NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10063 | 1p6s | 5778 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 17.884 6.137 -13.520 2 2H MET 1 2H MET 1 17.033 7.503 -14.062 3 3H MET 1 3H MET 1 16.288 5.975 -14.073 4 HA MET 1 HA MET 1 17.052 7.580 -11.683 5 1HB MET 1 2HB MET 1 14.811 7.505 -13.394 6 2HB MET 1 1HB MET 1 14.323 6.618 -11.951 7 1HG MET 1 2HG MET 1 14.895 8.478 -10.524 8 2HG MET 1 1HG MET 1 15.641 9.345 -11.867 9 1HE MET 1 1HE MET 1 11.342 9.212 -10.561 10 2HE MET 1 2HE MET 1 12.812 9.551 -9.651 11 3HE MET 1 3HE MET 1 12.518 7.925 -10.261 12 H ASN 2 H ASN 2 17.664 6.302 -9.996 13 HA ASN 2 HA ASN 2 16.262 3.799 -9.378 14 1HB ASN 2 2HB ASN 2 18.497 2.517 -9.495 15 2HB ASN 2 1HB ASN 2 17.740 2.913 -11.036 16 1HD2 ASN 2 1HD2 ASN 2 19.164 3.826 -12.524 17 2HD2 ASN 2 2HD2 ASN 2 20.557 4.711 -12.126 18 H GLU 3 H GLU 3 16.599 6.225 -7.929 19 HA GLU 3 HA GLU 3 18.392 5.342 -5.687 20 1HB GLU 3 2HB GLU 3 18.817 7.750 -5.322 21 2HB GLU 3 1HB GLU 3 19.242 7.288 -6.969 22 1HG GLU 3 2HG GLU 3 16.437 8.117 -6.703 23 2HG GLU 3 1HG GLU 3 17.577 9.392 -6.273 24 H VAL 4 H VAL 4 15.573 4.665 -5.954 25 HA VAL 4 HA VAL 4 14.106 6.494 -4.151 26 HB VAL 4 HB VAL 4 13.448 3.921 -5.619 27 1HG1 VAL 4 1HG1 VAL 4 11.277 3.952 -4.759 28 2HG1 VAL 4 2HG1 VAL 4 11.378 5.649 -4.295 29 3HG1 VAL 4 3HG1 VAL 4 12.215 4.425 -3.344 30 1HG2 VAL 4 1HG2 VAL 4 12.073 6.537 -6.060 31 2HG2 VAL 4 2HG2 VAL 4 12.455 5.263 -7.217 32 3HG2 VAL 4 3HG2 VAL 4 13.718 6.367 -6.673 33 H SER 5 H SER 5 14.200 6.238 -1.965 34 HA SER 5 HA SER 5 15.152 3.640 -0.833 35 1HB SER 5 2HB SER 5 15.028 6.516 0.062 36 2HB SER 5 1HB SER 5 15.230 5.233 1.252 37 HG SER 5 HG SER 5 17.226 6.081 0.414 38 H VAL 6 H VAL 6 14.022 3.193 1.429 39 HA VAL 6 HA VAL 6 11.132 2.994 0.910 40 HB VAL 6 HB VAL 6 13.014 2.062 3.095 41 1HG1 VAL 6 1HG1 VAL 6 10.757 0.628 3.529 42 2HG1 VAL 6 2HG1 VAL 6 10.043 2.158 3.020 43 3HG1 VAL 6 3HG1 VAL 6 11.133 2.110 4.405 44 1HG2 VAL 6 1HG2 VAL 6 12.244 -0.178 2.151 45 2HG2 VAL 6 2HG2 VAL 6 13.233 0.798 1.065 46 3HG2 VAL 6 3HG2 VAL 6 11.484 0.731 0.845 47 H ILE 7 H ILE 7 9.592 4.324 1.774 48 HA ILE 7 HA ILE 7 10.468 6.598 3.462 49 HB ILE 7 HB ILE 7 7.934 5.864 1.966 50 1HG1 ILE 7 2HG1 ILE 7 9.734 6.508 0.490 51 2HG1 ILE 7 1HG1 ILE 7 8.627 7.874 0.600 52 1HG2 ILE 7 1HG2 ILE 7 7.280 8.262 2.464 53 2HG2 ILE 7 2HG2 ILE 7 8.574 8.287 3.661 54 3HG2 ILE 7 3HG2 ILE 7 7.222 7.171 3.847 55 1HD1 ILE 7 1HD1 ILE 7 11.397 7.581 1.677 56 2HD1 ILE 7 2HD1 ILE 7 10.253 8.534 2.623 57 3HD1 ILE 7 3HD1 ILE 7 10.614 8.988 0.958 58 H LYS 8 H LYS 8 8.037 3.951 3.575 59 HA LYS 8 HA LYS 8 8.155 4.048 6.545 60 1HB LYS 8 2HB LYS 8 6.283 5.510 5.152 61 2HB LYS 8 1HB LYS 8 5.411 4.010 5.464 62 1HG LYS 8 2HG LYS 8 4.939 5.084 7.442 63 2HG LYS 8 1HG LYS 8 6.486 4.370 7.901 64 1HD LYS 8 2HD LYS 8 7.619 6.381 7.758 65 2HD LYS 8 1HD LYS 8 6.531 7.026 6.529 66 1HE LYS 8 2HE LYS 8 5.796 8.264 8.350 67 2HE LYS 8 1HE LYS 8 4.774 6.831 8.569 68 1HZ LYS 8 1HZ LYS 8 6.385 5.876 10.030 69 2HZ LYS 8 2HZ LYS 8 6.058 7.447 10.585 70 3HZ LYS 8 3HZ LYS 8 7.494 7.127 9.733 71 H GLU 9 H GLU 9 7.874 2.022 7.420 72 HA GLU 9 HA GLU 9 6.822 -0.166 5.645 73 1HB GLU 9 2HB GLU 9 9.152 -0.015 7.574 74 2HB GLU 9 1HB GLU 9 8.478 -1.564 7.066 75 1HG GLU 9 2HG GLU 9 9.146 -1.287 4.852 76 2HG GLU 9 1HG GLU 9 9.187 0.470 4.975 77 H GLY 10 H GLY 10 5.070 -1.241 6.548 78 1HA GLY 10 2HA GLY 10 4.834 -1.530 9.458 79 2HA GLY 10 1HA GLY 10 3.639 -0.446 8.752 80 H TRP 11 H TRP 11 2.699 -2.669 10.004 81 HA TRP 11 HA TRP 11 2.244 -4.799 7.985 82 1HB TRP 11 2HB TRP 11 1.691 -4.368 10.920 83 2HB TRP 11 1HB TRP 11 0.901 -5.684 10.052 84 HD1 TRP 11 HD TRP 11 4.305 -4.508 11.281 85 HE1 TRP 11 1HE TRP 11 5.985 -6.454 11.092 86 HE3 TRP 11 3HE TRP 11 1.457 -7.891 8.723 87 HZ2 TRP 11 2HZ TRP 11 6.107 -9.093 9.999 88 HZ3 TRP 11 3HZ TRP 11 2.382 -10.110 8.120 89 HH2 TRP 11 HH TRP 11 4.704 -10.714 8.752 90 H LEU 12 H LEU 12 0.286 -5.060 6.915 91 HA LEU 12 HA LEU 12 -1.942 -3.160 7.617 92 1HB LEU 12 2HB LEU 12 -0.864 -4.086 4.936 93 2HB LEU 12 1HB LEU 12 -2.378 -3.204 5.113 94 HG LEU 12 HG LEU 12 0.306 -2.188 6.096 95 1HD1 LEU 12 1HD1 LEU 12 -0.398 -2.427 3.474 96 2HD1 LEU 12 2HD1 LEU 12 0.635 -1.141 4.095 97 3HD1 LEU 12 3HD1 LEU 12 -1.087 -0.850 3.851 98 1HD2 LEU 12 1HD2 LEU 12 -2.494 -1.294 6.330 99 2HD2 LEU 12 2HD2 LEU 12 -1.390 -0.045 5.757 100 3HD2 LEU 12 3HD2 LEU 12 -1.089 -0.848 7.297 101 H HIS 13 H HIS 13 -4.092 -4.028 7.334 102 HA HIS 13 HA HIS 13 -4.177 -7.013 7.395 103 1HB HIS 13 2HB HIS 13 -5.675 -4.747 8.566 104 2HB HIS 13 1HB HIS 13 -6.674 -6.112 8.069 105 HD1 HIS 13 1HD HIS 13 -6.622 -8.183 9.528 106 HD2 HIS 13 2HD HIS 13 -3.569 -5.497 10.471 107 HE1 HIS 13 1HE HIS 13 -5.520 -9.059 11.634 108 H LYS 14 H LYS 14 -4.750 -8.021 5.533 109 HA LYS 14 HA LYS 14 -6.653 -6.633 3.667 110 1HB LYS 14 2HB LYS 14 -4.380 -6.727 2.769 111 2HB LYS 14 1HB LYS 14 -4.279 -8.450 3.125 112 1HG LYS 14 2HG LYS 14 -4.773 -8.193 0.764 113 2HG LYS 14 1HG LYS 14 -6.212 -8.827 1.563 114 1HD LYS 14 2HD LYS 14 -6.653 -6.146 1.800 115 2HD LYS 14 1HD LYS 14 -5.770 -6.195 0.274 116 1HE LYS 14 2HE LYS 14 -7.378 -8.069 -0.436 117 2HE LYS 14 1HE LYS 14 -8.362 -7.604 0.964 118 1HZ LYS 14 1HZ LYS 14 -9.133 -6.279 -0.801 119 2HZ LYS 14 2HZ LYS 14 -7.563 -5.923 -1.343 120 3HZ LYS 14 3HZ LYS 14 -8.138 -5.246 0.109 121 H ARG 15 H ARG 15 -8.427 -7.858 3.044 122 HA ARG 15 HA ARG 15 -9.208 -10.183 4.510 123 1HB ARG 15 2HB ARG 15 -10.455 -8.367 2.992 124 2HB ARG 15 1HB ARG 15 -10.287 -9.630 1.776 125 1HG ARG 15 2HG ARG 15 -11.338 -10.332 4.504 126 2HG ARG 15 1HG ARG 15 -12.416 -9.596 3.318 127 1HD ARG 15 2HD ARG 15 -10.747 -12.068 2.739 128 2HD ARG 15 1HD ARG 15 -12.436 -12.128 3.265 129 HE ARG 15 HE ARG 15 -11.466 -10.983 0.690 130 1HH1 ARG 15 1HH2 ARG 15 -14.098 -11.772 2.846 131 2HH1 ARG 15 2HH2 ARG 15 -15.301 -11.605 1.617 132 1HH2 ARG 15 1HH1 ARG 15 -13.056 -10.778 -0.888 133 2HH2 ARG 15 2HH1 ARG 15 -14.718 -11.047 -0.483 134 H GLY 16 H GLY 16 -8.938 -12.366 4.091 135 1HA GLY 16 2HA GLY 16 -8.183 -13.384 1.470 136 2HA GLY 16 1HA GLY 16 -6.837 -13.410 2.612 137 H GLU 17 H GLU 17 -10.336 -14.203 2.733 138 HA GLU 17 HA GLU 17 -9.723 -16.977 3.527 139 1HB GLU 17 2HB GLU 17 -9.620 -15.203 5.513 140 2HB GLU 17 1HB GLU 17 -11.375 -15.367 5.449 141 1HG GLU 17 2HG GLU 17 -10.907 -17.086 6.915 142 2HG GLU 17 1HG GLU 17 -10.751 -17.969 5.399 143 H TYR 18 H TYR 18 -11.746 -18.265 3.700 144 HA TYR 18 HA TYR 18 -13.653 -17.705 1.653 145 1HB TYR 18 2HB TYR 18 -14.860 -19.633 2.646 146 2HB TYR 18 1HB TYR 18 -13.135 -19.951 2.513 147 HD1 TYR 18 1HD TYR 18 -11.770 -20.286 4.464 148 HD2 TYR 18 2HD TYR 18 -15.865 -19.051 4.866 149 HE1 TYR 18 1HE TYR 18 -11.675 -20.762 6.893 150 HE2 TYR 18 2HE TYR 18 -15.767 -19.524 7.297 151 HH TYR 18 HH TYR 18 -12.956 -19.913 8.983 152 H ILE 19 H ILE 19 -13.550 -16.674 5.000 153 HA ILE 19 HA ILE 19 -16.357 -15.654 4.793 154 HB ILE 19 HB ILE 19 -15.400 -17.246 6.655 155 1HG1 ILE 19 2HG1 ILE 19 -16.695 -15.352 8.287 156 2HG1 ILE 19 1HG1 ILE 19 -17.362 -15.111 6.673 157 1HG2 ILE 19 1HG2 ILE 19 -13.492 -15.427 6.977 158 2HG2 ILE 19 2HG2 ILE 19 -14.115 -16.345 8.346 159 3HG2 ILE 19 3HG2 ILE 19 -14.686 -14.703 8.054 160 1HD1 ILE 19 1HD1 ILE 19 -17.102 -17.846 7.941 161 2HD1 ILE 19 2HD1 ILE 19 -18.028 -17.405 6.507 162 3HD1 ILE 19 3HD1 ILE 19 -18.552 -16.854 8.098 163 H LYS 20 H LYS 20 -16.058 -13.575 6.757 164 HA LYS 20 HA LYS 20 -14.567 -11.589 5.134 165 1HB LYS 20 2HB LYS 20 -16.760 -11.604 7.175 166 2HB LYS 20 1HB LYS 20 -15.817 -10.125 6.986 167 1HG LYS 20 2HG LYS 20 -16.640 -9.702 4.894 168 2HG LYS 20 1HG LYS 20 -16.711 -11.411 4.465 169 1HD LYS 20 2HD LYS 20 -18.636 -11.482 6.265 170 2HD LYS 20 1HD LYS 20 -18.720 -9.748 5.949 171 1HE LYS 20 2HE LYS 20 -18.796 -10.402 3.437 172 2HE LYS 20 1HE LYS 20 -19.201 -12.027 4.023 173 1HZ LYS 20 1HZ LYS 20 -21.224 -10.780 3.749 174 2HZ LYS 20 2HZ LYS 20 -20.619 -9.497 4.685 175 3HZ LYS 20 3HZ LYS 20 -20.950 -11.000 5.408 176 H THR 21 H THR 21 -12.515 -12.787 6.064 177 HA THR 21 HA THR 21 -11.772 -11.528 8.689 178 HB THR 21 HB THR 21 -10.728 -14.060 7.381 179 HG1 THR 21 1HG THR 21 -12.576 -13.591 9.479 180 1HG2 THR 21 1HG2 THR 21 -10.061 -12.565 9.890 181 2HG2 THR 21 2HG2 THR 21 -8.987 -13.397 8.765 182 3HG2 THR 21 3HG2 THR 21 -9.966 -14.326 9.900 183 H TRP 22 H TRP 22 -9.794 -10.443 8.775 184 HA TRP 22 HA TRP 22 -8.397 -10.023 6.151 185 1HB TRP 22 2HB TRP 22 -8.787 -8.206 8.560 186 2HB TRP 22 1HB TRP 22 -7.884 -7.770 7.112 187 HD1 TRP 22 HD TRP 22 -11.447 -9.018 8.001 188 HE1 TRP 22 1HE TRP 22 -13.115 -7.889 6.401 189 HE3 TRP 22 3HE TRP 22 -8.211 -6.344 5.088 190 HZ2 TRP 22 2HZ TRP 22 -13.091 -6.084 4.187 191 HZ3 TRP 22 3HZ TRP 22 -9.064 -4.925 3.244 192 HH2 TRP 22 HH TRP 22 -11.498 -4.793 2.791 193 H ARG 23 H ARG 23 -6.250 -10.594 6.111 194 HA ARG 23 HA ARG 23 -4.964 -11.399 8.685 195 1HB ARG 23 2HB ARG 23 -4.253 -11.963 5.788 196 2HB ARG 23 1HB ARG 23 -3.492 -12.701 7.198 197 1HG ARG 23 2HG ARG 23 -6.305 -13.038 7.490 198 2HG ARG 23 1HG ARG 23 -5.892 -13.506 5.841 199 1HD ARG 23 2HD ARG 23 -4.596 -15.291 6.525 200 2HD ARG 23 1HD ARG 23 -4.106 -14.496 8.032 201 HE ARG 23 HE ARG 23 -6.602 -16.005 7.605 202 1HH1 ARG 23 1HH2 ARG 23 -4.848 -13.699 9.544 203 2HH1 ARG 23 2HH2 ARG 23 -5.832 -13.953 10.942 204 1HH2 ARG 23 1HH1 ARG 23 -7.871 -16.319 9.430 205 2HH2 ARG 23 2HH1 ARG 23 -7.537 -15.434 10.881 206 HA PRO 24 HA PRO 24 -2.308 -7.884 8.421 207 1HB PRO 24 2HB PRO 24 -0.330 -8.741 10.107 208 2HB PRO 24 1HB PRO 24 -1.916 -8.184 10.677 209 1HG PRO 24 2HG PRO 24 -0.885 -10.952 10.355 210 2HG PRO 24 1HG PRO 24 -1.946 -10.279 11.599 211 1HD PRO 24 2HD PRO 24 -2.816 -11.796 9.490 212 2HD PRO 24 1HD PRO 24 -3.827 -10.618 10.356 213 H ARG 25 H ARG 25 -0.724 -7.313 6.988 214 HA ARG 25 HA ARG 25 1.235 -9.383 6.055 215 1HB ARG 25 2HB ARG 25 -0.954 -8.256 4.662 216 2HB ARG 25 1HB ARG 25 0.480 -7.457 4.020 217 1HG ARG 25 2HG ARG 25 0.502 -9.319 2.672 218 2HG ARG 25 1HG ARG 25 1.402 -9.975 4.038 219 1HD ARG 25 2HD ARG 25 -0.180 -11.595 4.179 220 2HD ARG 25 1HD ARG 25 -1.313 -10.339 4.710 221 HE ARG 25 HE ARG 25 -2.261 -10.355 2.547 222 1HH1 ARG 25 1HH2 ARG 25 0.926 -11.749 2.472 223 2HH1 ARG 25 2HH2 ARG 25 0.769 -12.320 0.851 224 1HH2 ARG 25 1HH1 ARG 25 -2.443 -11.102 0.429 225 2HH2 ARG 25 2HH1 ARG 25 -1.126 -11.950 -0.303 226 H TYR 26 H TYR 26 3.335 -8.575 5.848 227 HA TYR 26 HA TYR 26 3.921 -5.956 6.994 228 1HB TYR 26 2HB TYR 26 5.298 -8.008 7.300 229 2HB TYR 26 1HB TYR 26 5.672 -7.999 5.579 230 HD1 TYR 26 1HD TYR 26 5.581 -5.388 8.291 231 HD2 TYR 26 2HD TYR 26 7.821 -7.258 5.138 232 HE1 TYR 26 1HE TYR 26 7.465 -3.827 8.701 233 HE2 TYR 26 2HE TYR 26 9.703 -5.698 5.549 234 HH TYR 26 HH TYR 26 10.451 -4.285 7.825 235 H PHE 27 H PHE 27 3.414 -4.195 5.718 236 HA PHE 27 HA PHE 27 4.001 -4.305 2.793 237 1HB PHE 27 2HB PHE 27 2.168 -2.840 4.631 238 2HB PHE 27 1HB PHE 27 2.698 -1.977 3.189 239 HD1 PHE 27 1HD PHE 27 1.933 -2.602 1.002 240 HD2 PHE 27 2HD PHE 27 0.973 -5.032 4.409 241 HE1 PHE 27 1HE PHE 27 0.289 -3.860 -0.362 242 HE2 PHE 27 2HE PHE 27 -0.670 -6.293 3.046 243 HZ PHE 27 HZ PHE 27 -1.014 -5.707 0.661 244 H LEU 28 H LEU 28 5.495 -2.916 1.859 245 HA LEU 28 HA LEU 28 6.981 -1.043 3.687 246 1HB LEU 28 2HB LEU 28 7.979 -2.744 1.371 247 2HB LEU 28 1HB LEU 28 8.974 -1.646 2.326 248 HG LEU 28 HG LEU 28 7.806 -3.157 4.294 249 1HD1 LEU 28 1HD1 LEU 28 8.091 -4.825 1.797 250 2HD1 LEU 28 2HD1 LEU 28 6.748 -4.773 2.938 251 3HD1 LEU 28 3HD1 LEU 28 8.264 -5.549 3.396 252 1HD2 LEU 28 1HD2 LEU 28 9.998 -3.414 4.750 253 2HD2 LEU 28 2HD2 LEU 28 10.373 -2.748 3.162 254 3HD2 LEU 28 3HD2 LEU 28 10.192 -4.490 3.367 255 H LEU 29 H LEU 29 6.739 1.058 3.005 256 HA LEU 29 HA LEU 29 5.855 1.574 0.204 257 1HB LEU 29 2HB LEU 29 4.658 2.395 2.325 258 2HB LEU 29 1HB LEU 29 6.014 3.507 2.524 259 HG LEU 29 HG LEU 29 4.937 3.502 -0.204 260 1HD1 LEU 29 1HD1 LEU 29 2.882 4.782 0.428 261 2HD1 LEU 29 2HD1 LEU 29 3.169 4.341 2.112 262 3HD1 LEU 29 3HD1 LEU 29 2.818 3.090 0.920 263 1HD2 LEU 29 1HD2 LEU 29 5.193 5.873 0.046 264 2HD2 LEU 29 2HD2 LEU 29 6.548 5.144 0.907 265 3HD2 LEU 29 3HD2 LEU 29 5.162 5.758 1.806 266 H LYS 30 H LYS 30 7.184 2.597 -1.241 267 HA LYS 30 HA LYS 30 9.880 3.470 -0.276 268 1HB LYS 30 2HB LYS 30 8.705 2.341 -2.790 269 2HB LYS 30 1HB LYS 30 10.151 3.342 -2.923 270 1HG LYS 30 2HG LYS 30 10.372 1.430 -0.734 271 2HG LYS 30 1HG LYS 30 10.077 0.623 -2.275 272 1HD LYS 30 2HD LYS 30 12.074 2.830 -2.298 273 2HD LYS 30 1HD LYS 30 12.547 1.349 -1.466 274 1HE LYS 30 2HE LYS 30 11.749 0.095 -3.575 275 2HE LYS 30 1HE LYS 30 11.752 1.682 -4.370 276 1HZ LYS 30 1HZ LYS 30 14.021 1.995 -3.876 277 2HZ LYS 30 2HZ LYS 30 13.913 0.404 -4.464 278 3HZ LYS 30 3HZ LYS 30 14.062 0.686 -2.796 279 H SER 31 H SER 31 10.802 5.326 -1.698 280 HA SER 31 HA SER 31 9.007 7.630 -1.495 281 1HB SER 31 2HB SER 31 11.705 7.162 -1.296 282 2HB SER 31 1HB SER 31 11.596 7.891 -2.895 283 HG SER 31 HG SER 31 10.748 9.701 -2.018 284 H ASP 32 H ASP 32 9.164 5.288 -3.840 285 HA ASP 32 HA ASP 32 9.038 7.077 -6.198 286 1HB ASP 32 2HB ASP 32 10.186 4.775 -5.993 287 2HB ASP 32 1HB ASP 32 8.563 4.091 -6.044 288 H GLY 33 H GLY 33 6.861 6.369 -3.829 289 1HA GLY 33 2HA GLY 33 4.533 6.746 -3.788 290 2HA GLY 33 1HA GLY 33 4.567 6.950 -5.541 291 H SER 34 H SER 34 5.827 4.171 -3.734 292 HA SER 34 HA SER 34 3.533 2.486 -4.570 293 1HB SER 34 2HB SER 34 5.841 2.833 -6.152 294 2HB SER 34 1HB SER 34 6.048 1.266 -5.374 295 HG SER 34 HG SER 34 4.731 1.546 -7.457 296 H PHE 35 H PHE 35 3.265 0.771 -3.135 297 HA PHE 35 HA PHE 35 5.554 0.111 -1.337 298 1HB PHE 35 2HB PHE 35 3.886 -0.004 0.547 299 2HB PHE 35 1HB PHE 35 4.146 1.612 -0.089 300 HD1 PHE 35 1HD PHE 35 1.735 -0.936 0.635 301 HD2 PHE 35 2HD PHE 35 2.444 2.525 -1.805 302 HE1 PHE 35 1HE PHE 35 -0.705 -0.680 0.293 303 HE2 PHE 35 2HE PHE 35 0.001 2.776 -2.156 304 HZ PHE 35 HZ PHE 35 -1.574 1.178 -1.097 305 H ILE 36 H ILE 36 5.804 -2.056 -0.930 306 HA ILE 36 HA ILE 36 3.951 -3.903 -2.375 307 HB ILE 36 HB ILE 36 6.854 -3.868 -1.582 308 1HG1 ILE 36 2HG1 ILE 36 6.865 -4.754 -4.063 309 2HG1 ILE 36 1HG1 ILE 36 5.219 -4.123 -4.093 310 1HG2 ILE 36 1HG2 ILE 36 5.452 -6.350 -2.600 311 2HG2 ILE 36 2HG2 ILE 36 5.808 -6.091 -0.893 312 3HG2 ILE 36 3HG2 ILE 36 7.122 -6.196 -2.060 313 1HD1 ILE 36 1HD1 ILE 36 5.908 -1.924 -3.831 314 2HD1 ILE 36 2HD1 ILE 36 7.265 -2.574 -4.752 315 3HD1 ILE 36 3HD1 ILE 36 7.399 -2.379 -3.004 316 H GLY 37 H GLY 37 3.013 -5.655 -1.318 317 1HA GLY 37 2HA GLY 37 3.152 -5.628 1.659 318 2HA GLY 37 1HA GLY 37 1.818 -6.284 0.712 319 H TYR 38 H TYR 38 3.983 -7.347 2.731 320 HA TYR 38 HA TYR 38 4.729 -9.797 1.156 321 1HB TYR 38 2HB TYR 38 6.089 -8.036 3.131 322 2HB TYR 38 1HB TYR 38 6.376 -9.762 3.327 323 HD1 TYR 38 1HD TYR 38 6.926 -6.828 1.208 324 HD2 TYR 38 2HD TYR 38 7.433 -11.081 1.526 325 HE1 TYR 38 1HE TYR 38 8.567 -6.772 -0.648 326 HE2 TYR 38 2HE TYR 38 9.071 -11.026 -0.331 327 HH TYR 38 HH TYR 38 10.585 -9.420 -1.412 328 H LYS 39 H LYS 39 4.052 -11.774 2.036 329 HA LYS 39 HA LYS 39 1.976 -11.912 3.992 330 1HB LYS 39 2HB LYS 39 2.410 -13.656 2.332 331 2HB LYS 39 1HB LYS 39 4.011 -13.948 3.010 332 1HG LYS 39 2HG LYS 39 2.802 -14.495 5.213 333 2HG LYS 39 1HG LYS 39 1.323 -14.550 4.256 334 1HD LYS 39 2HD LYS 39 1.847 -16.707 3.824 335 2HD LYS 39 1HD LYS 39 3.106 -16.076 2.764 336 1HE LYS 39 2HE LYS 39 4.744 -16.152 4.575 337 2HE LYS 39 1HE LYS 39 3.488 -16.642 5.729 338 1HZ LYS 39 1HZ LYS 39 4.719 -18.557 4.821 339 2HZ LYS 39 2HZ LYS 39 4.198 -18.143 3.257 340 3HZ LYS 39 3HZ LYS 39 3.068 -18.616 4.436 341 H GLU 40 H GLU 40 5.483 -12.540 4.282 342 HA GLU 40 HA GLU 40 5.241 -12.198 7.255 343 1HB GLU 40 2HB GLU 40 6.171 -14.384 5.609 344 2HB GLU 40 1HB GLU 40 7.511 -13.774 6.578 345 1HG GLU 40 2HG GLU 40 4.900 -14.098 7.973 346 2HG GLU 40 1HG GLU 40 5.747 -15.579 7.526 347 H ARG 41 H ARG 41 8.119 -12.259 7.621 348 HA ARG 41 HA ARG 41 8.873 -9.701 6.244 349 1HB ARG 41 2HB ARG 41 9.152 -10.748 9.044 350 2HB ARG 41 1HB ARG 41 10.333 -9.580 8.449 351 1HG ARG 41 2HG ARG 41 8.411 -8.100 7.763 352 2HG ARG 41 1HG ARG 41 7.328 -9.221 8.585 353 1HD ARG 41 2HD ARG 41 9.664 -7.815 9.930 354 2HD ARG 41 1HD ARG 41 7.971 -7.293 10.048 355 HE ARG 41 HE ARG 41 7.948 -10.022 10.686 356 1HH1 ARG 41 1HH2 ARG 41 9.456 -7.129 11.891 357 2HH1 ARG 41 2HH2 ARG 41 9.546 -7.711 13.517 358 1HH2 ARG 41 1HH1 ARG 41 8.067 -10.772 12.805 359 2HH2 ARG 41 2HH1 ARG 41 8.761 -9.770 14.035 360 HA PRO 42 HA PRO 42 11.985 -13.066 5.241 361 1HB PRO 42 2HB PRO 42 11.840 -12.831 2.517 362 2HB PRO 42 1HB PRO 42 10.785 -13.914 3.448 363 1HG PRO 42 2HG PRO 42 10.212 -11.226 2.311 364 2HG PRO 42 1HG PRO 42 9.172 -12.655 2.414 365 1HD PRO 42 2HD PRO 42 8.981 -10.522 4.106 366 2HD PRO 42 1HD PRO 42 8.504 -12.175 4.545 367 H GLU 43 H GLU 43 14.166 -12.586 4.608 368 HA GLU 43 HA GLU 43 14.874 -10.096 3.240 369 1HB GLU 43 2HB GLU 43 14.216 -9.923 5.914 370 2HB GLU 43 1HB GLU 43 15.969 -10.097 5.971 371 1HG GLU 43 2HG GLU 43 15.840 -7.806 5.708 372 2HG GLU 43 1HG GLU 43 15.838 -8.284 4.011 373 H ALA 44 H ALA 44 15.554 -12.896 2.912 374 HA ALA 44 HA ALA 44 18.188 -13.427 4.023 375 1HB ALA 44 1HB ALA 44 18.067 -15.349 2.428 376 2HB ALA 44 2HB ALA 44 16.590 -14.654 1.760 377 3HB ALA 44 3HB ALA 44 16.628 -15.203 3.436 378 HA PRO 45 HA PRO 45 20.345 -11.034 0.944 379 1HB PRO 45 2HB PRO 45 22.859 -11.584 1.863 380 2HB PRO 45 1HB PRO 45 21.775 -10.424 2.654 381 1HG PRO 45 2HG PRO 45 22.470 -13.195 3.434 382 2HG PRO 45 1HG PRO 45 22.089 -11.796 4.447 383 1HD PRO 45 2HD PRO 45 20.347 -13.876 3.864 384 2HD PRO 45 1HD PRO 45 19.868 -12.271 4.455 385 H ASP 46 H ASP 46 20.743 -14.456 1.569 386 HA ASP 46 HA ASP 46 22.453 -14.891 -0.814 387 1HB ASP 46 2HB ASP 46 21.191 -16.931 1.038 388 2HB ASP 46 1HB ASP 46 22.646 -17.116 0.061 389 H GLN 47 H GLN 47 19.087 -15.019 0.097 390 HA GLN 47 HA GLN 47 18.378 -15.936 -2.643 391 1HB GLN 47 2HB GLN 47 16.765 -17.554 -1.621 392 2HB GLN 47 1HB GLN 47 18.436 -17.934 -1.209 393 1HG GLN 47 2HG GLN 47 18.163 -17.382 1.004 394 2HG GLN 47 1HG GLN 47 17.001 -16.106 0.650 395 1HE2 GLN 47 1HE2 GLN 47 14.891 -17.252 -0.556 396 2HE2 GLN 47 2HE2 GLN 47 14.264 -18.555 0.333 397 H THR 48 H THR 48 18.086 -13.415 -2.331 398 HA THR 48 HA THR 48 16.172 -12.131 -0.799 399 HB THR 48 HB THR 48 17.688 -11.122 -2.488 400 HG1 THR 48 1HG THR 48 16.241 -9.553 -3.123 401 1HG2 THR 48 1HG2 THR 48 17.429 -11.399 -4.773 402 2HG2 THR 48 2HG2 THR 48 15.713 -11.781 -4.637 403 3HG2 THR 48 3HG2 THR 48 16.921 -12.987 -4.199 404 H LEU 49 H LEU 49 13.979 -12.210 -0.604 405 HA LEU 49 HA LEU 49 12.464 -14.114 -2.300 406 1HB LEU 49 2HB LEU 49 11.868 -12.579 0.248 407 2HB LEU 49 1HB LEU 49 10.730 -13.694 -0.510 408 HG LEU 49 HG LEU 49 12.983 -15.237 -0.438 409 1HD1 LEU 49 1HD1 LEU 49 14.498 -14.291 0.944 410 2HD1 LEU 49 2HD1 LEU 49 13.381 -14.652 2.260 411 3HD1 LEU 49 3HD1 LEU 49 13.348 -13.068 1.486 412 1HD2 LEU 49 1HD2 LEU 49 11.881 -15.944 1.913 413 2HD2 LEU 49 2HD2 LEU 49 11.104 -16.295 0.369 414 3HD2 LEU 49 3HD2 LEU 49 10.594 -14.897 1.315 415 HA PRO 50 HA PRO 50 10.768 -10.814 -4.721 416 1HB PRO 50 2HB PRO 50 8.715 -12.217 -5.870 417 2HB PRO 50 1HB PRO 50 10.409 -12.389 -6.371 418 1HG PRO 50 2HG PRO 50 8.772 -14.137 -4.601 419 2HG PRO 50 1HG PRO 50 9.966 -14.579 -5.832 420 1HD PRO 50 2HD PRO 50 10.498 -14.592 -3.164 421 2HD PRO 50 1HD PRO 50 11.736 -14.297 -4.405 422 HA PRO 51 HA PRO 51 7.414 -9.239 -2.328 423 1HB PRO 51 2HB PRO 51 6.256 -7.549 -4.137 424 2HB PRO 51 1HB PRO 51 7.808 -7.206 -3.349 425 1HG PRO 51 2HG PRO 51 7.264 -8.239 -6.082 426 2HG PRO 51 1HG PRO 51 8.500 -7.100 -5.530 427 1HD PRO 51 2HD PRO 51 8.990 -9.734 -6.072 428 2HD PRO 51 1HD PRO 51 9.948 -8.761 -4.935 429 H LEU 52 H LEU 52 5.354 -9.964 -1.846 430 HA LEU 52 HA LEU 52 3.998 -11.761 -3.751 431 1HB LEU 52 2HB LEU 52 4.011 -11.132 -0.878 432 2HB LEU 52 1HB LEU 52 2.393 -11.444 -1.508 433 HG LEU 52 HG LEU 52 3.517 -13.502 -2.670 434 1HD1 LEU 52 1HD1 LEU 52 5.450 -12.927 -0.401 435 2HD1 LEU 52 2HD1 LEU 52 5.832 -12.869 -2.121 436 3HD1 LEU 52 3HD1 LEU 52 5.417 -14.406 -1.363 437 1HD2 LEU 52 1HD2 LEU 52 3.212 -13.536 0.347 438 2HD2 LEU 52 2HD2 LEU 52 2.950 -14.876 -0.769 439 3HD2 LEU 52 3HD2 LEU 52 1.843 -13.504 -0.766 440 H ASN 53 H ASN 53 3.148 -8.749 -1.987 441 HA ASN 53 HA ASN 53 0.953 -8.289 -3.983 442 1HB ASN 53 2HB ASN 53 1.407 -7.572 -1.085 443 2HB ASN 53 1HB ASN 53 0.215 -6.702 -2.051 444 1HD2 ASN 53 1HD2 ASN 53 -1.730 -7.839 -2.679 445 2HD2 ASN 53 2HD2 ASN 53 -2.106 -9.383 -2.083 446 H ASN 54 H ASN 54 1.118 -6.477 -5.285 447 HA ASN 54 HA ASN 54 3.304 -4.509 -4.653 448 1HB ASN 54 2HB ASN 54 3.090 -6.242 -6.772 449 2HB ASN 54 1HB ASN 54 2.343 -4.790 -7.437 450 1HD2 ASN 54 1HD2 ASN 54 3.744 -3.116 -8.098 451 2HD2 ASN 54 2HD2 ASN 54 5.412 -3.095 -7.786 452 H PHE 55 H PHE 55 2.260 -2.697 -3.855 453 HA PHE 55 HA PHE 55 -0.289 -1.831 -5.181 454 1HB PHE 55 2HB PHE 55 0.276 -2.340 -2.564 455 2HB PHE 55 1HB PHE 55 0.629 -0.615 -2.634 456 HD1 PHE 55 1HD PHE 55 -1.236 0.637 -4.305 457 HD2 PHE 55 2HD PHE 55 -1.870 -2.808 -1.816 458 HE1 PHE 55 1HE PHE 55 -3.663 1.135 -4.229 459 HE2 PHE 55 2HE PHE 55 -4.296 -2.307 -1.743 460 HZ PHE 55 HZ PHE 55 -5.194 -0.336 -2.948 461 H SER 56 H SER 56 -0.066 -0.108 -6.551 462 HA SER 56 HA SER 56 2.229 1.778 -6.122 463 1HB SER 56 2HB SER 56 2.194 0.360 -8.195 464 2HB SER 56 1HB SER 56 0.673 1.125 -8.645 465 HG SER 56 HG SER 56 2.935 1.994 -9.332 466 H VAL 57 H VAL 57 1.732 3.922 -5.795 467 HA VAL 57 HA VAL 57 -1.118 4.770 -6.203 468 HB VAL 57 HB VAL 57 -0.327 4.448 -3.833 469 1HG1 VAL 57 1HG1 VAL 57 1.138 6.656 -3.219 470 2HG1 VAL 57 2HG1 VAL 57 1.782 6.280 -4.817 471 3HG1 VAL 57 3HG1 VAL 57 1.845 5.073 -3.534 472 1HG2 VAL 57 1HG2 VAL 57 -1.996 6.301 -4.775 473 2HG2 VAL 57 2HG2 VAL 57 -0.748 7.390 -4.170 474 3HG2 VAL 57 3HG2 VAL 57 -1.542 6.261 -3.072 475 H ALA 58 H ALA 58 1.244 5.007 -8.079 476 HA ALA 58 HA ALA 58 2.170 7.754 -8.105 477 1HB ALA 58 1HB ALA 58 3.426 6.060 -9.238 478 2HB ALA 58 2HB ALA 58 2.735 7.061 -10.515 479 3HB ALA 58 3HB ALA 58 2.008 5.503 -10.125 480 H GLU 59 H GLU 59 -0.460 6.028 -9.813 481 HA GLU 59 HA GLU 59 -1.504 8.665 -10.788 482 1HB GLU 59 2HB GLU 59 -1.476 5.839 -11.787 483 2HB GLU 59 1HB GLU 59 -2.821 6.874 -12.265 484 1HG GLU 59 2HG GLU 59 -1.415 8.402 -13.377 485 2HG GLU 59 1HG GLU 59 0.024 7.837 -12.527 486 H CYS 60 H CYS 60 -3.984 8.648 -10.977 487 HA CYS 60 HA CYS 60 -6.087 8.586 -9.926 488 1HB CYS 60 2HB CYS 60 -4.880 5.900 -9.813 489 2HB CYS 60 1HB CYS 60 -6.167 6.153 -8.635 490 H GLN 61 H GLN 61 -6.912 7.519 -7.452 491 HA GLN 61 HA GLN 61 -5.024 8.529 -5.397 492 1HB GLN 61 2HB GLN 61 -6.366 10.345 -4.767 493 2HB GLN 61 1HB GLN 61 -6.537 10.357 -6.519 494 1HG GLN 61 2HG GLN 61 -8.486 8.933 -4.681 495 2HG GLN 61 1HG GLN 61 -8.709 10.595 -5.219 496 1HE2 GLN 61 1HE2 GLN 61 -9.494 7.413 -6.013 497 2HE2 GLN 61 2HE2 GLN 61 -9.842 7.640 -7.659 498 H LEU 62 H LEU 62 -5.832 8.096 -3.178 499 HA LEU 62 HA LEU 62 -7.710 5.748 -3.095 500 1HB LEU 62 2HB LEU 62 -5.226 6.536 -1.557 501 2HB LEU 62 1HB LEU 62 -6.346 5.333 -0.922 502 HG LEU 62 HG LEU 62 -6.091 4.338 -3.387 503 1HD1 LEU 62 1HD1 LEU 62 -3.534 4.581 -3.872 504 2HD1 LEU 62 2HD1 LEU 62 -3.669 6.065 -2.930 505 3HD1 LEU 62 3HD1 LEU 62 -4.623 5.864 -4.399 506 1HD2 LEU 62 1HD2 LEU 62 -5.580 2.945 -1.553 507 2HD2 LEU 62 2HD2 LEU 62 -4.306 4.021 -0.976 508 3HD2 LEU 62 3HD2 LEU 62 -4.046 3.044 -2.421 509 H MET 63 H MET 63 -9.104 5.648 -1.168 510 HA MET 63 HA MET 63 -9.509 8.304 0.171 511 1HB MET 63 2HB MET 63 -11.939 7.863 -0.029 512 2HB MET 63 1HB MET 63 -11.164 7.891 -1.611 513 1HG MET 63 2HG MET 63 -11.014 5.211 -0.656 514 2HG MET 63 1HG MET 63 -12.667 5.766 -0.396 515 1HE MET 63 1HE MET 63 -13.864 4.655 -1.529 516 2HE MET 63 2HE MET 63 -13.666 3.986 -3.148 517 3HE MET 63 3HE MET 63 -14.475 5.537 -2.936 518 H LYS 64 H LYS 64 -9.880 8.208 2.380 519 HA LYS 64 HA LYS 64 -9.415 5.637 3.741 520 1HB LYS 64 2HB LYS 64 -9.890 8.499 4.640 521 2HB LYS 64 1HB LYS 64 -9.563 7.175 5.759 522 1HG LYS 64 2HG LYS 64 -7.380 6.834 4.899 523 2HG LYS 64 1HG LYS 64 -7.717 7.775 3.445 524 1HD LYS 64 2HD LYS 64 -7.871 9.050 6.171 525 2HD LYS 64 1HD LYS 64 -6.326 8.895 5.335 526 1HE LYS 64 2HE LYS 64 -6.826 10.747 4.131 527 2HE LYS 64 1HE LYS 64 -8.220 9.894 3.437 528 1HZ LYS 64 1HZ LYS 64 -9.598 10.577 5.192 529 2HZ LYS 64 2HZ LYS 64 -8.720 11.973 4.785 530 3HZ LYS 64 3HZ LYS 64 -8.293 11.069 6.160 531 H THR 65 H THR 65 -11.041 4.358 4.576 532 HA THR 65 HA THR 65 -13.773 5.560 4.867 533 HB THR 65 HB THR 65 -13.369 4.222 2.752 534 HG1 THR 65 1HG THR 65 -15.305 3.074 3.007 535 1HG2 THR 65 1HG2 THR 65 -13.371 1.709 3.098 536 2HG2 THR 65 2HG2 THR 65 -13.007 2.015 4.795 537 3HG2 THR 65 3HG2 THR 65 -11.869 2.517 3.546 538 H GLU 66 H GLU 66 -15.204 3.764 6.051 539 HA GLU 66 HA GLU 66 -13.618 2.649 8.342 540 1HB GLU 66 2HB GLU 66 -15.382 3.435 9.817 541 2HB GLU 66 1HB GLU 66 -14.877 4.785 8.807 542 1HG GLU 66 2HG GLU 66 -17.162 3.050 7.906 543 2HG GLU 66 1HG GLU 66 -17.442 4.289 9.127 544 H ARG 67 H ARG 67 -14.926 1.490 5.756 545 HA ARG 67 HA ARG 67 -16.456 -0.680 7.144 546 1HB ARG 67 2HB ARG 67 -17.007 0.882 4.619 547 2HB ARG 67 1HB ARG 67 -17.729 -0.707 4.879 548 1HG ARG 67 2HG ARG 67 -19.011 0.017 6.685 549 2HG ARG 67 1HG ARG 67 -17.925 1.356 7.051 550 1HD ARG 67 2HD ARG 67 -19.433 2.668 5.959 551 2HD ARG 67 1HD ARG 67 -18.810 1.936 4.468 552 HE ARG 67 HE ARG 67 -20.699 0.139 5.640 553 1HH1 ARG 67 1HH2 ARG 67 -20.525 3.234 4.065 554 2HH1 ARG 67 2HH2 ARG 67 -22.119 3.122 3.403 555 1HH2 ARG 67 1HH1 ARG 67 -22.778 0.002 4.773 556 2HH2 ARG 67 2HH1 ARG 67 -23.392 1.297 3.802 557 HA PRO 68 HA PRO 68 -17.158 -2.588 6.781 558 1HB PRO 68 2HB PRO 68 -16.130 -4.915 7.788 559 2HB PRO 68 1HB PRO 68 -16.932 -4.811 6.209 560 1HG PRO 68 2HG PRO 68 -14.030 -4.889 6.854 561 2HG PRO 68 1HG PRO 68 -14.912 -5.650 5.521 562 1HD PRO 68 2HD PRO 68 -13.444 -3.368 5.247 563 2HD PRO 68 1HD PRO 68 -14.839 -3.769 4.225 564 H ARG 69 H ARG 69 -13.742 -2.356 7.648 565 HA ARG 69 HA ARG 69 -14.496 -1.913 10.519 566 1HB ARG 69 2HB ARG 69 -12.075 -2.958 9.068 567 2HB ARG 69 1HB ARG 69 -11.898 -2.289 10.689 568 1HG ARG 69 2HG ARG 69 -13.677 -3.858 11.483 569 2HG ARG 69 1HG ARG 69 -13.710 -4.580 9.875 570 1HD ARG 69 2HD ARG 69 -12.204 -5.998 10.994 571 2HD ARG 69 1HD ARG 69 -11.097 -4.819 10.263 572 HE ARG 69 HE ARG 69 -12.124 -4.051 12.910 573 1HH1 ARG 69 1HH2 ARG 69 -9.605 -5.624 11.094 574 2HH1 ARG 69 2HH2 ARG 69 -8.429 -5.453 12.349 575 1HH2 ARG 69 1HH1 ARG 69 -10.579 -3.840 14.540 576 2HH2 ARG 69 2HH1 ARG 69 -8.976 -4.448 14.292 577 HA PRO 70 HA PRO 70 -13.286 2.308 10.244 578 1HB PRO 70 2HB PRO 70 -11.999 2.690 12.637 579 2HB PRO 70 1HB PRO 70 -13.762 2.524 12.496 580 1HG PRO 70 2HG PRO 70 -11.728 0.482 13.266 581 2HG PRO 70 1HG PRO 70 -13.324 0.802 13.966 582 1HD PRO 70 2HD PRO 70 -12.884 -1.240 12.259 583 2HD PRO 70 1HD PRO 70 -14.432 -0.366 12.318 584 H ASN 71 H ASN 71 -11.392 3.714 9.987 585 HA ASN 71 HA ASN 71 -9.220 4.179 9.211 586 1HB ASN 71 2HB ASN 71 -8.521 1.818 10.985 587 2HB ASN 71 1HB ASN 71 -7.450 3.132 10.510 588 1HD2 ASN 71 1HD2 ASN 71 -9.745 2.132 12.886 589 2HD2 ASN 71 2HD2 ASN 71 -9.873 3.614 13.702 590 H THR 72 H THR 72 -10.399 3.080 7.208 591 HA THR 72 HA THR 72 -8.684 0.794 6.280 592 HB THR 72 HB THR 72 -11.627 1.424 5.934 593 HG1 THR 72 1HG THR 72 -11.783 -0.094 7.354 594 1HG2 THR 72 1HG2 THR 72 -10.944 0.745 3.745 595 2HG2 THR 72 2HG2 THR 72 -11.626 -0.691 4.506 596 3HG2 THR 72 3HG2 THR 72 -9.877 -0.501 4.390 597 H PHE 73 H PHE 73 -8.192 0.840 3.973 598 HA PHE 73 HA PHE 73 -8.418 3.580 2.751 599 1HB PHE 73 2HB PHE 73 -6.232 1.640 3.180 600 2HB PHE 73 1HB PHE 73 -6.276 2.330 1.559 601 HD1 PHE 73 1HD PHE 73 -6.302 4.853 1.291 602 HD2 PHE 73 2HD PHE 73 -5.510 2.923 5.045 603 HE1 PHE 73 1HE PHE 73 -5.295 6.947 2.155 604 HE2 PHE 73 2HE PHE 73 -4.504 5.016 5.909 605 HZ PHE 73 HZ PHE 73 -4.395 7.026 4.464 606 H VAL 74 H VAL 74 -9.506 3.634 0.818 607 HA VAL 74 HA VAL 74 -9.856 1.053 -0.686 608 HB VAL 74 HB VAL 74 -11.724 3.428 -0.350 609 1HG1 VAL 74 1HG1 VAL 74 -11.966 0.846 -1.916 610 2HG1 VAL 74 2HG1 VAL 74 -12.079 2.495 -2.535 611 3HG1 VAL 74 3HG1 VAL 74 -13.355 1.852 -1.501 612 1HG2 VAL 74 1HG2 VAL 74 -12.979 2.109 1.125 613 2HG2 VAL 74 2HG2 VAL 74 -11.328 1.668 1.564 614 3HG2 VAL 74 3HG2 VAL 74 -12.280 0.603 0.529 615 H ILE 75 H ILE 75 -9.483 1.134 -2.907 616 HA ILE 75 HA ILE 75 -8.887 3.798 -4.137 617 HB ILE 75 HB ILE 75 -6.790 2.696 -3.423 618 1HG1 ILE 75 2HG1 ILE 75 -7.070 2.428 -6.427 619 2HG1 ILE 75 1HG1 ILE 75 -7.008 3.994 -5.619 620 1HG2 ILE 75 1HG2 ILE 75 -7.705 0.428 -5.223 621 2HG2 ILE 75 2HG2 ILE 75 -7.582 0.361 -3.466 622 3HG2 ILE 75 3HG2 ILE 75 -6.127 0.543 -4.445 623 1HD1 ILE 75 1HD1 ILE 75 -4.760 3.819 -5.805 624 2HD1 ILE 75 2HD1 ILE 75 -4.844 2.098 -6.178 625 3HD1 ILE 75 3HD1 ILE 75 -4.868 2.638 -4.500 626 H ARG 76 H ARG 76 -9.634 3.973 -6.265 627 HA ARG 76 HA ARG 76 -10.919 1.526 -7.443 628 1HB ARG 76 2HB ARG 76 -12.373 3.430 -6.537 629 2HB ARG 76 1HB ARG 76 -11.723 4.420 -7.843 630 1HG ARG 76 2HG ARG 76 -12.453 2.411 -9.368 631 2HG ARG 76 1HG ARG 76 -13.503 2.005 -8.011 632 1HD ARG 76 2HD ARG 76 -14.970 3.464 -8.980 633 2HD ARG 76 1HD ARG 76 -13.934 4.726 -8.289 634 HE ARG 76 HE ARG 76 -13.837 3.745 -11.096 635 1HH1 ARG 76 1HH2 ARG 76 -12.596 5.834 -8.590 636 2HH1 ARG 76 2HH2 ARG 76 -11.709 6.820 -9.696 637 1HH2 ARG 76 1HH1 ARG 76 -12.684 5.051 -12.516 638 2HH2 ARG 76 2HH1 ARG 76 -11.762 6.385 -11.910 639 H CYS 77 H CYS 77 -8.588 1.343 -8.367 640 HA CYS 77 HA CYS 77 -8.588 2.420 -11.096 641 1HB CYS 77 2HB CYS 77 -7.607 4.088 -9.216 642 2HB CYS 77 1HB CYS 77 -6.153 3.144 -9.537 643 H LEU 78 H LEU 78 -8.388 0.220 -11.755 644 HA LEU 78 HA LEU 78 -6.017 -1.312 -10.787 645 1HB LEU 78 2HB LEU 78 -8.698 -1.870 -11.889 646 2HB LEU 78 1HB LEU 78 -7.433 -2.913 -12.536 647 HG LEU 78 HG LEU 78 -8.485 -3.861 -10.486 648 1HD1 LEU 78 1HD1 LEU 78 -5.613 -3.007 -10.019 649 2HD1 LEU 78 2HD1 LEU 78 -6.093 -4.319 -11.096 650 3HD1 LEU 78 3HD1 LEU 78 -6.412 -4.437 -9.367 651 1HD2 LEU 78 1HD2 LEU 78 -8.898 -1.580 -9.445 652 2HD2 LEU 78 2HD2 LEU 78 -7.182 -1.540 -9.034 653 3HD2 LEU 78 3HD2 LEU 78 -8.224 -2.786 -8.348 654 H GLN 79 H GLN 79 -4.177 -1.091 -12.002 655 HA GLN 79 HA GLN 79 -4.446 -0.342 -14.889 656 1HB GLN 79 2HB GLN 79 -2.113 -0.168 -12.948 657 2HB GLN 79 1HB GLN 79 -2.119 0.457 -14.595 658 1HG GLN 79 2HG GLN 79 -4.258 1.336 -12.671 659 2HG GLN 79 1HG GLN 79 -2.661 2.078 -12.597 660 1HE2 GLN 79 1HE2 GLN 79 -2.582 3.969 -13.825 661 2HE2 GLN 79 2HE2 GLN 79 -3.423 4.224 -15.277 662 H TRP 80 H TRP 80 -2.040 -2.211 -12.965 663 HA TRP 80 HA TRP 80 -2.376 -4.561 -14.719 664 1HB TRP 80 2HB TRP 80 -0.583 -2.469 -15.357 665 2HB TRP 80 1HB TRP 80 0.420 -3.777 -14.730 666 HD1 TRP 80 HD TRP 80 -2.048 -2.960 -17.531 667 HE1 TRP 80 1HE TRP 80 -1.815 -4.737 -19.385 668 HE3 TRP 80 3HE TRP 80 1.149 -6.217 -15.237 669 HZ2 TRP 80 2HZ TRP 80 -0.452 -7.211 -19.836 670 HZ3 TRP 80 3HZ TRP 80 1.898 -8.272 -16.401 671 HH2 TRP 80 HH TRP 80 1.103 -8.773 -18.695 672 H THR 81 H THR 81 -2.915 -4.905 -12.195 673 HA THR 81 HA THR 81 -0.402 -5.733 -10.777 674 HB THR 81 HB THR 81 -1.851 -5.569 -8.743 675 HG1 THR 81 1HG THR 81 -3.901 -5.659 -9.137 676 1HG2 THR 81 1HG2 THR 81 -1.870 -3.190 -8.639 677 2HG2 THR 81 2HG2 THR 81 -2.074 -3.043 -10.385 678 3HG2 THR 81 3HG2 THR 81 -0.541 -3.608 -9.721 679 H THR 82 H THR 82 -0.235 -7.882 -10.060 680 HA THR 82 HA THR 82 -1.766 -9.918 -11.418 681 HB THR 82 HB THR 82 -0.483 -11.412 -9.837 682 HG1 THR 82 1HG THR 82 0.577 -10.564 -8.203 683 1HG2 THR 82 1HG2 THR 82 0.532 -10.677 -11.942 684 2HG2 THR 82 2HG2 THR 82 1.753 -10.742 -10.670 685 3HG2 THR 82 3HG2 THR 82 1.085 -9.189 -11.173 686 H VAL 83 H VAL 83 -1.985 -8.436 -8.209 687 HA VAL 83 HA VAL 83 -4.301 -10.197 -7.523 688 HB VAL 83 HB VAL 83 -2.346 -10.007 -5.971 689 1HG1 VAL 83 1HG1 VAL 83 -3.188 -7.095 -5.900 690 2HG1 VAL 83 2HG1 VAL 83 -1.625 -7.738 -6.400 691 3HG1 VAL 83 3HG1 VAL 83 -2.117 -7.832 -4.711 692 1HG2 VAL 83 1HG2 VAL 83 -3.654 -9.927 -4.034 693 2HG2 VAL 83 2HG2 VAL 83 -4.866 -10.244 -5.274 694 3HG2 VAL 83 3HG2 VAL 83 -4.654 -8.610 -4.645 695 H ILE 84 H ILE 84 -6.306 -9.213 -6.888 696 HA ILE 84 HA ILE 84 -6.707 -6.457 -7.968 697 HB ILE 84 HB ILE 84 -8.610 -8.711 -7.222 698 1HG1 ILE 84 2HG1 ILE 84 -8.840 -8.230 -9.928 699 2HG1 ILE 84 1HG1 ILE 84 -7.117 -7.971 -9.658 700 1HG2 ILE 84 1HG2 ILE 84 -9.950 -6.810 -7.008 701 2HG2 ILE 84 2HG2 ILE 84 -10.152 -7.188 -8.718 702 3HG2 ILE 84 3HG2 ILE 84 -9.042 -5.909 -8.223 703 1HD1 ILE 84 1HD1 ILE 84 -6.741 -10.162 -9.036 704 2HD1 ILE 84 2HD1 ILE 84 -8.100 -10.409 -10.133 705 3HD1 ILE 84 3HD1 ILE 84 -8.370 -10.370 -8.392 706 H GLU 85 H GLU 85 -5.920 -5.247 -6.138 707 HA GLU 85 HA GLU 85 -7.238 -5.715 -3.503 708 1HB GLU 85 2HB GLU 85 -4.880 -4.073 -4.469 709 2HB GLU 85 1HB GLU 85 -5.466 -4.014 -2.808 710 1HG GLU 85 2HG GLU 85 -5.178 -6.521 -2.703 711 2HG GLU 85 1HG GLU 85 -4.389 -6.436 -4.277 712 H ARG 86 H ARG 86 -9.242 -4.692 -3.490 713 HA ARG 86 HA ARG 86 -9.583 -2.023 -4.732 714 1HB ARG 86 2HB ARG 86 -11.242 -3.911 -4.908 715 2HB ARG 86 1HB ARG 86 -11.512 -3.773 -3.170 716 1HG ARG 86 2HG ARG 86 -13.210 -2.405 -3.965 717 2HG ARG 86 1HG ARG 86 -11.917 -1.222 -3.757 718 1HD ARG 86 2HD ARG 86 -11.427 -1.173 -6.081 719 2HD ARG 86 1HD ARG 86 -12.320 -2.676 -6.386 720 HE ARG 86 HE ARG 86 -13.501 -0.016 -6.066 721 1HH1 ARG 86 1HH2 ARG 86 -13.983 -3.451 -5.776 722 2HH1 ARG 86 2HH2 ARG 86 -15.700 -3.346 -5.957 723 1HH2 ARG 86 1HH1 ARG 86 -15.743 0.108 -6.300 724 2HH2 ARG 86 2HH1 ARG 86 -16.695 -1.338 -6.252 725 H THR 87 H THR 87 -9.970 -3.509 -1.489 726 HA THR 87 HA THR 87 -9.356 -0.840 -0.274 727 HB THR 87 HB THR 87 -11.794 -1.260 -0.268 728 HG1 THR 87 1HG THR 87 -12.003 -1.282 2.103 729 1HG2 THR 87 1HG2 THR 87 -11.082 -3.759 1.298 730 2HG2 THR 87 2HG2 THR 87 -11.697 -3.730 -0.354 731 3HG2 THR 87 3HG2 THR 87 -12.714 -3.174 0.974 732 H PHE 88 H PHE 88 -8.040 -0.955 1.563 733 HA PHE 88 HA PHE 88 -7.381 -3.667 2.629 734 1HB PHE 88 2HB PHE 88 -5.130 -3.419 2.158 735 2HB PHE 88 1HB PHE 88 -5.796 -2.480 0.829 736 HD1 PHE 88 1HD PHE 88 -4.567 -2.118 4.353 737 HD2 PHE 88 2HD PHE 88 -5.128 -0.250 0.527 738 HE1 PHE 88 1HE PHE 88 -3.298 -0.142 5.130 739 HE2 PHE 88 2HE PHE 88 -3.855 1.731 1.311 740 HZ PHE 88 HZ PHE 88 -2.935 1.780 3.617 741 H HIS 89 H HIS 89 -6.729 -3.650 4.857 742 HA HIS 89 HA HIS 89 -7.583 -1.189 6.328 743 1HB HIS 89 2HB HIS 89 -7.343 -4.126 7.038 744 2HB HIS 89 1HB HIS 89 -7.765 -2.883 8.213 745 HD1 HIS 89 1HD HIS 89 -10.103 -4.213 8.375 746 HD2 HIS 89 2HD HIS 89 -9.389 -2.281 4.751 747 HE1 HIS 89 1HE HIS 89 -12.333 -4.067 7.189 748 H VAL 90 H VAL 90 -6.304 -0.491 8.175 749 HA VAL 90 HA VAL 90 -3.396 -1.151 7.904 750 HB VAL 90 HB VAL 90 -3.106 1.044 9.061 751 1HG1 VAL 90 1HG1 VAL 90 -3.070 1.100 6.670 752 2HG1 VAL 90 2HG1 VAL 90 -4.113 2.430 7.173 753 3HG1 VAL 90 3HG1 VAL 90 -4.823 0.933 6.571 754 1HG2 VAL 90 1HG2 VAL 90 -5.675 0.659 9.946 755 2HG2 VAL 90 2HG2 VAL 90 -5.930 1.808 8.632 756 3HG2 VAL 90 3HG2 VAL 90 -4.843 2.212 9.959 757 H ASP 91 H ASP 91 -2.139 -1.260 9.940 758 HA ASP 91 HA ASP 91 -3.254 -3.051 11.879 759 1HB ASP 91 2HB ASP 91 -0.783 -2.253 11.094 760 2HB ASP 91 1HB ASP 91 -0.927 -1.346 12.599 761 H SER 92 H SER 92 -2.864 0.500 11.906 762 HA SER 92 HA SER 92 -4.705 0.645 14.242 763 1HB SER 92 2HB SER 92 -1.915 0.668 14.473 764 2HB SER 92 1HB SER 92 -2.365 2.367 14.560 765 HG SER 92 HG SER 92 -2.502 1.525 16.611 766 HA PRO 93 HA PRO 93 -6.029 4.418 12.370 767 1HB PRO 93 2HB PRO 93 -6.212 6.182 14.467 768 2HB PRO 93 1HB PRO 93 -7.375 4.867 14.201 769 1HG PRO 93 2HG PRO 93 -5.052 4.989 16.066 770 2HG PRO 93 1HG PRO 93 -6.677 4.336 16.332 771 1HD PRO 93 2HD PRO 93 -4.550 2.757 15.811 772 2HD PRO 93 1HD PRO 93 -6.194 2.343 15.280 773 H ASP 94 H ASP 94 -3.350 4.870 14.690 774 HA ASP 94 HA ASP 94 -2.305 7.304 13.589 775 1HB ASP 94 2HB ASP 94 -0.172 6.442 14.726 776 2HB ASP 94 1HB ASP 94 -1.590 6.568 15.761 777 H GLU 95 H GLU 95 -1.833 3.880 12.738 778 HA GLU 95 HA GLU 95 0.302 4.300 10.827 779 1HB GLU 95 2HB GLU 95 -0.874 2.165 12.055 780 2HB GLU 95 1HB GLU 95 -1.609 2.060 10.454 781 1HG GLU 95 2HG GLU 95 0.839 2.408 9.589 782 2HG GLU 95 1HG GLU 95 1.300 1.894 11.210 783 H ARG 96 H ARG 96 -3.258 4.106 10.545 784 HA ARG 96 HA ARG 96 -3.523 4.221 7.727 785 1HB ARG 96 2HB ARG 96 -5.410 3.840 9.181 786 2HB ARG 96 1HB ARG 96 -5.147 5.363 10.023 787 1HG ARG 96 2HG ARG 96 -5.455 6.342 7.545 788 2HG ARG 96 1HG ARG 96 -6.391 4.861 7.356 789 1HD ARG 96 2HD ARG 96 -8.005 6.402 8.136 790 2HD ARG 96 1HD ARG 96 -7.499 5.584 9.628 791 HE ARG 96 HE ARG 96 -5.927 7.974 8.879 792 1HH1 ARG 96 1HH2 ARG 96 -8.498 6.586 10.772 793 2HH1 ARG 96 2HH2 ARG 96 -8.474 7.853 11.948 794 1HH2 ARG 96 1HH1 ARG 96 -5.917 9.621 10.424 795 2HH2 ARG 96 2HH1 ARG 96 -7.024 9.567 11.752 796 H GLU 97 H GLU 97 -3.080 6.865 10.083 797 HA GLU 97 HA GLU 97 -3.226 9.005 8.125 798 1HB GLU 97 2HB GLU 97 -2.977 8.629 10.956 799 2HB GLU 97 1HB GLU 97 -1.681 9.707 10.436 800 1HG GLU 97 2HG GLU 97 -4.436 10.176 9.362 801 2HG GLU 97 1HG GLU 97 -4.085 10.669 11.020 802 H GLU 98 H GLU 98 -0.586 7.071 9.526 803 HA GLU 98 HA GLU 98 1.628 8.577 8.518 804 1HB GLU 98 2HB GLU 98 1.167 5.666 9.220 805 2HB GLU 98 1HB GLU 98 2.752 6.275 8.748 806 1HG GLU 98 2HG GLU 98 1.764 8.090 10.679 807 2HG GLU 98 1HG GLU 98 1.428 6.477 11.306 808 H TRP 99 H TRP 99 -0.293 5.925 7.073 809 HA TRP 99 HA TRP 99 1.291 5.641 4.675 810 1HB TRP 99 2HB TRP 99 -1.658 5.115 5.201 811 2HB TRP 99 1HB TRP 99 -0.731 4.458 3.857 812 HD1 TRP 99 HD TRP 99 -2.046 3.277 6.883 813 HE1 TRP 99 1HE TRP 99 -0.633 1.423 7.966 814 HE3 TRP 99 3HE TRP 99 2.349 3.923 4.356 815 HZ2 TRP 99 2HZ TRP 99 2.006 0.354 7.797 816 HZ3 TRP 99 3HZ TRP 99 4.297 2.467 4.847 817 HH2 TRP 99 HH TRP 99 4.129 0.690 6.561 818 H MET 100 H MET 100 -1.745 7.420 5.345 819 HA MET 100 HA MET 100 -2.087 8.627 2.787 820 1HB MET 100 2HB MET 100 -3.496 8.504 5.059 821 2HB MET 100 1HB MET 100 -2.774 10.092 5.310 822 1HG MET 100 2HG MET 100 -3.895 9.610 2.608 823 2HG MET 100 1HG MET 100 -5.072 9.702 3.917 824 1HE MET 100 1HE MET 100 -2.525 12.655 1.878 825 2HE MET 100 2HE MET 100 -4.179 12.399 1.329 826 3HE MET 100 3HE MET 100 -3.095 11.022 1.505 827 H ARG 101 H ARG 101 -0.273 9.720 5.664 828 HA ARG 101 HA ARG 101 0.514 12.296 4.687 829 1HB ARG 101 2HB ARG 101 0.642 11.108 7.034 830 2HB ARG 101 1HB ARG 101 2.225 10.572 6.469 831 1HG ARG 101 2HG ARG 101 2.756 12.592 7.516 832 2HG ARG 101 1HG ARG 101 2.552 13.101 5.839 833 1HD ARG 101 2HD ARG 101 0.353 13.957 6.262 834 2HD ARG 101 1HD ARG 101 0.279 13.175 7.851 835 HE ARG 101 HE ARG 101 1.718 15.646 7.225 836 1HH1 ARG 101 1HH2 ARG 101 1.496 12.870 9.306 837 2HH1 ARG 101 2HH2 ARG 101 2.313 13.640 10.621 838 1HH2 ARG 101 1HH1 ARG 101 2.789 16.641 8.944 839 2HH2 ARG 101 2HH1 ARG 101 3.045 15.770 10.417 840 H ALA 102 H ALA 102 2.131 9.103 4.506 841 HA ALA 102 HA ALA 102 4.521 9.975 3.191 842 1HB ALA 102 1HB ALA 102 4.754 7.584 2.692 843 2HB ALA 102 2HB ALA 102 3.036 7.332 3.008 844 3HB ALA 102 3HB ALA 102 4.118 7.787 4.326 845 H ILE 103 H ILE 103 1.420 8.751 1.874 846 HA ILE 103 HA ILE 103 2.106 8.757 -0.888 847 HB ILE 103 HB ILE 103 -0.507 9.308 0.569 848 1HG1 ILE 103 2HG1 ILE 103 0.280 6.755 -0.828 849 2HG1 ILE 103 1HG1 ILE 103 0.827 7.067 0.820 850 1HG2 ILE 103 1HG2 ILE 103 -1.626 8.730 -1.529 851 2HG2 ILE 103 2HG2 ILE 103 -0.069 8.488 -2.322 852 3HG2 ILE 103 3HG2 ILE 103 -0.551 10.102 -1.796 853 1HD1 ILE 103 1HD1 ILE 103 -1.715 7.662 1.222 854 2HD1 ILE 103 2HD1 ILE 103 -1.187 5.980 1.231 855 3HD1 ILE 103 3HD1 ILE 103 -1.961 6.654 -0.203 856 H GLN 104 H GLN 104 0.776 11.371 1.167 857 HA GLN 104 HA GLN 104 0.581 13.346 -0.931 858 1HB GLN 104 2HB GLN 104 -0.293 13.108 1.614 859 2HB GLN 104 1HB GLN 104 1.110 14.140 1.897 860 1HG GLN 104 2HG GLN 104 -0.869 14.790 -0.285 861 2HG GLN 104 1HG GLN 104 -1.163 15.289 1.380 862 1HE2 GLN 104 1HE2 GLN 104 0.122 16.441 -1.457 863 2HE2 GLN 104 2HE2 GLN 104 1.245 17.547 -0.829 864 H MET 105 H MET 105 3.118 12.641 1.500 865 HA MET 105 HA MET 105 4.890 14.785 0.743 866 1HB MET 105 2HB MET 105 5.140 12.146 2.192 867 2HB MET 105 1HB MET 105 6.556 13.161 1.921 868 1HG MET 105 2HG MET 105 5.601 14.980 3.157 869 2HG MET 105 1HG MET 105 4.020 14.199 3.206 870 1HE MET 105 1HE MET 105 4.065 14.648 5.954 871 2HE MET 105 2HE MET 105 5.559 15.470 5.513 872 3HE MET 105 3HE MET 105 5.550 14.339 6.864 873 H VAL 106 H VAL 106 4.725 11.344 -0.225 874 HA VAL 106 HA VAL 106 7.016 11.465 -1.998 875 HB VAL 106 HB VAL 106 4.633 9.593 -1.759 876 1HG1 VAL 106 1HG1 VAL 106 6.951 9.644 -3.630 877 2HG1 VAL 106 2HG1 VAL 106 5.335 8.975 -3.858 878 3HG1 VAL 106 3HG1 VAL 106 6.536 8.083 -2.924 879 1HG2 VAL 106 1HG2 VAL 106 6.046 8.230 -0.432 880 2HG2 VAL 106 2HG2 VAL 106 6.377 9.864 0.142 881 3HG2 VAL 106 3HG2 VAL 106 7.501 9.073 -0.963 882 H ALA 107 H ALA 107 3.530 12.021 -2.378 883 HA ALA 107 HA ALA 107 3.331 12.058 -5.212 884 1HB ALA 107 1HB ALA 107 1.470 13.810 -4.556 885 2HB ALA 107 2HB ALA 107 1.911 13.365 -2.908 886 3HB ALA 107 3HB ALA 107 1.317 12.135 -4.024 887 H ASN 108 H ASN 108 4.500 14.540 -2.941 888 HA ASN 108 HA ASN 108 4.549 16.800 -4.670 889 1HB ASN 108 2HB ASN 108 6.018 15.831 -2.251 890 2HB ASN 108 1HB ASN 108 6.700 17.211 -3.110 891 1HD2 ASN 108 1HD2 ASN 108 4.204 16.232 -0.911 892 2HD2 ASN 108 2HD2 ASN 108 3.399 17.724 -0.836 893 H SER 109 H SER 109 6.967 14.205 -4.204 894 HA SER 109 HA SER 109 8.717 15.316 -6.314 895 1HB SER 109 2HB SER 109 9.360 14.136 -4.083 896 2HB SER 109 1HB SER 109 8.972 12.642 -4.933 897 HG SER 109 HG SER 109 11.232 13.808 -5.008 898 H LEU 110 H LEU 110 6.321 12.758 -5.891 899 HA LEU 110 HA LEU 110 6.912 11.160 -8.196 900 1HB LEU 110 2HB LEU 110 5.430 10.594 -6.255 901 2HB LEU 110 1HB LEU 110 4.257 11.769 -6.845 902 HG LEU 110 HG LEU 110 4.909 10.105 -9.050 903 1HD1 LEU 110 1HD1 LEU 110 5.699 8.598 -7.068 904 2HD1 LEU 110 2HD1 LEU 110 4.653 7.897 -8.302 905 3HD1 LEU 110 