HB LYS 102 5.175 -0.791 20.897 777 1HG LYS 102 2HG LYS 102 8.045 -1.162 21.721 778 2HG LYS 102 1HG LYS 102 6.619 -1.138 22.760 779 1HD LYS 102 2HD LYS 102 5.806 -3.182 21.708 780 2HD LYS 102 1HD LYS 102 7.210 -3.198 20.637 781 1HE LYS 102 2HE LYS 102 7.213 -3.469 23.639 782 2HE LYS 102 1HE LYS 102 7.573 -4.733 22.464 783 1HZ LYS 102 1HZ LYS 102 9.163 -2.273 22.961 784 2HZ LYS 102 2HZ LYS 102 9.489 -3.394 21.729 785 3HZ LYS 102 3HZ LYS 102 9.605 -3.860 23.358 786 H GLU 103 H GLU 103 4.855 0.778 19.339 787 HA GLU 103 HA GLU 103 3.309 0.136 17.034 788 1HB GLU 103 2HB GLU 103 2.466 -1.637 18.478 789 2HB GLU 103 1HB GLU 103 2.163 -0.485 19.770 790 1HG GLU 103 2HG GLU 103 0.476 0.615 18.358 791 2HG GLU 103 1HG GLU 103 0.754 -0.602 17.111 792 H TYR 104 H TYR 104 3.021 2.180 16.363 793 HA TYR 104 HA TYR 104 1.502 4.068 17.767 794 1HB TYR 104 2HB TYR 104 3.318 5.804 18.038 795 2HB TYR 104 1HB TYR 104 3.405 4.465 19.177 796 HD1 TYR 104 1HD TYR 104 4.904 5.842 16.070 797 HD2 TYR 104 2HD TYR 104 5.320 3.093 19.291 798 HE1 TYR 104 1HE TYR 104 7.233 5.424 15.405 799 HE2 TYR 104 2HE TYR 104 7.646 2.669 18.632 800 HH TYR 104 HH TYR 104 9.198 4.501 16.044 801 H ASP 105 H ASP 105 0.830 5.624 16.387 802 HA ASP 105 HA ASP 105 2.364 6.117 13.978 803 1HB ASP 105 2HB ASP 105 0.534 4.703 13.224 804 2HB ASP 105 1HB ASP 105 -0.637 5.731 14.052 805 H ASP 106 H ASP 106 2.591 8.128 13.554 806 HA ASP 106 HA ASP 106 2.134 10.133 15.418 807 1HB ASP 106 2HB ASP 106 3.877 10.171 13.644 808 2HB ASP 106 1HB ASP 106 2.621 10.495 12.457 809 H SER 107 H SER 107 0.062 9.006 12.845 810 HA SER 107 HA SER 107 -1.711 11.316 13.269 811 1HB SER 107 2HB SER 107 -1.755 9.308 11.004 812 2HB SER 107 1HB SER 107 -2.688 10.801 11.113 813 HG SER 107 HG SER 107 0.036 10.422 10.583 814 H ILE 108 H ILE 108 -1.347 8.061 14.062 815 HA ILE 108 HA ILE 108 -2.668 6.551 15.132 816 HB ILE 108 HB ILE 108 -4.494 8.944 15.294 817 1HG1 ILE 108 2HG1 ILE 108 -4.148 8.514 17.769 818 2HG1 ILE 108 1HG1 ILE 108 -2.954 7.310 17.307 819 1HG2 ILE 108 1HG2 ILE 108 -6.016 7.064 15.067 820 2HG2 ILE 108 2HG2 ILE 108 -6.057 7.712 16.707 821 3HG2 ILE 108 3HG2 ILE 108 -5.184 6.215 16.370 822 1HD1 ILE 108 1HD1 ILE 108 -2.842 10.248 16.669 823 2HD1 ILE 108 2HD1 ILE 108 -1.640 9.045 16.204 824 3HD1 ILE 108 3HD1 ILE 108 -1.908 9.408 17.907 825 H ASP 109 H ASP 109 -2.859 7.492 12.143 826 HA ASP 109 HA ASP 109 -5.436 6.387 11.355 827 1HB ASP 109 2HB ASP 109 -4.481 8.487 10.328 828 2HB ASP 109 1HB ASP 109 -3.244 7.484 9.578 829 H LEU 110 H LEU 110 -5.033 4.239 12.021 830 HA LEU 110 HA LEU 110 -2.919 2.804 10.563 831 1HB LEU 110 2HB LEU 110 -4.307 2.170 13.165 832 2HB LEU 110 1HB LEU 110 -3.132 1.123 12.394 833 HG LEU 110 HG LEU 110 -2.526 3.933 13.305 834 1HD1 LEU 110 1HD1 LEU 110 -1.984 1.311 14.688 835 2HD1 LEU 110 2HD1 LEU 110 -3.099 2.567 15.226 836 3HD1 LEU 110 3HD1 LEU 110 -1.365 2.885 15.187 837 1HD2 LEU 110 1HD2 LEU 110 -0.751 1.647 12.471 838 2HD2 LEU 110 2HD2 LEU 110 -0.207 3.219 13.057 839 3HD2 LEU 110 3HD2 LEU 110 -1.084 3.101 11.532 840 H GLY 111 H GLY 111 -5.733 3.412 9.659 841 1HA GLY 111 2HA GLY 111 -7.497 1.311 9.878 842 2HA GLY 111 1HA GLY 111 -7.375 2.341 8.462 843 H ASP 112 H ASP 112 -5.194 1.707 7.184 844 HA ASP 112 HA ASP 112 -5.667 -1.003 6.313 845 1HB ASP 112 2HB ASP 112 -5.249 0.726 4.643 846 2HB ASP 112 1HB ASP 112 -3.676 1.068 5.361 847 H ILE 113 H ILE 113 -3.250 0.731 8.125 848 HA ILE 113 HA ILE 113 -1.087 -1.007 7.827 849 HB ILE 113 HB ILE 113 -1.706 0.792 10.176 850 1HG1 ILE 113 2HG1 ILE 113 -0.120 1.309 7.650 851 2HG1 ILE 113 1HG1 ILE 113 -1.706 1.975 8.015 852 1HG2 ILE 113 1HG2 ILE 113 0.911 -0.386 9.243 853 2HG2 ILE 113 2HG2 ILE 113 0.028 -0.845 10.698 854 3HG2 ILE 113 3HG2 ILE 113 0.716 0.773 10.558 855 1HD1 ILE 113 1HD1 ILE 113 0.832 2.525 9.530 856 2HD1 ILE 113 2HD1 ILE 113 -0.758 3.191 9.903 857 3HD1 ILE 113 3HD1 ILE 113 0.041 3.609 8.387 858 H GLU 114 H GLU 114 -3.725 -0.988 10.201 859 HA GLU 114 HA GLU 114 -2.591 -3.190 11.670 860 1HB GLU 114 2HB GLU 114 -5.266 -1.815 11.818 861 2HB GLU 114 1HB GLU 114 -4.883 -3.229 12.791 862 1HG GLU 114 2HG GLU 114 -2.923 -1.979 13.700 863 2HG GLU 114 1HG GLU 114 -3.513 -0.553 12.846 864 H ALA 115 H ALA 115 -4.659 -2.858 8.925 865 HA ALA 115 HA ALA 115 -5.720 -5.532 9.068 866 1HB ALA 115 1HB ALA 115 -5.668 -3.613 6.736 867 2HB ALA 115 2HB ALA 115 -6.955 -3.733 7.938 868 3HB ALA 115 3HB ALA 115 -6.628 -5.088 6.856 869 H LEU 116 H LEU 116 -3.173 -3.864 7.291 870 HA LEU 116 HA LEU 116 -2.378 -6.033 5.669 871 1HB LEU 116 2HB LEU 116 -1.827 -3.587 5.362 872 2HB LEU 116 1HB LEU 116 -0.657 -3.757 6.653 873 HG LEU 116 HG LEU 116 0.534 -5.468 5.284 874 1HD1 LEU 116 1HD1 LEU 116 -1.334 -6.177 3.890 875 2HD1 LEU 116 2HD1 LEU 116 0.017 -5.615 2.903 876 3HD1 LEU 116 3HD1 LEU 116 -1.391 -4.580 3.143 877 1HD2 LEU 116 1HD2 LEU 116 0.177 -2.764 3.992 878 2HD2 LEU 116 2HD2 LEU 116 1.537 -3.859 3.744 879 3HD2 LEU 116 3HD2 LEU 116 1.266 -3.134 5.328 880 H GLN 117 H GLN 117 -1.434 -4.968 8.892 881 HA GLN 117 HA GLN 117 0.757 -6.788 9.142 882 1HB GLN 117 2HB GLN 117 0.982 -5.997 11.345 883 2HB GLN 117 1HB GLN 117 0.374 -4.615 10.446 884 1HG GLN 117 2HG GLN 117 -1.922 -5.236 11.239 885 2HG GLN 117 1HG GLN 117 -1.159 -6.421 12.297 886 1HE2 GLN 117 1HE2 GLN 117 0.112 -3.252 11.496 887 2HE2 GLN 117 2HE2 GLN 117 -0.020 -2.598 13.091 888 H GLY 118 H GLY 118 -2.657 -7.019 9.567 889 1HA GLY 118 2HA GLY 118 -2.770 -9.126 11.447 890 2HA GLY 118 1HA GLY 118 -4.032 -8.702 10.300 891 H VAL 119 H VAL 119 -2.839 -9.149 7.904 892 HA VAL 119 HA VAL 119 -2.866 -12.036 7.825 893 HB VAL 119 HB VAL 119 -2.730 -11.731 5.348 894 1HG1 VAL 119 1HG1 VAL 119 -4.878 -11.914 6.461 895 2HG1 VAL 119 2HG1 VAL 119 -4.979 -10.776 5.117 896 3HG1 VAL 119 3HG1 VAL 119 -4.886 -10.178 6.773 897 1HG2 VAL 119 1HG2 VAL 119 -2.835 -8.797 6.050 898 2HG2 VAL 119 2HG2 VAL 119 -3.026 -9.471 4.432 899 3HG2 VAL 119 3HG2 VAL 119 -1.490 -9.640 5.280 900 H SER 120 H SER 120 -0.537 -9.609 7.962 901 HA SER 120 HA SER 120 1.581 -10.449 6.441 902 1HB SER 120 2HB SER 120 1.507 -8.300 7.596 903 2HB SER 120 1HB SER 120 1.690 -9.116 9.148 904 HG SER 120 HG SER 120 3.682 -10.020 7.872 905 H LYS 121 H LYS 121 0.318 -12.465 8.818 906 HA LYS 121 HA LYS 121 3.011 -13.269 9.691 907 1HB LYS 121 2HB LYS 121 2.082 -13.793 11.931 908 2HB LYS 121 1HB LYS 121 2.048 -12.082 11.542 909 1HG LYS 121 2HG LYS 121 -0.313 -12.170 11.109 910 2HG LYS 121 1HG LYS 121 -0.323 -13.924 11.307 911 1HD LYS 121 2HD LYS 121 0.316 -13.688 13.641 912 2HD LYS 121 1HD LYS 121 0.422 -11.937 13.455 913 1HE LYS 121 2HE LYS 121 -2.097 -13.534 13.015 914 2HE LYS 121 1HE LYS 121 -1.679 -12.749 14.537 915 1HZ LYS 121 1HZ LYS 121 -3.166 -11.393 13.184 916 2HZ LYS 121 2HZ LYS 121 -2.022 -11.360 11.935 917 3HZ LYS 121 3HZ LYS 121 -1.672 -10.621 13.421 918 H PHE 122 H PHE 122 -0.161 -14.181 8.727 919 HA PHE 122 HA PHE 122 0.144 -16.968 9.277 920 1HB PHE 122 2HB PHE 122 -1.707 -15.579 7.324 921 2HB PHE 122 1HB PHE 122 -1.861 -17.234 7.903 922 HD1 PHE 122 1HD PHE 122 -1.949 -17.429 10.557 923 HD2 PHE 122 2HD PHE 122 -3.012 -13.980 8.303 924 HE1 PHE 122 1HE PHE 122 -3.338 -16.639 12.425 925 HE2 PHE 122 2HE PHE 122 -4.401 -13.184 10.166 926 HZ PHE 122 HZ PHE 122 -4.566 -14.510 12.235 927 HA PRO 123 HA PRO 123 3.112 -17.910 6.133 928 1HB PRO 123 2HB PRO 123 1.538 -20.444 5.986 929 2HB PRO 123 1HB PRO 123 3.284 -20.210 6.135 930 1HG PRO 123 2HG PRO 123 1.843 -20.918 8.250 931 2HG PRO 123 1HG PRO 123 3.161 -19.741 8.406 932 1HD PRO 123 2HD PRO 123 0.213 -19.296 8.389 933 2HD PRO 123 1HD PRO 123 1.479 -18.439 9.290 934 H ALA 124 H ALA 124 -0.336 -18.391 5.594 935 HA ALA 124 HA ALA 124 0.069 -18.520 2.719 936 1HB ALA 124 1HB ALA 124 -2.316 -18.970 2.586 937 2HB ALA 124 2HB ALA 124 -2.484 -18.657 4.313 938 3HB ALA 124 3HB ALA 124 -1.540 -20.038 3.756 939 H ARG 125 H ARG 125 -0.426 -16.000 5.032 940 HA ARG 125 HA ARG 125 -1.841 -14.413 2.975 941 1HB ARG 125 2HB ARG 125 -1.860 -13.792 5.922 942 2HB ARG 125 1HB ARG 125 -2.973 -13.240 4.680 943 1HG ARG 125 2HG ARG 125 -2.773 -16.084 5.649 944 2HG ARG 125 1HG ARG 125 -3.941 -14.903 6.236 945 1HD ARG 125 2HD ARG 125 -4.920 -14.729 4.028 946 2HD ARG 125 1HD ARG 125 -3.691 -15.810 3.370 947 HE ARG 125 HE ARG 125 -4.653 -17.577 4.785 948 1HH1 ARG 125 1HH1 ARG 125 -6.619 -14.751 4.140 949 2HH1 ARG 125 2HH1 ARG 125 -8.126 -15.576 4.400 950 1HH2 ARG 125 1HH2 ARG 125 -6.612 -18.672 5.100 951 2HH2 ARG 125 2HH2 ARG 125 -8.117 -17.824 4.930 952 H ILE 126 H ILE 126 1.080 -14.942 4.270 953 HA ILE 126 HA ILE 126 1.833 -12.299 5.131 954 HB ILE 126 HB ILE 126 2.888 -14.159 6.249 955 1HG1 ILE 126 2HG1 ILE 126 4.899 -12.813 4.429 956 2HG1 ILE 126 1HG1 ILE 126 4.270 -12.139 5.928 957 1HG2 ILE 126 1HG2 ILE 126 2.689 -15.829 4.509 958 2HG2 ILE 126 2HG2 ILE 126 4.356 -15.737 5.079 959 3HG2 ILE 126 3HG2 ILE 126 3.906 -14.996 3.543 960 1HD1 ILE 126 1HD1 ILE 126 5.283 -13.992 7.166 961 2HD1 ILE 126 2HD1 ILE 126 6.476 -13.059 6.265 962 3HD1 ILE 126 3HD1 ILE 126 5.940 -14.627 5.659 963 H LYS 127 H LYS 127 2.037 -14.263 2.318 964 HA LYS 127 HA LYS 127 3.959 -12.572 1.003 965 1HB LYS 127 2HB LYS 127 3.231 -14.149 -0.981 966 2HB LYS 127 1HB LYS 127 4.284 -14.721 0.303 967 1HG LYS 127 2HG LYS 127 2.069 -15.492 1.422 968 2HG LYS 127 1HG LYS 127 1.412 -15.353 -0.211 969 1HD LYS 127 2HD LYS 127 3.141 -16.866 -1.042 970 2HD LYS 127 1HD LYS 127 3.824 -16.988 0.578 971 1HE LYS 127 2HE LYS 127 1.625 -17.908 1.341 972 2HE LYS 127 1HE LYS 127 1.119 -17.949 -0.346 973 1HZ LYS 127 1HZ LYS 127 1.916 -20.084 0.109 974 2HZ LYS 127 2HZ LYS 127 3.265 -19.508 0.965 975 3HZ LYS 127 3HZ LYS 127 3.199 -19.336 -0.720 976 H CYS 128 H CYS 128 0.547 -12.701 1.329 977 HA CYS 128 HA CYS 128 0.090 -10.943 -0.941 978 1HB CYS 128 2HB CYS 128 -1.719 -12.044 1.206 979 2HB CYS 128 1HB CYS 128 -2.255 -10.783 0.101 980 HG CYS 128 HG CYS 128 -2.698 -13.841 -0.324 981 H ALA 129 H ALA 129 0.647 -10.801 2.474 982 HA ALA 129 HA ALA 129 -0.123 -8.060 2.811 983 1HB ALA 129 1HB ALA 129 -0.109 -9.621 4.695 984 2HB ALA 129 2HB ALA 129 0.950 -8.244 4.996 985 3HB ALA 129 3HB ALA 129 1.638 -9.801 4.534 986 H THR 130 H THR 130 2.989 -9.763 2.583 987 HA THR 130 HA THR 130 4.578 -7.425 2.552 988 HB THR 130 HB THR 130 6.314 -8.940 1.472 989 HG1 THR 130 1HG THR 130 4.583 -11.070 2.136 990 1HG2 THR 130 1HG2 THR 130 6.186 -8.569 3.898 991 2HG2 THR 130 2HG2 THR 130 6.697 -10.212 3.516 992 3HG2 THR 130 3HG2 THR 130 5.041 -9.903 4.036 993 H LEU 131 H LEU 131 2.793 -9.135 0.129 994 HA LEU 131 HA LEU 131 3.846 -8.138 -2.217 995 1HB LEU 131 2HB LEU 131 2.030 -9.823 -1.977 996 2HB LEU 131 1HB LEU 131 0.928 -8.529 -1.559 997 HG LEU 131 HG LEU 131 2.365 -8.450 -4.184 998 1HD1 LEU 131 1HD1 LEU 131 -0.138 -10.013 -3.562 999 2HD1 LEU 131 2HD1 LEU 131 1.422 -10.695 -4.018 1000 3HD1 LEU 131 3HD1 LEU 131 0.516 -9.716 -5.172 1001 1HD2 LEU 131 1HD2 LEU 131 0.311 -7.300 -4.865 1002 2HD2 LEU 131 2HD2 LEU 131 1.069 -6.506 -3.486 1003 3HD2 LEU 131 3HD2 LEU 131 -0.349 -7.526 -3.245 1004 H SER 132 H SER 132 1.020 -6.733 -0.518 1005 HA SER 132 HA SER 132 1.039 -4.339 -1.996 1006 1HB SER 132 2HB SER 132 -0.103 -4.817 0.766 1007 2HB SER 132 1HB SER 132 -0.551 -3.515 -0.334 1008 HG SER 132 HG SER 132 -2.057 -4.973 -0.772 1009 H TRP 133 H TRP 133 2.634 -5.295 0.954 1010 HA TRP 133 HA TRP 133 3.330 -2.718 1.893 1011 1HB TRP 133 2HB TRP 133 3.296 -4.741 3.310 1012 2HB TRP 133 1HB TRP 133 4.649 -5.402 2.403 1013 HD1 TRP 133 HD TRP 133 5.212 -1.791 2.991 1014 HE1 TRP 133 1HE TRP 133 6.859 -1.437 4.935 1015 HE3 TRP 133 3HE TRP 133 5.209 -6.528 4.909 1016 HZ2 TRP 133 2HZ TRP 133 7.988 -2.970 7.024 1017 HZ3 TRP 133 3HZ TRP 133 6.597 -7.000 6.885 1018 HH2 TRP 133 HH TRP 133 7.957 -5.258 7.919 1019 H LYS 134 H LYS 134 5.276 -5.200 0.235 1020 HA LYS 134 HA LYS 134 7.576 -3.551 0.019 1021 1HB LYS 134 2HB LYS 134 6.810 -6.058 -1.491 1022 2HB LYS 134 1HB LYS 134 8.396 -5.303 -1.551 1023 1HG LYS 134 2HG LYS 134 7.117 -6.326 0.973 1024 2HG LYS 134 1HG LYS 134 8.232 -7.261 -0.026 1025 1HD LYS 134 2HD LYS 134 8.873 -4.602 1.247 1026 2HD LYS 134 1HD LYS 134 9.331 -6.173 1.911 1027 1HE LYS 134 2HE LYS 134 10.596 -6.645 -0.153 1028 2HE LYS 134 1HE LYS 134 10.175 -5.043 -0.755 1029 1HZ LYS 134 1HZ LYS 134 12.382 -5.075 0.204 1030 2HZ LYS 134 2HZ LYS 134 11.763 -5.612 1.689 1031 3HZ LYS 134 3HZ LYS 134 11.360 -4.069 1.112 1032 H ALA 135 H ALA 135 4.809 -4.104 -2.062 1033 HA ALA 135 HA ALA 135 5.949 -3.012 -4.420 1034 1HB ALA 135 1HB ALA 135 3.663 -2.944 -5.277 1035 2HB ALA 135 2HB ALA 135 3.042 -3.272 -3.659 1036 3HB ALA 135 3HB ALA 135 4.007 -4.487 -4.496 1037 H LEU 136 H LEU 136 4.195 -1.615 -1.706 1038 HA LEU 136 HA LEU 136 3.804 0.905 -3.054 1039 1HB LEU 136 2HB LEU 136 2.315 -0.133 -1.220 1040 2HB LEU 136 1HB LEU 136 3.524 0.454 -0.093 1041 HG LEU 136 HG LEU 136 3.130 2.768 -1.004 1042 1HD1 LEU 136 1HD1 LEU 136 0.765 1.434 -2.322 1043 2HD1 LEU 136 2HD1 LEU 136 2.152 2.135 -3.157 1044 3HD1 LEU 136 3HD1 LEU 136 1.059 3.171 -2.239 1045 1HD2 LEU 136 1HD2 LEU 136 2.135 2.019 1.096 1046 2HD2 LEU 136 2HD2 LEU 136 0.757 1.362 0.212 1047 3HD2 LEU 136 3HD2 LEU 136 1.048 3.101 0.225 1048 H GLU 137 H GLU 137 5.983 -0.435 -0.613 1049 HA GLU 137 HA GLU 137 7.367 2.005 -0.111 1050 1HB GLU 137 2HB GLU 137 8.239 -0.860 0.294 1051 2HB GLU 137 1HB GLU 137 9.154 0.536 0.839 1052 1HG GLU 137 2HG GLU 137 7.114 1.178 2.187 1053 2HG GLU 137 1HG GLU 137 6.484 -0.426 1.810 1054 H LYS 138 H LYS 138 7.474 -0.306 -2.658 1055 HA LYS 138 HA LYS 138 10.168 0.427 -3.466 1056 1HB LYS 138 2HB LYS 138 9.441 -1.894 -3.729 1057 2HB LYS 138 1HB LYS 138 8.140 -1.381 -4.798 1058 1HG LYS 138 2HG LYS 138 9.711 -0.656 -6.454 1059 2HG LYS 138 1HG LYS 138 11.066 -0.961 -5.368 1060 1HD LYS 138 2HD LYS 138 10.578 -3.343 -5.400 1061 2HD LYS 138 1HD LYS 138 9.172 -3.057 -6.429 1062 1HE LYS 138 2HE LYS 138 11.162 -3.832 -7.684 1063 2HE LYS 138 1HE LYS 138 10.573 -2.257 -8.211 1064 1HZ LYS 138 1HZ LYS 138 12.307 -1.210 -6.870 1065 2HZ LYS 138 2HZ LYS 138 12.975 -2.256 -8.026 1066 3HZ LYS 138 3HZ LYS 138 12.879 -2.736 -6.400 1067 H GLY 139 H GLY 139 6.950 1.426 -4.125 1068 1HA GLY 139 2HA GLY 139 7.201 2.304 -6.783 1069 2HA GLY 139 1HA GLY 139 6.050 2.922 -5.610 1070 H VAL 140 H VAL 140 7.335 4.297 -3.823 1071 HA VAL 140 HA VAL 140 8.836 6.296 -5.384 1072 HB VAL 140 HB VAL 140 8.023 7.973 -3.737 1073 1HG1 VAL 140 1HG1 VAL 140 5.725 8.092 -4.565 1074 2HG1 VAL 140 2HG1 VAL 140 5.840 6.424 -5.131 1075 3HG1 VAL 140 3HG1 VAL 140 6.855 7.673 -5.856 1076 1HG2 VAL 140 1HG2 VAL 140 7.629 6.508 -1.842 1077 2HG2 VAL 140 2HG2 VAL 140 6.339 5.684 -2.720 1078 3HG2 VAL 140 3HG2 VAL 140 6.149 7.376 -2.255 1079 H ALA 141 H ALA 141 9.592 3.890 -3.586 1080 HA ALA 141 HA ALA 141 11.205 3.292 -2.108 1081 1HB ALA 141 1HB ALA 141 12.159 6.144 -2.354 1082 2HB ALA 141 2HB ALA 141 12.714 4.777 -3.320 1083 3HB ALA 141 3HB ALA 141 13.041 4.825 -1.587 1084 H LYS 142 H LYS 142 12.196 4.300 0.190 1085 HA LYS 142 HA LYS 142 10.009 5.621 1.582 1086 1HB LYS 142 2HB LYS 142 9.753 3.956 3.265 1087 2HB LYS 142 1HB LYS 142 9.548 3.184 1.704 1088 1HG LYS 142 2HG LYS 142 11.691 2.155 1.843 1089 2HG LYS 142 1HG LYS 142 12.109 3.099 3.280 1090 1HD LYS 142 2HD LYS 142 10.329 2.022 4.530 1091 2HD LYS 142 1HD LYS 142 9.842 1.121 3.097 1092 1HE LYS 142 2HE LYS 142 12.072 0.036 3.089 1093 2HE LYS 142 1HE LYS 142 12.438 0.864 4.605 1094 1HZ LYS 142 1HZ LYS 142 10.203 -1.050 4.160 1095 2HZ LYS 142 2HZ LYS 142 10.525 -0.236 5.612 1096 3HZ LYS 142 3HZ LYS 142 11.634 -1.375 5.019 1097 H GLU 143 H GLU 143 10.566 6.086 3.884 1098 HA GLU 143 HA GLU 143 11.898 7.128 5.397 1099 1HB GLU 143 2HB GLU 143 14.008 5.266 4.283 1100 2HB GLU 143 1HB GLU 143 14.200 6.238 5.734 1101 1HG GLU 143 2HG GLU 143 12.502 5.016 6.869 1102 2HG GLU 143 1HG GLU 143 12.046 4.168 5.392 1103 H GLU 144 H GLU 144 14.883 6.846 3.805 1104 HA GLU 144 HA GLU 144 14.459 9.245 2.184 1105 1HB GLU 144 2HB GLU 144 16.668 8.870 4.213 1106 2HB GLU 144 1HB GLU 144 16.771 10.035 2.902 1107 1HG GLU 144 2HG GLU 144 15.857 11.481 4.316 1108 2HG GLU 144 1HG GLU 144 14.344 10.619 4.046 1109 H GLY 145 H GLY 145 14.802 6.275 1.859 1110 1HA GLY 145 2HA GLY 145 16.152 6.135 -0.519 1111 2HA GLY 145 1HA GLY 145 17.392 5.864 0.699 1112 H GLY 146 H GLY 146 16.241 4.356 2.570 1113 1HA GLY 146 2HA GLY 146 15.388 2.268 3.076 1114 2HA GLY 146 1HA GLY 146 14.706 2.189 1.457 1115 H ASN 147 H ASN 147 16.220 1.752 -0.310 1116 HA ASN 147 HA ASN 147 17.761 0.456 -1.355 1117 1HB ASN 147 2HB ASN 147 19.380 0.913 1.160 1118 2HB ASN 147 1HB ASN 147 20.009 0.279 -0.356 1119 1HD2 ASN 147 1HD2 ASN 147 20.672 2.684 1.201 1120 2HD2 ASN 147 2HD2 ASN 147 20.513 4.011 0.095 Start of MODEL 2 1 1H MET 1 1HT MET 1 -21.600 -3.697 21.421 2 2H MET 1 2HT MET 1 -20.954 -5.104 20.733 3 3H MET 1 3HT MET 1 -20.690 -3.600 19.995 4 HA MET 1 HA MET 1 -19.393 -2.857 21.859 5 1HB MET 1 2HB MET 1 -19.969 -5.634 22.918 6 2HB MET 1 1HB MET 1 -18.718 -4.583 23.564 7 1HG MET 1 2HG MET 1 -20.591 -4.387 24.985 8 2HG MET 1 1HG MET 1 -20.497 -2.898 24.049 9 1HE MET 1 1HE MET 1 -21.880 -6.480 23.065 10 2HE MET 1 2HE MET 1 -23.598 -6.252 23.397 11 3HE MET 1 3HE MET 1 -22.432 -6.213 24.720 12 H SER 2 H SER 2 -17.106 -3.883 22.388 13 HA SER 2 HA SER 2 -16.005 -4.551 19.834 14 1HB SER 2 2HB SER 2 -14.632 -4.486 22.533 15 2HB SER 2 1HB SER 2 -13.851 -4.419 20.953 16 HG SER 2 HG SER 2 -14.213 -2.355 22.123 17 H PHE 3 H PHE 3 -16.433 -6.552 19.103 18 HA PHE 3 HA PHE 3 -15.786 -8.806 20.870 19 1HB PHE 3 2HB PHE 3 -17.095 -10.203 19.274 20 2HB PHE 3 1HB PHE 3 -18.056 -8.968 20.075 21 HD1 PHE 3 1HD PHE 3 -18.912 -7.055 18.821 22 HD2 PHE 3 2HD PHE 3 -16.696 -10.143 16.904 23 HE1 PHE 3 1HE PHE 3 -19.715 -6.269 16.632 24 HE2 PHE 3 2HE PHE 3 -17.492 -9.358 14.711 25 HZ PHE 3 HZ PHE 3 -19.003 -7.418 14.575 26 H ASN 4 H ASN 4 -14.447 -10.480 20.074 27 HA ASN 4 HA ASN 4 -12.416 -9.436 18.315 28 1HB ASN 4 2HB ASN 4 -12.575 -12.007 19.890 29 2HB ASN 4 1HB ASN 4 -11.206 -11.561 18.877 30 1HD2 ASN 4 1HD2 ASN 4 -9.867 -9.855 19.510 31 2HD2 ASN 4 2HD2 ASN 4 -9.853 -9.275 21.144 32 H ALA 5 H ALA 5 -13.440 -9.392 16.326 33 HA ALA 5 HA ALA 5 -13.866 -12.017 15.081 34 1HB ALA 5 1HB ALA 5 -14.490 -9.256 14.021 35 2HB ALA 5 2HB ALA 5 -15.653 -10.371 14.738 36 3HB ALA 5 3HB ALA 5 -14.862 -10.780 13.215 37 H ASN 6 H ASN 6 -11.835 -12.726 14.759 38 HA ASN 6 HA ASN 6 -9.532 -11.307 14.415 39 1HB ASN 6 2HB ASN 6 -9.647 -13.704 14.984 40 2HB ASN 6 1HB ASN 6 -10.116 -14.063 13.324 41 1HD2 ASN 6 1HD2 ASN 6 -7.548 -12.955 15.406 42 2HD2 ASN 6 2HD2 ASN 6 -6.258 -13.258 14.290 43 H LEU 7 H LEU 7 -9.714 -9.680 13.022 44 HA LEU 7 HA LEU 7 -9.065 -8.620 11.114 45 1HB LEU 7 2HB LEU 7 -7.654 -10.576 10.604 46 2HB LEU 7 1HB LEU 7 -9.021 -11.352 9.830 47 HG LEU 7 HG LEU 7 -9.068 -9.510 8.157 48 1HD1 LEU 7 1HD1 LEU 7 -8.019 -7.765 9.466 49 2HD1 LEU 7 2HD1 LEU 7 -7.102 -8.048 7.985 50 3HD1 LEU 7 3HD1 LEU 7 -6.512 -8.681 9.522 51 1HD2 LEU 7 1HD2 LEU 7 -7.086 -10.254 6.928 52 2HD2 LEU 7 2HD2 LEU 7 -7.940 -11.611 7.662 53 3HD2 LEU 7 3HD2 LEU 7 -6.456 -11.000 8.396 54 H ASP 8 H ASP 8 -11.778 -10.560 11.455 55 HA ASP 8 HA ASP 8 -13.100 -10.295 8.996 56 1HB ASP 8 2HB ASP 8 -14.086 -10.733 11.803 57 2HB ASP 8 1HB ASP 8 -15.213 -10.554 10.466 58 H THR 9 H THR 9 -13.162 -8.267 11.886 59 HA THR 9 HA THR 9 -15.220 -6.549 11.110 60 HB THR 9 HB THR 9 -12.861 -5.711 12.797 61 HG1 THR 9 1HG THR 9 -13.474 -7.104 14.283 62 1HG2 THR 9 1HG2 THR 9 -14.594 -4.435 14.006 63 2HG2 THR 9 2HG2 THR 9 -15.803 -5.016 12.859 64 3HG2 THR 9 3HG2 THR 9 -14.494 -3.970 12.309 65 H LEU 10 H LEU 10 -11.718 -6.318 10.612 66 HA LEU 10 HA LEU 10 -11.804 -3.700 9.513 67 1HB LEU 10 2HB LEU 10 -9.671 -5.824 9.381 68 2HB LEU 10 1HB LEU 10 -9.464 -4.182 8.805 69 HG LEU 10 HG LEU 10 -9.968 -5.016 11.661 70 1HD1 LEU 10 1HD1 LEU 10 -7.702 -4.176 12.029 71 2HD1 LEU 10 2HD1 LEU 10 -7.539 -3.861 10.302 72 3HD1 LEU 10 3HD1 LEU 10 -7.721 -5.516 10.884 73 1HD2 LEU 10 1HD2 LEU 10 -9.644 -2.657 12.209 74 2HD2 LEU 10 2HD2 LEU 10 -11.043 -2.878 11.157 75 3HD2 LEU 10 3HD2 LEU 10 -9.527 -2.269 10.493 76 H TYR 11 H TYR 11 -11.203 -6.856 7.955 77 HA TYR 11 HA TYR 11 -10.746 -5.706 5.428 78 1HB TYR 11 2HB TYR 11 -10.315 -7.836 4.653 79 2HB TYR 11 1HB TYR 11 -10.075 -8.080 6.376 80 HD1 TYR 11 1HD TYR 11 -11.724 -9.352 7.684 81 HD2 TYR 11 2HD TYR 11 -12.171 -8.840 3.486 82 HE1 TYR 11 1HE TYR 11 -13.404 -11.143 7.651 83 HE2 TYR 11 2HE TYR 11 -13.853 -10.633 3.440 84 HH TYR 11 HH TYR 11 -14.560 -12.542 4.735 85 H ARG 12 H ARG 12 -13.606 -7.007 6.976 86 HA ARG 12 HA ARG 12 -15.117 -7.127 4.552 87 1HB ARG 12 2HB ARG 12 -15.447 -8.485 6.719 88 2HB ARG 12 1HB ARG 12 -16.297 -7.065 7.316 89 1HG ARG 12 2HG ARG 12 -18.096 -7.418 5.991 90 2HG ARG 12 1HG ARG 12 -17.130 -8.089 4.673 91 1HD ARG 12 2HD ARG 12 -18.565 -9.791 5.690 92 2HD ARG 12 1HD ARG 12 -16.857 -10.168 5.910 93 HE ARG 12 HE ARG 12 -18.481 -8.918 8.042 94 1HH1 ARG 12 1HH1 ARG 12 -16.195 -11.357 6.948 95 2HH1 ARG 12 2HH1 ARG 12 -15.970 -12.038 8.534 96 1HH2 ARG 12 1HH2 ARG 12 -18.238 -9.834 10.095 97 2HH2 ARG 12 2HH2 ARG 12 -17.189 -11.198 10.330 98 H GLN 13 H GLN 13 -14.587 -4.764 7.087 99 HA GLN 13 HA GLN 13 -16.517 -2.912 6.052 100 1HB GLN 13 2HB GLN 13 -15.690 -2.784 8.389 101 2HB GLN 13 1HB GLN 13 -14.092 -2.367 7.781 102 1HG GLN 13 2HG GLN 13 -15.131 -0.370 6.682 103 2HG GLN 13 1HG GLN 13 -16.620 -0.753 7.542 104 1HE2 GLN 13 1HE2 GLN 13 -16.607 1.150 8.698 105 2HE2 GLN 13 2HE2 GLN 13 -15.482 1.460 9.978 106 H VAL 14 H VAL 14 -13.024 -3.470 5.685 107 HA VAL 14 HA VAL 14 -12.499 -1.151 4.150 108 HB VAL 14 HB VAL 14 -11.032 -3.796 4.215 109 1HG1 VAL 14 1HG1 VAL 14 -10.136 -1.155 3.061 110 2HG1 VAL 14 2HG1 VAL 14 -10.546 -2.600 2.136 111 3HG1 VAL 14 3HG1 VAL 14 -9.148 -2.609 3.212 112 1HG2 VAL 14 1HG2 VAL 14 -10.480 -1.159 5.574 113 2HG2 VAL 14 2HG2 VAL 14 -9.456 -2.593 5.656 114 3HG2 VAL 14 3HG2 VAL 14 -11.077 -2.625 6.352 115 H ILE 15 H ILE 15 -13.283 -4.483 3.133 116 HA ILE 15 HA ILE 15 -13.048 -3.926 0.366 117 HB ILE 15 HB ILE 15 -12.950 -6.226 1.329 118 1HG1 ILE 15 2HG1 ILE 15 -15.055 -5.843 -0.810 119 2HG1 ILE 15 1HG1 ILE 15 -13.317 -5.812 -1.085 120 1HG2 ILE 15 1HG2 ILE 15 -15.939 -5.901 1.574 121 2HG2 ILE 15 2HG2 ILE 15 -14.791 -6.099 2.898 122 3HG2 ILE 15 3HG2 ILE 15 -15.059 -7.419 1.758 123 1HD1 ILE 15 1HD1 ILE 15 -14.283 -7.946 -1.726 124 2HD1 ILE 15 2HD1 ILE 15 -14.904 -8.166 -0.090 125 3HD1 ILE 15 3HD1 ILE 15 -13.164 -8.140 -0.377 126 H MET 16 H MET 16 -15.703 -3.644 2.652 127 HA MET 16 HA MET 16 -17.746 -3.255 0.718 128 1HB MET 16 2HB MET 16 -18.318 -3.879 2.988 129 2HB MET 16 1HB MET 16 -17.572 -2.416 3.616 130 1HG MET 16 2HG MET 16 -19.995 -2.240 3.585 131 2HG MET 16 1HG MET 16 -19.247 -1.056 2.514 132 1HE MET 16 1HE MET 16 -22.350 -1.725 2.358 133 2HE MET 16 2HE MET 16 -22.551 -1.797 0.609 134 3HE MET 16 3HE MET 16 -21.506 -0.571 1.326 135 H ASP 17 H ASP 17 -15.758 -1.006 2.626 136 HA ASP 17 HA ASP 17 -16.888 1.365 1.606 137 1HB ASP 17 2HB ASP 17 -15.470 1.354 3.613 138 2HB ASP 17 1HB ASP 17 -14.077 0.902 2.634 139 H HIS 18 H HIS 18 -14.049 -0.506 0.618 140 HA HIS 18 HA HIS 18 -13.314 1.348 -1.413 141 1HB HIS 18 2HB HIS 18 -11.959 -0.585 -0.121 142 2HB HIS 18 1HB HIS 18 -12.318 -1.424 -1.631 143 HD1 HIS 18 1HD HIS 18 -10.384 1.439 -0.231 144 HD2 HIS 18 2HD HIS 18 -11.049 -0.385 -3.905 145 HE1 HIS 18 1HE HIS 18 -8.676 2.414 -1.784 146 HE2 HIS 18 2HE HIS 18 -8.938 1.112 -3.923 147 H TYR 19 H TYR 19 -15.520 -1.269 -1.282 148 HA TYR 19 HA TYR 19 -15.804 -1.733 -4.067 149 1HB TYR 19 2HB TYR 19 -16.739 -3.216 -2.328 150 2HB TYR 19 1HB TYR 19 -17.836 -1.933 -1.831 151 HD1 TYR 19 1HD TYR 19 -17.102 -4.434 -4.413 152 HD2 TYR 19 2HD TYR 19 -19.801 -1.401 -3.131 153 HE1 TYR 19 1HE TYR 19 -18.770 -5.237 -6.030 154 HE2 TYR 19 2HE TYR 19 -21.472 -2.200 -4.743 155 HH TYR 19 HH TYR 19 -21.358 -5.134 -6.208 156 H LYS 20 H LYS 20 -17.272 0.460 -1.765 157 HA LYS 20 HA LYS 20 -19.031 1.740 -3.589 158 1HB LYS 20 2HB LYS 20 -19.587 1.741 -1.281 159 2HB LYS 20 1HB LYS 20 -18.020 2.381 -0.825 160 1HG LYS 20 2HG LYS 20 -19.472 4.178 -2.577 161 2HG LYS 20 1HG LYS 20 -20.360 3.797 -1.099 162 1HD LYS 20 2HD LYS 20 -17.566 4.910 -1.317 163 2HD LYS 20 1HD LYS 20 -18.995 5.732 -0.688 164 1HE LYS 20 2HE LYS 20 -19.110 4.195 1.176 165 2HE LYS 20 1HE LYS 20 -17.773 3.250 0.523 166 1HZ LYS 20 1HZ LYS 20 -16.784 4.567 2.131 167 2HZ LYS 20 2HZ LYS 20 -17.711 5.931 1.754 168 3HZ LYS 20 3HZ LYS 20 -16.471 5.432 0.708 169 H ASN 21 H ASN 21 -15.706 2.198 -2.678 170 HA ASN 21 HA ASN 21 -15.513 4.234 -4.783 171 1HB ASN 21 2HB ASN 21 -13.613 5.265 -3.281 172 2HB ASN 21 1HB ASN 21 -15.290 5.743 -3.077 173 1HD2 ASN 21 1HD2 ASN 21 -12.768 3.640 -1.786 174 2HD2 ASN 21 2HD2 ASN 21 -13.403 3.580 -0.171 175 HA PRO 22 HA PRO 22 -12.150 1.284 -5.555 176 1HB PRO 22 2HB PRO 22 -12.942 0.459 -7.972 177 2HB PRO 22 1HB PRO 22 -13.681 -0.168 -6.495 178 1HG PRO 22 2HG PRO 22 -14.770 1.726 -8.487 179 2HG PRO 22 1HG PRO 22 -15.624 0.625 -7.396 180 1HD PRO 22 2HD PRO 22 -15.145 3.430 -7.052 181 2HD PRO 22 1HD PRO 22 -15.969 2.320 -5.939 182 H ARG 23 H ARG 23 -10.514 1.262 -7.291 183 HA ARG 23 HA ARG 23 -10.469 3.340 -9.279 184 1HB ARG 23 2HB ARG 23 -9.834 4.466 -7.054 185 2HB ARG 23 1HB ARG 23 -8.372 3.490 -7.104 186 1HG ARG 23 2HG ARG 23 -7.803 5.614 -7.963 187 2HG ARG 23 1HG ARG 23 -7.887 4.522 -9.347 188 1HD ARG 23 2HD ARG 23 -8.969 6.630 -9.875 189 2HD ARG 23 1HD ARG 23 -10.159 5.329 -9.827 190 HE ARG 23 HE ARG 23 -9.772 7.010 -7.454 191 1HH1 ARG 23 1HH1 ARG 23 -11.756 6.057 -10.172 192 2HH1 ARG 23 2HH1 ARG 23 -13.230 6.688 -9.490 193 1HH2 ARG 23 1HH2 ARG 23 -11.710 7.853 -6.551 194 2HH2 ARG 23 2HH2 ARG 23 -13.198 7.702 -7.432 195 H ASN 24 H ASN 24 -10.252 0.450 -9.084 196 HA ASN 24 HA ASN 24 -7.394 -0.133 -9.147 197 1HB ASN 24 2HB ASN 24 -9.759 -1.999 -8.919 198 2HB ASN 24 1HB ASN 24 -8.071 -2.485 -8.848 199 1HD2 ASN 24 1HD2 ASN 24 -8.063 -3.274 -6.829 200 2HD2 ASN 24 2HD2 ASN 24 -8.329 -2.327 -5.405 201 H LYS 25 H LYS 25 -8.547 1.079 -11.497 202 HA LYS 25 HA LYS 25 -7.743 -1.028 -13.350 203 1HB LYS 25 2HB LYS 25 -10.133 -1.172 -13.486 204 2HB LYS 25 1HB LYS 25 -10.285 0.576 -13.632 205 1HG LYS 25 2HG LYS 25 -9.355 0.563 -15.813 206 2HG LYS 25 1HG LYS 25 -8.855 -1.122 -15.659 207 1HD LYS 25 2HD LYS 25 -11.730 -0.221 -15.592 208 2HD LYS 25 1HD LYS 25 -10.902 -0.737 -17.063 209 1HE LYS 25 2HE LYS 25 -10.403 -2.902 -15.948 210 2HE LYS 25 1HE LYS 25 -11.381 -2.374 -14.579 211 1HZ LYS 25 1HZ LYS 25 -13.312 -2.326 -15.935 212 2HZ LYS 25 2HZ LYS 25 -12.547 -3.816 -16.210 213 3HZ LYS 25 3HZ LYS 25 -12.410 -2.572 -17.354 214 H GLY 26 H GLY 26 -5.916 -0.180 -14.085 215 1HA GLY 26 2HA GLY 26 -5.974 1.607 -16.174 216 2HA GLY 26 1HA GLY 26 -5.582 2.568 -14.755 217 H VAL 27 H VAL 27 -4.046 1.687 -17.225 218 HA VAL 27 HA VAL 27 -1.629 1.026 -15.679 219 HB VAL 27 HB VAL 27 -0.694 -0.038 -17.763 220 1HG1 VAL 27 1HG1 VAL 27 -1.486 -1.375 -15.885 221 2HG1 VAL 27 2HG1 VAL 27 -1.825 -2.180 -17.417 222 3HG1 VAL 27 3HG1 VAL 27 -3.121 -1.356 -16.549 223 1HG2 VAL 27 1HG2 VAL 27 -2.231 0.894 -19.402 224 2HG2 VAL 27 2HG2 VAL 27 -3.575 0.028 -18.657 225 3HG2 VAL 27 3HG2 VAL 27 -2.277 -0.868 -19.445 226 H LEU 28 H LEU 28 -0.450 2.792 -15.554 227 HA LEU 28 HA LEU 28 -0.466 4.663 -17.838 228 1HB LEU 28 2HB LEU 28 -1.316 5.574 -15.719 229 2HB LEU 28 1HB LEU 28 0.191 5.155 -14.932 230 HG LEU 28 HG LEU 28 1.355 6.737 -16.497 231 1HD1 LEU 28 1HD1 LEU 28 -0.345 6.777 -18.246 232 2HD1 LEU 28 2HD1 LEU 28 -0.000 8.400 -17.648 233 3HD1 LEU 28 3HD1 LEU 28 -1.469 7.566 -17.141 234 1HD2 LEU 28 1HD2 LEU 28 -0.786 7.895 -14.720 235 2HD2 LEU 28 2HD2 LEU 28 0.670 8.724 -15.270 236 3HD2 LEU 28 3HD2 LEU 28 0.799 7.331 -14.196 237 H ASN 29 H ASN 29 1.170 3.516 -18.974 238 HA ASN 29 HA ASN 29 3.730 3.070 -17.734 239 1HB ASN 29 2HB ASN 29 2.906 1.616 -19.560 240 2HB ASN 29 1HB ASN 29 2.961 2.985 -20.662 241 1HD2 ASN 29 1HD2 ASN 29 4.415 2.015 -22.029 242 2HD2 ASN 29 2HD2 ASN 29 6.077 1.773 -21.611 243 H ASP 30 H ASP 30 4.106 5.200 -16.954 244 HA ASP 30 HA ASP 30 5.273 6.963 -18.972 245 1HB ASP 30 2HB ASP 30 3.038 7.851 -18.686 246 2HB ASP 30 1HB ASP 30 3.224 7.849 -16.935 247 H SER 31 H SER 31 4.559 7.269 -15.481 248 HA SER 31 HA SER 31 7.329 8.129 -15.116 249 1HB SER 31 2HB SER 31 5.065 8.235 -13.112 250 2HB SER 31 1HB SER 31 6.617 9.064 -13.009 251 HG SER 31 HG SER 31 5.141 9.575 -15.302 252 H ILE 32 H ILE 32 5.286 6.548 -12.704 253 HA ILE 32 HA ILE 32 7.508 4.743 -12.100 254 HB ILE 32 HB ILE 32 4.942 5.276 -10.588 255 1HG1 ILE 32 2HG1 ILE 32 7.802 6.043 -9.962 256 2HG1 ILE 32 1HG1 ILE 32 6.561 7.142 -10.557 257 1HG2 ILE 32 1HG2 ILE 32 5.712 2.982 -10.251 258 2HG2 ILE 32 2HG2 ILE 32 5.919 3.943 -8.788 259 3HG2 ILE 32 3HG2 ILE 32 7.313 3.578 -9.805 260 1HD1 ILE 32 1HD1 ILE 32 5.264 6.780 -8.531 261 2HD1 ILE 32 2HD1 ILE 32 6.884 7.368 -8.160 262 3HD1 ILE 32 3HD1 ILE 32 6.493 5.662 -7.936 263 H VAL 33 H VAL 33 7.484 2.661 -12.604 264 HA VAL 33 HA VAL 33 4.901 1.385 -13.208 265 HB VAL 33 HB VAL 33 7.448 0.863 -14.757 266 1HG1 VAL 33 1HG1 VAL 33 4.634 -0.135 -15.178 267 2HG1 VAL 33 2HG1 VAL 33 5.982 -1.080 -14.542 268 3HG1 VAL 33 3HG1 VAL 33 6.024 -0.487 -16.203 269 1HG2 VAL 33 1HG2 VAL 33 6.550 3.065 -15.317 270 2HG2 VAL 33 2HG2 VAL 33 4.969 2.347 -15.624 271 3HG2 VAL 33 3HG2 VAL 33 6.339 1.936 -16.654 272 H VAL 34 H VAL 34 4.779 0.297 -11.275 273 HA VAL 34 HA VAL 34 6.821 -1.780 -10.918 274 HB VAL 34 HB VAL 34 7.341 -0.184 -9.223 275 1HG1 VAL 34 1HG1 VAL 34 4.437 -0.270 -8.422 276 2HG1 VAL 34 2HG1 VAL 34 5.287 1.088 -9.161 277 3HG1 VAL 34 3HG1 VAL 34 5.716 0.559 -7.533 278 1HG2 VAL 34 1HG2 VAL 34 7.466 -2.505 -8.536 279 2HG2 VAL 34 2HG2 VAL 34 5.781 -2.464 -8.016 280 3HG2 VAL 34 3HG2 VAL 34 6.987 -1.488 -7.177 281 H ASP 35 H ASP 35 5.827 -3.569 -11.470 282 HA ASP 35 HA ASP 35 3.085 -4.081 -10.572 283 1HB ASP 35 2HB ASP 35 3.351 -4.710 -12.830 284 2HB ASP 35 1HB ASP 35 4.928 -5.432 -12.536 285 H MET 36 H MET 36 2.554 -5.793 -9.203 286 HA MET 36 HA MET 36 4.727 -7.368 -8.074 287 1HB MET 36 2HB MET 36 4.302 -5.197 -6.715 288 2HB MET 36 1HB MET 36 2.816 -5.989 -6.207 289 1HG MET 36 2HG MET 36 4.506 -6.345 -4.549 290 2HG MET 36 1HG MET 36 4.153 -7.876 -5.347 291 1HE MET 36 1HE MET 36 7.980 -8.148 -4.506 292 2HE MET 36 2HE MET 36 6.389 -8.874 -4.294 293 3HE MET 36 3HE MET 36 6.758 -7.324 -3.537 294 H ASN 37 H ASN 37 4.072 -9.385 -8.220 295 HA ASN 37 HA ASN 37 1.199 -9.964 -7.966 296 1HB ASN 37 2HB ASN 37 1.640 -11.873 -9.568 297 2HB ASN 37 1HB ASN 37 1.742 -10.261 -10.261 298 1HD2 ASN 37 1HD2 ASN 37 3.684 -9.495 -10.997 299 2HD2 ASN 37 2HD2 ASN 37 5.085 -10.501 -11.159 300 H ASN 38 H ASN 38 0.635 -12.129 -7.233 301 HA ASN 38 HA ASN 38 2.726 -13.477 -5.672 302 1HB ASN 38 2HB ASN 38 1.648 -12.157 -4.002 303 2HB ASN 38 1HB ASN 38 0.053 -12.485 -4.666 304 1HD2 ASN 38 1HD2 ASN 38 2.570 -13.605 -2.590 305 2HD2 ASN 38 2HD2 ASN 38 1.737 -14.991 -1.971 306 HA PRO 39 HA PRO 39 0.748 -16.580 -8.274 307 1HB PRO 39 2HB PRO 39 2.841 -18.313 -7.135 308 2HB PRO 39 1HB PRO 39 2.502 -17.923 -8.822 309 1HG PRO 39 2HG PRO 39 4.657 -16.940 -7.564 310 2HG PRO 39 1HG PRO 39 3.767 -15.988 -8.769 311 1HD PRO 39 2HD PRO 39 3.679 -15.826 -5.779 312 2HD PRO 39 1HD PRO 39 3.684 -14.514 -6.979 313 H THR 40 H THR 40 1.304 -16.634 -4.881 314 HA THR 40 HA THR 40 0.280 -19.145 -4.189 315 HB THR 40 HB THR 40 -0.160 -16.720 -2.475 316 HG1 THR 40 1HG THR 40 2.324 -18.012 -3.060 317 1HG2 THR 40 1HG2 THR 40 0.424 -18.277 -0.678 318 2HG2 THR 40 2HG2 THR 40 0.710 -19.547 -1.867 319 3HG2 THR 40 3HG2 THR 40 -0.915 -18.897 -1.646 320 H CYS 41 H CYS 41 -1.341 -16.042 -4.775 321 HA CYS 41 HA CYS 41 -3.886 -17.510 -4.770 322 1HB CYS 41 2HB CYS 41 -4.960 -15.415 -3.819 323 2HB CYS 41 1HB CYS 41 -3.982 -16.373 -2.715 324 HG CYS 41 HG CYS 41 -1.712 -14.628 -3.118 325 H GLY 42 H GLY 42 -1.831 -15.275 -6.367 326 1HA GLY 42 2HA GLY 42 -2.080 -14.891 -8.674 327 2HA GLY 42 1HA GLY 42 -3.794 -15.248 -8.531 328 H ASP 43 H ASP 43 -1.876 -12.977 -6.603 329 HA ASP 43 HA ASP 43 -3.681 -10.833 -7.381 330 1HB ASP 43 2HB ASP 43 -1.195 -10.423 -5.741 331 2HB ASP 43 1HB ASP 43 -2.678 -9.485 -5.738 332 H ARG 44 H ARG 44 -3.101 -9.091 -8.626 333 HA ARG 44 HA ARG 44 -0.299 -8.779 -9.386 334 1HB ARG 44 2HB ARG 44 -2.597 -9.053 -11.324 335 2HB ARG 44 1HB ARG 44 -1.122 -8.200 -11.754 336 1HG ARG 44 2HG ARG 44 0.154 -10.262 -11.262 337 2HG ARG 44 1HG ARG 44 -1.377 -11.096 -10.987 338 1HD ARG 44 2HD ARG 44 -0.612 -9.706 -13.550 339 2HD ARG 44 1HD ARG 44 -0.449 -11.438 -13.266 340 HE ARG 44 HE ARG 44 -3.100 -10.229 -12.970 341 1HH1 ARG 44 1HH1 ARG 44 -0.889 -12.230 -14.816 342 2HH1 ARG 44 2HH1 ARG 44 -2.149 -12.929 -15.796 343 1HH2 ARG 44 1HH2 ARG 44 -4.753 -11.134 -14.257 344 2HH2 ARG 44 2HH2 ARG 44 -4.340 -12.311 -15.476 345 H ILE 45 H ILE 45 0.162 -6.797 -8.685 346 HA ILE 45 HA ILE 45 -1.898 -4.723 -9.062 347 HB ILE 45 HB ILE 45 0.106 -4.873 -6.802 348 1HG1 ILE 45 2HG1 ILE 45 -2.910 -5.187 -6.780 349 2HG1 ILE 45 1HG1 ILE 45 -1.746 -6.491 -6.568 350 1HG2 ILE 45 1HG2 ILE 45 -2.062 -2.855 -7.383 351 2HG2 ILE 45 2HG2 ILE 45 -0.324 -2.580 -7.482 352 3HG2 ILE 45 3HG2 ILE 45 -1.076 -2.903 -5.920 353 1HD1 ILE 45 1HD1 ILE 45 -2.104 -4.138 -4.725 354 2HD1 ILE 45 2HD1 ILE 45 -0.959 -5.462 -4.510 355 3HD1 ILE 45 3HD1 ILE 45 -2.694 -5.777 -4.447 356 H ARG 46 H ARG 46 -1.131 -3.997 -10.974 357 HA ARG 46 HA ARG 46 1.652 -3.200 -11.200 358 1HB ARG 46 2HB ARG 46 0.561 -4.273 -13.111 359 2HB ARG 46 1HB ARG 46 -0.646 -2.997 -13.155 360 1HG ARG 46 2HG ARG 46 1.081 -1.370 -13.721 361 2HG ARG 46 1HG ARG 46 2.302 -2.645 -13.657 362 1HD ARG 46 2HD ARG 46 -0.079 -2.651 -15.506 363 2HD ARG 46 1HD ARG 46 1.533 -2.101 -15.959 364 HE ARG 46 HE ARG 46 2.321 -4.338 -15.760 365 1HH1 ARG 46 1HH1 ARG 46 -1.151 -4.025 -15.434 366 2HH1 ARG 46 2HH1 ARG 46 -1.467 -5.696 -15.758 367 1HH2 ARG 46 1HH2 ARG 46 1.931 -6.517 -16.189 368 2HH2 ARG 46 2HH2 ARG 46 0.308 -7.141 -16.174 369 H LEU 47 H LEU 47 2.036 -1.451 -9.990 370 HA LEU 47 HA LEU 47 0.198 0.772 -9.874 371 1HB LEU 47 2HB LEU 47 2.798 0.144 -8.489 372 2HB LEU 47 1HB LEU 47 2.036 1.713 -8.361 373 HG LEU 47 HG LEU 47 0.679 -0.848 -7.523 374 1HD1 LEU 47 1HD1 LEU 47 2.178 1.152 -5.833 375 2HD1 LEU 47 2HD1 LEU 47 2.721 -0.483 -6.206 376 3HD1 LEU 47 3HD1 LEU 47 1.267 -0.237 -5.240 377 1HD2 LEU 47 1HD2 LEU 47 -0.800 1.053 -8.028 378 2HD2 LEU 47 2HD2 LEU 47 0.115 2.053 -6.899 379 3HD2 LEU 47 3HD2 LEU 47 -0.798 0.665 -6.308 380 H THR 48 H THR 48 0.263 1.967 -11.626 381 HA THR 48 HA THR 48 2.896 2.915 -12.502 382 HB THR 48 HB THR 48 1.590 3.527 -14.660 383 HG1 THR 48 1HG THR 48 -0.189 1.800 -13.320 384 1HG2 THR 48 1HG2 THR 48 2.072 1.330 -15.617 385 2HG2 THR 48 2HG2 THR 48 2.200 0.644 -13.997 386 3HG2 THR 48 3HG2 THR 48 3.369 1.847 -14.539 387 H MET 49 H MET 49 3.190 4.713 -11.401 388 HA MET 49 HA MET 49 0.868 6.404 -10.783 389 1HB MET 49 2HB MET 49 3.541 6.367 -9.377 390 2HB MET 49 1HB MET 49 2.024 7.034 -8.785 391 1HG MET 49 2HG MET 49 1.094 4.873 -8.473 392 2HG MET 49 1HG MET 49 2.417 4.108 -9.350 393 1HE MET 49 1HE MET 49 2.638 5.820 -5.082 394 2HE MET 49 2HE MET 49 1.151 5.564 -5.995 395 3HE MET 49 3HE MET 49 2.276 6.834 -6.478 396 H LYS 50 H LYS 50 1.212 8.782 -10.731 397 HA LYS 50 HA LYS 50 3.320 9.552 -12.649 398 1HB LYS 50 2HB LYS 50 0.763 9.572 -13.357 399 2HB LYS 50 1HB LYS 50 0.769 11.098 -12.489 400 1HG LYS 50 2HG LYS 50 2.700 10.470 -14.708 401 2HG LYS 50 1HG LYS 50 1.135 11.233 -14.978 402 1HD LYS 50 2HD LYS 50 1.806 13.070 -13.465 403 2HD LYS 50 1HD LYS 50 3.389 12.312 -13.280 404 1HE LYS 50 2HE LYS 50 2.220 13.204 -15.913 405 2HE LYS 50 1HE LYS 50 3.330 14.170 -14.941 406 1HZ LYS 50 1HZ LYS 50 5.005 12.461 -15.188 407 2HZ LYS 50 2HZ LYS 50 4.469 12.964 -16.713 408 3HZ LYS 50 3HZ LYS 50 3.939 11.481 -16.074 409 H LEU 51 H LEU 51 4.641 10.037 -10.909 410 HA LEU 51 HA LEU 51 3.936 12.242 -9.191 411 1HB LEU 51 2HB LEU 51 6.004 11.894 -8.083 412 2HB LEU 51 1HB LEU 51 5.334 10.309 -8.389 413 HG LEU 51 HG LEU 51 7.550 11.576 -10.010 414 1HD1 LEU 51 1HD1 LEU 51 8.279 11.131 -7.738 415 2HD1 LEU 51 2HD1 LEU 51 9.016 9.987 -8.858 416 3HD1 LEU 51 3HD1 LEU 51 7.664 9.482 -7.845 417 1HD2 LEU 51 1HD2 LEU 51 6.217 9.925 -11.251 418 2HD2 LEU 51 2HD2 LEU 51 6.517 8.742 -9.977 419 3HD2 LEU 51 3HD2 LEU 51 7.859 9.358 -10.943 420 H ASP 52 H ASP 52 3.851 14.158 -10.186 421 HA ASP 52 HA ASP 52 5.910 14.680 -12.227 422 1HB ASP 52 2HB ASP 52 3.448 14.833 -12.853 423 2HB ASP 52 1HB ASP 52 3.396 16.293 -11.865 424 H GLY 53 H GLY 53 7.269 14.973 -10.277 425 1HA GLY 53 2HA GLY 53 8.377 17.299 -9.884 426 2HA GLY 53 1HA GLY 53 6.907 17.554 -8.946 427 H ASP 54 H ASP 54 6.758 16.789 -6.982 428 HA ASP 54 HA ASP 54 8.601 14.714 -6.037 429 1HB ASP 54 2HB ASP 54 9.067 15.947 -3.970 430 2HB ASP 54 1HB ASP 54 9.600 16.881 -5.362 431 H ILE 55 H ILE 55 5.773 15.071 -6.818 432 HA ILE 55 HA ILE 55 4.409 14.427 -4.344 433 HB ILE 55 HB ILE 55 2.353 15.387 -5.454 434 1HG1 ILE 55 2HG1 ILE 55 2.912 17.224 -7.190 435 2HG1 ILE 55 1HG1 ILE 55 4.413 16.348 -7.445 436 1HG2 ILE 55 1HG2 ILE 55 4.610 17.297 -4.890 437 2HG2 ILE 55 2HG2 ILE 55 3.513 16.587 -3.704 438 3HG2 ILE 55 3HG2 ILE 55 2.896 17.713 -4.914 439 1HD1 ILE 55 1HD1 ILE 55 2.759 15.777 -9.129 440 2HD1 ILE 55 2HD1 ILE 55 1.635 15.258 -7.874 441 3HD1 ILE 55 3HD1 ILE 55 3.139 14.375 -8.128 442 H VAL 56 H VAL 56 2.969 12.818 -4.511 443 HA VAL 56 HA VAL 56 2.817 11.339 -7.042 444 HB VAL 56 HB VAL 56 2.020 10.448 -4.257 445 1HG1 VAL 56 1HG1 VAL 56 1.953 8.961 -6.882 446 2HG1 VAL 56 2HG1 VAL 56 0.561 9.477 -5.929 447 3HG1 VAL 56 3HG1 VAL 56 1.654 8.247 -5.297 448 1HG2 VAL 56 1HG2 VAL 56 3.874 8.843 -4.491 449 2HG2 VAL 56 2HG2 VAL 56 4.427 10.517 -4.520 450 3HG2 VAL 56 3HG2 VAL 56 4.317 9.599 -6.021 451 H GLU 57 H GLU 57 1.095 11.973 -8.237 452 HA GLU 57 HA GLU 57 -1.329 12.678 -6.727 453 1HB GLU 57 2HB GLU 57 -0.388 14.585 -8.010 454 2HB GLU 57 1HB GLU 57 -0.621 13.664 -9.494 455 1HG GLU 57 2HG GLU 57 -3.027 13.557 -9.043 456 2HG GLU 57 1HG GLU 57 -2.784 14.501 -7.577 457 H ASP 58 H ASP 58 -0.141 11.046 -9.697 458 HA ASP 58 HA ASP 58 -2.837 9.849 -9.808 459 1HB ASP 58 2HB ASP 58 -2.078 11.179 -11.836 460 2HB ASP 58 1HB ASP 58 -0.880 9.914 -12.107 461 H ALA 59 H ALA 59 -3.037 7.654 -10.086 462 HA ALA 59 HA ALA 59 -0.672 5.991 -10.144 463 1HB ALA 59 1HB ALA 59 -2.591 5.849 -7.815 464 2HB ALA 59 2HB ALA 59 -0.941 6.471 -7.744 465 3HB ALA 59 3HB ALA 59 -1.228 4.770 -8.112 466 H LYS 60 H LYS 60 -1.116 4.454 -11.566 467 HA LYS 60 HA LYS 60 -3.936 3.680 -11.887 468 1HB LYS 60 2HB LYS 60 -1.673 3.776 -13.885 469 2HB LYS 60 1HB LYS 60 -3.194 2.957 -14.198 470 1HG LYS 60 2HG LYS 60 -2.926 5.886 -13.559 471 2HG LYS 60 1HG LYS 60 -3.079 5.210 -15.184 472 1HD LYS 60 2HD LYS 60 -5.245 4.213 -14.519 473 2HD LYS 60 1HD LYS 60 -5.094 5.001 -12.947 474 1HE LYS 60 2HE LYS 60 -5.139 6.441 -15.594 475 2HE LYS 60 1HE LYS 60 -6.540 6.231 -14.544 476 1HZ LYS 60 1HZ LYS 60 -5.425 8.399 -14.283 477 2HZ LYS 60 2HZ LYS 60 -4.029 7.608 -13.732 478 3HZ LYS 60 3HZ LYS 60 -5.471 7.507 -12.844 479 H PHE 61 H PHE 61 -4.287 1.789 -10.982 480 HA PHE 61 HA PHE 61 -2.118 -0.160 -11.074 481 1HB PHE 61 2HB PHE 61 -2.944 -0.904 -8.754 482 2HB PHE 61 1HB PHE 61 -1.943 0.538 -8.859 483 HD1 PHE 61 1HD PHE 61 -5.149 -0.820 -7.933 484 HD2 PHE 61 2HD PHE 61 -2.991 2.776 -8.636 485 HE1 PHE 61 1HE PHE 61 -6.864 0.444 -6.712 486 HE2 PHE 61 2HE PHE 61 -4.707 4.049 -7.419 487 HZ PHE 61 HZ PHE 61 -6.647 2.883 -6.456 488 H GLU 62 H GLU 62 -2.843 -1.535 -12.501 489 HA GLU 62 HA GLU 62 -5.539 -2.528 -12.461 490 1HB GLU 62 2HB GLU 62 -4.131 -2.573 -14.518 491 2HB GLU 62 1HB GLU 62 -3.074 -3.743 -13.739 492 1HG GLU 62 2HG GLU 62 -5.001 -5.284 -13.548 493 2HG GLU 62 1HG GLU 62 -5.970 -4.124 -14.457 494 H GLY 63 H GLY 63 -5.801 -3.055 -10.287 495 1HA GLY 63 2HA GLY 63 -3.959 -5.052 -9.164 496 2HA GLY 63 1HA GLY 63 -4.961 -3.952 -8.230 497 H GLU 64 H GLU 64 -4.623 -7.037 -9.419 498 HA GLU 64 HA GLU 64 -7.418 -7.667 -8.749 499 1HB GLU 64 2HB GLU 64 -7.187 -9.537 -10.466 500 2HB GLU 64 1HB GLU 64 -7.339 -7.906 -11.106 501 1HG GLU 64 2HG GLU 64 -4.856 -7.839 -11.323 502 2HG GLU 64 1HG GLU 64 -4.827 -9.543 -10.871 503 H GLY 65 H GLY 65 -7.648 -9.941 -7.970 504 1HA GLY 65 2HA GLY 65 -5.936 -11.819 -7.336 505 2HA GLY 65 1HA GLY 65 -5.311 -10.533 -6.311 506 H CYS 66 H CYS 66 -5.850 -10.979 -4.302 507 HA CYS 66 HA CYS 66 -8.506 -12.098 -3.777 508 1HB CYS 66 2HB CYS 66 -7.543 -12.707 -1.550 509 2HB CYS 66 1HB CYS 66 -6.725 -13.475 -2.906 510 HG CYS 66 HG CYS 66 -5.422 -11.782 -0.491 511 H SER 67 H SER 67 -9.327 -11.363 -1.525 512 HA SER 67 HA SER 67 -10.276 -8.814 -1.936 513 1HB SER 67 2HB SER 67 -11.033 -8.983 0.488 514 2HB SER 67 1HB SER 67 -11.528 -10.297 -0.582 515 HG SER 67 HG SER 67 -10.737 -11.288 1.210 516 H ILE 68 H ILE 68 -7.659 -9.810 0.268 517 HA ILE 68 HA ILE 68 -7.540 -7.245 1.483 518 HB ILE 68 HB ILE 68 -5.318 -8.095 2.431 519 1HG1 ILE 68 2HG1 ILE 68 -5.393 -10.717 2.428 520 2HG1 ILE 68 1HG1 ILE 68 -6.244 -10.506 0.902 521 1HG2 ILE 68 1HG2 ILE 68 -7.380 -8.037 3.687 522 2HG2 ILE 68 2HG2 ILE 68 -6.489 -9.514 4.054 523 3HG2 ILE 68 3HG2 ILE 68 -7.885 -9.570 2.978 524 1HD1 ILE 68 1HD1 ILE 68 -3.855 -10.895 0.591 525 2HD1 ILE 68 2HD1 ILE 68 -3.501 -9.443 1.527 526 3HD1 ILE 68 3HD1 ILE 68 -4.348 -9.314 -0.014 527 H SER 69 H SER 69 -5.800 -8.679 -1.206 528 HA SER 69 HA SER 69 -3.699 -6.729 -1.216 529 1HB SER 69 2HB SER 69 -4.563 -8.348 -3.603 530 2HB SER 69 1HB SER 69 -2.935 -7.824 -3.156 531 HG SER 69 HG SER 69 -3.990 -9.254 -1.175 532 H MET 70 H MET 70 -6.670 -7.257 -2.950 533 HA MET 70 HA MET 70 -6.449 -5.018 -4.690 534 1HB MET 70 2HB MET 70 -7.806 -7.087 -5.131 535 2HB MET 70 1HB MET 70 -8.924 -6.568 -3.882 536 1HG MET 70 2HG MET 70 -9.493 -4.603 -5.162 537 2HG MET 70 1HG MET 70 -8.309 -5.036 -6.393 538 1HE MET 70 1HE MET 70 -10.134 -4.839 -8.287 539 2HE MET 70 2HE MET 70 -11.358 -4.398 -7.096 540 3HE MET 70 3HE MET 70 -11.683 -5.682 -8.259 541 H ALA 71 H ALA 71 -7.462 -5.516 -1.435 542 HA ALA 71 HA ALA 71 -9.027 -3.050 -1.348 543 1HB ALA 71 1HB ALA 71 -9.561 -3.646 0.925 544 2HB ALA 71 2HB ALA 71 -8.373 -4.950 0.897 545 3HB ALA 71 3HB ALA 71 -9.808 -5.042 -0.125 546 H SER 72 H SER 72 -6.222 -4.383 0.399 547 HA SER 72 HA SER 72 -5.845 -2.015 1.907 548 1HB SER 72 2HB SER 72 -5.182 -4.261 2.702 549 2HB SER 72 1HB SER 72 -3.911 -4.303 1.481 550 HG SER 72 HG SER 72 -4.045 -2.889 3.868 551 H ALA 73 H ALA 73 -3.986 -3.383 -0.839 552 HA ALA 73 HA ALA 73 -2.010 -1.381 -0.834 553 1HB ALA 73 1HB ALA 73 -2.983 -2.995 -3.186 554 2HB ALA 73 2HB ALA 73 -1.772 -3.523 -2.018 555 3HB ALA 73 3HB ALA 73 -1.445 -2.142 -3.066 556 H SER 74 H SER 74 -5.088 -1.645 -2.481 557 HA SER 74 HA SER 74 -4.849 0.737 -3.992 558 1HB SER 74 2HB SER 74 -6.389 -1.094 -4.584 559 2HB SER 74 1HB SER 74 -7.323 -0.781 -3.125 560 HG SER 74 HG SER 74 -7.303 0.547 -5.532 561 H MET 75 H MET 75 -5.952 -0.001 -0.749 562 HA MET 75 HA MET 75 -7.268 2.503 -0.320 563 1HB MET 75 2HB MET 75 -7.641 0.301 0.955 564 2HB MET 75 1HB MET 75 -6.187 0.716 1.853 565 1HG MET 75 2HG MET 75 -8.138 1.396 3.089 566 2HG MET 75 1HG MET 75 -7.241 2.819 2.554 567 1HE MET 75 1HE MET 75 -10.943 4.066 2.425 568 2HE MET 75 2HE MET 75 -9.320 4.364 3.051 569 3HE MET 75 3HE MET 75 -10.237 2.963 3.606 570 H MET 76 H MET 76 -4.094 1.155 0.466 571 HA MET 76 HA MET 76 -3.064 3.428 1.775 572 1HB MET 76 2HB MET 76 -1.625 1.328 0.141 573 2HB MET 76 1HB MET 76 -0.832 2.508 1.178 574 1HG MET 76 2HG MET 76 -1.982 1.561 3.122 575 2HG MET 76 1HG MET 76 -2.752 0.367 2.076 576 1HE MET 76 1HE MET 76 1.789 0.571 2.897 577 2HE MET 76 2HE MET 76 0.605 1.667 3.607 578 3HE MET 76 3HE MET 76 0.957 1.748 1.880 579 H THR 77 H THR 77 -3.458 2.605 -1.587 580 HA THR 77 HA THR 77 -1.869 4.729 -2.630 581 HB THR 77 HB THR 77 -4.095 3.188 -3.987 582 HG1 THR 77 1HG THR 77 -2.452 1.779 -3.295 583 1HG2 THR 77 1HG2 THR 77 -1.793 4.766 -5.147 584 2HG2 THR 77 2HG2 THR 77 -3.486 5.257 -5.161 585 3HG2 THR 77 3HG2 THR 77 -2.974 3.833 -6.067 586 H GLN 78 H GLN 78 -5.062 4.526 -1.350 587 HA GLN 78 HA GLN 78 -6.171 6.791 -2.694 588 1HB GLN 78 2HB GLN 78 -6.952 5.356 -0.155 589 2HB GLN 78 1HB GLN 78 -7.828 6.750 -0.764 590 1HG GLN 78 2HG GLN 78 -7.421 4.217 -2.334 591 2HG GLN 78 1HG GLN 78 -8.822 4.525 -1.311 592 1HE2 GLN 78 1HE2 GLN 78 -10.295 4.480 -2.955 593 2HE2 GLN 78 2HE2 GLN 78 -10.403 5.708 -4.164 594 H ALA 79 H ALA 79 -4.376 6.222 0.244 595 HA ALA 79 HA ALA 79 -4.432 9.002 1.035 596 1HB ALA 79 1HB ALA 79 -2.747 6.728 2.083 597 2HB ALA 79 2HB ALA 79 -4.322 7.210 2.716 598 3HB ALA 79 3HB ALA 79 -2.948 8.311 2.833 599 H ILE 80 H ILE 80 -2.364 6.817 -0.734 600 HA ILE 80 HA ILE 80 -0.012 8.441 -0.580 601 HB ILE 80 HB ILE 80 -0.506 5.825 -1.253 602 1HG1 ILE 80 2HG1 ILE 80 1.571 6.813 -0.293 603 2HG1 ILE 80 1HG1 ILE 80 1.872 5.596 -1.526 604 1HG2 ILE 80 1HG2 ILE 80 0.353 5.475 -3.525 605 2HG2 ILE 80 2HG2 ILE 80 0.327 7.219 -3.790 606 3HG2 ILE 80 3HG2 ILE 80 -1.181 6.346 -3.515 607 1HD1 ILE 80 1HD1 ILE 80 3.387 7.477 -1.741 608 2HD1 ILE 80 2HD1 ILE 80 2.016 8.573 -1.920 609 3HD1 ILE 80 3HD1 ILE 80 2.334 7.349 -3.150 610 H LYS 81 H LYS 81 -2.674 8.171 -2.808 611 HA LYS 81 HA LYS 81 -1.576 9.492 -5.030 612 1HB LYS 81 2HB LYS 81 -3.804 9.689 -5.856 613 2HB LYS 81 1HB LYS 81 -3.692 8.152 -5.006 614 1HG LYS 81 2HG LYS 81 -4.801 9.113 -3.072 615 2HG LYS 81 1HG LYS 81 -4.867 10.683 -3.873 616 1HD LYS 81 2HD LYS 81 -6.233 9.651 -5.667 617 2HD LYS 81 1HD LYS 81 -6.245 8.148 -4.740 618 1HE LYS 81 2HE LYS 81 -7.318 9.333 -2.872 619 2HE LYS 81 1HE LYS 81 -7.336 10.811 -3.835 620 1HZ LYS 81 1HZ LYS 81 -8.715 9.643 -5.472 621 2HZ LYS 81 2HZ LYS 81 -9.462 9.733 -3.956 622 3HZ LYS 81 3HZ LYS 81 -8.753 8.282 -4.462 623 H GLY 82 H GLY 82 -2.474 10.775 -1.997 624 1HA GLY 82 2HA GLY 82 -2.699 13.463 -3.202 625 2HA GLY 82 1HA GLY 82 -3.579 12.981 -1.762 626 H LYS 83 H LYS 83 -0.243 12.042 -2.256 627 HA LYS 83 HA LYS 83 0.590 14.159 -0.414 628 1HB LYS 83 2HB LYS 83 1.049 11.207 -0.014 629 2HB LYS 83 1HB LYS 83 2.035 12.430 0.782 630 1HG LYS 83 2HG LYS 83 -0.039 13.400 1.741 631 2HG LYS 83 1HG LYS 83 -0.942 12.055 1.050 632 1HD LYS 83 2HD LYS 83 0.267 10.480 2.423 633 2HD LYS 83 1HD LYS 83 1.325 11.762 3.022 634 1HE LYS 83 2HE LYS 83 -0.620 12.880 4.028 635 2HE LYS 83 1HE LYS 83 -1.658 11.579 3.453 636 1HZ LYS 83 1HZ LYS 83 -0.638 10.054 4.914 637 2HZ LYS 83 2HZ LYS 83 -0.944 11.443 5.835 638 3HZ LYS 83 3HZ LYS 83 0.627 11.122 5.293 639 H ASP 84 H ASP 84 3.285 12.849 -0.203 640 HA ASP 84 HA ASP 84 4.328 13.551 -2.806 641 1HB ASP 84 2HB ASP 84 5.733 14.629 -0.400 642 2HB ASP 84 1HB ASP 84 5.673 15.272 -2.035 643 H ILE 85 H ILE 85 6.458 12.789 -3.020 644 HA ILE 85 HA ILE 85 6.986 10.252 -1.925 645 HB ILE 85 HB ILE 85 8.819 12.167 -3.381 646 1HG1 ILE 85 2HG1 ILE 85 8.587 10.431 -5.198 647 2HG1 ILE 85 1HG1 ILE 85 7.340 9.666 -4.220 648 1HG2 ILE 85 1HG2 ILE 85 10.167 10.746 -1.942 649 2HG2 ILE 85 2HG2 ILE 85 10.388 10.312 -3.637 650 3HG2 ILE 85 3HG2 ILE 85 9.376 9.313 -2.595 651 1HD1 ILE 85 1HD1 ILE 85 7.246 12.458 -5.335 652 2HD1 ILE 85 2HD1 ILE 85 5.997 11.697 -4.350 653 3HD1 ILE 85 3HD1 ILE 85 6.372 11.054 -5.949 654 H GLU 86 H GLU 86 8.254 13.442 -1.251 655 HA GLU 86 HA GLU 86 10.135 12.900 0.707 656 1HB GLU 86 2HB GLU 86 9.582 15.081 -0.461 657 2HB GLU 86 1HB GLU 86 8.234 15.246 0.649 658 1HG GLU 86 2HG GLU 86 9.727 15.398 2.520 659 2HG GLU 86 1HG GLU 86 11.117 15.064 1.484 660 H THR 87 H THR 87 6.645 13.339 0.954 661 HA THR 87 HA THR 87 6.596 13.041 3.806 662 HB THR 87 HB THR 87 4.272 12.916 1.876 663 HG1 THR 87 1HG THR 87 4.401 15.046 1.723 664 1HG2 THR 87 1HG2 THR 87 4.424 13.658 4.803 665 2HG2 THR 87 2HG2 THR 87 3.735 12.173 4.146 666 3HG2 THR 87 3HG2 THR 87 2.975 13.727 3.800 667 H ALA 88 H ALA 88 6.062 10.965 1.012 668 HA ALA 88 HA ALA 88 4.927 8.768 2.390 669 1HB ALA 88 1HB ALA 88 5.457 7.480 0.392 670 2HB ALA 88 2HB ALA 88 6.508 8.777 -0.178 671 3HB ALA 88 3HB ALA 88 4.770 9.048 -0.039 672 H LEU 89 H LEU 89 8.253 9.607 1.526 673 HA LEU 89 HA LEU 89 9.478 7.297 2.577 674 1HB LEU 89 2HB LEU 89 10.377 10.022 1.816 675 2HB LEU 89 1HB LEU 89 11.437 9.095 2.858 676 HG LEU 89 HG LEU 89 11.667 7.363 1.209 677 1HD1 LEU 89 1HD1 LEU 89 10.586 7.515 -0.986 678 2HD1 LEU 89 2HD1 LEU 89 9.657 8.901 -0.417 679 3HD1 LEU 89 3HD1 LEU 89 9.419 7.319 0.323 680 1HD2 LEU 89 1HD2 LEU 89 11.911 10.076 -0.072 681 2HD2 LEU 89 2HD2 LEU 89 12.721 8.603 -0.602 682 3HD2 LEU 89 3HD2 LEU 89 13.110 9.307 0.967 683 H SER 90 H SER 90 8.422 10.284 4.037 684 HA SER 90 HA SER 90 9.594 9.789 6.584 685 1HB SER 90 2HB SER 90 7.236 11.545 5.845 686 2HB SER 90 1HB SER 90 8.137 11.607 7.363 687 HG SER 90 HG SER 90 8.927 12.396 4.772 688 H MET 91 H MET 91 6.547 8.995 5.034 689 HA MET 91 HA MET 91 5.206 7.988 7.316 690 1HB MET 91 2HB MET 91 4.021 8.596 5.270 691 2HB MET 91 1HB MET 91 4.864 7.335 4.384 692 1HG MET 91 2HG MET 91 3.783 5.658 5.863 693 2HG MET 91 1HG MET 91 2.849 6.968 6.586 694 1HE MET 91 1HE MET 91 1.160 8.484 5.231 695 2HE MET 91 2HE MET 91 0.780 8.261 3.523 696 3HE MET 91 3HE MET 91 2.379 8.828 4.005 697 H SER 92 H SER 92 7.421 6.557 5.017 698 HA SER 92 HA SER 92 7.076 3.908 6.065 699 1HB SER 92 2HB SER 92 9.135 3.494 4.528 700 2HB SER 92 1HB SER 92 7.585 3.879 3.780 701 HG SER 92 HG SER 92 8.492 5.553 2.939 702 H LYS 93 H LYS 93 9.256 6.623 6.424 703 HA LYS 93 HA LYS 93 11.208 5.337 8.002 704 1HB LYS 93 2HB LYS 93 11.495 7.607 7.054 705 2HB LYS 93 1HB LYS 93 10.270 8.211 8.160 706 1HG LYS 93 2HG LYS 93 11.699 7.546 10.059 707 2HG LYS 93 1HG LYS 93 12.939 7.039 8.910 708 1HD LYS 93 2HD LYS 93 11.830 9.832 9.192 709 2HD LYS 93 1HD LYS 93 13.387 9.277 9.807 710 1HE LYS 93 2HE LYS 93 14.050 8.728 7.475 711 2HE LYS 93 1HE LYS 93 12.530 9.429 6.920 712 1HZ LYS 93 1HZ LYS 93 13.232 11.534 7.999 713 2HZ LYS 93 2HZ LYS 93 14.226 11.059 6.709 714 3HZ LYS 93 3HZ LYS 93 14.750 10.834 8.307 715 H ILE 94 H ILE 94 8.144 6.942 8.832 716 HA ILE 94 HA ILE 94 8.435 6.287 11.617 717 HB ILE 94 HB ILE 94 7.136 8.287 10.839 718 1HG1 ILE 94 2HG1 ILE 94 5.600 6.306 12.535 719 2HG1 ILE 94 1HG1 ILE 94 6.901 7.343 13.110 720 1HG2 ILE 94 1HG2 ILE 94 5.960 7.299 8.958 721 2HG2 ILE 94 2HG2 ILE 94 4.813 7.968 10.119 722 3HG2 ILE 94 3HG2 ILE 94 5.084 6.227 10.048 723 1HD1 ILE 94 1HD1 ILE 94 5.557 9.314 12.617 724 2HD1 ILE 94 2HD1 ILE 94 4.712 8.221 13.713 725 3HD1 ILE 94 3HD1 ILE 94 4.262 8.284 12.009 726 H PHE 95 H PHE 95 7.026 4.789 8.765 727 HA PHE 95 HA PHE 95 5.503 2.815 10.095 728 1HB PHE 95 2HB PHE 95 5.479 3.215 7.618 729 2HB PHE 95 1HB PHE 95 7.056 2.438 7.519 730 HD1 PHE 95 1HD PHE 95 3.479 1.937 7.998 731 HD2 PHE 95 2HD PHE 95 7.286 0.037 7.869 732 HE1 PHE 95 1HE PHE 95 2.375 -0.252 7.803 733 HE2 PHE 95 2HE PHE 95 6.188 -2.156 7.678 734 HZ PHE 95 HZ PHE 95 3.728 -2.303 7.643 735 H SER 96 H SER 96 8.924 2.959 9.234 736 HA SER 96 HA SER 96 9.649 0.413 10.207 737 1HB SER 96 2HB SER 96 11.316 2.934 10.011 738 2HB SER 96 1HB SER 96 11.948 1.300 10.202 739 HG SER 96 HG SER 96 10.304 1.281 8.114 740 H ASP 97 H ASP 97 9.177 3.504 11.757 741 HA ASP 97 HA ASP 97 10.456 2.747 14.224 742 1HB ASP 97 2HB ASP 97 10.342 5.110 13.378 743 2HB ASP 97 1HB ASP 97 8.614 5.093 13.716 744 H MET 98 H MET 98 7.301 2.565 12.853 745 HA MET 98 HA MET 98 5.579 2.638 14.977 746 1HB MET 98 2HB MET 98 4.870 2.386 12.649 747 2HB MET 98 1HB MET 98 5.498 0.744 12.626 748 1HG MET 98 2HG MET 98 3.868 0.163 14.407 749 2HG MET 98 1HG MET 98 3.188 1.780 14.249 750 1HE MET 98 1HE MET 98 3.564 2.178 11.071 751 2HE MET 98 2HE MET 98 2.104 2.680 11.925 752 3HE MET 98 3HE MET 98 1.980 1.678 10.480 753 H MET 99 H MET 99 7.642 -0.040 14.016 754 HA MET 99 HA MET 99 6.414 -1.915 15.811 755 1HB MET 99 2HB MET 99 7.410 -2.643 13.690 756 2HB MET 99 1HB MET 99 8.986 -2.084 14.222 757 1HG MET 99 2HG MET 99 7.500 -4.169 15.770 758 2HG MET 99 1HG MET 99 8.432 -4.595 14.336 759 1HE MET 99 1HE MET 99 10.700 -5.834 17.281 760 2HE MET 99 2HE MET 99 9.907 -6.280 15.772 761 3HE MET 99 3HE MET 99 8.940 -5.870 17.186 762 H GLN 100 H GLN 100 8.927 0.416 16.013 763 HA GLN 100 HA GLN 100 10.217 -0.944 18.262 764 1HB GLN 100 2HB GLN 100 11.039 1.489 16.669 765 2HB GLN 100 1HB GLN 100 11.959 0.817 18.005 766 1HG GLN 100 2HG GLN 100 11.266 -0.815 15.589 767 2HG GLN 100 1HG GLN 100 12.684 0.227 15.635 768 1HE2 GLN 100 1HE2 GLN 100 11.512 -1.470 18.454 769 2HE2 GLN 100 2HE2 GLN 100 12.823 -2.590 18.565 770 H GLY 101 H GLY 101 8.502 1.987 17.400 771 1HA GLY 101 2HA GLY 101 8.810 3.188 19.998 772 2HA GLY 101 1HA GLY 101 7.771 3.757 18.698 773 H LYS 102 H LYS 102 5.936 2.053 18.232 774 HA LYS 102 HA LYS 102 4.756 0.835 20.544 775 1HB LYS 102 2HB LYS 102 3.732 3.533 19.643 776 2HB LYS 102 1HB LYS 102 2.707 2.387 20.482 777 1HG LYS 102 2HG LYS 102 4.160 2.478 22.426 778 2HG LYS 102 1HG LYS 102 5.241 3.588 21.579 779 1HD LYS 102 2HD LYS 102 3.805 4.851 23.049 780 2HD LYS 102 1HD LYS 102 3.363 5.192 21.376 781 1HE LYS 102 2HE LYS 102 1.351 4.912 22.645 782 2HE LYS 102 1HE LYS 102 1.535 3.517 21.582 783 1HZ LYS 102 1HZ LYS 102 2.228 3.594 24.472 784 2HZ LYS 102 2HZ LYS 102 2.388 2.245 23.451 785 3HZ LYS 102 3HZ LYS 102 0.849 2.864 23.805 786 H GLU 103 H GLU 103 2.976 2.672 18.216 787 HA GLU 103 HA GLU 103 2.508 0.853 16.178 788 1HB GLU 103 2HB GLU 103 1.533 -0.559 17.984 789 2HB GLU 103 1HB GLU 103 0.429 0.745 18.389 790 1HG GLU 103 2HG GLU 103 -0.516 0.558 16.088 791 2HG GLU 103 1HG GLU 103 0.491 -0.870 15.853 792 H TYR 104 H TYR 104 2.616 2.892 15.133 793 HA TYR 104 HA TYR 104 0.244 4.430 15.010 794 1HB TYR 104 2HB TYR 104 1.118 6.529 15.906 795 2HB TYR 104 1HB TYR 104 1.099 5.287 17.146 796 HD1 TYR 104 1HD TYR 104 3.021 7.807 15.606 797 HD2 TYR 104 2HD TYR 104 3.386 4.008 17.490 798 HE1 TYR 104 1HE TYR 104 5.391 8.266 16.060 799 HE2 TYR 104 2HE TYR 104 5.760 4.460 17.951 800 HH TYR 104 HH TYR 104 7.604 5.954 16.876 801 H ASP 105 H ASP 105 0.185 5.574 13.219 802 HA ASP 105 HA ASP 105 2.664 6.109 11.740 803 1HB ASP 105 2HB ASP 105 1.508 4.178 10.716 804 2HB ASP 105 1HB ASP 105 0.056 5.152 10.530 805 H ASP 106 H ASP 106 2.829 8.229 11.960 806 HA ASP 106 HA ASP 106 2.497 10.443 11.685 807 1HB ASP 106 2HB ASP 106 2.152 9.798 9.353 808 2HB ASP 106 1HB ASP 106 0.438 9.542 9.667 809 H SER 107 H SER 107 -0.876 9.468 11.133 810 HA SER 107 HA SER 107 -1.721 11.536 13.011 811 1HB SER 107 2HB SER 107 -3.396 9.806 11.181 812 2HB SER 107 1HB SER 107 -3.923 11.257 12.034 813 HG SER 107 HG SER 107 -1.689 11.604 10.434 814 H ILE 108 H ILE 108 -0.819 8.470 13.321 815 HA ILE 108 HA ILE 108 -1.164 6.771 14.759 816 HB ILE 108 HB ILE 108 -2.691 8.754 16.469 817 1HG1 ILE 108 2HG1 ILE 108 -0.326 8.661 17.686 818 2HG1 ILE 108 1HG1 ILE 108 0.238 8.293 16.061 819 1HG2 ILE 108 1HG2 ILE 108 -1.276 6.182 17.188 820 2HG2 ILE 108 2HG2 ILE 108 -3.021 6.427 17.130 821 3HG2 ILE 108 3HG2 ILE 108 -2.051 7.283 18.326 822 1HD1 ILE 108 1HD1 ILE 108 -0.739 10.384 15.257 823 2HD1 ILE 108 2HD1 ILE 108 0.438 10.655 16.543 824 3HD1 ILE 108 3HD1 ILE 108 -1.288 10.749 16.892 825 H ASP 109 H ASP 109 -2.670 6.471 12.711 826 HA ASP 109 HA ASP 109 -5.082 5.272 13.876 827 1HB ASP 109 2HB ASP 109 -5.643 7.283 12.399 828 2HB ASP 109 1HB ASP 109 -4.993 6.356 11.050 829 H LEU 110 H LEU 110 -5.131 3.127 13.518 830 HA LEU 110 HA LEU 110 -3.060 2.099 11.694 831 1HB LEU 110 2HB LEU 110 -4.018 0.930 14.311 832 2HB LEU 110 1HB LEU 110 -2.893 0.146 13.222 833 HG LEU 110 HG LEU 110 -1.553 1.053 14.913 834 1HD1 LEU 110 1HD1 LEU 110 -0.693 1.528 12.680 835 2HD1 LEU 110 2HD1 LEU 110 -0.221 2.776 13.834 836 3HD1 LEU 110 3HD1 LEU 110 -1.527 3.083 12.686 837 1HD2 LEU 110 1HD2 LEU 110 -1.710 3.388 15.683 838 2HD2 LEU 110 2HD2 LEU 110 -3.178 2.467 15.999 839 3HD2 LEU 110 3HD2 LEU 110 -3.128 3.610 14.658 840 H GLY 111 H GLY 111 -6.103 2.582 11.461 841 1HA GLY 111 2HA GLY 111 -7.452 0.128 11.431 842 2HA GLY 111 1HA GLY 111 -7.892 1.532 10.472 843 H ASP 112 H ASP 112 -5.979 1.835 8.683 844 HA ASP 112 HA ASP 112 -6.492 -0.270 6.844 845 1HB ASP 112 2HB ASP 112 -4.459 1.959 6.597 846 2HB ASP 112 1HB ASP 112 -5.166 1.025 5.283 847 H ILE 113 H ILE 113 -3.727 0.637 8.805 848 HA ILE 113 HA ILE 113 -1.865 -1.061 7.474 849 HB ILE 113 HB ILE 113 -1.647 0.252 10.184 850 1HG1 ILE 113 2HG1 ILE 113 -0.669 1.188 7.475 851 2HG1 ILE 113 1HG1 ILE 113 -2.089 1.819 8.303 852 1HG2 ILE 113 1HG2 ILE 113 -0.036 -1.557 9.894 853 2HG2 ILE 113 2HG2 ILE 113 0.771 0.011 9.867 854 3HG2 ILE 113 3HG2 ILE 113 0.485 -0.859 8.360 855 1HD1 ILE 113 1HD1 ILE 113 0.746 1.975 9.291 856 2HD1 ILE 113 2HD1 ILE 113 -0.674 2.616 10.118 857 3HD1 ILE 113 3HD1 ILE 113 -0.181 3.287 8.564 858 H GLU 114 H GLU 114 -3.884 -1.394 10.348 859 HA GLU 114 HA GLU 114 -2.676 -3.705 11.403 860 1HB GLU 114 2HB GLU 114 -4.311 -2.258 12.609 861 2HB GLU 114 1HB GLU 114 -5.587 -2.902 11.586 862 1HG GLU 114 2HG GLU 114 -5.278 -5.103 12.499 863 2HG GLU 114 1HG GLU 114 -3.876 -4.563 13.420 864 H ALA 115 H ALA 115 -4.975 -3.215 8.832 865 HA ALA 115 HA ALA 115 -5.598 -6.013 8.535 866 1HB ALA 115 1HB ALA 115 -6.153 -3.714 6.662 867 2HB ALA 115 2HB ALA 115 -7.225 -4.270 7.947 868 3HB ALA 115 3HB ALA 115 -6.865 -5.327 6.581 869 H LEU 116 H LEU 116 -2.967 -4.104 7.742 870 HA LEU 116 HA LEU 116 -2.293 -5.620 5.324 871 1HB LEU 116 2HB LEU 116 -2.029 -3.184 5.238 872 2HB LEU 116 1HB LEU 116 -0.965 -3.239 6.629 873 HG LEU 116 HG LEU 116 0.622 -4.625 5.242 874 1HD1 LEU 116 1HD1 LEU 116 0.380 -4.542 2.825 875 2HD1 LEU 116 2HD1 LEU 116 -1.170 -3.717 2.993 876 3HD1 LEU 116 3HD1 LEU 116 -0.987 -5.379 3.561 877 1HD2 LEU 116 1HD2 LEU 116 1.511 -2.695 4.047 878 2HD2 LEU 116 2HD2 LEU 116 0.971 -2.247 5.665 879 3HD2 LEU 116 3HD2 LEU 116 -0.020 -1.847 4.262 880 H GLN 117 H GLN 117 -1.095 -4.824 8.546 881 HA GLN 117 HA GLN 117 1.201 -6.530 8.302 882 1HB GLN 117 2HB GLN 117 1.739 -5.854 10.524 883 2HB GLN 117 1HB GLN 117 1.124 -4.443 9.677 884 1HG GLN 117 2HG GLN 117 -1.151 -5.278 10.780 885 2HG GLN 117 1HG GLN 117 -0.014 -5.937 11.957 886 1HE2 GLN 117 1HE2 GLN 117 1.844 -3.675 11.199 887 2HE2 GLN 117 2HE2 GLN 117 1.252 -2.323 12.092 888 H GLY 118 H GLY 118 -2.072 -6.942 9.228 889 1HA GLY 118 2HA GLY 118 -1.863 -9.169 10.933 890 2HA GLY 118 1HA GLY 118 -3.248 -8.781 9.925 891 H VAL 119 H VAL 119 -2.316 -9.039 7.398 892 HA VAL 119 HA VAL 119 -2.238 -11.877 7.125 893 HB VAL 119 HB VAL 119 -2.063 -11.438 4.680 894 1HG1 VAL 119 1HG1 VAL 119 -4.289 -10.408 4.473 895 2HG1 VAL 119 2HG1 VAL 119 -4.201 -9.914 6.164 896 3HG1 VAL 119 3HG1 VAL 119 -4.233 -11.627 5.746 897 1HG2 VAL 119 1HG2 VAL 119 -2.310 -9.122 3.888 898 2HG2 VAL 119 2HG2 VAL 119 -0.778 -9.384 4.722 899 3HG2 VAL 119 3HG2 VAL 119 -2.099 -8.549 5.543 900 H SER 120 H SER 120 0.134 -9.480 7.406 901 HA SER 120 HA SER 120 2.306 -10.450 5.981 902 1HB SER 120 2HB SER 120 2.287 -8.991 8.628 903 2HB SER 120 1HB SER 120 3.700 -9.193 7.593 904 HG SER 120 HG SER 120 1.344 -8.051 6.546 905 H LYS 121 H LYS 121 0.733 -12.207 8.335 906 HA LYS 121 HA LYS 121 3.229 -13.309 9.435 907 1HB LYS 121 2HB LYS 121 0.764 -12.529 10.992 908 2HB LYS 121 1HB LYS 121 2.082 -13.486 11.651 909 1HG LYS 121 2HG LYS 121 3.621 -11.625 11.264 910 2HG LYS 121 1HG LYS 121 2.285 -10.664 10.625 911 1HD LYS 121 2HD LYS 121 1.149 -10.776 12.766 912 2HD LYS 121 1HD LYS 121 2.418 -11.819 13.410 913 1HE LYS 121 2HE LYS 121 4.049 -10.019 13.093 914 2HE LYS 121 1HE LYS 121 2.774 -8.978 12.462 915 1HZ LYS 121 1HZ LYS 121 1.674 -9.030 14.575 916 2HZ LYS 121 2HZ LYS 121 3.296 -8.580 14.821 917 3HZ LYS 121 3HZ LYS 121 2.788 -10.152 15.189 918 H PHE 122 H PHE 122 0.305 -13.876 7.937 919 HA PHE 122 HA PHE 122 -0.046 -16.556 8.968 920 1HB PHE 122 2HB PHE 122 -1.358 -15.195 6.604 921 2HB PHE 122 1HB PHE 122 -1.852 -16.722 7.321 922 HD1 PHE 122 1HD PHE 122 -2.049 -16.348 10.085 923 HD2 PHE 122 2HD PHE 122 -2.843 -13.525 7.006 924 HE1 PHE 122 1HE PHE 122 -3.582 -15.150 11.584 925 HE2 PHE 122 2HE PHE 122 -4.376 -12.319 8.497 926 HZ PHE 122 HZ PHE 122 -4.751 -13.129 10.794 927 HA PRO 123 HA PRO 123 3.125 -18.322 6.449 928 1HB PRO 123 2HB PRO 123 1.228 -20.620 6.275 929 2HB PRO 123 1HB PRO 123 2.931 -20.598 6.748 930 1HG PRO 123 2HG PRO 123 1.025 -20.835 8.587 931 2HG PRO 123 1HG PRO 123 2.466 -19.849 8.893 932 1HD PRO 123 2HD PRO 123 -0.315 -18.992 8.240 933 2HD PRO 123 1HD PRO 123 0.884 -18.229 9.303 934 H ALA 124 H ALA 124 -0.146 -17.997 5.394 935 HA ALA 124 HA ALA 124 0.608 -18.644 2.643 936 1HB ALA 124 1HB ALA 124 -1.756 -18.853 2.181 937 2HB ALA 124 2HB ALA 124 -2.145 -18.320 3.817 938 3HB ALA 124 3HB ALA 124 -1.312 -19.854 3.564 939 H ARG 125 H ARG 125 0.296 -15.821 4.580 940 HA ARG 125 HA ARG 125 -0.494 -14.355 2.146 941 1HB ARG 125 2HB ARG 125 -1.096 -13.038 4.721 942 2HB ARG 125 1HB ARG 125 -2.006 -13.043 3.222 943 1HG ARG 125 2HG ARG 125 -1.964 -15.266 5.252 944 2HG ARG 125 1HG ARG 125 -3.234 -14.059 5.071 945 1HD ARG 125 2HD ARG 125 -2.430 -16.148 3.052 946 2HD ARG 125 1HD ARG 125 -3.878 -16.159 4.048 947 HE ARG 125 HE ARG 125 -3.515 -14.817 1.585 948 1HH1 ARG 125 1HH1 ARG 125 -5.118 -14.467 4.688 949 2HH1 ARG 125 2HH1 ARG 125 -6.455 -13.571 4.024 950 1HH2 ARG 125 1HH2 ARG 125 -5.297 -13.682 0.734 951 2HH2 ARG 125 2HH2 ARG 125 -6.549 -13.117 1.800 952 H ILE 126 H ILE 126 2.068 -15.092 3.762 953 HA ILE 126 HA ILE 126 3.084 -12.548 4.663 954 HB ILE 126 HB ILE 126 5.279 -13.726 4.842 955 1HG1 ILE 126 2HG1 ILE 126 3.706 -16.142 3.927 956 2HG1 ILE 126 1HG1 ILE 126 4.959 -15.326 3.000 957 1HG2 ILE 126 1HG2 ILE 126 2.958 -15.126 6.155 958 2HG2 ILE 126 2HG2 ILE 126 3.778 -13.679 6.739 959 3HG2 ILE 126 3HG2 ILE 126 4.640 -15.215 6.677 960 1HD1 ILE 126 1HD1 ILE 126 5.362 -16.736 5.629 961 2HD1 ILE 126 2HD1 ILE 126 6.613 -15.945 4.669 962 3HD1 ILE 126 3HD1 ILE 126 5.782 -17.367 4.036 963 H LYS 127 H LYS 127 3.034 -14.445 1.826 964 HA LYS 127 HA LYS 127 5.075 -12.905 0.433 965 1HB LYS 127 2HB LYS 127 4.546 -15.418 0.140 966 2HB LYS 127 1HB LYS 127 3.148 -14.884 -0.778 967 1HG LYS 127 2HG LYS 127 4.771 -15.354 -2.378 968 2HG LYS 127 1HG LYS 127 4.796 -13.595 -2.229 969 1HD LYS 127 2HD LYS 127 6.785 -13.643 -0.941 970 2HD LYS 127 1HD LYS 127 6.664 -15.389 -0.695 971 1HE LYS 127 2HE LYS 127 6.945 -15.679 -3.159 972 2HE LYS 127 1HE LYS 127 7.255 -13.947 -3.276 973 1HZ LYS 127 1HZ LYS 127 9.278 -15.369 -3.157 974 2HZ LYS 127 2HZ LYS 127 8.843 -15.784 -1.567 975 3HZ LYS 127 3HZ LYS 127 9.199 -14.171 -1.959 976 H CYS 128 H CYS 128 1.696 -12.963 0.942 977 HA CYS 128 HA CYS 128 1.031 -11.389 -1.398 978 1HB CYS 128 2HB CYS 128 -0.433 -13.230 -0.505 979 2HB CYS 128 1HB CYS 128 -0.747 -12.224 0.903 980 HG CYS 128 HG CYS 128 -1.610 -10.123 -1.091 981 H ALA 129 H ALA 129 1.598 -10.983 2.009 982 HA ALA 129 HA ALA 129 0.515 -8.331 2.182 983 1HB ALA 129 1HB ALA 129 1.551 -8.256 4.380 984 2HB ALA 129 2HB ALA 129 2.450 -9.730 4.022 985 3HB ALA 129 3HB ALA 129 0.692 -9.779 4.152 986 H THR 130 H THR 130 3.782 -9.692 1.956 987 HA THR 130 HA THR 130 5.164 -7.254 1.868 988 HB THR 130 HB THR 130 6.912 -8.636 0.581 989 HG1 THR 130 1HG THR 130 5.618 -10.933 1.487 990 1HG2 THR 130 1HG2 THR 130 5.963 -9.565 3.293 991 2HG2 THR 130 2HG2 THR 130 7.036 -8.202 2.980 992 3HG2 THR 130 3HG2 THR 130 7.566 -9.842 2.613 993 H LEU 131 H LEU 131 3.502 -9.114 -0.567 994 HA LEU 131 HA LEU 131 4.185 -7.869 -2.913 995 1HB LEU 131 2HB LEU 131 2.610 -9.739 -2.711 996 2HB LEU 131 1HB LEU 131 1.437 -8.683 -1.959 997 HG LEU 131 HG LEU 131 2.390 -8.225 -4.784 998 1HD1 LEU 131 1HD1 LEU 131 1.522 -10.492 -4.641 999 2HD1 LEU 131 2HD1 LEU 131 0.393 -9.446 -5.503 1000 3HD1 LEU 131 3HD1 LEU 131 0.075 -9.896 -3.829 1001 1HD2 LEU 131 1HD2 LEU 131 0.272 -7.061 -5.016 1002 2HD2 LEU 131 2HD2 LEU 131 1.174 -6.388 -3.656 1003 3HD2 LEU 131 3HD2 LEU 131 -0.172 -7.490 -3.364 1004 H SER 132 H SER 132 1.464 -6.858 -0.816 1005 HA SER 132 HA SER 132 1.011 -4.475 -2.286 1006 1HB SER 132 2HB SER 132 0.109 -5.190 0.514 1007 2HB SER 132 1HB SER 132 -0.582 -3.928 -0.509 1008 HG SER 132 HG SER 132 -0.747 -5.925 -2.035 1009 H TRP 133 H TRP 133 2.658 -5.120 0.765 1010 HA TRP 133 HA TRP 133 3.036 -2.445 1.539 1011 1HB TRP 133 2HB TRP 133 3.233 -4.212 3.167 1012 2HB TRP 133 1HB TRP 133 4.542 -4.965 2.264 1013 HD1 TRP 133 HD TRP 133 3.927 -1.547 4.025 1014 HE1 TRP 133 1HE TRP 133 6.138 -0.837 5.137 1015 HE3 TRP 133 3HE TRP 133 6.885 -5.440 2.527 1016 HZ2 TRP 133 2HZ TRP 133 8.775 -1.804 5.364 1017 HZ3 TRP 133 3HZ TRP 133 9.242 -5.473 3.237 1018 HH2 TRP 133 HH TRP 133 10.162 -3.688 4.627 1019 H LYS 134 H LYS 134 5.224 -4.732 -0.092 1020 HA LYS 134 HA LYS 134 7.306 -2.773 -0.263 1021 1HB LYS 134 2HB LYS 134 7.783 -5.193 -0.091 1022 2HB LYS 134 1HB LYS 134 7.087 -5.427 -1.687 1023 1HG LYS 134 2HG LYS 134 8.830 -4.192 -2.723 1024 2HG LYS 134 1HG LYS 134 9.434 -3.622 -1.167 1025 1HD LYS 134 2HD LYS 134 9.394 -6.511 -2.032 1026 2HD LYS 134 1HD LYS 134 10.797 -5.447 -2.163 1027 1HE LYS 134 2HE LYS 134 10.778 -5.119 0.257 1028 2HE LYS 134 1HE LYS 134 9.364 -6.163 0.395 1029 1HZ LYS 134 1HZ LYS 134 10.693 -7.989 -0.497 1030 2HZ LYS 134 2HZ LYS 134 11.363 -7.370 0.930 1031 3HZ LYS 134 3HZ LYS 134 12.053 -6.978 -0.568 1032 H ALA 135 H ALA 135 4.580 -3.597 -2.204 1033 HA ALA 135 HA ALA 135 5.421 -2.625 -4.696 1034 1HB ALA 135 1HB ALA 135 3.063 -2.272 -5.192 1035 2HB ALA 135 2HB ALA 135 2.666 -2.428 -3.480 1036 3HB ALA 135 3HB ALA 135 3.299 -3.815 -4.368 1037 H LEU 136 H LEU 136 4.126 -0.960 -1.852 1038 HA LEU 136 HA LEU 136 4.267 1.619 -3.176 1039 1HB LEU 136 2HB LEU 136 3.198 0.609 -0.639 1040 2HB LEU 136 1HB LEU 136 3.956 2.184 -0.504 1041 HG LEU 136 HG LEU 136 2.474 2.965 -2.384 1042 1HD1 LEU 136 1HD1 LEU 136 0.441 1.672 -2.836 1043 2HD1 LEU 136 2HD1 LEU 136 1.089 0.338 -1.879 1044 3HD1 LEU 136 3HD1 LEU 136 1.900 0.834 -3.365 1045 1HD2 LEU 136 1HD2 LEU 136 0.520 3.270 -0.981 1046 2HD2 LEU 136 2HD2 LEU 136 1.995 3.468 -0.033 1047 3HD2 LEU 136 3HD2 LEU 136 1.061 1.975 0.088 1048 H GLU 137 H GLU 137 6.074 -0.182 -0.747 1049 HA GLU 137 HA GLU 137 7.941 1.820 -0.075 1050 1HB GLU 137 2HB GLU 137 8.161 -1.195 -0.014 1051 2HB GLU 137 1HB GLU 137 9.374 -0.117 0.659 1052 1HG GLU 137 2HG GLU 137 6.506 -0.061 1.541 1053 2HG GLU 137 1HG GLU 137 7.704 -1.130 2.266 1054 H LYS 138 H LYS 138 7.586 -0.145 -2.870 1055 HA LYS 138 HA LYS 138 10.356 0.380 -3.708 1056 1HB LYS 138 2HB LYS 138 9.597 -1.911 -3.983 1057 2HB LYS 138 1HB LYS 138 8.218 -1.372 -4.928 1058 1HG LYS 138 2HG LYS 138 9.693 -0.619 -6.697 1059 2HG LYS 138 1HG LYS 138 11.103 -1.078 -5.740 1060 1HD LYS 138 2HD LYS 138 10.453 -3.403 -5.822 1061 2HD LYS 138 1HD LYS 138 8.951 -2.985 -6.651 1062 1HE LYS 138 2HE LYS 138 10.186 -2.199 -8.572 1063 2HE LYS 138 1HE LYS 138 11.714 -2.468 -7.737 1064 1HZ LYS 138 1HZ LYS 138 9.773 -4.622 -8.377 1065 2HZ LYS 138 2HZ LYS 138 11.343 -4.807 -7.761 1066 3HZ LYS 138 3HZ LYS 138 11.115 -4.231 -9.337 1067 H GLY 139 H GLY 139 7.036 1.143 -4.529 1068 1HA GLY 139 2HA GLY 139 7.522 2.256 -7.078 1069 2HA GLY 139 1HA GLY 139 6.119 2.572 -6.068 1070 H VAL 140 H VAL 140 6.996 3.910 -3.958 1071 HA VAL 140 HA VAL 140 8.049 6.356 -5.195 1072 HB VAL 140 HB VAL 140 7.081 7.556 -3.282 1073 1HG1 VAL 140 1HG1 VAL 140 4.717 7.190 -3.831 1074 2HG1 VAL 140 2HG1 VAL 140 5.147 5.687 -4.648 1075 3HG1 VAL 140 3HG1 VAL 140 5.726 7.230 -5.278 1076 1HG2 VAL 140 1HG2 VAL 140 7.294 5.790 -1.597 1077 2HG2 VAL 140 2HG2 VAL 140 6.048 4.854 -2.423 1078 3HG2 VAL 140 3HG2 VAL 140 5.642 6.402 -1.682 1079 H ALA 141 H ALA 141 9.353 3.876 -3.760 1080 HA ALA 141 HA ALA 141 11.283 3.449 -2.654 1081 1HB ALA 141 1HB ALA 141 12.266 5.410 -3.748 1082 2HB ALA 141 2HB ALA 141 12.868 5.206 -2.103 1083 3HB ALA 141 3HB ALA 141 11.654 6.437 -2.452 1084 H LYS 142 H LYS 142 12.385 4.178 -0.363 1085 HA LYS 142 HA LYS 142 10.217 4.584 1.543 1086 1HB LYS 142 2HB LYS 142 10.943 2.487 2.770 1087 2HB LYS 142 1HB LYS 142 10.039 2.246 1.283 1088 1HG LYS 142 2HG LYS 142 12.122 1.788 0.089 1089 2HG LYS 142 1HG LYS 142 13.029 2.032 1.584 1090 1HD LYS 142 2HD LYS 142 11.981 0.142 2.607 1091 2HD LYS 142 1HD LYS 142 10.856 -0.030 1.258 1092 1HE LYS 142 2HE LYS 142 13.848 -0.374 1.100 1093 2HE LYS 142 1HE LYS 142 12.672 -1.685 1.179 1094 1HZ LYS 142 1HZ LYS 142 13.247 -1.391 -1.082 1095 2HZ LYS 142 2HZ LYS 142 13.031 0.287 -1.008 1096 3HZ LYS 142 3HZ LYS 142 11.697 -0.741 -0.898 1097 H GLU 143 H GLU 143 10.810 5.338 3.482 1098 HA GLU 143 HA GLU 143 12.016 6.340 5.098 1099 1HB GLU 143 2HB GLU 143 13.160 4.141 5.275 1100 2HB GLU 143 1HB GLU 143 14.365 4.704 4.123 1101 1HG GLU 143 2HG GLU 143 14.918 6.545 5.690 1102 2HG GLU 143 1HG GLU 143 13.813 5.824 6.859 1103 H GLU 144 H GLU 144 14.409 6.002 2.481 1104 HA GLU 144 HA GLU 144 14.358 8.781 1.844 1105 1HB GLU 144 2HB GLU 144 15.591 8.876 3.977 1106 2HB GLU 144 1HB GLU 144 16.773 7.742 3.343 1107 1HG GLU 144 2HG GLU 144 17.487 9.343 1.689 1108 2HG GLU 144 1HG GLU 144 16.219 10.465 2.191 1109 H GLY 145 H GLY 145 16.293 5.805 1.811 1110 1HA GLY 145 2HA GLY 145 17.056 6.410 -0.967 1111 2HA GLY 145 1HA GLY 145 17.859 5.252 0.083 1112 H GLY 146 H GLY 146 17.686 3.392 -1.018 1113 1HA GLY 146 2HA GLY 146 14.945 2.551 -1.768 1114 2HA GLY 146 1HA GLY 146 16.383 2.079 -2.664 1115 H ASN 147 H ASN 147 17.423 2.033 0.368 1116 HA ASN 147 HA ASN 147 16.905 -0.834 0.660 1117 1HB ASN 147 2HB ASN 147 18.970 0.973 1.934 1118 2HB ASN 147 1HB ASN 147 18.774 -0.729 2.342 1119 1HD2 ASN 147 1HD2 ASN 147 21.029 0.753 1.130 1120 2HD2 ASN 147 2HD2 ASN 147 21.376 -0.083 -0.348 Start of MODEL 3 1 1H MET 1 1HT MET 1 -17.509 -9.889 24.427 2 2H MET 1 2HT MET 1 -18.390 -8.508 24.869 3 3H MET 1 3HT MET 1 -18.504 -9.920 25.802 4 HA MET 1 HA MET 1 -17.109 -8.266 26.867 5 1HB MET 1 2HB MET 1 -15.750 -10.765 25.858 6 2HB MET 1 1HB MET 1 -15.049 -9.725 27.089 7 1HG MET 1 2HG MET 1 -17.008 -10.114 28.512 8 2HG MET 1 1HG MET 1 -17.665 -11.200 27.287 9 1HE MET 1 1HE MET 1 -17.272 -12.007 30.326 10 2HE MET 1 2HE MET 1 -16.579 -13.623 30.179 11 3HE MET 1 3HE MET 1 -17.900 -13.129 29.121 12 H SER 2 H SER 2 -14.168 -8.778 26.160 13 HA SER 2 HA SER 2 -13.837 -6.318 24.763 14 1HB SER 2 2HB SER 2 -11.780 -8.390 25.556 15 2HB SER 2 1HB SER 2 -11.427 -6.751 25.008 16 HG SER 2 HG SER 2 -11.506 -6.379 27.095 17 H PHE 3 H PHE 3 -14.931 -6.800 22.799 18 HA PHE 3 HA PHE 3 -13.031 -7.713 20.797 19 1HB PHE 3 2HB PHE 3 -14.477 -9.680 21.189 20 2HB PHE 3 1HB PHE 3 -15.901 -8.698 20.864 21 HD1 PHE 3 1HD PHE 3 -12.674 -9.657 19.257 22 HD2 PHE 3 2HD PHE 3 -16.803 -8.761 18.756 23 HE1 PHE 3 1HE PHE 3 -12.495 -10.194 16.863 24 HE2 PHE 3 2HE PHE 3 -16.632 -9.293 16.360 25 HZ PHE 3 HZ PHE 3 -14.476 -10.010 15.410 26 H ASN 4 H ASN 4 -12.774 -5.556 20.326 27 HA ASN 4 HA ASN 4 -15.159 -4.115 19.378 28 1HB ASN 4 2HB ASN 4 -12.594 -2.937 20.473 29 2HB ASN 4 1HB ASN 4 -14.051 -2.050 20.033 30 1HD2 ASN 4 1HD2 ASN 4 -15.838 -2.127 21.389 31 2HD2 ASN 4 2HD2 ASN 4 -15.739 -2.699 23.019 32 H ALA 5 H ALA 5 -11.694 -4.607 18.837 33 HA ALA 5 HA ALA 5 -12.072 -4.501 15.982 34 1HB ALA 5 1HB ALA 5 -10.297 -2.444 17.301 35 2HB ALA 5 2HB ALA 5 -11.843 -2.116 16.520 36 3HB ALA 5 3HB ALA 5 -10.481 -2.704 15.567 37 H ASN 6 H ASN 6 -10.564 -5.690 14.933 38 HA ASN 6 HA ASN 6 -8.031 -6.306 16.212 39 1HB ASN 6 2HB ASN 6 -9.611 -8.050 17.034 40 2HB ASN 6 1HB ASN 6 -9.927 -8.515 15.366 41 1HD2 ASN 6 1HD2 ASN 6 -8.456 -9.763 14.283 42 2HD2 ASN 6 2HD2 ASN 6 -7.062 -10.463 15.035 43 H LEU 7 H LEU 7 -9.721 -8.021 13.600 44 HA LEU 7 HA LEU 7 -8.130 -6.566 11.620 45 1HB LEU 7 2HB LEU 7 -6.828 -8.563 12.099 46 2HB LEU 7 1HB LEU 7 -8.238 -9.575 11.843 47 HG LEU 7 HG LEU 7 -8.272 -8.888 9.464 48 1HD1 LEU 7 1HD1 LEU 7 -5.702 -7.481 10.165 49 2HD1 LEU 7 2HD1 LEU 7 -7.210 -6.726 9.649 50 3HD1 LEU 7 3HD1 LEU 7 -6.309 -7.750 8.531 51 1HD2 LEU 7 1HD2 LEU 7 -6.280 -10.154 8.782 52 2HD2 LEU 7 2HD2 LEU 7 -7.160 -10.947 10.090 53 3HD2 LEU 7 3HD2 LEU 7 -5.672 -10.065 10.435 54 H ASP 8 H ASP 8 -10.679 -8.932 12.243 55 HA ASP 8 HA ASP 8 -11.922 -8.995 9.762 56 1HB ASP 8 2HB ASP 8 -12.518 -10.524 11.552 57 2HB ASP 8 1HB ASP 8 -13.132 -9.193 12.527 58 H THR 9 H THR 9 -12.516 -6.814 12.483 59 HA THR 9 HA THR 9 -14.635 -5.354 11.427 60 HB THR 9 HB THR 9 -12.539 -4.074 13.156 61 HG1 THR 9 1HG THR 9 -14.388 -6.136 13.897 62 1HG2 THR 9 1HG2 THR 9 -14.521 -3.143 14.282 63 2HG2 THR 9 2HG2 THR 9 -15.566 -4.038 13.180 64 3HG2 THR 9 3HG2 THR 9 -14.518 -2.761 12.561 65 H LEU 10 H LEU 10 -11.184 -5.082 10.890 66 HA LEU 10 HA LEU 10 -11.313 -2.484 9.691 67 1HB LEU 10 2HB LEU 10 -9.116 -4.555 9.641 68 2HB LEU 10 1HB LEU 10 -8.957 -2.897 9.096 69 HG LEU 10 HG LEU 10 -9.542 -3.747 11.936 70 1HD1 LEU 10 1HD1 LEU 10 -7.272 -2.935 12.389 71 2HD1 LEU 10 2HD1 LEU 10 -7.028 -2.680 10.660 72 3HD1 LEU 10 3HD1 LEU 10 -7.279 -4.311 11.286 73 1HD2 LEU 10 1HD2 LEU 10 -10.537 -1.593 11.398 74 2HD2 LEU 10 2HD2 LEU 10 -8.996 -1.026 10.754 75 3HD2 LEU 10 3HD2 LEU 10 -9.154 -1.390 12.474 76 H TYR 11 H TYR 11 -10.791 -5.769 8.459 77 HA TYR 11 HA TYR 11 -10.690 -5.218 5.747 78 1HB TYR 11 2HB TYR 11 -11.579 -7.624 7.297 79 2HB TYR 11 1HB TYR 11 -11.794 -7.580 5.553 80 HD1 TYR 11 1HD TYR 11 -9.998 -9.337 7.495 81 HD2 TYR 11 2HD TYR 11 -9.256 -6.095 4.842 82 HE1 TYR 11 1HE TYR 11 -7.690 -10.127 7.189 83 HE2 TYR 11 2HE TYR 11 -6.940 -6.873 4.530 84 HH TYR 11 HH TYR 11 -5.270 -8.249 5.708 85 H ARG 12 H ARG 12 -13.478 -5.833 7.828 86 HA ARG 12 HA ARG 12 -15.538 -5.829 5.993 87 1HB ARG 12 2HB ARG 12 -15.580 -6.110 8.553 88 2HB ARG 12 1HB ARG 12 -15.697 -4.358 8.620 89 1HG ARG 12 2HG ARG 12 -17.767 -4.446 7.330 90 2HG ARG 12 1HG ARG 12 -17.653 -6.208 7.270 91 1HD ARG 12 2HD ARG 12 -17.547 -6.077 9.837 92 2HD ARG 12 1HD ARG 12 -18.147 -4.432 9.638 93 HE ARG 12 HE ARG 12 -19.739 -6.332 8.215 94 1HH1 ARG 12 1HH1 ARG 12 -19.173 -4.911 11.379 95 2HH1 ARG 12 2HH1 ARG 12 -20.730 -5.378 12.003 96 1HH2 ARG 12 1HH2 ARG 12 -21.768 -6.947 9.040 97 2HH2 ARG 12 2HH2 ARG 12 -22.209 -6.515 10.663 98 H GLN 13 H GLN 13 -13.948 -3.082 7.537 99 HA GLN 13 HA GLN 13 -15.450 -1.095 6.145 100 1HB GLN 13 2HB GLN 13 -14.455 -0.629 8.326 101 2HB GLN 13 1HB GLN 13 -12.848 -0.912 7.677 102 1HG GLN 13 2HG GLN 13 -13.066 1.027 6.237 103 2HG GLN 13 1HG GLN 13 -14.706 1.295 6.828 104 1HE2 GLN 13 1HE2 GLN 13 -14.182 3.341 7.591 105 2HE2 GLN 13 2HE2 GLN 13 -13.232 3.574 9.013 106 H VAL 14 H VAL 14 -12.241 -2.581 5.743 107 HA VAL 14 HA VAL 14 -11.293 -0.881 3.720 108 HB VAL 14 HB VAL 14 -10.665 -3.801 4.192 109 1HG1 VAL 14 1HG1 VAL 14 -10.086 -3.198 1.912 110 2HG1 VAL 14 2HG1 VAL 14 -8.625 -3.391 2.880 111 3HG1 VAL 14 3HG1 VAL 14 -9.216 -1.776 2.487 112 1HG2 VAL 14 1HG2 VAL 14 -8.646 -2.937 5.280 113 2HG2 VAL 14 2HG2 VAL 14 -10.111 -2.352 6.073 114 3HG2 VAL 14 3HG2 VAL 14 -9.204 -1.287 4.998 115 H ILE 15 H ILE 15 -13.081 -3.954 3.419 116 HA ILE 15 HA ILE 15 -13.014 -3.825 0.569 117 HB ILE 15 HB ILE 15 -14.613 -5.729 0.616 118 1HG1 ILE 15 2HG1 ILE 15 -14.686 -6.836 3.001 119 2HG1 ILE 15 1HG1 ILE 15 -14.526 -5.177 3.561 120 1HG2 ILE 15 1HG2 ILE 15 -12.140 -6.007 2.308 121 2HG2 ILE 15 2HG2 ILE 15 -12.225 -6.092 0.549 122 3HG2 ILE 15 3HG2 ILE 15 -13.004 -7.332 1.530 123 1HD1 ILE 15 1HD1 ILE 15 -16.557 -4.582 2.349 124 2HD1 ILE 15 2HD1 ILE 15 -16.840 -5.871 3.519 125 3HD1 ILE 15 3HD1 ILE 15 -16.712 -6.252 1.802 126 H MET 16 H MET 16 -15.114 -2.498 2.975 127 HA MET 16 HA MET 16 -17.352 -2.144 1.227 128 1HB MET 16 2HB MET 16 -16.596 -0.995 3.889 129 2HB MET 16 1HB MET 16 -17.945 -0.319 2.986 130 1HG MET 16 2HG MET 16 -17.666 -3.183 3.868 131 2HG MET 16 1HG MET 16 -18.692 -1.962 4.616 132 1HE MET 16 1HE MET 16 -21.305 -1.266 1.767 133 2HE MET 16 2HE MET 16 -19.786 -0.413 2.032 134 3HE MET 16 3HE MET 16 -20.795 -0.861 3.407 135 H ASP 17 H ASP 17 -14.640 -0.063 2.213 136 HA ASP 17 HA ASP 17 -15.488 2.212 0.759 137 1HB ASP 17 2HB ASP 17 -13.727 2.274 2.524 138 2HB ASP 17 1HB ASP 17 -12.639 1.429 1.428 139 H HIS 18 H HIS 18 -13.503 -0.566 -0.083 140 HA HIS 18 HA HIS 18 -12.853 0.427 -2.689 141 1HB HIS 18 2HB HIS 18 -11.479 -1.227 -1.337 142 2HB HIS 18 1HB HIS 18 -12.673 -2.445 -1.780 143 HD1 HIS 18 1HD HIS 18 -12.053 -3.747 -3.797 144 HD2 HIS 18 2HD HIS 18 -10.409 0.078 -3.846 145 HE1 HIS 18 1HE HIS 18 -10.663 -3.626 -5.894 146 HE2 HIS 18 2HE HIS 18 -9.571 -1.354 -5.828 147 H TYR 19 H TYR 19 -15.533 -1.257 -1.320 148 HA TYR 19 HA TYR 19 -16.543 -2.328 -3.770 149 1HB TYR 19 2HB TYR 19 -17.325 -3.196 -1.625 150 2HB TYR 19 1HB TYR 19 -17.972 -1.617 -1.196 151 HD1 TYR 19 1HD TYR 19 -20.135 -0.968 -1.875 152 HD2 TYR 19 2HD TYR 19 -18.374 -4.459 -3.548 153 HE1 TYR 19 1HE TYR 19 -22.294 -1.558 -2.895 154 HE2 TYR 19 2HE TYR 19 -20.527 -5.063 -4.572 155 HH TYR 19 HH TYR 19 -22.957 -4.612 -4.172 156 H LYS 20 H LYS 20 -16.972 0.675 -1.984 157 HA LYS 20 HA LYS 20 -18.860 1.802 -3.801 158 1HB LYS 20 2HB LYS 20 -17.079 3.052 -1.708 159 2HB LYS 20 1HB LYS 20 -18.256 3.958 -2.649 160 1HG LYS 20 2HG LYS 20 -18.875 1.670 -0.789 161 2HG LYS 20 1HG LYS 20 -19.126 3.383 -0.450 162 1HD LYS 20 2HD LYS 20 -20.457 1.801 -2.652 163 2HD LYS 20 1HD LYS 20 -21.208 2.290 -1.132 164 1HE LYS 20 2HE LYS 20 -20.171 4.135 -3.288 165 2HE LYS 20 1HE LYS 20 -21.864 3.778 -2.944 166 1HZ LYS 20 1HZ LYS 20 -21.242 5.873 -1.964 167 2HZ LYS 20 2HZ LYS 20 -19.954 5.155 -1.131 168 3HZ LYS 20 3HZ LYS 20 -21.554 4.749 -0.731 169 H ASN 21 H ASN 21 -15.470 1.421 -3.810 170 HA ASN 21 HA ASN 21 -15.295 3.164 -6.177 171 1HB ASN 21 2HB ASN 21 -13.153 2.532 -4.135 172 2HB ASN 21 1HB ASN 21 -12.844 3.353 -5.660 173 1HD2 ASN 21 1HD2 ASN 21 -14.158 3.618 -2.473 174 2HD2 ASN 21 2HD2 ASN 21 -14.435 5.326 -2.509 175 HA PRO 22 HA PRO 22 -14.636 -1.210 -7.393 176 1HB PRO 22 2HB PRO 22 -16.179 -1.227 -9.581 177 2HB PRO 22 1HB PRO 22 -16.878 -1.289 -7.959 178 1HG PRO 22 2HG PRO 22 -16.625 1.034 -9.827 179 2HG PRO 22 1HG PRO 22 -17.985 0.573 -8.787 180 1HD PRO 22 2HD PRO 22 -16.126 2.509 -8.155 181 2HD PRO 22 1HD PRO 22 -17.096 1.622 -6.963 182 H ARG 23 H ARG 23 -13.119 1.358 -8.230 183 HA ARG 23 HA ARG 23 -12.316 0.567 -10.924 184 1HB ARG 23 2HB ARG 23 -11.799 3.044 -9.290 185 2HB ARG 23 1HB ARG 23 -10.824 2.667 -10.704 186 1HG ARG 23 2HG ARG 23 -12.488 4.137 -11.456 187 2HG ARG 23 1HG ARG 23 -12.996 2.537 -11.999 188 1HD ARG 23 2HD ARG 23 -14.393 2.446 -9.867 189 2HD ARG 23 1HD ARG 23 -14.082 4.176 -9.726 190 HE ARG 23 HE ARG 23 -15.683 2.843 -11.782 191 1HH1 ARG 23 1HH1 ARG 23 -14.429 5.811 -10.409 192 2HH1 ARG 23 2HH1 ARG 23 -15.521 6.835 -11.288 193 1HH2 ARG 23 1HH2 ARG 23 -17.144 4.187 -12.920 194 2HH2 ARG 23 2HH2 ARG 23 -17.080 5.908 -12.695 195 H ASN 24 H ASN 24 -11.139 -1.204 -10.672 196 HA ASN 24 HA ASN 24 -8.804 -1.038 -8.881 197 1HB ASN 24 2HB ASN 24 -10.763 -2.759 -8.451 198 2HB ASN 24 1HB ASN 24 -9.967 -3.663 -9.735 199 1HD2 ASN 24 1HD2 ASN 24 -9.376 -5.322 -8.379 200 2HD2 ASN 24 2HD2 ASN 24 -8.131 -5.153 -7.198 201 H LYS 25 H LYS 25 -9.286 -0.274 -11.701 202 HA LYS 25 HA LYS 25 -6.978 -1.673 -12.825 203 1HB LYS 25 2HB LYS 25 -9.654 -1.299 -14.136 204 2HB LYS 25 1HB LYS 25 -8.190 -1.415 -15.102 205 1HG LYS 25 2HG LYS 25 -7.714 -3.601 -14.116 206 2HG LYS 25 1HG LYS 25 -9.194 -3.487 -13.162 207 1HD LYS 25 2HD LYS 25 -10.550 -3.546 -15.115 208 2HD LYS 25 1HD LYS 25 -9.149 -3.347 -16.169 209 1HE LYS 25 2HE LYS 25 -9.972 -5.667 -16.122 210 2HE LYS 25 1HE LYS 25 -8.315 -5.523 -15.539 211 1HZ LYS 25 1HZ LYS 25 -10.705 -5.680 -13.776 212 2HZ LYS 25 2HZ LYS 25 -9.080 -5.699 -13.286 213 3HZ LYS 25 3HZ LYS 25 -9.713 -6.998 -14.175 214 H GLY 26 H GLY 26 -5.494 -0.181 -13.013 215 1HA GLY 26 2HA GLY 26 -5.998 2.081 -14.742 216 2HA GLY 26 1HA GLY 26 -5.526 2.497 -13.097 217 H VAL 27 H VAL 27 -4.199 2.528 -15.937 218 HA VAL 27 HA VAL 27 -1.669 1.412 -14.973 219 HB VAL 27 HB VAL 27 -2.510 -0.305 -16.406 220 1HG1 VAL 27 1HG1 VAL 27 -3.084 0.086 -18.759 221 2HG1 VAL 27 2HG1 VAL 27 -2.879 1.820 -18.514 222 3HG1 VAL 27 3HG1 VAL 27 -4.159 0.953 -17.663 223 1HG2 VAL 27 1HG2 VAL 27 -0.128 0.148 -16.571 224 2HG2 VAL 27 2HG2 VAL 27 -0.423 1.311 -17.863 225 3HG2 VAL 27 3HG2 VAL 27 -0.768 -0.399 -18.122 226 H LEU 28 H LEU 28 -0.533 3.176 -14.678 227 HA LEU 28 HA LEU 28 -0.224 4.999 -16.984 228 1HB LEU 28 2HB LEU 28 -1.103 5.800 -14.634 229 2HB LEU 28 1HB LEU 28 0.592 5.731 -14.199 230 HG LEU 28 HG LEU 28 -0.414 7.346 -16.535 231 1HD1 LEU 28 1HD1 LEU 28 0.056 8.232 -13.693 232 2HD1 LEU 28 2HD1 LEU 28 -1.512 8.106 -14.491 233 3HD1 LEU 28 3HD1 LEU 28 -0.327 9.284 -15.056 234 1HD2 LEU 28 1HD2 LEU 28 2.119 7.509 -14.906 235 2HD2 LEU 28 2HD2 LEU 28 1.699 8.513 -16.294 236 3HD2 LEU 28 3HD2 LEU 28 1.982 6.786 -16.509 237 H ASN 29 H ASN 29 1.283 3.553 -17.901 238 HA ASN 29 HA ASN 29 3.523 2.591 -16.336 239 1HB ASN 29 2HB ASN 29 2.192 1.331 -18.170 240 2HB ASN 29 1HB ASN 29 3.168 2.247 -19.309 241 1HD2 ASN 29 1HD2 ASN 29 5.349 1.780 -19.522 242 2HD2 ASN 29 2HD2 ASN 29 6.065 0.359 -18.833 243 H ASP 30 H ASP 30 3.021 5.502 -17.399 244 HA ASP 30 HA ASP 30 5.410 5.863 -19.025 245 1HB ASP 30 2HB ASP 30 3.142 7.745 -18.359 246 2HB ASP 30 1HB ASP 30 4.518 8.167 -19.376 247 H SER 31 H SER 31 4.865 5.766 -15.819 248 HA SER 31 HA SER 31 7.230 7.398 -15.364 249 1HB SER 31 2HB SER 31 4.695 7.755 -13.745 250 2HB SER 31 1HB SER 31 6.252 8.498 -13.377 251 HG SER 31 HG SER 31 5.671 9.011 -15.920 252 H ILE 32 H ILE 32 5.417 6.484 -12.571 253 HA ILE 32 HA ILE 32 7.449 4.522 -11.917 254 HB ILE 32 HB ILE 32 5.017 5.352 -10.325 255 1HG1 ILE 32 2HG1 ILE 32 7.906 6.218 -10.068 256 2HG1 ILE 32 1HG1 ILE 32 6.590 7.211 -10.690 257 1HG2 ILE 32 1HG2 ILE 32 7.470 3.803 -9.491 258 2HG2 ILE 32 2HG2 ILE 32 5.854 3.134 -9.723 259 3HG2 ILE 32 3HG2 ILE 32 6.149 4.302 -8.435 260 1HD1 ILE 32 1HD1 ILE 32 5.479 7.088 -8.518 261 2HD1 ILE 32 2HD1 ILE 32 7.092 7.791 -8.400 262 3HD1 ILE 32 3HD1 ILE 32 6.819 6.122 -7.894 263 H VAL 33 H VAL 33 7.255 2.400 -12.125 264 HA VAL 33 HA VAL 33 4.576 1.265 -12.585 265 HB VAL 33 HB VAL 33 7.069 0.348 -14.026 266 1HG1 VAL 33 1HG1 VAL 33 5.477 -0.911 -15.415 267 2HG1 VAL 33 2HG1 VAL 33 4.159 -0.358 -14.381 268 3HG1 VAL 33 3HG1 VAL 33 5.422 -1.397 -13.721 269 1HG2 VAL 33 1HG2 VAL 33 6.106 1.371 -16.041 270 2HG2 VAL 33 2HG2 VAL 33 6.484 2.573 -14.806 271 3HG2 VAL 33 3HG2 VAL 33 4.814 2.065 -15.061 272 H VAL 34 H VAL 34 4.292 0.268 -10.650 273 HA VAL 34 HA VAL 34 6.367 -1.677 -9.859 274 HB VAL 34 HB VAL 34 4.329 -0.337 -8.066 275 1HG1 VAL 34 1HG1 VAL 34 6.630 -2.161 -7.367 276 2HG1 VAL 34 2HG1 VAL 34 4.928 -2.618 -7.367 277 3HG1 VAL 34 3HG1 VAL 34 5.512 -1.404 -6.231 278 1HG2 VAL 34 1HG2 VAL 34 6.012 1.253 -8.748 279 2HG2 VAL 34 2HG2 VAL 34 7.298 0.114 -8.346 280 3HG2 VAL 34 3HG2 VAL 34 6.289 0.792 -7.068 281 H ASP 35 H ASP 35 5.785 -3.726 -10.179 282 HA ASP 35 HA ASP 35 2.933 -4.410 -9.947 283 1HB ASP 35 2HB ASP 35 3.106 -5.968 -11.779 284 2HB ASP 35 1HB ASP 35 3.683 -4.400 -12.333 285 H MET 36 H MET 36 2.459 -6.402 -9.035 286 HA MET 36 HA MET 36 4.655 -7.979 -7.961 287 1HB MET 36 2HB MET 36 2.397 -6.791 -6.338 288 2HB MET 36 1HB MET 36 3.401 -8.118 -5.770 289 1HG MET 36 2HG MET 36 4.396 -5.377 -6.518 290 2HG MET 36 1HG MET 36 4.099 -5.946 -4.876 291 1HE MET 36 1HE MET 36 6.594 -5.162 -4.292 292 2HE MET 36 2HE MET 36 6.846 -4.679 -5.969 293 3HE MET 36 3HE MET 36 8.018 -5.725 -5.167 294 H ASN 37 H ASN 37 4.315 -10.004 -8.286 295 HA ASN 37 HA ASN 37 1.646 -10.945 -9.064 296 1HB ASN 37 2HB ASN 37 4.367 -12.209 -9.490 297 2HB ASN 37 1HB ASN 37 2.841 -12.880 -10.048 298 1HD2 ASN 37 1HD2 ASN 37 1.692 -10.381 -10.873 299 2HD2 ASN 37 2HD2 ASN 37 2.544 -9.878 -12.292 300 H ASN 38 H ASN 38 0.572 -12.440 -7.874 301 HA ASN 38 HA ASN 38 2.076 -13.926 -5.816 302 1HB ASN 38 2HB ASN 38 0.859 -12.021 -4.774 303 2HB ASN 38 1HB ASN 38 -0.640 -12.616 -5.462 304 1HD2 ASN 38 1HD2 ASN 38 1.809 -14.712 -4.087 305 2HD2 ASN 38 2HD2 ASN 38 0.889 -15.192 -2.695 306 HA PRO 39 HA PRO 39 1.213 -16.950 -8.899 307 1HB PRO 39 2HB PRO 39 0.530 -18.508 -6.432 308 2HB PRO 39 1HB PRO 39 1.457 -19.007 -7.852 309 1HG PRO 39 2HG PRO 39 2.568 -18.032 -5.509 310 2HG PRO 39 1HG PRO 39 3.371 -18.043 -7.086 311 1HD PRO 39 2HD PRO 39 2.589 -15.766 -5.569 312 2HD PRO 39 1HD PRO 39 3.226 -15.780 -7.225 313 H THR 40 H THR 40 -1.087 -18.022 -6.437 314 HA THR 40 HA THR 40 -3.257 -17.483 -8.362 315 HB THR 40 HB THR 40 -4.430 -19.392 -7.111 316 HG1 THR 40 1HG THR 40 -3.321 -20.207 -5.506 317 1HG2 THR 40 1HG2 THR 40 -1.976 -19.982 -8.765 318 2HG2 THR 40 2HG2 THR 40 -3.589 -19.635 -9.386 319 3HG2 THR 40 3HG2 THR 40 -3.298 -21.109 -8.462 320 H CYS 41 H CYS 41 -2.111 -15.885 -6.044 321 HA CYS 41 HA CYS 41 -4.626 -15.557 -4.560 322 1HB CYS 41 2HB CYS 41 -3.154 -16.893 -3.153 323 2HB CYS 41 1HB CYS 41 -1.848 -15.735 -3.362 324 HG CYS 41 HG CYS 41 -3.821 -15.890 -0.887 325 H GLY 42 H GLY 42 -2.906 -14.130 -6.720 326 1HA GLY 42 2HA GLY 42 -3.720 -11.549 -6.355 327 2HA GLY 42 1HA GLY 42 -2.180 -11.634 -5.508 328 H ASP 43 H ASP 43 -3.444 -12.983 -8.487 329 HA ASP 43 HA ASP 43 -1.615 -13.357 -10.234 330 1HB ASP 43 2HB ASP 43 -3.917 -11.470 -10.741 331 2HB ASP 43 1HB ASP 43 -2.912 -12.148 -12.014 332 H ARG 44 H ARG 44 -2.655 -9.922 -10.106 333 HA ARG 44 HA ARG 44 0.074 -9.046 -10.146 334 1HB ARG 44 2HB ARG 44 -0.103 -7.917 -12.386 335 2HB ARG 44 1HB ARG 44 0.034 -9.668 -12.439 336 1HG ARG 44 2HG ARG 44 -2.417 -9.808 -12.755 337 2HG ARG 44 1HG ARG 44 -2.474 -8.046 -12.820 338 1HD ARG 44 2HD ARG 44 -1.035 -8.041 -14.770 339 2HD ARG 44 1HD ARG 44 -0.858 -9.791 -14.674 340 HE ARG 44 HE ARG 44 -3.470 -8.514 -15.171 341 1HH1 ARG 44 1HH1 ARG 44 -0.982 -10.831 -16.006 342 2HH1 ARG 44 2HH1 ARG 44 -1.910 -11.555 -17.283 343 1HH2 ARG 44 1HH2 ARG 44 -4.705 -9.482 -16.826 344 2HH2 ARG 44 2HH2 ARG 44 -4.043 -10.810 -17.727 345 H ILE 45 H ILE 45 0.027 -7.349 -8.897 346 HA ILE 45 HA ILE 45 -2.176 -5.438 -9.226 347 HB ILE 45 HB ILE 45 -1.941 -6.017 -6.928 348 1HG1 ILE 45 2HG1 ILE 45 -0.605 -3.345 -7.413 349 2HG1 ILE 45 1HG1 ILE 45 -2.339 -3.641 -7.354 350 1HG2 ILE 45 1HG2 ILE 45 0.991 -5.383 -7.176 351 2HG2 ILE 45 2HG2 ILE 45 0.277 -6.981 -6.963 352 3HG2 ILE 45 3HG2 ILE 45 0.156 -5.781 -5.676 353 1HD1 ILE 45 1HD1 ILE 45 -0.406 -3.958 -5.067 354 2HD1 ILE 45 2HD1 ILE 45 -2.138 -4.284 -4.999 355 3HD1 ILE 45 3HD1 ILE 45 -1.561 -2.643 -5.289 356 H ARG 46 H ARG 46 -1.730 -4.055 -10.784 357 HA ARG 46 HA ARG 46 1.023 -3.147 -11.142 358 1HB ARG 46 2HB ARG 46 -1.394 -2.737 -12.915 359 2HB ARG 46 1HB ARG 46 0.253 -2.249 -13.297 360 1HG ARG 46 2HG ARG 46 0.862 -4.710 -13.022 361 2HG ARG 46 1HG ARG 46 -0.874 -5.017 -13.080 362 1HD ARG 46 2HD ARG 46 0.728 -3.593 -15.201 363 2HD ARG 46 1HD ARG 46 0.205 -5.273 -15.275 364 HE ARG 46 HE ARG 46 -2.138 -4.048 -14.983 365 1HH1 ARG 46 1HH1 ARG 46 0.576 -3.374 -17.087 366 2HH1 ARG 46 2HH1 ARG 46 -0.393 -2.605 -18.308 367 1HH2 ARG 46 1HH2 ARG 46 -3.433 -3.055 -16.588 368 2HH2 ARG 46 2HH2 ARG 46 -2.673 -2.433 -18.034 369 H LEU 47 H LEU 47 1.488 -1.559 -9.820 370 HA LEU 47 HA LEU 47 -0.449 0.579 -9.333 371 1HB LEU 47 2HB LEU 47 0.869 -0.893 -7.509 372 2HB LEU 47 1HB LEU 47 2.086 0.337 -7.783 373 HG LEU 47 HG LEU 47 -0.735 0.803 -6.813 374 1HD1 LEU 47 1HD1 LEU 47 0.763 -0.189 -5.149 375 2HD1 LEU 47 2HD1 LEU 47 0.335 1.473 -4.740 376 3HD1 LEU 47 3HD1 LEU 47 1.921 1.112 -5.424 377 1HD2 LEU 47 1HD2 LEU 47 1.494 2.780 -7.265 378 2HD2 LEU 47 2HD2 LEU 47 -0.079 3.130 -6.547 379 3HD2 LEU 47 3HD2 LEU 47 0.030 2.638 -8.237 380 H THR 48 H THR 48 -0.158 2.119 -10.776 381 HA THR 48 HA THR 48 2.589 2.761 -11.595 382 HB THR 48 HB THR 48 1.309 3.611 -13.717 383 HG1 THR 48 1HG THR 48 -0.494 1.706 -12.581 384 1HG2 THR 48 1HG2 THR 48 1.562 1.390 -14.754 385 2HG2 THR 48 2HG2 THR 48 1.730 0.672 -13.153 386 3HG2 THR 48 3HG2 THR 48 2.948 1.803 -13.740 387 H MET 49 H MET 49 3.225 4.776 -11.178 388 HA MET 49 HA MET 49 1.147 6.676 -10.314 389 1HB MET 49 2HB MET 49 3.744 5.970 -8.951 390 2HB MET 49 1HB MET 49 2.812 7.407 -8.553 391 1HG MET 49 2HG MET 49 0.983 6.116 -7.791 392 2HG MET 49 1HG MET 49 1.674 4.633 -8.443 393 1HE MET 49 1HE MET 49 3.481 3.215 -7.321 394 2HE MET 49 2HE MET 49 4.534 3.785 -6.027 395 3HE MET 49 3HE MET 49 4.613 4.533 -7.623 396 H LYS 50 H LYS 50 1.356 8.734 -10.953 397 HA LYS 50 HA LYS 50 3.764 9.404 -12.506 398 1HB LYS 50 2HB LYS 50 1.280 9.455 -13.467 399 2HB LYS 50 1HB LYS 50 1.266 11.031 -12.692 400 1HG LYS 50 2HG LYS 50 3.265 10.134 -14.757 401 2HG LYS 50 1HG LYS 50 1.851 11.136 -15.077 402 1HD LYS 50 2HD LYS 50 2.741 12.881 -13.627 403 2HD LYS 50 1HD LYS 50 4.132 11.867 -13.235 404 1HE LYS 50 2HE LYS 50 4.809 11.885 -15.584 405 2HE LYS 50 1HE LYS 50 3.411 12.880 -15.984 406 1HZ LYS 50 1HZ LYS 50 5.443 14.183 -15.776 407 2HZ LYS 50 2HZ LYS 50 5.624 13.689 -14.169 408 3HZ LYS 50 3HZ LYS 50 4.298 14.649 -14.616 409 H LEU 51 H LEU 51 4.928 10.004 -10.659 410 HA LEU 51 HA LEU 51 3.955 12.097 -8.961 411 1HB LEU 51 2HB LEU 51 6.013 11.961 -7.811 412 2HB LEU 51 1HB LEU 51 5.558 10.325 -8.218 413 HG LEU 51 HG LEU 51 7.641 11.946 -9.681 414 1HD1 LEU 51 1HD1 LEU 51 9.245 10.505 -8.544 415 2HD1 LEU 51 2HD1 LEU 51 7.929 9.733 -7.656 416 3HD1 LEU 51 3HD1 LEU 51 8.293 11.437 -7.388 417 1HD2 LEU 51 1HD2 LEU 51 8.244 9.822 -10.710 418 2HD2 LEU 51 2HD2 LEU 51 6.567 10.237 -11.074 419 3HD2 LEU 51 3HD2 LEU 51 6.929 9.020 -9.849 420 H ASP 52 H ASP 52 3.859 14.150 -9.536 421 HA ASP 52 HA ASP 52 5.640 15.041 -11.706 422 1HB ASP 52 2HB ASP 52 3.006 14.902 -11.966 423 2HB ASP 52 1HB ASP 52 3.069 16.447 -11.123 424 H GLY 53 H GLY 53 7.027 15.354 -9.706 425 1HA GLY 53 2HA GLY 53 7.840 17.788 -9.230 426 2HA GLY 53 1HA GLY 53 6.378 17.810 -8.249 427 H ASP 54 H ASP 54 6.419 17.004 -6.280 428 HA ASP 54 HA ASP 54 8.687 15.291 -5.467 429 1HB ASP 54 2HB ASP 54 7.436 17.494 -3.796 430 2HB ASP 54 1HB ASP 54 8.746 16.435 -3.295 431 H ILE 55 H ILE 55 5.576 15.304 -6.095 432 HA ILE 55 HA ILE 55 4.682 13.932 -3.685 433 HB ILE 55 HB ILE 55 2.369 14.410 -4.739 434 1HG1 ILE 55 2HG1 ILE 55 2.355 16.576 -6.051 435 2HG1 ILE 55 1HG1 ILE 55 4.091 16.387 -6.251 436 1HG2 ILE 55 1HG2 ILE 55 4.013 16.675 -3.636 437 2HG2 ILE 55 2HG2 ILE 55 3.159 15.451 -2.697 438 3HG2 ILE 55 3HG2 ILE 55 2.252 16.601 -3.678 439 1HD1 ILE 55 1HD1 ILE 55 2.917 15.660 -8.231 440 2HD1 ILE 55 2HD1 ILE 55 1.964 14.521 -7.281 441 3HD1 ILE 55 3HD1 ILE 55 3.701 14.284 -7.455 442 H VAL 56 H VAL 56 2.534 12.788 -4.660 443 HA VAL 56 HA VAL 56 3.243 11.122 -6.969 444 HB VAL 56 HB VAL 56 1.546 10.206 -4.636 445 1HG1 VAL 56 1HG1 VAL 56 2.729 8.714 -6.972 446 2HG1 VAL 56 2HG1 VAL 56 1.028 9.111 -6.729 447 3HG1 VAL 56 3HG1 VAL 56 1.833 7.981 -5.640 448 1HG2 VAL 56 1HG2 VAL 56 4.434 9.539 -5.199 449 2HG2 VAL 56 2HG2 VAL 56 3.429 8.798 -3.953 450 3HG2 VAL 56 3HG2 VAL 56 3.828 10.512 -3.857 451 H GLU 57 H GLU 57 1.917 11.953 -8.571 452 HA GLU 57 HA GLU 57 -0.467 13.359 -7.739 453 1HB GLU 57 2HB GLU 57 0.954 14.371 -9.446 454 2HB GLU 57 1HB GLU 57 0.705 12.983 -10.498 455 1HG GLU 57 2HG GLU 57 -1.640 13.502 -10.705 456 2HG GLU 57 1HG GLU 57 -1.481 14.819 -9.546 457 H ASP 58 H ASP 58 0.011 11.020 -10.403 458 HA ASP 58 HA ASP 58 -2.693 10.064 -9.740 459 1HB ASP 58 2HB ASP 58 -2.382 11.109 -12.006 460 2HB ASP 58 1HB ASP 58 -1.314 9.768 -12.409 461 H ALA 59 H ALA 59 -2.484 8.389 -8.477 462 HA ALA 59 HA ALA 59 -0.534 6.298 -9.120 463 1HB ALA 59 1HB ALA 59 -0.440 7.135 -6.833 464 2HB ALA 59 2HB ALA 59 -0.997 5.461 -6.850 465 3HB ALA 59 3HB ALA 59 -2.151 6.773 -6.614 466 H LYS 60 H LYS 60 -1.305 4.658 -10.313 467 HA LYS 60 HA LYS 60 -4.210 4.194 -10.210 468 1HB LYS 60 2HB LYS 60 -2.444 3.452 -12.528 469 2HB LYS 60 1HB LYS 60 -4.190 3.652 -12.502 470 1HG LYS 60 2HG LYS 60 -3.590 6.133 -11.901 471 2HG LYS 60 1HG LYS 60 -2.046 5.714 -12.645 472 1HD LYS 60 2HD LYS 60 -3.304 6.578 -14.412 473 2HD LYS 60 1HD LYS 60 -3.464 4.828 -14.598 474 1HE LYS 60 2HE LYS 60 -5.629 5.779 -14.881 475 2HE LYS 60 1HE LYS 60 -5.604 4.974 -13.312 476 1HZ LYS 60 1HZ LYS 60 -6.603 7.001 -12.867 477 2HZ LYS 60 2HZ LYS 60 -5.584 7.861 -13.909 478 3HZ LYS 60 3HZ LYS 60 -4.989 7.298 -12.431 479 H PHE 61 H PHE 61 -4.921 2.178 -9.802 480 HA PHE 61 HA PHE 61 -2.847 0.172 -9.277 481 1HB PHE 61 2HB PHE 61 -4.532 -0.481 -7.352 482 2HB PHE 61 1HB PHE 61 -3.343 0.795 -7.121 483 HD1 PHE 61 1HD PHE 61 -3.995 3.036 -6.757 484 HD2 PHE 61 2HD PHE 61 -6.906 0.120 -7.809 485 HE1 PHE 61 1HE PHE 61 -5.783 4.623 -6.187 486 HE2 PHE 61 2HE PHE 61 -8.702 1.703 -7.243 487 HZ PHE 61 HZ PHE 61 -8.143 3.959 -6.432 488 H GLU 62 H GLU 62 -3.152 -1.205 -10.916 489 HA GLU 62 HA GLU 62 -5.855 -2.306 -11.274 490 1HB GLU 62 2HB GLU 62 -4.702 -1.527 -13.326 491 2HB GLU 62 1HB GLU 62 -3.411 -2.683 -13.015 492 1HG GLU 62 2HG GLU 62 -5.231 -4.467 -13.056 493 2HG GLU 62 1HG GLU 62 -6.260 -3.221 -13.762 494 H GLY 63 H GLY 63 -6.006 -3.740 -9.595 495 1HA GLY 63 2HA GLY 63 -3.830 -5.717 -9.364 496 2HA GLY 63 1HA GLY 63 -4.879 -5.232 -8.040 497 H GLU 64 H GLU 64 -4.218 -7.751 -9.902 498 HA GLU 64 HA GLU 64 -6.997 -8.710 -9.688 499 1HB GLU 64 2HB GLU 64 -4.779 -9.669 -11.518 500 2HB GLU 64 1HB GLU 64 -6.336 -10.466 -11.342 501 1HG GLU 64 2HG GLU 64 -7.448 -8.424 -12.146 502 2HG GLU 64 1HG GLU 64 -5.869 -7.679 -12.382 503 H GLY 65 H GLY 65 -7.331 -10.403 -8.310 504 1HA GLY 65 2HA GLY 65 -5.670 -12.372 -7.474 505 2HA GLY 65 1HA GLY 65 -5.145 -10.988 -6.526 506 H CYS 66 H CYS 66 -5.921 -11.181 -4.520 507 HA CYS 66 HA CYS 66 -8.502 -12.522 -4.183 508 1HB CYS 66 2HB CYS 66 -7.704 -12.695 -1.745 509 2HB CYS 66 1HB CYS 66 -6.893 -13.702 -2.939 510 HG CYS 66 HG CYS 66 -5.469 -10.705 -2.351 511 H SER 67 H SER 67 -9.900 -11.715 -2.469 512 HA SER 67 HA SER 67 -10.739 -9.192 -3.225 513 1HB SER 67 2HB SER 67 -11.512 -10.529 -0.632 514 2HB SER 67 1HB SER 67 -12.493 -9.467 -1.641 515 HG SER 67 HG SER 67 -13.140 -11.538 -2.086 516 H ILE 68 H ILE 68 -8.734 -10.126 -0.493 517 HA ILE 68 HA ILE 68 -9.130 -7.594 0.819 518 HB ILE 68 HB ILE 68 -7.400 -8.500 2.457 519 1HG1 ILE 68 2HG1 ILE 68 -7.416 -11.126 2.298 520 2HG1 ILE 68 1HG1 ILE 68 -7.645 -10.822 0.579 521 1HG2 ILE 68 1HG2 ILE 68 -9.777 -8.527 2.893 522 2HG2 ILE 68 2HG2 ILE 68 -9.038 -10.014 3.487 523 3HG2 ILE 68 3HG2 ILE 68 -9.955 -10.025 1.981 524 1HD1 ILE 68 1HD1 ILE 68 -5.307 -11.166 1.092 525 2HD1 ILE 68 2HD1 ILE 68 -5.351 -9.846 2.262 526 3HD1 ILE 68 3HD1 ILE 68 -5.584 -9.512 0.546 527 H SER 69 H SER 69 -6.622 -9.045 -1.182 528 HA SER 69 HA SER 69 -4.614 -7.166 -0.393 529 1HB SER 69 2HB SER 69 -3.335 -8.125 -2.338 530 2HB SER 69 1HB SER 69 -3.878 -9.320 -1.160 531 HG SER 69 HG SER 69 -5.121 -8.701 -3.643 532 H MET 70 H MET 70 -6.843 -7.482 -3.095 533 HA MET 70 HA MET 70 -5.795 -5.125 -4.393 534 1HB MET 70 2HB MET 70 -7.579 -5.473 -6.035 535 2HB MET 70 1HB MET 70 -6.659 -6.944 -5.763 536 1HG MET 70 2HG MET 70 -8.454 -7.767 -4.298 537 2HG MET 70 1HG MET 70 -9.376 -6.303 -4.638 538 1HE MET 70 1HE MET 70 -11.420 -7.907 -5.381 539 2HE MET 70 2HE MET 70 -10.427 -9.337 -5.094 540 3HE MET 70 3HE MET 70 -11.271 -9.143 -6.631 541 H ALA 71 H ALA 71 -7.869 -5.710 -1.845 542 HA ALA 71 HA ALA 71 -9.442 -3.299 -2.191 543 1HB ALA 71 1HB ALA 71 -10.403 -3.853 -0.009 544 2HB ALA 71 2HB ALA 71 -9.254 -5.180 0.161 545 3HB ALA 71 3HB ALA 71 -10.475 -5.229 -1.111 546 H SER 72 H SER 72 -7.040 -4.499 0.159 547 HA SER 72 HA SER 72 -6.894 -2.094 1.614 548 1HB SER 72 2HB SER 72 -4.904 -4.365 1.417 549 2HB SER 72 1HB SER 72 -4.896 -3.110 2.658 550 HG SER 72 HG SER 72 -6.689 -3.935 3.538 551 H ALA 73 H ALA 73 -4.644 -3.478 -0.773 552 HA ALA 73 HA ALA 73 -2.724 -1.462 -0.623 553 1HB ALA 73 1HB ALA 73 -3.372 -3.206 -2.995 554 2HB ALA 73 2HB ALA 73 -2.303 -3.636 -1.659 555 3HB ALA 73 3HB ALA 73 -1.876 -2.308 -2.738 556 H SER 74 H SER 74 -5.456 -1.817 -2.897 557 HA SER 74 HA SER 74 -4.910 0.508 -4.366 558 1HB SER 74 2HB SER 74 -7.584 -0.829 -3.882 559 2HB SER 74 1HB SER 74 -7.182 0.255 -5.217 560 HG SER 74 HG SER 74 -6.965 -1.842 -5.956 561 H MET 75 H MET 75 -6.655 -0.032 -1.363 562 HA MET 75 HA MET 75 -7.878 2.539 -1.246 563 1HB MET 75 2HB MET 75 -8.697 0.609 0.066 564 2HB MET 75 1HB MET 75 -7.214 0.631 1.011 565 1HG MET 75 2HG MET 75 -7.787 2.897 1.796 566 2HG MET 75 1HG MET 75 -9.305 2.795 0.907 567 1HE MET 75 1HE MET 75 -7.183 1.402 3.893 568 2HE MET 75 2HE MET 75 -7.431 -0.035 2.902 569 3HE MET 75 3HE MET 75 -8.206 0.093 4.482 570 H MET 76 H MET 76 -4.951 1.141 0.223 571 HA MET 76 HA MET 76 -4.154 3.539 1.514 572 1HB MET 76 2HB MET 76 -3.183 0.876 1.283 573 2HB MET 76 1HB MET 76 -1.863 1.971 0.892 574 1HG MET 76 2HG MET 76 -3.532 2.041 3.395 575 2HG MET 76 1HG MET 76 -1.897 1.400 3.258 576 1HE MET 76 1HE MET 76 -1.189 2.978 5.333 577 2HE MET 76 2HE MET 76 -2.845 3.581 5.397 578 3HE MET 76 3HE MET 76 -1.495 4.716 5.364 579 H THR 77 H THR 77 -3.653 2.295 -1.715 580 HA THR 77 HA THR 77 -1.648 4.112 -2.528 581 HB THR 77 HB THR 77 -3.779 2.770 -4.212 582 HG1 THR 77 1HG THR 77 -2.420 1.290 -3.082 583 1HG2 THR 77 1HG2 THR 77 -2.701 4.665 -5.353 584 2HG2 THR 77 2HG2 THR 77 -2.261 3.119 -6.081 585 3HG2 THR 77 3HG2 THR 77 -1.120 3.951 -5.023 586 H GLN 78 H GLN 78 -5.059 4.434 -2.061 587 HA GLN 78 HA GLN 78 -5.405 6.816 -3.619 588 1HB GLN 78 2HB GLN 78 -7.097 5.665 -1.388 589 2HB GLN 78 1HB GLN 78 -7.557 7.033 -2.393 590 1HG GLN 78 2HG GLN 78 -7.529 5.613 -4.362 591 2HG GLN 78 1HG GLN 78 -7.042 4.236 -3.374 592 1HE2 GLN 78 1HE2 GLN 78 -8.857 3.045 -3.887 593 2HE2 GLN 78 2HE2 GLN 78 -10.427 3.433 -3.278 594 H ALA 79 H ALA 79 -4.674 6.004 -0.304 595 HA ALA 79 HA ALA 79 -4.617 8.659 0.684 596 1HB ALA 79 1HB ALA 79 -4.757 6.729 2.179 597 2HB ALA 79 2HB ALA 79 -3.351 7.722 2.557 598 3HB ALA 79 3HB ALA 79 -3.150 6.212 1.669 599 H ILE 80 H ILE 80 -2.342 6.579 -0.978 600 HA ILE 80 HA ILE 80 -0.057 8.269 -0.557 601 HB ILE 80 HB ILE 80 -0.625 5.815 -2.114 602 1HG1 ILE 80 2HG1 ILE 80 0.392 5.736 0.097 603 2HG1 ILE 80 1HG1 ILE 80 1.519 5.132 -1.113 604 1HG2 ILE 80 1HG2 ILE 80 1.404 5.945 -3.450 605 2HG2 ILE 80 2HG2 ILE 80 1.689 7.589 -2.880 606 3HG2 ILE 80 3HG2 ILE 80 0.284 7.235 -3.884 607 1HD1 ILE 80 1HD1 ILE 80 2.652 6.535 0.499 608 2HD1 ILE 80 2HD1 ILE 80 1.556 7.869 0.137 609 3HD1 ILE 80 3HD1 ILE 80 2.676 7.288 -1.096 610 H LYS 81 H LYS 81 -2.593 8.080 -2.903 611 HA LYS 81 HA LYS 81 -1.516 9.588 -4.990 612 1HB LYS 81 2HB LYS 81 -3.664 8.226 -4.936 613 2HB LYS 81 1HB LYS 81 -4.412 9.609 -4.150 614 1HG LYS 81 2HG LYS 81 -3.963 10.993 -6.078 615 2HG LYS 81 1HG LYS 81 -3.109 9.662 -6.862 616 1HD LYS 81 2HD LYS 81 -5.231 8.341 -6.734 617 2HD LYS 81 1HD LYS 81 -6.037 9.806 -6.167 618 1HE LYS 81 2HE LYS 81 -4.567 9.529 -8.785 619 2HE LYS 81 1HE LYS 81 -6.316 9.430 -8.589 620 1HZ LYS 81 1HZ LYS 81 -6.346 11.705 -7.815 621 2HZ LYS 81 2HZ LYS 81 -5.575 11.628 -9.328 622 3HZ LYS 81 3HZ LYS 81 -4.657 11.808 -7.917 623 H GLY 82 H GLY 82 -2.419 10.575 -1.849 624 1HA GLY 82 2HA GLY 82 -2.362 13.402 -2.706 625 2HA GLY 82 1HA GLY 82 -3.345 12.833 -1.367 626 H LYS 83 H LYS 83 -0.075 11.693 -1.955 627 HA LYS 83 HA LYS 83 0.884 13.383 0.246 628 1HB LYS 83 2HB LYS 83 1.368 10.405 0.017 629 2HB LYS 83 1HB LYS 83 2.125 11.468 1.197 630 1HG LYS 83 2HG LYS 83 -0.144 12.030 2.052 631 2HG LYS 83 1HG LYS 83 -0.802 10.810 0.963 632 1HD LYS 83 2HD LYS 83 0.617 9.113 2.086 633 2HD LYS 83 1HD LYS 83 1.143 10.355 3.225 634 1HE LYS 83 2HE LYS 83 -1.676 9.356 2.815 635 2HE LYS 83 1HE LYS 83 -0.640 9.036 4.205 636 1HZ LYS 83 1HZ LYS 83 -0.657 11.416 4.703 637 2HZ LYS 83 2HZ LYS 83 -2.227 10.775 4.705 638 3HZ LYS 83 3HZ LYS 83 -1.688 11.697 3.386 639 H ASP 84 H ASP 84 3.493 12.614 0.400 640 HA ASP 84 HA ASP 84 4.492 13.236 -2.266 641 1HB ASP 84 2HB ASP 84 5.965 14.069 0.214 642 2HB ASP 84 1HB ASP 84 5.993 14.793 -1.387 643 H ILE 85 H ILE 85 6.996 12.931 -1.981 644 HA ILE 85 HA ILE 85 7.407 10.128 -1.361 645 HB ILE 85 HB ILE 85 8.963 12.170 -2.889 646 1HG1 ILE 85 2HG1 ILE 85 9.065 10.373 -4.549 647 2HG1 ILE 85 1HG1 ILE 85 8.323 9.257 -3.410 648 1HG2 ILE 85 1HG2 ILE 85 10.647 11.320 -1.359 649 2HG2 ILE 85 2HG2 ILE 85 10.934 10.710 -2.990 650 3HG2 ILE 85 3HG2 ILE 85 10.210 9.661 -1.771 651 1HD1 ILE 85 1HD1 ILE 85 6.284 10.605 -3.435 652 2HD1 ILE 85 2HD1 ILE 85 6.715 10.020 -5.043 653 3HD1 ILE 85 3HD1 ILE 85 7.030 11.699 -4.600 654 H GLU 86 H GLU 86 8.747 13.263 -0.385 655 HA GLU 86 HA GLU 86 10.576 12.338 1.511 656 1HB GLU 86 2HB GLU 86 9.010 14.926 1.510 657 2HB GLU 86 1HB GLU 86 10.441 14.606 2.481 658 1HG GLU 86 2HG GLU 86 10.321 14.684 -0.525 659 2HG GLU 86 1HG GLU 86 10.981 15.938 0.525 660 H THR 87 H THR 87 7.149 13.119 1.794 661 HA THR 87 HA THR 87 7.031 12.660 4.600 662 HB THR 87 HB THR 87 4.507 12.546 4.122 663 HG1 THR 87 1HG THR 87 4.414 13.837 1.885 664 1HG2 THR 87 1HG2 THR 87 5.641 14.543 4.978 665 2HG2 THR 87 2HG2 THR 87 4.365 14.972 3.839 666 3HG2 THR 87 3HG2 THR 87 6.053 15.016 3.330 667 H ALA 88 H ALA 88 6.524 10.672 1.729 668 HA ALA 88 HA ALA 88 5.387 8.432 2.995 669 1HB ALA 88 1HB ALA 88 7.193 8.472 0.581 670 2HB ALA 88 2HB ALA 88 5.447 8.713 0.558 671 3HB ALA 88 3HB ALA 88 6.115 7.159 1.056 672 H LEU 89 H LEU 89 8.766 9.268 2.315 673 HA LEU 89 HA LEU 89 9.910 6.988 3.525 674 1HB LEU 89 2HB LEU 89 10.927 9.694 2.769 675 2HB LEU 89 1HB LEU 89 11.923 8.667 3.777 676 HG LEU 89 HG LEU 89 12.533 8.515 1.399 677 1HD1 LEU 89 1HD1 LEU 89 11.341 5.986 2.515 678 2HD1 LEU 89 2HD1 LEU 89 12.954 6.616 2.844 679 3HD1 LEU 89 3HD1 LEU 89 12.532 6.081 1.218 680 1HD2 LEU 89 1HD2 LEU 89 10.333 8.904 0.407 681 2HD2 LEU 89 2HD2 LEU 89 9.780 7.345 1.017 682 3HD2 LEU 89 3HD2 LEU 89 11.055 7.413 -0.200 683 H SER 90 H SER 90 8.564 9.862 4.848 684 HA SER 90 HA SER 90 9.798 9.532 7.439 685 1HB SER 90 2HB SER 90 7.565 11.377 6.549 686 2HB SER 90 1HB SER 90 8.422 11.460 8.088 687 HG SER 90 HG SER 90 9.392 12.000 5.485 688 H MET 91 H MET 91 6.797 8.723 5.829 689 HA MET 91 HA MET 91 5.339 7.942 8.137 690 1HB MET 91 2HB MET 91 5.074 7.164 5.230 691 2HB MET 91 1HB MET 91 3.959 6.626 6.476 692 1HG MET 91 2HG MET 91 4.490 9.489 5.714 693 2HG MET 91 1HG MET 91 3.095 8.533 5.219 694 1HE MET 91 1HE MET 91 1.255 7.609 6.951 695 2HE MET 91 2HE MET 91 1.333 7.904 8.689 696 3HE MET 91 3HE MET 91 2.539 6.879 7.912 697 H SER 92 H SER 92 7.771 6.410 6.225 698 HA SER 92 HA SER 92 7.312 3.803 7.369 699 1HB SER 92 2HB SER 92 9.589 3.409 6.121 700 2HB SER 92 1HB SER 92 8.092 3.567 5.201 701 HG SER 92 HG SER 92 8.625 5.645 4.676 702 H LYS 93 H LYS 93 9.505 6.548 7.683 703 HA LYS 93 HA LYS 93 11.109 5.548 9.748 704 1HB LYS 93 2HB LYS 93 11.519 7.759 8.777 705 2HB LYS 93 1HB LYS 93 9.988 8.345 9.420 706 1HG LYS 93 2HG LYS 93 10.864 7.846 11.713 707 2HG LYS 93 1HG LYS 93 12.431 7.523 10.970 708 1HD LYS 93 2HD LYS 93 12.547 9.784 10.138 709 2HD LYS 93 1HD LYS 93 10.917 10.119 10.725 710 1HE LYS 93 2HE LYS 93 13.329 9.459 12.412 711 2HE LYS 93 1HE LYS 93 12.574 11.044 12.243 712 1HZ LYS 93 1HZ LYS 93 11.875 9.984 14.283 713 2HZ LYS 93 2HZ LYS 93 11.320 8.620 13.441 714 3HZ LYS 93 3HZ LYS 93 10.545 10.119 13.236 715 H ILE 94 H ILE 94 7.940 7.148 9.852 716 HA ILE 94 HA ILE 94 7.418 6.853 12.586 717 HB ILE 94 HB ILE 94 5.513 6.846 10.242 718 1HG1 ILE 94 2HG1 ILE 94 6.256 8.957 12.278 719 2HG1 ILE 94 1HG1 ILE 94 6.650 8.964 10.561 720 1HG2 ILE 94 1HG2 ILE 94 3.702 7.209 11.854 721 2HG2 ILE 94 2HG2 ILE 94 4.841 6.964 13.178 722 3HG2 ILE 94 3HG2 ILE 94 4.473 5.638 12.073 723 1HD1 ILE 94 1HD1 ILE 94 4.257 9.131 10.034 724 2HD1 ILE 94 2HD1 ILE 94 4.827 10.482 11.013 725 3HD1 ILE 94 3HD1 ILE 94 3.897 9.183 11.761 726 H PHE 95 H PHE 95 6.874 4.667 9.857 727 HA PHE 95 HA PHE 95 5.529 2.621 11.190 728 1HB PHE 95 2HB PHE 95 5.840 2.728 8.744 729 2HB PHE 95 1HB PHE 95 7.546 2.350 8.951 730 HD1 PHE 95 1HD PHE 95 4.149 1.002 9.630 731 HD2 PHE 95 2HD PHE 95 8.261 0.148 8.933 732 HE1 PHE 95 1HE PHE 95 3.626 -1.398 9.512 733 HE2 PHE 95 2HE PHE 95 7.744 -2.256 8.816 734 HZ PHE 95 HZ PHE 95 5.425 -3.031 9.104 735 H SER 96 H SER 96 9.049 3.054 10.764 736 HA SER 96 HA SER 96 9.718 0.746 12.275 737 1HB SER 96 2HB SER 96 12.037 1.909 12.327 738 2HB SER 96 1HB SER 96 11.383 1.391 10.777 739 HG SER 96 HG SER 96 10.829 3.995 11.668 740 H ASP 97 H ASP 97 9.296 4.149 13.141 741 HA ASP 97 HA ASP 97 10.355 3.853 15.785 742 1HB ASP 97 2HB ASP 97 8.706 5.985 14.446 743 2HB ASP 97 1HB ASP 97 9.059 6.053 16.167 744 H MET 98 H MET 98 7.238 3.408 14.318 745 HA MET 98 HA MET 98 5.697 3.334 16.699 746 1HB MET 98 2HB MET 98 4.575 3.664 14.617 747 2HB MET 98 1HB MET 98 5.273 2.204 13.932 748 1HG MET 98 2HG MET 98 3.969 0.877 15.575 749 2HG MET 98 1HG MET 98 3.195 2.373 16.101 750 1HE MET 98 1HE MET 98 0.444 0.421 13.999 751 2HE MET 98 2HE MET 98 0.864 1.050 15.593 752 3HE MET 98 3HE MET 98 1.734 -0.334 14.935 753 H MET 99 H MET 99 7.168 0.799 14.715 754 HA MET 99 HA MET 99 6.103 -1.279 16.413 755 1HB MET 99 2HB MET 99 7.072 -2.834 14.828 756 2HB MET 99 1HB MET 99 6.225 -1.561 13.962 757 1HG MET 99 2HG MET 99 8.324 -0.462 13.460 758 2HG MET 99 1HG MET 99 9.202 -1.672 14.391 759 1HE MET 99 1HE MET 99 10.233 -2.485 10.699 760 2HE MET 99 2HE MET 99 10.818 -2.146 12.328 761 3HE MET 99 3HE MET 99 9.965 -0.898 11.419 762 H GLN 100 H GLN 100 8.758 0.691 16.627 763 HA GLN 100 HA GLN 100 10.183 -1.297 18.264 764 1HB GLN 100 2HB GLN 100 11.537 0.718 16.462 765 2HB GLN 100 1HB GLN 100 12.332 -0.470 17.481 766 1HG GLN 100 2HG GLN 100 11.406 -2.267 16.116 767 2HG GLN 100 1HG GLN 100 10.590 -1.078 15.102 768 1HE2 GLN 100 1HE2 GLN 100 12.898 0.772 15.334 769 2HE2 GLN 100 2HE2 GLN 100 14.100 0.128 14.267 770 H GLY 101 H GLY 101 8.370 1.217 18.538 771 1HA GLY 101 2HA GLY 101 9.905 2.351 20.732 772 2HA GLY 101 1HA GLY 101 9.547 3.451 19.415 773 H LYS 102 H LYS 102 7.165 3.666 18.853 774 HA LYS 102 HA LYS 102 5.474 3.458 21.207 775 1HB LYS 102 2HB LYS 102 7.058 5.394 21.603 776 2HB LYS 102 1HB LYS 102 6.293 6.198 20.241 777 1HG LYS 102 2HG LYS 102 4.149 6.149 21.420 778 2HG LYS 102 1HG LYS 102 4.927 5.351 22.789 779 1HD LYS 102 2HD LYS 102 6.450 7.307 22.986 780 2HD LYS 102 1HD LYS 102 5.523 8.105 21.715 781 1HE LYS 102 2HE LYS 102 4.814 8.864 23.915 782 2HE LYS 102 1HE LYS 102 3.517 7.990 23.102 783 1HZ LYS 102 1HZ LYS 102 3.849 7.430 25.498 784 2HZ LYS 102 2HZ LYS 102 5.334 6.722 25.075 785 3HZ LYS 102 3HZ LYS 102 3.888 6.099 24.450 786 H GLU 103 H GLU 103 3.337 4.170 20.885 787 HA GLU 103 HA GLU 103 2.365 3.876 18.201 788 1HB GLU 103 2HB GLU 103 1.025 4.408 20.852 789 2HB GLU 103 1HB GLU 103 0.136 4.268 19.342 790 1HG GLU 103 2HG GLU 103 1.969 2.097 20.278 791 2HG GLU 103 1HG GLU 103 0.303 2.212 20.846 792 H TYR 104 H TYR 104 2.436 5.547 16.810 793 HA TYR 104 HA TYR 104 0.847 7.803 17.242 794 1HB TYR 104 2HB TYR 104 2.398 9.580 17.289 795 2HB TYR 104 1HB TYR 104 2.890 8.480 18.555 796 HD1 TYR 104 1HD TYR 104 4.863 6.900 18.049 797 HD2 TYR 104 2HD TYR 104 3.871 10.252 15.627 798 HE1 TYR 104 1HE TYR 104 7.129 6.876 17.090 799 HE2 TYR 104 2HE TYR 104 6.129 10.238 14.664 800 HH TYR 104 HH TYR 104 8.254 7.648 15.008 801 H ASP 105 H ASP 105 0.351 8.737 15.374 802 HA ASP 105 HA ASP 105 1.988 8.273 13.028 803 1HB ASP 105 2HB ASP 105 0.191 6.628 12.857 804 2HB ASP 105 1HB ASP 105 -1.013 7.879 13.145 805 H ASP 106 H ASP 106 2.330 10.072 12.007 806 HA ASP 106 HA ASP 106 1.378 12.578 12.865 807 1HB ASP 106 2HB ASP 106 3.525 12.238 11.667 808 2HB ASP 106 1HB ASP 106 2.627 11.860 10.200 809 H SER 107 H SER 107 0.146 10.221 10.676 810 HA SER 107 HA SER 107 -1.744 12.114 9.484 811 1HB SER 107 2HB SER 107 -1.334 9.200 8.792 812 2HB SER 107 1HB SER 107 -2.176 10.420 7.836 813 HG SER 107 HG SER 107 0.557 9.986 8.179 814 H ILE 108 H ILE 108 -1.610 9.695 11.936 815 HA ILE 108 HA ILE 108 -3.164 8.648 13.231 816 HB ILE 108 HB ILE 108 -5.116 10.769 12.286 817 1HG1 ILE 108 2HG1 ILE 108 -2.998 11.766 13.121 818 2HG1 ILE 108 1HG1 ILE 108 -4.373 12.136 14.156 819 1HG2 ILE 108 1HG2 ILE 108 -6.192 8.979 13.517 820 2HG2 ILE 108 2HG2 ILE 108 -6.140 10.433 14.514 821 3HG2 ILE 108 3HG2 ILE 108 -5.004 9.118 14.813 822 1HD1 ILE 108 1HD1 ILE 108 -3.664 10.405 15.718 823 2HD1 ILE 108 2HD1 ILE 108 -2.394 11.602 15.458 824 3HD1 ILE 108 3HD1 ILE 108 -2.293 10.024 14.676 825 H ASP 109 H ASP 109 -2.791 7.741 10.515 826 HA ASP 109 HA ASP 109 -5.324 6.301 10.222 827 1HB ASP 109 2HB ASP 109 -5.416 8.203 8.629 828 2HB ASP 109 1HB ASP 109 -3.938 7.614 7.872 829 H LEU 110 H LEU 110 -4.119 4.581 11.164 830 HA LEU 110 HA LEU 110 -2.170 3.347 9.325 831 1HB LEU 110 2HB LEU 110 -2.241 3.205 12.343 832 2HB LEU 110 1HB LEU 110 -1.131 2.314 11.322 833 HG LEU 110 HG LEU 110 -1.246 5.317 11.594 834 1HD1 LEU 110 1HD1 LEU 110 0.761 3.305 12.600 835 2HD1 LEU 110 2HD1 LEU 110 -0.381 4.218 13.585 836 3HD1 LEU 110 3HD1 LEU 110 0.906 5.059 12.722 837 1HD2 LEU 110 1HD2 LEU 110 0.832 5.282 10.281 838 2HD2 LEU 110 2HD2 LEU 110 -0.545 4.671 9.366 839 3HD2 LEU 110 3HD2 LEU 110 0.636 3.546 10.037 840 H GLY 111 H GLY 111 -5.187 3.063 9.792 841 1HA GLY 111 2HA GLY 111 -5.682 0.619 11.118 842 2HA GLY 111 1HA GLY 111 -6.773 1.413 9.997 843 H ASP 112 H ASP 112 -4.563 1.261 7.911 844 HA ASP 112 HA ASP 112 -5.530 -1.204 6.784 845 1HB ASP 112 2HB ASP 112 -5.282 0.803 5.395 846 2HB ASP 112 1HB ASP 112 -3.546 0.804 5.692 847 H ILE 113 H ILE 113 -2.624 -0.126 8.358 848 HA ILE 113 HA ILE 113 -0.824 -1.982 7.250 849 HB ILE 113 HB ILE 113 -0.672 -0.695 9.979 850 1HG1 ILE 113 2HG1 ILE 113 0.388 0.207 7.291 851 2HG1 ILE 113 1HG1 ILE 113 -0.896 0.980 8.214 852 1HG2 ILE 113 1HG2 ILE 113 0.846 -2.576 9.769 853 2HG2 ILE 113 2HG2 ILE 113 1.753 -1.063 9.741 854 3HG2 ILE 113 3HG2 ILE 113 1.456 -1.942 8.241 855 1HD1 ILE 113 1HD1 ILE 113 1.184 2.201 8.421 856 2HD1 ILE 113 2HD1 ILE 113 1.989 0.759 9.038 857 3HD1 ILE 113 3HD1 ILE 113 0.705 1.522 9.977 858 H GLU 114 H GLU 114 -3.012 -2.189 10.009 859 HA GLU 114 HA GLU 114 -2.083 -4.618 11.087 860 1HB GLU 114 2HB GLU 114 -3.680 -3.197 12.275 861 2HB GLU 114 1HB GLU 114 -4.890 -3.482 11.033 862 1HG GLU 114 2HG GLU 114 -5.472 -4.841 12.862 863 2HG GLU 114 1HG GLU 114 -4.797 -5.917 11.642 864 H ALA 115 H ALA 115 -4.196 -3.885 8.390 865 HA ALA 115 HA ALA 115 -5.112 -6.544 7.953 866 1HB ALA 115 1HB ALA 115 -6.310 -4.563 7.120 867 2HB ALA 115 2HB ALA 115 -5.939 -5.705 5.830 868 3HB ALA 115 3HB ALA 115 -4.979 -4.239 6.012 869 H LEU 116 H LEU 116 -2.193 -4.888 7.275 870 HA LEU 116 HA LEU 116 -1.418 -6.713 5.132 871 1HB LEU 116 2HB LEU 116 0.134 -4.475 6.441 872 2HB LEU 116 1HB LEU 116 0.637 -5.377 5.023 873 HG LEU 116 HG LEU 116 -1.764 -3.555 5.193 874 1HD1 LEU 116 1HD1 LEU 116 -0.487 -2.144 3.648 875 2HD1 LEU 116 2HD1 LEU 116 0.893 -3.227 3.817 876 3HD1 LEU 116 3HD1 LEU 116 0.310 -2.318 5.212 877 1HD2 LEU 116 1HD2 LEU 116 -2.126 -5.437 3.670 878 2HD2 LEU 116 2HD2 LEU 116 -0.620 -5.049 2.836 879 3HD2 LEU 116 3HD2 LEU 116 -1.969 -3.913 2.797 880 H GLN 117 H GLN 117 -0.752 -5.987 8.469 881 HA GLN 117 HA GLN 117 1.434 -7.680 8.911 882 1HB GLN 117 2HB GLN 117 -0.778 -6.708 10.708 883 2HB GLN 117 1HB GLN 117 0.576 -7.663 11.298 884 1HG GLN 117 2HG GLN 117 2.100 -5.969 10.936 885 2HG GLN 117 1HG GLN 117 1.077 -5.161 9.748 886 1HE2 GLN 117 1HE2 GLN 117 -0.343 -6.301 12.660 887 2HE2 GLN 117 2HE2 GLN 117 -0.535 -4.764 13.426 888 H GLY 118 H GLY 118 -1.989 -8.312 8.693 889 1HA GLY 118 2HA GLY 118 -2.038 -10.854 9.902 890 2HA GLY 118 1HA GLY 118 -3.211 -10.251 8.743 891 H VAL 119 H VAL 119 -1.497 -9.892 6.536 892 HA VAL 119 HA VAL 119 -1.275 -12.661 5.711 893 HB VAL 119 HB VAL 119 -0.878 -11.773 3.455 894 1HG1 VAL 119 1HG1 VAL 119 -3.062 -10.716 3.121 895 2HG1 VAL 119 2HG1 VAL 119 -3.207 -10.473 4.862 896 3HG1 VAL 119 3HG1 VAL 119 -3.169 -12.108 4.200 897 1HG2 VAL 119 1HG2 VAL 119 0.368 -9.762 4.018 898 2HG2 VAL 119 2HG2 VAL 119 -1.071 -9.061 4.757 899 3HG2 VAL 119 3HG2 VAL 119 -1.030 -9.365 3.021 900 H SER 120 H SER 120 0.764 -10.225 6.859 901 HA SER 120 HA SER 120 3.080 -10.437 5.394 902 1HB SER 120 2HB SER 120 2.619 -8.670 7.021 903 2HB SER 120 1HB SER 120 2.814 -9.822 8.340 904 HG SER 120 HG SER 120 4.977 -10.017 6.859 905 H LYS 121 H LYS 121 1.905 -13.095 7.194 906 HA LYS 121 HA LYS 121 4.641 -13.895 7.888 907 1HB LYS 121 2HB LYS 121 2.330 -13.794 9.817 908 2HB LYS 121 1HB LYS 121 3.791 -14.727 10.114 909 1HG LYS 121 2HG LYS 121 5.078 -12.579 9.810 910 2HG LYS 121 1HG LYS 121 3.522 -11.748 9.855 911 1HD LYS 121 2HD LYS 121 3.090 -12.539 12.073 912 2HD LYS 121 1HD LYS 121 4.500 -13.600 12.023 913 1HE LYS 121 2HE LYS 121 5.908 -11.532 11.741 914 2HE LYS 121 1HE LYS 121 4.458 -10.589 12.081 915 1HZ LYS 121 1HZ LYS 121 5.487 -12.669 13.922 916 2HZ LYS 121 2HZ LYS 121 4.336 -11.467 14.253 917 3HZ LYS 121 3HZ LYS 121 5.961 -11.048 14.023 918 H PHE 122 H PHE 122 1.417 -14.820 7.024 919 HA PHE 122 HA PHE 122 1.776 -17.616 7.434 920 1HB PHE 122 2HB PHE 122 -0.150 -16.077 5.685 921 2HB PHE 122 1HB PHE 122 -0.177 -17.829 5.853 922 HD1 PHE 122 1HD PHE 122 -1.466 -14.811 7.062 923 HD2 PHE 122 2HD PHE 122 -0.292 -18.698 8.317 924 HE1 PHE 122 1HE PHE 122 -2.881 -14.588 9.058 925 HE2 PHE 122 2HE PHE 122 -1.705 -18.488 10.312 926 HZ PHE 122 HZ PHE 122 -3.006 -16.428 10.688 927 HA PRO 123 HA PRO 123 4.552 -18.554 4.117 928 1HB PRO 123 2HB PRO 123 3.000 -21.088 3.990 929 2HB PRO 123 1HB PRO 123 4.742 -20.844 4.159 930 1HG PRO 123 2HG PRO 123 3.261 -21.607 6.240 931 2HG PRO 123 1HG PRO 123 4.601 -20.462 6.439 932 1HD PRO 123 2HD PRO 123 1.661 -19.951 6.399 933 2HD PRO 123 1HD PRO 123 2.932 -19.169 7.361 934 H ALA 124 H ALA 124 1.094 -18.892 3.886 935 HA ALA 124 HA ALA 124 1.200 -18.914 0.971 936 1HB ALA 124 1HB ALA 124 -0.286 -20.503 2.089 937 2HB ALA 124 2HB ALA 124 -1.174 -19.384 1.055 938 3HB ALA 124 3HB ALA 124 -1.177 -19.158 2.804 939 H ARG 125 H ARG 125 1.190 -16.512 3.338 940 HA ARG 125 HA ARG 125 -0.299 -14.752 1.507 941 1HB ARG 125 2HB ARG 125 -0.217 -14.670 4.524 942 2HB ARG 125 1HB ARG 125 -0.896 -13.399 3.519 943 1HG ARG 125 2HG ARG 125 -2.527 -15.002 2.628 944 2HG ARG 125 1HG ARG 125 -1.875 -16.239 3.705 945 1HD ARG 125 2HD ARG 125 -2.458 -14.856 5.638 946 2HD ARG 125 1HD ARG 125 -3.103 -13.618 4.559 947 HE ARG 125 HE ARG 125 -4.368 -16.081 4.026 948 1HH1 ARG 125 1HH1 ARG 125 -4.269 -13.569 6.470 949 2HH1 ARG 125 2HH1 ARG 125 -5.881 -13.880 7.040 950 1HH2 ARG 125 1HH2 ARG 125 -6.466 -16.490 4.762 951 2HH2 ARG 125 2HH2 ARG 125 -7.135 -15.554 6.063 952 H ILE 126 H ILE 126 2.656 -15.551 2.500 953 HA ILE 126 HA ILE 126 3.739 -13.029 3.303 954 HB ILE 126 HB ILE 126 4.817 -15.088 4.035 955 1HG1 ILE 126 2HG1 ILE 126 6.598 -13.535 2.143 956 2HG1 ILE 126 1HG1 ILE 126 6.197 -13.058 3.788 957 1HG2 ILE 126 1HG2 ILE 126 6.049 -16.527 2.482 958 2HG2 ILE 126 2HG2 ILE 126 5.443 -15.575 1.127 959 3HG2 ILE 126 3HG2 ILE 126 4.322 -16.503 2.123 960 1HD1 ILE 126 1HD1 ILE 126 7.330 -15.031 4.647 961 2HD1 ILE 126 2HD1 ILE 126 8.411 -14.054 3.653 962 3HD1 ILE 126 3HD1 ILE 126 7.712 -15.535 3.001 963 H LYS 127 H LYS 127 3.340 -14.762 0.316 964 HA LYS 127 HA LYS 127 4.841 -12.835 -1.241 965 1HB LYS 127 2HB LYS 127 3.289 -15.301 -1.824 966 2HB LYS 127 1HB LYS 127 3.372 -14.106 -3.110 967 1HG LYS 127 2HG LYS 127 5.107 -15.758 -3.384 968 2HG LYS 127 1HG LYS 127 5.817 -14.185 -3.021 969 1HD LYS 127 2HD LYS 127 6.146 -14.854 -0.701 970 2HD LYS 127 1HD LYS 127 5.383 -16.412 -1.032 971 1HE LYS 127 2HE LYS 127 7.151 -16.962 -2.609 972 2HE LYS 127 1HE LYS 127 7.896 -15.387 -2.347 973 1HZ LYS 127 1HZ LYS 127 7.533 -17.461 -0.252 974 2HZ LYS 127 2HZ LYS 127 8.342 -15.980 -0.075 975 3HZ LYS 127 3HZ LYS 127 8.976 -17.175 -1.094 976 H CYS 128 H CYS 128 1.737 -13.167 0.061 977 HA CYS 128 HA CYS 128 0.462 -11.300 -1.746 978 1HB CYS 128 2HB CYS 128 -0.641 -13.306 -0.529 979 2HB CYS 128 1HB CYS 128 -0.674 -12.246 0.876 980 HG CYS 128 HG CYS 128 -2.332 -10.355 -0.217 981 H ALA 129 H ALA 129 2.234 -11.324 1.181 982 HA ALA 129 HA ALA 129 1.477 -8.727 2.109 983 1HB ALA 129 1HB ALA 129 2.449 -10.392 3.625 984 2HB ALA 129 2HB ALA 129 3.417 -8.917 3.583 985 3HB ALA 129 3HB ALA 129 3.954 -10.351 2.704 986 H THR 130 H THR 130 4.256 -10.046 0.320 987 HA THR 130 HA THR 130 5.535 -7.639 -0.273 988 HB THR 130 HB THR 130 5.345 -10.027 -2.126 989 HG1 THR 130 1HG THR 130 7.358 -10.598 -0.906 990 1HG2 THR 130 1HG2 THR 130 7.521 -7.974 -1.710 991 2HG2 THR 130 2HG2 THR 130 6.425 -8.042 -3.089 992 3HG2 THR 130 3HG2 THR 130 7.591 -9.338 -2.822 993 H LEU 131 H LEU 131 2.876 -9.308 -1.844 994 HA LEU 131 HA LEU 131 2.407 -7.744 -4.065 995 1HB LEU 131 2HB LEU 131 1.215 -9.841 -3.409 996 2HB LEU 131 1HB LEU 131 0.340 -8.930 -2.202 997 HG LEU 131 HG LEU 131 0.126 -8.318 -5.152 998 1HD1 LEU 131 1HD1 LEU 131 -1.943 -9.631 -5.112 999 2HD1 LEU 131 2HD1 LEU 131 -1.594 -10.125 -3.455 1000 3HD1 LEU 131 3HD1 LEU 131 -0.533 -10.633 -4.769 1001 1HD2 LEU 131 1HD2 LEU 131 -1.972 -7.261 -4.517 1002 2HD2 LEU 131 2HD2 LEU 131 -0.639 -6.553 -3.604 1003 3HD2 LEU 131 3HD2 LEU 131 -1.715 -7.718 -2.832 1004 H SER 132 H SER 132 0.629 -7.357 -0.995 1005 HA SER 132 HA SER 132 -0.425 -4.853 -1.865 1006 1HB SER 132 2HB SER 132 -0.553 -5.848 0.965 1007 2HB SER 132 1HB SER 132 -1.768 -4.962 0.044 1008 HG SER 132 HG SER 132 -1.156 -7.686 0.046 1009 H TRP 133 H TRP 133 1.700 -5.793 0.814 1010 HA TRP 133 HA TRP 133 1.975 -3.156 1.793 1011 1HB TRP 133 2HB TRP 133 2.223 -4.977 3.324 1012 2HB TRP 133 1HB TRP 133 3.491 -5.710 2.349 1013 HD1 TRP 133 HD TRP 133 2.935 -2.549 4.534 1014 HE1 TRP 133 1HE TRP 133 5.205 -1.886 5.552 1015 HE3 TRP 133 3HE TRP 133 5.913 -6.000 2.215 1016 HZ2 TRP 133 2HZ TRP 133 7.902 -2.713 5.394 1017 HZ3 TRP 133 3HZ TRP 133 8.325 -5.999 2.703 1018 HH2 TRP 133 HH TRP 133 9.298 -4.388 4.260 1019 H LYS 134 H LYS 134 4.150 -5.231 -0.164 1020 HA LYS 134 HA LYS 134 6.164 -3.169 0.035 1021 1HB LYS 134 2HB LYS 134 6.606 -5.700 0.099 1022 2HB LYS 134 1HB LYS 134 6.468 -5.627 -1.655 1023 1HG LYS 134 2HG LYS 134 8.312 -4.150 -1.829 1024 2HG LYS 134 1HG LYS 134 8.338 -3.873 -0.088 1025 1HD LYS 134 2HD LYS 134 8.868 -6.312 0.188 1026 2HD LYS 134 1HD LYS 134 9.070 -6.395 -1.563 1027 1HE LYS 134 2HE LYS 134 11.227 -6.093 -0.549 1028 2HE LYS 134 1HE LYS 134 10.787 -4.616 -1.404 1029 1HZ LYS 134 1HZ LYS 134 11.740 -4.122 0.756 1030 2HZ LYS 134 2HZ LYS 134 10.559 -5.055 1.528 1031 3HZ LYS 134 3HZ LYS 134 10.115 -3.632 0.712 1032 H ALA 135 H ALA 135 3.760 -4.101 -2.327 1033 HA ALA 135 HA ALA 135 4.961 -2.704 -4.502 1034 1HB ALA 135 1HB ALA 135 2.727 -2.619 -5.481 1035 2HB ALA 135 2HB ALA 135 2.026 -3.142 -3.950 1036 3HB ALA 135 3HB ALA 135 3.081 -4.228 -4.856 1037 H LEU 136 H LEU 136 3.188 -1.778 -1.694 1038 HA LEU 136 HA LEU 136 2.799 0.964 -2.578 1039 1HB LEU 136 2HB LEU 136 1.131 -0.284 -1.167 1040 2HB LEU 136 1HB LEU 136 2.304 -0.262 0.136 1041 HG LEU 136 HG LEU 136 2.253 2.273 -0.041 1042 1HD1 LEU 136 1HD1 LEU 136 -0.231 1.661 -1.640 1043 2HD1 LEU 136 2HD1 LEU 136 1.238 2.417 -2.254 1044 3HD1 LEU 136 3HD1 LEU 136 0.257 3.250 -1.050 1045 1HD2 LEU 136 1HD2 LEU 136 0.208 2.432 1.293 1046 2HD2 LEU 136 2HD2 LEU 136 1.191 1.047 1.771 1047 3HD2 LEU 136 3HD2 LEU 136 -0.251 0.806 0.782 1048 H GLU 137 H GLU 137 4.680 -0.918 -0.314 1049 HA GLU 137 HA GLU 137 6.052 1.176 0.960 1050 1HB GLU 137 2HB GLU 137 5.892 -1.097 1.873 1051 2HB GLU 137 1HB GLU 137 6.833 -1.719 0.530 1052 1HG GLU 137 2HG GLU 137 8.011 0.366 2.305 1053 2HG GLU 137 1HG GLU 137 7.934 -1.307 2.852 1054 H LYS 138 H LYS 138 6.806 -0.821 -1.862 1055 HA LYS 138 HA LYS 138 9.387 0.562 -2.105 1056 1HB LYS 138 2HB LYS 138 8.926 -2.012 -2.358 1057 2HB LYS 138 1HB LYS 138 8.482 -1.571 -3.997 1058 1HG LYS 138 2HG LYS 138 10.722 -2.215 -4.130 1059 2HG LYS 138 1HG LYS 138 10.766 -0.453 -4.147 1060 1HD LYS 138 2HD LYS 138 11.056 -1.992 -1.585 1061 2HD LYS 138 1HD LYS 138 12.440 -1.717 -2.641 1062 1HE LYS 138 2HE LYS 138 12.298 0.628 -2.374 1063 2HE LYS 138 1HE LYS 138 10.694 0.522 -1.647 1064 1HZ LYS 138 1HZ LYS 138 11.596 -0.431 0.307 1065 2HZ LYS 138 2HZ LYS 138 12.545 0.921 -0.048 1066 3HZ LYS 138 3HZ LYS 138 13.129 -0.629 -0.398 1067 H GLY 139 H GLY 139 6.267 0.862 -3.279 1068 1HA GLY 139 2HA GLY 139 6.606 1.487 -5.978 1069 2HA GLY 139 1HA GLY 139 5.306 2.085 -4.961 1070 H VAL 140 H VAL 140 6.418 3.760 -3.241 1071 HA VAL 140 HA VAL 140 7.809 5.744 -4.920 1072 HB VAL 140 HB VAL 140 6.815 7.472 -3.407 1073 1HG1 VAL 140 1HG1 VAL 140 4.580 7.397 -4.413 1074 2HG1 VAL 140 2HG1 VAL 140 4.855 5.721 -4.885 1075 3HG1 VAL 140 3HG1 VAL 140 5.839 7.006 -5.585 1076 1HG2 VAL 140 1HG2 VAL 140 4.878 6.854 -2.030 1077 2HG2 VAL 140 2HG2 VAL 140 6.351 6.059 -1.474 1078 3HG2 VAL 140 3HG2 VAL 140 5.158 5.154 -2.406 1079 H ALA 141 H ALA 141 8.764 3.560 -3.169 1080 HA ALA 141 HA ALA 141 10.437 3.106 -1.727 1081 1HB ALA 141 1HB ALA 141 11.668 4.871 -2.928 1082 2HB ALA 141 2HB ALA 141 12.111 4.771 -1.224 1083 3HB ALA 141 3HB ALA 141 11.044 6.058 -1.783 1084 H LYS 142 H LYS 142 10.967 3.131 0.457 1085 HA LYS 142 HA LYS 142 10.018 4.941 2.376 1086 1HB LYS 142 2HB LYS 142 8.238 2.678 1.730 1087 2HB LYS 142 1HB LYS 142 8.632 2.825 3.439 1088 1HG LYS 142 2HG LYS 142 7.802 5.072 3.500 1089 2HG LYS 142 1HG LYS 142 7.566 5.077 1.754 1090 1HD LYS 142 2HD LYS 142 6.128 3.266 3.686 1091 2HD LYS 142 1HD LYS 142 5.471 4.766 3.025 1092 1HE LYS 142 2HE LYS 142 6.214 2.263 1.531 1093 2HE LYS 142 1HE LYS 142 4.608 2.961 1.734 1094 1HZ LYS 142 1HZ LYS 142 5.514 3.417 -0.458 1095 2HZ LYS 142 2HZ LYS 142 6.852 4.205 0.228 1096 3HZ LYS 142 3HZ LYS 142 5.299 4.855 0.409 1097 H GLU 143 H GLU 143 10.780 4.315 4.536 1098 HA GLU 143 HA GLU 143 12.457 3.535 5.876 1099 1HB GLU 143 2HB GLU 143 11.514 1.317 5.641 1100 2HB GLU 143 1HB GLU 143 12.276 1.111 4.072 1101 1HG GLU 143 2HG GLU 143 14.492 1.253 5.217 1102 2HG GLU 143 1HG GLU 143 13.627 1.241 6.753 1103 H GLU 144 H GLU 144 14.372 4.519 5.810 1104 HA GLU 144 HA GLU 144 15.743 4.864 3.296 1105 1HB GLU 144 2HB GLU 144 15.585 6.476 5.390 1106 2HB GLU 144 1HB GLU 144 16.991 5.569 5.925 1107 1HG GLU 144 2HG GLU 144 16.746 7.131 3.363 1108 2HG GLU 144 1HG GLU 144 17.657 7.602 4.796 1109 H GLY 145 H GLY 145 17.473 4.107 6.250 1110 1HA GLY 145 2HA GLY 145 19.036 2.511 6.760 1111 2HA GLY 145 1HA GLY 145 17.944 1.398 5.956 1112 H GLY 146 H GLY 146 19.607 4.066 4.353 1113 1HA GLY 146 2HA GLY 146 21.325 4.066 2.814 1114 2HA GLY 146 1HA GLY 146 21.723 2.428 3.317 1115 H ASN 147 H ASN 147 18.756 3.802 1.975 1116 HA ASN 147 HA ASN 147 17.464 3.286 0.193 1117 1HB ASN 147 2HB ASN 147 19.382 3.989 -1.129 1118 2HB ASN 147 1HB ASN 147 20.079 2.378 -1.018 1119 1HD2 ASN 147 1HD2 ASN 147 17.474 4.283 -2.371 1120 2HD2 ASN 147 2HD2 ASN 147 17.090 3.177 -3.655 Start of MODEL 4 1 1H MET 1 1HT MET 1 -17.080 1.844 17.551 2 2H MET 1 2HT MET 1 -16.169 1.448 16.171 3 3H MET 1 3HT MET 1 -15.672 2.714 17.181 4 HA MET 1 HA MET 1 -14.340 0.733 17.499 5 1HB MET 1 2HB MET 1 -16.062 1.746 19.740 6 2HB MET 1 1HB MET 1 -14.844 0.512 20.029 7 1HG MET 1 2HG MET 1 -13.982 2.716 20.542 8 2HG MET 1 1HG MET 1 -13.115 2.002 19.184 9 1HE MET 1 1HE MET 1 -12.076 4.246 18.368 10 2HE MET 1 2HE MET 1 -12.777 5.025 19.788 11 3HE MET 1 3HE MET 1 -12.987 5.746 18.192 12 H SER 2 H SER 2 -14.469 -1.258 16.851 13 HA SER 2 HA SER 2 -16.309 -3.087 18.136 14 1HB SER 2 2HB SER 2 -16.959 -4.043 15.862 15 2HB SER 2 1HB SER 2 -17.689 -2.497 16.284 16 HG SER 2 HG