3HD1 LEU 110 3.975 8.398 -6.753 906 1HD2 LEU 110 1HD2 LEU 110 2.743 11.277 -8.433 907 2HD2 LEU 110 2HD2 LEU 110 2.456 9.979 -7.275 908 3HD2 LEU 110 3HD2 LEU 110 2.552 9.618 -8.999 909 H LYS 111 H LYS 111 4.665 13.917 -7.749 910 HA LYS 111 HA LYS 111 3.677 15.386 -9.304 911 1HB LYS 111 2HB LYS 111 5.997 14.447 -11.023 912 2HB LYS 111 1HB LYS 111 5.126 15.973 -11.176 913 1HG LYS 111 2HG LYS 111 5.919 15.934 -8.504 914 2HG LYS 111 1HG LYS 111 7.302 15.256 -9.361 915 1HD LYS 111 2HD LYS 111 7.828 17.472 -9.626 916 2HD LYS 111 1HD LYS 111 6.746 17.313 -11.010 917 1HE LYS 111 2HE LYS 111 5.238 17.838 -8.570 918 2HE LYS 111 1HE LYS 111 6.433 19.112 -8.881 919 1HZ LYS 111 1HZ LYS 111 4.479 18.030 -10.846 920 2HZ LYS 111 2HZ LYS 111 5.671 19.192 -11.191 921 3HZ LYS 111 3HZ LYS 111 4.410 19.559 -10.113 Start of MODEL 2 1 1H MET 1 1H MET 1 19.354 2.382 -11.528 2 2H MET 1 2H MET 1 20.296 1.325 -12.464 3 3H MET 1 3H MET 1 19.706 0.828 -10.949 4 HA MET 1 HA MET 1 17.916 1.556 -13.210 5 1HB MET 1 2HB MET 1 19.552 -0.843 -12.610 6 2HB MET 1 1HB MET 1 17.863 -1.174 -12.995 7 1HG MET 1 2HG MET 1 18.549 -1.063 -15.158 8 2HG MET 1 1HG MET 1 18.508 0.682 -14.913 9 1HE MET 1 1HE MET 1 22.014 -2.055 -15.603 10 2HE MET 1 2HE MET 1 20.495 -1.901 -16.481 11 3HE MET 1 3HE MET 1 20.495 -2.549 -14.843 12 H ASN 2 H ASN 2 16.067 2.139 -12.127 13 HA ASN 2 HA ASN 2 14.304 2.116 -10.560 14 1HB ASN 2 2HB ASN 2 14.755 -0.441 -11.716 15 2HB ASN 2 1HB ASN 2 14.362 -0.721 -10.020 16 1HD2 ASN 2 1HD2 ASN 2 12.464 1.090 -9.356 17 2HD2 ASN 2 2HD2 ASN 2 11.127 1.023 -10.401 18 H GLU 3 H GLU 3 16.320 3.050 -9.179 19 HA GLU 3 HA GLU 3 16.758 1.303 -6.786 20 1HB GLU 3 2HB GLU 3 18.619 2.968 -6.358 21 2HB GLU 3 1HB GLU 3 18.788 2.066 -7.861 22 1HG GLU 3 2HG GLU 3 17.250 4.566 -8.142 23 2HG GLU 3 1HG GLU 3 18.927 4.808 -7.654 24 H VAL 4 H VAL 4 14.243 2.273 -6.785 25 HA VAL 4 HA VAL 4 13.932 4.911 -5.606 26 HB VAL 4 HB VAL 4 12.171 2.450 -5.831 27 1HG1 VAL 4 1HG1 VAL 4 10.352 3.665 -4.996 28 2HG1 VAL 4 2HG1 VAL 4 11.148 5.219 -5.246 29 3HG1 VAL 4 3HG1 VAL 4 11.657 4.169 -3.924 30 1HG2 VAL 4 1HG2 VAL 4 12.130 5.097 -7.316 31 2HG2 VAL 4 2HG2 VAL 4 11.124 3.687 -7.652 32 3HG2 VAL 4 3HG2 VAL 4 12.862 3.619 -7.941 33 H SER 5 H SER 5 13.749 5.459 -3.427 34 HA SER 5 HA SER 5 14.744 3.487 -1.453 35 1HB SER 5 2HB SER 5 14.716 5.602 -0.025 36 2HB SER 5 1HB SER 5 15.735 5.677 -1.460 37 HG SER 5 HG SER 5 14.335 7.517 -1.170 38 H VAL 6 H VAL 6 13.604 3.427 0.723 39 HA VAL 6 HA VAL 6 10.679 3.111 0.309 40 HB VAL 6 HB VAL 6 12.637 2.334 2.493 41 1HG1 VAL 6 1HG1 VAL 6 10.548 2.724 3.606 42 2HG1 VAL 6 2HG1 VAL 6 10.658 0.983 3.354 43 3HG1 VAL 6 3HG1 VAL 6 9.637 1.962 2.302 44 1HG2 VAL 6 1HG2 VAL 6 12.204 0.064 1.697 45 2HG2 VAL 6 2HG2 VAL 6 12.711 1.065 0.336 46 3HG2 VAL 6 3HG2 VAL 6 11.006 0.665 0.550 47 H ILE 7 H ILE 7 9.163 4.408 1.341 48 HA ILE 7 HA ILE 7 10.197 6.796 2.791 49 HB ILE 7 HB ILE 7 7.810 6.051 1.158 50 1HG1 ILE 7 2HG1 ILE 7 8.191 8.293 0.243 51 2HG1 ILE 7 1HG1 ILE 7 9.369 8.633 1.508 52 1HG2 ILE 7 1HG2 ILE 7 7.727 8.040 3.438 53 2HG2 ILE 7 2HG2 ILE 7 6.612 6.712 3.122 54 3HG2 ILE 7 3HG2 ILE 7 6.624 8.123 2.065 55 1HD1 ILE 7 1HD1 ILE 7 10.924 7.077 0.637 56 2HD1 ILE 7 2HD1 ILE 7 10.277 7.882 -0.790 57 3HD1 ILE 7 3HD1 ILE 7 9.700 6.276 -0.346 58 H LYS 8 H LYS 8 7.870 4.099 3.204 59 HA LYS 8 HA LYS 8 8.225 4.255 6.127 60 1HB LYS 8 2HB LYS 8 6.159 5.691 4.792 61 2HB LYS 8 1HB LYS 8 5.390 4.345 5.632 62 1HG LYS 8 2HG LYS 8 7.442 6.053 7.031 63 2HG LYS 8 1HG LYS 8 5.757 6.562 6.944 64 1HD LYS 8 2HD LYS 8 5.003 4.647 8.137 65 2HD LYS 8 1HD LYS 8 6.543 3.812 7.923 66 1HE LYS 8 2HE LYS 8 7.652 5.207 9.494 67 2HE LYS 8 1HE LYS 8 6.368 6.428 9.439 68 1HZ LYS 8 1HZ LYS 8 6.227 3.692 10.578 69 2HZ LYS 8 2HZ LYS 8 4.837 4.610 10.245 70 3HZ LYS 8 3HZ LYS 8 5.973 5.165 11.378 71 H GLU 9 H GLU 9 7.888 2.253 7.040 72 HA GLU 9 HA GLU 9 6.547 0.137 5.372 73 1HB GLU 9 2HB GLU 9 8.903 -0.099 7.282 74 2HB GLU 9 1HB GLU 9 8.225 -1.404 6.313 75 1HG GLU 9 2HG GLU 9 8.697 0.341 4.335 76 2HG GLU 9 1HG GLU 9 9.923 0.899 5.470 77 H GLY 10 H GLY 10 5.083 -1.201 6.505 78 1HA GLY 10 2HA GLY 10 5.019 -1.323 9.408 79 2HA GLY 10 1HA GLY 10 3.737 -0.299 8.773 80 H TRP 11 H TRP 11 2.928 -2.495 10.131 81 HA TRP 11 HA TRP 11 2.414 -4.688 8.189 82 1HB TRP 11 2HB TRP 11 2.148 -4.233 11.149 83 2HB TRP 11 1HB TRP 11 1.243 -5.546 10.395 84 HD1 TRP 11 HD TRP 11 4.764 -4.424 11.247 85 HE1 TRP 11 1HE TRP 11 6.390 -6.386 10.857 86 HE3 TRP 11 3HE TRP 11 1.622 -7.728 8.954 87 HZ2 TRP 11 2HZ TRP 11 6.360 -9.007 9.715 88 HZ3 TRP 11 3HZ TRP 11 2.445 -9.948 8.221 89 HH2 TRP 11 HH TRP 11 4.812 -10.590 8.598 90 H LEU 12 H LEU 12 0.532 -4.731 7.039 91 HA LEU 12 HA LEU 12 -1.812 -3.164 8.080 92 1HB LEU 12 2HB LEU 12 -0.874 -3.533 5.214 93 2HB LEU 12 1HB LEU 12 -2.224 -2.530 5.745 94 HG LEU 12 HG LEU 12 0.649 -2.131 6.640 95 1HD1 LEU 12 1HD1 LEU 12 -0.439 0.003 5.030 96 2HD1 LEU 12 2HD1 LEU 12 -0.512 -1.518 4.140 97 3HD1 LEU 12 3HD1 LEU 12 1.028 -0.939 4.775 98 1HD2 LEU 12 1HD2 LEU 12 -1.169 0.136 6.809 99 2HD2 LEU 12 2HD2 LEU 12 -0.169 -0.586 8.068 100 3HD2 LEU 12 3HD2 LEU 12 -1.773 -1.237 7.735 101 H HIS 13 H HIS 13 -3.924 -4.035 7.381 102 HA HIS 13 HA HIS 13 -3.828 -7.000 7.091 103 1HB HIS 13 2HB HIS 13 -5.603 -4.962 8.314 104 2HB HIS 13 1HB HIS 13 -6.414 -6.371 7.631 105 HD1 HIS 13 1HD HIS 13 -6.672 -8.204 9.294 106 HD2 HIS 13 2HD HIS 13 -3.201 -5.998 9.984 107 HE1 HIS 13 1HE HIS 13 -5.563 -9.226 11.328 108 H LYS 14 H LYS 14 -4.467 -7.973 5.245 109 HA LYS 14 HA LYS 14 -6.043 -6.404 3.225 110 1HB LYS 14 2HB LYS 14 -3.462 -7.061 2.956 111 2HB LYS 14 1HB LYS 14 -4.155 -8.605 2.458 112 1HG LYS 14 2HG LYS 14 -5.307 -6.103 1.284 113 2HG LYS 14 1HG LYS 14 -3.738 -6.649 0.695 114 1HD LYS 14 2HD LYS 14 -4.655 -8.372 -0.448 115 2HD LYS 14 1HD LYS 14 -5.658 -8.844 0.925 116 1HE LYS 14 2HE LYS 14 -7.232 -6.967 0.360 117 2HE LYS 14 1HE LYS 14 -6.270 -6.657 -1.097 118 1HZ LYS 14 1HZ LYS 14 -8.193 -8.235 -1.394 119 2HZ LYS 14 2HZ LYS 14 -7.350 -9.341 -0.415 120 3HZ LYS 14 3HZ LYS 14 -6.685 -8.828 -1.897 121 H ARG 15 H ARG 15 -7.865 -7.501 2.435 122 HA ARG 15 HA ARG 15 -8.780 -9.885 3.790 123 1HB ARG 15 2HB ARG 15 -10.241 -8.107 2.878 124 2HB ARG 15 1HB ARG 15 -9.735 -8.536 1.245 125 1HG ARG 15 2HG ARG 15 -11.337 -10.113 1.171 126 2HG ARG 15 1HG ARG 15 -10.580 -10.935 2.535 127 1HD ARG 15 2HD ARG 15 -12.705 -10.475 3.409 128 2HD ARG 15 1HD ARG 15 -11.809 -9.045 3.944 129 HE ARG 15 HE ARG 15 -12.978 -7.752 2.343 130 1HH1 ARG 15 1HH2 ARG 15 -13.361 -11.155 1.703 131 2HH1 ARG 15 2HH2 ARG 15 -14.619 -10.908 0.539 132 1HH2 ARG 15 1HH1 ARG 15 -14.623 -7.456 0.830 133 2HH2 ARG 15 2HH1 ARG 15 -15.326 -8.830 0.045 134 H GLY 16 H GLY 16 -8.770 -12.039 3.070 135 1HA GLY 16 2HA GLY 16 -6.732 -12.794 1.158 136 2HA GLY 16 1HA GLY 16 -7.849 -13.897 1.960 137 H GLU 17 H GLU 17 -9.962 -14.223 0.998 138 HA GLU 17 HA GLU 17 -10.142 -13.358 -1.870 139 1HB GLU 17 2HB GLU 17 -10.942 -15.657 -2.338 140 2HB GLU 17 1HB GLU 17 -9.341 -15.679 -1.605 141 1HG GLU 17 2HG GLU 17 -11.592 -15.778 0.315 142 2HG GLU 17 1HG GLU 17 -11.436 -17.192 -0.725 143 H TYR 18 H TYR 18 -12.712 -15.140 -1.805 144 HA TYR 18 HA TYR 18 -14.633 -13.077 -1.491 145 1HB TYR 18 2HB TYR 18 -16.225 -14.849 -1.820 146 2HB TYR 18 1HB TYR 18 -14.791 -15.274 -2.749 147 HD1 TYR 18 1HD TYR 18 -16.741 -16.004 0.312 148 HD2 TYR 18 2HD TYR 18 -13.409 -17.172 -2.136 149 HE1 TYR 18 1HE TYR 18 -16.588 -18.151 1.542 150 HE2 TYR 18 2HE TYR 18 -13.256 -19.318 -0.903 151 HH TYR 18 HH TYR 18 -14.021 -20.066 1.596 152 H ILE 19 H ILE 19 -13.194 -15.154 0.948 153 HA ILE 19 HA ILE 19 -15.247 -14.984 2.950 154 HB ILE 19 HB ILE 19 -13.178 -16.507 2.766 155 1HG1 ILE 19 2HG1 ILE 19 -13.499 -15.171 5.463 156 2HG1 ILE 19 1HG1 ILE 19 -14.742 -16.221 4.780 157 1HG2 ILE 19 1HG2 ILE 19 -11.088 -15.742 3.500 158 2HG2 ILE 19 2HG2 ILE 19 -11.778 -14.346 4.327 159 3HG2 ILE 19 3HG2 ILE 19 -11.679 -14.368 2.567 160 1HD1 ILE 19 1HD1 ILE 19 -13.266 -17.519 6.245 161 2HD1 ILE 19 2HD1 ILE 19 -11.859 -16.994 5.320 162 3HD1 ILE 19 3HD1 ILE 19 -13.065 -18.041 4.572 163 H LYS 20 H LYS 20 -15.343 -13.550 4.808 164 HA LYS 20 HA LYS 20 -14.348 -10.815 4.218 165 1HB LYS 20 2HB LYS 20 -16.747 -11.779 5.017 166 2HB LYS 20 1HB LYS 20 -16.036 -11.431 6.593 167 1HG LYS 20 2HG LYS 20 -15.649 -9.306 4.576 168 2HG LYS 20 1HG LYS 20 -17.327 -9.577 5.045 169 1HD LYS 20 2HD LYS 20 -15.160 -9.330 7.128 170 2HD LYS 20 1HD LYS 20 -15.927 -7.896 6.447 171 1HE LYS 20 2HE LYS 20 -17.727 -10.093 7.404 172 2HE LYS 20 1HE LYS 20 -16.932 -9.081 8.625 173 1HZ LYS 20 1HZ LYS 20 -19.155 -8.295 7.543 174 2HZ LYS 20 2HZ LYS 20 -18.148 -7.802 6.267 175 3HZ LYS 20 3HZ LYS 20 -17.912 -7.176 7.829 176 H THR 21 H THR 21 -12.131 -12.115 4.848 177 HA THR 21 HA THR 21 -11.596 -11.417 7.717 178 HB THR 21 HB THR 21 -10.336 -13.714 6.195 179 HG1 THR 21 1HG THR 21 -11.872 -15.026 7.061 180 1HG2 THR 21 1HG2 THR 21 -9.198 -12.804 8.234 181 2HG2 THR 21 2HG2 THR 21 -9.700 -14.486 8.403 182 3HG2 THR 21 3HG2 THR 21 -10.643 -13.204 9.164 183 H TRP 22 H TRP 22 -9.623 -10.330 8.045 184 HA TRP 22 HA TRP 22 -8.044 -9.699 5.569 185 1HB TRP 22 2HB TRP 22 -8.426 -8.057 8.099 186 2HB TRP 22 1HB TRP 22 -7.631 -7.526 6.619 187 HD1 TRP 22 HD TRP 22 -11.092 -8.571 7.917 188 HE1 TRP 22 1HE TRP 22 -12.893 -7.489 6.432 189 HE3 TRP 22 3HE TRP 22 -8.126 -6.417 4.369 190 HZ2 TRP 22 2HZ TRP 22 -13.060 -5.920 4.055 191 HZ3 TRP 22 3HZ TRP 22 -9.132 -5.139 2.501 192 HH2 TRP 22 HH TRP 22 -11.595 -4.888 2.338 193 H ARG 23 H ARG 23 -5.927 -10.339 5.612 194 HA ARG 23 HA ARG 23 -4.819 -11.425 8.161 195 1HB ARG 23 2HB ARG 23 -4.209 -11.735 5.213 196 2HB ARG 23 1HB ARG 23 -3.126 -12.364 6.457 197 1HG ARG 23 2HG ARG 23 -4.565 -14.035 7.059 198 2HG ARG 23 1HG ARG 23 -5.994 -13.031 6.808 199 1HD ARG 23 2HD ARG 23 -6.321 -14.213 4.896 200 2HD ARG 23 1HD ARG 23 -4.923 -13.344 4.235 201 HE ARG 23 HE ARG 23 -3.796 -15.379 5.763 202 1HH1 ARG 23 1HH2 ARG 23 -6.083 -15.200 3.146 203 2HH1 ARG 23 2HH2 ARG 23 -5.655 -16.749 2.508 204 1HH2 ARG 23 1HH1 ARG 23 -3.248 -17.399 4.923 205 2HH2 ARG 23 2HH1 ARG 23 -4.056 -17.992 3.510 206 HA PRO 24 HA PRO 24 -2.075 -7.972 8.479 207 1HB PRO 24 2HB PRO 24 -0.222 -9.080 10.161 208 2HB PRO 24 1HB PRO 24 -1.827 -8.555 10.704 209 1HG PRO 24 2HG PRO 24 -0.838 -11.291 10.094 210 2HG PRO 24 1HG PRO 24 -1.947 -10.747 11.361 211 1HD PRO 24 2HD PRO 24 -2.750 -11.967 9.048 212 2HD PRO 24 1HD PRO 24 -3.768 -10.858 9.992 213 H ARG 25 H ARG 25 -0.607 -7.368 6.951 214 HA ARG 25 HA ARG 25 1.529 -9.300 6.110 215 1HB ARG 25 2HB ARG 25 -0.404 -7.642 4.471 216 2HB ARG 25 1HB ARG 25 1.103 -8.250 3.784 217 1HG ARG 25 2HG ARG 25 -0.080 -10.426 5.156 218 2HG ARG 25 1HG ARG 25 -1.371 -9.663 4.229 219 1HD ARG 25 2HD ARG 25 1.023 -9.787 2.612 220 2HD ARG 25 1HD ARG 25 0.625 -11.402 3.231 221 HE ARG 25 HE ARG 25 -1.831 -10.393 2.470 222 1HH1 ARG 25 1HH2 ARG 25 1.246 -10.820 0.910 223 2HH1 ARG 25 2HH2 ARG 25 0.557 -10.957 -0.671 224 1HH2 ARG 25 1HH1 ARG 25 -2.718 -10.578 0.417 225 2HH2 ARG 25 2HH1 ARG 25 -1.683 -10.816 -0.951 226 H TYR 26 H TYR 26 3.547 -8.300 5.739 227 HA TYR 26 HA TYR 26 3.961 -5.657 6.895 228 1HB TYR 26 2HB TYR 26 5.496 -7.699 6.912 229 2HB TYR 26 1HB TYR 26 5.846 -7.347 5.222 230 HD1 TYR 26 1HD TYR 26 7.863 -6.253 4.896 231 HD2 TYR 26 2HD TYR 26 5.538 -5.335 8.391 232 HE1 TYR 26 1HE TYR 26 9.579 -4.611 5.606 233 HE2 TYR 26 2HE TYR 26 7.252 -3.689 9.098 234 HH TYR 26 HH TYR 26 9.846 -2.709 7.013 235 H PHE 27 H PHE 27 2.971 -4.032 5.645 236 HA PHE 27 HA PHE 27 3.577 -3.952 2.721 237 1HB PHE 27 2HB PHE 27 1.351 -3.244 4.476 238 2HB PHE 27 1HB PHE 27 1.773 -1.925 3.386 239 HD1 PHE 27 1HD PHE 27 1.956 -2.406 0.889 240 HD2 PHE 27 2HD PHE 27 0.213 -5.168 3.679 241 HE1 PHE 27 1HE PHE 27 0.835 -3.585 -0.982 242 HE2 PHE 27 2HE PHE 27 -0.906 -6.350 1.807 243 HZ PHE 27 HZ PHE 27 -0.595 -5.558 -0.524 244 H LEU 28 H LEU 28 4.918 -2.377 1.920 245 HA LEU 28 HA LEU 28 5.643 -0.080 3.713 246 1HB LEU 28 2HB LEU 28 7.991 -0.402 2.876 247 2HB LEU 28 1HB LEU 28 7.399 -1.762 3.827 248 HG LEU 28 HG LEU 28 6.674 -2.201 1.091 249 1HD1 LEU 28 1HD1 LEU 28 9.656 -2.007 1.329 250 2HD1 LEU 28 2HD1 LEU 28 8.739 -0.556 0.926 251 3HD1 LEU 28 3HD1 LEU 28 8.646 -1.974 -0.116 252 1HD2 LEU 28 1HD2 LEU 28 6.970 -4.020 2.622 253 2HD2 LEU 28 2HD2 LEU 28 8.597 -3.487 3.044 254 3HD2 LEU 28 3HD2 LEU 28 8.277 -4.161 1.446 255 H LEU 29 H LEU 29 5.696 1.896 2.676 256 HA LEU 29 HA LEU 29 5.042 1.920 -0.242 257 1HB LEU 29 2HB LEU 29 3.965 3.210 1.927 258 2HB LEU 29 1HB LEU 29 5.082 4.433 1.325 259 HG LEU 29 HG LEU 29 2.932 3.032 -0.298 260 1HD1 LEU 29 1HD1 LEU 29 2.068 4.730 1.273 261 2HD1 LEU 29 2HD1 LEU 29 1.917 5.278 -0.396 262 3HD1 LEU 29 3HD1 LEU 29 3.209 5.909 0.626 263 1HD2 LEU 29 1HD2 LEU 29 5.080 5.036 -1.028 264 2HD2 LEU 29 2HD2 LEU 29 3.620 4.836 -1.997 265 3HD2 LEU 29 3HD2 LEU 29 4.735 3.485 -1.794 266 H LYS 30 H LYS 30 6.625 2.435 -1.678 267 HA LYS 30 HA LYS 30 9.218 3.500 -0.689 268 1HB LYS 30 2HB LYS 30 8.179 2.125 -3.160 269 2HB LYS 30 1HB LYS 30 9.735 2.953 -3.205 270 1HG LYS 30 2HG LYS 30 9.662 1.407 -0.810 271 2HG LYS 30 1HG LYS 30 9.135 0.365 -2.133 272 1HD LYS 30 2HD LYS 30 11.504 2.110 -2.632 273 2HD LYS 30 1HD LYS 30 11.731 0.724 -1.566 274 1HE LYS 30 2HE LYS 30 10.763 -0.759 -3.333 275 2HE LYS 30 1HE LYS 30 10.665 0.647 -4.413 276 1HZ LYS 30 1HZ LYS 30 12.762 -0.567 -4.702 277 2HZ LYS 30 2HZ LYS 30 13.141 -0.310 -3.066 278 3HZ LYS 30 3HZ LYS 30 13.029 1.009 -4.133 279 H SER 31 H SER 31 10.297 5.024 -2.446 280 HA SER 31 HA SER 31 8.710 7.466 -2.584 281 1HB SER 31 2HB SER 31 11.283 7.022 -2.293 282 2HB SER 31 1HB SER 31 11.291 6.968 -4.053 283 HG SER 31 HG SER 31 10.286 9.043 -4.013 284 H ASP 32 H ASP 32 8.713 4.731 -4.558 285 HA ASP 32 HA ASP 32 8.441 6.124 -7.145 286 1HB ASP 32 2HB ASP 32 9.515 3.835 -6.639 287 2HB ASP 32 1HB ASP 32 7.870 3.230 -6.460 288 H GLY 33 H GLY 33 6.387 5.567 -4.509 289 1HA GLY 33 2HA GLY 33 4.071 6.037 -4.353 290 2HA GLY 33 1HA GLY 33 4.013 6.189 -6.112 291 H SER 34 H SER 34 5.314 3.462 -4.258 292 HA SER 34 HA SER 34 3.044 1.764 -5.217 293 1HB SER 34 2HB SER 34 5.041 1.704 -6.748 294 2HB SER 34 1HB SER 34 6.003 1.105 -5.400 295 HG SER 34 HG SER 34 3.764 -0.111 -6.656 296 H PHE 35 H PHE 35 2.262 0.561 -3.557 297 HA PHE 35 HA PHE 35 3.787 0.358 -1.014 298 1HB PHE 35 2HB PHE 35 1.095 0.695 -1.809 299 2HB PHE 35 1HB PHE 35 1.175 -0.922 -1.116 300 HD1 PHE 35 1HD PHE 35 0.283 2.213 -0.255 301 HD2 PHE 35 2HD PHE 35 3.061 -0.802 1.028 302 HE1 PHE 35 1HE PHE 35 0.289 3.189 2.022 303 HE2 PHE 35 2HE PHE 35 3.068 0.176 3.307 304 HZ PHE 35 HZ PHE 35 1.680 2.170 3.801 305 H ILE 36 H ILE 36 4.987 -1.497 -0.654 306 HA ILE 36 HA ILE 36 4.373 -3.917 -2.304 307 HB ILE 36 HB ILE 36 6.765 -2.723 -0.941 308 1HG1 ILE 36 2HG1 ILE 36 7.791 -3.570 -3.126 309 2HG1 ILE 36 1HG1 ILE 36 6.154 -4.002 -3.617 310 1HG2 ILE 36 1HG2 ILE 36 6.910 -4.876 0.051 311 2HG2 ILE 36 2HG2 ILE 36 7.931 -4.980 -1.383 312 3HG2 ILE 36 3HG2 ILE 36 6.311 -5.675 -1.403 313 1HD1 ILE 36 1HD1 ILE 36 6.775 -1.224 -2.627 314 2HD1 ILE 36 2HD1 ILE 36 5.436 -1.760 -3.642 315 3HD1 ILE 36 3HD1 ILE 36 7.066 -1.667 -4.309 316 H GLY 37 H GLY 37 3.290 -5.535 -1.325 317 1HA GLY 37 2HA GLY 37 3.099 -5.594 1.640 318 2HA GLY 37 1HA GLY 37 2.005 -6.413 0.527 319 H TYR 38 H TYR 38 4.157 -7.112 2.776 320 HA TYR 38 HA TYR 38 5.367 -9.442 1.314 321 1HB TYR 38 2HB TYR 38 6.301 -7.453 3.272 322 2HB TYR 38 1HB TYR 38 6.694 -9.105 3.732 323 HD1 TYR 38 1HD TYR 38 7.954 -6.352 2.080 324 HD2 TYR 38 2HD TYR 38 7.452 -10.582 1.527 325 HE1 TYR 38 1HE TYR 38 9.844 -6.365 0.475 326 HE2 TYR 38 2HE TYR 38 9.342 -10.593 -0.079 327 HH TYR 38 HH TYR 38 10.399 -8.579 -1.690 328 H LYS 39 H LYS 39 4.917 -11.498 2.144 329 HA LYS 39 HA LYS 39 2.706 -11.933 3.921 330 1HB LYS 39 2HB LYS 39 4.363 -13.402 2.204 331 2HB LYS 39 1HB LYS 39 4.675 -14.099 3.794 332 1HG LYS 39 2HG LYS 39 2.655 -15.097 3.847 333 2HG LYS 39 1HG LYS 39 1.834 -13.606 3.390 334 1HD LYS 39 2HD LYS 39 1.361 -14.887 1.524 335 2HD LYS 39 1HD LYS 39 2.889 -14.172 1.007 336 1HE LYS 39 2HE LYS 39 4.107 -16.177 1.793 337 2HE LYS 39 1HE LYS 39 2.573 -16.900 2.319 338 1HZ LYS 39 1HZ LYS 39 3.134 -17.633 0.082 339 2HZ LYS 39 2HZ LYS 39 3.224 -16.023 -0.451 340 3HZ LYS 39 3HZ LYS 39 1.736 -16.673 0.050 341 H GLU 40 H GLU 40 6.228 -12.095 4.423 342 HA GLU 40 HA GLU 40 5.811 -11.722 7.363 343 1HB GLU 40 2HB GLU 40 7.196 -13.897 5.838 344 2HB GLU 40 1HB GLU 40 7.943 -13.363 7.343 345 1HG GLU 40 2HG GLU 40 6.492 -14.691 8.441 346 2HG GLU 40 1HG GLU 40 5.206 -13.595 7.936 347 H ARG 41 H ARG 41 7.066 -10.011 8.046 348 HA ARG 41 HA ARG 41 8.536 -8.284 6.460 349 1HB ARG 41 2HB ARG 41 9.659 -7.632 8.640 350 2HB ARG 41 1HB ARG 41 7.903 -7.726 8.709 351 1HG ARG 41 2HG ARG 41 7.968 -9.843 9.833 352 2HG ARG 41 1HG ARG 41 9.688 -10.039 9.509 353 1HD ARG 41 2HD ARG 41 8.539 -7.800 11.207 354 2HD ARG 41 1HD ARG 41 9.225 -9.299 11.865 355 HE ARG 41 HE ARG 41 11.206 -8.457 10.161 356 1HH1 ARG 41 1HH2 ARG 41 9.382 -6.866 12.662 357 2HH1 ARG 41 2HH2 ARG 41 10.667 -5.786 13.076 358 1HH2 ARG 41 1HH1 ARG 41 12.872 -7.047 10.718 359 2HH2 ARG 41 2HH1 ARG 41 12.636 -5.886 11.979 360 HA PRO 42 HA PRO 42 12.091 -10.985 5.752 361 1HB PRO 42 2HB PRO 42 12.467 -10.247 3.151 362 2HB PRO 42 1HB PRO 42 11.269 -11.455 3.645 363 1HG PRO 42 2HG PRO 42 10.869 -8.733 2.671 364 2HG PRO 42 1HG PRO 42 9.727 -10.078 2.768 365 1HD PRO 42 2HD PRO 42 9.998 -7.829 4.547 366 2HD PRO 42 1HD PRO 42 8.793 -9.133 4.586 367 H GLU 43 H GLU 43 14.364 -10.436 5.486 368 HA GLU 43 HA GLU 43 14.962 -7.504 5.334 369 1HB GLU 43 2HB GLU 43 15.442 -9.502 7.472 370 2HB GLU 43 1HB GLU 43 16.824 -8.470 7.100 371 1HG GLU 43 2HG GLU 43 15.873 -6.733 8.166 372 2HG GLU 43 1HG GLU 43 14.423 -6.873 7.172 373 H ALA 44 H ALA 44 16.455 -10.774 5.315 374 HA ALA 44 HA ALA 44 18.108 -11.700 3.912 375 1HB ALA 44 1HB ALA 44 17.901 -9.295 2.125 376 2HB ALA 44 2HB ALA 44 16.497 -10.347 2.294 377 3HB ALA 44 3HB ALA 44 18.018 -11.000 1.691 378 HA PRO 45 HA PRO 45 21.870 -9.666 4.947 379 1HB PRO 45 2HB PRO 45 23.582 -10.588 3.019 380 2HB PRO 45 1HB PRO 45 22.980 -11.605 4.343 381 1HG PRO 45 2HG PRO 45 22.137 -11.505 1.501 382 2HG PRO 45 1HG PRO 45 22.227 -12.883 2.607 383 1HD PRO 45 2HD PRO 45 19.901 -11.571 1.917 384 2HD PRO 45 1HD PRO 45 20.116 -12.550 3.383 385 H ASP 46 H ASP 46 21.222 -9.554 1.422 386 HA ASP 46 HA ASP 46 22.148 -6.697 1.413 387 1HB ASP 46 2HB ASP 46 22.358 -8.913 -0.655 388 2HB ASP 46 1HB ASP 46 22.746 -7.228 -0.999 389 H GLN 47 H GLN 47 20.300 -8.849 -0.785 390 HA GLN 47 HA GLN 47 17.768 -7.517 -0.382 391 1HB GLN 47 2HB GLN 47 19.222 -5.771 -1.547 392 2HB GLN 47 1HB GLN 47 19.222 -6.835 -2.954 393 1HG GLN 47 2HG GLN 47 17.424 -5.294 -3.298 394 2HG GLN 47 1HG GLN 47 16.674 -6.813 -2.808 395 1HE2 GLN 47 1HE2 GLN 47 15.512 -6.849 -0.810 396 2HE2 GLN 47 2HE2 GLN 47 15.332 -5.484 0.182 397 H THR 48 H THR 48 17.931 -10.104 -0.329 398 HA THR 48 HA THR 48 17.282 -11.123 -3.075 399 HB THR 48 HB THR 48 19.353 -11.975 -1.941 400 HG1 THR 48 1HG THR 48 18.633 -13.444 -3.305 401 1HG2 THR 48 1HG2 THR 48 18.208 -13.806 -0.111 402 2HG2 THR 48 2HG2 THR 48 17.523 -12.226 0.266 403 3HG2 THR 48 3HG2 THR 48 19.272 -12.448 0.251 404 H LEU 49 H LEU 49 15.233 -9.900 -1.872 405 HA LEU 49 HA LEU 49 13.562 -12.087 -0.669 406 1HB LEU 49 2HB LEU 49 13.423 -9.069 -0.344 407 2HB LEU 49 1HB LEU 49 12.355 -10.226 0.448 408 HG LEU 49 HG LEU 49 15.367 -10.259 0.767 409 1HD1 LEU 49 1HD1 LEU 49 14.544 -9.393 3.148 410 2HD1 LEU 49 2HD1 LEU 49 13.228 -8.722 2.185 411 3HD1 LEU 49 3HD1 LEU 49 14.898 -8.266 1.840 412 1HD2 LEU 49 1HD2 LEU 49 14.779 -12.316 1.570 413 2HD2 LEU 49 2HD2 LEU 49 13.083 -11.867 1.755 414 3HD2 LEU 49 3HD2 LEU 49 14.257 -11.407 2.988 415 HA PRO 50 HA PRO 50 11.290 -11.409 -4.479 416 1HB PRO 50 2HB PRO 50 9.523 -13.467 -4.129 417 2HB PRO 50 1HB PRO 50 11.186 -13.712 -4.694 418 1HG PRO 50 2HG PRO 50 10.017 -14.163 -2.007 419 2HG PRO 50 1HG PRO 50 11.286 -15.059 -2.854 420 1HD PRO 50 2HD PRO 50 11.729 -13.221 -0.844 421 2HD PRO 50 1HD PRO 50 12.934 -13.713 -2.053 422 HA PRO 51 HA PRO 51 8.079 -8.986 -2.531 423 1HB PRO 51 2HB PRO 51 6.907 -8.059 -4.828 424 2HB PRO 51 1HB PRO 51 8.425 -7.407 -4.180 425 1HG PRO 51 2HG PRO 51 7.997 -9.366 -6.383 426 2HG PRO 51 1HG PRO 51 9.151 -8.028 -6.273 427 1HD PRO 51 2HD PRO 51 9.848 -10.616 -5.848 428 2HD PRO 51 1HD PRO 51 10.656 -9.253 -5.044 429 H LEU 52 H LEU 52 5.961 -9.439 -1.937 430 HA LEU 52 HA LEU 52 4.666 -11.799 -3.227 431 1HB LEU 52 2HB LEU 52 4.850 -10.582 -0.542 432 2HB LEU 52 1HB LEU 52 3.231 -11.136 -0.959 433 HG LEU 52 HG LEU 52 4.556 -12.911 0.160 434 1HD1 LEU 52 1HD1 LEU 52 3.799 -13.313 -2.741 435 2HD1 LEU 52 2HD1 LEU 52 2.850 -13.702 -1.307 436 3HD1 LEU 52 3HD1 LEU 52 4.288 -14.646 -1.695 437 1HD2 LEU 52 1HD2 LEU 52 6.787 -12.247 -0.629 438 2HD2 LEU 52 2HD2 LEU 52 6.338 -12.646 -2.286 439 3HD2 LEU 52 3HD2 LEU 52 6.461 -13.920 -1.075 440 H ASN 53 H ASN 53 3.677 -8.631 -1.852 441 HA ASN 53 HA ASN 53 1.467 -8.533 -3.888 442 1HB ASN 53 2HB ASN 53 1.480 -8.408 -1.068 443 2HB ASN 53 1HB ASN 53 1.184 -6.754 -1.608 444 1HD2 ASN 53 1HD2 ASN 53 -0.740 -6.379 -2.996 445 2HD2 ASN 53 2HD2 ASN 53 -2.007 -7.508 -3.027 446 H ASN 54 H ASN 54 1.515 -6.794 -5.297 447 HA ASN 54 HA ASN 54 3.407 -4.545 -4.655 448 1HB ASN 54 2HB ASN 54 2.809 -6.112 -7.160 449 2HB ASN 54 1HB ASN 54 3.445 -4.474 -7.283 450 1HD2 ASN 54 1HD2 ASN 54 5.530 -4.077 -5.941 451 2HD2 ASN 54 2HD2 ASN 54 6.637 -5.360 -5.839 452 H PHE 55 H PHE 55 2.093 -2.849 -4.071 453 HA PHE 55 HA PHE 55 -0.494 -2.407 -5.500 454 1HB PHE 55 2HB PHE 55 0.149 -2.404 -2.872 455 2HB PHE 55 1HB PHE 55 0.464 -0.711 -3.234 456 HD1 PHE 55 1HD PHE 55 -1.908 -2.610 -1.809 457 HD2 PHE 55 2HD PHE 55 -1.543 0.069 -5.147 458 HE1 PHE 55 1HE PHE 55 -4.338 -2.133 -1.690 459 HE2 PHE 55 2HE PHE 55 -3.975 0.543 -5.031 460 HZ PHE 55 HZ PHE 55 -5.373 -0.556 -3.301 461 H SER 56 H SER 56 -0.401 -0.971 -7.220 462 HA SER 56 HA SER 56 1.821 1.036 -7.266 463 1HB SER 56 2HB SER 56 0.080 -0.332 -9.309 464 2HB SER 56 1HB SER 56 0.936 1.150 -9.728 465 HG SER 56 HG SER 56 2.575 -0.131 -10.026 466 H VAL 57 H VAL 57 1.330 3.141 -6.856 467 HA VAL 57 HA VAL 57 -1.355 4.200 -7.575 468 HB VAL 57 HB VAL 57 -1.542 3.335 -5.284 469 1HG1 VAL 57 1HG1 VAL 57 -0.123 4.119 -3.482 470 2HG1 VAL 57 2HG1 VAL 57 0.719 5.223 -4.566 471 3HG1 VAL 57 3HG1 VAL 57 0.909 3.481 -4.761 472 1HG2 VAL 57 1HG2 VAL 57 -2.631 5.177 -4.438 473 2HG2 VAL 57 2HG2 VAL 57 -2.365 5.762 -6.079 474 3HG2 VAL 57 3HG2 VAL 57 -1.286 6.264 -4.778 475 H ALA 58 H ALA 58 0.605 4.977 -9.114 476 HA ALA 58 HA ALA 58 2.136 7.259 -8.022 477 1HB ALA 58 1HB ALA 58 3.098 7.270 -10.278 478 2HB ALA 58 2HB ALA 58 1.837 6.176 -10.845 479 3HB ALA 58 3HB ALA 58 3.035 5.612 -9.680 480 H GLU 59 H GLU 59 -0.411 6.730 -10.484 481 HA GLU 59 HA GLU 59 -1.230 9.598 -10.146 482 1HB GLU 59 2HB GLU 59 -0.741 7.894 -12.584 483 2HB GLU 59 1HB GLU 59 -1.881 9.236 -12.671 484 1HG GLU 59 2HG GLU 59 0.828 9.715 -11.473 485 2HG GLU 59 1HG GLU 59 0.675 9.627 -13.227 486 H CYS 60 H CYS 60 -2.472 7.827 -8.539 487 HA CYS 60 HA CYS 60 -5.096 7.287 -9.894 488 1HB CYS 60 2HB CYS 60 -3.194 5.510 -8.686 489 2HB CYS 60 1HB CYS 60 -4.656 5.510 -7.700 490 H GLN 61 H GLN 61 -6.952 7.357 -8.389 491 HA GLN 61 HA GLN 61 -6.510 9.325 -6.185 492 1HB GLN 61 2HB GLN 61 -8.086 9.931 -7.938 493 2HB GLN 61 1HB GLN 61 -8.938 8.400 -7.757 494 1HG GLN 61 2HG GLN 61 -8.677 10.033 -5.290 495 2HG GLN 61 1HG GLN 61 -9.734 10.688 -6.540 496 1HE2 GLN 61 1HE2 GLN 61 -9.951 8.887 -3.820 497 2HE2 GLN 61 2HE2 GLN 61 -11.222 7.843 -4.239 498 H LEU 62 H LEU 62 -6.708 8.661 -4.084 499 HA LEU 62 HA LEU 62 -7.996 6.002 -3.536 500 1HB LEU 62 2HB LEU 62 -6.331 5.715 -1.809 501 2HB LEU 62 1HB LEU 62 -5.484 6.231 -3.264 502 HG LEU 62 HG LEU 62 -6.228 8.609 -1.929 503 1HD1 LEU 62 1HD1 LEU 62 -4.739 6.834 0.000 504 2HD1 LEU 62 2HD1 LEU 62 -6.502 6.916 0.033 505 3HD1 LEU 62 3HD1 LEU 62 -5.544 8.372 0.310 506 1HD2 LEU 62 1HD2 LEU 62 -3.720 8.742 -1.566 507 2HD2 LEU 62 2HD2 LEU 62 -4.208 8.399 -3.226 508 3HD2 LEU 62 3HD2 LEU 62 -3.615 7.097 -2.195 509 H MET 63 H MET 63 -9.098 5.854 -1.423 510 HA MET 63 HA MET 63 -9.871 8.487 -0.229 511 1HB MET 63 2HB MET 63 -12.226 7.822 -0.379 512 2HB MET 63 1HB MET 63 -11.495 7.772 -1.981 513 1HG MET 63 2HG MET 63 -11.073 5.214 -0.832 514 2HG MET 63 1HG MET 63 -12.753 5.636 -0.506 515 1HE MET 63 1HE MET 63 -14.214 6.667 -1.984 516 2HE MET 63 2HE MET 63 -14.665 5.066 -2.565 517 3HE MET 63 3HE MET 63 -14.379 6.366 -3.719 518 H LYS 64 H LYS 64 -10.535 8.340 1.980 519 HA LYS 64 HA LYS 64 -9.614 5.874 3.367 520 1HB LYS 64 2HB LYS 64 -9.587 7.339 5.339 521 2HB LYS 64 1HB LYS 64 -8.755 8.128 4.001 522 1HG LYS 64 2HG LYS 64 -11.430 8.900 3.700 523 2HG LYS 64 1HG LYS 64 -11.148 8.970 5.439 524 1HD LYS 64 2HD LYS 64 -9.031 10.105 3.667 525 2HD LYS 64 1HD LYS 64 -10.532 11.019 3.821 526 1HE LYS 64 2HE LYS 64 -10.284 10.837 6.341 527 2HE LYS 64 1HE LYS 64 -8.662 10.173 6.059 528 1HZ LYS 64 1HZ LYS 64 -8.103 12.122 4.763 529 2HZ LYS 64 2HZ LYS 64 -8.623 12.601 6.309 530 3HZ LYS 64 3HZ LYS 64 -9.663 12.756 4.976 531 H THR 65 H THR 65 -10.995 4.650 4.690 532 HA THR 65 HA THR 65 -13.827 5.509 5.017 533 HB THR 65 HB THR 65 -13.816 4.369 2.883 534 HG1 THR 65 1HG THR 65 -15.105 2.558 3.399 535 1HG2 THR 65 1HG2 THR 65 -11.821 2.690 4.226 536 2HG2 THR 65 2HG2 THR 65 -12.036 3.024 2.508 537 3HG2 THR 65 3HG2 THR 65 -12.993 1.765 3.290 538 H GLU 66 H GLU 66 -14.998 3.615 6.305 539 HA GLU 66 HA GLU 66 -13.089 2.439 8.297 540 1HB GLU 66 2HB GLU 66 -14.820 3.079 10.022 541 2HB GLU 66 1HB GLU 66 -14.046 4.455 9.242 542 1HG GLU 66 2HG GLU 66 -16.364 3.645 7.716 543 2HG GLU 66 1HG GLU 66 -16.815 3.913 9.399 544 H ARG 67 H ARG 67 -14.542 1.237 5.957 545 HA ARG 67 HA ARG 67 -16.085 -0.840 7.470 546 1HB ARG 67 2HB ARG 67 -17.217 1.054 5.891 547 2HB ARG 67 1HB ARG 67 -16.861 -0.171 4.674 548 1HG ARG 67 2HG ARG 67 -19.009 -0.773 5.417 549 2HG ARG 67 1HG ARG 67 -17.957 -1.833 6.354 550 1HD ARG 67 2HD ARG 67 -18.428 0.790 7.627 551 2HD ARG 67 1HD ARG 67 -19.884 -0.208 7.464 552 HE ARG 67 HE ARG 67 -17.472 -0.906 9.025 553 1HH1 ARG 67 1HH2 ARG 67 -20.483 -1.925 7.597 554 2HH1 ARG 67 2HH2 ARG 67 -20.626 -3.318 8.611 555 1HH2 ARG 67 1HH1 ARG 67 -17.666 -2.731 10.326 556 2HH2 ARG 67 2HH1 ARG 67 -19.042 -3.769 10.156 557 HA PRO 68 HA PRO 68 -16.751 -2.764 7.302 558 1HB PRO 68 2HB PRO 68 -15.592 -5.020 8.328 559 2HB PRO 68 1HB PRO 68 -16.548 -5.013 6.833 560 1HG PRO 68 2HG PRO 68 -13.594 -5.019 7.190 561 2HG PRO 68 1HG PRO 68 -14.590 -5.872 6.001 562 1HD PRO 68 2HD PRO 68 -13.202 -3.602 5.439 563 2HD PRO 68 1HD PRO 68 -14.696 -4.068 4.600 564 H ARG 69 H ARG 69 -13.249 -2.578 7.862 565 HA ARG 69 HA ARG 69 -13.711 -2.013 10.762 566 1HB ARG 69 2HB ARG 69 -11.205 -2.561 9.140 567 2HB ARG 69 1HB ARG 69 -11.260 -2.377 10.891 568 1HG ARG 69 2HG ARG 69 -13.098 -4.288 10.691 569 2HG ARG 69 1HG ARG 69 -12.238 -4.637 9.191 570 1HD ARG 69 2HD ARG 69 -10.972 -4.471 11.955 571 2HD ARG 69 1HD ARG 69 -11.262 -5.958 11.033 572 HE ARG 69 HE ARG 69 -9.839 -4.399 9.254 573 1HH1 ARG 69 1HH2 ARG 69 -9.333 -5.421 12.548 574 2HH1 ARG 69 2HH2 ARG 69 -7.607 -5.350 12.429 575 1HH2 ARG 69 1HH1 ARG 69 -7.580 -4.306 9.127 576 2HH2 ARG 69 2HH1 ARG 69 -6.619 -4.717 10.509 577 HA PRO 70 HA PRO 70 -12.891 2.283 10.204 578 1HB PRO 70 2HB PRO 70 -11.621 2.888 12.552 579 2HB PRO 70 1HB PRO 70 -13.363 2.564 12.449 580 1HG PRO 70 2HG PRO 70 -11.154 0.767 13.320 581 2HG PRO 70 1HG PRO 70 -12.785 0.954 13.984 582 1HD PRO 70 2HD PRO 70 -12.064 -1.102 12.356 583 2HD PRO 70 1HD PRO 70 -13.719 -0.457 12.437 584 H ASN 71 H ASN 71 -11.053 3.882 10.073 585 HA ASN 71 HA ASN 71 -8.913 4.485 9.276 586 1HB ASN 71 2HB ASN 71 -8.267 2.096 11.040 587 2HB ASN 71 1HB ASN 71 -7.050 3.183 10.379 588 1HD2 ASN 71 1HD2 ASN 71 -9.547 2.858 12.830 589 2HD2 ASN 71 2HD2 ASN 71 -9.267 4.355 13.579 590 H THR 72 H THR 72 -10.121 3.437 7.232 591 HA THR 72 HA THR 72 -8.371 1.230 6.179 592 HB THR 72 HB THR 72 -11.312 1.854 5.783 593 HG1 THR 72 1HG THR 72 -11.501 0.460 7.317 594 1HG2 THR 72 1HG2 THR 72 -10.304 1.074 3.669 595 2HG2 THR 72 2HG2 THR 72 -11.366 -0.155 4.355 596 3HG2 THR 72 3HG2 THR 72 -9.617 -0.316 4.511 597 H PHE 73 H PHE 73 -7.848 1.344 3.932 598 HA PHE 73 HA PHE 73 -8.299 4.015 2.631 599 1HB PHE 73 2HB PHE 73 -5.901 2.278 3.054 600 2HB PHE 73 1HB PHE 73 -5.986 3.201 1.554 601 HD1 PHE 73 1HD PHE 73 -6.504 5.731 1.746 602 HD2 PHE 73 2HD PHE 73 -5.199 3.310 5.045 603 HE1 PHE 73 1HE PHE 73 -5.786 7.773 2.958 604 HE2 PHE 73 2HE PHE 73 -4.482 5.351 6.256 605 HZ PHE 73 HZ PHE 73 -4.776 7.581 5.214 606 H VAL 74 H VAL 74 -9.315 3.837 0.657 607 HA VAL 74 HA VAL 74 -9.204 1.189 -0.762 608 HB VAL 74 HB VAL 74 -11.537 3.072 -0.260 609 1HG1 VAL 74 1HG1 VAL 74 -12.870 1.349 -1.506 610 2HG1 VAL 74 2HG1 VAL 74 -11.356 0.582 -1.983 611 3HG1 VAL 74 3HG1 VAL 74 -11.726 2.218 -2.529 612 1HG2 VAL 74 1HG2 VAL 74 -12.418 1.361 1.105 613 2HG2 VAL 74 2HG2 VAL 74 -10.700 1.344 1.503 614 3HG2 VAL 74 3HG2 VAL 74 -11.362 0.134 0.405 615 H ILE 75 H ILE 75 -9.020 1.334 -3.029 616 HA ILE 75 HA ILE 75 -8.804 4.106 -4.164 617 HB ILE 75 HB ILE 75 -6.640 2.916 -3.729 618 1HG1 ILE 75 2HG1 ILE 75 -6.854 2.985 -6.698 619 2HG1 ILE 75 1HG1 ILE 75 -7.300 4.455 -5.836 620 1HG2 ILE 75 1HG2 ILE 75 -6.049 0.975 -5.101 621 2HG2 ILE 75 2HG2 ILE 75 -7.643 0.996 -5.855 622 3HG2 ILE 75 3HG2 ILE 75 -7.482 0.614 -4.140 623 1HD1 ILE 75 1HD1 ILE 75 -5.159 4.878 -5.191 624 2HD1 ILE 75 2HD1 ILE 75 -4.736 3.803 -6.524 625 3HD1 ILE 75 3HD1 ILE 75 -4.817 3.176 -4.878 626 H ARG 76 H ARG 76 -9.807 4.427 -6.158 627 HA ARG 76 HA ARG 76 -11.501 2.189 -7.161 628 1HB ARG 76 2HB ARG 76 -12.521 4.346 -6.522 629 2HB ARG 76 1HB ARG 76 -11.499 5.178 -7.692 630 1HG ARG 76 2HG ARG 76 -12.690 3.147 -9.185 631 2HG ARG 76 1HG ARG 76 -13.984 3.704 -8.123 632 1HD ARG 76 2HD ARG 76 -12.251 5.597 -9.736 633 2HD ARG 76 1HD ARG 76 -13.816 4.988 -10.307 634 HE ARG 76 HE ARG 76 -14.664 5.881 -7.991 635 1HH1 ARG 76 1HH2 ARG 76 -12.135 7.317 -9.921 636 2HH1 ARG 76 2HH2 ARG 76 -12.383 8.898 -9.270 637 1HH2 ARG 76 1HH1 ARG 76 -14.971 7.954 -7.165 638 2HH2 ARG 76 2HH1 ARG 76 -13.977 9.259 -7.718 639 H CYS 77 H CYS 77 -9.801 4.920 -8.783 640 HA CYS 77 HA CYS 77 -8.615 4.999 -10.818 641 1HB CYS 77 2HB CYS 77 -7.980 2.179 -9.885 642 2HB CYS 77 1HB CYS 77 -7.080 3.058 -11.119 643 H LEU 78 H LEU 78 -8.160 3.054 -12.789 644 HA LEU 78 HA LEU 78 -10.859 2.001 -13.509 645 1HB LEU 78 2HB LEU 78 -10.501 3.041 -15.788 646 2HB LEU 78 1HB LEU 78 -10.693 4.215 -14.491 647 HG LEU 78 HG LEU 78 -7.901 3.367 -14.974 648 1HD1 LEU 78 1HD1 LEU 78 -7.705 4.878 -16.969 649 2HD1 LEU 78 2HD1 LEU 78 -9.467 4.953 -17.033 650 3HD1 LEU 78 3HD1 LEU 78 -8.640 3.417 -17.290 651 1HD2 LEU 78 1HD2 LEU 78 -8.834 6.197 -15.077 652 2HD2 LEU 78 2HD2 LEU 78 -7.458 5.499 -14.226 653 3HD2 LEU 78 3HD2 LEU 78 -9.081 5.336 -13.558 654 H GLN 79 H GLN 79 -9.261 1.731 -16.295 655 HA GLN 79 HA GLN 79 -7.984 0.072 -17.366 656 1HB GLN 79 2HB GLN 79 -6.857 0.393 -14.661 657 2HB GLN 79 1HB GLN 79 -6.519 -1.176 -15.387 658 1HG GLN 79 2HG GLN 79 -5.225 -0.278 -17.059 659 2HG GLN 79 1HG GLN 79 -6.167 1.213 -17.129 660 1HE2 GLN 79 1HE2 GLN 79 -5.700 2.888 -15.478 661 2HE2 GLN 79 2HE2 GLN 79 -4.227 2.873 -14.634 662 H TRP 80 H TRP 80 -7.734 -2.358 -17.455 663 HA TRP 80 HA TRP 80 -9.869 -3.783 -15.899 664 1HB TRP 80 2HB TRP 80 -10.065 -3.013 -18.512 665 2HB TRP 80 1HB TRP 80 -9.337 -4.609 -18.700 666 HD1 TRP 80 HD TRP 80 -12.383 -2.921 -17.043 667 HE1 TRP 80 1HE TRP 80 -14.276 -4.666 -16.863 668 HE3 TRP 80 3HE TRP 80 -9.933 -7.060 -18.755 669 HZ2 TRP 80 2HZ TRP 80 -14.690 -7.449 -17.376 670 HZ3 TRP 80 3HZ TRP 80 -11.097 -9.242 -18.899 671 HH2 TRP 80 HH TRP 80 -13.470 -9.442 -18.212 672 H THR 81 H THR 81 -9.525 -6.197 -15.941 673 HA THR 81 HA THR 81 -8.198 -8.124 -15.671 674 HB THR 81 HB THR 81 -6.158 -6.588 -17.315 675 HG1 THR 81 1HG THR 81 -8.343 -8.206 -18.125 676 1HG2 THR 81 1HG2 THR 81 -5.273 -8.626 -16.327 677 2HG2 THR 81 2HG2 THR 81 -5.532 -8.889 -18.052 678 3HG2 THR 81 3HG2 THR 81 -6.677 -9.540 -16.879 679 H THR 82 H THR 82 -5.661 -5.579 -15.719 680 HA THR 82 HA THR 82 -4.473 -6.607 -13.255 681 HB THR 82 HB THR 82 -3.214 -4.270 -13.672 682 HG1 THR 82 1HG THR 82 -4.562 -3.492 -15.250 683 1HG2 THR 82 1HG2 THR 82 -1.768 -5.476 -15.319 684 2HG2 THR 82 2HG2 THR 82 -2.990 -6.744 -15.403 685 3HG2 THR 82 3HG2 THR 82 -2.144 -6.435 -13.886 686 H VAL 83 H VAL 83 -6.150 -6.368 -11.665 687 HA VAL 83 HA VAL 83 -6.321 -3.687 -10.470 688 HB VAL 83 HB VAL 83 -8.011 -3.712 -12.311 689 1HG1 VAL 83 1HG1 VAL 83 -9.840 -5.228 -12.334 690 2HG1 VAL 83 2HG1 VAL 83 -9.485 -5.807 -10.707 691 3HG1 VAL 83 3HG1 VAL 83 -8.421 -6.235 -12.046 692 1HG2 VAL 83 1HG2 VAL 83 -9.933 -3.710 -10.174 693 2HG2 VAL 83 2HG2 VAL 83 -9.199 -2.330 -10.991 694 3HG2 VAL 83 3HG2 VAL 83 -8.418 -3.035 -9.576 695 H ILE 84 H ILE 84 -5.187 -5.981 -9.375 696 HA ILE 84 HA ILE 84 -7.143 -7.402 -7.693 697 HB ILE 84 HB ILE 84 -4.103 -7.354 -7.744 698 1HG1 ILE 84 2HG1 ILE 84 -5.487 -9.740 -8.736 699 2HG1 ILE 84 1HG1 ILE 84 -5.869 -8.300 -9.681 700 1HG2 ILE 84 1HG2 ILE 84 -6.022 -9.361 -6.519 701 2HG2 ILE 84 2HG2 ILE 84 -5.060 -8.196 -5.610 702 3HG2 ILE 84 3HG2 ILE 84 -4.263 -9.478 -6.522 703 1HD1 ILE 84 1HD1 ILE 84 -3.214 -9.629 -9.243 704 2HD1 ILE 84 2HD1 ILE 84 -3.265 -7.896 -9.565 705 3HD1 ILE 84 3HD1 ILE 84 -3.928 -9.031 -10.741 706 H GLU 85 H GLU 85 -4.558 -4.980 -7.209 707 HA GLU 85 HA GLU 85 -4.983 -4.760 -4.343 708 1HB GLU 85 2HB GLU 85 -3.440 -2.817 -4.621 709 2HB GLU 85 1HB GLU 85 -2.840 -4.266 -5.422 710 1HG GLU 85 2HG GLU 85 -4.527 -2.745 -7.225 711 2HG GLU 85 1HG GLU 85 -3.235 -1.731 -6.587 712 H ARG 86 H ARG 86 -6.652 -3.693 -3.372 713 HA ARG 86 HA ARG 86 -7.700 -1.175 -4.505 714 1HB ARG 86 2HB ARG 86 -8.830 -3.673 -5.163 715 2HB ARG 86 1HB ARG 86 -9.919 -2.970 -3.967 716 1HG ARG 86 2HG ARG 86 -9.613 -0.788 -5.427 717 2HG ARG 86 1HG ARG 86 -9.174 -1.945 -6.684 718 1HD ARG 86 2HD ARG 86 -11.368 -2.385 -7.024 719 2HD ARG 86 1HD ARG 86 -11.505 -2.942 -5.349 720 HE ARG 86 HE ARG 86 -11.990 -0.629 -4.669 721 1HH1 ARG 86 1HH2 ARG 86 -11.896 -1.193 -8.116 722 2HH1 ARG 86 2HH2 ARG 86 -12.862 0.194 -8.478 723 1HH2 ARG 86 1HH1 ARG 86 -13.242 1.161 -5.169 724 2HH2 ARG 86 2HH1 ARG 86 -13.627 1.515 -6.820 725 H THR 87 H THR 87 -8.537 -3.748 -2.126 726 HA THR 87 HA THR 87 -9.377 -1.689 -0.172 727 HB THR 87 HB THR 87 -9.971 -3.786 1.141 728 HG1 THR 87 1HG THR 87 -8.580 -5.259 0.283 729 1HG2 THR 87 1HG2 THR 87 -11.547 -4.507 -0.990 730 2HG2 THR 87 2HG2 THR 87 -11.068 -2.867 -1.425 731 3HG2 THR 87 3HG2 THR 87 -11.886 -3.169 0.108 732 H PHE 88 H PHE 88 -8.172 -1.097 1.579 733 HA PHE 88 HA PHE 88 -5.817 -2.737 2.391 734 1HB PHE 88 2HB PHE 88 -4.739 -1.261 0.934 735 2HB PHE 88 1HB PHE 88 -5.898 0.029 1.219 736 HD1 PHE 88 1HD PHE 88 -4.216 -1.878 3.938 737 HD2 PHE 88 2HD PHE 88 -4.308 1.769 1.672 738 HE1 PHE 88 1HE PHE 88 -2.678 -0.824 5.565 739 HE2 PHE 88 2HE PHE 88 -2.766 2.820 3.302 740 HZ PHE 88 HZ PHE 88 -1.952 1.523 5.249 741 H HIS 89 H HIS 89 -5.973 -2.977 4.593 742 HA HIS 89 HA HIS 89 -7.321 -0.804 6.177 743 1HB HIS 89 2HB HIS 89 -7.347 -3.827 6.425 744 2HB HIS 89 1HB HIS 89 -8.012 -2.750 7.652 745 HD1 HIS 89 1HD HIS 89 -10.424 -2.207 7.352 746 HD2 HIS 89 2HD HIS 89 -8.624 -3.195 3.727 747 HE1 HIS 89 1HE HIS 89 -12.253 -2.154 5.606 748 H VAL 90 H VAL 90 -6.410 -0.353 8.251 749 HA VAL 90 HA VAL 90 -3.646 -1.451 8.679 750 HB VAL 90 HB VAL 90 -3.214 0.694 9.822 751 1HG1 VAL 90 1HG1 VAL 90 -4.100 0.494 7.020 752 2HG1 VAL 90 2HG1 VAL 90 -2.610 1.157 7.688 753 3HG1 VAL 90 3HG1 VAL 90 -4.075 2.138 7.657 754 1HG2 VAL 90 1HG2 VAL 90 -4.865 2.053 10.540 755 2HG2 VAL 90 2HG2 VAL 90 -6.003 0.785 10.086 756 3HG2 VAL 90 3HG2 VAL 90 -5.622 2.077 8.948 757 H ASP 91 H ASP 91 -3.029 -1.774 10.977 758 HA ASP 91 HA ASP 91 -5.395 -2.616 12.608 759 1HB ASP 91 2HB ASP 91 -2.844 -3.740 11.916 760 2HB ASP 91 1HB ASP 91 -2.903 -3.532 13.666 761 H SER 92 H SER 92 -4.216 0.196 12.409 762 HA SER 92 HA SER 92 -4.244 0.773 15.285 763 1HB SER 92 2HB SER 92 -1.956 0.158 15.157 764 2HB SER 92 1HB SER 92 -1.758 0.889 13.570 765 HG SER 92 HG SER 92 -0.926 2.397 14.859 766 HA PRO 93 HA PRO 93 -5.952 4.465 13.546 767 1HB PRO 93 2HB PRO 93 -5.664 6.151 15.692 768 2HB PRO 93 1HB PRO 93 -6.905 4.884 15.613 769 1HG PRO 93 2HG PRO 93 -4.268 4.864 17.005 770 2HG PRO 93 1HG PRO 93 -5.836 4.247 17.553 771 1HD PRO 93 2HD PRO 93 -3.896 2.630 16.583 772 2HD PRO 93 1HD PRO 93 -5.627 2.281 16.374 773 H ASP 94 H ASP 94 -2.894 4.842 15.377 774 HA ASP 94 HA ASP 94 -2.036 7.258 14.060 775 1HB ASP 94 2HB ASP 94 -1.247 6.046 16.244 776 2HB ASP 94 1HB ASP 94 -0.201 5.129 15.160 777 H GLU 95 H GLU 95 -1.811 3.819 13.265 778 HA GLU 95 HA GLU 95 0.194 3.915 11.227 779 1HB GLU 95 2HB GLU 95 -1.729 2.113 12.347 780 2HB GLU 95 1HB GLU 95 -1.899 2.056 10.595 781 1HG GLU 95 2HG GLU 95 0.531 1.651 10.374 782 2HG GLU 95 1HG GLU 95 0.689 1.687 12.132 783 H ARG 96 H ARG 96 -3.379 4.121 10.983 784 HA ARG 96 HA ARG 96 -3.605 4.539 8.192 785 1HB ARG 96 2HB ARG 96 -5.448 4.062 9.754 786 2HB ARG 96 1HB ARG 96 -5.227 5.637 10.515 787 1HG ARG 96 2HG ARG 96 -5.548 5.803 7.602 788 2HG ARG 96 1HG ARG 96 -6.951 5.106 8.413 789 1HD ARG 96 2HD ARG 96 -5.827 7.479 9.776 790 2HD ARG 96 1HD ARG 96 -6.514 7.804 8.172 791 HE ARG 96 HE ARG 96 -8.142 6.084 9.932 792 1HH1 ARG 96 1HH2 ARG 96 -7.468 9.299 8.789 793 2HH1 ARG 96 2HH2 ARG 96 -9.078 9.863 9.066 794 1HH2 ARG 96 1HH1 ARG 96 -10.248 6.825 10.267 795 2HH2 ARG 96 2HH1 ARG 96 -10.648 8.470 9.899 796 H GLU 97 H GLU 97 -3.160 6.937 10.812 797 HA GLU 97 HA GLU 97 -3.246 9.282 9.158 798 1HB GLU 97 2HB GLU 97 -2.562 8.486 11.896 799 2HB GLU 97 1HB GLU 97 -1.573 9.830 11.320 800 1HG GLU 97 2HG GLU 97 -3.335 11.130 11.916 801 2HG GLU 97 1HG GLU 97 -4.076 10.547 10.427 802 H GLU 98 H GLU 98 -0.565 7.129 10.102 803 HA GLU 98 HA GLU 98 1.564 8.752 9.021 804 1HB GLU 98 2HB GLU 98 1.870 6.984 10.697 805 2HB GLU 98 1HB GLU 98 1.299 5.773 9.550 806 1HG GLU 98 2HG GLU 98 3.589 5.548 9.276 807 2HG GLU 98 1HG GLU 98 3.248 6.758 8.042 808 H TRP 99 H TRP 99 -0.455 6.152 7.647 809 HA TRP 99 HA TRP 99 1.004 5.883 5.173 810 1HB TRP 99 2HB TRP 99 -1.901 5.334 5.874 811 2HB TRP 99 1HB TRP 99 -1.056 4.694 4.464 812 HD1 TRP 99 HD TRP 99 -2.184 3.370 7.458 813 HE1 TRP 99 1HE TRP 99 -0.625 1.605 8.499 814 HE3 TRP 99 3HE TRP 99 2.118 4.374 4.895 815 HZ2 TRP 99 2HZ TRP 99 2.086 0.724 8.265 816 HZ3 TRP 99 3HZ TRP 99 4.169 3.054 5.322 817 HH2 TRP 99 HH TRP 99 4.159 1.235 7.001 818 H MET 100 H MET 100 -1.878 7.817 6.080 819 HA MET 100 HA MET 100 -2.404 8.942 3.506 820 1HB MET 100 2HB MET 100 -3.442 9.075 6.067 821 2HB MET 100 1HB MET 100 -2.809 10.705 5.836 822 1HG MET 100 2HG MET 100 -4.146 9.864 3.430 823 2HG MET 100 1HG MET 100 -5.223 9.627 4.806 824 1HE MET 100 1HE MET 100 -5.576 11.422 2.360 825 2HE MET 100 2HE MET 100 -3.970 12.137 2.229 826 3HE MET 100 3HE MET 100 -5.358 13.165 2.577 827 H ARG 101 H ARG 101 -0.356 10.138 6.191 828 HA ARG 101 HA ARG 101 0.571 12.515 4.856 829 1HB ARG 101 2HB ARG 101 0.717 11.389 7.361 830 2HB ARG 101 1HB ARG 101 2.368 11.165 6.784 831 1HG ARG 101 2HG ARG 101 2.225 13.317 7.900 832 2HG ARG 101 1HG ARG 101 2.428 13.594 6.170 833 1HD ARG 101 2HD ARG 101 0.154 14.216 5.882 834 2HD ARG 101 1HD ARG 101 -0.325 13.486 7.426 835 HE ARG 101 HE ARG 101 0.529 15.385 8.565 836 1HH1 ARG 101 1HH2 ARG 101 1.487 15.373 5.213 837 2HH1 ARG 101 2HH2 ARG 101 2.099 16.990 5.264 838 1HH2 ARG 101 1HH1 ARG 101 1.333 17.487 8.610 839 2HH2 ARG 101 2HH1 ARG 101 2.015 18.182 7.178 840 H ALA 102 H ALA 102 1.912 9.211 5.105 841 HA ALA 102 HA ALA 102 4.359 9.712 3.679 842 1HB ALA 102 1HB ALA 102 2.649 7.241 4.107 843 2HB ALA 102 2HB ALA 102 4.027 7.756 5.080 844 3HB ALA 102 3HB ALA 102 4.274 7.196 3.424 845 H ILE 103 H ILE 103 1.152 8.547 2.599 846 HA ILE 103 HA ILE 103 1.767 8.056 -0.137 847 HB ILE 103 HB ILE 103 -0.720 8.923 1.364 848 1HG1 ILE 103 2HG1 ILE 103 -0.210 6.294 -0.018 849 2HG1 ILE 103 1HG1 ILE 103 0.460 6.602 1.583 850 1HG2 ILE 103 1HG2 ILE 103 -0.323 8.409 -1.576 851 2HG2 ILE 103 2HG2 ILE 103 -1.277 9.667 -0.789 852 3HG2 ILE 103 3HG2 ILE 103 -1.858 8.003 -0.808 853 1HD1 ILE 103 1HD1 ILE 103 -2.350 6.150 0.770 854 2HD1 ILE 103 2HD1 ILE 103 -2.107 7.442 1.946 855 3HD1 ILE 103 3HD1 ILE 103 -1.552 5.807 2.305 856 H GLN 104 H GLN 104 0.684 11.060 1.482 857 HA GLN 104 HA GLN 104 0.548 12.673 -0.907 858 1HB GLN 104 2HB GLN 104 -0.126 12.895 1.757 859 2HB GLN 104 1HB GLN 104 1.238 14.005 1.634 860 1HG GLN 104 2HG GLN 104 -1.065 14.043 -0.330 861 2HG GLN 104 1HG GLN 104 -1.066 15.004 1.148 862 1HE2 GLN 104 1HE2 GLN 104 -0.153 15.083 -2.115 863 2HE2 GLN 104 2HE2 GLN 104 0.951 16.369 -2.033 864 H MET 105 H MET 105 3.155 12.081 1.467 865 HA MET 105 HA MET 105 5.019 14.016 0.460 866 1HB MET 105 2HB MET 105 4.845 12.081 2.490 867 2HB MET 105 1HB MET 105 6.229 11.587 1.518 868 1HG MET 105 2HG MET 105 7.481 13.305 2.270 869 2HG MET 105 1HG MET 105 6.197 14.469 1.946 870 1HE MET 105 1HE MET 105 5.244 15.862 3.991 871 2HE MET 105 2HE MET 105 6.985 15.794 3.737 872 3HE MET 105 3HE MET 105 6.336 15.689 5.371 873 H VAL 106 H VAL 106 4.516 10.566 -0.340 874 HA VAL 106 HA VAL 106 6.706 10.327 -2.196 875 HB VAL 106 HB VAL 106 4.049 8.877 -1.899 876 1HG1 VAL 106 1HG1 VAL 106 4.700 8.290 -4.073 877 2HG1 VAL 106 2HG1 VAL 106 5.464 7.031 -3.104 878 3HG1 VAL 106 3HG1 VAL 106 6.418 8.393 -3.692 879 1HG2 VAL 106 1HG2 VAL 106 5.884 8.891 -0.039 880 2HG2 VAL 106 2HG2 VAL 106 6.785 7.853 -1.144 881 3HG2 VAL 106 3HG2 VAL 106 5.209 7.342 -0.540 882 H ALA 107 H ALA 107 3.312 11.348 -2.573 883 HA ALA 107 HA ALA 107 3.227 11.437 -5.438 884 1HB ALA 107 1HB ALA 107 1.804 12.942 -3.224 885 2HB ALA 107 2HB ALA 107 1.219 11.534 -4.112 886 3HB ALA 107 3HB ALA 107 1.354 13.096 -4.922 887 H ASN 108 H ASN 108 4.296 13.808 -3.005 888 HA ASN 108 HA ASN 108 4.622 16.089 -4.676 889 1HB ASN 108 2HB ASN 108 5.737 15.041 -2.106 