SER 2 -15.926 -3.135 14.277 17 H PHE 3 H PHE 3 -13.570 -2.734 18.391 18 HA PHE 3 HA PHE 3 -11.990 -4.373 16.737 19 1HB PHE 3 2HB PHE 3 -10.334 -4.279 18.612 20 2HB PHE 3 1HB PHE 3 -10.935 -2.706 18.106 21 HD1 PHE 3 1HD PHE 3 -12.338 -1.383 19.557 22 HD2 PHE 3 2HD PHE 3 -10.904 -5.199 20.779 23 HE1 PHE 3 1HE PHE 3 -12.948 -0.863 21.882 24 HE2 PHE 3 2HE PHE 3 -11.518 -4.688 23.106 25 HZ PHE 3 HZ PHE 3 -12.540 -2.516 23.660 26 H ASN 4 H ASN 4 -14.391 -5.276 18.846 27 HA ASN 4 HA ASN 4 -13.422 -7.726 19.851 28 1HB ASN 4 2HB ASN 4 -16.256 -6.995 19.065 29 2HB ASN 4 1HB ASN 4 -15.784 -8.335 20.106 30 1HD2 ASN 4 1HD2 ASN 4 -15.066 -7.913 22.190 31 2HD2 ASN 4 2HD2 ASN 4 -15.343 -6.386 22.961 32 H ALA 5 H ALA 5 -14.732 -6.718 16.783 33 HA ALA 5 HA ALA 5 -14.334 -9.395 15.656 34 1HB ALA 5 1HB ALA 5 -15.386 -8.494 13.639 35 2HB ALA 5 2HB ALA 5 -15.464 -6.897 14.381 36 3HB ALA 5 3HB ALA 5 -16.410 -8.226 15.048 37 H ASN 6 H ASN 6 -12.363 -9.835 14.968 38 HA ASN 6 HA ASN 6 -10.274 -7.981 15.150 39 1HB ASN 6 2HB ASN 6 -10.307 -10.650 13.730 40 2HB ASN 6 1HB ASN 6 -8.860 -9.746 14.163 41 1HD2 ASN 6 1HD2 ASN 6 -9.935 -8.849 16.710 42 2HD2 ASN 6 2HD2 ASN 6 -9.915 -10.228 17.760 43 H LEU 7 H LEU 7 -10.956 -9.749 12.148 44 HA LEU 7 HA LEU 7 -10.000 -7.401 10.672 45 1HB LEU 7 2HB LEU 7 -8.842 -9.555 10.300 46 2HB LEU 7 1HB LEU 7 -10.354 -10.263 9.765 47 HG LEU 7 HG LEU 7 -10.396 -8.669 7.863 48 1HD1 LEU 7 1HD1 LEU 7 -8.401 -7.388 7.317 49 2HD1 LEU 7 2HD1 LEU 7 -7.634 -7.917 8.814 50 3HD1 LEU 7 3HD1 LEU 7 -9.062 -6.883 8.872 51 1HD2 LEU 7 1HD2 LEU 7 -9.494 -10.906 7.559 52 2HD2 LEU 7 2HD2 LEU 7 -7.904 -10.354 8.084 53 3HD2 LEU 7 3HD2 LEU 7 -8.600 -9.739 6.585 54 H ASP 8 H ASP 8 -12.747 -9.285 11.378 55 HA ASP 8 HA ASP 8 -14.388 -9.128 9.183 56 1HB ASP 8 2HB ASP 8 -15.222 -8.718 12.064 57 2HB ASP 8 1HB ASP 8 -16.282 -9.192 10.743 58 H THR 9 H THR 9 -13.874 -6.693 11.683 59 HA THR 9 HA THR 9 -15.801 -4.850 10.797 60 HB THR 9 HB THR 9 -13.240 -4.332 12.320 61 HG1 THR 9 1HG THR 9 -14.292 -5.169 13.943 62 1HG2 THR 9 1HG2 THR 9 -14.322 -2.280 13.090 63 2HG2 THR 9 2HG2 THR 9 -15.719 -2.627 12.068 64 3HG2 THR 9 3HG2 THR 9 -14.152 -2.278 11.335 65 H LEU 10 H LEU 10 -12.391 -5.260 9.984 66 HA LEU 10 HA LEU 10 -12.233 -2.731 8.649 67 1HB LEU 10 2HB LEU 10 -10.313 -5.028 8.915 68 2HB LEU 10 1HB LEU 10 -9.953 -3.619 7.941 69 HG LEU 10 HG LEU 10 -8.867 -3.296 10.014 70 1HD1 LEU 10 1HD1 LEU 10 -11.421 -1.696 10.002 71 2HD1 LEU 10 2HD1 LEU 10 -9.918 -1.300 9.166 72 3HD1 LEU 10 3HD1 LEU 10 -9.973 -1.304 10.930 73 1HD2 LEU 10 1HD2 LEU 10 -10.007 -3.400 12.179 74 2HD2 LEU 10 2HD2 LEU 10 -10.055 -4.950 11.340 75 3HD2 LEU 10 3HD2 LEU 10 -11.487 -3.922 11.374 76 H TYR 11 H TYR 11 -12.078 -6.109 7.480 77 HA TYR 11 HA TYR 11 -11.602 -5.250 4.823 78 1HB TYR 11 2HB TYR 11 -11.458 -7.495 4.191 79 2HB TYR 11 1HB TYR 11 -10.912 -7.508 5.859 80 HD1 TYR 11 1HD TYR 11 -13.582 -8.504 3.553 81 HD2 TYR 11 2HD TYR 11 -12.223 -8.608 7.578 82 HE1 TYR 11 1HE TYR 11 -15.224 -10.260 4.053 83 HE2 TYR 11 2HE TYR 11 -13.865 -10.361 8.094 84 HH TYR 11 HH TYR 11 -15.562 -12.065 5.697 85 H ARG 12 H ARG 12 -14.490 -6.267 6.576 86 HA ARG 12 HA ARG 12 -16.144 -6.370 4.266 87 1HB ARG 12 2HB ARG 12 -16.679 -7.449 6.474 88 2HB ARG 12 1HB ARG 12 -17.016 -5.847 7.116 89 1HG ARG 12 2HG ARG 12 -18.818 -5.558 5.524 90 2HG ARG 12 1HG ARG 12 -18.447 -7.120 4.792 91 1HD ARG 12 2HD ARG 12 -19.357 -6.668 7.632 92 2HD ARG 12 1HD ARG 12 -20.360 -7.267 6.312 93 HE ARG 12 HE ARG 12 -18.136 -8.712 7.582 94 1HH1 ARG 12 1HH1 ARG 12 -20.935 -8.686 5.484 95 2HH1 ARG 12 2HH1 ARG 12 -21.056 -10.419 5.408 96 1HH2 ARG 12 1HH2 ARG 12 -18.300 -10.991 7.508 97 2HH2 ARG 12 2HH2 ARG 12 -19.571 -11.733 6.576 98 H GLN 13 H GLN 13 -15.295 -3.880 6.594 99 HA GLN 13 HA GLN 13 -16.987 -1.862 5.566 100 1HB GLN 13 2HB GLN 13 -15.981 -1.705 7.795 101 2HB GLN 13 1HB GLN 13 -14.377 -1.634 7.080 102 1HG GLN 13 2HG GLN 13 -14.968 0.488 6.001 103 2HG GLN 13 1HG GLN 13 -16.554 0.420 6.768 104 1HE2 GLN 13 1HE2 GLN 13 -14.410 2.400 7.013 105 2HE2 GLN 13 2HE2 GLN 13 -14.029 2.475 8.704 106 H VAL 14 H VAL 14 -13.577 -2.742 4.959 107 HA VAL 14 HA VAL 14 -13.070 -0.593 3.187 108 HB VAL 14 HB VAL 14 -11.743 -3.304 3.323 109 1HG1 VAL 14 1HG1 VAL 14 -9.893 -2.251 2.072 110 2HG1 VAL 14 2HG1 VAL 14 -10.893 -0.816 1.838 111 3HG1 VAL 14 3HG1 VAL 14 -11.375 -2.355 1.123 112 1HG2 VAL 14 1HG2 VAL 14 -9.966 -2.091 4.499 113 2HG2 VAL 14 2HG2 VAL 14 -11.505 -1.978 5.354 114 3HG2 VAL 14 3HG2 VAL 14 -10.921 -0.610 4.407 115 H ILE 15 H ILE 15 -14.131 -3.930 2.545 116 HA ILE 15 HA ILE 15 -14.160 -3.682 -0.264 117 HB ILE 15 HB ILE 15 -15.717 -5.556 1.522 118 1HG1 ILE 15 2HG1 ILE 15 -13.299 -5.857 1.641 119 2HG1 ILE 15 1HG1 ILE 15 -14.031 -7.207 0.782 120 1HG2 ILE 15 1HG2 ILE 15 -15.385 -5.638 -1.474 121 2HG2 ILE 15 2HG2 ILE 15 -16.882 -5.325 -0.598 122 3HG2 ILE 15 3HG2 ILE 15 -16.112 -6.908 -0.490 123 1HD1 ILE 15 1HD1 ILE 15 -11.969 -6.504 -0.281 124 2HD1 ILE 15 2HD1 ILE 15 -12.609 -4.873 -0.478 125 3HD1 ILE 15 3HD1 ILE 15 -13.346 -6.218 -1.345 126 H MET 16 H MET 16 -16.732 -3.207 2.159 127 HA MET 16 HA MET 16 -18.809 -2.687 0.333 128 1HB MET 16 2HB MET 16 -19.234 -3.122 2.705 129 2HB MET 16 1HB MET 16 -18.437 -1.615 3.136 130 1HG MET 16 2HG MET 16 -20.175 -0.430 1.761 131 2HG MET 16 1HG MET 16 -21.024 -1.969 1.650 132 1HE MET 16 1HE MET 16 -23.176 -0.796 2.642 133 2HE MET 16 2HE MET 16 -22.320 0.738 2.813 134 3HE MET 16 3HE MET 16 -23.212 0.069 4.182 135 H ASP 17 H ASP 17 -16.623 -0.473 2.035 136 HA ASP 17 HA ASP 17 -17.621 1.935 1.008 137 1HB ASP 17 2HB ASP 17 -16.108 1.894 2.904 138 2HB ASP 17 1HB ASP 17 -14.826 1.208 1.911 139 H HIS 18 H HIS 18 -14.994 -0.132 -0.143 140 HA HIS 18 HA HIS 18 -14.351 1.607 -2.309 141 1HB HIS 18 2HB HIS 18 -12.823 -0.064 -1.061 142 2HB HIS 18 1HB HIS 18 -13.493 -1.262 -2.163 143 HD1 HIS 18 1HD HIS 18 -12.142 2.263 -2.658 144 HD2 HIS 18 2HD HIS 18 -11.762 -1.580 -4.199 145 HE1 HIS 18 1HE HIS 18 -10.472 2.444 -4.532 146 HE2 HIS 18 2HE HIS 18 -10.062 0.060 -5.241 147 H TYR 19 H TYR 19 -16.657 -0.898 -1.874 148 HA TYR 19 HA TYR 19 -17.019 -1.464 -4.665 149 1HB TYR 19 2HB TYR 19 -17.726 -2.972 -2.757 150 2HB TYR 19 1HB TYR 19 -19.037 -1.838 -2.451 151 HD1 TYR 19 1HD TYR 19 -20.975 -1.771 -3.870 152 HD2 TYR 19 2HD TYR 19 -17.697 -4.304 -4.834 153 HE1 TYR 19 1HE TYR 19 -22.365 -2.921 -5.542 154 HE2 TYR 19 2HE TYR 19 -19.075 -5.461 -6.509 155 HH TYR 19 HH TYR 19 -21.966 -4.251 -7.672 156 H LYS 20 H LYS 20 -18.278 0.834 -2.346 157 HA LYS 20 HA LYS 20 -20.310 1.862 -4.101 158 1HB LYS 20 2HB LYS 20 -20.508 2.002 -1.636 159 2HB LYS 20 1HB LYS 20 -19.123 3.084 -1.597 160 1HG LYS 20 2HG LYS 20 -20.326 4.792 -2.738 161 2HG LYS 20 1HG LYS 20 -21.662 3.694 -3.090 162 1HD LYS 20 2HD LYS 20 -20.811 4.494 -0.309 163 2HD LYS 20 1HD LYS 20 -22.110 5.276 -1.215 164 1HE LYS 20 2HE LYS 20 -23.304 3.146 -1.344 165 2HE LYS 20 1HE LYS 20 -22.004 2.355 -0.456 166 1HZ LYS 20 1HZ LYS 20 -23.763 4.520 0.574 167 2HZ LYS 20 2HZ LYS 20 -22.480 3.810 1.432 168 3HZ LYS 20 3HZ LYS 20 -23.832 2.879 1.006 169 H ASN 21 H ASN 21 -16.970 2.346 -3.548 170 HA ASN 21 HA ASN 21 -16.939 4.406 -5.666 171 1HB ASN 21 2HB ASN 21 -14.932 3.912 -3.448 172 2HB ASN 21 1HB ASN 21 -14.659 5.009 -4.797 173 1HD2 ASN 21 1HD2 ASN 21 -14.814 5.468 -1.888 174 2HD2 ASN 21 2HD2 ASN 21 -16.010 6.698 -1.685 175 HA PRO 22 HA PRO 22 -15.546 0.162 -6.801 176 1HB PRO 22 2HB PRO 22 -16.796 -0.095 -9.157 177 2HB PRO 22 1HB PRO 22 -17.667 -0.185 -7.620 178 1HG PRO 22 2HG PRO 22 -17.405 2.119 -9.516 179 2HG PRO 22 1HG PRO 22 -18.854 1.513 -8.694 180 1HD PRO 22 2HD PRO 22 -17.425 3.658 -7.816 181 2HD PRO 22 1HD PRO 22 -18.342 2.591 -6.734 182 H ARG 23 H ARG 23 -13.809 2.461 -7.354 183 HA ARG 23 HA ARG 23 -12.766 1.671 -9.984 184 1HB ARG 23 2HB ARG 23 -12.834 4.198 -8.567 185 2HB ARG 23 1HB ARG 23 -11.194 3.782 -9.044 186 1HG ARG 23 2HG ARG 23 -12.282 5.122 -10.747 187 2HG ARG 23 1HG ARG 23 -11.925 3.503 -11.353 188 1HD ARG 23 2HD ARG 23 -14.315 2.917 -10.660 189 2HD ARG 23 1HD ARG 23 -14.572 4.656 -10.531 190 HE ARG 23 HE ARG 23 -13.436 4.066 -13.040 191 1HH1 ARG 23 1HH1 ARG 23 -16.428 3.835 -11.250 192 2HH1 ARG 23 2HH1 ARG 23 -17.429 3.664 -12.664 193 1HH2 ARG 23 1HH2 ARG 23 -14.735 3.896 -14.927 194 2HH2 ARG 23 2HH2 ARG 23 -16.456 3.726 -14.761 195 H ASN 24 H ASN 24 -11.786 -0.261 -9.432 196 HA ASN 24 HA ASN 24 -9.324 0.093 -7.846 197 1HB ASN 24 2HB ASN 24 -11.225 -1.441 -6.878 198 2HB ASN 24 1HB ASN 24 -10.640 -2.597 -8.070 199 1HD2 ASN 24 1HD2 ASN 24 -8.863 -3.785 -7.575 200 2HD2 ASN 24 2HD2 ASN 24 -7.896 -3.552 -6.161 201 H LYS 25 H LYS 25 -10.284 0.132 -10.762 202 HA LYS 25 HA LYS 25 -8.109 -1.553 -11.790 203 1HB LYS 25 2HB LYS 25 -10.767 -0.844 -12.997 204 2HB LYS 25 1HB LYS 25 -9.411 -1.309 -14.013 205 1HG LYS 25 2HG LYS 25 -9.257 -3.429 -12.718 206 2HG LYS 25 1HG LYS 25 -10.744 -2.962 -11.885 207 1HD LYS 25 2HD LYS 25 -12.017 -3.090 -13.852 208 2HD LYS 25 1HD LYS 25 -10.585 -3.070 -14.883 209 1HE LYS 25 2HE LYS 25 -11.509 -5.301 -13.083 210 2HE LYS 25 1HE LYS 25 -11.487 -5.296 -14.847 211 1HZ LYS 25 1HZ LYS 25 -9.282 -5.630 -12.956 212 2HZ LYS 25 2HZ LYS 25 -8.941 -4.810 -14.397 213 3HZ LYS 25 3HZ LYS 25 -9.552 -6.392 -14.446 214 H GLY 26 H GLY 26 -6.635 0.156 -11.388 215 1HA GLY 26 2HA GLY 26 -6.841 2.313 -13.397 216 2HA GLY 26 1HA GLY 26 -6.032 2.505 -11.845 217 H VAL 27 H VAL 27 -5.404 2.195 -14.999 218 HA VAL 27 HA VAL 27 -2.885 0.794 -14.470 219 HB VAL 27 HB VAL 27 -3.030 -0.178 -16.797 220 1HG1 VAL 27 1HG1 VAL 27 -3.380 -1.509 -14.783 221 2HG1 VAL 27 2HG1 VAL 27 -4.440 -2.048 -16.086 222 3HG1 VAL 27 3HG1 VAL 27 -5.086 -1.061 -14.775 223 1HG2 VAL 27 1HG2 VAL 27 -5.267 -0.450 -17.770 224 2HG2 VAL 27 2HG2 VAL 27 -4.807 1.250 -17.685 225 3HG2 VAL 27 3HG2 VAL 27 -5.940 0.585 -16.509 226 H LEU 28 H LEU 28 -1.540 2.489 -14.470 227 HA LEU 28 HA LEU 28 -1.577 4.267 -16.824 228 1HB LEU 28 2HB LEU 28 -1.784 5.253 -14.504 229 2HB LEU 28 1HB LEU 28 -0.164 4.671 -14.183 230 HG LEU 28 HG LEU 28 0.602 6.111 -16.133 231 1HD1 LEU 28 1HD1 LEU 28 -2.161 7.261 -15.763 232 2HD1 LEU 28 2HD1 LEU 28 -1.549 6.443 -17.202 233 3HD1 LEU 28 3HD1 LEU 28 -0.865 7.994 -16.710 234 1HD2 LEU 28 1HD2 LEU 28 0.993 6.725 -13.808 235 2HD2 LEU 28 2HD2 LEU 28 -0.608 7.458 -13.718 236 3HD2 LEU 28 3HD2 LEU 28 0.621 8.151 -14.777 237 H ASN 29 H ASN 29 0.734 5.034 -17.382 238 HA ASN 29 HA ASN 29 2.904 3.349 -16.555 239 1HB ASN 29 2HB ASN 29 3.614 2.770 -18.888 240 2HB ASN 29 1HB ASN 29 2.154 1.949 -18.362 241 1HD2 ASN 29 1HD2 ASN 29 3.546 4.148 -20.600 242 2HD2 ASN 29 2HD2 ASN 29 2.141 4.368 -21.586 243 H ASP 30 H ASP 30 4.067 5.017 -15.815 244 HA ASP 30 HA ASP 30 4.674 7.205 -17.652 245 1HB ASP 30 2HB ASP 30 2.654 7.862 -16.376 246 2HB ASP 30 1HB ASP 30 3.555 7.653 -14.880 247 H SER 31 H SER 31 5.109 7.332 -14.183 248 HA SER 31 HA SER 31 8.007 7.244 -14.635 249 1HB SER 31 2HB SER 31 7.854 8.436 -12.254 250 2HB SER 31 1HB SER 31 7.671 9.338 -13.759 251 HG SER 31 HG SER 31 5.486 9.372 -13.497 252 H ILE 32 H ILE 32 5.818 6.657 -11.863 253 HA ILE 32 HA ILE 32 7.524 4.447 -11.039 254 HB ILE 32 HB ILE 32 5.048 5.608 -9.757 255 1HG1 ILE 32 2HG1 ILE 32 7.972 5.686 -8.978 256 2HG1 ILE 32 1HG1 ILE 32 7.045 7.031 -9.636 257 1HG2 ILE 32 1HG2 ILE 32 5.580 4.160 -7.834 258 2HG2 ILE 32 2HG2 ILE 32 6.840 3.382 -8.793 259 3HG2 ILE 32 3HG2 ILE 32 5.150 3.236 -9.275 260 1HD1 ILE 32 1HD1 ILE 32 7.314 7.234 -7.240 261 2HD1 ILE 32 2HD1 ILE 32 6.548 5.662 -7.006 262 3HD1 ILE 32 3HD1 ILE 32 5.618 7.009 -7.665 263 H VAL 33 H VAL 33 7.214 2.452 -11.626 264 HA VAL 33 HA VAL 33 4.522 1.530 -12.349 265 HB VAL 33 HB VAL 33 6.974 0.945 -14.029 266 1HG1 VAL 33 1HG1 VAL 33 5.406 -0.907 -13.987 267 2HG1 VAL 33 2HG1 VAL 33 5.392 -0.125 -15.567 268 3HG1 VAL 33 3HG1 VAL 33 4.085 0.179 -14.424 269 1HG2 VAL 33 1HG2 VAL 33 6.264 3.239 -14.386 270 2HG2 VAL 33 2HG2 VAL 33 4.605 2.705 -14.654 271 3HG2 VAL 33 3HG2 VAL 33 5.871 2.252 -15.795 272 H VAL 34 H VAL 34 4.447 0.368 -10.415 273 HA VAL 34 HA VAL 34 6.463 -1.760 -10.176 274 HB VAL 34 HB VAL 34 5.771 -1.920 -7.761 275 1HG1 VAL 34 1HG1 VAL 34 6.934 0.713 -8.660 276 2HG1 VAL 34 2HG1 VAL 34 7.823 -0.796 -8.460 277 3HG1 VAL 34 3HG1 VAL 34 7.107 -0.004 -7.057 278 1HG2 VAL 34 1HG2 VAL 34 3.610 -0.795 -7.896 279 2HG2 VAL 34 2HG2 VAL 34 4.409 0.710 -8.350 280 3HG2 VAL 34 3HG2 VAL 34 4.669 0.023 -6.746 281 H ASP 35 H ASP 35 5.757 -3.555 -10.996 282 HA ASP 35 HA ASP 35 3.021 -4.451 -10.378 283 1HB ASP 35 2HB ASP 35 4.965 -5.489 -12.464 284 2HB ASP 35 1HB ASP 35 3.351 -6.123 -12.177 285 H MET 36 H MET 36 2.827 -6.042 -8.875 286 HA MET 36 HA MET 36 5.229 -7.593 -8.226 287 1HB MET 36 2HB MET 36 4.591 -5.651 -6.588 288 2HB MET 36 1HB MET 36 3.301 -6.732 -6.085 289 1HG MET 36 2HG MET 36 6.233 -7.407 -6.023 290 2HG MET 36 1HG MET 36 5.293 -6.842 -4.644 291 1HE MET 36 1HE MET 36 7.060 -9.527 -4.692 292 2HE MET 36 2HE MET 36 5.980 -10.634 -3.845 293 3HE MET 36 3HE MET 36 6.165 -8.975 -3.274 294 H ASN 37 H ASN 37 4.816 -9.641 -8.498 295 HA ASN 37 HA ASN 37 2.021 -10.527 -8.333 296 1HB ASN 37 2HB ASN 37 2.505 -12.199 -10.041 297 2HB ASN 37 1HB ASN 37 2.876 -10.584 -10.629 298 1HD2 ASN 37 1HD2 ASN 37 5.014 -10.016 -11.018 299 2HD2 ASN 37 2HD2 ASN 37 6.278 -11.196 -11.109 300 H ASN 38 H ASN 38 1.500 -12.037 -6.962 301 HA ASN 38 HA ASN 38 3.588 -13.863 -5.956 302 1HB ASN 38 2HB ASN 38 2.379 -12.716 -4.155 303 2HB ASN 38 1HB ASN 38 0.835 -13.182 -4.851 304 1HD2 ASN 38 1HD2 ASN 38 2.180 -13.650 -2.192 305 2HD2 ASN 38 2HD2 ASN 38 2.045 -15.359 -1.940 306 HA PRO 39 HA PRO 39 2.009 -16.023 -9.454 307 1HB PRO 39 2HB PRO 39 3.782 -18.209 -8.569 308 2HB PRO 39 1HB PRO 39 3.817 -17.259 -10.058 309 1HG PRO 39 2HG PRO 39 5.658 -16.910 -8.165 310 2HG PRO 39 1HG PRO 39 5.017 -15.534 -9.084 311 1HD PRO 39 2HD PRO 39 4.301 -16.465 -6.324 312 2HD PRO 39 1HD PRO 39 4.607 -14.815 -6.909 313 H THR 40 H THR 40 0.350 -16.373 -7.124 314 HA THR 40 HA THR 40 -1.143 -18.574 -7.949 315 HB THR 40 HB THR 40 0.543 -20.003 -6.975 316 HG1 THR 40 1HG THR 40 -1.958 -20.103 -6.341 317 1HG2 THR 40 1HG2 THR 40 1.147 -19.913 -4.607 318 2HG2 THR 40 2HG2 THR 40 0.132 -18.486 -4.397 319 3HG2 THR 40 3HG2 THR 40 1.564 -18.406 -5.424 320 H CYS 41 H CYS 41 -0.326 -16.295 -5.394 321 HA CYS 41 HA CYS 41 -3.142 -16.279 -4.594 322 1HB CYS 41 2HB CYS 41 -1.815 -17.732 -3.058 323 2HB CYS 41 1HB CYS 41 -0.863 -16.314 -2.617 324 HG CYS 41 HG CYS 41 -3.279 -17.331 -0.980 325 H GLY 42 H GLY 42 -1.147 -14.484 -6.046 326 1HA GLY 42 2HA GLY 42 -2.289 -12.023 -5.147 327 2HA GLY 42 1HA GLY 42 -0.583 -12.143 -4.722 328 H ASP 43 H ASP 43 -2.304 -13.389 -7.461 329 HA ASP 43 HA ASP 43 -0.528 -13.381 -9.386 330 1HB ASP 43 2HB ASP 43 -3.425 -12.655 -9.612 331 2HB ASP 43 1HB ASP 43 -2.403 -12.868 -11.032 332 H ARG 44 H ARG 44 -2.449 -10.282 -8.959 333 HA ARG 44 HA ARG 44 -0.014 -8.985 -9.925 334 1HB ARG 44 2HB ARG 44 -1.250 -9.384 -11.977 335 2HB ARG 44 1HB ARG 44 -2.687 -8.639 -11.290 336 1HG ARG 44 2HG ARG 44 -1.541 -6.493 -11.184 337 2HG ARG 44 1HG ARG 44 -0.079 -7.233 -11.834 338 1HD ARG 44 2HD ARG 44 -2.729 -7.166 -13.269 339 2HD ARG 44 1HD ARG 44 -1.440 -5.988 -13.511 340 HE ARG 44 HE ARG 44 -0.654 -8.751 -13.892 341 1HH1 ARG 44 1HH1 ARG 44 -1.887 -5.830 -15.385 342 2HH1 ARG 44 2HH1 ARG 44 -1.377 -6.276 -16.989 343 1HH2 ARG 44 1HH2 ARG 44 0.019 -9.344 -15.993 344 2HH2 ARG 44 2HH2 ARG 44 -0.273 -8.280 -17.334 345 H ILE 45 H ILE 45 0.408 -7.146 -8.863 346 HA ILE 45 HA ILE 45 -1.910 -5.487 -8.186 347 HB ILE 45 HB ILE 45 -1.088 -6.240 -6.051 348 1HG1 ILE 45 2HG1 ILE 45 -0.152 -3.417 -6.612 349 2HG1 ILE 45 1HG1 ILE 45 -1.788 -3.899 -6.176 350 1HG2 ILE 45 1HG2 ILE 45 1.148 -6.937 -6.703 351 2HG2 ILE 45 2HG2 ILE 45 1.198 -5.885 -5.288 352 3HG2 ILE 45 3HG2 ILE 45 1.632 -5.250 -6.877 353 1HD1 ILE 45 1HD1 ILE 45 0.654 -4.158 -4.434 354 2HD1 ILE 45 2HD1 ILE 45 -0.985 -4.640 -3.992 355 3HD1 ILE 45 3HD1 ILE 45 -0.613 -2.941 -4.283 356 H ARG 46 H ARG 46 -1.794 -4.275 -9.999 357 HA ARG 46 HA ARG 46 0.746 -3.109 -10.796 358 1HB ARG 46 2HB ARG 46 -0.499 -3.796 -12.660 359 2HB ARG 46 1HB ARG 46 -2.007 -3.182 -11.997 360 1HG ARG 46 2HG ARG 46 -1.628 -1.065 -12.718 361 2HG ARG 46 1HG ARG 46 0.123 -1.208 -12.565 362 1HD ARG 46 2HD ARG 46 -1.432 -2.691 -14.665 363 2HD ARG 46 1HD ARG 46 -0.829 -1.053 -14.920 364 HE ARG 46 HE ARG 46 1.158 -2.960 -14.012 365 1HH1 ARG 46 1HH1 ARG 46 -0.438 -1.595 -16.818 366 2HH1 ARG 46 2HH1 ARG 46 0.927 -1.814 -17.859 367 1HH2 ARG 46 1HH2 ARG 46 2.959 -3.225 -15.357 368 2HH2 ARG 46 2HH2 ARG 46 2.872 -2.742 -17.033 369 H LEU 47 H LEU 47 1.432 -1.339 -9.888 370 HA LEU 47 HA LEU 47 -0.515 0.727 -9.116 371 1HB LEU 47 2HB LEU 47 0.743 -0.729 -7.283 372 2HB LEU 47 1HB LEU 47 2.049 0.387 -7.620 373 HG LEU 47 HG LEU 47 -0.705 1.162 -6.653 374 1HD1 LEU 47 1HD1 LEU 47 0.446 1.707 -4.565 375 2HD1 LEU 47 2HD1 LEU 47 1.948 1.066 -5.232 376 3HD1 LEU 47 3HD1 LEU 47 0.574 -0.005 -4.956 377 1HD2 LEU 47 1HD2 LEU 47 1.771 2.835 -7.060 378 2HD2 LEU 47 2HD2 LEU 47 0.261 3.381 -6.332 379 3HD2 LEU 47 3HD2 LEU 47 0.301 2.906 -8.030 380 H THR 48 H THR 48 -0.213 2.275 -10.618 381 HA THR 48 HA THR 48 2.569 2.913 -11.346 382 HB THR 48 HB THR 48 1.319 3.850 -13.476 383 HG1 THR 48 1HG THR 48 -0.437 1.894 -12.375 384 1HG2 THR 48 1HG2 THR 48 1.741 1.695 -14.581 385 2HG2 THR 48 2HG2 THR 48 1.859 0.912 -13.005 386 3HG2 THR 48 3HG2 THR 48 3.053 2.121 -13.481 387 H MET 49 H MET 49 3.198 4.765 -10.538 388 HA MET 49 HA MET 49 1.161 6.736 -9.765 389 1HB MET 49 2HB MET 49 3.991 6.364 -8.770 390 2HB MET 49 1HB MET 49 2.866 7.588 -8.198 391 1HG MET 49 2HG MET 49 1.428 5.914 -7.271 392 2HG MET 49 1HG MET 49 2.394 4.624 -7.984 393 1HE MET 49 1HE MET 49 2.366 7.544 -5.318 394 2HE MET 49 2HE MET 49 3.729 7.909 -6.374 395 3HE MET 49 3HE MET 49 4.013 7.429 -4.702 396 H LYS 50 H LYS 50 1.732 9.014 -9.912 397 HA LYS 50 HA LYS 50 3.863 9.591 -11.838 398 1HB LYS 50 2HB LYS 50 1.847 9.844 -13.122 399 2HB LYS 50 1HB LYS 50 1.077 10.760 -11.830 400 1HG LYS 50 2HG LYS 50 2.667 12.578 -12.151 401 2HG LYS 50 1HG LYS 50 3.469 11.661 -13.425 402 1HD LYS 50 2HD LYS 50 0.549 12.177 -13.650 403 2HD LYS 50 1HD LYS 50 1.670 13.498 -13.979 404 1HE LYS 50 2HE LYS 50 1.692 10.793 -15.316 405 2HE LYS 50 1HE LYS 50 1.050 12.279 -16.018 406 1HZ LYS 50 1HZ LYS 50 3.180 12.096 -16.893 407 2HZ LYS 50 2HZ LYS 50 3.860 11.575 -15.434 408 3HZ LYS 50 3HZ LYS 50 3.390 13.197 -15.620 409 H LEU 51 H LEU 51 5.295 10.424 -10.538 410 HA LEU 51 HA LEU 51 4.506 12.574 -8.728 411 1HB LEU 51 2HB LEU 51 6.514 12.183 -7.466 412 2HB LEU 51 1HB LEU 51 5.660 10.667 -7.642 413 HG LEU 51 HG LEU 51 8.079 11.450 -9.278 414 1HD1 LEU 51 1HD1 LEU 51 9.288 9.851 -7.851 415 2HD1 LEU 51 2HD1 LEU 51 7.853 9.702 -6.833 416 3HD1 LEU 51 3HD1 LEU 51 8.695 11.248 -6.953 417 1HD2 LEU 51 1HD2 LEU 51 6.666 8.806 -8.937 418 2HD2 LEU 51 2HD2 LEU 51 8.151 9.075 -9.851 419 3HD2 LEU 51 3HD2 LEU 51 6.642 9.818 -10.382 420 H ASP 52 H ASP 52 4.528 14.346 -10.011 421 HA ASP 52 HA ASP 52 6.695 14.547 -11.973 422 1HB ASP 52 2HB ASP 52 5.422 16.313 -13.044 423 2HB ASP 52 1HB ASP 52 4.384 14.919 -12.779 424 H GLY 53 H GLY 53 8.021 14.755 -9.980 425 1HA GLY 53 2HA GLY 53 9.474 16.898 -9.686 426 2HA GLY 53 1HA GLY 53 8.030 17.447 -8.841 427 H ASP 54 H ASP 54 7.632 16.808 -6.856 428 HA ASP 54 HA ASP 54 9.155 14.623 -5.639 429 1HB ASP 54 2HB ASP 54 9.180 17.487 -4.662 430 2HB ASP 54 1HB ASP 54 9.581 16.127 -3.622 431 H ILE 55 H ILE 55 6.406 14.941 -6.450 432 HA ILE 55 HA ILE 55 5.040 14.760 -3.911 433 HB ILE 55 HB ILE 55 3.076 15.941 -5.163 434 1HG1 ILE 55 2HG1 ILE 55 3.867 17.798 -6.644 435 2HG1 ILE 55 1HG1 ILE 55 5.466 17.068 -6.646 436 1HG2 ILE 55 1HG2 ILE 55 4.080 16.805 -3.141 437 2HG2 ILE 55 2HG2 ILE 55 3.761 18.121 -4.273 438 3HG2 ILE 55 3HG2 ILE 55 5.403 17.510 -4.071 439 1HD1 ILE 55 1HD1 ILE 55 4.254 16.542 -8.680 440 2HD1 ILE 55 2HD1 ILE 55 2.952 15.819 -7.737 441 3HD1 ILE 55 3HD1 ILE 55 4.553 15.082 -7.739 442 H VAL 56 H VAL 56 3.169 13.471 -4.086 443 HA VAL 56 HA VAL 56 3.089 11.699 -6.386 444 HB VAL 56 HB VAL 56 1.315 11.686 -3.933 445 1HG1 VAL 56 1HG1 VAL 56 0.305 10.578 -5.852 446 2HG1 VAL 56 2HG1 VAL 56 0.763 9.402 -4.620 447 3HG1 VAL 56 3HG1 VAL 56 1.756 9.598 -6.065 448 1HG2 VAL 56 1HG2 VAL 56 3.657 11.308 -3.333 449 2HG2 VAL 56 2HG2 VAL 56 3.755 10.009 -4.521 450 3HG2 VAL 56 3HG2 VAL 56 2.694 9.847 -3.123 451 H GLU 57 H GLU 57 2.148 12.669 -8.145 452 HA GLU 57 HA GLU 57 -0.039 14.519 -7.722 453 1HB GLU 57 2HB GLU 57 1.465 15.082 -9.528 454 2HB GLU 57 1HB GLU 57 1.211 13.513 -10.287 455 1HG GLU 57 2HG GLU 57 -1.089 14.051 -10.746 456 2HG GLU 57 1HG GLU 57 -0.951 15.562 -9.856 457 H ASP 58 H ASP 58 0.467 11.340 -9.227 458 HA ASP 58 HA ASP 58 -2.237 10.666 -8.370 459 1HB ASP 58 2HB ASP 58 -2.303 11.743 -10.728 460 2HB ASP 58 1HB ASP 58 -1.629 10.209 -11.270 461 H ALA 59 H ALA 59 -2.789 8.370 -8.978 462 HA ALA 59 HA ALA 59 -0.590 6.572 -9.475 463 1HB ALA 59 1HB ALA 59 -0.254 7.059 -7.099 464 2HB ALA 59 2HB ALA 59 -0.746 5.384 -7.349 465 3HB ALA 59 3HB ALA 59 -1.914 6.568 -6.763 466 H LYS 60 H LYS 60 -1.359 4.803 -10.476 467 HA LYS 60 HA LYS 60 -4.270 4.345 -10.350 468 1HB LYS 60 2HB LYS 60 -2.362 3.650 -12.591 469 2HB LYS 60 1HB LYS 60 -4.102 3.411 -12.601 470 1HG LYS 60 2HG LYS 60 -2.610 6.022 -12.643 471 2HG LYS 60 1HG LYS 60 -3.608 5.328 -13.920 472 1HD LYS 60 2HD LYS 60 -5.556 5.489 -12.349 473 2HD LYS 60 1HD LYS 60 -4.512 6.398 -11.253 474 1HE LYS 60 2HE LYS 60 -4.085 7.980 -13.178 475 2HE LYS 60 1HE LYS 60 -5.391 7.158 -14.030 476 1HZ LYS 60 1HZ LYS 60 -5.523 8.827 -11.609 477 2HZ LYS 60 2HZ LYS 60 -6.738 7.681 -11.924 478 3HZ LYS 60 3HZ LYS 60 -6.447 8.934 -13.028 479 H PHE 61 H PHE 61 -4.960 2.383 -9.692 480 HA PHE 61 HA PHE 61 -2.912 0.318 -9.304 481 1HB PHE 61 2HB PHE 61 -4.080 -0.224 -7.114 482 2HB PHE 61 1HB PHE 61 -3.150 1.268 -7.147 483 HD1 PHE 61 1HD PHE 61 -4.237 3.416 -7.006 484 HD2 PHE 61 2HD PHE 61 -6.512 -0.182 -7.007 485 HE1 PHE 61 1HE PHE 61 -6.208 4.667 -6.229 486 HE2 PHE 61 2HE PHE 61 -8.486 1.063 -6.233 487 HZ PHE 61 HZ PHE 61 -8.336 3.489 -5.843 488 H GLU 62 H GLU 62 -3.422 -1.575 -10.106 489 HA GLU 62 HA GLU 62 -6.194 -2.498 -9.928 490 1HB GLU 62 2HB GLU 62 -5.920 -1.849 -12.274 491 2HB GLU 62 1HB GLU 62 -4.456 -2.821 -12.390 492 1HG GLU 62 2HG GLU 62 -5.786 -4.840 -11.924 493 2HG GLU 62 1HG GLU 62 -7.241 -3.853 -11.876 494 H GLY 63 H GLY 63 -6.024 -4.063 -8.481 495 1HA GLY 63 2HA GLY 63 -3.786 -5.972 -8.750 496 2HA GLY 63 1HA GLY 63 -4.539 -5.556 -7.216 497 H GLU 64 H GLU 64 -4.230 -8.160 -8.858 498 HA GLU 64 HA GLU 64 -7.059 -8.884 -8.575 499 1HB GLU 64 2HB GLU 64 -6.248 -8.484 -11.022 500 2HB GLU 64 1HB GLU 64 -5.450 -10.040 -10.827 501 1HG GLU 64 2HG GLU 64 -7.483 -11.170 -10.539 502 2HG GLU 64 1HG GLU 64 -8.368 -9.672 -10.248 503 H GLY 65 H GLY 65 -7.025 -10.152 -6.918 504 1HA GLY 65 2HA GLY 65 -5.585 -12.579 -6.789 505 2HA GLY 65 1HA GLY 65 -4.764 -11.348 -5.835 506 H CYS 66 H CYS 66 -5.228 -11.630 -3.777 507 HA CYS 66 HA CYS 66 -7.731 -12.873 -3.015 508 1HB CYS 66 2HB CYS 66 -6.409 -12.406 -0.675 509 2HB CYS 66 1HB CYS 66 -6.225 -13.859 -1.652 510 HG CYS 66 HG CYS 66 -4.205 -11.157 -2.180 511 H SER 67 H SER 67 -8.998 -11.980 -1.239 512 HA SER 67 HA SER 67 -10.026 -9.503 -1.836 513 1HB SER 67 2HB SER 67 -10.141 -10.765 0.905 514 2HB SER 67 1HB SER 67 -11.350 -9.729 0.139 515 HG SER 67 HG SER 67 -11.588 -11.425 -1.460 516 H ILE 68 H ILE 68 -7.508 -10.303 0.506 517 HA ILE 68 HA ILE 68 -7.547 -7.744 1.748 518 HB ILE 68 HB ILE 68 -5.298 -8.504 2.717 519 1HG1 ILE 68 2HG1 ILE 68 -5.323 -11.154 2.672 520 2HG1 ILE 68 1HG1 ILE 68 -6.075 -10.900 1.103 521 1HG2 ILE 68 1HG2 ILE 68 -7.795 -10.109 3.226 522 2HG2 ILE 68 2HG2 ILE 68 -7.386 -8.553 3.945 523 3HG2 ILE 68 3HG2 ILE 68 -6.419 -9.978 4.321 524 1HD1 ILE 68 1HD1 ILE 68 -4.147 -9.619 0.371 525 2HD1 ILE 68 2HD1 ILE 68 -3.671 -11.227 0.921 526 3HD1 ILE 68 3HD1 ILE 68 -3.398 -9.824 1.954 527 H SER 69 H SER 69 -5.484 -9.185 -0.767 528 HA SER 69 HA SER 69 -3.637 -7.020 -0.757 529 1HB SER 69 2HB SER 69 -2.933 -8.083 -2.992 530 2HB SER 69 1HB SER 69 -2.772 -9.065 -1.537 531 HG SER 69 HG SER 69 -4.811 -9.193 -3.511 532 H MET 70 H MET 70 -6.438 -7.875 -2.696 533 HA MET 70 HA MET 70 -6.343 -5.799 -4.571 534 1HB MET 70 2HB MET 70 -7.862 -7.691 -4.765 535 2HB MET 70 1HB MET 70 -8.724 -7.183 -3.321 536 1HG MET 70 2HG MET 70 -9.460 -5.164 -4.457 537 2HG MET 70 1HG MET 70 -8.573 -5.647 -5.902 538 1HE MET 70 1HE MET 70 -11.593 -6.454 -3.518 539 2HE MET 70 2HE MET 70 -10.633 -7.932 -3.438 540 3HE MET 70 3HE MET 70 -12.210 -7.947 -4.226 541 H ALA 71 H ALA 71 -7.528 -5.867 -1.271 542 HA ALA 71 HA ALA 71 -8.767 -3.261 -1.466 543 1HB ALA 71 1HB ALA 71 -8.450 -5.055 0.932 544 2HB ALA 71 2HB ALA 71 -9.821 -5.065 -0.177 545 3HB ALA 71 3HB ALA 71 -9.496 -3.641 0.809 546 H SER 72 H SER 72 -6.007 -4.712 0.254 547 HA SER 72 HA SER 72 -5.274 -2.522 1.809 548 1HB SER 72 2HB SER 72 -4.304 -4.747 2.115 549 2HB SER 72 1HB SER 72 -3.514 -4.641 0.544 550 HG SER 72 HG SER 72 -2.828 -2.500 1.986 551 H ALA 73 H ALA 73 -4.289 -3.392 -1.459 552 HA ALA 73 HA ALA 73 -2.445 -1.422 -1.994 553 1HB ALA 73 1HB ALA 73 -2.883 -3.319 -3.479 554 2HB ALA 73 2HB ALA 73 -2.948 -1.785 -4.345 555 3HB ALA 73 3HB ALA 73 -4.441 -2.614 -3.913 556 H SER 74 H SER 74 -5.940 -1.338 -2.737 557 HA SER 74 HA SER 74 -5.941 1.236 -3.800 558 1HB SER 74 2HB SER 74 -8.403 1.205 -3.314 559 2HB SER 74 1HB SER 74 -7.813 -0.206 -4.190 560 HG SER 74 HG SER 74 -7.617 -0.872 -1.693 561 H MET 75 H MET 75 -6.279 0.183 -0.441 562 HA MET 75 HA MET 75 -7.198 2.747 0.461 563 1HB MET 75 2HB MET 75 -7.797 0.665 1.641 564 2HB MET 75 1HB MET 75 -6.106 0.419 2.054 565 1HG MET 75 2HG MET 75 -6.106 2.445 3.384 566 2HG MET 75 1HG MET 75 -7.773 2.771 2.919 567 1HE MET 75 1HE MET 75 -8.471 3.047 5.459 568 2HE MET 75 2HE MET 75 -6.795 2.759 5.928 569 3HE MET 75 3HE MET 75 -8.095 1.859 6.708 570 H MET 76 H MET 76 -4.125 0.999 0.437 571 HA MET 76 HA MET 76 -2.757 3.017 1.941 572 1HB MET 76 2HB MET 76 -1.689 0.772 0.224 573 2HB MET 76 1HB MET 76 -0.711 1.773 1.289 574 1HG MET 76 2HG MET 76 -1.928 0.960 3.220 575 2HG MET 76 1HG MET 76 -2.986 0.011 2.179 576 1HE MET 76 1HE MET 76 0.516 0.342 3.840 577 2HE MET 76 2HE MET 76 0.936 0.594 2.146 578 3HE MET 76 3HE MET 76 1.471 -0.866 2.981 579 H THR 77 H THR 77 -3.324 2.413 -1.458 580 HA THR 77 HA THR 77 -1.373 4.261 -2.423 581 HB THR 77 HB THR 77 -3.814 3.172 -3.846 582 HG1 THR 77 1HG THR 77 -2.494 1.469 -3.216 583 1HG2 THR 77 1HG2 THR 77 -2.824 5.132 -4.951 584 2HG2 THR 77 2HG2 THR 77 -2.589 3.661 -5.895 585 3HG2 THR 77 3HG2 THR 77 -1.252 4.328 -4.957 586 H GLN 78 H GLN 78 -4.508 4.636 -1.095 587 HA GLN 78 HA GLN 78 -5.118 7.091 -2.498 588 1HB GLN 78 2HB GLN 78 -6.484 5.588 -0.277 589 2HB GLN 78 1HB GLN 78 -6.988 7.209 -0.728 590 1HG GLN 78 2HG GLN 78 -7.400 6.401 -3.025 591 2HG GLN 78 1HG GLN 78 -6.989 4.771 -2.492 592 1HE2 GLN 78 1HE2 GLN 78 -9.509 5.848 -3.576 593 2HE2 GLN 78 2HE2 GLN 78 -10.712 5.504 -2.373 594 H ALA 79 H ALA 79 -4.091 6.059 0.695 595 HA ALA 79 HA ALA 79 -3.943 8.586 1.899 596 1HB ALA 79 1HB ALA 79 -2.433 7.525 3.510 597 2HB ALA 79 2HB ALA 79 -2.277 6.128 2.444 598 3HB ALA 79 3HB ALA 79 -3.835 6.509 3.176 599 H ILE 80 H ILE 80 -1.679 6.770 -0.124 600 HA ILE 80 HA ILE 80 0.437 8.700 0.381 601 HB ILE 80 HB ILE 80 1.812 7.441 -1.186 602 1HG1 ILE 80 2HG1 ILE 80 0.692 5.142 -1.901 603 2HG1 ILE 80 1HG1 ILE 80 -0.775 6.115 -1.860 604 1HG2 ILE 80 1HG2 ILE 80 1.869 5.304 0.030 605 2HG2 ILE 80 2HG2 ILE 80 0.322 5.713 0.771 606 3HG2 ILE 80 3HG2 ILE 80 1.745 6.701 1.099 607 1HD1 ILE 80 1HD1 ILE 80 1.681 6.685 -3.508 608 2HD1 ILE 80 2HD1 ILE 80 0.215 7.664 -3.468 609 3HD1 ILE 80 3HD1 ILE 80 0.158 6.018 -4.098 610 H LYS 81 H LYS 81 -2.130 8.354 -1.810 611 HA LYS 81 HA LYS 81 -1.101 9.713 -4.053 612 1HB LYS 81 2HB LYS 81 -3.047 8.335 -4.285 613 2HB LYS 81 1HB LYS 81 -3.917 9.257 -3.068 614 1HG LYS 81 2HG LYS 81 -4.042 11.162 -4.539 615 2HG LYS 81 1HG LYS 81 -3.045 10.338 -5.738 616 1HD LYS 81 2HD LYS 81 -4.743 8.763 -6.207 617 2HD LYS 81 1HD LYS 81 -5.676 9.233 -4.785 618 1HE LYS 81 2HE LYS 81 -6.611 10.097 -6.917 619 2HE LYS 81 1HE LYS 81 -6.199 11.365 -5.763 620 1HZ LYS 81 1HZ LYS 81 -5.474 11.983 -7.954 621 2HZ LYS 81 2HZ LYS 81 -4.594 10.543 -8.134 622 3HZ LYS 81 3HZ LYS 81 -4.113 11.703 -6.982 623 H GLY 82 H GLY 82 -2.153 10.855 -0.971 624 1HA GLY 82 2HA GLY 82 -2.545 13.564 -2.080 625 2HA GLY 82 1HA GLY 82 -3.191 13.002 -0.547 626 H LYS 83 H LYS 83 0.134 12.382 -1.567 627 HA LYS 83 HA LYS 83 1.030 14.423 0.340 628 1HB LYS 83 2HB LYS 83 1.988 11.551 0.345 629 2HB LYS 83 1HB LYS 83 2.653 12.847 1.329 630 1HG LYS 83 2HG LYS 83 0.420 13.090 2.403 631 2HG LYS 83 1HG LYS 83 -0.112 11.670 1.500 632 1HD LYS 83 2HD LYS 83 1.743 10.386 2.556 633 2HD LYS 83 1HD LYS 83 2.096 11.803 3.549 634 1HE LYS 83 2HE LYS 83 -0.222 11.715 4.419 635 2HE LYS 83 1HE LYS 83 -0.477 10.230 3.503 636 1HZ LYS 83 1HZ LYS 83 1.548 9.383 4.778 637 2HZ LYS 83 2HZ LYS 83 0.084 9.494 5.613 638 3HZ LYS 83 3HZ LYS 83 1.277 10.683 5.837 639 H ASP 84 H ASP 84 3.672 14.114 0.264 640 HA ASP 84 HA ASP 84 4.407 14.213 -2.546 641 1HB ASP 84 2HB ASP 84 6.204 15.726 -1.908 642 2HB ASP 84 1HB ASP 84 4.681 16.378 -1.313 643 H ILE 85 H ILE 85 7.093 13.987 -2.175 644 HA ILE 85 HA ILE 85 7.134 11.130 -1.687 645 HB ILE 85 HB ILE 85 9.332 12.840 -2.848 646 1HG1 ILE 85 2HG1 ILE 85 7.532 13.046 -4.352 647 2HG1 ILE 85 1HG1 ILE 85 8.486 11.720 -5.007 648 1HG2 ILE 85 1HG2 ILE 85 10.169 10.694 -3.744 649 2HG2 ILE 85 2HG2 ILE 85 8.915 9.847 -2.838 650 3HG2 ILE 85 3HG2 ILE 85 10.174 10.735 -1.980 651 1HD1 ILE 85 1HD1 ILE 85 5.975 11.444 -3.362 652 2HD1 ILE 85 2HD1 ILE 85 6.928 10.113 -4.020 653 3HD1 ILE 85 3HD1 ILE 85 6.107 11.232 -5.108 654 H GLU 86 H GLU 86 8.555 14.043 -0.349 655 HA GLU 86 HA GLU 86 10.485 12.633 1.233 656 1HB GLU 86 2HB GLU 86 9.474 15.467 1.468 657 2HB GLU 86 1HB GLU 86 10.863 14.807 2.323 658 1HG GLU 86 2HG GLU 86 11.910 14.334 0.119 659 2HG GLU 86 1HG GLU 86 10.562 15.178 -0.644 660 H THR 87 H THR 87 7.302 14.063 1.819 661 HA THR 87 HA THR 87 7.207 13.298 4.567 662 HB THR 87 HB THR 87 4.863 13.837 2.731 663 HG1 THR 87 1HG THR 87 5.699 15.776 2.654 664 1HG2 THR 87 1HG2 THR 87 4.229 12.849 4.877 665 2HG2 THR 87 2HG2 THR 87 3.741 14.541 4.803 666 3HG2 THR 87 3HG2 THR 87 5.166 14.074 5.729 667 H ALA 88 H ALA 88 6.607 11.667 1.572 668 HA ALA 88 HA ALA 88 5.181 9.469 2.733 669 1HB ALA 88 1HB ALA 88 4.939 10.010 0.359 670 2HB ALA 88 2HB ALA 88 5.519 8.360 0.590 671 3HB ALA 88 3HB ALA 88 6.642 9.629 0.100 672 H LEU 89 H LEU 89 8.527 10.253 2.016 673 HA LEU 89 HA LEU 89 9.622 7.714 2.587 674 1HB LEU 89 2HB LEU 89 10.816 10.480 2.710 675 2HB LEU 89 1HB LEU 89 11.747 9.018 2.977 676 HG LEU 89 HG LEU 89 10.280 9.702 0.425 677 1HD1 LEU 89 1HD1 LEU 89 13.230 9.741 1.047 678 2HD1 LEU 89 2HD1 LEU 89 12.206 11.157 0.809 679 3HD1 LEU 89 3HD1 LEU 89 12.493 10.041 -0.527 680 1HD2 LEU 89 1HD2 LEU 89 11.459 7.784 -0.510 681 2HD2 LEU 89 2HD2 LEU 89 10.425 7.297 0.832 682 3HD2 LEU 89 3HD2 LEU 89 12.167 7.439 1.067 683 H SER 90 H SER 90 8.790 10.476 4.616 684 HA SER 90 HA SER 90 9.882 9.255 6.981 685 1HB SER 90 2HB SER 90 8.454 11.098 8.114 686 2HB SER 90 1HB SER 90 9.824 11.591 7.120 687 HG SER 90 HG SER 90 7.110 11.955 6.722 688 H MET 91 H MET 91 6.747 9.484 5.425 689 HA MET 91 HA MET 91 5.159 8.240 7.362 690 1HB MET 91 2HB MET 91 4.109 9.299 5.507 691 2HB MET 91 1HB MET 91 5.003 8.323 4.352 692 1HG MET 91 2HG MET 91 3.774 6.329 5.151 693 2HG MET 91 1HG MET 91 2.820 7.381 6.197 694 1HE MET 91 1HE MET 91 0.376 6.308 3.264 695 2HE MET 91 2HE MET 91 0.663 6.236 5.002 696 3HE MET 91 3HE MET 91 1.700 5.332 3.899 697 H SER 92 H SER 92 7.262 6.883 4.900 698 HA SER 92 HA SER 92 6.461 4.173 5.457 699 1HB SER 92 2HB SER 92 8.266 3.648 3.768 700 2HB SER 92 1HB SER 92 6.974 4.690 3.169 701 HG SER 92 HG SER 92 8.597 5.911 2.610 702 H LYS 93 H LYS 93 9.025 6.404 6.250 703 HA LYS 93 HA LYS 93 10.835 4.674 7.488 704 1HB LYS 93 2HB LYS 93 11.273 7.091 7.189 705 2HB LYS 93 1HB LYS 93 10.012 7.461 8.358 706 1HG LYS 93 2HG LYS 93 11.957 7.657 9.595 707 2HG LYS 93 1HG LYS 93 11.400 6.028 9.985 708 1HD LYS 93 2HD LYS 93 12.911 5.276 8.047 709 2HD LYS 93 1HD LYS 93 13.649 6.872 8.188 710 1HE LYS 93 2HE LYS 93 14.981 5.472 9.515 711 2HE LYS 93 1HE LYS 93 13.950 6.332 10.659 712 1HZ LYS 93 1HZ LYS 93 12.510 4.406 10.786 713 2HZ LYS 93 2HZ LYS 93 14.103 3.953 11.150 714 3HZ LYS 93 3HZ LYS 93 13.449 3.587 9.630 715 H ILE 94 H ILE 94 8.065 6.427 8.805 716 HA ILE 94 HA ILE 94 8.170 5.038 11.309 717 HB ILE 94 HB ILE 94 6.026 6.174 11.798 718 1HG1 ILE 94 2HG1 ILE 94 6.366 7.236 8.987 719 2HG1 ILE 94 1HG1 ILE 94 5.055 6.219 9.573 720 1HG2 ILE 94 1HG2 ILE 94 6.941 8.445 11.823 721 2HG2 ILE 94 2HG2 ILE 94 8.195 7.948 10.688 722 3HG2 ILE 94 3HG2 ILE 94 8.145 7.251 12.306 723 1HD1 ILE 94 1HD1 ILE 94 5.618 9.043 10.440 724 2HD1 ILE 94 2HD1 ILE 94 4.300 8.022 11.023 725 3HD1 ILE 94 3HD1 ILE 94 4.348 8.521 9.332 726 H PHE 95 H PHE 95 6.619 4.503 8.220 727 HA PHE 95 HA PHE 95 4.687 2.644 9.195 728 1HB PHE 95 2HB PHE 95 4.717 3.744 6.888 729 2HB PHE 95 1HB PHE 95 5.936 2.553 6.449 730 HD1 PHE 95 1HD PHE 95 2.488 2.885 7.762 731 HD2 PHE 95 2HD PHE 95 5.294 0.433 5.708 732 HE1 PHE 95 1HE PHE 95 0.704 1.274 7.257 733 HE2 PHE 95 2HE PHE 95 3.509 -1.182 5.197 734 HZ PHE 95 HZ PHE 95 1.212 -0.763 5.973 735 H SER 96 H SER 96 8.075 2.436 8.417 736 HA SER 96 HA SER 96 8.152 -0.435 8.795 737 1HB SER 96 2HB SER 96 10.399 1.592 8.605 738 2HB SER 96 1HB SER 96 10.597 -0.160 8.585 739 HG SER 96 HG SER 96 8.959 1.194 6.704 740 H ASP 97 H ASP 97 8.449 2.446 10.664 741 HA ASP 97 HA ASP 97 9.802 1.199 12.882 742 1HB ASP 97 2HB ASP 97 8.932 3.949 12.209 743 2HB ASP 97 1HB ASP 97 9.031 3.550 13.921 744 H MET 98 H MET 98 6.542 1.541 11.923 745 HA MET 98 HA MET 98 5.215 2.013 14.292 746 1HB MET 98 2HB MET 98 3.291 0.743 13.288 747 2HB MET 98 1HB MET 98 3.942 2.051 12.317 748 1HG MET 98 2HG MET 98 3.493 0.285 10.842 749 2HG MET 98 1HG MET 98 5.241 0.318 11.044 750 1HE MET 98 1HE MET 98 5.352 -2.104 9.928 751 2HE MET 98 2HE MET 98 3.595 -2.085 9.761 752 3HE MET 98 3HE MET 98 4.398 -3.475 10.492 753 H MET 99 H MET 99 6.982 -0.817 13.510 754 HA MET 99 HA MET 99 5.596 -2.579 15.280 755 1HB MET 99 2HB MET 99 7.026 -3.322 13.351 756 2HB MET 99 1HB MET 99 8.435 -2.818 14.271 757 1HG MET 99 2HG MET 99 6.485 -4.840 15.325 758 2HG MET 99 1HG MET 99 7.838 -5.285 14.290 759 1HE MET 99 1HE MET 99 8.684 -6.976 16.168 760 2HE MET 99 2HE MET 99 7.330 -6.509 17.195 761 3HE MET 99 3HE MET 99 8.969 -6.506 17.844 762 H GLN 100 H GLN 100 8.781 -0.944 15.519 763 HA GLN 100 HA GLN 100 8.719 -1.459 18.413 764 1HB GLN 100 2HB GLN 100 10.649 -2.367 17.180 765 2HB GLN 100 1HB GLN 100 11.058 -0.747 16.634 766 1HG GLN 100 2HG GLN 100 11.485 -0.055 18.916 767 2HG GLN 100 1HG GLN 100 11.009 -1.647 19.503 768 1HE2 GLN 100 1HE2 GLN 100 12.832 -1.158 16.580 769 2HE2 GLN 100 2HE2 GLN 100 14.310 -1.861 17.152 770 H GLY 101 H GLY 101 9.437 1.092 16.044 771 1HA GLY 101 2HA GLY 101 9.693 3.184 17.959 772 2HA GLY 101 1HA GLY 101 9.374 3.386 16.239 773 H LYS 102 H LYS 102 7.008 1.925 16.055 774 HA LYS 102 HA LYS 102 4.792 1.812 16.502 775 1HB LYS 102 2HB LYS 102 5.795 1.691 18.936 776 2HB LYS 102 1HB LYS 102 5.116 3.305 19.073 777 1HG LYS 102 2HG LYS 102 2.907 2.479 18.648 778 2HG LYS 102 1HG LYS 102 3.536 0.864 18.297 779 1HD LYS 102 2HD LYS 102 4.468 0.833 20.628 780 2HD LYS 102 1HD LYS 102 3.579 2.325 20.931 781 1HE LYS 102 2HE LYS 102 1.480 1.192 20.474 782 2HE LYS 102 1HE LYS 102 2.348 -0.292 20.081 783 1HZ LYS 102 1HZ LYS 102 3.216 -0.277 22.382 784 2HZ LYS 102 2HZ LYS 102 1.533 -0.451 22.303 785 3HZ LYS 102 3HZ LYS 102 2.209 1.041 22.730 786 H GLU 103 H GLU 103 6.123 4.060 15.203 787 HA GLU 103 HA GLU 103 4.259 6.246 15.786 788 1HB GLU 103 2HB GLU 103 6.769 6.260 14.098 789 2HB GLU 103 1HB GLU 103 5.742 7.651 14.415 790 1HG GLU 103 2HG GLU 103 6.235 7.168 16.895 791 2HG GLU 103 1HG GLU 103 7.571 6.197 16.276 792 H TYR 104 H TYR 104 3.125 7.251 14.111 793 HA TYR 104 HA TYR 104 3.013 6.034 11.507 794 1HB TYR 104 2HB TYR 104 0.333 6.649 12.326 795 2HB TYR 104 1HB TYR 104 0.974 5.093 11.806 796 HD1 TYR 104 1HD TYR 104 0.292 7.229 14.726 797 HD2 TYR 104 2HD TYR 104 1.478 3.368 13.398 798 HE1 TYR 104 1HE TYR 104 -0.010 6.371 16.999 799 HE2 TYR 104 2HE TYR 104 1.170 2.495 15.663 800 HH TYR 104 HH TYR 104 1.178 3.367 17.993 801 H ASP 105 H ASP 105 1.582 7.582 10.176 802 HA ASP 105 HA ASP 105 2.868 10.118 10.560 803 1HB ASP 105 2HB ASP 105 2.579 9.033 8.313 804 2HB ASP 105 1HB ASP 105 0.859 9.385 8.419 805 H ASP 106 H ASP 106 1.864 10.572 12.573 806 HA ASP 106 HA ASP 106 0.620 12.044 13.782 807 1HB ASP 106 2HB ASP 106 0.436 13.332 11.550 808 2HB ASP 106 1HB ASP 106 -1.150 12.582 11.397 809 H SER 107 H SER 107 0.215 9.269 13.341 810 HA SER 107 HA SER 107 -1.128 7.556 13.904 811 1HB SER 107 2HB SER 107 -1.593 9.095 15.882 812 2HB SER 107 1HB SER 107 -3.067 9.578 15.046 813 HG SER 107 HG SER 107 -2.929 7.628 16.655 814 H ILE 108 H ILE 108 -1.267 8.382 11.305 815 HA ILE 108 HA ILE 108 -4.143 8.133 10.687 816 HB ILE 108 HB ILE 108 -1.834 9.194 9.105 817 1HG1 ILE 108 2HG1 ILE 108 -3.562 10.871 8.446 818 2HG1 ILE 108 1HG1 ILE 108 -4.727 10.019 9.451 819 1HG2 ILE 108 1HG2 ILE 108 -2.644 7.456 7.639 820 2HG2 ILE 108 2HG2 ILE 108 -3.137 9.032 7.015 821 3HG2 ILE 108 3HG2 ILE 108 -4.305 8.007 7.850 822 1HD1 ILE 108 1HD1 ILE 108 -3.415 10.519 11.425 823 2HD1 ILE 108 2HD1 ILE 108 -3.830 11.996 10.553 824 3HD1 ILE 108 3HD1 ILE 108 -2.203 11.327 10.429 825 H ASP 109 H ASP 109 -0.994 6.686 9.918 826 HA ASP 109 HA ASP 109 -2.024 4.507 8.431 827 1HB ASP 109 2HB ASP 109 0.571 4.471 9.971 828 2HB ASP 109 1HB ASP 109 0.188 3.650 8.460 829 H LEU 110 H LEU 110 -3.566 3.352 9.432 830 HA LEU 110 HA LEU 110 -2.856 1.827 11.804 831 1HB LEU 110 2HB LEU 110 -5.258 3.666 11.744 832 2HB LEU 110 1HB LEU 110 -4.962 2.452 12.972 833 HG LEU 110 HG LEU 110 -3.135 4.802 12.450 834 1HD1 LEU 110 1HD1 LEU 110 -5.235 4.427 14.580 835 2HD1 LEU 110 2HD1 LEU 110 -5.309 5.569 13.237 836 3HD1 LEU 110 3HD1 LEU 110 -4.081 5.758 14.490 837 1HD2 LEU 110 1HD2 LEU 110 -2.031 2.876 13.478 838 2HD2 LEU 110 2HD2 LEU 110 -3.270 2.830 14.733 839 3HD2 LEU 110 3HD2 LEU 110 -2.179 4.211 14.621 840 H GLY 111 H GLY 111 -5.595 2.690 9.691 841 1HA GLY 111 2HA GLY 111 -6.844 0.131 9.892 842 2HA GLY 111 1HA GLY 111 -7.248 1.391 8.738 843 H ASP 112 H ASP 112 -4.596 1.593 7.675 844 HA ASP 112 HA ASP 112 -4.580 -0.354 5.652 845 1HB ASP 112 2HB ASP 112 -2.145 0.530 5.412 846 2HB ASP 112 1HB ASP 112 -3.476 1.662 5.166 847 H ILE 113 H ILE 113 -2.612 -0.013 8.594 848 HA ILE 113 HA ILE 113 -1.114 -2.350 8.387 849 HB ILE 113 HB ILE 113 -2.172 -1.070 10.918 850 1HG1 ILE 113 2HG1 ILE 113 0.456 -0.642 9.479 851 2HG1 ILE 113 1HG1 ILE 113 -0.899 0.483 9.465 852 1HG2 ILE 113 1HG2 ILE 113 -1.359 -3.320 11.327 853 2HG2 ILE 113 2HG2 ILE 113 -0.245 -2.134 12.012 854 3HG2 ILE 113 3HG2 ILE 113 0.151 -2.947 10.496 855 1HD1 ILE 113 1HD1 ILE 113 0.828 1.179 11.033 856 2HD1 ILE 113 2HD1 ILE 113 0.667 -0.350 11.897 857 3HD1 ILE 113 3HD1 ILE 113 -0.675 0.793 11.870 858 H GLU 114 H GLU 114 -4.375 -1.812 9.595 859 HA GLU 114 HA GLU 114 -4.840 -4.345 10.706 860 1HB GLU 114 2HB GLU 114 -6.738 -2.345 9.479 861 2HB GLU 114 1HB GLU 114 -7.271 -3.806 10.296 862 1HG GLU 114 2HG GLU 114 -5.641 -1.610 11.550 863 2HG GLU 114 1HG GLU 114 -7.382 -1.823 11.727 864 H ALA 115 H ALA 115 -5.083 -3.181 7.394 865 HA ALA 115 HA ALA 115 -6.466 -5.457 6.381 866 1HB ALA 115 1HB ALA 115 -4.803 -3.396 4.937 867 2HB ALA 115 2HB ALA 115 -6.541 -3.316 5.231 868 3HB ALA 115 3HB ALA 115 -5.882 -4.564 4.173 869 H LEU 116 H LEU 116 -3.103 -4.673 6.900 870 HA LEU 116 HA LEU 116 -2.203 -6.946 5.318 871 1HB LEU 116 2HB LEU 116 -0.719 -4.799 6.824 872 2HB LEU 116 1HB LEU 116 0.082 -6.133 6.017 873 HG LEU 116 HG LEU 116 -1.657 -4.088 4.632 874 1HD1 LEU 116 1HD1 LEU 116 0.368 -3.058 5.486 875 2HD1 LEU 116 2HD1 LEU 116 0.464 -3.229 3.733 876 3HD1 LEU 116 3HD1 LEU 116 1.345 -4.345 4.778 877 1HD2 LEU 116 1HD2 LEU 116 -0.712 -5.039 2.585 878 2HD2 LEU 116 2HD2 LEU 116 -1.611 -6.250 3.498 879 3HD2 LEU 116 3HD2 LEU 116 0.152 -6.244 3.540 880 H GLN 117 H GLN 117 -2.966 -6.243 8.570 881 HA GLN 117 HA GLN 117 -0.985 -7.461 10.039 882 1HB GLN 117 2HB GLN 117 -2.405 -7.362 11.876 883 2HB GLN 117 1HB GLN 117 -3.049 -6.121 10.814 884 1HG GLN 117 2HG GLN 117 -4.750 -7.753 10.035 885 2HG GLN 117 1HG GLN 117 -4.151 -8.885 11.249 886 1HE2 GLN 117 1HE2 GLN 117 -5.989 -6.056 10.644 887 2HE2 GLN 117 2HE2 GLN 117 -6.588 -5.820 12.256 888 H GLY 118 H GLY 118 -3.659 -9.043 8.390 889 1HA GLY 118 2HA GLY 118 -3.380 -11.531 9.762 890 2HA GLY 118 1HA GLY 118 -4.305 -11.252 8.297 891 H VAL 119 H VAL 119 -2.195 -10.303 6.667 892 HA VAL 119 HA VAL 119 -1.105 -12.903 5.983 893 HB VAL 119 HB VAL 119 -0.375 -11.818 3.882 894 1HG1 VAL 119 1HG1 VAL 119 -2.555 -12.891 4.045 895 2HG1 VAL 119 2HG1 VAL 119 -2.620 -11.493 2.970 896 3HG1 VAL 119 3HG1 VAL 119 -3.268 -11.379 4.607 897 1HG2 VAL 119 1HG2 VAL 119 -1.183 -9.548 3.370 898 2HG2 VAL 119 2HG2 VAL 119 -0.000 -9.556 4.678 899 3HG2 VAL 119 3HG2 VAL 119 -1.716 -9.375 5.043 900 H SER 120 H SER 120 -0.052 -10.163 7.628 901 HA SER 120 HA SER 120 2.451 -9.610 6.647 902 1HB SER 120 2HB SER 120 1.372 -9.338 9.441 903 2HB SER 120 1HB SER 120 2.927 -8.680 8.937 904 HG SER 120 HG SER 120 0.478 -8.087 7.632 905 H LYS 121 H LYS 121 1.755 -12.619 8.225 906 HA LYS 121 HA LYS 121 4.539 -13.039 8.735 907 1HB LYS 121 2HB LYS 121 4.489 -13.195 11.149 908 2HB LYS 121 1HB LYS 121 4.009 -11.591 10.625 909 1HG LYS 121 2HG LYS 121 2.409 -11.894 12.176 910 2HG LYS 121 1HG LYS 121 1.592 -12.706 10.842 911 1HD LYS 121 2HD LYS 121 1.417 -14.122 12.753 912 2HD LYS 121 1HD LYS 121 2.584 -14.860 11.658 913 1HE LYS 121 2HE LYS 121 3.385 -13.110 13.973 914 2HE LYS 121 1HE LYS 121 3.186 -14.852 14.120 915 1HZ LYS 121 1HZ LYS 121 5.089 -13.487 12.284 916 2HZ LYS 121 2HZ LYS 121 4.910 -15.165 12.458 917 3HZ LYS 121 3HZ LYS 121 5.499 -14.234 13.749 918 H PHE 122 H PHE 122 1.631 -14.337 8.006 919 HA PHE 122 HA PHE 122 2.194 -16.920 9.191 920 1HB PHE 122 2HB PHE 122 0.091 -16.024 7.205 921 2HB PHE 122 1HB PHE 122 0.280 -17.692 7.731 922 HD1 PHE 122 1HD PHE 122 0.946 -17.114 10.626 923 HD2 PHE 122 2HD PHE 122 -2.068 -15.600 8.035 924 HE1 PHE 122 1HE PHE 122 -0.497 -16.680 12.565 925 HE2 PHE 122 2HE PHE 122 -3.517 -15.161 9.968 926 HZ PHE 122 HZ PHE 122 -2.734 -15.699 12.240 927 HA PRO 123 HA PRO 123 5.148 -18.056 6.109 928 1HB PRO 123 2HB PRO 123 4.601 -20.793 6.145 929 2HB PRO 123 1HB PRO 123 5.736 -19.954 7.206 930 1HG PRO 123 2HG PRO 123 2.922 -20.796 7.722 931 2HG PRO 123 1HG PRO 123 4.315 -20.790 8.820 932 1HD PRO 123 2HD PRO 123 2.411 -18.915 8.979 933 2HD PRO 123 1HD PRO 123 4.119 -18.519 9.255 934 H ALA 124 H ALA 124 1.787 -18.671 5.892 935 HA ALA 124 HA ALA 124 1.990 -19.478 3.089 936 1HB ALA 124 1HB ALA 124 -0.322 -20.200 3.289 937 2HB ALA 124 2HB ALA 124 -0.385 -19.578 4.939 938 3HB ALA 124 3HB ALA 124 0.675 -20.932 4.547 939 H ARG 125 H ARG 125 1.428 -16.631 4.932 940 HA ARG 125 HA ARG 125 -0.122 -15.517 2.672 941 1HB ARG 125 2HB ARG 125 -0.377 -14.826 5.607 942 2HB ARG 125 1HB ARG 125 -1.233 -14.030 4.294 943 1HG ARG 125 2HG ARG 125 -2.391 -16.104 3.771 944 2HG ARG 125 1HG ARG 125 -1.516 -16.926 5.066 945 1HD ARG 125 2HD ARG 125 -2.512 -15.430 6.706 946 2HD ARG 125 1HD ARG 125 -3.361 -14.567 5.425 947 HE ARG 125 HE ARG 125 -3.956 -17.372 5.454 948 1HH1 ARG 125 1HH1 ARG 125 -4.723 -14.310 6.957 949 2HH1 ARG 125 2HH1 ARG 125 -6.349 -14.761 7.372 950 1HH2 ARG 125 1HH2 ARG 125 -6.092 -17.987 5.994 951 2HH2 ARG 125 2HH2 ARG 125 -7.112 -16.874 6.859 952 H ILE 126 H ILE 126 2.791 -15.593 3.924 953 HA ILE 126 HA ILE 126 3.228 -12.829 4.634 954 HB ILE 126 HB ILE 126 4.364 -14.643 5.875 955 1HG1 ILE 126 2HG1 ILE 126 6.303 -12.858 4.386 956 2HG1 ILE 126 1HG1 ILE 126 5.343 -12.368 5.779 957 1HG2 ILE 126 1HG2 ILE 126 6.255 -15.836 4.851 958 2HG2 ILE 126 2HG2 ILE 126 5.845 -15.121 3.291 959 3HG2 ILE 126 3HG2 ILE 126 4.718 -16.226 4.078 960 1HD1 ILE 126 1HD1 ILE 126 7.612 -12.883 6.433 961 2HD1 ILE 126 2HD1 ILE 126 7.466 -14.499 5.746 962 3HD1 ILE 126 3HD1 ILE 126 6.491 -14.043 7.144 963 H LYS 127 H LYS 127 3.582 -14.906 1.935 964 HA LYS 127 HA LYS 127 5.342 -13.181 0.466 965 1HB LYS 127 2HB LYS 127 3.572 -15.437 -0.509 966 2HB LYS 127 1HB LYS 127 4.834 -14.648 -1.448 967 1HG LYS 127 2HG LYS 127 5.224 -16.266 1.065 968 2HG LYS 127 1HG LYS 127 5.624 -16.765 -0.580 969 1HD LYS 127 2HD LYS 127 7.303 -15.055 -0.750 970 2HD LYS 127 1HD LYS 127 6.822 -14.367 0.802 971 1HE LYS 127 2HE LYS 127 7.536 -16.403 1.937 972 2HE LYS 127 1HE LYS 127 7.979 -17.121 0.388 973 1HZ LYS 127 1HZ LYS 127 9.617 -15.371 0.087 974 2HZ LYS 127 2HZ LYS 127 9.915 -16.236 1.513 975 3HZ LYS 127 3HZ LYS 127 9.205 -14.694 1.588 976 H CYS 128 H CYS 128 1.982 -13.322 1.125 977 HA CYS 128 HA CYS 128 1.288 -11.461 -0.992 978 1HB CYS 128 2HB CYS 128 -0.306 -12.628 1.295 979 2HB CYS 128 1HB CYS 128 -0.952 -11.412 0.196 980 HG CYS 128 HG CYS 128 0.119 -14.541 -0.719 981 H ALA 129 H ALA 129 2.272 -11.453 2.322 982 HA ALA 129 HA ALA 129 1.556 -8.752 2.908 983 1HB ALA 129 1HB ALA 129 3.691 -10.485 4.160 984 2HB ALA 129 2HB ALA 129 2.007 -10.393 4.676 985 3HB ALA 129 3HB ALA 129 3.052 -8.980 4.821 986 H THR 130 H THR 130 4.578 -10.363 1.951 987 HA THR 130 HA THR 130 6.127 -8.049 1.587 988 HB THR 130 HB THR 130 6.330 -10.622 0.001 989 HG1 THR 130 1HG THR 130 6.982 -9.964 2.651 990 1HG2 THR 130 1HG2 THR 130 7.712 -8.810 -0.886 991 2HG2 THR 130 2HG2 THR 130 8.719 -10.052 -0.139 992 3HG2 THR 130 3HG2 THR 130 8.403 -8.540 0.713 993 H LEU 131 H LEU 131 3.726 -9.602 -0.393 994 HA LEU 131 HA LEU 131 4.164 -8.328 -2.837 995 1HB LEU 131 2HB LEU 131 2.658 -10.244 -2.485 996 2HB LEU 131 1HB LEU 131 1.567 -9.220 -1.580 997 HG LEU 131 HG LEU 131 2.191 -8.547 -4.438 998 1HD1 LEU 131 1HD1 LEU 131 1.620 -10.899 -4.475 999 2HD1 LEU 131 2HD1 LEU 131 0.273 -9.945 -5.097 1000 3HD1 LEU 131 3HD1 LEU 131 0.210 -10.599 -3.461 1001 1HD2 LEU 131 1HD2 LEU 131 0.887 -6.965 -3.073 1002 2HD2 LEU 131 2HD2 LEU 131 -0.288 -8.237 -2.739 1003 3HD2 LEU 131 3HD2 LEU 131 -0.070 -7.649 -4.387 1004 H SER 132 H SER 132 1.693 -7.461 -0.397 1005 HA SER 132 HA SER 132 1.042 -5.076 -1.802 1006 1HB SER 132 2HB SER 132 -0.513 -6.475 -0.342 1007 2HB SER 132 1HB SER 132 0.264 -5.714 1.045 1008 HG SER 132 HG SER 132 -1.057 -4.123 0.739 1009 H TRP 133 H TRP 133 2.932 -5.747 1.125 1010 HA TRP 133 HA TRP 133 3.168 -3.026 1.895 1011 1HB TRP 133 2HB TRP 133 3.457 -4.794 3.532 1012 2HB TRP 133 1HB TRP 133 4.827 -5.444 2.641 1013 HD1 TRP 133 HD TRP 133 4.427 -1.690 3.383 1014 HE1 TRP 133 1HE TRP 133 6.373 -0.946 4.895 1015 HE3 TRP 133 3HE TRP 133 6.504 -6.268 4.333 1016 HZ2 TRP 133 2HZ TRP 133 8.488 -2.145 6.319 1017 HZ3 TRP 133 3HZ TRP 133 8.486 -6.380 5.788 1018 HH2 TRP 133 HH TRP 133 9.459 -4.357 6.760 1019 H LYS 134 H LYS 134 5.477 -5.248 0.311 1020 HA LYS 134 HA LYS 134 7.465 -3.223 0.114 1021 1HB LYS 134 2HB LYS 134 8.008 -5.640 0.193 1022 2HB LYS 134 1HB LYS 134 7.311 -5.828 -1.412 1023 1HG LYS 134 2HG LYS 134 8.992 -4.374 -2.356 1024 2HG LYS 134 1HG LYS 134 9.654 -4.053 -0.752 1025 1HD LYS 134 2HD LYS 134 10.215 -6.439 -0.529 1026 2HD LYS 134 1HD LYS 134 9.593 -6.723 -2.157 1027 1HE LYS 134 2HE LYS 134 11.271 -5.219 -3.077 1028 2HE LYS 134 1HE LYS 134 11.868 -4.867 -1.457 1029 1HZ LYS 134 1HZ LYS 134 11.936 -7.524 -2.788 1030 2HZ LYS 134 2HZ LYS 134 12.501 -7.191 -1.226 1031 3HZ LYS 134 3HZ LYS 134 13.261 -6.486 -2.568 1032 H ALA 135 H ALA 135 4.812 -4.182 -1.927 1033 HA ALA 135 HA ALA 135 5.730 -3.033 -4.341 1034 1HB ALA 135 1HB ALA 135 2.875 -3.317 -3.414 1035 2HB ALA 135 2HB ALA 135 3.808 -4.569 -4.235 1036 3HB ALA 135 3HB ALA 135 3.422 -3.063 -5.071 1037 H LEU 136 H LEU 136 4.018 -1.697 -1.558 1038 HA LEU 136 HA LEU 136 3.587 0.852 -2.817 1039 1HB LEU 136 2HB LEU 136 2.424 -0.372 -0.711 1040 2HB LEU 136 1HB LEU 136 3.571 0.643 0.142 1041 HG LEU 136 HG LEU 136 2.570 2.557 -1.322 1042 1HD1 LEU 136 1HD1 LEU 136 0.181 2.199 -1.827 1043 2HD1 LEU 136 2HD1 LEU 136 0.377 0.491 -1.433 1044 3HD1 LEU 136 3HD1 LEU 136 1.247 1.185 -2.800 1045 1HD2 LEU 136 1HD2 LEU 136 0.864 2.979 0.369 1046 2HD2 LEU 136 2HD2 LEU 136 2.368 2.423 1.103 1047 3HD2 LEU 136 3HD2 LEU 136 1.005 1.315 0.936 1048 H GLU 137 H GLU 137 5.808 -0.494 -0.426 1049 HA GLU 137 HA GLU 137 7.286 1.862 0.073 1050 1HB GLU 137 2HB GLU 137 8.174 -1.021 0.324 1051 2HB GLU 137 1HB GLU 137 8.948 0.365 1.079 1052 1HG GLU 137 2HG GLU 137 6.104 -0.424 1.630 1053 2HG GLU 137 1HG GLU 137 7.470 -1.038 2.554 1054 H LYS 138 H LYS 138 7.271 -0.341 -2.561 1055 HA LYS 138 HA LYS 138 9.971 0.300 -3.421 1056 1HB LYS 138 2HB LYS 138 8.917 -1.947 -3.793 1057 2HB LYS 138 1HB LYS 138 7.818 -1.190 -4.934 1058 1HG LYS 138 2HG LYS 138 9.639 -0.621 -6.394 1059 2HG LYS 138 1HG LYS 138 10.815 -1.210 -5.216 1060 1HD LYS 138 2HD LYS 138 9.837 -3.469 -5.416 1061 2HD LYS 138 1HD LYS 138 8.732 -2.859 -6.650 1062 1HE LYS 138 2HE LYS 138 11.742 -2.830 -6.833 1063 2HE LYS 138 1HE LYS 138 10.688 -4.009 -7.610 1064 1HZ LYS 138 1HZ LYS 138 11.321 -2.296 -9.164 1065 2HZ LYS 138 2HZ LYS 138 10.730 -1.084 -8.140 1066 3HZ LYS 138 3HZ LYS 138 9.660 -2.191 -8.852 1067 H GLY 139 H GLY 139 6.898 1.683 -3.694 1068 1HA GLY 139 2HA GLY 139 7.075 2.776 -6.311 1069 2HA GLY 139 1HA GLY 139 6.013 3.333 -5.026 1070 H VAL 140 H VAL 140 7.247 4.527 -3.219 1071 HA VAL 140 HA VAL 140 8.883 6.549 -4.581 1072 HB VAL 140 HB VAL 140 8.255 8.062 -2.743 1073 1HG1 VAL 140 1HG1 VAL 140 5.905 8.335 -3.344 1074 2HG1 VAL 140 2HG1 VAL 140 5.901 6.726 -4.065 1075 3HG1 VAL 140 3HG1 VAL 140 6.900 8.000 -4.762 1076 1HG2 VAL 140 1HG2 VAL 140 6.497 7.398 -1.156 1077 2HG2 VAL 140 2HG2 VAL 140 7.966 6.441 -0.959 1078 3HG2 VAL 140 3HG2 VAL 140 6.567 5.750 -1.785 1079 H ALA 141 H ALA 141 9.466 3.894 -2.959 1080 HA ALA 141 HA ALA 141 11.142 3.044 -1.697 1081 1HB ALA 141 1HB ALA 141 12.669 4.568 -2.887 1082 2HB ALA 141 2HB ALA 141 13.147 4.314 -1.209 1083 3HB ALA 141 3HB ALA 141 12.348 5.814 -1.679 1084 H LYS 142 H LYS 142 11.981 3.112 0.588 1085 HA LYS 142 HA LYS 142 10.060 4.606 2.243 1086 1HB LYS 142 2HB LYS 142 9.752 2.760 3.673 1087 2HB LYS 142 1HB LYS 142 9.625 2.123 2.044 1088 1HG LYS 142 2HG LYS 142 12.026 1.399 2.261 1089 2HG LYS 142 1HG LYS 142 11.909 1.824 3.972 1090 1HD LYS 142 2HD LYS 142 9.828 0.326 3.996 1091 2HD LYS 142 1HD LYS 142 10.418 -0.293 2.455 1092 1HE LYS 142 2HE LYS 142 11.206 -1.759 4.143 1093 2HE LYS 142 1HE LYS 142 12.586 -0.805 3.602 1094 1HZ LYS 142 1HZ LYS 142 12.289 -1.107 6.087 1095 2HZ LYS 142 2HZ LYS 142 10.985 -0.030 5.967 1096 3HZ LYS 142 3HZ LYS 142 12.548 0.479 5.543 1097 H GLU 143 H GLU 143 10.715 5.387 4.207 1098 HA GLU 143 HA GLU 143 12.089 6.203 5.820 1099 1HB GLU 143 2HB GLU 143 13.987 4.017 4.931 1100 2HB GLU 143 1HB GLU 143 14.113 4.948 6.417 1101 1HG GLU 143 2HG GLU 143 11.952 4.032 7.150 1102 2HG GLU 143 1HG GLU 143 11.889 3.058 5.682 1103 H GLU 144 H GLU 144 14.862 6.570 5.905 1104 HA GLU 144 HA GLU 144 15.305 8.579 3.935 1105 1HB GLU 144 2HB GLU 144 16.996 7.344 6.083 1106 2HB GLU 144 1HB GLU 144 17.741 8.365 4.863 1107 1HG GLU 144 2HG GLU 144 17.260 9.647 6.845 1108 2HG GLU 144 1HG GLU 144 16.267 10.205 5.504 1109 H GLY 145 H GLY 145 15.044 7.540 1.966 1110 1HA GLY 145 2HA GLY 145 16.736 5.279 1.305 1111 2HA GLY 145 1HA GLY 145 15.515 6.010 0.275 1112 H GLY 146 H GLY 146 18.646 5.396 0.375 1113 1HA GLY 146 2HA GLY 146 19.693 7.937 -0.494 1114 2HA GLY 146 1HA GLY 146 20.551 6.403 -0.476 1115 H ASN 147 H ASN 147 20.963 7.988 -2.580 1116 HA ASN 147 HA ASN 147 19.820 6.491 -4.773 1117 1HB ASN 147 2HB ASN 147 18.901 8.385 -5.954 1118 2HB ASN 147 1HB ASN 147 18.163 8.305 -4.360 1119 1HD2 ASN 147 1HD2 ASN 147 18.370 10.538 -6.162 1120 2HD2 ASN 147 2HD2 ASN 147 19.222 11.784 -5.308 Start of MODEL 5 1 1H MET 1 1HT MET 1 -2.135 -13.512 25.252 2 2H MET 1 2HT MET 1 -2.585 -12.749 23.805 3 3H MET 1 3HT MET 1 -1.415 -13.969 23.789 4 HA MET 1 HA MET 1 -2.997 -15.622 24.370 5 1HB MET 1 2HB MET 1 -4.903 -13.283 24.533 6 2HB MET 1 1HB MET 1 -5.421 -14.961 24.498 7 1HG MET 1 2HG MET 1 -4.230 -15.386 26.573 8 2HG MET 1 1HG MET 1 -3.667 -13.715 26.599 9 1HE MET 1 1HE MET 1 -5.297 -15.252 28.991 10 2HE MET 1 2HE MET 1 -6.281 -13.890 29.529 11 3HE MET 1 3HE MET 1 -4.591 -13.639 29.091 12 H SER 2 H SER 2 -2.659 -16.500 22.424 13 HA SER 2 HA SER 2 -3.449 -15.138 20.001 14 1HB SER 2 2HB SER 2 -2.404 -17.955 20.370 15 2HB SER 2 1HB SER 2 -2.497 -17.060 18.852 16 HG SER 2 HG SER 2 -0.759 -15.966 19.371 17 H PHE 3 H PHE 3 -5.677 -14.942 20.416 18 HA PHE 3 HA PHE 3 -7.213 -17.258 19.558 19 1HB PHE 3 2HB PHE 3 -7.237 -17.421 22.019 20 2HB PHE 3 1HB PHE 3 -7.839 -15.772 22.125 21 HD1 PHE 3 1HD PHE 3 -8.671 -19.216 21.155 22 HD2 PHE 3 2HD PHE 3 -10.145 -15.271 21.770 23 HE1 PHE 3 1HE PHE 3 -10.977 -20.068 21.064 24 HE2 PHE 3 2HE PHE 3 -12.455 -16.117 21.682 25 HZ PHE 3 HZ PHE 3 -12.874 -18.520 21.330 26 H ASN 4 H ASN 4 -7.010 -13.859 20.355 27 HA ASN 4 HA ASN 4 -9.462 -12.993 19.313 28 1HB ASN 4 2HB ASN 4 -6.817 -11.547 19.567 29 2HB ASN 4 1HB ASN 4 -8.327 -10.762 19.125 30 1HD2 ASN 4 1HD2 ASN 4 -8.292 -9.430 20.905 31 2HD2 ASN 4 2HD2 ASN 4 -8.603 -10.003 22.508 32 H ALA 5 H ALA 5 -10.022 -13.693 17.328 33 HA ALA 5 HA ALA 5 -8.285 -12.877 15.093 34 1HB ALA 5 1HB ALA 5 -9.090 -14.773 13.816 35 2HB ALA 5 2HB ALA 5 -10.148 -15.254 15.143 36 3HB ALA 5 3HB ALA 5 -8.396 -15.335 15.336 37 H ASN 6 H ASN 6 -9.269 -11.792 13.412 38 HA ASN 6 HA ASN 6 -12.124 -11.533 13.255 39 1HB ASN 6 2HB ASN 6 -11.423 -9.969 15.152 40 2HB ASN 6 1HB ASN 6 -10.601 -9.009 13.927 41 1HD2 ASN 6 1HD2 ASN 6 -13.630 -9.940 15.282 42 2HD2 ASN 6 2HD2 ASN 6 -14.615 -8.826 14.391 43 H LEU 7 H LEU 7 -10.766 -8.653 12.303 44 HA LEU 7 HA LEU 7 -9.951 -7.729 10.401 45 1HB LEU 7 2HB LEU 7 -8.262 -9.541 10.427 46 2HB LEU 7 1HB LEU 7 -9.361 -10.558 9.517 47 HG LEU 7 HG LEU 7 -9.244 -9.007 7.620 48 1HD1 LEU 7 1HD1 LEU 7 -8.845 -6.939 8.841 49 2HD1 LEU 7 2HD1 LEU 7 -7.604 -7.196 7.614 50 3HD1 LEU 7 3HD1 LEU 7 -7.244 -7.514 9.311 51 1HD2 LEU 7 1HD2 LEU 7 -7.694 -10.864 7.691 52 2HD2 LEU 7 2HD2 LEU 7 -6.566 -9.917 8.662 53 3HD2 LEU 7 3HD2 LEU 7 -6.904 -9.446 6.996 54 H ASP 8 H ASP 8 -12.352 -10.058 10.508 55 HA ASP 8 HA ASP 8 -13.257 -10.018 7.807 56 1HB ASP 8 2HB ASP 8 -13.691 -11.867 9.402 57 2HB ASP 8 1HB ASP 8 -14.736 -10.798 10.329 58 H THR 9 H THR 9 -14.260 -8.400 10.775 59 HA THR 9 HA THR 9 -16.395 -6.942 9.619 60 HB THR 9 HB THR 9 -14.816 -6.193 12.082 61 HG1 THR 9 1HG THR 9 -16.232 -7.630 13.183 62 1HG2 THR 9 1HG2 THR 9 -16.480 -4.542 11.326 63 2HG2 THR 9 2HG2 THR 9 -16.956 -5.287 12.853 64 3HG2 THR 9 3HG2 THR 9 -17.722 -5.793 11.348 65 H LEU 10 H LEU 10 -12.958 -6.449 9.824 66 HA LEU 10 HA LEU 10 -12.962 -3.677 9.162 67 1HB LEU 10 2HB LEU 10 -10.801 -5.763 8.866 68 2HB LEU 10 1HB LEU 10 -10.563 -4.043 8.631 69 HG LEU 10 HG LEU 10 -11.343 -5.376 11.227 70 1HD1 LEU 10 1HD1 LEU 10 -8.767 -4.075 10.357 71 2HD1 LEU 10 2HD1 LEU 10 -9.027 -5.802 10.603 72 3HD1 LEU 10 3HD1 LEU 10 -9.117 -4.693 11.971 73 1HD2 LEU 10 1HD2 LEU 10 -12.323 -3.150 11.007 74 2HD2 LEU 10 2HD2 LEU 10 -10.736 -2.485 10.618 75 3HD2 LEU 10 3HD2 LEU 10 -11.040 -3.164 12.217 76 H TYR 11 H TYR 11 -13.030 -6.637 7.359 77 HA TYR 11 HA TYR 11 -12.400 -5.731 4.808 78 1HB TYR 11 2HB TYR 11 -14.235 -7.950 5.719 79 2HB TYR 11 1HB TYR 11 -13.931 -7.613 4.022 80 HD1 TYR 11 1HD TYR 11 -13.289 -10.023 6.093 81 HD2 TYR 11 2HD TYR 11 -11.024 -7.059 4.048 82 HE1 TYR 11 1HE TYR 11 -11.321 -11.491 6.155 83 HE2 TYR 11 2HE TYR 11 -9.048 -8.520 4.109 84 HH TYR 11 HH TYR 11 -9.219 -11.797 4.829 85 H ARG 12 H ARG 12 -15.544 -6.011 6.456 86 HA ARG 12 HA ARG 12 -17.085 -4.955 4.362 87 1HB ARG 12 2HB ARG 12 -17.500 -5.232 7.303 88 2HB ARG 12 1HB ARG 12 -18.600 -4.195 6.402 89 1HG ARG 12 2HG ARG 12 -19.505 -6.431 6.605 90 2HG ARG 12 1HG ARG 12 -19.140 -6.062 4.918 91 1HD ARG 12 2HD ARG 12 -16.883 -7.206 5.390 92 2HD ARG 12 1HD ARG 12 -17.685 -7.871 6.811 93 HE ARG 12 HE ARG 12 -18.933 -8.247 4.183 94 1HH1 ARG 12 1HH1 ARG 12 -17.356 -9.563 7.010 95 2HH1 ARG 12 2HH1 ARG 12 -17.536 -11.212 6.511 96 1HH2 ARG 12 1HH2 ARG 12 -19.152 -10.432 3.495 97 2HH2 ARG 12 2HH2 ARG 12 -18.550 -11.712 4.513 98 H GLN 13 H GLN 13 -15.233 -3.384 6.865 99 HA GLN 13 HA GLN 13 -16.169 -0.752 6.325 100 1HB GLN 13 2HB GLN 13 -13.581 -1.658 7.603 101 2HB GLN 13 1HB GLN 13 -14.204 -0.014 7.616 102 1HG GLN 13 2HG GLN 13 -16.121 -0.726 8.919 103 2HG GLN 13 1HG GLN 13 -15.554 -2.395 8.863 104 1HE2 GLN 13 1HE2 GLN 13 -13.411 0.339 9.226 105 2HE2 GLN 13 2HE2 GLN 13 -12.952 0.005 10.857 106 H VAL 14 H VAL 14 -13.270 -2.610 5.345 107 HA VAL 14 HA VAL 14 -12.221 -0.343 3.897 108 HB VAL 14 HB VAL 14 -11.313 -3.224 3.818 109 1HG1 VAL 14 1HG1 VAL 14 -9.905 -0.705 2.937 110 2HG1 VAL 14 2HG1 VAL 14 -10.568 -1.943 1.870 111 3HG1 VAL 14 3HG1 VAL 14 -9.219 -2.332 2.937 112 1HG2 VAL 14 1HG2 VAL 14 -11.179 -2.284 6.062 113 2HG2 VAL 14 2HG2 VAL 14 -10.315 -0.879 5.437 114 3HG2 VAL 14 3HG2 VAL 14 -9.565 -2.474 5.375 115 H ILE 15 H ILE 15 -13.939 -3.296 2.964 116 HA ILE 15 HA ILE 15 -13.510 -2.907 0.171 117 HB ILE 15 HB ILE 15 -14.088 -5.130 1.313 118 1HG1 ILE 15 2HG1 ILE 15 -15.666 -4.343 -1.148 119 2HG1 ILE 15 1HG1 ILE 15 -13.960 -4.770 -1.144 120 1HG2 ILE 15 1HG2 ILE 15 -16.058 -4.382 2.543 121 2HG2 ILE 15 2HG2 ILE 15 -16.471 -5.693 1.436 122 3HG2 ILE 15 3HG2 ILE 15 -16.883 -4.028 1.023 123 1HD1 ILE 15 1HD1 ILE 15 -16.261 -6.572 -0.434 124 2HD1 ILE 15 2HD1 ILE 15 -14.558 -7.015 -0.324 125 3HD1 ILE 15 3HD1 ILE 15 -15.273 -6.639 -1.892 126 H MET 16 H MET 16 -15.920 -1.801 2.462 127 HA MET 16 HA MET 16 -17.852 -0.986 0.548 128 1HB MET 16 2HB MET 16 -18.334 -1.188 2.977 129 2HB MET 16 1HB MET 16 -17.306 0.207 3.276 130 1HG MET 16 2HG MET 16 -18.789 1.614 1.976 131 2HG MET 16 1HG MET 16 -19.801 0.223 1.594 132 1HE MET 16 1HE MET 16 -20.983 2.910 2.793 133 2HE MET 16 2HE MET 16 -22.092 2.268 4.006 134 3HE MET 16 3HE MET 16 -21.959 1.485 2.431 135 H ASP 17 H ASP 17 -15.058 0.586 2.014 136 HA ASP 17 HA ASP 17 -15.387 3.068 0.668 137 1HB ASP 17 2HB ASP 17 -13.940 2.733 2.689 138 2HB ASP 17 1HB ASP 17 -12.807 1.845 1.673 139 H HIS 18 H HIS 18 -13.556 0.126 -0.008 140 HA HIS 18 HA HIS 18 -12.290 0.989 -2.370 141 1HB HIS 18 2HB HIS 18 -11.749 -1.070 -0.993 142 2HB HIS 18 1HB HIS 18 -13.137 -1.847 -1.747 143 HD1 HIS 18 1HD HIS 18 -12.298 -3.422 -3.478 144 HD2 HIS 18 2HD HIS 18 -10.088 0.101 -3.357 145 HE1 HIS 18 1HE HIS 18 -10.577 -3.636 -5.292 146 HE2 HIS 18 2HE HIS 18 -9.116 -1.601 -5.046 147 H TYR 19 H TYR 19 -15.481 -0.196 -1.726 148 HA TYR 19 HA TYR 19 -16.302 -0.701 -4.403 149 1HB TYR 19 2HB TYR 19 -17.444 -1.683 -2.507 150 2HB TYR 19 1HB TYR 19 -17.822 -0.094 -1.864 151 HD1 TYR 19 1HD TYR 19 -19.906 0.817 -2.278 152 HD2 TYR 19 2HD TYR 19 -18.431 -2.210 -4.877 153 HE1 TYR 19 1HE TYR 19 -22.072 0.767 -3.436 154 HE2 TYR 19 2HE TYR 19 -20.595 -2.266 -6.044 155 HH TYR 19 HH TYR 19 -23.063 0.105 -5.451 156 H LYS 20 H LYS 20 -16.529 2.059 -2.221 157 HA LYS 20 HA LYS 20 -17.884 3.826 -3.939 158 1HB LYS 20 2HB LYS 20 -17.772 4.470 -1.685 159 2HB LYS 20 1HB LYS 20 -16.046 4.160 -1.585 160 1HG LYS 20 2HG LYS 20 -15.605 6.126 -2.960 161 2HG LYS 20 1HG LYS 20 -17.339 6.436 -3.076 162 1HD LYS 20 2HD LYS 20 -16.259 7.837 -1.371 163 2HD LYS 20 1HD LYS 20 -17.468 6.760 -0.676 164 1HE LYS 20 2HE LYS 20 -15.553 6.756 0.753 165 2HE LYS 20 1HE LYS 20 -15.638 5.198 -0.060 166 1HZ LYS 20 1HZ LYS 20 -13.916 5.913 -1.577 167 2HZ LYS 20 2HZ LYS 20 -13.384 6.088 0.021 168 3HZ LYS 20 3HZ LYS 20 -13.873 7.451 -0.864 169 H ASN 21 H ASN 21 -14.574 2.825 -3.689 170 HA ASN 21 HA ASN 21 -13.587 4.912 -5.441 171 1HB ASN 21 2HB ASN 21 -12.188 2.471 -4.307 172 2HB ASN 21 1HB ASN 21 -11.403 3.806 -5.144 173 1HD2 ASN 21 1HD2 ASN 21 -10.936 2.839 -2.462 174 2HD2 ASN 21 2HD2 ASN 21 -11.276 4.141 -1.378 175 HA PRO 22 HA PRO 22 -13.903 2.775 -9.287 176 1HB PRO 22 2HB PRO 22 -11.078 3.183 -9.969 177 2HB PRO 22 1HB PRO 22 -12.521 3.885 -10.704 178 1HG PRO 22 2HG PRO 22 -10.828 5.349 -9.213 179 2HG PRO 22 1HG PRO 22 -12.575 5.655 -9.224 180 1HD PRO 22 2HD PRO 22 -10.918 4.196 -7.195 181 2HD PRO 22 1HD PRO 22 -12.235 5.364 -6.945 182 H ARG 23 H ARG 23 -12.525 1.277 -6.897 183 HA ARG 23 HA ARG 23 -11.677 -0.773 -6.452 184 1HB ARG 23 2HB ARG 23 -12.630 -1.395 -9.252 185 2HB ARG 23 1HB ARG 23 -12.179 -2.586 -8.038 186 1HG ARG 23 2HG ARG 23 -13.999 -1.734 -6.592 187 2HG ARG 23 1HG ARG 23 -14.484 -0.655 -7.902 188 1HD ARG 23 2HD ARG 23 -14.830 -2.614 -9.353 189 2HD ARG 23 1HD ARG 23 -14.411 -3.669 -8.002 190 HE ARG 23 HE ARG 23 -16.691 -1.804 -7.851 191 1HH1 ARG 23 1HH1 ARG 23 -15.392 -5.053 -7.641 192 2HH1 ARG 23 2HH1 ARG 23 -16.849 -5.723 -6.976 193 1HH2 ARG 23 1HH2 ARG 23 -18.616 -2.699 -7.027 194 2HH2 ARG 23 2HH2 ARG 23 -18.670 -4.392 -6.615 195 H ASN 24 H ASN 24 -10.424 -2.657 -8.234 196 HA ASN 24 HA ASN 24 -7.918 -1.189 -8.621 197 1HB ASN 24 2HB ASN 24 -8.483 -4.058 -7.941 198 2HB ASN 24 1HB ASN 24 -6.946 -3.602 -8.669 199 1HD2 ASN 24 1HD2 ASN 24 -5.756 -4.140 -6.865 200 2HD2 ASN 24 2HD2 ASN 24 -5.803 -3.218 -5.407 201 H LYS 25 H LYS 25 -8.696 -0.405 -10.663 202 HA LYS 25 HA LYS 25 -7.758 -2.181 -12.772 203 1HB LYS 25 2HB LYS 25 -10.430 -0.790 -12.818 204 2HB LYS 25 1HB LYS 25 -9.603 -1.252 -14.293 205 1HG LYS 25 2HG LYS 25 -9.609 -3.615 -13.419 206 2HG LYS 25 1HG LYS 25 -10.690 -3.044 -12.143 207 1HD LYS 25 2HD LYS 25 -12.248 -2.225 -13.862 208 2HD LYS 25 1HD LYS 25 -11.182 -2.863 -15.112 209 1HE LYS 25 2HE LYS 25 -11.487 -5.125 -14.172 210 2HE LYS 25 1HE LYS 25 -12.616 -4.457 -12.992 211 1HZ LYS 25 1HZ LYS 25 -13.890 -5.332 -14.772 212 2HZ LYS 25 2HZ LYS 25 -12.939 -4.563 -15.943 213 3HZ LYS 25 3HZ LYS 25 -13.946 -3.645 -14.936 214 H GLY 26 H GLY 26 -5.908 -0.935 -12.941 215 1HA GLY 26 2HA GLY 26 -6.179 1.398 -14.562 216 2HA GLY 26 1HA GLY 26 -5.669 1.796 -12.931 217 H VAL 27 H VAL 27 -4.449 1.628 -15.806 218 HA VAL 27 HA VAL 27 -1.855 0.720 -14.802 219 HB VAL 27 HB VAL 27 -2.510 -1.094 -16.189 220 1HG1 VAL 27 1HG1 VAL 27 -4.354 -0.077 -17.386 221 2HG1 VAL 27 2HG1 VAL 27 -3.234 -0.824 -18.527 222 3HG1 VAL 27 3HG1 VAL 27 -3.234 0.928 -18.308 223 1HG2 VAL 27 1HG2 VAL 27 -0.202 -0.389 -16.499 224 2HG2 VAL 27 2HG2 VAL 27 -0.695 0.709 -17.788 225 3HG2 VAL 27 3HG2 VAL 27 -0.861 -1.033 -18.003 226 H LEU 28 H LEU 28 -0.830 2.596 -14.570 227 HA LEU 28 HA LEU 28 -0.935 4.514 -16.818 228 1HB LEU 28 2HB LEU 28 -1.584 5.046 -14.297 229 2HB LEU 28 1HB LEU 28 0.148 5.249 -14.139 230 HG LEU 28 HG LEU 28 -1.702 6.823 -15.935 231 1HD1 LEU 28 1HD1 LEU 28 -0.038 7.620 -13.555 232 2HD1 LEU 28 2HD1 LEU 28 -1.789 7.411 -13.569 233 3HD1 LEU 28 3HD1 LEU 28 -1.046 8.694 -14.525 234 1HD2 LEU 28 1HD2 LEU 28 0.442 6.477 -17.061 235 2HD2 LEU 28 2HD2 LEU 28 1.290 7.063 -15.629 236 3HD2 LEU 28 3HD2 LEU 28 0.249 8.153 -16.546 237 H ASN 29 H ASN 29 0.688 3.520 -18.054 238 HA ASN 29 HA ASN 29 3.277 3.014 -16.869 239 1HB ASN 29 2HB ASN 29 2.423 1.578 -18.693 240 2HB ASN 29 1HB ASN 29 2.446 2.963 -19.781 241 1HD2 ASN 29 1HD2 ASN 29 4.360 0.678 -18.014 242 2HD2 ASN 29 2HD2 ASN 29 5.853 0.979 -18.828 243 H ASP 30 H ASP 30 4.244 4.854 -16.205 244 HA ASP 30 HA ASP 30 4.914 6.828 -18.252 245 1HB ASP 30 2HB ASP 30 2.924 7.750 -17.199 246 2HB ASP 30 1HB ASP 30 3.627 7.519 -15.601 247 H SER 31 H SER 31 5.209 6.730 -14.718 248 HA SER 31 HA SER 31 8.130 6.755 -15.048 249 1HB SER 31 2HB SER 31 7.942 8.136 -12.793 250 2HB SER 31 1HB SER 31 7.782 8.933 -14.358 251 HG SER 31 HG SER 31 5.609 9.025 -14.116 252 H ILE 32 H ILE 32 5.716 6.396 -12.423 253 HA ILE 32 HA ILE 32 7.325 4.206 -11.355 254 HB ILE 32 HB ILE 32 4.858 5.540 -10.245 255 1HG1 ILE 32 2HG1 ILE 32 7.779 5.631 -9.475 256 2HG1 ILE 32 1HG1 ILE 32 6.813 6.956 -10.117 257 1HG2 ILE 32 1HG2 ILE 32 6.574 3.383 -9.009 258 2HG2 ILE 32 2HG2 ILE 32 4.926 3.178 -9.606 259 3HG2 ILE 32 3HG2 ILE 32 5.238 4.225 -8.221 260 1HD1 ILE 32 1HD1 ILE 32 5.436 6.907 -8.095 261 2HD1 ILE 32 2HD1 ILE 32 7.138 7.214 -7.746 262 3HD1 ILE 32 3HD1 ILE 32 6.451 5.616 -7.451 263 H VAL 33 H VAL 33 6.984 2.231 -11.943 264 HA VAL 33 HA VAL 33 4.251 1.291 -12.421 265 HB VAL 33 HB VAL 33 6.579 0.560 -14.218 266 1HG1 VAL 33 1HG1 VAL 33 4.912 -0.624 -15.550 267 2HG1 VAL 33 2HG1 VAL 33 3.659 -0.182 -14.390 268 3HG1 VAL 33 3HG1 VAL 33 4.971 -1.256 -13.903 269 1HG2 VAL 33 1HG2 VAL 33 5.367 1.757 -15.988 270 2HG2 VAL 33 2HG2 VAL 33 5.845 2.835 -14.675 271 3HG2 VAL 33 3HG2 VAL 33 4.173 2.288 -14.803 272 H VAL 34 H VAL 34 4.162 0.138 -10.539 273 HA VAL 34 HA VAL 34 6.303 -1.818 -10.043 274 HB VAL 34 HB VAL 34 4.096 -0.997 -8.147 275 1HG1 VAL 34 1HG1 VAL 34 5.048 -3.174 -7.666 276 2HG1 VAL 34 2HG1 VAL 34 5.541 -2.006 -6.440 277 3HG1 VAL 34 3HG1 VAL 34 6.676 -2.495 -7.699 278 1HG2 VAL 34 1HG2 VAL 34 6.941 0.006 -8.274 279 2HG2 VAL 34 2HG2 VAL 34 5.775 0.375 -7.002 280 3HG2 VAL 34 3HG2 VAL 34 5.493 0.937 -8.649 281 H ASP 35 H ASP 35 5.919 -3.933 -10.263 282 HA ASP 35 HA ASP 35 3.140 -4.848 -10.497 283 1HB ASP 35 2HB ASP 35 4.027 -4.550 -12.762 284 2HB ASP 35 1HB ASP 35 5.422 -5.545 -12.363 285 H MET 36 H MET 36 2.771 -6.445 -9.108 286 HA MET 36 HA MET 36 5.008 -8.134 -8.247 287 1HB MET 36 2HB MET 36 2.939 -6.832 -6.457 288 2HB MET 36 1HB MET 36 4.078 -8.064 -5.933 289 1HG MET 36 2HG MET 36 4.854 -5.375 -7.040 290 2HG MET 36 1HG MET 36 4.748 -5.769 -5.325 291 1HE MET 36 1HE MET 36 7.349 -4.543 -6.710 292 2HE MET 36 2HE MET 36 8.614 -5.514 -5.958 293 3HE MET 36 3HE MET 36 7.258 -4.933 -4.991 294 H ASN 37 H ASN 37 4.548 -10.131 -8.711 295 HA ASN 37 HA ASN 37 1.736 -11.006 -8.845 296 1HB ASN 37 2HB ASN 37 4.096 -12.233 -10.288 297 2HB ASN 37 1HB ASN 37 2.391 -12.561 -10.567 298 1HD2 ASN 37 1HD2 ASN 37 4.959 -10.239 -10.948 299 2HD2 ASN 37 2HD2 ASN 37 4.180 -9.262 -12.155 300 H ASN 38 H ASN 38 1.093 -12.822 -7.694 301 HA ASN 38 HA ASN 38 3.208 -14.654 -6.793 302 1HB ASN 38 2HB ASN 38 2.755 -13.280 -4.828 303 2HB ASN 38 1HB ASN 38 1.024 -13.560 -4.998 304 1HD2 ASN 38 1HD2 ASN 38 0.937 -14.427 -2.901 305 2HD2 ASN 38 2HD2 ASN 38 1.513 -16.023 -2.548 306 HA PRO 39 HA PRO 39 0.532 -17.100 -9.363 307 1HB PRO 39 2HB PRO 39 1.603 -19.474 -8.201 308 2HB PRO 39 1HB PRO 39 2.020 -18.742 -9.749 309 1HG PRO 39 2HG PRO 39 3.387 -18.535 -7.133 310 2HG PRO 39 1HG PRO 39 4.056 -18.404 -8.769 311 1HD PRO 39 2HD PRO 39 3.761 -16.249 -7.205 312 2HD PRO 39 1HD PRO 39 3.478 -16.163 -8.959 313 H THR 40 H THR 40 -1.516 -17.024 -8.760 314 HA THR 40 HA THR 40 -3.430 -18.092 -8.200 315 HB THR 40 HB THR 40 -1.819 -19.948 -6.446 316 HG1 THR 40 1HG THR 40 -1.139 -20.833 -8.240 317 1HG2 THR 40 1HG2 THR 40 -4.222 -20.034 -6.028 318 2HG2 THR 40 2HG2 THR 40 -3.690 -21.498 -6.853 319 3HG2 THR 40 3HG2 THR 40 -4.532 -20.236 -7.752 320 H CYS 41 H CYS 41 -1.309 -16.815 -5.736 321 HA CYS 41 HA CYS 41 -3.706 -16.569 -4.035 322 1HB CYS 41 2HB CYS 41 -2.049 -18.154 -3.076 323 2HB CYS 41 1HB CYS 41 -0.893 -16.829 -2.977 324 HG CYS 41 HG CYS 41 -2.553 -17.701 -0.551 325 H GLY 42 H GLY 42 -1.125 -14.957 -5.542 326 1HA GLY 42 2HA GLY 42 -2.212 -12.406 -4.587 327 2HA GLY 42 1HA GLY 42 -0.475 -12.680 -4.440 328 H ASP 43 H ASP 43 -2.924 -13.364 -6.836 329 HA ASP 43 HA ASP 43 -1.538 -14.043 -8.947 330 1HB ASP 43 2HB ASP 43 -3.933 -12.210 -9.017 331 2HB ASP 43 1HB ASP 43 -3.302 -13.076 -10.417 332 H ARG 44 H ARG 44 -2.471 -10.572 -8.787 333 HA ARG 44 HA ARG 44 0.194 -9.767 -9.373 334 1HB ARG 44 2HB ARG 44 -0.150 -8.905 -11.635 335 2HB ARG 44 1HB ARG 44 -0.336 -10.650 -11.580 336 1HG ARG 44 2HG ARG 44 -2.770 -10.389 -11.611 337 2HG ARG 44 1HG ARG 44 -2.573 -8.635 -11.680 338 1HD ARG 44 2HD ARG 44 -1.210 -8.988 -13.767 339 2HD ARG 44 1HD ARG 44 -1.732 -10.671 -13.730 340 HE ARG 44 HE ARG 44 -3.916 -9.984 -14.251 341 1HH1 ARG 44 1HH1 ARG 44 -1.673 -7.312 -14.054 342 2HH1 ARG 44 2HH1 ARG 44 -2.712 -6.200 -14.901 343 1HH2 ARG 44 1HH2 ARG 44 -5.280 -8.532 -15.408 344 2HH2 ARG 44 2HH2 ARG 44 -4.753 -6.896 -15.664 345 H ILE 45 H ILE 45 0.484 -7.675 -8.878 346 HA ILE 45 HA ILE 45 -1.856 -5.909 -8.968 347 HB ILE 45 HB ILE 45 -1.567 -6.419 -6.628 348 1HG1 ILE 45 2HG1 ILE 45 -0.447 -3.681 -7.268 349 2HG1 ILE 45 1HG1 ILE 45 -2.154 -4.107 -7.217 350 1HG2 ILE 45 1HG2 ILE 45 0.732 -7.189 -6.655 351 2HG2 ILE 45 2HG2 ILE 45 0.510 -5.948 -5.421 352 3HG2 ILE 45 3HG2 ILE 45 1.297 -5.545 -6.948 353 1HD1 ILE 45 1HD1 ILE 45 -1.504 -2.941 -5.207 354 2HD1 ILE 45 2HD1 ILE 45 -0.241 -4.132 -4.894 355 3HD1 ILE 45 3HD1 ILE 45 -1.938 -4.608 -4.828 356 H ARG 46 H ARG 46 -1.474 -4.430 -10.427 357 HA ARG 46 HA ARG 46 1.273 -3.471 -10.792 358 1HB ARG 46 2HB ARG 46 0.333 -4.380 -12.822 359 2HB ARG 46 1HB ARG 46 -1.106 -3.385 -12.649 360 1HG ARG 46 2HG ARG 46 -0.020 -1.461 -13.296 361 2HG ARG 46 1HG ARG 46 1.570 -2.088 -12.856 362 1HD ARG 46 2HD ARG 46 1.166 -1.919 -15.308 363 2HD ARG 46 1HD ARG 46 1.613 -3.527 -14.746 364 HE ARG 46 HE ARG 46 -1.190 -3.331 -14.813 365 1HH1 ARG 46 1HH1 ARG 46 1.558 -3.458 -16.977 366 2HH1 ARG 46 2HH1 ARG 46 0.668 -4.205 -18.274 367 1HH2 ARG 46 1HH2 ARG 46 -2.372 -4.326 -16.496 368 2HH2 ARG 46 2HH2 ARG 46 -1.574 -4.701 -18.000 369 H LEU 47 H LEU 47 1.635 -1.782 -9.607 370 HA LEU 47 HA LEU 47 -0.455 0.224 -9.200 371 1HB LEU 47 2HB LEU 47 0.389 -0.891 -7.158 372 2HB LEU 47 1HB LEU 47 2.016 -0.386 -7.558 373 HG LEU 47 HG LEU 47 -0.110 1.695 -7.165 374 1HD1 LEU 47 1HD1 LEU 47 0.440 1.765 -4.781 375 2HD1 LEU 47 2HD1 LEU 47 1.440 0.324 -4.966 376 3HD1 LEU 47 3HD1 LEU 47 -0.303 0.229 -5.222 377 1HD2 LEU 47 1HD2 LEU 47 2.072 2.390 -7.999 378 2HD2 LEU 47 2HD2 LEU 47 2.861 1.603 -6.632 379 3HD2 LEU 47 3HD2 LEU 47 1.811 2.994 -6.361 380 H THR 48 H THR 48 -0.217 1.764 -10.625 381 HA THR 48 HA THR 48 2.501 2.578 -11.388 382 HB THR 48 HB THR 48 1.298 3.499 -13.449 383 HG1 THR 48 1HG THR 48 -0.805 2.627 -12.080 384 1HG2 THR 48 1HG2 THR 48 2.705 1.505 -13.530 385 2HG2 THR 48 2HG2 THR 48 1.289 1.306 -14.562 386 3HG2 THR 48 3HG2 THR 48 1.348 0.515 -12.988 387 H MET 49 H MET 49 3.094 4.649 -11.108 388 HA MET 49 HA MET 49 1.027 6.575 -10.275 389 1HB MET 49 2HB MET 49 3.771 6.189 -9.066 390 2HB MET 49 1HB MET 49 2.751 7.582 -8.750 391 1HG MET 49 2HG MET 49 1.053 6.116 -7.781 392 2HG MET 49 1HG MET 49 2.087 4.724 -8.088 393 1HE MET 49 1HE MET 49 1.919 4.019 -5.511 394 2HE MET 49 2HE MET 49 0.867 5.406 -5.217 395 3HE MET 49 3HE MET 49 2.263 5.123 -4.179 396 H LYS 50 H LYS 50 1.563 8.803 -10.654 397 HA LYS 50 HA LYS 50 3.755 9.208 -12.573 398 1HB LYS 50 2HB LYS 50 1.417 9.174 -13.641 399 2HB LYS 50 1HB LYS 50 1.133 10.684 -12.785 400 1HG LYS 50 2HG LYS 50 3.244 11.540 -13.914 401 2HG LYS 50 1HG LYS 50 3.135 10.116 -14.949 402 1HD LYS 50 2HD LYS 50 0.694 10.922 -15.345 403 2HD LYS 50 1HD LYS 50 1.300 12.471 -14.759 404 1HE LYS 50 2HE LYS 50 2.172 10.918 -17.180 405 2HE LYS 50 1HE LYS 50 1.499 12.543 -17.111 406 1HZ LYS 50 1HZ LYS 50 4.176 11.717 -16.121 407 2HZ LYS 50 2HZ LYS 50 3.537 13.283 -15.997 408 3HZ LYS 50 3HZ LYS 50 3.860 12.615 -17.521 409 H LEU 51 H LEU 51 5.075 10.124 -11.021 410 HA LEU 51 HA LEU 51 4.144 12.480 -9.641 411 1HB LEU 51 2HB LEU 51 6.374 12.567 -8.634 412 2HB LEU 51 1HB LEU 51 5.613 11.011 -8.392 413 HG LEU 51 HG LEU 51 7.166 10.712 -10.708 414 1HD1 LEU 51 1HD1 LEU 51 9.395 11.386 -9.952 415 2HD1 LEU 51 2HD1 LEU 51 8.680 12.173 -8.546 416 3HD1 LEU 51 3HD1 LEU 51 8.336 12.781 -10.166 417 1HD2 LEU 51 1HD2 LEU 51 8.495 9.235 -9.250 418 2HD2 LEU 51 2HD2 LEU 51 6.758 8.999 -9.055 419 3HD2 LEU 51 3HD2 LEU 51 7.666 9.908 -7.846 420 H ASP 52 H ASP 52 3.796 14.074 -11.042 421 HA ASP 52 HA ASP 52 5.786 14.549 -13.148 422 1HB ASP 52 2HB ASP 52 3.174 14.370 -13.486 423 2HB ASP 52 1HB ASP 52 3.190 16.041 -12.934 424 H GLY 53 H GLY 53 7.053 15.174 -11.177 425 1HA GLY 53 2HA GLY 53 7.925 17.625 -10.940 426 2HA GLY 53 1HA GLY 53 6.391 17.800 -10.087 427 H ASP 54 H ASP 54 6.257 17.216 -8.026 428 HA ASP 54 HA ASP 54 8.280 15.427 -6.876 429 1HB ASP 54 2HB ASP 54 7.626 18.193 -5.822 430 2HB ASP 54 1HB ASP 54 8.561 16.992 -4.941 431 H ILE 55 H ILE 55 5.488 14.997 -7.484 432 HA ILE 55 HA ILE 55 4.314 14.792 -4.844 433 HB ILE 55 HB ILE 55 2.268 15.776 -5.451 434 1HG1 ILE 55 2HG1 ILE 55 1.865 14.868 -7.636 435 2HG1 ILE 55 1HG1 ILE 55 1.761 16.615 -7.764 436 1HG2 ILE 55 1HG2 ILE 55 2.799 18.049 -6.142 437 2HG2 ILE 55 2HG2 ILE 55 4.388 17.514 -6.686 438 3HG2 ILE 55 3HG2 ILE 55 3.970 17.434 -4.974 439 1HD1 ILE 55 1HD1 ILE 55 4.105 14.923 -8.618 440 2HD1 ILE 55 2HD1 ILE 55 3.983 16.674 -8.782 441 3HD1 ILE 55 3HD1 ILE 55 2.889 15.625 -9.683 442 H VAL 56 H VAL 56 2.735 13.180 -4.762 443 HA VAL 56 HA VAL 56 2.714 11.233 -6.899 444 HB VAL 56 HB VAL 56 1.005 11.272 -4.398 445 1HG1 VAL 56 1HG1 VAL 56 1.628 9.067 -6.363 446 2HG1 VAL 56 2HG1 VAL 56 0.067 9.851 -6.111 447 3HG1 VAL 56 3HG1 VAL 56 0.768 8.852 -4.837 448 1HG2 VAL 56 1HG2 VAL 56 2.618 9.658 -3.486 449 2HG2 VAL 56 2HG2 VAL 56 3.361 11.227 -3.803 450 3HG2 VAL 56 3HG2 VAL 56 3.635 9.881 -4.910 451 H GLU 57 H GLU 57 1.824 12.297 -8.645 452 HA GLU 57 HA GLU 57 -0.485 13.983 -8.352 453 1HB GLU 57 2HB GLU 57 1.236 14.525 -9.993 454 2HB GLU 57 1HB GLU 57 0.972 12.993 -10.810 455 1HG GLU 57 2HG GLU 57 -0.060 14.764 -12.054 456 2HG GLU 57 1HG GLU 57 -1.307 13.714 -11.382 457 H ASP 58 H ASP 58 0.161 10.975 -10.148 458 HA ASP 58 HA ASP 58 -2.668 10.284 -9.749 459 1HB ASP 58 2HB ASP 58 -2.158 11.191 -12.083 460 2HB ASP 58 1HB ASP 58 -1.209 9.730 -12.331 461 H ALA 59 H ALA 59 -3.103 8.029 -9.799 462 HA ALA 59 HA ALA 59 -0.918 6.152 -9.740 463 1HB ALA 59 1HB ALA 59 -0.747 7.095 -7.496 464 2HB ALA 59 2HB ALA 59 -1.297 5.421 -7.430 465 3HB ALA 59 3HB ALA 59 -2.449 6.735 -7.205 466 H LYS 60 H LYS 60 -1.644 4.180 -10.346 467 HA LYS 60 HA LYS 60 -4.496 3.597 -10.103 468 1HB LYS 60 2HB LYS 60 -2.978 3.819 -12.695 469 2HB LYS 60 1HB LYS 60 -4.417 2.814 -12.560 470 1HG LYS 60 2HG LYS 60 -5.780 4.688 -12.043 471 2HG LYS 60 1HG LYS 60 -4.374 5.730 -11.838 472 1HD LYS 60 2HD LYS 60 -3.891 5.654 -14.174 473 2HD LYS 60 1HD LYS 60 -5.116 4.413 -14.443 474 1HE LYS 60 2HE LYS 60 -5.850 6.675 -15.135 475 2HE LYS 60 1HE LYS 60 -6.879 5.958 -13.897 476 1HZ LYS 60 1HZ LYS 60 -5.735 7.305 -12.229 477 2HZ LYS 60 2HZ LYS 60 -6.434 8.282 -13.422 478 3HZ LYS 60 3HZ LYS 60 -4.764 8.006 -13.431 479 H PHE 61 H PHE 61 -4.927 1.458 -9.869 480 HA PHE 61 HA PHE 61 -2.616 -0.336 -9.877 481 1HB PHE 61 2HB PHE 61 -3.786 -1.207 -7.643 482 2HB PHE 61 1HB PHE 61 -2.574 0.070 -7.632 483 HD1 PHE 61 1HD PHE 61 -6.213 -0.593 -7.521 484 HD2 PHE 61 2HD PHE 61 -3.104 2.248 -6.914 485 HE1 PHE 61 1HE PHE 61 -7.817 0.925 -6.440 486 HE2 PHE 61 2HE PHE 61 -4.703 3.768 -5.827 487 HZ PHE 61 HZ PHE 61 -7.061 3.111 -5.591 488 H GLU 62 H GLU 62 -3.170 -1.741 -11.386 489 HA GLU 62 HA GLU 62 -5.817 -2.993 -11.339 490 1HB GLU 62 2HB GLU 62 -4.963 -2.369 -13.531 491 2HB GLU 62 1HB GLU 62 -3.470 -3.250 -13.236 492 1HG GLU 62 2HG GLU 62 -4.880 -5.334 -13.063 493 2HG GLU 62 1HG GLU 62 -6.219 -4.366 -13.682 494 H GLY 63 H GLY 63 -6.060 -4.766 -10.036 495 1HA GLY 63 2HA GLY 63 -3.803 -6.583 -9.757 496 2HA GLY 63 1HA GLY 63 -4.277 -5.723 -8.307 497 H GLU 64 H GLU 64 -4.215 -8.564 -8.935 498 HA GLU 64 HA GLU 64 -6.883 -9.155 -7.885 499 1HB GLU 64 2HB GLU 64 -6.970 -9.800 -10.249 500 2HB GLU 64 1HB GLU 64 -5.490 -10.728 -10.071 501 1HG GLU 64 2HG GLU 64 -7.486 -12.142 -10.124 502 2HG GLU 64 1HG GLU 64 -6.596 -12.294 -8.612 503 H GLY 65 H GLY 65 -6.858 -10.831 -6.350 504 1HA GLY 65 2HA GLY 65 -4.785 -12.461 -5.585 505 2HA GLY 65 1HA GLY 65 -4.392 -10.894 -4.892 506 H CYS 66 H CYS 66 -4.848 -10.986 -2.783 507 HA CYS 66 HA CYS 66 -7.226 -12.456 -1.911 508 1HB CYS 66 2HB CYS 66 -4.792 -11.442 -0.466 509 2HB CYS 66 1HB CYS 66 -6.260 -11.820 0.425 510 HG CYS 66 HG CYS 66 -6.298 -14.501 -0.177 511 H SER 67 H SER 67 -8.639 -11.462 -0.340 512 HA SER 67 HA SER 67 -9.677 -9.030 -1.162 513 1HB SER 67 2HB SER 67 -10.839 -9.158 1.150 514 2HB SER 67 1HB SER 67 -11.133 -10.459 -0.004 515 HG SER 67 HG SER 67 -10.547 -11.055 2.249 516 H ILE 68 H ILE 68 -7.380 -9.775 1.407 517 HA ILE 68 HA ILE 68 -7.468 -7.164 2.554 518 HB ILE 68 HB ILE 68 -6.518 -8.197 4.266 519 1HG1 ILE 68 2HG1 ILE 68 -4.332 -7.408 3.090 520 2HG1 ILE 68 1HG1 ILE 68 -4.219 -8.548 4.423 521 1HG2 ILE 68 1HG2 ILE 68 -5.941 -10.586 4.187 522 2HG2 ILE 68 2HG2 ILE 68 -6.083 -10.543 2.428 523 3HG2 ILE 68 3HG2 ILE 68 -7.497 -10.231 3.435 524 1HD1 ILE 68 1HD1 ILE 68 -4.038 -9.195 1.488 525 2HD1 ILE 68 2HD1 ILE 68 -4.005 -10.383 2.790 526 3HD1 ILE 68 3HD1 ILE 68 -2.715 -9.187 2.655 527 H SER 69 H SER 69 -5.596 -8.660 0.049 528 HA SER 69 HA SER 69 -3.334 -6.947 0.166 529 1HB SER 69 2HB SER 69 -4.250 -8.388 -2.314 530 2HB SER 69 1HB SER 69 -2.603 -8.107 -1.741 531 HG SER 69 HG SER 69 -3.824 -9.421 0.154 532 H MET 70 H MET 70 -6.067 -7.159 -2.052 533 HA MET 70 HA MET 70 -5.358 -4.700 -3.349 534 1HB MET 70 2HB MET 70 -7.856 -6.384 -3.633 535 2HB MET 70 1HB MET 70 -7.353 -5.085 -4.712 536 1HG MET 70 2HG MET 70 -5.958 -7.711 -4.251 537 2HG MET 70 1HG MET 70 -6.774 -7.176 -5.720 538 1HE MET 70 1HE MET 70 -3.559 -8.195 -4.966 539 2HE MET 70 2HE MET 70 -2.751 -7.330 -6.274 540 3HE MET 70 3HE MET 70 -4.252 -8.198 -6.586 541 H ALA 71 H ALA 71 -6.844 -5.400 -0.476 542 HA ALA 71 HA ALA 71 -8.679 -3.142 -0.516 543 1HB ALA 71 1HB ALA 71 -9.278 -5.160 0.736 544 2HB ALA 71 2HB ALA 71 -9.191 -3.742 1.780 545 3HB ALA 71 3HB ALA 71 -7.878 -4.921 1.780 546 H SER 72 H SER 72 -5.674 -4.073 1.127 547 HA SER 72 HA SER 72 -5.497 -1.610 2.565 548 1HB SER 72 2HB SER 72 -3.180 -2.477 3.131 549 2HB SER 72 1HB SER 72 -4.523 -3.530 3.581 550 HG SER 72 HG SER 72 -3.990 -4.924 2.029 551 H ALA 73 H ALA 73 -3.771 -2.948 -0.235 552 HA ALA 73 HA ALA 73 -1.939 -0.901 -0.615 553 1HB ALA 73 1HB ALA 73 -1.829 -3.055 -1.773 554 2HB ALA 73 2HB ALA 73 -1.730 -1.705 -2.903 555 3HB ALA 73 3HB ALA 73 -3.237 -2.606 -2.736 556 H SER 74 H SER 74 -5.240 -1.215 -1.886 557 HA SER 74 HA SER 74 -5.086 1.102 -3.513 558 1HB SER 74 2HB SER 74 -7.584 0.872 -3.618 559 2HB SER 74 1HB SER 74 -6.706 -0.595 -4.046 560 HG SER 74 HG SER 74 -7.529 -1.577 -2.372 561 H MET 75 H MET 75 -5.925 0.563 -0.162 562 HA MET 75 HA MET 75 -7.137 3.139 0.220 563 1HB MET 75 2HB MET 75 -7.416 0.951 1.632 564 2HB MET 75 1HB MET 75 -5.959 1.494 2.446 565 1HG MET 75 2HG MET 75 -8.540 3.033 2.249 566 2HG MET 75 1HG MET 75 -7.983 2.132 3.655 567 1HE MET 75 1HE MET 75 -8.371 4.259 5.174 568 2HE MET 75 2HE MET 75 -8.920 5.186 3.777 569 3HE MET 75 3HE MET 75 -7.679 5.846 4.841 570 H MET 76 H MET 76 -4.013 1.640 0.961 571 HA MET 76 HA MET 76 -2.819 3.904 2.130 572 1HB MET 76 2HB MET 76 -1.534 1.611 0.642 573 2HB MET 76 1HB MET 76 -0.664 2.785 1.616 574 1HG MET 76 2HG MET 76 -2.736 0.842 2.603 575 2HG MET 76 1HG MET 76 -0.994 0.717 2.830 576 1HE MET 76 1HE MET 76 -0.188 3.753 3.456 577 2HE MET 76 2HE MET 76 0.425 2.363 4.353 578 3HE MET 76 3HE MET 76 -0.259 3.737 5.218 579 H THR 77 H THR 77 -3.105 2.877 -1.223 580 HA THR 77 HA THR 77 -1.343 4.857 -2.270 581 HB THR 77 HB THR 77 -3.557 3.379 -3.709 582 HG1 THR 77 1HG THR 77 -2.148 1.869 -2.850 583 1HG2 THR 77 1HG2 THR 77 -2.250 3.795 -5.720 584 2HG2 THR 77 2HG2 THR 77 -1.040 4.666 -4.778 585 3HG2 THR 77 3HG2 THR 77 -2.670 5.321 -4.941 586 H GLN 78 H GLN 78 -4.663 4.865 -1.294 587 HA GLN 78 HA GLN 78 -5.468 7.169 -2.783 588 1HB GLN 78 2HB GLN 78 -7.060 5.486 -1.860 589 2HB GLN 78 1HB GLN 78 -6.643 6.013 -0.240 590 1HG GLN 78 2HG GLN 78 -7.711 7.984 -2.209 591 2HG GLN 78 1HG GLN 78 -8.804 6.870 -1.390 592 1HE2 GLN 78 1HE2 GLN 78 -9.011 6.991 0.871 593 2HE2 GLN 78 2HE2 GLN 78 -8.587 8.432 1.741 594 H ALA 79 H ALA 79 -4.410 6.564 0.536 595 HA ALA 79 HA ALA 79 -4.341 9.300 1.303 596 1HB ALA 79 1HB ALA 79 -2.926 6.910 2.483 597 2HB ALA 79 2HB ALA 79 -4.505 7.531 2.962 598 3HB ALA 79 3HB ALA 79 -3.057 8.497 3.241 599 H ILE 80 H ILE 80 -2.132 7.147 -0.312 600 HA ILE 80 HA ILE 80 0.190 8.786 0.065 601 HB ILE 80 HB ILE 80 -0.218 6.190 -0.757 602 1HG1 ILE 80 2HG1 ILE 80 1.748 7.069 0.419 603 2HG1 ILE 80 1HG1 ILE 80 2.214 6.063 -0.948 604 1HG2 ILE 80 1HG2 ILE 80 -0.732 6.817 -3.029 605 2HG2 ILE 80 2HG2 ILE 80 0.823 5.983 -2.969 606 3HG2 ILE 80 3HG2 ILE 80 0.769 7.740 -3.142 607 1HD1 ILE 80 1HD1 ILE 80 2.655 8.080 -2.264 608 2HD1 ILE 80 2HD1 ILE 80 3.631 8.011 -0.798 609 3HD1 ILE 80 3HD1 ILE 80 2.223 9.069 -0.870 610 H LYS 81 H LYS 81 -2.393 8.622 -2.260 611 HA LYS 81 HA LYS 81 -1.259 10.126 -4.340 612 1HB LYS 81 2HB LYS 81 -3.340 8.939 -4.665 613 2HB LYS 81 1HB LYS 81 -4.129 9.895 -3.418 614 1HG LYS 81 2HG LYS 81 -3.882 11.898 -4.801 615 2HG LYS 81 1HG LYS 81 -3.108 10.929 -6.055 616 1HD LYS 81 2HD LYS 81 -5.103 9.709 -6.466 617 2HD LYS 81 1HD LYS 81 -5.877 10.354 -5.017 618 1HE LYS 81 2HE LYS 81 -6.723 11.432 -7.045 619 2HE LYS 81 1HE LYS 81 -5.894 12.580 -5.997 620 1HZ LYS 81 1HZ LYS 81 -4.797 11.327 -8.458 621 2HZ LYS 81 2HZ LYS 81 -3.920 12.344 -7.422 622 3HZ LYS 81 3HZ LYS 81 -5.258 12.943 -8.264 623 H GLY 82 H GLY 82 -2.556 11.034 -1.251 624 1HA GLY 82 2HA GLY 82 -2.414 13.881 -1.934 625 2HA GLY 82 1HA GLY 82 -3.105 13.204 -0.464 626 H LYS 83 H LYS 83 0.021 12.375 -1.856 627 HA LYS 83 HA LYS 83 1.356 13.855 0.293 628 1HB LYS 83 2HB LYS 83 1.898 10.963 -0.428 629 2HB LYS 83 1HB LYS 83 2.885 11.930 0.661 630 1HG LYS 83 2HG LYS 83 0.993 12.170 2.179 631 2HG LYS 83 1HG LYS 83 -0.010 11.218 1.082 632 1HD LYS 83 2HD LYS 83 1.511 9.311 1.378 633 2HD LYS 83 1HD LYS 83 2.470 10.267 2.510 634 1HE LYS 83 2HE LYS 83 -0.426 9.489 2.844 635 2HE LYS 83 1HE LYS 83 0.942 8.764 3.685 636 1HZ LYS 83 1HZ LYS 83 -0.088 10.346 5.126 637 2HZ LYS 83 2HZ LYS 83 -0.029 11.560 3.941 638 3HZ LYS 83 3HZ LYS 83 1.407 10.987 4.636 639 H ASP 84 H ASP 84 3.836 13.727 -0.153 640 HA ASP 84 HA ASP 84 4.300 14.031 -3.023 641 1HB ASP 84 2HB ASP 84 5.690 15.551 -0.792 642 2HB ASP 84 1HB ASP 84 5.875 15.811 -2.522 643 H ILE 85 H ILE 85 7.063 14.293 -2.704 644 HA ILE 85 HA ILE 85 7.733 11.534 -2.119 645 HB ILE 85 HB ILE 85 9.209 13.800 -3.425 646 1HG1 ILE 85 2HG1 ILE 85 9.450 12.183 -5.248 647 2HG1 ILE 85 1HG1 ILE 85 8.707 10.932 -4.260 648 1HG2 ILE 85 1HG2 ILE 85 10.848 12.870 -1.904 649 2HG2 ILE 85 2HG2 ILE 85 11.232 12.412 -3.563 650 3HG2 ILE 85 3HG2 ILE 85 10.488 11.240 -2.474 651 1HD1 ILE 85 1HD1 ILE 85 7.370 13.428 -5.279 652 2HD1 ILE 85 2HD1 ILE 85 6.616 12.215 -4.246 653 3HD1 ILE 85 3HD1 ILE 85 7.133 11.786 -5.877 654 H GLU 86 H GLU 86 8.378 14.746 -0.899 655 HA GLU 86 HA GLU 86 10.284 14.172 1.052 656 1HB GLU 86 2HB GLU 86 9.447 16.437 0.246 657 2HB GLU 86 1HB GLU 86 8.075 16.214 1.322 658 1HG GLU 86 2HG GLU 86 9.765 17.604 2.348 659 2HG GLU 86 1HG GLU 86 9.592 16.084 3.226 660 H THR 87 H THR 87 6.746 14.160 1.221 661 HA THR 87 HA THR 87 6.743 13.369 3.989 662 HB THR 87 HB THR 87 4.213 13.130 3.518 663 HG1 THR 87 1HG THR 87 3.763 14.642 1.617 664 1HG2 THR 87 1HG2 THR 87 3.907 15.548 3.713 665 2HG2 THR 87 2HG2 THR 87 5.572 15.811 3.194 666 3HG2 THR 87 3HG2 THR 87 5.242 15.004 4.727 667 H ALA 88 H ALA 88 6.826 11.748 0.975 668 HA ALA 88 HA ALA 88 5.531 9.337 1.808 669 1HB ALA 88 1HB ALA 88 7.433 9.777 -0.488 670 2HB ALA 88 2HB ALA 88 5.683 9.974 -0.557 671 3HB ALA 88 3HB ALA 88 6.380 8.382 -0.257 672 H LEU 89 H LEU 89 8.879 10.444 1.561 673 HA LEU 89 HA LEU 89 10.095 8.046 2.397 674 1HB LEU 89 2HB LEU 89 10.921 10.908 2.299 675 2HB LEU 89 1HB LEU 89 11.868 9.821 3.291 676 HG LEU 89 HG LEU 89 12.878 10.075 1.093 677 1HD1 LEU 89 1HD1 LEU 89 13.149 7.945 2.223 678 2HD1 LEU 89 2HD1 LEU 89 13.057 7.715 0.477 679 3HD1 LEU 89 3HD1 LEU 89 11.660 7.348 1.489 680 1HD2 LEU 89 1HD2 LEU 89 10.876 10.594 -0.197 681 2HD2 LEU 89 2HD2 LEU 89 10.302 8.940 0.013 682 3HD2 LEU 89 3HD2 LEU 89 11.767 9.255 -0.920 683 H SER 90 H SER 90 8.991 10.904 4.159 684 HA SER 90 HA SER 90 9.768 9.955 6.711 685 1HB SER 90 2HB SER 90 7.714 12.039 5.945 686 2HB SER 90 1HB SER 90 8.316 11.771 7.581 687 HG SER 90 HG SER 90 9.358 13.441 6.070 688 H MET 91 H MET 91 6.905 9.494 4.763 689 HA MET 91 HA MET 91 5.219 8.375 6.742 690 1HB MET 91 2HB MET 91 4.369 9.085 4.556 691 2HB MET 91 1HB MET 91 5.335 7.850 3.762 692 1HG MET 91 2HG MET 91 4.034 6.145 5.084 693 2HG MET 91 1HG MET 91 2.962 7.462 5.558 694 1HE MET 91 1HE MET 91 3.583 6.083 1.199 695 2HE MET 91 2HE MET 91 4.366 5.332 2.590 696 3HE MET 91 3HE MET 91 4.802 6.974 2.114 697 H SER 92 H SER 92 7.810 7.108 4.808 698 HA SER 92 HA SER 92 7.329 4.368 5.572 699 1HB SER 92 2HB SER 92 8.150 4.846 3.313 700 2HB SER 92 1HB SER 92 9.573 5.644 3.983 701 HG SER 92 HG SER 92 9.466 3.243 5.068 702 H LYS 93 H LYS 93 9.311 7.094 6.426 703 HA LYS 93 HA LYS 93 11.196 5.829 8.070 704 1HB LYS 93 2HB LYS 93 10.870 8.356 7.320 705 2HB LYS 93 1HB LYS 93 10.010 8.466 8.848 706 1HG LYS 93 2HG LYS 93 12.858 7.542 8.531 707 2HG LYS 93 1HG LYS 93 12.362 9.166 9.002 708 1HD LYS 93 2HD LYS 93 11.291 8.266 11.001 709 2HD LYS 93 1HD LYS 93 11.754 6.632 10.525 710 1HE LYS 93 2HE LYS 93 13.280 7.520 12.208 711 2HE LYS 93 1HE LYS 93 14.111 7.251 10.676 712 1HZ LYS 93 1HZ LYS 93 14.046 9.574 10.203 713 2HZ LYS 93 2HZ LYS 93 14.664 9.387 11.773 714 3HZ LYS 93 3HZ LYS 93 13.059 9.886 11.551 715 H ILE 94 H ILE 94 8.007 7.210 8.805 716 HA ILE 94 HA ILE 94 7.996 6.133 11.461 717 HB ILE 94 HB ILE 94 6.755 8.180 10.970 718 1HG1 ILE 94 2HG1 ILE 94 4.945 5.885 11.756 719 2HG1 ILE 94 1HG1 ILE 94 6.014 6.773 12.839 720 1HG2 ILE 94 1HG2 ILE 94 4.672 8.124 9.681 721 2HG2 ILE 94 2HG2 ILE 94 5.001 6.446 9.246 722 3HG2 ILE 94 3HG2 ILE 94 6.078 7.728 8.691 723 1HD1 ILE 94 1HD1 ILE 94 4.717 8.800 12.459 724 2HD1 ILE 94 2HD1 ILE 94 3.706 7.490 13.069 725 3HD1 ILE 94 3HD1 ILE 94 3.658 7.920 11.359 726 H PHE 95 H PHE 95 7.014 5.027 8.295 727 HA PHE 95 HA PHE 95 5.175 3.040 9.011 728 1HB PHE 95 2HB PHE 95 5.677 3.720 6.676 729 2HB PHE 95 1HB PHE 95 7.226 2.896 6.791 730 HD1 PHE 95 1HD PHE 95 3.566 2.342 6.949 731 HD2 PHE 95 2HD PHE 95 7.404 0.622 6.295 732 HE1 PHE 95 1HE PHE 95 2.500 0.257 6.190 733 HE2 PHE 95 2HE PHE 95 6.346 -1.465 5.535 734 HZ PHE 95 HZ PHE 95 3.890 -1.650 5.483 735 H SER 96 H SER 96 8.718 2.863 8.833 736 HA SER 96 HA SER 96 8.746 0.130 9.765 737 1HB SER 96 2HB SER 96 11.062 2.066 9.524 738 2HB SER 96 1HB SER 96 11.153 0.307 9.622 739 HG SER 96 HG SER 96 11.351 1.131 7.461 740 H ASP 97 H ASP 97 9.141 3.324 11.103 741 HA ASP 97 HA ASP 97 10.429 2.558 13.518 742 1HB ASP 97 2HB ASP 97 10.619 4.805 12.556 743 2HB ASP 97 1HB ASP 97 8.903 5.079 12.832 744 H MET 98 H MET 98 7.087 2.814 12.562 745 HA MET 98 HA MET 98 5.919 3.335 15.033 746 1HB MET 98 2HB MET 98 3.827 2.498 14.059 747 2HB MET 98 1HB MET 98 4.673 3.606 12.994 748 1HG MET 98 2HG MET 98 4.000 2.003 11.521 749 2HG MET 98 1HG MET 98 5.608 1.414 11.930 750 1HE MET 98 1HE MET 98 4.999 -0.980 10.973 751 2HE MET 98 2HE MET 98 3.397 -0.383 10.541 752 3HE MET 98 3HE MET 98 3.563 -1.886 11.449 753 H MET 99 H MET 99 6.897 0.239 13.668 754 HA MET 99 HA MET 99 5.455 -1.267 15.656 755 1HB MET 99 2HB MET 99 5.858 -2.113 13.350 756 2HB MET 99 1HB MET 99 7.572 -2.217 13.718 757 1HG MET 99 2HG MET 99 6.498 -4.386 13.884 758 2HG MET 99 1HG MET 99 7.112 -3.862 15.452 759 1HE MET 99 1HE MET 99 3.872 -5.918 16.335 760 2HE MET 99 2HE MET 99 5.617 -5.787 16.555 761 3HE MET 99 3HE MET 99 4.957 -6.233 14.982 762 H GLN 100 H GLN 100 8.573 0.122 15.333 763 HA GLN 100 HA GLN 100 9.824 -1.591 17.308 764 1HB GLN 100 2HB GLN 100 11.167 -0.828 15.429 765 2HB GLN 100 1HB GLN 100 10.821 0.849 15.819 766 1HG GLN 100 2HG GLN 100 13.065 0.215 16.497 767 2HG GLN 100 1HG GLN 100 12.074 0.650 17.886 768 1HE2 GLN 100 1HE2 GLN 100 11.831 -2.415 16.197 769 2HE2 GLN 100 2HE2 GLN 100 12.447 -3.384 17.498 770 H GLY 101 H GLY 101 8.590 1.682 17.005 771 1HA GLY 101 2HA GLY 101 9.389 2.507 19.621 772 2HA GLY 101 1HA GLY 101 8.255 3.336 18.567 773 H LYS 102 H LYS 102 6.207 1.634 18.241 774 HA LYS 102 HA LYS 102 5.258 0.366 20.553 775 1HB LYS 102 2HB LYS 102 5.430 2.601 21.569 776 2HB LYS 102 1HB LYS 102 4.393 3.258 20.312 777 1HG LYS 102 2HG LYS 102 2.606 1.678 21.118 778 2HG LYS 102 1HG LYS 102 3.653 1.335 22.499 779 1HD LYS 102 2HD LYS 102 2.013 3.054 23.058 780 2HD LYS 102 1HD LYS 102 3.651 3.712 23.090 781 1HE LYS 102 2HE LYS 102 3.326 4.673 20.875 782 2HE LYS 102 1HE LYS 102 1.710 3.973 20.793 783 1HZ LYS 102 1HZ LYS 102 2.560 5.943 22.844 784 2HZ LYS 102 2HZ LYS 102 0.987 5.376 22.558 785 3HZ LYS 102 3HZ LYS 102 1.759 6.351 21.406 786 H GLU 103 H GLU 103 3.513 2.860 18.777 787 HA GLU 103 HA GLU 103 2.249 1.243 16.863 788 1HB GLU 103 2HB GLU 103 1.256 0.156 18.856 789 2HB GLU 103 1HB GLU 103 0.644 1.714 19.388 790 1HG GLU 103 2HG GLU 103 -0.715 1.825 17.314 791 2HG GLU 103 1HG GLU 103 -0.178 0.190 16.925 792 H TYR 104 H TYR 104 2.417 3.019 15.537 793 HA TYR 104 HA TYR 104 0.461 5.063 15.818 794 1HB TYR 104 2HB TYR 104 2.224 6.950 15.739 795 2HB TYR 104 1HB TYR 104 1.850 6.214 17.286 796 HD1 TYR 104 1HD TYR 104 4.362 6.357 14.573 797 HD2 TYR 104 2HD TYR 104 3.527 5.074 18.543 798 HE1 TYR 104 1HE TYR 104 6.745 5.871 14.913 799 HE2 TYR 104 2HE TYR 104 5.910 4.583 18.889 800 HH TYR 104 HH TYR 104 8.334 5.458 16.487 801 H ASP 105 H ASP 105 -0.212 5.483 13.870 802 HA ASP 105 HA ASP 105 1.738 5.496 11.665 803 1HB ASP 105 2HB ASP 105 0.362 3.489 11.432 804 2HB ASP 105 1HB ASP 105 -1.105 4.455 11.549 805 H ASP 106 H ASP 106 1.896 7.729 12.062 806 HA ASP 106 HA ASP 106 1.500 9.926 11.707 807 1HB ASP 106 2HB ASP 106 1.488 9.110 9.383 808 2HB ASP 106 1HB ASP 106 -0.254 8.873 9.483 809 H SER 107 H SER 107 -1.685 8.902 10.626 810 HA SER 107 HA SER 107 -2.946 10.849 12.358 811 1HB SER 107 2HB SER 107 -5.047 9.950 11.191 812 2HB SER 107 1HB SER 107 -3.857 10.758 10.171 813 HG SER 107 HG SER 107 -3.162 8.792 9.417 814 H ILE 108 H ILE 108 -1.885 7.769 12.736 815 HA ILE 108 HA ILE 108 -2.060 6.281 14.433 816 HB ILE 108 HB ILE 108 -4.164 8.043 15.711 817 1HG1 ILE 108 2HG1 ILE 108 -2.186 9.405 15.255 818 2HG1 ILE 108 1HG1 ILE 108 -2.315 9.080 16.979 819 1HG2 ILE 108 1HG2 ILE 108 -2.236 6.022 16.863 820 2HG2 ILE 108 2HG2 ILE 108 -3.983 5.830 16.701 821 3HG2 ILE 108 3HG2 ILE 108 -3.327 7.040 17.804 822 1HD1 ILE 108 1HD1 ILE 108 -0.486 7.658 15.059 823 2HD1 ILE 108 2HD1 ILE 108 -0.603 7.363 16.794 824 3HD1 ILE 108 3HD1 ILE 108 -0.019 8.918 16.202 825 H ASP 109 H ASP 109 -3.645 6.205 12.025 826 HA ASP 109 HA ASP 109 -5.903 4.580 12.963 827 1HB ASP 109 2HB ASP 109 -5.459 6.210 10.594 828 2HB ASP 109 1HB ASP 109 -5.960 4.573 10.174 829 H LEU 110 H LEU 110 -4.925 2.731 13.617 830 HA LEU 110 HA LEU 110 -2.872 1.528 11.931 831 1HB LEU 110 2HB LEU 110 -3.861 0.897 14.706 832 2HB LEU 110 1HB LEU 110 -2.738 -0.138 13.850 833 HG LEU 110 HG LEU 110 -1.458 1.181 15.338 834 1HD1 LEU 110 1HD1 LEU 110 -0.452 0.911 13.154 835 2HD1 LEU 110 2HD1 LEU 110 -0.015 2.472 13.851 836 3HD1 LEU 110 3HD1 LEU 110 -1.243 2.382 12.588 837 1HD2 LEU 110 1HD2 LEU 110 -3.081 2.924 15.817 838 2HD2 LEU 110 2HD2 LEU 110 -2.828 3.618 14.214 839 3HD2 LEU 110 3HD2 LEU 110 -1.515 3.620 15.394 840 H GLY 111 H GLY 111 -6.124 1.456 11.939 841 1HA GLY 111 2HA GLY 111 -6.758 -1.304 11.989 842 2HA GLY 111 1HA GLY 111 -7.727 -0.038 11.249 843 H ASP 112 H ASP 112 -5.963 0.889 9.334 844 HA ASP 112 HA ASP 112 -6.314 -1.007 7.264 845 1HB ASP 112 2HB ASP 112 -4.536 1.447 7.276 846 2HB ASP 112 1HB ASP 112 -5.137 0.600 5.855 847 H ILE 113 H ILE 113 -3.471 0.090 9.048 848 HA ILE 113 HA ILE 113 -1.568 -1.538 7.783 849 HB ILE 113 HB ILE 113 -1.528 -0.444 10.605 850 1HG1 ILE 113 2HG1 ILE 113 -1.809 1.331 8.950 851 2HG1 ILE 113 1HG1 ILE 113 -0.191 1.392 9.641 852 1HG2 ILE 113 1HG2 ILE 113 0.103 -2.232 10.284 853 2HG2 ILE 113 2HG2 ILE 113 0.899 -0.670 10.468 854 3HG2 ILE 113 3HG2 ILE 113 0.746 -1.398 8.870 855 1HD1 ILE 113 1HD1 ILE 113 -0.915 0.222 6.964 856 2HD1 ILE 113 2HD1 ILE 113 0.705 0.314 7.653 857 3HD1 ILE 113 3HD1 ILE 113 -0.163 1.793 7.244 858 H GLU 114 H GLU 114 -3.786 -2.126 10.451 859 HA GLU 114 HA GLU 114 -2.670 -4.500 11.449 860 1HB GLU 114 2HB GLU 114 -4.517 -3.147 12.501 861 2HB GLU 114 1HB GLU 114 -5.614 -3.830 11.310 862 1HG GLU 114 2HG GLU 114 -5.901 -5.094 13.270 863 2HG GLU 114 1HG GLU 114 -4.957 -6.101 12.173 864 H ALA 115 H ALA 115 -4.847 -3.877 8.757 865 HA ALA 115 HA ALA 115 -5.391 -6.607 8.150 866 1HB ALA 115 1HB ALA 115 -6.853 -4.776 7.420 867 2HB ALA 115 2HB ALA 115 -6.305 -5.756 6.060 868 3HB ALA 115 3HB ALA 115 -5.572 -4.181 6.364 869 H LEU 116 H LEU 116 -2.653 -4.700 7.816 870 HA LEU 116 HA LEU 116 -1.591 -6.292 5.572 871 1HB LEU 116 2HB LEU 116 -1.630 -3.788 5.409 872 2HB LEU 116 1HB LEU 116 -0.563 -3.722 6.794 873 HG LEU 116 HG LEU 116 1.107 -5.044 5.404 874 1HD1 LEU 116 1HD1 LEU 116 -0.769 -4.204 3.194 875 2HD1 LEU 116 2HD1 LEU 116 -0.458 -5.860 3.714 876 3HD1 LEU 116 3HD1 LEU 116 0.833 -4.908 2.979 877 1HD2 LEU 116 1HD2 LEU 116 0.288 -2.288 4.488 878 2HD2 LEU 116 2HD2 LEU 116 1.867 -3.033 4.239 879 3HD2 LEU 116 3HD2 LEU 116 1.316 -2.657 5.872 880 H GLN 117 H GLN 117 -1.725 -6.173 8.826 881 HA GLN 117 HA GLN 117 1.055 -6.464 9.513 882 1HB GLN 117 2HB GLN 117 -0.826 -5.315 10.861 883 2HB GLN 117 1HB GLN 117 -1.267 -6.943 11.357 884 1HG GLN 117 2HG GLN 117 0.110 -5.955 13.039 885 2HG GLN 117 1HG GLN 117 1.017 -7.245 12.245 886 1HE2 GLN 117 1HE2 GLN 117 0.586 -3.801 12.515 887 2HE2 GLN 117 2HE2 GLN 117 2.142 -3.361 11.893 888 H GLY 118 H GLY 118 -1.780 -8.484 10.278 889 1HA GLY 118 2HA GLY 118 -0.257 -10.661 11.187 890 2HA GLY 118 1HA GLY 118 -1.958 -10.723 10.750 891 H VAL 119 H VAL 119 -1.673 -10.024 8.024 892 HA VAL 119 HA VAL 119 -1.164 -12.613 6.980 893 HB VAL 119 HB VAL 119 -1.645 -11.603 4.777 894 1HG1 VAL 119 1HG1 VAL 119 -3.575 -10.804 6.954 895 2HG1 VAL 119 2HG1 VAL 119 -3.465 -12.396 6.202 896 3HG1 VAL 119 3HG1 VAL 119 -3.963 -11.000 5.244 897 1HG2 VAL 119 1HG2 VAL 119 -2.315 -9.250 4.645 898 2HG2 VAL 119 2HG2 VAL 119 -0.628 -9.419 5.127 899 3HG2 VAL 119 3HG2 VAL 119 -1.852 -9.028 6.333 900 H SER 120 H SER 120 0.826 -9.913 7.506 901 HA SER 120 HA SER 120 2.585 -9.985 5.349 902 1HB SER 120 2HB SER 120 2.440 -8.126 6.964 903 2HB SER 120 1HB SER 120 3.180 -9.147 8.192 904 HG SER 120 HG SER 120 4.913 -9.350 6.432 905 H LYS 121 H LYS 121 2.182 -12.499 7.551 906 HA LYS 121 HA LYS 121 4.984 -13.261 7.337 907 1HB LYS 121 2HB LYS 121 5.073 -13.795 9.789 908 2HB LYS 121 1HB LYS 121 5.060 -12.088 9.384 909 1HG LYS 121 2HG LYS 121 3.615 -12.187 11.170 910 2HG LYS 121 1HG LYS 121 2.511 -12.251 9.796 911 1HD LYS 121 2HD LYS 121 2.304 -14.646 10.023 912 2HD LYS 121 1HD LYS 121 3.521 -14.664 11.299 913 1HE LYS 121 2HE LYS 121 0.830 -13.309 11.430 914 2HE LYS 121 1HE LYS 121 1.270 -14.819 12.226 915 1HZ LYS 121 1HZ LYS 121 2.289 -12.093 12.800 916 2HZ LYS 121 2HZ LYS 121 3.039 -13.491 13.394 917 3HZ LYS 121 3HZ LYS 121 1.444 -13.135 13.838 918 H PHE 122 H PHE 122 1.671 -14.178 7.732 919 HA PHE 122 HA PHE 122 2.029 -16.939 8.103 920 1HB PHE 122 2HB PHE 122 -0.080 -15.466 6.497 921 2HB PHE 122 1HB PHE 122 -0.138 -17.181 6.873 922 HD1 PHE 122 1HD PHE 122 0.455 -17.460 9.609 923 HD2 PHE 122 2HD PHE 122 -1.624 -14.294 7.672 924 HE1 PHE 122 1HE PHE 122 -0.734 -16.967 11.701 925 HE2 PHE 122 2HE PHE 122 -2.813 -13.789 9.761 926 HZ PHE 122 HZ PHE 122 -2.371 -15.125 11.782 927 HA PRO 123 HA PRO 123 4.432 -17.911 4.474 928 1HB PRO 123 2HB PRO 123 3.047 -20.535 4.801 929 2HB PRO 123 1HB PRO 123 4.769 -20.189 4.600 930 1HG PRO 123 2HG PRO 123 3.819 -20.831 6.987 931 2HG PRO 123 1HG PRO 123 5.032 -19.547 6.821 932 1HD PRO 123 2HD PRO 123 2.087 -19.324 7.292 933 2HD PRO 123 1HD PRO 123 3.414 -18.346 7.951 934 H ALA 124 H ALA 124 0.995 -18.239 4.726 935 HA ALA 124 HA ALA 124 0.743 -18.704 1.848 936 1HB ALA 124 1HB ALA 124 -1.369 -18.795 3.990 937 2HB ALA 124 2HB ALA 124 -0.515 -20.184 3.319 938 3HB ALA 124 3HB ALA 124 -1.584 -19.226 2.294 939 H ARG 125 H ARG 125 0.738 -16.005 3.980 940 HA ARG 125 HA ARG 125 -0.875 -14.547 1.992 941 1HB ARG 125 2HB ARG 125 -1.062 -14.366 4.995 942 2HB ARG 125 1HB ARG 125 -1.593 -13.055 3.954 943 1HG ARG 125 2HG ARG 125 -3.540 -14.228 4.408 944 2HG ARG 125 1HG ARG 125 -3.068 -14.812 2.813 945 1HD ARG 125 2HD ARG 125 -2.038 -16.789 3.875 946 2HD ARG 125 1HD ARG 125 -2.595 -16.210 5.446 947 HE ARG 125 HE ARG 125 -4.607 -16.619 3.371 948 1HH1 ARG 125 1HH1 ARG 125 -3.020 -17.845 6.234 949 2HH1 ARG 125 2HH1 ARG 125 -4.319 -18.911 6.671 950 1HH2 ARG 125 1HH2 ARG 125 -6.332 -18.015 3.927 951 2HH2 ARG 125 2HH2 ARG 125 -6.221 -18.993 5.359 952 H ILE 126 H ILE 126 2.036 -15.005 3.269 953 HA ILE 126 HA ILE 126 2.935 -12.483 4.097 954 HB ILE 126 HB ILE 126 4.225 -14.420 4.667 955 1HG1 ILE 126 2HG1 ILE 126 5.774 -12.740 2.684 956 2HG1 ILE 126 1HG1 ILE 126 5.489 -12.334 4.372 957 1HG2 ILE 126 1HG2 ILE 126 4.641 -14.848 1.714 958 2HG2 ILE 126 2HG2 ILE 126 3.677 -15.853 2.798 959 3HG2 ILE 126 3HG2 ILE 126 5.428 -15.764 3.000 960 1HD1 ILE 126 1HD1 ILE 126 7.729 -13.206 4.032 961 2HD1 ILE 126 2HD1 ILE 126 7.058 -14.699 3.373 962 3HD1 ILE 126 3HD1 ILE 126 6.782 -14.277 5.064 963 H LYS 127 H LYS 127 2.669 -13.982 0.964 964 HA LYS 127 HA LYS 127 4.196 -11.847 -0.283 965 1HB LYS 127 2HB LYS 127 2.942 -14.347 -1.384 966 2HB LYS 127 1HB LYS 127 3.622 -13.102 -2.426 967 1HG LYS 127 2HG LYS 127 5.762 -13.356 -1.083 968 2HG LYS 127 1HG LYS 127 5.037 -14.816 -0.410 969 1HD LYS 127 2HD LYS 127 4.908 -15.836 -2.559 970 2HD LYS 127 1HD LYS 127 5.345 -14.326 -3.365 971 1HE LYS 127 2HE LYS 127 7.537 -14.423 -2.161 972 2HE LYS 127 1HE LYS 127 7.087 -16.031 -1.595 973 1HZ LYS 127 1HZ LYS 127 7.041 -16.830 -3.816 974 2HZ LYS 127 2HZ LYS 127 8.506 -15.999 -3.611 975 3HZ LYS 127 3HZ LYS 127 7.229 -15.274 -4.458 976 H CYS 128 H CYS 128 0.916 -12.662 0.332 977 HA CYS 128 HA CYS 128 -0.221 -10.837 -1.546 978 1HB CYS 128 2HB CYS 128 -1.342 -11.906 1.057 979 2HB CYS 128 1HB CYS 128 -2.265 -11.041 -0.168 980 HG CYS 128 HG CYS 128 -0.709 -14.045 -0.701 981 H ALA 129 H ALA 129 1.064 -10.664 1.687 982 HA ALA 129 HA ALA 129 0.311 -7.900 2.066 983 1HB ALA 129 1HB ALA 129 1.679 -8.024 4.092 984 2HB ALA 129 2HB ALA 129 2.252 -9.620 3.608 985 3HB ALA 129 3HB ALA 129 0.549 -9.374 3.997 986 H THR 130 H THR 130 3.181 -9.737 1.188 987 HA THR 130 HA THR 130 5.002 -7.640 0.959 988 HB THR 130 HB THR 130 4.835 -10.230 -0.595 989 HG1 THR 130 1HG THR 130 5.173 -10.399 1.694 990 1HG2 THR 130 1HG2 THR 130 7.133 -8.274 -0.399 991 2HG2 THR 130 2HG2 THR 130 6.193 -8.637 -1.848 992 3HG2 THR 130 3HG2 THR 130 7.216 -9.880 -1.125 993 H LEU 131 H LEU 131 2.683 -8.932 -1.444 994 HA LEU 131 HA LEU 131 3.615 -7.293 -3.541 995 1HB LEU 131 2HB LEU 131 1.594 -7.849 -4.741 996 2HB LEU 131 1HB LEU 131 2.255 -9.275 -3.975 997 HG LEU 131 HG LEU 131 0.487 -8.730 -2.106 998 1HD1 LEU 131 1HD1 LEU 131 -0.284 -6.615 -2.981 999 2HD1 LEU 131 2HD1 LEU 131 -1.585 -7.803 -3.072 1000 3HD1 LEU 131 3HD1 LEU 131 -0.687 -7.365 -4.525 1001 1HD2 LEU 131 1HD2 LEU 131 0.551 -10.747 -3.475 1002 2HD2 LEU 131 2HD2 LEU 131 -0.273 -9.893 -4.779 1003 3HD2 LEU 131 3HD2 LEU 131 -1.100 -10.175 -3.247 1004 H SER 132 H SER 132 1.224 -6.758 -1.015 1005 HA SER 132 HA SER 132 0.304 -4.269 -2.053 1006 1HB SER 132 2HB SER 132 0.213 -5.238 0.814 1007 2HB SER 132 1HB SER 132 -0.833 -4.029 0.068 1008 HG SER 132 HG SER 132 -0.784 -6.824 -0.311 1009 H TRP 133 H TRP 133 2.557 -5.115 0.568 1010 HA TRP 133 HA TRP 133 3.165 -2.437 1.252 1011 1HB TRP 133 2HB TRP 133 3.636 -3.767 3.031 1012 2HB TRP 133 1HB TRP 133 4.080 -5.137 2.026 1013 HD1 TRP 133 HD TRP 133 5.776 -1.660 2.641 1014 HE1 TRP 133 1HE TRP 133 8.277 -2.106 3.100 1015 HE3 TRP 133 3HE TRP 133 5.762 -6.770 2.327 1016 HZ2 TRP 133 2HZ TRP 133 9.993 -4.331 3.329 1017 HZ3 TRP 133 3HZ TRP 133 7.872 -7.979 2.692 1018 HH2 TRP 133 HH TRP 133 9.944 -6.782 3.182 1019 H LYS 134 H LYS 134 4.956 -4.857 -0.676 1020 HA LYS 134 HA LYS 134 7.176 -3.131 -1.083 1021 1HB LYS 134 2HB LYS 134 6.309 -5.628 -2.531 1022 2HB LYS 134 1HB LYS 134 7.798 -4.766 -2.895 1023 1HG LYS 134 2HG LYS 134 7.108 -5.916 -0.200 1024 2HG LYS 134 1HG LYS 134 8.104 -6.722 -1.410 1025 1HD LYS 134 2HD LYS 134 8.714 -4.053 -0.141 1026 2HD LYS 134 1HD LYS 134 9.450 -5.591 0.315 1027 1HE LYS 134 2HE LYS 134 10.306 -5.808 -2.002 1028 2HE LYS 134 1HE LYS 134 9.661 -4.206 -2.355 1029 1HZ LYS 134 1HZ LYS 134 11.767 -4.862 -0.363 1030 2HZ LYS 134 2HZ LYS 134 11.100 -3.315 -0.586 1031 3HZ LYS 134 3HZ LYS 134 11.985 -4.049 -1.838 1032 H ALA 135 H ALA 135 4.138 -3.535 -2.760 1033 HA ALA 135 HA ALA 135 4.926 -2.224 -5.157 1034 1HB ALA 135 1HB ALA 135 2.177 -2.445 -3.939 1035 2HB ALA 135 2HB ALA 135 2.911 -3.602 -5.050 1036 3HB ALA 135 3HB ALA 135 2.540 -1.965 -5.596 1037 H LEU 136 H LEU 136 3.862 -1.144 -2.022 1038 HA LEU 136 HA LEU 136 3.405 1.581 -2.927 1039 1HB LEU 136 2HB LEU 136 2.147 0.268 -1.047 1040 2HB LEU 136 1HB LEU 136 3.517 0.725 -0.054 1041 HG LEU 136 HG LEU 136 3.007 3.135 -0.732 1042 1HD1 LEU 136 1HD1 LEU 136 1.545 2.598 -2.626 1043 2HD1 LEU 136 2HD1 LEU 136 0.715 3.588 -1.425 1044 3HD1 LEU 136 3HD1 LEU 136 0.389 1.857 -1.518 1045 1HD2 LEU 136 1HD2 LEU 136 2.558 2.242 1.487 1046 2HD2 LEU 136 2HD2 LEU 136 1.015 1.596 0.927 1047 3HD2 LEU 136 3HD2 LEU 136 1.272 3.340 0.983 1048 H GLU 137 H GLU 137 5.681 -0.295 -1.043 1049 HA GLU 137 HA GLU 137 7.377 1.799 -0.225 1050 1HB GLU 137 2HB GLU 137 7.416 -0.439 0.796 1051 2HB GLU 137 1HB GLU 137 8.002 -1.121 -0.715 1052 1HG GLU 137 2HG GLU 137 9.998 0.392 -0.491 1053 2HG GLU 137 1HG GLU 137 9.433 0.753 1.139 1054 H LYS 138 H LYS 138 7.330 -0.298 -3.077 1055 HA LYS 138 HA LYS 138 9.939 0.495 -3.964 1056 1HB LYS 138 2HB LYS 138 8.715 -1.656 -4.562 1057 2HB LYS 138 1HB LYS 138 7.787 -0.698 -5.706 1058 1HG LYS 138 2HG LYS 138 9.869 -0.069 -6.847 1059 2HG LYS 138 1HG LYS 138 10.773 -1.085 -5.721 1060 1HD LYS 138 2HD LYS 138 9.485 -3.038 -6.488 1061 2HD LYS 138 1HD LYS 138 8.645 -2.009 -7.651 1062 1HE LYS 138 2HE LYS 138 11.600 -2.608 -7.565 1063 2HE LYS 138 1HE LYS 138 10.441 -3.198 -8.755 1064 1HZ LYS 138 1HZ LYS 138 11.600 -1.391 -9.723 1065 2HZ LYS 138 2HZ LYS 138 11.359 -0.404 -8.362 1066 3HZ LYS 138 3HZ LYS 138 10.045 -0.819 -9.350 1067 H GLY 139 H GLY 139 6.944 2.016 -4.063 1068 1HA GLY 139 2HA GLY 139 7.368 3.495 -6.496 1069 2HA GLY 139 1HA GLY 139 6.089 3.755 -5.320 1070 H VAL 140 H VAL 140 7.085 4.543 -3.080 1071 HA VAL 140 HA VAL 140 9.039 6.664 -3.604 1072 HB VAL 140 HB VAL 140 7.453 8.348 -2.572 1073 1HG1 VAL 140 1HG1 VAL 140 6.682 7.159 -5.234 1074 2HG1 VAL 140 2HG1 VAL 140 7.929 8.375 -4.956 1075 3HG1 VAL 140 3HG1 VAL 140 6.234 8.768 -4.663 1076 1HG2 VAL 140 1HG2 VAL 140 5.051 7.857 -2.736 1077 2HG2 VAL 140 2HG2 VAL 140 5.866 6.788 -1.597 1078 3HG2 VAL 140 3HG2 VAL 140 5.432 6.200 -3.199 1079 H ALA 141 H ALA 141 8.667 4.235 -1.707 1080 HA ALA 141 HA ALA 141 8.950 5.744 0.813 1081 1HB ALA 141 1HB ALA 141 7.681 3.033 0.483 1082 2HB ALA 141 2HB ALA 141 6.813 4.551 0.712 1083 3HB ALA 141 3HB ALA 141 7.858 3.931 1.991 1084 H LYS 142 H LYS 142 10.907 5.548 1.704 1085 HA LYS 142 HA LYS 142 12.113 2.952 1.970 1086 1HB LYS 142 2HB LYS 142 12.785 3.901 -0.337 1087 2HB LYS 142 1HB LYS 142 13.797 5.015 0.571 1088 1HG LYS 142 2HG LYS 142 15.137 3.277 1.416 1089 2HG LYS 142 1HG LYS 142 13.976 2.041 0.925 1090 1HD LYS 142 2HD LYS 142 14.412 2.660 -1.443 1091 2HD LYS 142 1HD LYS 142 15.677 3.755 -0.878 1092 1HE LYS 142 2HE LYS 142 16.546 1.558 -1.621 1093 2HE LYS 142 1HE LYS 142 16.916 1.921 0.064 1094 1HZ LYS 142 1HZ LYS 142 14.620 0.236 -0.788 1095 2HZ LYS 142 2HZ LYS 142 15.202 0.457 0.788 1096 3HZ LYS 142 3HZ LYS 142 16.134 -0.389 -0.349 1097 H GLU 143 H GLU 143 11.109 5.096 3.653 1098 HA GLU 143 HA GLU 143 11.546 6.052 5.651 1099 1HB GLU 143 2HB GLU 143 12.626 3.887 6.151 1100 2HB GLU 143 1HB GLU 143 14.149 4.514 5.534 1101 1HG GLU 143 2HG GLU 143 13.985 6.310 7.293 1102 2HG GLU 143 1HG GLU 143 12.648 5.392 7.984 1103 H GLU 144 H GLU 144 14.929 5.924 4.698 1104 HA GLU 144 HA GLU 144 15.308 8.478 3.709 1105 1HB GLU 144 2HB GLU 144 16.212 9.682 5.677 1106 2HB GLU 144 1HB GLU 144 14.491 9.360 5.826 1107 1HG GLU 144 2HG GLU 144 14.884 7.584 7.367 1108 2HG GLU 144 1HG GLU 144 16.624 7.668 7.099 1109 H GLY 145 H GLY 145 16.397 5.756 5.532 1110 1HA GLY 145 2HA GLY 145 19.200 6.244 5.166 1111 2HA GLY 145 1HA GLY 145 18.463 4.756 5.745 1112 H GLY 146 H GLY 146 20.161 3.797 4.363 1113 1HA GLY 146 2HA GLY 146 19.872 2.306 2.411 1114 2HA GLY 146 1HA GLY 146 19.293 3.720 1.541 1115 H ASN 147 H ASN 147 21.385 5.355 2.988 1116 HA ASN 147 HA ASN 147 23.551 4.841 1.114 1117 1HB ASN 147 2HB ASN 147 22.633 7.154 1.734 1118 2HB ASN 147 1HB ASN 147 23.470 6.960 3.265 1119 1HD2 ASN 147 1HD2 ASN 147 25.709 5.501 1.837 1120 2HD2 ASN 147 2HD2 ASN 147 26.617 6.777 1.096 Start of MODEL 6 1 1H MET 1 1HT MET 1 -20.552 -9.578 17.770 2 2H MET 1 2HT MET 1 -21.955 -10.519 17.881 3 3H MET 1 3HT MET 1 -20.445 -11.190 18.279 4 HA MET 1 HA MET 1 -21.800 -8.982 19.716 5 1HB MET 1 2HB MET 1 -21.396 -11.890 20.429 6 2HB MET 1 1HB MET 1 -21.897 -10.664 21.585 7 1HG MET 1 2HG MET 1 -23.889 -10.223 20.225 8 2HG MET 1 1HG MET 1 -23.392 -11.495 19.111 9 1HE MET 1 1HE MET 1 -26.240 -11.340 20.511 10 2HE MET 1 2HE MET 1 -26.489 -13.023 20.975 11 3HE MET 1 3HE MET 1 -25.787 -12.637 19.406 12 H SER 2 H SER 2 -19.506 -11.497 20.711 13 HA SER 2 HA SER 2 -17.718 -9.345 21.614 14 1HB SER 2 2HB SER 2 -18.585 -10.831 23.397 15 2HB SER 2 1HB SER 2 -17.885 -12.219 22.570 16 HG SER 2 HG SER 2 -16.351 -9.985 23.428 17 H PHE 3 H PHE 3 -15.526 -9.449 21.162 18 HA PHE 3 HA PHE 3 -13.611 -9.932 20.057 19 1HB PHE 3 2HB PHE 3 -13.981 -12.274 20.807 20 2HB PHE 3 1HB PHE 3 -14.898 -12.576 19.339 21 HD1 PHE 3 1HD PHE 3 -13.778 -13.754 17.728 22 HD2 PHE 3 2HD PHE 3 -11.581 -11.102 20.228 23 HE1 PHE 3 1HE PHE 3 -11.699 -14.392 16.576 24 HE2 PHE 3 2HE PHE 3 -9.502 -11.733 19.077 25 HZ PHE 3 HZ PHE 3 -9.559 -13.380 17.252 26 H ASN 4 H ASN 4 -16.121 -11.481 18.043 27 HA ASN 4 HA ASN 4 -16.893 -11.074 15.951 28 1HB ASN 4 2HB ASN 4 -15.943 -8.312 16.685 29 2HB ASN 4 1HB ASN 4 -16.656 -8.649 15.113 30 1HD2 ASN 4 1HD2 ASN 4 -18.389 -7.269 15.534 31 2HD2 ASN 4 2HD2 ASN 4 -19.660 -7.712 16.629 32 H ALA 5 H ALA 5 -14.043 -11.855 16.437 33 HA ALA 5 HA ALA 5 -12.194 -12.389 15.245 34 1HB ALA 5 1HB ALA 5 -12.272 -12.405 12.818 35 2HB ALA 5 2HB ALA 5 -13.738 -11.423 12.841 36 3HB ALA 5 3HB ALA 5 -13.764 -13.061 13.494 37 H ASN 6 H ASN 6 -10.270 -11.480 14.546 38 HA ASN 6 HA ASN 6 -10.060 -8.674 15.143 39 1HB ASN 6 2HB ASN 6 -8.361 -10.244 15.941 40 2HB ASN 6 1HB ASN 6 -7.957 -10.668 14.282 41 1HD2 ASN 6 1HD2 ASN 6 -8.653 -7.426 15.474 42 2HD2 ASN 6 2HD2 ASN 6 -7.070 -6.793 15.197 43 H LEU 7 H LEU 7 -9.243 -10.674 12.300 44 HA LEU 7 HA LEU 7 -8.741 -8.189 10.815 45 1HB LEU 7 2HB LEU 7 -7.098 -10.231 11.136 46 2HB LEU 7 1HB LEU 7 -8.020 -10.911 9.814 47 HG LEU 7 HG LEU 7 -6.644 -8.234 9.621 48 1HD1 LEU 7 1HD1 LEU 7 -4.835 -9.393 8.471 49 2HD1 LEU 7 2HD1 LEU 7 -5.605 -10.945 8.801 50 3HD1 LEU 7 3HD1 LEU 7 -4.993 -9.965 10.132 51 1HD2 LEU 7 1HD2 LEU 7 -8.392 -8.622 7.976 52 2HD2 LEU 7 2HD2 LEU 7 -7.662 -10.168 7.543 53 3HD2 LEU 7 3HD2 LEU 7 -6.802 -8.663 7.216 54 H ASP 8 H ASP 8 -10.534 -11.208 10.724 55 HA ASP 8 HA ASP 8 -11.378 -11.282 8.096 56 1HB ASP 8 2HB ASP 8 -11.721 -13.157 9.560 57 2HB ASP 8 1HB ASP 8 -12.774 -12.214 10.608 58 H THR 9 H THR 9 -13.097 -9.803 10.837 59 HA THR 9 HA THR 9 -15.234 -8.908 9.155 60 HB THR 9 HB THR 9 -14.623 -8.087 12.000 61 HG1 THR 9 1HG THR 9 -15.549 -9.921 12.603 62 1HG2 THR 9 1HG2 THR 9 -16.246 -6.631 10.836 63 2HG2 THR 9 2HG2 THR 9 -17.000 -7.565 12.128 64 3HG2 THR 9 3HG2 THR 9 -17.218 -8.051 10.446 65 H LEU 10 H LEU 10 -12.211 -7.544 10.214 66 HA LEU 10 HA LEU 10 -12.977 -4.821 9.792 67 1HB LEU 10 2HB LEU 10 -10.302 -6.143 10.158 68 2HB LEU 10 1HB LEU 10 -10.463 -4.426 9.852 69 HG LEU 10 HG LEU 10 -11.482 -5.948 12.248 70 1HD1 LEU 10 1HD1 LEU 10 -9.967 -4.479 13.475 71 2HD1 LEU 10 2HD1 LEU 10 -9.460 -3.729 11.963 72 3HD1 LEU 10 3HD1 LEU 10 -9.096 -5.427 12.270 73 1HD2 LEU 10 1HD2 LEU 10 -13.128 -4.271 11.568 74 2HD2 LEU 10 2HD2 LEU 10 -11.867 -3.037 11.552 75 3HD2 LEU 10 3HD2 LEU 10 -12.325 -3.811 13.070 76 H TYR 11 H TYR 11 -10.927 -7.073 7.923 77 HA TYR 11 HA TYR 11 -10.423 -5.187 5.874 78 1HB TYR 11 2HB TYR 11 -9.134 -6.805 4.840 79 2HB TYR 11 1HB TYR 11 -9.117 -7.389 6.499 80 HD1 TYR 11 1HD TYR 11 -10.286 -9.431 7.104 81 HD2 TYR 11 2HD TYR 11 -10.388 -7.975 3.111 82 HE1 TYR 11 1HE TYR 11 -11.153 -11.600 6.341 83 HE2 TYR 11 2HE TYR 11 -11.257 -10.136 2.337 84 HH TYR 11 HH TYR 11 -11.412 -12.400 2.970 85 H ARG 12 H ARG 12 -12.919 -7.557 6.425 86 HA ARG 12 HA ARG 12 -13.986 -7.574 3.804 87 1HB ARG 12 2HB ARG 12 -14.558 -9.277 5.497 88 2HB ARG 12 1HB ARG 12 -15.403 -8.053 6.436 89 1HG ARG 12 2HG ARG 12 -17.099 -7.834 4.809 90 2HG ARG 12 1HG ARG 12 -16.165 -8.731 3.610 91 1HD ARG 12 2HD ARG 12 -16.374 -10.755 4.937 92 2HD ARG 12 1HD ARG 12 -17.251 -9.868 6.181 93 HE ARG 12 HE ARG 12 -19.127 -9.781 4.796 94 1HH1 ARG 12 1HH1 ARG 12 -16.438 -11.345 3.189 95 2HH1 ARG 12 2HH1 ARG 12 -17.429 -12.111 1.984 96 1HH2 ARG 12 1HH2 ARG 12 -20.444 -10.799 3.218 97 2HH2 ARG 12 2HH2 ARG 12 -19.709 -11.816 2.015 98 H GLN 13 H GLN 13 -14.443 -5.502 6.603 99 HA GLN 13 HA GLN 13 -16.424 -3.870 5.328 100 1HB GLN 13 2HB GLN 13 -14.686 -3.393 7.754 101 2HB GLN 13 1HB GLN 13 -15.897 -2.255 7.183 102 1HG GLN 13 2HG GLN 13 -17.646 -3.897 7.546 103 2HG GLN 13 1HG GLN 13 -16.444 -5.080 8.066 104 1HE2 GLN 13 1HE2 GLN 13 -15.423 -4.813 10.047 105 2HE2 GLN 13 2HE2 GLN 13 -16.043 -3.760 11.273 106 H VAL 14 H VAL 14 -12.899 -3.790 5.717 107 HA VAL 14 HA VAL 14 -12.460 -1.221 4.656 108 HB VAL 14 HB VAL 14 -10.678 -3.663 4.541 109 1HG1 VAL 14 1HG1 VAL 14 -10.001 -0.775 3.977 110 2HG1 VAL 14 2HG1 VAL 14 -10.033 -2.088 2.799 111 3HG1 VAL 14 3HG1 VAL 14 -8.841 -2.097 4.099 112 1HG2 VAL 14 1HG2 VAL 14 -9.499 -2.550 6.392 113 2HG2 VAL 14 2HG2 VAL 14 -11.169 -2.938 6.800 114 3HG2 VAL 14 3HG2 VAL 14 -10.724 -1.280 6.392 115 H ILE 15 H ILE 15 -12.530 -4.383 3.005 116 HA ILE 15 HA ILE 15 -12.075 -3.257 0.436 117 HB ILE 15 HB ILE 15 -11.561 -5.620 0.963 118 1HG1 ILE 15 2HG1 ILE 15 -13.525 -5.240 -1.309 119 2HG1 ILE 15 1HG1 ILE 15 -11.803 -4.876 -1.367 120 1HG2 ILE 15 1HG2 ILE 15 -13.350 -7.288 0.974 121 2HG2 ILE 15 2HG2 ILE 15 -14.551 -5.999 0.904 122 3HG2 ILE 15 3HG2 ILE 15 -13.510 -6.158 2.318 123 1HD1 ILE 15 1HD1 ILE 15 -12.292 -6.979 -2.466 124 2HD1 ILE 15 2HD1 ILE 15 -13.025 -7.599 -0.986 125 3HD1 ILE 15 3HD1 ILE 15 -11.298 -7.241 -1.032 126 H MET 16 H MET 16 -14.942 -3.803 2.349 127 HA MET 16 HA MET 16 -16.752 -3.527 0.129 128 1HB MET 16 2HB MET 16 -17.314 -4.861 2.146 129 2HB MET 16 1HB MET 16 -17.333 -3.381 3.093 130 1HG MET 16 2HG MET 16 -19.215 -2.548 1.880 131 2HG MET 16 1HG MET 16 -19.127 -3.885 0.735 132 1HE MET 16 1HE MET 16 -18.642 -4.055 4.642 133 2HE MET 16 2HE MET 16 -20.282 -4.412 5.179 134 3HE MET 16 3HE MET 16 -19.915 -2.847 4.455 135 H ASP 17 H ASP 17 -15.390 -1.431 2.591 136 HA ASP 17 HA ASP 17 -16.992 0.844 2.038 137 1HB ASP 17 2HB ASP 17 -15.620 0.602 4.086 138 2HB ASP 17 1HB ASP 17 -14.160 0.724 3.108 139 H HIS 18 H HIS 18 -14.115 -0.491 0.629 140 HA HIS 18 HA HIS 18 -13.678 1.753 -1.136 141 1HB HIS 18 2HB HIS 18 -11.790 0.423 -0.183 142 2HB HIS 18 1HB HIS 18 -12.352 -0.971 -1.096 143 HD1 HIS 18 1HD HIS 18 -11.292 2.608 -1.851 144 HD2 HIS 18 2HD HIS 18 -11.076 -1.214 -3.468 145 HE1 HIS 18 1HE HIS 18 -9.909 2.836 -3.936 146 HE2 HIS 18 2HE HIS 18 -9.657 0.481 -4.812 147 H TYR 19 H TYR 19 -15.404 -1.178 -1.035 148 HA TYR 19 HA TYR 19 -15.723 -1.666 -3.814 149 1HB TYR 19 2HB TYR 19 -16.180 -3.217 -1.816 150 2HB TYR 19 1HB TYR 19 -17.707 -2.362 -1.665 151 HD1 TYR 19 1HD TYR 19 -15.717 -4.592 -3.815 152 HD2 TYR 19 2HD TYR 19 -19.527 -2.817 -3.159 153 HE1 TYR 19 1HE TYR 19 -16.713 -6.146 -5.436 154 HE2 TYR 19 2HE TYR 19 -20.537 -4.366 -4.783 155 HH TYR 19 HH TYR 19 -19.019 -7.138 -5.856 156 H LYS 20 H LYS 20 -17.146 0.483 -1.522 157 HA LYS 20 HA LYS 20 -19.477 1.260 -2.862 158 1HB LYS 20 2HB LYS 20 -17.592 3.010 -1.266 159 2HB LYS 20 1HB LYS 20 -19.268 3.373 -1.641 160 1HG LYS 20 2HG LYS 20 -20.041 1.613 -0.229 161 2HG LYS 20 1HG LYS 20 -18.397 1.009 0.001 162 1HD LYS 20 2HD LYS 20 -17.801 3.147 1.084 163 2HD LYS 20 1HD LYS 20 -19.479 3.670 0.923 164 1HE LYS 20 2HE LYS 20 -20.225 1.881 2.346 165 2HE LYS 20 1HE LYS 20 -18.598 1.202 2.411 166 1HZ LYS 20 1HZ LYS 20 -17.830 3.109 3.609 167 2HZ LYS 20 2HZ LYS 20 -19.210 2.507 4.399 168 3HZ LYS 20 3HZ LYS 20 -19.326 3.893 3.431 169 H ASN 21 H ASN 21 -16.104 1.932 -3.380 170 HA ASN 21 HA ASN 21 -16.837 3.527 -5.754 171 1HB ASN 21 2HB ASN 21 -14.622 4.178 -3.796 172 2HB ASN 21 1HB ASN 21 -14.802 4.938 -5.372 173 1HD2 ASN 21 1HD2 ASN 21 -17.746 4.942 -5.165 174 2HD2 ASN 21 2HD2 ASN 21 -18.132 6.212 -4.055 175 HA PRO 22 HA PRO 22 -14.050 0.070 -6.957 176 1HB PRO 22 2HB PRO 22 -15.786 -0.229 -9.262 177 2HB PRO 22 1HB PRO 22 -15.455 -1.386 -7.972 178 1HG PRO 22 2HG PRO 22 -17.866 -0.165 -8.305 179 2HG PRO 22 1HG PRO 22 -17.261 -0.718 -6.734 180 1HD PRO 22 2HD PRO 22 -17.284 2.042 -7.894 181 2HD PRO 22 1HD PRO 22 -17.618 1.517 -6.230 182 H ARG 23 H ARG 23 -12.339 1.345 -7.559 183 HA ARG 23 HA ARG 23 -12.405 2.335 -10.326 184 1HB ARG 23 2HB ARG 23 -11.068 3.750 -8.004 185 2HB ARG 23 1HB ARG 23 -11.057 4.276 -9.681 186 1HG ARG 23 2HG ARG 23 -13.503 4.554 -9.584 187 2HG ARG 23 1HG ARG 23 -13.465 4.102 -7.880 188 1HD ARG 23 2HD ARG 23 -13.537 6.484 -8.009 189 2HD ARG 23 1HD ARG 23 -11.921 6.017 -7.481 190 HE ARG 23 HE ARG 23 -11.942 6.295 -10.280 191 1HH1 ARG 23 1HH1 ARG 23 -12.142 8.253 -7.384 192 2HH1 ARG 23 2HH1 ARG 23 -11.473 9.666 -8.131 193 1HH2 ARG 23 1HH2 ARG 23 -11.049 8.142 -11.273 194 2HH2 ARG 23 2HH2 ARG 23 -10.870 9.612 -10.351 195 H ASN 24 H ASN 24 -11.407 -0.120 -8.948 196 HA ASN 24 HA ASN 24 -8.523 0.154 -9.029 197 1HB ASN 24 2HB ASN 24 -10.372 -2.086 -8.272 198 2HB ASN 24 1HB ASN 24 -8.659 -2.385 -8.540 199 1HD2 ASN 24 1HD2 ASN 24 -8.218 -2.917 -6.455 200 2HD2 ASN 24 2HD2 ASN 24 -8.230 -1.773 -5.155 201 H LYS 25 H LYS 25 -8.564 0.745 -11.316 202 HA LYS 25 HA LYS 25 -7.678 -1.517 -12.807 203 1HB LYS 25 2HB LYS 25 -10.096 -1.695 -13.261 204 2HB LYS 25 1HB LYS 25 -10.100 -0.039 -13.860 205 1HG LYS 25 2HG LYS 25 -8.620 -0.656 -15.671 206 2HG LYS 25 1HG LYS 25 -8.512 -2.304 -15.050 207 1HD LYS 25 2HD LYS 25 -10.923 -2.586 -15.427 208 2HD LYS 25 1HD LYS 25 -11.003 -0.944 -16.075 209 1HE LYS 25 2HE LYS 25 -10.880 -2.565 -17.881 210 2HE LYS 25 1HE LYS 25 -9.426 -1.568 -17.840 211 1HZ LYS 25 1HZ LYS 25 -9.721 -4.368 -16.900 212 2HZ LYS 25 2HZ LYS 25 -8.356 -3.418 -16.563 213 3HZ LYS 25 3HZ LYS 25 -8.749 -3.797 -18.167 214 H GLY 26 H GLY 26 -5.782 -0.631 -13.295 215 1HA GLY 26 2HA GLY 26 -5.661 1.254 -15.397 216 2HA GLY 26 1HA GLY 26 -5.242 2.030 -13.876 217 H VAL 27 H VAL 27 -3.733 1.189 -16.396 218 HA VAL 27 HA VAL 27 -1.394 0.292 -14.904 219 HB VAL 27 HB VAL 27 -2.115 -1.763 -15.883 220 1HG1 VAL 27 1HG1 VAL 27 -2.511 -2.066 -18.273 221 2HG1 VAL 27 2HG1 VAL 27 -2.274 -0.337 -18.533 222 3HG1 VAL 27 3HG1 VAL 27 -3.638 -0.907 -17.570 223 1HG2 VAL 27 1HG2 VAL 27 0.275 -1.368 -15.975 224 2HG2 VAL 27 2HG2 VAL 27 0.107 -0.595 -17.552 225 3HG2 VAL 27 3HG2 VAL 27 -0.245 -2.315 -17.368 226 H LEU 28 H LEU 28 -0.392 2.200 -14.971 227 HA LEU 28 HA LEU 28 -0.296 3.677 -17.514 228 1HB LEU 28 2HB LEU 28 -1.164 4.857 -15.563 229 2HB LEU 28 1HB LEU 28 0.310 4.514 -14.678 230 HG LEU 28 HG LEU 28 1.546 5.877 -16.402 231 1HD1 LEU 28 1HD1 LEU 28 -0.121 5.758 -18.175 232 2HD1 LEU 28 2HD1 LEU 28 0.246 7.431 -17.754 233 3HD1 LEU 28 3HD1 LEU 28 -1.249 6.686 -17.185 234 1HD2 LEU 28 1HD2 LEU 28 1.003 6.747 -14.197 235 2HD2 LEU 28 2HD2 LEU 28 -0.585 7.255 -14.774 236 3HD2 LEU 28 3HD2 LEU 28 0.870 8.015 -15.419 237 H ASN 29 H ASN 29 1.558 3.905 -18.627 238 HA ASN 29 HA ASN 29 4.063 3.325 -17.204 239 1HB ASN 29 2HB ASN 29 5.046 2.715 -19.424 240 2HB ASN 29 1HB ASN 29 3.775 1.626 -18.887 241 1HD2 ASN 29 1HD2 ASN 29 1.758 1.685 -19.944 242 2HD2 ASN 29 2HD2 ASN 29 1.590 2.371 -21.522 243 H ASP 30 H ASP 30 4.810 5.239 -16.612 244 HA ASP 30 HA ASP 30 5.456 7.251 -18.533 245 1HB ASP 30 2HB ASP 30 3.086 7.735 -18.389 246 2HB ASP 30 1HB ASP 30 3.158 7.760 -16.631 247 H SER 31 H SER 31 4.639 6.959 -15.067 248 HA SER 31 HA SER 31 7.194 8.301 -14.489 249 1HB SER 31 2HB SER 31 5.240 9.661 -13.887 250 2HB SER 31 1HB SER 31 4.617 8.347 -12.893 251 HG SER 31 HG SER 31 7.127 9.612 -12.472 252 H ILE 32 H ILE 32 4.933 6.488 -12.423 253 HA ILE 32 HA ILE 32 7.184 4.731 -11.688 254 HB ILE 32 HB ILE 32 4.712 5.414 -10.087 255 1HG1 ILE 32 2HG1 ILE 32 7.613 6.168 -9.682 256 2HG1 ILE 32 1HG1 ILE 32 6.326 7.256 -10.194 257 1HG2 ILE 32 1HG2 ILE 32 5.423 3.133 -9.663 258 2HG2 ILE 32 2HG2 ILE 32 5.779 4.156 -8.271 259 3HG2 ILE 32 3HG2 ILE 32 7.072 3.683 -9.372 260 1HD1 ILE 32 1HD1 ILE 32 6.848 7.548 -7.843 261 2HD1 ILE 32 2HD1 ILE 32 6.492 5.846 -7.540 262 3HD1 ILE 32 3HD1 ILE 32 5.206 6.940 -8.053 263 H VAL 33 H VAL 33 7.044 2.637 -12.103 264 HA VAL 33 HA VAL 33 4.398 1.469 -12.679 265 HB VAL 33 HB VAL 33 6.909 0.826 -14.243 266 1HG1 VAL 33 1HG1 VAL 33 5.370 -1.047 -14.055 267 2HG1 VAL 33 2HG1 VAL 33 5.401 -0.428 -15.707 268 3HG1 VAL 33 3HG1 VAL 33 4.049 -0.037 -14.643 269 1HG2 VAL 33 1HG2 VAL 33 5.865 1.956 -16.137 270 2HG2 VAL 33 2HG2 VAL 33 6.115 3.073 -14.795 271 3HG2 VAL 33 3HG2 VAL 33 4.506 2.427 -15.116 272 H VAL 34 H VAL 34 4.224 0.321 -10.781 273 HA VAL 34 HA VAL 34 6.364 -1.645 -10.277 274 HB VAL 34 HB VAL 34 4.593 -0.329 -8.207 275 1HG1 VAL 34 1HG1 VAL 34 5.999 -1.503 -6.567 276 2HG1 VAL 34 2HG1 VAL 34 6.831 -2.328 -7.886 277 3HG1 VAL 34 3HG1 VAL 34 5.115 -2.623 -7.603 278 1HG2 VAL 34 1HG2 VAL 34 6.639 0.726 -7.400 279 2HG2 VAL 34 2HG2 VAL 34 6.310 1.183 -9.072 280 3HG2 VAL 34 3HG2 VAL 34 7.550 -0.018 -8.713 281 H ASP 35 H ASP 35 5.741 -3.671 -10.567 282 HA ASP 35 HA ASP 35 2.944 -4.373 -9.984 283 1HB ASP 35 2HB ASP 35 2.889 -5.922 -11.780 284 2HB ASP 35 1HB ASP 35 3.592 -4.457 -12.451 285 H MET 36 H MET 36 2.606 -6.391 -8.975 286 HA MET 36 HA MET 36 4.966 -7.818 -8.052 287 1HB MET 36 2HB MET 36 4.132 -6.040 -6.351 288 2HB MET 36 1HB MET 36 2.764 -7.116 -6.118 289 1HG MET 36 2HG MET 36 5.636 -7.913 -5.726 290 2HG MET 36 1HG MET 36 4.563 -7.377 -4.438 291 1HE MET 36 1HE MET 36 5.036 -9.593 -3.039 292 2HE MET 36 2HE MET 36 6.161 -10.093 -4.298 293 3HE MET 36 3HE MET 36 4.924 -11.212 -3.726 294 H ASN 37 H ASN 37 4.679 -9.872 -8.289 295 HA ASN 37 HA ASN 37 1.982 -10.863 -8.925 296 1HB ASN 37 2HB ASN 37 4.633 -11.961 -9.887 297 2HB ASN 37 1HB ASN 37 3.031 -12.432 -10.443 298 1HD2 ASN 37 1HD2 ASN 37 5.400 -9.869 -10.407 299 2HD2 ASN 37 2HD2 ASN 37 4.788 -9.008 -11.784 300 H ASN 38 H ASN 38 1.166 -12.111 -7.365 301 HA ASN 38 HA ASN 38 2.999 -14.113 -6.178 302 1HB ASN 38 2HB ASN 38 2.070 -12.536 -4.468 303 2HB ASN 38 1HB ASN 38 0.448 -13.053 -4.912 304 1HD2 ASN 38 1HD2 ASN 38 0.270 -13.653 -2.624 305 2HD2 ASN 38 2HD2 ASN 38 0.905 -15.169 -2.093 306 HA PRO 39 HA PRO 39 0.848 -16.059 -9.622 307 1HB PRO 39 2HB PRO 39 2.027 -18.355 -8.089 308 2HB PRO 39 1HB PRO 39 1.936 -18.106 -9.839 309 1HG PRO 39 2HG PRO 39 4.173 -17.554 -8.503 310 2HG PRO 39 1HG PRO 39 3.628 -16.523 -9.837 311 1HD PRO 39 2HD PRO 39 3.658 -15.982 -6.937 312 2HD PRO 39 1HD PRO 39 3.633 -14.844 -8.298 313 H THR 40 H THR 40 -1.263 -16.273 -9.642 314 HA THR 40 HA THR 40 -3.221 -17.407 -9.529 315 HB THR 40 HB THR 40 -2.009 -19.210 -7.433 316 HG1 THR 40 1HG THR 40 -1.254 -18.869 -9.977 317 1HG2 THR 40 1HG2 THR 40 -4.234 -19.623 -9.437 318 2HG2 THR 40 2HG2 THR 40 -4.429 -19.422 -7.694 319 3HG2 THR 40 3HG2 THR 40 -3.609 -20.849 -8.334 320 H CYS 41 H CYS 41 -1.818 -15.709 -7.011 321 HA CYS 41 HA CYS 41 -4.370 -15.673 -5.537 322 1HB CYS 41 2HB CYS 41 -2.575 -17.036 -4.400 323 2HB CYS 41 1HB CYS 41 -1.669 -15.539 -4.207 324 HG CYS 41 HG CYS 41 -4.410 -16.622 -2.578 325 H GLY 42 H GLY 42 -1.285 -13.978 -5.990 326 1HA GLY 42 2HA GLY 42 -2.789 -11.429 -5.967 327 2HA GLY 42 1HA GLY 42 -1.178 -11.574 -5.259 328 H ASP 43 H ASP 43 -2.879 -12.318 -8.224 329 HA ASP 43 HA ASP 43 -0.668 -13.102 -9.671 330 1HB ASP 43 2HB ASP 43 -3.354 -12.124 -10.593 331 2HB ASP 43 1HB ASP 43 -2.128 -12.725 -11.707 332 H ARG 44 H ARG 44 -2.353 -9.930 -10.183 333 HA ARG 44 HA ARG 44 0.309 -8.858 -10.811 334 1HB ARG 44 2HB ARG 44 -2.076 -8.450 -12.622 335 2HB ARG 44 1HB ARG 44 -0.483 -7.746 -12.830 336 1HG ARG 44 2HG ARG 44 0.449 -9.966 -13.220 337 2HG ARG 44 1HG ARG 44 -1.156 -10.673 -13.004 338 1HD ARG 44 2HD ARG 44 -0.199 -8.834 -15.183 339 2HD ARG 44 1HD ARG 44 -0.845 -10.468 -15.339 340 HE ARG 44 HE ARG 44 -2.406 -8.043 -14.724 341 1HH1 ARG 44 1HH1 ARG 44 -2.256 -11.407 -15.697 342 2HH1 ARG 44 2HH1 ARG 44 -3.946 -11.490 -16.106 343 1HH2 ARG 44 1HH2 ARG 44 -4.593 -8.135 -15.274 344 2HH2 ARG 44 2HH2 ARG 44 -5.278 -9.608 -15.900 345 H ILE 45 H ILE 45 0.232 -7.531 -8.955 346 HA ILE 45 HA ILE 45 -1.933 -5.562 -8.980 347 HB ILE 45 HB ILE 45 -1.457 -6.402 -6.774 348 1HG1 ILE 45 2HG1 ILE 45 -0.412 -3.582 -7.115 349 2HG1 ILE 45 1HG1 ILE 45 -2.103 -4.048 -6.963 350 1HG2 ILE 45 1HG2 ILE 45 1.379 -5.496 -7.227 351 2HG2 ILE 45 2HG2 ILE 45 0.806 -7.151 -7.019 352 3HG2 ILE 45 3HG2 ILE 45 0.722 -6.015 -5.674 353 1HD1 ILE 45 1HD1 ILE 45 -1.232 -3.148 -4.881 354 2HD1 ILE 45 2HD1 ILE 45 0.014 -4.396 -4.850 355 3HD1 ILE 45 3HD1 ILE 45 -1.686 -4.841 -4.697 356 H ARG 46 H ARG 46 -1.509 -4.336 -10.730 357 HA ARG 46 HA ARG 46 1.156 -3.195 -10.996 358 1HB ARG 46 2HB ARG 46 -1.234 -3.213 -12.838 359 2HB ARG 46 1HB ARG 46 0.244 -2.316 -13.179 360 1HG ARG 46 2HG ARG 46 1.528 -4.382 -13.137 361 2HG ARG 46 1HG ARG 46 0.071 -5.293 -12.745 362 1HD ARG 46 2HD ARG 46 -0.905 -4.748 -14.872 363 2HD ARG 46 1HD ARG 46 0.437 -3.666 -15.253 364 HE ARG 46 HE ARG 46 1.814 -5.850 -15.012 365 1HH1 ARG 46 1HH1 ARG 46 -1.402 -5.593 -16.384 366 2HH1 ARG 46 2HH1 ARG 46 -1.188 -6.964 -17.443 367 1HH2 ARG 46 1HH2 ARG 46 2.095 -7.637 -16.393 368 2HH2 ARG 46 2HH2 ARG 46 0.794 -8.127 -17.439 369 H LEU 47 H LEU 47 1.368 -1.661 -9.542 370 HA LEU 47 HA LEU 47 -0.642 0.441 -9.300 371 1HB LEU 47 2HB LEU 47 0.079 -0.584 -7.201 372 2HB LEU 47 1HB LEU 47 1.755 -0.253 -7.589 373 HG LEU 47 HG LEU 47 1.295 2.169 -7.450 374 1HD1 LEU 47 1HD1 LEU 47 -1.447 1.282 -6.565 375 2HD1 LEU 47 2HD1 LEU 47 -1.055 2.171 -8.036 376 3HD1 LEU 47 3HD1 LEU 47 -0.823 2.928 -6.460 377 1HD2 LEU 47 1HD2 LEU 47 2.149 0.981 -5.503 378 2HD2 LEU 47 2HD2 LEU 47 0.505 0.587 -5.006 379 3HD2 LEU 47 3HD2 LEU 47 1.043 2.266 -5.015 380 H THR 48 H THR 48 -0.305 1.839 -10.893 381 HA THR 48 HA THR 48 2.464 2.627 -11.457 382 HB THR 48 HB THR 48 1.541 3.179 -13.757 383 HG1 THR 48 1HG THR 48 -0.664 1.742 -12.641 384 1HG2 THR 48 1HG2 THR 48 1.639 0.849 -14.506 385 2HG2 THR 48 2HG2 THR 48 1.416 0.296 -12.848 386 3HG2 