890 2HB ASN 108 1HB ASN 108 6.562 16.411 -2.847 891 1HD2 ASN 108 1HD2 ASN 108 3.670 15.426 -1.142 892 2HD2 ASN 108 2HD2 ASN 108 2.945 16.959 -1.092 893 H SER 109 H SER 109 6.940 13.457 -3.907 894 HA SER 109 HA SER 109 8.991 14.559 -5.699 895 1HB SER 109 2HB SER 109 10.049 12.287 -5.080 896 2HB SER 109 1HB SER 109 9.750 13.413 -3.760 897 HG SER 109 HG SER 109 8.450 11.029 -4.438 898 H LEU 110 H LEU 110 6.414 12.156 -5.889 899 HA LEU 110 HA LEU 110 7.242 10.620 -8.124 900 1HB LEU 110 2HB LEU 110 4.906 11.097 -6.539 901 2HB LEU 110 1HB LEU 110 4.424 11.164 -8.232 902 HG LEU 110 HG LEU 110 5.397 8.972 -8.649 903 1HD1 LEU 110 1HD1 LEU 110 7.077 8.202 -7.364 904 2HD1 LEU 110 2HD1 LEU 110 5.976 8.092 -5.991 905 3HD1 LEU 110 3HD1 LEU 110 6.881 9.578 -6.279 906 1HD2 LEU 110 1HD2 LEU 110 3.856 7.642 -7.399 907 2HD2 LEU 110 2HD2 LEU 110 3.087 9.219 -7.586 908 3HD2 LEU 110 3HD2 LEU 110 3.851 8.785 -6.057 909 H LYS 111 H LYS 111 5.450 13.720 -8.040 910 HA LYS 111 HA LYS 111 6.171 14.105 -10.927 911 1HB LYS 111 2HB LYS 111 3.560 14.703 -9.487 912 2HB LYS 111 1HB LYS 111 3.895 15.107 -11.170 913 1HG LYS 111 2HG LYS 111 3.913 12.862 -11.844 914 2HG LYS 111 1HG LYS 111 4.238 12.274 -10.213 915 1HD LYS 111 2HD LYS 111 1.691 13.769 -10.679 916 2HD LYS 111 1HD LYS 111 1.799 12.112 -11.272 917 1HE LYS 111 2HE LYS 111 2.245 11.251 -9.075 918 2HE LYS 111 1HE LYS 111 2.512 12.880 -8.422 919 1HZ LYS 111 1HZ LYS 111 0.282 13.429 -8.640 920 2HZ LYS 111 2HZ LYS 111 0.200 11.811 -8.126 921 3HZ LYS 111 3HZ LYS 111 -0.034 12.195 -9.766 Start of MODEL 3 1 1H MET 1 1H MET 1 10.706 -0.354 -10.960 2 2H MET 1 2H MET 1 10.264 -1.484 -12.148 3 3H MET 1 3H MET 1 10.818 0.057 -12.601 4 HA MET 1 HA MET 1 12.548 -1.761 -11.028 5 1HB MET 1 2HB MET 1 13.404 -2.551 -13.251 6 2HB MET 1 1HB MET 1 11.736 -3.034 -12.948 7 1HG MET 1 2HG MET 1 10.871 -1.455 -14.464 8 2HG MET 1 1HG MET 1 12.338 -0.476 -14.426 9 1HE MET 1 1HE MET 1 14.705 -1.585 -15.067 10 2HE MET 1 2HE MET 1 13.975 -0.463 -16.213 11 3HE MET 1 3HE MET 1 14.743 -1.935 -16.800 12 H ASN 2 H ASN 2 12.427 1.012 -10.715 13 HA ASN 2 HA ASN 2 14.858 1.954 -12.207 14 1HB ASN 2 2HB ASN 2 12.321 3.386 -11.358 15 2HB ASN 2 1HB ASN 2 13.749 4.230 -11.955 16 1HD2 ASN 2 1HD2 ASN 2 14.220 4.106 -14.237 17 2HD2 ASN 2 2HD2 ASN 2 13.166 3.371 -15.344 18 H GLU 3 H GLU 3 15.477 4.194 -10.803 19 HA GLU 3 HA GLU 3 16.509 3.166 -8.279 20 1HB GLU 3 2HB GLU 3 17.362 4.970 -10.052 21 2HB GLU 3 1HB GLU 3 16.475 6.077 -9.005 22 1HG GLU 3 2HG GLU 3 17.872 5.703 -7.190 23 2HG GLU 3 1HG GLU 3 18.329 4.091 -7.741 24 H VAL 4 H VAL 4 14.212 2.658 -7.469 25 HA VAL 4 HA VAL 4 12.945 5.082 -6.228 26 HB VAL 4 HB VAL 4 11.832 2.396 -7.113 27 1HG1 VAL 4 1HG1 VAL 4 10.808 3.449 -4.994 28 2HG1 VAL 4 2HG1 VAL 4 9.700 3.077 -6.314 29 3HG1 VAL 4 3HG1 VAL 4 10.238 4.737 -6.057 30 1HG2 VAL 4 1HG2 VAL 4 12.273 3.942 -8.962 31 2HG2 VAL 4 2HG2 VAL 4 11.422 5.234 -8.116 32 3HG2 VAL 4 3HG2 VAL 4 10.534 3.825 -8.697 33 H SER 5 H SER 5 13.028 5.146 -4.014 34 HA SER 5 HA SER 5 13.828 2.662 -2.543 35 1HB SER 5 2HB SER 5 14.202 5.618 -2.199 36 2HB SER 5 1HB SER 5 14.228 4.598 -0.764 37 HG SER 5 HG SER 5 16.306 4.839 -1.710 38 H VAL 6 H VAL 6 12.795 2.413 -0.343 39 HA VAL 6 HA VAL 6 9.886 2.770 -0.529 40 HB VAL 6 HB VAL 6 11.772 1.572 1.524 41 1HG1 VAL 6 1HG1 VAL 6 9.673 0.553 2.477 42 2HG1 VAL 6 2HG1 VAL 6 8.740 1.641 1.450 43 3HG1 VAL 6 3HG1 VAL 6 9.785 2.297 2.710 44 1HG2 VAL 6 1HG2 VAL 6 11.621 0.351 -0.604 45 2HG2 VAL 6 2HG2 VAL 6 9.860 0.360 -0.500 46 3HG2 VAL 6 3HG2 VAL 6 10.808 -0.556 0.671 47 H ILE 7 H ILE 7 8.673 4.290 0.585 48 HA ILE 7 HA ILE 7 10.165 6.382 2.092 49 HB ILE 7 HB ILE 7 7.610 6.145 0.559 50 1HG1 ILE 7 2HG1 ILE 7 8.405 8.529 -0.037 51 2HG1 ILE 7 1HG1 ILE 7 9.879 8.121 0.840 52 1HG2 ILE 7 1HG2 ILE 7 7.006 8.456 1.634 53 2HG2 ILE 7 2HG2 ILE 7 7.980 7.888 2.989 54 3HG2 ILE 7 3HG2 ILE 7 6.556 6.978 2.484 55 1HD1 ILE 7 1HD1 ILE 7 8.737 6.568 -1.498 56 2HD1 ILE 7 2HD1 ILE 7 10.212 6.162 -0.621 57 3HD1 ILE 7 3HD1 ILE 7 10.128 7.648 -1.566 58 H LYS 8 H LYS 8 7.422 4.116 2.491 59 HA LYS 8 HA LYS 8 7.838 4.225 5.430 60 1HB LYS 8 2HB LYS 8 6.128 5.988 4.356 61 2HB LYS 8 1HB LYS 8 5.042 4.600 4.435 62 1HG LYS 8 2HG LYS 8 5.003 4.586 6.729 63 2HG LYS 8 1HG LYS 8 6.673 5.133 6.865 64 1HD LYS 8 2HD LYS 8 5.787 7.387 5.928 65 2HD LYS 8 1HD LYS 8 4.194 6.775 6.372 66 1HE LYS 8 2HE LYS 8 6.182 6.416 8.511 67 2HE LYS 8 1HE LYS 8 5.899 8.118 8.093 68 1HZ LYS 8 1HZ LYS 8 4.252 7.363 9.694 69 2HZ LYS 8 2HZ LYS 8 3.796 6.089 8.664 70 3HZ LYS 8 3HZ LYS 8 3.506 7.702 8.208 71 H GLU 9 H GLU 9 7.366 2.260 6.365 72 HA GLU 9 HA GLU 9 5.698 0.306 4.841 73 1HB GLU 9 2HB GLU 9 7.460 -1.406 5.265 74 2HB GLU 9 1HB GLU 9 8.048 -0.084 4.260 75 1HG GLU 9 2HG GLU 9 8.977 0.986 6.349 76 2HG GLU 9 1HG GLU 9 8.547 -0.484 7.223 77 H GLY 10 H GLY 10 4.549 -1.120 6.171 78 1HA GLY 10 2HA GLY 10 5.126 -1.438 8.999 79 2HA GLY 10 1HA GLY 10 3.760 -0.355 8.731 80 H TRP 11 H TRP 11 3.480 -2.837 10.043 81 HA TRP 11 HA TRP 11 2.469 -4.839 8.160 82 1HB TRP 11 2HB TRP 11 2.581 -4.478 11.155 83 2HB TRP 11 1HB TRP 11 1.689 -5.822 10.440 84 HD1 TRP 11 HD TRP 11 5.216 -4.440 10.859 85 HE1 TRP 11 1HE TRP 11 6.911 -6.277 10.231 86 HE3 TRP 11 3HE TRP 11 2.035 -7.978 9.009 87 HZ2 TRP 11 2HZ TRP 11 6.916 -8.900 9.095 88 HZ3 TRP 11 3HZ TRP 11 2.911 -10.136 8.160 89 HH2 TRP 11 HH TRP 11 5.348 -10.597 8.203 90 H LEU 12 H LEU 12 0.512 -4.664 7.212 91 HA LEU 12 HA LEU 12 -1.697 -3.248 8.675 92 1HB LEU 12 2HB LEU 12 -1.074 -3.308 5.699 93 2HB LEU 12 1HB LEU 12 -2.361 -2.381 6.471 94 HG LEU 12 HG LEU 12 0.557 -2.035 7.202 95 1HD1 LEU 12 1HD1 LEU 12 -0.617 -1.356 4.740 96 2HD1 LEU 12 2HD1 LEU 12 0.910 -0.755 5.386 97 3HD1 LEU 12 3HD1 LEU 12 -0.581 0.144 5.666 98 1HD2 LEU 12 1HD2 LEU 12 -1.564 0.060 7.456 99 2HD2 LEU 12 2HD2 LEU 12 -0.155 -0.235 8.472 100 3HD2 LEU 12 3HD2 LEU 12 -1.573 -1.272 8.611 101 H HIS 13 H HIS 13 -3.896 -4.018 7.978 102 HA HIS 13 HA HIS 13 -3.864 -6.964 7.518 103 1HB HIS 13 2HB HIS 13 -5.642 -4.934 8.790 104 2HB HIS 13 1HB HIS 13 -6.420 -6.368 8.116 105 HD1 HIS 13 1HD HIS 13 -6.542 -8.273 9.716 106 HD2 HIS 13 2HD HIS 13 -3.265 -5.824 10.506 107 HE1 HIS 13 1HE HIS 13 -5.387 -9.255 11.745 108 H LYS 14 H LYS 14 -3.984 -7.514 5.391 109 HA LYS 14 HA LYS 14 -5.941 -6.058 3.638 110 1HB LYS 14 2HB LYS 14 -3.640 -5.529 3.054 111 2HB LYS 14 1HB LYS 14 -3.201 -7.236 3.069 112 1HG LYS 14 2HG LYS 14 -5.432 -6.906 1.303 113 2HG LYS 14 1HG LYS 14 -4.213 -5.704 0.883 114 1HD LYS 14 2HD LYS 14 -2.497 -7.559 0.923 115 2HD LYS 14 1HD LYS 14 -3.830 -8.700 1.096 116 1HE LYS 14 2HE LYS 14 -4.551 -7.004 -1.056 117 2HE LYS 14 1HE LYS 14 -2.852 -7.447 -1.317 118 1HZ LYS 14 1HZ LYS 14 -5.080 -9.319 -0.697 119 2HZ LYS 14 2HZ LYS 14 -3.444 -9.764 -0.845 120 3HZ LYS 14 3HZ LYS 14 -4.290 -9.169 -2.192 121 H ARG 15 H ARG 15 -7.291 -7.385 2.380 122 HA ARG 15 HA ARG 15 -7.532 -10.196 3.175 123 1HB ARG 15 2HB ARG 15 -9.508 -10.096 1.670 124 2HB ARG 15 1HB ARG 15 -9.485 -8.750 2.802 125 1HG ARG 15 2HG ARG 15 -9.269 -7.215 1.147 126 2HG ARG 15 1HG ARG 15 -8.061 -8.175 0.293 127 1HD ARG 15 2HD ARG 15 -11.036 -8.799 0.265 128 2HD ARG 15 1HD ARG 15 -10.198 -7.906 -1.014 129 HE ARG 15 HE ARG 15 -9.662 -10.749 -0.270 130 1HH1 ARG 15 1HH2 ARG 15 -9.188 -8.022 -2.398 131 2HH1 ARG 15 2HH2 ARG 15 -8.454 -8.976 -3.636 132 1HH2 ARG 15 1HH1 ARG 15 -8.698 -11.962 -1.889 133 2HH2 ARG 15 2HH1 ARG 15 -8.172 -11.197 -3.349 134 H GLY 16 H GLY 16 -7.182 -12.020 1.817 135 1HA GLY 16 2HA GLY 16 -6.814 -12.503 -0.756 136 2HA GLY 16 1HA GLY 16 -5.388 -11.498 -0.505 137 H GLU 17 H GLU 17 -6.817 -14.622 0.065 138 HA GLU 17 HA GLU 17 -4.200 -15.829 0.554 139 1HB GLU 17 2HB GLU 17 -4.814 -14.759 2.743 140 2HB GLU 17 1HB GLU 17 -6.258 -15.768 2.791 141 1HG GLU 17 2HG GLU 17 -5.081 -17.533 3.559 142 2HG GLU 17 1HG GLU 17 -3.900 -17.377 2.260 143 H TYR 18 H TYR 18 -7.597 -16.536 1.466 144 HA TYR 18 HA TYR 18 -7.636 -18.785 -0.484 145 1HB TYR 18 2HB TYR 18 -8.348 -20.349 1.258 146 2HB TYR 18 1HB TYR 18 -6.815 -19.621 1.716 147 HD1 TYR 18 1HD TYR 18 -10.239 -20.181 2.661 148 HD2 TYR 18 2HD TYR 18 -6.862 -17.613 3.326 149 HE1 TYR 18 1HE TYR 18 -11.245 -19.405 4.790 150 HE2 TYR 18 2HE TYR 18 -7.868 -16.837 5.452 151 HH TYR 18 HH TYR 18 -10.458 -18.408 6.944 152 H ILE 19 H ILE 19 -9.486 -16.764 1.817 153 HA ILE 19 HA ILE 19 -11.792 -16.877 -0.067 154 HB ILE 19 HB ILE 19 -11.755 -18.508 2.025 155 1HG1 ILE 19 2HG1 ILE 19 -14.361 -17.283 2.129 156 2HG1 ILE 19 1HG1 ILE 19 -13.777 -17.273 0.465 157 1HG2 ILE 19 1HG2 ILE 19 -12.999 -16.088 3.325 158 2HG2 ILE 19 2HG2 ILE 19 -11.291 -16.468 3.541 159 3HG2 ILE 19 3HG2 ILE 19 -12.522 -17.614 4.067 160 1HD1 ILE 19 1HD1 ILE 19 -15.043 -19.379 1.261 161 2HD1 ILE 19 2HD1 ILE 19 -13.583 -19.749 2.178 162 3HD1 ILE 19 3HD1 ILE 19 -13.513 -19.624 0.421 163 H LYS 20 H LYS 20 -13.533 -15.233 1.412 164 HA LYS 20 HA LYS 20 -12.300 -12.616 1.072 165 1HB LYS 20 2HB LYS 20 -14.746 -13.460 0.709 166 2HB LYS 20 1HB LYS 20 -14.929 -13.183 2.442 167 1HG LYS 20 2HG LYS 20 -14.502 -10.866 2.236 168 2HG LYS 20 1HG LYS 20 -13.794 -11.051 0.632 169 1HD LYS 20 2HD LYS 20 -16.041 -11.783 -0.212 170 2HD LYS 20 1HD LYS 20 -16.711 -11.398 1.374 171 1HE LYS 20 2HE LYS 20 -16.222 -9.069 1.132 172 2HE LYS 20 1HE LYS 20 -15.169 -9.364 -0.266 173 1HZ LYS 20 1HZ LYS 20 -17.066 -10.224 -1.484 174 2HZ LYS 20 2HZ LYS 20 -17.386 -8.641 -0.959 175 3HZ LYS 20 3HZ LYS 20 -18.082 -9.963 -0.150 176 H THR 21 H THR 21 -10.578 -13.403 2.822 177 HA THR 21 HA THR 21 -11.503 -12.455 5.521 178 HB THR 21 HB THR 21 -9.403 -14.532 4.804 179 HG1 THR 21 1HG THR 21 -12.020 -14.778 5.868 180 1HG2 THR 21 1HG2 THR 21 -10.476 -13.499 7.435 181 2HG2 THR 21 2HG2 THR 21 -8.799 -13.533 6.888 182 3HG2 THR 21 3HG2 THR 21 -9.625 -15.038 7.295 183 H TRP 22 H TRP 22 -9.816 -11.331 6.772 184 HA TRP 22 HA TRP 22 -7.767 -9.997 5.030 185 1HB TRP 22 2HB TRP 22 -9.240 -9.072 7.524 186 2HB TRP 22 1HB TRP 22 -8.027 -8.123 6.669 187 HD1 TRP 22 HD TRP 22 -11.437 -9.811 5.982 188 HE1 TRP 22 1HE TRP 22 -12.677 -8.434 4.192 189 HE3 TRP 22 3HE TRP 22 -7.864 -6.318 4.917 190 HZ2 TRP 22 2HZ TRP 22 -12.229 -6.151 2.543 191 HZ3 TRP 22 3HZ TRP 22 -8.298 -4.555 3.230 192 HH2 TRP 22 HH TRP 22 -10.472 -4.467 2.040 193 H ARG 23 H ARG 23 -5.625 -10.135 5.698 194 HA ARG 23 HA ARG 23 -5.066 -11.192 8.447 195 1HB ARG 23 2HB ARG 23 -4.228 -12.193 5.737 196 2HB ARG 23 1HB ARG 23 -3.168 -12.458 7.122 197 1HG ARG 23 2HG ARG 23 -6.052 -13.105 7.501 198 2HG ARG 23 1HG ARG 23 -5.127 -14.184 6.456 199 1HD ARG 23 2HD ARG 23 -3.952 -15.053 8.209 200 2HD ARG 23 1HD ARG 23 -3.739 -13.462 8.962 201 HE ARG 23 HE ARG 23 -6.483 -14.546 9.034 202 1HH1 ARG 23 1HH2 ARG 23 -3.434 -14.122 10.664 203 2HH1 ARG 23 2HH2 ARG 23 -4.119 -14.314 12.239 204 1HH2 ARG 23 1HH1 ARG 23 -7.356 -14.803 11.094 205 2HH2 ARG 23 2HH1 ARG 23 -6.328 -14.704 12.484 206 HA PRO 24 HA PRO 24 -2.064 -7.988 8.635 207 1HB PRO 24 2HB PRO 24 -0.148 -9.137 10.221 208 2HB PRO 24 1HB PRO 24 -1.713 -8.572 10.840 209 1HG PRO 24 2HG PRO 24 -0.839 -11.335 10.146 210 2HG PRO 24 1HG PRO 24 -1.821 -10.770 11.508 211 1HD PRO 24 2HD PRO 24 -2.888 -11.942 9.308 212 2HD PRO 24 1HD PRO 24 -3.752 -10.724 10.272 213 H ARG 25 H ARG 25 -0.591 -7.354 7.132 214 HA ARG 25 HA ARG 25 1.486 -9.278 6.165 215 1HB ARG 25 2HB ARG 25 -0.744 -7.934 4.712 216 2HB ARG 25 1HB ARG 25 0.812 -7.974 3.885 217 1HG ARG 25 2HG ARG 25 0.104 -10.032 3.198 218 2HG ARG 25 1HG ARG 25 0.677 -10.536 4.789 219 1HD ARG 25 2HD ARG 25 -1.598 -10.221 5.717 220 2HD ARG 25 1HD ARG 25 -2.175 -9.719 4.119 221 HE ARG 25 HE ARG 25 -1.988 -11.965 3.370 222 1HH1 ARG 25 1HH2 ARG 25 -0.470 -11.535 6.485 223 2HH1 ARG 25 2HH2 ARG 25 -0.291 -13.236 6.754 224 1HH2 ARG 25 1HH1 ARG 25 -1.731 -14.166 3.748 225 2HH2 ARG 25 2HH1 ARG 25 -1.001 -14.713 5.218 226 H TYR 26 H TYR 26 3.466 -8.230 5.628 227 HA TYR 26 HA TYR 26 3.894 -5.572 6.747 228 1HB TYR 26 2HB TYR 26 5.436 -7.710 6.464 229 2HB TYR 26 1HB TYR 26 5.800 -6.994 4.898 230 HD1 TYR 26 1HD TYR 26 5.211 -4.092 6.409 231 HD2 TYR 26 2HD TYR 26 7.932 -7.389 6.872 232 HE1 TYR 26 1HE TYR 26 6.857 -2.586 7.488 233 HE2 TYR 26 2HE TYR 26 9.572 -5.879 7.952 234 HH TYR 26 HH TYR 26 9.709 -2.826 7.696 235 H PHE 27 H PHE 27 2.873 -3.926 5.591 236 HA PHE 27 HA PHE 27 2.988 -3.922 2.623 237 1HB PHE 27 2HB PHE 27 1.392 -2.695 4.796 238 2HB PHE 27 1HB PHE 27 1.639 -1.673 3.379 239 HD1 PHE 27 1HD PHE 27 0.433 -5.016 4.491 240 HD2 PHE 27 2HD PHE 27 0.517 -2.114 1.325 241 HE1 PHE 27 1HE PHE 27 -1.266 -6.322 3.249 242 HE2 PHE 27 2HE PHE 27 -1.184 -3.420 0.083 243 HZ PHE 27 HZ PHE 27 -2.075 -5.524 1.045 244 H LEU 28 H LEU 28 4.366 -2.616 1.499 245 HA LEU 28 HA LEU 28 5.866 -0.488 3.002 246 1HB LEU 28 2HB LEU 28 6.816 -2.441 0.877 247 2HB LEU 28 1HB LEU 28 7.804 -1.158 1.573 248 HG LEU 28 HG LEU 28 6.803 -2.464 3.810 249 1HD1 LEU 28 1HD1 LEU 28 5.963 -4.289 2.366 250 2HD1 LEU 28 2HD1 LEU 28 7.268 -4.851 3.410 251 3HD1 LEU 28 3HD1 LEU 28 7.585 -4.510 1.709 252 1HD2 LEU 28 1HD2 LEU 28 9.414 -3.014 2.362 253 2HD2 LEU 28 2HD2 LEU 28 9.108 -3.232 4.085 254 3HD2 LEU 28 3HD2 LEU 28 9.116 -1.612 3.389 255 H LEU 29 H LEU 29 5.537 1.504 2.098 256 HA LEU 29 HA LEU 29 4.476 1.686 -0.688 257 1HB LEU 29 2HB LEU 29 3.275 2.791 1.180 258 2HB LEU 29 1HB LEU 29 4.729 3.716 1.562 259 HG LEU 29 HG LEU 29 4.618 4.509 -0.909 260 1HD1 LEU 29 1HD1 LEU 29 2.843 2.788 -1.482 261 2HD1 LEU 29 2HD1 LEU 29 2.458 4.441 -1.963 262 3HD1 LEU 29 3HD1 LEU 29 1.714 3.746 -0.523 263 1HD2 LEU 29 1HD2 LEU 29 3.446 6.422 -0.233 264 2HD2 LEU 29 2HD2 LEU 29 3.968 5.743 1.308 265 3HD2 LEU 29 3HD2 LEU 29 2.312 5.498 0.752 266 H LYS 30 H LYS 30 5.867 2.282 -2.309 267 HA LYS 30 HA LYS 30 8.565 3.314 -1.562 268 1HB LYS 30 2HB LYS 30 7.479 2.240 -4.183 269 2HB LYS 30 1HB LYS 30 9.176 2.512 -3.787 270 1HG LYS 30 2HG LYS 30 8.402 0.927 -1.697 271 2HG LYS 30 1HG LYS 30 7.390 0.293 -2.994 272 1HD LYS 30 2HD LYS 30 10.223 0.801 -3.711 273 2HD LYS 30 1HD LYS 30 9.947 -0.515 -2.570 274 1HE LYS 30 2HE LYS 30 8.470 -1.650 -4.107 275 2HE LYS 30 1HE LYS 30 8.452 -0.254 -5.202 276 1HZ LYS 30 1HZ LYS 30 10.664 -0.560 -5.774 277 2HZ LYS 30 2HZ LYS 30 10.098 -2.160 -5.679 278 3HZ LYS 30 3HZ LYS 30 11.007 -1.501 -4.404 279 H SER 31 H SER 31 9.491 4.796 -3.426 280 HA SER 31 HA SER 31 7.892 7.242 -3.467 281 1HB SER 31 2HB SER 31 10.572 6.527 -3.559 282 2HB SER 31 1HB SER 31 10.262 7.107 -5.192 283 HG SER 31 HG SER 31 9.449 9.023 -4.290 284 H ASP 32 H ASP 32 7.970 4.514 -5.519 285 HA ASP 32 HA ASP 32 7.354 6.027 -7.998 286 1HB ASP 32 2HB ASP 32 8.861 3.979 -7.801 287 2HB ASP 32 1HB ASP 32 7.407 3.042 -7.463 288 H GLY 33 H GLY 33 5.564 5.388 -5.346 289 1HA GLY 33 2HA GLY 33 3.229 5.355 -5.035 290 2HA GLY 33 1HA GLY 33 3.037 5.397 -6.793 291 H SER 34 H SER 34 4.939 3.055 -4.936 292 HA SER 34 HA SER 34 3.093 0.912 -5.933 293 1HB SER 34 2HB SER 34 5.226 0.911 -7.082 294 2HB SER 34 1HB SER 34 6.100 1.029 -5.558 295 HG SER 34 HG SER 34 4.371 -1.112 -6.266 296 H PHE 35 H PHE 35 2.298 -0.477 -4.414 297 HA PHE 35 HA PHE 35 3.316 -0.235 -1.599 298 1HB PHE 35 2HB PHE 35 0.751 -0.051 -2.818 299 2HB PHE 35 1HB PHE 35 0.757 -1.544 -1.883 300 HD1 PHE 35 1HD PHE 35 2.388 -1.030 0.421 301 HD2 PHE 35 2HD PHE 35 -0.297 1.636 -1.613 302 HE1 PHE 35 1HE PHE 35 2.106 0.280 2.506 303 HE2 PHE 35 2HE PHE 35 -0.578 2.945 0.472 304 HZ PHE 35 HZ PHE 35 0.622 2.268 2.534 305 H ILE 36 H ILE 36 4.483 -2.018 -0.954 306 HA ILE 36 HA ILE 36 4.012 -4.625 -2.367 307 HB ILE 36 HB ILE 36 6.341 -3.723 -0.636 308 1HG1 ILE 36 2HG1 ILE 36 6.165 -2.207 -2.548 309 2HG1 ILE 36 1HG1 ILE 36 7.514 -3.310 -2.808 310 1HG2 ILE 36 1HG2 ILE 36 7.526 -5.535 -1.884 311 2HG2 ILE 36 2HG2 ILE 36 5.993 -5.970 -2.640 312 3HG2 ILE 36 3HG2 ILE 36 6.195 -6.137 -0.896 313 1HD1 ILE 36 1HD1 ILE 36 6.091 -3.031 -4.843 314 2HD1 ILE 36 2HD1 ILE 36 4.731 -3.709 -3.949 315 3HD1 ILE 36 3HD1 ILE 36 6.151 -4.701 -4.279 316 H GLY 37 H GLY 37 2.948 -6.181 -1.205 317 1HA GLY 37 2HA GLY 37 2.853 -5.897 1.774 318 2HA GLY 37 1HA GLY 37 1.575 -6.634 0.811 319 H TYR 38 H TYR 38 4.303 -7.280 2.686 320 HA TYR 38 HA TYR 38 4.882 -9.895 1.383 321 1HB TYR 38 2HB TYR 38 6.242 -7.954 3.089 322 2HB TYR 38 1HB TYR 38 6.401 -9.590 3.725 323 HD1 TYR 38 1HD TYR 38 7.567 -11.329 2.475 324 HD2 TYR 38 2HD TYR 38 7.115 -7.371 0.867 325 HE1 TYR 38 1HE TYR 38 9.261 -11.842 0.736 326 HE2 TYR 38 2HE TYR 38 8.810 -7.884 -0.871 327 HH TYR 38 HH TYR 38 9.615 -10.474 -1.939 328 H LYS 39 H LYS 39 4.021 -11.781 2.190 329 HA LYS 39 HA LYS 39 1.970 -11.841 4.164 330 1HB LYS 39 2HB LYS 39 2.098 -14.228 3.875 331 2HB LYS 39 1HB LYS 39 2.490 -13.504 2.318 332 1HG LYS 39 2HG LYS 39 4.789 -13.996 2.529 333 2HG LYS 39 1HG LYS 39 4.677 -14.209 4.274 334 1HD LYS 39 2HD LYS 39 2.945 -16.130 3.474 335 2HD LYS 39 1HD LYS 39 4.046 -16.122 2.096 336 1HE LYS 39 2HE LYS 39 5.046 -17.678 3.582 337 2HE LYS 39 1HE LYS 39 5.937 -16.182 3.916 338 1HZ LYS 39 1HZ LYS 39 3.576 -17.212 5.406 339 2HZ LYS 39 2HZ LYS 39 4.279 -15.687 5.662 340 3HZ LYS 39 3HZ LYS 39 5.166 -17.098 5.988 341 H GLU 40 H GLU 40 5.469 -12.320 4.479 342 HA GLU 40 HA GLU 40 5.145 -12.364 7.458 343 1HB GLU 40 2HB GLU 40 5.953 -14.455 5.713 344 2HB GLU 40 1HB GLU 40 7.411 -13.907 6.536 345 1HG GLU 40 2HG GLU 40 6.049 -14.035 8.707 346 2HG GLU 40 1HG GLU 40 4.852 -14.935 7.773 347 H ARG 41 H ARG 41 7.979 -12.545 7.907 348 HA ARG 41 HA ARG 41 8.931 -9.939 6.762 349 1HB ARG 41 2HB ARG 41 8.194 -10.478 9.345 350 2HB ARG 41 1HB ARG 41 9.920 -10.835 9.411 351 1HG ARG 41 2HG ARG 41 10.339 -8.606 8.302 352 2HG ARG 41 1HG ARG 41 8.623 -8.253 8.502 353 1HD ARG 41 2HD ARG 41 9.816 -7.274 10.388 354 2HD ARG 41 1HD ARG 41 8.919 -8.682 10.988 355 HE ARG 41 HE ARG 41 10.975 -9.797 11.325 356 1HH1 ARG 41 1HH2 ARG 41 11.406 -7.021 9.262 357 2HH1 ARG 41 2HH2 ARG 41 13.130 -7.156 9.249 358 1HH2 ARG 41 1HH1 ARG 41 13.222 -9.950 11.300 359 2HH2 ARG 41 2HH1 ARG 41 14.155 -8.811 10.388 360 HA PRO 42 HA PRO 42 12.022 -13.382 6.030 361 1HB PRO 42 2HB PRO 42 12.012 -13.351 3.302 362 2HB PRO 42 1HB PRO 42 10.890 -14.341 4.255 363 1HG PRO 42 2HG PRO 42 10.416 -11.786 2.833 364 2HG PRO 42 1HG PRO 42 9.327 -13.155 3.093 365 1HD PRO 42 2HD PRO 42 9.272 -10.777 4.514 366 2HD PRO 42 1HD PRO 42 8.555 -12.311 5.051 367 H GLU 43 H GLU 43 14.223 -13.014 5.348 368 HA GLU 43 HA GLU 43 14.836 -10.219 4.433 369 1HB GLU 43 2HB GLU 43 15.404 -11.547 6.899 370 2HB GLU 43 1HB GLU 43 16.935 -11.319 6.053 371 1HG GLU 43 2HG GLU 43 16.907 -9.186 6.786 372 2HG GLU 43 1HG GLU 43 15.567 -8.905 5.675 373 H ALA 44 H ALA 44 15.867 -13.629 4.495 374 HA ALA 44 HA ALA 44 17.122 -14.876 2.943 375 1HB ALA 44 1HB ALA 44 15.752 -13.286 1.403 376 2HB ALA 44 2HB ALA 44 17.175 -14.073 0.723 377 3HB ALA 44 3HB ALA 44 17.262 -12.390 1.237 378 HA PRO 45 HA PRO 45 21.274 -13.788 3.899 379 1HB PRO 45 2HB PRO 45 22.633 -15.311 2.078 380 2HB PRO 45 1HB PRO 45 21.816 -16.000 3.495 381 1HG PRO 45 2HG PRO 45 20.949 -15.938 0.656 382 2HG PRO 45 1HG PRO 45 20.722 -17.194 1.881 383 1HD PRO 45 2HD PRO 45 18.777 -15.417 1.101 384 2HD PRO 45 1HD PRO 45 18.804 -16.253 2.667 385 H ASP 46 H ASP 46 20.483 -13.760 0.406 386 HA ASP 46 HA ASP 46 22.308 -11.399 0.079 387 1HB ASP 46 2HB ASP 46 23.146 -13.275 -1.152 388 2HB ASP 46 1HB ASP 46 21.535 -13.715 -1.720 389 H GLN 47 H GLN 47 19.682 -12.777 -1.932 390 HA GLN 47 HA GLN 47 17.859 -10.550 -1.393 391 1HB GLN 47 2HB GLN 47 19.864 -9.863 -2.996 392 2HB GLN 47 1HB GLN 47 18.886 -10.686 -4.211 393 1HG GLN 47 2HG GLN 47 17.850 -8.667 -4.402 394 2HG GLN 47 1HG GLN 47 16.983 -9.183 -2.955 395 1HE2 GLN 47 1HE2 GLN 47 17.273 -7.922 -1.080 396 2HE2 GLN 47 2HE2 GLN 47 18.436 -6.697 -0.925 397 H THR 48 H THR 48 17.551 -13.380 -1.275 398 HA THR 48 HA THR 48 15.940 -14.060 -3.696 399 HB THR 48 HB THR 48 17.745 -15.584 -2.950 400 HG1 THR 48 1HG THR 48 15.923 -16.495 -3.921 401 1HG2 THR 48 1HG2 THR 48 16.260 -15.359 -0.370 402 2HG2 THR 48 2HG2 THR 48 17.996 -15.443 -0.663 403 3HG2 THR 48 3HG2 THR 48 17.015 -16.905 -0.756 404 H LEU 49 H LEU 49 14.649 -12.208 -2.302 405 HA LEU 49 HA LEU 49 12.830 -13.482 -0.326 406 1HB LEU 49 2HB LEU 49 13.294 -10.663 -1.331 407 2HB LEU 49 1HB LEU 49 12.005 -11.065 -0.197 408 HG LEU 49 HG LEU 49 14.941 -11.668 0.266 409 1HD1 LEU 49 1HD1 LEU 49 13.198 -9.515 1.502 410 2HD1 LEU 49 2HD1 LEU 49 14.406 -9.224 0.251 411 3HD1 LEU 49 3HD1 LEU 49 14.904 -9.807 1.838 412 1HD2 LEU 49 1HD2 LEU 49 14.023 -11.933 2.651 413 2HD2 LEU 49 2HD2 LEU 49 13.614 -13.210 1.507 414 3HD2 LEU 49 3HD2 LEU 49 12.423 -11.974 1.914 415 HA PRO 50 HA PRO 50 10.018 -14.115 -3.766 416 1HB PRO 50 2HB PRO 50 8.205 -15.607 -2.369 417 2HB PRO 50 1HB PRO 50 9.729 -16.269 -2.988 418 1HG PRO 50 2HG PRO 50 9.004 -15.452 -0.232 419 2HG PRO 50 1HG PRO 50 10.052 -16.765 -0.784 420 1HD PRO 50 2HD PRO 50 10.939 -14.345 0.204 421 2HD PRO 50 1HD PRO 50 11.892 -15.435 -0.826 422 HA PRO 51 HA PRO 51 7.380 -10.705 -2.487 423 1HB PRO 51 2HB PRO 51 6.305 -10.231 -4.958 424 2HB PRO 51 1HB PRO 51 7.924 -9.677 -4.486 425 1HG PRO 51 2HG PRO 51 7.133 -12.016 -6.142 426 2HG PRO 51 1HG PRO 51 8.510 -10.919 -6.322 427 1HD PRO 51 2HD PRO 51 8.691 -13.428 -5.249 428 2HD PRO 51 1HD PRO 51 9.807 -12.100 -4.861 429 H LEU 52 H LEU 52 5.313 -10.838 -1.673 430 HA LEU 52 HA LEU 52 3.601 -13.129 -2.527 431 1HB LEU 52 2HB LEU 52 4.202 -11.643 -0.063 432 2HB LEU 52 1HB LEU 52 2.477 -11.925 -0.290 433 HG LEU 52 HG LEU 52 3.670 -13.760 0.965 434 1HD1 LEU 52 1HD1 LEU 52 2.467 -15.514 -0.114 435 2HD1 LEU 52 2HD1 LEU 52 2.579 -14.721 -1.685 436 3HD1 LEU 52 3HD1 LEU 52 1.546 -14.043 -0.427 437 1HD2 LEU 52 1HD2 LEU 52 4.851 -14.459 -1.733 438 2HD2 LEU 52 2HD2 LEU 52 5.197 -15.206 -0.175 439 3HD2 LEU 52 3HD2 LEU 52 5.754 -13.567 -0.509 440 H ASN 53 H ASN 53 3.169 -9.668 -1.605 441 HA ASN 53 HA ASN 53 0.960 -9.529 -3.639 442 1HB ASN 53 2HB ASN 53 1.195 -8.379 -0.842 443 2HB ASN 53 1HB ASN 53 -0.040 -7.859 -1.986 444 1HD2 ASN 53 1HD2 ASN 53 -1.446 -9.724 -2.905 445 2HD2 ASN 53 2HD2 ASN 53 -1.807 -11.009 -1.856 446 H ASN 54 H ASN 54 1.367 -7.993 -5.184 447 HA ASN 54 HA ASN 54 3.257 -5.754 -4.507 448 1HB ASN 54 2HB ASN 54 4.120 -7.576 -6.026 449 2HB ASN 54 1HB ASN 54 2.846 -7.157 -7.171 450 1HD2 ASN 54 1HD2 ASN 54 6.024 -6.302 -6.083 451 2HD2 ASN 54 2HD2 ASN 54 6.196 -4.897 -7.018 452 H PHE 55 H PHE 55 2.566 -3.692 -5.096 453 HA PHE 55 HA PHE 55 0.076 -3.455 -6.746 454 1HB PHE 55 2HB PHE 55 -0.315 -3.395 -4.244 455 2HB PHE 55 1HB PHE 55 0.685 -1.945 -4.184 456 HD1 PHE 55 1HD PHE 55 -0.613 -0.029 -3.943 457 HD2 PHE 55 2HD PHE 55 -1.992 -3.176 -6.516 458 HE1 PHE 55 1HE PHE 55 -2.571 1.348 -4.578 459 HE2 PHE 55 2HE PHE 55 -3.950 -1.798 -7.155 460 HZ PHE 55 HZ PHE 55 -4.242 0.466 -6.186 461 H SER 56 H SER 56 0.250 -1.843 -8.290 462 HA SER 56 HA SER 56 2.418 0.205 -7.946 463 1HB SER 56 2HB SER 56 2.427 -1.945 -9.687 464 2HB SER 56 1HB SER 56 1.817 -0.637 -10.697 465 HG SER 56 HG SER 56 4.303 -0.994 -9.521 466 H VAL 57 H VAL 57 1.596 2.234 -8.062 467 HA VAL 57 HA VAL 57 -0.276 3.118 -10.068 468 HB VAL 57 HB VAL 57 -1.788 1.784 -8.611 469 1HG1 VAL 57 1HG1 VAL 57 -0.341 2.286 -6.521 470 2HG1 VAL 57 2HG1 VAL 57 -2.090 2.226 -6.314 471 3HG1 VAL 57 3HG1 VAL 57 -1.271 3.782 -6.412 472 1HG2 VAL 57 1HG2 VAL 57 -2.289 4.743 -8.209 473 2HG2 VAL 57 2HG2 VAL 57 -3.490 3.460 -8.343 474 3HG2 VAL 57 3HG2 VAL 57 -2.534 3.921 -9.750 475 H ALA 58 H ALA 58 0.655 5.096 -10.385 476 HA ALA 58 HA ALA 58 2.230 6.530 -8.465 477 1HB ALA 58 1HB ALA 58 0.801 7.593 -10.920 478 2HB ALA 58 2HB ALA 58 2.284 6.639 -10.989 479 3HB ALA 58 3HB ALA 58 2.286 8.216 -10.200 480 H GLU 59 H GLU 59 0.433 6.322 -6.707 481 HA GLU 59 HA GLU 59 -1.421 7.209 -5.492 482 1HB GLU 59 2HB GLU 59 0.322 9.595 -6.186 483 2HB GLU 59 1HB GLU 59 -0.748 9.476 -4.789 484 1HG GLU 59 2HG GLU 59 0.533 7.526 -3.970 485 2HG GLU 59 1HG GLU 59 1.607 7.647 -5.361 486 H CYS 60 H CYS 60 -2.679 6.793 -7.755 487 HA CYS 60 HA CYS 60 -3.524 9.112 -9.260 488 1HB CYS 60 2HB CYS 60 -3.568 6.569 -9.797 489 2HB CYS 60 1HB CYS 60 -5.079 6.550 -8.890 490 H GLN 61 H GLN 61 -5.182 7.175 -6.723 491 HA GLN 61 HA GLN 61 -6.520 9.613 -5.721 492 1HB GLN 61 2HB GLN 61 -7.732 8.325 -7.749 493 2HB GLN 61 1HB GLN 61 -8.319 7.329 -6.419 494 1HG GLN 61 2HG GLN 61 -8.534 10.353 -6.505 495 2HG GLN 61 1HG GLN 61 -9.835 9.255 -6.962 496 1HE2 GLN 61 1HE2 GLN 61 -9.974 7.361 -5.033 497 2HE2 GLN 61 2HE2 GLN 61 -10.129 8.036 -3.485 498 H LEU 62 H LEU 62 -6.649 9.424 -3.521 499 HA LEU 62 HA LEU 62 -6.477 6.679 -2.312 500 1HB LEU 62 2HB LEU 62 -5.051 9.208 -1.943 501 2HB LEU 62 1HB LEU 62 -5.711 8.611 -0.423 502 HG LEU 62 HG LEU 62 -3.466 7.714 -0.740 503 1HD1 LEU 62 1HD1 LEU 62 -5.440 6.276 0.151 504 2HD1 LEU 62 2HD1 LEU 62 -3.941 5.456 -0.284 505 3HD1 LEU 62 3HD1 LEU 62 -5.314 5.425 -1.389 506 1HD2 LEU 62 1HD2 LEU 62 -2.801 6.480 -2.664 507 2HD2 LEU 62 2HD2 LEU 62 -3.638 7.899 -3.295 508 3HD2 LEU 62 3HD2 LEU 62 -4.462 6.342 -3.242 509 H MET 63 H MET 63 -7.815 6.290 -0.444 510 HA MET 63 HA MET 63 -9.736 8.381 0.402 511 1HB MET 63 2HB MET 63 -10.680 7.378 -1.655 512 2HB MET 63 1HB MET 63 -10.555 5.776 -0.930 513 1HG MET 63 2HG MET 63 -12.540 6.057 0.094 514 2HG MET 63 1HG MET 63 -11.947 7.513 0.891 515 1HE MET 63 1HE MET 63 -15.201 8.927 -0.311 516 2HE MET 63 2HE MET 63 -14.244 8.221 0.989 517 3HE MET 63 3HE MET 63 -15.127 7.170 -0.116 518 H LYS 64 H LYS 64 -10.762 7.847 2.408 519 HA LYS 64 HA LYS 64 -9.666 5.411 3.785 520 1HB LYS 64 2HB LYS 64 -10.317 8.217 4.730 521 2HB LYS 64 1HB LYS 64 -10.019 6.889 5.851 522 1HG LYS 64 2HG LYS 64 -7.789 7.022 5.543 523 2HG LYS 64 1HG LYS 64 -7.970 7.002 3.790 524 1HD LYS 64 2HD LYS 64 -8.741 9.516 5.189 525 2HD LYS 64 1HD LYS 64 -7.019 9.145 5.112 526 1HE LYS 64 2HE LYS 64 -6.955 9.814 2.950 527 2HE LYS 64 1HE LYS 64 -8.209 8.631 2.530 528 1HZ LYS 64 1HZ LYS 64 -8.913 10.964 2.156 529 2HZ LYS 64 2HZ LYS 64 -8.745 11.257 3.821 530 3HZ LYS 64 3HZ LYS 64 -9.902 10.143 3.265 531 H THR 65 H THR 65 -11.196 4.065 4.774 532 HA THR 65 HA THR 65 -14.015 5.039 4.963 533 HB THR 65 HB THR 65 -13.739 3.991 2.773 534 HG1 THR 65 1HG THR 65 -15.675 3.423 3.448 535 1HG2 THR 65 1HG2 THR 65 -12.945 1.710 2.516 536 2HG2 THR 65 2HG2 THR 65 -12.801 1.523 4.262 537 3HG2 THR 65 3HG2 THR 65 -11.731 2.629 3.403 538 H GLU 66 H GLU 66 -15.382 3.166 5.996 539 HA GLU 66 HA GLU 66 -13.814 1.961 8.255 540 1HB GLU 66 2HB GLU 66 -15.914 2.345 9.567 541 2HB GLU 66 1HB GLU 66 -15.219 3.840 8.946 542 1HG GLU 66 2HG GLU 66 -17.047 2.682 7.008 543 2HG GLU 66 1HG GLU 66 -17.850 2.918 8.560 544 H ARG 67 H ARG 67 -14.758 0.839 5.526 545 HA ARG 67 HA ARG 67 -16.017 -1.614 6.659 546 1HB ARG 67 2HB ARG 67 -17.751 -1.580 5.041 547 2HB ARG 67 1HB ARG 67 -17.636 0.095 5.575 548 1HG ARG 67 2HG ARG 67 -15.869 0.212 3.566 549 2HG ARG 67 1HG ARG 67 -16.852 -1.124 2.965 550 1HD ARG 67 2HD ARG 67 -18.355 1.226 4.010 551 2HD ARG 67 1HD ARG 67 -17.491 1.461 2.480 552 HE ARG 67 HE ARG 67 -19.688 -0.467 2.953 553 1HH1 ARG 67 1HH2 ARG 67 -17.136 0.691 0.877 554 2HH1 ARG 67 2HH2 ARG 67 -17.803 -0.041 -0.541 555 1HH2 ARG 67 1HH1 ARG 67 -20.535 -1.415 1.095 556 2HH2 ARG 67 2HH1 ARG 67 -19.716 -1.229 -0.418 557 HA PRO 68 HA PRO 68 -16.704 -3.497 5.781 558 1HB PRO 68 2HB PRO 68 -15.526 -5.902 6.368 559 2HB PRO 68 1HB PRO 68 -16.285 -5.545 4.804 560 1HG PRO 68 2HG PRO 68 -13.408 -5.530 5.557 561 2HG PRO 68 1HG PRO 68 -14.183 -6.090 4.067 562 1HD PRO 68 2HD PRO 68 -12.903 -3.698 4.277 563 2HD PRO 68 1HD PRO 68 -14.250 -3.991 3.156 564 H ARG 69 H ARG 69 -13.471 -2.832 6.850 565 HA ARG 69 HA ARG 69 -14.317 -3.164 9.714 566 1HB ARG 69 2HB ARG 69 -11.879 -3.857 8.167 567 2HB ARG 69 1HB ARG 69 -11.594 -3.178 9.768 568 1HG ARG 69 2HG ARG 69 -11.926 -5.282 10.534 569 2HG ARG 69 1HG ARG 69 -13.639 -4.977 10.237 570 1HD ARG 69 2HD ARG 69 -13.154 -5.768 7.809 571 2HD ARG 69 1HD ARG 69 -11.665 -6.455 8.490 572 HE ARG 69 HE ARG 69 -13.664 -7.247 10.261 573 1HH1 ARG 69 1HH2 ARG 69 -13.047 -7.574 6.855 574 2HH1 ARG 69 2HH2 ARG 69 -13.914 -9.063 6.718 575 1HH2 ARG 69 1HH1 ARG 69 -14.795 -9.188 10.076 576 2HH2 ARG 69 2HH1 ARG 69 -14.905 -9.975 8.537 577 HA PRO 70 HA PRO 70 -13.533 1.127 10.298 578 1HB PRO 70 2HB PRO 70 -12.324 1.189 12.757 579 2HB PRO 70 1HB PRO 70 -14.054 0.861 12.533 580 1HG PRO 70 2HG PRO 70 -11.812 -1.049 12.991 581 2HG PRO 70 1HG PRO 70 -13.448 -1.051 13.666 582 1HD PRO 70 2HD PRO 70 -12.709 -2.663 11.622 583 2HD PRO 70 1HD PRO 70 -14.362 -2.035 11.799 584 H ASN 71 H ASN 71 -11.840 2.747 10.260 585 HA ASN 71 HA ASN 71 -9.736 3.588 9.621 586 1HB ASN 71 2HB ASN 71 -9.274 1.373 11.570 587 2HB ASN 71 1HB ASN 71 -7.863 1.980 10.705 588 1HD2 ASN 71 1HD2 ASN 71 -9.562 2.464 13.523 589 2HD2 ASN 71 2HD2 ASN 71 -9.204 4.102 13.787 590 H THR 72 H THR 72 -10.659 2.614 7.439 591 HA THR 72 HA THR 72 -8.748 0.539 6.412 592 HB THR 72 HB THR 72 -11.590 1.298 5.684 593 HG1 THR 72 1HG THR 72 -11.907 -0.203 7.102 594 1HG2 THR 72 1HG2 THR 72 -11.227 -0.855 4.188 595 2HG2 THR 72 2HG2 THR 72 -9.545 -0.328 4.221 596 3HG2 THR 72 3HG2 THR 72 -10.790 0.740 3.577 597 H PHE 73 H PHE 73 -7.928 0.850 4.261 598 HA PHE 73 HA PHE 73 -7.981 3.689 3.275 599 1HB PHE 73 2HB PHE 73 -5.861 1.917 4.147 600 2HB PHE 73 1HB PHE 73 -5.613 2.362 2.460 601 HD1 PHE 73 1HD PHE 73 -6.492 5.055 2.158 602 HD2 PHE 73 2HD PHE 73 -4.595 3.245 5.561 603 HE1 PHE 73 1HE PHE 73 -5.656 7.276 2.876 604 HE2 PHE 73 2HE PHE 73 -3.764 5.463 6.273 605 HZ PHE 73 HZ PHE 73 -4.292 7.480 4.936 606 H VAL 74 H VAL 74 -8.476 3.912 1.111 607 HA VAL 74 HA VAL 74 -8.488 1.447 -0.608 608 HB VAL 74 HB VAL 74 -10.490 3.734 -0.599 609 1HG1 VAL 74 1HG1 VAL 74 -11.831 1.984 -1.893 610 2HG1 VAL 74 2HG1 VAL 74 -10.327 1.072 -2.026 611 3HG1 VAL 74 3HG1 VAL 74 -10.449 2.678 -2.741 612 1HG2 VAL 74 1HG2 VAL 74 -10.426 1.102 0.850 613 2HG2 VAL 74 2HG2 VAL 74 -11.974 1.735 0.291 614 3HG2 VAL 74 3HG2 VAL 74 -10.993 2.672 1.418 615 H ILE 75 H ILE 75 -7.731 1.772 -2.731 616 HA ILE 75 HA ILE 75 -7.065 4.577 -3.546 617 HB ILE 75 HB ILE 75 -5.081 3.511 -2.529 618 1HG1 ILE 75 2HG1 ILE 75 -4.596 3.468 -5.501 619 2HG1 ILE 75 1HG1 ILE 75 -5.043 4.976 -4.705 620 1HG2 ILE 75 1HG2 ILE 75 -5.306 1.454 -4.744 621 2HG2 ILE 75 2HG2 ILE 75 -5.810 1.156 -3.081 622 3HG2 ILE 75 3HG2 ILE 75 -4.119 1.494 -3.442 623 1HD1 ILE 75 1HD1 ILE 75 -2.722 5.058 -4.545 624 2HD1 ILE 75 2HD1 ILE 75 -2.574 3.312 -4.353 625 3HD1 ILE 75 3HD1 ILE 75 -3.142 4.301 -3.009 626 H ARG 76 H ARG 76 -7.375 4.957 -5.752 627 HA ARG 76 HA ARG 76 -7.659 2.700 -7.633 628 1HB ARG 76 2HB ARG 76 -9.989 3.416 -8.228 629 2HB ARG 76 1HB ARG 76 -9.855 2.793 -6.586 630 1HG ARG 76 2HG ARG 76 -9.906 4.997 -5.647 631 2HG ARG 76 1HG ARG 76 -9.686 5.747 -7.229 632 1HD ARG 76 2HD ARG 76 -11.892 5.411 -7.850 633 2HD ARG 76 1HD ARG 76 -12.057 3.947 -6.863 634 HE ARG 76 HE ARG 76 -12.395 6.713 -5.920 635 1HH1 ARG 76 1HH2 ARG 76 -11.731 3.397 -5.077 636 2HH1 ARG 76 2HH2 ARG 76 -12.292 3.578 -3.452 637 1HH2 ARG 76 1HH1 ARG 76 -13.117 6.930 -3.795 638 2HH2 ARG 76 2HH1 ARG 76 -13.067 5.570 -2.724 639 H CYS 77 H CYS 77 -8.426 3.699 -9.871 640 HA CYS 77 HA CYS 77 -7.371 6.459 -10.272 641 1HB CYS 77 2HB CYS 77 -5.585 4.601 -10.434 642 2HB CYS 77 1HB CYS 77 -6.419 4.092 -11.901 643 H LEU 78 H LEU 78 -7.804 7.170 -12.594 644 HA LEU 78 HA LEU 78 -10.534 6.556 -13.362 645 1HB LEU 78 2HB LEU 78 -9.231 8.742 -13.590 646 2HB LEU 78 1HB LEU 78 -8.390 7.999 -14.951 647 HG LEU 78 HG LEU 78 -10.690 7.528 -15.951 648 1HD1 LEU 78 1HD1 LEU 78 -11.429 9.278 -13.605 649 2HD1 LEU 78 2HD1 LEU 78 -12.169 7.764 -14.124 650 3HD1 LEU 78 3HD1 LEU 78 -12.425 9.236 -15.060 651 1HD2 LEU 78 1HD2 LEU 78 -9.194 9.385 -16.689 652 2HD2 LEU 78 2HD2 LEU 78 -9.956 10.439 -15.497 653 3HD2 LEU 78 3HD2 LEU 78 -10.902 9.799 -16.840 654 H GLN 79 H GLN 79 -10.785 4.417 -14.065 655 HA GLN 79 HA GLN 79 -9.179 3.600 -16.468 656 1HB GLN 79 2HB GLN 79 -9.388 2.454 -13.846 657 2HB GLN 79 1HB GLN 79 -10.135 1.340 -14.992 658 1HG GLN 79 2HG GLN 79 -8.150 0.829 -15.971 659 2HG GLN 79 1HG GLN 79 -7.607 2.507 -15.951 660 1HE2 GLN 79 1HE2 GLN 79 -6.322 3.217 -14.145 661 2HE2 GLN 79 2HE2 GLN 79 -5.787 2.159 -12.931 662 H TRP 80 H TRP 80 -10.461 1.547 -17.463 663 HA TRP 80 HA TRP 80 -13.079 2.565 -18.281 664 1HB TRP 80 2HB TRP 80 -11.636 1.513 -19.899 665 2HB TRP 80 1HB TRP 80 -11.425 0.093 -18.877 666 HD1 TRP 80 HD TRP 80 -14.664 1.908 -19.990 667 HE1 TRP 80 1HE TRP 80 -16.234 0.158 -21.046 668 HE3 TRP 80 3HE TRP 80 -11.677 -2.229 -19.741 669 HZ2 TRP 80 2HZ TRP 80 -16.226 -2.626 -21.702 670 HZ3 TRP 80 3HZ TRP 80 -12.483 -4.413 -20.588 671 HH2 TRP 80 HH TRP 80 -14.752 -4.616 -21.567 672 H THR 81 H THR 81 -12.036 -0.553 -16.821 673 HA THR 81 HA THR 81 -14.717 -0.704 -15.477 674 HB THR 81 HB THR 81 -14.114 -3.261 -15.660 675 HG1 THR 81 1HG THR 81 -12.616 -3.756 -17.104 676 1HG2 THR 81 1HG2 THR 81 -15.989 -2.616 -16.867 677 2HG2 THR 81 2HG2 THR 81 -14.908 -3.108 -18.170 678 3HG2 THR 81 3HG2 THR 81 -15.105 -1.398 -17.787 679 H THR 82 H THR 82 -14.532 -2.341 -13.537 680 HA THR 82 HA THR 82 -13.642 -2.810 -11.407 681 HB THR 82 HB THR 82 -10.928 -2.331 -12.653 682 HG1 THR 82 1HG THR 82 -11.094 -4.253 -13.684 683 1HG2 THR 82 1HG2 THR 82 -12.026 -4.315 -10.640 684 2HG2 THR 82 2HG2 THR 82 -10.962 -2.951 -10.297 685 3HG2 THR 82 3HG2 THR 82 -10.368 -4.315 -11.245 686 H VAL 83 H VAL 83 -14.590 -0.601 -10.885 687 HA VAL 83 HA VAL 83 -12.944 1.766 -10.802 688 HB VAL 83 HB VAL 83 -14.763 2.608 -9.343 689 1HG1 VAL 83 1HG1 VAL 83 -16.080 0.890 -11.433 690 2HG1 VAL 83 2HG1 VAL 83 -14.983 2.187 -11.909 691 3HG1 VAL 83 3HG1 VAL 83 -16.436 2.557 -10.981 692 1HG2 VAL 83 1HG2 VAL 83 -16.605 1.095 -8.696 693 2HG2 VAL 83 2HG2 VAL 83 -15.081 0.562 -7.989 694 3HG2 VAL 83 3HG2 VAL 83 -15.738 -0.270 -9.398 695 H ILE 84 H ILE 84 -13.294 -0.974 -8.612 696 HA ILE 84 HA ILE 84 -11.822 0.411 -6.435 697 HB ILE 84 HB ILE 84 -13.105 -2.321 -6.775 698 1HG1 ILE 84 2HG1 ILE 84 -14.085 -0.740 -4.582 699 2HG1 ILE 84 1HG1 ILE 84 -14.091 0.251 -6.041 700 1HG2 ILE 84 1HG2 ILE 84 -11.666 -1.144 -4.377 701 2HG2 ILE 84 2HG2 ILE 84 -11.187 -2.575 -5.290 702 3HG2 ILE 84 3HG2 ILE 84 -12.664 -2.597 -4.326 703 1HD1 ILE 84 1HD1 ILE 84 -15.332 -2.502 -5.761 704 2HD1 ILE 84 2HD1 ILE 84 -15.309 -1.544 -7.241 705 3HD1 ILE 84 3HD1 ILE 84 -16.211 -0.975 -5.837 706 H GLU 85 H GLU 85 -9.605 0.438 -6.660 707 HA GLU 85 HA GLU 85 -8.237 -1.631 -8.268 708 1HB GLU 85 2HB GLU 85 -7.905 1.100 -7.649 709 2HB GLU 85 1HB GLU 85 -6.524 0.280 -6.925 710 1HG GLU 85 2HG GLU 85 -5.716 -0.458 -8.965 711 2HG GLU 85 1HG GLU 85 -7.315 -0.485 -9.709 712 H ARG 86 H ARG 86 -7.819 -0.302 -4.931 713 HA ARG 86 HA ARG 86 -7.223 -3.033 -3.947 714 1HB ARG 86 2HB ARG 86 -5.137 -2.077 -4.973 715 2HB ARG 86 1HB ARG 86 -5.207 -0.772 -3.791 716 1HG ARG 86 2HG ARG 86 -5.476 -3.078 -2.247 717 2HG ARG 86 1HG ARG 86 -4.273 -3.518 -3.459 718 1HD ARG 86 2HD ARG 86 -3.101 -2.522 -1.571 719 2HD ARG 86 1HD ARG 86 -3.067 -1.350 -2.904 720 HE ARG 86 HE ARG 86 -5.362 -1.150 -1.048 721 1HH1 ARG 86 1HH2 ARG 86 -2.224 0.002 -2.010 722 2HH1 ARG 86 2HH2 ARG 86 -2.439 1.549 -1.270 723 1HH2 ARG 86 1HH1 ARG 86 -5.627 0.866 -0.093 724 2HH2 ARG 86 2HH1 ARG 86 -4.353 2.039 -0.185 725 H THR 87 H THR 87 -7.720 -3.235 -1.788 726 HA THR 87 HA THR 87 -8.197 -0.745 -0.183 727 HB THR 87 HB THR 87 -10.123 -2.161 0.811 728 HG1 THR 87 1HG THR 87 -10.703 -3.924 -0.256 729 1HG2 THR 87 1HG2 THR 87 -10.583 -0.257 -0.606 730 2HG2 THR 87 2HG2 THR 87 -11.630 -1.584 -1.107 731 3HG2 THR 87 3HG2 THR 87 -10.196 -1.187 -2.053 732 H PHE 88 H PHE 88 -7.299 -0.837 1.875 733 HA PHE 88 HA PHE 88 -6.557 -3.490 2.999 734 1HB PHE 88 2HB PHE 88 -4.308 -3.165 2.784 735 2HB PHE 88 1HB PHE 88 -4.774 -2.041 1.514 736 HD1 PHE 88 1HD PHE 88 -4.232 0.254 1.686 737 HD2 PHE 88 2HD PHE 88 -4.034 -2.246 5.170 738 HE1 PHE 88 1HE PHE 88 -3.163 2.100 2.952 739 HE2 PHE 88 2HE PHE 88 -2.973 -0.402 6.433 740 HZ PHE 88 HZ PHE 88 -2.533 1.769 5.329 741 H HIS 89 H HIS 89 -6.317 -3.461 5.295 742 HA HIS 89 HA HIS 89 -7.451 -1.026 6.633 743 1HB HIS 89 2HB HIS 89 -7.278 -3.936 7.493 744 2HB HIS 89 1HB HIS 89 -8.108 -2.659 8.376 745 HD1 HIS 89 1HD HIS 89 -9.934 -4.822 7.698 746 HD2 HIS 89 2HD HIS 89 -9.067 -1.870 4.891 747 HE1 HIS 89 1HE HIS 89 -11.838 -4.839 6.030 748 H VAL 90 H VAL 90 -6.446 -0.313 8.631 749 HA VAL 90 HA VAL 90 -3.580 -1.155 8.895 750 HB VAL 90 HB VAL 90 -3.311 1.040 10.010 751 1HG1 VAL 90 1HG1 VAL 90 -4.177 2.453 7.980 752 2HG1 VAL 90 2HG1 VAL 90 -4.595 0.880 7.301 753 3HG1 VAL 90 3HG1 VAL 90 -2.922 1.244 7.721 754 1HG2 VAL 90 1HG2 VAL 90 -5.727 1.010 10.900 755 2HG2 VAL 90 2HG2 VAL 90 -6.196 1.611 9.310 756 3HG2 VAL 90 3HG2 VAL 90 -5.111 2.559 10.326 757 H ASP 91 H ASP 91 -2.739 -1.379 11.122 758 HA ASP 91 HA ASP 91 -4.628 -2.790 12.871 759 1HB ASP 91 2HB ASP 91 -1.680 -2.224 12.759 760 2HB ASP 91 1HB ASP 91 -2.379 -2.827 14.261 761 H SER 92 H SER 92 -3.157 0.422 12.764 762 HA SER 92 HA SER 92 -4.495 1.052 15.382 763 1HB SER 92 2HB SER 92 -1.912 2.159 14.234 764 2HB SER 92 1HB SER 92 -2.598 2.561 15.804 765 HG SER 92 HG SER 92 -1.281 0.270 14.935 766 HA PRO 93 HA PRO 93 -6.480 4.368 13.247 767 1HB PRO 93 2HB PRO 93 -6.603 6.273 15.218 768 2HB PRO 93 1HB PRO 93 -7.643 4.833 15.200 769 1HG PRO 93 2HG PRO 93 -5.158 5.353 16.758 770 2HG PRO 93 1HG PRO 93 -6.651 4.540 17.254 771 1HD PRO 93 2HD PRO 93 -4.390 3.197 16.574 772 2HD PRO 93 1HD PRO 93 -6.023 2.533 16.334 773 H ASP 94 H ASP 94 -3.573 5.155 15.141 774 HA ASP 94 HA ASP 94 -2.896 7.622 13.831 775 1HB ASP 94 2HB ASP 94 -1.576 5.541 15.531 776 2HB ASP 94 1HB ASP 94 -0.528 6.677 14.683 777 H GLU 95 H GLU 95 -2.316 4.212 13.049 778 HA GLU 95 HA GLU 95 -0.293 4.502 11.068 779 1HB GLU 95 2HB GLU 95 -2.167 2.523 12.053 780 2HB GLU 95 1HB GLU 95 -2.074 2.437 10.294 781 1HG GLU 95 2HG GLU 95 -0.257 1.121 10.749 782 2HG GLU 95 1HG GLU 95 0.557 2.681 10.869 783 H ARG 96 H ARG 96 -3.875 4.489 10.695 784 HA ARG 96 HA ARG 96 -3.980 4.854 7.883 785 1HB ARG 96 2HB ARG 96 -5.897 4.295 9.290 786 2HB ARG 96 1HB ARG 96 -5.786 5.853 10.106 787 1HG ARG 96 2HG ARG 96 -5.900 6.311 7.273 788 2HG ARG 96 1HG ARG 96 -7.217 5.228 7.722 789 1HD ARG 96 2HD ARG 96 -6.689 7.657 9.422 790 2HD ARG 96 1HD ARG 96 -7.584 7.833 7.899 791 HE ARG 96 HE ARG 96 -8.490 5.606 9.597 792 1HH1 ARG 96 1HH2 ARG 96 -8.834 8.970 8.764 793 2HH1 ARG 96 2HH2 ARG 96 -10.470 9.060 9.318 794 1HH2 ARG 96 1HH1 ARG 96 -10.623 5.745 10.321 795 2HH2 ARG 96 2HH1 ARG 96 -11.482 7.243 10.190 796 H GLU 97 H GLU 97 -3.896 7.340 10.472 797 HA GLU 97 HA GLU 97 -3.898 9.600 8.666 798 1HB GLU 97 2HB GLU 97 -3.303 9.047 11.556 799 2HB GLU 97 1HB GLU 97 -2.822 10.607 10.887 800 1HG GLU 97 2HG GLU 97 -5.386 10.318 9.907 801 2HG GLU 97 1HG GLU 97 -5.509 9.587 11.507 802 H GLU 98 H GLU 98 -1.354 7.563 10.061 803 HA GLU 98 HA GLU 98 0.891 9.216 9.300 804 1HB GLU 98 2HB GLU 98 0.407 6.354 10.101 805 2HB GLU 98 1HB GLU 98 2.004 6.841 9.539 806 1HG GLU 98 2HG GLU 98 0.542 8.354 11.708 807 2HG GLU 98 1HG GLU 98 1.594 6.986 12.068 808 H TRP 99 H TRP 99 -0.756 6.446 7.727 809 HA TRP 99 HA TRP 99 0.989 6.182 5.471 810 1HB TRP 99 2HB TRP 99 -1.988 5.687 5.807 811 2HB TRP 99 1HB TRP 99 -1.043 5.110 4.437 812 HD1 TRP 99 HD TRP 99 -2.441 3.701 7.295 813 HE1 TRP 99 1HE TRP 99 -1.041 1.807 8.328 814 HE3 TRP 99 3HE TRP 99 2.041 4.586 5.015 815 HZ2 TRP 99 2HZ TRP 99 1.635 0.784 8.192 816 HZ3 TRP 99 3HZ TRP 99 3.994 3.136 5.481 817 HH2 TRP 99 HH TRP 99 3.796 1.241 7.064 818 H MET 100 H MET 100 -1.967 8.151 5.922 819 HA MET 100 HA MET 100 -2.125 9.255 3.299 820 1HB MET 100 2HB MET 100 -3.436 9.459 5.769 821 2HB MET 100 1HB MET 100 -2.859 11.095 5.449 822 1HG MET 100 2HG MET 100 -3.817 10.747 3.066 823 2HG MET 100 1HG MET 100 -4.699 9.392 3.772 824 1HE MET 100 1HE MET 100 -3.869 13.113 3.880 825 2HE MET 100 2HE MET 100 -5.472 13.818 4.075 826 3HE MET 100 3HE MET 100 -5.127 12.808 2.673 827 H ARG 101 H ARG 101 -0.369 10.377 6.205 828 HA ARG 101 HA ARG 101 0.669 12.819 5.112 829 1HB ARG 101 2HB ARG 101 0.560 11.938 7.532 830 2HB ARG 101 1HB ARG 101 2.013 11.019 7.143 831 1HG ARG 101 2HG ARG 101 3.312 12.843 7.371 832 2HG ARG 101 1HG ARG 101 2.287 13.776 6.280 833 1HD ARG 101 2HD ARG 101 2.361 14.776 8.568 834 2HD ARG 101 1HD ARG 101 0.723 14.243 8.141 835 HE ARG 101 HE ARG 101 2.227 12.114 9.415 836 1HH1 ARG 101 1HH2 ARG 101 0.451 15.044 10.016 837 2HH1 ARG 101 2HH2 ARG 101 -0.056 14.554 11.595 838 1HH2 ARG 101 1HH1 ARG 101 1.553 11.478 11.467 839 2HH2 ARG 101 2HH1 ARG 101 0.565 12.539 12.415 840 H ALA 102 H ALA 102 1.927 9.479 5.131 841 HA ALA 102 HA ALA 102 4.492 10.045 3.959 842 1HB ALA 102 1HB ALA 102 4.686 7.736 3.981 843 2HB ALA 102 2HB ALA 102 3.037 7.490 3.408 844 3HB ALA 102 3HB ALA 102 3.331 7.913 5.096 845 H ILE 103 H ILE 103 1.344 9.148 2.522 846 HA ILE 103 HA ILE 103 2.187 8.965 -0.207 847 HB ILE 103 HB ILE 103 -0.452 9.752 1.088 848 1HG1 ILE 103 2HG1 ILE 103 0.273 7.097 -0.155 849 2HG1 ILE 103 1HG1 ILE 103 0.676 7.448 1.525 850 1HG2 ILE 103 1HG2 ILE 103 -0.168 10.399 -1.373 851 2HG2 ILE 103 2HG2 ILE 103 -1.523 9.330 -1.008 852 3HG2 ILE 103 3HG2 ILE 103 -0.046 8.672 -1.712 853 1HD1 ILE 103 1HD1 ILE 103 -1.992 7.040 0.261 854 2HD1 ILE 103 2HD1 ILE 103 -1.890 8.231 1.559 855 3HD1 ILE 103 3HD1 ILE 103 -1.419 6.558 1.858 856 H GLN 104 H GLN 104 1.057 11.738 1.746 857 HA GLN 104 HA GLN 104 0.967 13.685 -0.357 858 1HB GLN 104 2HB GLN 104 0.325 13.585 2.281 859 2HB GLN 104 1HB GLN 104 1.832 14.494 2.377 860 1HG GLN 104 2HG GLN 104 -0.369 15.229 0.435 861 2HG GLN 104 1HG GLN 104 -0.308 15.874 2.075 862 1HE2 GLN 104 1HE2 GLN 104 0.753 16.459 -1.093 863 2HE2 GLN 104 2HE2 GLN 104 2.014 17.537 -0.737 864 H MET 105 H MET 105 3.613 12.650 1.813 865 HA MET 105 HA MET 105 5.562 14.568 0.881 866 1HB MET 105 2HB MET 105 5.434 12.973 2.978 867 2HB MET 105 1HB MET 105 6.230 11.818 1.910 868 1HG MET 105 2HG MET 105 8.154 13.132 1.703 869 2HG MET 105 1HG MET 105 7.309 14.613 2.156 870 1HE MET 105 1HE MET 105 7.566 15.672 4.287 871 2HE MET 105 2HE MET 105 7.299 14.844 5.819 872 3HE MET 105 3HE MET 105 6.066 14.776 4.562 873 H VAL 106 H VAL 106 4.723 11.241 -0.091 874 HA VAL 106 HA VAL 106 6.829 10.976 -2.070 875 HB VAL 106 HB VAL 106 4.159 9.586 -1.650 876 1HG1 VAL 106 1HG1 VAL 106 5.530 7.743 -2.965 877 2HG1 VAL 106 2HG1 VAL 106 6.390 9.143 -3.607 878 3HG1 VAL 106 3HG1 VAL 106 4.649 8.992 -3.845 879 1HG2 VAL 106 1HG2 VAL 106 6.624 8.101 -1.123 880 2HG2 VAL 106 2HG2 VAL 106 5.211 8.325 -0.093 881 3HG2 VAL 106 3HG2 VAL 106 6.486 9.542 -0.115 882 H ALA 107 H ALA 107 3.457 12.117 -2.126 883 HA ALA 107 HA ALA 107 3.046 12.295 -4.933 884 1HB ALA 107 1HB ALA 107 1.389 14.053 -4.238 885 2HB ALA 107 2HB ALA 107 2.092 14.016 -2.621 886 3HB ALA 107 3HB ALA 107 1.288 12.585 -3.266 887 H ASN 108 H ASN 108 4.762 14.463 -2.699 888 HA ASN 108 HA ASN 108 5.075 16.720 -4.427 889 1HB ASN 108 2HB ASN 108 6.425 15.536 -2.036 890 2HB ASN 108 1HB ASN 108 7.307 16.781 -2.919 891 1HD2 ASN 108 1HD2 ASN 108 4.894 16.296 -0.541 892 2HD2 ASN 108 2HD2 ASN 108 4.275 17.875 -0.517 893 H SER 109 H SER 109 6.898 13.684 -4.140 894 HA SER 109 HA SER 109 8.840 14.533 -6.219 895 1HB SER 109 2HB SER 109 10.038 12.578 -5.519 896 2HB SER 109 1HB SER 109 9.378 13.288 -4.050 897 HG SER 109 HG SER 109 7.728 11.760 -4.103 898 H LEU 110 H LEU 110 5.957 12.550 -5.885 899 HA LEU 110 HA LEU 110 6.300 10.836 -8.162 900 1HB LEU 110 2HB LEU 110 4.502 11.211 -6.088 901 2HB LEU 110 1HB LEU 110 3.557 11.660 -7.505 902 HG LEU 110 HG LEU 110 4.627 9.433 -8.497 903 1HD1 LEU 110 1HD1 LEU 110 5.827 9.314 -6.103 904 2HD1 LEU 110 2HD1 LEU 110 5.329 7.860 -6.968 905 3HD1 LEU 110 3HD1 LEU 110 4.317 8.508 -5.678 906 1HD2 LEU 110 1HD2 LEU 110 2.342 9.330 -8.473 907 2HD2 LEU 110 2HD2 LEU 110 2.227 9.977 -6.837 908 3HD2 LEU 110 3HD2 LEU 110 2.620 8.276 -7.088 909 H LYS 111 H LYS 111 5.710 14.215 -8.038 910 HA LYS 111 HA LYS 111 3.980 14.775 -10.169 911 1HB LYS 111 2HB LYS 111 5.414 16.855 -10.380 912 2HB LYS 111 1HB LYS 111 4.892 16.487 -8.737 913 1HG LYS 111 2HG LYS 111 7.013 15.852 -8.054 914 2HG LYS 111 1HG LYS 111 7.499 15.347 -9.670 915 1HD LYS 111 2HD LYS 111 8.713 17.342 -9.336 916 2HD LYS 111 1HD LYS 111 7.321 17.862 -10.286 917 1HE LYS 111 2HE LYS 111 6.260 18.171 -7.828 918 2HE LYS 111 1HE LYS 111 7.970 18.420 -7.426 919 1HZ LYS 111 1HZ LYS 111 6.555 19.760 -9.674 920 2HZ LYS 111 2HZ LYS 111 8.155 20.044 -9.174 921 3HZ LYS 111 3HZ LYS 111 6.857 20.481 -8.169 Start of MODEL 4 1 1H MET 1 1H MET 1 20.293 2.783 -12.411 2 2H MET 1 2H MET 1 19.405 3.493 -13.673 3 3H MET 1 3H MET 1 19.854 1.858 -13.764 4 HA MET 1 HA MET 1 17.554 1.902 -13.177 5 1HB MET 1 2HB MET 1 19.687 1.168 -11.221 6 2HB MET 1 1HB MET 1 18.026 1.110 -10.634 7 1HG MET 1 2HG MET 1 18.092 -0.997 -11.528 8 2HG MET 1 1HG MET 1 17.703 -0.133 -13.016 9 1HE MET 1 1HE MET 1 18.654 -0.617 -14.932 10 2HE MET 1 2HE MET 1 18.815 -2.295 -14.417 11 3HE MET 1 3HE MET 1 20.151 -1.504 -15.249 12 H ASN 2 H ASN 2 16.207 2.339 -10.944 13 HA ASN 2 HA ASN 2 16.186 5.281 -10.650 14 1HB ASN 2 2HB ASN 2 14.386 2.964 -10.217 15 2HB ASN 2 1HB ASN 2 14.162 4.306 -9.096 16 1HD2 ASN 2 1HD2 ASN 2 12.808 5.943 -9.852 17 2HD2 ASN 2 2HD2 ASN 2 12.472 6.248 -11.486 18 H GLU 3 H GLU 3 17.107 6.312 -8.922 19 HA GLU 3 HA GLU 3 18.240 4.720 -6.701 20 1HB GLU 3 2HB GLU 3 19.242 6.743 -8.067 21 2HB GLU 3 1HB GLU 3 18.301 7.722 -6.941 22 1HG GLU 3 2HG GLU 3 19.534 5.860 -5.287 23 2HG GLU 3 1HG GLU 3 20.777 6.228 -6.483 24 H VAL 4 H VAL 4 15.968 4.130 -5.954 25 HA VAL 4 HA VAL 4 14.795 6.318 -4.261 26 HB VAL 4 HB VAL 4 13.559 4.117 -5.931 27 1HG1 VAL 4 1HG1 VAL 4 11.580 4.183 -4.777 28 2HG1 VAL 4 2HG1 VAL 4 11.786 5.871 -4.316 29 3HG1 VAL 4 3HG1 VAL 4 12.631 4.606 -3.428 30 1HG2 VAL 4 1HG2 VAL 4 14.100 6.804 -6.407 31 2HG2 VAL 4 2HG2 VAL 4 12.394 6.801 -5.960 32 3HG2 VAL 4 3HG2 VAL 4 12.955 5.808 -7.305 33 H SER 5 H SER 5 14.417 5.803 -2.124 34 HA SER 5 HA SER 5 15.124 3.031 -1.213 35 1HB SER 5 2HB SER 5 15.706 5.787 -0.313 36 2HB SER 5 1HB SER 5 15.250 4.687 0.985 37 HG SER 5 HG SER 5 17.581 4.852 0.157 38 H VAL 6 H VAL 6 13.955 2.708 1.111 39 HA VAL 6 HA VAL 6 11.072 2.856 0.563 40 HB VAL 6 HB VAL 6 12.837 1.702 2.726 41 1HG1 VAL 6 1HG1 VAL 6 9.925 2.275 2.797 42 2HG1 VAL 6 2HG1 VAL 6 11.062 2.054 4.127 43 3HG1 VAL 6 3HG1 VAL 6 10.401 0.651 3.289 44 1HG2 VAL 6 1HG2 VAL 6 11.098 0.655 0.496 45 2HG2 VAL 6 2HG2 VAL 6 11.540 -0.379 1.854 46 3HG2 VAL 6 3HG2 VAL 6 12.796 0.308 0.824 47 H ILE 7 H ILE 7 9.616 4.240 1.528 48 HA ILE 7 HA ILE 7 10.725 6.476 3.149 49 HB ILE 7 HB ILE 7 8.094 5.994 1.711 50 1HG1 ILE 7 2HG1 ILE 7 9.977 6.323 0.190 51 2HG1 ILE 7 1HG1 ILE 7 8.974 7.772 0.188 52 1HG2 ILE 7 1HG2 ILE 7 7.727 8.447 2.121 53 2HG2 ILE 7 2HG2 ILE 7 9.113 8.423 3.211 54 3HG2 ILE 7 3HG2 ILE 7 7.678 7.468 3.587 55 1HD1 ILE 7 1HD1 ILE 7 11.683 7.348 1.428 56 2HD1 ILE 7 2HD1 ILE 7 10.603 8.582 2.077 57 3HD1 ILE 7 3HD1 ILE 7 11.128 8.666 0.396 58 H LYS 8 H LYS 8 7.945 4.191 3.236 59 HA LYS 8 HA LYS 8 8.050 4.340 6.225 60 1HB LYS 8 2HB LYS 8 5.721 4.818 4.357 61 2HB LYS 8 1HB LYS 8 5.473 4.379 6.046 62 1HG LYS 8 2HG LYS 8 7.063 6.773 5.068 63 2HG LYS 8 1HG LYS 8 5.436 6.837 5.741 64 1HD LYS 8 2HD LYS 8 7.866 5.784 7.221 65 2HD LYS 8 1HD LYS 8 7.200 7.403 7.416 66 1HE LYS 8 2HE LYS 8 5.348 6.651 8.581 67 2HE LYS 8 1HE LYS 8 5.317 5.093 7.735 68 1HZ LYS 8 1HZ LYS 8 7.536 4.666 8.864 69 2HZ LYS 8 2HZ LYS 8 6.159 4.609 9.856 70 3HZ LYS 8 3HZ LYS 8 7.166 5.977 9.877 71 H GLU 9 H GLU 9 7.700 2.380 7.218 72 HA GLU 9 HA GLU 9 6.756 0.075 5.539 73 1HB GLU 9 2HB GLU 9 8.979 0.169 7.613 74 2HB GLU 9 1HB GLU 9 8.472 -1.269 6.725 75 1HG GLU 9 2HG GLU 9 9.026 -0.073 4.589 76 2HG GLU 9 1HG GLU 9 9.676 1.252 5.552 77 H GLY 10 H GLY 10 5.140 -1.129 6.538 78 1HA GLY 10 2HA GLY 10 4.910 -1.326 9.427 79 2HA GLY 10 1HA GLY 10 3.695 -0.245 8.751 80 H TRP 11 H TRP 11 2.752 -2.474 9.994 81 HA TRP 11 HA TRP 11 2.231 -4.494 7.857 82 1HB TRP 11 2HB TRP 11 2.348 -4.422 10.820 83 2HB TRP 11 1HB TRP 11 1.103 -5.471 10.139 84 HD1 TRP 11 HD TRP 11 4.900 -4.829 9.828 85 HE1 TRP 11 1HE TRP 11 6.037 -7.037 9.112 86 HE3 TRP 11 3HE TRP 11 0.785 -7.794 9.216 87 HZ2 TRP 11 2HZ TRP 11 5.300 -9.691 8.394 88 HZ3 TRP 11 3HZ TRP 11 1.039 -10.158 8.515 89 HH2 TRP 11 HH TRP 11 3.292 -11.108 8.100 90 H LEU 12 H LEU 12 0.253 -4.594 6.892 91 HA LEU 12 HA LEU 12 -2.015 -3.030 8.093 92 1HB LEU 12 2HB LEU 12 -1.318 -3.475 5.168 93 2HB LEU 12 1HB LEU 12 -2.622 -2.462 5.781 94 HG LEU 12 HG LEU 12 0.324 -2.013 6.355 95 1HD1 LEU 12 1HD1 LEU 12 -0.979 -1.557 3.968 96 2HD1 LEU 12 2HD1 LEU 12 0.443 -0.677 4.525 97 3HD1 LEU 12 3HD1 LEU 12 -1.166 -0.013 4.797 98 1HD2 LEU 12 1HD2 LEU 12 -0.324 -0.389 7.790 99 2HD2 LEU 12 2HD2 LEU 12 -1.907 -1.161 7.767 100 3HD2 LEU 12 3HD2 LEU 12 -1.573 0.196 6.693 101 H HIS 13 H HIS 13 -4.178 -3.904 7.482 102 HA HIS 13 HA HIS 13 -4.083 -6.881 7.106 103 1HB HIS 13 2HB HIS 13 -5.831 -4.941 8.594 104 2HB HIS 13 1HB HIS 13 -6.505 -6.496 8.102 105 HD1 HIS 13 1HD HIS 13 -5.900 -8.498 9.509 106 HD2 HIS 13 2HD HIS 13 -3.410 -5.243 10.270 107 HE1 HIS 13 1HE HIS 13 -4.449 -9.151 11.478 108 H LYS 14 H LYS 14 -4.889 -7.661 5.199 109 HA LYS 14 HA LYS 14 -6.732 -5.906 3.600 110 1HB LYS 14 2HB LYS 14 -4.317 -6.235 2.828 111 2HB LYS 14 1HB LYS 14 -4.735 -7.924 2.548 112 1HG LYS 14 2HG LYS 14 -5.075 -6.865 0.449 113 2HG LYS 14 1HG LYS 14 -6.692 -7.033 1.134 114 1HD LYS 14 2HD LYS 14 -6.649 -4.719 1.909 115 2HD LYS 14 1HD LYS 14 -4.984 -4.538 1.358 116 1HE LYS 14 2HE LYS 14 -6.474 -5.512 -0.867 117 2HE LYS 14 1HE LYS 14 -7.399 -4.172 -0.160 118 1HZ LYS 14 1HZ LYS 14 -4.506 -4.132 -0.856 119 2HZ LYS 14 2HZ LYS 14 -5.340 -2.868 -0.085 120 3HZ LYS 14 3HZ LYS 14 -5.742 -3.307 -1.673 121 H ARG 15 H ARG 15 -8.565 -6.892 2.773 122 HA ARG 15 HA ARG 15 -9.395 -9.471 3.835 123 1HB ARG 15 2HB ARG 15 -10.856 -7.477 3.397 124 2HB ARG 15 1HB ARG 15 -10.599 -7.714 1.669 125 1HG ARG 15 2HG ARG 15 -11.373 -10.236 2.705 126 2HG ARG 15 1HG ARG 15 -12.468 -9.054 3.420 127 1HD ARG 15 2HD ARG 15 -13.528 -9.613 1.376 128 2HD ARG 15 1HD ARG 15 -12.664 -8.119 0.971 129 HE ARG 15 HE ARG 15 -10.747 -9.787 0.307 130 1HH1 ARG 15 1HH2 ARG 15 -14.167 -10.295 -0.134 131 2HH1 ARG 15 2HH2 ARG 15 -13.943 -11.440 -1.409 132 1HH2 ARG 15 1HH1 ARG 15 -10.482 -11.274 -1.349 133 2HH2 ARG 15 2HH1 ARG 15 -11.870 -11.990 -2.096 134 H GLY 16 H GLY 16 -8.705 -11.393 2.945 135 1HA GLY 16 2HA GLY 16 -8.702 -11.698 0.007 136 2HA GLY 16 1HA GLY 16 -7.150 -11.944 0.807 137 H GLU 17 H GLU 17 -10.531 -12.924 1.547 138 HA GLU 17 HA GLU 17 -9.663 -15.770 1.471 139 1HB GLU 17 2HB GLU 17 -9.962 -14.175 3.822 140 2HB GLU 17 1HB GLU 17 -11.285 -15.341 3.799 141 1HG GLU 17 2HG GLU 17 -9.587 -17.146 3.346 142 2HG GLU 17 1HG GLU 17 -8.322 -15.944 3.602 143 H TYR 18 H TYR 18 -11.497 -17.241 1.367 144 HA TYR 18 HA TYR 18 -13.633 -16.400 -0.317 145 1HB TYR 18 2HB TYR 18 -14.455 -18.664 0.038 146 2HB TYR 18 1HB TYR 18 -12.697 -18.709 -0.039 147 HD1 TYR 18 1HD TYR 18 -11.359 -19.237 1.923 148 HD2 TYR 18 2HD TYR 18 -15.637 -18.934 2.194 149 HE1 TYR 18 1HE TYR 18 -11.293 -20.286 4.168 150 HE2 TYR 18 2HE TYR 18 -15.568 -19.984 4.438 151 HH TYR 18 HH TYR 18 -12.871 -20.219 6.276 152 H ILE 19 H ILE 19 -13.378 -16.312 3.187 153 HA ILE 19 HA ILE 19 -16.313 -15.778 3.406 154 HB ILE 19 HB ILE 19 -15.145 -17.586 4.742 155 1HG1 ILE 19 2HG1 ILE 19 -16.162 -15.584 6.712 156 2HG1 ILE 19 1HG1 ILE 19 -17.248 -16.070 5.411 157 1HG2 ILE 19 1HG2 ILE 19 -13.594 -17.064 6.415 158 2HG2 ILE 19 2HG2 ILE 19 -14.067 -15.366 6.459 159 3HG2 ILE 19 3HG2 ILE 19 -13.113 -15.981 5.109 160 1HD1 ILE 19 1HD1 ILE 19 -17.745 -17.731 6.931 161 2HD1 ILE 19 2HD1 ILE 19 -16.141 -17.687 7.662 162 3HD1 ILE 19 3HD1 ILE 19 -16.383 -18.503 6.118 163 H LYS 20 H LYS 20 -14.134 -13.813 2.483 164 HA LYS 20 HA LYS 20 -13.687 -11.518 2.757 165 1HB LYS 20 2HB LYS 20 -16.304 -11.884 3.092 166 2HB LYS 20 1HB LYS 20 -15.933 -11.381 4.741 167 1HG LYS 20 2HG LYS 20 -16.219 -9.282 3.887 168 2HG LYS 20 1HG LYS 20 -14.557 -9.496 3.342 169 1HD LYS 20 2HD LYS 20 -15.309 -9.185 1.238 170 2HD LYS 20 1HD LYS 20 -16.100 -10.754 1.372 171 1HE LYS 20 2HE LYS 20 -18.002 -9.534 0.956 172 2HE LYS 20 1HE LYS 20 -17.901 -9.152 2.685 173 1HZ LYS 20 1HZ LYS 20 -17.989 -7.197 1.066 174 2HZ LYS 20 2HZ LYS 20 -16.386 -7.598 0.663 175 3HZ LYS 20 3HZ LYS 20 -16.783 -7.159 2.257 176 H THR 21 H THR 21 -11.995 -13.049 4.304 177 HA THR 21 HA THR 21 -12.055 -11.926 7.069 178 HB THR 21 HB THR 21 -10.351 -14.051 5.731 179 HG1 THR 21 1HG THR 21 -11.651 -15.448 6.918 180 1HG2 THR 21 1HG2 THR 21 -9.150 -13.000 7.588 181 2HG2 THR 21 2HG2 THR 21 -9.672 -14.619 8.051 182 3HG2 THR 21 3HG2 THR 21 -10.554 -13.208 8.635 183 H TRP 22 H TRP 22 -10.305 -10.692 7.866 184 HA TRP 22 HA TRP 22 -8.596 -9.405 5.778 185 1HB TRP 22 2HB TRP 22 -9.399 -8.658 8.614 186 2HB TRP 22 1HB TRP 22 -8.319 -7.690 7.613 187 HD1 TRP 22 HD TRP 22 -11.959 -8.841 7.855 188 HE1 TRP 22 1HE TRP 22 -13.409 -7.327 6.357 189 HE3 TRP 22 3HE TRP 22 -8.304 -6.120 5.553 190 HZ2 TRP 22 2HZ TRP 22 -13.065 -5.237 4.436 191 HZ3 TRP 22 3HZ TRP 22 -8.892 -4.376 3.896 192 HH2 TRP 22 HH TRP 22 -11.265 -3.931 3.333 193 H ARG 23 H ARG 23 -6.592 -10.356 5.616 194 HA ARG 23 HA ARG 23 -5.363 -11.577 8.048 195 1HB ARG 23 2HB ARG 23 -4.715 -11.738 5.085 196 2HB ARG 23 1HB ARG 23 -3.873 -12.638 6.344 197 1HG ARG 23 2HG ARG 23 -6.827 -12.857 5.671 198 2HG ARG 23 1HG ARG 23 -5.589 -14.052 5.292 199 1HD ARG 23 2HD ARG 23 -6.159 -13.166 8.139 200 2HD ARG 23 1HD ARG 23 -6.968 -14.549 7.388 201 HE ARG 23 HE ARG 23 -4.021 -14.333 7.852 202 1HH1 ARG 23 1HH2 ARG 23 -6.820 -16.195 6.893 203 2HH1 ARG 23 2HH2 ARG 23 -6.000 -17.709 7.058 204 1HH2 ARG 23 1HH1 ARG 23 -2.987 -16.319 8.047 205 2HH2 ARG 23 2HH1 ARG 23 -3.848 -17.783 7.706 206 HA PRO 24 HA PRO 24 -2.526 -8.223 8.396 207 1HB PRO 24 2HB PRO 24 -0.501 -9.486 9.736 208 2HB PRO 24 1HB PRO 24 -2.036 -9.033 10.502 209 1HG PRO 24 2HG PRO 24 -1.129 -11.682 9.506 210 2HG PRO 24 1HG PRO 24 -2.091 -11.281 10.937 211 1HD PRO 24 2HD PRO 24 -3.148 -12.261 8.613 212 2HD PRO 24 1HD PRO 24 -4.052 -11.261 9.770 213 H ARG 25 H ARG 25 -0.970 -7.386 7.048 214 HA ARG 25 HA ARG 25 0.906 -9.240 5.618 215 1HB ARG 25 2HB ARG 25 -1.140 -7.305 4.561 216 2HB ARG 25 1HB ARG 25 0.338 -7.572 3.638 217 1HG ARG 25 2HG ARG 25 -0.884 -9.278 2.730 218 2HG ARG 25 1HG ARG 25 -0.327 -10.137 4.166 219 1HD ARG 25 2HD ARG 25 -2.391 -9.981 5.227 220 2HD ARG 25 1HD ARG 25 -2.838 -8.498 4.363 221 HE ARG 25 HE ARG 25 -3.657 -9.835 2.602 222 1HH1 ARG 25 1HH2 ARG 25 -1.499 -11.650 4.641 223 2HH1 ARG 25 2HH2 ARG 25 -1.799 -13.147 3.827 224 1HH2 ARG 25 1HH1 ARG 25 -4.044 -11.794 1.552 225 2HH2 ARG 25 2HH1 ARG 25 -3.231 -13.228 2.079 226 H TYR 26 H TYR 26 2.986 -8.321 5.366 227 HA TYR 26 HA TYR 26 3.522 -5.788 6.768 228 1HB TYR 26 2HB TYR 26 5.021 -7.788 6.857 229 2HB TYR 26 1HB TYR 26 5.325 -7.616 5.138 230 HD1 TYR 26 1HD TYR 26 4.891 -4.499 6.952 231 HD2 TYR 26 2HD TYR 26 7.767 -7.473 5.790 232 HE1 TYR 26 1HE TYR 26 6.729 -2.903 7.411 233 HE2 TYR 26 2HE TYR 26 9.602 -5.875 6.251 234 HH TYR 26 HH TYR 26 9.575 -3.003 6.275 235 H PHE 27 H PHE 27 2.956 -3.932 5.675 236 HA PHE 27 HA PHE 27 3.283 -3.833 2.711 237 1HB PHE 27 2HB PHE 27 1.589 -2.572 4.787 238 2HB PHE 27 1HB PHE 27 2.047 -1.519 3.449 239 HD1 PHE 27 1HD PHE 27 0.799 -5.006 4.072 240 HD2 PHE 27 2HD PHE 27 0.774 -1.570 1.493 241 HE1 PHE 27 1HE PHE 27 -0.895 -6.101 2.630 242 HE2 PHE 27 2HE PHE 27 -0.919 -2.666 0.050 243 HZ PHE 27 HZ PHE 27 -1.753 -4.932 0.619 244 H LEU 28 H LEU 28 4.805 -2.559 1.762 245 HA LEU 28 HA LEU 28 6.386 -0.672 3.494 246 1HB LEU 28 2HB LEU 28 7.169 -2.741 1.437 247 2HB LEU 28 1HB LEU 28 8.250 -1.404 1.821 248 HG LEU 28 HG LEU 28 7.924 -2.098 4.292 249 1HD1 LEU 28 1HD1 LEU 28 6.268 -3.671 4.463 250 2HD1 LEU 28 2HD1 LEU 28 7.587 -4.783 4.109 251 3HD1 LEU 28 3HD1 LEU 28 6.509 -4.254 2.817 252 1HD2 LEU 28 1HD2 LEU 28 9.340 -4.036 2.436 253 2HD2 LEU 28 2HD2 LEU 28 9.735 -3.715 4.124 254 3HD2 LEU 28 3HD2 LEU 28 9.986 -2.464 2.907 255 H LEU 29 H LEU 29 6.615 1.392 2.630 256 HA LEU 29 HA LEU 29 5.625 1.827 -0.174 257 1HB LEU 29 2HB LEU 29 4.858 2.914 2.293 258 2HB LEU 29 1HB LEU 29 5.833 4.179 1.546 259 HG LEU 29 HG LEU 29 3.464 2.775 0.272 260 1HD1 LEU 29 1HD1 LEU 29 2.239 4.740 0.649 261 2HD1 LEU 29 2HD1 LEU 29 3.689 5.709 0.904 262 3HD1 LEU 29 3HD1 LEU 29 3.161 4.571 2.143 263 1HD2 LEU 29 1HD2 LEU 29 5.382 4.892 -0.743 264 2HD2 LEU 29 2HD2 LEU 29 3.806 4.602 -1.478 265 3HD2 LEU 29 3HD2 LEU 29 5.022 3.327 -1.471 266 H LYS 30 H LYS 30 7.071 2.711 -1.634 267 HA LYS 30 HA LYS 30 9.787 3.451 -0.630 268 1HB LYS 30 2HB LYS 30 8.601 2.131 -2.972 269 2HB LYS 30 1HB LYS 30 9.835 3.314 -3.401 270 1HG LYS 30 2HG LYS 30 10.742 1.783 -1.136 271 2HG LYS 30 1HG LYS 30 10.232 0.683 -2.416 272 1HD LYS 30 2HD LYS 30 11.610 2.088 -4.024 273 2HD LYS 30 1HD LYS 30 12.267 2.914 -2.612 274 1HE LYS 30 2HE LYS 30 13.855 1.241 -2.779 275 2HE LYS 30 1HE LYS 30 12.648 0.338 -1.840 276 1HZ LYS 30 1HZ LYS 30 13.095 0.314 -4.766 277 2HZ LYS 30 2HZ LYS 30 11.610 -0.174 -4.100 278 3HZ LYS 30 3HZ LYS 30 13.037 -1.000 -3.698 279 H SER 31 H SER 31 10.839 5.192 -2.171 280 HA SER 31 HA SER 31 9.155 7.612 -2.040 281 1HB SER 31 2HB SER 31 11.585 7.390 -1.326 282 2HB SER 31 1HB SER 31 11.999 7.250 -3.031 283 HG SER 31 HG SER 31 10.814 9.428 -1.659 284 H ASP 32 H ASP 32 9.538 5.220 -4.374 285 HA ASP 32 HA ASP 32 9.468 7.083 -6.696 286 1HB ASP 32 2HB ASP 32 10.828 4.836 -6.330 287 2HB ASP 32 1HB ASP 32 9.322 4.089 -6.860 288 H GLY 33 H GLY 33 7.184 5.961 -4.592 289 1HA GLY 33 2HA GLY 33 4.822 6.079 -4.839 290 2HA GLY 33 1HA GLY 33 5.038 6.236 -6.583 291 H SER 34 H SER 34 6.548 3.692 -4.661 292 HA SER 34 HA SER 34 4.767 1.695 -6.023 293 1HB SER 34 2HB SER 34 6.824 0.247 -5.974 294 2HB SER 34 1HB SER 34 7.024 1.703 -6.941 295 HG SER 34 HG SER 34 8.229 0.940 -4.579 296 H PHE 35 H PHE 35 3.830 0.179 -4.696 297 HA PHE 35 HA PHE 35 4.488 0.299 -1.769 298 1HB PHE 35 2HB PHE 35 2.132 0.691 -3.201 299 2HB PHE 35 1HB PHE 35 1.972 -0.961 -2.608 300 HD1 PHE 35 1HD PHE 35 3.239 -1.003 -0.034 301 HD2 PHE 35 2HD PHE 35 0.930 2.141 -1.834 302 HE1 PHE 35 1HE PHE 35 2.661 -0.139 2.213 303 HE2 PHE 35 2HE PHE 35 0.354 3.005 0.414 304 HZ PHE 35 HZ PHE 35 1.220 1.866 2.441 305 H ILE 36 H ILE 36 5.266 -1.573 -0.844 306 HA ILE 36 HA ILE 36 5.234 -4.077 -2.485 307 HB ILE 36 HB ILE 36 7.013 -2.877 -0.370 308 1HG1 ILE 36 2HG1 ILE 36 8.735 -3.754 -2.068 309 2HG1 ILE 36 1HG1 ILE 36 7.362 -4.078 -3.125 310 1HG2 ILE 36 1HG2 ILE 36 8.215 -5.103 -0.298 311 2HG2 ILE 36 2HG2 ILE 36 6.810 -5.815 -1.094 312 3HG2 ILE 36 3HG2 ILE 36 6.646 -5.096 0.509 313 1HD1 ILE 36 1HD1 ILE 36 7.549 -1.369 -1.874 314 2HD1 ILE 36 2HD1 ILE 36 6.901 -1.837 -3.446 315 3HD1 ILE 36 3HD1 ILE 36 8.646 -1.742 -3.205 316 H GLY 37 H GLY 37 3.901 -5.704 -1.803 317 1HA GLY 37 2HA GLY 37 2.770 -5.499 0.957 318 2HA GLY 37 1HA GLY 37 1.903 -6.186 -0.414 319 H TYR 38 H TYR 38 3.058 -7.180 2.328 320 HA TYR 38 HA TYR 38 4.382 -9.660 1.263 321 1HB TYR 38 2HB TYR 38 4.526 -8.086 3.829 322 2HB TYR 38 1HB TYR 38 5.082 -9.756 3.766 323 HD1 TYR 38 1HD TYR 38 6.368 -6.665 3.841 324 HD2 TYR 38 2HD TYR 38 6.346 -10.047 1.204 325 HE1 TYR 38 1HE TYR 38 8.521 -5.926 2.882 326 HE2 TYR 38 2HE TYR 38 8.500 -9.309 0.241 327 HH TYR 38 HH TYR 38 9.667 -6.541 0.242 328 H LYS 39 H LYS 39 3.294 -11.591 1.623 329 HA LYS 39 HA LYS 39 0.595 -11.517 2.728 330 1HB LYS 39 2HB LYS 39 0.529 -13.816 1.990 331 2HB LYS 39 1HB LYS 39 1.413 -12.892 0.778 332 1HG LYS 39 2HG LYS 39 3.526 -13.708 1.568 333 2HG LYS 39 1HG LYS 39 2.793 -14.397 3.017 334 1HD LYS 39 2HD LYS 39 1.351 -15.774 1.317 335 2HD LYS 39 1HD LYS 39 2.635 -15.373 0.176 336 1HE LYS 39 2HE LYS 39 3.441 -16.427 2.867 337 2HE LYS 39 1HE LYS 39 2.804 -17.572 1.671 338 1HZ LYS 39 1HZ LYS 39 5.152 -17.351 1.321 339 2HZ LYS 39 2HZ LYS 39 5.043 -15.656 1.283 340 3HZ LYS 39 3HZ LYS 39 4.356 -16.582 0.035 341 H GLU 40 H GLU 40 3.762 -12.552 3.951 342 HA GLU 40 HA GLU 40 2.916 -12.517 6.701 343 1HB GLU 40 2HB GLU 40 1.978 -14.734 5.301 344 2HB GLU 40 1HB GLU 40 3.436 -15.346 6.084 345 1HG GLU 40 2HG GLU 40 1.184 -13.877 7.491 346 2HG GLU 40 1HG GLU 40 1.444 -15.620 7.535 347 H ARG 41 H ARG 41 4.797 -12.408 7.931 348 HA ARG 41 HA ARG 41 7.204 -13.903 7.518 349 1HB ARG 41 2HB ARG 41 8.508 -12.014 6.418 350 2HB ARG 41 1HB ARG 41 7.308 -12.777 5.377 351 1HG ARG 41 2HG ARG 41 5.730 -10.985 5.756 352 2HG ARG 41 1HG ARG 41 6.749 -10.287 7.014 353 1HD ARG 41 2HD ARG 41 6.853 -9.191 4.685 354 2HD ARG 41 1HD ARG 41 8.404 -9.616 5.436 355 HE ARG 41 HE ARG 41 7.161 -11.726 3.775 356 1HH1 ARG 41 1HH2 ARG 41 9.370 -9.067 3.927 357 2HH1 ARG 41 2HH2 ARG 41 10.428 -9.719 2.724 358 1HH2 ARG 41 1HH1 ARG 41 8.552 -12.587 2.225 359 2HH2 ARG 41 2HH1 ARG 41 9.963 -11.700 1.756 360 HA PRO 42 HA PRO 42 8.272 -11.460 11.080 361 1HB PRO 42 2HB PRO 42 10.974 -11.856 11.177 362 2HB PRO 42 1HB PRO 42 9.807 -13.130 11.580 363 1HG PRO 42 2HG PRO 42 11.479 -12.802 9.177 364 2HG PRO 42 1HG PRO 42 10.820 -14.271 9.906 365 1HD PRO 42 2HD PRO 42 9.827 -12.918 7.642 366 2HD PRO 42 1HD PRO 42 9.037 -14.241 8.524 367 H GLU 43 H GLU 43 8.407 -9.225 11.121 368 HA GLU 43 HA GLU 43 9.445 -7.676 8.919 369 1HB GLU 43 2HB GLU 43 9.120 -5.781 10.650 370 2HB GLU 43 1HB GLU 43 7.702 -6.719 10.203 371 1HG GLU 43 2HG GLU 43 9.107 -7.941 12.444 372 2HG GLU 43 1HG GLU 43 8.654 -6.275 12.800 373 H ALA 44 H ALA 44 10.926 -8.866 11.878 374 HA ALA 44 HA ALA 44 13.191 -8.882 12.547 375 1HB ALA 44 1HB ALA 44 14.131 -7.347 10.202 376 2HB ALA 44 2HB ALA 44 13.196 -8.787 9.802 377 3HB ALA 44 3HB ALA 44 14.648 -8.928 10.790 378 HA PRO 45 HA PRO 45 13.872 -4.954 14.393 379 1HB PRO 45 2HB PRO 45 16.595 -4.916 14.719 380 2HB PRO 45 1HB PRO 45 15.513 -5.920 15.707 381 1HG PRO 45 2HG PRO 45 17.186 -6.682 13.362 382 2HG PRO 45 1HG PRO 45 16.876 -7.570 14.863 383 1HD PRO 45 2HD PRO 45 15.630 -8.147 12.520 384 2HD PRO 45 1HD PRO 45 14.879 -8.414 14.109 385 H ASP 46 H ASP 46 16.152 -5.672 11.729 386 HA ASP 46 HA ASP 46 16.221 -2.776 11.022 387 1HB ASP 46 2HB ASP 46 18.327 -4.086 11.361 388 2HB ASP 46 1HB ASP 46 17.856 -5.141 10.032 389 H GLN 47 H GLN 47 16.807 -5.138 8.516 390 HA GLN 47 HA GLN 47 14.104 -5.330 7.510 391 1HB GLN 47 2HB GLN 47 15.498 -2.882 7.111 392 2HB GLN 47 1HB GLN 47 15.424 -3.690 5.545 393 1HG GLN 47 2HG GLN 47 12.975 -3.543 7.292 394 2HG GLN 47 1HG GLN 47 13.421 -2.177 6.270 395 1HE2 GLN 47 1HE2 GLN 47 11.552 -4.948 6.255 396 2HE2 GLN 47 2HE2 GLN 47 11.505 -5.235 4.582 397 H THR 48 H THR 48 15.640 -7.438 7.710 398 HA THR 48 HA THR 48 17.091 -7.858 5.127 399 HB THR 48 HB THR 48 18.230 -8.312 7.302 400 HG1 THR 48 1HG THR 48 17.650 -10.638 5.783 401 1HG2 THR 48 1HG2 THR 48 17.173 -9.385 8.971 402 2HG2 THR 48 2HG2 THR 48 16.915 -10.792 7.941 403 3HG2 THR 48 3HG2 THR 48 15.735 -9.483 7.955 404 H LEU 49 H LEU 49 14.432 -7.709 4.759 405 HA LEU 49 HA LEU 49 13.446 -10.537 4.611 406 1HB LEU 49 2HB LEU 49 12.275 -7.878 5.235 407 2HB LEU 49 1HB LEU 49 11.259 -8.948 4.282 408 HG LEU 49 HG LEU 49 10.815 -9.276 6.670 409 1HD1 LEU 49 1HD1 LEU 49 10.960 -11.644 6.721 410 2HD1 LEU 49 2HD1 LEU 49 12.423 -11.657 5.737 411 3HD1 LEU 49 3HD1 LEU 49 10.873 -11.234 5.009 412 1HD2 LEU 49 1HD2 LEU 49 13.257 -8.583 7.252 413 2HD2 LEU 49 2HD2 LEU 49 13.634 -10.289 7.011 414 3HD2 LEU 49 3HD2 LEU 49 12.477 -9.808 8.251 415 HA PRO 50 HA PRO 50 13.779 -9.946 0.203 416 1HB PRO 50 2HB PRO 50 12.604 -12.299 -0.548 417 2HB PRO 50 1HB PRO 50 14.261 -12.204 0.080 418 1HG PRO 50 2HG PRO 50 11.768 -13.060 1.442 419 2HG PRO 50 1HG PRO 50 13.421 -13.661 1.627 420 1HD PRO 50 2HD PRO 50 12.170 -11.946 3.383 421 2HD PRO 50 1HD PRO 50 13.930 -12.119 3.219 422 HA PRO 51 HA PRO 51 9.801 -8.359 -0.903 423 1HB PRO 51 2HB PRO 51 9.984 -8.423 -3.633 424 2HB PRO 51 1HB PRO 51 10.842 -7.237 -2.630 425 1HG PRO 51 2HG PRO 51 11.856 -9.744 -3.877 426 2HG PRO 51 1HG PRO 51 12.641 -8.164 -3.721 427 1HD PRO 51 2HD PRO 51 13.218 -10.271 -2.107 428 2HD PRO 51 1HD PRO 51 13.348 -8.579 -1.579 429 H LEU 52 H LEU 52 7.733 -9.031 -1.755 430 HA LEU 52 HA LEU 52 7.564 -11.870 -2.702 431 1HB LEU 52 2HB LEU 52 6.994 -11.023 -0.157 432 2HB LEU 52 1HB LEU 52 5.415 -10.866 -0.926 433 HG LEU 52 HG LEU 52 6.875 -13.366 -1.548 434 1HD1 LEU 52 1HD1 LEU 52 7.051 -12.608 1.058 435 2HD1 LEU 52 2HD1 LEU 52 6.932 -14.289 0.541 436 3HD1 LEU 52 3HD1 LEU 52 5.490 -13.424 1.072 437 1HD2 LEU 52 1HD2 LEU 52 4.661 -14.295 -1.415 438 2HD2 LEU 52 2HD2 LEU 52 4.502 -12.734 -2.219 439 3HD2 LEU 52 3HD2 LEU 52 4.062 -12.899 -0.519 440 H ASN 53 H ASN 53 5.525 -8.960 -2.114 441 HA ASN 53 HA ASN 53 4.413 -9.306 -4.885 442 1HB ASN 53 2HB ASN 53 2.951 -8.453 -2.360 443 2HB ASN 53 1HB ASN 53 2.229 -8.652 -3.953 444 1HD2 ASN 53 1HD2 ASN 53 2.622 -10.983 -4.922 445 2HD2 ASN 53 2HD2 ASN 53 2.471 -12.273 -3.830 446 H ASN 54 H ASN 54 4.589 -7.446 -6.102 447 HA ASN 54 HA ASN 54 5.270 -4.909 -4.651 448 1HB ASN 54 2HB ASN 54 6.739 -6.320 -6.462 449 2HB ASN 54 1HB ASN 54 5.883 -5.212 -7.535 450 1HD2 ASN 54 1HD2 ASN 54 6.133 -2.839 -7.070 451 2HD2 ASN 54 2HD2 ASN 54 7.516 -2.296 -6.250 452 H PHE 55 H PHE 55 4.033 -3.109 -5.049 453 HA PHE 55 HA PHE 55 1.874 -3.310 -7.129 454 1HB PHE 55 2HB PHE 55 1.030 -3.573 -4.842 455 2HB PHE 55 1HB PHE 55 1.868 -2.106 -4.339 456 HD1 PHE 55 1HD PHE 55 0.451 -0.281 -4.050 457 HD2 PHE 55 2HD PHE 55 -0.358 -3.077 -7.208 458 HE1 PHE 55 1HE PHE 55 -1.502 1.076 -4.755 459 HE2 PHE 55 2HE PHE 55 -2.308 -1.721 -7.913 460 HZ PHE 55 HZ PHE 55 -2.881 0.355 -6.686 461 H SER 56 H SER 56 1.569 -1.463 -8.393 462 HA SER 56 HA SER 56 3.557 0.750 -8.032 463 1HB SER 56 2HB SER 56 2.624 1.086 -10.527 464 2HB SER 56 1HB SER 56 3.885 -0.088 -10.167 465 HG SER 56 HG SER 56 1.102 -0.509 -10.512 466 H VAL 57 H VAL 57 2.774 2.734 -7.437 467 HA VAL 57 HA VAL 57 -0.063 3.424 -8.043 468 HB VAL 57 HB VAL 57 -0.063 2.417 -5.830 469 1HG1 VAL 57 1HG1 VAL 57 2.237 4.308 -5.295 470 2HG1 VAL 57 2HG1 VAL 57 2.230 2.549 -5.178 471 3HG1 VAL 57 3HG1 VAL 57 1.336 3.513 -4.004 472 1HG2 VAL 57 1HG2 VAL 57 -0.159 5.056 -4.703 473 2HG2 VAL 57 2HG2 VAL 57 -1.502 4.006 -5.154 474 3HG2 VAL 57 3HG2 VAL 57 -0.813 5.115 -6.339 475 H ALA 58 H ALA 58 1.422 4.696 -9.632 476 HA ALA 58 HA ALA 58 2.786 7.048 -8.454 477 1HB ALA 58 1HB ALA 58 2.312 6.085 -11.295 478 2HB ALA 58 2HB ALA 58 3.777 5.842 -10.342 479 3HB ALA 58 3HB ALA 58 3.323 7.464 -10.865 480 H GLU 59 H GLU 59 -0.152 6.269 -10.281 481 HA GLU 59 HA GLU 59 -1.185 9.014 -9.699 482 1HB GLU 59 2HB GLU 59 -2.098 8.997 -12.059 483 2HB GLU 59 1HB GLU 59 -0.340 9.058 -11.972 484 1HG GLU 59 2HG GLU 59 -0.236 7.195 -13.233 485 2HG GLU 59 1HG GLU 59 -1.073 6.307 -11.961 486 H CYS 60 H CYS 60 -1.849 6.776 -8.188 487 HA CYS 60 HA CYS 60 -4.422 5.709 -9.236 488 1HB CYS 60 2HB CYS 60 -2.661 5.117 -6.838 489 2HB CYS 60 1HB CYS 60 -4.189 4.292 -7.141 490 H GLN 61 H GLN 61 -5.970 5.404 -7.048 491 HA GLN 61 HA GLN 61 -6.227 8.132 -5.824 492 1HB GLN 61 2HB GLN 61 -8.658 7.931 -6.189 493 2HB GLN 61 1HB GLN 61 -7.791 7.786 -7.717 494 1HG GLN 61 2HG GLN 61 -7.966 5.164 -6.648 495 2HG GLN 61 1HG GLN 61 -9.563 5.885 -6.461 496 1HE2 GLN 61 1HE2 GLN 61 -7.016 6.100 -9.029 497 2HE2 GLN 61 2HE2 GLN 61 -8.078 5.744 -10.301 498 H LEU 62 H LEU 62 -6.481 8.084 -3.621 499 HA LEU 62 HA LEU 62 -7.255 5.474 -2.350 500 1HB LEU 62 2HB LEU 62 -4.811 6.162 -2.229 501 2HB LEU 62 1HB LEU 62 -5.325 7.553 -1.273 502 HG LEU 62 HG LEU 62 -6.465 5.023 -0.316 503 1HD1 LEU 62 1HD1 LEU 62 -4.455 3.938 -0.867 504 2HD1 LEU 62 2HD1 LEU 62 -4.168 4.472 0.789 505 3HD1 LEU 62 3HD1 LEU 62 -3.482 5.377 -0.561 506 1HD2 LEU 62 1HD2 LEU 62 -5.151 7.492 0.746 507 2HD2 LEU 62 2HD2 LEU 62 -5.175 6.063 1.778 508 3HD2 LEU 62 3HD2 LEU 62 -6.689 6.757 1.198 509 H MET 63 H MET 63 -8.902 5.626 -0.869 510 HA MET 63 HA MET 63 -9.729 8.356 0.070 511 1HB MET 63 2HB MET 63 -11.205 7.618 -1.700 512 2HB MET 63 1HB MET 63 -11.355 6.018 -0.976 513 1HG MET 63 2HG MET 63 -13.187 6.775 0.098 514 2HG MET 63 1HG MET 63 -12.117 7.791 1.062 515 1HE MET 63 1HE MET 63 -10.977 10.013 -0.468 516 2HE MET 63 2HE MET 63 -11.919 10.154 1.015 517 3HE MET 63 3HE MET 63 -12.259 11.226 -0.341 518 H LYS 64 H LYS 64 -10.110 8.476 2.265 519 HA LYS 64 HA LYS 64 -9.601 6.103 3.935 520 1HB LYS 64 2HB LYS 64 -9.673 7.743 5.746 521 2HB LYS 64 1HB LYS 64 -8.748 8.421 4.409 522 1HG LYS 64 2HG LYS 64 -11.361 9.185 3.830 523 2HG LYS 64 1HG LYS 64 -11.268 9.345 5.583 524 1HD LYS 64 2HD LYS 64 -8.911 10.375 4.126 525 2HD LYS 64 1HD LYS 64 -10.408 11.253 3.820 526 1HE LYS 64 2HE LYS 64 -10.511 10.923 6.557 527 2HE LYS 64 1HE LYS 64 -8.775 11.157 6.273 528 1HZ LYS 64 1HZ LYS 64 -10.964 12.884 5.232 529 2HZ LYS 64 2HZ LYS 64 -9.311 13.082 4.884 530 3HZ LYS 64 3HZ LYS 64 -9.881 13.292 6.471 531 H THR 65 H THR 65 -11.189 5.116 5.308 532 HA THR 65 HA THR 65 -13.980 6.114 5.187 533 HB THR 65 HB THR 65 -13.667 4.778 3.144 534 HG1 THR 65 1HG THR 65 -15.393 3.434 3.474 535 1HG2 THR 65 1HG2 THR 65 -11.846 3.342 3.753 536 2HG2 THR 65 2HG2 THR 65 -13.231 2.296 3.436 537 3HG2 THR 65 3HG2 THR 65 -12.758 2.653 5.097 538 H GLU 66 H GLU 66 -15.441 4.574 6.482 539 HA GLU 66 HA GLU 66 -13.951 3.520 8.869 540 1HB GLU 66 2HB GLU 66 -16.739 4.714 8.660 541 2HB GLU 66 1HB GLU 66 -15.907 4.268 10.150 542 1HG GLU 66 2HG GLU 66 -14.443 6.126 8.351 543 2HG GLU 66 1HG GLU 66 -15.877 6.781 9.137 544 H ARG 67 H ARG 67 -15.270 2.311 6.208 545 HA ARG 67 HA ARG 67 -16.614 0.044 7.636 546 1HB ARG 67 2HB ARG 67 -17.422 1.697 5.261 547 2HB ARG 67 1HB ARG 67 -17.953 0.017 5.357 548 1HG ARG 67 2HG ARG 67 -19.191 0.383 7.317 549 2HG ARG 67 1HG ARG 67 -18.301 1.851 7.720 550 1HD ARG 67 2HD ARG 67 -20.178 1.574 5.341 551 2HD ARG 67 1HD ARG 67 -20.586 2.379 6.868 552 HE ARG 67 HE ARG 67 -18.785 3.424 4.807 553 1HH1 ARG 67 1HH2 ARG 67 -19.675 3.452 8.172 554 2HH1 ARG 67 2HH2 ARG 67 -18.980 5.009 8.464 555 1HH2 ARG 67 1HH1 ARG 67 -17.885 5.448 5.199 556 2HH2 ARG 67 2HH1 ARG 67 -17.961 6.135 6.788 557 HA PRO 68 HA PRO 68 -17.406 -1.925 7.043 558 1HB PRO 68 2HB PRO 68 -16.293 -4.245 7.986 559 2HB PRO 68 1HB PRO 68 -17.068 -4.111 6.394 560 1HG PRO 68 2HG PRO 68 -14.174 -4.043 7.100 561 2HG PRO 68 1HG PRO 68 -14.985 -4.840 5.742 562 1HD PRO 68 2HD PRO 68 -13.663 -2.493 5.477 563 2HD PRO 68 1HD PRO 68 -15.081 -2.912 4.493 564 H ARG 69 H ARG 69 -14.015 -1.688 8.064 565 HA ARG 69 HA ARG 69 -14.938 -1.260 10.889 566 1HB ARG 69 2HB ARG 69 -12.539 -2.482 9.584 567 2HB ARG 69 1HB ARG 69 -12.306 -1.689 11.140 568 1HG ARG 69 2HG ARG 69 -13.835 -3.133 12.235 569 2HG ARG 69 1HG ARG 69 -14.521 -3.696 10.712 570 1HD ARG 69 2HD ARG 69 -13.097 -5.480 11.393 571 2HD ARG 69 1HD ARG 69 -12.118 -4.590 10.213 572 HE ARG 69 HE ARG 69 -10.770 -3.758 11.989 573 1HH1 ARG 69 1HH2 ARG 69 -13.599 -5.400 13.185 574 2HH1 ARG 69 2HH2 ARG 69 -13.051 -5.396 14.823 575 1HH2 ARG 69 1HH1 ARG 69 -10.071 -3.758 14.130 576 2HH2 ARG 69 2HH1 ARG 69 -11.062 -4.471 15.359 577 HA PRO 70 HA PRO 70 -13.595 2.920 10.717 578 1HB PRO 70 2HB PRO 70 -12.457 3.264 13.188 579 2HB PRO 70 1HB PRO 70 -14.210 3.145 12.933 580 1HG PRO 70 2HG PRO 70 -12.284 1.048 13.828 581 2HG PRO 70 1HG PRO 70 -13.915 1.408 14.422 582 1HD PRO 70 2HD PRO 70 -13.410 -0.641 12.739 583 2HD PRO 70 1HD PRO 70 -14.939 0.268 12.701 584 H ASN 71 H ASN 71 -11.654 4.275 10.557 585 HA ASN 71 HA ASN 71 -9.414 4.675 9.939 586 1HB ASN 71 2HB ASN 71 -9.022 2.318 11.821 587 2HB ASN 71 1HB ASN 71 -7.760 3.439 11.318 588 1HD2 ASN 71 1HD2 ASN 71 -7.994 5.741 12.036 589 2HD2 ASN 71 2HD2 ASN 71 -8.920 6.100 13.412 590 H THR 72 H THR 72 -10.602 3.532 7.906 591 HA THR 72 HA THR 72 -8.851 1.247 7.034 592 HB THR 72 HB THR 72 -11.799 1.845 6.699 593 HG1 THR 72 1HG THR 72 -11.885 0.364 8.152 594 1HG2 THR 72 1HG2 THR 72 -11.123 1.201 4.493 595 2HG2 THR 72 2HG2 THR 72 -11.820 -0.234 5.242 596 3HG2 THR 72 3HG2 THR 72 -10.070 -0.067 5.119 597 H PHE 73 H PHE 73 -8.443 1.214 4.674 598 HA PHE 73 HA PHE 73 -8.709 3.919 3.387 599 1HB PHE 73 2HB PHE 73 -6.444 2.055 3.842 600 2HB PHE 73 1HB PHE 73 -6.496 2.812 2.252 601 HD1 PHE 73 1HD PHE 73 -7.786 5.446 3.023 602 HD2 PHE 73 2HD PHE 73 -4.615 3.189 4.840 603 HE1 PHE 73 1HE PHE 73 -6.850 7.531 3.984 604 HE2 PHE 73 2HE PHE 73 -3.680 5.273 5.798 605 HZ PHE 73 HZ PHE 73 -4.797 7.443 5.371 606 H VAL 74 H VAL 74 -9.219 3.918 1.159 607 HA VAL 74 HA VAL 74 -9.819 1.245 -0.082 608 HB VAL 74 HB VAL 74 -11.363 3.858 -0.305 609 1HG1 VAL 74 1HG1 VAL 74 -11.596 2.516 -2.314 610 2HG1 VAL 74 2HG1 VAL 74 -13.080 2.367 -1.372 611 3HG1 VAL 74 3HG1 VAL 74 -11.891 1.063 -1.358 612 1HG2 VAL 74 1HG2 VAL 74 -11.532 2.766 1.938 613 2HG2 VAL 74 2HG2 VAL 74 -12.087 1.290 1.147 614 3HG2 VAL 74 3HG2 VAL 74 -13.064 2.756 1.065 615 H ILE 75 H ILE 75 -8.826 0.982 -2.066 616 HA ILE 75 HA ILE 75 -7.975 3.437 -3.566 617 HB ILE 75 HB ILE 75 -6.133 2.451 -2.203 618 1HG1 ILE 75 2HG1 ILE 75 -5.253 1.695 -4.913 619 2HG1 ILE 75 1HG1 ILE 75 -6.050 3.266 -4.831 620 1HG2 ILE 75 1HG2 ILE 75 -7.005 0.093 -2.322 621 2HG2 ILE 75 2HG2 ILE 75 -5.285 0.237 -2.679 622 3HG2 ILE 75 3HG2 ILE 75 -6.442 0.023 -3.992 623 1HD1 ILE 75 1HD1 ILE 75 -3.784 2.408 -3.008 624 2HD1 ILE 75 2HD1 ILE 75 -4.521 4.009 -3.091 625 3HD1 ILE 75 3HD1 ILE 75 -3.577 3.401 -4.452 626 H ARG 76 H ARG 76 -8.242 3.266 -5.826 627 HA ARG 76 HA ARG 76 -9.406 0.678 -6.801 628 1HB ARG 76 2HB ARG 76 -10.035 3.544 -7.123 629 2HB ARG 76 1HB ARG 76 -10.094 2.623 -8.627 630 1HG ARG 76 2HG ARG 76 -11.427 0.887 -7.130 631 2HG ARG 76 1HG ARG 76 -11.756 2.318 -6.152 632 1HD ARG 76 2HD ARG 76 -13.556 2.188 -7.747 633 2HD ARG 76 1HD ARG 76 -12.476 3.457 -8.351 634 HE ARG 76 HE ARG 76 -11.704 1.970 -10.057 635 1HH1 ARG 76 1HH2 ARG 76 -13.859 0.401 -7.817 636 2HH1 ARG 76 2HH2 ARG 76 -14.074 -0.990 -8.820 637 1HH2 ARG 76 1HH1 ARG 76 -11.984 0.153 -11.344 638 2HH2 ARG 76 2HH1 ARG 76 -13.018 -1.132 -10.814 639 H CYS 77 H CYS 77 -8.205 3.349 -8.807 640 HA CYS 77 HA CYS 77 -6.600 3.370 -10.534 641 1HB CYS 77 2HB CYS 77 -5.386 3.016 -8.205 642 2HB CYS 77 1HB CYS 77 -5.006 1.433 -8.884 643 H LEU 78 H LEU 78 -8.610 1.623 -11.208 644 HA LEU 78 HA LEU 78 -7.127 -0.708 -12.386 645 1HB LEU 78 2HB LEU 78 -9.246 -0.650 -10.481 646 2HB LEU 78 1HB LEU 78 -9.929 -1.248 -11.993 647 HG LEU 78 HG LEU 78 -7.820 -2.767 -12.089 648 1HD1 LEU 78 1HD1 LEU 78 -6.838 -3.301 -9.925 649 2HD1 LEU 78 2HD1 LEU 78 -7.918 -2.164 -9.118 650 3HD1 LEU 78 3HD1 LEU 78 -6.671 -1.569 -10.213 651 1HD2 LEU 78 1HD2 LEU 78 -10.184 -3.502 -11.643 652 2HD2 LEU 78 2HD2 LEU 78 -9.881 -3.274 -9.920 653 3HD2 LEU 78 3HD2 LEU 78 -8.975 -4.491 -10.821 654 H GLN 79 H GLN 79 -8.515 -1.639 -14.289 655 HA GLN 79 HA GLN 79 -9.589 0.662 -15.896 656 1HB GLN 79 2HB GLN 79 -7.934 -1.781 -16.493 657 2HB GLN 79 1HB GLN 79 -8.891 -1.046 -17.780 658 1HG GLN 79 2HG GLN 79 -7.752 1.053 -17.548 659 2HG GLN 79 1HG GLN 79 -6.972 0.536 -16.053 660 1HE2 GLN 79 1HE2 GLN 79 -7.261 -0.758 -19.429 661 2HE2 GLN 79 2HE2 GLN 79 -5.618 -1.165 -19.558 662 H TRP 80 H TRP 80 -10.997 -1.381 -14.015 663 HA TRP 80 HA TRP 80 -13.098 -2.191 -15.986 664 1HB TRP 80 2HB TRP 80 -11.763 -3.876 -13.840 665 2HB TRP 80 1HB TRP 80 -13.207 -4.374 -14.718 666 HD1 TRP 80 HD TRP 80 -9.495 -4.304 -14.960 667 HE1 TRP 80 1HE TRP 80 -8.734 -5.143 -17.275 668 HE3 TRP 80 3HE TRP 80 -13.979 -4.327 -17.407 669 HZ2 TRP 80 2HZ TRP 80 -9.877 -5.746 -19.827 670 HZ3 TRP 80 3HZ TRP 80 -14.113 -5.038 -19.777 671 HH2 TRP 80 HH TRP 80 -12.069 -5.747 -20.989 672 H THR 81 H THR 81 -14.990 -1.274 -15.294 673 HA THR 81 HA THR 81 -15.306 -0.546 -12.423 674 HB THR 81 HB THR 81 -17.222 0.067 -14.675 675 HG1 THR 81 1HG THR 81 -14.942 1.629 -14.079 676 1HG2 THR 81 1HG2 THR 81 -17.117 2.298 -13.259 677 2HG2 THR 81 2HG2 THR 81 -16.488 1.223 -12.011 678 3HG2 THR 81 3HG2 THR 81 -18.084 0.932 -12.705 679 H THR 82 H THR 82 -15.709 -2.746 -11.643 680 HA THR 82 HA THR 82 -18.453 -3.758 -12.332 681 HB THR 82 HB THR 82 -15.941 -5.358 -11.717 682 HG1 THR 82 1HG THR 82 -15.666 -4.710 -13.741 683 1HG2 THR 82 1HG2 THR 82 -17.397 -7.257 -12.556 684 2HG2 THR 82 2HG2 THR 82 -18.767 -6.150 -12.455 685 3HG2 THR 82 3HG2 THR 82 -17.876 -6.586 -10.997 686 H VAL 83 H VAL 83 -15.829 -4.074 -9.892 687 HA VAL 83 HA VAL 83 -17.901 -3.825 -7.746 688 HB VAL 83 HB VAL 83 -17.232 -6.207 -8.285 689 1HG1 VAL 83 1HG1 VAL 83 -14.760 -5.377 -8.676 690 2HG1 VAL 83 2HG1 VAL 83 -15.053 -6.978 -7.996 691 3HG1 VAL 83 3HG1 VAL 83 -14.610 -5.638 -6.939 692 1HG2 VAL 83 1HG2 VAL 83 -17.110 -6.865 -5.998 693 2HG2 VAL 83 2HG2 VAL 83 -17.993 -5.339 -5.994 694 3HG2 VAL 83 3HG2 VAL 83 -16.291 -5.374 -5.535 695 H ILE 84 H ILE 84 -16.913 -3.187 -5.629 696 HA ILE 84 HA ILE 84 -14.341 -1.674 -5.988 697 HB ILE 84 HB ILE 84 -15.375 -0.012 -4.414 698 1HG1 ILE 84 2HG1 ILE 84 -18.039 -1.309 -4.921 699 2HG1 ILE 84 1HG1 ILE 84 -17.039 -1.903 -3.595 700 1HG2 ILE 84 1HG2 ILE 84 -17.296 -0.394 -6.690 701 2HG2 ILE 84 2HG2 ILE 84 -15.600 -0.067 -7.037 702 3HG2 ILE 84 3HG2 ILE 84 -16.546 1.090 -6.102 703 1HD1 ILE 84 1HD1 ILE 84 -17.093 0.157 -2.463 704 2HD1 ILE 84 2HD1 ILE 84 -18.731 0.012 -3.099 705 3HD1 ILE 84 3HD1 ILE 84 -17.559 1.047 -3.913 706 H GLU 85 H GLU 85 -14.121 -4.257 -5.073 707 HA GLU 85 HA GLU 85 -14.147 -4.208 -2.100 708 1HB GLU 85 2HB GLU 85 -14.040 -6.205 -4.300 709 2HB GLU 85 1HB GLU 85 -13.173 -6.642 -2.826 710 1HG GLU 85 2HG GLU 85 -15.661 -5.521 -2.022 711 2HG GLU 85 1HG GLU 85 -16.006 -6.678 -3.308 712 H ARG 86 H ARG 86 -12.249 -2.443 -3.438 713 HA ARG 86 HA ARG 86 -9.622 -3.794 -2.970 714 1HB ARG 86 2HB ARG 86 -10.429 -1.214 -4.358 715 2HB ARG 86 1HB ARG 86 -8.774 -1.809 -4.239 716 1HG ARG 86 2HG ARG 86 -10.501 -3.908 -5.226 717 2HG ARG 86 1HG ARG 86 -10.685 -2.460 -6.216 718 1HD ARG 86 2HD ARG 86 -8.859 -3.654 -7.197 719 2HD ARG 86 1HD ARG 86 -8.093 -2.371 -6.239 720 HE ARG 86 HE ARG 86 -8.267 -4.332 -4.382 721 1HH1 ARG 86 1HH2 ARG 86 -7.231 -4.416 -7.703 722 2HH1 ARG 86 2HH2 ARG 86 -6.171 -5.759 -7.457 723 1HH2 ARG 86 1HH1 ARG 86 -6.890 -6.076 -4.076 724 2HH2 ARG 86 2HH1 ARG 86 -5.977 -6.698 -5.409 725 H THR 87 H THR 87 -10.909 -3.304 -0.616 726 HA THR 87 HA THR 87 -9.881 -0.687 0.409 727 HB THR 87 HB THR 87 -11.942 -2.674 1.432 728 HG1 THR 87 1HG THR 87 -13.094 -1.587 0.061 729 1HG2 THR 87 1HG2 THR 87 -10.818 -1.520 3.294 730 2HG2 THR 87 2HG2 THR 87 -12.476 -0.947 3.113 731 3HG2 THR 87 3HG2 THR 87 -11.136 0.037 2.525 732 H PHE 88 H PHE 88 -8.418 -0.671 2.153 733 HA PHE 88 HA PHE 88 -7.539 -3.328 3.214 734 1HB PHE 88 2HB PHE 88 -5.437 -2.987 2.422 735 2HB PHE 88 1HB PHE 88 -6.173 -1.779 1.380 736 HD1 PHE 88 1HD PHE 88 -5.440 0.447 1.490 737 HD2 PHE 88 2HD PHE 88 -4.693 -2.187 4.800 738 HE1 PHE 88 1HE PHE 88 -4.053 2.195 2.570 739 HE2 PHE 88 2HE PHE 88 -3.314 -0.437 5.880 740 HZ PHE 88 HZ PHE 88 -2.989 1.752 4.768 741 H HIS 89 H HIS 89 -7.069 -3.346 5.413 742 HA HIS 89 HA HIS 89 -7.790 -0.875 6.934 743 1HB HIS 89 2HB HIS 89 -7.683 -3.833 7.585 744 2HB HIS 89 1HB HIS 89 -8.019 -2.598 8.794 745 HD1 HIS 89 1HD HIS 89 -10.429 -3.712 9.030 746 HD2 HIS 89 2HD HIS 89 -9.666 -1.940 5.337 747 HE1 HIS 89 1HE HIS 89 -12.667 -3.462 7.881 748 H VAL 90 H VAL 90 -6.454 -0.254 8.759 749 HA VAL 90 HA VAL 90 -3.584 -1.030 8.429 750 HB VAL 90 HB VAL 90 -3.204 1.106 9.686 751 1HG1 VAL 90 1HG1 VAL 90 -4.884 1.093 7.175 752 2HG1 VAL 90 2HG1 VAL 90 -3.142 1.319 7.325 753 3HG1 VAL 90 3HG1 VAL 90 -4.245 2.590 7.850 754 1HG2 VAL 90 1HG2 VAL 90 -4.905 2.312 10.616 755 2HG2 VAL 90 2HG2 VAL 90 -5.766 0.775 10.583 756 3HG2 VAL 90 3HG2 VAL 90 -6.016 1.953 9.295 757 H ASP 91 H ASP 91 -2.299 -1.305 10.429 758 HA ASP 91 HA ASP 91 -3.514 -3.100 12.322 759 1HB ASP 91 2HB ASP 91 -1.119 -3.026 11.593 760 2HB ASP 91 1HB ASP 91 -0.927 -1.520 12.488 761 H SER 92 H SER 92 -2.809 0.392 12.434 762 HA SER 92 HA SER 92 -4.464 0.587 14.913 763 1HB SER 92 2HB SER 92 -1.670 0.613 14.859 764 2HB SER 92 1HB SER 92 -2.106 2.318 14.936 765 HG SER 92 HG SER 92 -2.460 0.281 16.781 766 HA PRO 93 HA PRO 93 -6.066 4.231 13.022 767 1HB PRO 93 2HB PRO 93 -6.318 5.951 15.151 768 2HB PRO 93 1HB PRO 93 -7.406 4.575 14.879 769 1HG PRO 93 2HG PRO 93 -5.061 4.797 16.709 770 2HG PRO 93 1HG PRO 93 -6.644 4.053 16.991 771 1HD PRO 93 2HD PRO 93 -4.452 2.591 16.415 772 2HD PRO 93 1HD PRO 93 -6.080 2.109 15.886 773 H ASP 94 H ASP 94 -3.411 4.862 15.332 774 HA ASP 94 HA ASP 94 -2.520 7.356 14.231 775 1HB ASP 94 2HB ASP 94 -1.513 5.182 16.006 776 2HB ASP 94 1HB ASP 94 -0.280 6.212 15.281 777 H GLU 95 H GLU 95 -1.878 3.968 13.395 778 HA GLU 95 HA GLU 95 0.290 4.383 11.551 779 1HB GLU 95 2HB GLU 95 -0.970 2.262 12.692 780 2HB GLU 95 1HB GLU 95 -1.704 2.215 11.091 781 1HG GLU 95 2HG GLU 95 0.684 2.388 10.163 782 2HG GLU 95 1HG GLU 95 1.228 2.027 11.802 783 H ARG 96 H ARG 96 -3.259 4.152 11.075 784 HA ARG 96 HA ARG 96 -3.353 4.424 8.250 785 1HB ARG 96 2HB ARG 96 -5.231 3.864 9.796 786 2HB ARG 96 1HB ARG 96 -5.241 5.534 10.353 787 1HG ARG 96 2HG ARG 96 -5.418 5.066 7.410 788 2HG ARG 96 1HG ARG 96 -6.846 4.699 8.378 789 1HD ARG 96 2HD ARG 96 -5.722 7.223 9.233 790 2HD ARG 96 1HD ARG 96 -6.021 7.253 7.485 791 HE ARG 96 HE ARG 96 -8.314 6.121 8.307 792 1HH1 ARG 96 1HH2 ARG 96 -6.528 8.775 9.689 793 2HH1 ARG 96 2HH2 ARG 96 -7.939 9.543 10.327 794 1HH2 ARG 96 1HH1 ARG 96 -10.142 7.129 9.154 795 2HH2 ARG 96 2HH1 ARG 96 -9.978 8.614 10.031 796 H GLU 97 H GLU 97 -3.417 6.973 10.764 797 HA GLU 97 HA GLU 97 -3.566 9.234 9.025 798 1HB GLU 97 2HB GLU 97 -3.803 8.963 11.600 799 2HB GLU 97 1HB GLU 97 -2.046 9.119 11.637 800 1HG GLU 97 2HG GLU 97 -2.771 11.208 9.995 801 2HG GLU 97 1HG GLU 97 -4.098 11.172 11.157 802 H GLU 98 H GLU 98 -0.797 7.353 10.224 803 HA GLU 98 HA GLU 98 1.282 9.046 9.156 804 1HB GLU 98 2HB GLU 98 1.556 7.362 10.956 805 2HB GLU 98 1HB GLU 98 1.200 6.076 9.805 806 1HG GLU 98 2HG GLU 98 3.620 6.266 10.087 807 2HG GLU 98 1HG GLU 98 3.179 6.773 8.459 808 H TRP 99 H TRP 99 -0.433 6.170 7.887 809 HA TRP 99 HA TRP 99 1.075 5.802 5.487 810 1HB TRP 99 2HB TRP 99 -1.827 5.307 6.216 811 2HB TRP 99 1HB TRP 99 -1.108 4.738 4.713 812 HD1 TRP 99 HD TRP 99 -1.997 3.384 7.823 813 HE1 TRP 99 1HE TRP 99 -0.488 1.447 8.574 814 HE3 TRP 99 3HE TRP 99 1.991 4.114 4.710 815 HZ2 TRP 99 2HZ TRP 99 2.065 0.341 7.943 816 HZ3 TRP 99 3HZ TRP 99 3.951 2.596 4.814 817 HH2 TRP 99 HH TRP 99 3.990 0.713 6.423 818 H MET 100 H MET 100 -1.885 7.736 6.095 819 HA MET 100 HA MET 100 -2.310 8.704 3.457 820 1HB MET 100 2HB MET 100 -3.421 8.995 5.981 821 2HB MET 100 1HB MET 100 -2.830 10.619 5.632 822 1HG MET 100 2HG MET 100 -4.385 9.095 3.552 823 2HG MET 100 1HG MET 100 -5.229 9.961 4.836 824 1HE MET 100 1HE MET 100 -3.622 11.540 1.011 825 2HE MET 100 2HE MET 100 -4.763 10.257 1.406 826 3HE MET 100 3HE MET 100 -3.049 10.035 1.743 827 H ARG 101 H ARG 101 -0.312 10.068 6.097 828 HA ARG 101 HA ARG 101 0.546 12.429 4.711 829 1HB ARG 101 2HB ARG 101 0.741 11.515 7.210 830 2HB ARG 101 1HB ARG 101 2.320 10.976 6.640 831 1HG ARG 101 2HG ARG 101 3.137 13.093 6.519 832 2HG ARG 101 1HG ARG 101 1.628 13.740 5.873 833 1HD ARG 101 2HD ARG 101 1.815 14.720 8.034 834 2HD ARG 101 1HD ARG 101 0.688 13.374 8.271 835 HE ARG 101 HE ARG 101 3.591 13.324 8.986 836 1HH1 ARG 101 1HH2 ARG 101 0.400 11.903 9.104 837 2HH1 ARG 101 2HH2 ARG 101 0.833 10.775 10.337 838 1HH2 ARG 101 1HH1 ARG 101 4.122 11.832 10.576 839 2HH2 ARG 101 2HH1 ARG 101 2.926 10.720 11.155 840 H ALA 102 H ALA 102 1.933 9.145 4.910 841 HA ALA 102 HA ALA 102 4.338 9.663 3.431 842 1HB ALA 102 1HB ALA 102 3.537 7.653 4.895 843 2HB ALA 102 2HB ALA 102 4.561 7.316 3.500 844 3HB ALA 102 3HB ALA 102 2.820 7.057 3.397 845 H ILE 103 H ILE 103 1.117 8.494 2.378 846 HA ILE 103 HA ILE 103 1.713 8.079 -0.379 847 HB ILE 103 HB ILE 103 -0.821 8.970 1.051 848 1HG1 ILE 103 2HG1 ILE 103 -0.273 6.210 -0.007 849 2HG1 ILE 103 1HG1 ILE 103 0.444 6.696 1.530 850 1HG2 ILE 103 1HG2 ILE 103 -0.938 9.442 -1.379 851 2HG2 ILE 103 2HG2 ILE 103 -2.017 8.120 -0.932 852 3HG2 ILE 103 3HG2 ILE 103 -0.478 7.773 -1.721 853 1HD1 ILE 103 1HD1 ILE 103 -1.785 7.286 2.395 854 2HD1 ILE 103 2HD1 ILE 103 -1.746 5.602 1.875 855 3HD1 ILE 103 3HD1 ILE 103 -2.513 6.821 0.856 856 H GLN 104 H GLN 104 0.621 11.018 1.343 857 HA GLN 104 HA GLN 104 0.425 12.706 -0.986 858 1HB GLN 104 2HB GLN 104 -0.163 12.834 1.719 859 2HB GLN 104 1HB GLN 104 1.164 13.985 1.561 860 1HG GLN 104 2HG GLN 104 -1.241 13.988 -0.279 861 2HG GLN 104 1HG GLN 104 -1.158 14.955 1.194 862 1HE2 GLN 104 1HE2 GLN 104 -0.387 14.978 -2.131 863 2HE2 GLN 104 2HE2 GLN 104 0.678 16.301 -2.118 864 H MET 105 H MET 105 3.067 12.103 1.350 865 HA MET 105 HA MET 105 4.938 14.034 0.413 866 1HB MET 105 2HB MET 105 5.042 11.368 1.804 867 2HB MET 105 1HB MET 105 6.552 12.128 1.302 868 1HG MET 105 2HG MET 105 5.741 14.233 2.490 869 2HG MET 105 1HG MET 105 4.459 13.238 3.184 870 1HE MET 105 1HE MET 105 7.986 14.113 5.334 871 2HE MET 105 2HE MET 105 6.390 14.799 5.045 872 3HE MET 105 3HE MET 105 7.588 14.799 3.753 873 H VAL 106 H VAL 106 4.380 10.661 -0.634 874 HA VAL 106 HA VAL 106 6.486 10.588 -2.606 875 HB VAL 106 HB VAL 106 3.880 9.052 -2.292 876 1HG1 VAL 106 1HG1 VAL 106 4.428 8.410 -4.428 877 2HG1 VAL 106 2HG1 VAL 106 5.529 7.337 -3.564 878 3HG1 VAL 106 3HG1 VAL 106 6.124 8.853 -4.237 879 1HG2 VAL 106 1HG2 VAL 106 4.929 7.960 -0.623 880 2HG2 VAL 106 2HG2 VAL 106 6.284 9.078 -0.772 881 3HG2 VAL 106 3HG2 VAL 106 6.277 7.574 -1.693 882 H ALA 107 H ALA 107 3.058 11.544 -2.723 883 HA ALA 107 HA ALA 107 2.807 11.789 -5.571 884 1HB ALA 107 1HB ALA 107 0.800 13.027 -4.990 885 2HB ALA 107 2HB ALA 107 1.432 13.375 -3.380 886 3HB ALA 107 3HB ALA 107 0.993 11.723 -3.819 887 H ASN 108 H ASN 108 3.869 14.090 -3.054 888 HA ASN 108 HA ASN 108 4.041 16.430 -4.699 889 1HB ASN 108 2HB ASN 108 5.575 15.507 -2.245 890 2HB ASN 108 1HB ASN 108 5.628 17.153 -2.877 891 1HD2 ASN 108 1HD2 ASN 108 4.481 16.127 -0.258 892 2HD2 ASN 108 2HD2 ASN 108 2.870 16.659 -0.250 893 H SER 109 H SER 109 6.239 13.698 -4.221 894 HA SER 109 HA SER 109 8.409 14.979 -5.776 895 1HB SER 109 2HB SER 109 8.075 12.215 -4.564 896 2HB SER 109 1HB SER 109 9.575 12.868 -5.215 897 HG SER 109 HG SER 109 8.267 13.401 -2.835 898 H LEU 110 H LEU 110 5.790 12.679 -6.223 899 HA LEU 110 HA LEU 110 6.762 11.460 -8.671 900 1HB LEU 110 2HB LEU 110 4.445 11.413 -6.891 901 2HB LEU 110 1HB LEU 110 3.966 11.299 -8.582 902 HG LEU 110 HG LEU 110 5.518 9.417 -8.912 903 1HD1 LEU 110 1HD1 LEU 110 7.088 10.266 -7.044 904 2HD1 LEU 110 2HD1 LEU 110 6.854 8.523 -7.164 905 3HD1 LEU 110 3HD1 LEU 110 5.998 9.445 -5.929 906 1HD2 LEU 110 1HD2 LEU 110 4.287 7.770 -7.614 907 2HD2 LEU 110 2HD2 LEU 110 3.170 9.044 -8.103 908 3HD2 LEU 110 3HD2 LEU 110 3.790 9.000 -6.453 909 H LYS 111 H LYS 111 4.399 14.070 -7.980 910 HA LYS 111 HA LYS 111 4.712 14.975 -10.828 911 1HB LYS 111 2HB LYS 111 2.242 14.750 -9.076 912 2HB LYS 111 1HB LYS 111 2.259 15.566 -10.640 913 1HG LYS 111 2HG LYS 111 3.257 13.345 -11.548 914 2HG LYS 111 1HG LYS 111 2.664 12.637 -10.045 915 1HD LYS 111 2HD LYS 111 0.781 14.352 -11.609 916 2HD LYS 111 1HD LYS 111 1.134 12.740 -12.233 917 1HE LYS 111 2HE LYS 111 0.207 11.666 -10.363 918 2HE LYS 111 1HE LYS 111 0.403 13.093 -9.327 919 1HZ LYS 111 1HZ LYS 111 -1.307 13.163 -11.744 920 2HZ LYS 111 2HZ LYS 111 -1.317 14.215 -10.409 921 3HZ LYS 111 3HZ LYS 111 -1.919 12.634 -10.253 Start of MODEL 5 1 1H MET 1 1H MET 1 20.606 5.918 -13.141 2 2H MET 1 2H MET 1 21.087 7.543 -13.025 3 3H MET 1 3H MET 1 19.462 7.114 -12.776 4 HA MET 1 HA MET 1 21.774 6.435 -11.023 5 1HB MET 1 2HB MET 1 19.542 8.423 -11.088 6 2HB MET 1 1HB MET 1 19.989 7.765 -9.514 7 1HG MET 1 2HG MET 1 21.583 9.380 -9.510 8 2HG MET 1 1HG MET 1 22.450 8.313 -10.614 9 1HE MET 1 1HE MET 1 23.117 10.428 -13.430 10 2HE MET 1 2HE MET 1 23.263 8.870 -12.621 11 3HE MET 1 3HE MET 1 23.793 10.336 -11.798 12 H ASN 2 H ASN 2 18.178 6.376 -11.137 13 HA ASN 2 HA ASN 2 16.635 4.788 -10.329 14 1HB ASN 2 2HB ASN 2 19.016 2.997 -10.937 15 2HB ASN 2 1HB ASN 2 17.362 2.434 -10.701 16 1HD2 ASN 2 1HD2 ASN 2 19.524 3.219 -13.122 17 2HD2 ASN 2 2HD2 ASN 2 18.424 3.641 -14.343 18 H GLU 3 H GLU 3 17.970 6.187 -8.295 19 HA GLU 3 HA GLU 3 18.664 4.105 -6.259 20 1HB GLU 3 2HB GLU 3 19.384 6.955 -6.804 21 2HB GLU 3 1HB GLU 3 19.353 6.440 -5.118 22 1HG GLU 3 2HG GLU 3 21.143 5.029 -5.368 23 2HG GLU 3 1HG GLU 3 20.722 4.620 -7.031 24 H VAL 4 H VAL 4 16.519 3.521 -5.619 25 HA VAL 4 HA VAL 4 14.868 5.728 -4.422 26 HB VAL 4 HB VAL 4 14.167 3.038 -5.641 27 1HG1 VAL 4 1HG1 VAL 4 11.818 3.608 -5.173 28 2HG1 VAL 4 2HG1 VAL 4 12.330 5.080 -4.349 29 3HG1 VAL 4 3HG1 VAL 4 12.736 3.504 -3.671 30 1HG2 VAL 4 1HG2 VAL 4 12.971 4.406 -7.288 31 2HG2 VAL 4 2HG2 VAL 4 14.658 4.913 -7.210 32 3HG2 VAL 4 3HG2 VAL 4 13.412 5.876 -6.417 33 H SER 5 H SER 5 14.494 5.604 -2.234 34 HA SER 5 HA SER 5 15.340 3.106 -0.800 35 1HB SER 5 2HB SER 5 15.378 6.055 -0.145 36 2HB SER 5 1HB SER 5 15.513 4.842 1.125 37 HG SER 5 HG SER 5 17.570 5.161 0.521 38 H VAL 6 H VAL 6 14.064 2.846 1.353 39 HA VAL 6 HA VAL 6 11.197 2.909 0.736 40 HB VAL 6 HB VAL 6 12.887 1.969 3.069 41 1HG1 VAL 6 1HG1 VAL 6 10.948 2.355 4.253 42 2HG1 VAL 6 2HG1 VAL 6 10.512 0.802 3.542 43 3HG1 VAL 6 3HG1 VAL 6 9.931 2.298 2.813 44 1HG2 VAL 6 1HG2 VAL 6 13.079 0.501 1.205 45 2HG2 VAL 6 2HG2 VAL 6 11.367 0.651 0.810 46 3HG2 VAL 6 3HG2 VAL 6 11.866 -0.247 2.244 47 H ILE 7 H ILE 7 9.684 4.301 1.601 48 HA ILE 7 HA ILE 7 10.718 6.621 3.173 49 HB ILE 7 HB ILE 7 8.251 6.107 1.484 50 1HG1 ILE 7 2HG1 ILE 7 10.253 6.444 0.159 51 2HG1 ILE 7 1HG1 ILE 7 9.291 7.917 0.077 52 1HG2 ILE 7 1HG2 ILE 7 7.452 7.606 3.102 53 2HG2 ILE 7 2HG2 ILE 7 8.003 8.673 1.811 54 3HG2 ILE 7 3HG2 ILE 7 9.004 8.432 3.244 55 1HD1 ILE 7 1HD1 ILE 7 11.884 7.420 1.491 56 2HD1 ILE 7 2HD1 ILE 7 10.767 8.602 2.173 57 3HD1 ILE 7 3HD1 ILE 7 11.381 8.812 0.533 58 H LYS 8 H LYS 8 8.049 4.229 3.160 59 HA LYS 8 HA LYS 8 7.734 4.708 6.104 60 1HB LYS 8 2HB LYS 8 6.033 5.648 4.170 61 2HB LYS 8 1HB LYS 8 5.297 4.091 4.545 62 1HG LYS 8 2HG LYS 8 4.289 5.550 6.098 63 2HG LYS 8 1HG LYS 8 5.581 4.797 7.031 64 1HD LYS 8 2HD LYS 8 6.747 6.742 7.222 65 2HD LYS 8 1HD LYS 8 6.404 7.220 5.560 66 1HE LYS 8 2HE LYS 8 4.657 8.526 6.204 67 2HE LYS 8 1HE LYS 8 4.000 7.250 7.245 68 1HZ LYS 8 1HZ LYS 8 5.499 7.791 8.963 69 2HZ LYS 8 2HZ LYS 8 4.880 9.281 8.430 70 3HZ LYS 8 3HZ LYS 8 6.435 8.789 7.957 71 H GLU 9 H GLU 9 7.466 2.826 7.293 72 HA GLU 9 HA GLU 9 6.994 0.258 5.804 73 1HB GLU 9 2HB GLU 9 9.041 0.903 7.954 74 2HB GLU 9 1HB GLU 9 8.735 -0.717 7.332 75 1HG GLU 9 2HG GLU 9 9.120 0.532 4.992 76 2HG GLU 9 1HG GLU 9 10.081 1.597 6.014 77 H GLY 10 H GLY 10 5.362 -0.949 6.757 78 1HA GLY 10 2HA GLY 10 4.964 -1.016 9.637 79 2HA GLY 10 1HA GLY 10 3.727 -0.053 8.835 80 H TRP 11 H TRP 11 2.737 -2.178 10.104 81 HA TRP 11 HA TRP 11 2.491 -4.404 8.113 82 1HB TRP 11 2HB TRP 11 2.060 -4.090 11.085 83 2HB TRP 11 1HB TRP 11 1.360 -5.457 10.219 84 HD1 TRP 11 HD TRP 11 4.754 -3.864 11.043 85 HE1 TRP 11 1HE TRP 11 6.584 -5.662 10.809 86 HE3 TRP 11 3HE TRP 11 1.974 -7.717 9.162 87 HZ2 TRP 11 2HZ TRP 11 6.837 -8.372 9.945 88 HZ3 TRP 11 3HZ TRP 11 3.039 -9.895 8.640 89 HH2 TRP 11 HH TRP 11 5.470 -10.224 9.031 90 H LEU 12 H LEU 12 0.461 -4.865 7.203 91 HA LEU 12 HA LEU 12 -1.867 -3.203 8.110 92 1HB LEU 12 2HB LEU 12 -0.941 -3.709 5.262 93 2HB LEU 12 1HB LEU 12 -2.353 -2.764 5.730 94 HG LEU 12 HG LEU 12 0.503 -2.120 6.529 95 1HD1 LEU 12 1HD1 LEU 12 -0.586 -1.799 4.038 96 2HD1 LEU 12 2HD1 LEU 12 0.677 -0.768 4.711 97 3HD1 LEU 12 3HD1 LEU 12 -1.011 -0.268 4.801 98 1HD2 LEU 12 1HD2 LEU 12 -1.502 -0.004 6.685 99 2HD2 LEU 12 2HD2 LEU 12 -0.366 -0.560 7.914 100 3HD2 LEU 12 3HD2 LEU 12 -1.915 -1.375 7.712 101 H HIS 13 H HIS 13 -3.971 -4.089 7.318 102 HA HIS 13 HA HIS 13 -3.906 -7.078 7.226 103 1HB HIS 13 2HB HIS 13 -5.647 -4.954 8.344 104 2HB HIS 13 1HB HIS 13 -6.505 -6.333 7.658 105 HD1 HIS 13 1HD HIS 13 -6.659 -8.373 9.111 106 HD2 HIS 13 2HD HIS 13 -3.598 -5.818 10.339 107 HE1 HIS 13 1HE HIS 13 -5.715 -9.357 11.246 108 H LYS 14 H LYS 14 -4.422 -8.055 5.313 109 HA LYS 14 HA LYS 14 -5.828 -6.431 3.216 110 1HB LYS 14 2HB LYS 14 -3.335 -7.738 3.252 111 2HB LYS 14 1HB LYS 14 -4.378 -8.775 2.280 112 1HG LYS 14 2HG LYS 14 -4.738 -5.934 1.665 113 2HG LYS 14 1HG LYS 14 -3.085 -6.481 1.387 114 1HD LYS 14 2HD LYS 14 -5.041 -8.422 0.427 115 2HD LYS 14 1HD LYS 14 -5.250 -6.847 -0.338 116 1HE LYS 14 2HE LYS 14 -2.885 -6.815 -1.003 117 2HE LYS 14 1HE LYS 14 -2.615 -8.363 -0.177 118 1HZ LYS 14 1HZ LYS 14 -4.516 -9.233 -1.575 119 2HZ LYS 14 2HZ LYS 14 -3.071 -8.913 -2.411 120 3HZ LYS 14 3HZ LYS 14 -4.371 -7.823 -2.508 121 H ARG 15 H ARG 15 -7.773 -7.234 2.523 122 HA ARG 15 HA ARG 15 -9.000 -9.528 3.772 123 1HB ARG 15 2HB ARG 15 -10.133 -7.473 2.895 124 2HB ARG 15 1HB ARG 15 -9.776 -8.019 1.259 125 1HG ARG 15 2HG ARG 15 -11.546 -9.410 1.272 126 2HG ARG 15 1HG ARG 15 -11.011 -10.150 2.781 127 1HD ARG 15 2HD ARG 15 -13.142 -9.180 3.286 128 2HD ARG 15 1HD ARG 15 -11.957 -8.042 3.942 129 HE ARG 15 HE ARG 15 -12.445 -6.530 2.156 130 1HH1 ARG 15 1HH2 ARG 15 -13.948 -9.632 1.701 131 2HH1 ARG 15 2HH2 ARG 15 -15.029 -9.058 0.480 132 1HH2 ARG 15 1HH1 ARG 15 -13.856 -5.794 0.560 133 2HH2 ARG 15 2HH1 ARG 15 -14.974 -6.893 -0.174 134 H GLY 16 H GLY 16 -9.408 -11.599 2.914 135 1HA GLY 16 2HA GLY 16 -7.582 -12.458 0.755 136 2HA GLY 16 1HA GLY 16 -8.504 -13.522 1.816 137 H GLU 17 H GLU 17 -11.047 -13.077 1.501 138 HA GLU 17 HA GLU 17 -11.575 -12.956 -1.453 139 1HB GLU 17 2HB GLU 17 -11.608 -15.178 0.216 140 2HB GLU 17 1HB GLU 17 -13.309 -14.720 0.124 141 1HG GLU 17 2HG GLU 17 -13.107 -14.650 -2.370 142 2HG GLU 17 1HG GLU 17 -11.456 -15.251 -2.216 143 H TYR 18 H TYR 18 -14.354 -13.315 -1.285 144 HA TYR 18 HA TYR 18 -15.324 -10.690 -0.782 145 1HB TYR 18 2HB TYR 18 -17.479 -11.668 -1.272 146 2HB TYR 18 1HB TYR 18 -16.285 -12.494 -2.269 147 HD1 TYR 18 1HD TYR 18 -15.692 -14.823 -1.863 148 HD2 TYR 18 2HD TYR 18 -18.495 -12.787 0.679 149 HE1 TYR 18 1HE TYR 18 -16.384 -16.992 -0.886 150 HE2 TYR 18 2HE TYR 18 -19.183 -14.959 1.657 151 HH TYR 18 HH TYR 18 -17.430 -17.750 1.354 152 H ILE 19 H ILE 19 -15.017 -13.449 1.398 153 HA ILE 19 HA ILE 19 -16.884 -12.646 3.415 154 HB ILE 19 HB ILE 19 -15.729 -14.865 3.160 155 1HG1 ILE 19 2HG1 ILE 19 -15.184 -15.093 5.667 156 2HG1 ILE 19 1HG1 ILE 19 -15.587 -13.380 5.791 157 1HG2 ILE 19 1HG2 ILE 19 -13.440 -15.087 4.083 158 2HG2 ILE 19 2HG2 ILE 19 -13.362 -13.338 4.290 159 3HG2 ILE 19 3HG2 ILE 19 -13.470 -14.030 2.672 160 1HD1 ILE 19 1HD1 ILE 19 -17.421 -15.530 4.683 161 2HD1 ILE 19 2HD1 ILE 19 -17.820 -13.821 4.862 162 3HD1 ILE 19 3HD1 ILE 19 -17.545 -14.817 6.291 163 H LYS 20 H LYS 20 -16.526 -11.423 5.365 164 HA LYS 20 HA LYS 20 -14.700 -9.169 5.078 165 1HB LYS 20 2HB LYS 20 -15.743 -8.484 7.222 166 2HB LYS 20 1HB LYS 20 -16.956 -8.993 6.052 167 1HG LYS 20 2HG LYS 20 -16.134 -11.314 7.502 168 2HG LYS 20 1HG LYS 20 -16.471 -10.041 8.675 169 1HD LYS 20 2HD LYS 20 -18.587 -9.699 7.020 170 2HD LYS 20 1HD LYS 20 -18.320 -11.429 6.806 171 1HE LYS 20 2HE LYS 20 -18.285 -10.371 9.609 172 2HE LYS 20 1HE LYS 20 -19.856 -10.517 8.797 173 1HZ LYS 20 1HZ LYS 20 -18.994 -12.579 9.974 174 2HZ LYS 20 2HZ LYS 20 -17.847 -12.695 8.729 175 3HZ LYS 20 3HZ LYS 20 -19.507 -12.782 8.371 176 H THR 21 H THR 21 -12.935 -11.180 5.027 177 HA THR 21 HA THR 21 -11.794 -11.349 7.800 178 HB THR 21 HB THR 21 -11.240 -13.196 5.472 179 HG1 THR 21 1HG THR 21 -13.138 -13.608 7.537 180 1HG2 THR 21 1HG2 THR 21 -10.613 -14.756 7.288 181 2HG2 THR 21 2HG2 THR 21 -10.988 -13.506 8.475 182 3HG2 THR 21 3HG2 THR 21 -9.657 -13.275 7.341 183 H TRP 22 H TRP 22 -9.844 -10.359 8.045 184 HA TRP 22 HA TRP 22 -8.305 -9.586 5.588 185 1HB TRP 22 2HB TRP 22 -8.652 -8.168 8.256 186 2HB TRP 22 1HB TRP 22 -7.653 -7.584 6.927 187 HD1 TRP 22 HD TRP 22 -11.324 -8.345 7.770 188 HE1 TRP 22 1HE TRP 22 -12.827 -6.928 6.239 189 HE3 TRP 22 3HE TRP 22 -7.779 -6.233 4.770 190 HZ2 TRP 22 2HZ TRP 22 -12.566 -5.134 4.028 191 HZ3 TRP 22 3HZ TRP 22 -8.434 -4.679 2.959 192 HH2 TRP 22 HH TRP 22 -10.820 -4.123 2.584 193 H ARG 23 H ARG 23 -6.217 -10.325 5.529 194 HA ARG 23 HA ARG 23 -5.137 -11.714 7.939 195 1HB ARG 23 2HB ARG 23 -5.433 -12.736 5.581 196 2HB ARG 23 1HB ARG 23 -4.054 -11.739 5.118 197 1HG ARG 23 2HG ARG 23 -2.581 -12.877 6.542 198 2HG ARG 23 1HG ARG 23 -3.885 -13.489 7.558 199 1HD ARG 23 2HD ARG 23 -3.409 -15.415 6.347 200 2HD ARG 23 1HD ARG 23 -4.594 -14.680 5.250 201 HE ARG 23 HE ARG 23 -2.255 -13.499 4.444 202 1HH1 ARG 23 1HH2 ARG 23 -3.177 -16.804 5.033 203 2HH1 ARG 23 2HH2 ARG 23 -2.073 -17.445 3.867 204 1HH2 ARG 23 1HH1 ARG 23 -0.822 -14.348 2.921 205 2HH2 ARG 23 2HH1 ARG 23 -0.747 -16.060 2.672 206 HA PRO 24 HA PRO 24 -2.338 -8.337 8.562 207 1HB PRO 24 2HB PRO 24 -0.562 -9.627 10.207 208 2HB PRO 24 1HB PRO 24 -2.152 -9.049 10.748 209 1HG PRO 24 2HG PRO 24 -1.307 -11.795 9.953 210 2HG PRO 24 1HG PRO 24 -2.359 -11.279 11.282 211 1HD PRO 24 2HD PRO 24 -3.320 -12.291 8.962 212 2HD PRO 24 1HD PRO 24 -4.203 -11.083 9.924 213 H ARG 25 H ARG 25 -0.828 -7.673 7.135 214 HA ARG 25 HA ARG 25 1.345 -9.530 6.252 215 1HB ARG 25 2HB ARG 25 -0.732 -8.045 4.655 216 2HB ARG 25 1HB ARG 25 0.861 -8.325 3.947 217 1HG ARG 25 2HG ARG 25 0.633 -10.743 4.364 218 2HG ARG 25 1HG ARG 25 -0.953 -10.475 5.084 219 1HD ARG 25 2HD ARG 25 -0.710 -9.267 2.415 220 2HD ARG 25 1HD ARG 25 -0.506 -11.027 2.412 221 HE ARG 25 HE ARG 25 -2.785 -9.850 3.932 222 1HH1 ARG 25 1HH2 ARG 25 -1.583 -11.811 1.302 223 2HH1 ARG 25 2HH2 ARG 25 -3.124 -12.520 0.983 224 1HH2 ARG 25 1HH1 ARG 25 -4.776 -10.783 3.483 225 2HH2 ARG 25 2HH1 ARG 25 -4.923 -11.943 2.206 226 H TYR 26 H TYR 26 3.333 -8.415 5.932 227 HA TYR 26 HA TYR 26 3.541 -5.741 7.085 228 1HB TYR 26 2HB TYR 26 5.313 -7.350 7.417 229 2HB TYR 26 1HB TYR 26 5.461 -7.627 5.682 230 HD1 TYR 26 1HD TYR 26 6.941 -6.337 4.393 231 HD2 TYR 26 2HD TYR 26 5.744 -4.947 8.275 232 HE1 TYR 26 1HE TYR 26 8.552 -4.461 4.220 233 HE2 TYR 26 2HE TYR 26 7.357 -3.075 8.104 234 HH TYR 26 HH TYR 26 9.832 -2.972 5.982 235 H PHE 27 H PHE 27 3.477 -3.812 5.960 236 HA PHE 27 HA PHE 27 3.730 -3.922 2.967 237 1HB PHE 27 2HB PHE 27 1.623 -2.909 4.795 238 2HB PHE 27 1HB PHE 27 2.012 -1.859 3.435 239 HD1 PHE 27 1HD PHE 27 1.074 -5.365 4.316 240 HD2 PHE 27 2HD PHE 27 1.249 -2.360 1.251 241 HE1 PHE 27 1HE PHE 27 -0.243 -6.828 2.807 242 HE2 PHE 27 2HE PHE 27 -0.066 -3.824 -0.258 243 HZ PHE 27 HZ PHE 27 -0.812 -6.059 0.519 244 H LEU 28 H LEU 28 4.952 -2.242 2.047 245 HA LEU 28 HA LEU 28 5.741 0.016 3.813 246 1HB LEU 28 2HB LEU 28 8.061 -0.398 3.637 247 2HB LEU 28 1HB LEU 28 7.356 -1.969 3.962 248 HG LEU 28 HG LEU 28 9.022 -2.262 2.265 249 1HD1 LEU 28 1HD1 LEU 28 6.673 -3.325 1.973 250 2HD1 LEU 28 2HD1 LEU 28 7.810 -3.390 0.627 251 3HD1 LEU 28 3HD1 LEU 28 6.510 -2.202 0.624 252 1HD2 LEU 28 1HD2 LEU 28 9.528 -0.748 0.675 253 2HD2 LEU 28 2HD2 LEU 28 8.439 0.342 1.530 254 3HD2 LEU 28 3HD2 LEU 28 7.848 -0.600 0.162 255 H LEU 29 H LEU 29 6.299 1.907 2.740 256 HA LEU 29 HA LEU 29 5.655 1.960 -0.194 257 1HB LEU 29 2HB LEU 29 4.202 3.163 1.499 258 2HB LEU 29 1HB LEU 29 5.589 4.187 1.869 259 HG LEU 29 HG LEU 29 4.910 3.927 -1.010 260 1HD1 LEU 29 1HD1 LEU 29 3.204 5.883 -0.536 261 2HD1 LEU 29 2HD1 LEU 29 3.061 5.107 1.042 262 3HD1 LEU 29 3HD1 LEU 29 2.672 4.206 -0.423 263 1HD2 LEU 29 1HD2 LEU 29 5.290 6.471 0.547 264 2HD2 LEU 29 2HD2 LEU 29 5.780 6.092 -1.104 265 3HD2 LEU 29 3HD2 LEU 29 6.678 5.422 0.257 266 H LYS 30 H LYS 30 7.288 2.614 -1.585 267 HA LYS 30 HA LYS 30 9.896 3.409 -0.403 268 1HB LYS 30 2HB LYS 30 8.874 2.326 -3.016 269 2HB LYS 30 1HB LYS 30 10.468 3.078 -2.952 270 1HG LYS 30 2HG LYS 30 10.172 1.304 -0.704 271 2HG LYS 30 1HG LYS 30 9.774 0.435 -2.187 272 1HD LYS 30 2HD LYS 30 12.199 2.184 -2.201 273 2HD LYS 30 1HD LYS 30 12.295 0.643 -1.349 274 1HE LYS 30 2HE LYS 30 11.096 0.641 -4.099 275 2HE LYS 30 1HE LYS 30 12.859 0.781 -3.952 276 1HZ LYS 30 1HZ LYS 30 11.229 -1.260 -2.529 277 2HZ LYS 30 2HZ LYS 30 12.924 -1.158 -2.584 278 3HZ LYS 30 3HZ LYS 30 12.050 -1.555 -3.983 279 H SER 31 H SER 31 11.155 5.030 -1.872 280 HA SER 31 HA SER 31 9.723 7.572 -1.875 281 1HB SER 31 2HB SER 31 12.303 6.741 -1.568 282 2HB SER 31 1HB SER 31 12.344 7.298 -3.238 283 HG SER 31 HG SER 31 12.756 8.905 -1.522 284 H ASP 32 H ASP 32 10.006 5.064 -4.194 285 HA ASP 32 HA ASP 32 9.847 6.829 -6.561 286 1HB ASP 32 2HB ASP 32 11.160 4.738 -6.539 287 2HB ASP 32 1HB ASP 32 9.704 3.819 -6.170 288 H GLY 33 H GLY 33 7.629 5.933 -4.248 289 1HA GLY 33 2HA GLY 33 5.284 6.211 -4.282 290 2HA GLY 33 1HA GLY 33 5.370 6.474 -6.025 291 H SER 34 H SER 34 6.639 3.711 -4.187 292 HA SER 34 HA SER 34 4.678 1.958 -5.632 293 1HB SER 34 2HB SER 34 6.735 0.322 -5.486 294 2HB SER 34 1HB SER 34 6.701 1.562 -6.734 295 HG SER 34 HG SER 34 8.491 2.237 -5.878 296 H PHE 35 H PHE 35 3.490 0.712 -4.263 297 HA PHE 35 HA PHE 35 4.395 0.440 -1.421 298 1HB PHE 35 2HB PHE 35 2.059 1.359 -2.551 299 2HB PHE 35 1HB PHE 35 1.652 -0.324 -2.229 300 HD1 PHE 35 1HD PHE 35 1.135 2.700 -0.885 301 HD2 PHE 35 2HD PHE 35 3.044 -0.990 0.210 302 HE1 PHE 35 1HE PHE 35 0.804 3.239 1.510 303 HE2 PHE 35 2HE PHE 35 2.715 -0.448 2.603 304 HZ PHE 35 HZ PHE 35 1.596 1.665 3.257 305 H ILE 36 H ILE 36 5.265 -1.568 -0.961 306 HA ILE 36 HA ILE 36 4.381 -3.888 -2.646 307 HB ILE 36 HB ILE 36 6.877 -3.510 -0.959 308 1HG1 ILE 36 2HG1 ILE 36 6.870 -1.914 -2.812 309 2HG1 ILE 36 1HG1 ILE 36 8.010 -3.210 -3.171 310 1HG2 ILE 36 1HG2 ILE 36 6.327 -5.860 -1.289 311 2HG2 ILE 36 2HG2 ILE 36 7.700 -5.441 -2.313 312 3HG2 ILE 36 3HG2 ILE 36 6.089 -5.593 -3.016 313 1HD1 ILE 36 1HD1 ILE 36 6.024 -4.337 -4.403 314 2HD1 ILE 36 2HD1 ILE 36 6.803 -2.962 -5.184 315 3HD1 ILE 36 3HD1 ILE 36 5.269 -2.744 -4.342 316 H GLY 37 H GLY 37 3.337 -5.560 -1.675 317 1HA GLY 37 2HA GLY 37 2.931 -5.435 1.270 318 2HA GLY 37 1HA GLY 37 1.892 -6.292 0.132 319 H TYR 38 H TYR 38 3.654 -7.044 2.582 320 HA TYR 38 HA TYR 38 5.083 -9.357 1.308 321 1HB TYR 38 2HB TYR 38 6.047 -7.329 2.893 322 2HB TYR 38 1HB TYR 38 5.692 -8.566 4.095 323 HD1 TYR 38 1HD TYR 38 6.263 -11.074 2.732 324 HD2 TYR 38 2HD TYR 38 8.355 -7.330 2.530 325 HE1 TYR 38 1HE TYR 38 8.340 -12.271 2.127 326 HE2 TYR 38 2HE TYR 38 10.437 -8.531 1.923 327 HH TYR 38 HH TYR 38 10.839 -11.019 0.720 328 H LYS 39 H LYS 39 4.575 -11.411 2.063 329 HA LYS 39 HA LYS 39 2.107 -11.831 3.527 330 1HB LYS 39 2HB LYS 39 2.676 -14.185 3.190 331 2HB LYS 39 1HB LYS 39 3.070 -13.292 1.726 332 1HG LYS 39 2HG LYS 39 5.447 -13.067 2.825 333 2HG LYS 39 1HG LYS 39 4.925 -14.446 3.794 334 1HD LYS 39 2HD LYS 39 4.758 -15.857 1.940 335 2HD LYS 39 1HD LYS 39 4.584 -14.515 0.808 336 1HE LYS 39 2HE LYS 39 7.138 -14.494 2.297 337 2HE LYS 39 1HE LYS 39 6.935 -15.880 1.207 338 1HZ LYS 39 1HZ LYS 39 6.369 -14.412 -0.581 339 2HZ LYS 39 2HZ LYS 39 7.836 -13.875 0.085 340 3HZ LYS 39 3HZ LYS 39 6.390 -13.059 0.441 341 H GLU 40 H GLU 40 5.520 -11.734 4.413 342 HA GLU 40 HA GLU 40 4.820 -11.770 7.280 343 1HB GLU 40 2HB GLU 40 5.234 -14.162 6.068 344 2HB GLU 40 1HB GLU 40 6.899 -13.747 6.472 345 1HG GLU 40 2HG GLU 40 6.263 -14.808 8.431 346 2HG GLU 40 1HG GLU 40 5.818 -13.149 8.826 347 H ARG 41 H ARG 41 7.492 -12.251 8.186 348 HA ARG 41 HA ARG 41 8.999 -9.980 6.924 349 1HB ARG 41 2HB ARG 41 7.774 -10.023 9.371 350 2HB ARG 41 1HB ARG 41 9.386 -10.593 9.800 351 1HG ARG 41 2HG ARG 41 9.392 -8.185 9.973 352 2HG ARG 41 1HG ARG 41 10.333 -8.622 8.547 353 1HD ARG 41 2HD ARG 41 7.587 -8.364 7.751 354 2HD ARG 41 1HD ARG 41 8.048 -6.911 8.657 355 HE ARG 41 HE ARG 41 9.187 -7.775 6.098 356 1HH1 ARG 41 1HH2 ARG 41 9.666 -5.939 9.018 357 2HH1 ARG 41 2HH2 ARG 41 10.812 -4.865 8.294 358 1HH2 ARG 41 1HH1 ARG 41 10.684 -6.364 5.170 359 2HH2 ARG 41 2HH1 ARG 41 11.393 -5.111 6.130 360 HA PRO 42 HA PRO 42 11.540 -13.919 7.151 361 1HB PRO 42 2HB PRO 42 12.084 -14.130 4.478 362 2HB PRO 42 1HB PRO 42 10.653 -14.860 5.232 363 1HG PRO 42 2HG PRO 42 10.887 -12.362 3.643 364 2HG PRO 42 1HG PRO 42 9.589 -13.564 3.674 365 1HD PRO 42 2HD PRO 42 9.471 -11.149 4.960 366 2HD PRO 42 1HD PRO 42 8.557 -12.589 5.459 367 H GLU 43 H GLU 43 13.815 -13.845 7.205 368 HA GLU 43 HA GLU 43 15.126 -11.412 6.033 369 1HB GLU 43 2HB GLU 43 15.571 -12.705 8.749 370 2HB GLU 43 1HB GLU 43 16.447 -11.305 8.130 371 1HG GLU 43 2HG GLU 43 14.081 -10.256 7.814 372 2HG GLU 43 1HG GLU 43 13.550 -11.508 8.936 373 H ALA 44 H ALA 44 15.970 -14.501 7.667 374 HA ALA 44 HA ALA 44 17.479 -16.203 7.066 375 1HB ALA 44 1HB ALA 44 17.627 -15.090 4.291 376 2HB ALA 44 2HB ALA 44 16.061 -15.651 4.875 377 3HB ALA 44 3HB ALA 44 17.429 -16.761 4.817 378 HA PRO 45 HA PRO 45 21.502 -14.452 7.125 379 1HB PRO 45 2HB PRO 45 23.038 -16.393 5.961 380 2HB PRO 45 1HB PRO 45 22.315 -16.563 7.573 381 1HG PRO 45 2HG PRO 45 21.476 -17.746 4.991 382 2HG PRO 45 1HG PRO 45 21.349 -18.398 6.629 383 1HD PRO 45 2HD PRO 45 19.269 -17.258 5.192 384 2HD PRO 45 1HD PRO 45 19.301 -17.480 6.953 385 H ASP 46 H ASP 46 20.892 -15.934 3.894 386 HA ASP 46 HA ASP 46 21.729 -13.409 2.589 387 1HB ASP 46 2HB ASP 46 23.525 -15.529 3.101 388 2HB ASP 46 1HB ASP 46 23.140 -15.643 1.385 389 H GLN 47 H GLN 47 19.176 -14.606 2.593 390 HA GLN 47 HA GLN 47 18.833 -15.178 -0.292 391 1HB GLN 47 2HB GLN 47 17.540 -17.267 0.274 392 2HB GLN 47 1HB GLN 47 19.254 -17.379 0.672 393 1HG GLN 47 2HG GLN 47 18.869 -17.211 2.971 394 2HG GLN 47 1HG GLN 47 17.315 -16.408 2.753 395 1HE2 GLN 47 1HE2 GLN 47 15.528 -17.834 1.773 396 2HE2 GLN 47 2HE2 GLN 47 15.535 -19.484 2.167 397 H THR 48 H THR 48 17.972 -12.878 0.601 398 HA THR 48 HA THR 48 15.608 -12.592 2.087 399 HB THR 48 HB THR 48 17.117 -10.806 1.177 400 HG1 THR 48 1HG THR 48 15.489 -9.367 1.073 401 1HG2 THR 48 1HG2 THR 48 15.539 -10.933 -1.376 402 2HG2 THR 48 2HG2 THR 48 16.987 -11.922 -1.192 403 3HG2 THR 48 3HG2 THR 48 17.097 -10.166 -1.069 404 H LEU 49 H LEU 49 13.548 -13.224 1.764 405 HA LEU 49 HA LEU 49 12.759 -14.779 -0.557 406 1HB LEU 49 2HB LEU 49 11.567 -13.798 2.011 407 2HB LEU 49 1HB LEU 49 10.469 -14.390 0.766 408 HG LEU 49 HG LEU 49 11.973 -16.464 0.635 409 1HD1 LEU 49 1HD1 LEU 49 13.099 -15.043 3.035 410 2HD1 LEU 49 2HD1 LEU 49 13.951 -15.887 1.742 411 3HD1 LEU 49 3HD1 LEU 49 13.097 -16.805 2.982 412 1HD2 LEU 49 1HD2 LEU 49 10.919 -17.461 2.672 413 2HD2 LEU 49 2HD2 LEU 49 9.776 -16.534 1.701 414 3HD2 LEU 49 3HD2 LEU 49 10.441 -15.842 3.180 415 HA PRO 50 HA PRO 50 10.981 -11.590 -3.025 416 1HB PRO 50 2HB PRO 50 8.927 -12.935 -4.231 417 2HB PRO 50 1HB PRO 50 10.631 -13.207 -4.645 418 1HG PRO 50 2HG PRO 50 8.809 -14.840 -2.966 419 2HG PRO 50 1HG PRO 50 10.103 -15.352 -4.059 420 1HD PRO 50 2HD PRO 50 10.321 -15.243 -1.315 421 2HD PRO 50 1HD PRO 50 11.693 -15.192 -2.441 422 HA PRO 51 HA PRO 51 7.570 -9.847 -0.812 423 1HB PRO 51 2HB PRO 51 6.425 -8.285 -2.752 424 2HB PRO 51 1HB PRO 51 7.956 -7.870 -1.955 425 1HG PRO 51 2HG PRO 51 7.486 -9.118 -4.619 426 2HG PRO 51 1HG PRO 51 8.673 -7.894 -4.140 427 1HD PRO 51 2HD PRO 51 9.299 -10.516 -4.469 428 2HD PRO 51 1HD PRO 51 10.148 -9.451 -3.327 429 H LEU 52 H LEU 52 5.182 -9.920 -0.696 430 HA LEU 52 HA LEU 52 4.078 -12.304 -2.038 431 1HB LEU 52 2HB LEU 52 3.761 -11.824 0.374 432 2HB LEU 52 1HB LEU 52 2.910 -10.335 -0.039 433 HG LEU 52 HG LEU 52 1.287 -11.765 -1.372 434 1HD1 LEU 52 1HD1 LEU 52 2.820 -13.943 0.072 435 2HD1 LEU 52 2HD1 LEU 52 2.585 -13.772 -1.667 436 3HD1 LEU 52 3HD1 LEU 52 1.221 -14.187 -0.629 437 1HD2 LEU 52 1HD2 LEU 52 0.461 -12.862 0.977 438 2HD2 LEU 52 2HD2 LEU 52 0.241 -11.162 0.565 439 3HD2 LEU 52 3HD2 LEU 52 1.600 -11.656 1.573 440 H ASN 53 H ASN 53 3.396 -8.794 -1.915 441 HA ASN 53 HA ASN 53 2.012 -9.047 -4.551 442 1HB ASN 53 2HB ASN 53 0.646 -8.948 -2.175 443 2HB ASN 53 1HB ASN 53 0.745 -7.235 -2.583 444 1HD2 ASN 53 1HD2 ASN 53 0.238 -10.244 -4.545 445 2HD2 ASN 53 2HD2 ASN 53 -1.130 -9.647 -5.354 446 H ASN 54 H ASN 54 2.233 -7.173 -5.840 447 HA ASN 54 HA ASN 54 3.943 -4.992 -4.679 448 1HB ASN 54 2HB ASN 54 3.903 -6.423 -7.340 449 2HB ASN 54 1HB ASN 54 4.680 -4.850 -7.167 450 1HD2 ASN 54 1HD2 ASN 54 6.895 -5.134 -6.875 451 2HD2 ASN 54 2HD2 ASN 54 7.606 -6.354 -5.934 452 H PHE 55 H PHE 55 2.994 -2.989 -4.731 453 HA PHE 55 HA PHE 55 0.754 -2.522 -6.681 454 1HB PHE 55 2HB PHE 55 0.013 -2.887 -4.342 455 2HB PHE 55 1HB PHE 55 1.079 -1.591 -3.804 456 HD1 PHE 55 1HD PHE 55 0.457 0.707 -4.021 457 HD2 PHE 55 2HD PHE 55 -1.899 -2.359 -5.890 458 HE1 PHE 55 1HE PHE 55 -1.310 2.371 -4.526 459 HE2 PHE 55 2HE PHE 55 -3.667 -0.695 -6.396 460 HZ PHE 55 HZ PHE 55 -3.372 1.670 -5.714 461 H SER 56 H SER 56 0.607 -0.344 -7.494 462 HA SER 56 HA SER 56 3.076 1.315 -7.074 463 1HB SER 56 2HB SER 56 1.340 0.716 -9.476 464 2HB SER 56 1HB SER 56 2.424 2.104 -9.453 465 HG SER 56 HG SER 56 4.067 0.799 -9.660 466 H VAL 57 H VAL 57 2.643 3.228 -6.069 467 HA VAL 57 HA VAL 57 -0.116 4.382 -6.330 468 HB VAL 57 HB VAL 57 0.380 3.437 -4.116 469 1HG1 VAL 57 1HG1 VAL 57 2.206 4.743 -2.779 470 2HG1 VAL 57 2HG1 VAL 57 2.850 5.136 -4.373 471 3HG1 VAL 57 3HG1 VAL 57 2.706 3.452 -3.870 472 1HG2 VAL 57 1HG2 VAL 57 -0.756 5.812 -4.543 473 2HG2 VAL 57 2HG2 VAL 57 0.644 6.376 -3.631 474 3HG2 VAL 57 3HG2 VAL 57 -0.470 5.214 -2.908 475 H ALA 58 H ALA 58 1.380 5.236 -8.318 476 HA ALA 58 HA ALA 58 2.958 7.635 -7.548 477 1HB ALA 58 1HB ALA 58 3.971 6.340 -9.247 478 2HB ALA 58 2HB ALA 58 3.179 7.628 -10.155 479 3HB ALA 58 3HB ALA 58 2.432 6.034 -10.052 480 H GLU 59 H GLU 59 0.159 6.813 -9.619 481 HA GLU 59 HA GLU 59 -0.948 9.546 -9.111 482 1HB GLU 59 2HB GLU 59 -1.652 9.465 -11.570 483 2HB GLU 59 1HB GLU 59 0.077 9.645 -11.287 484 1HG GLU 59 2HG GLU 59 0.233 7.095 -11.492 485 2HG GLU 59 1HG GLU 59 -1.419 7.144 -12.109 486 H CYS 60 H CYS 60 -2.024 7.883 -7.503 487 HA CYS 60 HA CYS 60 -4.462 6.731 -8.827 488 1HB CYS 60 2HB CYS 60 -2.783 5.731 -6.503 489 2HB CYS 60 1HB CYS 60 -4.311 5.004 -6.999 490 H GLN 61 H GLN 61 -6.354 6.607 -7.299 491 HA GLN 61 HA GLN 61 -6.497 9.064 -5.629 492 1HB GLN 61 2HB GLN 61 -8.142 8.264 -7.480 493 2HB GLN 61 1HB GLN 61 -8.714 7.113 -6.273 494 1HG GLN 61 2HG GLN 61 -8.447 9.937 -5.375 495 2HG GLN 61 1HG GLN 61 -9.745 9.598 -6.520 496 1HE2 GLN 61 1HE2 GLN 61 -11.113 7.546 -5.879 497 2HE2 GLN 61 2HE2 GLN 61 -11.461 7.372 -4.228 498 H LEU 62 H LEU 62 -6.477 8.937 -3.399 499 HA LEU 62 HA LEU 62 -6.891 6.241 -2.129 500 1HB LEU 62 2HB LEU 62 -4.889 8.456 -1.623 501 2HB LEU 62 1HB LEU 62 -5.189 7.180 -0.444 502 HG LEU 62 HG LEU 62 -4.869 5.779 -2.819 503 1HD1 LEU 62 1HD1 LEU 62 -2.467 6.826 -3.368 504 2HD1 LEU 62 2HD1 LEU 62 -3.273 8.305 -2.843 505 3HD1 LEU 62 3HD1 LEU 62 -3.926 7.376 -4.193 506 1HD2 LEU 62 1HD2 LEU 62 -2.696 5.118 -1.824 507 2HD2 LEU 62 2HD2 LEU 62 -3.973 5.167 -0.609 508 3HD2 LEU 62 3HD2 LEU 62 -2.802 6.481 -0.711 509 H MET 63 H MET 63 -8.288 6.206 -0.392 510 HA MET 63 HA MET 63 -9.036 8.747 0.961 511 1HB MET 63 2HB MET 63 -11.359 8.536 0.383 512 2HB MET 63 1HB MET 63 -10.461 8.337 -1.121 513 1HG MET 63 2HG MET 63 -10.533 5.780 -0.484 514 2HG MET 63 1HG MET 63 -11.902 6.268 0.513 515 1HE MET 63 1HE MET 63 -13.953 8.255 -1.282 516 2HE MET 63 2HE MET 63 -13.760 7.111 0.044 517 3HE MET 63 3HE MET 63 -14.715 6.661 -1.367 518 H LYS 64 H LYS 64 -9.974 8.381 3.051 519 HA LYS 64 HA LYS 64 -9.510 5.646 4.126 520 1HB LYS 64 2HB LYS 64 -9.570 6.784 6.293 521 2HB LYS 64 1HB LYS 64 -8.523 7.682 5.195 522 1HG LYS 64 2HG LYS 64 -11.043 8.786 4.746 523 2HG LYS 64 1HG LYS 64 -11.008 8.519 6.488 524 1HD LYS 64 2HD LYS 64 -9.770 10.390 6.679 525 2HD LYS 64 1HD LYS 64 -8.466 9.545 5.844 526 1HE LYS 64 2HE LYS 64 -9.421 10.274 3.656 527 2HE LYS 64 1HE LYS 64 -10.660 11.194 4.533 528 1HZ LYS 64 1HZ LYS 64 -8.867 12.678 4.133 529 2HZ LYS 64 2HZ LYS 64 -7.713 11.547 4.662 530 3HZ LYS 64 3HZ LYS 64 -8.781 12.260 5.777 531 H THR 65 H THR 65 -11.177 4.584 5.409 532 HA THR 65 HA THR 65 -13.928 5.684 5.297 533 HB THR 65 HB THR 65 -13.427 4.555 3.106 534 HG1 THR 65 1HG THR 65 -15.544 4.586 3.807 535 1HG2 THR 65 1HG2 THR 65 -13.014 2.195 4.950 536 2HG2 THR 65 2HG2 THR 65 -11.914 2.822 3.724 537 3HG2 THR 65 3HG2 THR 65 -13.397 1.998 3.239 538 H GLU 66 H GLU 66 -15.462 3.790 6.180 539 HA GLU 66 HA GLU 66 -14.080 2.473 8.498 540 1HB GLU 66 2HB GLU 66 -15.985 3.107 9.856 541 2HB GLU 66 1HB GLU 66 -15.435 4.548 9.005 542 1HG GLU 66 2HG GLU 66 -17.517 2.876 7.663 543 2HG GLU 66 1HG GLU 66 -18.020 3.838 9.051 544 H ARG 67 H ARG 67 -14.961 1.453 5.743 545 HA ARG 67 HA ARG 67 -16.645 -0.813 6.742 546 1HB ARG 67 2HB ARG 67 -17.140 1.194 4.663 547 2HB ARG 67 1HB ARG 67 -17.298 -0.456 4.059 548 1HG ARG 67 2HG ARG 67 -19.312 -0.611 5.041 549 2HG ARG 67 1HG ARG 67 -18.551 -0.376 6.615 550 1HD ARG 67 2HD ARG 67 -19.050 1.889 6.675 551 2HD ARG 67 1HD ARG 67 -19.026 2.046 4.907 552 HE ARG 67 HE ARG 67 -21.137 0.259 5.607 553 1HH1 ARG 67 1HH2 ARG 67 -20.242 3.608 5.901 554 2HH1 ARG 67 2HH2 ARG 67 -21.879 4.168 5.910 555 1HH2 ARG 67 1HH1 ARG 67 -23.268 0.999 5.620 556 2HH2 ARG 67 2HH1 ARG 67 -23.588 2.696 5.751 557 HA PRO 68 HA PRO 68 -17.261 -2.707 6.139 558 1HB PRO 68 2HB PRO 68 -16.296 -5.085 7.087 559 2HB PRO 68 1HB PRO 68 -16.901 -4.874 5.433 560 1HG PRO 68 2HG PRO 68 -14.098 -4.936 6.429 561 2HG PRO 68 1HG PRO 68 -14.786 -5.619 4.948 562 1HD PRO 68 2HD PRO 68 -13.369 -3.295 5.008 563 2HD PRO 68 1HD PRO 68 -14.630 -3.643 3.807 564 H ARG 69 H ARG 69 -14.065 -2.154 7.419 565 HA ARG 69 HA ARG 69 -15.212 -2.050 10.195 566 1HB ARG 69 2HB ARG 69 -12.730 -3.226 9.037 567 2HB ARG 69 1HB ARG 69 -12.578 -2.460 10.617 568 1HG ARG 69 2HG ARG 69 -14.001 -3.971 11.645 569 2HG ARG 69 1HG ARG 69 -14.872 -4.325 10.153 570 1HD ARG 69 2HD ARG 69 -12.581 -5.347 9.363 571 2HD ARG 69 1HD ARG 69 -12.234 -5.422 11.103 572 HE ARG 69 HE ARG 69 -14.860 -6.398 10.773 573 1HH1 ARG 69 1HH2 ARG 69 -11.628 -7.240 9.796 574 2HH1 ARG 69 2HH2 ARG 69 -11.973 -8.931 9.706 575 1HH2 ARG 69 1HH1 ARG 69 -15.294 -8.595 10.649 576 2HH2 ARG 69 2HH1 ARG 69 -14.043 -9.699 10.184 577 HA PRO 70 HA PRO 70 -13.884 2.130 10.415 578 1HB PRO 70 2HB PRO 70 -12.889 2.314 12.966 579 2HB PRO 70 1HB PRO 70 -14.624 2.204 12.605 580 1HG PRO 70 2HG PRO 70 -12.731 0.061 13.461 581 2HG PRO 70 1HG PRO 70 -14.394 0.372 13.989 582 1HD PRO 70 2HD PRO 70 -13.789 -1.557 12.202 583 2HD PRO 70 1HD PRO 70 -15.316 -0.648 12.136 584 H ASN 71 H ASN 71 -11.971 3.487 10.375 585 HA ASN 71 HA ASN 71 -9.706 3.970 9.967 586 1HB ASN 71 2HB ASN 71 -9.195 1.411 11.518 587 2HB ASN 71 1HB ASN 71 -8.113 2.791 11.353 588 1HD2 ASN 71 1HD2 ASN 71 -9.965 1.412 13.638 589 2HD2 ASN 71 2HD2 ASN 71 -10.522 2.784 14.469 590 H THR 72 H THR 72 -10.872 2.890 7.794 591 HA THR 72 HA THR 72 -8.977 0.757 6.840 592 HB THR 72 HB THR 72 -11.893 1.359 6.300 593 HG1 THR 72 1HG THR 72 -10.390 -0.728 7.435 594 1HG2 THR 72 1HG2 THR 72 -11.722 -0.651 4.724 595 2HG2 THR 72 2HG2 THR 72 -9.979 -0.379 4.738 596 3HG2 THR 72 3HG2 THR 72 -11.062 0.871 4.125 597 H PHE 73 H PHE 73 -8.402 0.920 4.523 598 HA PHE 73 HA PHE 73 -8.507 3.743 3.500 599 1HB PHE 73 2HB PHE 73 -6.362 1.909 4.114 600 2HB PHE 73 1HB PHE 73 -6.325 2.302 2.398 601 HD1 PHE 73 1HD PHE 73 -7.286 5.059 2.285 602 HD2 PHE 73 2HD PHE 73 -4.705 3.175 5.156 603 HE1 PHE 73 1HE PHE 73 -6.272 7.256 2.815 604 HE2 PHE 73 2HE PHE 73 -3.692 5.371 5.684 605 HZ PHE 73 HZ PHE 73 -4.474 7.411 4.518 606 H VAL 74 H VAL 74 -9.373 3.976 1.467 607 HA VAL 74 HA VAL 74 -9.736 1.510 -0.210 608 HB VAL 74 HB VAL 74 -11.406 4.043 0.021 609 1HG1 VAL 74 1HG1 VAL 74 -11.788 1.544 -1.658 610 2HG1 VAL 74 2HG1 VAL 74 -11.449 3.165 -2.264 611 3HG1 VAL 74 3HG1 VAL 74 -12.987 2.824 -1.471 612 1HG2 VAL 74 1HG2 VAL 74 -13.041 2.681 1.120 613 2HG2 VAL 74 2HG2 VAL 74 -11.507 2.311 1.905 614 3HG2 VAL 74 3HG2 VAL 74 -12.178 1.197 0.715 615 H ILE 75 H ILE 75 -8.671 1.592 -2.160 616 HA ILE 75 HA ILE 75 -7.706 4.275 -3.093 617 HB ILE 75 HB ILE 75 -5.987 2.732 -2.166 618 1HG1 ILE 75 2HG1 ILE 75 -5.426 2.758 -5.097 619 2HG1 ILE 75 1HG1 ILE 75 -5.770 4.306 -4.326 620 1HG2 ILE 75 1HG2 ILE 75 -5.423 0.673 -3.374 621 2HG2 ILE 75 2HG2 ILE 75 -6.743 0.952 -4.507 622 3HG2 ILE 75 3HG2 ILE 75 -7.093 0.602 -2.814 623 1HD1 ILE 75 1HD1 ILE 75 -4.033 3.769 -2.601 624 2HD1 ILE 75 2HD1 ILE 75 -3.375 3.920 -4.230 625 3HD1 ILE 75 3HD1 ILE 75 -3.625 2.324 -3.523 626 H ARG 76 H ARG 76 -8.183 4.841 -5.170 627 HA ARG 76 HA ARG 76 -9.429 2.766 -6.946 628 1HB ARG 76 2HB ARG 76 -10.816 4.684 -5.818 629 2HB ARG 76 1HB ARG 76 -10.052 5.714 -7.030 630 1HG ARG 76 2HG ARG 76 -11.010 3.290 -8.276 631 2HG ARG 76 1HG ARG 76 -12.319 4.056 -7.377 632 1HD ARG 76 2HD ARG 76 -10.547 5.718 -9.171 633 2HD ARG 76 1HD ARG 76 -11.926 4.823 -9.841 634 HE ARG 76 HE ARG 76 -12.878 6.141 -7.534 635 1HH1 ARG 76 1HH2 ARG 76 -11.538 6.950 -10.641 636 2HH1 ARG 76 2HH2 ARG 76 -12.366 8.466 -10.734 637 1HH2 ARG 76 1HH1 ARG 76 -13.960 8.114 -7.673 638 2HH2 ARG 76 2HH1 ARG 76 -13.737 9.122 -9.064 639 H CYS 77 H CYS 77 -7.882 2.335 -8.477 640 HA CYS 77 HA CYS 77 -6.708 4.641 -9.973 641 1HB CYS 77 2HB CYS 77 -5.262 3.608 -8.057 642 2HB CYS 77 1HB CYS 77 -5.066 2.243 -9.155 643 H LEU 78 H LEU 78 -8.685 3.527 -11.238 644 HA LEU 78 HA LEU 78 -7.905 1.055 -12.667 645 1HB LEU 78 2HB LEU 78 -10.231 1.790 -11.722 646 2HB LEU 78 1HB LEU 78 -10.334 2.767 -13.185 647 HG LEU 78 HG LEU 78 -9.419 0.138 -13.896 648 1HD1 LEU 78 1HD1 LEU 78 -10.448 -0.808 -11.974 649 2HD1 LEU 78 2HD1 LEU 78 -11.632 -1.014 -13.264 650 3HD1 LEU 78 3HD1 LEU 78 -11.832 0.279 -12.081 651 1HD2 LEU 78 1HD2 LEU 78 -11.417 0.206 -15.325 652 2HD2 LEU 78 2HD2 LEU 78 -10.605 1.772 -15.349 653 3HD2 LEU 78 3HD2 LEU 78 -12.064 1.550 -14.384 654 H GLN 79 H GLN 79 -5.987 2.274 -13.661 655 HA GLN 79 HA GLN 79 -6.843 3.897 -16.041 656 1HB GLN 79 2HB GLN 79 -5.339 4.805 -14.104 657 2HB GLN 79 1HB GLN 79 -4.076 3.816 -14.839 658 1HG GLN 79 2HG GLN 79 -4.722 4.976 -17.057 659 2HG GLN 79 1HG GLN 79 -5.569 6.147 -16.045 660 1HE2 GLN 79 1HE2 GLN 79 -3.936 6.644 -13.933 661 2HE2 GLN 79 2HE2 GLN 79 -2.394 7.150 -14.431 662 H TRP 80 H TRP 80 -4.344 1.567 -14.947 663 HA TRP 80 HA TRP 80 -4.060 0.614 -17.771 664 1HB TRP 80 2HB TRP 80 -2.318 0.575 -15.295 665 2HB TRP 80 1HB TRP 80 -1.940 -0.416 -16.704 666 HD1 TRP 80 HD TRP 80 -2.375 3.264 -15.675 667 HE1 TRP 80 1HE TRP 80 -1.073 4.737 -17.341 668 HE3 TRP 80 3HE TRP 80 -0.898 -0.295 -19.027 669 HZ2 TRP 80 2HZ TRP 80 0.404 4.443 -19.776 670 HZ3 TRP 80 3HZ TRP 80 0.454 0.328 -21.009 671 HH2 TRP 80 HH TRP 80 1.106 2.690 -21.386 672 H THR 81 H THR 81 -4.071 -0.681 -14.417 673 HA THR 81 HA THR 81 -4.916 -3.339 -15.414 674 HB THR 81 HB THR 81 -4.368 -2.293 -12.613 675 HG1 THR 81 1HG THR 81 -2.358 -2.451 -13.148 676 1HG2 THR 81 1HG2 THR 81 -5.599 -4.326 -12.444 677 2HG2 THR 81 2HG2 THR 81 -3.908 -4.781 -12.236 678 3HG2 THR 81 3HG2 THR 81 -4.712 -5.059 -13.781 679 H THR 82 H THR 82 -7.018 -4.052 -15.314 680 HA THR 82 HA THR 82 -9.150 -2.216 -14.518 681 HB THR 82 HB THR 82 -10.476 -4.416 -15.101 682 HG1 THR 82 1HG THR 82 -9.301 -5.956 -16.079 683 1HG2 THR 82 1HG2 THR 82 -10.238 -3.920 -17.484 684 2HG2 THR 82 2HG2 THR 82 -8.729 -3.062 -17.175 685 3HG2 THR 82 3HG2 THR 82 -10.251 -2.418 -16.560 686 H VAL 83 H VAL 83 -7.930 -5.362 -13.306 687 HA VAL 83 HA VAL 83 -9.470 -4.892 -10.772 688 HB VAL 83 HB VAL 83 -8.464 -7.447 -12.077 689 1HG1 VAL 83 1HG1 VAL 83 -10.107 -6.938 -9.580 690 2HG1 VAL 83 2HG1 VAL 83 -8.540 -7.740 -9.680 691 3HG1 VAL 83 3HG1 VAL 83 -9.973 -8.517 -10.352 692 1HG2 VAL 83 1HG2 VAL 83 -10.324 -6.424 -13.314 693 2HG2 VAL 83 2HG2 VAL 83 -11.251 -6.268 -11.823 694 3HG2 VAL 83 3HG2 VAL 83 -10.886 -7.867 -12.470 695 H ILE 84 H ILE 84 -8.097 -4.133 -9.207 696 HA ILE 84 HA ILE 84 -5.605 -5.589 -8.617 697 HB ILE 84 HB ILE 84 -4.972 -4.022 -10.411 698 1HG1 ILE 84 2HG1 ILE 84 -3.586 -2.455 -8.533 699 2HG1 ILE 84 1HG1 ILE 84 -3.877 -3.993 -7.722 700 1HG2 ILE 84 1HG2 ILE 84 -6.886 -2.374 -9.574 701 2HG2 ILE 84 2HG2 ILE 84 -5.470 -1.766 -10.428 702 3HG2 ILE 84 3HG2 ILE 84 -5.552 -1.659 -8.670 703 1HD1 ILE 84 1HD1 ILE 84 -2.861 -5.219 -9.548 704 2HD1 ILE 84 2HD1 ILE 84 -1.745 -3.945 -9.054 705 3HD1 ILE 84 3HD1 ILE 84 -2.719 -3.748 -10.512 706 H GLU 85 H GLU 85 -7.179 -5.875 -6.741 707 HA GLU 85 HA GLU 85 -7.775 -5.433 -4.508 708 1HB GLU 85 2HB GLU 85 -5.324 -3.771 -5.028 709 2HB GLU 85 1HB GLU 85 -6.155 -3.616 -3.482 710 1HG GLU 85 2HG GLU 85 -6.058 -6.186 -3.365 711 2HG GLU 85 1HG GLU 85 -4.883 -6.081 -4.677 712 H ARG 86 H ARG 86 -8.345 -3.416 -2.988 713 HA ARG 86 HA ARG 86 -9.294 -1.024 -4.397 714 1HB ARG 86 2HB ARG 86 -10.865 -3.297 -4.523 715 2HB ARG 86 1HB ARG 86 -11.544 -2.453 -3.133 716 1HG ARG 86 2HG ARG 86 -12.698 -1.211 -4.627 717 2HG ARG 86 1HG ARG 86 -11.164 -0.419 -4.985 718 1HD ARG 86 2HD ARG 86 -11.184 -1.290 -7.077 719 2HD ARG 86 1HD ARG 86 -11.280 -2.929 -6.409 720 HE ARG 86 HE ARG 86 -13.640 -2.869 -6.669 721 1HH1 ARG 86 1HH2 ARG 86 -12.235 0.290 -7.093 722 2HH1 ARG 86 2HH2 ARG 86 -13.700 0.989 -7.687 723 1HH2 ARG 86 1HH1 ARG 86 -15.541 -1.938 -7.440 724 2HH2 ARG 86 2HH1 ARG 86 -15.565 -0.264 -7.880 725 H THR 87 H THR 87 -10.057 -2.989 -1.476 726 HA THR 87 HA THR 87 -9.617 -0.513 0.170 727 HB THR 87 HB THR 87 -11.447 -2.875 0.710 728 HG1 THR 87 1HG THR 87 -11.887 -0.369 -0.520 729 1HG2 THR 87 1HG2 THR 87 -12.450 -1.353 2.373 730 2HG2 THR 87 2HG2 THR 87 -11.254 -0.123 1.965 731 3HG2 THR 87 3HG2 THR 87 -10.743 -1.636 2.714 732 H PHE 88 H PHE 88 -8.185 -0.698 1.871 733 HA PHE 88 HA PHE 88 -7.272 -3.423 2.688 734 1HB PHE 88 2HB PHE 88 -5.151 -3.013 1.974 735 2HB PHE 88 1HB PHE 88 -5.871 -1.732 1.010 736 HD1 PHE 88 1HD PHE 88 -4.422 -2.412 4.396 737 HD2 PHE 88 2HD PHE 88 -5.209 0.500 1.338 738 HE1 PHE 88 1HE PHE 88 -3.086 -0.740 5.642 739 HE2 PHE 88 2HE PHE 88 -3.874 2.173 2.590 740 HZ PHE 88 HZ PHE 88 -2.812 1.553 4.742 741 H HIS 89 H HIS 89 -6.799 -3.581 4.921 742 HA HIS 89 HA HIS 89 -7.686 -1.243 6.560 743 1HB HIS 89 2HB HIS 89 -7.469 -4.232 6.974 744 2HB HIS 89 1HB HIS 89 -7.803 -3.131 8.309 745 HD1 HIS 89 1HD HIS 89 -10.212 -4.232 8.505 746 HD2 HIS 89 2HD HIS 89 -9.497 -2.224 4.922 747 HE1 HIS 89 1HE HIS 89 -12.467 -3.907 7.400 748 H VAL 90 H VAL 90 -6.435 -0.583 8.399 749 HA VAL 90 HA VAL 90 -3.535 -1.336 8.256 750 HB VAL 90 HB VAL 90 -3.198 0.871 9.376 751 1HG1 VAL 90 1HG1 VAL 90 -4.663 0.653 6.769 752 2HG1 VAL 90 2HG1 VAL 90 -2.989 1.116 7.077 753 3HG1 VAL 90 3HG1 VAL 90 -4.293 2.250 7.417 754 1HG2 VAL 90 1HG2 VAL 90 -5.548 0.763 10.444 755 2HG2 VAL 90 2HG2 VAL 90 -6.136 1.389 8.904 756 3HG2 VAL 90 3HG2 VAL 90 -4.996 2.331 9.861 757 H ASP 91 H ASP 91 -2.411 -1.497 10.378 758 HA ASP 91 HA ASP 91 -3.765 -3.169 12.258 759 1HB ASP 91 2HB ASP 91 -1.162 -1.847 11.900 760 2HB ASP 91 1HB ASP 91 -1.597 -2.086 13.593 761 H SER 92 H SER 92 -3.411 0.360 12.124 762 HA SER 92 HA SER 92 -5.363 0.611 14.335 763 1HB SER 92 2HB SER 92 -3.884 1.447 15.884 764 2HB SER 92 1HB SER 92 -2.721 0.507 14.957 765 HG SER 92 HG SER 92 -1.812 2.313 14.398 766 HA PRO 93 HA PRO 93 -6.589 4.244 12.169 767 1HB PRO 93 2HB PRO 93 -7.042 6.062 14.180 768 2HB PRO 93 1HB PRO 93 -8.134 4.707 13.832 769 1HG PRO 93 2HG PRO 93 -6.015 4.933 15.920 770 2HG PRO 93 1HG PRO 93 -7.652 4.265 16.045 771 1HD PRO 93 2HD PRO 93 -5.485 2.686 15.797 772 2HD PRO 93 1HD PRO 93 -7.051 2.256 15.071 773 H ASP 94 H ASP 94 -4.073 4.690 14.637 774 HA ASP 94 HA ASP 94 -3.035 7.206 13.706 775 1HB ASP 94 2HB ASP 94 -2.154 4.899 15.401 776 2HB ASP 94 1HB ASP 94 -0.911 6.026 14.857 777 H GLU 95 H GLU 95 -2.313 3.809 12.885 778 HA GLU 95 HA GLU 95 -0.091 4.266 11.137 779 1HB GLU 95 2HB GLU 95 -1.835 2.136 11.984 780 2HB GLU 95 1HB GLU 95 -1.687 2.073 10.229 781 1HG GLU 95 2HG GLU 95 0.226 0.920 10.674 782 2HG GLU 95 1HG GLU 95 0.907 2.525 10.919 783 H ARG 96 H ARG 96 -3.602 4.042 10.487 784 HA ARG 96 HA ARG 96 -3.576 4.356 7.669 785 1HB ARG 96 2HB ARG 96 -5.558 3.736 8.867 786 2HB ARG 96 1HB ARG 96 -5.489 5.186 9.865 787 1HG ARG 96 2HG ARG 96 -5.783 6.523 7.705 788 2HG ARG 96 1HG ARG 96 -6.174 4.989 6.925 789 1HD ARG 96 2HD ARG 96 -8.315 5.444 7.591 790 2HD ARG 96 1HD ARG 96 -7.756 4.903 9.182 791 HE ARG 96 HE ARG 96 -7.402 7.763 8.395 792 1HH1 ARG 96 1HH2 ARG 96 -8.712 5.332 10.528 793 2HH1 ARG 96 2HH2 ARG 96 -9.275 6.484 11.681 794 1HH2 ARG 96 1HH1 ARG 96 -8.132 9.242 9.924 795 2HH2 ARG 96 2HH1 ARG 96 -8.943 8.683 11.349 796 H GLU 97 H GLU 97 -3.596 6.874 10.231 797 HA GLU 97 HA GLU 97 -3.690 9.120 8.413 798 1HB GLU 97 2HB GLU 97 -4.281 9.272 10.785 799 2HB GLU 97 1HB GLU 97 -2.652 8.789 11.252 800 1HG GLU 97 2HG GLU 97 -2.853 11.211 11.458 801 2HG GLU 97 1HG GLU 97 -1.764 10.835 10.124 802 H GLU 98 H GLU 98 -1.041 7.238 9.860 803 HA GLU 98 HA GLU 98 1.126 8.915 8.973 804 1HB GLU 98 2HB GLU 98 0.987 6.990 10.723 805 2HB GLU 98 1HB GLU 98 1.257 5.922 9.344 806 1HG GLU 98 2HG GLU 98 3.130 8.021 9.082 807 2HG GLU 98 1HG GLU 98 3.167 7.550 10.780 808 H TRP 99 H TRP 99 -0.524 6.107 7.491 809 HA TRP 99 HA TRP 99 1.209 5.774 5.230 810 1HB TRP 99 2HB TRP 99 -1.749 5.263 5.676 811 2HB TRP 99 1HB TRP 99 -0.875 4.701 4.254 812 HD1 TRP 99 HD TRP 99 -2.073 3.330 7.250 813 HE1 TRP 99 1HE TRP 99 -0.624 1.406 8.149 814 HE3 TRP 99 3HE TRP 99 2.199 4.116 4.567 815 HZ2 TRP 99 2HZ TRP 99 1.996 0.328 7.776 816 HZ3 TRP 99 3HZ TRP 99 4.155 2.623 4.857 817 HH2 TRP 99 HH TRP 99 4.058 0.733 6.458 818 H MET 100 H MET 100 -1.793 7.679 5.637 819 HA MET 100 HA MET 100 -2.032 8.712 3.010 820 1HB MET 100 2HB MET 100 -3.412 8.891 5.325 821 2HB MET 100 1HB MET 100 -2.632 10.472 5.345 822 1HG MET 100 2HG MET 100 -3.874 9.613 2.775 823 2HG MET 100 1HG MET 100 -4.967 10.051 4.087 824 1HE MET 100 1HE MET 100 -3.788 12.311 5.728 825 2HE MET 100 2HE MET 100 -5.389 12.164 5.009 826 3HE MET 100 3HE MET 100 -4.476 13.657 4.810 827 H ARG 101 H ARG 101 -0.201 9.993 5.805 828 HA ARG 101 HA ARG 101 0.776 12.375 4.535 829 1HB ARG 101 2HB ARG 101 0.731 11.751 6.998 830 2HB ARG 101 1HB ARG 101 2.104 10.690 6.683 831 1HG ARG 101 2HG ARG 101 3.271 12.586 7.272 832 2HG ARG 101 1HG ARG 101 3.068 12.925 5.554 833 1HD ARG 101 2HD ARG 101 2.418 14.909 6.847 834 2HD ARG 101 1HD ARG 101 0.965 14.200 6.117 835 HE ARG 101 HE ARG 101 1.307 12.932 8.620 836 1HH1 ARG 101 1HH2 ARG 101 0.731 16.129 7.374 837 2HH1 ARG 101 2HH2 ARG 101 -0.177 16.634 8.757 838 1HH2 ARG 101 1HH1 ARG 101 0.113 13.593 10.409 839 2HH2 ARG 101 2HH1 ARG 101 -0.533 15.198 10.470 840 H ALA 102 H ALA 102 2.160 9.085 4.817 841 HA ALA 102 HA ALA 102 4.643 9.654 3.469 842 1HB ALA 102 1HB ALA 102 3.698 6.949 3.074 843 2HB ALA 102 2HB ALA 102 3.303 7.481 