THR 48 3HG2 THR 48 2.883 1.166 -13.295 387 H MET 49 H MET 49 2.942 4.653 -10.940 388 HA MET 49 HA MET 49 0.684 6.469 -10.448 389 1HB MET 49 2HB MET 49 3.300 6.236 -8.954 390 2HB MET 49 1HB MET 49 2.108 7.499 -8.679 391 1HG MET 49 2HG MET 49 1.113 6.183 -7.210 392 2HG MET 49 1HG MET 49 0.704 5.082 -8.524 393 1HE MET 49 1HE MET 49 4.307 4.670 -5.679 394 2HE MET 49 2HE MET 49 2.993 5.832 -5.490 395 3HE MET 49 3HE MET 49 4.163 6.027 -6.796 396 H LYS 50 H LYS 50 1.231 8.799 -10.549 397 HA LYS 50 HA LYS 50 3.331 9.320 -12.541 398 1HB LYS 50 2HB LYS 50 0.912 9.178 -13.440 399 2HB LYS 50 1HB LYS 50 0.647 10.686 -12.585 400 1HG LYS 50 2HG LYS 50 2.820 10.364 -14.635 401 2HG LYS 50 1HG LYS 50 1.173 10.829 -15.059 402 1HD LYS 50 2HD LYS 50 1.409 12.737 -13.432 403 2HD LYS 50 1HD LYS 50 3.120 12.320 -13.305 404 1HE LYS 50 2HE LYS 50 1.692 13.025 -15.867 405 2HE LYS 50 1HE LYS 50 2.681 14.137 -14.923 406 1HZ LYS 50 1HZ LYS 50 3.715 11.587 -16.050 407 2HZ LYS 50 2HZ LYS 50 4.612 12.862 -15.371 408 3HZ LYS 50 3HZ LYS 50 3.817 13.075 -16.851 409 H LEU 51 H LEU 51 4.731 10.324 -11.215 410 HA LEU 51 HA LEU 51 3.735 12.522 -9.576 411 1HB LEU 51 2HB LEU 51 5.836 12.458 -8.399 412 2HB LEU 51 1HB LEU 51 5.153 10.848 -8.451 413 HG LEU 51 HG LEU 51 6.801 10.666 -10.562 414 1HD1 LEU 51 1HD1 LEU 51 7.641 12.944 -10.359 415 2HD1 LEU 51 2HD1 LEU 51 8.921 11.773 -10.038 416 3HD1 LEU 51 3HD1 LEU 51 8.145 12.622 -8.700 417 1HD2 LEU 51 1HD2 LEU 51 7.609 10.353 -7.675 418 2HD2 LEU 51 2HD2 LEU 51 8.388 9.581 -9.057 419 3HD2 LEU 51 3HD2 LEU 51 6.725 9.169 -8.637 420 H ASP 52 H ASP 52 3.821 14.491 -10.390 421 HA ASP 52 HA ASP 52 5.999 15.033 -12.311 422 1HB ASP 52 2HB ASP 52 3.641 15.236 -13.223 423 2HB ASP 52 1HB ASP 52 3.430 16.610 -12.138 424 H GLY 53 H GLY 53 7.132 15.217 -10.222 425 1HA GLY 53 2HA GLY 53 8.188 17.503 -9.543 426 2HA GLY 53 1HA GLY 53 6.621 17.694 -8.759 427 H ASP 54 H ASP 54 6.405 16.972 -6.790 428 HA ASP 54 HA ASP 54 8.080 14.739 -5.856 429 1HB ASP 54 2HB ASP 54 8.873 17.119 -5.085 430 2HB ASP 54 1HB ASP 54 7.472 17.048 -4.020 431 H ILE 55 H ILE 55 5.462 14.782 -6.844 432 HA ILE 55 HA ILE 55 3.852 14.255 -4.489 433 HB ILE 55 HB ILE 55 1.889 15.213 -5.902 434 1HG1 ILE 55 2HG1 ILE 55 2.720 17.329 -7.145 435 2HG1 ILE 55 1HG1 ILE 55 4.276 16.517 -7.209 436 1HG2 ILE 55 1HG2 ILE 55 2.583 16.109 -3.770 437 2HG2 ILE 55 2HG2 ILE 55 2.198 17.421 -4.885 438 3HG2 ILE 55 3HG2 ILE 55 3.882 17.017 -4.545 439 1HD1 ILE 55 1HD1 ILE 55 3.037 16.239 -9.280 440 2HD1 ILE 55 2HD1 ILE 55 1.705 15.491 -8.398 441 3HD1 ILE 55 3HD1 ILE 55 3.272 14.688 -8.474 442 H VAL 56 H VAL 56 2.964 12.327 -4.605 443 HA VAL 56 HA VAL 56 2.867 10.880 -7.101 444 HB VAL 56 HB VAL 56 1.565 10.071 -4.496 445 1HG1 VAL 56 1HG1 VAL 56 2.445 8.465 -6.893 446 2HG1 VAL 56 2HG1 VAL 56 0.782 8.874 -6.476 447 3HG1 VAL 56 3HG1 VAL 56 1.719 7.815 -5.423 448 1HG2 VAL 56 1HG2 VAL 56 3.577 8.738 -4.062 449 2HG2 VAL 56 2HG2 VAL 56 3.941 10.463 -4.114 450 3HG2 VAL 56 3HG2 VAL 56 4.342 9.437 -5.491 451 H GLU 57 H GLU 57 1.538 12.181 -8.381 452 HA GLU 57 HA GLU 57 -0.971 13.121 -7.324 453 1HB GLU 57 2HB GLU 57 0.637 14.285 -9.049 454 2HB GLU 57 1HB GLU 57 -0.244 13.318 -10.221 455 1HG GLU 57 2HG GLU 57 -1.393 15.371 -8.346 456 2HG GLU 57 1HG GLU 57 -1.212 15.509 -10.094 457 H ASP 58 H ASP 58 -0.103 11.201 -10.227 458 HA ASP 58 HA ASP 58 -2.847 10.154 -10.137 459 1HB ASP 58 2HB ASP 58 -1.983 11.032 -12.302 460 2HB ASP 58 1HB ASP 58 -0.775 9.749 -12.299 461 H ALA 59 H ALA 59 -3.325 7.974 -10.091 462 HA ALA 59 HA ALA 59 -1.172 6.058 -9.669 463 1HB ALA 59 1HB ALA 59 -1.617 6.921 -7.424 464 2HB ALA 59 2HB ALA 59 -2.128 5.239 -7.571 465 3HB ALA 59 3HB ALA 59 -3.327 6.531 -7.609 466 H LYS 60 H LYS 60 -1.641 4.309 -10.809 467 HA LYS 60 HA LYS 60 -4.480 3.678 -11.309 468 1HB LYS 60 2HB LYS 60 -2.133 3.388 -13.206 469 2HB LYS 60 1HB LYS 60 -3.779 2.860 -13.538 470 1HG LYS 60 2HG LYS 60 -3.069 5.714 -12.923 471 2HG LYS 60 1HG LYS 60 -3.097 5.055 -14.559 472 1HD LYS 60 2HD LYS 60 -5.409 4.662 -14.480 473 2HD LYS 60 1HD LYS 60 -5.461 4.816 -12.724 474 1HE LYS 60 2HE LYS 60 -6.379 6.759 -14.087 475 2HE LYS 60 1HE LYS 60 -5.230 7.150 -12.810 476 1HZ LYS 60 1HZ LYS 60 -3.551 7.580 -14.333 477 2HZ LYS 60 2HZ LYS 60 -4.926 8.246 -15.081 478 3HZ LYS 60 3HZ LYS 60 -4.328 6.745 -15.595 479 H PHE 61 H PHE 61 -4.943 1.865 -10.257 480 HA PHE 61 HA PHE 61 -2.808 -0.116 -9.952 481 1HB PHE 61 2HB PHE 61 -4.158 -0.606 -7.717 482 2HB PHE 61 1HB PHE 61 -2.884 0.604 -7.785 483 HD1 PHE 61 1HD PHE 61 -3.333 2.877 -7.388 484 HD2 PHE 61 2HD PHE 61 -6.556 0.135 -7.840 485 HE1 PHE 61 1HE PHE 61 -4.901 4.597 -6.600 486 HE2 PHE 61 2HE PHE 61 -8.132 1.854 -7.054 487 HZ PHE 61 HZ PHE 61 -7.305 4.088 -6.434 488 H GLU 62 H GLU 62 -3.529 -1.383 -11.637 489 HA GLU 62 HA GLU 62 -6.076 -2.753 -11.158 490 1HB GLU 62 2HB GLU 62 -5.517 -2.044 -13.499 491 2HB GLU 62 1HB GLU 62 -4.149 -3.150 -13.458 492 1HG GLU 62 2HG GLU 62 -5.696 -5.019 -13.077 493 2HG GLU 62 1HG GLU 62 -7.052 -3.900 -13.193 494 H GLY 63 H GLY 63 -5.778 -4.124 -9.519 495 1HA GLY 63 2HA GLY 63 -3.373 -5.834 -9.580 496 2HA GLY 63 1HA GLY 63 -4.134 -5.276 -8.095 497 H GLU 64 H GLU 64 -3.991 -7.760 -10.405 498 HA GLU 64 HA GLU 64 -6.686 -8.697 -9.779 499 1HB GLU 64 2HB GLU 64 -5.716 -8.752 -12.144 500 2HB GLU 64 1HB GLU 64 -4.675 -10.052 -11.580 501 1HG GLU 64 2HG GLU 64 -6.501 -11.482 -11.187 502 2HG GLU 64 1HG GLU 64 -7.662 -10.165 -11.340 503 H GLY 65 H GLY 65 -6.670 -9.442 -7.763 504 1HA GLY 65 2HA GLY 65 -5.003 -11.705 -7.092 505 2HA GLY 65 1HA GLY 65 -4.632 -10.233 -6.203 506 H CYS 66 H CYS 66 -5.438 -10.387 -4.229 507 HA CYS 66 HA CYS 66 -8.111 -11.571 -3.978 508 1HB CYS 66 2HB CYS 66 -7.154 -12.143 -1.548 509 2HB CYS 66 1HB CYS 66 -7.034 -13.245 -2.911 510 HG CYS 66 HG CYS 66 -4.375 -12.354 -3.526 511 H SER 67 H SER 67 -8.862 -11.087 -1.543 512 HA SER 67 HA SER 67 -9.976 -8.621 -1.758 513 1HB SER 67 2HB SER 67 -10.396 -8.879 0.777 514 2HB SER 67 1HB SER 67 -11.023 -10.114 -0.312 515 HG SER 67 HG SER 67 -9.996 -11.397 1.010 516 H ILE 68 H ILE 68 -7.168 -9.336 0.373 517 HA ILE 68 HA ILE 68 -7.179 -6.662 1.370 518 HB ILE 68 HB ILE 68 -5.402 -7.192 2.750 519 1HG1 ILE 68 2HG1 ILE 68 -3.757 -7.831 1.056 520 2HG1 ILE 68 1HG1 ILE 68 -3.767 -8.990 2.379 521 1HG2 ILE 68 1HG2 ILE 68 -5.816 -9.455 3.623 522 2HG2 ILE 68 2HG2 ILE 68 -6.761 -9.817 2.179 523 3HG2 ILE 68 3HG2 ILE 68 -7.303 -8.563 3.294 524 1HD1 ILE 68 1HD1 ILE 68 -5.042 -9.349 -0.317 525 2HD1 ILE 68 2HD1 ILE 68 -5.081 -10.521 1.002 526 3HD1 ILE 68 3HD1 ILE 68 -3.545 -10.093 0.245 527 H SER 69 H SER 69 -5.724 -8.172 -1.370 528 HA SER 69 HA SER 69 -3.577 -6.342 -1.748 529 1HB SER 69 2HB SER 69 -4.986 -7.783 -3.989 530 2HB SER 69 1HB SER 69 -3.266 -7.411 -3.822 531 HG SER 69 HG SER 69 -4.003 -8.873 -1.745 532 H MET 70 H MET 70 -6.822 -6.659 -3.035 533 HA MET 70 HA MET 70 -6.771 -4.174 -4.469 534 1HB MET 70 2HB MET 70 -9.000 -6.049 -3.700 535 2HB MET 70 1HB MET 70 -9.302 -4.536 -4.540 536 1HG MET 70 2HG MET 70 -7.875 -5.286 -6.383 537 2HG MET 70 1HG MET 70 -7.608 -6.813 -5.543 538 1HE MET 70 1HE MET 70 -8.423 -8.012 -7.854 539 2HE MET 70 2HE MET 70 -8.751 -6.432 -8.567 540 3HE MET 70 3HE MET 70 -9.989 -7.687 -8.596 541 H ALA 71 H ALA 71 -7.326 -5.076 -1.215 542 HA ALA 71 HA ALA 71 -8.988 -2.764 -0.611 543 1HB ALA 71 1HB ALA 71 -9.469 -4.886 0.493 544 2HB ALA 71 2HB ALA 71 -9.041 -3.642 1.666 545 3HB ALA 71 3HB ALA 71 -7.865 -4.878 1.223 546 H SER 72 H SER 72 -5.845 -4.038 0.512 547 HA SER 72 HA SER 72 -5.438 -1.687 2.124 548 1HB SER 72 2HB SER 72 -3.597 -3.998 1.486 549 2HB SER 72 1HB SER 72 -3.274 -2.756 2.697 550 HG SER 72 HG SER 72 -5.195 -3.406 3.769 551 H ALA 73 H ALA 73 -4.166 -2.841 -0.959 552 HA ALA 73 HA ALA 73 -2.070 -0.971 -1.172 553 1HB ALA 73 1HB ALA 73 -2.034 -1.518 -3.543 554 2HB ALA 73 2HB ALA 73 -3.596 -2.323 -3.394 555 3HB ALA 73 3HB ALA 73 -2.183 -2.977 -2.564 556 H SER 74 H SER 74 -5.380 -0.928 -2.514 557 HA SER 74 HA SER 74 -5.152 1.639 -3.661 558 1HB SER 74 2HB SER 74 -7.678 0.251 -2.750 559 2HB SER 74 1HB SER 74 -7.530 1.491 -3.998 560 HG SER 74 HG SER 74 -6.080 -0.089 -5.068 561 H MET 75 H MET 75 -5.798 0.555 -0.432 562 HA MET 75 HA MET 75 -7.024 2.974 0.488 563 1HB MET 75 2HB MET 75 -7.303 0.796 1.646 564 2HB MET 75 1HB MET 75 -5.597 0.823 2.071 565 1HG MET 75 2HG MET 75 -6.905 1.515 3.960 566 2HG MET 75 1HG MET 75 -5.967 2.881 3.357 567 1HE MET 75 1HE MET 75 -9.525 1.240 3.615 568 2HE MET 75 2HE MET 75 -9.269 1.323 1.871 569 3HE MET 75 3HE MET 75 -10.496 2.337 2.632 570 H MET 76 H MET 76 -3.774 1.552 0.850 571 HA MET 76 HA MET 76 -2.692 3.851 2.115 572 1HB MET 76 2HB MET 76 -1.384 1.523 0.716 573 2HB MET 76 1HB MET 76 -0.468 2.796 1.514 574 1HG MET 76 2HG MET 76 -2.470 0.964 2.819 575 2HG MET 76 1HG MET 76 -0.713 0.870 2.959 576 1HE MET 76 1HE MET 76 -2.031 2.085 6.493 577 2HE MET 76 2HE MET 76 -1.208 0.790 5.621 578 3HE MET 76 3HE MET 76 -2.931 1.067 5.369 579 H THR 77 H THR 77 -2.966 2.877 -1.242 580 HA THR 77 HA THR 77 -1.256 4.917 -2.253 581 HB THR 77 HB THR 77 -3.436 3.406 -3.710 582 HG1 THR 77 1HG THR 77 -1.960 1.930 -2.916 583 1HG2 THR 77 1HG2 THR 77 -2.688 5.376 -4.935 584 2HG2 THR 77 2HG2 THR 77 -2.091 3.911 -5.713 585 3HG2 THR 77 3HG2 THR 77 -1.006 4.889 -4.725 586 H GLN 78 H GLN 78 -4.507 4.901 -1.118 587 HA GLN 78 HA GLN 78 -5.456 7.160 -2.580 588 1HB GLN 78 2HB GLN 78 -6.950 5.560 -1.364 589 2HB GLN 78 1HB GLN 78 -6.345 6.207 0.155 590 1HG GLN 78 2HG GLN 78 -7.155 8.466 -0.640 591 2HG GLN 78 1HG GLN 78 -7.989 7.603 -1.932 592 1HE2 GLN 78 1HE2 GLN 78 -8.500 5.303 -0.133 593 2HE2 GLN 78 2HE2 GLN 78 -9.801 5.802 0.886 594 H ALA 79 H ALA 79 -3.956 6.665 0.566 595 HA ALA 79 HA ALA 79 -3.775 9.441 1.226 596 1HB ALA 79 1HB ALA 79 -2.248 8.689 3.005 597 2HB ALA 79 2HB ALA 79 -2.248 7.070 2.306 598 3HB ALA 79 3HB ALA 79 -3.736 7.742 2.971 599 H ILE 80 H ILE 80 -1.811 7.113 -0.456 600 HA ILE 80 HA ILE 80 0.557 8.656 -0.628 601 HB ILE 80 HB ILE 80 -0.503 6.225 -1.960 602 1HG1 ILE 80 2HG1 ILE 80 0.779 6.133 0.125 603 2HG1 ILE 80 1HG1 ILE 80 1.643 5.327 -1.183 604 1HG2 ILE 80 1HG2 ILE 80 1.368 6.106 -3.527 605 2HG2 ILE 80 2HG2 ILE 80 1.856 7.738 -3.071 606 3HG2 ILE 80 3HG2 ILE 80 0.314 7.474 -3.886 607 1HD1 ILE 80 1HD1 ILE 80 2.177 8.110 -0.182 608 2HD1 ILE 80 2HD1 ILE 80 3.049 7.286 -1.474 609 3HD1 ILE 80 3HD1 ILE 80 3.138 6.676 0.178 610 H LYS 81 H LYS 81 -2.293 8.389 -2.676 611 HA LYS 81 HA LYS 81 -1.447 10.002 -4.810 612 1HB LYS 81 2HB LYS 81 -3.494 8.587 -4.810 613 2HB LYS 81 1HB LYS 81 -4.253 9.726 -3.708 614 1HG LYS 81 2HG LYS 81 -4.134 11.470 -5.391 615 2HG LYS 81 1HG LYS 81 -3.303 10.373 -6.494 616 1HD LYS 81 2HD LYS 81 -5.262 8.921 -6.542 617 2HD LYS 81 1HD LYS 81 -6.090 9.981 -5.400 618 1HE LYS 81 2HE LYS 81 -6.875 10.441 -7.634 619 2HE LYS 81 1HE LYS 81 -5.941 11.816 -7.048 620 1HZ LYS 81 1HZ LYS 81 -4.043 11.008 -8.334 621 2HZ LYS 81 2HZ LYS 81 -5.380 11.313 -9.329 622 3HZ LYS 81 3HZ LYS 81 -4.978 9.719 -8.924 623 H GLY 82 H GLY 82 -2.112 10.781 -1.583 624 1HA GLY 82 2HA GLY 82 -2.345 13.649 -2.270 625 2HA GLY 82 1HA GLY 82 -3.136 12.929 -0.873 626 H LYS 83 H LYS 83 0.087 11.966 -1.803 627 HA LYS 83 HA LYS 83 1.152 13.537 0.445 628 1HB LYS 83 2HB LYS 83 0.766 10.804 0.528 629 2HB LYS 83 1HB LYS 83 2.455 10.945 0.063 630 1HG LYS 83 2HG LYS 83 2.262 10.777 2.465 631 2HG LYS 83 1HG LYS 83 2.865 12.373 2.019 632 1HD LYS 83 2HD LYS 83 0.590 13.284 2.264 633 2HD LYS 83 1HD LYS 83 0.018 11.688 2.753 634 1HE LYS 83 2HE LYS 83 1.496 11.743 4.694 635 2HE LYS 83 1HE LYS 83 2.106 13.321 4.195 636 1HZ LYS 83 1HZ LYS 83 -0.098 14.245 4.496 637 2HZ LYS 83 2HZ LYS 83 0.414 13.502 5.929 638 3HZ LYS 83 3HZ LYS 83 -0.713 12.726 4.927 639 H ASP 84 H ASP 84 3.792 12.968 0.292 640 HA ASP 84 HA ASP 84 4.478 13.890 -2.384 641 1HB ASP 84 2HB ASP 84 6.040 14.562 0.103 642 2HB ASP 84 1HB ASP 84 6.051 15.382 -1.454 643 H ILE 85 H ILE 85 7.021 13.727 -2.385 644 HA ILE 85 HA ILE 85 7.538 10.873 -2.262 645 HB ILE 85 HB ILE 85 8.771 13.147 -3.724 646 1HG1 ILE 85 2HG1 ILE 85 8.651 11.618 -5.587 647 2HG1 ILE 85 1HG1 ILE 85 8.334 10.260 -4.514 648 1HG2 ILE 85 1HG2 ILE 85 10.792 11.870 -4.259 649 2HG2 ILE 85 2HG2 ILE 85 10.313 10.632 -3.097 650 3HG2 ILE 85 3HG2 ILE 85 10.708 12.258 -2.540 651 1HD1 ILE 85 1HD1 ILE 85 6.166 11.224 -3.943 652 2HD1 ILE 85 2HD1 ILE 85 6.327 10.953 -5.678 653 3HD1 ILE 85 3HD1 ILE 85 6.487 12.582 -5.024 654 H GLU 86 H GLU 86 9.103 13.868 -1.085 655 HA GLU 86 HA GLU 86 11.006 12.605 0.552 656 1HB GLU 86 2HB GLU 86 9.604 15.258 0.927 657 2HB GLU 86 1HB GLU 86 10.972 14.722 1.893 658 1HG GLU 86 2HG GLU 86 12.340 14.606 -0.152 659 2HG GLU 86 1HG GLU 86 10.965 15.213 -1.078 660 H THR 87 H THR 87 7.626 13.289 1.027 661 HA THR 87 HA THR 87 7.563 12.576 3.793 662 HB THR 87 HB THR 87 5.196 12.624 1.924 663 HG1 THR 87 1HG THR 87 5.182 14.835 2.087 664 1HG2 THR 87 1HG2 THR 87 4.785 11.834 4.206 665 2HG2 THR 87 2HG2 THR 87 4.017 13.398 3.934 666 3HG2 THR 87 3HG2 THR 87 5.519 13.301 4.853 667 H ALA 88 H ALA 88 7.380 10.846 0.786 668 HA ALA 88 HA ALA 88 6.063 8.520 1.817 669 1HB ALA 88 1HB ALA 88 7.737 8.815 -0.674 670 2HB ALA 88 2HB ALA 88 6.001 9.102 -0.568 671 3HB ALA 88 3HB ALA 88 6.645 7.482 -0.301 672 H LEU 89 H LEU 89 9.433 9.426 1.188 673 HA LEU 89 HA LEU 89 10.602 6.990 1.972 674 1HB LEU 89 2HB LEU 89 11.585 9.823 1.876 675 2HB LEU 89 1HB LEU 89 12.585 8.573 2.583 676 HG LEU 89 HG LEU 89 13.273 8.944 0.307 677 1HD1 LEU 89 1HD1 LEU 89 13.044 6.700 -0.606 678 2HD1 LEU 89 2HD1 LEU 89 11.749 6.361 0.542 679 3HD1 LEU 89 3HD1 LEU 89 13.387 6.660 1.124 680 1HD2 LEU 89 1HD2 LEU 89 11.789 8.537 -1.592 681 2HD2 LEU 89 2HD2 LEU 89 11.218 9.877 -0.599 682 3HD2 LEU 89 3HD2 LEU 89 10.438 8.299 -0.485 683 H SER 90 H SER 90 9.716 9.862 3.767 684 HA SER 90 HA SER 90 10.667 9.017 6.284 685 1HB SER 90 2HB SER 90 8.485 11.036 5.687 686 2HB SER 90 1HB SER 90 9.427 10.912 7.174 687 HG SER 90 HG SER 90 10.206 11.842 4.632 688 H MET 91 H MET 91 7.791 8.426 4.449 689 HA MET 91 HA MET 91 6.122 7.514 6.540 690 1HB MET 91 2HB MET 91 5.240 8.093 4.331 691 2HB MET 91 1HB MET 91 6.144 6.773 3.606 692 1HG MET 91 2HG MET 91 4.821 5.159 4.858 693 2HG MET 91 1HG MET 91 3.933 6.472 5.628 694 1HE MET 91 1HE MET 91 1.994 8.034 2.610 695 2HE MET 91 2HE MET 91 3.563 8.529 3.246 696 3HE MET 91 3HE MET 91 2.262 8.085 4.352 697 H SER 92 H SER 92 8.707 6.041 4.718 698 HA SER 92 HA SER 92 8.229 3.404 5.761 699 1HB SER 92 2HB SER 92 10.737 4.473 4.467 700 2HB SER 92 1HB SER 92 10.246 2.786 4.624 701 HG SER 92 HG SER 92 8.743 3.041 3.099 702 H LYS 93 H LYS 93 10.416 6.145 6.322 703 HA LYS 93 HA LYS 93 11.960 4.992 8.358 704 1HB LYS 93 2HB LYS 93 12.423 7.228 7.397 705 2HB LYS 93 1HB LYS 93 11.008 7.868 8.219 706 1HG LYS 93 2HG LYS 93 13.136 6.538 9.832 707 2HG LYS 93 1HG LYS 93 13.409 8.171 9.225 708 1HD LYS 93 2HD LYS 93 11.407 8.955 10.350 709 2HD LYS 93 1HD LYS 93 11.042 7.317 10.895 710 1HE LYS 93 2HE LYS 93 13.627 8.678 11.602 711 2HE LYS 93 1HE LYS 93 12.165 8.934 12.550 712 1HZ LYS 93 1HZ LYS 93 13.739 7.133 13.331 713 2HZ LYS 93 2HZ LYS 93 13.212 6.213 12.005 714 3HZ LYS 93 3HZ LYS 93 12.109 6.695 13.195 715 H ILE 94 H ILE 94 8.783 6.535 8.506 716 HA ILE 94 HA ILE 94 8.577 6.026 11.345 717 HB ILE 94 HB ILE 94 7.524 8.043 10.326 718 1HG1 ILE 94 2HG1 ILE 94 5.636 6.140 11.728 719 2HG1 ILE 94 1HG1 ILE 94 6.802 7.200 12.513 720 1HG2 ILE 94 1HG2 ILE 94 5.392 7.819 9.153 721 2HG2 ILE 94 2HG2 ILE 94 5.558 6.064 9.182 722 3HG2 ILE 94 3HG2 ILE 94 6.700 7.043 8.260 723 1HD1 ILE 94 1HD1 ILE 94 4.419 8.078 10.895 724 2HD1 ILE 94 2HD1 ILE 94 5.587 9.145 11.672 725 3HD1 ILE 94 3HD1 ILE 94 4.556 8.104 12.652 726 H PHE 95 H PHE 95 7.666 4.413 8.373 727 HA PHE 95 HA PHE 95 5.631 2.750 9.350 728 1HB PHE 95 2HB PHE 95 6.362 2.906 6.950 729 2HB PHE 95 1HB PHE 95 7.759 1.917 7.365 730 HD1 PHE 95 1HD PHE 95 4.106 1.959 7.015 731 HD2 PHE 95 2HD PHE 95 7.550 -0.445 7.692 732 HE1 PHE 95 1HE PHE 95 2.762 -0.064 6.630 733 HE2 PHE 95 2HE PHE 95 6.213 -2.476 7.307 734 HZ PHE 95 HZ PHE 95 3.816 -2.287 6.775 735 H SER 96 H SER 96 9.148 2.252 9.376 736 HA SER 96 HA SER 96 8.921 -0.187 10.885 737 1HB SER 96 2HB SER 96 11.448 0.086 11.041 738 2HB SER 96 1HB SER 96 10.790 -0.035 9.410 739 HG SER 96 HG SER 96 11.988 1.715 9.193 740 H ASP 97 H ASP 97 9.632 3.181 11.514 741 HA ASP 97 HA ASP 97 10.560 3.040 14.139 742 1HB ASP 97 2HB ASP 97 10.519 5.050 12.604 743 2HB ASP 97 1HB ASP 97 8.815 5.232 13.003 744 H MET 98 H MET 98 7.242 3.610 12.985 745 HA MET 98 HA MET 98 5.995 3.610 15.492 746 1HB MET 98 2HB MET 98 4.900 4.478 13.498 747 2HB MET 98 1HB MET 98 4.892 2.881 12.772 748 1HG MET 98 2HG MET 98 3.474 3.390 15.358 749 2HG MET 98 1HG MET 98 2.729 3.812 13.820 750 1HE MET 98 1HE MET 98 2.483 0.327 12.044 751 2HE MET 98 2HE MET 98 3.807 1.484 11.916 752 3HE MET 98 3HE MET 98 2.138 2.053 11.925 753 H MET 99 H MET 99 6.936 0.970 13.394 754 HA MET 99 HA MET 99 5.293 -0.986 14.665 755 1HB MET 99 2HB MET 99 6.853 -0.871 12.356 756 2HB MET 99 1HB MET 99 7.641 -2.079 13.361 757 1HG MET 99 2HG MET 99 4.758 -2.079 12.497 758 2HG MET 99 1HG MET 99 6.040 -3.116 11.876 759 1HE MET 99 1HE MET 99 3.311 -4.298 12.840 760 2HE MET 99 2HE MET 99 3.830 -5.658 13.834 761 3HE MET 99 3HE MET 99 4.653 -5.314 12.313 762 H GLN 100 H GLN 100 8.281 0.477 15.430 763 HA GLN 100 HA GLN 100 9.037 -1.719 17.226 764 1HB GLN 100 2HB GLN 100 10.611 0.714 16.347 765 2HB GLN 100 1HB GLN 100 11.216 -0.567 17.390 766 1HG GLN 100 2HG GLN 100 11.044 -2.172 15.613 767 2HG GLN 100 1HG GLN 100 10.263 -0.988 14.568 768 1HE2 GLN 100 1HE2 GLN 100 12.983 -0.261 16.665 769 2HE2 GLN 100 2HE2 GLN 100 14.128 0.000 15.388 770 H GLY 101 H GLY 101 7.048 0.752 17.417 771 1HA GLY 101 2HA GLY 101 7.648 1.181 20.268 772 2HA GLY 101 1HA GLY 101 7.362 2.578 19.240 773 H LYS 102 H LYS 102 5.310 1.930 17.718 774 HA LYS 102 HA LYS 102 3.068 1.976 17.627 775 1HB LYS 102 2HB LYS 102 3.454 -0.265 19.589 776 2HB LYS 102 1HB LYS 102 1.852 0.231 19.051 777 1HG LYS 102 2HG LYS 102 2.585 -0.145 16.707 778 2HG LYS 102 1HG LYS 102 4.105 -0.782 17.333 779 1HD LYS 102 2HD LYS 102 2.989 -2.599 18.399 780 2HD LYS 102 1HD LYS 102 1.404 -1.889 18.076 781 1HE LYS 102 2HE LYS 102 3.356 -2.858 15.987 782 2HE LYS 102 1HE LYS 102 1.921 -3.727 16.533 783 1HZ LYS 102 1HZ LYS 102 0.524 -2.023 15.664 784 2HZ LYS 102 2HZ LYS 102 1.606 -2.463 14.436 785 3HZ LYS 102 3HZ LYS 102 1.845 -1.029 15.301 786 H GLU 103 H GLU 103 2.753 4.012 18.287 787 HA GLU 103 HA GLU 103 1.261 4.389 20.693 788 1HB GLU 103 2HB GLU 103 3.533 4.543 21.606 789 2HB GLU 103 1HB GLU 103 3.947 5.760 20.407 790 1HG GLU 103 2HG GLU 103 2.189 7.226 21.391 791 2HG GLU 103 1HG GLU 103 1.980 6.028 22.666 792 H TYR 104 H TYR 104 2.645 5.519 17.721 793 HA TYR 104 HA TYR 104 0.629 7.513 17.398 794 1HB TYR 104 2HB TYR 104 2.317 9.302 16.928 795 2HB TYR 104 1HB TYR 104 2.237 8.830 18.620 796 HD1 TYR 104 1HD TYR 104 4.244 8.609 15.533 797 HD2 TYR 104 2HD TYR 104 4.114 7.831 19.712 798 HE1 TYR 104 1HE TYR 104 6.667 8.199 15.528 799 HE2 TYR 104 2HE TYR 104 6.533 7.420 19.718 800 HH TYR 104 HH TYR 104 8.527 8.093 16.959 801 H ASP 105 H ASP 105 0.399 8.102 15.323 802 HA ASP 105 HA ASP 105 2.321 7.273 13.336 803 1HB ASP 105 2HB ASP 105 0.542 5.673 13.042 804 2HB ASP 105 1HB ASP 105 -0.685 6.931 13.171 805 H ASP 106 H ASP 106 2.537 8.744 11.750 806 HA ASP 106 HA ASP 106 2.326 11.425 12.362 807 1HB ASP 106 2HB ASP 106 3.853 10.535 10.643 808 2HB ASP 106 1HB ASP 106 2.478 10.226 9.589 809 H SER 107 H SER 107 0.086 9.422 10.494 810 HA SER 107 HA SER 107 -1.760 11.717 10.401 811 1HB SER 107 2HB SER 107 -1.106 10.794 8.184 812 2HB SER 107 1HB SER 107 -1.780 9.234 8.661 813 HG SER 107 HG SER 107 -3.739 10.743 9.123 814 H ILE 108 H ILE 108 -1.127 9.035 12.139 815 HA ILE 108 HA ILE 108 -2.245 7.550 13.407 816 HB ILE 108 HB ILE 108 -4.424 9.650 13.598 817 1HG1 ILE 108 2HG1 ILE 108 -3.074 10.143 15.805 818 2HG1 ILE 108 1HG1 ILE 108 -1.727 9.459 14.906 819 1HG2 ILE 108 1HG2 ILE 108 -5.007 7.457 14.517 820 2HG2 ILE 108 2HG2 ILE 108 -4.833 8.658 15.797 821 3HG2 ILE 108 3HG2 ILE 108 -3.549 7.482 15.511 822 1HD1 ILE 108 1HD1 ILE 108 -2.039 11.155 13.170 823 2HD1 ILE 108 2HD1 ILE 108 -1.728 11.868 14.753 824 3HD1 ILE 108 3HD1 ILE 108 -3.367 11.849 14.101 825 H ASP 109 H ASP 109 -2.467 6.940 10.810 826 HA ASP 109 HA ASP 109 -5.253 5.980 10.578 827 1HB ASP 109 2HB ASP 109 -4.361 7.353 8.644 828 2HB ASP 109 1HB ASP 109 -3.203 6.058 8.352 829 H LEU 110 H LEU 110 -4.955 4.265 11.981 830 HA LEU 110 HA LEU 110 -2.858 2.337 11.249 831 1HB LEU 110 2HB LEU 110 -4.128 2.869 13.938 832 2HB LEU 110 1HB LEU 110 -2.887 1.669 13.621 833 HG LEU 110 HG LEU 110 -2.446 4.602 13.099 834 1HD1 LEU 110 1HD1 LEU 110 -2.981 4.382 15.450 835 2HD1 LEU 110 2HD1 LEU 110 -1.258 4.694 15.238 836 3HD1 LEU 110 3HD1 LEU 110 -1.821 3.064 15.611 837 1HD2 LEU 110 1HD2 LEU 110 -0.581 2.267 13.480 838 2HD2 LEU 110 2HD2 LEU 110 -0.082 3.945 13.264 839 3HD2 LEU 110 3HD2 LEU 110 -0.926 3.102 11.964 840 H GLY 111 H GLY 111 -5.864 2.737 10.564 841 1HA GLY 111 2HA GLY 111 -7.194 0.433 11.593 842 2HA GLY 111 1HA GLY 111 -7.722 1.414 10.232 843 H ASP 112 H ASP 112 -6.145 1.140 8.257 844 HA ASP 112 HA ASP 112 -6.391 -1.541 7.394 845 1HB ASP 112 2HB ASP 112 -6.456 0.317 5.815 846 2HB ASP 112 1HB ASP 112 -4.790 0.735 6.204 847 H ILE 113 H ILE 113 -3.717 0.296 8.739 848 HA ILE 113 HA ILE 113 -1.614 -1.448 8.164 849 HB ILE 113 HB ILE 113 -1.981 0.312 10.596 850 1HG1 ILE 113 2HG1 ILE 113 -0.511 0.758 7.985 851 2HG1 ILE 113 1HG1 ILE 113 -1.998 1.556 8.485 852 1HG2 ILE 113 1HG2 ILE 113 0.442 0.145 10.883 853 2HG2 ILE 113 2HG2 ILE 113 0.530 -0.989 9.537 854 3HG2 ILE 113 3HG2 ILE 113 -0.323 -1.439 11.014 855 1HD1 ILE 113 1HD1 ILE 113 -0.091 3.018 8.760 856 2HD1 ILE 113 2HD1 ILE 113 0.693 1.830 9.801 857 3HD1 ILE 113 3HD1 ILE 113 -0.793 2.620 10.328 858 H GLU 114 H GLU 114 -3.945 -1.439 10.815 859 HA GLU 114 HA GLU 114 -2.849 -3.487 12.366 860 1HB GLU 114 2HB GLU 114 -4.749 -1.951 12.995 861 2HB GLU 114 1HB GLU 114 -5.796 -2.939 11.987 862 1HG GLU 114 2HG GLU 114 -6.066 -3.592 14.271 863 2HG GLU 114 1HG GLU 114 -5.250 -4.892 13.403 864 H ALA 115 H ALA 115 -5.054 -3.590 9.611 865 HA ALA 115 HA ALA 115 -5.450 -6.412 9.687 866 1HB ALA 115 1HB ALA 115 -5.869 -4.469 7.418 867 2HB ALA 115 2HB ALA 115 -7.065 -4.910 8.638 868 3HB ALA 115 3HB ALA 115 -6.484 -6.121 7.494 869 H LEU 116 H LEU 116 -3.409 -4.263 7.743 870 HA LEU 116 HA LEU 116 -2.328 -6.167 6.018 871 1HB LEU 116 2HB LEU 116 -2.132 -3.715 5.741 872 2HB LEU 116 1HB LEU 116 -0.999 -3.666 7.076 873 HG LEU 116 HG LEU 116 0.547 -5.112 5.743 874 1HD1 LEU 116 1HD1 LEU 116 -1.405 -4.566 3.512 875 2HD1 LEU 116 2HD1 LEU 116 -1.102 -6.134 4.262 876 3HD1 LEU 116 3HD1 LEU 116 0.175 -5.333 3.345 877 1HD2 LEU 116 1HD2 LEU 116 1.284 -3.328 4.237 878 2HD2 LEU 116 2HD2 LEU 116 0.857 -2.694 5.827 879 3HD2 LEU 116 3HD2 LEU 116 -0.252 -2.496 4.470 880 H GLN 117 H GLN 117 -1.222 -5.110 9.211 881 HA GLN 117 HA GLN 117 1.228 -6.442 9.311 882 1HB GLN 117 2HB GLN 117 -0.731 -5.753 11.493 883 2HB GLN 117 1HB GLN 117 0.861 -6.426 11.809 884 1HG GLN 117 2HG GLN 117 1.943 -4.515 10.934 885 2HG GLN 117 1HG GLN 117 0.436 -3.889 10.261 886 1HE2 GLN 117 1HE2 GLN 117 -1.110 -4.620 12.602 887 2HE2 GLN 117 2HE2 GLN 117 -0.710 -3.469 13.833 888 H GLY 118 H GLY 118 -1.994 -7.619 10.241 889 1HA GLY 118 2HA GLY 118 -1.137 -10.104 11.271 890 2HA GLY 118 1HA GLY 118 -2.757 -9.742 10.689 891 H VAL 119 H VAL 119 -2.265 -9.155 8.072 892 HA VAL 119 HA VAL 119 -2.155 -11.681 6.846 893 HB VAL 119 HB VAL 119 -1.725 -8.974 5.554 894 1HG1 VAL 119 1HG1 VAL 119 -2.636 -10.006 3.544 895 2HG1 VAL 119 2HG1 VAL 119 -2.755 -11.552 4.382 896 3HG1 VAL 119 3HG1 VAL 119 -1.173 -10.834 4.075 897 1HG2 VAL 119 1HG2 VAL 119 -3.763 -8.984 6.889 898 2HG2 VAL 119 2HG2 VAL 119 -4.298 -10.453 6.075 899 3HG2 VAL 119 3HG2 VAL 119 -4.137 -8.951 5.166 900 H SER 120 H SER 120 0.268 -9.281 7.509 901 HA SER 120 HA SER 120 2.179 -9.923 5.583 902 1HB SER 120 2HB SER 120 2.490 -8.592 8.268 903 2HB SER 120 1HB SER 120 3.756 -8.660 7.043 904 HG SER 120 HG SER 120 1.177 -7.509 6.706 905 H LYS 121 H LYS 121 1.339 -12.030 8.099 906 HA LYS 121 HA LYS 121 4.163 -12.752 8.457 907 1HB LYS 121 2HB LYS 121 3.835 -13.067 10.872 908 2HB LYS 121 1HB LYS 121 3.629 -11.397 10.371 909 1HG LYS 121 2HG LYS 121 1.210 -11.645 10.499 910 2HG LYS 121 1HG LYS 121 1.405 -13.334 10.976 911 1HD LYS 121 2HD LYS 121 2.420 -10.933 12.502 912 2HD LYS 121 1HD LYS 121 1.009 -11.906 12.923 913 1HE LYS 121 2HE LYS 121 2.407 -13.849 13.272 914 2HE LYS 121 1HE LYS 121 3.830 -12.957 12.735 915 1HZ LYS 121 1HZ LYS 121 2.217 -12.107 15.070 916 2HZ LYS 121 2HZ LYS 121 3.785 -11.622 14.651 917 3HZ LYS 121 3HZ LYS 121 3.508 -13.196 15.215 918 H PHE 122 H PHE 122 0.826 -13.771 8.461 919 HA PHE 122 HA PHE 122 1.313 -16.506 9.000 920 1HB PHE 122 2HB PHE 122 -0.836 -15.202 7.315 921 2HB PHE 122 1HB PHE 122 -0.818 -16.905 7.756 922 HD1 PHE 122 1HD PHE 122 -2.094 -13.789 8.571 923 HD2 PHE 122 2HD PHE 122 -0.556 -17.322 10.365 924 HE1 PHE 122 1HE PHE 122 -3.295 -13.252 10.643 925 HE2 PHE 122 2HE PHE 122 -1.753 -16.797 12.444 926 HZ PHE 122 HZ PHE 122 -3.131 -14.756 12.590 927 HA PRO 123 HA PRO 123 3.784 -17.461 5.408 928 1HB PRO 123 2HB PRO 123 2.693 -20.191 5.868 929 2HB PRO 123 1HB PRO 123 4.370 -19.661 5.701 930 1HG PRO 123 2HG PRO 123 3.387 -20.310 8.086 931 2HG PRO 123 1HG PRO 123 4.502 -18.942 7.903 932 1HD PRO 123 2HD PRO 123 1.534 -18.937 8.278 933 2HD PRO 123 1HD PRO 123 2.758 -17.832 8.939 934 H ALA 124 H ALA 124 0.413 -18.015 5.759 935 HA ALA 124 HA ALA 124 0.067 -18.828 2.991 936 1HB ALA 124 1HB ALA 124 -2.254 -19.182 3.566 937 2HB ALA 124 2HB ALA 124 -1.998 -18.439 5.145 938 3HB ALA 124 3HB ALA 124 -1.206 -19.965 4.750 939 H ARG 125 H ARG 125 0.054 -15.847 4.801 940 HA ARG 125 HA ARG 125 -1.400 -14.624 2.549 941 1HB ARG 125 2HB ARG 125 -1.781 -14.135 5.493 942 2HB ARG 125 1HB ARG 125 -2.178 -12.896 4.312 943 1HG ARG 125 2HG ARG 125 -4.208 -13.897 4.555 944 2HG ARG 125 1HG ARG 125 -3.561 -14.833 3.209 945 1HD ARG 125 2HD ARG 125 -4.475 -16.419 4.685 946 2HD ARG 125 1HD ARG 125 -2.733 -16.486 4.949 947 HE ARG 125 HE ARG 125 -3.167 -15.039 6.938 948 1HH1 ARG 125 1HH1 ARG 125 -5.664 -17.130 5.655 949 2HH1 ARG 125 2HH1 ARG 125 -6.511 -17.259 7.172 950 1HH2 ARG 125 1HH2 ARG 125 -4.272 -15.235 8.938 951 2HH2 ARG 125 2HH2 ARG 125 -5.714 -16.197 9.034 952 H ILE 126 H ILE 126 1.476 -14.991 3.698 953 HA ILE 126 HA ILE 126 2.282 -12.357 4.503 954 HB ILE 126 HB ILE 126 3.474 -14.226 5.458 955 1HG1 ILE 126 2HG1 ILE 126 5.279 -12.816 3.482 956 2HG1 ILE 126 1HG1 ILE 126 4.759 -12.157 5.028 957 1HG2 ILE 126 1HG2 ILE 126 4.863 -15.737 4.100 958 2HG2 ILE 126 2HG2 ILE 126 4.221 -14.986 2.639 959 3HG2 ILE 126 3HG2 ILE 126 3.146 -15.872 3.720 960 1HD1 ILE 126 1HD1 ILE 126 7.011 -13.034 5.163 961 2HD1 ILE 126 2HD1 ILE 126 6.444 -14.615 4.628 962 3HD1 ILE 126 3HD1 ILE 126 5.920 -13.971 6.183 963 H LYS 127 H LYS 127 2.142 -14.214 1.648 964 HA LYS 127 HA LYS 127 3.913 -12.465 0.157 965 1HB LYS 127 2HB LYS 127 2.286 -14.848 -0.751 966 2HB LYS 127 1HB LYS 127 3.496 -14.004 -1.712 967 1HG LYS 127 2HG LYS 127 5.220 -14.618 -0.100 968 2HG LYS 127 1HG LYS 127 4.014 -15.459 0.873 969 1HD LYS 127 2HD LYS 127 3.597 -17.005 -0.969 970 2HD LYS 127 1HD LYS 127 4.778 -16.147 -1.964 971 1HE LYS 127 2HE LYS 127 5.341 -17.588 0.628 972 2HE LYS 127 1HE LYS 127 5.752 -18.160 -0.987 973 1HZ LYS 127 1HZ LYS 127 7.182 -16.201 -1.248 974 2HZ LYS 127 2HZ LYS 127 7.666 -17.168 0.054 975 3HZ LYS 127 3HZ LYS 127 6.828 -15.727 0.341 976 H CYS 128 H CYS 128 0.601 -12.772 0.874 977 HA CYS 128 HA CYS 128 -0.330 -11.135 -1.316 978 1HB CYS 128 2HB CYS 128 -1.700 -11.890 1.277 979 2HB CYS 128 1HB CYS 128 -2.472 -11.140 -0.115 980 HG CYS 128 HG CYS 128 -1.014 -14.236 -0.259 981 H ALA 129 H ALA 129 0.701 -10.798 1.999 982 HA ALA 129 HA ALA 129 -0.125 -8.063 2.251 983 1HB ALA 129 1HB ALA 129 1.763 -9.679 3.946 984 2HB ALA 129 2HB ALA 129 0.027 -9.508 4.200 985 3HB ALA 129 3HB ALA 129 1.083 -8.106 4.363 986 H THR 130 H THR 130 3.016 -9.714 1.852 987 HA THR 130 HA THR 130 4.563 -7.370 1.701 988 HB THR 130 HB THR 130 6.210 -8.823 0.413 989 HG1 THR 130 1HG THR 130 4.628 -11.022 1.175 990 1HG2 THR 130 1HG2 THR 130 6.769 -10.183 2.376 991 2HG2 THR 130 2HG2 THR 130 5.180 -9.841 3.065 992 3HG2 THR 130 3HG2 THR 130 6.343 -8.534 2.832 993 H LEU 131 H LEU 131 2.660 -9.089 -0.651 994 HA LEU 131 HA LEU 131 3.368 -7.844 -3.014 995 1HB LEU 131 2HB LEU 131 1.814 -9.668 -2.956 996 2HB LEU 131 1HB LEU 131 0.700 -8.765 -1.954 997 HG LEU 131 HG LEU 131 1.299 -7.666 -4.653 998 1HD1 LEU 131 1HD1 LEU 131 1.027 -10.051 -5.085 999 2HD1 LEU 131 2HD1 LEU 131 -0.368 -9.140 -5.664 1000 3HD1 LEU 131 3HD1 LEU 131 -0.474 -10.053 -4.159 1001 1HD2 LEU 131 1HD2 LEU 131 -1.062 -7.069 -4.537 1002 2HD2 LEU 131 2HD2 LEU 131 -0.214 -6.514 -3.095 1003 3HD2 LEU 131 3HD2 LEU 131 -1.227 -7.956 -3.021 1004 H SER 132 H SER 132 0.922 -6.787 -0.648 1005 HA SER 132 HA SER 132 0.466 -4.301 -1.997 1006 1HB SER 132 2HB SER 132 -0.337 -5.104 0.810 1007 2HB SER 132 1HB SER 132 -1.037 -3.806 -0.156 1008 HG SER 132 HG SER 132 -1.198 -6.600 -0.598 1009 H TRP 133 H TRP 133 2.367 -5.372 0.745 1010 HA TRP 133 HA TRP 133 3.009 -2.857 1.812 1011 1HB TRP 133 2HB TRP 133 3.387 -4.783 3.168 1012 2HB TRP 133 1HB TRP 133 4.399 -5.536 1.940 1013 HD1 TRP 133 HD TRP 133 4.645 -2.083 3.736 1014 HE1 TRP 133 1HE TRP 133 7.062 -1.819 4.597 1015 HE3 TRP 133 3HE TRP 133 6.522 -6.596 2.237 1016 HZ2 TRP 133 2HZ TRP 133 9.435 -3.348 4.652 1017 HZ3 TRP 133 3HZ TRP 133 8.874 -7.119 2.738 1018 HH2 TRP 133 HH TRP 133 10.299 -5.526 3.921 1019 H LYS 134 H LYS 134 4.796 -4.950 -0.450 1020 HA LYS 134 HA LYS 134 6.882 -3.023 -0.766 1021 1HB LYS 134 2HB LYS 134 6.226 -5.542 -2.272 1022 2HB LYS 134 1HB LYS 134 7.562 -4.493 -2.726 1023 1HG LYS 134 2HG LYS 134 8.328 -4.758 -0.291 1024 2HG LYS 134 1HG LYS 134 7.217 -6.127 -0.245 1025 1HD LYS 134 2HD LYS 134 8.384 -7.200 -2.057 1026 2HD LYS 134 1HD LYS 134 9.418 -5.788 -2.278 1027 1HE LYS 134 2HE LYS 134 10.226 -6.137 0.074 1028 2HE LYS 134 1HE LYS 134 9.349 -7.667 0.074 1029 1HZ LYS 134 1HZ LYS 134 11.555 -6.905 -1.765 1030 2HZ LYS 134 2HZ LYS 134 10.685 -8.358 -1.845 1031 3HZ LYS 134 3HZ LYS 134 11.651 -8.021 -0.490 1032 H ALA 135 H ALA 135 3.806 -3.480 -2.260 1033 HA ALA 135 HA ALA 135 4.199 -2.113 -4.657 1034 1HB ALA 135 1HB ALA 135 1.779 -1.947 -2.859 1035 2HB ALA 135 2HB ALA 135 2.080 -3.212 -4.050 1036 3HB ALA 135 3HB ALA 135 1.837 -1.545 -4.575 1037 H LEU 136 H LEU 136 3.629 -0.902 -1.376 1038 HA LEU 136 HA LEU 136 3.969 1.845 -2.315 1039 1HB LEU 136 2HB LEU 136 3.149 0.625 0.287 1040 2HB LEU 136 1HB LEU 136 3.765 2.264 0.266 1041 HG LEU 136 HG LEU 136 1.417 2.460 0.198 1042 1HD1 LEU 136 1HD1 LEU 136 2.555 3.948 -1.347 1043 2HD1 LEU 136 2HD1 LEU 136 0.968 3.488 -1.967 1044 3HD1 LEU 136 3HD1 LEU 136 2.423 2.740 -2.626 1045 1HD2 LEU 136 1HD2 LEU 136 1.408 0.456 -2.048 1046 2HD2 LEU 136 2HD2 LEU 136 0.002 1.328 -1.436 1047 3HD2 LEU 136 3HD2 LEU 136 0.848 0.181 -0.398 1048 H GLU 137 H GLU 137 5.509 -0.445 -0.125 1049 HA GLU 137 HA GLU 137 7.509 1.265 0.859 1050 1HB GLU 137 2HB GLU 137 6.677 -0.976 1.790 1051 2HB GLU 137 1HB GLU 137 7.757 -1.730 0.628 1052 1HG GLU 137 2HG GLU 137 8.971 -1.680 2.613 1053 2HG GLU 137 1HG GLU 137 9.601 -0.324 1.678 1054 H LYS 138 H LYS 138 7.299 -0.662 -2.035 1055 HA LYS 138 HA LYS 138 10.166 -0.137 -2.545 1056 1HB LYS 138 2HB LYS 138 9.447 -2.514 -2.618 1057 2HB LYS 138 1HB LYS 138 8.358 -2.121 -3.940 1058 1HG LYS 138 2HG LYS 138 10.290 -1.439 -5.297 1059 2HG LYS 138 1HG LYS 138 11.360 -1.902 -3.974 1060 1HD LYS 138 2HD LYS 138 10.492 -4.209 -4.123 1061 2HD LYS 138 1HD LYS 138 9.502 -3.721 -5.503 1062 1HE LYS 138 2HE LYS 138 12.511 -3.581 -5.356 1063 2HE LYS 138 1HE LYS 138 11.583 -4.815 -6.207 1064 1HZ LYS 138 1HZ LYS 138 10.830 -3.268 -7.773 1065 2HZ LYS 138 2HZ LYS 138 12.474 -2.898 -7.572 1066 3HZ LYS 138 3HZ LYS 138 11.293 -1.936 -6.833 1067 H GLY 139 H GLY 139 7.016 0.731 -3.484 1068 1HA GLY 139 2HA GLY 139 7.613 1.472 -6.183 1069 2HA GLY 139 1HA GLY 139 6.163 1.888 -5.284 1070 H VAL 140 H VAL 140 6.711 3.497 -3.393 1071 HA VAL 140 HA VAL 140 8.298 5.661 -4.612 1072 HB VAL 140 HB VAL 140 5.856 6.036 -4.780 1073 1HG1 VAL 140 1HG1 VAL 140 5.924 6.055 -1.767 1074 2HG1 VAL 140 2HG1 VAL 140 5.103 4.881 -2.796 1075 3HG1 VAL 140 3HG1 VAL 140 4.557 6.557 -2.763 1076 1HG2 VAL 140 1HG2 VAL 140 7.319 7.951 -4.730 1077 2HG2 VAL 140 2HG2 VAL 140 7.321 7.945 -2.966 1078 3HG2 VAL 140 3HG2 VAL 140 5.837 8.314 -3.846 1079 H ALA 141 H ALA 141 7.748 3.729 -1.881 1080 HA ALA 141 HA ALA 141 8.979 5.632 -0.034 1081 1HB ALA 141 1HB ALA 141 6.917 4.551 0.678 1082 2HB ALA 141 2HB ALA 141 8.266 4.060 1.704 1083 3HB ALA 141 3HB ALA 141 7.659 2.965 0.461 1084 H LYS 142 H LYS 142 10.272 4.060 1.747 1085 HA LYS 142 HA LYS 142 11.834 1.958 0.859 1086 1HB LYS 142 2HB LYS 142 12.680 3.791 -0.739 1087 2HB LYS 142 1HB LYS 142 13.466 4.489 0.668 1088 1HG LYS 142 2HG LYS 142 13.951 1.673 -0.284 1089 2HG LYS 142 1HG LYS 142 14.923 3.055 -0.782 1090 1HD LYS 142 2HD LYS 142 15.573 3.455 1.525 1091 2HD LYS 142 1HD LYS 142 14.540 2.132 2.067 1092 1HE LYS 142 2HE LYS 142 15.922 0.610 0.613 1093 2HE LYS 142 1HE LYS 142 17.030 1.962 0.381 1094 1HZ LYS 142 1HZ LYS 142 17.288 2.042 2.828 1095 2HZ LYS 142 2HZ LYS 142 17.837 0.592 2.152 1096 3HZ LYS 142 3HZ LYS 142 16.344 0.640 2.956 1097 H GLU 143 H GLU 143 12.124 5.011 2.752 1098 HA GLU 143 HA GLU 143 12.712 4.283 5.225 1099 1HB GLU 143 2HB GLU 143 14.353 2.617 4.027 1100 2HB GLU 143 1HB GLU 143 15.383 4.030 3.860 1101 1HG GLU 143 2HG GLU 143 14.748 4.142 6.497 1102 2HG GLU 143 1HG GLU 143 14.786 2.399 6.210 1103 H GLU 144 H GLU 144 15.133 5.644 5.861 1104 HA GLU 144 HA GLU 144 14.378 8.296 4.880 1105 1HB GLU 144 2HB GLU 144 15.573 9.164 6.878 1106 2HB GLU 144 1HB GLU 144 14.206 8.130 7.253 1107 1HG GLU 144 2HG GLU 144 15.643 7.221 8.707 1108 2HG GLU 144 1HG GLU 144 16.181 6.311 7.296 1109 H GLY 145 H GLY 145 17.231 6.187 5.184 1110 1HA GLY 145 2HA GLY 145 18.517 7.797 3.137 1111 2HA GLY 145 1HA GLY 145 19.287 7.880 4.709 1112 H GLY 146 H GLY 146 18.549 5.004 5.230 1113 1HA GLY 146 2HA GLY 146 19.309 2.879 4.648 1114 2HA GLY 146 1HA GLY 146 20.070 3.565 3.220 1115 H ASN 147 H ASN 147 20.696 5.058 6.274 1116 HA ASN 147 HA ASN 147 23.429 3.983 6.172 1117 1HB ASN 147 2HB ASN 147 22.354 6.472 7.515 1118 2HB ASN 147 1HB ASN 147 24.009 5.897 7.693 1119 1HD2 ASN 147 1HD2 ASN 147 21.775 7.576 5.727 1120 2HD2 ASN 147 2HD2 ASN 147 22.874 7.999 4.454 Start of MODEL 7 1 1H MET 1 1HT MET 1 -2.968 -18.548 17.508 2 2H MET 1 2HT MET 1 -3.170 -16.894 17.807 3 3H MET 1 3HT MET 1 -1.956 -17.415 16.748 4 HA MET 1 HA MET 1 -3.749 -16.554 15.465 5 1HB MET 1 2HB MET 1 -3.756 -19.582 15.443 6 2HB MET 1 1HB MET 1 -4.423 -18.568 14.175 7 1HG MET 1 2HG MET 1 -2.324 -19.274 13.408 8 2HG MET 1 1HG MET 1 -2.120 -17.595 13.898 9 1HE MET 1 1HE MET 1 1.356 -19.179 14.755 10 2HE MET 1 2HE MET 1 0.516 -17.890 13.894 11 3HE MET 1 3HE MET 1 0.319 -19.569 13.386 12 H SER 2 H SER 2 -4.816 -19.110 17.674 13 HA SER 2 HA SER 2 -7.587 -18.740 17.172 14 1HB SER 2 2HB SER 2 -6.262 -19.971 19.602 15 2HB SER 2 1HB SER 2 -7.915 -20.241 19.045 16 HG SER 2 HG SER 2 -7.163 -21.742 17.795 17 H PHE 3 H PHE 3 -8.453 -16.809 17.534 18 HA PHE 3 HA PHE 3 -8.778 -15.873 20.211 19 1HB PHE 3 2HB PHE 3 -6.563 -14.894 19.717 20 2HB PHE 3 1HB PHE 3 -7.230 -14.115 18.288 21 HD1 PHE 3 1HD PHE 3 -8.015 -11.949 18.442 22 HD2 PHE 3 2HD PHE 3 -7.705 -14.293 21.980 23 HE1 PHE 3 1HE PHE 3 -8.615 -9.983 19.792 24 HE2 PHE 3 2HE PHE 3 -8.308 -12.330 23.336 25 HZ PHE 3 HZ PHE 3 -8.765 -10.172 22.242 26 H ASN 4 H ASN 4 -8.711 -13.995 17.232 27 HA ASN 4 HA ASN 4 -11.393 -14.383 16.476 28 1HB ASN 4 2HB ASN 4 -11.864 -13.117 18.562 29 2HB ASN 4 1HB ASN 4 -10.864 -11.793 17.967 30 1HD2 ASN 4 1HD2 ASN 4 -12.520 -10.320 17.973 31 2HD2 ASN 4 2HD2 ASN 4 -13.830 -10.386 16.838 32 H ALA 5 H ALA 5 -11.666 -13.578 14.441 33 HA ALA 5 HA ALA 5 -9.410 -12.096 13.339 34 1HB ALA 5 1HB ALA 5 -10.304 -12.689 11.151 35 2HB ALA 5 2HB ALA 5 -11.712 -13.428 11.915 36 3HB ALA 5 3HB ALA 5 -10.109 -14.122 12.161 37 H ASN 6 H ASN 6 -9.676 -10.011 13.878 38 HA ASN 6 HA ASN 6 -12.208 -8.652 13.610 39 1HB ASN 6 2HB ASN 6 -10.926 -6.640 14.251 40 2HB ASN 6 1HB ASN 6 -10.630 -7.974 15.362 41 1HD2 ASN 6 1HD2 ASN 6 -9.258 -5.786 13.112 42 2HD2 ASN 6 2HD2 ASN 6 -7.620 -6.313 13.268 43 H LEU 7 H LEU 7 -10.412 -9.887 11.376 44 HA LEU 7 HA LEU 7 -10.014 -7.661 9.591 45 1HB LEU 7 2HB LEU 7 -8.469 -9.573 9.590 46 2HB LEU 7 1HB LEU 7 -9.784 -10.639 9.135 47 HG LEU 7 HG LEU 7 -10.008 -9.380 7.001 48 1HD1 LEU 7 1HD1 LEU 7 -9.050 -7.259 7.721 49 2HD1 LEU 7 2HD1 LEU 7 -8.202 -7.893 6.310 50 3HD1 LEU 7 3HD1 LEU 7 -7.472 -8.026 7.910 51 1HD2 LEU 7 1HD2 LEU 7 -7.300 -10.579 7.567 52 2HD2 LEU 7 2HD2 LEU 7 -7.993 -10.323 5.965 53 3HD2 LEU 7 3HD2 LEU 7 -8.754 -11.455 7.084 54 H ASP 8 H ASP 8 -12.346 -10.205 10.151 55 HA ASP 8 HA ASP 8 -13.785 -10.179 7.776 56 1HB ASP 8 2HB ASP 8 -14.723 -10.607 10.616 57 2HB ASP 8 1HB ASP 8 -15.749 -10.867 9.211 58 H THR 9 H THR 9 -14.219 -8.171 10.660 59 HA THR 9 HA THR 9 -16.397 -6.691 9.552 60 HB THR 9 HB THR 9 -15.828 -5.091 11.488 61 HG1 THR 9 1HG THR 9 -14.009 -5.502 12.475 62 1HG2 THR 9 1HG2 THR 9 -16.787 -6.614 13.155 63 2HG2 THR 9 2HG2 THR 9 -16.457 -7.985 12.095 64 3HG2 THR 9 3HG2 THR 9 -17.623 -6.753 11.608 65 H LEU 10 H LEU 10 -12.931 -6.309 9.703 66 HA LEU 10 HA LEU 10 -12.851 -3.580 8.942 67 1HB LEU 10 2HB LEU 10 -11.068 -4.746 10.181 68 2HB LEU 10 1HB LEU 10 -10.724 -5.715 8.766 69 HG LEU 10 HG LEU 10 -10.525 -2.746 8.512 70 1HD1 LEU 10 1HD1 LEU 10 -9.367 -3.189 10.603 71 2HD1 LEU 10 2HD1 LEU 10 -8.209 -2.829 9.324 72 3HD1 LEU 10 3HD1 LEU 10 -8.458 -4.495 9.843 73 1HD2 LEU 10 1HD2 LEU 10 -8.903 -5.044 7.414 74 2HD2 LEU 10 2HD2 LEU 10 -8.719 -3.343 6.990 75 3HD2 LEU 10 3HD2 LEU 10 -10.198 -4.200 6.562 76 H TYR 11 H TYR 11 -12.275 -6.583 7.092 77 HA TYR 11 HA TYR 11 -11.591 -5.141 4.743 78 1HB TYR 11 2HB TYR 11 -11.012 -7.149 3.807 79 2HB TYR 11 1HB TYR 11 -10.936 -7.586 5.506 80 HD1 TYR 11 1HD TYR 11 -12.753 -8.977 6.499 81 HD2 TYR 11 2HD TYR 11 -12.595 -8.151 2.330 82 HE1 TYR 11 1HE TYR 11 -14.295 -10.843 6.077 83 HE2 TYR 11 2HE TYR 11 -14.145 -10.010 1.897 84 HH TYR 11 HH TYR 11 -14.845 -12.120 2.988 85 H ARG 12 H ARG 12 -14.572 -6.593 5.939 86 HA ARG 12 HA ARG 12 -15.956 -6.358 3.475 87 1HB ARG 12 2HB ARG 12 -16.880 -6.661 6.315 88 2HB ARG 12 1HB ARG 12 -18.033 -6.371 5.017 89 1HG ARG 12 2HG ARG 12 -17.001 -8.363 3.846 90 2HG ARG 12 1HG ARG 12 -16.183 -8.707 5.367 91 1HD ARG 12 2HD ARG 12 -19.164 -8.383 5.142 92 2HD ARG 12 1HD ARG 12 -18.355 -9.935 4.950 93 HE ARG 12 HE ARG 12 -18.519 -8.359 7.426 94 1HH1 ARG 12 1HH1 ARG 12 -17.764 -11.348 5.753 95 2HH1 ARG 12 2HH1 ARG 12 -17.645 -12.278 7.217 96 1HH2 ARG 12 1HH2 ARG 12 -18.404 -9.613 9.347 97 2HH2 ARG 12 2HH2 ARG 12 -18.007 -11.304 9.246 98 H GLN 13 H GLN 13 -15.316 -4.150 6.113 99 HA GLN 13 HA GLN 13 -16.954 -2.067 5.002 100 1HB GLN 13 2HB GLN 13 -14.834 -2.065 7.146 101 2HB GLN 13 1HB GLN 13 -15.652 -0.601 6.618 102 1HG GLN 13 2HG GLN 13 -17.806 -1.602 7.251 103 2HG GLN 13 1HG GLN 13 -16.949 -3.026 7.838 104 1HE2 GLN 13 1HE2 GLN 13 -18.660 -1.070 9.213 105 2HE2 GLN 13 2HE2 GLN 13 -17.707 -0.471 10.532 106 H VAL 14 H VAL 14 -13.525 -2.976 4.890 107 HA VAL 14 HA VAL 14 -12.628 -0.698 3.480 108 HB VAL 14 HB VAL 14 -11.537 -3.514 3.531 109 1HG1 VAL 14 1HG1 VAL 14 -10.317 -1.033 2.319 110 2HG1 VAL 14 2HG1 VAL 14 -10.823 -2.484 1.454 111 3HG1 VAL 14 3HG1 VAL 14 -9.467 -2.555 2.579 112 1HG2 VAL 14 1HG2 VAL 14 -9.839 -2.539 4.992 113 2HG2 VAL 14 2HG2 VAL 14 -11.458 -2.287 5.648 114 3HG2 VAL 14 3HG2 VAL 14 -10.613 -0.960 4.848 115 H ILE 15 H ILE 15 -13.752 -3.858 2.292 116 HA ILE 15 HA ILE 15 -13.469 -3.272 -0.451 117 HB ILE 15 HB ILE 15 -15.330 -5.203 0.945 118 1HG1 ILE 15 2HG1 ILE 15 -12.990 -5.717 1.308 119 2HG1 ILE 15 1HG1 ILE 15 -13.671 -6.889 0.184 120 1HG2 ILE 15 1HG2 ILE 15 -15.554 -6.325 -1.234 121 2HG2 ILE 15 2HG2 ILE 15 -14.670 -4.998 -1.989 122 3HG2 ILE 15 3HG2 ILE 15 -16.238 -4.699 -1.239 123 1HD1 ILE 15 1HD1 ILE 15 -12.649 -5.699 -1.679 124 2HD1 ILE 15 2HD1 ILE 15 -11.445 -6.192 -0.490 125 3HD1 ILE 15 3HD1 ILE 15 -11.979 -4.513 -0.558 126 H MET 16 H MET 16 -16.076 -2.708 1.836 127 HA MET 16 HA MET 16 -18.064 -1.892 0.020 128 1HB MET 16 2HB MET 16 -18.590 -2.436 2.330 129 2HB MET 16 1HB MET 16 -17.595 -1.105 2.900 130 1HG MET 16 2HG MET 16 -19.127 0.483 1.829 131 2HG MET 16 1HG MET 16 -20.131 -0.865 1.297 132 1HE MET 16 1HE MET 16 -22.255 0.846 4.130 133 2HE MET 16 2HE MET 16 -22.248 0.306 2.450 134 3HE MET 16 3HE MET 16 -21.200 1.632 2.956 135 H ASP 17 H ASP 17 -15.758 0.046 1.941 136 HA ASP 17 HA ASP 17 -16.535 2.508 0.743 137 1HB ASP 17 2HB ASP 17 -15.385 2.235 2.983 138 2HB ASP 17 1HB ASP 17 -13.894 1.936 2.095 139 H HIS 18 H HIS 18 -14.257 0.022 -0.085 140 HA HIS 18 HA HIS 18 -12.805 1.528 -2.023 141 1HB HIS 18 2HB HIS 18 -11.879 -0.512 -0.979 142 2HB HIS 18 1HB HIS 18 -13.115 -1.474 -1.780 143 HD1 HIS 18 1HD HIS 18 -12.262 -2.613 -3.782 144 HD2 HIS 18 2HD HIS 18 -10.351 1.029 -3.151 145 HE1 HIS 18 1HE HIS 18 -10.541 -2.420 -5.611 146 HE2 HIS 18 2HE HIS 18 -9.312 -0.269 -5.131 147 H TYR 19 H TYR 19 -15.865 -0.031 -2.016 148 HA TYR 19 HA TYR 19 -16.095 -0.128 -4.900 149 1HB TYR 19 2HB TYR 19 -17.327 -1.716 -3.469 150 2HB TYR 19 1HB TYR 19 -18.198 -0.373 -2.740 151 HD1 TYR 19 1HD TYR 19 -20.252 0.260 -3.616 152 HD2 TYR 19 2HD TYR 19 -17.564 -1.962 -6.057 153 HE1 TYR 19 1HE TYR 19 -21.978 0.098 -5.358 154 HE2 TYR 19 2HE TYR 19 -19.285 -2.129 -7.805 155 HH TYR 19 HH TYR 19 -21.704 -2.021 -8.021 156 H LYS 20 H LYS 20 -16.590 2.056 -2.331 157 HA LYS 20 HA LYS 20 -18.311 3.916 -3.637 158 1HB LYS 20 2HB LYS 20 -18.053 3.789 -1.185 159 2HB LYS 20 1HB LYS 20 -16.377 4.291 -1.338 160 1HG LYS 20 2HG LYS 20 -17.315 6.405 -2.443 161 2HG LYS 20 1HG LYS 20 -18.864 5.896 -1.767 162 1HD LYS 20 2HD LYS 20 -17.856 7.394 -0.206 163 2HD LYS 20 1HD LYS 20 -17.745 5.769 0.471 164 1HE LYS 20 2HE LYS 20 -15.427 5.617 -0.385 165 2HE LYS 20 1HE LYS 20 -15.553 7.285 -0.941 166 1HZ LYS 20 1HZ LYS 20 -15.628 6.300 1.858 167 2HZ LYS 20 2HZ LYS 20 -16.037 7.889 1.415 168 3HZ LYS 20 3HZ LYS 20 -14.468 7.313 1.143 169 H ASN 21 H ASN 21 -15.006 3.129 -3.933 170 HA ASN 21 HA ASN 21 -14.517 5.608 -5.430 171 1HB ASN 21 2HB ASN 21 -12.455 6.055 -4.384 172 2HB ASN 21 1HB ASN 21 -13.544 5.668 -3.062 173 1HD2 ASN 21 1HD2 ASN 21 -13.224 3.765 -1.892 174 2HD2 ASN 21 2HD2 ASN 21 -11.751 2.869 -2.008 175 HA PRO 22 HA PRO 22 -12.345 3.505 -8.730 176 1HB PRO 22 2HB PRO 22 -9.757 4.201 -7.393 177 2HB PRO 22 1HB PRO 22 -10.196 4.287 -9.104 178 1HG PRO 22 2HG PRO 22 -10.196 6.480 -7.589 179 2HG PRO 22 1HG PRO 22 -11.436 6.224 -8.831 180 1HD PRO 22 2HD PRO 22 -11.664 6.098 -5.884 181 2HD PRO 22 1HD PRO 22 -12.908 6.438 -7.102 182 H ARG 23 H ARG 23 -11.908 1.441 -9.114 183 HA ARG 23 HA ARG 23 -10.987 -0.231 -6.883 184 1HB ARG 23 2HB ARG 23 -12.701 -0.912 -9.273 185 2HB ARG 23 1HB ARG 23 -12.100 -2.097 -8.122 186 1HG ARG 23 2HG ARG 23 -13.387 -1.148 -6.359 187 2HG ARG 23 1HG ARG 23 -13.836 0.235 -7.359 188 1HD ARG 23 2HD ARG 23 -15.655 -1.393 -7.189 189 2HD ARG 23 1HD ARG 23 -15.086 -1.216 -8.847 190 HE ARG 23 HE ARG 23 -13.858 -3.391 -7.407 191 1HH1 ARG 23 1HH1 ARG 23 -16.494 -2.398 -9.476 192 2HH1 ARG 23 2HH1 ARG 23 -16.892 -4.008 -9.982 193 1HH2 ARG 23 1HH2 ARG 23 -14.366 -5.535 -8.066 194 2HH2 ARG 23 2HH2 ARG 23 -15.684 -5.798 -9.177 195 H ASN 24 H ASN 24 -10.284 -2.509 -8.174 196 HA ASN 24 HA ASN 24 -7.682 -1.682 -9.096 197 1HB ASN 24 2HB ASN 24 -8.858 -4.372 -8.418 198 2HB ASN 24 1HB ASN 24 -7.222 -4.172 -9.033 199 1HD2 ASN 24 1HD2 ASN 24 -6.370 -5.038 -7.150 200 2HD2 ASN 24 2HD2 ASN 24 -6.295 -4.126 -5.681 201 H LYS 25 H LYS 25 -8.100 -0.841 -11.124 202 HA LYS 25 HA LYS 25 -7.727 -2.797 -13.190 203 1HB LYS 25 2HB LYS 25 -9.563 -2.074 -14.637 204 2HB LYS 25 1HB LYS 25 -10.183 -2.751 -13.138 205 1HG LYS 25 2HG LYS 25 -10.878 -0.686 -12.342 206 2HG LYS 25 1HG LYS 25 -9.812 0.201 -13.434 207 1HD LYS 25 2HD LYS 25 -12.161 0.366 -14.118 208 2HD LYS 25 1HD LYS 25 -11.178 -0.449 -15.334 209 1HE LYS 25 2HE LYS 25 -11.962 -2.622 -14.455 210 2HE LYS 25 1HE LYS 25 -13.001 -1.758 -13.320 211 1HZ LYS 25 1HZ LYS 25 -14.116 -0.735 -15.234 212 2HZ LYS 25 2HZ LYS 25 -14.263 -2.424 -15.236 213 3HZ LYS 25 3HZ LYS 25 -13.163 -1.666 -16.284 214 H GLY 26 H GLY 26 -6.492 -0.382 -11.874 215 1HA GLY 26 2HA GLY 26 -6.552 1.577 -14.056 216 2HA GLY 26 1HA GLY 26 -5.979 1.876 -12.425 217 H VAL 27 H VAL 27 -5.004 1.633 -15.508 218 HA VAL 27 HA VAL 27 -2.273 0.875 -14.675 219 HB VAL 27 HB VAL 27 -3.430 0.565 -17.457 220 1HG1 VAL 27 1HG1 VAL 27 -0.781 -0.315 -16.309 221 2HG1 VAL 27 2HG1 VAL 27 -1.031 1.022 -17.432 222 3HG1 VAL 27 3HG1 VAL 27 -1.358 -0.633 -17.946 223 1HG2 VAL 27 1HG2 VAL 27 -2.816 -1.554 -15.397 224 2HG2 VAL 27 2HG2 VAL 27 -3.332 -1.848 -17.059 225 3HG2 VAL 27 3HG2 VAL 27 -4.423 -1.053 -15.924 226 H LEU 28 H LEU 28 -1.501 2.907 -14.234 227 HA LEU 28 HA LEU 28 -1.867 5.011 -16.238 228 1HB LEU 28 2HB LEU 28 -2.164 5.558 -13.852 229 2HB LEU 28 1HB LEU 28 -0.504 5.088 -13.543 230 HG LEU 28 HG LEU 28 0.275 6.932 -14.989 231 1HD1 LEU 28 1HD1 LEU 28 -1.290 8.624 -15.758 232 2HD1 LEU 28 2HD1 LEU 28 -2.640 7.693 -15.110 233 3HD1 LEU 28 3HD1 LEU 28 -1.693 7.054 -16.452 234 1HD2 LEU 28 1HD2 LEU 28 0.022 7.244 -12.571 235 2HD2 LEU 28 2HD2 LEU 28 -1.636 7.794 -12.822 236 3HD2 LEU 28 3HD2 LEU 28 -0.286 8.734 -13.461 237 H ASN 29 H ASN 29 -0.607 4.357 -17.917 238 HA ASN 29 HA ASN 29 2.066 3.377 -17.542 239 1HB ASN 29 2HB ASN 29 2.070 3.449 -20.097 240 2HB ASN 29 1HB ASN 29 0.898 2.387 -19.330 241 1HD2 ASN 29 1HD2 ASN 29 0.539 5.886 -19.529 242 2HD2 ASN 29 2HD2 ASN 29 -0.798 5.863 -20.633 243 H ASP 30 H ASP 30 2.186 5.742 -16.356 244 HA ASP 30 HA ASP 30 3.405 7.555 -18.329 245 1HB ASP 30 2HB ASP 30 1.776 8.120 -15.879 246 2HB ASP 30 1HB ASP 30 2.937 9.311 -16.450 247 H SER 31 H SER 31 3.600 7.681 -14.799 248 HA SER 31 HA SER 31 6.462 8.101 -15.118 249 1HB SER 31 2HB SER 31 5.190 9.801 -13.901 250 2HB SER 31 1HB SER 31 4.636 8.588 -12.750 251 HG SER 31 HG SER 31 7.355 9.322 -13.180 252 H ILE 32 H ILE 32 4.748 6.694 -12.342 253 HA ILE 32 HA ILE 32 6.917 4.773 -12.065 254 HB ILE 32 HB ILE 32 4.544 5.334 -10.284 255 1HG1 ILE 32 2HG1 ILE 32 7.461 6.089 -10.020 256 2HG1 ILE 32 1HG1 ILE 32 6.139 7.190 -10.393 257 1HG2 ILE 32 1HG2 ILE 32 5.281 3.037 -10.014 258 2HG2 ILE 32 2HG2 ILE 32 5.724 3.991 -8.598 259 3HG2 ILE 32 3HG2 ILE 32 6.946 3.577 -9.800 260 1HD1 ILE 32 1HD1 ILE 32 5.154 6.757 -8.213 261 2HD1 ILE 32 2HD1 ILE 32 6.807 7.356 -8.067 262 3HD1 ILE 32 3HD1 ILE 32 6.467 5.640 -7.836 263 H VAL 33 H VAL 33 6.795 2.687 -12.590 264 HA VAL 33 HA VAL 33 4.145 1.463 -12.926 265 HB VAL 33 HB VAL 33 6.477 0.947 -14.787 266 1HG1 VAL 33 1HG1 VAL 33 4.839 -0.322 -16.100 267 2HG1 VAL 33 2HG1 VAL 33 3.618 -0.012 -14.865 268 3HG1 VAL 33 3HG1 VAL 33 5.034 -0.987 -14.478 269 1HG2 VAL 33 1HG2 VAL 33 5.164 2.091 -16.509 270 2HG2 VAL 33 2HG2 VAL 33 5.560 3.177 -15.177 271 3HG2 VAL 33 3HG2 VAL 33 3.938 2.497 -15.307 272 H VAL 34 H VAL 34 4.311 0.410 -10.949 273 HA VAL 34 HA VAL 34 6.493 -1.565 -10.724 274 HB VAL 34 HB VAL 34 4.677 -0.505 -8.545 275 1HG1 VAL 34 1HG1 VAL 34 7.050 -2.359 -8.383 276 2HG1 VAL 34 2HG1 VAL 34 5.364 -2.808 -8.130 277 3HG1 VAL 34 3HG1 VAL 34 6.159 -1.705 -7.007 278 1HG2 VAL 34 1HG2 VAL 34 6.665 0.621 -7.691 279 2HG2 VAL 34 2HG2 VAL 34 6.277 1.172 -9.321 280 3HG2 VAL 34 3HG2 VAL 34 7.596 0.030 -9.068 281 H ASP 35 H ASP 35 5.956 -3.597 -11.194 282 HA ASP 35 HA ASP 35 3.148 -4.415 -10.821 283 1HB ASP 35 2HB ASP 35 3.569 -4.114 -13.192 284 2HB ASP 35 1HB ASP 35 5.012 -5.117 -13.097 285 H MET 36 H MET 36 2.783 -6.514 -10.099 286 HA MET 36 HA MET 36 4.986 -8.277 -9.596 287 1HB MET 36 2HB MET 36 5.044 -6.777 -7.630 288 2HB MET 36 1HB MET 36 3.347 -7.110 -7.326 289 1HG MET 36 2HG MET 36 4.822 -8.359 -5.830 290 2HG MET 36 1HG MET 36 3.848 -9.424 -6.843 291 1HE MET 36 1HE MET 36 6.426 -10.385 -5.213 292 2HE MET 36 2HE MET 36 7.200 -11.417 -6.414 293 3HE MET 36 3HE MET 36 5.448 -11.459 -6.216 294 H ASN 37 H ASN 37 4.205 -10.333 -8.992 295 HA ASN 37 HA ASN 37 1.339 -10.791 -9.183 296 1HB ASN 37 2HB ASN 37 1.812 -12.699 -10.827 297 2HB ASN 37 1HB ASN 37 1.825 -11.058 -11.451 298 1HD2 ASN 37 1HD2 ASN 37 4.422 -12.591 -9.607 299 2HD2 ASN 37 2HD2 ASN 37 5.574 -12.570 -10.898 300 H ASN 38 H ASN 38 0.579 -12.434 -8.038 301 HA ASN 38 HA ASN 38 2.427 -14.511 -7.073 302 1HB ASN 38 2HB ASN 38 2.068 -12.914 -5.208 303 2HB ASN 38 1HB ASN 38 0.331 -13.090 -5.385 304 1HD2 ASN 38 1HD2 ASN 38 2.039 -13.573 -3.055 305 2HD2 ASN 38 2HD2 ASN 38 1.749 -15.219 -2.585 306 HA PRO 39 HA PRO 39 -0.271 -16.505 -10.004 307 1HB PRO 39 2HB PRO 39 0.234 -18.695 -8.022 308 2HB PRO 39 1HB PRO 39 0.234 -18.762 -9.787 309 1HG PRO 39 2HG PRO 39 2.503 -18.510 -8.286 310 2HG PRO 39 1HG PRO 39 2.351 -17.920 -9.949 311 1HD PRO 39 2HD PRO 39 2.675 -16.390 -7.525 312 2HD PRO 39 1HD PRO 39 2.593 -15.800 -9.195 313 H THR 40 H THR 40 -0.936 -17.734 -6.696 314 HA THR 40 HA THR 40 -3.782 -17.670 -7.432 315 HB THR 40 HB THR 40 -3.966 -19.425 -5.582 316 HG1 THR 40 1HG THR 40 -1.535 -20.424 -5.780 317 1HG2 THR 40 1HG2 THR 40 -2.346 -20.068 -8.053 318 2HG2 THR 40 2HG2 THR 40 -4.106 -19.981 -7.965 319 3HG2 THR 40 3HG2 THR 40 -3.240 -21.235 -7.077 320 H CYS 41 H CYS 41 -1.802 -15.754 -5.761 321 HA CYS 41 HA CYS 41 -3.806 -15.276 -3.660 322 1HB CYS 41 2HB CYS 41 -1.914 -16.492 -2.684 323 2HB CYS 41 1HB CYS 41 -0.810 -15.251 -3.270 324 HG CYS 41 HG CYS 41 -2.124 -15.397 -0.393 325 H GLY 42 H GLY 42 -2.495 -14.042 -6.291 326 1HA GLY 42 2HA GLY 42 -3.253 -11.414 -6.034 327 2HA GLY 42 1HA GLY 42 -1.585 -11.457 -5.470 328 H ASP 43 H ASP 43 -3.455 -12.919 -8.060 329 HA ASP 43 HA ASP 43 -1.687 -13.557 -9.939 330 1HB ASP 43 2HB ASP 43 -4.086 -13.892 -10.154 331 2HB ASP 43 1HB ASP 43 -4.327 -12.169 -10.413 332 H ARG 44 H ARG 44 -2.811 -10.237 -9.420 333 HA ARG 44 HA ARG 44 -0.536 -9.262 -10.960 334 1HB ARG 44 2HB ARG 44 -2.443 -9.568 -12.564 335 2HB ARG 44 1HB ARG 44 -3.378 -8.437 -11.601 336 1HG ARG 44 2HG ARG 44 -2.635 -6.985 -13.151 337 2HG ARG 44 1HG ARG 44 -1.241 -6.912 -12.074 338 1HD ARG 44 2HD ARG 44 -1.323 -8.951 -14.251 339 2HD ARG 44 1HD ARG 44 -0.923 -7.281 -14.640 340 HE ARG 44 HE ARG 44 0.957 -7.485 -13.067 341 1HH1 ARG 44 1HH1 ARG 44 -0.522 -10.442 -14.238 342 2HH1 ARG 44 2HH1 ARG 44 0.948 -11.358 -14.156 343 1HH2 ARG 44 1HH2 ARG 44 2.898 -8.678 -12.984 344 2HH2 ARG 44 2HH2 ARG 44 2.884 -10.373 -13.393 345 H ILE 45 H ILE 45 0.260 -7.378 -10.046 346 HA ILE 45 HA ILE 45 -1.702 -5.540 -8.945 347 HB ILE 45 HB ILE 45 -1.028 -6.562 -6.906 348 1HG1 ILE 45 2HG1 ILE 45 0.484 -3.969 -7.285 349 2HG1 ILE 45 1HG1 ILE 45 -1.211 -4.131 -6.840 350 1HG2 ILE 45 1HG2 ILE 45 0.983 -7.688 -7.649 351 2HG2 ILE 45 2HG2 ILE 45 1.298 -6.760 -6.183 352 3HG2 ILE 45 3HG2 ILE 45 1.832 -6.145 -7.747 353 1HD1 ILE 45 1HD1 ILE 45 -0.543 -5.201 -4.742 354 2HD1 ILE 45 2HD1 ILE 45 0.135 -3.582 -4.911 355 3HD1 ILE 45 3HD1 ILE 45 1.151 -4.997 -5.190 356 H ARG 46 H ARG 46 -1.451 -4.142 -10.541 357 HA ARG 46 HA ARG 46 1.256 -3.204 -11.156 358 1HB ARG 46 2HB ARG 46 -0.271 -4.087 -12.980 359 2HB ARG 46 1HB ARG 46 -1.253 -2.650 -12.728 360 1HG ARG 46 2HG ARG 46 0.301 -1.258 -13.656 361 2HG ARG 46 1HG ARG 46 1.657 -2.307 -13.231 362 1HD ARG 46 2HD ARG 46 -0.396 -2.822 -15.379 363 2HD ARG 46 1HD ARG 46 1.278 -2.328 -15.635 364 HE ARG 46 HE ARG 46 1.256 -4.687 -14.101 365 1HH1 ARG 46 1HH1 ARG 46 0.533 -3.612 -17.357 366 2HH1 ARG 46 2HH1 ARG 46 0.874 -5.158 -18.071 367 1HH2 ARG 46 1HH2 ARG 46 1.724 -6.694 -15.037 368 2HH2 ARG 46 2HH2 ARG 46 1.571 -6.909 -16.759 369 H LEU 47 H LEU 47 1.797 -1.593 -9.951 370 HA LEU 47 HA LEU 47 -0.166 0.380 -9.070 371 1HB LEU 47 2HB LEU 47 1.097 -0.806 -7.323 372 2HB LEU 47 1HB LEU 47 2.602 -0.287 -8.053 373 HG LEU 47 HG LEU 47 2.001 2.062 -7.549 374 1HD1 LEU 47 1HD1 LEU 47 0.162 2.502 -6.003 375 2HD1 LEU 47 2HD1 LEU 47 -0.309 0.805 -6.078 376 3HD1 LEU 47 3HD1 LEU 47 -0.421 1.814 -7.520 377 1HD2 LEU 47 1HD2 LEU 47 2.010 0.184 -5.190 378 2HD2 LEU 47 2HD2 LEU 47 2.416 1.900 -5.147 379 3HD2 LEU 47 3HD2 LEU 47 3.431 0.776 -6.051 380 H THR 48 H THR 48 -0.244 1.974 -10.492 381 HA THR 48 HA THR 48 2.288 2.920 -11.653 382 HB THR 48 HB THR 48 0.634 3.719 -13.522 383 HG1 THR 48 1HG THR 48 -0.796 1.634 -12.195 384 1HG2 THR 48 1HG2 THR 48 0.944 1.578 -14.697 385 2HG2 THR 48 2HG2 THR 48 1.403 0.816 -13.173 386 3HG2 THR 48 3HG2 THR 48 2.417 2.083 -13.866 387 H MET 49 H MET 49 2.838 4.799 -10.764 388 HA MET 49 HA MET 49 0.688 6.594 -9.845 389 1HB MET 49 2HB MET 49 3.516 6.305 -8.821 390 2HB MET 49 1HB MET 49 2.360 7.500 -8.253 391 1HG MET 49 2HG MET 49 0.895 5.705 -7.473 392 2HG MET 49 1HG MET 49 2.068 4.514 -8.028 393 1HE MET 49 1HE MET 49 2.350 4.357 -4.105 394 2HE MET 49 2HE MET 49 2.041 3.433 -5.574 395 3HE MET 49 3HE MET 49 0.888 4.659 -5.045 396 H LYS 50 H LYS 50 1.212 8.923 -9.860 397 HA LYS 50 HA LYS 50 3.140 9.630 -11.964 398 1HB LYS 50 2HB LYS 50 0.843 9.694 -12.890 399 2HB LYS 50 1HB LYS 50 0.380 10.827 -11.629 400 1HG LYS 50 2HG LYS 50 1.843 12.505 -12.515 401 2HG LYS 50 1HG LYS 50 2.520 11.363 -13.679 402 1HD LYS 50 2HD LYS 50 0.931 12.758 -14.817 403 2HD LYS 50 1HD LYS 50 0.260 11.134 -14.685 404 1HE LYS 50 2HE LYS 50 -1.520 12.553 -14.146 405 2HE LYS 50 1HE LYS 50 -0.927 11.979 -12.589 406 1HZ LYS 50 1HZ LYS 50 -0.218 14.590 -13.818 407 2HZ LYS 50 2HZ LYS 50 0.249 14.056 -12.278 408 3HZ LYS 50 3HZ LYS 50 -1.380 14.373 -12.608 409 H LEU 51 H LEU 51 4.618 10.242 -10.406 410 HA LEU 51 HA LEU 51 3.842 12.452 -8.677 411 1HB LEU 51 2HB LEU 51 5.773 12.064 -7.417 412 2HB LEU 51 1HB LEU 51 5.202 10.465 -7.829 413 HG LEU 51 HG LEU 51 6.991 10.835 -9.820 414 1HD1 LEU 51 1HD1 LEU 51 7.670 13.036 -8.982 415 2HD1 LEU 51 2HD1 LEU 51 8.994 11.874 -8.897 416 3HD1 LEU 51 3HD1 LEU 51 8.109 12.309 -7.435 417 1HD2 LEU 51 1HD2 LEU 51 8.535 9.501 -8.442 418 2HD2 LEU 51 2HD2 LEU 51 6.876 8.910 -8.351 419 3HD2 LEU 51 3HD2 LEU 51 7.549 9.854 -7.023 420 H ASP 52 H ASP 52 3.954 14.380 -9.521 421 HA ASP 52 HA ASP 52 6.043 14.863 -11.554 422 1HB ASP 52 2HB ASP 52 3.759 14.977 -12.488 423 2HB ASP 52 1HB ASP 52 3.361 16.247 -11.335 424 H GLY 53 H GLY 53 7.293 15.210 -9.565 425 1HA GLY 53 2HA GLY 53 8.281 17.586 -9.126 426 2HA GLY 53 1HA GLY 53 6.773 17.765 -8.238 427 H ASP 54 H ASP 54 6.655 17.055 -6.232 428 HA ASP 54 HA ASP 54 8.712 15.202 -5.229 429 1HB ASP 54 2HB ASP 54 7.821 17.741 -3.826 430 2HB ASP 54 1HB ASP 54 8.960 16.558 -3.193 431 H ILE 55 H ILE 55 5.752 15.163 -5.950 432 HA ILE 55 HA ILE 55 4.660 14.416 -3.349 433 HB ILE 55 HB ILE 55 2.438 15.226 -4.470 434 1HG1 ILE 55 2HG1 ILE 55 2.731 17.205 -5.919 435 2HG1 ILE 55 1HG1 ILE 55 4.470 16.958 -5.916 436 1HG2 ILE 55 1HG2 ILE 55 4.476 17.148 -3.361 437 2HG2 ILE 55 2HG2 ILE 55 3.341 16.165 -2.436 438 3HG2 ILE 55 3HG2 ILE 55 2.743 17.455 -3.479 439 1HD1 ILE 55 1HD1 ILE 55 3.487 16.193 -7.995 440 2HD1 ILE 55 2HD1 ILE 55 2.418 15.102 -7.113 441 3HD1 ILE 55 3HD1 ILE 55 4.160 14.832 -7.099 442 H VAL 56 H VAL 56 2.314 13.537 -4.138 443 HA VAL 56 HA VAL 56 2.701 11.669 -6.370 444 HB VAL 56 HB VAL 56 1.051 11.053 -3.907 445 1HG1 VAL 56 1HG1 VAL 56 1.858 9.358 -6.270 446 2HG1 VAL 56 2HG1 VAL 56 0.242 9.970 -5.918 447 3HG1 VAL 56 3HG1 VAL 56 0.985 8.778 -4.852 448 1HG2 VAL 56 1HG2 VAL 56 2.790 9.414 -3.327 449 2HG2 VAL 56 2HG2 VAL 56 3.402 11.067 -3.290 450 3HG2 VAL 56 3HG2 VAL 56 3.787 10.015 -4.651 451 H GLU 57 H GLU 57 1.448 12.493 -7.959 452 HA GLU 57 HA GLU 57 -0.894 14.065 -7.245 453 1HB GLU 57 2HB GLU 57 0.345 13.440 -9.926 454 2HB GLU 57 1HB GLU 57 -1.082 14.439 -9.707 455 1HG GLU 57 2HG GLU 57 0.265 16.003 -8.366 456 2HG GLU 57 1HG GLU 57 1.692 15.020 -8.708 457 H ASP 58 H ASP 58 -0.103 11.263 -9.262 458 HA ASP 58 HA ASP 58 -2.888 10.388 -8.867 459 1HB ASP 58 2HB ASP 58 -2.207 11.442 -11.201 460 2HB ASP 58 1HB ASP 58 -1.577 9.821 -11.483 461 H ALA 59 H ALA 59 -3.207 8.093 -9.373 462 HA ALA 59 HA ALA 59 -0.989 6.303 -9.432 463 1HB ALA 59 1HB ALA 59 -1.279 5.321 -7.213 464 2HB ALA 59 2HB ALA 59 -2.494 6.538 -6.821 465 3HB ALA 59 3HB ALA 59 -0.817 7.017 -7.087 466 H LYS 60 H LYS 60 -1.692 4.393 -10.260 467 HA LYS 60 HA LYS 60 -4.559 3.807 -9.996 468 1HB LYS 60 2HB LYS 60 -2.899 3.875 -12.490 469 2HB LYS 60 1HB LYS 60 -4.247 2.756 -12.372 470 1HG LYS 60 2HG LYS 60 -5.237 4.551 -13.391 471 2HG LYS 60 1HG LYS 60 -5.594 4.885 -11.696 472 1HD LYS 60 2HD LYS 60 -3.679 6.408 -11.600 473 2HD LYS 60 1HD LYS 60 -3.330 6.073 -13.297 474 1HE LYS 60 2HE LYS 60 -4.517 8.097 -13.321 475 2HE LYS 60 1HE LYS 60 -5.701 6.873 -13.776 476 1HZ LYS 60 1HZ LYS 60 -6.665 8.365 -12.184 477 2HZ LYS 60 2HZ LYS 60 -5.383 8.133 -11.106 478 3HZ LYS 60 3HZ LYS 60 -6.453 6.856 -11.437 479 H PHE 61 H PHE 61 -5.094 1.661 -9.876 480 HA PHE 61 HA PHE 61 -2.848 -0.169 -9.433 481 1HB PHE 61 2HB PHE 61 -4.639 -1.045 -7.599 482 2HB PHE 61 1HB PHE 61 -3.346 0.093 -7.234 483 HD1 PHE 61 1HD PHE 61 -3.837 2.189 -6.382 484 HD2 PHE 61 2HD PHE 61 -6.926 -0.056 -8.258 485 HE1 PHE 61 1HE PHE 61 -5.487 3.869 -5.668 486 HE2 PHE 61 2HE PHE 61 -8.579 1.622 -7.551 487 HZ PHE 61 HZ PHE 61 -7.861 3.588 -6.255 488 H GLU 62 H GLU 62 -3.030 -1.598 -11.028 489 HA GLU 62 HA GLU 62 -5.654 -2.842 -11.504 490 1HB GLU 62 2HB GLU 62 -4.040 -1.980 -13.399 491 2HB GLU 62 1HB GLU 62 -3.179 -3.477 -13.085 492 1HG GLU 62 2HG GLU 62 -6.088 -3.309 -13.838 493 2HG GLU 62 1HG GLU 62 -4.775 -3.597 -14.973 494 H GLY 63 H GLY 63 -5.904 -4.326 -9.898 495 1HA GLY 63 2HA GLY 63 -3.705 -6.219 -9.487 496 2HA GLY 63 1HA GLY 63 -4.347 -5.346 -8.105 497 H GLU 64 H GLU 64 -4.419 -8.191 -9.631 498 HA GLU 64 HA GLU 64 -7.158 -8.773 -8.715 499 1HB GLU 64 2HB GLU 64 -6.302 -9.104 -11.245 500 2HB GLU 64 1HB GLU 64 -5.774 -10.640 -10.570 501 1HG GLU 64 2HG GLU 64 -7.951 -10.889 -11.549 502 2HG GLU 64 1HG GLU 64 -8.070 -11.061 -9.797 503 H GLY 65 H GLY 65 -7.414 -10.880 -7.668 504 1HA GLY 65 2HA GLY 65 -5.632 -12.746 -6.978 505 2HA GLY 65 1HA GLY 65 -5.092 -11.392 -5.995 506 H CYS 66 H CYS 66 -5.706 -11.750 -3.968 507 HA CYS 66 HA CYS 66 -8.316 -12.997 -3.527 508 1HB CYS 66 2HB CYS 66 -7.407 -13.539 -1.238 509 2HB CYS 66 1HB CYS 66 -6.616 -14.367 -2.570 510 HG CYS 66 HG CYS 66 -4.940 -13.411 -0.317 511 H SER 67 H SER 67 -9.400 -12.289 -1.494 512 HA SER 67 HA SER 67 -10.399 -9.800 -1.855 513 1HB SER 67 2HB SER 67 -10.209 -11.095 0.869 514 2HB SER 67 1HB SER 67 -11.488 -10.041 0.258 515 HG SER 67 HG SER 67 -12.422 -11.736 -0.536 516 H ILE 68 H ILE 68 -7.819 -10.612 0.459 517 HA ILE 68 HA ILE 68 -7.761 -7.944 1.481 518 HB ILE 68 HB ILE 68 -5.665 -8.752 2.684 519 1HG1 ILE 68 2HG1 ILE 68 -5.666 -11.328 2.871 520 2HG1 ILE 68 1HG1 ILE 68 -6.524 -11.307 1.334 521 1HG2 ILE 68 1HG2 ILE 68 -6.998 -10.063 4.285 522 2HG2 ILE 68 2HG2 ILE 68 -8.296 -10.156 3.094 523 3HG2 ILE 68 3HG2 ILE 68 -7.815 -8.593 3.753 524 1HD1 ILE 68 1HD1 ILE 68 -4.648 -10.119 0.314 525 2HD1 ILE 68 2HD1 ILE 68 -4.158 -11.667 1.004 526 3HD1 ILE 68 3HD1 ILE 68 -3.791 -10.167 1.855 527 H SER 69 H SER 69 -6.161 -9.524 -1.142 528 HA SER 69 HA SER 69 -3.825 -7.829 -1.131 529 1HB SER 69 2HB SER 69 -4.854 -9.449 -3.473 530 2HB SER 69 1HB SER 69 -3.189 -8.960 -3.138 531 HG SER 69 HG SER 69 -4.350 -10.357 -1.103 532 H MET 70 H MET 70 -6.868 -8.027 -2.812 533 HA MET 70 HA MET 70 -6.499 -5.758 -4.487 534 1HB MET 70 2HB MET 70 -8.128 -7.422 -5.106 535 2HB MET 70 1HB MET 70 -8.959 -7.256 -3.565 536 1HG MET 70 2HG MET 70 -9.542 -4.926 -4.202 537 2HG MET 70 1HG MET 70 -8.832 -5.233 -5.786 538 1HE MET 70 1HE MET 70 -12.461 -7.589 -4.179 539 2HE MET 70 2HE MET 70 -11.621 -6.355 -3.242 540 3HE MET 70 3HE MET 70 -10.802 -7.866 -3.646 541 H ALA 71 H ALA 71 -7.361 -6.262 -1.197 542 HA ALA 71 HA ALA 71 -8.811 -3.760 -0.948 543 1HB ALA 71 1HB ALA 71 -9.548 -5.733 0.301 544 2HB ALA 71 2HB ALA 71 -9.130 -4.398 1.376 545 3HB ALA 71 3HB ALA 71 -8.015 -5.751 1.173 546 H SER 72 H SER 72 -5.856 -5.169 0.443 547 HA SER 72 HA SER 72 -5.240 -2.856 1.954 548 1HB SER 72 2HB SER 72 -3.003 -3.985 2.253 549 2HB SER 72 1HB SER 72 -4.397 -4.967 2.703 550 HG SER 72 HG SER 72 -4.135 -6.188 0.922 551 H ALA 73 H ALA 73 -4.035 -4.079 -1.144 552 HA ALA 73 HA ALA 73 -1.962 -2.231 -1.485 553 1HB ALA 73 1HB ALA 73 -2.106 -4.251 -2.810 554 2HB ALA 73 2HB ALA 73 -2.060 -2.837 -3.863 555 3HB ALA 73 3HB ALA 73 -3.586 -3.673 -3.575 556 H SER 74 H SER 74 -5.261 -2.189 -2.834 557 HA SER 74 HA SER 74 -4.953 0.293 -4.121 558 1HB SER 74 2HB SER 74 -6.658 -1.334 -4.779 559 2HB SER 74 1HB SER 74 -7.468 -1.129 -3.228 560 HG SER 74 HG SER 74 -7.090 1.262 -4.423 561 H MET 75 H MET 75 -6.090 -0.595 -0.901 562 HA MET 75 HA MET 75 -7.246 1.940 -0.312 563 1HB MET 75 2HB MET 75 -7.562 -0.416 0.836 564 2HB MET 75 1HB MET 75 -6.230 0.133 1.845 565 1HG MET 75 2HG MET 75 -8.310 0.632 2.927 566 2HG MET 75 1HG MET 75 -7.537 2.136 2.432 567 1HE MET 75 1HE MET 75 -11.374 2.914 2.047 568 2HE MET 75 2HE MET 75 -9.860 3.413 2.800 569 3HE MET 75 3HE MET 75 -10.621 1.895 3.273 570 H MET 76 H MET 76 -4.125 0.412 0.438 571 HA MET 76 HA MET 76 -3.103 2.631 1.890 572 1HB MET 76 2HB MET 76 -1.755 0.327 0.497 573 2HB MET 76 1HB MET 76 -0.856 1.559 1.372 574 1HG MET 76 2HG MET 76 -2.980 -0.214 2.555 575 2HG MET 76 1HG MET 76 -1.242 -0.462 2.702 576 1HE MET 76 1HE MET 76 0.383 1.220 4.024 577 2HE MET 76 2HE MET 76 -0.183 2.713 4.775 578 3HE MET 76 3HE MET 76 -0.216 2.538 3.019 579 H THR 77 H THR 77 -3.186 1.816 -1.508 580 HA THR 77 HA THR 77 -1.374 3.823 -2.387 581 HB THR 77 HB THR 77 -3.636 2.514 -3.917 582 HG1 THR 77 1HG THR 77 -2.176 0.950 -3.223 583 1HG2 THR 77 1HG2 THR 77 -2.348 3.117 -5.914 584 2HG2 THR 77 2HG2 THR 77 -1.166 3.949 -4.903 585 3HG2 THR 77 3HG2 THR 77 -2.819 4.554 -5.003 586 H GLN 78 H GLN 78 -4.597 3.911 -1.257 587 HA GLN 78 HA GLN 78 -5.422 6.258 -2.687 588 1HB GLN 78 2HB GLN 78 -7.017 4.536 -1.817 589 2HB GLN 78 1HB GLN 78 -6.618 5.047 -0.184 590 1HG GLN 78 2HG GLN 78 -7.440 7.228 -1.943 591 2HG GLN 78 1HG GLN 78 -8.680 6.004 -1.686 592 1HE2 GLN 78 1HE2 GLN 78 -9.963 7.431 -0.542 593 2HE2 GLN 78 2HE2 GLN 78 -9.583 7.938 1.069 594 H ALA 79 H ALA 79 -4.178 5.488 0.521 595 HA ALA 79 HA ALA 79 -4.118 8.147 1.492 596 1HB ALA 79 1HB ALA 79 -3.916 6.190 2.960 597 2HB ALA 79 2HB ALA 79 -2.569 7.309 3.175 598 3HB ALA 79 3HB ALA 79 -2.343 5.825 2.248 599 H ILE 80 H ILE 80 -1.990 6.257 -0.534 600 HA ILE 80 HA ILE 80 0.187 8.132 -0.435 601 HB ILE 80 HB ILE 80 -0.390 5.769 -2.213 602 1HG1 ILE 80 2HG1 ILE 80 0.330 5.275 0.058 603 2HG1 ILE 80 1HG1 ILE 80 1.623 4.874 -1.070 604 1HG2 ILE 80 1HG2 ILE 80 1.857 6.074 -3.185 605 2HG2 ILE 80 2HG2 ILE 80 1.982 7.629 -2.363 606 3HG2 ILE 80 3HG2 ILE 80 0.757 7.386 -3.609 607 1HD1 ILE 80 1HD1 ILE 80 1.454 7.368 0.605 608 2HD1 ILE 80 2HD1 ILE 80 2.742 6.975 -0.533 609 3HD1 ILE 80 3HD1 ILE 80 2.501 5.979 0.901 610 H LYS 81 H LYS 81 -2.579 7.587 -2.484 611 HA LYS 81 HA LYS 81 -2.018 9.219 -4.655 612 1HB LYS 81 2HB LYS 81 -3.969 7.771 -4.578 613 2HB LYS 81 1HB LYS 81 -4.648 8.702 -3.253 614 1HG LYS 81 2HG LYS 81 -4.757 10.662 -4.798 615 2HG LYS 81 1HG LYS 81 -4.287 9.577 -6.107 616 1HD LYS 81 2HD LYS 81 -6.266 8.238 -5.771 617 2HD LYS 81 1HD LYS 81 -6.705 9.178 -4.344 618 1HE LYS 81 2HE LYS 81 -6.517 10.246 -7.159 619 2HE LYS 81 1HE LYS 81 -8.011 9.833 -6.317 620 1HZ LYS 81 1HZ LYS 81 -6.091 11.848 -5.295 621 2HZ LYS 81 2HZ LYS 81 -7.682 11.575 -4.773 622 3HZ LYS 81 3HZ LYS 81 -7.391 12.243 -6.305 623 H GLY 82 H GLY 82 -2.557 10.072 -1.383 624 1HA GLY 82 2HA GLY 82 -2.786 12.909 -2.184 625 2HA GLY 82 1HA GLY 82 -3.690 12.251 -0.826 626 H LYS 83 H LYS 83 -0.315 11.655 -1.760 627 HA LYS 83 HA LYS 83 0.486 13.013 0.708 628 1HB LYS 83 2HB LYS 83 0.329 10.323 0.641 629 2HB LYS 83 1HB LYS 83 1.974 10.545 0.053 630 1HG LYS 83 2HG LYS 83 2.053 10.273 2.424 631 2HG LYS 83 1HG LYS 83 2.433 11.956 2.049 632 1HD LYS 83 2HD LYS 83 -0.354 11.840 2.350 633 2HD LYS 83 1HD LYS 83 0.312 10.878 3.670 634 1HE LYS 83 2HE LYS 83 0.151 13.065 4.516 635 2HE LYS 83 1HE LYS 83 1.853 12.847 4.123 636 1HZ LYS 83 1HZ LYS 83 1.671 14.216 2.249 637 2HZ LYS 83 2HZ LYS 83 0.743 15.012 3.429 638 3HZ LYS 83 3HZ LYS 83 -0.022 14.112 2.219 639 H ASP 84 H ASP 84 3.230 12.024 0.352 640 HA ASP 84 HA ASP 84 4.127 13.613 -1.889 641 1HB ASP 84 2HB ASP 84 5.209 14.107 0.889 642 2HB ASP 84 1HB ASP 84 5.423 15.090 -0.552 643 H ILE 85 H ILE 85 6.189 13.017 -2.456 644 HA ILE 85 HA ILE 85 7.051 10.414 -1.851 645 HB ILE 85 HB ILE 85 8.696 12.661 -3.032 646 1HG1 ILE 85 2HG1 ILE 85 6.760 12.375 -4.388 647 2HG1 ILE 85 1HG1 ILE 85 8.066 11.521 -5.204 648 1HG2 ILE 85 1HG2 ILE 85 9.087 9.676 -3.157 649 2HG2 ILE 85 2HG2 ILE 85 10.086 10.821 -2.263 650 3HG2 ILE 85 3HG2 ILE 85 10.047 10.872 -4.026 651 1HD1 ILE 85 1HD1 ILE 85 7.232 9.403 -4.329 652 2HD1 ILE 85 2HD1 ILE 85 5.992 10.248 -5.256 653 3HD1 ILE 85 3HD1 ILE 85 5.935 10.256 -3.493 654 H GLU 86 H GLU 86 7.910 13.551 -0.583 655 HA GLU 86 HA GLU 86 10.056 12.890 1.059 656 1HB GLU 86 2HB GLU 86 7.850 14.825 1.773 657 2HB GLU 86 1HB GLU 86 9.526 14.877 2.294 658 1HG GLU 86 2HG GLU 86 8.540 15.310 -0.515 659 2HG GLU 86 1HG GLU 86 9.070 16.562 0.607 660 H THR 87 H THR 87 6.574 12.777 1.673 661 HA THR 87 HA THR 87 6.866 11.830 4.358 662 HB THR 87 HB THR 87 4.331 11.602 2.761 663 HG1 THR 87 1HG THR 87 5.600 13.960 3.743 664 1HG2 THR 87 1HG2 THR 87 4.334 10.749 5.054 665 2HG2 THR 87 2HG2 THR 87 3.311 12.179 4.921 666 3HG2 THR 87 3HG2 THR 87 4.915 12.305 5.643 667 H ALA 88 H ALA 88 6.754 10.353 1.245 668 HA ALA 88 HA ALA 88 5.711 7.820 2.007 669 1HB ALA 88 1HB ALA 88 5.702 8.596 -0.310 670 2HB ALA 88 2HB ALA 88 6.540 7.052 -0.151 671 3HB ALA 88 3HB ALA 88 7.466 8.541 -0.336 672 H LEU 89 H LEU 89 9.043 8.948 1.424 673 HA LEU 89 HA LEU 89 10.260 6.554 2.293 674 1HB LEU 89 2HB LEU 89 11.243 9.378 1.987 675 2HB LEU 89 1HB LEU 89 12.273 8.138 2.676 676 HG LEU 89 HG LEU 89 12.022 6.815 0.581 677 1HD1 LEU 89 1HD1 LEU 89 9.887 7.749 -0.178 678 2HD1 LEU 89 2HD1 LEU 89 11.137 7.856 -1.417 679 3HD1 LEU 89 3HD1 LEU 89 10.684 9.291 -0.497 680 1HD2 LEU 89 1HD2 LEU 89 13.515 8.182 -0.753 681 2HD2 LEU 89 2HD2 LEU 89 13.951 8.264 0.954 682 3HD2 LEU 89 3HD2 LEU 89 13.087 9.604 0.198 683 H SER 90 H SER 90 9.019 9.328 3.918 684 HA SER 90 HA SER 90 10.155 8.750 6.474 685 1HB SER 90 2HB SER 90 9.443 11.047 5.683 686 2HB SER 90 1HB SER 90 7.772 10.513 5.861 687 HG SER 90 HG SER 90 8.082 10.293 8.056 688 H MET 91 H MET 91 7.427 7.642 4.664 689 HA MET 91 HA MET 91 5.892 6.837 6.957 690 1HB MET 91 2HB MET 91 4.253 6.139 5.511 691 2HB MET 91 1HB MET 91 5.077 7.298 4.480 692 1HG MET 91 2HG MET 91 6.297 5.476 3.404 693 2HG MET 91 1HG MET 91 5.481 4.316 4.448 694 1HE MET 91 1HE MET 91 5.564 4.229 1.205 695 2HE MET 91 2HE MET 91 3.912 3.701 0.890 696 3HE MET 91 3HE MET 91 4.826 2.986 2.217 697 H SER 92 H SER 92 8.454 5.510 5.057 698 HA SER 92 HA SER 92 8.145 2.880 6.232 699 1HB SER 92 2HB SER 92 9.098 3.305 3.900 700 2HB SER 92 1HB SER 92 10.543 3.910 4.707 701 HG SER 92 HG SER 92 9.426 1.298 4.826 702 H LYS 93 H LYS 93 9.907 5.867 6.666 703 HA LYS 93 HA LYS 93 11.681 5.005 8.684 704 1HB LYS 93 2HB LYS 93 11.856 7.216 7.600 705 2HB LYS 93 1HB LYS 93 10.342 7.703 8.352 706 1HG LYS 93 2HG LYS 93 11.487 7.259 10.581 707 2HG LYS 93 1HG LYS 93 12.992 7.186 9.662 708 1HD LYS 93 2HD LYS 93 12.676 9.415 10.555 709 2HD LYS 93 1HD LYS 93 12.541 9.449 8.796 710 1HE LYS 93 2HE LYS 93 10.099 9.422 8.987 711 2HE LYS 93 1HE LYS 93 10.235 9.395 10.744 712 1HZ LYS 93 1HZ LYS 93 9.793 11.619 9.807 713 2HZ LYS 93 2HZ LYS 93 11.293 11.573 9.021 714 3HZ LYS 93 3HZ LYS 93 11.221 11.557 10.717 715 H ILE 94 H ILE 94 8.434 6.459 8.870 716 HA ILE 94 HA ILE 94 8.191 6.057 11.674 717 HB ILE 94 HB ILE 94 6.845 7.754 10.479 718 1HG1 ILE 94 2HG1 ILE 94 5.223 5.635 11.905 719 2HG1 ILE 94 1HG1 ILE 94 6.099 6.959 12.666 720 1HG2 ILE 94 1HG2 ILE 94 6.362 6.511 8.445 721 2HG2 ILE 94 2HG2 ILE 94 4.873 7.085 9.197 722 3HG2 ILE 94 3HG2 ILE 94 5.347 5.393 9.357 723 1HD1 ILE 94 1HD1 ILE 94 3.726 7.209 10.833 724 2HD1 ILE 94 2HD1 ILE 94 4.619 8.558 11.538 725 3HD1 ILE 94 3HD1 ILE 94 3.737 7.442 12.581 726 H PHE 95 H PHE 95 7.546 4.078 8.843 727 HA PHE 95 HA PHE 95 5.842 2.161 9.929 728 1HB PHE 95 2HB PHE 95 6.540 2.217 7.555 729 2HB PHE 95 1HB PHE 95 8.143 1.666 8.024 730 HD1 PHE 95 1HD PHE 95 4.562 0.695 8.096 731 HD2 PHE 95 2HD PHE 95 8.614 -0.604 8.156 732 HE1 PHE 95 1HE PHE 95 3.814 -1.636 7.866 733 HE2 PHE 95 2HE PHE 95 7.872 -2.939 7.929 734 HZ PHE 95 HZ PHE 95 5.469 -3.456 7.780 735 H SER 96 H SER 96 9.378 2.344 10.110 736 HA SER 96 HA SER 96 9.494 0.006 11.810 737 1HB SER 96 2HB SER 96 11.958 0.527 11.838 738 2HB SER 96 1HB SER 96 11.285 0.264 10.230 739 HG SER 96 HG SER 96 11.728 2.259 9.724 740 H ASP 97 H ASP 97 9.654 3.490 12.113 741 HA ASP 97 HA ASP 97 10.757 3.634 14.699 742 1HB ASP 97 2HB ASP 97 10.648 5.560 13.165 743 2HB ASP 97 1HB ASP 97 8.897 5.597 13.344 744 H MET 98 H MET 98 7.367 3.560 13.614 745 HA MET 98 HA MET 98 6.245 3.926 16.177 746 1HB MET 98 2HB MET 98 4.148 3.187 15.226 747 2HB MET 98 1HB MET 98 4.971 4.237 14.083 748 1HG MET 98 2HG MET 98 5.709 2.289 12.813 749 2HG MET 98 1HG MET 98 4.903 1.227 13.967 750 1HE MET 98 1HE MET 98 3.604 0.051 11.945 751 2HE MET 98 2HE MET 98 4.432 1.122 10.815 752 3HE MET 98 3HE MET 98 2.680 0.946 10.739 753 H MET 99 H MET 99 7.740 1.204 14.732 754 HA MET 99 HA MET 99 6.472 -0.762 16.419 755 1HB MET 99 2HB MET 99 8.920 -0.947 14.649 756 2HB MET 99 1HB MET 99 8.193 -2.306 15.495 757 1HG MET 99 2HG MET 99 6.136 -2.004 14.217 758 2HG MET 99 1HG MET 99 6.863 -0.640 13.370 759 1HE MET 99 1HE MET 99 8.579 -4.051 14.424 760 2HE MET 99 2HE MET 99 8.296 -5.015 12.973 761 3HE MET 99 3HE MET 99 6.935 -4.502 13.973 762 H GLN 100 H GLN 100 8.717 1.611 16.935 763 HA GLN 100 HA GLN 100 9.913 0.146 19.202 764 1HB GLN 100 2HB GLN 100 11.074 2.317 17.456 765 2HB GLN 100 1HB GLN 100 11.785 1.849 18.995 766 1HG GLN 100 2HG GLN 100 11.344 -0.022 16.682 767 2HG GLN 100 1HG GLN 100 12.861 0.811 17.023 768 1HE2 GLN 100 1HE2 GLN 100 10.651 -1.666 18.063 769 2HE2 GLN 100 2HE2 GLN 100 11.731 -2.440 19.174 770 H GLY 101 H GLY 101 8.698 3.255 18.034 771 1HA GLY 101 2HA GLY 101 8.829 4.433 20.670 772 2HA GLY 101 1HA GLY 101 8.196 5.186 19.214 773 H LYS 102 H LYS 102 6.507 2.654 18.869 774 HA LYS 102 HA LYS 102 4.435 1.890 19.362 775 1HB LYS 102 2HB LYS 102 5.223 3.008 21.994 776 2HB LYS 102 1HB LYS 102 3.504 2.750 21.725 777 1HG LYS 102 2HG LYS 102 5.607 0.634 21.334 778 2HG LYS 102 1HG LYS 102 4.664 0.845 22.811 779 1HD LYS 102 2HD LYS 102 2.603 0.470 21.573 780 2HD LYS 102 1HD LYS 102 3.516 0.319 20.070 781 1HE LYS 102 2HE LYS 102 3.858 -1.486 22.461 782 2HE LYS 102 1HE LYS 102 2.829 -1.854 21.076 783 1HZ LYS 102 1HZ LYS 102 4.966 -2.915 20.849 784 2HZ LYS 102 2HZ LYS 102 5.773 -1.435 21.012 785 3HZ LYS 102 3HZ LYS 102 4.799 -1.723 19.652 786 H GLU 103 H GLU 103 5.001 5.280 20.107 787 HA GLU 103 HA GLU 103 2.346 5.972 19.141 788 1HB GLU 103 2HB GLU 103 3.040 8.300 19.691 789 2HB GLU 103 1HB GLU 103 3.110 7.203 21.062 790 1HG GLU 103 2HG GLU 103 5.578 6.962 20.563 791 2HG GLU 103 1HG GLU 103 5.385 8.329 19.465 792 H TYR 104 H TYR 104 2.173 7.633 17.406 793 HA TYR 104 HA TYR 104 4.155 7.034 15.325 794 1HB TYR 104 2HB TYR 104 1.568 7.524 14.196 795 2HB TYR 104 1HB TYR 104 2.522 6.047 14.129 796 HD1 TYR 104 1HD TYR 104 -0.229 7.787 15.768 797 HD2 TYR 104 2HD TYR 104 2.111 4.237 15.740 798 HE1 TYR 104 1HE TYR 104 -1.888 6.698 17.206 799 HE2 TYR 104 2HE TYR 104 0.453 3.130 17.173 800 HH TYR 104 HH TYR 104 -1.303 3.829 18.845 801 H ASP 105 H ASP 105 2.646 8.675 13.446 802 HA ASP 105 HA ASP 105 3.230 11.317 14.582 803 1HB ASP 105 2HB ASP 105 4.907 10.719 12.901 804 2HB ASP 105 1HB ASP 105 3.636 10.413 11.722 805 H ASP 106 H ASP 106 1.143 11.634 15.198 806 HA ASP 106 HA ASP 106 -0.617 13.086 14.908 807 1HB ASP 106 2HB ASP 106 0.476 13.611 12.592 808 2HB ASP 106 1HB ASP 106 -0.719 12.487 11.958 809 H SER 107 H SER 107 -0.206 9.912 14.334 810 HA SER 107 HA SER 107 -1.500 8.057 14.303 811 1HB SER 107 2HB SER 107 -3.795 9.898 15.044 812 2HB SER 107 1HB SER 107 -3.722 8.150 15.276 813 HG SER 107 HG SER 107 -3.182 9.699 17.112 814 H ILE 108 H ILE 108 -1.019 9.821 12.115 815 HA ILE 108 HA ILE 108 -3.020 10.572 10.456 816 HB ILE 108 HB ILE 108 -1.515 9.855 8.501 817 1HG1 ILE 108 2HG1 ILE 108 0.348 9.252 10.811 818 2HG1 ILE 108 1HG1 ILE 108 -0.339 8.054 9.720 819 1HG2 ILE 108 1HG2 ILE 108 -1.602 12.110 9.397 820 2HG2 ILE 108 2HG2 ILE 108 0.050 11.671 8.964 821 3HG2 ILE 108 3HG2 ILE 108 -0.447 11.670 10.656 822 1HD1 ILE 108 1HD1 ILE 108 0.862 9.052 7.856 823 2HD1 ILE 108 2HD1 ILE 108 1.964 8.580 9.149 824 3HD1 ILE 108 3HD1 ILE 108 1.532 10.276 8.934 825 H ASP 109 H ASP 109 -1.630 7.283 10.254 826 HA ASP 109 HA ASP 109 -4.277 6.301 9.509 827 1HB ASP 109 2HB ASP 109 -2.933 6.740 7.390 828 2HB ASP 109 1HB ASP 109 -1.844 5.463 7.926 829 H LEU 110 H LEU 110 -4.660 4.200 10.186 830 HA LEU 110 HA LEU 110 -2.524 2.771 11.547 831 1HB LEU 110 2HB LEU 110 -4.949 3.828 13.000 832 2HB LEU 110 1HB LEU 110 -3.813 2.674 13.669 833 HG LEU 110 HG LEU 110 -3.031 5.450 12.788 834 1HD1 LEU 110 1HD1 LEU 110 -4.633 5.624 14.597 835 2HD1 LEU 110 2HD1 LEU 110 -3.013 6.022 15.168 836 3HD1 LEU 110 3HD1 LEU 110 -3.719 4.451 15.544 837 1HD2 LEU 110 1HD2 LEU 110 -1.629 3.389 14.487 838 2HD2 LEU 110 2HD2 LEU 110 -1.036 5.010 14.129 839 3HD2 LEU 110 3HD2 LEU 110 -1.211 3.830 12.832 840 H GLY 111 H GLY 111 -6.064 2.914 11.190 841 1HA GLY 111 2HA GLY 111 -6.560 0.214 11.708 842 2HA GLY 111 1HA GLY 111 -7.635 1.287 10.831 843 H ASP 112 H ASP 112 -5.736 1.790 8.676 844 HA ASP 112 HA ASP 112 -6.498 -0.415 7.029 845 1HB ASP 112 2HB ASP 112 -4.703 1.954 6.439 846 2HB ASP 112 1HB ASP 112 -5.280 0.805 5.233 847 H ILE 113 H ILE 113 -3.576 0.602 8.620 848 HA ILE 113 HA ILE 113 -1.797 -1.219 7.370 849 HB ILE 113 HB ILE 113 -1.572 0.039 10.115 850 1HG1 ILE 113 2HG1 ILE 113 -0.519 1.031 7.459 851 2HG1 ILE 113 1HG1 ILE 113 -1.899 1.708 8.317 852 1HG2 ILE 113 1HG2 ILE 113 0.547 -1.092 8.292 853 2HG2 ILE 113 2HG2 ILE 113 -0.040 -1.828 9.783 854 3HG2 ILE 113 3HG2 ILE 113 0.832 -0.296 9.840 855 1HD1 ILE 113 1HD1 ILE 113 -0.443 2.346 10.163 856 2HD1 ILE 113 2HD1 ILE 113 0.101 3.050 8.641 857 3HD1 ILE 113 3HD1 ILE 113 0.939 1.653 9.316 858 H GLU 114 H GLU 114 -4.087 -1.429 9.984 859 HA GLU 114 HA GLU 114 -3.106 -3.750 11.251 860 1HB GLU 114 2HB GLU 114 -5.962 -2.766 11.056 861 2HB GLU 114 1HB GLU 114 -5.379 -3.985 12.180 862 1HG GLU 114 2HG GLU 114 -3.847 -2.268 13.139 863 2HG GLU 114 1HG GLU 114 -4.628 -1.073 12.104 864 H ALA 115 H ALA 115 -4.776 -3.272 8.277 865 HA ALA 115 HA ALA 115 -5.682 -5.972 7.970 866 1HB ALA 115 1HB ALA 115 -5.235 -3.843 5.881 867 2HB ALA 115 2HB ALA 115 -6.735 -4.120 6.764 868 3HB ALA 115 3HB ALA 115 -6.128 -5.348 5.655 869 H LEU 116 H LEU 116 -2.788 -4.156 7.093 870 HA LEU 116 HA LEU 116 -1.687 -6.241 5.439 871 1HB LEU 116 2HB LEU 116 -0.569 -3.719 6.630 872 2HB LEU 116 1HB LEU 116 0.483 -4.878 5.840 873 HG LEU 116 HG LEU 116 -1.867 -3.516 4.520 874 1HD1 LEU 116 1HD1 LEU 116 -0.073 -1.935 5.065 875 2HD1 LEU 116 2HD1 LEU 116 -0.201 -2.205 3.326 876 3HD1 LEU 116 3HD1 LEU 116 1.090 -2.980 4.246 877 1HD2 LEU 116 1HD2 LEU 116 -1.341 -5.711 3.578 878 2HD2 LEU 116 2HD2 LEU 116 0.346 -5.229 3.385 879 3HD2 LEU 116 3HD2 LEU 116 -0.918 -4.416 2.459 880 H GLN 117 H GLN 117 -1.544 -5.311 8.758 881 HA GLN 117 HA GLN 117 0.592 -6.738 9.758 882 1HB GLN 117 2HB GLN 117 -0.594 -5.196 11.111 883 2HB GLN 117 1HB GLN 117 -2.111 -6.047 10.887 884 1HG GLN 117 2HG GLN 117 -1.074 -7.960 12.163 885 2HG GLN 117 1HG GLN 117 0.236 -6.848 12.572 886 1HE2 GLN 117 1HE2 GLN 117 -3.028 -5.777 12.134 887 2HE2 GLN 117 2HE2 GLN 117 -3.361 -5.408 13.793 888 H GLY 118 H GLY 118 -2.594 -7.913 8.828 889 1HA GLY 118 2HA GLY 118 -2.461 -10.372 10.248 890 2HA GLY 118 1HA GLY 118 -3.583 -9.984 8.955 891 H VAL 119 H VAL 119 -1.831 -9.576 6.837 892 HA VAL 119 HA VAL 119 -1.257 -12.357 6.247 893 HB VAL 119 HB VAL 119 -0.910 -11.591 3.928 894 1HG1 VAL 119 1HG1 VAL 119 -3.224 -10.901 3.494 895 2HG1 VAL 119 2HG1 VAL 119 -3.441 -10.577 5.215 896 3HG1 VAL 119 3HG1 VAL 119 -3.140 -12.224 4.659 897 1HG2 VAL 119 1HG2 VAL 119 -1.400 -9.266 3.318 898 2HG2 VAL 119 2HG2 VAL 119 0.005 -9.373 4.378 899 3HG2 VAL 119 3HG2 VAL 119 -1.550 -8.854 5.026 900 H SER 120 H SER 120 0.454 -9.676 7.293 901 HA SER 120 HA SER 120 2.719 -9.431 5.835 902 1HB SER 120 2HB SER 120 2.011 -7.969 7.683 903 2HB SER 120 1HB SER 120 2.535 -9.192 8.837 904 HG SER 120 HG SER 120 4.118 -7.681 7.029 905 H LYS 121 H LYS 121 2.086 -12.398 7.469 906 HA LYS 121 HA LYS 121 4.799 -13.231 7.408 907 1HB LYS 121 2HB LYS 121 4.654 -11.558 9.381 908 2HB LYS 121 1HB LYS 121 3.773 -12.833 10.210 909 1HG LYS 121 2HG LYS 121 5.668 -14.314 10.042 910 2HG LYS 121 1HG LYS 121 6.548 -13.127 9.076 911 1HD LYS 121 2HD LYS 121 6.474 -11.562 10.980 912 2HD LYS 121 1HD LYS 121 5.652 -12.794 11.939 913 1HE LYS 121 2HE LYS 121 8.033 -12.734 12.455 914 2HE LYS 121 1HE LYS 121 7.586 -14.268 11.710 915 1HZ LYS 121 1HZ LYS 121 8.528 -13.582 9.658 916 2HZ LYS 121 2HZ LYS 121 9.680 -13.281 10.862 917 3HZ LYS 121 3HZ LYS 121 8.775 -11.998 10.211 918 H PHE 122 H PHE 122 2.028 -14.027 6.798 919 HA PHE 122 HA PHE 122 1.716 -16.456 8.393 920 1HB PHE 122 2HB PHE 122 -0.100 -14.714 7.115 921 2HB PHE 122 1HB PHE 122 -0.129 -16.202 6.174 922 HD1 PHE 122 1HD PHE 122 -0.552 -14.833 9.582 923 HD2 PHE 122 2HD PHE 122 -1.258 -18.100 6.951 924 HE1 PHE 122 1HE PHE 122 -2.055 -15.840 11.246 925 HE2 PHE 122 2HE PHE 122 -2.762 -19.115 8.610 926 HZ PHE 122 HZ PHE 122 -3.164 -17.986 10.760 927 HA PRO 123 HA PRO 123 4.125 -19.078 5.842 928 1HB PRO 123 2HB PRO 123 1.615 -20.710 5.696 929 2HB PRO 123 1HB PRO 123 3.274 -21.233 6.008 930 1HG PRO 123 2HG PRO 123 1.536 -20.948 8.007 931 2HG PRO 123 1HG PRO 123 3.238 -20.492 8.201 932 1HD PRO 123 2HD PRO 123 0.841 -18.771 7.961 933 2HD PRO 123 1HD PRO 123 2.402 -18.435 8.733 934 H ALA 124 H ALA 124 0.783 -18.590 4.721 935 HA ALA 124 HA ALA 124 1.792 -18.745 1.966 936 1HB ALA 124 1HB ALA 124 -1.010 -19.234 2.956 937 2HB ALA 124 2HB ALA 124 0.170 -20.476 2.539 938 3HB ALA 124 3HB ALA 124 -0.448 -19.392 1.293 939 H ARG 125 H ARG 125 1.290 -16.293 4.038 940 HA ARG 125 HA ARG 125 -0.177 -14.741 2.004 941 1HB ARG 125 2HB ARG 125 -0.422 -14.475 5.010 942 2HB ARG 125 1HB ARG 125 -1.252 -13.480 3.819 943 1HG ARG 125 2HG ARG 125 -2.482 -15.387 3.012 944 2HG ARG 125 1HG ARG 125 -1.585 -16.461 4.080 945 1HD ARG 125 2HD ARG 125 -2.531 -15.258 6.018 946 2HD ARG 125 1HD ARG 125 -3.487 -14.273 4.908 947 HE ARG 125 HE ARG 125 -3.942 -17.011 4.384 948 1HH1 ARG 125 1HH1 ARG 125 -4.637 -14.594 6.829 949 2HH1 ARG 125 2HH1 ARG 125 -6.149 -15.324 7.300 950 1HH2 ARG 125 1HH2 ARG 125 -5.922 -17.970 5.002 951 2HH2 ARG 125 2HH2 ARG 125 -6.862 -17.255 6.281 952 H ILE 126 H ILE 126 2.708 -15.255 3.170 953 HA ILE 126 HA ILE 126 3.476 -12.579 3.983 954 HB ILE 126 HB ILE 126 4.480 -14.482 5.153 955 1HG1 ILE 126 2HG1 ILE 126 6.512 -12.995 3.470 956 2HG1 ILE 126 1HG1 ILE 126 5.761 -12.381 4.939 957 1HG2 ILE 126 1HG2 ILE 126 6.081 -15.964 4.022 958 2HG2 ILE 126 2HG2 ILE 126 5.675 -15.208 2.481 959 3HG2 ILE 126 3HG2 ILE 126 4.452 -16.119 3.366 960 1HD1 ILE 126 1HD1 ILE 126 6.807 -14.160 6.229 961 2HD1 ILE 126 2HD1 ILE 126 8.009 -13.207 5.356 962 3HD1 ILE 126 3HD1 ILE 126 7.541 -14.799 4.757 963 H LYS 127 H LYS 127 3.698 -14.706 1.236 964 HA LYS 127 HA LYS 127 5.320 -12.967 -0.357 965 1HB LYS 127 2HB LYS 127 3.418 -15.175 -1.186 966 2HB LYS 127 1HB LYS 127 4.581 -14.386 -2.243 967 1HG LYS 127 2HG LYS 127 5.277 -16.001 0.202 968 2HG LYS 127 1HG LYS 127 5.348 -16.584 -1.461 969 1HD LYS 127 2HD LYS 127 7.014 -14.855 -1.984 970 2HD LYS 127 1HD LYS 127 6.947 -14.293 -0.312 971 1HE LYS 127 2HE LYS 127 7.738 -16.472 0.456 972 2HE LYS 127 1HE LYS 127 7.785 -17.049 -1.207 973 1HZ LYS 127 1HZ LYS 127 9.453 -15.349 -1.695 974 2HZ LYS 127 2HZ LYS 127 9.974 -16.404 -0.475 975 3HZ LYS 127 3HZ LYS 127 9.434 -14.850 -0.075 976 H CYS 128 H CYS 128 2.071 -13.102 0.629 977 HA CYS 128 HA CYS 128 1.089 -11.316 -1.429 978 1HB CYS 128 2HB CYS 128 -0.345 -13.101 -0.384 979 2HB CYS 128 1HB CYS 128 -0.281 -12.195 1.123 980 HG CYS 128 HG CYS 128 -1.539 -9.915 0.000 981 H ALA 129 H ALA 129 2.580 -11.190 1.644 982 HA ALA 129 HA ALA 129 1.774 -8.503 2.288 983 1HB ALA 129 1HB ALA 129 4.009 -10.194 3.406 984 2HB ALA 129 2HB ALA 129 2.372 -10.082 4.052 985 3HB ALA 129 3HB ALA 129 3.429 -8.670 4.078 986 H THR 130 H THR 130 4.700 -10.090 1.035 987 HA THR 130 HA THR 130 6.125 -7.693 0.542 988 HB THR 130 HB THR 130 7.305 -9.228 -1.221 989 HG1 THR 130 1HG THR 130 6.801 -11.494 -0.047 990 1HG2 THR 130 1HG2 THR 130 8.280 -8.605 0.929 991 2HG2 THR 130 2HG2 THR 130 8.600 -10.302 0.568 992 3HG2 THR 130 3HG2 THR 130 7.345 -9.868 1.728 993 H LEU 131 H LEU 131 3.777 -9.533 -1.245 994 HA LEU 131 HA LEU 131 3.753 -8.227 -3.692 995 1HB LEU 131 2HB LEU 131 2.417 -10.230 -3.033 996 2HB LEU 131 1HB LEU 131 1.395 -9.197 -2.064 997 HG LEU 131 HG LEU 131 1.636 -8.797 -5.041 998 1HD1 LEU 131 1HD1 LEU 131 1.005 -11.122 -4.657 999 2HD1 LEU 131 2HD1 LEU 131 -0.362 -10.196 -5.274 1000 3HD1 LEU 131 3HD1 LEU 131 -0.276 -10.606 -3.561 1001 1HD2 LEU 131 1HD2 LEU 131 -0.599 -7.832 -4.774 1002 2HD2 LEU 131 2HD2 LEU 131 0.575 -6.997 -3.759 1003 3HD2 LEU 131 3HD2 LEU 131 -0.542 -8.158 -3.043 1004 H SER 132 H SER 132 1.613 -7.514 -0.930 1005 HA SER 132 HA SER 132 0.642 -5.134 -2.138 1006 1HB SER 132 2HB SER 132 0.346 -5.868 0.769 1007 2HB SER 132 1HB SER 132 -0.774 -4.963 -0.250 1008 HG SER 132 HG SER 132 -0.226 -7.730 -0.218 1009 H TRP 133 H TRP 133 2.651 -5.682 0.763 1010 HA TRP 133 HA TRP 133 2.944 -2.884 1.247 1011 1HB TRP 133 2HB TRP 133 3.027 -4.094 3.213 1012 2HB TRP 133 1HB TRP 133 3.994 -5.383 2.508 1013 HD1 TRP 133 HD TRP 133 4.538 -1.631 3.429 1014 HE1 TRP 133 1HE TRP 133 6.939 -1.389 4.347 1015 HE3 TRP 133 3HE TRP 133 6.094 -6.469 2.902 1016 HZ2 TRP 133 2HZ TRP 133 9.177 -3.047 4.803 1017 HZ3 TRP 133 3HZ TRP 133 8.376 -7.059 3.603 1018 HH2 TRP 133 HH TRP 133 9.884 -5.382 4.533 1019 H LYS 134 H LYS 134 5.180 -5.392 0.011 1020 HA LYS 134 HA LYS 134 7.353 -3.522 0.090 1021 1HB LYS 134 2HB LYS 134 7.512 -6.035 0.460 1022 2HB LYS 134 1HB LYS 134 7.405 -6.197 -1.286 1023 1HG LYS 134 2HG LYS 134 9.464 -5.127 -1.626 1024 2HG LYS 134 1HG LYS 134 9.491 -4.476 0.016 1025 1HD LYS 134 2HD LYS 134 9.629 -6.828 0.856 1026 2HD LYS 134 1HD LYS 134 9.813 -7.356 -0.817 1027 1HE LYS 134 2HE LYS 134 11.633 -5.334 0.468 1028 2HE LYS 134 1HE LYS 134 11.948 -7.065 0.521 1029 1HZ LYS 134 1HZ LYS 134 12.067 -7.123 -1.859 1030 2HZ LYS 134 2HZ LYS 134 13.124 -5.923 -1.289 1031 3HZ LYS 134 3HZ LYS 134 11.639 -5.486 -1.979 1032 H ALA 135 H ALA 135 5.051 -4.503 -2.353 1033 HA ALA 135 HA ALA 135 6.586 -3.281 -4.474 1034 1HB ALA 135 1HB ALA 135 4.627 -3.634 -5.865 1035 2HB ALA 135 2HB ALA 135 3.676 -4.076 -4.448 1036 3HB ALA 135 3HB ALA 135 5.014 -5.102 -4.966 1037 H LEU 136 H LEU 136 4.249 -2.281 -2.117 1038 HA LEU 136 HA LEU 136 3.566 0.183 -3.445 1039 1HB LEU 136 2HB LEU 136 1.998 -0.939 -1.915 1040 2HB LEU 136 1HB LEU 136 3.129 -0.717 -0.594 1041 HG LEU 136 HG LEU 136 2.893 1.793 -1.028 1042 1HD1 LEU 136 1HD1 LEU 136 0.802 2.489 -2.083 1043 2HD1 LEU 136 2HD1 LEU 136 0.471 0.815 -2.530 1044 3HD1 LEU 136 3HD1 LEU 136 1.859 1.655 -3.222 1045 1HD2 LEU 136 1HD2 LEU 136 1.947 0.673 0.910 1046 2HD2 LEU 136 2HD2 LEU 136 0.523 0.221 -0.029 1047 3HD2 LEU 136 3HD2 LEU 136 0.854 1.921 0.310 1048 H GLU 137 H GLU 137 5.515 -0.794 -0.662 1049 HA GLU 137 HA GLU 137 6.408 1.798 0.019 1050 1HB GLU 137 2HB GLU 137 6.430 -0.234 1.512 1051 2HB GLU 137 1HB GLU 137 7.808 -0.822 0.591 1052 1HG GLU 137 2HG GLU 137 9.053 1.211 1.232 1053 2HG GLU 137 1HG GLU 137 7.685 1.704 2.225 1054 H LYS 138 H LYS 138 7.477 -0.551 -2.324 1055 HA LYS 138 HA LYS 138 10.022 0.809 -2.717 1056 1HB LYS 138 2HB LYS 138 9.775 -1.693 -2.900 1057 2HB LYS 138 1HB LYS 138 8.868 -1.427 -4.384 1058 1HG LYS 138 2HG LYS 138 10.927 -0.089 -5.151 1059 2HG LYS 138 1HG LYS 138 11.760 -0.904 -3.827 1060 1HD LYS 138 2HD LYS 138 11.130 -3.072 -4.780 1061 2HD LYS 138 1HD LYS 138 10.318 -2.244 -6.111 1062 1HE LYS 138 2HE LYS 138 13.256 -2.227 -5.454 1063 2HE LYS 138 1HE LYS 138 12.481 -2.926 -6.873 1064 1HZ LYS 138 1HZ LYS 138 11.782 -0.644 -7.489 1065 2HZ LYS 138 2HZ LYS 138 13.463 -0.856 -7.474 1066 3HZ LYS 138 3HZ LYS 138 12.702 -0.043 -6.197 1067 H GLY 139 H GLY 139 6.859 1.109 -3.839 1068 1HA GLY 139 2HA GLY 139 7.158 1.658 -6.558 1069 2HA GLY 139 1HA GLY 139 5.873 2.283 -5.538 1070 H VAL 140 H VAL 140 7.388 3.834 -3.779 1071 HA VAL 140 HA VAL 140 8.335 5.952 -5.595 1072 HB VAL 140 HB VAL 140 7.615 7.536 -3.780 1073 1HG1 VAL 140 1HG1 VAL 140 6.213 7.217 -5.727 1074 2HG1 VAL 140 2HG1 VAL 140 5.198 7.369 -4.291 1075 3HG1 VAL 140 3HG1 VAL 140 5.488 5.782 -5.004 1076 1HG2 VAL 140 1HG2 VAL 140 6.271 5.072 -2.668 1077 2HG2 VAL 140 2HG2 VAL 140 6.045 6.722 -2.088 1078 3HG2 VAL 140 3HG2 VAL 140 7.616 5.938 -1.928 1079 H ALA 141 H ALA 141 9.581 3.670 -3.926 1080 HA ALA 141 HA ALA 141 11.478 3.239 -2.777 1081 1HB ALA 141 1HB ALA 141 12.114 6.167 -3.128 1082 2HB ALA 141 2HB ALA 141 12.577 4.870 -4.231 1083 3HB ALA 141 3HB ALA 141 13.234 4.914 -2.595 1084 H LYS 142 H LYS 142 12.692 3.964 -0.702 1085 HA LYS 142 HA LYS 142 11.027 5.399 1.174 1086 1HB LYS 142 2HB LYS 142 11.180 3.355 2.773 1087 2HB LYS 142 1HB LYS 142 9.918 3.402 1.555 1088 1HG LYS 142 2HG LYS 142 10.781 1.200 1.590 1089 2HG LYS 142 1HG LYS 142 11.373 1.961 0.114 1090 1HD LYS 142 2HD LYS 142 13.472 1.539 0.708 1091 2HD LYS 142 1HD LYS 142 13.248 2.427 2.216 1092 1HE LYS 142 2HE LYS 142 12.504 -0.464 1.784 1093 2HE LYS 142 1HE LYS 142 13.989 0.092 2.554 1094 1HZ LYS 142 1HZ LYS 142 11.218 0.530 3.529 1095 2HZ LYS 142 2HZ LYS 142 12.605 1.209 4.243 1096 3HZ LYS 142 3HZ LYS 142 12.393 -0.471 4.226 1097 H GLU 143 H GLU 143 12.193 4.807 3.544 1098 HA GLU 143 HA GLU 143 14.747 6.020 3.326 1099 1HB GLU 143 2HB GLU 143 14.915 5.362 5.797 1100 2HB GLU 143 1HB GLU 143 13.607 6.436 5.327 1101 1HG GLU 143 2HG GLU 143 12.670 4.892 6.822 1102 2HG GLU 143 1HG GLU 143 12.128 4.402 5.220 1103 H GLU 144 H GLU 144 16.389 4.586 5.125 1104 HA GLU 144 HA GLU 144 17.004 2.242 3.460 1105 1HB GLU 144 2HB GLU 144 18.870 3.847 5.211 1106 2HB GLU 144 1HB GLU 144 19.323 2.441 4.257 1107 1HG GLU 144 2HG GLU 144 18.546 3.723 2.230 1108 2HG GLU 144 1HG GLU 144 18.453 5.138 3.276 1109 H GLY 145 H GLY 145 15.399 1.088 4.704 1110 1HA GLY 145 2HA GLY 145 16.663 -0.171 7.023 1111 2HA GLY 145 1HA GLY 145 15.047 0.492 7.221 1112 H GLY 146 H GLY 146 16.356 -2.308 7.098 1113 1HA GLY 146 2HA GLY 146 14.241 -3.858 6.451 1114 2HA GLY 146 1HA GLY 146 14.995 -3.562 4.888 1115 H ASN 147 H ASN 147 15.132 -5.295 7.834 1116 HA ASN 147 HA ASN 147 16.442 -6.972 8.619 1117 1HB ASN 147 2HB ASN 147 17.258 -7.189 5.711 1118 2HB ASN 147 1HB ASN 147 17.668 -8.369 6.951 1119 1HD2 ASN 147 1HD2 ASN 147 16.090 -8.660 4.494 1120 2HD2 ASN 147 2HD2 ASN 147 14.550 -9.264 5.005 Start of MODEL 8 1 1H MET 1 1HT MET 1 -8.065 -19.585 7.843 2 2H MET 1 2HT MET 1 -7.061 -19.335 9.191 3 3H MET 1 3HT MET 1 -7.385 -18.062 8.127 4 HA MET 1 HA MET 1 -9.707 -18.085 8.734 5 1HB MET 1 2HB MET 1 -8.809 -20.194 10.712 6 2HB MET 1 1HB MET 1 -10.388 -19.423 10.714 7 1HG MET 1 2HG MET 1 -10.837 -20.365 8.499 8 2HG MET 1 1HG MET 1 -9.261 -21.153 8.524 9 1HE MET 1 1HE MET 1 -9.093 -22.014 11.630 10 2HE MET 1 2HE MET 1 -8.593 -23.046 10.292 11 3HE MET 1 3HE MET 1 -9.692 -23.670 11.522 12 H SER 2 H SER 2 -10.179 -16.372 10.011 13 HA SER 2 HA SER 2 -8.427 -15.856 12.306 14 1HB SER 2 2HB SER 2 -7.591 -14.456 10.493 15 2HB SER 2 1HB SER 2 -9.208 -13.810 10.215 16 HG SER 2 HG SER 2 -7.374 -13.237 12.224 17 H PHE 3 H PHE 3 -10.958 -13.822 10.912 18 HA PHE 3 HA PHE 3 -12.860 -12.942 11.774 19 1HB PHE 3 2HB PHE 3 -12.983 -15.616 13.186 20 2HB PHE 3 1HB PHE 3 -14.304 -14.451 13.146 21 HD1 PHE 3 1HD PHE 3 -15.401 -13.916 10.980 22 HD2 PHE 3 2HD PHE 3 -12.537 -17.041 11.364 23 HE1 PHE 3 1HE PHE 3 -16.175 -14.882 8.854 24 HE2 PHE 3 2HE PHE 3 -13.305 -18.011 9.239 25 HZ PHE 3 HZ PHE 3 -15.126 -16.932 7.983 26 H ASN 4 H ASN 4 -10.245 -12.666 13.174 27 HA ASN 4 HA ASN 4 -11.298 -11.610 15.693 28 1HB ASN 4 2HB ASN 4 -10.254 -13.879 16.076 29 2HB ASN 4 1HB ASN 4 -8.728 -13.211 15.514 30 1HD2 ASN 4 1HD2 ASN 4 -7.758 -13.671 17.502 31 2HD2 ASN 4 2HD2 ASN 4 -8.077 -12.710 18.906 32 H ALA 5 H ALA 5 -9.425 -10.254 16.749 33 HA ALA 5 HA ALA 5 -8.008 -8.487 16.675 34 1HB ALA 5 1HB ALA 5 -7.123 -9.609 14.017 35 2HB ALA 5 2HB ALA 5 -6.477 -10.075 15.590 36 3HB ALA 5 3HB ALA 5 -6.254 -8.429 14.997 37 H ASN 6 H ASN 6 -10.714 -8.502 15.318 38 HA ASN 6 HA ASN 6 -12.096 -7.010 14.304 39 1HB ASN 6 2HB ASN 6 -10.968 -5.432 15.851 40 2HB ASN 6 1HB ASN 6 -9.765 -5.097 14.614 41 1HD2 ASN 6 1HD2 ASN 6 -10.220 -3.651 13.032 42 2HD2 ASN 6 2HD2 ASN 6 -11.694 -2.757 12.938 43 H LEU 7 H LEU 7 -9.773 -8.472 12.780 44 HA LEU 7 HA LEU 7 -9.156 -6.754 10.587 45 1HB LEU 7 2HB LEU 7 -7.628 -8.515 11.361 46 2HB LEU 7 1HB LEU 7 -8.784 -9.737 10.873 47 HG LEU 7 HG LEU 7 -8.535 -8.983 8.518 48 1HD1 LEU 7 1HD1 LEU 7 -7.843 -6.688 8.937 49 2HD1 LEU 7 2HD1 LEU 7 -6.655 -7.528 7.939 50 3HD1 LEU 7 3HD1 LEU 7 -6.334 -7.260 9.652 51 1HD2 LEU 7 1HD2 LEU 7 -6.315 -9.964 8.187 52 2HD2 LEU 7 2HD2 LEU 7 -7.259 -10.879 9.363 53 3HD2 LEU 7 3HD2 LEU 7 -5.983 -9.791 9.910 54 H ASP 8 H ASP 8 -11.266 -9.574 10.996 55 HA ASP 8 HA ASP 8 -12.041 -9.837 8.329 56 1HB ASP 8 2HB ASP 8 -12.437 -11.578 10.020 57 2HB ASP 8 1HB ASP 8 -13.649 -10.553 10.789 58 H THR 9 H THR 9 -13.580 -8.020 10.962 59 HA THR 9 HA THR 9 -15.791 -7.234 9.330 60 HB THR 9 HB THR 9 -16.057 -7.415 11.758 61 HG1 THR 9 1HG THR 9 -17.487 -5.843 11.720 62 1HG2 THR 9 1HG2 THR 9 -15.113 -5.726 13.258 63 2HG2 THR 9 2HG2 THR 9 -14.218 -5.026 11.910 64 3HG2 THR 9 3HG2 THR 9 -13.843 -6.658 12.466 65 H LEU 10 H LEU 10 -12.610 -5.996 9.875 66 HA LEU 10 HA LEU 10 -13.122 -3.295 9.138 67 1HB LEU 10 2HB LEU 10 -11.138 -3.939 10.421 68 2HB LEU 10 1HB LEU 10 -10.562 -4.898 9.071 69 HG LEU 10 HG LEU 10 -10.324 -2.843 7.725 70 1HD1 LEU 10 1HD1 LEU 10 -10.477 -0.660 8.823 71 2HD1 LEU 10 2HD1 LEU 10 -11.108 -1.439 10.273 72 3HD1 LEU 10 3HD1 LEU 10 -12.037 -1.481 8.775 73 1HD2 LEU 10 1HD2 LEU 10 -8.908 -2.836 10.384 74 2HD2 LEU 10 2HD2 LEU 10 -8.404 -1.914 8.968 75 3HD2 LEU 10 3HD2 LEU 10 -8.402 -3.677 8.920 76 H TYR 11 H TYR 11 -11.720 -6.057 7.378 77 HA TYR 11 HA TYR 11 -11.590 -4.560 4.953 78 1HB TYR 11 2HB TYR 11 -10.606 -6.438 3.938 79 2HB TYR 11 1HB TYR 11 -10.018 -6.465 5.592 80 HD1 TYR 11 1HD TYR 11 -10.373 -8.351 6.961 81 HD2 TYR 11 2HD TYR 11 -12.458 -8.038 3.266 82 HE1 TYR 11 1HE TYR 11 -11.100 -10.690 7.177 83 HE2 TYR 11 2HE TYR 11 -13.197 -10.371 3.478 84 HH TYR 11 HH TYR 11 -13.016 -12.112 6.329 85 H ARG 12 H ARG 12 -13.978 -6.500 6.501 86 HA ARG 12 HA ARG 12 -15.539 -7.080 4.210 87 1HB ARG 12 2HB ARG 12 -15.811 -8.071 6.538 88 2HB ARG 12 1HB ARG 12 -16.615 -6.574 6.985 89 1HG ARG 12 2HG ARG 12 -18.355 -6.963 5.374 90 2HG ARG 12 1HG ARG 12 -17.520 -8.391 4.762 91 1HD ARG 12 2HD ARG 12 -19.245 -9.152 6.200 92 2HD ARG 12 1HD ARG 12 -17.721 -9.373 7.059 93 HE ARG 12 HE ARG 12 -19.544 -7.103 7.562 94 1HH1 ARG 12 1HH1 ARG 12 -17.348 -9.599 8.705 95 2HH1 ARG 12 2HH1 ARG 12 -17.594 -9.220 10.386 96 1HH2 ARG 12 1HH2 ARG 12 -19.854 -6.596 9.762 97 2HH2 ARG 12 2HH2 ARG 12 -19.008 -7.502 10.986 98 H GLN 13 H GLN 13 -15.300 -4.320 6.368 99 HA GLN 13 HA GLN 13 -17.319 -2.780 5.057 100 1HB GLN 13 2HB GLN 13 -15.061 -2.035 6.920 101 2HB GLN 13 1HB GLN 13 -16.144 -0.836 6.226 102 1HG GLN 13 2HG GLN 13 -16.958 -3.136 7.989 103 2HG GLN 13 1HG GLN 13 -16.793 -1.453 8.490 104 1HE2 GLN 13 1HE2 GLN 13 -18.732 -3.765 6.808 105 2HE2 GLN 13 2HE2 GLN 13 -20.111 -2.744 6.559 106 H VAL 14 H VAL 14 -13.808 -3.141 4.798 107 HA VAL 14 HA VAL 14 -13.347 -1.088 2.933 108 HB VAL 14 HB VAL 14 -11.884 -3.717 3.262 109 1HG1 VAL 14 1HG1 VAL 14 -11.460 -2.748 1.055 110 2HG1 VAL 14 2HG1 VAL 14 -10.029 -2.655 2.082 111 3HG1 VAL 14 3HG1 VAL 14 -11.015 -1.217 1.809 112 1HG2 VAL 14 1HG2 VAL 14 -11.318 -0.956 4.336 113 2HG2 VAL 14 2HG2 VAL 14 -10.252 -2.351 4.503 114 3HG2 VAL 14 3HG2 VAL 14 -11.842 -2.358 5.268 115 H ILE 15 H ILE 15 -14.010 -4.545 2.398 116 HA ILE 15 HA ILE 15 -14.013 -4.521 -0.391 117 HB ILE 15 HB ILE 15 -15.557 -6.262 1.536 118 1HG1 ILE 15 2HG1 ILE 15 -13.110 -6.459 1.628 119 2HG1 ILE 15 1HG1 ILE 15 -13.854 -7.932 1.013 120 1HG2 ILE 15 1HG2 ILE 15 -15.887 -7.814 -0.363 121 2HG2 ILE 15 2HG2 ILE 15 -15.276 -6.566 -1.450 122 3HG2 ILE 15 3HG2 ILE 15 -16.764 -6.295 -0.543 123 1HD1 ILE 15 1HD1 ILE 15 -13.260 -7.279 -1.260 124 2HD1 ILE 15 2HD1 ILE 15 -11.841 -7.365 -0.217 125 3HD1 ILE 15 3HD1 ILE 15 -12.529 -5.798 -0.643 126 H MET 16 H MET 16 -16.740 -4.129 1.865 127 HA MET 16 HA MET 16 -18.739 -4.001 -0.092 128 1HB MET 16 2HB MET 16 -19.176 -4.409 2.287 129 2HB MET 16 1HB MET 16 -18.722 -2.752 2.657 130 1HG MET 16 2HG MET 16 -20.598 -1.925 1.354 131 2HG MET 16 1HG MET 16 -21.041 -3.577 0.923 132 1HE MET 16 1HE MET 16 -21.976 -5.037 4.466 133 2HE MET 16 2HE MET 16 -20.372 -5.030 3.735 134 3HE MET 16 3HE MET 16 -21.788 -5.402 2.750 135 H ASP 17 H ASP 17 -17.138 -1.316 1.639 136 HA ASP 17 HA ASP 17 -18.651 0.665 0.258 137 1HB ASP 17 2HB ASP 17 -17.618 0.948 2.533 138 2HB ASP 17 1HB ASP 17 -16.054 1.085 1.739 139 H HIS 18 H HIS 18 -15.444 -0.732 -0.207 140 HA HIS 18 HA HIS 18 -14.740 1.151 -2.260 141 1HB HIS 18 2HB HIS 18 -13.037 0.019 -0.814 142 2HB HIS 18 1HB HIS 18 -13.397 -1.489 -1.650 143 HD1 HIS 18 1HD HIS 18 -11.935 1.936 -2.298 144 HD2 HIS 18 2HD HIS 18 -12.113 -1.828 -4.054 145 HE1 HIS 18 1HE HIS 18 -10.392 2.040 -4.280 146 HE2 HIS 18 2HE HIS 18 -10.623 -0.205 -5.407 147 H TYR 19 H TYR 19 -16.486 -1.811 -2.148 148 HA TYR 19 HA TYR 19 -16.236 -2.527 -4.891 149 1HB TYR 19 2HB TYR 19 -17.130 -4.019 -3.073 150 2HB TYR 19 1HB TYR 19 -18.590 -3.038 -3.055 151 HD1 TYR 19 1HD TYR 19 -20.340 -3.477 -4.551 152 HD2 TYR 19 2HD TYR 19 -16.519 -5.217 -5.239 153 HE1 TYR 19 1HE TYR 19 -21.302 -4.875 -6.328 154 HE2 TYR 19 2HE TYR 19 -17.470 -6.623 -7.019 155 HH TYR 19 HH TYR 19 -19.627 -7.522 -7.705 156 H LYS 20 H LYS 20 -18.247 -0.334 -3.071 157 HA LYS 20 HA LYS 20 -19.919 0.455 -5.249 158 1HB LYS 20 2HB LYS 20 -20.472 0.740 -2.814 159 2HB LYS 20 1HB LYS 20 -19.239 1.987 -2.730 160 1HG LYS 20 2HG LYS 20 -20.469 3.377 -4.261 161 2HG LYS 20 1HG LYS 20 -21.667 2.101 -4.505 162 1HD LYS 20 2HD LYS 20 -22.303 2.229 -2.155 163 2HD LYS 20 1HD LYS 20 -21.072 3.461 -1.876 164 1HE LYS 20 2HE LYS 20 -23.379 3.766 -3.791 165 2HE LYS 20 1HE LYS 20 -23.383 4.355 -2.129 166 1HZ LYS 20 1HZ LYS 20 -22.792 6.135 -3.576 167 2HZ LYS 20 2HZ LYS 20 -21.575 5.222 -4.320 168 3HZ LYS 20 3HZ LYS 20 -21.410 5.698 -2.700 169 H ASN 21 H ASN 21 -16.752 1.242 -4.143 170 HA ASN 21 HA ASN 21 -16.442 3.538 -5.902 171 1HB ASN 21 2HB ASN 21 -14.379 1.982 -4.315 172 2HB ASN 21 1HB ASN 21 -14.078 3.482 -5.178 173 1HD2 ASN 21 1HD2 ASN 21 -16.655 4.632 -4.342 174 2HD2 ASN 21 2HD2 ASN 21 -16.449 5.052 -2.673 175 HA PRO 22 HA PRO 22 -14.614 1.277 -9.390 176 1HB PRO 22 2HB PRO 22 -12.109 2.828 -8.974 177 2HB PRO 22 1HB PRO 22 -13.081 2.638 -10.437 178 1HG PRO 22 2HG PRO 22 -13.113 4.917 -9.053 179 2HG PRO 22 1HG PRO 22 -14.588 4.281 -9.804 180 1HD PRO 22 2HD PRO 22 -13.745 4.227 -6.937 181 2HD PRO 22 1HD PRO 22 -15.362 4.460 -7.633 182 H ARG 23 H ARG 23 -13.824 -0.735 -9.238 183 HA ARG 23 HA ARG 23 -12.637 -1.791 -6.948 184 1HB ARG 23 2HB ARG 23 -13.828 -3.047 -8.812 185 2HB ARG 23 1HB ARG 23 -12.330 -2.945 -9.726 186 1HG ARG 23 2HG ARG 23 -11.268 -4.039 -7.629 187 2HG ARG 23 1HG ARG 23 -12.929 -4.495 -7.247 188 1HD ARG 23 2HD ARG 23 -12.019 -6.314 -8.447 189 2HD ARG 23 1HD ARG 23 -13.058 -5.458 -9.588 190 HE ARG 23 HE ARG 23 -10.286 -4.646 -9.643 191 1HH1 ARG 23 1HH1 ARG 23 -12.689 -6.828 -10.979 192 2HH1 ARG 23 2HH1 ARG 23 -11.746 -7.169 -12.402 193 1HH2 ARG 23 1HH2 ARG 23 -9.063 -5.103 -11.508 194 2HH2 ARG 23 2HH2 ARG 23 -9.694 -6.205 -12.701 195 H ASN 24 H ASN 24 -11.019 -1.815 -10.086 196 HA ASN 24 HA ASN 24 -8.858 -0.185 -9.472 197 1HB ASN 24 2HB ASN 24 -7.041 -1.972 -9.380 198 2HB ASN 24 1HB ASN 24 -7.972 -1.727 -7.911 199 1HD2 ASN 24 1HD2 ASN 24 -9.041 -3.390 -7.044 200 2HD2 ASN 24 2HD2 ASN 24 -9.092 -4.984 -7.721 201 H LYS 25 H LYS 25 -8.458 0.555 -11.412 202 HA LYS 25 HA LYS 25 -7.880 -1.270 -13.604 203 1HB LYS 25 2HB LYS 25 -10.086 0.793 -13.701 204 2HB LYS 25 1HB LYS 25 -9.357 0.108 -15.144 205 1HG LYS 25 2HG LYS 25 -10.747 -1.492 -13.010 206 2HG LYS 25 1HG LYS 25 -11.495 -0.945 -14.513 207 1HD LYS 25 2HD LYS 25 -9.855 -2.216 -15.799 208 2HD LYS 25 1HD LYS 25 -9.081 -2.742 -14.302 209 1HE LYS 25 2HE LYS 25 -10.554 -4.469 -15.212 210 2HE LYS 25 1HE LYS 25 -11.111 -3.901 -13.639 211 1HZ LYS 25 1HZ LYS 25 -12.800 -2.602 -14.677 212 2HZ LYS 25 2HZ LYS 25 -12.891 -4.166 -15.334 213 3HZ LYS 25 3HZ LYS 25 -12.184 -2.911 -16.227 214 H GLY 26 H GLY 26 -5.833 -0.550 -14.055 215 1HA GLY 26 2HA GLY 26 -5.407 1.454 -15.781 216 2HA GLY 26 1HA GLY 26 -5.335 2.303 -14.248 217 H VAL 27 H VAL 27 -3.356 1.609 -16.439 218 HA VAL 27 HA VAL 27 -1.190 0.995 -14.562 219 HB VAL 27 HB VAL 27 -1.250 -0.075 -17.396 220 1HG1 VAL 27 1HG1 VAL 27 0.982 0.440 -16.552 221 2HG1 VAL 27 2HG1 VAL 27 0.755 -1.299 -16.729 222 3HG1 VAL 27 3HG1 VAL 27 0.680 -0.560 -15.130 223 1HG2 VAL 27 1HG2 VAL 27 -2.865 -1.302 -16.067 224 2HG2 VAL 27 2HG2 VAL 27 -1.664 -1.552 -14.798 225 3HG2 VAL 27 3HG2 VAL 27 -1.452 -2.310 -16.377 226 H LEU 28 H LEU 28 -0.198 2.935 -14.447 227 HA LEU 28 HA LEU 28 -0.056 4.585 -16.886 228 1HB LEU 28 2HB LEU 28 -1.094 5.315 -14.590 229 2HB LEU 28 1HB LEU 28 0.574 5.568 -14.128 230 HG LEU 28 HG LEU 28 -0.738 6.917 -16.489 231 1HD1 LEU 28 1HD1 LEU 28 -1.814 7.568 -14.384 232 2HD1 LEU 28 2HD1 LEU 28 -0.890 8.895 -15.091 233 3HD1 LEU 28 3HD1 LEU 28 -0.239 7.999 -13.719 234 1HD2 LEU 28 1HD2 LEU 28 1.840 7.493 -15.036 235 2HD2 LEU 28 2HD2 LEU 28 1.166 8.432 -16.370 236 3HD2 LEU 28 3HD2 LEU 28 1.695 6.770 -16.637 237 H ASN 29 H ASN 29 1.755 3.556 -17.812 238 HA ASN 29 HA ASN 29 4.215 3.306 -16.339 239 1HB ASN 29 2HB ASN 29 3.700 3.093 -19.318 240 2HB ASN 29 1HB ASN 29 5.198 2.645 -18.505 241 1HD2 ASN 29 1HD2 ASN 29 5.302 0.747 -17.357 242 2HD2 ASN 29 2HD2 ASN 29 4.052 -0.452 -17.401 243 H ASP 30 H ASP 30 5.031 5.204 -15.661 244 HA ASP 30 HA ASP 30 5.949 7.078 -17.680 245 1HB ASP 30 2HB ASP 30 3.789 8.022 -17.173 246 2HB ASP 30 1HB ASP 30 4.091 7.895 -15.442 247 H SER 31 H SER 31 5.535 7.210 -14.140 248 HA SER 31 HA SER 31 8.442 7.606 -13.954 249 1HB SER 31 2HB SER 31 7.568 8.779 -11.700 250 2HB SER 31 1HB SER 31 7.720 9.646 -13.230 251 HG SER 31 HG SER 31 5.563 9.499 -13.554 252 H ILE 32 H ILE 32 5.867 6.896 -11.574 253 HA ILE 32 HA ILE 32 7.530 4.775 -10.484 254 HB ILE 32 HB ILE 32 4.825 5.798 -9.622 255 1HG1 ILE 32 2HG1 ILE 32 7.598 6.028 -8.444 256 2HG1 ILE 32 1HG1 ILE 32 6.617 7.332 -9.111 257 1HG2 ILE 32 1HG2 ILE 32 5.072 4.339 -7.660 258 2HG2 ILE 32 2HG2 ILE 32 6.525 3.640 -8.374 259 3HG2 ILE 32 3HG2 ILE 32 4.961 3.415 -9.160 260 1HD1 ILE 32 1HD1 ILE 32 5.970 5.725 -6.655 261 2HD1 ILE 32 2HD1 ILE 32 5.006 7.046 -7.315 262 3HD1 ILE 32 3HD1 ILE 32 6.622 7.363 -6.685 263 H VAL 33 H VAL 33 7.479 2.842 -11.279 264 HA VAL 33 HA VAL 33 4.949 1.759 -12.306 265 HB VAL 33 HB VAL 33 7.634 1.311 -13.629 266 1HG1 VAL 33 1HG1 VAL 33 6.154 -0.602 -13.818 267 2HG1 VAL 33 2HG1 VAL 33 6.318 0.199 -15.380 268 3HG1 VAL 33 3HG1 VAL 33 4.858 0.433 -14.418 269 1HG2 VAL 33 1HG2 VAL 33 6.770 2.620 -15.502 270 2HG2 VAL 33 2HG2 VAL 33 6.843 3.590 -14.032 271 3HG2 VAL 33 3HG2 VAL 33 5.296 2.958 -14.594 272 H VAL 34 H VAL 34 4.645 0.555 -10.439 273 HA VAL 34 HA VAL 34 6.720 -1.458 -9.894 274 HB VAL 34 HB VAL 34 4.634 -0.445 -7.955 275 1HG1 VAL 34 1HG1 VAL 34 5.968 -1.665 -6.291 276 2HG1 VAL 34 2HG1 VAL 34 7.012 -2.263 -7.582 277 3HG1 VAL 34 3HG1 VAL 34 5.315 -2.737 -7.529 278 1HG2 VAL 34 1HG2 VAL 34 7.586 0.167 -8.103 279 2HG2 VAL 34 2HG2 VAL 34 6.484 0.686 -6.826 280 3HG2 VAL 34 3HG2 VAL 34 6.277 1.289 -8.471 281 H ASP 35 H ASP 35 6.130 -3.199 -10.990 282 HA ASP 35 HA ASP 35 3.376 -4.195 -10.686 283 1HB ASP 35 2HB ASP 35 5.547 -5.204 -12.551 284 2HB ASP 35 1HB ASP 35 3.860 -5.699 -12.542 285 H MET 36 H MET 36 3.073 -5.872 -9.249 286 HA MET 36 HA MET 36 5.445 -7.342 -8.449 287 1HB MET 36 2HB MET 36 4.758 -5.616 -6.749 288 2HB MET 36 1HB MET 36 3.224 -6.457 -6.598 289 1HG MET 36 2HG MET 36 4.493 -7.192 -4.792 290 2HG MET 36 1HG MET 36 4.577 -8.504 -5.963 291 1HE MET 36 1HE MET 36 6.749 -7.824 -8.040 292 2HE MET 36 2HE MET 36 6.791 -9.327 -7.118 293 3HE MET 36 3HE MET 36 8.240 -8.333 -7.248 294 H ASN 37 H ASN 37 4.842 -9.365 -7.488 295 HA ASN 37 HA ASN 37 2.377 -10.568 -8.326 296 1HB ASN 37 2HB ASN 37 3.375 -12.143 -9.910 297 2HB ASN 37 1HB ASN 37 3.620 -10.489 -10.451 298 1HD2 ASN 37 1HD2 ASN 37 5.687 -9.649 -10.529 299 2HD2 ASN 37 2HD2 ASN 37 7.107 -10.619 -10.306 300 H ASN 38 H ASN 38 1.887 -12.265 -7.120 301 HA ASN 38 HA ASN 38 4.046 -14.095 -6.350 302 1HB ASN 38 2HB ASN 38 3.316 -12.823 -4.303 303 2HB ASN 38 1HB ASN 38 1.682 -13.421 -4.559 304 1HD2 ASN 38 1HD2 ASN 38 3.697 -13.786 -2.348 305 2HD2 ASN 38 2HD2 ASN 38 3.789 -15.502 -2.131 306 HA PRO 39 HA PRO 39 1.198 -15.697 -9.393 307 1HB PRO 39 2HB PRO 39 3.120 -17.926 -9.574 308 2HB PRO 39 1HB PRO 39 2.608 -16.774 -10.810 309 1HG PRO 39 2HG PRO 39 5.042 -16.636 -9.726 310 2HG PRO 39 1HG PRO 39 4.132 -15.169 -10.136 311 1HD PRO 39 2HD PRO 39 4.498 -16.483 -7.461 312 2HD PRO 39 1HD PRO 39 4.595 -14.761 -7.890 313 H THR 40 H THR 40 0.369 -16.322 -6.811 314 HA THR 40 HA THR 40 -1.085 -18.717 -7.413 315 HB THR 40 HB THR 40 0.674 -18.678 -4.945 316 HG1 THR 40 1HG THR 40 1.182 -19.542 -7.380 317 1HG2 THR 40 1HG2 THR 40 -1.345 -20.741 -5.834 318 2HG2 THR 40 2HG2 THR 40 -1.539 -19.634 -4.476 319 3HG2 THR 40 3HG2 THR 40 -0.278 -20.866 -4.433 320 H CYS 41 H CYS 41 -0.304 -16.211 -5.011 321 HA CYS 41 HA CYS 41 -3.141 -16.149 -4.243 322 1HB CYS 41 2HB CYS 41 -1.685 -17.519 -2.673 323 2HB CYS 41 1HB CYS 41 -0.889 -16.013 -2.243 324 HG CYS 41 HG CYS 41 -3.296 -17.317 -0.721 325 H GLY 42 H GLY 42 -0.791 -14.495 -5.596 326 1HA GLY 42 2HA GLY 42 -1.929 -11.931 -4.910 327 2HA GLY 42 1HA GLY 42 -0.247 -12.128 -4.419 328 H ASP 43 H ASP 43 -2.045 -13.254 -7.191 329 HA ASP 43 HA ASP 43 -0.135 -13.504 -9.032 330 1HB ASP 43 2HB ASP 43 -2.520 -14.095 -9.335 331 2HB ASP 43 1HB ASP 43 -2.868 -12.403 -9.676 332 H ARG 44 H ARG 44 -2.099 -10.446 -9.090 333 HA ARG 44 HA ARG 44 0.337 -9.154 -10.123 334 1HB ARG 44 2HB ARG 44 -2.399 -9.061 -11.387 335 2HB ARG 44 1HB ARG 44 -1.105 -7.945 -11.792 336 1HG ARG 44 2HG ARG 44 0.239 -9.735 -12.658 337 2HG ARG 44 1HG ARG 44 -0.937 -10.934 -12.109 338 1HD ARG 44 2HD ARG 44 -2.613 -9.950 -13.604 339 2HD ARG 44 1HD ARG 44 -1.422 -8.780 -14.165 340 HE ARG 44 HE ARG 44 -0.137 -10.816 -14.941 341 1HH1 ARG 44 1HH1 ARG 44 -3.628 -10.736 -14.708 342 2HH1 ARG 44 2HH1 ARG 44 -3.874 -11.955 -15.919 343 1HH2 ARG 44 1HH2 ARG 44 -0.448 -12.414 -16.553 344 2HH2 ARG 44 2HH2 ARG 44 -2.066 -12.880 -16.997 345 H ILE 45 H ILE 45 0.702 -7.139 -9.339 346 HA ILE 45 HA ILE 45 -1.669 -5.527 -8.794 347 HB ILE 45 HB ILE 45 -1.029 -6.077 -6.564 348 1HG1 ILE 45 2HG1 ILE 45 0.077 -3.342 -7.248 349 2HG1 ILE 45 1HG1 ILE 45 -1.624 -3.720 -7.000 350 1HG2 ILE 45 1HG2 ILE 45 1.217 -6.893 -6.992 351 2HG2 ILE 45 2HG2 ILE 45 1.212 -5.723 -5.671 352 3HG2 ILE 45 3HG2 ILE 45 1.775 -5.245 -7.274 353 1HD1 ILE 45 1HD1 ILE 45 -1.143 -4.323 -4.684 354 2HD1 ILE 45 2HD1 ILE 45 -0.674 -2.662 -5.046 355 3HD1 ILE 45 3HD1 ILE 45 0.556 -3.921 -4.938 356 H ARG 46 H ARG 46 -1.591 -4.114 -10.326 357 HA ARG 46 HA ARG 46 0.963 -3.045 -11.262 358 1HB ARG 46 2HB ARG 46 -1.713 -2.181 -12.318 359 2HB ARG 46 1HB ARG 46 -0.176 -2.286 -13.160 360 1HG ARG 46 2HG ARG 46 -1.849 -4.637 -12.301 361 2HG ARG 46 1HG ARG 46 -1.794 -3.957 -13.926 362 1HD ARG 46 2HD ARG 46 0.522 -5.186 -12.437 363 2HD ARG 46 1HD ARG 46 -0.397 -5.951 -13.731 364 HE ARG 46 HE ARG 46 1.593 -3.834 -13.984 365 1HH1 ARG 46 1HH1 ARG 46 -0.905 -5.759 -15.554 366 2HH1 ARG 46 2HH1 ARG 46 -0.293 -5.462 -17.157 367 1HH2 ARG 46 1HH2 ARG 46 2.362 -3.426 -16.082 368 2HH2 ARG 46 2HH2 ARG 46 1.548 -4.114 -17.458 369 H LEU 47 H LEU 47 1.707 -1.421 -10.008 370 HA LEU 47 HA LEU 47 -0.227 0.624 -9.166 371 1HB LEU 47 2HB LEU 47 0.564 -0.707 -7.247 372 2HB LEU 47 1HB LEU 47 2.220 -0.293 -7.652 373 HG LEU 47 HG LEU 47 1.711 2.088 -7.230 374 1HD1 LEU 47 1HD1 LEU 47 -0.370 2.706 -6.125 375 2HD1 LEU 47 2HD1 LEU 47 -0.963 1.054 -6.300 376 3HD1 LEU 47 3HD1 LEU 47 -0.676 2.044 -7.732 377 1HD2 LEU 47 1HD2 LEU 47 1.053 0.223 -4.958 378 2HD2 LEU 47 2HD2 LEU 47 1.548 1.910 -4.797 379 3HD2 LEU 47 3HD2 LEU 47 2.665 0.720 -5.467 380 H THR 48 H THR 48 0.090 2.276 -10.453 381 HA THR 48 HA THR 48 2.859 3.097 -11.007 382 HB THR 48 HB THR 48 1.727 3.960 -13.214 383 HG1 THR 48 1HG THR 48 -0.040 1.957 -12.229 384 1HG2 THR 48 1HG2 THR 48 3.514 2.281 -13.129 385 2HG2 THR 48 2HG2 THR 48 2.290 1.836 -14.318 386 3HG2 THR 48 3HG2 THR 48 2.329 1.032 -12.750 387 H MET 49 H MET 49 3.259 5.068 -10.210 388 HA MET 49 HA MET 49 0.930 6.764 -9.618 389 1HB MET 49 2HB MET 49 3.435 6.286 -8.008 390 2HB MET 49 1HB MET 49 2.357 7.641 -7.700 391 1HG MET 49 2HG MET 49 0.524 6.116 -7.255 392 2HG MET 49 1HG MET 49 1.558 4.740 -7.626 393 1HE MET 49 1HE MET 49 3.241 3.686 -6.044 394 2HE MET 49 2HE MET 49 3.921 4.480 -4.623 395 3HE MET 49 3HE MET 49 4.254 5.118 -6.233 396 H LYS 50 H LYS 50 1.131 8.991 -9.775 397 HA LYS 50 HA LYS 50 3.209 9.811 -11.684 398 1HB LYS 50 2HB LYS 50 0.383 10.087 -11.695 399 2HB LYS 50 1HB LYS 50 1.053 11.696 -11.485 400 1HG LYS 50 2HG LYS 50 1.710 9.784 -13.718 401 2HG LYS 50 1HG LYS 50 0.649 11.191 -13.828 402 1HD LYS 50 2HD LYS 50 2.616 12.604 -13.156 403 2HD LYS 50 1HD LYS 50 3.623 11.161 -13.322 404 1HE LYS 50 2HE LYS 50 2.744 10.957 -15.672 405 2HE LYS 50 1HE LYS 50 2.024 12.552 -15.464 406 1HZ LYS 50 1HZ LYS 50 4.155 12.696 -16.562 407 2HZ LYS 50 2HZ LYS 50 4.915 11.899 -15.274 408 3HZ LYS 50 3HZ LYS 50 4.242 13.445 -15.041 409 H LEU 51 H LEU 51 4.702 10.263 -9.966 410 HA LEU 51 HA LEU 51 4.088 12.612 -8.395 411 1HB LEU 51 2HB LEU 51 6.685 12.264 -7.852 412 2HB LEU 51 1HB LEU 51 5.400 11.467 -6.975 413 HG LEU 51 HG LEU 51 5.749 9.446 -8.387 414 1HD1 LEU 51 1HD1 LEU 51 7.810 9.246 -9.678 415 2HD1 LEU 51 2HD1 LEU 51 8.162 10.950 -9.389 416 3HD1 LEU 51 3HD1 LEU 51 6.754 10.490 -10.346 417 1HD2 LEU 51 1HD2 LEU 51 6.747 9.645 -6.186 418 2HD2 LEU 51 2HD2 LEU 51 8.144 10.471 -6.876 419 3HD2 LEU 51 3HD2 LEU 51 7.829 8.784 -7.281 420 H ASP 52 H ASP 52 3.793 14.085 -10.031 421 HA ASP 52 HA ASP 52 5.933 14.467 -11.972 422 1HB ASP 52 2HB ASP 52 3.325 14.614 -12.369 423 2HB ASP 52 1HB ASP 52 3.534 16.258 -11.774 424 H GLY 53 H GLY 53 7.210 14.873 -9.956 425 1HA GLY 53 2HA GLY 53 8.349 17.206 -9.584 426 2HA GLY 53 1HA GLY 53 6.818 17.499 -8.758 427 H ASP 54 H ASP 54 6.484 16.719 -6.792 428 HA ASP 54 HA ASP 54 8.181 14.642 -5.669 429 1HB ASP 54 2HB ASP 54 8.676 16.105 -3.660 430 2HB ASP 54 1HB ASP 54 9.531 16.536 -5.136 431 H ILE 55 H ILE 55 5.408 14.701 -6.337 432 HA ILE 55 HA ILE 55 4.157 14.499 -3.723 433 HB ILE 55 HB ILE 55 2.233 15.731 -4.326 434 1HG1 ILE 55 2HG1 ILE 55 1.887 14.965 -6.601 435 2HG1 ILE 55 1HG1 ILE 55 1.839 16.719 -6.567 436 1HG2 ILE 55 1HG2 ILE 55 4.586 17.298 -5.355 437 2HG2 ILE 55 2HG2 ILE 55 4.054 17.177 -3.678 438 3HG2 ILE 55 3HG2 ILE 55 3.032 17.978 -4.872 439 1HD1 ILE 55 1HD1 ILE 55 4.146 15.023 -7.514 440 2HD1 ILE 55 2HD1 ILE 55 4.114 16.787 -7.486 441 3HD1 ILE 55 3HD1 ILE 55 3.006 15.901 -8.533 442 H VAL 56 H VAL 56 2.572 12.895 -3.700 443 HA VAL 56 HA VAL 56 2.480 11.154 -6.019 444 HB VAL 56 HB VAL 56 0.948 10.866 -3.423 445 1HG1 VAL 56 1HG1 VAL 56 1.510 8.900 -5.648 446 2HG1 VAL 56 2HG1 VAL 56 -0.048 9.642 -5.284 447 3HG1 VAL 56 3HG1 VAL 56 0.687 8.527 -4.133 448 1HG2 VAL 56 1HG2 VAL 56 3.558 9.612 -4.281 449 2HG2 VAL 56 2HG2 VAL 56 2.658 9.202 -2.822 450 3HG2 VAL 56 3HG2 VAL 56 3.349 10.814 -3.008 451 H GLU 57 H GLU 57 1.458 12.350 -7.574 452 HA GLU 57 HA GLU 57 -0.941 13.824 -6.939 453 1HB GLU 57 2HB GLU 57 0.706 14.726 -8.523 454 2HB GLU 57 1HB GLU 57 0.429 13.360 -9.595 455 1HG GLU 57 2HG GLU 57 -1.913 14.073 -9.848 456 2HG GLU 57 1HG GLU 57 -1.569 15.481 -8.841 457 H ASP 58 H ASP 58 -0.208 11.332 -9.390 458 HA ASP 58 HA ASP 58 -3.006 10.445 -9.083 459 1HB ASP 58 2HB ASP 58 -2.595 11.602 -11.251 460 2HB ASP 58 1HB ASP 58 -1.374 10.394 -11.636 461 H ALA 59 H ALA 59 -3.321 8.146 -9.760 462 HA ALA 59 HA ALA 59 -1.013 6.433 -9.647 463 1HB ALA 59 1HB ALA 59 -1.334 6.929 -7.271 464 2HB ALA 59 2HB ALA 59 -1.665 5.234 -7.630 465 3HB ALA 59 3HB ALA 59 -3.000 6.358 -7.379 466 H LYS 60 H LYS 60 -1.384 4.640 -10.753 467 HA LYS 60 HA LYS 60 -4.184 3.965 -11.365 468 1HB LYS 60 2HB LYS 60 -1.796 4.221 -13.073 469 2HB LYS 60 1HB LYS 60 -2.721 2.750 -13.338 470 1HG LYS 60 2HG LYS 60 -3.355 4.635 -14.823 471 2HG LYS 60 1HG LYS 60 -4.688 3.989 -13.864 472 1HD LYS 60 2HD LYS 60 -4.405 5.835 -12.265 473 2HD LYS 60 1HD LYS 60 -3.108 6.491 -13.266 474 1HE LYS 60 2HE LYS 60 -4.633 6.879 -15.079 475 2HE LYS 60 1HE LYS 60 -5.927 6.039 -14.227 476 1HZ LYS 60 1HZ LYS 60 -4.628 8.518 -13.234 477 2HZ LYS 60 2HZ LYS 60 -6.008 7.757 -12.603 478 3HZ LYS 60 3HZ LYS 60 -6.071 8.493 -14.130 479 H PHE 61 H PHE 61 -4.810 1.892 -11.009 480 HA PHE 61 HA PHE 61 -2.831 0.066 -9.917 481 1HB PHE 61 2HB PHE 61 -4.346 -0.260 -7.891 482 2HB PHE 61 1HB PHE 61 -3.395 1.219 -7.938 483 HD1 PHE 61 1HD PHE 61 -4.484 3.377 -8.419 484 HD2 PHE 61 2HD PHE 61 -6.727 -0.205 -7.943 485 HE1 PHE 61 1HE PHE 61 -6.526 4.705 -8.091 486 HE2 PHE 61 2HE PHE 61 -8.774 1.118 -7.614 487 HZ PHE 61 HZ PHE 61 -8.676 3.577 -7.689 488 H GLU 62 H GLU 62 -3.261 -1.985 -10.288 489 HA GLU 62 HA GLU 62 -5.993 -2.901 -10.685 490 1HB GLU 62 2HB GLU 62 -5.141 -2.283 -12.956 491 2HB GLU 62 1HB GLU 62 -3.831 -3.436 -12.737 492 1HG GLU 62 2HG GLU 62 -5.561 -5.217 -12.458 493 2HG GLU 62 1HG GLU 62 -6.774 -4.023 -12.918 494 H GLY 63 H GLY 63 -6.202 -4.681 -9.478 495 1HA GLY 63 2HA GLY 63 -3.747 -6.237 -8.939 496 2HA GLY 63 1HA GLY 63 -4.920 -5.862 -7.684 497 H GLU 64 H GLU 64 -3.847 -8.385 -9.179 498 HA GLU 64 HA GLU 64 -6.530 -9.566 -9.422 499 1HB GLU 64 2HB GLU 64 -5.107 -9.289 -11.597 500 2HB GLU 64 1HB GLU 64 -4.186 -10.645 -10.955 501 1HG GLU 64 2HG GLU 64 -5.962 -12.112 -11.138 502 2HG GLU 64 1HG GLU 64 -7.159 -10.817 -11.177 503 H GLY 65 H GLY 65 -6.872 -11.111 -7.979 504 1HA GLY 65 2HA GLY 65 -5.253 -13.023 -6.941 505 2HA GLY 65 1HA GLY 65 -4.765 -11.573 -6.071 506 H CYS 66 H CYS 66 -5.650 -11.549 -4.132 507 HA CYS 66 HA CYS 66 -8.140 -12.991 -3.694 508 1HB CYS 66 2HB CYS 66 -6.242 -11.733 -1.711 509 2HB CYS 66 1HB CYS 66 -7.587 -12.801 -1.331 510 HG CYS 66 HG CYS 66 -5.689 -14.365 -3.478 511 H SER 67 H SER 67 -9.675 -12.004 -2.118 512 HA SER 67 HA SER 67 -10.738 -9.635 -3.138 513 1HB SER 67 2HB SER 67 -11.276 -10.672 -0.356 514 2HB SER 67 1HB SER 67 -12.390 -9.855 -1.454 515 HG SER 67 HG SER 67 -12.823 -11.701 -2.383 516 H ILE 68 H ILE 68 -8.692 -10.252 -0.323 517 HA ILE 68 HA ILE 68 -8.938 -7.581 0.665 518 HB ILE 68 HB ILE 68 -7.072 -8.239 2.230 519 1HG1 ILE 68 2HG1 ILE 68 -6.919 -10.869 2.343 520 2HG1 ILE 68 1HG1 ILE 68 -7.285 -10.763 0.627 521 1HG2 ILE 68 1HG2 ILE 68 -9.545 -9.953 2.121 522 2HG2 ILE 68 2HG2 ILE 68 -9.391 -8.367 2.875 523 3HG2 ILE 68 3HG2 ILE 68 -8.514 -9.746 3.537 524 1HD1 ILE 68 1HD1 ILE 68 -5.310 -9.400 0.273 525 2HD1 ILE 68 2HD1 ILE 68 -4.892 -10.930 1.046 526 3HD1 ILE 68 3HD1 ILE 68 -4.955 -9.447 2.000 527 H SER 69 H SER 69 -6.625 -9.227 -1.397 528 HA SER 69 HA SER 69 -4.585 -7.271 -1.070 529 1HB SER 69 2HB SER 69 -3.630 -8.433 -3.151 530 2HB SER 69 1HB SER 69 -3.834 -9.414 -1.699 531 HG SER 69 HG SER 69 -5.509 -9.322 -3.983 532 H MET 70 H MET 70 -7.130 -7.820 -3.449 533 HA MET 70 HA MET 70 -6.319 -5.592 -5.080 534 1HB MET 70 2HB MET 70 -8.325 -5.982 -6.362 535 2HB MET 70 1HB MET 70 -7.565 -7.528 -6.011 536 1HG MET 70 2HG MET 70 -9.172 -7.977 -4.280 537 2HG MET 70 1HG MET 70 -9.890 -6.379 -4.486 538 1HE MET 70 1HE MET 70 -11.535 -9.121 -4.504 539 2HE MET 70 2HE MET 70 -12.647 -8.830 -5.842 540 3HE MET 70 3HE MET 70 -12.289 -7.537 -4.699 541 H ALA 71 H ALA 71 -8.111 -5.955 -2.202 542 HA ALA 71 HA ALA 71 -9.632 -3.515 -2.539 543 1HB ALA 71 1HB ALA 71 -10.502 -3.963 -0.317 544 2HB ALA 71 2HB ALA 71 -9.341 -5.273 -0.107 545 3HB ALA 71 3HB ALA 71 -10.610 -5.409 -1.324 546 H SER 72 H SER 72 -7.082 -4.677 -0.334 547 HA SER 72 HA SER 72 -6.787 -2.270 1.064 548 1HB SER 72 2HB SER 72 -4.779 -4.495 0.633 549 2HB SER 72 1HB SER 72 -4.638 -3.219 1.845 550 HG SER 72 HG SER 72 -6.024 -4.232 3.056 551 H ALA 73 H ALA 73 -4.890 -3.584 -1.643 552 HA ALA 73 HA ALA 73 -2.974 -1.653 -1.904 553 1HB ALA 73 1HB ALA 73 -4.401 -3.020 -4.175 554 2HB ALA 73 2HB ALA 73 -3.076 -3.709 -3.237 555 3HB ALA 73 3HB ALA 73 -2.801 -2.279 -4.234 556 H SER 74 H SER 74 -6.296 -1.531 -3.188 557 HA SER 74 HA SER 74 -5.896 0.921 -4.567 558 1HB SER 74 2HB SER 74 -8.491 -0.336 -3.663 559 2HB SER 74 1HB SER 74 -8.289 0.872 -4.932 560 HG SER 74 HG SER 74 -6.882 -0.745 -5.955 561 H MET 75 H MET 75 -6.870 0.099 -1.308 562 HA MET 75 HA MET 75 -7.832 2.746 -0.682 563 1HB MET 75 2HB MET 75 -7.078 0.463 1.157 564 2HB MET 75 1HB MET 75 -7.898 1.939 1.650 565 1HG MET 75 2HG MET 75 -8.963 -0.164 -0.221 566 2HG MET 75 1HG MET 75 -9.471 0.117 1.442 567 1HE MET 75 1HE MET 75 -10.823 2.240 2.244 568 2HE MET 75 2HE MET 75 -11.230 3.597 1.194 569 3HE MET 75 3HE MET 75 -9.547 3.280 1.610 570 H MET 76 H MET 76 -4.964 0.824 -0.082 571 HA MET 76 HA MET 76 -3.373 2.677 1.245 572 1HB MET 76 2HB MET 76 -2.577 0.568 -0.781 573 2HB MET 76 1HB MET 76 -1.466 1.380 0.311 574 1HG MET 76 2HG MET 76 -2.316 0.300 2.186 575 2HG MET 76 1HG MET 76 -3.811 -0.146 1.368 576 1HE MET 76 1HE MET 76 0.270 -2.149 0.554 577 2HE MET 76 2HE MET 76 0.013 -0.942 1.815 578 3HE MET 76 3HE MET 76 -0.092 -0.480 0.117 579 H THR 77 H THR 77 -4.047 2.226 -2.176 580 HA THR 77 HA THR 77 -2.286 4.170 -3.205 581 HB THR 77 HB THR 77 -4.921 3.158 -4.297 582 HG1 THR 77 1HG THR 77 -3.266 1.557 -4.053 583 1HG2 THR 77 1HG2 THR 77 -4.328 5.288 -5.327 584 2HG2 THR 77 2HG2 THR 77 -4.133 3.962 -6.473 585 3HG2 THR 77 3HG2 THR 77 -2.718 4.673 -5.697 586 H GLN 78 H GLN 78 -5.473 4.407 -1.778 587 HA GLN 78 HA GLN 78 -5.957 7.092 -2.699 588 1HB GLN 78 2HB GLN 78 -7.865 5.633 -2.290 589 2HB GLN 78 1HB GLN 78 -7.361 5.395 -0.623 590 1HG GLN 78 2HG GLN 78 -9.205 6.949 -0.737 591 2HG GLN 78 1HG GLN 78 -7.750 7.756 -0.159 592 1HE2 GLN 78 1HE2 GLN 78 -8.409 9.788 -0.745 593 2HE2 GLN 78 2HE2 GLN 78 -8.550 10.301 -2.394 594 H ALA 79 H ALA 79 -4.977 5.479 0.266 595 HA ALA 79 HA ALA 79 -4.625 7.776 1.850 596 1HB ALA 79 1HB ALA 79 -3.221 6.362 3.249 597 2HB ALA 79 2HB ALA 79 -3.116 5.163 1.960 598 3HB ALA 79 3HB ALA 79 -4.663 5.482 2.743 599 H ILE 80 H ILE 80 -2.602 6.133 -0.501 600 HA ILE 80 HA ILE 80 -0.255 7.671 0.119 601 HB ILE 80 HB ILE 80 -0.772 5.303 -1.248 602 1HG1 ILE 80 2HG1 ILE 80 1.154 5.740 0.168 603 2HG1 ILE 80 1HG1 ILE 80 1.672 5.133 -1.400 604 1HG2 ILE 80 1HG2 ILE 80 -1.154 6.456 -3.329 605 2HG2 ILE 80 2HG2 ILE 80 0.365 5.563 -3.404 606 3HG2 ILE 80 3HG2 ILE 80 0.381 7.310 -3.168 607 1HD1 ILE 80 1HD1 ILE 80 1.760 7.991 -0.465 608 2HD1 ILE 80 2HD1 ILE 80 2.209 7.438 -2.078 609 3HD1 ILE 80 3HD1 ILE 80 3.131 6.900 -0.673 610 H LYS 81 H LYS 81 -2.928 7.990 -2.084 611 HA LYS 81 HA LYS 81 -1.799 9.814 -3.911 612 1HB LYS 81 2HB LYS 81 -3.900 8.581 -4.317 613 2HB LYS 81 1HB LYS 81 -4.688 9.519 -3.056 614 1HG LYS 81 2HG LYS 81 -4.293 11.568 -4.376 615 2HG LYS 81 1HG LYS 81 -3.595 10.577 -5.657 616 1HD LYS 81 2HD LYS 81 -5.673 9.455 -6.019 617 2HD LYS 81 1HD LYS 81 -6.387 10.206 -4.592 618 1HE LYS 81 2HE LYS 81 -7.216 11.343 -6.522 619 2HE LYS 81 1HE LYS 81 -6.099 12.421 -5.689 620 1HZ LYS 81 1HZ LYS 81 -5.705 12.514 -8.032 621 2HZ LYS 81 2HZ LYS 81 -5.542 10.832 -8.136 622 3HZ LYS 81 3HZ LYS 81 -4.379 11.748 -7.306 623 H GLY 82 H GLY 82 -2.794 10.183 -0.651 624 1HA GLY 82 2HA GLY 82 -2.892 13.111 -0.943 625 2HA GLY 82 1HA GLY 82 -3.487 12.203 0.440 626 H LYS 83 H LYS 83 -0.372 11.653 -1.118 627 HA LYS 83 HA LYS 83 0.958 12.810 1.214 628 1HB LYS 83 2HB LYS 83 1.357 9.982 0.201 629 2HB LYS 83 1HB LYS 83 2.428 10.776 1.350 630 1HG LYS 83 2HG LYS 83 0.658 10.946 2.967 631 2HG LYS 83 1HG LYS 83 -0.515 10.335 1.807 632 1HD LYS 83 2HD LYS 83 0.654 8.173 1.769 633 2HD LYS 83 1HD LYS 83 1.819 8.790 2.945 634 1HE LYS 83 2HE LYS 83 0.055 9.098 4.579 635 2HE LYS 83 1HE LYS 83 -1.159 8.604 3.405 636 1HZ LYS 83 1HZ LYS 83 -0.212 6.383 3.391 637 2HZ LYS 83 2HZ LYS 83 -0.612 6.832 4.979 638 3HZ LYS 83 3HZ LYS 83 1.003 6.859 4.469 639 H ASP 84 H ASP 84 3.388 12.901 0.799 640 HA ASP 84 HA ASP 84 3.881 13.427 -2.032 641 1HB ASP 84 2HB ASP 84 5.224 14.752 0.345 642 2HB ASP 84 1HB ASP 84 5.426 15.175 -1.352 643 H ILE 85 H ILE 85 6.624 13.747 -1.672 644 HA ILE 85 HA ILE 85 7.384 10.964 -1.350 645 HB ILE 85 HB ILE 85 8.747 13.355 -2.538 646 1HG1 ILE 85 2HG1 ILE 85 9.009 11.870 -4.452 647 2HG1 ILE 85 1HG1 ILE 85 8.397 10.512 -3.518 648 1HG2 ILE 85 1HG2 ILE 85 10.445 12.402 -1.079 649 2HG2 ILE 85 2HG2 ILE 85 10.834 12.096 -2.771 650 3HG2 ILE 85 3HG2 ILE 85 10.164 10.804 -1.772 651 1HD1 ILE 85 1HD1 ILE 85 6.832 12.959 -4.300 652 2HD1 ILE 85 2HD1 ILE 85 6.217 11.589 -3.377 653 3HD1 ILE 85 3HD1 ILE 85 6.721 11.368 -5.053 654 H GLU 86 H GLU 86 8.222 14.115 0.009 655 HA GLU 86 HA GLU 86 10.066 13.204 1.906 656 1HB GLU 86 2HB GLU 86 8.291 15.635 1.828 657 2HB GLU 86 1HB GLU 86 9.439 15.352 3.126 658 1HG GLU 86 2HG GLU 86 10.348 16.861 1.463 659 2HG GLU 86 1HG GLU 86 11.275 15.365 1.530 660 H THR 87 H THR 87 6.548 13.476 2.024 661 HA THR 87 HA THR 87 6.480 12.812 4.829 662 HB THR 87 HB THR 87 3.978 12.747 4.463 663 HG1 THR 87 1HG THR 87 3.355 13.811 2.431 664 1HG2 THR 87 1HG2 THR 87 5.425 15.267 3.637 665 2HG2 THR 87 2HG2 THR 87 5.154 14.736 5.297 666 3HG2 THR 87 3HG2 THR 87 3.784 15.171 4.277 667 H ALA 88 H ALA 88 6.330 11.080 1.828 668 HA ALA 88 HA ALA 88 5.077 8.743 2.958 669 1HB ALA 88 1HB ALA 88 5.588 7.665 0.833 670 2HB ALA 88 2HB ALA 88 6.587 9.041 0.363 671 3HB ALA 88 3HB ALA 88 4.847 9.244 0.573 672 H LEU 89 H LEU 89 8.367 9.706 2.088 673 HA LEU 89 HA LEU 89 9.600 7.257 2.729 674 1HB LEU 89 2HB LEU 89 10.534 10.059 2.328 675 2HB LEU 89 1HB LEU 89 11.636 8.914 3.069 676 HG LEU 89 HG LEU 89 11.539 7.482 1.108 677 1HD1 LEU 89 1HD1 LEU 89 9.238 7.868 0.432 678 2HD1 LEU 89 2HD1 LEU 89 10.341 8.164 -0.910 679 3HD1 LEU 89 3HD1 LEU 89 9.636 9.522 -0.032 680 1HD2 LEU 89 1HD2 LEU 89 12.598 8.975 -0.516 681 2HD2 LEU 89 2HD2 LEU 89 13.187 9.262 1.121 682 3HD2 LEU 89 3HD2 LEU 89 12.021 10.370 0.397 683 H SER 90 H SER 90 8.911 10.141 4.626 684 HA SER 90 HA SER 90 10.230 9.205 6.976 685 1HB SER 90 2HB SER 90 8.838 11.054 8.078 686 2HB SER 90 1HB SER 90 9.976 11.554 6.829 687 HG SER 90 HG SER 90 8.358 12.018 5.503 688 H MET 91 H MET 91 6.942 9.064 5.724 689 HA MET 91 HA MET 91 5.670 7.926 7.949 690 1HB MET 91 2HB MET 91 4.414 8.772 6.032 691 2HB MET 91 1HB MET 91 5.120 7.542 4.994 692 1HG MET 91 2HG MET 91 2.867 6.934 5.567 693 2HG MET 91 1HG MET 91 3.993 5.803 6.316 694 1HE MET 91 1HE MET 91 1.519 8.805 6.897 695 2HE MET 91 2HE MET 91 3.068 9.471 7.415 696 3HE MET 91 3HE MET 91 1.799 9.166 8.602 697 H SER 92 H SER 92 7.722 6.553 5.501 698 HA SER 92 HA SER 92 7.160 3.832 6.247 699 1HB SER 92 2HB SER 92 7.627 4.456 3.884 700 2HB SER 92 1HB SER 92 9.256 4.941 4.356 701 HG SER 92 HG SER 92 8.123 2.390 4.128 702 H LYS 93 H LYS 93 9.589 6.315 6.767 703 HA LYS 93 HA LYS 93 11.495 4.703 8.068 704 1HB LYS 93 2HB LYS 93 12.024 6.985 7.381 705 2HB LYS 93 1HB LYS 93 10.832 7.622 8.507 706 1HG LYS 93 2HG LYS 93 12.118 6.831 10.386 707 2HG LYS 93 1HG LYS 93 13.277 6.056 9.304 708 1HD LYS 93 2HD LYS 93 13.901 8.226 8.400 709 2HD LYS 93 1HD LYS 93 12.713 9.014 9.442 710 1HE LYS 93 2HE LYS 93 13.903 8.267 11.414 711 2HE LYS 93 1HE LYS 93 15.053 7.382 10.411 712 1HZ LYS 93 1HZ LYS 93 15.879 9.552 11.194 713 2HZ LYS 93 2HZ LYS 93 14.658 10.323 10.299 714 3HZ LYS 93 3HZ LYS 93 15.856 9.419 9.503 715 H ILE 94 H ILE 94 8.745 6.587 9.329 716 HA ILE 94 HA ILE 94 9.075 5.549 11.980 717 HB ILE 94 HB ILE 94 6.899 6.558 12.497 718 1HG1 ILE 94 2HG1 ILE 94 6.835 7.340 9.574 719 2HG1 ILE 94 1HG1 ILE 94 5.799 6.131 10.322 720 1HG2 ILE 94 1HG2 ILE 94 8.763 8.334 10.932 721 2HG2 ILE 94 2HG2 ILE 94 8.882 7.926 12.643 722 3HG2 ILE 94 3HG2 ILE 94 7.531 8.898 12.061 723 1HD1 ILE 94 1HD1 ILE 94 4.628 8.238 10.022 724 2HD1 ILE 94 2HD1 ILE 94 5.846 9.069 10.990 725 3HD1 ILE 94 3HD1 ILE 94 4.805 7.854 11.733 726 H PHE 95 H PHE 95 7.391 4.522 9.095 727 HA PHE 95 HA PHE 95 5.726 2.569 10.294 728 1HB PHE 95 2HB PHE 95 5.478 3.185 7.946 729 2HB PHE 95 1HB PHE 95 7.081 2.557 7.585 730 HD1 PHE 95 1HD PHE 95 3.660 1.607 8.596 731 HD2 PHE 95 2HD PHE 95 7.427 0.272 7.141 732 HE1 PHE 95 1HE PHE 95 2.681 -0.595 8.091 733 HE2 PHE 95 2HE PHE 95 6.456 -1.929 6.633 734 HZ PHE 95 HZ PHE 95 4.081 -2.364 7.108 735 H SER 96 H SER 96 9.076 2.482 9.198 736 HA SER 96 HA SER 96 9.452 -0.254 9.988 737 1HB SER 96 2HB SER 96 10.694 0.783 8.098 738 2HB SER 96 1HB SER 96 11.512 1.838 9.247 739 HG SER 96 HG SER 96 11.965 -0.438 10.252 740 H ASP 97 H ASP 97 9.927 2.898 11.409 741 HA ASP 97 HA ASP 97 11.756 2.166 13.423 742 1HB ASP 97 2HB ASP 97 11.353 4.514 12.787 743 2HB ASP 97 1HB ASP 97 9.732 4.411 13.467 744 H MET 98 H MET 98 8.210 2.324 13.398 745 HA MET 98 HA MET 98 7.735 2.005 16.104 746 1HB MET 98 2HB MET 98 5.517 1.278 15.550 747 2HB MET 98 1HB MET 98 5.996 2.520 14.404 748 1HG MET 98 2HG MET 98 6.392 0.883 12.706 749 2HG MET 98 1HG MET 98 6.126 -0.432 13.851 750 1HE MET 98 1HE MET 98 4.387 -1.537 12.159 751 2HE MET 98 2HE MET 98 4.647 -0.219 11.016 752 3HE MET 98 3HE MET 98 3.007 -0.677 11.477 753 H MET 99 H MET 99 9.006 -0.318 13.934 754 HA MET 99 HA MET 99 8.197 -2.715 15.146 755 1HB MET 99 2HB MET 99 9.276 -2.727 12.982 756 2HB MET 99 1HB MET 99 10.733 -2.014 13.655 757 1HG MET 99 2HG MET 99 11.137 -4.041 14.955 758 2HG MET 99 1HG MET 99 9.665 -4.757 14.304 759 1HE MET 99 1HE MET 99 12.574 -6.786 12.592 760 2HE MET 99 2HE MET 99 11.145 -6.885 13.620 761 3HE MET 99 3HE MET 99 12.605 -6.095 14.214 762 H GLN 100 H GLN 100 10.756 -0.433 15.961 