4.708 844 3HB ALA 102 3HB ALA 102 4.974 7.522 4.146 845 H ILE 103 H ILE 103 1.545 8.286 2.304 846 HA ILE 103 HA ILE 103 2.291 7.926 -0.433 847 HB ILE 103 HB ILE 103 -0.357 8.544 0.927 848 1HG1 ILE 103 2HG1 ILE 103 0.509 5.881 -0.178 849 2HG1 ILE 103 1HG1 ILE 103 1.083 6.394 1.408 850 1HG2 ILE 103 1HG2 ILE 103 -0.390 9.067 -1.519 851 2HG2 ILE 103 2HG2 ILE 103 -1.440 7.717 -1.095 852 3HG2 ILE 103 3HG2 ILE 103 0.124 7.411 -1.848 853 1HD1 ILE 103 1HD1 ILE 103 -1.610 6.986 1.536 854 2HD1 ILE 103 2HD1 ILE 103 -0.859 5.533 2.194 855 3HD1 ILE 103 3HD1 ILE 103 -1.591 5.498 0.591 856 H GLN 104 H GLN 104 0.802 10.715 1.247 857 HA GLN 104 HA GLN 104 0.568 12.394 -1.084 858 1HB GLN 104 2HB GLN 104 -0.505 12.484 1.300 859 2HB GLN 104 1HB GLN 104 0.954 13.370 1.745 860 1HG GLN 104 2HG GLN 104 -0.590 15.057 1.122 861 2HG GLN 104 1HG GLN 104 0.446 14.869 -0.295 862 1HE2 GLN 104 1HE2 GLN 104 -0.504 14.025 -2.233 863 2HE2 GLN 104 2HE2 GLN 104 -2.159 13.675 -2.367 864 H MET 105 H MET 105 3.129 12.006 1.377 865 HA MET 105 HA MET 105 4.779 14.194 0.468 866 1HB MET 105 2HB MET 105 4.871 13.053 2.694 867 2HB MET 105 1HB MET 105 5.519 11.618 1.900 868 1HG MET 105 2HG MET 105 7.068 13.863 1.045 869 2HG MET 105 1HG MET 105 6.940 13.930 2.803 870 1HE MET 105 1HE MET 105 9.374 13.706 3.064 871 2HE MET 105 2HE MET 105 9.746 13.509 1.353 872 3HE MET 105 3HE MET 105 10.393 12.364 2.526 873 H VAL 106 H VAL 106 4.855 10.673 -0.212 874 HA VAL 106 HA VAL 106 7.110 10.811 -2.021 875 HB VAL 106 HB VAL 106 4.879 8.825 -1.499 876 1HG1 VAL 106 1HG1 VAL 106 5.480 8.315 -3.733 877 2HG1 VAL 106 2HG1 VAL 106 6.482 7.234 -2.763 878 3HG1 VAL 106 3HG1 VAL 106 7.179 8.700 -3.454 879 1HG2 VAL 106 1HG2 VAL 106 7.386 7.741 -0.899 880 2HG2 VAL 106 2HG2 VAL 106 6.226 8.384 0.263 881 3HG2 VAL 106 3HG2 VAL 106 7.505 9.420 -0.371 882 H ALA 107 H ALA 107 3.557 10.746 -2.528 883 HA ALA 107 HA ALA 107 3.546 10.745 -5.375 884 1HB ALA 107 1HB ALA 107 1.690 11.947 -3.298 885 2HB ALA 107 2HB ALA 107 1.551 10.363 -4.061 886 3HB ALA 107 3HB ALA 107 1.281 11.826 -5.009 887 H ASN 108 H ASN 108 4.002 13.398 -3.057 888 HA ASN 108 HA ASN 108 3.671 15.628 -4.794 889 1HB ASN 108 2HB ASN 108 4.656 15.002 -2.160 890 2HB ASN 108 1HB ASN 108 5.757 16.144 -2.930 891 1HD2 ASN 108 1HD2 ASN 108 2.422 15.702 -1.803 892 2HD2 ASN 108 2HD2 ASN 108 1.980 17.337 -1.935 893 H SER 109 H SER 109 6.312 13.311 -4.565 894 HA SER 109 HA SER 109 8.253 15.028 -5.955 895 1HB SER 109 2HB SER 109 9.004 13.456 -4.277 896 2HB SER 109 1HB SER 109 8.170 12.127 -5.074 897 HG SER 109 HG SER 109 10.223 11.962 -5.775 898 H LEU 110 H LEU 110 6.085 12.324 -6.787 899 HA LEU 110 HA LEU 110 6.849 12.716 -9.664 900 1HB LEU 110 2HB LEU 110 6.477 10.272 -9.892 901 2HB LEU 110 1HB LEU 110 7.723 10.628 -8.699 902 HG LEU 110 HG LEU 110 5.091 10.571 -7.464 903 1HD1 LEU 110 1HD1 LEU 110 5.963 8.222 -9.144 904 2HD1 LEU 110 2HD1 LEU 110 4.372 8.975 -9.051 905 3HD1 LEU 110 3HD1 LEU 110 4.965 7.998 -7.709 906 1HD2 LEU 110 1HD2 LEU 110 6.224 9.210 -5.867 907 2HD2 LEU 110 2HD2 LEU 110 7.443 10.343 -6.449 908 3HD2 LEU 110 3HD2 LEU 110 7.421 8.685 -7.051 909 H LYS 111 H LYS 111 4.758 14.189 -8.512 910 HA LYS 111 HA LYS 111 2.189 12.846 -9.021 911 1HB LYS 111 2HB LYS 111 1.305 15.117 -8.427 912 2HB LYS 111 1HB LYS 111 2.413 14.477 -7.218 913 1HG LYS 111 2HG LYS 111 4.204 15.876 -7.986 914 2HG LYS 111 1HG LYS 111 3.314 16.326 -9.442 915 1HD LYS 111 2HD LYS 111 1.621 17.469 -8.049 916 2HD LYS 111 1HD LYS 111 2.521 17.027 -6.597 917 1HE LYS 111 2HE LYS 111 4.239 18.537 -7.033 918 2HE LYS 111 1HE LYS 111 3.969 18.493 -8.787 919 1HZ LYS 111 1HZ LYS 111 3.099 20.546 -7.898 920 2HZ LYS 111 2HZ LYS 111 2.163 19.706 -6.756 921 3HZ LYS 111 3HZ LYS 111 1.808 19.575 -8.412 Start of MODEL 6 1 1H MET 1 1H MET 1 20.430 7.780 -8.602 2 2H MET 1 2H MET 1 18.867 8.431 -8.474 3 3H MET 1 3H MET 1 20.085 9.298 -9.279 4 HA MET 1 HA MET 1 18.492 8.209 -10.825 5 1HB MET 1 2HB MET 1 21.450 7.704 -10.663 6 2HB MET 1 1HB MET 1 20.539 7.003 -12.001 7 1HG MET 1 2HG MET 1 19.588 9.333 -12.409 8 2HG MET 1 1HG MET 1 20.801 9.929 -11.276 9 1HE MET 1 1HE MET 1 23.904 10.265 -13.110 10 2HE MET 1 2HE MET 1 23.333 9.693 -11.545 11 3HE MET 1 3HE MET 1 22.614 11.131 -12.264 12 H ASN 2 H ASN 2 17.029 6.566 -10.468 13 HA ASN 2 HA ASN 2 16.175 4.397 -10.116 14 1HB ASN 2 2HB ASN 2 18.334 4.314 -11.859 15 2HB ASN 2 1HB ASN 2 18.727 3.062 -10.680 16 1HD2 ASN 2 1HD2 ASN 2 16.008 4.160 -12.780 17 2HD2 ASN 2 2HD2 ASN 2 15.362 2.607 -13.002 18 H GLU 3 H GLU 3 16.936 5.604 -7.742 19 HA GLU 3 HA GLU 3 17.927 3.269 -6.173 20 1HB GLU 3 2HB GLU 3 19.352 4.906 -4.864 21 2HB GLU 3 1HB GLU 3 19.875 4.667 -6.530 22 1HG GLU 3 2HG GLU 3 18.584 6.731 -7.166 23 2HG GLU 3 1HG GLU 3 18.257 6.997 -5.454 24 H VAL 4 H VAL 4 15.286 3.765 -6.281 25 HA VAL 4 HA VAL 4 14.330 5.721 -4.347 26 HB VAL 4 HB VAL 4 13.235 3.472 -6.002 27 1HG1 VAL 4 1HG1 VAL 4 12.112 3.034 -3.902 28 2HG1 VAL 4 2HG1 VAL 4 10.974 3.874 -4.953 29 3HG1 VAL 4 3HG1 VAL 4 11.791 4.751 -3.661 30 1HG2 VAL 4 1HG2 VAL 4 13.495 5.921 -6.712 31 2HG2 VAL 4 2HG2 VAL 4 12.196 6.281 -5.576 32 3HG2 VAL 4 3HG2 VAL 4 11.900 5.209 -6.945 33 H SER 5 H SER 5 13.863 5.412 -2.173 34 HA SER 5 HA SER 5 14.627 2.766 -0.982 35 1HB SER 5 2HB SER 5 15.084 4.159 1.040 36 2HB SER 5 1HB SER 5 16.022 4.690 -0.353 37 HG SER 5 HG SER 5 14.649 6.246 1.045 38 H VAL 6 H VAL 6 13.401 2.672 1.353 39 HA VAL 6 HA VAL 6 10.523 2.655 0.690 40 HB VAL 6 HB VAL 6 12.240 1.677 2.984 41 1HG1 VAL 6 1HG1 VAL 6 10.165 2.367 4.016 42 2HG1 VAL 6 2HG1 VAL 6 10.110 0.613 3.837 43 3HG1 VAL 6 3HG1 VAL 6 9.219 1.642 2.715 44 1HG2 VAL 6 1HG2 VAL 6 12.383 0.209 1.133 45 2HG2 VAL 6 2HG2 VAL 6 10.681 0.421 0.724 46 3HG2 VAL 6 3HG2 VAL 6 11.136 -0.514 2.148 47 H ILE 7 H ILE 7 9.080 4.166 1.412 48 HA ILE 7 HA ILE 7 10.061 6.494 2.931 49 HB ILE 7 HB ILE 7 7.409 5.701 1.679 50 1HG1 ILE 7 2HG1 ILE 7 9.069 6.158 0.000 51 2HG1 ILE 7 1HG1 ILE 7 8.048 7.591 0.103 52 1HG2 ILE 7 1HG2 ILE 7 8.232 8.306 2.992 53 2HG2 ILE 7 2HG2 ILE 7 6.974 7.203 3.549 54 3HG2 ILE 7 3HG2 ILE 7 6.767 8.083 2.036 55 1HD1 ILE 7 1HD1 ILE 7 10.883 7.212 0.978 56 2HD1 ILE 7 2HD1 ILE 7 9.874 8.321 1.905 57 3HD1 ILE 7 3HD1 ILE 7 10.131 8.593 0.183 58 H LYS 8 H LYS 8 7.543 3.973 3.338 59 HA LYS 8 HA LYS 8 7.895 4.111 6.279 60 1HB LYS 8 2HB LYS 8 6.139 5.816 5.190 61 2HB LYS 8 1HB LYS 8 5.105 4.388 5.230 62 1HG LYS 8 2HG LYS 8 4.664 5.176 7.347 63 2HG LYS 8 1HG LYS 8 6.105 4.230 7.719 64 1HD LYS 8 2HD LYS 8 6.500 6.354 8.708 65 2HD LYS 8 1HD LYS 8 7.441 6.368 7.216 66 1HE LYS 8 2HE LYS 8 5.935 7.811 6.125 67 2HE LYS 8 1HE LYS 8 4.606 7.411 7.229 68 1HZ LYS 8 1HZ LYS 8 7.017 9.040 7.777 69 2HZ LYS 8 2HZ LYS 8 6.120 8.338 9.038 70 3HZ LYS 8 3HZ LYS 8 5.388 9.461 7.996 71 H GLU 9 H GLU 9 7.515 2.101 7.182 72 HA GLU 9 HA GLU 9 6.025 0.085 5.538 73 1HB GLU 9 2HB GLU 9 7.746 -1.558 6.210 74 2HB GLU 9 1HB GLU 9 8.467 -0.209 5.336 75 1HG GLU 9 2HG GLU 9 8.911 0.836 7.646 76 2HG GLU 9 1HG GLU 9 8.536 -0.756 8.308 77 H GLY 10 H GLY 10 4.700 -1.305 6.719 78 1HA GLY 10 2HA GLY 10 4.854 -1.551 9.608 79 2HA GLY 10 1HA GLY 10 3.541 -0.487 9.107 80 H TRP 11 H TRP 11 2.886 -2.820 10.427 81 HA TRP 11 HA TRP 11 2.247 -4.927 8.464 82 1HB TRP 11 2HB TRP 11 1.831 -4.475 11.423 83 2HB TRP 11 1HB TRP 11 1.104 -5.855 10.597 84 HD1 TRP 11 HD TRP 11 4.459 -4.415 11.665 85 HE1 TRP 11 1HE TRP 11 6.277 -6.221 11.389 86 HE3 TRP 11 3HE TRP 11 1.763 -8.017 9.251 87 HZ2 TRP 11 2HZ TRP 11 6.550 -8.850 10.293 88 HZ3 TRP 11 3HZ TRP 11 2.825 -10.160 8.603 89 HH2 TRP 11 HH TRP 11 5.213 -10.577 9.121 90 H LEU 12 H LEU 12 0.392 -4.919 7.276 91 HA LEU 12 HA LEU 12 -1.957 -3.351 8.297 92 1HB LEU 12 2HB LEU 12 -0.939 -3.617 5.447 93 2HB LEU 12 1HB LEU 12 -2.304 -2.631 5.972 94 HG LEU 12 HG LEU 12 0.555 -2.268 6.926 95 1HD1 LEU 12 1HD1 LEU 12 -0.654 -1.497 4.475 96 2HD1 LEU 12 2HD1 LEU 12 0.919 -1.007 5.103 97 3HD1 LEU 12 3HD1 LEU 12 -0.511 -0.039 5.458 98 1HD2 LEU 12 1HD2 LEU 12 -0.209 -0.468 8.187 99 2HD2 LEU 12 2HD2 LEU 12 -1.566 -1.578 8.346 100 3HD2 LEU 12 3HD2 LEU 12 -1.648 -0.246 7.196 101 H HIS 13 H HIS 13 -4.054 -4.124 7.405 102 HA HIS 13 HA HIS 13 -4.039 -7.090 7.035 103 1HB HIS 13 2HB HIS 13 -5.882 -5.008 8.136 104 2HB HIS 13 1HB HIS 13 -6.613 -6.459 7.453 105 HD1 HIS 13 1HD HIS 13 -6.998 -8.182 9.208 106 HD2 HIS 13 2HD HIS 13 -3.546 -5.969 9.973 107 HE1 HIS 13 1HE HIS 13 -6.010 -9.109 11.348 108 H LYS 14 H LYS 14 -4.469 -7.895 5.002 109 HA LYS 14 HA LYS 14 -5.891 -6.103 3.054 110 1HB LYS 14 2HB LYS 14 -3.292 -7.212 3.008 111 2HB LYS 14 1HB LYS 14 -4.229 -8.137 1.835 112 1HG LYS 14 2HG LYS 14 -4.164 -5.107 1.934 113 2HG LYS 14 1HG LYS 14 -3.149 -6.079 0.869 114 1HD LYS 14 2HD LYS 14 -5.622 -7.146 0.361 115 2HD LYS 14 1HD LYS 14 -6.031 -5.458 0.669 116 1HE LYS 14 2HE LYS 14 -4.011 -4.947 -0.940 117 2HE LYS 14 1HE LYS 14 -4.280 -6.610 -1.494 118 1HZ LYS 14 1HZ LYS 14 -5.701 -5.265 -2.789 119 2HZ LYS 14 2HZ LYS 14 -6.227 -4.369 -1.443 120 3HZ LYS 14 3HZ LYS 14 -6.709 -5.990 -1.631 121 H ARG 15 H ARG 15 -7.616 -7.010 1.963 122 HA ARG 15 HA ARG 15 -8.757 -9.509 2.906 123 1HB ARG 15 2HB ARG 15 -9.920 -7.387 2.091 124 2HB ARG 15 1HB ARG 15 -9.485 -7.880 0.457 125 1HG ARG 15 2HG ARG 15 -10.601 -10.179 1.575 126 2HG ARG 15 1HG ARG 15 -11.618 -8.871 2.182 127 1HD ARG 15 2HD ARG 15 -12.663 -9.214 0.142 128 2HD ARG 15 1HD ARG 15 -11.411 -8.081 -0.395 129 HE ARG 15 HE ARG 15 -11.252 -11.052 -0.639 130 1HH1 ARG 15 1HH2 ARG 15 -10.044 -7.868 -1.411 131 2HH1 ARG 15 2HH2 ARG 15 -8.975 -8.456 -2.634 132 1HH2 ARG 15 1HH1 ARG 15 -9.860 -11.781 -2.231 133 2HH2 ARG 15 2HH1 ARG 15 -8.867 -10.654 -3.095 134 H GLY 16 H GLY 16 -8.430 -11.542 2.052 135 1HA GLY 16 2HA GLY 16 -8.205 -12.331 -0.589 136 2HA GLY 16 1HA GLY 16 -6.552 -11.907 -0.149 137 H GLU 17 H GLU 17 -5.658 -13.962 -0.095 138 HA GLU 17 HA GLU 17 -5.061 -16.025 0.875 139 1HB GLU 17 2HB GLU 17 -6.186 -14.391 2.914 140 2HB GLU 17 1HB GLU 17 -6.850 -16.008 3.140 141 1HG GLU 17 2HG GLU 17 -4.863 -16.183 4.338 142 2HG GLU 17 1HG GLU 17 -4.348 -16.762 2.754 143 H TYR 18 H TYR 18 -6.108 -18.179 1.547 144 HA TYR 18 HA TYR 18 -8.105 -18.961 -0.351 145 1HB TYR 18 2HB TYR 18 -7.908 -21.106 0.728 146 2HB TYR 18 1HB TYR 18 -6.315 -20.357 0.805 147 HD1 TYR 18 1HD TYR 18 -5.439 -19.458 2.931 148 HD2 TYR 18 2HD TYR 18 -9.270 -21.393 2.725 149 HE1 TYR 18 1HE TYR 18 -5.476 -19.650 5.402 150 HE2 TYR 18 2HE TYR 18 -9.305 -21.585 5.197 151 HH TYR 18 HH TYR 18 -7.109 -21.614 7.069 152 H ILE 19 H ILE 19 -8.377 -17.727 2.934 153 HA ILE 19 HA ILE 19 -11.218 -18.535 3.155 154 HB ILE 19 HB ILE 19 -9.585 -18.708 5.031 155 1HG1 ILE 19 2HG1 ILE 19 -11.720 -16.639 5.623 156 2HG1 ILE 19 1HG1 ILE 19 -12.069 -18.352 5.388 157 1HG2 ILE 19 1HG2 ILE 19 -9.388 -15.755 4.516 158 2HG2 ILE 19 2HG2 ILE 19 -8.107 -16.916 4.864 159 3HG2 ILE 19 3HG2 ILE 19 -9.167 -16.360 6.158 160 1HD1 ILE 19 1HD1 ILE 19 -10.546 -17.018 7.608 161 2HD1 ILE 19 2HD1 ILE 19 -10.196 -18.698 7.199 162 3HD1 ILE 19 3HD1 ILE 19 -11.820 -18.233 7.708 163 H LYS 20 H LYS 20 -9.596 -15.972 1.689 164 HA LYS 20 HA LYS 20 -10.263 -13.830 0.970 165 1HB LYS 20 2HB LYS 20 -12.144 -15.456 0.259 166 2HB LYS 20 1HB LYS 20 -13.058 -14.787 1.609 167 1HG LYS 20 2HG LYS 20 -12.066 -12.527 0.336 168 2HG LYS 20 1HG LYS 20 -12.470 -13.602 -1.003 169 1HD LYS 20 2HD LYS 20 -14.509 -13.563 1.114 170 2HD LYS 20 1HD LYS 20 -14.270 -11.995 0.346 171 1HE LYS 20 2HE LYS 20 -15.972 -13.211 -0.914 172 2HE LYS 20 1HE LYS 20 -14.499 -13.155 -1.900 173 1HZ LYS 20 1HZ LYS 20 -13.951 -15.329 -1.366 174 2HZ LYS 20 2HZ LYS 20 -15.638 -15.422 -1.536 175 3HZ LYS 20 3HZ LYS 20 -14.942 -15.366 0.011 176 H THR 21 H THR 21 -9.296 -13.516 3.403 177 HA THR 21 HA THR 21 -11.290 -11.789 4.826 178 HB THR 21 HB THR 21 -9.261 -13.545 6.223 179 HG1 THR 21 1HG THR 21 -11.943 -14.184 5.541 180 1HG2 THR 21 1HG2 THR 21 -10.112 -12.020 7.763 181 2HG2 THR 21 2HG2 THR 21 -11.229 -13.369 7.955 182 3HG2 THR 21 3HG2 THR 21 -11.697 -11.969 6.991 183 H TRP 22 H TRP 22 -10.077 -10.330 6.444 184 HA TRP 22 HA TRP 22 -7.807 -9.049 5.067 185 1HB TRP 22 2HB TRP 22 -9.284 -8.406 7.646 186 2HB TRP 22 1HB TRP 22 -8.172 -7.327 6.811 187 HD1 TRP 22 HD TRP 22 -11.685 -8.751 6.633 188 HE1 TRP 22 1HE TRP 22 -13.025 -7.473 4.843 189 HE3 TRP 22 3HE TRP 22 -7.941 -5.979 4.544 190 HZ2 TRP 22 2HZ TRP 22 -12.572 -5.529 2.799 191 HZ3 TRP 22 3HZ TRP 22 -8.425 -4.420 2.680 192 HH2 TRP 22 HH TRP 22 -10.733 -4.192 1.808 193 H ARG 23 H ARG 23 -5.936 -10.294 5.383 194 HA ARG 23 HA ARG 23 -5.289 -11.230 8.141 195 1HB ARG 23 2HB ARG 23 -5.003 -12.227 5.490 196 2HB ARG 23 1HB ARG 23 -3.375 -11.951 6.109 197 1HG ARG 23 2HG ARG 23 -4.402 -13.133 8.273 198 2HG ARG 23 1HG ARG 23 -5.477 -13.843 7.069 199 1HD ARG 23 2HD ARG 23 -3.779 -15.054 6.072 200 2HD ARG 23 1HD ARG 23 -2.556 -13.822 6.432 201 HE ARG 23 HE ARG 23 -2.357 -14.689 8.660 202 1HH1 ARG 23 1HH2 ARG 23 -4.811 -16.318 6.790 203 2HH1 ARG 23 2HH2 ARG 23 -4.941 -17.636 7.900 204 1HH2 ARG 23 1HH1 ARG 23 -2.549 -16.411 10.096 205 2HH2 ARG 23 2HH1 ARG 23 -3.670 -17.688 9.766 206 HA PRO 24 HA PRO 24 -2.335 -7.986 8.634 207 1HB PRO 24 2HB PRO 24 -0.663 -9.172 10.455 208 2HB PRO 24 1HB PRO 24 -2.268 -8.542 10.878 209 1HG PRO 24 2HG PRO 24 -1.414 -11.343 10.354 210 2HG PRO 24 1HG PRO 24 -2.551 -10.715 11.558 211 1HD PRO 24 2HD PRO 24 -3.331 -11.911 9.238 212 2HD PRO 24 1HD PRO 24 -4.300 -10.683 10.082 213 H ARG 25 H ARG 25 -0.684 -7.463 7.276 214 HA ARG 25 HA ARG 25 1.398 -9.500 6.597 215 1HB ARG 25 2HB ARG 25 -0.659 -8.219 4.908 216 2HB ARG 25 1HB ARG 25 0.972 -8.128 4.245 217 1HG ARG 25 2HG ARG 25 1.018 -10.697 4.938 218 2HG ARG 25 1HG ARG 25 -0.729 -10.531 4.769 219 1HD ARG 25 2HD ARG 25 0.622 -9.220 2.555 220 2HD ARG 25 1HD ARG 25 1.114 -10.916 2.670 221 HE ARG 25 HE ARG 25 -1.714 -9.968 2.443 222 1HH1 ARG 25 1HH2 ARG 25 0.656 -12.529 2.357 223 2HH1 ARG 25 2HH2 ARG 25 -0.443 -13.675 1.683 224 1HH2 ARG 25 1HH1 ARG 25 -3.122 -11.488 1.565 225 2HH2 ARG 25 2HH1 ARG 25 -2.568 -13.096 1.246 226 H TYR 26 H TYR 26 3.459 -8.555 6.223 227 HA TYR 26 HA TYR 26 3.900 -5.894 7.309 228 1HB TYR 26 2HB TYR 26 5.388 -8.062 7.230 229 2HB TYR 26 1HB TYR 26 5.868 -7.465 5.644 230 HD1 TYR 26 1HD TYR 26 7.900 -7.783 7.710 231 HD2 TYR 26 2HD TYR 26 5.270 -4.461 6.981 232 HE1 TYR 26 1HE TYR 26 9.528 -6.254 8.783 233 HE2 TYR 26 2HE TYR 26 6.901 -2.937 8.056 234 HH TYR 26 HH TYR 26 9.624 -3.098 8.406 235 H PHE 27 H PHE 27 3.118 -4.197 6.082 236 HA PHE 27 HA PHE 27 3.485 -4.256 3.123 237 1HB PHE 27 2HB PHE 27 1.620 -3.072 5.087 238 2HB PHE 27 1HB PHE 27 2.015 -2.027 3.721 239 HD1 PHE 27 1HD PHE 27 0.874 -5.482 4.583 240 HD2 PHE 27 2HD PHE 27 1.047 -2.396 1.600 241 HE1 PHE 27 1HE PHE 27 -0.630 -6.808 3.124 242 HE2 PHE 27 2HE PHE 27 -0.457 -3.721 0.142 243 HZ PHE 27 HZ PHE 27 -1.294 -5.927 0.904 244 H LEU 28 H LEU 28 4.891 -2.854 2.115 245 HA LEU 28 HA LEU 28 6.195 -0.725 3.790 246 1HB LEU 28 2HB LEU 28 7.424 -2.637 1.772 247 2HB LEU 28 1HB LEU 28 8.297 -1.350 2.603 248 HG LEU 28 HG LEU 28 7.096 -2.672 4.701 249 1HD1 LEU 28 1HD1 LEU 28 7.537 -5.075 4.326 250 2HD1 LEU 28 2HD1 LEU 28 7.988 -4.731 2.656 251 3HD1 LEU 28 3HD1 LEU 28 6.328 -4.472 3.192 252 1HD2 LEU 28 1HD2 LEU 28 9.329 -3.447 5.217 253 2HD2 LEU 28 2HD2 LEU 28 9.481 -1.882 4.419 254 3HD2 LEU 28 3HD2 LEU 28 9.802 -3.365 3.520 255 H LEU 29 H LEU 29 6.036 1.270 2.844 256 HA LEU 29 HA LEU 29 5.192 1.453 -0.017 257 1HB LEU 29 2HB LEU 29 3.860 2.559 1.755 258 2HB LEU 29 1HB LEU 29 5.285 3.469 2.256 259 HG LEU 29 HG LEU 29 5.357 4.267 -0.228 260 1HD1 LEU 29 1HD1 LEU 29 3.514 2.559 -0.814 261 2HD1 LEU 29 2HD1 LEU 29 3.326 4.194 -1.447 262 3HD1 LEU 29 3HD1 LEU 29 2.400 3.684 -0.036 263 1HD2 LEU 29 1HD2 LEU 29 4.523 5.436 2.026 264 2HD2 LEU 29 2HD2 LEU 29 2.967 5.363 1.198 265 3HD2 LEU 29 3HD2 LEU 29 4.322 6.217 0.457 266 H LYS 30 H LYS 30 6.624 2.254 -1.549 267 HA LYS 30 HA LYS 30 9.328 3.099 -0.603 268 1HB LYS 30 2HB LYS 30 8.145 1.663 -2.888 269 2HB LYS 30 1HB LYS 30 9.421 2.793 -3.337 270 1HG LYS 30 2HG LYS 30 10.837 1.754 -1.502 271 2HG LYS 30 1HG LYS 30 9.602 0.501 -1.369 272 1HD LYS 30 2HD LYS 30 10.779 1.168 -4.056 273 2HD LYS 30 1HD LYS 30 11.653 0.106 -2.952 274 1HE LYS 30 2HE LYS 30 10.374 -1.558 -3.864 275 2HE LYS 30 1HE LYS 30 9.077 -0.914 -2.839 276 1HZ LYS 30 1HZ LYS 30 8.665 -1.045 -5.358 277 2HZ LYS 30 2HZ LYS 30 9.684 0.310 -5.462 278 3HZ LYS 30 3HZ LYS 30 8.248 0.391 -4.557 279 H SER 31 H SER 31 10.401 4.807 -2.009 280 HA SER 31 HA SER 31 8.768 7.222 -2.111 281 1HB SER 31 2HB SER 31 11.425 6.584 -1.785 282 2HB SER 31 1HB SER 31 11.406 7.187 -3.439 283 HG SER 31 HG SER 31 10.452 9.086 -2.687 284 H ASP 32 H ASP 32 9.171 4.660 -4.300 285 HA ASP 32 HA ASP 32 9.051 6.252 -6.777 286 1HB ASP 32 2HB ASP 32 10.318 4.206 -6.767 287 2HB ASP 32 1HB ASP 32 8.988 3.311 -6.040 288 H GLY 33 H GLY 33 6.791 5.411 -4.422 289 1HA GLY 33 2HA GLY 33 4.451 5.830 -4.507 290 2HA GLY 33 1HA GLY 33 4.555 5.931 -6.267 291 H SER 34 H SER 34 5.818 3.312 -4.249 292 HA SER 34 HA SER 34 3.748 1.482 -5.411 293 1HB SER 34 2HB SER 34 5.826 -0.142 -5.404 294 2HB SER 34 1HB SER 34 5.630 1.017 -6.714 295 HG SER 34 HG SER 34 7.378 1.989 -6.065 296 H PHE 35 H PHE 35 3.200 -0.307 -4.068 297 HA PHE 35 HA PHE 35 4.125 -0.094 -1.217 298 1HB PHE 35 2HB PHE 35 1.602 0.286 -2.357 299 2HB PHE 35 1HB PHE 35 1.525 -1.348 -1.700 300 HD1 PHE 35 1HD PHE 35 3.183 -1.266 0.677 301 HD2 PHE 35 2HD PHE 35 0.519 1.725 -0.875 302 HE1 PHE 35 1HE PHE 35 2.900 -0.336 2.955 303 HE2 PHE 35 2HE PHE 35 0.236 2.656 1.405 304 HZ PHE 35 HZ PHE 35 1.426 1.627 3.323 305 H ILE 36 H ILE 36 5.007 -1.954 -0.394 306 HA ILE 36 HA ILE 36 4.812 -4.464 -2.022 307 HB ILE 36 HB ILE 36 6.738 -3.588 0.167 308 1HG1 ILE 36 2HG1 ILE 36 7.063 -2.167 -1.759 309 2HG1 ILE 36 1HG1 ILE 36 8.348 -3.373 -1.779 310 1HG2 ILE 36 1HG2 ILE 36 6.762 -5.953 0.114 311 2HG2 ILE 36 2HG2 ILE 36 8.118 -5.479 -0.908 312 3HG2 ILE 36 3HG2 ILE 36 6.600 -6.000 -1.641 313 1HD1 ILE 36 1HD1 ILE 36 5.998 -3.074 -3.598 314 2HD1 ILE 36 2HD1 ILE 36 6.558 -4.710 -3.249 315 3HD1 ILE 36 3HD1 ILE 36 7.657 -3.538 -3.974 316 H GLY 37 H GLY 37 3.543 -6.081 -1.178 317 1HA GLY 37 2HA GLY 37 2.840 -5.942 1.728 318 2HA GLY 37 1HA GLY 37 1.797 -6.642 0.489 319 H TYR 38 H TYR 38 4.103 -7.356 2.847 320 HA TYR 38 HA TYR 38 4.897 -9.940 1.568 321 1HB TYR 38 2HB TYR 38 6.192 -7.986 3.137 322 2HB TYR 38 1HB TYR 38 5.998 -9.380 4.198 323 HD1 TYR 38 1HD TYR 38 6.706 -11.691 3.277 324 HD2 TYR 38 2HD TYR 38 7.891 -7.963 1.496 325 HE1 TYR 38 1HE TYR 38 8.586 -12.832 2.135 326 HE2 TYR 38 2HE TYR 38 9.771 -9.109 0.354 327 HH TYR 38 HH TYR 38 11.158 -11.284 0.842 328 H LYS 39 H LYS 39 4.258 -11.911 2.484 329 HA LYS 39 HA LYS 39 1.891 -11.976 4.149 330 1HB LYS 39 2HB LYS 39 2.686 -13.619 2.367 331 2HB LYS 39 1HB LYS 39 3.844 -14.213 3.555 332 1HG LYS 39 2HG LYS 39 1.989 -14.737 5.103 333 2HG LYS 39 1HG LYS 39 0.830 -14.154 3.907 334 1HD LYS 39 2HD LYS 39 0.861 -16.497 3.578 335 2HD LYS 39 1HD LYS 39 1.906 -15.870 2.303 336 1HE LYS 39 2HE LYS 39 3.870 -16.249 3.920 337 2HE LYS 39 1HE LYS 39 2.733 -17.198 4.897 338 1HZ LYS 39 1HZ LYS 39 4.000 -18.461 3.121 339 2HZ LYS 39 2HZ LYS 39 3.054 -17.631 1.979 340 3HZ LYS 39 3HZ LYS 39 2.315 -18.653 3.118 341 H GLU 40 H GLU 40 5.355 -12.331 4.804 342 HA GLU 40 HA GLU 40 4.837 -12.104 7.717 343 1HB GLU 40 2HB GLU 40 4.754 -14.530 7.076 344 2HB GLU 40 1HB GLU 40 6.394 -14.386 6.446 345 1HG GLU 40 2HG GLU 40 6.448 -15.308 8.717 346 2HG GLU 40 1HG GLU 40 7.179 -13.705 8.706 347 H ARG 41 H ARG 41 6.878 -11.594 8.887 348 HA ARG 41 HA ARG 41 8.552 -9.693 7.595 349 1HB ARG 41 2HB ARG 41 8.095 -10.698 10.158 350 2HB ARG 41 1HB ARG 41 9.787 -11.092 9.852 351 1HG ARG 41 2HG ARG 41 10.075 -8.680 9.073 352 2HG ARG 41 1HG ARG 41 8.474 -8.368 9.745 353 1HD ARG 41 2HD ARG 41 9.206 -8.541 11.921 354 2HD ARG 41 1HD ARG 41 10.410 -9.783 11.522 355 HE ARG 41 HE ARG 41 10.966 -7.158 10.332 356 1HH1 ARG 41 1HH2 ARG 41 11.403 -9.251 13.081 357 2HH1 ARG 41 2HH2 ARG 41 12.860 -8.471 13.590 358 1HH2 ARG 41 1HH1 ARG 41 12.862 -6.155 11.005 359 2HH2 ARG 41 2HH1 ARG 41 13.683 -6.722 12.418 360 HA PRO 42 HA PRO 42 11.073 -12.837 5.563 361 1HB PRO 42 2HB PRO 42 11.891 -11.252 3.510 362 2HB PRO 42 1HB PRO 42 10.304 -12.041 3.546 363 1HG PRO 42 2HG PRO 42 11.003 -9.212 3.956 364 2HG PRO 42 1HG PRO 42 9.486 -9.932 3.410 365 1HD PRO 42 2HD PRO 42 10.087 -8.955 5.997 366 2HD PRO 42 1HD PRO 42 8.627 -9.827 5.487 367 H GLU 43 H GLU 43 13.341 -13.138 5.461 368 HA GLU 43 HA GLU 43 15.280 -11.030 5.643 369 1HB GLU 43 2HB GLU 43 13.914 -11.436 8.004 370 2HB GLU 43 1HB GLU 43 15.316 -12.481 8.223 371 1HG GLU 43 2HG GLU 43 15.636 -9.646 7.245 372 2HG GLU 43 1HG GLU 43 15.530 -10.007 8.968 373 H ALA 44 H ALA 44 14.739 -14.322 6.951 374 HA ALA 44 HA ALA 44 15.908 -16.344 6.618 375 1HB ALA 44 1HB ALA 44 17.299 -15.187 4.241 376 2HB ALA 44 2HB ALA 44 15.537 -15.240 4.198 377 3HB ALA 44 3HB ALA 44 16.459 -16.728 4.406 378 HA PRO 45 HA PRO 45 19.929 -15.775 8.311 379 1HB PRO 45 2HB PRO 45 21.240 -18.036 7.488 380 2HB PRO 45 1HB PRO 45 19.988 -18.047 8.745 381 1HG PRO 45 2HG PRO 45 19.800 -18.818 5.880 382 2HG PRO 45 1HG PRO 45 19.027 -19.542 7.298 383 1HD PRO 45 2HD PRO 45 17.747 -17.869 5.550 384 2HD PRO 45 1HD PRO 45 17.275 -18.077 7.251 385 H ASP 46 H ASP 46 20.039 -16.918 4.916 386 HA ASP 46 HA ASP 46 21.838 -14.692 4.188 387 1HB ASP 46 2HB ASP 46 23.069 -16.843 5.134 388 2HB ASP 46 1HB ASP 46 22.741 -17.484 3.524 389 H GLN 47 H GLN 47 19.456 -14.641 3.179 390 HA GLN 47 HA GLN 47 19.706 -15.254 0.354 391 1HB GLN 47 2HB GLN 47 19.244 -17.504 1.069 392 2HB GLN 47 1HB GLN 47 17.982 -16.964 2.174 393 1HG GLN 47 2HG GLN 47 16.916 -17.905 0.209 394 2HG GLN 47 1HG GLN 47 16.671 -16.159 0.182 395 1HE2 GLN 47 1HE2 GLN 47 16.958 -15.365 -1.906 396 2HE2 GLN 47 2HE2 GLN 47 18.116 -15.928 -3.014 397 H THR 48 H THR 48 19.027 -13.110 0.008 398 HA THR 48 HA THR 48 16.737 -11.922 1.346 399 HB THR 48 HB THR 48 18.579 -10.584 0.457 400 HG1 THR 48 1HG THR 48 16.990 -9.237 0.238 401 1HG2 THR 48 1HG2 THR 48 18.440 -10.459 -2.235 402 2HG2 THR 48 2HG2 THR 48 17.986 -12.146 -1.997 403 3HG2 THR 48 3HG2 THR 48 19.528 -11.552 -1.382 404 H LEU 49 H LEU 49 14.617 -11.651 0.519 405 HA LEU 49 HA LEU 49 13.939 -13.353 -1.861 406 1HB LEU 49 2HB LEU 49 12.631 -12.891 0.819 407 2HB LEU 49 1HB LEU 49 11.702 -13.515 -0.543 408 HG LEU 49 HG LEU 49 14.129 -14.990 -0.467 409 1HD1 LEU 49 1HD1 LEU 49 14.327 -14.201 1.889 410 2HD1 LEU 49 2HD1 LEU 49 14.078 -15.943 1.784 411 3HD1 LEU 49 3HD1 LEU 49 12.738 -14.887 2.227 412 1HD2 LEU 49 1HD2 LEU 49 11.351 -15.788 0.457 413 2HD2 LEU 49 2HD2 LEU 49 12.617 -16.872 -0.120 414 3HD2 LEU 49 3HD2 LEU 49 11.860 -15.729 -1.231 415 HA PRO 50 HA PRO 50 12.136 -9.741 -3.636 416 1HB PRO 50 2HB PRO 50 10.295 -10.922 -5.288 417 2HB PRO 50 1HB PRO 50 12.038 -10.919 -5.626 418 1HG PRO 50 2HG PRO 50 10.337 -13.076 -4.478 419 2HG PRO 50 1HG PRO 50 11.673 -13.188 -5.633 420 1HD PRO 50 2HD PRO 50 11.930 -13.781 -2.990 421 2HD PRO 50 1HD PRO 50 13.268 -13.176 -3.991 422 HA PRO 51 HA PRO 51 8.451 -8.786 -1.432 423 1HB PRO 51 2HB PRO 51 7.022 -7.268 -3.213 424 2HB PRO 51 1HB PRO 51 8.471 -6.680 -2.372 425 1HG PRO 51 2HG PRO 51 8.200 -7.752 -5.143 426 2HG PRO 51 1HG PRO 51 9.137 -6.366 -4.557 427 1HD PRO 51 2HD PRO 51 10.277 -8.752 -5.100 428 2HD PRO 51 1HD PRO 51 10.873 -7.683 -3.811 429 H LEU 52 H LEU 52 6.701 -10.058 -0.971 430 HA LEU 52 HA LEU 52 5.721 -12.115 -2.697 431 1HB LEU 52 2HB LEU 52 5.608 -12.057 -0.209 432 2HB LEU 52 1HB LEU 52 4.417 -10.760 -0.309 433 HG LEU 52 HG LEU 52 3.512 -12.842 -2.022 434 1HD1 LEU 52 1HD1 LEU 52 3.709 -14.816 -0.875 435 2HD1 LEU 52 2HD1 LEU 52 3.711 -14.023 0.699 436 3HD1 LEU 52 3HD1 LEU 52 5.181 -14.053 -0.274 437 1HD2 LEU 52 1HD2 LEU 52 1.563 -12.713 -0.677 438 2HD2 LEU 52 2HD2 LEU 52 2.278 -11.106 -0.554 439 3HD2 LEU 52 3HD2 LEU 52 2.481 -12.265 0.760 440 H ASN 53 H ASN 53 4.162 -9.021 -1.733 441 HA ASN 53 HA ASN 53 2.514 -9.188 -4.239 442 1HB ASN 53 2HB ASN 53 1.805 -9.047 -1.458 443 2HB ASN 53 1HB ASN 53 1.285 -7.556 -2.242 444 1HD2 ASN 53 1HD2 ASN 53 1.307 -11.084 -3.077 445 2HD2 ASN 53 2HD2 ASN 53 -0.275 -11.085 -3.691 446 H ASN 54 H ASN 54 2.680 -7.396 -5.563 447 HA ASN 54 HA ASN 54 4.108 -4.996 -4.451 448 1HB ASN 54 2HB ASN 54 5.066 -6.673 -6.289 449 2HB ASN 54 1HB ASN 54 4.073 -5.693 -7.368 450 1HD2 ASN 54 1HD2 ASN 54 4.443 -3.205 -7.103 451 2HD2 ASN 54 2HD2 ASN 54 6.037 -2.701 -6.803 452 H PHE 55 H PHE 55 2.927 -3.148 -4.480 453 HA PHE 55 HA PHE 55 0.516 -2.978 -6.268 454 1HB PHE 55 2HB PHE 55 1.210 -1.758 -3.574 455 2HB PHE 55 1HB PHE 55 -0.232 -1.328 -4.492 456 HD1 PHE 55 1HD PHE 55 1.360 -3.841 -2.377 457 HD2 PHE 55 2HD PHE 55 -1.981 -3.052 -4.961 458 HE1 PHE 55 1HE PHE 55 0.180 -5.820 -1.458 459 HE2 PHE 55 2HE PHE 55 -3.159 -5.032 -4.042 460 HZ PHE 55 HZ PHE 55 -2.077 -6.417 -2.292 461 H SER 56 H SER 56 0.399 -1.191 -7.656 462 HA SER 56 HA SER 56 2.634 0.816 -7.476 463 1HB SER 56 2HB SER 56 1.143 -0.136 -9.942 464 2HB SER 56 1HB SER 56 2.605 0.844 -9.901 465 HG SER 56 HG SER 56 3.762 -0.892 -9.500 466 H VAL 57 H VAL 57 1.846 2.832 -6.951 467 HA VAL 57 HA VAL 57 -1.026 3.404 -7.497 468 HB VAL 57 HB VAL 57 0.366 3.651 -5.234 469 1HG1 VAL 57 1HG1 VAL 57 0.759 6.339 -6.583 470 2HG1 VAL 57 2HG1 VAL 57 2.037 5.217 -6.122 471 3HG1 VAL 57 3HG1 VAL 57 1.064 5.999 -4.881 472 1HG2 VAL 57 1HG2 VAL 57 -1.711 5.595 -6.270 473 2HG2 VAL 57 2HG2 VAL 57 -1.248 5.465 -4.574 474 3HG2 VAL 57 3HG2 VAL 57 -2.003 4.095 -5.389 475 H ALA 58 H ALA 58 2.212 4.872 -8.017 476 HA ALA 58 HA ALA 58 2.832 6.718 -9.396 477 1HB ALA 58 1HB ALA 58 2.393 6.045 -11.744 478 2HB ALA 58 2HB ALA 58 1.176 4.900 -11.179 479 3HB ALA 58 3HB ALA 58 2.873 4.664 -10.759 480 H GLU 59 H GLU 59 1.077 8.035 -8.045 481 HA GLU 59 HA GLU 59 -0.450 9.832 -8.125 482 1HB GLU 59 2HB GLU 59 0.861 9.953 -10.441 483 2HB GLU 59 1HB GLU 59 -0.710 9.488 -11.094 484 1HG GLU 59 2HG GLU 59 -0.381 11.789 -9.158 485 2HG GLU 59 1HG GLU 59 -0.278 12.001 -10.905 486 H CYS 60 H CYS 60 -2.273 8.970 -7.142 487 HA CYS 60 HA CYS 60 -4.465 8.043 -8.898 488 1HB CYS 60 2HB CYS 60 -2.916 6.095 -8.249 489 2HB CYS 60 1HB CYS 60 -3.503 6.319 -6.602 490 H GLN 61 H GLN 61 -6.499 7.672 -7.486 491 HA GLN 61 HA GLN 61 -6.616 9.811 -5.429 492 1HB GLN 61 2HB GLN 61 -8.222 9.619 -7.356 493 2HB GLN 61 1HB GLN 61 -8.788 8.096 -6.674 494 1HG GLN 61 2HG GLN 61 -8.759 10.157 -4.639 495 2HG GLN 61 1HG GLN 61 -9.707 10.679 -6.032 496 1HE2 GLN 61 1HE2 GLN 61 -9.678 8.547 -3.283 497 2HE2 GLN 61 2HE2 GLN 61 -11.156 7.778 -3.606 498 H LEU 62 H LEU 62 -6.702 9.331 -3.272 499 HA LEU 62 HA LEU 62 -7.429 6.539 -2.437 500 1HB LEU 62 2HB LEU 62 -4.956 7.033 -2.486 501 2HB LEU 62 1HB LEU 62 -5.236 8.303 -1.297 502 HG LEU 62 HG LEU 62 -6.481 5.791 -0.493 503 1HD1 LEU 62 1HD1 LEU 62 -3.553 5.831 -1.209 504 2HD1 LEU 62 2HD1 LEU 62 -4.753 4.586 -1.549 505 3HD1 LEU 62 3HD1 LEU 62 -4.151 4.804 0.094 506 1HD2 LEU 62 1HD2 LEU 62 -5.687 8.016 0.759 507 2HD2 LEU 62 2HD2 LEU 62 -4.203 7.083 0.955 508 3HD2 LEU 62 3HD2 LEU 62 -5.726 6.461 1.590 509 H MET 63 H MET 63 -8.562 6.415 -0.440 510 HA MET 63 HA MET 63 -9.103 8.932 1.050 511 1HB MET 63 2HB MET 63 -11.504 8.721 0.723 512 2HB MET 63 1HB MET 63 -10.729 8.712 -0.859 513 1HG MET 63 2HG MET 63 -10.800 6.203 -0.821 514 2HG MET 63 1HG MET 63 -11.715 6.294 0.684 515 1HE MET 63 1HE MET 63 -14.931 5.664 -0.775 516 2HE MET 63 2HE MET 63 -14.419 6.510 0.682 517 3HE MET 63 3HE MET 63 -13.517 5.103 0.128 518 H LYS 64 H LYS 64 -9.862 8.537 3.198 519 HA LYS 64 HA LYS 64 -9.325 5.805 4.208 520 1HB LYS 64 2HB LYS 64 -9.303 6.907 6.367 521 2HB LYS 64 1HB LYS 64 -8.424 7.933 5.235 522 1HG LYS 64 2HG LYS 64 -10.825 9.021 4.883 523 2HG LYS 64 1HG LYS 64 -11.111 8.357 6.491 524 1HD LYS 64 2HD LYS 64 -10.212 10.384 7.111 525 2HD LYS 64 1HD LYS 64 -8.714 9.467 6.947 526 1HE LYS 64 2HE LYS 64 -8.329 10.344 4.725 527 2HE LYS 64 1HE LYS 64 -9.936 11.095 4.690 528 1HZ LYS 64 1HZ LYS 64 -8.021 12.584 5.377 529 2HZ LYS 64 2HZ LYS 64 -7.961 11.691 6.820 530 3HZ LYS 64 3HZ LYS 64 -9.364 12.562 6.412 531 H THR 65 H THR 65 -10.914 4.621 5.461 532 HA THR 65 HA THR 65 -13.698 5.632 5.507 533 HB THR 65 HB THR 65 -13.296 4.663 3.247 534 HG1 THR 65 1HG THR 65 -15.133 3.449 3.274 535 1HG2 THR 65 1HG2 THR 65 -12.272 2.674 2.924 536 2HG2 THR 65 2HG2 THR 65 -13.229 1.885 4.176 537 3HG2 THR 65 3HG2 THR 65 -11.780 2.788 4.612 538 H GLU 66 H GLU 66 -15.150 3.730 6.422 539 HA GLU 66 HA GLU 66 -13.625 2.325 8.598 540 1HB GLU 66 2HB GLU 66 -16.427 3.483 8.699 541 2HB GLU 66 1HB GLU 66 -15.488 2.868 10.056 542 1HG GLU 66 2HG GLU 66 -13.757 4.657 9.507 543 2HG GLU 66 1HG GLU 66 -14.955 5.352 8.415 544 H ARG 67 H ARG 67 -14.705 1.440 5.841 545 HA ARG 67 HA ARG 67 -16.141 -0.980 6.843 546 1HB ARG 67 2HB ARG 67 -16.951 1.011 4.726 547 2HB ARG 67 1HB ARG 67 -17.532 -0.652 4.653 548 1HG ARG 67 2HG ARG 67 -18.817 -0.439 6.561 549 2HG ARG 67 1HG ARG 67 -17.763 0.788 7.263 550 1HD ARG 67 2HD ARG 67 -19.154 1.558 4.742 551 2HD ARG 67 1HD ARG 67 -20.167 1.408 6.190 552 HE ARG 67 HE ARG 67 -18.028 3.382 5.782 553 1HH1 ARG 67 1HH2 ARG 67 -19.982 1.634 8.075 554 2HH1 ARG 67 2HH2 ARG 67 -19.823 2.838 9.306 555 1HH2 ARG 67 1HH1 ARG 67 -17.830 4.942 7.398 556 2HH2 ARG 67 2HH1 ARG 67 -18.601 4.702 8.927 557 HA PRO 68 HA PRO 68 -16.919 -2.796 5.920 558 1HB PRO 68 2HB PRO 68 -15.853 -5.281 6.335 559 2HB PRO 68 1HB PRO 68 -16.640 -4.800 4.819 560 1HG PRO 68 2HG PRO 68 -13.744 -4.978 5.473 561 2HG PRO 68 1HG PRO 68 -14.592 -5.408 3.980 562 1HD PRO 68 2HD PRO 68 -13.177 -3.103 4.290 563 2HD PRO 68 1HD PRO 68 -14.562 -3.262 3.190 564 H ARG 69 H ARG 69 -13.586 -2.462 6.917 565 HA ARG 69 HA ARG 69 -14.409 -2.865 9.780 566 1HB ARG 69 2HB ARG 69 -11.735 -3.248 8.394 567 2HB ARG 69 1HB ARG 69 -12.003 -3.454 10.121 568 1HG ARG 69 2HG ARG 69 -13.669 -4.977 8.124 569 2HG ARG 69 1HG ARG 69 -12.078 -5.567 8.601 570 1HD ARG 69 2HD ARG 69 -14.317 -4.904 10.552 571 2HD ARG 69 1HD ARG 69 -13.889 -6.542 10.023 572 HE ARG 69 HE ARG 69 -12.320 -4.856 11.844 573 1HH1 ARG 69 1HH2 ARG 69 -12.306 -7.526 9.607 574 2HH1 ARG 69 2HH2 ARG 69 -10.890 -8.242 10.292 575 1HH2 ARG 69 1HH1 ARG 69 -10.474 -5.798 12.719 576 2HH2 ARG 69 2HH1 ARG 69 -9.853 -7.268 12.048 577 HA PRO 70 HA PRO 70 -13.291 1.311 10.560 578 1HB PRO 70 2HB PRO 70 -12.045 1.158 12.998 579 2HB PRO 70 1HB PRO 70 -13.799 0.982 12.788 580 1HG PRO 70 2HG PRO 70 -11.713 -1.122 13.118 581 2HG PRO 70 1HG PRO 70 -13.337 -1.026 13.818 582 1HD PRO 70 2HD PRO 70 -12.755 -2.591 11.687 583 2HD PRO 70 1HD PRO 70 -14.349 -1.840 11.921 584 H ASN 71 H ASN 71 -11.479 2.792 10.568 585 HA ASN 71 HA ASN 71 -9.323 3.494 9.936 586 1HB ASN 71 2HB ASN 71 -8.704 0.919 11.427 587 2HB ASN 71 1HB ASN 71 -7.499 2.130 10.997 588 1HD2 ASN 71 1HD2 ASN 71 -9.892 1.288 13.346 589 2HD2 ASN 71 2HD2 ASN 71 -9.836 2.732 14.236 590 H THR 72 H THR 72 -10.410 2.698 7.732 591 HA THR 72 HA THR 72 -8.595 0.646 6.503 592 HB THR 72 HB THR 72 -11.531 1.289 6.140 593 HG1 THR 72 1HG THR 72 -9.990 -0.826 7.135 594 1HG2 THR 72 1HG2 THR 72 -11.389 -0.637 4.426 595 2HG2 THR 72 2HG2 THR 72 -9.663 -0.283 4.369 596 3HG2 THR 72 3HG2 THR 72 -10.832 0.953 3.908 597 H PHE 73 H PHE 73 -8.004 1.028 4.282 598 HA PHE 73 HA PHE 73 -8.261 3.887 3.392 599 1HB PHE 73 2HB PHE 73 -6.020 2.091 3.888 600 2HB PHE 73 1HB PHE 73 -5.990 2.698 2.234 601 HD1 PHE 73 1HD PHE 73 -4.074 4.138 2.479 602 HD2 PHE 73 2HD PHE 73 -7.462 4.567 5.087 603 HE1 PHE 73 1HE PHE 73 -3.177 6.299 3.294 604 HE2 PHE 73 2HE PHE 73 -6.564 6.729 5.895 605 HZ PHE 73 HZ PHE 73 -4.421 7.591 5.001 606 H VAL 74 H VAL 74 -9.206 4.125 1.394 607 HA VAL 74 HA VAL 74 -9.347 1.720 -0.398 608 HB VAL 74 HB VAL 74 -11.332 3.810 0.459 609 1HG1 VAL 74 1HG1 VAL 74 -11.092 2.601 -2.253 610 2HG1 VAL 74 2HG1 VAL 74 -11.769 4.156 -1.773 611 3HG1 VAL 74 3HG1 VAL 74 -12.706 2.679 -1.549 612 1HG2 VAL 74 1HG2 VAL 74 -11.534 1.733 1.594 613 2HG2 VAL 74 2HG2 VAL 74 -11.275 0.807 0.117 614 3HG2 VAL 74 3HG2 VAL 74 -12.787 1.683 0.354 615 H ILE 75 H ILE 75 -8.629 2.038 -2.481 616 HA ILE 75 HA ILE 75 -7.993 4.849 -3.321 617 HB ILE 75 HB ILE 75 -5.993 3.557 -2.751 618 1HG1 ILE 75 2HG1 ILE 75 -5.462 3.263 -5.537 619 2HG1 ILE 75 1HG1 ILE 75 -6.539 4.647 -5.349 620 1HG2 ILE 75 1HG2 ILE 75 -7.024 1.532 -4.761 621 2HG2 ILE 75 2HG2 ILE 75 -6.898 1.294 -3.019 622 3HG2 ILE 75 3HG2 ILE 75 -5.439 1.480 -3.990 623 1HD1 ILE 75 1HD1 ILE 75 -4.149 4.318 -3.547 624 2HD1 ILE 75 2HD1 ILE 75 -5.034 5.788 -3.951 625 3HD1 ILE 75 3HD1 ILE 75 -3.974 5.041 -5.145 626 H ARG 76 H ARG 76 -8.842 5.457 -5.295 627 HA ARG 76 HA ARG 76 -9.886 3.312 -7.112 628 1HB ARG 76 2HB ARG 76 -11.313 5.828 -6.184 629 2HB ARG 76 1HB ARG 76 -11.953 4.664 -7.342 630 1HG ARG 76 2HG ARG 76 -11.140 3.907 -4.524 631 2HG ARG 76 1HG ARG 76 -12.782 4.379 -4.959 632 1HD ARG 76 2HD ARG 76 -13.064 2.494 -6.390 633 2HD ARG 76 1HD ARG 76 -11.325 2.142 -6.399 634 HE ARG 76 HE ARG 76 -11.703 1.892 -3.804 635 1HH1 ARG 76 1HH2 ARG 76 -13.867 0.909 -6.345 636 2HH1 ARG 76 2HH2 ARG 76 -14.682 -0.248 -5.357 637 1HH2 ARG 76 1HH1 ARG 76 -12.768 0.387 -2.535 638 2HH2 ARG 76 2HH1 ARG 76 -14.070 -0.540 -3.203 639 H CYS 77 H CYS 77 -8.612 3.618 -8.908 640 HA CYS 77 HA CYS 77 -7.937 6.381 -9.796 641 1HB CYS 77 2HB CYS 77 -6.769 3.720 -9.910 642 2HB CYS 77 1HB CYS 77 -6.835 4.439 -11.519 643 H LEU 78 H LEU 78 -9.539 3.410 -10.971 644 HA LEU 78 HA LEU 78 -10.611 4.935 -13.313 645 1HB LEU 78 2HB LEU 78 -10.396 1.971 -12.679 646 2HB LEU 78 1HB LEU 78 -11.073 2.625 -14.168 647 HG LEU 78 HG LEU 78 -8.277 3.310 -13.243 648 1HD1 LEU 78 1HD1 LEU 78 -9.098 1.107 -15.162 649 2HD1 LEU 78 2HD1 LEU 78 -8.524 0.838 -13.516 650 3HD1 LEU 78 3HD1 LEU 78 -7.450 1.550 -14.719 651 1HD2 LEU 78 1HD2 LEU 78 -7.980 3.909 -15.598 652 2HD2 LEU 78 2HD2 LEU 78 -9.386 4.756 -14.953 653 3HD2 LEU 78 3HD2 LEU 78 -9.605 3.334 -15.974 654 H GLN 79 H GLN 79 -12.916 4.755 -13.761 655 HA GLN 79 HA GLN 79 -14.560 4.382 -11.303 656 1HB GLN 79 2HB GLN 79 -14.428 6.297 -13.314 657 2HB GLN 79 1HB GLN 79 -15.852 5.356 -13.754 658 1HG GLN 79 2HG GLN 79 -16.777 5.662 -11.498 659 2HG GLN 79 1HG GLN 79 -15.338 6.561 -11.017 660 1HE2 GLN 79 1HE2 GLN 79 -18.320 6.743 -12.912 661 2HE2 GLN 79 2HE2 GLN 79 -18.218 8.404 -13.243 662 H TRP 80 H TRP 80 -13.525 2.064 -12.943 663 HA TRP 80 HA TRP 80 -16.084 0.630 -13.206 664 1HB TRP 80 2HB TRP 80 -15.811 1.847 -15.355 665 2HB TRP 80 1HB TRP 80 -14.232 1.091 -15.573 666 HD1 TRP 80 HD TRP 80 -14.266 -1.012 -16.985 667 HE1 TRP 80 1HE TRP 80 -16.013 -2.805 -17.599 668 HE3 TRP 80 3HE TRP 80 -18.222 0.621 -14.200 669 HZ2 TRP 80 2HZ TRP 80 -18.732 -3.459 -16.990 670 HZ3 TRP 80 3HZ TRP 80 -20.377 -0.603 -14.235 671 HH2 TRP 80 HH TRP 80 -20.636 -2.640 -15.625 672 H THR 81 H THR 81 -12.676 0.331 -14.332 673 HA THR 81 HA THR 81 -12.613 -2.460 -13.290 674 HB THR 81 HB THR 81 -10.578 -0.904 -14.924 675 HG1 THR 81 1HG THR 81 -12.763 -2.526 -15.733 676 1HG2 THR 81 1HG2 THR 81 -9.692 -2.938 -13.904 677 2HG2 THR 81 2HG2 THR 81 -9.894 -3.189 -15.638 678 3HG2 THR 81 3HG2 THR 81 -11.064 -3.868 -14.507 679 H THR 82 H THR 82 -11.734 -2.794 -11.285 680 HA THR 82 HA THR 82 -9.884 -0.719 -10.169 681 HB THR 82 HB THR 82 -12.010 -1.165 -8.977 682 HG1 THR 82 1HG THR 82 -9.675 -2.104 -7.667 683 1HG2 THR 82 1HG2 THR 82 -11.043 -3.977 -9.210 684 2HG2 THR 82 2HG2 THR 82 -12.685 -3.341 -9.293 685 3HG2 THR 82 3HG2 THR 82 -11.891 -3.531 -7.730 686 H VAL 83 H VAL 83 -8.665 -2.445 -11.970 687 HA VAL 83 HA VAL 83 -7.567 -4.815 -10.692 688 HB VAL 83 HB VAL 83 -7.867 -4.405 -13.164 689 1HG1 VAL 83 1HG1 VAL 83 -5.331 -2.778 -13.015 690 2HG1 VAL 83 2HG1 VAL 83 -6.913 -2.003 -12.930 691 3HG1 VAL 83 3HG1 VAL 83 -6.463 -2.933 -14.358 692 1HG2 VAL 83 1HG2 VAL 83 -6.023 -5.722 -13.749 693 2HG2 VAL 83 2HG2 VAL 83 -6.155 -6.025 -12.016 694 3HG2 VAL 83 3HG2 VAL 83 -4.949 -4.891 -12.625 695 H ILE 84 H ILE 84 -5.744 -4.979 -9.447 696 HA ILE 84 HA ILE 84 -3.803 -4.390 -8.256 697 HB ILE 84 HB ILE 84 -3.667 -2.215 -10.374 698 1HG1 ILE 84 2HG1 ILE 84 -2.000 -4.687 -10.482 699 2HG1 ILE 84 1HG1 ILE 84 -3.705 -4.863 -10.896 700 1HG2 ILE 84 1HG2 ILE 84 -2.135 -1.623 -8.670 701 2HG2 ILE 84 2HG2 ILE 84 -1.159 -2.501 -9.848 702 3HG2 ILE 84 3HG2 ILE 84 -1.691 -3.303 -8.369 703 1HD1 ILE 84 1HD1 ILE 84 -2.602 -4.352 -12.948 704 2HD1 ILE 84 2HD1 ILE 84 -1.654 -3.066 -12.201 705 3HD1 ILE 84 3HD1 ILE 84 -3.387 -2.854 -12.450 706 H GLU 85 H GLU 85 -4.223 -3.606 -6.256 707 HA GLU 85 HA GLU 85 -4.592 -2.072 -4.515 708 1HB GLU 85 2HB GLU 85 -3.507 -0.626 -6.725 709 2HB GLU 85 1HB GLU 85 -4.751 0.380 -5.984 710 1HG GLU 85 2HG GLU 85 -3.671 -0.174 -3.737 711 2HG GLU 85 1HG GLU 85 -2.323 -0.844 -4.657 712 H ARG 86 H ARG 86 -6.485 -1.680 -3.509 713 HA ARG 86 HA ARG 86 -8.737 -0.333 -4.833 714 1HB ARG 86 2HB ARG 86 -8.839 -2.724 -5.593 715 2HB ARG 86 1HB ARG 86 -8.955 -3.222 -3.905 716 1HG ARG 86 2HG ARG 86 -10.963 -1.513 -3.850 717 2HG ARG 86 1HG ARG 86 -10.967 -1.773 -5.594 718 1HD ARG 86 2HD ARG 86 -11.652 -3.972 -5.402 719 2HD ARG 86 1HD ARG 86 -10.813 -4.198 -3.854 720 HE ARG 86 HE ARG 86 -13.063 -2.290 -3.828 721 1HH1 ARG 86 1HH2 ARG 86 -11.904 -5.511 -3.211 722 2HH1 ARG 86 2HH2 ARG 86 -13.175 -5.882 -2.100 723 1HH2 ARG 86 1HH1 ARG 86 -14.715 -2.784 -2.378 724 2HH2 ARG 86 2HH1 ARG 86 -14.765 -4.346 -1.632 725 H THR 87 H THR 87 -8.335 -2.636 -2.101 726 HA THR 87 HA THR 87 -8.934 -0.411 -0.198 727 HB THR 87 HB THR 87 -11.027 -1.594 -0.763 728 HG1 THR 87 1HG THR 87 -11.613 -1.952 1.328 729 1HG2 THR 87 1HG2 THR 87 -10.020 -3.760 -1.404 730 2HG2 THR 87 2HG2 THR 87 -11.286 -3.976 -0.195 731 3HG2 THR 87 3HG2 THR 87 -9.591 -4.053 0.281 732 H PHE 88 H PHE 88 -7.817 -0.590 1.744 733 HA PHE 88 HA PHE 88 -6.474 -3.142 2.438 734 1HB PHE 88 2HB PHE 88 -4.445 -2.446 1.724 735 2HB PHE 88 1HB PHE 88 -5.233 -1.058 0.990 736 HD1 PHE 88 1HD PHE 88 -4.503 1.061 1.612 737 HD2 PHE 88 2HD PHE 88 -4.023 -2.204 4.360 738 HE1 PHE 88 1HE PHE 88 -3.295 2.553 3.178 739 HE2 PHE 88 2HE PHE 88 -2.825 -0.707 5.926 740 HZ PHE 88 HZ PHE 88 -2.456 1.672 5.335 741 H HIS 89 H HIS 89 -6.378 -3.401 4.665 742 HA HIS 89 HA HIS 89 -7.476 -1.183 6.339 743 1HB HIS 89 2HB HIS 89 -7.183 -4.183 6.648 744 2HB HIS 89 1HB HIS 89 -7.753 -3.146 7.954 745 HD1 HIS 89 1HD HIS 89 -10.030 -4.566 7.691 746 HD2 HIS 89 2HD HIS 89 -9.100 -2.051 4.503 747 HE1 HIS 89 1HE HIS 89 -12.158 -4.294 6.351 748 H VAL 90 H VAL 90 -6.406 -0.596 8.331 749 HA VAL 90 HA VAL 90 -3.492 -1.306 8.395 750 HB VAL 90 HB VAL 90 -3.264 0.834 9.634 751 1HG1 VAL 90 1HG1 VAL 90 -4.084 2.337 7.736 752 2HG1 VAL 90 2HG1 VAL 90 -4.730 0.874 6.994 753 3HG1 VAL 90 3HG1 VAL 90 -2.997 1.027 7.281 754 1HG2 VAL 90 1HG2 VAL 90 -6.007 1.726 8.999 755 2HG2 VAL 90 2HG2 VAL 90 -5.029 2.027 10.433 756 3HG2 VAL 90 3HG2 VAL 90 -5.914 0.511 10.273 757 H ASP 91 H ASP 91 -2.534 -1.691 10.524 758 HA ASP 91 HA ASP 91 -4.303 -3.218 12.301 759 1HB ASP 91 2HB ASP 91 -1.596 -3.201 11.560 760 2HB ASP 91 1HB ASP 91 -1.594 -2.718 13.255 761 H SER 92 H SER 92 -3.092 0.046 12.183 762 HA SER 92 HA SER 92 -4.204 0.527 14.922 763 1HB SER 92 2HB SER 92 -1.510 1.184 13.752 764 2HB SER 92 1HB SER 92 -2.181 2.194 15.029 765 HG SER 92 HG SER 92 -1.523 -0.552 15.069 766 HA PRO 93 HA PRO 93 -6.240 3.902 12.927 767 1HB PRO 93 2HB PRO 93 -6.558 5.584 15.072 768 2HB PRO 93 1HB PRO 93 -7.538 4.123 14.832 769 1HG PRO 93 2HG PRO 93 -5.165 4.540 16.590 770 2HG PRO 93 1HG PRO 93 -6.665 3.653 16.910 771 1HD PRO 93 2HD PRO 93 -4.351 2.414 16.248 772 2HD PRO 93 1HD PRO 93 -5.948 1.769 15.800 773 H ASP 94 H ASP 94 -3.536 4.691 15.128 774 HA ASP 94 HA ASP 94 -2.919 7.270 14.015 775 1HB ASP 94 2HB ASP 94 -1.772 5.272 15.854 776 2HB ASP 94 1HB ASP 94 -0.551 6.212 14.995 777 H GLU 95 H GLU 95 -2.049 3.954 13.110 778 HA GLU 95 HA GLU 95 0.072 4.571 11.266 779 1HB GLU 95 2HB GLU 95 -1.197 2.329 12.316 780 2HB GLU 95 1HB GLU 95 -1.628 2.271 10.606 781 1HG GLU 95 2HG GLU 95 0.693 2.351 9.946 782 2HG GLU 95 1HG GLU 95 1.206 2.661 11.605 783 H ARG 96 H ARG 96 -3.461 4.204 10.846 784 HA ARG 96 HA ARG 96 -3.671 4.408 8.039 785 1HB ARG 96 2HB ARG 96 -5.447 3.985 9.817 786 2HB ARG 96 1HB ARG 96 -5.471 5.728 10.095 787 1HG ARG 96 2HG ARG 96 -6.222 6.171 7.872 788 2HG ARG 96 1HG ARG 96 -5.881 4.522 7.353 789 1HD ARG 96 2HD ARG 96 -8.348 5.007 7.798 790 2HD ARG 96 1HD ARG 96 -7.686 3.645 8.718 791 HE ARG 96 HE ARG 96 -7.976 4.911 10.686 792 1HH1 ARG 96 1HH2 ARG 96 -7.944 6.987 7.895 793 2HH1 ARG 96 2HH2 ARG 96 -8.269 8.418 8.808 794 1HH2 ARG 96 1HH1 ARG 96 -8.405 6.784 11.865 795 2HH2 ARG 96 2HH1 ARG 96 -8.527 8.307 11.048 796 H GLU 97 H GLU 97 -3.487 7.035 10.459 797 HA GLU 97 HA GLU 97 -3.655 9.207 8.565 798 1HB GLU 97 2HB GLU 97 -3.309 8.749 11.399 799 2HB GLU 97 1HB GLU 97 -2.161 9.972 10.858 800 1HG GLU 97 2HG GLU 97 -4.064 11.251 11.348 801 2HG GLU 97 1HG GLU 97 -4.214 10.997 9.610 802 H GLU 98 H GLU 98 -0.911 7.418 9.990 803 HA GLU 98 HA GLU 98 1.185 9.047 8.888 804 1HB GLU 98 2HB GLU 98 1.362 7.385 10.758 805 2HB GLU 98 1HB GLU 98 1.165 6.089 9.578 806 1HG GLU 98 2HG GLU 98 3.532 6.357 9.965 807 2HG GLU 98 1HG GLU 98 3.183 7.002 8.363 808 H TRP 99 H TRP 99 -0.543 6.173 7.644 809 HA TRP 99 HA TRP 99 1.062 5.700 5.325 810 1HB TRP 99 2HB TRP 99 -1.895 5.313 5.902 811 2HB TRP 99 1HB TRP 99 -1.089 4.651 4.483 812 HD1 TRP 99 HD TRP 99 -2.250 3.443 7.553 813 HE1 TRP 99 1HE TRP 99 -0.842 1.515 8.509 814 HE3 TRP 99 3HE TRP 99 2.001 3.997 4.776 815 HZ2 TRP 99 2HZ TRP 99 1.741 0.355 8.146 816 HZ3 TRP 99 3HZ TRP 99 3.920 2.460 5.111 817 HH2 TRP 99 HH TRP 99 3.791 0.648 6.787 818 H MET 100 H MET 100 -1.853 7.729 5.775 819 HA MET 100 HA MET 100 -2.096 8.706 3.109 820 1HB MET 100 2HB MET 100 -3.380 8.987 5.544 821 2HB MET 100 1HB MET 100 -2.727 10.602 5.272 822 1HG MET 100 2HG MET 100 -3.767 10.660 3.041 823 2HG MET 100 1HG MET 100 -4.409 9.037 3.291 824 1HE MET 100 1HE MET 100 -5.742 12.992 5.136 825 2HE MET 100 2HE MET 100 -4.965 12.725 3.578 826 3HE MET 100 3HE MET 100 -4.054 12.468 5.064 827 H ARG 101 H ARG 101 -0.245 9.994 5.891 828 HA ARG 101 HA ARG 101 0.708 12.396 4.698 829 1HB ARG 101 2HB ARG 101 1.996 10.505 6.698 830 2HB ARG 101 1HB ARG 101 2.483 12.179 6.437 831 1HG ARG 101 2HG ARG 101 -0.391 11.962 6.867 832 2HG ARG 101 1HG ARG 101 0.516 11.282 8.217 833 1HD ARG 101 2HD ARG 101 1.610 13.842 7.233 834 2HD ARG 101 1HD ARG 101 -0.021 13.964 7.919 835 HE ARG 101 HE ARG 101 2.401 13.256 9.393 836 1HH1 ARG 101 1HH2 ARG 101 -1.064 12.936 9.212 837 2HH1 ARG 101 2HH2 ARG 101 -1.237 12.598 10.898 838 1HH2 ARG 101 1HH1 ARG 101 2.157 12.809 11.589 839 2HH2 ARG 101 2HH1 ARG 101 0.577 12.524 12.239 840 H ALA 102 H ALA 102 2.163 9.121 4.729 841 HA ALA 102 HA ALA 102 4.527 9.776 3.238 842 1HB ALA 102 1HB ALA 102 4.207 7.737 4.582 843 2HB ALA 102 2HB ALA 102 4.598 7.311 2.916 844 3HB ALA 102 3HB ALA 102 2.932 7.203 3.485 845 H ILE 103 H ILE 103 1.333 8.536 2.191 846 HA ILE 103 HA ILE 103 1.900 8.243 -0.591 847 HB ILE 103 HB ILE 103 -0.636 8.940 0.936 848 1HG1 ILE 103 2HG1 ILE 103 0.092 6.277 -0.277 849 2HG1 ILE 103 1HG1 ILE 103 0.715 6.730 1.309 850 1HG2 ILE 103 1HG2 ILE 103 -0.319 7.918 -1.907 851 2HG2 ILE 103 2HG2 ILE 103 -0.855 9.537 -1.457 852 3HG2 ILE 103 3HG2 ILE 103 -1.849 8.138 -1.057 853 1HD1 ILE 103 1HD1 ILE 103 -1.240 5.808 2.044 854 2HD1 ILE 103 2HD1 ILE 103 -2.048 6.033 0.492 855 3HD1 ILE 103 3HD1 ILE 103 -1.905 7.384 1.617 856 H GLN 104 H GLN 104 0.815 11.080 1.285 857 HA GLN 104 HA GLN 104 0.401 12.844 -0.957 858 1HB GLN 104 2HB GLN 104 0.021 12.866 1.783 859 2HB GLN 104 1HB GLN 104 1.321 14.038 1.575 860 1HG GLN 104 2HG GLN 104 -1.213 14.088 -0.082 861 2HG GLN 104 1HG GLN 104 -1.034 14.991 1.422 862 1HE2 GLN 104 1HE2 GLN 104 -0.520 15.177 -1.942 863 2HE2 GLN 104 2HE2 GLN 104 0.527 16.512 -1.950 864 H MET 105 H MET 105 3.228 12.252 1.161 865 HA MET 105 HA MET 105 4.950 14.261 0.072 866 1HB MET 105 2HB MET 105 5.061 11.939 1.830 867 2HB MET 105 1HB MET 105 6.522 12.059 0.849 868 1HG MET 105 2HG MET 105 6.961 13.373 2.788 869 2HG MET 105 1HG MET 105 6.586 14.534 1.514 870 1HE MET 105 1HE MET 105 4.978 16.447 4.352 871 2HE MET 105 2HE MET 105 5.900 16.514 2.853 872 3HE MET 105 3HE MET 105 6.545 15.634 4.237 873 H VAL 106 H VAL 106 4.339 10.887 -0.913 874 HA VAL 106 HA VAL 106 6.372 10.750 -2.951 875 HB VAL 106 HB VAL 106 3.743 9.309 -2.460 876 1HG1 VAL 106 1HG1 VAL 106 4.000 8.838 -4.718 877 2HG1 VAL 106 2HG1 VAL 106 5.019 7.576 -4.025 878 3HG1 VAL 106 3HG1 VAL 106 5.751 9.044 -4.670 879 1HG2 VAL 106 1HG2 VAL 106 5.482 8.930 -0.774 880 2HG2 VAL 106 2HG2 VAL 106 6.656 8.556 -2.036 881 3HG2 VAL 106 3HG2 VAL 106 5.287 7.479 -1.758 882 H ALA 107 H ALA 107 2.918 11.678 -3.015 883 HA ALA 107 HA ALA 107 2.621 12.048 -5.828 884 1HB ALA 107 1HB ALA 107 1.370 13.252 -3.353 885 2HB ALA 107 2HB ALA 107 0.691 12.043 -4.442 886 3HB ALA 107 3HB ALA 107 0.832 13.721 -4.966 887 H ASN 108 H ASN 108 3.794 14.273 -3.293 888 HA ASN 108 HA ASN 108 4.028 16.650 -4.839 889 1HB ASN 108 2HB ASN 108 5.363 15.451 -2.429 890 2HB ASN 108 1HB ASN 108 6.040 16.926 -3.117 891 1HD2 ASN 108 1HD2 ASN 108 3.418 15.640 -1.218 892 2HD2 ASN 108 2HD2 ASN 108 2.594 17.106 -0.996 893 H SER 109 H SER 109 6.363 13.986 -4.339 894 HA SER 109 HA SER 109 8.346 15.157 -6.155 895 1HB SER 109 2HB SER 109 8.132 12.401 -4.907 896 2HB SER 109 1HB SER 109 9.588 13.130 -5.578 897 HG SER 109 HG SER 109 8.320 13.557 -3.164 898 H LEU 110 H LEU 110 5.646 12.941 -6.461 899 HA LEU 110 HA LEU 110 6.508 11.566 -8.858 900 1HB LEU 110 2HB LEU 110 4.270 11.671 -7.047 901 2HB LEU 110 1HB LEU 110 3.666 11.749 -8.702 902 HG LEU 110 HG LEU 110 4.955 9.731 -9.282 903 1HD1 LEU 110 1HD1 LEU 110 5.838 8.482 -7.117 904 2HD1 LEU 110 2HD1 LEU 110 5.976 10.125 -6.490 905 3HD1 LEU 110 3HD1 LEU 110 6.856 9.660 -7.945 906 1HD2 LEU 110 1HD2 LEU 110 3.295 9.406 -6.762 907 2HD2 LEU 110 2HD2 LEU 110 3.676 8.121 -7.910 908 3HD2 LEU 110 3HD2 LEU 110 2.662 9.476 -8.407 909 H LYS 111 H LYS 111 5.067 14.703 -8.246 910 HA LYS 111 HA LYS 111 4.523 16.483 -9.675 911 1HB LYS 111 2HB LYS 111 6.047 14.830 -11.720 912 2HB LYS 111 1HB LYS 111 5.791 16.572 -11.753 913 1HG LYS 111 2HG LYS 111 7.265 15.149 -9.519 914 2HG LYS 111 1HG LYS 111 8.071 15.860 -10.915 915 1HD LYS 111 2HD LYS 111 7.155 18.065 -10.353 916 2HD LYS 111 1HD LYS 111 6.280 17.371 -8.988 917 1HE LYS 111 2HE LYS 111 8.949 16.526 -8.644 918 2HE LYS 111 1HE LYS 111 9.051 18.235 -9.110 919 1HZ LYS 111 1HZ LYS 111 7.519 18.834 -7.422 920 2HZ LYS 111 2HZ LYS 111 8.662 17.823 -6.678 921 3HZ LYS 111 3HZ LYS 111 7.127 17.217 -7.086 Start of MODEL 7 1 1H MET 1 1H MET 1 17.159 2.684 -15.935 2 2H MET 1 2H MET 1 18.829 2.880 -16.173 3 3H MET 1 3H MET 1 17.961 4.007 -15.242 4 HA MET 1 HA MET 1 18.324 1.143 -14.506 5 1HB MET 1 2HB MET 1 20.375 2.683 -14.638 6 2HB MET 1 1HB MET 1 19.632 3.614 -13.337 7 1HG MET 1 2HG MET 1 19.562 1.585 -11.926 8 2HG MET 1 1HG MET 1 20.318 0.660 -13.223 9 1HE MET 1 1HE MET 1 21.055 2.316 -9.948 10 2HE MET 1 2HE MET 1 20.454 3.641 -10.939 11 3HE MET 1 3HE MET 1 22.113 3.677 -10.348 12 H ASN 2 H ASN 2 17.460 0.688 -12.388 13 HA ASN 2 HA ASN 2 15.218 2.464 -11.595 14 1HB ASN 2 2HB ASN 2 15.097 -0.066 -11.941 15 2HB ASN 2 1HB ASN 2 16.054 -0.223 -10.468 16 1HD2 ASN 2 1HD2 ASN 2 15.057 0.676 -8.428 17 2HD2 ASN 2 2HD2 ASN 2 13.369 0.792 -8.315 18 H GLU 3 H GLU 3 15.328 3.772 -9.809 19 HA GLU 3 HA GLU 3 17.319 3.175 -7.671 20 1HB GLU 3 2HB GLU 3 18.123 4.783 -9.561 21 2HB GLU 3 1HB GLU 3 17.028 5.951 -8.818 22 1HG GLU 3 2HG GLU 3 18.834 6.431 -7.508 23 2HG GLU 3 1HG GLU 3 18.316 5.005 -6.611 24 H VAL 4 H VAL 4 15.064 2.595 -6.771 25 HA VAL 4 HA VAL 4 13.830 5.037 -5.538 26 HB VAL 4 HB VAL 4 12.577 2.577 -6.788 27 1HG1 VAL 4 1HG1 VAL 4 11.194 4.707 -5.128 28 2HG1 VAL 4 2HG1 VAL 4 11.509 3.059 -4.585 29 3HG1 VAL 4 3HG1 VAL 4 10.417 3.347 -5.938 30 1HG2 VAL 4 1HG2 VAL 4 13.192 4.738 -8.097 31 2HG2 VAL 4 2HG2 VAL 4 11.850 5.475 -7.221 32 3HG2 VAL 4 3HG2 VAL 4 11.559 4.098 -8.284 33 H SER 5 H SER 5 14.075 4.918 -3.346 34 HA SER 5 HA SER 5 14.572 2.272 -2.067 35 1HB SER 5 2HB SER 5 16.056 4.328 -1.801 36 2HB SER 5 1HB SER 5 14.735 5.064 -0.897 37 HG SER 5 HG SER 5 15.982 4.060 0.601 38 H VAL 6 H VAL 6 13.585 2.224 0.301 39 HA VAL 6 HA VAL 6 10.661 2.520 0.000 40 HB VAL 6 HB VAL 6 12.477 1.354 2.137 41 1HG1 VAL 6 1HG1 VAL 6 9.455 1.445 1.920 42 2HG1 VAL 6 2HG1 VAL 6 10.455 2.040 3.247 43 3HG1 VAL 6 3HG1 VAL 6 10.311 0.305 2.958 44 1HG2 VAL 6 1HG2 VAL 6 12.421 0.123 -0.007 45 2HG2 VAL 6 2HG2 VAL 6 10.660 0.076 0.066 46 3HG2 VAL 6 3HG2 VAL 6 11.616 -0.796 1.264 47 H ILE 7 H ILE 7 9.490 4.143 0.926 48 HA ILE 7 HA ILE 7 10.934 6.148 2.598 49 HB ILE 7 HB ILE 7 8.665 6.093 0.661 50 1HG1 ILE 7 2HG1 ILE 7 9.718 8.137 -0.117 51 2HG1 ILE 7 1HG1 ILE 7 10.715 8.226 1.333 52 1HG2 ILE 7 1HG2 ILE 7 8.814 8.043 2.977 53 2HG2 ILE 7 2HG2 ILE 7 7.476 6.965 2.582 54 3HG2 ILE 7 3HG2 ILE 7 7.860 8.319 1.519 55 1HD1 ILE 7 1HD1 ILE 7 10.825 5.927 -0.639 56 2HD1 ILE 7 2HD1 ILE 7 11.924 6.230 0.706 57 3HD1 ILE 7 3HD1 ILE 7 11.917 7.312 -0.685 58 H LYS 8 H LYS 8 8.117 3.970 2.642 59 HA LYS 8 HA LYS 8 7.877 4.492 5.583 60 1HB LYS 8 2HB LYS 8 6.111 5.343 3.579 61 2HB LYS 8 1HB LYS 8 5.345 3.904 4.252 62 1HG LYS 8 2HG LYS 8 4.568 5.702 5.603 63 2HG LYS 8 1HG LYS 8 5.826 4.920 6.561 64 1HD LYS 8 2HD LYS 8 7.381 6.631 6.158 65 2HD LYS 8 1HD LYS 8 6.527 7.199 4.723 66 1HE LYS 8 2HE LYS 8 5.721 8.813 6.141 67 2HE LYS 8 1HE LYS 8 4.606 7.537 6.668 68 1HZ LYS 8 1HZ LYS 8 7.301 8.064 7.819 69 2HZ LYS 8 2HZ LYS 8 6.239 6.826 8.305 70 3HZ LYS 8 3HZ LYS 8 5.823 8.455 8.555 71 H GLU 9 H GLU 9 7.554 2.625 6.790 72 HA GLU 9 HA GLU 9 6.915 0.086 5.343 73 1HB GLU 9 2HB GLU 9 8.784 -0.977 6.650 74 2HB GLU 9 1HB GLU 9 9.340 0.237 5.503 75 1HG GLU 9 2HG GLU 9 10.286 1.422 7.165 76 2HG GLU 9 1HG GLU 9 8.743 1.520 8.013 77 H GLY 10 H GLY 10 5.361 -1.068 6.440 78 1HA GLY 10 2HA GLY 10 5.265 -1.264 9.315 79 2HA GLY 10 1HA GLY 10 4.042 -0.136 8.742 80 H TRP 11 H TRP 11 3.167 -2.391 10.009 81 HA TRP 11 HA TRP 11 2.511 -4.472 8.008 82 1HB TRP 11 2HB TRP 11 2.211 -4.031 10.963 83 2HB TRP 11 1HB TRP 11 1.192 -5.238 10.182 84 HD1 TRP 11 HD TRP 11 4.839 -4.438 10.969 85 HE1 TRP 11 1HE TRP 11 6.249 -6.574 10.632 86 HE3 TRP 11 3HE TRP 11 1.317 -7.509 8.907 87 HZ2 TRP 11 2HZ TRP 11 5.924 -9.228 9.617 88 HZ3 TRP 11 3HZ TRP 11 1.895 -9.832 8.264 89 HH2 TRP 11 HH TRP 11 4.196 -10.692 8.615 90 H LEU 12 H LEU 12 0.442 -4.767 7.131 91 HA LEU 12 HA LEU 12 -1.731 -2.885 7.966 92 1HB LEU 12 2HB LEU 12 -0.480 -3.315 5.249 93 2HB LEU 12 1HB LEU 12 -2.132 -2.716 5.395 94 HG LEU 12 HG LEU 12 0.339 -1.439 6.610 95 1HD1 LEU 12 1HD1 LEU 12 -0.566 0.461 5.044 96 2HD1 LEU 12 2HD1 LEU 12 -1.370 -0.864 4.203 97 3HD1 LEU 12 3HD1 LEU 12 0.386 -0.848 4.348 98 1HD2 LEU 12 1HD2 LEU 12 -2.558 -1.119 7.093 99 2HD2 LEU 12 2HD2 LEU 12 -1.701 0.389 6.782 100 3HD2 LEU 12 3HD2 LEU 12 -1.193 -0.658 8.107 101 H HIS 13 H HIS 13 -3.883 -3.707 7.434 102 HA HIS 13 HA HIS 13 -3.943 -6.676 7.245 103 1HB HIS 13 2HB HIS 13 -5.553 -4.503 8.412 104 2HB HIS 13 1HB HIS 13 -6.513 -5.793 7.686 105 HD1 HIS 13 1HD HIS 13 -6.730 -7.922 9.005 106 HD2 HIS 13 2HD HIS 13 -3.603 -5.539 10.390 107 HE1 HIS 13 1HE HIS 13 -5.828 -9.056 11.084 108 H LYS 14 H LYS 14 -4.508 -7.677 5.386 109 HA LYS 14 HA LYS 14 -6.048 -6.139 3.315 110 1HB LYS 14 2HB LYS 14 -3.553 -6.619 2.943 111 2HB LYS 14 1HB LYS 14 -4.002 -8.321 2.829 112 1HG LYS 14 2HG LYS 14 -5.779 -6.746 1.187 113 2HG LYS 14 1HG LYS 14 -4.106 -6.372 0.773 114 1HD LYS 14 2HD LYS 14 -3.603 -8.692 0.366 115 2HD LYS 14 1HD LYS 14 -5.158 -9.200 1.023 116 1HE LYS 14 2HE LYS 14 -5.944 -9.118 -1.111 117 2HE LYS 14 1HE LYS 14 -5.822 -7.352 -0.988 118 1HZ LYS 14 1HZ LYS 14 -3.562 -9.139 -1.728 119 2HZ LYS 14 2HZ LYS 14 -3.558 -7.439 -1.728 120 3HZ LYS 14 3HZ LYS 14 -4.507 -8.290 -2.851 121 H ARG 15 H ARG 15 -7.800 -7.246 2.403 122 HA ARG 15 HA ARG 15 -8.860 -9.559 3.785 123 1HB ARG 15 2HB ARG 15 -9.995 -7.586 2.480 124 2HB ARG 15 1HB ARG 15 -9.759 -8.619 1.070 125 1HG ARG 15 2HG ARG 15 -11.143 -10.325 1.935 126 2HG ARG 15 1HG ARG 15 -11.032 -9.699 3.580 127 1HD ARG 15 2HD ARG 15 -13.150 -8.921 2.985 128 2HD ARG 15 1HD ARG 15 -12.159 -7.550 2.453 129 HE ARG 15 HE ARG 15 -12.262 -9.500 0.355 130 1HH1 ARG 15 1HH2 ARG 15 -14.231 -7.153 2.003 131 2HH1 ARG 15 2HH2 ARG 15 -15.250 -6.871 0.635 132 1HH2 ARG 15 1HH1 ARG 15 -13.602 -9.133 -1.419 133 2HH2 ARG 15 2HH1 ARG 15 -14.893 -7.986 -1.301 134 H GLY 16 H GLY 16 -9.044 -11.718 3.016 135 1HA GLY 16 2HA GLY 16 -6.870 -12.613 1.293 136 2HA GLY 16 1HA GLY 16 -8.061 -13.646 2.076 137 H GLU 17 H GLU 17 -9.142 -14.782 0.569 138 HA GLU 17 HA GLU 17 -9.515 -13.713 -2.163 139 1HB GLU 17 2HB GLU 17 -10.214 -16.047 -2.612 140 2HB GLU 17 1HB GLU 17 -8.688 -16.004 -1.733 141 1HG GLU 17 2HG GLU 17 -11.014 -16.052 0.051 142 2HG GLU 17 1HG GLU 17 -10.929 -17.466 -0.996 143 H TYR 18 H TYR 18 -12.038 -15.550 -2.260 144 HA TYR 18 HA TYR 18 -14.027 -13.538 -2.202 145 1HB TYR 18 2HB TYR 18 -15.560 -15.392 -2.505 146 2HB TYR 18 1HB TYR 18 -14.071 -15.773 -3.362 147 HD1 TYR 18 1HD TYR 18 -12.625 -17.580 -2.638 148 HD2 TYR 18 2HD TYR 18 -16.102 -16.506 -0.353 149 HE1 TYR 18 1HE TYR 18 -12.414 -19.674 -1.329 150 HE2 TYR 18 2HE TYR 18 -15.888 -18.599 0.956 151 HH TYR 18 HH TYR 18 -13.197 -20.403 1.116 152 H ILE 19 H ILE 19 -12.738 -15.449 0.446 153 HA ILE 19 HA ILE 19 -14.944 -15.189 2.277 154 HB ILE 19 HB ILE 19 -12.926 -16.753 2.348 155 1HG1 ILE 19 2HG1 ILE 19 -12.676 -16.446 4.913 156 2HG1 ILE 19 1HG1 ILE 19 -13.831 -15.128 4.726 157 1HG2 ILE 19 1HG2 ILE 19 -11.416 -14.532 2.112 158 2HG2 ILE 19 2HG2 ILE 19 -10.825 -15.998 2.894 159 3HG2 ILE 19 3HG2 ILE 19 -11.441 -14.666 3.871 160 1HD1 ILE 19 1HD1 ILE 19 -14.999 -17.222 5.275 161 2HD1 ILE 19 2HD1 ILE 19 -14.274 -18.004 3.870 162 3HD1 ILE 19 3HD1 ILE 19 -15.425 -16.687 3.650 163 H LYS 20 H LYS 20 -15.260 -13.618 3.948 164 HA LYS 20 HA LYS 20 -14.116 -10.945 3.359 165 1HB LYS 20 2HB LYS 20 -16.396 -12.070 4.991 166 2HB LYS 20 1HB LYS 20 -15.894 -10.390 5.187 167 1HG LYS 20 2HG LYS 20 -16.759 -9.767 3.180 168 2HG LYS 20 1HG LYS 20 -16.200 -11.233 2.378 169 1HD LYS 20 2HD LYS 20 -18.330 -11.721 4.343 170 2HD LYS 20 1HD LYS 20 -18.829 -10.680 3.010 171 1HE LYS 20 2HE LYS 20 -17.590 -12.518 1.537 172 2HE LYS 20 1HE LYS 20 -17.943 -13.544 2.941 173 1HZ LYS 20 1HZ LYS 20 -20.249 -12.845 2.850 174 2HZ LYS 20 2HZ LYS 20 -19.797 -13.519 1.358 175 3HZ LYS 20 3HZ LYS 20 -19.928 -11.833 1.527 176 H THR 21 H THR 21 -12.083 -12.470 4.346 177 HA THR 21 HA THR 21 -11.877 -11.717 7.249 178 HB THR 21 HB THR 21 -10.269 -13.837 5.816 179 HG1 THR 21 1HG THR 21 -12.831 -14.069 7.017 180 1HG2 THR 21 1HG2 THR 21 -10.342 -14.802 8.182 181 2HG2 THR 21 2HG2 THR 21 -11.017 -13.252 8.683 182 3HG2 THR 21 3HG2 THR 21 -9.405 -13.322 7.972 183 H TRP 22 H TRP 22 -10.071 -10.506 7.856 184 HA TRP 22 HA TRP 22 -8.279 -9.592 5.633 185 1HB TRP 22 2HB TRP 22 -9.160 -8.321 8.248 186 2HB TRP 22 1HB TRP 22 -8.018 -7.584 7.127 187 HD1 TRP 22 HD TRP 22 -11.678 -8.765 7.285 188 HE1 TRP 22 1HE TRP 22 -13.040 -7.441 5.547 189 HE3 TRP 22 3HE TRP 22 -7.919 -6.145 5.033 190 HZ2 TRP 22 2HZ TRP 22 -12.597 -5.518 3.475 191 HZ3 TRP 22 3HZ TRP 22 -8.417 -4.577 3.182 192 HH2 TRP 22 HH TRP 22 -10.748 -4.260 2.399 193 H ARG 23 H ARG 23 -6.129 -10.065 5.787 194 HA ARG 23 HA ARG 23 -5.080 -11.093 8.406 195 1HB ARG 23 2HB ARG 23 -4.193 -11.711 5.567 196 2HB ARG 23 1HB ARG 23 -3.609 -12.495 7.034 197 1HG ARG 23 2HG ARG 23 -6.546 -12.512 6.334 198 2HG ARG 23 1HG ARG 23 -5.445 -13.709 5.657 199 1HD ARG 23 2HD ARG 23 -4.711 -13.919 8.237 200 2HD ARG 23 1HD ARG 23 -6.390 -13.392 8.470 201 HE ARG 23 HE ARG 23 -6.524 -15.339 6.468 202 1HH1 ARG 23 1HH2 ARG 23 -5.379 -15.155 9.749 203 2HH1 ARG 23 2HH2 ARG 23 -5.694 -16.823 10.078 204 1HH2 ARG 23 1HH1 ARG 23 -6.933 -17.511 6.910 205 2HH2 ARG 23 2HH1 ARG 23 -6.570 -18.154 8.476 206 HA PRO 24 HA PRO 24 -2.328 -7.644 8.244 207 1HB PRO 24 2HB PRO 24 -0.434 -8.525 10.009 208 2HB PRO 24 1HB PRO 24 -2.034 -7.943 10.509 209 1HG PRO 24 2HG PRO 24 -1.037 -10.730 10.229 210 2HG PRO 24 1HG PRO 24 -2.126 -10.034 11.439 211 1HD PRO 24 2HD PRO 24 -2.965 -11.538 9.311 212 2HD PRO 24 1HD PRO 24 -3.973 -10.323 10.127 213 H ARG 25 H ARG 25 -0.607 -7.057 6.980 214 HA ARG 25 HA ARG 25 1.429 -9.083 6.158 215 1HB ARG 25 2HB ARG 25 -0.659 -7.716 4.529 216 2HB ARG 25 1HB ARG 25 0.952 -7.786 3.815 217 1HG ARG 25 2HG ARG 25 0.314 -9.850 3.108 218 2HG ARG 25 1HG ARG 25 0.677 -10.341 4.762 219 1HD ARG 25 2HD ARG 25 -1.900 -9.319 4.973 220 2HD ARG 25 1HD ARG 25 -1.920 -10.170 3.420 221 HE ARG 25 HE ARG 25 -1.054 -11.411 6.006 222 1HH1 ARG 25 1HH2 ARG 25 -2.285 -11.667 2.743 223 2HH1 ARG 25 2HH2 ARG 25 -2.549 -13.369 2.864 224 1HH2 ARG 25 1HH1 ARG 25 -1.399 -13.625 6.122 225 2HH2 ARG 25 2HH1 ARG 25 -2.051 -14.474 4.762 226 H TYR 26 H TYR 26 3.483 -8.104 5.824 227 HA TYR 26 HA TYR 26 3.855 -5.420 6.887 228 1HB TYR 26 2HB TYR 26 5.373 -7.639 6.722 229 2HB TYR 26 1HB TYR 26 5.969 -6.802 5.290 230 HD1 TYR 26 1HD TYR 26 7.334 -7.432 8.076 231 HD2 TYR 26 2HD TYR 26 5.529 -3.938 6.359 232 HE1 TYR 26 1HE TYR 26 8.745 -5.997 9.521 233 HE2 TYR 26 2HE TYR 26 6.939 -2.502 7.805 234 HH TYR 26 HH TYR 26 8.918 -2.550 9.089 235 H PHE 27 H PHE 27 3.032 -3.771 5.612 236 HA PHE 27 HA PHE 27 3.389 -3.857 2.672 237 1HB PHE 27 2HB PHE 27 1.717 -2.468 4.682 238 2HB PHE 27 1HB PHE 27 2.138 -1.503 3.268 239 HD1 PHE 27 1HD PHE 27 0.566 -1.568 1.560 240 HD2 PHE 27 2HD PHE 27 1.207 -5.089 3.936 241 HE1 PHE 27 1HE PHE 27 -1.131 -2.783 0.221 242 HE2 PHE 27 2HE PHE 27 -0.490 -6.303 2.596 243 HZ PHE 27 HZ PHE 27 -1.656 -5.149 0.738 244 H LEU 28 H LEU 28 4.913 -2.669 1.610 245 HA LEU 28 HA LEU 28 6.540 -0.695 3.189 246 1HB LEU 28 2HB LEU 28 7.224 -2.753 1.074 247 2HB LEU 28 1HB LEU 28 8.320 -1.431 1.452 248 HG LEU 28 HG LEU 28 9.046 -3.266 2.785 249 1HD1 LEU 28 1HD1 LEU 28 8.494 -0.943 3.925 250 2HD1 LEU 28 2HD1 LEU 28 9.023 -2.317 4.894 251 3HD1 LEU 28 3HD1 LEU 28 7.310 -1.907 4.809 252 1HD2 LEU 28 1HD2 LEU 28 7.694 -4.877 3.664 253 2HD2 LEU 28 2HD2 LEU 28 6.506 -4.229 2.533 254 3HD2 LEU 28 3HD2 LEU 28 6.495 -3.709 4.218 255 H LEU 29 H LEU 29 6.346 1.365 2.400 256 HA LEU 29 HA LEU 29 5.263 1.779 -0.350 257 1HB LEU 29 2HB LEU 29 4.233 2.846 1.680 258 2HB LEU 29 1HB LEU 29 5.745 3.715 1.943 259 HG LEU 29 HG LEU 29 5.479 4.602 -0.449 260 1HD1 LEU 29 1HD1 LEU 29 3.548 2.766 -0.729 261 2HD1 LEU 29 2HD1 LEU 29 3.509 4.293 -1.611 262 3HD1 LEU 29 3HD1 LEU 29 2.551 4.097 -0.144 263 1HD2 LEU 29 1HD2 LEU 29 3.147 5.615 1.073 264 2HD2 LEU 29 2HD2 LEU 29 4.548 6.484 0.447 265 3HD2 LEU 29 3HD2 LEU 29 4.669 5.591 1.962 266 H LYS 30 H LYS 30 6.674 2.332 -1.964 267 HA LYS 30 HA LYS 30 9.476 3.032 -1.267 268 1HB LYS 30 2HB LYS 30 7.981 1.779 -3.462 269 2HB LYS 30 1HB LYS 30 9.224 2.895 -4.026 270 1HG LYS 30 2HG LYS 30 10.777 1.706 -2.326 271 2HG LYS 30 1HG LYS 30 9.549 0.439 -2.305 272 1HD LYS 30 2HD LYS 30 10.244 1.306 -5.020 273 2HD LYS 30 1HD LYS 30 11.618 0.637 -4.138 274 1HE LYS 30 2HE LYS 30 10.123 -1.336 -3.522 275 2HE LYS 30 1HE LYS 30 8.955 -0.704 -4.700 276 1HZ LYS 30 1HZ LYS 30 11.812 -1.313 -5.266 277 2HZ LYS 30 2HZ LYS 30 10.680 -0.720 -6.386 278 3HZ LYS 30 3HZ LYS 30 10.497 -2.278 -5.733 279 H SER 31 H SER 31 10.483 4.716 -2.854 280 HA SER 31 HA SER 31 9.052 7.250 -2.537 281 1HB SER 31 2HB SER 31 11.679 6.388 -2.683 282 2HB SER 31 1HB SER 31 11.451 7.178 -4.239 283 HG SER 31 HG SER 31 10.741 9.023 -3.130 284 H ASP 32 H ASP 32 8.956 4.832 -4.923 285 HA ASP 32 HA ASP 32 8.577 6.641 -7.228 286 1HB ASP 32 2HB ASP 32 9.744 4.580 -7.601 287 2HB ASP 32 1HB ASP 32 8.525 3.652 -6.732 288 H GLY 33 H GLY 33 6.640 5.294 -4.717 289 1HA GLY 33 2HA GLY 33 4.324 5.949 -4.418 290 2HA GLY 33 1HA GLY 33 4.179 6.122 -6.169 291 H SER 34 H SER 34 5.611 3.391 -4.403 292 HA SER 34 HA SER 34 3.379 1.664 -5.418 293 1HB SER 34 2HB SER 34 4.945 0.687 -6.726 294 2HB SER 34 1HB SER 34 6.194 1.723 -6.048 295 HG SER 34 HG SER 34 5.402 -0.868 -5.337 296 H PHE 35 H PHE 35 2.887 -0.159 -4.074 297 HA PHE 35 HA PHE 35 3.996 -0.010 -1.283 298 1HB PHE 35 2HB PHE 35 1.373 0.358 -2.313 299 2HB PHE 35 1HB PHE 35 1.365 -1.194 -1.478 300 HD1 PHE 35 1HD PHE 35 3.203 -0.867 0.733 301 HD2 PHE 35 2HD PHE 35 0.426 1.964 -0.919 302 HE1 PHE 35 1HE PHE 35 3.101 0.309 2.913 303 HE2 PHE 35 2HE PHE 35 0.328 3.140 1.259 304 HZ PHE 35 HZ PHE 35 1.664 2.311 3.176 305 H ILE 36 H ILE 36 5.048 -1.899 -0.719 306 HA ILE 36 HA ILE 36 4.444 -4.371 -2.300 307 HB ILE 36 HB ILE 36 6.772 -3.781 -0.438 308 1HG1 ILE 36 2HG1 ILE 36 6.776 -2.068 -2.178 309 2HG1 ILE 36 1HG1 ILE 36 8.039 -3.244 -2.537 310 1HG2 ILE 36 1HG2 ILE 36 6.161 -5.865 -2.529 311 2HG2 ILE 36 2HG2 ILE 36 6.705 -6.096 -0.869 312 3HG2 ILE 36 3HG2 ILE 36 7.826 -5.488 -2.086 313 1HD1 ILE 36 1HD1 ILE 36 5.999 -4.385 -3.882 314 2HD1 ILE 36 2HD1 ILE 36 7.060 -3.182 -4.614 315 3HD1 ILE 36 3HD1 ILE 36 5.489 -2.700 -3.975 316 H GLY 37 H GLY 37 3.119 -5.809 -1.281 317 1HA GLY 37 2HA GLY 37 2.827 -5.686 1.674 318 2HA GLY 37 1HA GLY 37 1.719 -6.495 0.566 319 H TYR 38 H TYR 38 4.273 -6.956 2.718 320 HA TYR 38 HA TYR 38 5.202 -9.513 1.523 321 1HB TYR 38 2HB TYR 38 6.055 -7.545 3.570 322 2HB TYR 38 1HB TYR 38 6.419 -9.221 3.970 323 HD1 TYR 38 1HD TYR 38 8.051 -10.485 2.729 324 HD2 TYR 38 2HD TYR 38 6.957 -6.518 1.494 325 HE1 TYR 38 1HE TYR 38 9.986 -10.434 1.179 326 HE2 TYR 38 2HE TYR 38 8.890 -6.469 -0.056 327 HH TYR 38 HH TYR 38 10.472 -9.059 -1.104 328 H LYS 39 H LYS 39 4.781 -11.542 2.523 329 HA LYS 39 HA LYS 39 2.363 -11.736 4.142 330 1HB LYS 39 2HB LYS 39 2.840 -14.155 4.002 331 2HB LYS 39 1HB LYS 39 3.023 -13.394 2.426 332 1HG LYS 39 2HG LYS 39 5.336 -13.617 2.432 333 2HG LYS 39 1HG LYS 39 5.436 -13.619 4.192 334 1HD LYS 39 2HD LYS 39 5.828 -15.866 3.717 335 2HD LYS 39 1HD LYS 39 4.085 -15.867 3.985 336 1HE LYS 39 2HE LYS 39 4.314 -17.057 1.949 337 2HE LYS 39 1HE LYS 39 3.944 -15.411 1.400 338 1HZ LYS 39 1HZ LYS 39 6.337 -14.965 1.297 339 2HZ LYS 39 2HZ LYS 39 5.907 -16.245 0.267 340 3HZ LYS 39 3HZ LYS 39 6.664 -16.565 1.753 341 H GLU 40 H GLU 40 5.819 -11.739 4.785 342 HA GLU 40 HA GLU 40 5.248 -11.942 7.720 343 1HB GLU 40 2HB GLU 40 7.140 -13.426 5.923 344 2HB GLU 40 1HB GLU 40 7.654 -13.095 7.577 345 1HG GLU 40 2HG GLU 40 4.914 -14.224 7.117 346 2HG GLU 40 1HG GLU 40 6.307 -15.301 7.022 347 H ARG 41 H ARG 41 7.963 -11.501 8.500 348 HA ARG 41 HA ARG 41 8.485 -8.780 7.352 349 1HB ARG 41 2HB ARG 41 9.354 -8.347 9.773 350 2HB ARG 41 1HB ARG 41 7.616 -8.385 9.510 351 1HG ARG 41 2HG ARG 41 7.674 -10.836 10.167 352 2HG ARG 41 1HG ARG 41 9.348 -10.585 10.660 353 1HD ARG 41 2HD ARG 41 7.273 -8.682 11.699 354 2HD ARG 41 1HD ARG 41 7.373 -10.302 12.413 355 HE ARG 41 HE ARG 41 9.893 -8.745 12.104 356 1HH1 ARG 41 1HH2 ARG 41 7.432 -10.135 14.148 357 2HH1 ARG 41 2HH2 ARG 41 8.386 -9.998 15.581 358 1HH2 ARG 41 1HH1 ARG 41 11.114 -8.570 13.989 359 2HH2 ARG 41 2HH1 ARG 41 10.456 -9.114 15.496 360 HA PRO 42 HA PRO 42 12.284 -11.473 7.097 361 1HB PRO 42 2HB PRO 42 12.601 -11.390 4.386 362 2HB PRO 42 1HB PRO 42 11.610 -12.614 5.202 363 1HG PRO 42 2HG PRO 42 10.777 -10.183 3.723 364 2HG PRO 42 1HG PRO 42 9.986 -11.760 3.845 365 1HD PRO 42 2HD PRO 42 9.230 -9.499 5.242 366 2HD PRO 42 1HD PRO 42 8.829 -11.166 5.704 367 H GLU 43 H GLU 43 14.434 -10.659 6.625 368 HA GLU 43 HA GLU 43 14.545 -7.763 5.841 369 1HB GLU 43 2HB GLU 43 14.754 -8.080 8.268 370 2HB GLU 43 1HB GLU 43 16.035 -9.266 8.023 371 1HG GLU 43 2HG GLU 43 17.013 -7.135 6.606 372 2HG GLU 43 1HG GLU 43 16.154 -6.316 7.911 373 H ALA 44 H ALA 44 16.352 -10.846 6.054 374 HA ALA 44 HA ALA 44 17.958 -11.766 4.589 375 1HB ALA 44 1HB ALA 44 17.902 -11.028 2.379 376 2HB ALA 44 2HB ALA 44 17.764 -9.332 2.840 377 3HB ALA 44 3HB ALA 44 16.365 -10.399 2.969 378 HA PRO 45 HA PRO 45 21.688 -9.787 5.792 379 1HB PRO 45 2HB PRO 45 23.451 -10.726 3.918 380 2HB PRO 45 1HB PRO 45 22.798 -11.733 5.225 381 1HG PRO 45 2HG PRO 45 22.012 -11.605 2.361 382 2HG PRO 45 1HG PRO 45 22.107 -13.000 3.446 383 1HD PRO 45 2HD PRO 45 19.768 -11.754 2.762 384 2HD PRO 45 1HD PRO 45 20.004 -12.667 4.268 385 H ASP 46 H ASP 46 21.126 -9.630 2.247 386 HA ASP 46 HA ASP 46 22.137 -6.804 2.312 387 1HB ASP 46 2HB ASP 46 23.291 -8.921 1.053 388 2HB ASP 46 1HB ASP 46 22.201 -8.370 -0.219 389 H GLN 47 H GLN 47 20.311 -8.828 -0.040 390 HA GLN 47 HA GLN 47 17.848 -7.304 0.290 391 1HB GLN 47 2HB GLN 47 19.962 -6.314 -1.408 392 2HB GLN 47 1HB GLN 47 18.563 -6.722 -2.400 393 1HG GLN 47 2HG GLN 47 18.265 -5.129 0.145 394 2HG GLN 47 1HG GLN 47 18.650 -4.345 -1.386 395 1HE2 GLN 47 1HE2 GLN 47 16.133 -4.018 0.124 396 2HE2 GLN 47 2HE2 GLN 47 14.889 -4.585 -0.880 397 H THR 48 H THR 48 18.129 -10.029 0.355 398 HA THR 48 HA THR 48 17.313 -11.012 -2.351 399 HB THR 48 HB THR 48 19.276 -12.042 -1.222 400 HG1 THR 48 1HG THR 48 17.017 -13.752 -1.359 401 1HG2 THR 48 1HG2 THR 48 18.396 -13.655 0.747 402 2HG2 THR 48 2HG2 THR 48 17.295 -12.298 0.979 403 3HG2 THR 48 3HG2 THR 48 19.038 -12.042 1.053 404 H LEU 49 H LEU 49 15.378 -9.577 -1.145 405 HA LEU 49 HA LEU 49 13.552 -11.479 0.256 406 1HB LEU 49 2HB LEU 49 13.437 -8.479 -0.205 407 2HB LEU 49 1HB LEU 49 12.324 -9.399 0.805 408 HG LEU 49 HG LEU 49 14.973 -10.078 1.614 409 1HD1 LEU 49 1HD1 LEU 49 15.320 -7.744 0.440 410 2HD1 LEU 49 2HD1 LEU 49 16.052 -8.048 2.016 411 3HD1 LEU 49 3HD1 LEU 49 14.559 -7.117 1.902 412 1HD2 LEU 49 1HD2 LEU 49 13.064 -8.226 3.051 413 2HD2 LEU 49 2HD2 LEU 49 14.175 -9.405 3.748 414 3HD2 LEU 49 3HD2 LEU 49 12.735 -9.951 2.889 415 HA PRO 50 HA PRO 50 11.523 -11.809 -3.732 416 1HB PRO 50 2HB PRO 50 9.712 -13.713 -2.975 417 2HB PRO 50 1HB PRO 50 11.404 -14.087 -3.353 418 1HG PRO 50 2HG PRO 50 10.066 -13.832 -0.718 419 2HG PRO 50 1HG PRO 50 11.370 -14.915 -1.224 420 1HD PRO 50 2HD PRO 50 11.720 -12.621 0.267 421 2HD PRO 50 1HD PRO 50 12.986 -13.405 -0.703 422 HA PRO 51 HA PRO 51 8.176 -9.038 -2.674 423 1HB PRO 51 2HB PRO 51 7.288 -8.597 -5.223 424 2HB PRO 51 1HB PRO 51 8.747 -7.832 -4.562 425 1HG PRO 51 2HG PRO 51 8.493 -10.157 -6.395 426 2HG PRO 51 1HG PRO 51 9.703 -8.867 -6.367 427 1HD PRO 51 2HD PRO 51 10.123 -11.396 -5.391 428 2HD PRO 51 1HD PRO 51 11.012 -9.956 -4.850 429 H LEU 52 H LEU 52 6.119 -9.589 -2.034 430 HA LEU 52 HA LEU 52 4.856 -12.007 -3.260 431 1HB LEU 52 2HB LEU 52 5.435 -11.700 -0.750 432 2HB LEU 52 1HB LEU 52 4.059 -10.598 -0.710 433 HG LEU 52 HG LEU 52 3.032 -12.785 -2.054 434 1HD1 LEU 52 1HD1 LEU 52 4.772 -13.784 0.221 435 2HD1 LEU 52 2HD1 LEU 52 5.103 -14.055 -1.490 436 3HD1 LEU 52 3HD1 LEU 52 3.663 -14.752 -0.748 437 1HD2 LEU 52 1HD2 LEU 52 3.001 -12.233 0.933 438 2HD2 LEU 52 2HD2 LEU 52 1.818 -13.202 0.055 439 3HD2 LEU 52 3HD2 LEU 52 1.947 -11.471 -0.257 440 H ASN 53 H ASN 53 3.807 -8.854 -1.876 441 HA ASN 53 HA ASN 53 1.611 -8.799 -3.929 442 1HB ASN 53 2HB ASN 53 1.038 -9.077 -1.473 443 2HB ASN 53 1HB ASN 53 1.727 -7.479 -1.199 444 1HD2 ASN 53 1HD2 ASN 53 -0.419 -8.766 -3.816 445 2HD2 ASN 53 2HD2 ASN 53 -1.600 -7.564 -3.623 446 H ASN 54 H ASN 54 1.661 -7.058 -5.334 447 HA ASN 54 HA ASN 54 3.451 -4.753 -4.613 448 1HB ASN 54 2HB ASN 54 3.034 -6.357 -7.125 449 2HB ASN 54 1HB ASN 54 3.605 -4.691 -7.241 450 1HD2 ASN 54 1HD2 ASN 54 5.857 -4.711 -7.440 451 2HD2 ASN 54 2HD2 ASN 54 6.898 -5.728 -6.567 452 H PHE 55 H PHE 55 2.285 -2.927 -4.327 453 HA PHE 55 HA PHE 55 -0.314 -2.564 -5.789 454 1HB PHE 55 2HB PHE 55 0.729 -2.034 -3.080 455 2HB PHE 55 1HB PHE 55 -0.154 -0.674 -3.768 456 HD1 PHE 55 1HD PHE 55 -2.532 -0.760 -4.094 457 HD2 PHE 55 2HD PHE 55 -0.373 -4.268 -2.873 458 HE1 PHE 55 1HE PHE 55 -4.673 -1.905 -3.598 459 HE2 PHE 55 2HE PHE 55 -2.517 -5.413 -2.379 460 HZ PHE 55 HZ PHE 55 -4.667 -4.231 -2.741 461 H SER 56 H SER 56 -0.647 -0.520 -6.872 462 HA SER 56 HA SER 56 1.801 1.203 -7.126 463 1HB SER 56 2HB SER 56 0.928 1.467 -9.544 464 2HB SER 56 1HB SER 56 1.666 -0.074 -9.121 465 HG SER 56 HG SER 56 -0.198 -0.710 -9.978 466 H VAL 57 H VAL 57 1.404 3.308 -6.623 467 HA VAL 57 HA VAL 57 -1.389 4.354 -6.939 468 HB VAL 57 HB VAL 57 -0.739 3.719 -4.584 469 1HG1 VAL 57 1HG1 VAL 57 0.814 5.582 -3.544 470 2HG1 VAL 57 2HG1 VAL 57 1.437 5.693 -5.189 471 3HG1 VAL 57 3HG1 VAL 57 1.526 4.165 -4.314 472 1HG2 VAL 57 1HG2 VAL 57 -1.817 5.564 -3.645 473 2HG2 VAL 57 2HG2 VAL 57 -2.301 5.693 -5.336 474 3HG2 VAL 57 3HG2 VAL 57 -1.003 6.710 -4.708 475 H ALA 58 H ALA 58 1.074 4.606 -8.660 476 HA ALA 58 HA ALA 58 2.107 7.321 -8.329 477 1HB ALA 58 1HB ALA 58 3.397 5.504 -9.362 478 2HB ALA 58 2HB ALA 58 3.138 6.790 -10.543 479 3HB ALA 58 3HB ALA 58 2.167 5.319 -10.614 480 H GLU 59 H GLU 59 -0.251 5.738 -10.488 481 HA GLU 59 HA GLU 59 -1.335 8.450 -11.179 482 1HB GLU 59 2HB GLU 59 -1.779 7.457 -13.442 483 2HB GLU 59 1HB GLU 59 -0.063 7.519 -13.047 484 1HG GLU 59 2HG GLU 59 0.030 5.308 -13.487 485 2HG GLU 59 1HG GLU 59 -0.943 5.045 -12.042 486 H CYS 60 H CYS 60 -2.151 6.400 -9.104 487 HA CYS 60 HA CYS 60 -4.851 5.646 -10.162 488 1HB CYS 60 2HB CYS 60 -3.044 4.592 -7.975 489 2HB CYS 60 1HB CYS 60 -4.733 4.103 -8.108 490 H GLN 61 H GLN 61 -6.503 5.576 -8.228 491 HA GLN 61 HA GLN 61 -6.395 8.235 -6.858 492 1HB GLN 61 2HB GLN 61 -8.232 7.341 -8.521 493 2HB GLN 61 1HB GLN 61 -8.806 6.448 -7.113 494 1HG GLN 61 2HG GLN 61 -8.227 9.386 -6.858 495 2HG GLN 61 1HG GLN 61 -9.740 8.862 -7.595 496 1HE2 GLN 61 1HE2 GLN 61 -10.598 6.740 -6.107 497 2HE2 GLN 61 2HE2 GLN 61 -10.736 7.149 -4.465 498 H LEU 62 H LEU 62 -6.736 8.343 -4.590 499 HA LEU 62 HA LEU 62 -6.977 5.739 -3.119 500 1HB LEU 62 2HB LEU 62 -4.611 6.857 -3.434 501 2HB LEU 62 1HB LEU 62 -5.178 7.963 -2.182 502 HG LEU 62 HG LEU 62 -5.666 5.101 -1.619 503 1HD1 LEU 62 1HD1 LEU 62 -2.859 6.248 -1.698 504 2HD1 LEU 62 2HD1 LEU 62 -3.470 4.906 -2.666 505 3HD1 LEU 62 3HD1 LEU 62 -3.302 4.728 -0.920 506 1HD2 LEU 62 1HD2 LEU 62 -6.150 6.757 0.065 507 2HD2 LEU 62 2HD2 LEU 62 -4.553 7.483 -0.110 508 3HD2 LEU 62 3HD2 LEU 62 -4.718 5.879 0.602 509 H MET 63 H MET 63 -8.448 5.851 -1.437 510 HA MET 63 HA MET 63 -9.156 8.510 -0.288 511 1HB MET 63 2HB MET 63 -11.513 8.159 -0.772 512 2HB MET 63 1HB MET 63 -10.611 7.979 -2.275 513 1HG MET 63 2HG MET 63 -10.594 5.488 -1.883 514 2HG MET 63 1HG MET 63 -11.666 5.751 -0.508 515 1HE MET 63 1HE MET 63 -14.262 4.925 -1.181 516 2HE MET 63 2HE MET 63 -14.969 6.466 -1.659 517 3HE MET 63 3HE MET 63 -13.733 6.424 -0.404 518 H LYS 64 H LYS 64 -10.057 8.356 1.833 519 HA LYS 64 HA LYS 64 -9.526 5.797 3.230 520 1HB LYS 64 2HB LYS 64 -10.271 8.612 4.073 521 2HB LYS 64 1HB LYS 64 -10.065 7.292 5.225 522 1HG LYS 64 2HG LYS 64 -7.756 6.937 4.365 523 2HG LYS 64 1HG LYS 64 -7.965 8.321 3.293 524 1HD LYS 64 2HD LYS 64 -8.282 8.479 6.302 525 2HD LYS 64 1HD LYS 64 -6.775 8.848 5.464 526 1HE LYS 64 2HE LYS 64 -9.370 10.214 4.701 527 2HE LYS 64 1HE LYS 64 -8.319 10.855 5.978 528 1HZ LYS 64 1HZ LYS 64 -7.570 10.298 3.156 529 2HZ LYS 64 2HZ LYS 64 -6.447 10.682 4.372 530 3HZ LYS 64 3HZ LYS 64 -7.629 11.814 3.915 531 H THR 65 H THR 65 -11.189 4.726 4.505 532 HA THR 65 HA THR 65 -13.992 5.634 4.175 533 HB THR 65 HB THR 65 -13.367 4.359 2.128 534 HG1 THR 65 1HG THR 65 -15.156 3.054 2.194 535 1HG2 THR 65 1HG2 THR 65 -11.690 2.859 2.937 536 2HG2 THR 65 2HG2 THR 65 -13.054 1.852 2.451 537 3HG2 THR 65 3HG2 THR 65 -12.777 2.195 4.158 538 H GLU 66 H GLU 66 -15.487 3.897 5.269 539 HA GLU 66 HA GLU 66 -14.116 2.847 7.728 540 1HB GLU 66 2HB GLU 66 -16.186 3.478 8.910 541 2HB GLU 66 1HB GLU 66 -15.507 4.871 8.071 542 1HG GLU 66 2HG GLU 66 -17.405 5.119 6.884 543 2HG GLU 66 1HG GLU 66 -17.272 3.468 6.279 544 H ARG 67 H ARG 67 -15.061 1.557 5.019 545 HA ARG 67 HA ARG 67 -16.525 -0.711 6.316 546 1HB ARG 67 2HB ARG 67 -17.194 0.989 3.959 547 2HB ARG 67 1HB ARG 67 -17.546 -0.734 3.820 548 1HG ARG 67 2HG ARG 67 -19.026 -0.705 5.658 549 2HG ARG 67 1HG ARG 67 -18.388 0.827 6.259 550 1HD ARG 67 2HD ARG 67 -19.238 1.783 3.960 551 2HD ARG 67 1HD ARG 67 -20.274 0.345 3.960 552 HE ARG 67 HE ARG 67 -20.340 2.531 5.971 553 1HH1 ARG 67 1HH2 ARG 67 -21.461 -0.593 4.901 554 2HH1 ARG 67 2HH2 ARG 67 -22.868 -0.558 5.903 555 1HH2 ARG 67 1HH1 ARG 67 -22.169 2.550 7.276 556 2HH2 ARG 67 2HH1 ARG 67 -23.268 1.212 7.245 557 HA PRO 68 HA PRO 68 -17.215 -2.647 5.698 558 1HB PRO 68 2HB PRO 68 -16.219 -5.013 6.643 559 2HB PRO 68 1HB PRO 68 -16.865 -4.817 5.003 560 1HG PRO 68 2HG PRO 68 -14.039 -4.864 5.929 561 2HG PRO 68 1HG PRO 68 -14.761 -5.559 4.471 562 1HD PRO 68 2HD PRO 68 -13.349 -3.230 4.482 563 2HD PRO 68 1HD PRO 68 -14.633 -3.593 3.310 564 H ARG 69 H ARG 69 -13.964 -2.161 6.893 565 HA ARG 69 HA ARG 69 -15.020 -2.007 9.702 566 1HB ARG 69 2HB ARG 69 -12.895 -3.475 8.547 567 2HB ARG 69 1HB ARG 69 -12.133 -2.176 9.464 568 1HG ARG 69 2HG ARG 69 -12.723 -3.092 11.447 569 2HG ARG 69 1HG ARG 69 -14.366 -3.422 10.899 570 1HD ARG 69 2HD ARG 69 -12.125 -5.104 9.810 571 2HD ARG 69 1HD ARG 69 -12.742 -5.440 11.440 572 HE ARG 69 HE ARG 69 -15.010 -5.101 9.804 573 1HH1 ARG 69 1HH2 ARG 69 -12.256 -7.218 10.016 574 2HH1 ARG 69 2HH2 ARG 69 -13.090 -8.564 9.320 575 1HH2 ARG 69 1HH1 ARG 69 -16.086 -6.866 8.900 576 2HH2 ARG 69 2HH1 ARG 69 -15.249 -8.367 8.689 577 HA PRO 70 HA PRO 70 -13.948 2.267 9.732 578 1HB PRO 70 2HB PRO 70 -12.974 2.609 12.272 579 2HB PRO 70 1HB PRO 70 -14.699 2.383 11.913 580 1HG PRO 70 2HG PRO 70 -12.690 0.397 12.869 581 2HG PRO 70 1HG PRO 70 -14.376 0.624 13.367 582 1HD PRO 70 2HD PRO 70 -13.613 -1.331 11.663 583 2HD PRO 70 1HD PRO 70 -15.206 -0.547 11.568 584 H ASN 71 H ASN 71 -12.097 3.764 9.782 585 HA ASN 71 HA ASN 71 -9.861 4.338 9.294 586 1HB ASN 71 2HB ASN 71 -9.938 2.483 11.538 587 2HB ASN 71 1HB ASN 71 -8.426 2.325 10.644 588 1HD2 ASN 71 1HD2 ASN 71 -10.450 4.654 12.437 589 2HD2 ASN 71 2HD2 ASN 71 -9.215 5.794 12.669 590 H THR 72 H THR 72 -10.880 3.137 7.151 591 HA THR 72 HA THR 72 -8.932 0.983 6.384 592 HB THR 72 HB THR 72 -11.820 1.545 5.680 593 HG1 THR 72 1HG THR 72 -12.051 0.051 7.111 594 1HG2 THR 72 1HG2 THR 72 -10.864 0.960 3.572 595 2HG2 THR 72 2HG2 THR 72 -11.571 -0.526 4.203 596 3HG2 THR 72 3HG2 THR 72 -9.830 -0.266 4.302 597 H PHE 73 H PHE 73 -8.127 1.065 4.190 598 HA PHE 73 HA PHE 73 -8.251 3.795 2.942 599 1HB PHE 73 2HB PHE 73 -6.096 1.906 3.672 600 2HB PHE 73 1HB PHE 73 -5.925 2.633 2.074 601 HD1 PHE 73 1HD PHE 73 -5.482 3.110 5.588 602 HD2 PHE 73 2HD PHE 73 -6.205 5.209 1.912 603 HE1 PHE 73 1HE PHE 73 -4.677 5.209 6.627 604 HE2 PHE 73 2HE PHE 73 -5.401 7.311 2.953 605 HZ PHE 73 HZ PHE 73 -4.639 7.309 5.314 606 H VAL 74 H VAL 74 -8.935 3.849 0.834 607 HA VAL 74 HA VAL 74 -9.146 1.248 -0.658 608 HB VAL 74 HB VAL 74 -10.848 3.762 -0.615 609 1HG1 VAL 74 1HG1 VAL 74 -12.302 2.452 -2.239 610 2HG1 VAL 74 2HG1 VAL 74 -10.932 1.363 -2.461 611 3HG1 VAL 74 3HG1 VAL 74 -10.789 3.062 -2.910 612 1HG2 VAL 74 1HG2 VAL 74 -12.490 2.446 0.411 613 2HG2 VAL 74 2HG2 VAL 74 -11.012 1.826 1.146 614 3HG2 VAL 74 3HG2 VAL 74 -11.784 0.938 -0.168 615 H ILE 75 H ILE 75 -7.961 1.165 -2.538 616 HA ILE 75 HA ILE 75 -7.175 3.754 -3.837 617 HB ILE 75 HB ILE 75 -5.320 2.880 -2.484 618 1HG1 ILE 75 2HG1 ILE 75 -4.882 2.364 -5.444 619 2HG1 ILE 75 1HG1 ILE 75 -4.812 3.945 -4.666 620 1HG2 ILE 75 1HG2 ILE 75 -4.422 0.689 -2.730 621 2HG2 ILE 75 2HG2 ILE 75 -5.361 0.382 -4.191 622 3HG2 ILE 75 3HG2 ILE 75 -6.167 0.461 -2.624 623 1HD1 ILE 75 1HD1 ILE 75 -2.548 3.046 -4.916 624 2HD1 ILE 75 2HD1 ILE 75 -3.016 1.576 -4.063 625 3HD1 ILE 75 3HD1 ILE 75 -2.975 3.118 -3.207 626 H ARG 76 H ARG 76 -8.160 3.721 -5.822 627 HA ARG 76 HA ARG 76 -8.223 1.111 -7.312 628 1HB ARG 76 2HB ARG 76 -10.394 2.086 -6.359 629 2HB ARG 76 1HB ARG 76 -10.209 3.384 -7.540 630 1HG ARG 76 2HG ARG 76 -10.553 1.966 -9.359 631 2HG ARG 76 1HG ARG 76 -10.025 0.535 -8.473 632 1HD ARG 76 2HD ARG 76 -12.609 2.048 -7.949 633 2HD ARG 76 1HD ARG 76 -12.484 0.497 -8.804 634 HE ARG 76 HE ARG 76 -11.239 -0.239 -6.604 635 1HH1 ARG 76 1HH2 ARG 76 -13.994 1.881 -6.842 636 2HH1 ARG 76 2HH2 ARG 76 -14.455 1.647 -5.193 637 1HH2 ARG 76 1HH1 ARG 76 -11.844 -0.501 -4.457 638 2HH2 ARG 76 2HH1 ARG 76 -13.251 0.306 -3.849 639 H CYS 77 H CYS 77 -7.964 1.249 -9.609 640 HA CYS 77 HA CYS 77 -6.704 3.796 -10.584 641 1HB CYS 77 2HB CYS 77 -6.197 0.912 -11.407 642 2HB CYS 77 1HB CYS 77 -5.295 2.323 -11.958 643 H LEU 78 H LEU 78 -6.641 3.116 -13.311 644 HA LEU 78 HA LEU 78 -9.310 3.743 -14.180 645 1HB LEU 78 2HB LEU 78 -6.835 3.966 -15.209 646 2HB LEU 78 1HB LEU 78 -7.332 2.486 -16.030 647 HG LEU 78 HG LEU 78 -9.523 3.809 -16.562 648 1HD1 LEU 78 1HD1 LEU 78 -9.418 6.155 -16.509 649 2HD1 LEU 78 2HD1 LEU 78 -7.661 6.169 -16.369 650 3HD1 LEU 78 3HD1 LEU 78 -8.650 5.701 -14.987 651 1HD2 LEU 78 1HD2 LEU 78 -7.800 3.100 -18.220 652 2HD2 LEU 78 2HD2 LEU 78 -6.905 4.584 -17.890 653 3HD2 LEU 78 3HD2 LEU 78 -8.508 4.664 -18.621 654 H GLN 79 H GLN 79 -7.639 0.690 -13.674 655 HA GLN 79 HA GLN 79 -8.374 -1.539 -13.811 656 1HB GLN 79 2HB GLN 79 -11.076 -0.155 -13.971 657 2HB GLN 79 1HB GLN 79 -10.812 -1.847 -13.561 658 1HG GLN 79 2HG GLN 79 -9.182 -0.742 -11.738 659 2HG GLN 79 1HG GLN 79 -10.313 0.597 -11.929 660 1HE2 GLN 79 1HE2 GLN 79 -9.893 -1.584 -9.720 661 2HE2 GLN 79 2HE2 GLN 79 -11.466 -2.159 -9.443 662 H TRP 80 H TRP 80 -7.572 -2.242 -15.794 663 HA TRP 80 HA TRP 80 -9.194 -1.684 -18.247 664 1HB TRP 80 2HB TRP 80 -6.549 -1.352 -17.769 665 2HB TRP 80 1HB TRP 80 -6.531 -3.015 -18.355 666 HD1 TRP 80 HD TRP 80 -6.841 0.525 -19.501 667 HE1 TRP 80 1HE TRP 80 -7.238 0.594 -22.047 668 HE3 TRP 80 3HE TRP 80 -7.781 -4.417 -20.381 669 HZ2 TRP 80 2HZ TRP 80 -7.871 -1.210 -24.177 670 HZ3 TRP 80 3HZ TRP 80 -8.278 -5.213 -22.675 671 HH2 TRP 80 HH TRP 80 -8.323 -3.618 -24.571 672 H THR 81 H THR 81 -7.382 -4.368 -16.694 673 HA THR 81 HA THR 81 -9.176 -6.315 -18.094 674 HB THR 81 HB THR 81 -6.484 -6.637 -16.714 675 HG1 THR 81 1HG THR 81 -7.213 -6.504 -19.456 676 1HG2 THR 81 1HG2 THR 81 -6.493 -8.822 -18.004 677 2HG2 THR 81 2HG2 THR 81 -8.205 -8.537 -18.322 678 3HG2 THR 81 3HG2 THR 81 -7.638 -8.739 -16.665 679 H THR 82 H THR 82 -7.632 -5.741 -14.901 680 HA THR 82 HA THR 82 -9.550 -7.587 -13.599 681 HB THR 82 HB THR 82 -8.084 -6.753 -11.577 682 HG1 THR 82 1HG THR 82 -6.456 -5.522 -12.078 683 1HG2 THR 82 1HG2 THR 82 -6.307 -8.149 -13.462 684 2HG2 THR 82 2HG2 THR 82 -7.912 -8.866 -13.323 685 3HG2 THR 82 3HG2 THR 82 -6.908 -8.665 -11.886 686 H VAL 83 H VAL 83 -11.376 -6.875 -12.589 687 HA VAL 83 HA VAL 83 -11.596 -3.959 -11.920 688 HB VAL 83 HB VAL 83 -12.872 -4.511 -13.928 689 1HG1 VAL 83 1HG1 VAL 83 -13.374 -6.971 -12.502 690 2HG1 VAL 83 2HG1 VAL 83 -13.673 -6.594 -14.199 691 3HG1 VAL 83 3HG1 VAL 83 -14.903 -6.240 -12.986 692 1HG2 VAL 83 1HG2 VAL 83 -13.860 -3.119 -11.908 693 2HG2 VAL 83 2HG2 VAL 83 -14.994 -4.465 -11.807 694 3HG2 VAL 83 3HG2 VAL 83 -14.877 -3.520 -13.291 695 H ILE 84 H ILE 84 -10.988 -4.465 -9.711 696 HA ILE 84 HA ILE 84 -13.201 -5.731 -8.139 697 HB ILE 84 HB ILE 84 -11.096 -7.172 -8.659 698 1HG1 ILE 84 2HG1 ILE 84 -11.426 -6.977 -5.706 699 2HG1 ILE 84 1HG1 ILE 84 -12.892 -7.249 -6.647 700 1HG2 ILE 84 1HG2 ILE 84 -9.134 -6.770 -7.362 701 2HG2 ILE 84 2HG2 ILE 84 -9.936 -5.532 -6.397 702 3HG2 ILE 84 3HG2 ILE 84 -9.548 -5.217 -8.087 703 1HD1 ILE 84 1HD1 ILE 84 -11.724 -9.366 -5.922 704 2HD1 ILE 84 2HD1 ILE 84 -10.375 -8.904 -6.961 705 3HD1 ILE 84 3HD1 ILE 84 -11.959 -9.228 -7.665 706 H GLU 85 H GLU 85 -12.889 -5.136 -5.710 707 HA GLU 85 HA GLU 85 -12.324 -2.232 -5.549 708 1HB GLU 85 2HB GLU 85 -14.411 -2.997 -4.641 709 2HB GLU 85 1HB GLU 85 -13.621 -4.298 -3.754 710 1HG GLU 85 2HG GLU 85 -13.171 -2.950 -2.003 711 2HG GLU 85 1HG GLU 85 -12.514 -1.694 -3.049 712 H ARG 86 H ARG 86 -10.093 -1.943 -5.345 713 HA ARG 86 HA ARG 86 -8.431 -3.677 -3.667 714 1HB ARG 86 2HB ARG 86 -8.156 -1.590 -5.662 715 2HB ARG 86 1HB ARG 86 -7.099 -1.261 -4.288 716 1HG ARG 86 2HG ARG 86 -6.201 -3.565 -4.437 717 2HG ARG 86 1HG ARG 86 -7.227 -3.865 -5.839 718 1HD ARG 86 2HD ARG 86 -5.313 -1.527 -5.813 719 2HD ARG 86 1HD ARG 86 -4.775 -3.142 -6.296 720 HE ARG 86 HE ARG 86 -7.083 -1.728 -7.586 721 1HH1 ARG 86 1HH2 ARG 86 -4.372 -3.933 -7.721 722 2HH1 ARG 86 2HH2 ARG 86 -4.548 -4.213 -9.415 723 1HH2 ARG 86 1HH1 ARG 86 -7.280 -2.114 -9.779 724 2HH2 ARG 86 2HH1 ARG 86 -6.186 -3.194 -10.575 725 H THR 87 H THR 87 -9.131 -3.503 -1.505 726 HA THR 87 HA THR 87 -8.830 -0.793 -0.248 727 HB THR 87 HB THR 87 -10.884 -2.947 0.368 728 HG1 THR 87 1HG THR 87 -10.943 -0.611 -1.200 729 1HG2 THR 87 1HG2 THR 87 -10.345 -1.605 2.323 730 2HG2 THR 87 2HG2 THR 87 -11.931 -1.130 1.718 731 3HG2 THR 87 3HG2 THR 87 -10.525 -0.119 1.390 732 H PHE 88 H PHE 88 -7.684 -0.799 1.706 733 HA PHE 88 HA PHE 88 -7.010 -3.456 2.900 734 1HB PHE 88 2HB PHE 88 -4.752 -3.106 2.649 735 2HB PHE 88 1HB PHE 88 -5.295 -2.130 1.292 736 HD1 PHE 88 1HD PHE 88 -4.626 0.112 1.150 737 HD2 PHE 88 2HD PHE 88 -4.560 -1.868 4.963 738 HE1 PHE 88 1HE PHE 88 -3.528 2.091 2.164 739 HE2 PHE 88 2HE PHE 88 -3.476 0.115 5.973 740 HZ PHE 88 HZ PHE 88 -2.952 2.091 4.579 741 H HIS 89 H HIS 89 -6.710 -3.409 5.169 742 HA HIS 89 HA HIS 89 -7.769 -0.959 6.525 743 1HB HIS 89 2HB HIS 89 -7.622 -3.904 7.235 744 2HB HIS 89 1HB HIS 89 -8.198 -2.673 8.355 745 HD1 HIS 89 1HD HIS 89 -10.534 -3.997 8.209 746 HD2 HIS 89 2HD HIS 89 -9.356 -2.060 4.713 747 HE1 HIS 89 1HE HIS 89 -12.587 -3.865 6.736 748 H VAL 90 H VAL 90 -6.687 -0.227 8.477 749 HA VAL 90 HA VAL 90 -3.778 -0.896 8.524 750 HB VAL 90 HB VAL 90 -3.637 1.213 9.845 751 1HG1 VAL 90 1HG1 VAL 90 -3.390 1.509 7.509 752 2HG1 VAL 90 2HG1 VAL 90 -4.593 2.710 7.977 753 3HG1 VAL 90 3HG1 VAL 90 -5.101 1.210 7.205 754 1HG2 VAL 90 1HG2 VAL 90 -6.271 0.724 10.481 755 2HG2 VAL 90 2HG2 VAL 90 -6.424 1.987 9.260 756 3HG2 VAL 90 3HG2 VAL 90 -5.459 2.273 10.704 757 H ASP 91 H ASP 91 -2.731 -1.231 10.644 758 HA ASP 91 HA ASP 91 -4.208 -3.070 12.341 759 1HB ASP 91 2HB ASP 91 -1.478 -1.826 12.237 760 2HB ASP 91 1HB ASP 91 -1.971 -2.655 13.714 761 H SER 92 H SER 92 -3.431 0.379 12.538 762 HA SER 92 HA SER 92 -5.223 0.611 14.898 763 1HB SER 92 2HB SER 92 -3.535 1.544 16.284 764 2HB SER 92 1HB SER 92 -2.732 0.189 15.499 765 HG SER 92 HG SER 92 -1.448 2.037 15.349 766 HA PRO 93 HA PRO 93 -6.324 4.462 13.076 767 1HB PRO 93 2HB PRO 93 -6.432 6.198 15.198 768 2HB PRO 93 1HB PRO 93 -7.655 4.946 14.902 769 1HG PRO 93 2HG PRO 93 -5.347 4.926 16.789 770 2HG PRO 93 1HG PRO 93 -7.003 4.344 17.027 771 1HD PRO 93 2HD PRO 93 -4.939 2.679 16.494 772 2HD PRO 93 1HD PRO 93 -6.600 2.348 15.953 773 H ASP 94 H ASP 94 -3.613 4.738 15.385 774 HA ASP 94 HA ASP 94 -2.496 7.173 14.343 775 1HB ASP 94 2HB ASP 94 -1.670 4.884 16.076 776 2HB ASP 94 1HB ASP 94 -0.382 5.900 15.428 777 H GLU 95 H GLU 95 -2.067 3.741 13.457 778 HA GLU 95 HA GLU 95 0.177 4.117 11.683 779 1HB GLU 95 2HB GLU 95 -1.097 2.004 12.769 780 2HB GLU 95 1HB GLU 95 -1.870 1.996 11.184 781 1HG GLU 95 2HG GLU 95 0.007 0.651 10.807 782 2HG GLU 95 1HG GLU 95 0.584 2.234 10.283 783 H ARG 96 H ARG 96 -3.358 3.958 11.090 784 HA ARG 96 HA ARG 96 -3.347 4.277 8.269 785 1HB ARG 96 2HB ARG 96 -5.410 3.759 9.200 786 2HB ARG 96 1HB ARG 96 -5.187 4.850 10.562 787 1HG ARG 96 2HG ARG 96 -5.340 6.187 7.929 788 2HG ARG 96 1HG ARG 96 -6.819 5.367 8.427 789 1HD ARG 96 2HD ARG 96 -6.315 6.577 10.748 790 2HD ARG 96 1HD ARG 96 -5.429 7.700 9.697 791 HE ARG 96 HE ARG 96 -8.081 6.991 8.679 792 1HH1 ARG 96 1HH2 ARG 96 -6.231 9.131 10.707 793 2HH1 ARG 96 2HH2 ARG 96 -7.386 10.414 10.610 794 1HH2 ARG 96 1HH1 ARG 96 -9.578 8.667 8.553 795 2HH2 ARG 96 2HH1 ARG 96 -9.278 10.156 9.388 796 H GLU 97 H GLU 97 -3.255 6.744 10.852 797 HA GLU 97 HA GLU 97 -3.396 9.064 9.179 798 1HB GLU 97 2HB GLU 97 -3.607 8.729 11.744 799 2HB GLU 97 1HB GLU 97 -1.846 8.830 11.764 800 1HG GLU 97 2HG GLU 97 -2.879 10.964 10.137 801 2HG GLU 97 1HG GLU 97 -3.703 10.979 11.697 802 H GLU 98 H GLU 98 -0.634 7.113 10.314 803 HA GLU 98 HA GLU 98 1.438 8.800 9.220 804 1HB GLU 98 2HB GLU 98 1.504 6.892 10.982 805 2HB GLU 98 1HB GLU 98 1.577 5.803 9.595 806 1HG GLU 98 2HG GLU 98 3.437 8.021 9.297 807 2HG GLU 98 1HG GLU 98 3.742 7.125 10.783 808 H TRP 99 H TRP 99 -0.350 5.978 7.959 809 HA TRP 99 HA TRP 99 1.106 5.589 5.537 810 1HB TRP 99 2HB TRP 99 -1.784 5.143 6.335 811 2HB TRP 99 1HB TRP 99 -1.125 4.582 4.798 812 HD1 TRP 99 HD