763 HA GLN 100 HA GLN 100 11.163 -1.877 18.478 764 1HB GLN 100 2HB GLN 100 12.929 -2.663 16.966 765 2HB GLN 100 1HB GLN 100 13.423 -1.002 16.672 766 1HG GLN 100 2HG GLN 100 13.862 -0.810 19.137 767 2HG GLN 100 1HG GLN 100 13.615 -2.551 19.238 768 1HE2 GLN 100 1HE2 GLN 100 14.849 -3.060 16.646 769 2HE2 GLN 100 2HE2 GLN 100 16.550 -2.847 16.877 770 H GLY 101 H GLY 101 11.710 1.047 16.574 771 1HA GLY 101 2HA GLY 101 12.769 2.611 18.693 772 2HA GLY 101 1HA GLY 101 12.114 3.222 17.180 773 H LYS 102 H LYS 102 9.499 1.997 17.557 774 HA LYS 102 HA LYS 102 7.564 2.034 18.758 775 1HB LYS 102 2HB LYS 102 9.174 1.893 20.787 776 2HB LYS 102 1HB LYS 102 8.889 3.618 20.945 777 1HG LYS 102 2HG LYS 102 6.511 3.214 21.243 778 2HG LYS 102 1HG LYS 102 6.770 1.479 21.029 779 1HD LYS 102 2HD LYS 102 8.312 1.538 22.990 780 2HD LYS 102 1HD LYS 102 7.856 3.224 23.241 781 1HE LYS 102 2HE LYS 102 6.586 1.763 24.713 782 2HE LYS 102 1HE LYS 102 5.523 2.541 23.540 783 1HZ LYS 102 1HZ LYS 102 5.093 0.134 23.892 784 2HZ LYS 102 2HZ LYS 102 6.606 -0.205 23.201 785 3HZ LYS 102 3HZ LYS 102 5.401 0.548 22.281 786 H GLU 103 H GLU 103 9.123 4.337 17.259 787 HA GLU 103 HA GLU 103 7.164 6.440 17.821 788 1HB GLU 103 2HB GLU 103 9.631 6.503 16.073 789 2HB GLU 103 1HB GLU 103 8.564 7.867 16.386 790 1HG GLU 103 2HG GLU 103 9.120 7.660 18.800 791 2HG GLU 103 1HG GLU 103 10.303 6.426 18.371 792 H TYR 104 H TYR 104 5.341 5.899 16.846 793 HA TYR 104 HA TYR 104 5.379 4.865 14.131 794 1HB TYR 104 2HB TYR 104 2.902 4.521 14.623 795 2HB TYR 104 1HB TYR 104 4.021 3.576 15.584 796 HD1 TYR 104 1HD TYR 104 4.332 4.031 17.967 797 HD2 TYR 104 2HD TYR 104 1.578 6.269 15.621 798 HE1 TYR 104 1HE TYR 104 3.279 4.888 20.020 799 HE2 TYR 104 2HE TYR 104 0.522 7.136 17.667 800 HH TYR 104 HH TYR 104 0.284 6.477 20.035 801 H ASP 105 H ASP 105 2.535 6.033 13.871 802 HA ASP 105 HA ASP 105 3.518 8.546 12.825 803 1HB ASP 105 2HB ASP 105 2.659 7.104 11.086 804 2HB ASP 105 1HB ASP 105 1.176 6.823 11.996 805 H ASP 106 H ASP 106 3.151 10.043 14.210 806 HA ASP 106 HA ASP 106 1.091 10.164 16.113 807 1HB ASP 106 2HB ASP 106 1.699 12.539 16.361 808 2HB ASP 106 1HB ASP 106 3.119 11.499 16.339 809 H SER 107 H SER 107 0.994 10.613 12.751 810 HA SER 107 HA SER 107 -1.418 12.200 12.779 811 1HB SER 107 2HB SER 107 -0.515 10.584 10.414 812 2HB SER 107 1HB SER 107 -1.322 12.152 10.449 813 HG SER 107 HG SER 107 1.383 11.502 10.782 814 H ILE 108 H ILE 108 -0.510 8.864 13.112 815 HA ILE 108 HA ILE 108 -1.773 7.067 13.692 816 HB ILE 108 HB ILE 108 -4.211 8.859 13.753 817 1HG1 ILE 108 2HG1 ILE 108 -2.386 9.886 15.076 818 2HG1 ILE 108 1HG1 ILE 108 -3.708 9.332 16.096 819 1HG2 ILE 108 1HG2 ILE 108 -3.517 6.364 15.308 820 2HG2 ILE 108 2HG2 ILE 108 -4.642 6.453 13.951 821 3HG2 ILE 108 3HG2 ILE 108 -5.007 7.297 15.456 822 1HD1 ILE 108 1HD1 ILE 108 -2.426 7.358 16.707 823 2HD1 ILE 108 2HD1 ILE 108 -1.538 8.836 17.081 824 3HD1 ILE 108 3HD1 ILE 108 -1.106 7.882 15.661 825 H ASP 109 H ASP 109 -1.368 7.891 10.904 826 HA ASP 109 HA ASP 109 -3.738 6.973 9.509 827 1HB ASP 109 2HB ASP 109 -2.131 8.622 8.504 828 2HB ASP 109 1HB ASP 109 -0.930 7.337 8.422 829 H LEU 110 H LEU 110 -3.734 5.059 10.979 830 HA LEU 110 HA LEU 110 -1.955 2.935 9.984 831 1HB LEU 110 2HB LEU 110 -3.042 3.288 12.777 832 2HB LEU 110 1HB LEU 110 -2.054 1.947 12.234 833 HG LEU 110 HG LEU 110 -1.145 4.826 12.323 834 1HD1 LEU 110 1HD1 LEU 110 -0.508 2.524 14.166 835 2HD1 LEU 110 2HD1 LEU 110 -1.506 3.923 14.562 836 3HD1 LEU 110 3HD1 LEU 110 0.214 4.132 14.230 837 1HD2 LEU 110 1HD2 LEU 110 0.390 2.279 11.809 838 2HD2 LEU 110 2HD2 LEU 110 1.072 3.903 11.909 839 3HD2 LEU 110 3HD2 LEU 110 -0.033 3.490 10.598 840 H GLY 111 H GLY 111 -5.019 3.966 9.826 841 1HA GLY 111 2HA GLY 111 -6.459 1.567 10.493 842 2HA GLY 111 1HA GLY 111 -7.091 2.950 9.607 843 H ASP 112 H ASP 112 -5.198 3.038 7.569 844 HA ASP 112 HA ASP 112 -6.133 1.067 5.752 845 1HB ASP 112 2HB ASP 112 -5.489 3.251 4.963 846 2HB ASP 112 1HB ASP 112 -3.872 3.075 5.632 847 H ILE 113 H ILE 113 -3.242 1.433 7.680 848 HA ILE 113 HA ILE 113 -1.861 -0.791 6.495 849 HB ILE 113 HB ILE 113 -1.181 0.742 9.017 850 1HG1 ILE 113 2HG1 ILE 113 -0.187 1.166 6.190 851 2HG1 ILE 113 1HG1 ILE 113 -1.354 2.194 7.015 852 1HG2 ILE 113 1HG2 ILE 113 0.524 -0.996 7.236 853 2HG2 ILE 113 2HG2 ILE 113 -0.059 -1.422 8.845 854 3HG2 ILE 113 3HG2 ILE 113 1.086 -0.096 8.645 855 1HD1 ILE 113 1HD1 ILE 113 0.343 2.763 8.684 856 2HD1 ILE 113 2HD1 ILE 113 0.848 3.192 7.049 857 3HD1 ILE 113 3HD1 ILE 113 1.509 1.754 7.828 858 H GLU 114 H GLU 114 -4.123 -0.313 9.034 859 HA GLU 114 HA GLU 114 -3.437 -2.421 10.764 860 1HB GLU 114 2HB GLU 114 -5.091 -0.566 11.216 861 2HB GLU 114 1HB GLU 114 -6.234 -1.427 10.197 862 1HG GLU 114 2HG GLU 114 -6.278 -3.283 11.698 863 2HG GLU 114 1HG GLU 114 -4.964 -2.600 12.656 864 H ALA 115 H ALA 115 -5.158 -2.327 7.737 865 HA ALA 115 HA ALA 115 -6.172 -4.994 7.852 866 1HB ALA 115 1HB ALA 115 -6.619 -4.700 5.463 867 2HB ALA 115 2HB ALA 115 -5.671 -3.211 5.469 868 3HB ALA 115 3HB ALA 115 -7.168 -3.309 6.398 869 H LEU 116 H LEU 116 -3.103 -3.610 7.189 870 HA LEU 116 HA LEU 116 -2.152 -5.944 5.692 871 1HB LEU 116 2HB LEU 116 -0.737 -3.424 6.566 872 2HB LEU 116 1HB LEU 116 -0.000 -4.702 5.621 873 HG LEU 116 HG LEU 116 -2.317 -2.983 4.731 874 1HD1 LEU 116 1HD1 LEU 116 -0.692 -2.024 3.168 875 2HD1 LEU 116 2HD1 LEU 116 0.585 -2.992 3.907 876 3HD1 LEU 116 3HD1 LEU 116 -0.226 -1.738 4.846 877 1HD2 LEU 116 1HD2 LEU 116 -0.723 -5.059 3.228 878 2HD2 LEU 116 2HD2 LEU 116 -1.999 -4.041 2.560 879 3HD2 LEU 116 3HD2 LEU 116 -2.385 -5.247 3.787 880 H GLN 117 H GLN 117 -1.764 -4.306 8.736 881 HA GLN 117 HA GLN 117 0.238 -5.853 9.899 882 1HB GLN 117 2HB GLN 117 -0.202 -3.897 11.022 883 2HB GLN 117 1HB GLN 117 -1.936 -4.050 10.836 884 1HG GLN 117 2HG GLN 117 -0.499 -5.905 12.672 885 2HG GLN 117 1HG GLN 117 -0.814 -4.247 13.177 886 1HE2 GLN 117 1HE2 GLN 117 -3.043 -3.518 13.072 887 2HE2 GLN 117 2HE2 GLN 117 -4.318 -4.647 13.376 888 H GLY 118 H GLY 118 -3.166 -6.488 9.441 889 1HA GLY 118 2HA GLY 118 -3.390 -8.591 11.335 890 2HA GLY 118 1HA GLY 118 -4.480 -8.294 9.990 891 H VAL 119 H VAL 119 -2.922 -8.654 7.805 892 HA VAL 119 HA VAL 119 -2.937 -11.510 7.711 893 HB VAL 119 HB VAL 119 -3.724 -10.101 5.841 894 1HG1 VAL 119 1HG1 VAL 119 -0.808 -9.466 5.432 895 2HG1 VAL 119 2HG1 VAL 119 -2.060 -8.336 5.947 896 3HG1 VAL 119 3HG1 VAL 119 -2.123 -9.044 4.333 897 1HG2 VAL 119 1HG2 VAL 119 -3.140 -12.414 5.414 898 2HG2 VAL 119 2HG2 VAL 119 -1.456 -11.963 5.144 899 3HG2 VAL 119 3HG2 VAL 119 -2.706 -11.413 4.027 900 H SER 120 H SER 120 -0.518 -9.199 8.340 901 HA SER 120 HA SER 120 1.777 -10.260 7.213 902 1HB SER 120 2HB SER 120 3.012 -8.958 8.858 903 2HB SER 120 1HB SER 120 1.635 -8.038 8.256 904 HG SER 120 HG SER 120 0.598 -8.309 10.159 905 H LYS 121 H LYS 121 -0.084 -11.772 9.575 906 HA LYS 121 HA LYS 121 2.251 -13.097 10.793 907 1HB LYS 121 2HB LYS 121 0.950 -11.482 12.244 908 2HB LYS 121 1HB LYS 121 -0.418 -12.572 12.110 909 1HG LYS 121 2HG LYS 121 0.781 -14.304 13.264 910 2HG LYS 121 1HG LYS 121 2.253 -13.330 13.272 911 1HD LYS 121 2HD LYS 121 1.106 -13.250 15.438 912 2HD LYS 121 1HD LYS 121 1.166 -11.663 14.673 913 1HE LYS 121 2HE LYS 121 -1.154 -12.068 13.834 914 2HE LYS 121 1HE LYS 121 -1.193 -13.542 14.801 915 1HZ LYS 121 1HZ LYS 121 -0.795 -12.167 16.786 916 2HZ LYS 121 2HZ LYS 121 -2.234 -11.740 15.995 917 3HZ LYS 121 3HZ LYS 121 -0.856 -10.770 15.824 918 H PHE 122 H PHE 122 0.924 -14.008 8.427 919 HA PHE 122 HA PHE 122 -0.319 -16.496 9.428 920 1HB PHE 122 2HB PHE 122 -1.298 -14.663 7.237 921 2HB PHE 122 1HB PHE 122 -1.791 -16.349 7.329 922 HD1 PHE 122 1HD PHE 122 -2.176 -13.028 8.712 923 HD2 PHE 122 2HD PHE 122 -3.176 -17.131 9.189 924 HE1 PHE 122 1HE PHE 122 -3.984 -12.400 10.248 925 HE2 PHE 122 2HE PHE 122 -4.989 -16.517 10.729 926 HZ PHE 122 HZ PHE 122 -5.399 -14.145 11.265 927 HA PRO 123 HA PRO 123 2.104 -18.312 5.992 928 1HB PRO 123 2HB PRO 123 0.389 -20.072 4.840 929 2HB PRO 123 1HB PRO 123 1.180 -20.400 6.386 930 1HG PRO 123 2HG PRO 123 -1.592 -19.397 5.854 931 2HG PRO 123 1HG PRO 123 -1.051 -20.631 7.007 932 1HD PRO 123 2HD PRO 123 -1.601 -18.083 7.751 933 2HD PRO 123 1HD PRO 123 -0.357 -19.065 8.551 934 H ALA 124 H ALA 124 -0.549 -16.373 5.749 935 HA ALA 124 HA ALA 124 -0.751 -16.414 2.838 936 1HB ALA 124 1HB ALA 124 -2.785 -15.136 3.141 937 2HB ALA 124 2HB ALA 124 -2.458 -14.985 4.867 938 3HB ALA 124 3HB ALA 124 -2.802 -16.567 4.171 939 H ARG 125 H ARG 125 0.651 -14.494 5.360 940 HA ARG 125 HA ARG 125 0.492 -11.953 4.259 941 1HB ARG 125 2HB ARG 125 2.909 -11.726 5.364 942 2HB ARG 125 1HB ARG 125 1.421 -11.700 6.294 943 1HG ARG 125 2HG ARG 125 2.454 -13.222 7.537 944 2HG ARG 125 1HG ARG 125 1.936 -14.336 6.280 945 1HD ARG 125 2HD ARG 125 4.107 -14.149 5.193 946 2HD ARG 125 1HD ARG 125 4.630 -12.984 6.415 947 HE ARG 125 HE ARG 125 3.809 -15.158 7.850 948 1HH1 ARG 125 1HH1 ARG 125 6.250 -14.650 5.368 949 2HH1 ARG 125 2HH1 ARG 125 7.211 -15.999 5.898 950 1HH2 ARG 125 1HH2 ARG 125 5.067 -16.882 8.530 951 2HH2 ARG 125 2HH2 ARG 125 6.544 -17.267 7.695 952 H ILE 126 H ILE 126 3.174 -14.266 3.850 953 HA ILE 126 HA ILE 126 4.796 -12.698 2.287 954 HB ILE 126 HB ILE 126 5.602 -14.819 3.071 955 1HG1 ILE 126 2HG1 ILE 126 5.449 -14.845 0.047 956 2HG1 ILE 126 1HG1 ILE 126 6.613 -13.938 1.006 957 1HG2 ILE 126 1HG2 ILE 126 3.591 -16.127 1.244 958 2HG2 ILE 126 2HG2 ILE 126 3.507 -16.064 3.004 959 3HG2 ILE 126 3HG2 ILE 126 4.807 -16.959 2.216 960 1HD1 ILE 126 1HD1 ILE 126 7.519 -16.041 1.865 961 2HD1 ILE 126 2HD1 ILE 126 7.619 -15.935 0.108 962 3HD1 ILE 126 3HD1 ILE 126 6.374 -16.931 0.862 963 H LYS 127 H LYS 127 1.880 -14.360 1.421 964 HA LYS 127 HA LYS 127 2.336 -14.081 -1.421 965 1HB LYS 127 2HB LYS 127 -0.011 -15.084 0.186 966 2HB LYS 127 1HB LYS 127 0.041 -15.073 -1.574 967 1HG LYS 127 2HG LYS 127 1.825 -16.627 -1.625 968 2HG LYS 127 1HG LYS 127 2.108 -16.461 0.107 969 1HD LYS 127 2HD LYS 127 0.077 -17.588 0.628 970 2HD LYS 127 1HD LYS 127 -0.452 -17.535 -1.054 971 1HE LYS 127 2HE LYS 127 0.372 -19.757 -0.407 972 2HE LYS 127 1HE LYS 127 1.328 -19.036 -1.700 973 1HZ LYS 127 1HZ LYS 127 2.085 -19.070 1.173 974 2HZ LYS 127 2HZ LYS 127 3.017 -18.443 -0.100 975 3HZ LYS 127 3HZ LYS 127 2.704 -20.105 -0.014 976 H CYS 128 H CYS 128 -0.046 -12.761 0.892 977 HA CYS 128 HA CYS 128 -1.081 -11.061 -1.231 978 1HB CYS 128 2HB CYS 128 -2.049 -11.540 1.594 979 2HB CYS 128 1HB CYS 128 -2.860 -10.504 0.421 980 HG CYS 128 HG CYS 128 -2.785 -12.980 -1.365 981 H ALA 129 H ALA 129 1.003 -10.855 1.479 982 HA ALA 129 HA ALA 129 0.787 -7.977 1.696 983 1HB ALA 129 1HB ALA 129 1.163 -9.286 3.718 984 2HB ALA 129 2HB ALA 129 2.477 -8.145 3.434 985 3HB ALA 129 3HB ALA 129 2.701 -9.856 3.067 986 H THR 130 H THR 130 3.046 -10.358 0.241 987 HA THR 130 HA THR 130 4.976 -8.413 -0.458 988 HB THR 130 HB THR 130 5.250 -10.959 -0.724 989 HG1 THR 130 1HG THR 130 6.128 -8.932 -2.449 990 1HG2 THR 130 1HG2 THR 130 4.741 -11.837 -2.977 991 2HG2 THR 130 2HG2 THR 130 3.871 -10.348 -3.343 992 3HG2 THR 130 3HG2 THR 130 3.281 -11.425 -2.077 993 H LEU 131 H LEU 131 1.953 -9.443 -1.929 994 HA LEU 131 HA LEU 131 2.062 -7.875 -4.248 995 1HB LEU 131 2HB LEU 131 0.404 -9.655 -3.763 996 2HB LEU 131 1HB LEU 131 -0.338 -8.621 -2.564 997 HG LEU 131 HG LEU 131 -0.185 -7.724 -5.427 998 1HD1 LEU 131 1HD1 LEU 131 -2.363 -8.754 -5.818 999 2HD1 LEU 131 2HD1 LEU 131 -2.303 -9.499 -4.221 1000 3HD1 LEU 131 3HD1 LEU 131 -1.143 -9.977 -5.459 1001 1HD2 LEU 131 1HD2 LEU 131 -2.221 -6.523 -4.816 1002 2HD2 LEU 131 2HD2 LEU 131 -0.895 -6.114 -3.726 1003 3HD2 LEU 131 3HD2 LEU 131 -2.156 -7.227 -3.200 1004 H SER 132 H SER 132 0.280 -7.119 -1.251 1005 HA SER 132 HA SER 132 -0.336 -4.496 -2.068 1006 1HB SER 132 2HB SER 132 -0.359 -5.554 0.762 1007 2HB SER 132 1HB SER 132 -1.342 -4.250 0.096 1008 HG SER 132 HG SER 132 -1.593 -7.020 -0.217 1009 H TRP 133 H TRP 133 2.002 -5.659 0.373 1010 HA TRP 133 HA TRP 133 2.716 -3.006 1.133 1011 1HB TRP 133 2HB TRP 133 2.831 -4.806 2.760 1012 2HB TRP 133 1HB TRP 133 4.010 -5.664 1.775 1013 HD1 TRP 133 HD TRP 133 3.698 -2.492 3.947 1014 HE1 TRP 133 1HE TRP 133 6.052 -1.827 4.748 1015 HE3 TRP 133 3HE TRP 133 6.447 -5.916 1.322 1016 HZ2 TRP 133 2HZ TRP 133 8.719 -2.653 4.328 1017 HZ3 TRP 133 3HZ TRP 133 8.893 -5.908 1.583 1018 HH2 TRP 133 HH TRP 133 10.004 -4.310 3.055 1019 H LYS 134 H LYS 134 4.356 -5.524 -0.806 1020 HA LYS 134 HA LYS 134 6.774 -4.030 -0.940 1021 1HB LYS 134 2HB LYS 134 6.767 -6.465 -1.154 1022 2HB LYS 134 1HB LYS 134 5.850 -6.345 -2.649 1023 1HG LYS 134 2HG LYS 134 8.197 -6.777 -3.089 1024 2HG LYS 134 1HG LYS 134 7.718 -5.198 -3.714 1025 1HD LYS 134 2HD LYS 134 8.684 -4.133 -1.719 1026 2HD LYS 134 1HD LYS 134 9.194 -5.717 -1.132 1027 1HE LYS 134 2HE LYS 134 10.070 -4.443 -3.721 1028 2HE LYS 134 1HE LYS 134 11.020 -4.489 -2.237 1029 1HZ LYS 134 1HZ LYS 134 11.642 -6.225 -3.839 1030 2HZ LYS 134 2HZ LYS 134 10.088 -6.892 -3.717 1031 3HZ LYS 134 3HZ LYS 134 11.107 -6.869 -2.366 1032 H ALA 135 H ALA 135 3.861 -4.026 -2.832 1033 HA ALA 135 HA ALA 135 5.079 -2.736 -5.098 1034 1HB ALA 135 1HB ALA 135 2.785 -2.443 -5.905 1035 2HB ALA 135 2HB ALA 135 2.170 -3.027 -4.357 1036 3HB ALA 135 3HB ALA 135 3.094 -4.105 -5.405 1037 H LEU 136 H LEU 136 3.440 -1.717 -2.169 1038 HA LEU 136 HA LEU 136 3.013 0.969 -3.140 1039 1HB LEU 136 2HB LEU 136 1.672 -0.480 -1.348 1040 2HB LEU 136 1HB LEU 136 2.799 0.291 -0.248 1041 HG LEU 136 HG LEU 136 1.990 2.497 -1.424 1042 1HD1 LEU 136 1HD1 LEU 136 -0.307 0.605 -1.932 1043 2HD1 LEU 136 2HD1 LEU 136 0.660 1.432 -3.152 1044 3HD1 LEU 136 3HD1 LEU 136 -0.383 2.360 -2.075 1045 1HD2 LEU 136 1HD2 LEU 136 1.690 2.010 0.933 1046 2HD2 LEU 136 2HD2 LEU 136 0.318 0.965 0.563 1047 3HD2 LEU 136 3HD2 LEU 136 0.212 2.699 0.260 1048 H GLU 137 H GLU 137 5.069 -0.652 -0.761 1049 HA GLU 137 HA GLU 137 6.345 1.780 0.060 1050 1HB GLU 137 2HB GLU 137 6.938 -1.124 0.617 1051 2HB GLU 137 1HB GLU 137 7.882 0.197 1.292 1052 1HG GLU 137 2HG GLU 137 4.922 -0.160 1.689 1053 2HG GLU 137 1HG GLU 137 6.161 -0.686 2.828 1054 H LYS 138 H LYS 138 6.884 -0.497 -2.475 1055 HA LYS 138 HA LYS 138 9.638 0.396 -2.844 1056 1HB LYS 138 2HB LYS 138 9.063 -1.949 -3.344 1057 2HB LYS 138 1HB LYS 138 7.939 -1.410 -4.580 1058 1HG LYS 138 2HG LYS 138 10.026 -2.186 -5.557 1059 2HG LYS 138 1HG LYS 138 9.779 -0.467 -5.867 1060 1HD LYS 138 2HD LYS 138 11.300 0.081 -4.028 1061 2HD LYS 138 1HD LYS 138 11.543 -1.639 -3.716 1062 1HE LYS 138 2HE LYS 138 13.393 -0.717 -5.011 1063 2HE LYS 138 1HE LYS 138 12.500 -1.916 -5.947 1064 1HZ LYS 138 1HZ LYS 138 11.375 -0.137 -7.119 1065 2HZ LYS 138 2HZ LYS 138 13.051 0.050 -7.260 1066 3HZ LYS 138 3HZ LYS 138 12.180 1.035 -6.190 1067 H GLY 139 H GLY 139 6.487 1.284 -3.779 1068 1HA GLY 139 2HA GLY 139 7.016 2.475 -6.283 1069 2HA GLY 139 1HA GLY 139 5.672 2.868 -5.221 1070 H VAL 140 H VAL 140 6.752 3.949 -3.050 1071 HA VAL 140 HA VAL 140 7.860 6.423 -4.124 1072 HB VAL 140 HB VAL 140 7.347 7.366 -1.880 1073 1HG1 VAL 140 1HG1 VAL 140 5.050 5.987 -3.265 1074 2HG1 VAL 140 2HG1 VAL 140 5.736 7.554 -3.693 1075 3HG1 VAL 140 3HG1 VAL 140 4.911 7.345 -2.149 1076 1HG2 VAL 140 1HG2 VAL 140 5.958 6.055 -0.338 1077 2HG2 VAL 140 2HG2 VAL 140 7.553 5.334 -0.557 1078 3HG2 VAL 140 3HG2 VAL 140 6.151 4.641 -1.374 1079 H ALA 141 H ALA 141 9.084 3.649 -2.951 1080 HA ALA 141 HA ALA 141 11.123 2.986 -2.226 1081 1HB ALA 141 1HB ALA 141 11.929 5.881 -2.471 1082 2HB ALA 141 2HB ALA 141 12.059 4.663 -3.740 1083 3HB ALA 141 3HB ALA 141 13.020 4.510 -2.269 1084 H LYS 142 H LYS 142 10.478 2.299 -0.278 1085 HA LYS 142 HA LYS 142 9.756 3.680 1.970 1086 1HB LYS 142 2HB LYS 142 10.099 1.687 3.183 1087 2HB LYS 142 1HB LYS 142 9.736 1.159 1.548 1088 1HG LYS 142 2HG LYS 142 12.512 1.368 2.704 1089 2HG LYS 142 1HG LYS 142 11.562 -0.114 2.622 1090 1HD LYS 142 2HD LYS 142 11.665 -0.181 0.276 1091 2HD LYS 142 1HD LYS 142 12.178 1.505 0.165 1092 1HE LYS 142 2HE LYS 142 13.805 -0.755 1.328 1093 2HE LYS 142 1HE LYS 142 14.028 -0.050 -0.273 1094 1HZ LYS 142 1HZ LYS 142 14.408 1.304 2.344 1095 2HZ LYS 142 2HZ LYS 142 14.454 2.102 0.849 1096 3HZ LYS 142 3HZ LYS 142 15.609 0.914 1.211 1097 H GLU 143 H GLU 143 10.754 4.515 3.761 1098 HA GLU 143 HA GLU 143 12.354 5.400 5.112 1099 1HB GLU 143 2HB GLU 143 13.494 3.300 5.161 1100 2HB GLU 143 1HB GLU 143 14.139 3.539 3.546 1101 1HG GLU 143 2HG GLU 143 15.396 5.528 4.509 1102 2HG GLU 143 1HG GLU 143 14.949 4.894 6.094 1103 H GLU 144 H GLU 144 14.269 5.038 2.157 1104 HA GLU 144 HA GLU 144 13.951 7.604 1.130 1105 1HB GLU 144 2HB GLU 144 15.123 8.298 3.227 1106 2HB GLU 144 1HB GLU 144 16.502 7.322 2.738 1107 1HG GLU 144 2HG GLU 144 16.738 8.708 0.716 1108 2HG GLU 144 1HG GLU 144 15.398 9.711 1.269 1109 H GLY 145 H GLY 145 13.965 6.529 -0.791 1110 1HA GLY 145 2HA GLY 145 15.065 5.956 -2.754 1111 2HA GLY 145 1HA GLY 145 16.585 5.944 -1.871 1112 H GLY 146 H GLY 146 16.707 4.011 -3.410 1113 1HA GLY 146 2HA GLY 146 17.137 1.657 -2.543 1114 2HA GLY 146 1HA GLY 146 15.411 1.649 -2.203 1115 H ASN 147 H ASN 147 16.946 3.112 -4.999 1116 HA ASN 147 HA ASN 147 15.193 1.711 -6.786 1117 1HB ASN 147 2HB ASN 147 17.459 3.656 -7.203 1118 2HB ASN 147 1HB ASN 147 16.641 2.880 -8.554 1119 1HD2 ASN 147 1HD2 ASN 147 15.878 4.829 -9.341 1120 2HD2 ASN 147 2HD2 ASN 147 14.588 5.695 -8.571 Start of MODEL 9 1 1H MET 1 1HT MET 1 -8.139 -0.638 26.121 2 2H MET 1 2HT MET 1 -8.213 0.694 25.064 3 3H MET 1 3HT MET 1 -6.782 -0.207 25.198 4 HA MET 1 HA MET 1 -7.788 -2.110 24.240 5 1HB MET 1 2HB MET 1 -10.091 -2.070 23.416 6 2HB MET 1 1HB MET 1 -10.041 -1.796 25.149 7 1HG MET 1 2HG MET 1 -10.290 0.417 23.131 8 2HG MET 1 1HG MET 1 -11.671 -0.395 23.862 9 1HE MET 1 1HE MET 1 -11.077 2.754 23.894 10 2HE MET 1 2HE MET 1 -11.516 3.175 25.548 11 3HE MET 1 3HE MET 1 -12.525 2.063 24.625 12 H SER 2 H SER 2 -6.719 -2.189 22.398 13 HA SER 2 HA SER 2 -7.134 -0.049 20.422 14 1HB SER 2 2HB SER 2 -5.016 0.397 21.569 15 2HB SER 2 1HB SER 2 -4.465 -1.239 21.222 16 HG SER 2 HG SER 2 -5.131 0.708 19.253 17 H PHE 3 H PHE 3 -6.165 -3.370 21.084 18 HA PHE 3 HA PHE 3 -6.090 -4.017 18.251 19 1HB PHE 3 2HB PHE 3 -5.582 -5.704 20.709 20 2HB PHE 3 1HB PHE 3 -5.414 -6.277 19.051 21 HD1 PHE 3 1HD PHE 3 -3.745 -5.113 17.543 22 HD2 PHE 3 2HD PHE 3 -3.831 -4.562 21.761 23 HE1 PHE 3 1HE PHE 3 -1.439 -4.253 17.474 24 HE2 PHE 3 2HE PHE 3 -1.528 -3.700 21.702 25 HZ PHE 3 HZ PHE 3 -0.329 -3.544 19.555 26 H ASN 4 H ASN 4 -8.578 -3.178 19.330 27 HA ASN 4 HA ASN 4 -10.255 -5.548 19.382 28 1HB ASN 4 2HB ASN 4 -11.011 -2.614 19.350 29 2HB ASN 4 1HB ASN 4 -12.103 -3.961 19.662 30 1HD2 ASN 4 1HD2 ASN 4 -12.155 -4.875 21.657 31 2HD2 ASN 4 2HD2 ASN 4 -11.228 -4.295 23.002 32 H ALA 5 H ALA 5 -8.880 -3.413 17.162 33 HA ALA 5 HA ALA 5 -10.738 -3.497 15.054 34 1HB ALA 5 1HB ALA 5 -8.828 -1.952 15.106 35 2HB ALA 5 2HB ALA 5 -8.864 -2.897 13.617 36 3HB ALA 5 3HB ALA 5 -7.728 -3.315 14.899 37 H ASN 6 H ASN 6 -11.215 -5.056 13.610 38 HA ASN 6 HA ASN 6 -9.635 -7.490 13.605 39 1HB ASN 6 2HB ASN 6 -11.540 -7.750 15.228 40 2HB ASN 6 1HB ASN 6 -12.653 -7.427 13.903 41 1HD2 ASN 6 1HD2 ASN 6 -13.628 -9.436 14.102 42 2HD2 ASN 6 2HD2 ASN 6 -12.837 -10.898 13.603 43 H LEU 7 H LEU 7 -9.547 -8.351 11.667 44 HA LEU 7 HA LEU 7 -9.911 -6.837 9.392 45 1HB LEU 7 2HB LEU 7 -9.712 -9.839 9.652 46 2HB LEU 7 1HB LEU 7 -9.616 -8.978 8.129 47 HG LEU 7 HG LEU 7 -7.674 -8.688 10.425 48 1HD1 LEU 7 1HD1 LEU 7 -7.506 -10.853 9.313 49 2HD1 LEU 7 2HD1 LEU 7 -6.108 -9.841 8.950 50 3HD1 LEU 7 3HD1 LEU 7 -7.383 -10.046 7.749 51 1HD2 LEU 7 1HD2 LEU 7 -7.875 -6.620 9.165 52 2HD2 LEU 7 2HD2 LEU 7 -7.660 -7.499 7.651 53 3HD2 LEU 7 3HD2 LEU 7 -6.334 -7.402 8.810 54 H ASP 8 H ASP 8 -11.976 -9.242 10.864 55 HA ASP 8 HA ASP 8 -13.900 -9.573 8.891 56 1HB ASP 8 2HB ASP 8 -13.918 -10.961 10.855 57 2HB ASP 8 1HB ASP 8 -14.162 -9.567 11.901 58 H THR 9 H THR 9 -13.651 -7.114 11.412 59 HA THR 9 HA THR 9 -16.133 -5.842 10.709 60 HB THR 9 HB THR 9 -13.902 -4.545 12.270 61 HG1 THR 9 1HG THR 9 -14.595 -5.637 14.094 62 1HG2 THR 9 1HG2 THR 9 -15.851 -3.163 11.745 63 2HG2 THR 9 2HG2 THR 9 -15.762 -3.496 13.475 64 3HG2 THR 9 3HG2 THR 9 -16.911 -4.375 12.466 65 H LEU 10 H LEU 10 -12.729 -5.354 10.063 66 HA LEU 10 HA LEU 10 -12.964 -2.788 8.899 67 1HB LEU 10 2HB LEU 10 -10.775 -4.852 8.655 68 2HB LEU 10 1HB LEU 10 -10.646 -3.186 8.122 69 HG LEU 10 HG LEU 10 -11.075 -4.062 10.983 70 1HD1 LEU 10 1HD1 LEU 10 -8.604 -3.014 9.607 71 2HD1 LEU 10 2HD1 LEU 10 -8.859 -4.667 10.166 72 3HD1 LEU 10 3HD1 LEU 10 -8.769 -3.347 11.331 73 1HD2 LEU 10 1HD2 LEU 10 -12.048 -1.880 10.513 74 2HD2 LEU 10 2HD2 LEU 10 -10.527 -1.341 9.799 75 3HD2 LEU 10 3HD2 LEU 10 -10.610 -1.720 11.520 76 H TYR 11 H TYR 11 -12.428 -6.000 7.422 77 HA TYR 11 HA TYR 11 -12.372 -4.923 4.809 78 1HB TYR 11 2HB TYR 11 -11.947 -7.049 4.017 79 2HB TYR 11 1HB TYR 11 -11.364 -7.175 5.666 80 HD1 TYR 11 1HD TYR 11 -14.284 -7.982 3.492 81 HD2 TYR 11 2HD TYR 11 -12.180 -8.864 7.082 82 HE1 TYR 11 1HE TYR 11 -15.676 -9.983 3.812 83 HE2 TYR 11 2HE TYR 11 -13.574 -10.859 7.415 84 HH TYR 11 HH TYR 11 -15.729 -11.734 6.752 85 H ARG 12 H ARG 12 -14.940 -6.115 6.862 86 HA ARG 12 HA ARG 12 -16.893 -6.436 4.872 87 1HB ARG 12 2HB ARG 12 -17.250 -7.139 7.201 88 2HB ARG 12 1HB ARG 12 -17.270 -5.456 7.710 89 1HG ARG 12 2HG ARG 12 -19.517 -6.509 7.500 90 2HG ARG 12 1HG ARG 12 -19.304 -5.042 6.541 91 1HD ARG 12 2HD ARG 12 -18.850 -6.423 4.557 92 2HD ARG 12 1HD ARG 12 -19.097 -7.876 5.522 93 HE ARG 12 HE ARG 12 -21.400 -7.418 5.608 94 1HH1 ARG 12 1HH1 ARG 12 -19.658 -5.005 3.750 95 2HH1 ARG 12 2HH1 ARG 12 -21.067 -4.474 2.889 96 1HH2 ARG 12 1HH2 ARG 12 -23.237 -6.716 4.494 97 2HH2 ARG 12 2HH2 ARG 12 -23.125 -5.432 3.327 98 H GLN 13 H GLN 13 -15.821 -3.577 6.664 99 HA GLN 13 HA GLN 13 -17.588 -1.817 5.230 100 1HB GLN 13 2HB GLN 13 -16.797 -1.290 7.507 101 2HB GLN 13 1HB GLN 13 -15.150 -1.178 6.907 102 1HG GLN 13 2HG GLN 13 -16.119 1.021 7.215 103 2HG GLN 13 1HG GLN 13 -15.772 0.718 5.515 104 1HE2 GLN 13 1HE2 GLN 13 -17.236 2.282 4.852 105 2HE2 GLN 13 2HE2 GLN 13 -18.945 2.042 4.938 106 H VAL 14 H VAL 14 -14.169 -2.748 5.026 107 HA VAL 14 HA VAL 14 -13.400 -0.839 3.100 108 HB VAL 14 HB VAL 14 -12.236 -3.580 3.648 109 1HG1 VAL 14 1HG1 VAL 14 -11.055 -1.300 2.059 110 2HG1 VAL 14 2HG1 VAL 14 -11.633 -2.827 1.393 111 3HG1 VAL 14 3HG1 VAL 14 -10.237 -2.805 2.472 112 1HG2 VAL 14 1HG2 VAL 14 -10.511 -2.304 4.857 113 2HG2 VAL 14 2HG2 VAL 14 -12.117 -2.071 5.550 114 3HG2 VAL 14 3HG2 VAL 14 -11.404 -0.818 4.535 115 H ILE 15 H ILE 15 -14.587 -4.175 2.686 116 HA ILE 15 HA ILE 15 -14.319 -4.112 -0.152 117 HB ILE 15 HB ILE 15 -14.409 -6.211 1.313 118 1HG1 ILE 15 2HG1 ILE 15 -15.522 -7.539 -0.477 119 2HG1 ILE 15 1HG1 ILE 15 -16.118 -6.036 -1.176 120 1HG2 ILE 15 1HG2 ILE 15 -17.377 -5.725 1.072 121 2HG2 ILE 15 2HG2 ILE 15 -16.435 -5.730 2.563 122 3HG2 ILE 15 3HG2 ILE 15 -16.629 -7.218 1.637 123 1HD1 ILE 15 1HD1 ILE 15 -13.819 -5.304 -1.555 124 2HD1 ILE 15 2HD1 ILE 15 -14.162 -6.837 -2.358 125 3HD1 ILE 15 3HD1 ILE 15 -13.229 -6.816 -0.861 126 H MET 16 H MET 16 -16.854 -3.237 2.094 127 HA MET 16 HA MET 16 -18.967 -3.133 0.190 128 1HB MET 16 2HB MET 16 -19.269 -3.254 2.682 129 2HB MET 16 1HB MET 16 -18.748 -1.575 2.773 130 1HG MET 16 2HG MET 16 -21.146 -1.690 2.830 131 2HG MET 16 1HG MET 16 -20.621 -0.941 1.321 132 1HE MET 16 1HE MET 16 -22.878 -1.295 0.063 133 2HE MET 16 2HE MET 16 -23.538 -1.882 1.589 134 3HE MET 16 3HE MET 16 -23.793 -2.802 0.105 135 H ASP 17 H ASP 17 -16.824 -0.692 1.608 136 HA ASP 17 HA ASP 17 -17.828 1.486 0.116 137 1HB ASP 17 2HB ASP 17 -16.443 1.728 2.170 138 2HB ASP 17 1HB ASP 17 -15.046 1.151 1.268 139 H HIS 18 H HIS 18 -15.262 -0.862 -0.482 140 HA HIS 18 HA HIS 18 -14.278 0.396 -2.827 141 1HB HIS 18 2HB HIS 18 -13.004 -1.308 -1.504 142 2HB HIS 18 1HB HIS 18 -14.092 -2.542 -2.135 143 HD1 HIS 18 1HD HIS 18 -13.240 -3.698 -4.169 144 HD2 HIS 18 2HD HIS 18 -11.705 0.155 -3.795 145 HE1 HIS 18 1HE HIS 18 -11.627 -3.415 -6.075 146 HE2 HIS 18 2HE HIS 18 -10.782 -1.053 -5.883 147 H TYR 19 H TYR 19 -16.939 -1.774 -2.215 148 HA TYR 19 HA TYR 19 -17.342 -2.488 -4.961 149 1HB TYR 19 2HB TYR 19 -18.163 -3.782 -2.937 150 2HB TYR 19 1HB TYR 19 -19.398 -2.544 -2.751 151 HD1 TYR 19 1HD TYR 19 -21.468 -2.972 -3.679 152 HD2 TYR 19 2HD TYR 19 -18.033 -4.784 -5.410 153 HE1 TYR 19 1HE TYR 19 -22.910 -4.178 -5.263 154 HE2 TYR 19 2HE TYR 19 -19.464 -5.995 -7.002 155 HH TYR 19 HH TYR 19 -21.712 -6.704 -7.294 156 H LYS 20 H LYS 20 -18.116 0.177 -2.975 157 HA LYS 20 HA LYS 20 -20.132 1.335 -4.677 158 1HB LYS 20 2HB LYS 20 -20.023 1.802 -2.262 159 2HB LYS 20 1HB LYS 20 -18.424 2.496 -2.460 160 1HG LYS 20 2HG LYS 20 -19.463 4.247 -3.919 161 2HG LYS 20 1HG LYS 20 -21.039 3.596 -3.451 162 1HD LYS 20 2HD LYS 20 -20.486 3.986 -1.091 163 2HD LYS 20 1HD LYS 20 -18.932 4.665 -1.572 164 1HE LYS 20 2HE LYS 20 -20.344 6.503 -1.160 165 2HE LYS 20 1HE LYS 20 -20.237 6.359 -2.914 166 1HZ LYS 20 1HZ LYS 20 -22.385 5.336 -2.973 167 2HZ LYS 20 2HZ LYS 20 -22.504 6.770 -2.077 168 3HZ LYS 20 3HZ LYS 20 -22.469 5.276 -1.278 169 H ASN 21 H ASN 21 -16.746 1.106 -4.555 170 HA ASN 21 HA ASN 21 -16.361 3.346 -6.422 171 1HB ASN 21 2HB ASN 21 -14.511 1.975 -4.467 172 2HB ASN 21 1HB ASN 21 -13.898 3.013 -5.752 173 1HD2 ASN 21 1HD2 ASN 21 -15.651 2.888 -2.751 174 2HD2 ASN 21 2HD2 ASN 21 -15.641 4.593 -2.449 175 HA PRO 22 HA PRO 22 -14.941 0.581 -9.662 176 1HB PRO 22 2HB PRO 22 -12.202 1.677 -9.687 177 2HB PRO 22 1HB PRO 22 -13.422 1.666 -10.965 178 1HG PRO 22 2HG PRO 22 -12.777 3.925 -9.679 179 2HG PRO 22 1HG PRO 22 -14.442 3.595 -10.192 180 1HD PRO 22 2HD PRO 22 -13.210 3.334 -7.473 181 2HD PRO 22 1HD PRO 22 -14.800 3.979 -7.931 182 H ARG 23 H ARG 23 -13.144 -0.991 -10.318 183 HA ARG 23 HA ARG 23 -12.503 -2.643 -8.037 184 1HB ARG 23 2HB ARG 23 -11.802 -2.998 -10.961 185 2HB ARG 23 1HB ARG 23 -11.608 -4.214 -9.711 186 1HG ARG 23 2HG ARG 23 -14.054 -4.238 -9.403 187 2HG ARG 23 1HG ARG 23 -14.203 -3.085 -10.734 188 1HD ARG 23 2HD ARG 23 -14.576 -5.266 -11.633 189 2HD ARG 23 1HD ARG 23 -12.989 -4.731 -12.183 190 HE ARG 23 HE ARG 23 -13.489 -6.724 -10.066 191 1HH1 ARG 23 1HH1 ARG 23 -11.349 -5.295 -12.459 192 2HH1 ARG 23 2HH1 ARG 23 -10.126 -6.522 -12.273 193 1HH2 ARG 23 1HH2 ARG 23 -11.872 -8.309 -9.822 194 2HH2 ARG 23 2HH2 ARG 23 -10.396 -8.202 -10.758 195 H ASN 24 H ASN 24 -10.092 -3.656 -9.516 196 HA ASN 24 HA ASN 24 -8.201 -1.486 -8.924 197 1HB ASN 24 2HB ASN 24 -7.892 -4.461 -8.500 198 2HB ASN 24 1HB ASN 24 -6.516 -3.365 -8.547 199 1HD2 ASN 24 1HD2 ASN 24 -9.302 -4.390 -6.760 200 2HD2 ASN 24 2HD2 ASN 24 -8.886 -3.599 -5.276 201 H LYS 25 H LYS 25 -8.413 -0.794 -11.110 202 HA LYS 25 HA LYS 25 -6.687 -2.327 -12.883 203 1HB LYS 25 2HB LYS 25 -8.966 -3.026 -13.496 204 2HB LYS 25 1HB LYS 25 -9.418 -1.345 -13.744 205 1HG LYS 25 2HG LYS 25 -7.901 -1.154 -15.600 206 2HG LYS 25 1HG LYS 25 -7.263 -2.771 -15.293 207 1HD LYS 25 2HD LYS 25 -8.808 -2.867 -17.137 208 2HD LYS 25 1HD LYS 25 -9.509 -3.700 -15.751 209 1HE LYS 25 2HE LYS 25 -11.227 -2.392 -16.758 210 2HE LYS 25 1HE LYS 25 -10.783 -1.612 -15.241 211 1HZ LYS 25 1HZ LYS 25 -9.511 0.010 -16.437 212 2HZ LYS 25 2HZ LYS 25 -11.063 -0.055 -17.115 213 3HZ LYS 25 3HZ LYS 25 -9.759 -0.796 -17.907 214 H GLY 26 H GLY 26 -5.097 -0.921 -13.158 215 1HA GLY 26 2HA GLY 26 -5.589 1.434 -14.691 216 2HA GLY 26 1HA GLY 26 -5.125 1.816 -13.037 217 H VAL 27 H VAL 27 -3.928 1.596 -16.022 218 HA VAL 27 HA VAL 27 -1.249 1.012 -14.967 219 HB VAL 27 HB VAL 27 -1.763 -0.873 -16.338 220 1HG1 VAL 27 1HG1 VAL 27 -2.457 -0.708 -18.671 221 2HG1 VAL 27 2HG1 VAL 27 -2.525 1.051 -18.533 222 3HG1 VAL 27 3HG1 VAL 27 -3.634 0.047 -17.597 223 1HG2 VAL 27 1HG2 VAL 27 -0.065 -0.712 -18.098 224 2HG2 VAL 27 2HG2 VAL 27 0.493 -0.014 -16.577 225 3HG2 VAL 27 3HG2 VAL 27 -0.025 1.041 -17.894 226 H LEU 28 H LEU 28 -0.433 2.983 -14.739 227 HA LEU 28 HA LEU 28 -0.468 4.752 -17.112 228 1HB LEU 28 2HB LEU 28 -1.861 5.414 -15.021 229 2HB LEU 28 1HB LEU 28 -0.313 5.758 -14.283 230 HG LEU 28 HG LEU 28 -1.337 7.091 -16.795 231 1HD1 LEU 28 1HD1 LEU 28 -1.272 8.059 -13.943 232 2HD1 LEU 28 2HD1 LEU 28 -2.710 7.673 -14.885 233 3HD1 LEU 28 3HD1 LEU 28 -1.695 9.038 -15.347 234 1HD2 LEU 28 1HD2 LEU 28 1.095 7.061 -16.654 235 2HD2 LEU 28 2HD2 LEU 28 1.018 7.720 -15.019 236 3HD2 LEU 28 3HD2 LEU 28 0.471 8.688 -16.389 237 H ASN 29 H ASN 29 1.557 3.782 -17.725 238 HA ASN 29 HA ASN 29 3.803 4.011 -15.939 239 1HB ASN 29 2HB ASN 29 5.123 3.282 -17.988 240 2HB ASN 29 1HB ASN 29 3.911 2.150 -17.401 241 1HD2 ASN 29 1HD2 ASN 29 4.911 4.182 -19.994 242 2HD2 ASN 29 2HD2 ASN 29 3.686 3.703 -21.125 243 H ASP 30 H ASP 30 4.267 6.036 -15.418 244 HA ASP 30 HA ASP 30 4.939 7.893 -17.606 245 1HB ASP 30 2HB ASP 30 2.824 8.572 -16.509 246 2HB ASP 30 1HB ASP 30 3.661 8.629 -14.962 247 H SER 31 H SER 31 5.218 8.055 -14.075 248 HA SER 31 HA SER 31 8.067 8.635 -14.422 249 1HB SER 31 2HB SER 31 7.730 9.322 -11.900 250 2HB SER 31 1HB SER 31 7.188 10.392 -13.195 251 HG SER 31 HG SER 31 5.129 9.855 -12.808 252 H ILE 32 H ILE 32 5.960 6.879 -12.131 253 HA ILE 32 HA ILE 32 8.072 4.831 -11.988 254 HB ILE 32 HB ILE 32 7.329 4.306 -9.692 255 1HG1 ILE 32 2HG1 ILE 32 5.753 6.884 -9.862 256 2HG1 ILE 32 1HG1 ILE 32 5.036 5.278 -9.923 257 1HG2 ILE 32 1HG2 ILE 32 8.393 6.227 -8.606 258 2HG2 ILE 32 2HG2 ILE 32 8.239 7.151 -10.100 259 3HG2 ILE 32 3HG2 ILE 32 9.271 5.721 -10.050 260 1HD1 ILE 32 1HD1 ILE 32 4.829 6.229 -7.715 261 2HD1 ILE 32 2HD1 ILE 32 6.575 6.451 -7.623 262 3HD1 ILE 32 3HD1 ILE 32 5.894 4.825 -7.678 263 H VAL 33 H VAL 33 7.492 2.767 -12.222 264 HA VAL 33 HA VAL 33 4.648 2.073 -12.230 265 HB VAL 33 HB VAL 33 5.044 2.327 -14.554 266 1HG1 VAL 33 1HG1 VAL 33 7.563 0.709 -14.225 267 2HG1 VAL 33 2HG1 VAL 33 7.469 2.443 -14.529 268 3HG1 VAL 33 3HG1 VAL 33 6.910 1.303 -15.752 269 1HG2 VAL 33 1HG2 VAL 33 3.845 0.290 -13.993 270 2HG2 VAL 33 2HG2 VAL 33 5.367 -0.595 -13.896 271 3HG2 VAL 33 3HG2 VAL 33 4.825 0.057 -15.441 272 H VAL 34 H VAL 34 4.466 0.668 -10.634 273 HA VAL 34 HA VAL 34 6.707 -1.169 -10.094 274 HB VAL 34 HB VAL 34 4.525 -0.316 -8.185 275 1HG1 VAL 34 1HG1 VAL 34 5.558 -2.457 -7.635 276 2HG1 VAL 34 2HG1 VAL 34 5.995 -1.217 -6.458 277 3HG1 VAL 34 3HG1 VAL 34 7.154 -1.707 -7.694 278 1HG2 VAL 34 1HG2 VAL 34 6.211 1.137 -7.153 279 2HG2 VAL 34 2HG2 VAL 34 5.855 1.617 -8.812 280 3HG2 VAL 34 3HG2 VAL 34 7.338 0.736 -8.449 281 H ASP 35 H ASP 35 6.336 -3.338 -9.836 282 HA ASP 35 HA ASP 35 3.593 -4.332 -10.122 283 1HB ASP 35 2HB ASP 35 4.375 -4.598 -12.332 284 2HB ASP 35 1HB ASP 35 5.980 -5.080 -11.798 285 H MET 36 H MET 36 3.119 -6.056 -8.854 286 HA MET 36 HA MET 36 5.174 -7.694 -7.700 287 1HB MET 36 2HB MET 36 4.976 -5.670 -6.185 288 2HB MET 36 1HB MET 36 3.301 -6.127 -5.905 289 1HG MET 36 2HG MET 36 4.700 -6.869 -4.085 290 2HG MET 36 1HG MET 36 4.037 -8.250 -4.954 291 1HE MET 36 1HE MET 36 7.559 -9.523 -3.769 292 2HE MET 36 2HE MET 36 5.821 -9.819 -3.743 293 3HE MET 36 3HE MET 36 6.489 -8.423 -2.899 294 H ASN 37 H ASN 37 4.219 -9.641 -6.958 295 HA ASN 37 HA ASN 37 1.374 -9.989 -7.052 296 1HB ASN 37 2HB ASN 37 1.382 -11.583 -8.953 297 2HB ASN 37 1HB ASN 37 1.769 -9.935 -9.426 298 1HD2 ASN 37 1HD2 ASN 37 3.765 -9.467 -10.226 299 2HD2 ASN 37 2HD2 ASN 37 4.935 -10.675 -10.634 300 H ASN 38 H ASN 38 0.621 -12.063 -6.563 301 HA ASN 38 HA ASN 38 2.620 -14.025 -5.610 302 1HB ASN 38 2HB ASN 38 -0.387 -13.975 -5.166 303 2HB ASN 38 1HB ASN 38 0.723 -15.168 -4.514 304 1HD2 ASN 38 1HD2 ASN 38 1.644 -14.786 -2.568 305 2HD2 ASN 38 2HD2 ASN 38 1.500 -13.297 -1.700 306 HA PRO 39 HA PRO 39 1.838 -15.891 -9.546 307 1HB PRO 39 2HB PRO 39 3.000 -18.300 -9.145 308 2HB PRO 39 1HB PRO 39 3.926 -16.805 -9.324 309 1HG PRO 39 2HG PRO 39 3.139 -18.254 -6.821 310 2HG PRO 39 1HG PRO 39 4.711 -17.560 -7.261 311 1HD PRO 39 2HD PRO 39 2.983 -16.288 -5.625 312 2HD PRO 39 1HD PRO 39 4.049 -15.411 -6.741 313 H THR 40 H THR 40 -0.423 -16.017 -7.799 314 HA THR 40 HA THR 40 -2.203 -17.588 -8.995 315 HB THR 40 HB THR 40 -0.805 -19.592 -8.455 316 HG1 THR 40 1HG THR 40 -3.485 -19.301 -7.648 317 1HG2 THR 40 1HG2 THR 40 -0.800 -20.476 -6.177 318 2HG2 THR 40 2HG2 THR 40 -1.672 -19.052 -5.610 319 3HG2 THR 40 3HG2 THR 40 -0.028 -18.891 -6.227 320 H CYS 41 H CYS 41 -1.201 -15.834 -6.341 321 HA CYS 41 HA CYS 41 -3.822 -16.026 -5.031 322 1HB CYS 41 2HB CYS 41 -2.213 -17.428 -3.789 323 2HB CYS 41 1HB CYS 41 -1.164 -16.029 -3.589 324 HG CYS 41 HG CYS 41 -3.753 -16.991 -1.779 325 H GLY 42 H GLY 42 -2.366 -14.094 -6.796 326 1HA GLY 42 2HA GLY 42 -3.250 -11.651 -5.982 327 2HA GLY 42 1HA GLY 42 -1.675 -11.806 -5.200 328 H ASP 43 H ASP 43 -2.987 -12.783 -8.284 329 HA ASP 43 HA ASP 43 -0.714 -13.029 -9.694 330 1HB ASP 43 2HB ASP 43 -3.490 -12.368 -10.578 331 2HB ASP 43 1HB ASP 43 -2.187 -12.589 -11.744 332 H ARG 44 H ARG 44 -2.356 -9.855 -9.263 333 HA ARG 44 HA ARG 44 0.182 -8.711 -10.052 334 1HB ARG 44 2HB ARG 44 -0.666 -7.322 -11.872 335 2HB ARG 44 1HB ARG 44 -0.862 -9.028 -12.244 336 1HG ARG 44 2HG ARG 44 -3.253 -8.480 -11.106 337 2HG ARG 44 1HG ARG 44 -2.876 -6.933 -11.865 338 1HD ARG 44 2HD ARG 44 -2.816 -9.597 -13.269 339 2HD ARG 44 1HD ARG 44 -4.173 -8.476 -13.313 340 HE ARG 44 HE ARG 44 -2.596 -6.875 -14.405 341 1HH1 ARG 44 1HH1 ARG 44 -1.897 -10.303 -14.470 342 2HH1 ARG 44 2HH1 ARG 44 -1.107 -10.251 -16.014 343 1HH2 ARG 44 1HH2 ARG 44 -1.605 -6.804 -16.483 344 2HH2 ARG 44 2HH2 ARG 44 -0.909 -8.263 -17.139 345 H ILE 45 H ILE 45 0.603 -6.909 -8.933 346 HA ILE 45 HA ILE 45 -1.643 -5.066 -8.574 347 HB ILE 45 HB ILE 45 -1.213 -5.902 -6.330 348 1HG1 ILE 45 2HG1 ILE 45 -0.111 -3.111 -6.722 349 2HG1 ILE 45 1HG1 ILE 45 -1.813 -3.535 -6.598 350 1HG2 ILE 45 1HG2 ILE 45 0.933 -5.567 -5.205 351 2HG2 ILE 45 2HG2 ILE 45 1.631 -5.004 -6.724 352 3HG2 ILE 45 3HG2 ILE 45 1.069 -6.668 -6.576 353 1HD1 ILE 45 1HD1 ILE 45 0.252 -3.862 -4.433 354 2HD1 ILE 45 2HD1 ILE 45 -1.454 -4.293 -4.305 355 3HD1 ILE 45 3HD1 ILE 45 -0.984 -2.607 -4.522 356 H ARG 46 H ARG 46 -1.183 -3.861 -10.254 357 HA ARG 46 HA ARG 46 1.554 -2.947 -10.710 358 1HB ARG 46 2HB ARG 46 0.126 -3.916 -12.559 359 2HB ARG 46 1HB ARG 46 -0.883 -2.483 -12.431 360 1HG ARG 46 2HG ARG 46 1.053 -1.085 -12.982 361 2HG ARG 46 1HG ARG 46 2.040 -2.539 -13.151 362 1HD ARG 46 2HD ARG 46 -0.315 -1.692 -14.819 363 2HD ARG 46 1HD ARG 46 1.360 -1.895 -15.333 364 HE ARG 46 HE ARG 46 -0.573 -4.037 -14.763 365 1HH1 ARG 46 1HH1 ARG 46 2.608 -3.068 -15.870 366 2HH1 ARG 46 2HH1 ARG 46 2.965 -4.603 -16.595 367 1HH2 ARG 46 1HH2 ARG 46 -0.119 -6.030 -15.710 368 2HH2 ARG 46 2HH2 ARG 46 1.388 -6.291 -16.538 369 H LEU 47 H LEU 47 2.075 -1.200 -9.608 370 HA LEU 47 HA LEU 47 0.049 0.859 -9.133 371 1HB LEU 47 2HB LEU 47 1.090 -0.080 -7.118 372 2HB LEU 47 1HB LEU 47 2.674 0.362 -7.727 373 HG LEU 47 HG LEU 47 2.016 2.746 -7.644 374 1HD1 LEU 47 1HD1 LEU 47 -0.379 2.487 -7.896 375 2HD1 LEU 47 2HD1 LEU 47 -0.003 3.379 -6.422 376 3HD1 LEU 47 3HD1 LEU 47 -0.475 1.682 -6.329 377 1HD2 LEU 47 1HD2 LEU 47 2.092 2.966 -5.216 378 2HD2 LEU 47 2HD2 LEU 47 3.227 1.741 -5.787 379 3HD2 LEU 47 3HD2 LEU 47 1.703 1.255 -5.045 380 H THR 48 H THR 48 0.128 2.230 -10.771 381 HA THR 48 HA THR 48 2.767 3.185 -11.641 382 HB THR 48 HB THR 48 1.474 3.847 -13.738 383 HG1 THR 48 1HG THR 48 -0.600 3.464 -12.546 384 1HG2 THR 48 1HG2 THR 48 2.972 1.929 -13.729 385 2HG2 THR 48 2HG2 THR 48 1.521 1.558 -14.659 386 3HG2 THR 48 3HG2 THR 48 1.707 0.921 -13.026 387 H MET 49 H MET 49 3.148 5.066 -10.635 388 HA MET 49 HA MET 49 0.870 6.845 -10.110 389 1HB MET 49 2HB MET 49 3.569 6.622 -8.783 390 2HB MET 49 1HB MET 49 2.462 7.952 -8.489 391 1HG MET 49 2HG MET 49 0.790 6.362 -7.663 392 2HG MET 49 1HG MET 49 1.934 5.045 -7.924 393 1HE MET 49 1HE MET 49 1.477 4.393 -5.322 394 2HE MET 49 2HE MET 49 0.426 5.798 -5.147 395 3HE MET 49 3HE MET 49 1.729 5.524 -3.990 396 H LYS 50 H LYS 50 1.380 9.171 -10.128 397 HA LYS 50 HA LYS 50 3.451 9.846 -12.093 398 1HB LYS 50 2HB LYS 50 1.191 9.997 -13.122 399 2HB LYS 50 1HB LYS 50 0.736 11.167 -11.889 400 1HG LYS 50 2HG LYS 50 2.466 12.691 -12.691 401 2HG LYS 50 1HG LYS 50 2.932 11.516 -13.921 402 1HD LYS 50 2HD LYS 50 0.666 11.673 -14.884 403 2HD LYS 50 1HD LYS 50 0.262 12.904 -13.686 404 1HE LYS 50 2HE LYS 50 0.855 13.977 -15.765 405 2HE LYS 50 1HE LYS 50 2.099 14.307 -14.558 406 1HZ LYS 50 1HZ LYS 50 3.195 13.762 -16.571 407 2HZ LYS 50 2HZ LYS 50 2.232 12.387 -16.817 408 3HZ LYS 50 3HZ LYS 50 3.366 12.408 -15.562 409 H LEU 51 H LEU 51 4.816 10.291 -10.358 410 HA LEU 51 HA LEU 51 4.110 12.589 -8.720 411 1HB LEU 51 2HB LEU 51 6.553 12.041 -7.829 412 2HB LEU 51 1HB LEU 51 5.131 11.208 -7.244 413 HG LEU 51 HG LEU 51 5.715 9.457 -9.094 414 1HD1 LEU 51 1HD1 LEU 51 7.484 10.757 -10.164 415 2HD1 LEU 51 2HD1 LEU 51 8.099 9.237 -9.516 416 3HD1 LEU 51 3HD1 LEU 51 8.402 10.748 -8.657 417 1HD2 LEU 51 1HD2 LEU 51 7.323 9.756 -6.565 418 2HD2 LEU 51 2HD2 LEU 51 7.121 8.264 -7.485 419 3HD2 LEU 51 3HD2 LEU 51 5.728 9.019 -6.709 420 H ASP 52 H ASP 52 4.091 14.138 -10.315 421 HA ASP 52 HA ASP 52 6.548 14.432 -11.895 422 1HB ASP 52 2HB ASP 52 4.239 14.334 -13.005 423 2HB ASP 52 1HB ASP 52 3.985 15.952 -12.353 424 H GLY 53 H GLY 53 7.499 15.132 -9.862 425 1HA GLY 53 2HA GLY 53 8.331 17.599 -9.581 426 2HA GLY 53 1HA GLY 53 6.697 17.787 -8.949 427 H ASP 54 H ASP 54 6.222 17.115 -6.957 428 HA ASP 54 HA ASP 54 8.118 15.466 -5.466 429 1HB ASP 54 2HB ASP 54 8.774 17.869 -5.183 430 2HB ASP 54 1HB ASP 54 7.182 18.188 -4.510 431 H ILE 55 H ILE 55 5.350 15.192 -6.551 432 HA ILE 55 HA ILE 55 3.816 14.931 -4.107 433 HB ILE 55 HB ILE 55 1.830 15.765 -5.584 434 1HG1 ILE 55 2HG1 ILE 55 2.550 17.684 -7.065 435 2HG1 ILE 55 1HG1 ILE 55 4.193 17.069 -6.952 436 1HG2 ILE 55 1HG2 ILE 55 2.143 18.046 -4.764 437 2HG2 ILE 55 2HG2 ILE 55 3.831 17.679 -4.410 438 3HG2 ILE 55 3HG2 ILE 55 2.545 16.841 -3.541 439 1HD1 ILE 55 1HD1 ILE 55 3.133 16.399 -9.032 440 2HD1 ILE 55 2HD1 ILE 55 1.839 15.606 -8.132 441 3HD1 ILE 55 3HD1 ILE 55 3.489 14.993 -8.028 442 H VAL 56 H VAL 56 2.303 13.320 -4.209 443 HA VAL 56 HA VAL 56 2.407 11.504 -6.468 444 HB VAL 56 HB VAL 56 0.684 11.308 -3.985 445 1HG1 VAL 56 1HG1 VAL 56 0.482 8.945 -4.588 446 2HG1 VAL 56 2HG1 VAL 56 1.427 9.236 -6.048 447 3HG1 VAL 56 3HG1 VAL 56 -0.156 9.992 -5.857 448 1HG2 VAL 56 1HG2 VAL 56 3.037 11.310 -3.373 449 2HG2 VAL 56 2HG2 VAL 56 3.367 10.053 -4.566 450 3HG2 VAL 56 3HG2 VAL 56 2.350 9.698 -3.169 451 H GLU 57 H GLU 57 1.489 12.674 -8.139 452 HA GLU 57 HA GLU 57 -0.947 14.151 -7.786 453 1HB GLU 57 2HB GLU 57 0.719 14.905 -9.398 454 2HB GLU 57 1HB GLU 57 0.585 13.392 -10.280 455 1HG GLU 57 2HG GLU 57 -0.600 15.147 -11.435 456 2HG GLU 57 1HG GLU 57 -1.731 13.931 -10.845 457 H ASP 58 H ASP 58 -0.069 11.325 -9.757 458 HA ASP 58 HA ASP 58 -2.851 10.416 -9.405 459 1HB ASP 58 2HB ASP 58 -2.267 11.267 -11.742 460 2HB ASP 58 1HB ASP 58 -1.232 9.847 -11.883 461 H ALA 59 H ALA 59 -3.122 8.076 -9.625 462 HA ALA 59 HA ALA 59 -0.813 6.387 -9.322 463 1HB ALA 59 1HB ALA 59 -1.029 7.235 -7.042 464 2HB ALA 59 2HB ALA 59 -1.448 5.523 -7.115 465 3HB ALA 59 3HB ALA 59 -2.720 6.740 -7.007 466 H LYS 60 H LYS 60 -1.315 4.635 -10.475 467 HA LYS 60 HA LYS 60 -4.156 3.865 -10.608 468 1HB LYS 60 2HB LYS 60 -1.946 3.587 -12.648 469 2HB LYS 60 1HB LYS 60 -3.484 2.749 -12.780 470 1HG LYS 60 2HG LYS 60 -3.218 5.739 -12.605 471 2HG LYS 60 1HG LYS 60 -3.314 4.837 -14.120 472 1HD LYS 60 2HD LYS 60 -5.486 3.922 -13.405 473 2HD LYS 60 1HD LYS 60 -5.391 4.893 -11.934 474 1HE LYS 60 2HE LYS 60 -5.360 6.017 -14.730 475 2HE LYS 60 1HE LYS 60 -6.798 5.902 -13.717 476 1HZ LYS 60 1HZ LYS 60 -5.725 7.332 -12.096 477 2HZ LYS 60 2HZ LYS 60 -5.818 8.095 -13.603 478 3HZ LYS 60 3HZ LYS 60 -4.343 7.452 -13.068 479 H PHE 61 H PHE 61 -4.684 1.767 -10.212 480 HA PHE 61 HA PHE 61 -2.499 0.012 -9.370 481 1HB PHE 61 2HB PHE 61 -4.154 -0.725 -7.508 482 2HB PHE 61 1HB PHE 61 -3.232 0.756 -7.293 483 HD1 PHE 61 1HD PHE 61 -4.331 2.942 -7.494 484 HD2 PHE 61 2HD PHE 61 -6.541 -0.687 -7.734 485 HE1 PHE 61 1HE PHE 61 -6.412 4.188 -7.095 486 HE2 PHE 61 2HE PHE 61 -8.626 0.555 -7.345 487 HZ PHE 61 HZ PHE 61 -8.564 2.996 -7.022 488 H GLU 62 H GLU 62 -2.587 -1.391 -11.031 489 HA GLU 62 HA GLU 62 -5.123 -2.685 -11.674 490 1HB GLU 62 2HB GLU 62 -3.589 -2.173 -13.527 491 2HB GLU 62 1HB GLU 62 -2.335 -3.147 -12.771 492 1HG GLU 62 2HG GLU 62 -3.842 -5.120 -12.982 493 2HG GLU 62 1HG GLU 62 -4.948 -4.103 -13.905 494 H GLY 63 H GLY 63 -5.735 -4.039 -10.079 495 1HA GLY 63 2HA GLY 63 -3.690 -5.881 -9.020 496 2HA GLY 63 1HA GLY 63 -4.834 -5.068 -7.966 497 H GLU 64 H GLU 64 -4.168 -7.881 -9.550 498 HA GLU 64 HA GLU 64 -6.971 -8.735 -9.276 499 1HB GLU 64 2HB GLU 64 -5.022 -9.624 -11.417 500 2HB GLU 64 1HB GLU 64 -6.611 -10.328 -11.147 501 1HG GLU 64 2HG GLU 64 -6.142 -7.443 -11.856 502 2HG GLU 64 1HG GLU 64 -6.485 -8.708 -13.032 503 H GLY 65 H GLY 65 -7.202 -10.405 -7.953 504 1HA GLY 65 2HA GLY 65 -5.511 -12.514 -7.450 505 2HA GLY 65 1HA GLY 65 -4.954 -11.209 -6.412 506 H CYS 66 H CYS 66 -5.653 -11.548 -4.423 507 HA CYS 66 HA CYS 66 -8.206 -12.901 -4.029 508 1HB CYS 66 2HB CYS 66 -7.234 -12.905 -1.577 509 2HB CYS 66 1HB CYS 66 -6.672 -14.067 -2.774 510 HG CYS 66 HG CYS 66 -4.928 -11.187 -2.627 511 H SER 67 H SER 67 -9.496 -12.168 -2.132 512 HA SER 67 HA SER 67 -10.455 -9.609 -2.682 513 1HB SER 67 2HB SER 67 -10.913 -11.040 -0.069 514 2HB SER 67 1HB SER 67 -12.022 -9.990 -0.951 515 HG SER 67 HG SER 67 -12.146 -11.597 -2.579 516 H ILE 68 H ILE 68 -8.224 -10.721 -0.186 517 HA ILE 68 HA ILE 68 -8.352 -8.287 1.300 518 HB ILE 68 HB ILE 68 -6.317 -9.204 2.496 519 1HG1 ILE 68 2HG1 ILE 68 -6.214 -11.807 2.117 520 2HG1 ILE 68 1HG1 ILE 68 -6.776 -11.396 0.501 521 1HG2 ILE 68 1HG2 ILE 68 -8.799 -10.903 2.380 522 2HG2 ILE 68 2HG2 ILE 68 -8.583 -9.436 3.335 523 3HG2 ILE 68 3HG2 ILE 68 -7.628 -10.874 3.698 524 1HD1 ILE 68 1HD1 ILE 68 -4.375 -11.608 0.531 525 2HD1 ILE 68 2HD1 ILE 68 -4.259 -10.414 1.824 526 3HD1 ILE 68 3HD1 ILE 68 -4.826 -9.930 0.226 527 H SER 69 H SER 69 -6.237 -9.482 -1.237 528 HA SER 69 HA SER 69 -4.287 -7.406 -0.828 529 1HB SER 69 2HB SER 69 -3.324 -8.305 -2.991 530 2HB SER 69 1HB SER 69 -3.463 -9.485 -1.687 531 HG SER 69 HG SER 69 -5.236 -9.151 -3.885 532 H MET 70 H MET 70 -7.006 -8.024 -2.932 533 HA MET 70 HA MET 70 -6.639 -5.688 -4.538 534 1HB MET 70 2HB MET 70 -9.101 -7.381 -4.069 535 2HB MET 70 1HB MET 70 -8.949 -6.139 -5.305 536 1HG MET 70 2HG MET 70 -7.176 -7.393 -6.383 537 2HG MET 70 1HG MET 70 -7.259 -8.623 -5.123 538 1HE MET 70 1HE MET 70 -9.037 -7.000 -8.213 539 2HE MET 70 2HE MET 70 -10.188 -6.681 -6.917 540 3HE MET 70 3HE MET 70 -10.601 -7.815 -8.202 541 H ALA 71 H ALA 71 -7.773 -6.229 -1.374 542 HA ALA 71 HA ALA 71 -9.414 -3.844 -1.270 543 1HB ALA 71 1HB ALA 71 -9.754 -4.404 1.065 544 2HB ALA 71 2HB ALA 71 -8.522 -5.662 0.960 545 3HB ALA 71 3HB ALA 71 -10.023 -5.821 0.050 546 H SER 72 H SER 72 -6.360 -4.976 0.180 547 HA SER 72 HA SER 72 -5.763 -2.636 1.582 548 1HB SER 72 2HB SER 72 -3.384 -3.504 1.487 549 2HB SER 72 1HB SER 72 -4.577 -4.641 2.115 550 HG SER 72 HG SER 72 -2.914 -5.051 0.143 551 H ALA 73 H ALA 73 -4.815 -3.657 -1.648 552 HA ALA 73 HA ALA 73 -3.125 -1.662 -2.430 553 1HB ALA 73 1HB ALA 73 -3.637 -3.644 -3.774 554 2HB ALA 73 2HB ALA 73 -3.784 -2.163 -4.718 555 3HB ALA 73 3HB ALA 73 -5.232 -2.986 -4.135 556 H SER 74 H SER 74 -6.642 -1.671 -3.117 557 HA SER 74 HA SER 74 -6.757 0.892 -4.178 558 1HB SER 74 2HB SER 74 -8.944 -0.506 -2.624 559 2HB SER 74 1HB SER 74 -9.155 0.791 -3.798 560 HG SER 74 HG SER 74 -7.774 -1.099 -5.006 561 H MET 75 H MET 75 -7.038 -0.163 -0.822 562 HA MET 75 HA MET 75 -8.002 2.331 0.156 563 1HB MET 75 2HB MET 75 -8.390 0.192 1.328 564 2HB MET 75 1HB MET 75 -6.666 0.064 1.650 565 1HG MET 75 2HG MET 75 -7.817 0.844 3.616 566 2HG MET 75 1HG MET 75 -6.779 2.122 2.986 567 1HE MET 75 1HE MET 75 -9.857 4.052 4.501 568 2HE MET 75 2HE MET 75 -8.104 3.868 4.530 569 3HE MET 75 3HE MET 75 -9.137 2.563 5.115 570 H MET 76 H MET 76 -4.836 0.721 0.239 571 HA MET 76 HA MET 76 -3.601 2.884 1.643 572 1HB MET 76 2HB MET 76 -2.447 0.512 0.179 573 2HB MET 76 1HB MET 76 -1.481 1.655 1.104 574 1HG MET 76 2HG MET 76 -2.704 1.070 3.126 575 2HG MET 76 1HG MET 76 -3.698 -0.058 2.206 576 1HE MET 76 1HE MET 76 -0.134 0.764 3.580 577 2HE MET 76 2HE MET 76 0.179 0.643 1.849 578 3HE MET 76 3HE MET 76 0.828 -0.573 2.951 579 H THR 77 H THR 77 -3.796 1.929 -1.752 580 HA THR 77 HA THR 77 -1.850 3.700 -2.751 581 HB THR 77 HB THR 77 -4.320 2.663 -4.162 582 HG1 THR 77 1HG THR 77 -3.140 0.906 -3.629 583 1HG2 THR 77 1HG2 THR 77 -3.318 4.568 -5.330 584 2HG2 THR 77 2HG2 THR 77 -3.069 3.070 -6.226 585 3HG2 THR 77 3HG2 THR 77 -1.747 3.772 -5.293 586 H GLN 78 H GLN 78 -5.131 4.222 -1.750 587 HA GLN 78 HA GLN 78 -5.321 6.745 -3.171 588 1HB GLN 78 2HB GLN 78 -7.255 5.237 -1.419 589 2HB GLN 78 1HB GLN 78 -7.584 6.858 -2.020 590 1HG GLN 78 2HG GLN 78 -7.401 6.067 -4.311 591 2HG GLN 78 1HG GLN 78 -7.021 4.446 -3.732 592 1HE2 GLN 78 1HE2 GLN 78 -9.363 6.479 -2.164 593 2HE2 GLN 78 2HE2 GLN 78 -10.762 5.570 -2.635 594 H ALA 79 H ALA 79 -5.021 5.544 0.126 595 HA ALA 79 HA ALA 79 -5.023 8.057 1.402 596 1HB ALA 79 1HB ALA 79 -3.901 6.906 3.248 597 2HB ALA 79 2HB ALA 79 -3.611 5.515 2.203 598 3HB ALA 79 3HB ALA 79 -5.261 5.967 2.634 599 H ILE 80 H ILE 80 -2.511 6.148 -0.169 600 HA ILE 80 HA ILE 80 -0.418 8.000 0.614 601 HB ILE 80 HB ILE 80 -0.186 5.459 0.149 602 1HG1 ILE 80 2HG1 ILE 80 1.690 7.150 0.566 603 2HG1 ILE 80 1HG1 ILE 80 2.127 5.652 -0.241 604 1HG2 ILE 80 1HG2 ILE 80 -1.196 5.419 -2.041 605 2HG2 ILE 80 2HG2 ILE 80 0.477 4.866 -2.126 606 3HG2 ILE 80 3HG2 ILE 80 0.056 6.492 -2.666 607 1HD1 ILE 80 1HD1 ILE 80 1.705 8.318 -1.566 608 2HD1 ILE 80 2HD1 ILE 80 2.138 6.818 -2.384 609 3HD1 ILE 80 3HD1 ILE 80 3.255 7.548 -1.231 610 H LYS 81 H LYS 81 -2.690 7.669 -1.914 611 HA LYS 81 HA LYS 81 -1.436 9.114 -3.979 612 1HB LYS 81 2HB LYS 81 -3.506 7.675 -4.124 613 2HB LYS 81 1HB LYS 81 -4.394 8.996 -3.383 614 1HG LYS 81 2HG LYS 81 -3.748 10.436 -5.290 615 2HG LYS 81 1HG LYS 81 -2.988 9.029 -6.044 616 1HD LYS 81 2HD LYS 81 -5.172 7.854 -5.915 617 2HD LYS 81 1HD LYS 81 -5.897 9.345 -5.312 618 1HE LYS 81 2HE LYS 81 -5.173 10.474 -7.398 619 2HE LYS 81 1HE LYS 81 -4.593 8.918 -7.996 620 1HZ LYS 81 1HZ LYS 81 -7.388 9.670 -7.347 621 2HZ LYS 81 2HZ LYS 81 -6.907 8.084 -7.671 622 3HZ LYS 81 3HZ LYS 81 -6.758 9.271 -8.871 623 H GLY 82 H GLY 82 -2.874 10.088 -1.001 624 1HA GLY 82 2HA GLY 82 -2.955 12.889 -1.900 625 2HA GLY 82 1HA GLY 82 -3.743 12.256 -0.461 626 H LYS 83 H LYS 83 -0.406 11.759 -1.562 627 HA LYS 83 HA LYS 83 0.541 13.239 0.792 628 1HB LYS 83 2HB LYS 83 1.434 10.456 -0.015 629 2HB LYS 83 1HB LYS 83 2.209 11.438 1.220 630 1HG LYS 83 2HG LYS 83 0.193 11.378 2.570 631 2HG LYS 83 1HG LYS 83 -0.641 10.463 1.314 632 1HD LYS 83 2HD LYS 83 1.010 8.641 1.594 633 2HD LYS 83 1HD LYS 83 1.763 9.553 2.905 634 1HE LYS 83 2HE LYS 83 -0.282 9.438 4.199 635 2HE LYS 83 1HE LYS 83 -1.112 8.633 2.871 636 1HZ LYS 83 1HZ LYS 83 1.166 7.534 4.432 637 2HZ LYS 83 2HZ LYS 83 0.444 6.768 3.115 638 3HZ LYS 83 3HZ LYS 83 -0.449 7.032 4.530 639 H ASP 84 H ASP 84 3.198 13.017 0.520 640 HA ASP 84 HA ASP 84 3.787 13.743 -2.237 641 1HB ASP 84 2HB ASP 84 5.217 14.626 0.291 642 2HB ASP 84 1HB ASP 84 5.608 15.128 -1.348 643 H ILE 85 H ILE 85 6.477 13.593 -2.032 644 HA ILE 85 HA ILE 85 6.832 10.718 -2.032 645 HB ILE 85 HB ILE 85 8.568 13.013 -2.899 646 1HG1 ILE 85 2HG1 ILE 85 8.511 11.846 -5.052 647 2HG1 ILE 85 1HG1 ILE 85 7.619 10.516 -4.325 648 1HG2 ILE 85 1HG2 ILE 85 10.351 11.419 -3.476 649 2HG2 ILE 85 2HG2 ILE 85 9.467 10.148 -2.635 650 3HG2 ILE 85 3HG2 ILE 85 10.091 11.530 -1.736 651 1HD1 ILE 85 1HD1 ILE 85 6.627 13.340 -4.621 652 2HD1 ILE 85 2HD1 ILE 85 5.731 11.992 -3.920 653 3HD1 ILE 85 3HD1 ILE 85 6.171 11.966 -5.628 654 H GLU 86 H GLU 86 8.144 13.509 -0.347 655 HA GLU 86 HA GLU 86 9.889 12.182 1.404 656 1HB GLU 86 2HB GLU 86 9.815 14.630 0.938 657 2HB GLU 86 1HB GLU 86 8.329 14.729 1.868 658 1HG GLU 86 2HG GLU 86 9.521 14.030 3.869 659 2HG GLU 86 1HG GLU 86 11.016 13.903 2.938 660 H THR 87 H THR 87 6.465 13.003 1.649 661 HA THR 87 HA THR 87 6.001 12.160 4.284 662 HB THR 87 HB THR 87 3.933 11.837 2.131 663 HG1 THR 87 1HG THR 87 4.216 14.378 3.219 664 1HG2 THR 87 1HG2 THR 87 3.296 11.317 4.426 665 2HG2 THR 87 2HG2 THR 87 2.469 12.775 3.878 666 3HG2 THR 87 3HG2 THR 87 3.857 12.904 4.958 667 H ALA 88 H ALA 88 6.109 10.424 1.235 668 HA ALA 88 HA ALA 88 4.991 7.993 2.268 669 1HB ALA 88 1HB ALA 88 6.534 8.479 -0.281 670 2HB ALA 88 2HB ALA 88 4.783 8.591 -0.098 671 3HB ALA 88 3HB ALA 88 5.593 7.038 0.106 672 H LEU 89 H LEU 89 8.233 9.227 1.614 673 HA LEU 89 HA LEU 89 9.670 6.879 2.163 674 1HB LEU 89 2HB LEU 89 10.561 9.708 2.744 675 2HB LEU 89 1HB LEU 89 11.594 8.311 2.515 676 HG LEU 89 HG LEU 89 9.928 9.693 0.419 677 1HD1 LEU 89 1HD1 LEU 89 11.963 10.869 0.931 678 2HD1 LEU 89 2HD1 LEU 89 12.124 10.075 -0.636 679 3HD1 LEU 89 3HD1 LEU 89 12.899 9.382 0.788 680 1HD2 LEU 89 1HD2 LEU 89 10.863 8.071 -1.159 681 2HD2 LEU 89 2HD2 LEU 89 9.840 7.300 0.052 682 3HD2 LEU 89 3HD2 LEU 89 11.596 7.196 0.186 683 H SER 90 H SER 90 8.503 9.468 4.212 684 HA SER 90 HA SER 90 9.773 8.682 6.596 685 1HB SER 90 2HB SER 90 8.734 10.939 6.107 686 2HB SER 90 1HB SER 90 7.159 10.193 6.376 687 HG SER 90 HG SER 90 8.762 11.225 8.175 688 H MET 91 H MET 91 6.705 7.809 5.118 689 HA MET 91 HA MET 91 5.644 6.407 7.341 690 1HB MET 91 2HB MET 91 4.220 7.204 5.534 691 2HB MET 91 1HB MET 91 5.051 6.163 4.387 692 1HG MET 91 2HG MET 91 4.195 4.198 5.487 693 2HG MET 91 1HG MET 91 3.450 5.187 6.742 694 1HE MET 91 1HE MET 91 1.149 3.865 6.270 695 2HE MET 91 2HE MET 91 1.964 2.941 5.009 696 3HE MET 91 3HE MET 91 0.427 3.734 4.667 697 H SER 92 H SER 92 7.908 5.570 4.866 698 HA SER 92 HA SER 92 7.750 2.733 5.362 699 1HB SER 92 2HB SER 92 8.123 3.617 3.058 700 2HB SER 92 1HB SER 92 9.644 4.321 3.600 701 HG SER 92 HG SER 92 9.127 1.813 2.794 702 H LYS 93 H LYS 93 9.764 5.539 5.974 703 HA LYS 93 HA LYS 93 11.907 4.248 7.274 704 1HB LYS 93 2HB LYS 93 12.047 6.578 6.592 705 2HB LYS 93 1HB LYS 93 10.726 7.006 7.669 706 1HG LYS 93 2HG LYS 93 12.156 6.311 9.587 707 2HG LYS 93 1HG LYS 93 13.484 6.093 8.447 708 1HD LYS 93 2HD LYS 93 11.972 8.672 8.830 709 2HD LYS 93 1HD LYS 93 13.503 8.290 9.618 710 1HE LYS 93 2HE LYS 93 14.591 8.095 7.448 711 2HE LYS 93 1HE LYS 93 13.059 8.416 6.633 712 1HZ LYS 93 1HZ LYS 93 14.343 10.321 8.514 713 2HZ LYS 93 2HZ LYS 93 13.033 10.620 7.473 714 3HZ LYS 93 3HZ LYS 93 14.584 10.362 6.832 715 H ILE 94 H ILE 94 8.908 5.690 8.535 716 HA ILE 94 HA ILE 94 9.450 4.903 11.223 717 HB ILE 94 HB ILE 94 7.973 6.846 10.573 718 1HG1 ILE 94 2HG1 ILE 94 6.753 4.786 12.424 719 2HG1 ILE 94 1HG1 ILE 94 8.026 5.920 12.858 720 1HG2 ILE 94 1HG2 ILE 94 6.678 5.782 8.821 721 2HG2 ILE 94 2HG2 ILE 94 5.612 6.379 10.091 722 3HG2 ILE 94 3HG2 ILE 94 5.983 4.657 9.989 723 1HD1 ILE 94 1HD1 ILE 94 6.493 7.779 12.439 724 2HD1 ILE 94 2HD1 ILE 94 5.892 6.681 13.682 725 3HD1 ILE 94 3HD1 ILE 94 5.218 6.627 12.052 726 H PHE 95 H PHE 95 7.984 3.379 8.449 727 HA PHE 95 HA PHE 95 6.457 1.417 9.755 728 1HB PHE 95 2HB PHE 95 6.519 1.809 7.271 729 2HB PHE 95 1HB PHE 95 8.067 0.968 7.232 730 HD1 PHE 95 1HD PHE 95 4.461 0.619 7.722 731 HD2 PHE 95 2HD PHE 95 8.189 -1.420 7.514 732 HE1 PHE 95 1HE PHE 95 3.272 -1.526 7.527 733 HE2 PHE 95 2HE PHE 95 7.010 -3.570 7.319 734 HZ PHE 95 HZ PHE 95 4.546 -3.625 7.324 735 H SER 96 H SER 96 9.919 1.411 8.913 736 HA SER 96 HA SER 96 10.300 -1.127 10.257 737 1HB SER 96 2HB SER 96 12.780 -0.508 9.669 738 2HB SER 96 1HB SER 96 11.667 -0.993 8.389 739 HG SER 96 HG SER 96 12.844 1.464 8.895 740 H ASP 97 H ASP 97 10.678 2.243 10.924 741 HA ASP 97 HA ASP 97 12.514 2.030 13.084 742 1HB ASP 97 2HB ASP 97 12.189 4.097 11.788 743 2HB ASP 97 1HB ASP 97 10.550 4.232 12.414 744 H MET 98 H MET 98 9.164 1.433 12.817 745 HA MET 98 HA MET 98 8.041 2.263 15.169 746 1HB MET 98 2HB MET 98 6.428 0.446 14.933 747 2HB MET 98 1HB MET 98 6.770 1.199 13.382 748 1HG MET 98 2HG MET 98 8.101 -0.633 12.683 749 2HG MET 98 1HG MET 98 8.113 -1.326 14.303 750 1HE MET 98 1HE MET 98 5.212 -1.179 15.323 751 2HE MET 98 2HE MET 98 6.155 -2.670 15.372 752 3HE MET 98 3HE MET 98 4.514 -2.683 14.726 753 H MET 99 H MET 99 10.255 -0.403 14.775 754 HA MET 99 HA MET 99 9.527 -1.947 16.996 755 1HB MET 99 2HB MET 99 12.247 -1.688 15.704 756 2HB MET 99 1HB MET 99 11.757 -2.972 16.801 757 1HG MET 99 2HG MET 99 10.578 -2.401 14.093 758 2HG MET 99 1HG MET 99 11.684 -3.713 14.494 759 1HE MET 99 1HE MET 99 8.856 -4.038 13.010 760 2HE MET 99 2HE MET 99 8.215 -5.474 13.808 761 3HE MET 99 3HE MET 99 9.916 -5.410 13.348 762 H GLN 100 H GLN 100 11.925 0.662 16.703 763 HA GLN 100 HA GLN 100 12.108 0.648 19.638 764 1HB GLN 100 2HB GLN 100 14.070 1.703 17.601 765 2HB GLN 100 1HB GLN 100 14.229 1.931 19.336 766 1HG GLN 100 2HG GLN 100 14.086 -0.768 18.023 767 2HG GLN 100 1HG GLN 100 15.594 0.082 18.336 768 1HE2 GLN 100 1HE2 GLN 100 12.820 0.095 20.514 769 2HE2 GLN 100 2HE2 GLN 100 13.581 -0.807 21.776 770 H GLY 101 H GLY 101 10.726 2.242 17.078 771 1HA GLY 101 2HA GLY 101 10.707 4.915 17.941 772 2HA GLY 101 1HA GLY 101 9.427 4.132 17.015 773 H LYS 102 H LYS 102 8.900 2.087 18.931 774 HA LYS 102 HA LYS 102 7.996 1.568 20.957 775 1HB LYS 102 2HB LYS 102 9.837 3.051 21.847 776 2HB LYS 102 1HB LYS 102 8.673 4.367 21.861 777 1HG LYS 102 2HG LYS 102 8.721 3.563 24.051 778 2HG LYS 102 1HG LYS 102 7.249 2.883 23.352 779 1HD LYS 102 2HD LYS 102 8.309 0.761 23.026 780 2HD LYS 102 1HD LYS 102 9.881 1.419 23.486 781 1HE LYS 102 2HE LYS 102 8.944 1.912 25.736 782 2HE LYS 102 1HE LYS 102 7.465 1.086 25.254 783 1HZ LYS 102 1HZ LYS 102 10.160 -0.163 25.334 784 2HZ LYS 102 2HZ LYS 102 8.699 -0.945 24.969 785 3HZ LYS 102 3HZ LYS 102 8.965 -0.337 26.529 786 H GLU 103 H GLU 103 7.257 5.029 20.647 787 HA GLU 103 HA GLU 103 4.391 4.336 20.643 788 1HB GLU 103 2HB GLU 103 5.713 6.756 21.892 789 2HB GLU 103 1HB GLU 103 3.986 6.430 21.869 790 1HG GLU 103 2HG GLU 103 4.260 4.529 23.293 791 2HG GLU 103 1HG GLU 103 6.016 4.641 23.182 792 H TYR 104 H TYR 104 3.369 4.992 18.828 793 HA TYR 104 HA TYR 104 3.988 7.340 17.410 794 1HB TYR 104 2HB TYR 104 5.023 6.437 15.473 795 2HB TYR 104 1HB TYR 104 5.912 5.725 16.816 796 HD1 TYR 104 1HD TYR 104 4.078 5.074 13.841 797 HD2 TYR 104 2HD TYR 104 5.179 3.352 17.576 798 HE1 TYR 104 1HE TYR 104 3.555 2.843 12.959 799 HE2 TYR 104 2HE TYR 104 4.659 1.114 16.697 800 HH TYR 104 HH TYR 104 4.179 0.490 13.413 801 H ASP 105 H ASP 105 2.692 7.381 15.429 802 HA ASP 105 HA ASP 105 0.543 5.415 15.311 803 1HB ASP 105 2HB ASP 105 0.257 8.421 15.287 804 2HB ASP 105 1HB ASP 105 -0.991 7.350 14.662 805 H ASP 106 H ASP 106 0.627 4.510 13.412 806 HA ASP 106 HA ASP 106 2.063 5.175 11.187 807 1HB ASP 106 2HB ASP 106 1.148 2.992 11.252 808 2HB ASP 106 1HB ASP 106 -0.490 3.595 11.474 809 H SER 107 H SER 107 2.005 7.223 10.625 810 HA SER 107 HA SER 107 1.365 9.111 9.533 811 1HB SER 107 2HB SER 107 -0.958 7.432 8.543 812 2HB SER 107 1HB SER 107 -0.362 8.927 7.820 813 HG SER 107 HG SER 107 0.955 6.410 7.971 814 H ILE 108 H ILE 108 0.336 8.349 12.249 815 HA ILE 108 HA ILE 108 -0.880 9.367 13.880 816 HB ILE 108 HB ILE 108 -1.981 11.176 11.718 817 1HG1 ILE 108 2HG1 ILE 108 0.442 11.396 11.894 818 2HG1 ILE 108 1HG1 ILE 108 -0.336 12.821 12.574 819 1HG2 ILE 108 1HG2 ILE 108 -2.017 11.487 14.717 820 2HG2 ILE 108 2HG2 ILE 108 -3.409 11.132 13.695 821 3HG2 ILE 108 3HG2 ILE 108 -2.580 12.682 13.550 822 1HD1 ILE 108 1HD1 ILE 108 0.821 10.520 14.139 823 2HD1 ILE 108 2HD1 ILE 108 0.034 11.942 14.825 824 3HD1 ILE 108 3HD1 ILE 108 1.545 12.116 13.934 825 H ASP 109 H ASP 109 -2.204 7.876 11.170 826 HA ASP 109 HA ASP 109 -4.615 7.153 12.623 827 1HB ASP 109 2HB ASP 109 -5.259 9.100 11.197 828 2HB ASP 109 1HB ASP 109 -4.762 8.178 9.780 829 H LEU 110 H LEU 110 -4.447 5.031 12.679 830 HA LEU 110 HA LEU 110 -2.591 3.787 10.825 831 1HB LEU 110 2HB LEU 110 -3.820 2.527 13.260 832 2HB LEU 110 1HB LEU 110 -2.304 2.122 12.472 833 HG LEU 110 HG LEU 110 -1.815 4.694 13.165 834 1HD1 LEU 110 1HD1 LEU 110 -2.591 5.050 15.448 835 2HD1 LEU 110 2HD1 LEU 110 -3.557 3.578 15.355 836 3HD1 LEU 110 3HD1 LEU 110 -3.942 4.952 14.318 837 1HD2 LEU 110 1HD2 LEU 110 -0.523 3.797 15.019 838 2HD2 LEU 110 2HD2 LEU 110 -0.358 2.808 13.567 839 3HD2 LEU 110 3HD2 LEU 110 -1.396 2.270 14.888 840 H GLY 111 H GLY 111 -5.183 4.381 9.824 841 1HA GLY 111 2HA GLY 111 -6.845 2.067 9.822 842 2HA GLY 111 1HA GLY 111 -6.939 3.411 8.692 843 H ASP 112 H ASP 112 -4.048 2.990 7.974 844 HA ASP 112 HA ASP 112 -4.615 1.221 5.772 845 1HB ASP 112 2HB ASP 112 -2.154 2.825 6.489 846 2HB ASP 112 1HB ASP 112 -2.290 1.844 5.035 847 H ILE 113 H ILE 113 -2.300 1.247 8.467 848 HA ILE 113 HA ILE 113 -0.986 -1.117 7.737 849 HB ILE 113 HB ILE 113 -0.032 0.525 9.315 850 1HG1 ILE 113 2HG1 ILE 113 -0.302 -2.248 10.498 851 2HG1 ILE 113 1HG1 ILE 113 0.815 -1.805 9.212 852 1HG2 ILE 113 1HG2 ILE 113 -2.081 -0.569 11.235 853 2HG2 ILE 113 2HG2 ILE 113 -1.990 1.078 10.607 854 3HG2 ILE 113 3HG2 ILE 113 -0.727 0.471 11.680 855 1HD1 ILE 113 1HD1 ILE 113 0.838 -0.691 12.009 856 2HD1 ILE 113 2HD1 ILE 113 1.976 -0.297 10.720 857 3HD1 ILE 113 3HD1 ILE 113 1.921 -1.931 11.380 858 H GLU 114 H GLU 114 -3.925 -0.566 9.572 859 HA GLU 114 HA GLU 114 -4.092 -3.134 10.735 860 1HB GLU 114 2HB GLU 114 -6.235 -1.110 10.087 861 2HB GLU 114 1HB GLU 114 -6.543 -2.602 10.964 862 1HG GLU 114 2HG GLU 114 -4.706 -0.379 11.824 863 2HG GLU 114 1HG GLU 114 -6.295 -0.740 12.492 864 H ALA 115 H ALA 115 -4.926 -1.911 7.565 865 HA ALA 115 HA ALA 115 -6.459 -4.131 6.711 866 1HB ALA 115 1HB ALA 115 -6.433 -1.964 5.527 867 2HB ALA 115 2HB ALA 115 -6.072 -3.320 4.459 868 3HB ALA 115 3HB ALA 115 -4.769 -2.277 5.029 869 H LEU 116 H LEU 116 -3.010 -3.542 6.980 870 HA LEU 116 HA LEU 116 -2.413 -6.002 5.489 871 1HB LEU 116 2HB LEU 116 -0.597 -3.918 6.703 872 2HB LEU 116 1HB LEU 116 -0.032 -5.352 5.873 873 HG LEU 116 HG LEU 116 -1.640 -3.122 4.617 874 1HD1 LEU 116 1HD1 LEU 116 1.263 -3.884 4.316 875 2HD1 LEU 116 2HD1 LEU 116 0.653 -2.478 5.190 876 3HD1 LEU 116 3HD1 LEU 116 0.426 -2.598 3.444 877 1HD2 LEU 116 1HD2 LEU 116 -2.085 -5.300 3.583 878 2HD2 LEU 116 2HD2 LEU 116 -0.352 -5.552 3.373 879 3HD2 LEU 116 3HD2 LEU 116 -1.165 -4.248 2.509 880 H GLN 117 H GLN 117 -2.984 -4.965 8.608 881 HA GLN 117 HA GLN 117 -1.134 -6.110 10.252 882 1HB GLN 117 2HB GLN 117 -3.279 -4.699 10.729 883 2HB GLN 117 1HB GLN 117 -4.030 -6.269 10.980 884 1HG GLN 117 2HG GLN 117 -3.272 -5.269 13.072 885 2HG GLN 117 1HG GLN 117 -2.435 -6.784 12.727 886 1HE2 GLN 117 1HE2 GLN 117 -2.169 -3.300 12.766 887 2HE2 GLN 117 2HE2 GLN 117 -0.433 -3.252 12.779 888 H GLY 118 H GLY 118 -3.960 -7.740 8.849 889 1HA GLY 118 2HA GLY 118 -3.503 -10.138 10.376 890 2HA GLY 118 1HA GLY 118 -4.701 -9.921 9.114 891 H VAL 119 H VAL 119 -2.732 -9.082 7.118 892 HA VAL 119 HA VAL 119 -1.945 -11.761 6.328 893 HB VAL 119 HB VAL 119 -1.422 -10.766 4.134 894 1HG1 VAL 119 1HG1 VAL 119 -3.661 -11.606 4.572 895 2HG1 VAL 119 2HG1 VAL 119 -3.726 -10.197 3.516 896 3HG1 VAL 119 3HG1 VAL 119 -4.142 -10.040 5.223 897 1HG2 VAL 119 1HG2 VAL 119 -0.725 -8.545 4.859 898 2HG2 VAL 119 2HG2 VAL 119 -2.370 -8.184 5.382 899 3HG2 VAL 119 3HG2 VAL 119 -2.024 -8.436 3.671 900 H SER 120 H SER 120 -0.497 -9.156 7.842 901 HA SER 120 HA SER 120 1.809 -8.607 6.488 902 1HB SER 120 2HB SER 120 0.913 -7.284 8.351 903 2HB SER 120 1HB SER 120 1.431 -8.534 9.482 904 HG SER 120 HG SER 120 3.572 -8.047 8.186 905 H LYS 121 H LYS 121 1.324 -11.661 8.057 906 HA LYS 121 HA LYS 121 4.047 -12.384 7.848 907 1HB LYS 121 2HB LYS 121 4.077 -10.700 9.769 908 2HB LYS 121 1HB LYS 121 3.206 -11.907 10.705 909 1HG LYS 121 2HG LYS 121 5.032 -13.415 10.625 910 2HG LYS 121 1HG LYS 121 5.864 -12.451 9.405 911 1HD LYS 121 2HD LYS 121 6.184 -10.657 11.004 912 2HD LYS 121 1HD LYS 121 5.273 -11.552 12.224 913 1HE LYS 121 2HE LYS 121 7.725 -11.713 12.524 914 2HE LYS 121 1HE LYS 121 6.950 -13.276 12.281 915 1HZ LYS 121 1HZ LYS 121 7.696 -13.319 10.023 916 2HZ LYS 121 2HZ LYS 121 9.034 -12.992 11.013 917 3HZ LYS 121 3HZ LYS 121 8.307 -11.740 10.128 918 H PHE 122 H PHE 122 1.275 -13.324 7.478 919 HA PHE 122 HA PHE 122 1.311 -15.787 9.036 920 1HB PHE 122 2HB PHE 122 -0.709 -14.278 7.569 921 2HB PHE 122 1HB PHE 122 -0.729 -15.990 7.160 922 HD1 PHE 122 1HD PHE 122 -1.618 -17.575 8.619 923 HD2 PHE 122 2HD PHE 122 -0.957 -13.598 9.966 924 HE1 PHE 122 1HE PHE 122 -2.898 -18.062 10.658 925 HE2 PHE 122 2HE PHE 122 -2.237 -14.072 12.010 926 HZ PHE 122 HZ PHE 122 -3.211 -16.308 12.360 927 HA PRO 123 HA PRO 123 3.754 -18.094 6.201 928 1HB PRO 123 2HB PRO 123 1.526 -20.076 6.485 929 2HB PRO 123 1HB PRO 123 3.273 -20.334 6.567 930 1HG PRO 123 2HG PRO 123 1.818 -20.217 8.787 931 2HG PRO 123 1HG PRO 123 3.430 -19.484 8.719 932 1HD PRO 123 2HD PRO 123 0.762 -18.184 8.741 933 2HD PRO 123 1HD PRO 123 2.323 -17.578 9.330 934 H ALA 124 H ALA 124 0.260 -17.905 5.623 935 HA ALA 124 HA ALA 124 0.795 -18.209 2.747 936 1HB ALA 124 1HB ALA 124 -1.813 -18.626 4.194 937 2HB ALA 124 2HB ALA 124 -0.689 -19.905 3.733 938 3HB ALA 124 3HB ALA 124 -1.488 -18.942 2.490 939 H ARG 125 H ARG 125 0.491 -15.647 4.792 940 HA ARG 125 HA ARG 125 -1.222 -14.208 2.854 941 1HB ARG 125 2HB ARG 125 -0.921 -13.560 5.789 942 2HB ARG 125 1HB ARG 125 -2.015 -12.799 4.646 943 1HG ARG 125 2HG ARG 125 -3.260 -14.897 4.444 944 2HG ARG 125 1HG ARG 125 -2.161 -15.653 5.602 945 1HD ARG 125 2HD ARG 125 -2.808 -13.836 7.222 946 2HD ARG 125 1HD ARG 125 -4.064 -13.370 6.081 947 HE ARG 125 HE ARG 125 -4.192 -16.153 6.760 948 1HH1 ARG 125 1HH1 ARG 125 -5.039 -12.929 7.818 949 2HH1 ARG 125 2HH1 ARG 125 -6.373 -13.456 8.798 950 1HH2 ARG 125 1HH2 ARG 125 -5.916 -16.859 8.125 951 2HH2 ARG 125 2HH2 ARG 125 -6.837 -15.673 9.002 952 H ILE 126 H ILE 126 1.846 -14.597 3.954 953 HA ILE 126 HA ILE 126 2.508 -11.865 4.565 954 HB ILE 126 HB ILE 126 3.591 -13.676 5.795 955 1HG1 ILE 126 2HG1 ILE 126 5.573 -12.157 4.086 956 2HG1 ILE 126 1HG1 ILE 126 4.757 -11.510 5.505 957 1HG2 ILE 126 1HG2 ILE 126 5.298 -15.085 4.708 958 2HG2 ILE 126 2HG2 ILE 126 4.814 -14.426 3.145 959 3HG2 ILE 126 3HG2 ILE 126 3.672 -15.380 4.092 960 1HD1 ILE 126 1HD1 ILE 126 5.850 -13.204 6.891 961 2HD1 ILE 126 2HD1 ILE 126 7.016 -12.189 6.041 962 3HD1 ILE 126 3HD1 ILE 126 6.683 -13.821 5.465 963 H LYS 127 H LYS 127 2.761 -14.016 1.855 964 HA LYS 127 HA LYS 127 4.521 -12.324 0.355 965 1HB LYS 127 2HB LYS 127 2.974 -14.797 -0.197 966 2HB LYS 127 1HB LYS 127 3.379 -13.791 -1.580 967 1HG LYS 127 2HG LYS 127 5.082 -15.399 -1.412 968 2HG LYS 127 1HG LYS 127 5.774 -13.895 -0.807 969 1HD LYS 127 2HD LYS 127 5.409 -14.647 1.490 970 2HD LYS 127 1HD LYS 127 4.691 -16.145 0.891 971 1HE LYS 127 2HE LYS 127 6.836 -16.646 -0.264 972 2HE LYS 127 1HE LYS 127 7.531 -15.212 0.488 973 1HZ LYS 127 1HZ LYS 127 6.393 -17.506 1.992 974 2HZ LYS 127 2HZ LYS 127 7.222 -16.177 2.645 975 3HZ LYS 127 3HZ LYS 127 8.045 -17.295 1.671 976 H CYS 128 H CYS 128 1.130 -12.447 0.961 977 HA CYS 128 HA CYS 128 0.505 -10.583 -1.172 978 1HB CYS 128 2HB CYS 128 -1.158 -11.823 1.019 979 2HB CYS 128 1HB CYS 128 -1.785 -10.561 -0.036 980 HG CYS 128 HG CYS 128 -0.700 -12.479 -2.222 981 H ALA 129 H ALA 129 1.401 -10.567 2.149 982 HA ALA 129 HA ALA 129 0.629 -7.879 2.720 983 1HB ALA 129 1HB ALA 129 2.767 -9.574 4.011 984 2HB ALA 129 2HB ALA 129 1.072 -9.512 4.498 985 3HB ALA 129 3HB ALA 129 2.090 -8.081 4.659 986 H THR 130 H THR 130 3.675 -9.458 1.791 987 HA THR 130 HA THR 130 5.143 -7.065 1.492 988 HB THR 130 HB THR 130 6.653 -8.476 0.023 989 HG1 THR 130 1HG THR 130 6.072 -10.468 -0.476 990 1HG2 THR 130 1HG2 THR 130 7.027 -8.220 2.429 991 2HG2 THR 130 2HG2 THR 130 7.466 -9.838 1.884 992 3HG2 THR 130 3HG2 THR 130 5.948 -9.579 2.746 993 H LEU 131 H LEU 131 3.009 -8.863 -0.610 994 HA LEU 131 HA LEU 131 3.410 -7.688 -3.053 995 1HB LEU 131 2HB LEU 131 1.796 -9.437 -2.771 996 2HB LEU 131 1HB LEU 131 0.846 -8.466 -1.669 997 HG LEU 131 HG LEU 131 1.171 -7.443 -4.449 998 1HD1 LEU 131 1HD1 LEU 131 0.726 -9.806 -4.819 999 2HD1 LEU 131 2HD1 LEU 131 -0.696 -8.841 -5.215 1000 3HD1 LEU 131 3HD1 LEU 131 -0.633 -9.739 -3.699 1001 1HD2 LEU 131 1HD2 LEU 131 -0.094 -6.172 -2.782 1002 2HD2 LEU 131 2HD2 LEU 131 -1.143 -7.564 -2.513 1003 3HD2 LEU 131 3HD2 LEU 131 -1.148 -6.746 -4.075 1004 H SER 132 H SER 132 1.359 -6.432 -0.424 1005 HA SER 132 HA SER 132 0.681 -4.074 -1.866 1006 1HB SER 132 2HB SER 132 0.419 -4.607 1.101 1007 2HB SER 132 1HB SER 132 -0.426 -3.363 0.181 1008 HG SER 132 HG SER 132 -0.695 -6.178 -0.095 1009 H TRP 133 H TRP 133 2.893 -4.679 0.880 1010 HA TRP 133 HA TRP 133 3.570 -1.945 1.197 1011 1HB TRP 133 2HB TRP 133 3.789 -3.727 2.961 1012 2HB TRP 133 1HB TRP 133 5.208 -4.317 2.102 1013 HD1 TRP 133 HD TRP 133 3.990 -1.078 3.838 1014 HE1 TRP 133 1HE TRP 133 6.040 0.136 4.800 1015 HE3 TRP 133 3HE TRP 133 7.666 -4.172 2.091 1016 HZ2 TRP 133 2HZ TRP 133 8.844 -0.180 4.833 1017 HZ3 TRP 133 3HZ TRP 133 10.005 -3.644 2.639 1018 HH2 TRP 133 HH TRP 133 10.581 -1.692 3.979 1019 H LYS 134 H LYS 134 5.160 -4.617 -0.512 1020 HA LYS 134 HA LYS 134 7.446 -3.053 -1.232 1021 1HB LYS 134 2HB LYS 134 6.428 -5.696 -2.283 1022 2HB LYS 134 1HB LYS 134 7.932 -4.949 -2.803 1023 1HG LYS 134 2HG LYS 134 7.330 -5.637 0.063 1024 2HG LYS 134 1HG LYS 134 8.165 -6.722 -1.051 1025 1HD LYS 134 2HD LYS 134 9.934 -5.095 -1.356 1026 2HD LYS 134 1HD LYS 134 9.077 -3.934 -0.342 1027 1HE LYS 134 2HE LYS 134 9.358 -5.317 1.591 1028 2HE LYS 134 1HE LYS 134 10.001 -6.637 0.616 1029 1HZ LYS 134 1HZ LYS 134 11.962 -5.423 0.181 1030 2HZ LYS 134 2HZ LYS 134 11.687 -5.281 1.852 1031 3HZ LYS 134 3HZ LYS 134 11.322 -3.987 0.818 1032 H ALA 135 H ALA 135 4.267 -3.295 -2.440 1033 HA ALA 135 HA ALA 135 4.999 -2.337 -5.083 1034 1HB ALA 135 1HB ALA 135 3.093 -3.870 -4.846 1035 2HB ALA 135 2HB ALA 135 2.620 -2.327 -5.557 1036 3HB ALA 135 3HB ALA 135 2.260 -2.665 -3.863 1037 H LEU 136 H LEU 136 3.486 -1.157 -2.110 1038 HA LEU 136 HA LEU 136 2.933 1.424 -3.304 1039 1HB LEU 136 2HB LEU 136 1.691 -0.023 -1.394 1040 2HB LEU 136 1HB LEU 136 2.662 1.032 -0.387 1041 HG LEU 136 HG LEU 136 1.650 2.964 -1.753 1042 1HD1 LEU 136 1HD1 LEU 136 -0.532 2.502 -2.740 1043 2HD1 LEU 136 2HD1 LEU 136 -0.331 0.783 -2.401 1044 3HD1 LEU 136 3HD1 LEU 136 0.736 1.584 -3.554 1045 1HD2 LEU 136 1HD2 LEU 136 -0.340 3.013 -0.332 1046 2HD2 LEU 136 2HD2 LEU 136 1.092 2.525 0.575 1047 3HD2 LEU 136 3HD2 LEU 136 -0.090 1.317 0.074 1048 H GLU 137 H GLU 137 4.714 0.354 -0.407 1049 HA GLU 137 HA GLU 137 5.863 2.971 -0.080 1050 1HB GLU 137 2HB GLU 137 6.090 0.375 1.398 1051 2HB GLU 137 1HB GLU 137 7.231 1.670 1.728 1052 1HG GLU 137 2HG GLU 137 5.364 1.651 3.308 1053 2HG GLU 137 1HG GLU 137 5.432 3.147 2.377 1054 H LYS 138 H LYS 138 6.898 -0.063 -1.446 1055 HA LYS 138 HA LYS 138 9.654 0.839 -1.676 1056 1HB LYS 138 2HB LYS 138 9.082 -1.556 -1.279 1057 2HB LYS 138 1HB LYS 138 8.332 -1.610 -2.866 1058 1HG LYS 138 2HG LYS 138 10.584 -0.943 -3.807 1059 2HG LYS 138 1HG LYS 138 11.241 -1.267 -2.202 1060 1HD LYS 138 2HD LYS 138 10.325 -3.563 -2.337 1061 2HD LYS 138 1HD LYS 138 9.787 -3.222 -3.983 1062 1HE LYS 138 2HE LYS 138 12.627 -3.256 -2.972 1063 2HE LYS 138 1HE LYS 138 11.877 -4.423 -4.058 1064 1HZ LYS 138 1HZ LYS 138 11.564 -2.561 -5.656 1065 2HZ LYS 138 2HZ LYS 138 13.190 -2.936 -5.344 1066 3HZ LYS 138 3HZ LYS 138 12.485 -1.574 -4.629 1067 H GLY 139 H GLY 139 6.848 1.519 -3.218 1068 1HA GLY 139 2HA GLY 139 7.668 1.399 -5.959 1069 2HA GLY 139 1HA GLY 139 6.253 2.232 -5.326 1070 H VAL 140 H VAL 140 7.212 4.051 -3.645 1071 HA VAL 140 HA VAL 140 8.487 5.944 -5.371 1072 HB VAL 140 HB VAL 140 8.433 7.435 -3.313 1073 1HG1 VAL 140 1HG1 VAL 140 5.844 6.198 -4.253 1074 2HG1 VAL 140 2HG1 VAL 140 6.705 7.531 -5.023 1075 3HG1 VAL 140 3HG1 VAL 140 5.997 7.746 -3.423 1076 1HG2 VAL 140 1HG2 VAL 140 7.011 6.721 -1.452 1077 2HG2 VAL 140 2HG2 VAL 140 8.427 5.683 -1.602 1078 3HG2 VAL 140 3HG2 VAL 140 6.858 5.119 -2.176 1079 H ALA 141 H ALA 141 9.388 4.504 -2.245 1080 HA ALA 141 HA ALA 141 11.973 3.782 -2.738 1081 1HB ALA 141 1HB ALA 141 11.929 6.621 -1.693 1082 2HB ALA 141 2HB ALA 141 12.483 6.125 -3.293 1083 3HB ALA 141 3HB ALA 141 13.356 5.599 -1.853 1084 H LYS 142 H LYS 142 13.095 3.183 -0.772 1085 HA LYS 142 HA LYS 142 11.150 2.818 1.388 1086 1HB LYS 142 2HB LYS 142 12.580 1.001 2.152 1087 2HB LYS 142 1HB LYS 142 12.203 0.802 0.446 1088 1HG LYS 142 2HG LYS 142 14.389 1.575 -0.185 1089 2HG LYS 142 1HG LYS 142 14.769 1.986 1.488 1090 1HD LYS 142 2HD LYS 142 14.413 -0.456 2.032 1091 2HD LYS 142 1HD LYS 142 14.378 -0.746 0.292 1092 1HE LYS 142 2HE LYS 142 16.650 0.570 1.768 1093 2HE LYS 142 1HE LYS 142 16.601 -1.133 1.325 1094 1HZ LYS 142 1HZ LYS 142 16.468 -0.455 -1.010 1095 2HZ LYS 142 2HZ LYS 142 17.881 0.101 -0.261 1096 3HZ LYS 142 3HZ LYS 142 16.603 1.174 -0.551 1097 H GLU 143 H GLU 143 11.283 3.926 3.228 1098 HA GLU 143 HA GLU 143 12.119 4.889 5.103 1099 1HB GLU 143 2HB GLU 143 13.684 2.964 5.095 1100 2HB GLU 143 1HB GLU 143 14.813 3.909 4.138 1101 1HG GLU 143 2HG GLU 143 14.957 5.541 5.985 1102 2HG GLU 143 1HG GLU 143 13.908 4.498 6.946 1103 H GLU 144 H GLU 144 14.933 5.423 3.019 1104 HA GLU 144 HA GLU 144 14.226 8.009 2.166 1105 1HB GLU 144 2HB GLU 144 14.727 8.379 4.669 1106 2HB GLU 144 1HB GLU 144 16.406 8.060 4.249 1107 1HG GLU 144 2HG GLU 144 16.324 9.915 2.631 1108 2HG GLU 144 1HG GLU 144 14.671 10.255 3.142 1109 H GLY 145 H GLY 145 14.982 7.352 0.213 1110 1HA GLY 145 2HA GLY 145 17.703 6.264 0.084 1111 2HA GLY 145 1HA GLY 145 16.475 6.095 -1.161 1112 H GLY 146 H GLY 146 15.804 8.179 -2.223 1113 1HA GLY 146 2HA GLY 146 16.340 10.223 -3.203 1114 2HA GLY 146 1HA GLY 146 17.831 10.252 -2.271 1115 H ASN 147 H ASN 147 16.251 8.740 -5.046 1116 HA ASN 147 HA ASN 147 18.783 8.739 -6.463 1117 1HB ASN 147 2HB ASN 147 18.538 6.352 -7.159 1118 2HB ASN 147 1HB ASN 147 18.920 6.564 -5.459 1119 1HD2 ASN 147 1HD2 ASN 147 15.727 6.850 -7.012 1120 2HD2 ASN 147 2HD2 ASN 147 15.021 5.517 -6.161 Start of MODEL 10 1 1H MET 1 1HT MET 1 -4.509 -24.310 13.246 2 2H MET 1 2HT MET 1 -4.755 -23.185 12.001 3 3H MET 1 3HT MET 1 -5.495 -22.955 13.509 4 HA MET 1 HA MET 1 -3.315 -22.732 14.547 5 1HB MET 1 2HB MET 1 -2.403 -22.921 11.672 6 2HB MET 1 1HB MET 1 -1.399 -22.255 12.954 7 1HG MET 1 2HG MET 1 -1.443 -24.379 14.122 8 2HG MET 1 1HG MET 1 -2.519 -25.048 12.897 9 1HE MET 1 1HE MET 1 0.243 -26.392 13.834 10 2HE MET 1 2HE MET 1 0.883 -26.920 12.276 11 3HE MET 1 3HE MET 1 -0.835 -27.105 12.630 12 H SER 2 H SER 2 -4.723 -21.310 11.642 13 HA SER 2 HA SER 2 -3.666 -18.697 12.142 14 1HB SER 2 2HB SER 2 -5.991 -19.445 10.362 15 2HB SER 2 1HB SER 2 -4.992 -17.996 10.262 16 HG SER 2 HG SER 2 -4.594 -20.392 9.137 17 H PHE 3 H PHE 3 -4.305 -17.611 13.901 18 HA PHE 3 HA PHE 3 -7.116 -17.685 14.687 19 1HB PHE 3 2HB PHE 3 -6.394 -16.441 16.688 20 2HB PHE 3 1HB PHE 3 -5.480 -17.929 16.493 21 HD1 PHE 3 1HD PHE 3 -5.330 -14.368 16.824 22 HD2 PHE 3 2HD PHE 3 -3.133 -17.788 15.562 23 HE1 PHE 3 1HE PHE 3 -3.241 -13.083 16.993 24 HE2 PHE 3 2HE PHE 3 -1.039 -16.506 15.727 25 HZ PHE 3 HZ PHE 3 -1.089 -14.152 16.443 26 H ASN 4 H ASN 4 -8.498 -16.115 14.169 27 HA ASN 4 HA ASN 4 -7.545 -13.458 13.511 28 1HB ASN 4 2HB ASN 4 -7.221 -14.510 11.379 29 2HB ASN 4 1HB ASN 4 -8.810 -15.259 11.444 30 1HD2 ASN 4 1HD2 ASN 4 -9.360 -14.353 9.471 31 2HD2 ASN 4 2HD2 ASN 4 -9.790 -12.687 9.325 32 H ALA 5 H ALA 5 -8.851 -12.200 14.590 33 HA ALA 5 HA ALA 5 -11.743 -12.501 14.176 34 1HB ALA 5 1HB ALA 5 -11.241 -13.458 16.381 35 2HB ALA 5 2HB ALA 5 -12.199 -11.983 16.515 36 3HB ALA 5 3HB ALA 5 -10.469 -11.945 16.858 37 H ASN 6 H ASN 6 -9.311 -10.749 13.386 38 HA ASN 6 HA ASN 6 -10.479 -8.147 14.152 39 1HB ASN 6 2HB ASN 6 -7.608 -8.808 13.450 40 2HB ASN 6 1HB ASN 6 -8.218 -7.188 13.752 41 1HD2 ASN 6 1HD2 ASN 6 -9.989 -8.081 15.903 42 2HD2 ASN 6 2HD2 ASN 6 -8.961 -8.403 17.256 43 H LEU 7 H LEU 7 -9.478 -10.174 11.522 44 HA LEU 7 HA LEU 7 -9.287 -7.966 9.652 45 1HB LEU 7 2HB LEU 7 -8.937 -10.936 9.272 46 2HB LEU 7 1HB LEU 7 -8.738 -9.748 7.999 47 HG LEU 7 HG LEU 7 -7.069 -9.918 10.508 48 1HD1 LEU 7 1HD1 LEU 7 -6.430 -10.625 7.650 49 2HD1 LEU 7 2HD1 LEU 7 -6.633 -11.758 8.985 50 3HD1 LEU 7 3HD1 LEU 7 -5.284 -10.622 8.991 51 1HD2 LEU 7 1HD2 LEU 7 -6.836 -8.127 8.093 52 2HD2 LEU 7 2HD2 LEU 7 -5.666 -8.234 9.408 53 3HD2 LEU 7 3HD2 LEU 7 -7.293 -7.628 9.722 54 H ASP 8 H ASP 8 -11.434 -10.653 10.351 55 HA ASP 8 HA ASP 8 -12.949 -10.764 8.054 56 1HB ASP 8 2HB ASP 8 -13.970 -11.049 10.888 57 2HB ASP 8 1HB ASP 8 -14.767 -11.652 9.439 58 H THR 9 H THR 9 -13.404 -8.659 10.855 59 HA THR 9 HA THR 9 -15.701 -7.357 9.727 60 HB THR 9 HB THR 9 -15.080 -5.701 11.691 61 HG1 THR 9 1HG THR 9 -14.013 -7.822 13.034 62 1HG2 THR 9 1HG2 THR 9 -16.068 -8.523 12.125 63 2HG2 THR 9 2HG2 THR 9 -17.049 -7.125 11.685 64 3HG2 THR 9 3HG2 THR 9 -16.266 -7.192 13.265 65 H LEU 10 H LEU 10 -12.290 -6.913 9.560 66 HA LEU 10 HA LEU 10 -12.370 -4.086 9.051 67 1HB LEU 10 2HB LEU 10 -10.481 -5.337 10.174 68 2HB LEU 10 1HB LEU 10 -10.081 -6.007 8.608 69 HG LEU 10 HG LEU 10 -8.681 -4.048 9.396 70 1HD1 LEU 10 1HD1 LEU 10 -8.668 -4.748 7.075 71 2HD1 LEU 10 2HD1 LEU 10 -8.593 -2.989 7.190 72 3HD1 LEU 10 3HD1 LEU 10 -10.108 -3.780 6.756 73 1HD2 LEU 10 1HD2 LEU 10 -9.599 -1.815 9.098 74 2HD2 LEU 10 2HD2 LEU 10 -10.496 -2.706 10.327 75 3HD2 LEU 10 3HD2 LEU 10 -11.177 -2.502 8.714 76 H TYR 11 H TYR 11 -11.503 -6.942 7.070 77 HA TYR 11 HA TYR 11 -11.272 -5.270 4.763 78 1HB TYR 11 2HB TYR 11 -10.548 -7.186 3.550 79 2HB TYR 11 1HB TYR 11 -9.798 -7.254 5.133 80 HD1 TYR 11 1HD TYR 11 -12.687 -8.647 3.209 81 HD2 TYR 11 2HD TYR 11 -9.891 -9.207 6.367 82 HE1 TYR 11 1HE TYR 11 -13.451 -10.971 3.466 83 HE2 TYR 11 2HE TYR 11 -10.653 -11.525 6.635 84 HH TYR 11 HH TYR 11 -12.637 -13.094 4.346 85 H ARG 12 H ARG 12 -13.786 -7.184 6.190 86 HA ARG 12 HA ARG 12 -15.430 -7.311 3.871 87 1HB ARG 12 2HB ARG 12 -15.829 -8.686 5.897 88 2HB ARG 12 1HB ARG 12 -16.267 -7.230 6.777 89 1HG ARG 12 2HG ARG 12 -18.176 -6.890 5.332 90 2HG ARG 12 1HG ARG 12 -17.719 -8.293 4.364 91 1HD ARG 12 2HD ARG 12 -19.488 -8.882 5.917 92 2HD ARG 12 1HD ARG 12 -18.000 -9.729 6.332 93 HE ARG 12 HE ARG 12 -18.848 -7.284 7.751 94 1HH1 ARG 12 1HH1 ARG 12 -17.640 -10.575 7.760 95 2HH1 ARG 12 2HH1 ARG 12 -17.594 -10.684 9.497 96 1HH2 ARG 12 1HH2 ARG 12 -18.786 -7.428 10.026 97 2HH2 ARG 12 2HH2 ARG 12 -18.265 -8.900 10.783 98 H GLN 13 H GLN 13 -14.916 -4.958 6.420 99 HA GLN 13 HA GLN 13 -16.865 -3.087 5.549 100 1HB GLN 13 2HB GLN 13 -15.845 -3.047 7.809 101 2HB GLN 13 1HB GLN 13 -14.298 -2.622 7.092 102 1HG GLN 13 2HG GLN 13 -15.281 -0.535 6.252 103 2HG GLN 13 1HG GLN 13 -16.805 -0.957 7.030 104 1HE2 GLN 13 1HE2 GLN 13 -13.682 -1.629 8.438 105 2HE2 GLN 13 2HE2 GLN 13 -13.811 -0.497 9.736 106 H VAL 14 H VAL 14 -13.432 -3.623 4.855 107 HA VAL 14 HA VAL 14 -13.108 -1.277 3.268 108 HB VAL 14 HB VAL 14 -11.466 -3.815 3.306 109 1HG1 VAL 14 1HG1 VAL 14 -11.146 -2.597 1.214 110 2HG1 VAL 14 2HG1 VAL 14 -9.712 -2.480 2.235 111 3HG1 VAL 14 3HG1 VAL 14 -10.825 -1.117 2.118 112 1HG2 VAL 14 1HG2 VAL 14 -9.924 -2.489 4.685 113 2HG2 VAL 14 2HG2 VAL 14 -11.505 -2.664 5.449 114 3HG2 VAL 14 3HG2 VAL 14 -11.070 -1.148 4.659 115 H ILE 15 H ILE 15 -13.679 -4.690 2.394 116 HA ILE 15 HA ILE 15 -13.574 -4.218 -0.388 117 HB ILE 15 HB ILE 15 -13.298 -6.472 0.674 118 1HG1 ILE 15 2HG1 ILE 15 -15.399 -6.287 -1.497 119 2HG1 ILE 15 1HG1 ILE 15 -13.661 -6.183 -1.751 120 1HG2 ILE 15 1HG2 ILE 15 -16.305 -6.356 0.883 121 2HG2 ILE 15 2HG2 ILE 15 -15.164 -6.418 2.227 122 3HG2 ILE 15 3HG2 ILE 15 -15.318 -7.796 1.137 123 1HD1 ILE 15 1HD1 ILE 15 -13.420 -8.481 -0.937 124 2HD1 ILE 15 2HD1 ILE 15 -14.486 -8.374 -2.338 125 3HD1 ILE 15 3HD1 ILE 15 -15.168 -8.576 -0.724 126 H MET 16 H MET 16 -16.158 -3.955 1.966 127 HA MET 16 HA MET 16 -18.331 -3.926 0.183 128 1HB MET 16 2HB MET 16 -18.613 -4.103 2.611 129 2HB MET 16 1HB MET 16 -17.990 -2.475 2.817 130 1HG MET 16 2HG MET 16 -20.427 -2.982 1.156 131 2HG MET 16 1HG MET 16 -20.535 -2.878 2.911 132 1HE MET 16 1HE MET 16 -19.839 -0.700 4.300 133 2HE MET 16 2HE MET 16 -19.223 0.776 3.557 134 3HE MET 16 3HE MET 16 -18.256 -0.699 3.522 135 H ASP 17 H ASP 17 -16.324 -1.279 1.446 136 HA ASP 17 HA ASP 17 -17.707 0.706 -0.075 137 1HB ASP 17 2HB ASP 17 -16.530 1.221 2.043 138 2HB ASP 17 1HB ASP 17 -14.993 0.903 1.244 139 H HIS 18 H HIS 18 -14.805 -1.215 -0.541 140 HA HIS 18 HA HIS 18 -13.943 0.232 -2.850 141 1HB HIS 18 2HB HIS 18 -12.404 -1.107 -1.422 142 2HB HIS 18 1HB HIS 18 -13.175 -2.573 -2.023 143 HD1 HIS 18 1HD HIS 18 -11.962 0.494 -3.920 144 HD2 HIS 18 2HD HIS 18 -11.381 -3.623 -3.775 145 HE1 HIS 18 1HE HIS 18 -10.383 -0.030 -5.799 146 HE2 HIS 18 2HE HIS 18 -10.100 -2.532 -5.746 147 H TYR 19 H TYR 19 -16.251 -2.257 -2.283 148 HA TYR 19 HA TYR 19 -16.447 -3.128 -5.013 149 1HB TYR 19 2HB TYR 19 -17.212 -4.415 -2.963 150 2HB TYR 19 1HB TYR 19 -18.563 -3.294 -2.868 151 HD1 TYR 19 1HD TYR 19 -16.928 -5.658 -5.248 152 HD2 TYR 19 2HD TYR 19 -20.545 -3.823 -3.964 153 HE1 TYR 19 1HE TYR 19 -18.195 -7.090 -6.794 154 HE2 TYR 19 2HE TYR 19 -21.822 -5.247 -5.512 155 HH TYR 19 HH TYR 19 -21.502 -6.543 -7.522 156 H LYS 20 H LYS 20 -17.878 -0.714 -2.961 157 HA LYS 20 HA LYS 20 -19.779 0.234 -4.865 158 1HB LYS 20 2HB LYS 20 -20.537 1.066 -2.924 159 2HB LYS 20 1HB LYS 20 -18.992 0.802 -2.133 160 1HG LYS 20 2HG LYS 20 -18.194 2.953 -2.941 161 2HG LYS 20 1HG LYS 20 -19.723 3.214 -3.786 162 1HD LYS 20 2HD LYS 20 -20.932 3.282 -1.729 163 2HD LYS 20 1HD LYS 20 -19.519 2.755 -0.815 164 1HE LYS 20 2HE LYS 20 -19.740 5.355 -2.324 165 2HE LYS 20 1HE LYS 20 -19.976 5.172 -0.587 166 1HZ LYS 20 1HZ LYS 20 -17.773 5.891 -0.870 167 2HZ LYS 20 2HZ LYS 20 -17.476 4.811 -2.135 168 3HZ LYS 20 3HZ LYS 20 -17.645 4.232 -0.548 169 H ASN 21 H ASN 21 -16.445 0.871 -4.093 170 HA ASN 21 HA ASN 21 -16.317 2.709 -6.395 171 1HB ASN 21 2HB ASN 21 -14.925 3.057 -3.737 172 2HB ASN 21 1HB ASN 21 -14.482 3.946 -5.187 173 1HD2 ASN 21 1HD2 ASN 21 -17.336 4.095 -6.025 174 2HD2 ASN 21 2HD2 ASN 21 -18.020 5.335 -5.031 175 HA PRO 22 HA PRO 22 -13.016 -0.357 -7.073 176 1HB PRO 22 2HB PRO 22 -13.904 -1.208 -9.513 177 2HB PRO 22 1HB PRO 22 -14.397 -1.933 -7.983 178 1HG PRO 22 2HG PRO 22 -15.959 -0.335 -9.839 179 2HG PRO 22 1HG PRO 22 -16.509 -1.278 -8.448 180 1HD PRO 22 2HD PRO 22 -16.056 1.593 -8.659 181 2HD PRO 22 1HD PRO 22 -16.849 0.680 -7.362 182 H ARG 23 H ARG 23 -11.144 0.100 -8.170 183 HA ARG 23 HA ARG 23 -11.249 1.875 -10.479 184 1HB ARG 23 2HB ARG 23 -11.047 3.263 -8.368 185 2HB ARG 23 1HB ARG 23 -9.471 2.523 -8.124 186 1HG ARG 23 2HG ARG 23 -8.678 3.463 -10.216 187 2HG ARG 23 1HG ARG 23 -10.271 4.156 -10.526 188 1HD ARG 23 2HD ARG 23 -8.510 4.822 -8.171 189 2HD ARG 23 1HD ARG 23 -8.668 5.802 -9.627 190 HE ARG 23 HE ARG 23 -11.094 5.224 -8.104 191 1HH1 ARG 23 1HH1 ARG 23 -8.597 7.504 -8.986 192 2HH1 ARG 23 2HH1 ARG 23 -9.473 8.892 -8.418 193 1HH2 ARG 23 1HH2 ARG 23 -12.279 7.047 -7.378 194 2HH2 ARG 23 2HH2 ARG 23 -11.583 8.638 -7.548 195 H ASN 24 H ASN 24 -10.422 -0.951 -9.612 196 HA ASN 24 HA ASN 24 -7.602 -1.023 -10.277 197 1HB ASN 24 2HB ASN 24 -9.566 -3.300 -9.871 198 2HB ASN 24 1HB ASN 24 -7.819 -3.465 -10.026 199 1HD2 ASN 24 1HD2 ASN 24 -6.499 -2.884 -8.307 200 2HD2 ASN 24 2HD2 ASN 24 -7.124 -2.623 -6.713 201 H LYS 25 H LYS 25 -7.648 -0.121 -12.378 202 HA LYS 25 HA LYS 25 -8.250 -1.928 -14.520 203 1HB LYS 25 2HB LYS 25 -10.508 -1.069 -13.872 204 2HB LYS 25 1HB LYS 25 -9.961 0.557 -14.236 205 1HG LYS 25 2HG LYS 25 -11.286 -0.272 -16.049 206 2HG LYS 25 1HG LYS 25 -9.611 -0.118 -16.579 207 1HD LYS 25 2HD LYS 25 -9.292 -2.523 -16.243 208 2HD LYS 25 1HD LYS 25 -10.975 -2.671 -15.729 209 1HE LYS 25 2HE LYS 25 -9.991 -1.776 -18.436 210 2HE LYS 25 1HE LYS 25 -10.751 -3.320 -18.054 211 1HZ LYS 25 1HZ LYS 25 -12.776 -2.136 -17.459 212 2HZ LYS 25 2HZ LYS 25 -12.321 -1.776 -19.058 213 3HZ LYS 25 3HZ LYS 25 -12.045 -0.650 -17.826 214 H GLY 26 H GLY 26 -6.027 -0.157 -13.497 215 1HA GLY 26 2HA GLY 26 -5.555 1.255 -16.021 216 2HA GLY 26 1HA GLY 26 -5.514 2.197 -14.542 217 H VAL 27 H VAL 27 -3.545 1.175 -16.719 218 HA VAL 27 HA VAL 27 -1.380 0.674 -14.779 219 HB VAL 27 HB VAL 27 -1.423 -0.191 -17.685 220 1HG1 VAL 27 1HG1 VAL 27 0.811 0.368 -16.847 221 2HG1 VAL 27 2HG1 VAL 27 0.649 -1.359 -17.164 222 3HG1 VAL 27 3HG1 VAL 27 0.590 -0.757 -15.506 223 1HG2 VAL 27 1HG2 VAL 27 -1.543 -2.482 -16.831 224 2HG2 VAL 27 2HG2 VAL 27 -2.956 -1.540 -16.353 225 3HG2 VAL 27 3HG2 VAL 27 -1.676 -1.862 -15.184 226 H LEU 28 H LEU 28 -0.457 2.611 -14.489 227 HA LEU 28 HA LEU 28 -0.343 4.465 -16.777 228 1HB LEU 28 2HB LEU 28 -1.610 5.233 -14.853 229 2HB LEU 28 1HB LEU 28 -0.233 4.958 -13.805 230 HG LEU 28 HG LEU 28 1.010 6.718 -15.055 231 1HD1 LEU 28 1HD1 LEU 28 -0.247 8.233 -16.498 232 2HD1 LEU 28 2HD1 LEU 28 -1.665 7.193 -16.359 233 3HD1 LEU 28 3HD1 LEU 28 -0.211 6.597 -17.157 234 1HD2 LEU 28 1HD2 LEU 28 -0.085 7.231 -12.960 235 2HD2 LEU 28 2HD2 LEU 28 -1.606 7.529 -13.800 236 3HD2 LEU 28 3HD2 LEU 28 -0.228 8.595 -14.068 237 H ASN 29 H ASN 29 1.597 3.928 -17.759 238 HA ASN 29 HA ASN 29 4.001 3.721 -16.150 239 1HB ASN 29 2HB ASN 29 3.530 2.370 -18.273 240 2HB ASN 29 1HB ASN 29 3.862 3.851 -19.160 241 1HD2 ASN 29 1HD2 ASN 29 5.247 1.338 -19.248 242 2HD2 ASN 29 2HD2 ASN 29 6.890 1.649 -18.798 243 H ASP 30 H ASP 30 4.234 5.718 -15.220 244 HA ASP 30 HA ASP 30 4.882 7.918 -17.070 245 1HB ASP 30 2HB ASP 30 2.740 8.444 -16.060 246 2HB ASP 30 1HB ASP 30 3.367 8.090 -14.455 247 H SER 31 H SER 31 5.061 7.364 -13.564 248 HA SER 31 HA SER 31 7.952 7.863 -13.729 249 1HB SER 31 2HB SER 31 7.458 8.877 -11.314 250 2HB SER 31 1HB SER 31 7.316 9.851 -12.777 251 HG SER 31 HG SER 31 5.116 9.593 -12.750 252 H ILE 32 H ILE 32 5.385 6.603 -11.594 253 HA ILE 32 HA ILE 32 7.307 4.600 -10.604 254 HB ILE 32 HB ILE 32 4.656 5.454 -9.437 255 1HG1 ILE 32 2HG1 ILE 32 7.483 5.945 -8.488 256 2HG1 ILE 32 1HG1 ILE 32 6.441 7.143 -9.246 257 1HG2 ILE 32 1HG2 ILE 32 5.108 3.110 -8.961 258 2HG2 ILE 32 2HG2 ILE 32 5.285 4.084 -7.500 259 3HG2 ILE 32 3HG2 ILE 32 6.716 3.527 -8.367 260 1HD1 ILE 32 1HD1 ILE 32 6.493 7.417 -6.845 261 2HD1 ILE 32 2HD1 ILE 32 5.931 5.758 -6.632 262 3HD1 ILE 32 3HD1 ILE 32 4.880 6.956 -7.389 263 H VAL 33 H VAL 33 7.081 2.522 -11.100 264 HA VAL 33 HA VAL 33 4.491 1.510 -12.001 265 HB VAL 33 HB VAL 33 5.722 0.248 -13.877 266 1HG1 VAL 33 1HG1 VAL 33 5.388 2.094 -15.458 267 2HG1 VAL 33 2HG1 VAL 33 5.280 3.222 -14.108 268 3HG1 VAL 33 3HG1 VAL 33 4.057 1.968 -14.307 269 1HG2 VAL 33 1HG2 VAL 33 7.661 2.514 -13.437 270 2HG2 VAL 33 2HG2 VAL 33 7.645 1.441 -14.837 271 3HG2 VAL 33 3HG2 VAL 33 7.996 0.794 -13.234 272 H VAL 34 H VAL 34 4.516 0.439 -9.982 273 HA VAL 34 HA VAL 34 6.580 -1.614 -9.622 274 HB VAL 34 HB VAL 34 4.419 -0.733 -7.697 275 1HG1 VAL 34 1HG1 VAL 34 6.840 -2.482 -7.282 276 2HG1 VAL 34 2HG1 VAL 34 5.158 -3.012 -7.291 277 3HG1 VAL 34 3HG1 VAL 34 5.738 -1.940 -6.016 278 1HG2 VAL 34 1HG2 VAL 34 6.188 0.441 -6.500 279 2HG2 VAL 34 2HG2 VAL 34 6.020 1.060 -8.143 280 3HG2 VAL 34 3HG2 VAL 34 7.350 -0.026 -7.742 281 H ASP 35 H ASP 35 6.148 -3.742 -9.830 282 HA ASP 35 HA ASP 35 3.331 -4.558 -10.027 283 1HB ASP 35 2HB ASP 35 3.827 -6.100 -11.811 284 2HB ASP 35 1HB ASP 35 4.405 -4.510 -12.291 285 H MET 36 H MET 36 2.850 -6.611 -9.203 286 HA MET 36 HA MET 36 4.919 -8.209 -8.024 287 1HB MET 36 2HB MET 36 3.907 -6.221 -6.434 288 2HB MET 36 1HB MET 36 2.784 -7.529 -6.094 289 1HG MET 36 2HG MET 36 5.775 -7.687 -5.810 290 2HG MET 36 1HG MET 36 4.637 -7.421 -4.495 291 1HE MET 36 1HE MET 36 6.810 -9.689 -4.367 292 2HE MET 36 2HE MET 36 5.861 -11.054 -3.780 293 3HE MET 36 3HE MET 36 5.601 -9.447 -3.105 294 H ASN 37 H ASN 37 4.067 -10.239 -7.455 295 HA ASN 37 HA ASN 37 1.335 -10.860 -8.169 296 1HB ASN 37 2HB ASN 37 1.949 -12.473 -9.915 297 2HB ASN 37 1HB ASN 37 2.451 -10.841 -10.349 298 1HD2 ASN 37 1HD2 ASN 37 3.488 -14.029 -9.531 299 2HD2 ASN 37 2HD2 ASN 37 5.173 -13.799 -9.856 300 H ASN 38 H ASN 38 0.576 -12.713 -7.307 301 HA ASN 38 HA ASN 38 2.518 -14.619 -6.155 302 1HB ASN 38 2HB ASN 38 1.271 -13.453 -4.342 303 2HB ASN 38 1HB ASN 38 -0.249 -13.947 -5.077 304 1HD2 ASN 38 1HD2 ASN 38 0.602 -14.496 -2.421 305 2HD2 ASN 38 2HD2 ASN 38 0.701 -16.219 -2.249 306 HA PRO 39 HA PRO 39 1.556 -17.000 -9.701 307 1HB PRO 39 2HB PRO 39 1.235 -19.046 -7.533 308 2HB PRO 39 1HB PRO 39 2.024 -19.201 -9.109 309 1HG PRO 39 2HG PRO 39 3.372 -18.645 -6.790 310 2HG PRO 39 1HG PRO 39 3.936 -18.166 -8.400 311 1HD PRO 39 2HD PRO 39 3.081 -16.468 -6.242 312 2HD PRO 39 1HD PRO 39 3.644 -15.990 -7.854 313 H THR 40 H THR 40 -0.505 -18.257 -7.042 314 HA THR 40 HA THR 40 -2.798 -17.933 -8.868 315 HB THR 40 HB THR 40 -2.567 -20.261 -6.967 316 HG1 THR 40 1HG THR 40 -1.819 -20.269 -9.728 317 1HG2 THR 40 1HG2 THR 40 -4.125 -19.816 -9.522 318 2HG2 THR 40 2HG2 THR 40 -4.786 -19.800 -7.887 319 3HG2 THR 40 3HG2 THR 40 -4.139 -21.296 -8.562 320 H CYS 41 H CYS 41 -1.771 -16.327 -6.569 321 HA CYS 41 HA CYS 41 -4.183 -16.461 -4.881 322 1HB CYS 41 2HB CYS 41 -2.193 -17.442 -3.741 323 2HB CYS 41 1HB CYS 41 -1.380 -15.894 -3.899 324 HG CYS 41 HG CYS 41 -3.137 -16.941 -1.450 325 H GLY 42 H GLY 42 -1.577 -14.537 -6.211 326 1HA GLY 42 2HA GLY 42 -3.305 -12.167 -6.111 327 2HA GLY 42 1HA GLY 42 -1.670 -12.050 -5.459 328 H ASP 43 H ASP 43 -3.342 -13.250 -8.301 329 HA ASP 43 HA ASP 43 -1.446 -13.783 -10.057 330 1HB ASP 43 2HB ASP 43 -4.012 -12.303 -10.604 331 2HB ASP 43 1HB ASP 43 -2.985 -12.959 -11.876 332 H ARG 44 H ARG 44 -2.662 -10.420 -9.715 333 HA ARG 44 HA ARG 44 -0.045 -9.447 -10.479 334 1HB ARG 44 2HB ARG 44 -1.030 -8.087 -12.384 335 2HB ARG 44 1HB ARG 44 -0.841 -9.810 -12.683 336 1HG ARG 44 2HG ARG 44 -3.203 -10.166 -12.235 337 2HG ARG 44 1HG ARG 44 -3.409 -8.452 -11.879 338 1HD ARG 44 2HD ARG 44 -2.792 -7.896 -14.173 339 2HD ARG 44 1HD ARG 44 -2.545 -9.606 -14.529 340 HE ARG 44 HE ARG 44 -4.847 -9.932 -14.555 341 1HH1 ARG 44 1HH1 ARG 44 -4.059 -6.661 -13.616 342 2HH1 ARG 44 2HH1 ARG 44 -5.678 -6.059 -13.835 343 1HH2 ARG 44 1HH2 ARG 44 -6.991 -9.153 -14.832 344 2HH2 ARG 44 2HH2 ARG 44 -7.335 -7.475 -14.536 345 H ILE 45 H ILE 45 0.350 -7.440 -9.654 346 HA ILE 45 HA ILE 45 -1.945 -5.676 -9.277 347 HB ILE 45 HB ILE 45 -1.686 -6.507 -7.056 348 1HG1 ILE 45 2HG1 ILE 45 -0.332 -3.810 -7.273 349 2HG1 ILE 45 1HG1 ILE 45 -2.069 -4.092 -7.249 350 1HG2 ILE 45 1HG2 ILE 45 0.542 -7.457 -7.242 351 2HG2 ILE 45 2HG2 ILE 45 0.413 -6.431 -5.813 352 3HG2 ILE 45 3HG2 ILE 45 1.244 -5.839 -7.253 353 1HD1 ILE 45 1HD1 ILE 45 -1.885 -4.978 -4.978 354 2HD1 ILE 45 2HD1 ILE 45 -1.282 -3.323 -5.092 355 3HD1 ILE 45 3HD1 ILE 45 -0.148 -4.673 -5.006 356 H ARG 46 H ARG 46 -1.510 -4.179 -10.713 357 HA ARG 46 HA ARG 46 1.220 -3.198 -11.061 358 1HB ARG 46 2HB ARG 46 -1.309 -2.421 -12.536 359 2HB ARG 46 1HB ARG 46 0.331 -1.965 -12.973 360 1HG ARG 46 2HG ARG 46 -0.727 -4.783 -12.952 361 2HG ARG 46 1HG ARG 46 -0.577 -3.758 -14.381 362 1HD ARG 46 2HD ARG 46 1.859 -3.590 -13.933 363 2HD ARG 46 1HD ARG 46 1.655 -4.736 -12.608 364 HE ARG 46 HE ARG 46 0.665 -6.203 -14.515 365 1HH1 ARG 46 1HH1 ARG 46 3.411 -4.039 -14.735 366 2HH1 ARG 46 2HH1 ARG 46 4.162 -4.928 -16.032 367 1HH2 ARG 46 1HH2 ARG 46 1.650 -7.372 -16.189 368 2HH2 ARG 46 2HH2 ARG 46 3.165 -6.834 -16.857 369 H LEU 47 H LEU 47 1.824 -1.693 -9.648 370 HA LEU 47 HA LEU 47 -0.133 0.345 -8.836 371 1HB LEU 47 2HB LEU 47 0.991 -0.878 -7.007 372 2HB LEU 47 1HB LEU 47 2.547 -0.352 -7.620 373 HG LEU 47 HG LEU 47 1.852 2.007 -7.191 374 1HD1 LEU 47 1HD1 LEU 47 -0.062 2.400 -5.716 375 2HD1 LEU 47 2HD1 LEU 47 -0.483 0.690 -5.811 376 3HD1 LEU 47 3HD1 LEU 47 -0.560 1.698 -7.256 377 1HD2 LEU 47 1HD2 LEU 47 2.172 1.885 -4.776 378 2HD2 LEU 47 2HD2 LEU 47 3.252 0.772 -5.615 379 3HD2 LEU 47 3HD2 LEU 47 1.809 0.160 -4.808 380 H THR 48 H THR 48 -0.067 1.787 -10.505 381 HA THR 48 HA THR 48 2.590 2.749 -11.303 382 HB THR 48 HB THR 48 1.337 3.371 -13.460 383 HG1 THR 48 1HG THR 48 -0.504 1.578 -12.219 384 1HG2 THR 48 1HG2 THR 48 1.645 1.131 -14.387 385 2HG2 THR 48 2HG2 THR 48 1.707 0.455 -12.761 386 3HG2 THR 48 3HG2 THR 48 2.978 1.547 -13.310 387 H MET 49 H MET 49 2.976 4.720 -10.538 388 HA MET 49 HA MET 49 0.667 6.440 -9.931 389 1HB MET 49 2HB MET 49 3.385 6.317 -8.623 390 2HB MET 49 1HB MET 49 2.167 7.530 -8.259 391 1HG MET 49 2HG MET 49 0.641 5.750 -7.526 392 2HG MET 49 1HG MET 49 1.906 4.562 -7.835 393 1HE MET 49 1HE MET 49 1.646 3.666 -5.330 394 2HE MET 49 2HE MET 49 0.392 4.868 -5.023 395 3HE MET 49 3HE MET 49 1.749 4.705 -3.909 396 H LYS 50 H LYS 50 1.034 8.767 -10.027 397 HA LYS 50 HA LYS 50 3.020 9.513 -12.070 398 1HB LYS 50 2HB LYS 50 0.574 9.381 -12.865 399 2HB LYS 50 1HB LYS 50 0.287 10.775 -11.838 400 1HG LYS 50 2HG LYS 50 2.353 10.760 -14.022 401 2HG LYS 50 1HG LYS 50 0.677 11.235 -14.286 402 1HD LYS 50 2HD LYS 50 0.916 13.007 -12.611 403 2HD LYS 50 1HD LYS 50 2.594 12.526 -12.344 404 1HE LYS 50 2HE LYS 50 1.492 13.437 -14.997 405 2HE LYS 50 1HE LYS 50 2.304 14.498 -13.848 406 1HZ LYS 50 1HZ LYS 50 3.785 13.686 -15.599 407 2HZ LYS 50 2HZ LYS 50 3.531 12.089 -15.086 408 3HZ LYS 50 3HZ LYS 50 4.300 13.198 -14.062 409 H LEU 51 H LEU 51 4.462 10.429 -10.714 410 HA LEU 51 HA LEU 51 3.514 12.564 -8.963 411 1HB LEU 51 2HB LEU 51 5.733 12.533 -7.957 412 2HB LEU 51 1HB LEU 51 4.992 10.949 -7.907 413 HG LEU 51 HG LEU 51 6.507 10.833 -10.210 414 1HD1 LEU 51 1HD1 LEU 51 8.044 12.355 -8.109 415 2HD1 LEU 51 2HD1 LEU 51 7.577 12.962 -9.698 416 3HD1 LEU 51 3HD1 LEU 51 8.729 11.632 -9.565 417 1HD2 LEU 51 1HD2 LEU 51 7.276 10.039 -7.406 418 2HD2 LEU 51 2HD2 LEU 51 7.973 9.396 -8.893 419 3HD2 LEU 51 3HD2 LEU 51 6.277 9.097 -8.513 420 H ASP 52 H ASP 52 3.303 14.430 -9.975 421 HA ASP 52 HA ASP 52 5.238 15.131 -12.074 422 1HB ASP 52 2HB ASP 52 2.835 15.282 -12.663 423 2HB ASP 52 1HB ASP 52 2.607 16.463 -11.379 424 H GLY 53 H GLY 53 6.689 15.297 -10.156 425 1HA GLY 53 2HA GLY 53 7.823 17.569 -9.646 426 2HA GLY 53 1HA GLY 53 6.375 17.801 -8.668 427 H ASP 54 H ASP 54 6.232 16.931 -6.748 428 HA ASP 54 HA ASP 54 8.108 14.849 -5.895 429 1HB ASP 54 2HB ASP 54 7.769 17.539 -4.554 430 2HB ASP 54 1HB ASP 54 8.445 16.141 -3.731 431 H ILE 55 H ILE 55 5.255 14.803 -6.474 432 HA ILE 55 HA ILE 55 4.124 14.432 -3.839 433 HB ILE 55 HB ILE 55 1.951 15.390 -4.925 434 1HG1 ILE 55 2HG1 ILE 55 2.474 17.363 -6.413 435 2HG1 ILE 55 1HG1 ILE 55 4.103 16.728 -6.588 436 1HG2 ILE 55 1HG2 ILE 55 4.183 17.187 -3.997 437 2HG2 ILE 55 2HG2 ILE 55 3.046 16.315 -2.968 438 3HG2 ILE 55 3HG2 ILE 55 2.468 17.603 -4.026 439 1HD1 ILE 55 1HD1 ILE 55 2.744 16.172 -8.509 440 2HD1 ILE 55 2HD1 ILE 55 1.565 15.370 -7.470 441 3HD1 ILE 55 3HD1 ILE 55 3.192 14.709 -7.632 442 H VAL 56 H VAL 56 2.500 12.938 -3.768 443 HA VAL 56 HA VAL 56 2.351 11.070 -5.984 444 HB VAL 56 HB VAL 56 0.845 10.946 -3.363 445 1HG1 VAL 56 1HG1 VAL 56 0.687 8.543 -3.880 446 2HG1 VAL 56 2HG1 VAL 56 1.483 8.839 -5.427 447 3HG1 VAL 56 3HG1 VAL 56 -0.100 9.543 -5.102 448 1HG2 VAL 56 1HG2 VAL 56 2.593 9.430 -2.575 449 2HG2 VAL 56 2HG2 VAL 56 3.258 11.021 -2.949 450 3HG2 VAL 56 3HG2 VAL 56 3.493 9.678 -4.069 451 H GLU 57 H GLU 57 1.180 11.998 -7.626 452 HA GLU 57 HA GLU 57 -1.273 13.414 -6.932 453 1HB GLU 57 2HB GLU 57 0.487 14.258 -8.628 454 2HB GLU 57 1HB GLU 57 -0.200 13.069 -9.723 455 1HG GLU 57 2HG GLU 57 -1.771 15.272 -8.401 456 2HG GLU 57 1HG GLU 57 -1.087 15.365 -10.020 457 H ASP 58 H ASP 58 -0.410 11.066 -9.506 458 HA ASP 58 HA ASP 58 -3.133 9.986 -9.121 459 1HB ASP 58 2HB ASP 58 -2.763 11.108 -11.317 460 2HB ASP 58 1HB ASP 58 -1.501 9.931 -11.669 461 H ALA 59 H ALA 59 -3.398 7.725 -9.584 462 HA ALA 59 HA ALA 59 -1.097 6.006 -9.610 463 1HB ALA 59 1HB ALA 59 -1.607 4.876 -7.497 464 2HB ALA 59 2HB ALA 59 -2.867 6.066 -7.165 465 3HB ALA 59 3HB ALA 59 -1.177 6.566 -7.235 466 H LYS 60 H LYS 60 -1.604 4.128 -10.559 467 HA LYS 60 HA LYS 60 -4.464 3.492 -10.860 468 1HB LYS 60 2HB LYS 60 -2.259 3.352 -12.923 469 2HB LYS 60 1HB LYS 60 -3.834 2.606 -13.135 470 1HG LYS 60 2HG LYS 60 -3.432 5.554 -12.671 471 2HG LYS 60 1HG LYS 60 -3.540 4.811 -14.268 472 1HD LYS 60 2HD LYS 60 -5.769 3.873 -13.553 473 2HD LYS 60 1HD LYS 60 -5.657 4.909 -12.129 474 1HE LYS 60 2HE LYS 60 -5.509 5.903 -14.970 475 2HE LYS 60 1HE LYS 60 -6.987 5.875 -14.011 476 1HZ LYS 60 1HZ LYS 60 -5.808 8.043 -14.046 477 2HZ LYS 60 2HZ LYS 60 -4.525 7.335 -13.199 478 3HZ LYS 60 3HZ LYS 60 -6.061 7.429 -12.491 479 H PHE 61 H PHE 61 -4.929 1.563 -10.048 480 HA PHE 61 HA PHE 61 -2.722 -0.337 -9.710 481 1HB PHE 61 2HB PHE 61 -4.387 -1.144 -7.770 482 2HB PHE 61 1HB PHE 61 -3.144 0.076 -7.517 483 HD1 PHE 61 1HD PHE 61 -3.709 2.347 -7.090 484 HD2 PHE 61 2HD PHE 61 -6.749 -0.479 -8.028 485 HE1 PHE 61 1HE PHE 61 -5.422 3.954 -6.359 486 HE2 PHE 61 2HE PHE 61 -8.466 1.124 -7.303 487 HZ PHE 61 HZ PHE 61 -7.804 3.343 -6.467 488 H GLU 62 H GLU 62 -3.223 -1.198 -11.755 489 HA GLU 62 HA GLU 62 -5.721 -2.642 -12.101 490 1HB GLU 62 2HB GLU 62 -4.806 -1.630 -14.071 491 2HB GLU 62 1HB GLU 62 -3.224 -2.333 -13.776 492 1HG GLU 62 2HG GLU 62 -4.283 -3.477 -15.591 493 2HG GLU 62 1HG GLU 62 -4.166 -4.564 -14.210 494 H GLY 63 H GLY 63 -5.984 -4.635 -11.212 495 1HA GLY 63 2HA GLY 63 -4.020 -6.646 -11.454 496 2HA GLY 63 1HA GLY 63 -3.941 -5.952 -9.846 497 H GLU 64 H GLU 64 -4.488 -8.608 -10.354 498 HA GLU 64 HA GLU 64 -7.141 -8.776 -9.150 499 1HB GLU 64 2HB GLU 64 -6.135 -10.460 -11.440 500 2HB GLU 64 1HB GLU 64 -7.427 -10.999 -10.378 501 1HG GLU 64 2HG GLU 64 -8.661 -8.900 -10.980 502 2HG GLU 64 1HG GLU 64 -7.433 -8.622 -12.215 503 H GLY 65 H GLY 65 -7.386 -10.986 -8.085 504 1HA GLY 65 2HA GLY 65 -5.597 -12.670 -7.137 505 2HA GLY 65 1HA GLY 65 -5.009 -11.175 -6.416 506 H CYS 66 H CYS 66 -5.569 -11.116 -4.358 507 HA CYS 66 HA CYS 66 -7.851 -12.615 -3.417 508 1HB CYS 66 2HB CYS 66 -5.984 -10.829 -1.855 509 2HB CYS 66 1HB CYS 66 -7.043 -12.082 -1.214 510 HG CYS 66 HG CYS 66 -4.974 -13.338 -3.470 511 H SER 67 H SER 67 -9.456 -11.679 -2.028 512 HA SER 67 HA SER 67 -10.708 -9.406 -3.067 513 1HB SER 67 2HB SER 67 -12.053 -9.613 -0.867 514 2HB SER 67 1HB SER 67 -12.082 -10.980 -1.984 515 HG SER 67 HG SER 67 -11.684 -11.628 0.188 516 H ILE 68 H ILE 68 -8.405 -9.813 -0.449 517 HA ILE 68 HA ILE 68 -8.882 -7.102 0.477 518 HB ILE 68 HB ILE 68 -7.874 -7.585 2.441 519 1HG1 ILE 68 2HG1 ILE 68 -5.609 -7.968 1.509 520 2HG1 ILE 68 1HG1 ILE 68 -5.984 -9.056 2.835 521 1HG2 ILE 68 1HG2 ILE 68 -9.617 -9.201 2.263 522 2HG2 ILE 68 2HG2 ILE 68 -8.255 -9.948 3.098 523 3HG2 ILE 68 3HG2 ILE 68 -8.564 -10.322 1.402 524 1HD1 ILE 68 1HD1 ILE 68 -6.053 -9.756 -0.088 525 2HD1 ILE 68 2HD1 ILE 68 -6.392 -10.856 1.249 526 3HD1 ILE 68 3HD1 ILE 68 -4.775 -10.176 1.052 527 H SER 69 H SER 69 -6.653 -8.754 -1.581 528 HA SER 69 HA SER 69 -4.473 -6.944 -1.118 529 1HB SER 69 2HB SER 69 -3.457 -8.116 -3.104 530 2HB SER 69 1HB SER 69 -3.907 -9.177 -1.771 531 HG SER 69 HG SER 69 -5.264 -8.771 -4.222 532 H MET 70 H MET 70 -6.918 -7.363 -3.644 533 HA MET 70 HA MET 70 -6.039 -5.095 -5.140 534 1HB MET 70 2HB MET 70 -8.224 -5.246 -6.285 535 2HB MET 70 1HB MET 70 -7.370 -6.780 -6.245 536 1HG MET 70 2HG MET 70 -8.783 -7.529 -4.407 537 2HG MET 70 1HG MET 70 -9.632 -5.985 -4.431 538 1HE MET 70 1HE MET 70 -9.711 -8.878 -8.030 539 2HE MET 70 2HE MET 70 -8.745 -9.179 -6.583 540 3HE MET 70 3HE MET 70 -8.350 -7.824 -7.643 541 H ALA 71 H ALA 71 -7.750 -5.482 -2.240 542 HA ALA 71 HA ALA 71 -9.075 -2.905 -2.342 543 1HB ALA 71 1HB ALA 71 -10.167 -4.794 -1.232 544 2HB ALA 71 2HB ALA 71 -9.880 -3.465 -0.110 545 3HB ALA 71 3HB ALA 71 -8.836 -4.886 -0.079 546 H SER 72 H SER 72 -6.407 -4.439 -0.559 547 HA SER 72 HA SER 72 -5.769 -2.307 1.115 548 1HB SER 72 2HB SER 72 -3.471 -3.415 1.174 549 2HB SER 72 1HB SER 72 -4.840 -4.443 1.599 550 HG SER 72 HG SER 72 -3.079 -5.063 -0.121 551 H ALA 73 H ALA 73 -4.519 -3.129 -2.085 552 HA ALA 73 HA ALA 73 -2.650 -1.170 -2.472 553 1HB ALA 73 1HB ALA 73 -3.108 -1.366 -4.860 554 2HB ALA 73 2HB ALA 73 -4.633 -2.181 -4.507 555 3HB ALA 73 3HB ALA 73 -3.101 -2.948 -4.083 556 H SER 74 H SER 74 -6.146 -0.897 -3.154 557 HA SER 74 HA SER 74 -5.950 1.828 -3.936 558 1HB SER 74 2HB SER 74 -8.494 1.738 -3.680 559 2HB SER 74 1HB SER 74 -7.767 0.630 -4.841 560 HG SER 74 HG SER 74 -8.065 -0.308 -2.232 561 H MET 75 H MET 75 -6.320 0.246 -0.872 562 HA MET 75 HA MET 75 -7.457 2.541 0.458 563 1HB MET 75 2HB MET 75 -7.953 0.245 1.201 564 2HB MET 75 1HB MET 75 -6.259 0.009 1.601 565 1HG MET 75 2HG MET 75 -6.402 1.738 3.300 566 2HG MET 75 1HG MET 75 -8.094 2.019 2.885 567 1HE MET 75 1HE MET 75 -8.840 1.677 5.415 568 2HE MET 75 2HE MET 75 -7.143 1.463 5.842 569 3HE MET 75 3HE MET 75 -8.346 0.293 6.391 570 H MET 76 H MET 76 -4.325 0.871 0.454 571 HA MET 76 HA MET 76 -3.025 2.648 2.220 572 1HB MET 76 2HB MET 76 -1.810 0.978 0.010 573 2HB MET 76 1HB MET 76 -0.941 1.683 1.363 574 1HG MET 76 2HG MET 76 -3.054 -0.452 1.540 575 2HG MET 76 1HG MET 76 -1.316 -0.698 1.668 576 1HE MET 76 1HE MET 76 0.166 0.274 3.703 577 2HE MET 76 2HE MET 76 -0.521 1.246 5.005 578 3HE MET 76 3HE MET 76 -0.470 1.883 3.361 579 H THR 77 H THR 77 -3.410 2.614 -1.277 580 HA THR 77 HA THR 77 -1.595 4.770 -1.739 581 HB THR 77 HB THR 77 -3.716 3.665 -3.590 582 HG1 THR 77 1HG THR 77 -2.431 1.960 -3.290 583 1HG2 THR 77 1HG2 THR 77 -2.790 5.843 -4.282 584 2HG2 THR 77 2HG2 THR 77 -2.312 4.544 -5.375 585 3HG2 THR 77 3HG2 THR 77 -1.163 5.167 -4.189 586 H GLN 78 H GLN 78 -4.917 4.575 -0.844 587 HA GLN 78 HA GLN 78 -5.755 7.069 -1.929 588 1HB GLN 78 2HB GLN 78 -7.312 5.235 -1.175 589 2HB GLN 78 1HB GLN 78 -6.917 5.664 0.484 590 1HG GLN 78 2HG GLN 78 -7.799 7.901 0.134 591 2HG GLN 78 1HG GLN 78 -8.163 7.504 -1.544 592 1HE2 GLN 78 1HE2 GLN 78 -8.610 5.343 1.184 593 2HE2 GLN 78 2HE2 GLN 78 -10.338 5.294 1.088 594 H ALA 79 H ALA 79 -4.459 6.014 1.170 595 HA ALA 79 HA ALA 79 -4.456 8.683 2.265 596 1HB ALA 79 1HB ALA 79 -3.291 7.677 4.161 597 2HB ALA 79 2HB ALA 79 -3.117 6.169 3.265 598 3HB ALA 79 3HB ALA 79 -4.720 6.740 3.729 599 H ILE 80 H ILE 80 -2.331 6.652 0.449 600 HA ILE 80 HA ILE 80 0.099 8.011 1.084 601 HB ILE 80 HB ILE 80 -0.561 5.642 -0.195 602 1HG1 ILE 80 2HG1 ILE 80 1.421 6.130 1.205 603 2HG1 ILE 80 1HG1 ILE 80 1.828 5.253 -0.267 604 1HG2 ILE 80 1HG2 ILE 80 0.737 7.466 -2.214 605 2HG2 ILE 80 2HG2 ILE 80 -0.863 6.730 -2.336 606 3HG2 ILE 80 3HG2 ILE 80 0.581 5.716 -2.368 607 1HD1 ILE 80 1HD1 ILE 80 2.596 7.317 -1.289 608 2HD1 ILE 80 2HD1 ILE 80 3.448 6.988 0.219 609 3HD1 ILE 80 3HD1 ILE 80 2.173 8.206 0.175 610 H LYS 81 H LYS 81 -2.400 8.406 -1.312 611 HA LYS 81 HA LYS 81 -1.040 10.077 -3.119 612 1HB LYS 81 2HB LYS 81 -3.121 9.025 -3.743 613 2HB LYS 81 1HB LYS 81 -3.981 9.865 -2.460 614 1HG LYS 81 2HG LYS 81 -3.541 12.002 -3.579 615 2HG LYS 81 1HG LYS 81 -2.715 11.140 -4.877 616 1HD LYS 81 2HD LYS 81 -5.587 10.667 -4.096 617 2HD LYS 81 1HD LYS 81 -5.082 11.767 -5.378 618 1HE LYS 81 2HE LYS 81 -3.950 9.857 -6.493 619 2HE LYS 81 1HE LYS 81 -4.617 8.790 -5.256 620 1HZ LYS 81 1HZ LYS 81 -6.267 10.501 -7.032 621 2HZ LYS 81 2HZ LYS 81 -6.819 9.301 -5.971 622 3HZ LYS 81 3HZ LYS 81 -5.921 8.872 -7.347 623 H GLY 82 H GLY 82 -2.334 10.722 0.013 624 1HA GLY 82 2HA GLY 82 -2.642 13.569 -0.480 625 2HA GLY 82 1HA GLY 82 -2.960 12.733 1.031 626 H LYS 83 H LYS 83 0.068 12.171 -0.559 627 HA LYS 83 HA LYS 83 1.400 13.985 1.312 628 1HB LYS 83 2HB LYS 83 1.744 11.013 1.142 629 2HB LYS 83 1HB LYS 83 3.144 12.005 1.512 630 1HG LYS 83 2HG LYS 83 2.319 11.337 3.589 631 2HG LYS 83 1HG LYS 83 1.744 12.991 3.399 632 1HD LYS 83 2HD LYS 83 -0.438 12.100 2.639 633 2HD LYS 83 1HD LYS 83 0.150 10.466 2.957 634 1HE LYS 83 2HE LYS 83 -0.012 12.655 5.024 635 2HE LYS 83 1HE LYS 83 -1.256 11.432 4.780 636 1HZ LYS 83 1HZ LYS 83 1.478 10.495 5.213 637 2HZ LYS 83 2HZ LYS 83 0.010 9.819 5.730 638 3HZ LYS 83 3HZ LYS 83 0.671 11.154 6.546 639 H ASP 84 H ASP 84 3.916 13.736 0.776 640 HA ASP 84 HA ASP 84 4.211 13.838 -2.119 641 1HB ASP 84 2HB ASP 84 5.904 15.531 -1.807 642 2HB ASP 84 1HB ASP 84 4.477 16.038 -0.912 643 H ILE 85 H ILE 85 6.929 13.835 -2.151 644 HA ILE 85 HA ILE 85 7.322 10.999 -1.784 645 HB ILE 85 HB ILE 85 8.735 13.123 -3.317 646 1HG1 ILE 85 2HG1 ILE 85 8.513 11.525 -5.128 647 2HG1 ILE 85 1HG1 ILE 85 7.992 10.273 -4.008 648 1HG2 ILE 85 1HG2 ILE 85 10.619 11.614 -3.805 649 2HG2 ILE 85 2HG2 ILE 85 10.034 10.508 -2.563 650 3HG2 ILE 85 3HG2 ILE 85 10.584 12.123 -2.117 651 1HD1 ILE 85 1HD1 ILE 85 6.484 12.786 -4.703 652 2HD1 ILE 85 2HD1 ILE 85 5.959 11.566 -3.542 653 3HD1 ILE 85 3HD1 ILE 85 6.114 11.150 -5.248 654 H GLU 86 H GLU 86 8.729 13.976 -0.515 655 HA GLU 86 HA GLU 86 10.863 12.756 0.888 656 1HB GLU 86 2HB GLU 86 9.406 15.353 1.436 657 2HB GLU 86 1HB GLU 86 10.932 14.879 2.170 658 1HG GLU 86 2HG GLU 86 10.511 15.225 -0.789 659 2HG GLU 86 1HG GLU 86 11.158 16.468 0.281 660 H THR 87 H THR 87 7.560 13.611 1.753 661 HA THR 87 HA THR 87 7.772 12.646 4.433 662 HB THR 87 HB THR 87 5.248 13.094 2.831 663 HG1 THR 87 1HG THR 87 5.943 15.101 2.844 664 1HG2 THR 87 1HG2 THR 87 4.901 11.868 4.919 665 2HG2 THR 87 2HG2 THR 87 4.238 13.499 5.035 666 3HG2 THR 87 3HG2 THR 87 5.778 13.115 5.807 667 H ALA 88 H ALA 88 6.845 11.236 1.346 668 HA ALA 88 HA ALA 88 5.566 8.925 2.297 669 1HB ALA 88 1HB ALA 88 5.480 9.646 -0.047 670 2HB ALA 88 2HB ALA 88 5.997 7.967 0.108 671 3HB ALA 88 3HB ALA 88 7.184 9.227 -0.229 672 H LEU 89 H LEU 89 8.968 9.458 1.398 673 HA LEU 89 HA LEU 89 9.939 6.927 2.100 674 1HB LEU 89 2HB LEU 89 11.353 9.590 2.332 675 2HB LEU 89 1HB LEU 89 12.130 8.020 2.293 676 HG LEU 89 HG LEU 89 10.523 9.180 0.013 677 1HD1 LEU 89 1HD1 LEU 89 12.666 9.558 -1.075 678 2HD1 LEU 89 2HD1 LEU 89 13.510 9.010 0.372 679 3HD1 LEU 89 3HD1 LEU 89 12.543 10.484 0.420 680 1HD2 LEU 89 1HD2 LEU 89 12.363 6.795 0.108 681 2HD2 LEU 89 2HD2 LEU 89 11.464 7.378 -1.293 682 3HD2 LEU 89 3HD2 LEU 89 10.602 6.721 0.099 683 H SER 90 H SER 90 9.372 9.826 3.973 684 HA SER 90 HA SER 90 10.544 8.921 6.391 685 1HB SER 90 2HB SER 90 8.504 11.115 5.948 686 2HB SER 90 1HB SER 90 9.498 10.897 7.389 687 HG SER 90 HG SER 90 10.240 11.747 4.812 688 H MET 91 H MET 91 7.479 8.370 4.893 689 HA MET 91 HA MET 91 6.168 7.584 7.332 690 1HB MET 91 2HB MET 91 5.388 7.220 4.438 691 2HB MET 91 1HB MET 91 4.408 6.657 5.785 692 1HG MET 91 2HG MET 91 4.358 9.009 6.626 693 2HG MET 91 1HG MET 91 5.151 9.497 5.131 694 1HE MET 91 1HE MET 91 4.078 9.070 2.716 695 2HE MET 91 2HE MET 91 2.445 8.458 2.465 696 3HE MET 91 3HE MET 91 3.697 7.388 3.095 697 H SER 92 H SER 92 8.249 6.113 5.042 698 HA SER 92 HA SER 92 7.799 3.438 6.037 699 1HB SER 92 2HB SER 92 8.496 3.600 3.746 700 2HB SER 92 1HB SER 92 9.848 4.648 4.170 701 HG SER 92 HG SER 92 9.702 1.945 4.122 702 H LYS 93 H LYS 93 9.951 6.156 6.439 703 HA LYS 93 HA LYS 93 11.856 5.057 8.157 704 1HB LYS 93 2HB LYS 93 11.841 7.347 7.109 705 2HB LYS 93 1HB LYS 93 10.662 7.828 8.316 706 1HG LYS 93 2HG LYS 93 12.300 7.354 10.083 707 2HG LYS 93 1HG LYS 93 13.486 6.929 8.841 708 1HD LYS 93 2HD LYS 93 13.186 9.203 7.869 709 2HD LYS 93 1HD LYS 93 12.152 9.605 9.240 710 1HE LYS 93 2HE LYS 93 14.030 9.138 10.760 711 2HE LYS 93 1HE LYS 93 15.057 8.803 9.365 712 1HZ LYS 93 1HZ LYS 93 15.481 11.021 9.970 713 2HZ LYS 93 2HZ LYS 93 13.836 11.380 10.157 714 3HZ LYS 93 3HZ LYS 93 14.471 11.124 8.607 715 H ILE 94 H ILE 94 8.670 6.469 8.808 716 HA ILE 94 HA ILE 94 8.800 5.809 11.612 717 HB ILE 94 HB ILE 94 6.522 6.657 11.767 718 1HG1 ILE 94 2HG1 ILE 94 6.672 7.025 8.766 719 2HG1 ILE 94 1HG1 ILE 94 5.717 5.796 9.585 720 1HG2 ILE 94 1HG2 ILE 94 6.948 8.968 11.052 721 2HG2 ILE 94 2HG2 ILE 94 8.325 8.409 10.103 722 3HG2 ILE 94 3HG2 ILE 94 8.341 8.252 11.860 723 1HD1 ILE 94 1HD1 ILE 94 4.389 7.550 10.651 724 2HD1 ILE 94 2HD1 ILE 94 4.330 7.657 8.892 725 3HD1 ILE 94 3HD1 ILE 94 5.341 8.773 9.810 726 H PHE 95 H PHE 95 7.661 4.307 8.690 727 HA PHE 95 HA PHE 95 5.753 2.537 9.723 728 1HB PHE 95 2HB PHE 95 6.365 2.910 7.279 729 2HB PHE 95 1HB PHE 95 7.729 1.831 7.545 730 HD1 PHE 95 1HD PHE 95 4.092 2.077 7.278 731 HD2 PHE 95 2HD PHE 95 7.398 -0.547 7.823 732 HE1 PHE 95 1HE PHE 95 2.636 0.152 6.803 733 HE2 PHE 95 2HE PHE 95 5.947 -2.475 7.352 734 HZ PHE 95 HZ PHE 95 3.564 -2.128 6.840 735 H SER 96 H SER 96 9.263 2.145 9.397 736 HA SER 96 HA SER 96 9.253 -0.371 10.793 737 1HB SER 96 2HB SER 96 11.792 0.014 10.702 738 2HB SER 96 1HB SER 96 10.950 -0.151 9.161 739 HG SER 96 HG SER 96 11.337 1.886 8.711 740 H ASP 97 H ASP 97 9.634 2.984 11.602 741 HA ASP 97 HA ASP 97 10.969 2.682 14.075 742 1HB ASP 97 2HB ASP 97 10.843 4.838 12.896 743 2HB ASP 97 1HB ASP 97 9.107 4.895 13.181 744 H MET 98 H MET 98 7.622 2.453 13.138 745 HA MET 98 HA MET 98 6.316 2.819 15.549 746 1HB MET 98 2HB MET 98 5.177 2.561 13.391 747 2HB MET 98 1HB MET 98 5.626 0.864 13.349 748 1HG MET 98 2HG MET 98 4.267 0.440 15.325 749 2HG MET 98 1HG MET 98 3.835 2.145 15.403 750 1HE MET 98 1HE MET 98 1.684 -0.189 15.409 751 2HE MET 98 2HE MET 98 0.488 0.448 14.283 752 3HE MET 98 3HE MET 98 1.253 1.521 15.455 753 H MET 99 H MET 99 8.381 0.206 14.647 754 HA MET 99 HA MET 99 7.235 -1.670 16.518 755 1HB MET 99 2HB MET 99 8.244 -2.468 14.432 756 2HB MET 99 1HB MET 99 9.801 -1.816 14.925 757 1HG MET 99 2HG MET 99 9.842 -3.355 16.820 758 2HG MET 99 1HG MET 99 8.286 -4.012 16.319 759 1HE MET 99 1HE MET 99 8.603 -4.071 13.126 760 2HE MET 99 2HE MET 99 7.899 -5.363 14.097 761 3HE MET 99 3HE MET 99 9.160 -5.732 12.920 762 H GLN 100 H GLN 100 9.654 0.812 16.651 763 HA GLN 100 HA GLN 100 10.494 -0.211 19.272 764 1HB GLN 100 2HB GLN 100 12.858 0.414 18.724 765 2HB GLN 100 1HB GLN 100 12.228 -0.971 17.843 766 1HG GLN 100 2HG GLN 100 11.764 0.573 15.925 767 2HG GLN 100 1HG GLN 100 12.632 1.826 16.812 768 1HE2 GLN 100 1HE2 GLN 100 13.253 0.588 14.243 769 2HE2 GLN 100 2HE2 GLN 100 14.832 -0.102 14.402 770 H GLY 101 H GLY 101 10.497 2.590 17.081 771 1HA GLY 101 2HA GLY 101 11.027 4.396 19.308 772 2HA GLY 101 1HA GLY 101 10.856 4.845 17.616 773 H LYS 102 H LYS 102 8.437 3.584 17.079 774 HA LYS 102 HA LYS 102 6.183 3.594 17.339 775 1HB LYS 102 2HB LYS 102 6.851 3.058 19.772 776 2HB LYS 102 1HB LYS 102 6.502 4.748 20.102 777 1HG LYS 102 2HG LYS 102 4.618 3.328 20.671 778 2HG LYS 102 1HG LYS 102 4.206 4.431 19.356 779 1HD LYS 102 2HD LYS 102 4.392 2.695 17.736 780 2HD LYS 102 1HD LYS 102 5.105 1.590 18.913 781 1HE LYS 102 2HE LYS 102 2.747 1.075 18.465 782 2HE LYS 102 1HE LYS 102 3.019 1.519 20.148 783 1HZ LYS 102 1HZ LYS 102 1.934 3.310 18.037 784 2HZ LYS 102 2HZ LYS 102 2.192 3.742 19.656 785 3HZ LYS 102 3HZ LYS 102 1.032 2.568 19.267 786 H GLU 103 H GLU 103 7.840 5.957 16.480 787 HA GLU 103 HA GLU 103 5.767 8.016 16.911 788 1HB GLU 103 2HB GLU 103 8.693 8.344 16.247 789 2HB GLU 103 1HB GLU 103 7.524 9.656 16.175 790 1HG GLU 103 2HG GLU 103 7.031 9.056 18.628 791 2HG GLU 103 1HG GLU 103 8.565 8.186 18.561 792 H TYR 104 H TYR 104 4.785 8.930 15.194 793 HA TYR 104 HA TYR 104 5.513 7.893 12.531 794 1HB TYR 104 2HB TYR 104 2.774 8.924 13.171 795 2HB TYR 104 1HB TYR 104 3.261 7.731 11.974 796 HD1 TYR 104 1HD TYR 104 3.830 5.416 12.724 797 HD2 TYR 104 2HD TYR 104 2.101 8.293 15.329 798 HE1 TYR 104 1HE TYR 104 3.154 3.624 14.251 799 HE2 TYR 104 2HE TYR 104 1.419 6.516 16.867 800 HH TYR 104 HH TYR 104 0.891 3.990 16.638 801 H ASP 105 H ASP 105 3.447 9.686 11.438 802 HA ASP 105 HA ASP 105 4.616 12.322 11.998 803 1HB ASP 105 2HB ASP 105 5.388 11.488 9.786 804 2HB ASP 105 1HB ASP 105 3.711 11.309 9.287 805 H ASP 106 H ASP 106 2.769 12.090 13.553 806 HA ASP 106 HA ASP 106 0.976 13.282 14.279 807 1HB ASP 106 2HB ASP 106 1.643 15.037 12.676 808 2HB ASP 106 1HB ASP 106 0.693 14.245 11.425 809 H SER 107 H SER 107 0.854 10.817 12.075 810 HA SER 107 HA SER 107 -1.943 10.599 11.698 811 1HB SER 107 2HB SER 107 -1.349 8.175 11.159 812 2HB SER 107 1HB SER 107 -0.557 9.404 10.172 813 HG SER 107 HG SER 107 0.775 7.627 11.104 814 H ILE 108 H ILE 108 0.326 8.885 13.842 815 HA ILE 108 HA ILE 108 0.106 8.030 15.935 816 HB ILE 108 HB ILE 108 -2.268 9.841 15.901 817 1HG1 ILE 108 2HG1 ILE 108 -1.103 10.764 17.905 818 2HG1 ILE 108 1HG1 ILE 108 0.158 9.558 17.685 819 1HG2 ILE 108 1HG2 ILE 108 -3.173 7.906 17.024 820 2HG2 ILE 108 2HG2 ILE 108 -2.861 9.182 18.200 821 3HG2 ILE 108 3HG2 ILE 108 -1.755 7.814 18.070 822 1HD1 ILE 108 1HD1 ILE 108 0.706 10.533 15.518 823 2HD1 ILE 108 2HD1 ILE 108 0.839 11.714 16.821 824 3HD1 ILE 108 3HD1 ILE 108 -0.558 11.741 15.745 825 H ASP 109 H ASP 109 -2.700 7.724 13.857 826 HA ASP 109 HA ASP 109 -2.933 4.911 14.691 827 1HB ASP 109 2HB ASP 109 -5.330 4.987 14.444 828 2HB ASP 109 1HB ASP 109 -4.864 6.292 15.528 829 H LEU 110 H LEU 110 -3.711 3.507 12.956 830 HA LEU 110 HA LEU 110 -3.431 4.532 10.274 831 1HB LEU 110 2HB LEU 110 -1.470 2.433 11.205 832 2HB LEU 110 1HB LEU 110 -1.520 3.231 9.645 833 HG LEU 110 HG LEU 110 -1.154 5.365 11.287 834 1HD1 LEU 110 1HD1 LEU 110 -0.960 4.050 13.294 835 2HD1 LEU 110 2HD1 LEU 110 0.609 4.753 12.894 836 3HD1 LEU 110 3HD1 LEU 110 0.293 3.050 12.558 837 1HD2 LEU 110 1HD2 LEU 110 1.190 5.299 10.609 838 2HD2 LEU 110 2HD2 LEU 110 0.114 4.893 9.271 839 3HD2 LEU 110 3HD2 LEU 110 0.999 3.619 10.109 840 H GLY 111 H GLY 111 -5.628 3.712 10.576 841 1HA GLY 111 2HA GLY 111 -6.328 1.037 10.887 842 2HA GLY 111 1HA GLY 111 -7.248 2.206 9.953 843 H ASP 112 H ASP 112 -4.737 2.552 8.257 844 HA ASP 112 HA ASP 112 -5.419 0.773 6.177 845 1HB ASP 112 2HB ASP 112 -3.175 1.633 5.220 846 2HB ASP 112 1HB ASP 112 -4.469 2.796 5.487 847 H ILE 113 H ILE 113 -2.649 0.789 8.420 848 HA ILE 113 HA ILE 113 -1.499 -1.570 7.327 849 HB ILE 113 HB ILE 113 -0.184 0.161 8.569 850 1HG1 ILE 113 2HG1 ILE 113 -0.012 -2.675 9.620 851 2HG1 ILE 113 1HG1 ILE 113 0.748 -2.066 8.153 852 1HG2 ILE 113 1HG2 ILE 113 -1.465 -1.085 10.999 853 2HG2 ILE 113 2HG2 ILE 113 -1.743 0.551 10.404 854 3HG2 ILE 113 3HG2 ILE 113 -0.152 0.093 11.012 855 1HD1 ILE 113 1HD1 ILE 113 2.336 -2.280 9.990 856 2HD1 ILE 113 2HD1 ILE 113 1.375 -1.156 10.952 857 3HD1 ILE 113 3HD1 ILE 113 2.162 -0.603 9.474 858 H GLU 114 H GLU 114 -4.012 -0.946 9.565 859 HA GLU 114 HA GLU 114 -4.025 -3.266 11.122 860 1HB GLU 114 2HB GLU 114 -6.304 -1.596 10.061 861 2HB GLU 114 1HB GLU 114 -6.531 -2.917 11.197 862 1HG GLU 114 2HG GLU 114 -4.824 -0.491 11.699 863 2HG GLU 114 1HG GLU 114 -6.480 -0.698 12.266 864 H ALA 115 H ALA 115 -4.937 -2.719 7.806 865 HA ALA 115 HA ALA 115 -6.327 -5.207 7.479 866 1HB ALA 115 1HB ALA 115 -5.202 -3.317 5.414 867 2HB ALA 115 2HB ALA 115 -6.839 -3.282 6.068 868 3HB ALA 115 3HB ALA 115 -6.307 -4.652 5.095 869 H LEU 116 H LEU 116 -3.031 -4.083 7.064 870 HA LEU 116 HA LEU 116 -2.295 -6.405 5.489 871 1HB LEU 116 2HB LEU 116 -0.617 -4.141 6.557 872 2HB LEU 116 1HB LEU 116 -0.044 -5.394 5.471 873 HG LEU 116 HG LEU 116 -2.152 -3.325 4.849 874 1HD1 LEU 116 1HD1 LEU 116 0.094 -2.411 4.876 875 2HD1 LEU 116 2HD1 LEU 116 -0.508 -2.519 3.222 876 3HD1 LEU 116 3HD1 LEU 116 0.653 -3.705 3.816 877 1HD2 LEU 116 1HD2 LEU 116 -2.074 -4.255 2.569 878 2HD2 LEU 116 2HD2 LEU 116 -2.702 -5.403 3.750 879 3HD2 LEU 116 3HD2 LEU 116 -1.048 -5.564 3.159 880 H GLN 117 H GLN 117 -1.830 -5.251 8.775 881 HA GLN 117 HA GLN 117 0.363 -6.874 9.454 882 1HB GLN 117 2HB GLN 117 -0.194 -6.330 11.787 883 2HB GLN 117 1HB GLN 117 -0.219 -4.910 10.749 884 1HG GLN 117 2HG GLN 117 -2.651 -5.030 10.640 885 2HG GLN 117 1HG GLN 117 -2.629 -6.452 11.680 886 1HE2 GLN 117 1HE2 GLN 117 -2.178 -3.020 11.511 887 2HE2 GLN 117 2HE2 GLN 117 -2.244 -2.726 13.214 888 H GLY 118 H GLY 118 -2.965 -7.700 9.155 889 1HA GLY 118 2HA GLY 118 -2.922 -9.906 10.991 890 2HA GLY 118 1HA GLY 118 -4.162 -9.574 9.791 891 H VAL 119 H VAL 119 -2.801 -9.672 7.445 892 HA VAL 119 HA VAL 119 -2.568 -12.527 7.167 893 HB VAL 119 HB VAL 119 -2.315 -12.052 4.737 894 1HG1 VAL 119 1HG1 VAL 119 -4.649 -10.727 6.115 895 2HG1 VAL 119 2HG1 VAL 119 -4.510 -12.431 5.680 896 3HG1 VAL 119 3HG1 VAL 119 -4.599 -11.203 4.418 897 1HG2 VAL 119 1HG2 VAL 119 -1.204 -9.887 4.876 898 2HG2 VAL 119 2HG2 VAL 119 -2.656 -9.173 5.578 899 3HG2 VAL 119 3HG2 VAL 119 -2.681 -9.775 3.921 900 H SER 120 H SER 120 -0.417 -10.039 7.740 901 HA SER 120 HA SER 120 1.738 -10.236 6.134 902 1HB SER 120 2HB SER 120 1.682 -9.743 9.101 903 2HB SER 120 1HB SER 120 3.095 -9.463 8.087 904 HG SER 120 HG SER 120 0.646 -8.318 7.334 905 H LYS 121 H LYS 121 0.846 -13.007 7.964 906 HA LYS 121 HA LYS 121 3.577 -13.964 7.940 907 1HB LYS 121 2HB LYS 121 3.677 -14.393 10.358 908 2HB LYS 121 1HB LYS 121 3.587 -12.678 9.982 909 1HG LYS 121 2HG LYS 121 1.109 -12.826 10.441 910 2HG LYS 121 1HG LYS 121 1.414 -14.444 11.079 911 1HD LYS 121 2HD LYS 121 2.630 -11.866 12.070 912 2HD LYS 121 1HD LYS 121 1.390 -12.818 12.885 913 1HE LYS 121 2HE LYS 121 2.915 -14.633 13.227 914 2HE LYS 121 1HE LYS 121 4.135 -13.861 12.212 915 1HZ LYS 121 1HZ LYS 121 4.323 -12.086 13.826 916 2HZ LYS 121 2HZ LYS 121 4.607 -13.582 14.573 917 3HZ LYS 121 3HZ LYS 121 3.120 -12.792 14.788 918 H PHE 122 H PHE 122 0.450 -14.613 7.434 919 HA PHE 122 HA PHE 122 0.447 -17.311 8.453 920 1HB PHE 122 2HB PHE 122 -1.422 -15.865 6.564 921 2HB PHE 122 1HB PHE 122 -1.638 -17.539 7.065 922 HD1 PHE 122 1HD PHE 122 -2.917 -14.469 7.584 923 HD2 PHE 122 2HD PHE 122 -1.226 -17.660 9.830 924 HE1 PHE 122 1HE PHE 122 -4.145 -13.711 9.575 925 HE2 PHE 122 2HE PHE 122 -2.452 -16.911 11.827 926 HZ PHE 122 HZ PHE 122 -3.916 -14.933 11.702 927 HA PRO 123 HA PRO 123 2.928 -19.311 5.498 928 1HB PRO 123 2HB PRO 123 0.588 -21.134 5.126 929 2HB PRO 123 1HB PRO 123 2.291 -21.530 5.390 930 1HG PRO 123 2HG PRO 123 0.541 -21.703 7.385 931 2HG PRO 123 1HG PRO 123 2.180 -21.084 7.663 932 1HD PRO 123 2HD PRO 123 -0.405 -19.619 7.544 933 2HD PRO 123 1HD PRO 123 1.063 -19.250 8.472 934 H ALA 124 H ALA 124 -0.452 -18.813 4.548 935 HA ALA 124 HA ALA 124 0.461 -18.600 1.760 936 1HB ALA 124 1HB ALA 124 -1.792 -19.178 1.083 937 2HB ALA 124 2HB ALA 124 -2.306 -19.221 2.770 938 3HB ALA 124 3HB ALA 124 -1.138 -20.400 2.174 939 H ARG 125 H ARG 125 -0.267 -16.520 4.268 940 HA ARG 125 HA ARG 125 -1.739 -14.721 2.446 941 1HB ARG 125 2HB ARG 125 -1.858 -14.897 5.464 942 2HB ARG 125 1HB ARG 125 -2.692 -13.686 4.492 943 1HG ARG 125 2HG ARG 125 -4.000 -15.393 3.405 944 2HG ARG 125 1HG ARG 125 -3.097 -16.657 4.234 945 1HD ARG 125 2HD ARG 125 -3.964 -15.847 6.385 946 2HD ARG 125 1HD ARG 125 -4.889 -14.605 5.533 947 HE ARG 125 HE ARG 125 -5.738 -16.842 4.330 948 1HH1 ARG 125 1HH1 ARG 125 -5.439 -16.020 7.724 949 2HH1 ARG 125 2HH1 ARG 125 -6.725 -17.079 8.223 950 1HH2 ARG 125 1HH2 ARG 125 -7.413 -18.244 4.989 951 2HH2 ARG 125 2HH2 ARG 125 -7.845 -18.337 6.671 952 H ILE 126 H ILE 126 1.165 -15.330 3.717 953 HA ILE 126 HA ILE 126 1.993 -12.771 4.655 954 HB ILE 126 HB ILE 126 3.184 -14.750 5.397 955 1HG1 ILE 126 2HG1 ILE 126 4.971 -13.111 3.587 956 2HG1 ILE 126 1HG1 ILE 126 4.456 -12.631 5.200 957 1HG2 ILE 126 1HG2 ILE 126 4.552 -16.099 3.883 958 2HG2 ILE 126 2HG2 ILE 126 3.955 -15.163 2.512 959 3HG2 ILE 126 3HG2 ILE 126 2.844 -16.161 3.450 960 1HD1 ILE 126 1HD1 ILE 126 6.159 -15.016 4.518 961 2HD1 ILE 126 2HD1 ILE 126 5.620 -14.570 6.136 962 3HD1 ILE 126 3HD1 ILE 126 6.708 -13.505 5.244 963 H LYS 127 H LYS 127 1.828 -14.363 1.587 964 HA LYS 127 HA LYS 127 3.544 -12.475 0.237 965 1HB LYS 127 2HB LYS 127 1.763 -14.656 -0.859 966 2HB LYS 127 1HB LYS 127 2.911 -13.719 -1.804 967 1HG LYS 127 2HG LYS 127 4.751 -14.639 -0.511 968 2HG LYS 127 1HG LYS 127 3.612 -15.546 0.485 969 1HD LYS 127 2HD LYS 127 2.851 -16.759 -1.509 970 2HD LYS 127 1HD LYS 127 4.016 -15.869 -2.489 971 1HE LYS 127 2HE LYS 127 5.851 -16.842 -1.234 972 2HE LYS 127 1HE LYS 127 4.712 -17.673 -0.174 973 1HZ LYS 127 1HZ LYS 127 5.022 -18.132 -3.096 974 2HZ LYS 127 2HZ LYS 127 3.903 -18.915 -2.090 975 3HZ LYS 127 3HZ LYS 127 5.562 -19.166 -1.860 976 H CYS 128 H CYS 128 0.212 -12.844 0.989 977 HA CYS 128 HA CYS 128 -0.840 -11.034 -0.950 978 1HB CYS 128 2HB CYS 128 -1.947 -11.671 1.807 979 2HB CYS 128 1HB CYS 128 -2.836 -10.978 0.459 980 HG CYS 128 HG CYS 128 -1.486 -14.119 0.281 981 H ALA 129 H ALA 129 0.637 -10.841 2.182 982 HA ALA 129 HA ALA 129 0.006 -8.063 2.616 983 1HB ALA 129 1HB ALA 129 1.440 -8.287 4.601 984 2HB ALA 129 2HB ALA 129 1.892 -9.911 4.078 985 3HB ALA 129 3HB ALA 129 0.222 -9.559 4.521 986 H THR 130 H THR 130 2.882 -9.963 1.751 987 HA THR 130 HA THR 130 4.672 -7.803 1.720 988 HB THR 130 HB THR 130 6.076 -9.294 0.231 989 HG1 THR 130 1HG THR 130 5.299 -11.212 -0.368 990 1HG2 THR 130 1HG2 THR 130 6.327 -9.270 2.659 991 2HG2 THR 130 2HG2 THR 130 6.543 -10.902 2.026 992 3HG2 THR 130 3HG2 THR 130 5.030 -10.455 2.816 993 H LEU 131 H LEU 131 2.495 -9.051 -0.779 994 HA LEU 131 HA LEU 131 3.673 -7.544 -2.874 995 1HB LEU 131 2HB LEU 131 1.738 -8.052 -4.210 996 2HB LEU 131 1HB LEU 131 2.250 -9.482 -3.349 997 HG LEU 131 HG LEU 131 0.340 -8.772 -1.668 998 1HD1 LEU 131 1HD1 LEU 131 -0.590 -7.532 -4.258 999 2HD1 LEU 131 2HD1 LEU 131 -0.194 -6.654 -2.781 1000 3HD1 LEU 131 3HD1 LEU 131 -1.564 -7.763 -2.807 1001 1HD2 LEU 131 1HD2 LEU 131 -1.202 -10.195 -2.918 1002 2HD2 LEU 131 2HD2 LEU 131 0.432 -10.856 -2.936 1003 3HD2 LEU 131 3HD2 LEU 131 -0.198 -10.027 -4.357 1004 H SER 132 H SER 132 1.005 -6.881 -0.637 1005 HA SER 132 HA SER 132 0.412 -4.321 -1.756 1006 1HB SER 132 2HB SER 132 -0.126 -5.314 1.054 1007 2HB SER 132 1HB SER 132 -0.947 -3.988 0.231 1008 HG SER 132 HG SER 132 -1.104 -6.768 -0.289 1009 H TRP 133 H TRP 133 2.322 -5.421 0.994 1010 HA TRP 133 HA TRP 133 2.916 -2.886 2.056 1011 1HB TRP 133 2HB TRP 133 3.095 -4.745 3.499 1012 2HB TRP 133 1HB TRP 133 4.112 -5.628 2.374 1013 HD1 TRP 133 HD TRP 133 4.844 -2.030 3.619 1014 HE1 TRP 133 1HE TRP 133 7.096 -2.078 4.877 1015 HE3 TRP 133 3HE TRP 133 5.701 -7.072 3.547 1016 HZ2 TRP 133 2HZ TRP 133 8.964 -4.013 5.745 1017 HZ3 TRP 133 3HZ TRP 133 7.738 -7.939 4.620 1018 HH2 TRP 133 HH TRP 133 9.336 -6.439 5.696 1019 H LYS 134 H LYS 134 4.888 -5.090 0.057 1020 HA LYS 134 HA LYS 134 7.068 -3.243 0.031 1021 1HB LYS 134 2HB LYS 134 6.571 -5.851 -1.367 1022 2HB LYS 134 1HB LYS 134 7.968 -4.859 -1.765 1023 1HG LYS 134 2HG LYS 134 7.305 -5.974 0.954 1024 2HG LYS 134 1HG LYS 134 8.554 -6.567 -0.142 1025 1HD LYS 134 2HD LYS 134 9.682 -4.379 -0.003 1026 2HD LYS 134 1HD LYS 134 8.452 -3.829 1.137 1027 1HE LYS 134 2HE LYS 134 9.112 -5.600 2.693 1028 2HE LYS 134 1HE LYS 134 10.345 -6.143 1.558 1029 1HZ LYS 134 1HZ LYS 134 10.257 -3.570 3.039 1030 2HZ LYS 134 2HZ LYS 134 11.324 -3.857 1.755 1031 3HZ LYS 134 3HZ LYS 134 11.416 -4.798 3.160 1032 H ALA 135 H ALA 135 4.270 -3.657 -1.956 1033 HA ALA 135 HA ALA 135 5.168 -2.372 -4.283 1034 1HB ALA 135 1HB ALA 135 2.980 -3.490 -4.111 1035 2HB ALA 135 2HB ALA 135 2.837 -1.838 -4.712 1036 3HB ALA 135 3HB ALA 135 2.422 -2.206 -3.039 1037 H LEU 136 H LEU 136 3.864 -1.090 -1.252 1038 HA LEU 136 HA LEU 136 4.254 1.657 -2.159 1039 1HB LEU 136 2HB LEU 136 2.855 0.372 0.104 1040 2HB LEU 136 1HB LEU 136 3.597 1.918 0.461 1041 HG LEU 136 HG LEU 136 2.323 2.877 -1.492 1042 1HD1 LEU 136 1HD1 LEU 136 0.872 0.245 -1.332 1043 2HD1 LEU 136 2HD1 LEU 136 1.840 0.828 -2.686 1044 3HD1 LEU 136 3HD1 LEU 136 0.344 1.655 -2.251 1045 1HD2 LEU 136 1HD2 LEU 136 0.218 3.036 -0.246 1046 2HD2 LEU 136 2HD2 LEU 136 1.624 3.245 0.798 1047 3HD2 LEU 136 3HD2 LEU 136 0.746 1.715 0.796 1048 H GLU 137 H GLU 137 5.633 -0.697 -0.025 1049 HA GLU 137 HA GLU 137 7.430 0.924 1.407 1050 1HB GLU 137 2HB GLU 137 6.780 -1.380 2.038 1051 2HB GLU 137 1HB GLU 137 7.651 -1.997 0.644 1052 1HG GLU 137 2HG GLU 137 8.982 -2.342 2.578 1053 2HG GLU 137 1HG GLU 137 9.739 -1.084 1.605 1054 H LYS 138 H LYS 138 7.464 -0.269 -1.835 1055 HA LYS 138 HA LYS 138 10.273 0.624 -2.078 1056 1HB LYS 138 2HB LYS 138 9.991 -1.662 -2.811 1057 2HB LYS 138 1HB LYS 138 8.683 -1.192 -3.888 1058 1HG LYS 138 2HG LYS 138 10.169 0.003 -5.308 1059 2HG LYS 138 1HG LYS 138 11.493 -0.159 -4.154 1060 1HD LYS 138 2HD LYS 138 10.152 -2.480 -5.533 1061 2HD LYS 138 1HD LYS 138 11.632 -1.705 -6.103 1062 1HE LYS 138 2HE LYS 138 12.702 -2.241 -3.940 1063 2HE LYS 138 1HE LYS 138 11.237 -3.091 -3.452 1064 1HZ LYS 138 1HZ LYS 138 12.867 -3.790 -5.834 1065 2HZ LYS 138 2HZ LYS 138 11.543 -4.657 -5.223 1066 3HZ LYS 138 3HZ LYS 138 12.986 -4.569 -4.334 1067 H GLY 139 H GLY 139 7.059 0.996 -3.488 1068 1HA GLY 139 2HA GLY 139 7.754 2.400 -5.786 1069 2HA GLY 139 1HA GLY 139 6.199 2.500 -4.983 1070 H VAL 140 H VAL 140 6.835 3.759 -2.623 1071 HA VAL 140 HA VAL 140 7.768 6.381 -3.597 1072 HB VAL 140 HB VAL 140 5.991 7.394 -2.129 1073 1HG1 VAL 140 1HG1 VAL 140 5.718 7.286 -4.548 1074 2HG1 VAL 140 2HG1 VAL 140 4.175 7.047 -3.729 1075 3HG1 VAL 140 3HG1 VAL 140 5.035 5.664 -4.406 1076 1HG2 VAL 140 1HG2 VAL 140 4.079 5.976 -1.537 1077 2HG2 VAL 140 2HG2 VAL 140 5.554 5.478 -0.711 1078 3HG2 VAL 140 3HG2 VAL 140 4.965 4.561 -2.098 1079 H ALA 141 H ALA 141 8.220 3.982 -1.350 1080 HA ALA 141 HA ALA 141 9.300 5.881 0.613 1081 1HB ALA 141 1HB ALA 141 7.854 3.323 1.270 1082 2HB ALA 141 2HB ALA 141 7.159 4.940 1.387 1083 3HB ALA 141 3HB ALA 141 8.516 4.486 2.418 1084 H LYS 142 H LYS 142 10.996 4.985 1.978 1085 HA LYS 142 HA LYS 142 11.991 2.396 1.803 1086 1HB LYS 142 2HB LYS 142 12.640 3.310 -0.524 1087 2HB LYS 142 1HB LYS 142 13.833 4.274 0.338 1088 1HG LYS 142 2HG LYS 142 14.732 2.155 1.307 1089 2HG LYS 142 1HG LYS 142 13.641 1.271 0.242 1090 1HD LYS 142 2HD LYS 142 15.595 1.282 -0.985 1091 2HD LYS 142 1HD LYS 142 14.757 2.692 -1.633 1092 1HE LYS 142 2HE LYS 142 16.904 2.722 0.487 1093 2HE LYS 142 1HE LYS 142 17.120 3.166 -1.204 1094 1HZ LYS 142 1HZ LYS 142 16.876 5.146 0.038 1095 2HZ LYS 142 2HZ LYS 142 15.494 4.573 0.836 1096 3HZ LYS 142 3HZ LYS 142 15.425 4.934 -0.820 1097 H GLU 143 H GLU 143 11.442 3.865 3.898 1098 HA GLU 143 HA GLU 143 12.217 4.441 5.933 1099 1HB GLU 143 2HB GLU 143 14.856 3.334 4.970 1100 2HB GLU 143 1HB GLU 143 14.370 3.568 6.644 1101 1HG GLU 143 2HG GLU 143 12.647 1.898 6.421 1102 2HG GLU 143 1HG GLU 143 13.008 1.714 4.705 1103 H GLU 144 H GLU 144 15.465 4.930 4.848 1104 HA GLU 144 HA GLU 144 15.330 7.687 4.261 1105 1HB GLU 144 2HB GLU 144 14.707 7.783 6.672 1106 2HB GLU 144 1HB GLU 144 16.218 6.992 7.079 1107 1HG GLU 144 2HG GLU 144 16.246 9.562 5.564 1108 2HG GLU 144 1HG GLU 144 15.982 9.565 7.306 1109 H GLY 145 H GLY 145 17.489 5.668 6.238 1110 1HA GLY 145 2HA GLY 145 19.320 5.311 4.033 1111 2HA GLY 145 1HA GLY 145 19.916 6.373 5.306 1112 H GLY 146 H GLY 146 19.525 3.178 4.287 1113 1HA GLY 146 2HA GLY 146 21.099 2.161 6.413 1114 2HA GLY 146 1HA GLY 146 19.411 1.730 6.654 1115 H ASN 147 H ASN 147 22.281 1.159 4.853 1116 HA ASN 147 HA ASN 147 20.932 -0.693 3.029 1117 1HB ASN 147 2HB ASN 147 22.618 0.824 2.073 1118 2HB ASN 147 1HB ASN 147 23.834 0.164 3.161 1119 1HD2 ASN 147 1HD2 ASN 147 21.331 -1.638 1.444 1120 2HD2 ASN 147 2HD2 ASN 147 22.427 -2.568 0.473
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