TRP 99 -1.921 3.155 7.894 813 HE1 TRP 99 1HE TRP 99 -0.360 1.230 8.577 814 HE3 TRP 99 3HE TRP 99 1.984 4.018 4.719 815 HZ2 TRP 99 2HZ TRP 99 2.204 0.180 7.866 816 HZ3 TRP 99 3HZ TRP 99 3.974 2.540 4.744 817 HH2 TRP 99 HH TRP 99 4.085 0.625 6.313 818 H MET 100 H MET 100 -1.760 7.636 6.208 819 HA MET 100 HA MET 100 -2.141 8.664 3.570 820 1HB MET 100 2HB MET 100 -3.678 8.868 5.546 821 2HB MET 100 1HB MET 100 -2.555 10.025 6.260 822 1HG MET 100 2HG MET 100 -4.390 11.189 5.092 823 2HG MET 100 1HG MET 100 -2.843 11.511 4.311 824 1HE MET 100 1HE MET 100 -3.842 12.176 1.848 825 2HE MET 100 2HE MET 100 -3.349 10.807 0.855 826 3HE MET 100 3HE MET 100 -2.329 11.327 2.193 827 H ARG 101 H ARG 101 -0.054 9.724 6.246 828 HA ARG 101 HA ARG 101 0.960 12.142 5.095 829 1HB ARG 101 2HB ARG 101 1.123 11.060 7.480 830 2HB ARG 101 1HB ARG 101 2.560 10.268 6.834 831 1HG ARG 101 2HG ARG 101 3.767 12.205 6.785 832 2HG ARG 101 1HG ARG 101 2.380 13.171 6.281 833 1HD ARG 101 2HD ARG 101 2.756 13.947 8.472 834 2HD ARG 101 1HD ARG 101 1.518 12.703 8.732 835 HE ARG 101 HE ARG 101 3.987 11.355 8.805 836 1HH1 ARG 101 1HH2 ARG 101 2.384 13.899 10.557 837 2HH1 ARG 101 2HH2 ARG 101 3.187 13.542 12.047 838 1HH2 ARG 101 1HH1 ARG 101 5.021 10.893 10.756 839 2HH2 ARG 101 2HH1 ARG 101 4.674 11.844 12.160 840 H ALA 102 H ALA 102 2.180 8.777 4.981 841 HA ALA 102 HA ALA 102 4.543 9.277 3.443 842 1HB ALA 102 1HB ALA 102 2.953 6.758 3.132 843 2HB ALA 102 2HB ALA 102 3.518 7.184 4.748 844 3HB ALA 102 3HB ALA 102 4.678 6.960 3.439 845 H ILE 103 H ILE 103 1.222 8.403 2.436 846 HA ILE 103 HA ILE 103 1.669 8.177 -0.368 847 HB ILE 103 HB ILE 103 -0.716 9.101 1.276 848 1HG1 ILE 103 2HG1 ILE 103 -0.347 6.430 -0.076 849 2HG1 ILE 103 1HG1 ILE 103 0.362 6.732 1.509 850 1HG2 ILE 103 1HG2 ILE 103 -2.074 8.510 -0.714 851 2HG2 ILE 103 2HG2 ILE 103 -0.594 8.212 -1.625 852 3HG2 ILE 103 3HG2 ILE 103 -0.968 9.841 -1.059 853 1HD1 ILE 103 1HD1 ILE 103 -2.111 7.658 1.990 854 2HD1 ILE 103 2HD1 ILE 103 -1.687 5.959 2.203 855 3HD1 ILE 103 3HD1 ILE 103 -2.502 6.487 0.731 856 H GLN 104 H GLN 104 0.927 11.030 1.649 857 HA GLN 104 HA GLN 104 0.713 12.933 -0.504 858 1HB GLN 104 2HB GLN 104 -0.134 13.249 1.803 859 2HB GLN 104 1HB GLN 104 1.521 13.248 2.409 860 1HG GLN 104 2HG GLN 104 0.718 15.555 2.170 861 2HG GLN 104 1HG GLN 104 2.016 15.245 1.020 862 1HE2 GLN 104 1HE2 GLN 104 1.437 15.063 -1.277 863 2HE2 GLN 104 2HE2 GLN 104 -0.076 15.587 -1.841 864 H MET 105 H MET 105 3.444 11.924 1.575 865 HA MET 105 HA MET 105 5.408 13.758 0.623 866 1HB MET 105 2HB MET 105 5.380 11.005 1.837 867 2HB MET 105 1HB MET 105 6.910 11.701 1.309 868 1HG MET 105 2HG MET 105 6.849 13.394 2.896 869 2HG MET 105 1HG MET 105 5.089 13.374 2.998 870 1HE MET 105 1HE MET 105 7.752 10.443 3.158 871 2HE MET 105 2HE MET 105 8.050 10.419 4.894 872 3HE MET 105 3HE MET 105 8.425 11.867 3.963 873 H VAL 106 H VAL 106 4.357 10.594 -0.639 874 HA VAL 106 HA VAL 106 6.363 10.429 -2.732 875 HB VAL 106 HB VAL 106 3.627 9.148 -2.374 876 1HG1 VAL 106 1HG1 VAL 106 5.334 7.455 -3.833 877 2HG1 VAL 106 2HG1 VAL 106 5.546 9.050 -4.553 878 3HG1 VAL 106 3HG1 VAL 106 3.938 8.334 -4.455 879 1HG2 VAL 106 1HG2 VAL 106 6.047 8.830 -0.939 880 2HG2 VAL 106 2HG2 VAL 106 5.914 7.419 -1.989 881 3HG2 VAL 106 3HG2 VAL 106 4.616 7.803 -0.859 882 H ALA 107 H ALA 107 2.970 11.556 -2.602 883 HA ALA 107 HA ALA 107 2.581 12.131 -5.359 884 1HB ALA 107 1HB ALA 107 1.529 13.199 -2.744 885 2HB ALA 107 2HB ALA 107 0.698 12.217 -3.950 886 3HB ALA 107 3HB ALA 107 1.005 13.924 -4.264 887 H ASN 108 H ASN 108 4.079 14.078 -2.770 888 HA ASN 108 HA ASN 108 4.438 16.512 -4.247 889 1HB ASN 108 2HB ASN 108 5.621 15.164 -1.842 890 2HB ASN 108 1HB ASN 108 6.455 16.575 -2.493 891 1HD2 ASN 108 1HD2 ASN 108 3.661 15.525 -0.683 892 2HD2 ASN 108 2HD2 ASN 108 2.983 17.064 -0.457 893 H SER 109 H SER 109 6.359 13.532 -4.043 894 HA SER 109 HA SER 109 8.592 14.623 -5.622 895 1HB SER 109 2HB SER 109 8.591 12.835 -3.743 896 2HB SER 109 1HB SER 109 7.997 11.729 -4.978 897 HG SER 109 HG SER 109 10.063 11.534 -5.388 898 H LEU 110 H LEU 110 5.705 12.649 -6.168 899 HA LEU 110 HA LEU 110 6.353 11.612 -8.761 900 1HB LEU 110 2HB LEU 110 4.073 11.858 -6.941 901 2HB LEU 110 1HB LEU 110 3.584 11.947 -8.631 902 HG LEU 110 HG LEU 110 4.659 9.831 -9.122 903 1HD1 LEU 110 1HD1 LEU 110 6.574 9.504 -7.919 904 2HD1 LEU 110 2HD1 LEU 110 5.494 8.664 -6.808 905 3HD1 LEU 110 3HD1 LEU 110 5.947 10.340 -6.499 906 1HD2 LEU 110 1HD2 LEU 110 2.902 9.917 -6.673 907 2HD2 LEU 110 2HD2 LEU 110 3.469 8.376 -7.319 908 3HD2 LEU 110 3HD2 LEU 110 2.480 9.441 -8.318 909 H LYS 111 H LYS 111 4.795 14.660 -7.748 910 HA LYS 111 HA LYS 111 4.324 16.634 -8.946 911 1HB LYS 111 2HB LYS 111 6.368 15.437 -10.850 912 2HB LYS 111 1HB LYS 111 5.934 17.140 -10.723 913 1HG LYS 111 2HG LYS 111 6.621 16.223 -8.106 914 2HG LYS 111 1HG LYS 111 7.889 15.695 -9.212 915 1HD LYS 111 2HD LYS 111 8.644 17.805 -9.516 916 2HD LYS 111 1HD LYS 111 7.014 18.439 -9.737 917 1HE LYS 111 2HE LYS 111 7.755 19.486 -7.735 918 2HE LYS 111 1HE LYS 111 6.784 18.120 -7.150 919 1HZ LYS 111 1HZ LYS 111 9.723 18.032 -7.618 920 2HZ LYS 111 2HZ LYS 111 8.765 16.783 -6.975 921 3HZ LYS 111 3HZ LYS 111 8.997 18.218 -6.097 Start of MODEL 8 1 1H MET 1 1H MET 1 18.165 4.660 -15.888 2 2H MET 1 2H MET 1 18.347 4.743 -14.201 3 3H MET 1 3H MET 1 16.820 4.979 -14.905 4 HA MET 1 HA MET 1 16.925 2.641 -15.758 5 1HB MET 1 2HB MET 1 19.543 2.921 -15.313 6 2HB MET 1 1HB MET 1 19.112 2.240 -13.746 7 1HG MET 1 2HG MET 1 18.098 0.299 -14.821 8 2HG MET 1 1HG MET 1 18.390 0.995 -16.415 9 1HE MET 1 1HE MET 1 20.065 -0.700 -17.609 10 2HE MET 1 2HE MET 1 19.130 -1.569 -16.396 11 3HE MET 1 3HE MET 1 20.860 -1.868 -16.545 12 H ASN 2 H ASN 2 18.005 3.414 -12.409 13 HA ASN 2 HA ASN 2 15.296 2.899 -11.369 14 1HB ASN 2 2HB ASN 2 16.042 1.016 -9.957 15 2HB ASN 2 1HB ASN 2 16.292 0.648 -11.662 16 1HD2 ASN 2 1HD2 ASN 2 18.542 0.668 -12.471 17 2HD2 ASN 2 2HD2 ASN 2 19.850 0.581 -11.393 18 H GLU 3 H GLU 3 14.976 4.162 -9.568 19 HA GLU 3 HA GLU 3 17.198 4.857 -7.761 20 1HB GLU 3 2HB GLU 3 16.927 7.305 -8.229 21 2HB GLU 3 1HB GLU 3 17.526 6.411 -9.623 22 1HG GLU 3 2HG GLU 3 14.648 6.389 -9.669 23 2HG GLU 3 1HG GLU 3 15.206 8.050 -9.477 24 H VAL 4 H VAL 4 14.849 3.467 -7.159 25 HA VAL 4 HA VAL 4 13.280 5.482 -5.579 26 HB VAL 4 HB VAL 4 12.429 2.989 -7.080 27 1HG1 VAL 4 1HG1 VAL 4 11.297 3.121 -4.870 28 2HG1 VAL 4 2HG1 VAL 4 10.174 3.383 -6.202 29 3HG1 VAL 4 3HG1 VAL 4 10.762 4.754 -5.262 30 1HG2 VAL 4 1HG2 VAL 4 12.651 5.049 -8.423 31 2HG2 VAL 4 2HG2 VAL 4 11.606 5.905 -7.289 32 3HG2 VAL 4 3HG2 VAL 4 10.956 4.588 -8.265 33 H SER 5 H SER 5 13.662 5.155 -3.431 34 HA SER 5 HA SER 5 14.394 2.406 -2.482 35 1HB SER 5 2HB SER 5 15.362 3.707 -0.568 36 2HB SER 5 1HB SER 5 16.052 4.167 -2.122 37 HG SER 5 HG SER 5 15.460 6.003 -0.924 38 H VAL 6 H VAL 6 13.719 2.345 0.080 39 HA VAL 6 HA VAL 6 10.770 2.554 0.078 40 HB VAL 6 HB VAL 6 12.875 1.369 1.904 41 1HG1 VAL 6 1HG1 VAL 6 9.895 1.661 2.347 42 2HG1 VAL 6 2HG1 VAL 6 11.203 2.119 3.438 43 3HG1 VAL 6 3HG1 VAL 6 10.851 0.415 3.150 44 1HG2 VAL 6 1HG2 VAL 6 11.495 -0.712 1.303 45 2HG2 VAL 6 2HG2 VAL 6 12.442 -0.001 -0.003 46 3HG2 VAL 6 3HG2 VAL 6 10.705 0.294 0.088 47 H ILE 7 H ILE 7 9.659 4.166 1.111 48 HA ILE 7 HA ILE 7 11.233 6.165 2.678 49 HB ILE 7 HB ILE 7 8.871 6.168 0.855 50 1HG1 ILE 7 2HG1 ILE 7 9.922 8.233 0.077 51 2HG1 ILE 7 1HG1 ILE 7 11.028 8.221 1.450 52 1HG2 ILE 7 1HG2 ILE 7 7.697 7.091 2.689 53 2HG2 ILE 7 2HG2 ILE 7 8.300 8.502 1.820 54 3HG2 ILE 7 3HG2 ILE 7 9.121 7.949 3.280 55 1HD1 ILE 7 1HD1 ILE 7 10.889 5.956 -0.553 56 2HD1 ILE 7 2HD1 ILE 7 12.141 6.257 0.652 57 3HD1 ILE 7 3HD1 ILE 7 11.982 7.328 -0.740 58 H LYS 8 H LYS 8 8.263 4.166 2.826 59 HA LYS 8 HA LYS 8 8.305 4.525 5.801 60 1HB LYS 8 2HB LYS 8 6.158 5.172 3.809 61 2HB LYS 8 1HB LYS 8 5.669 4.558 5.388 62 1HG LYS 8 2HG LYS 8 7.656 6.479 5.927 63 2HG LYS 8 1HG LYS 8 6.640 7.198 4.680 64 1HD LYS 8 2HD LYS 8 5.433 7.810 6.556 65 2HD LYS 8 1HD LYS 8 4.683 6.250 6.219 66 1HE LYS 8 2HE LYS 8 5.204 5.847 8.427 67 2HE LYS 8 1HE LYS 8 6.800 5.457 7.759 68 1HZ LYS 8 1HZ LYS 8 6.993 7.121 9.504 69 2HZ LYS 8 2HZ LYS 8 5.907 8.142 8.688 70 3HZ LYS 8 3HZ LYS 8 7.426 7.792 8.006 71 H GLU 9 H GLU 9 7.882 2.613 6.892 72 HA GLU 9 HA GLU 9 6.801 0.307 5.306 73 1HB GLU 9 2HB GLU 9 8.471 -1.088 6.577 74 2HB GLU 9 1HB GLU 9 9.211 0.082 5.486 75 1HG GLU 9 2HG GLU 9 10.133 1.275 7.191 76 2HG GLU 9 1HG GLU 9 8.706 1.103 8.213 77 H GLY 10 H GLY 10 5.328 -0.988 6.421 78 1HA GLY 10 2HA GLY 10 5.062 -0.961 9.304 79 2HA GLY 10 1HA GLY 10 3.822 0.029 8.541 80 H TRP 11 H TRP 11 2.881 -2.081 9.914 81 HA TRP 11 HA TRP 11 2.518 -4.371 8.041 82 1HB TRP 11 2HB TRP 11 2.057 -3.795 10.959 83 2HB TRP 11 1HB TRP 11 1.217 -5.148 10.202 84 HD1 TRP 11 HD TRP 11 4.733 -3.888 11.039 85 HE1 TRP 11 1HE TRP 11 6.369 -5.876 10.933 86 HE3 TRP 11 3HE TRP 11 1.623 -7.493 9.190 87 HZ2 TRP 11 2HZ TRP 11 6.360 -8.629 10.169 88 HZ3 TRP 11 3HZ TRP 11 2.466 -9.788 8.781 89 HH2 TRP 11 HH TRP 11 4.830 -10.359 9.267 90 H LEU 12 H LEU 12 0.535 -4.795 7.051 91 HA LEU 12 HA LEU 12 -1.782 -3.011 7.745 92 1HB LEU 12 2HB LEU 12 -0.809 -3.836 4.986 93 2HB LEU 12 1HB LEU 12 -2.214 -2.828 5.317 94 HG LEU 12 HG LEU 12 0.637 -2.128 6.089 95 1HD1 LEU 12 1HD1 LEU 12 -0.932 -0.583 4.075 96 2HD1 LEU 12 2HD1 LEU 12 -0.259 -2.128 3.561 97 3HD1 LEU 12 3HD1 LEU 12 0.806 -0.862 4.171 98 1HD2 LEU 12 1HD2 LEU 12 -1.985 -1.070 6.812 99 2HD2 LEU 12 2HD2 LEU 12 -0.979 0.156 6.042 100 3HD2 LEU 12 3HD2 LEU 12 -0.402 -0.682 7.483 101 H HIS 13 H HIS 13 -3.886 -3.965 7.078 102 HA HIS 13 HA HIS 13 -3.831 -6.952 7.233 103 1HB HIS 13 2HB HIS 13 -5.491 -4.754 8.268 104 2HB HIS 13 1HB HIS 13 -6.437 -6.085 7.603 105 HD1 HIS 13 1HD HIS 13 -6.856 -7.943 9.214 106 HD2 HIS 13 2HD HIS 13 -3.361 -5.866 10.144 107 HE1 HIS 13 1HE HIS 13 -5.934 -8.997 11.325 108 H LYS 14 H LYS 14 -4.413 -8.103 5.433 109 HA LYS 14 HA LYS 14 -5.953 -6.690 3.273 110 1HB LYS 14 2HB LYS 14 -3.504 -7.153 2.847 111 2HB LYS 14 1HB LYS 14 -3.868 -8.874 2.973 112 1HG LYS 14 2HG LYS 14 -5.752 -7.611 1.186 113 2HG LYS 14 1HG LYS 14 -4.104 -7.236 0.681 114 1HD LYS 14 2HD LYS 14 -3.525 -9.622 0.728 115 2HD LYS 14 1HD LYS 14 -5.156 -10.017 1.272 116 1HE LYS 14 2HE LYS 14 -5.673 -8.504 -0.973 117 2HE LYS 14 1HE LYS 14 -4.199 -9.375 -1.442 118 1HZ LYS 14 1HZ LYS 14 -5.239 -11.425 -0.576 119 2HZ LYS 14 2HZ LYS 14 -6.095 -10.765 -1.887 120 3HZ LYS 14 3HZ LYS 14 -6.678 -10.565 -0.302 121 H ARG 15 H ARG 15 -7.779 -7.759 2.569 122 HA ARG 15 HA ARG 15 -8.662 -10.166 3.987 123 1HB ARG 15 2HB ARG 15 -9.939 -8.038 3.088 124 2HB ARG 15 1HB ARG 15 -10.024 -8.968 1.593 125 1HG ARG 15 2HG ARG 15 -10.704 -10.634 3.866 126 2HG ARG 15 1HG ARG 15 -11.725 -9.197 3.823 127 1HD ARG 15 2HD ARG 15 -12.962 -10.342 2.282 128 2HD ARG 15 1HD ARG 15 -11.640 -9.978 1.154 129 HE ARG 15 HE ARG 15 -11.023 -12.283 2.806 130 1HH1 ARG 15 1HH2 ARG 15 -12.779 -11.201 0.002 131 2HH1 ARG 15 2HH2 ARG 15 -12.759 -12.756 -0.754 132 1HH2 ARG 15 1HH1 ARG 15 -11.018 -14.305 1.815 133 2HH2 ARG 15 2HH1 ARG 15 -11.774 -14.508 0.272 134 H GLY 16 H GLY 16 -8.611 -12.262 3.205 135 1HA GLY 16 2HA GLY 16 -8.485 -12.883 0.373 136 2HA GLY 16 1HA GLY 16 -6.922 -13.117 1.157 137 H GLU 17 H GLU 17 -7.033 -15.402 0.821 138 HA GLU 17 HA GLU 17 -7.463 -17.614 1.508 139 1HB GLU 17 2HB GLU 17 -7.459 -16.016 3.729 140 2HB GLU 17 1HB GLU 17 -9.067 -16.734 3.842 141 1HG GLU 17 2HG GLU 17 -7.427 -18.877 3.137 142 2HG GLU 17 1HG GLU 17 -6.456 -17.964 4.292 143 H TYR 18 H TYR 18 -9.565 -18.954 2.457 144 HA TYR 18 HA TYR 18 -11.778 -18.260 0.577 145 1HB TYR 18 2HB TYR 18 -12.402 -20.668 0.963 146 2HB TYR 18 1HB TYR 18 -10.783 -20.460 0.305 147 HD1 TYR 18 1HD TYR 18 -12.639 -20.936 3.523 148 HD2 TYR 18 2HD TYR 18 -8.907 -21.339 1.432 149 HE1 TYR 18 1HE TYR 18 -11.691 -22.174 5.450 150 HE2 TYR 18 2HE TYR 18 -7.960 -22.576 3.360 151 HH TYR 18 HH TYR 18 -8.783 -22.506 6.164 152 H ILE 19 H ILE 19 -11.041 -18.051 3.905 153 HA ILE 19 HA ILE 19 -13.818 -18.460 4.829 154 HB ILE 19 HB ILE 19 -11.636 -19.155 6.000 155 1HG1 ILE 19 2HG1 ILE 19 -12.645 -18.050 8.256 156 2HG1 ILE 19 1HG1 ILE 19 -14.010 -17.800 7.167 157 1HG2 ILE 19 1HG2 ILE 19 -10.152 -17.589 6.637 158 2HG2 ILE 19 2HG2 ILE 19 -11.411 -16.639 7.424 159 3HG2 ILE 19 3HG2 ILE 19 -11.080 -16.413 5.707 160 1HD1 ILE 19 1HD1 ILE 19 -13.683 -20.281 6.509 161 2HD1 ILE 19 2HD1 ILE 19 -14.407 -19.942 8.081 162 3HD1 ILE 19 3HD1 ILE 19 -12.706 -20.397 7.971 163 H LYS 20 H LYS 20 -12.275 -15.931 3.295 164 HA LYS 20 HA LYS 20 -12.763 -13.639 3.087 165 1HB LYS 20 2HB LYS 20 -15.080 -14.930 3.227 166 2HB LYS 20 1HB LYS 20 -15.213 -14.078 4.765 167 1HG LYS 20 2HG LYS 20 -15.111 -11.949 3.726 168 2HG LYS 20 1HG LYS 20 -14.494 -12.624 2.217 169 1HD LYS 20 2HD LYS 20 -16.589 -12.880 1.445 170 2HD LYS 20 1HD LYS 20 -16.993 -13.894 2.830 171 1HE LYS 20 2HE LYS 20 -17.261 -11.671 4.142 172 2HE LYS 20 1HE LYS 20 -17.315 -10.901 2.544 173 1HZ LYS 20 1HZ LYS 20 -19.051 -12.470 1.893 174 2HZ LYS 20 2HZ LYS 20 -19.535 -11.556 3.242 175 3HZ LYS 20 3HZ LYS 20 -19.025 -13.164 3.442 176 H THR 21 H THR 21 -10.857 -13.562 4.731 177 HA THR 21 HA THR 21 -11.746 -11.969 7.097 178 HB THR 21 HB THR 21 -9.787 -14.293 7.125 179 HG1 THR 21 1HG THR 21 -12.459 -13.958 7.965 180 1HG2 THR 21 1HG2 THR 21 -10.734 -12.397 9.287 181 2HG2 THR 21 2HG2 THR 21 -9.081 -12.631 8.719 182 3HG2 THR 21 3HG2 THR 21 -9.893 -13.911 9.619 183 H TRP 22 H TRP 22 -10.054 -10.532 7.881 184 HA TRP 22 HA TRP 22 -8.121 -9.750 5.770 185 1HB TRP 22 2HB TRP 22 -9.052 -8.500 8.376 186 2HB TRP 22 1HB TRP 22 -7.890 -7.745 7.289 187 HD1 TRP 22 HD TRP 22 -11.560 -8.852 7.442 188 HE1 TRP 22 1HE TRP 22 -12.887 -7.549 5.659 189 HE3 TRP 22 3HE TRP 22 -7.733 -6.422 5.089 190 HZ2 TRP 22 2HZ TRP 22 -12.398 -5.717 3.524 191 HZ3 TRP 22 3HZ TRP 22 -8.192 -4.907 3.182 192 HH2 TRP 22 HH TRP 22 -10.518 -4.552 2.399 193 H ARG 23 H ARG 23 -6.033 -10.467 5.904 194 HA ARG 23 HA ARG 23 -5.026 -11.463 8.539 195 1HB ARG 23 2HB ARG 23 -5.114 -12.544 5.972 196 2HB ARG 23 1HB ARG 23 -3.439 -12.022 6.144 197 1HG ARG 23 2HG ARG 23 -3.753 -14.348 6.941 198 2HG ARG 23 1HG ARG 23 -3.239 -13.279 8.246 199 1HD ARG 23 2HD ARG 23 -5.048 -14.008 9.415 200 2HD ARG 23 1HD ARG 23 -6.061 -13.140 8.247 201 HE ARG 23 HE ARG 23 -6.450 -15.184 7.092 202 1HH1 ARG 23 1HH2 ARG 23 -3.991 -15.532 9.536 203 2HH1 ARG 23 2HH2 ARG 23 -3.987 -17.258 9.451 204 1HH2 ARG 23 1HH1 ARG 23 -6.437 -17.438 6.999 205 2HH2 ARG 23 2HH1 ARG 23 -5.361 -18.333 8.021 206 HA PRO 24 HA PRO 24 -2.279 -8.007 8.697 207 1HB PRO 24 2HB PRO 24 -0.513 -8.991 10.543 208 2HB PRO 24 1HB PRO 24 -2.135 -8.409 10.967 209 1HG PRO 24 2HG PRO 24 -1.156 -11.195 10.615 210 2HG PRO 24 1HG PRO 24 -2.302 -10.541 11.794 211 1HD PRO 24 2HD PRO 24 -3.050 -11.931 9.568 212 2HD PRO 24 1HD PRO 24 -4.075 -10.716 10.364 213 H ARG 25 H ARG 25 -0.908 -7.627 7.019 214 HA ARG 25 HA ARG 25 1.337 -9.553 6.501 215 1HB ARG 25 2HB ARG 25 -0.760 -8.341 4.783 216 2HB ARG 25 1HB ARG 25 0.865 -8.321 4.100 217 1HG ARG 25 2HG ARG 25 0.039 -10.397 3.386 218 2HG ARG 25 1HG ARG 25 0.948 -10.822 4.837 219 1HD ARG 25 2HD ARG 25 -0.970 -11.242 6.082 220 2HD ARG 25 1HD ARG 25 -1.951 -10.102 5.141 221 HE ARG 25 HE ARG 25 -2.299 -11.788 3.505 222 1HH1 ARG 25 1HH2 ARG 25 0.201 -12.699 5.753 223 2HH1 ARG 25 2HH2 ARG 25 0.221 -14.351 5.242 224 1HH2 ARG 25 1HH1 ARG 25 -2.264 -13.943 2.851 225 2HH2 ARG 25 2HH1 ARG 25 -1.164 -15.053 3.596 226 H TYR 26 H TYR 26 3.366 -8.564 6.148 227 HA TYR 26 HA TYR 26 3.722 -5.843 7.131 228 1HB TYR 26 2HB TYR 26 5.303 -7.716 7.496 229 2HB TYR 26 1HB TYR 26 5.594 -7.800 5.761 230 HD1 TYR 26 1HD TYR 26 7.739 -7.031 5.302 231 HD2 TYR 26 2HD TYR 26 5.312 -4.902 8.137 232 HE1 TYR 26 1HE TYR 26 9.496 -5.295 5.503 233 HE2 TYR 26 2HE TYR 26 7.070 -3.165 8.334 234 HH TYR 26 HH TYR 26 9.897 -3.346 7.823 235 H PHE 27 H PHE 27 4.034 -3.967 5.904 236 HA PHE 27 HA PHE 27 4.066 -4.287 2.914 237 1HB PHE 27 2HB PHE 27 2.314 -2.816 4.787 238 2HB PHE 27 1HB PHE 27 2.818 -1.897 3.371 239 HD1 PHE 27 1HD PHE 27 2.166 -2.580 1.119 240 HD2 PHE 27 2HD PHE 27 0.969 -4.857 4.558 241 HE1 PHE 27 1HE PHE 27 0.500 -3.789 -0.262 242 HE2 PHE 27 2HE PHE 27 -0.695 -6.069 3.176 243 HZ PHE 27 HZ PHE 27 -0.930 -5.533 0.766 244 H LEU 28 H LEU 28 5.492 -2.979 1.802 245 HA LEU 28 HA LEU 28 7.113 -1.009 3.399 246 1HB LEU 28 2HB LEU 28 7.864 -2.930 1.170 247 2HB LEU 28 1HB LEU 28 8.941 -1.664 1.760 248 HG LEU 28 HG LEU 28 8.131 -2.879 4.102 249 1HD1 LEU 28 1HD1 LEU 28 8.791 -5.359 3.373 250 2HD1 LEU 28 2HD1 LEU 28 8.076 -4.842 1.846 251 3HD1 LEU 28 3HD1 LEU 28 7.117 -4.807 3.326 252 1HD2 LEU 28 1HD2 LEU 28 10.437 -2.182 3.350 253 2HD2 LEU 28 2HD2 LEU 28 10.532 -3.685 2.432 254 3HD2 LEU 28 3HD2 LEU 28 10.399 -3.733 4.189 255 H LEU 29 H LEU 29 6.860 1.061 2.639 256 HA LEU 29 HA LEU 29 5.644 1.482 -0.048 257 1HB LEU 29 2HB LEU 29 4.861 2.444 2.244 258 2HB LEU 29 1HB LEU 29 6.207 3.567 2.055 259 HG LEU 29 HG LEU 29 4.600 3.302 -0.383 260 1HD1 LEU 29 1HD1 LEU 29 3.315 4.450 2.114 261 2HD1 LEU 29 2HD1 LEU 29 2.802 2.983 1.281 262 3HD1 LEU 29 3HD1 LEU 29 2.657 4.547 0.480 263 1HD2 LEU 29 1HD2 LEU 29 5.391 5.646 1.381 264 2HD2 LEU 29 2HD2 LEU 29 4.707 5.774 -0.239 265 3HD2 LEU 29 3HD2 LEU 29 6.299 5.051 -0.009 266 H LYS 30 H LYS 30 6.842 2.269 -1.718 267 HA LYS 30 HA LYS 30 9.666 3.074 -1.198 268 1HB LYS 30 2HB LYS 30 8.111 2.295 -3.685 269 2HB LYS 30 1HB LYS 30 9.828 2.695 -3.675 270 1HG LYS 30 2HG LYS 30 9.072 0.700 -1.648 271 2HG LYS 30 1HG LYS 30 8.801 0.164 -3.306 272 1HD LYS 30 2HD LYS 30 11.392 1.516 -2.637 273 2HD LYS 30 1HD LYS 30 11.166 -0.167 -2.160 274 1HE LYS 30 2HE LYS 30 10.461 -0.631 -4.575 275 2HE LYS 30 1HE LYS 30 11.067 0.991 -4.961 276 1HZ LYS 30 1HZ LYS 30 12.824 -0.650 -5.212 277 2HZ LYS 30 2HZ LYS 30 12.608 -1.167 -3.608 278 3HZ LYS 30 3HZ LYS 30 13.184 0.401 -3.930 279 H SER 31 H SER 31 10.465 4.839 -2.799 280 HA SER 31 HA SER 31 8.872 7.260 -2.393 281 1HB SER 31 2HB SER 31 11.553 6.557 -2.758 282 2HB SER 31 1HB SER 31 11.141 7.446 -4.221 283 HG SER 31 HG SER 31 10.700 9.202 -3.044 284 H ASP 32 H ASP 32 8.614 4.850 -4.701 285 HA ASP 32 HA ASP 32 8.206 6.518 -7.083 286 1HB ASP 32 2HB ASP 32 9.086 4.316 -7.376 287 2HB ASP 32 1HB ASP 32 7.867 3.606 -6.323 288 H GLY 33 H GLY 33 6.342 5.783 -4.325 289 1HA GLY 33 2HA GLY 33 4.145 6.650 -3.921 290 2HA GLY 33 1HA GLY 33 3.887 6.759 -5.664 291 H SER 34 H SER 34 5.237 3.882 -4.183 292 HA SER 34 HA SER 34 2.624 2.463 -4.339 293 1HB SER 34 2HB SER 34 5.156 1.709 -5.841 294 2HB SER 34 1HB SER 34 3.678 0.752 -5.802 295 HG SER 34 HG SER 34 4.300 3.001 -7.244 296 H PHE 35 H PHE 35 2.566 0.630 -2.962 297 HA PHE 35 HA PHE 35 5.087 0.005 -1.483 298 1HB PHE 35 2HB PHE 35 3.576 -0.211 0.575 299 2HB PHE 35 1HB PHE 35 3.888 1.419 0.004 300 HD1 PHE 35 1HD PHE 35 2.123 2.581 -1.430 301 HD2 PHE 35 2HD PHE 35 1.373 -1.072 0.701 302 HE1 PHE 35 1HE PHE 35 -0.316 2.993 -1.580 303 HE2 PHE 35 2HE PHE 35 -1.065 -0.663 0.545 304 HZ PHE 35 HZ PHE 35 -1.912 1.371 -0.591 305 H ILE 36 H ILE 36 5.467 -2.146 -1.230 306 HA ILE 36 HA ILE 36 3.445 -4.049 -2.343 307 HB ILE 36 HB ILE 36 6.400 -4.385 -1.707 308 1HG1 ILE 36 2HG1 ILE 36 6.152 -2.639 -3.385 309 2HG1 ILE 36 1HG1 ILE 36 6.698 -4.110 -4.188 310 1HG2 ILE 36 1HG2 ILE 36 6.237 -6.308 -3.243 311 2HG2 ILE 36 2HG2 ILE 36 4.513 -5.999 -3.450 312 3HG2 ILE 36 3HG2 ILE 36 5.138 -6.497 -1.877 313 1HD1 ILE 36 1HD1 ILE 36 4.252 -4.607 -4.688 314 2HD1 ILE 36 2HD1 ILE 36 4.930 -3.220 -5.541 315 3HD1 ILE 36 3HD1 ILE 36 3.895 -2.971 -4.136 316 H GLY 37 H GLY 37 2.802 -5.875 -1.119 317 1HA GLY 37 2HA GLY 37 3.445 -5.735 1.795 318 2HA GLY 37 1HA GLY 37 1.921 -6.334 1.147 319 H TYR 38 H TYR 38 4.092 -7.567 2.856 320 HA TYR 38 HA TYR 38 4.613 -10.027 1.207 321 1HB TYR 38 2HB TYR 38 6.162 -8.439 3.226 322 2HB TYR 38 1HB TYR 38 6.414 -10.181 3.193 323 HD1 TYR 38 1HD TYR 38 6.614 -7.066 1.180 324 HD2 TYR 38 2HD TYR 38 7.605 -11.240 1.407 325 HE1 TYR 38 1HE TYR 38 8.142 -6.809 -0.755 326 HE2 TYR 38 2HE TYR 38 9.128 -10.985 -0.529 327 HH TYR 38 HH TYR 38 9.724 -9.594 -2.252 328 H LYS 39 H LYS 39 4.277 -12.064 2.358 329 HA LYS 39 HA LYS 39 2.067 -12.189 4.153 330 1HB LYS 39 2HB LYS 39 2.724 -14.541 4.372 331 2HB LYS 39 1HB LYS 39 2.963 -14.026 2.704 332 1HG LYS 39 2HG LYS 39 5.374 -13.642 3.191 333 2HG LYS 39 1HG LYS 39 5.117 -14.232 4.833 334 1HD LYS 39 2HD LYS 39 4.014 -16.271 3.417 335 2HD LYS 39 1HD LYS 39 5.255 -15.739 2.283 336 1HE LYS 39 2HE LYS 39 6.886 -16.685 3.542 337 2HE LYS 39 1HE LYS 39 6.318 -15.838 4.994 338 1HZ LYS 39 1HZ LYS 39 6.034 -18.207 5.278 339 2HZ LYS 39 2HZ LYS 39 5.147 -18.316 3.833 340 3HZ LYS 39 3HZ LYS 39 4.511 -17.470 5.164 341 H GLU 40 H GLU 40 5.518 -11.823 4.735 342 HA GLU 40 HA GLU 40 4.977 -11.314 7.625 343 1HB GLU 40 2HB GLU 40 5.871 -13.716 6.842 344 2HB GLU 40 1HB GLU 40 7.414 -12.862 6.813 345 1HG GLU 40 2HG GLU 40 7.538 -12.824 9.070 346 2HG GLU 40 1HG GLU 40 5.877 -12.248 9.219 347 H ARG 41 H ARG 41 7.720 -10.862 8.289 348 HA ARG 41 HA ARG 41 8.375 -8.564 6.475 349 1HB ARG 41 2HB ARG 41 9.369 -7.580 8.600 350 2HB ARG 41 1HB ARG 41 7.619 -7.792 8.630 351 1HG ARG 41 2HG ARG 41 7.801 -9.793 9.950 352 2HG ARG 41 1HG ARG 41 9.549 -9.852 9.728 353 1HD ARG 41 2HD ARG 41 9.833 -7.817 11.049 354 2HD ARG 41 1HD ARG 41 8.072 -7.637 11.194 355 HE ARG 41 HE ARG 41 8.819 -10.272 12.040 356 1HH1 ARG 41 1HH2 ARG 41 8.992 -6.939 13.018 357 2HH1 ARG 41 2HH2 ARG 41 9.039 -7.313 14.706 358 1HH2 ARG 41 1HH1 ARG 41 8.882 -10.749 14.240 359 2HH2 ARG 41 2HH1 ARG 41 8.977 -9.465 15.398 360 HA PRO 42 HA PRO 42 11.993 -11.579 6.746 361 1HB PRO 42 2HB PRO 42 12.029 -12.413 4.143 362 2HB PRO 42 1HB PRO 42 11.097 -13.239 5.407 363 1HG PRO 42 2HG PRO 42 10.175 -11.355 3.304 364 2HG PRO 42 1HG PRO 42 9.373 -12.785 3.972 365 1HD PRO 42 2HD PRO 42 8.752 -10.202 4.663 366 2HD PRO 42 1HD PRO 42 8.453 -11.618 5.693 367 H GLU 43 H GLU 43 14.107 -11.116 5.815 368 HA GLU 43 HA GLU 43 14.211 -8.687 4.060 369 1HB GLU 43 2HB GLU 43 16.193 -8.011 5.517 370 2HB GLU 43 1HB GLU 43 14.619 -7.943 6.306 371 1HG GLU 43 2HG GLU 43 15.061 -10.232 7.252 372 2HG GLU 43 1HG GLU 43 16.688 -10.144 6.576 373 H ALA 44 H ALA 44 15.974 -11.566 5.262 374 HA ALA 44 HA ALA 44 17.523 -12.967 4.170 375 1HB ALA 44 1HB ALA 44 17.097 -11.465 1.613 376 2HB ALA 44 2HB ALA 44 15.717 -12.310 2.314 377 3HB ALA 44 3HB ALA 44 17.175 -13.205 1.886 378 HA PRO 45 HA PRO 45 21.332 -10.772 4.002 379 1HB PRO 45 2HB PRO 45 22.774 -12.107 2.084 380 2HB PRO 45 1HB PRO 45 22.461 -12.770 3.700 381 1HG PRO 45 2HG PRO 45 21.079 -13.344 1.121 382 2HG PRO 45 1HG PRO 45 21.551 -14.454 2.419 383 1HD PRO 45 2HD PRO 45 19.011 -13.573 2.111 384 2HD PRO 45 1HD PRO 45 19.705 -13.953 3.703 385 H ASP 46 H ASP 46 20.142 -11.527 0.705 386 HA ASP 46 HA ASP 46 21.078 -8.838 -0.207 387 1HB ASP 46 2HB ASP 46 20.303 -11.401 -1.648 388 2HB ASP 46 1HB ASP 46 20.740 -9.907 -2.477 389 H GLN 47 H GLN 47 18.525 -10.623 -1.840 390 HA GLN 47 HA GLN 47 16.243 -9.481 -0.542 391 1HB GLN 47 2HB GLN 47 17.712 -7.557 -1.793 392 2HB GLN 47 1HB GLN 47 16.636 -8.033 -3.107 393 1HG GLN 47 2HG GLN 47 15.303 -6.448 -2.077 394 2HG GLN 47 1HG GLN 47 14.798 -7.882 -1.186 395 1HE2 GLN 47 1HE2 GLN 47 15.579 -8.133 1.040 396 2HE2 GLN 47 2HE2 GLN 47 16.292 -6.837 1.871 397 H THR 48 H THR 48 15.977 -11.867 -1.142 398 HA THR 48 HA THR 48 14.847 -12.117 -3.910 399 HB THR 48 HB THR 48 17.031 -13.279 -3.434 400 HG1 THR 48 1HG THR 48 16.195 -14.446 -4.949 401 1HG2 THR 48 1HG2 THR 48 17.314 -14.676 -1.677 402 2HG2 THR 48 2HG2 THR 48 15.740 -15.434 -1.917 403 3HG2 THR 48 3HG2 THR 48 15.862 -13.919 -1.024 404 H LEU 49 H LEU 49 13.107 -11.233 -2.116 405 HA LEU 49 HA LEU 49 11.607 -13.620 -1.092 406 1HB LEU 49 2HB LEU 49 11.578 -10.692 -0.284 407 2HB LEU 49 1HB LEU 49 10.583 -11.946 0.454 408 HG LEU 49 HG LEU 49 13.589 -12.203 0.322 409 1HD1 LEU 49 1HD1 LEU 49 13.686 -11.267 2.588 410 2HD1 LEU 49 2HD1 LEU 49 11.950 -10.960 2.552 411 3HD1 LEU 49 3HD1 LEU 49 13.024 -10.076 1.469 412 1HD2 LEU 49 1HD2 LEU 49 12.285 -14.225 0.836 413 2HD2 LEU 49 2HD2 LEU 49 11.442 -13.368 2.126 414 3HD2 LEU 49 3HD2 LEU 49 13.170 -13.693 2.265 415 HA PRO 50 HA PRO 50 8.690 -12.543 -4.281 416 1HB PRO 50 2HB PRO 50 6.772 -14.377 -3.617 417 2HB PRO 50 1HB PRO 50 8.267 -14.807 -4.471 418 1HG PRO 50 2HG PRO 50 7.552 -15.160 -1.612 419 2HG PRO 50 1HG PRO 50 8.519 -16.196 -2.673 420 1HD PRO 50 2HD PRO 50 9.561 -14.479 -0.790 421 2HD PRO 50 1HD PRO 50 10.443 -15.074 -2.213 422 HA PRO 51 HA PRO 51 6.173 -9.829 -1.754 423 1HB PRO 51 2HB PRO 51 5.001 -8.477 -3.824 424 2HB PRO 51 1HB PRO 51 6.660 -8.159 -3.277 425 1HG PRO 51 2HG PRO 51 5.707 -9.723 -5.617 426 2HG PRO 51 1HG PRO 51 7.114 -8.660 -5.465 427 1HD PRO 51 2HD PRO 51 7.248 -11.393 -5.381 428 2HD PRO 51 1HD PRO 51 8.433 -10.316 -4.610 429 H LEU 52 H LEU 52 4.018 -9.965 -1.054 430 HA LEU 52 HA LEU 52 2.308 -11.998 -2.414 431 1HB LEU 52 2HB LEU 52 2.711 -10.914 0.331 432 2HB LEU 52 1HB LEU 52 1.067 -11.402 -0.074 433 HG LEU 52 HG LEU 52 2.284 -13.285 0.919 434 1HD1 LEU 52 1HD1 LEU 52 0.753 -13.401 -1.303 435 2HD1 LEU 52 2HD1 LEU 52 1.448 -14.834 -0.545 436 3HD1 LEU 52 3HD1 LEU 52 2.243 -14.099 -1.938 437 1HD2 LEU 52 1HD2 LEU 52 4.537 -12.355 -0.010 438 2HD2 LEU 52 2HD2 LEU 52 4.142 -13.287 -1.454 439 3HD2 LEU 52 3HD2 LEU 52 4.330 -14.103 0.097 440 H ASN 53 H ASN 53 2.236 -8.622 -1.261 441 HA ASN 53 HA ASN 53 -0.326 -8.233 -2.789 442 1HB ASN 53 2HB ASN 53 0.674 -6.631 -0.420 443 2HB ASN 53 1HB ASN 53 -0.956 -6.667 -1.080 444 1HD2 ASN 53 1HD2 ASN 53 -1.518 -9.381 -1.284 445 2HD2 ASN 53 2HD2 ASN 53 -1.414 -10.120 0.239 446 H ASN 54 H ASN 54 -0.394 -6.479 -4.215 447 HA ASN 54 HA ASN 54 2.080 -4.777 -4.403 448 1HB ASN 54 2HB ASN 54 1.874 -6.475 -6.200 449 2HB ASN 54 1HB ASN 54 0.269 -5.860 -6.595 450 1HD2 ASN 54 1HD2 ASN 54 0.199 -4.214 -8.146 451 2HD2 ASN 54 2HD2 ASN 54 1.535 -3.286 -8.632 452 H PHE 55 H PHE 55 1.585 -2.636 -4.023 453 HA PHE 55 HA PHE 55 -1.163 -1.675 -4.758 454 1HB PHE 55 2HB PHE 55 0.008 -2.017 -2.205 455 2HB PHE 55 1HB PHE 55 -0.009 -0.280 -2.505 456 HD1 PHE 55 1HD PHE 55 -2.213 0.769 -3.346 457 HD2 PHE 55 2HD PHE 55 -1.968 -3.138 -1.576 458 HE1 PHE 55 1HE PHE 55 -4.643 0.832 -2.869 459 HE2 PHE 55 2HE PHE 55 -4.402 -3.075 -1.102 460 HZ PHE 55 HZ PHE 55 -5.740 -1.090 -1.748 461 H SER 56 H SER 56 -1.115 0.119 -6.050 462 HA SER 56 HA SER 56 1.356 1.825 -6.041 463 1HB SER 56 2HB SER 56 0.029 0.280 -8.153 464 2HB SER 56 1HB SER 56 0.274 1.966 -8.598 465 HG SER 56 HG SER 56 2.486 1.687 -7.965 466 H VAL 57 H VAL 57 0.860 3.936 -5.585 467 HA VAL 57 HA VAL 57 -1.927 4.889 -6.161 468 HB VAL 57 HB VAL 57 -1.214 4.505 -3.743 469 1HG1 VAL 57 1HG1 VAL 57 0.120 6.632 -2.918 470 2HG1 VAL 57 2HG1 VAL 57 0.750 6.617 -4.563 471 3HG1 VAL 57 3HG1 VAL 57 0.984 5.217 -3.518 472 1HG2 VAL 57 1HG2 VAL 57 -3.027 6.114 -4.569 473 2HG2 VAL 57 2HG2 VAL 57 -1.843 7.401 -4.340 474 3HG2 VAL 57 3HG2 VAL 57 -2.372 6.435 -2.963 475 H ALA 58 H ALA 58 0.845 5.081 -7.654 476 HA ALA 58 HA ALA 58 1.541 7.903 -7.675 477 1HB ALA 58 1HB ALA 58 1.995 5.670 -9.690 478 2HB ALA 58 2HB ALA 58 3.056 6.051 -8.334 479 3HB ALA 58 3HB ALA 58 2.863 7.205 -9.654 480 H GLU 59 H GLU 59 -0.087 5.850 -10.132 481 HA GLU 59 HA GLU 59 -1.299 8.278 -11.356 482 1HB GLU 59 2HB GLU 59 -0.940 5.375 -12.118 483 2HB GLU 59 1HB GLU 59 -2.029 6.422 -13.028 484 1HG GLU 59 2HG GLU 59 -0.282 7.282 -14.151 485 2HG GLU 59 1HG GLU 59 0.430 7.832 -12.634 486 H CYS 60 H CYS 60 -2.145 5.386 -9.516 487 HA CYS 60 HA CYS 60 -5.040 5.709 -9.899 488 1HB CYS 60 2HB CYS 60 -3.426 3.618 -9.377 489 2HB CYS 60 1HB CYS 60 -3.852 4.048 -7.720 490 H GLN 61 H GLN 61 -6.498 6.478 -8.309 491 HA GLN 61 HA GLN 61 -5.301 8.278 -6.269 492 1HB GLN 61 2HB GLN 61 -7.511 9.292 -6.260 493 2HB GLN 61 1HB GLN 61 -7.038 9.021 -7.935 494 1HG GLN 61 2HG GLN 61 -8.299 6.644 -7.260 495 2HG GLN 61 1HG GLN 61 -9.259 7.856 -6.413 496 1HE2 GLN 61 1HE2 GLN 61 -9.122 6.258 -9.316 497 2HE2 GLN 61 2HE2 GLN 61 -9.841 7.425 -10.317 498 H LEU 62 H LEU 62 -5.537 7.944 -4.067 499 HA LEU 62 HA LEU 62 -6.866 5.397 -3.218 500 1HB LEU 62 2HB LEU 62 -4.335 6.485 -2.781 501 2HB LEU 62 1HB LEU 62 -5.188 6.808 -1.273 502 HG LEU 62 HG LEU 62 -5.278 4.085 -2.575 503 1HD1 LEU 62 1HD1 LEU 62 -2.941 4.401 -2.271 504 2HD1 LEU 62 2HD1 LEU 62 -3.469 3.523 -0.836 505 3HD1 LEU 62 3HD1 LEU 62 -3.175 5.260 -0.749 506 1HD2 LEU 62 1HD2 LEU 62 -6.922 4.348 -0.870 507 2HD2 LEU 62 2HD2 LEU 62 -5.804 5.217 0.180 508 3HD2 LEU 62 3HD2 LEU 62 -5.593 3.488 -0.094 509 H MET 63 H MET 63 -8.569 5.488 -1.780 510 HA MET 63 HA MET 63 -9.333 8.182 -0.690 511 1HB MET 63 2HB MET 63 -10.823 7.552 -2.464 512 2HB MET 63 1HB MET 63 -10.942 5.899 -1.865 513 1HG MET 63 2HG MET 63 -12.961 6.966 -1.182 514 2HG MET 63 1HG MET 63 -11.958 6.894 0.265 515 1HE MET 63 1HE MET 63 -13.541 8.813 1.342 516 2HE MET 63 2HE MET 63 -14.446 8.635 -0.159 517 3HE MET 63 3HE MET 63 -14.017 10.243 0.417 518 H LYS 64 H LYS 64 -9.709 8.244 1.503 519 HA LYS 64 HA LYS 64 -9.243 5.823 3.115 520 1HB LYS 64 2HB LYS 64 -9.281 7.418 4.961 521 2HB LYS 64 1HB LYS 64 -8.361 8.126 3.634 522 1HG LYS 64 2HG LYS 64 -10.951 8.936 3.079 523 2HG LYS 64 1HG LYS 64 -10.885 9.018 4.839 524 1HD LYS 64 2HD LYS 64 -8.464 10.080 3.592 525 2HD LYS 64 1HD LYS 64 -9.912 10.943 3.077 526 1HE LYS 64 2HE LYS 64 -9.588 10.327 6.000 527 2HE LYS 64 1HE LYS 64 -8.667 11.673 5.303 528 1HZ LYS 64 1HZ LYS 64 -10.643 12.649 4.463 529 2HZ LYS 64 2HZ LYS 64 -10.954 12.271 6.091 530 3HZ LYS 64 3HZ LYS 64 -11.580 11.289 4.853 531 H THR 65 H THR 65 -10.854 4.822 4.449 532 HA THR 65 HA THR 65 -13.628 5.869 4.338 533 HB THR 65 HB THR 65 -13.315 4.593 2.263 534 HG1 THR 65 1HG THR 65 -15.149 3.555 2.491 535 1HG2 THR 65 1HG2 THR 65 -11.613 3.061 2.563 536 2HG2 THR 65 2HG2 THR 65 -13.011 1.998 2.730 537 3HG2 THR 65 3HG2 THR 65 -12.175 2.588 4.167 538 H GLU 66 H GLU 66 -15.125 4.268 5.547 539 HA GLU 66 HA GLU 66 -13.687 3.141 7.929 540 1HB GLU 66 2HB GLU 66 -15.101 5.257 8.147 541 2HB GLU 66 1HB GLU 66 -16.502 4.253 7.774 542 1HG GLU 66 2HG GLU 66 -16.598 3.833 9.990 543 2HG GLU 66 1HG GLU 66 -15.204 2.788 9.726 544 H ARG 67 H ARG 67 -14.935 2.025 5.210 545 HA ARG 67 HA ARG 67 -16.339 -0.289 6.495 546 1HB ARG 67 2HB ARG 67 -17.576 1.620 5.052 547 2HB ARG 67 1HB ARG 67 -17.025 0.600 3.724 548 1HG ARG 67 2HG ARG 67 -19.229 -0.154 4.359 549 2HG ARG 67 1HG ARG 67 -18.074 -1.367 4.906 550 1HD ARG 67 2HD ARG 67 -18.457 -0.921 7.131 551 2HD ARG 67 1HD ARG 67 -18.705 0.812 6.845 552 HE ARG 67 HE ARG 67 -20.766 -1.271 6.674 553 1HH1 ARG 67 1HH2 ARG 67 -19.752 1.912 5.690 554 2HH1 ARG 67 2HH2 ARG 67 -21.362 2.457 5.379 555 1HH2 ARG 67 1HH1 ARG 67 -22.861 -0.546 6.262 556 2HH2 ARG 67 2HH1 ARG 67 -23.118 1.072 5.700 557 HA PRO 68 HA PRO 68 -17.000 -2.240 5.919 558 1HB PRO 68 2HB PRO 68 -15.866 -4.585 6.759 559 2HB PRO 68 1HB PRO 68 -16.651 -4.393 5.179 560 1HG PRO 68 2HG PRO 68 -13.759 -4.370 5.870 561 2HG PRO 68 1HG PRO 68 -14.579 -5.073 4.469 562 1HD PRO 68 2HD PRO 68 -13.235 -2.707 4.384 563 2HD PRO 68 1HD PRO 68 -14.607 -3.092 3.324 564 H ARG 69 H ARG 69 -13.595 -2.086 6.944 565 HA ARG 69 HA ARG 69 -14.489 -1.819 9.792 566 1HB ARG 69 2HB ARG 69 -11.776 -2.390 8.550 567 2HB ARG 69 1HB ARG 69 -12.118 -2.364 10.279 568 1HG ARG 69 2HG ARG 69 -14.052 -4.081 9.419 569 2HG ARG 69 1HG ARG 69 -12.770 -4.430 8.260 570 1HD ARG 69 2HD ARG 69 -12.216 -5.891 10.007 571 2HD ARG 69 1HD ARG 69 -11.248 -4.467 10.441 572 HE ARG 69 HE ARG 69 -13.767 -4.015 11.580 573 1HH1 ARG 69 1HH2 ARG 69 -11.276 -6.436 11.786 574 2HH1 ARG 69 2HH2 ARG 69 -11.650 -6.848 13.425 575 1HH2 ARG 69 1HH1 ARG 69 -14.244 -4.561 13.711 576 2HH2 ARG 69 2HH1 ARG 69 -13.324 -5.790 14.513 577 HA PRO 70 HA PRO 70 -13.401 2.436 9.872 578 1HB PRO 70 2HB PRO 70 -12.270 2.694 12.356 579 2HB PRO 70 1HB PRO 70 -14.014 2.484 12.099 580 1HG PRO 70 2HG PRO 70 -11.959 0.464 12.866 581 2HG PRO 70 1HG PRO 70 -13.611 0.678 13.470 582 1HD PRO 70 2HD PRO 70 -12.955 -1.222 11.659 583 2HD PRO 70 1HD PRO 70 -14.549 -0.436 11.689 584 H ASN 71 H ASN 71 -11.576 3.897 9.715 585 HA ASN 71 HA ASN 71 -9.387 4.469 9.058 586 1HB ASN 71 2HB ASN 71 -9.182 2.486 11.279 587 2HB ASN 71 1HB ASN 71 -7.699 2.834 10.392 588 1HD2 ASN 71 1HD2 ASN 71 -10.386 4.509 12.115 589 2HD2 ASN 71 2HD2 ASN 71 -9.448 5.844 12.581 590 H THR 72 H THR 72 -10.445 3.215 7.024 591 HA THR 72 HA THR 72 -8.561 1.007 6.240 592 HB THR 72 HB THR 72 -11.493 1.547 5.724 593 HG1 THR 72 1HG THR 72 -11.618 0.077 7.182 594 1HG2 THR 72 1HG2 THR 72 -11.364 -0.540 4.263 595 2HG2 THR 72 2HG2 THR 72 -9.618 -0.295 4.229 596 3HG2 THR 72 3HG2 THR 72 -10.693 0.931 3.558 597 H PHE 73 H PHE 73 -7.937 0.999 3.967 598 HA PHE 73 HA PHE 73 -8.199 3.669 2.613 599 1HB PHE 73 2HB PHE 73 -5.926 1.854 3.240 600 2HB PHE 73 1HB PHE 73 -5.885 2.620 1.653 601 HD1 PHE 73 1HD PHE 73 -7.029 5.243 2.044 602 HD2 PHE 73 2HD PHE 73 -4.481 2.991 4.668 603 HE1 PHE 73 1HE PHE 73 -6.238 7.350 3.086 604 HE2 PHE 73 2HE PHE 73 -3.691 5.095 5.709 605 HZ PHE 73 HZ PHE 73 -4.566 7.274 4.919 606 H VAL 74 H VAL 74 -8.999 3.577 0.531 607 HA VAL 74 HA VAL 74 -9.044 0.908 -0.850 608 HB VAL 74 HB VAL 74 -11.213 3.004 -0.516 609 1HG1 VAL 74 1HG1 VAL 74 -10.987 0.653 -2.389 610 2HG1 VAL 74 2HG1 VAL 74 -11.534 2.293 -2.735 611 3HG1 VAL 74 3HG1 VAL 74 -12.565 1.197 -1.816 612 1HG2 VAL 74 1HG2 VAL 74 -11.239 1.621 1.385 613 2HG2 VAL 74 2HG2 VAL 74 -10.761 0.192 0.470 614 3HG2 VAL 74 3HG2 VAL 74 -12.399 0.828 0.318 615 H ILE 75 H ILE 75 -8.121 1.029 -2.860 616 HA ILE 75 HA ILE 75 -7.856 3.726 -4.147 617 HB ILE 75 HB ILE 75 -5.806 2.391 -3.467 618 1HG1 ILE 75 2HG1 ILE 75 -5.611 2.507 -6.414 619 2HG1 ILE 75 1HG1 ILE 75 -6.224 3.974 -5.655 620 1HG2 ILE 75 1HG2 ILE 75 -6.677 0.145 -4.018 621 2HG2 ILE 75 2HG2 ILE 75 -5.177 0.473 -4.882 622 3HG2 ILE 75 3HG2 ILE 75 -6.721 0.581 -5.726 623 1HD1 ILE 75 1HD1 ILE 75 -4.277 4.193 -4.284 624 2HD1 ILE 75 2HD1 ILE 75 -3.688 3.839 -5.908 625 3HD1 ILE 75 3HD1 ILE 75 -3.727 2.567 -4.688 626 H ARG 76 H ARG 76 -8.878 4.041 -6.125 627 HA ARG 76 HA ARG 76 -9.999 1.617 -7.505 628 1HB ARG 76 2HB ARG 76 -11.264 4.237 -6.697 629 2HB ARG 76 1HB ARG 76 -11.966 3.237 -7.968 630 1HG ARG 76 2HG ARG 76 -11.337 1.531 -5.761 631 2HG ARG 76 1HG ARG 76 -12.220 2.924 -5.136 632 1HD ARG 76 2HD ARG 76 -14.030 2.553 -6.746 633 2HD ARG 76 1HD ARG 76 -13.126 1.212 -7.479 634 HE ARG 76 HE ARG 76 -13.545 0.977 -4.574 635 1HH1 ARG 76 1HH2 ARG 76 -14.705 0.239 -7.772 636 2HH1 ARG 76 2HH2 ARG 76 -15.596 -1.149 -7.254 637 1HH2 ARG 76 1HH1 ARG 76 -14.699 -0.841 -3.915 638 2HH2 ARG 76 2HH1 ARG 76 -15.593 -1.761 -5.078 639 H CYS 77 H CYS 77 -9.667 1.578 -9.696 640 HA CYS 77 HA CYS 77 -8.880 4.114 -11.090 641 1HB CYS 77 2HB CYS 77 -7.387 1.613 -10.613 642 2HB CYS 77 1HB CYS 77 -7.377 2.142 -12.295 643 H LEU 78 H LEU 78 -9.379 4.097 -13.383 644 HA LEU 78 HA LEU 78 -11.397 2.014 -14.163 645 1HB LEU 78 2HB LEU 78 -11.044 4.959 -14.772 646 2HB LEU 78 1HB LEU 78 -12.133 3.940 -15.715 647 HG LEU 78 HG LEU 78 -12.682 3.365 -13.000 648 1HD1 LEU 78 1HD1 LEU 78 -12.405 6.331 -13.565 649 2HD1 LEU 78 2HD1 LEU 78 -11.588 5.408 -12.305 650 3HD1 LEU 78 3HD1 LEU 78 -13.329 5.672 -12.215 651 1HD2 LEU 78 1HD2 LEU 78 -14.861 4.482 -13.578 652 2HD2 LEU 78 2HD2 LEU 78 -14.332 3.308 -14.783 653 3HD2 LEU 78 3HD2 LEU 78 -14.126 5.035 -15.083 654 H GLN 79 H GLN 79 -9.008 1.022 -14.673 655 HA GLN 79 HA GLN 79 -8.672 1.316 -17.613 656 1HB GLN 79 2HB GLN 79 -6.759 2.133 -15.469 657 2HB GLN 79 1HB GLN 79 -6.077 1.349 -16.893 658 1HG GLN 79 2HG GLN 79 -7.662 3.054 -18.174 659 2HG GLN 79 1HG GLN 79 -7.509 3.969 -16.675 660 1HE2 GLN 79 1HE2 GLN 79 -5.314 2.122 -18.889 661 2HE2 GLN 79 2HE2 GLN 79 -4.067 3.271 -18.833 662 H TRP 80 H TRP 80 -7.270 -0.280 -14.707 663 HA TRP 80 HA TRP 80 -6.885 -2.771 -16.298 664 1HB TRP 80 2HB TRP 80 -5.807 -1.557 -13.778 665 2HB TRP 80 1HB TRP 80 -5.768 -3.313 -13.931 666 HD1 TRP 80 HD TRP 80 -4.189 -4.367 -15.759 667 HE1 TRP 80 1HE TRP 80 -2.242 -3.404 -17.152 668 HE3 TRP 80 3HE TRP 80 -4.934 0.625 -14.982 669 HZ2 TRP 80 2HZ TRP 80 -1.149 -0.854 -17.844 670 HZ3 TRP 80 3HZ TRP 80 -3.428 2.297 -16.019 671 HH2 TRP 80 HH TRP 80 -1.538 1.565 -17.448 672 H THR 81 H THR 81 -8.788 -3.952 -16.323 673 HA THR 81 HA THR 81 -10.509 -4.069 -13.909 674 HB THR 81 HB THR 81 -11.901 -5.471 -15.575 675 HG1 THR 81 1HG THR 81 -10.571 -6.074 -17.132 676 1HG2 THR 81 1HG2 THR 81 -12.396 -3.375 -16.982 677 2HG2 THR 81 2HG2 THR 81 -11.131 -2.591 -16.037 678 3HG2 THR 81 3HG2 THR 81 -12.567 -3.224 -15.233 679 H THR 82 H THR 82 -8.515 -5.219 -12.848 680 HA THR 82 HA THR 82 -8.788 -8.178 -13.288 681 HB THR 82 HB THR 82 -6.195 -7.113 -12.313 682 HG1 THR 82 1HG THR 82 -7.026 -6.733 -14.999 683 1HG2 THR 82 1HG2 THR 82 -7.174 -9.213 -14.233 684 2HG2 THR 82 2HG2 THR 82 -6.228 -9.417 -12.759 685 3HG2 THR 82 3HG2 THR 82 -5.474 -8.742 -14.203 686 H VAL 83 H VAL 83 -7.820 -9.361 -11.271 687 HA VAL 83 HA VAL 83 -9.051 -8.158 -8.856 688 HB VAL 83 HB VAL 83 -9.454 -10.515 -9.745 689 1HG1 VAL 83 1HG1 VAL 83 -6.990 -11.450 -8.385 690 2HG1 VAL 83 2HG1 VAL 83 -6.745 -10.665 -9.945 691 3HG1 VAL 83 3HG1 VAL 83 -7.792 -12.079 -9.824 692 1HG2 VAL 83 1HG2 VAL 83 -8.525 -9.958 -6.929 693 2HG2 VAL 83 2HG2 VAL 83 -9.132 -11.548 -7.388 694 3HG2 VAL 83 3HG2 VAL 83 -10.173 -10.133 -7.531 695 H ILE 84 H ILE 84 -6.595 -6.914 -9.741 696 HA ILE 84 HA ILE 84 -4.419 -7.946 -8.035 697 HB ILE 84 HB ILE 84 -4.657 -5.421 -9.715 698 1HG1 ILE 84 2HG1 ILE 84 -5.026 -7.447 -11.075 699 2HG1 ILE 84 1HG1 ILE 84 -3.467 -6.720 -11.458 700 1HG2 ILE 84 1HG2 ILE 84 -2.292 -6.903 -8.532 701 2HG2 ILE 84 2HG2 ILE 84 -2.813 -5.260 -8.163 702 3HG2 ILE 84 3HG2 ILE 84 -2.142 -5.636 -9.749 703 1HD1 ILE 84 1HD1 ILE 84 -3.828 -9.005 -9.497 704 2HD1 ILE 84 2HD1 ILE 84 -2.303 -8.352 -10.095 705 3HD1 ILE 84 3HD1 ILE 84 -3.380 -9.220 -11.188 706 H GLU 85 H GLU 85 -5.822 -7.663 -6.046 707 HA GLU 85 HA GLU 85 -6.349 -6.528 -4.056 708 1HB GLU 85 2HB GLU 85 -4.098 -4.867 -5.218 709 2HB GLU 85 1HB GLU 85 -4.752 -4.590 -3.605 710 1HG GLU 85 2HG GLU 85 -4.352 -7.316 -3.596 711 2HG GLU 85 1HG GLU 85 -2.995 -6.748 -4.568 712 H ARG 86 H ARG 86 -6.930 -4.188 -3.213 713 HA ARG 86 HA ARG 86 -7.905 -2.183 -5.035 714 1HB ARG 86 2HB ARG 86 -9.401 -4.157 -5.568 715 2HB ARG 86 1HB ARG 86 -9.995 -4.081 -3.910 716 1HG ARG 86 2HG ARG 86 -11.577 -2.810 -5.111 717 2HG ARG 86 1HG ARG 86 -10.504 -1.587 -4.433 718 1HD ARG 86 2HD ARG 86 -10.878 -1.073 -6.798 719 2HD ARG 86 1HD ARG 86 -9.208 -1.635 -6.603 720 HE ARG 86 HE ARG 86 -11.348 -3.598 -7.297 721 1HH1 ARG 86 1HH2 ARG 86 -8.379 -1.932 -8.078 722 2HH1 ARG 86 2HH2 ARG 86 -7.971 -3.029 -9.350 723 1HH2 ARG 86 1HH1 ARG 86 -10.782 -5.013 -8.945 724 2HH2 ARG 86 2HH1 ARG 86 -9.316 -4.770 -9.832 725 H THR 87 H THR 87 -8.949 -3.829 -2.026 726 HA THR 87 HA THR 87 -8.915 -1.167 -0.634 727 HB THR 87 HB THR 87 -10.622 -2.373 0.858 728 HG1 THR 87 1HG THR 87 -10.532 -4.451 0.418 729 1HG2 THR 87 1HG2 THR 87 -11.913 -2.428 -1.760 730 2HG2 THR 87 2HG2 THR 87 -10.911 -0.994 -1.537 731 3HG2 THR 87 3HG2 THR 87 -12.200 -1.355 -0.389 732 H PHE 88 H PHE 88 -7.729 -1.049 1.286 733 HA PHE 88 HA PHE 88 -6.666 -3.588 2.429 734 1HB PHE 88 2HB PHE 88 -4.519 -3.114 1.852 735 2HB PHE 88 1HB PHE 88 -5.231 -2.010 0.684 736 HD1 PHE 88 1HD PHE 88 -4.571 0.226 0.713 737 HD2 PHE 88 2HD PHE 88 -4.180 -2.116 4.294 738 HE1 PHE 88 1HE PHE 88 -3.425 2.120 1.831 739 HE2 PHE 88 2HE PHE 88 -3.044 -0.220 5.409 740 HZ PHE 88 HZ PHE 88 -2.660 1.897 4.180 741 H HIS 89 H HIS 89 -6.474 -3.548 4.641 742 HA HIS 89 HA HIS 89 -7.439 -1.092 6.056 743 1HB HIS 89 2HB HIS 89 -7.331 -4.054 6.698 744 2HB HIS 89 1HB HIS 89 -7.785 -2.843 7.894 745 HD1 HIS 89 1HD HIS 89 -10.207 -3.895 7.950 746 HD2 HIS 89 2HD HIS 89 -9.125 -2.247 4.280 747 HE1 HIS 89 1HE HIS 89 -12.336 -3.677 6.606 748 H VAL 90 H VAL 90 -6.299 -0.468 8.047 749 HA VAL 90 HA VAL 90 -3.398 -1.217 7.985 750 HB VAL 90 HB VAL 90 -3.138 0.881 9.315 751 1HG1 VAL 90 1HG1 VAL 90 -2.935 1.085 6.930 752 2HG1 VAL 90 2HG1 VAL 90 -3.922 2.438 7.477 753 3HG1 VAL 90 3HG1 VAL 90 -4.685 1.042 6.717 754 1HG2 VAL 90 1HG2 VAL 90 -4.897 2.000 10.210 755 2HG2 VAL 90 2HG2 VAL 90 -5.805 0.515 9.941 756 3HG2 VAL 90 3HG2 VAL 90 -5.870 1.816 8.753 757 H ASP 91 H ASP 91 -2.337 -1.639 10.079 758 HA ASP 91 HA ASP 91 -3.913 -3.360 11.813 759 1HB ASP 91 2HB ASP 91 -1.792 -3.762 12.872 760 2HB ASP 91 1HB ASP 91 -1.455 -3.550 11.155 761 H SER 92 H SER 92 -2.850 0.011 11.979 762 HA SER 92 HA SER 92 -4.366 0.298 14.547 763 1HB SER 92 2HB SER 92 -1.590 1.264 13.812 764 2HB SER 92 1HB SER 92 -2.480 1.888 15.198 765 HG SER 92 HG SER 92 -1.338 -0.619 14.754 766 HA PRO 93 HA PRO 93 -6.145 3.814 12.558 767 1HB PRO 93 2HB PRO 93 -6.579 5.457 14.717 768 2HB PRO 93 1HB PRO 93 -7.578 4.030 14.367 769 1HG PRO 93 2HG PRO 93 -5.326 4.336 16.301 770 2HG PRO 93 1HG PRO 93 -6.872 3.491 16.495 771 1HD PRO 93 2HD PRO 93 -4.564 2.185 15.970 772 2HD PRO 93 1HD PRO 93 -6.140 1.612 15.379 773 H ASP 94 H ASP 94 -3.540 4.366 14.913 774 HA ASP 94 HA ASP 94 -2.742 6.981 14.010 775 1HB ASP 94 2HB ASP 94 -1.614 4.710 15.613 776 2HB ASP 94 1HB ASP 94 -0.497 5.959 15.067 777 H GLU 95 H GLU 95 -1.851 3.664 13.056 778 HA GLU 95 HA GLU 95 0.297 4.300 11.272 779 1HB GLU 95 2HB GLU 95 -1.307 2.048 12.092 780 2HB GLU 95 1HB GLU 95 -1.160 2.037 10.336 781 1HG GLU 95 2HG GLU 95 0.828 1.005 10.749 782 2HG GLU 95 1HG GLU 95 1.400 2.646 11.048 783 H ARG 96 H ARG 96 -3.222 3.929 10.707 784 HA ARG 96 HA ARG 96 -3.275 4.276 7.898 785 1HB ARG 96 2HB ARG 96 -5.107 3.697 9.626 786 2HB ARG 96 1HB ARG 96 -5.293 5.439 9.817 787 1HG ARG 96 2HG ARG 96 -5.326 5.255 7.110 788 2HG ARG 96 1HG ARG 96 -6.037 3.698 7.534 789 1HD ARG 96 2HD ARG 96 -8.000 4.809 7.805 790 2HD ARG 96 1HD ARG 96 -7.282 5.534 9.254 791 HE ARG 96 HE ARG 96 -6.750 6.752 6.586 792 1HH1 ARG 96 1HH2 ARG 96 -8.052 6.963 9.818 793 2HH1 ARG 96 2HH2 ARG 96 -8.276 8.675 9.731 794 1HH2 ARG 96 1HH1 ARG 96 -7.052 8.970 6.503 795 2HH2 ARG 96 2HH1 ARG 96 -7.710 9.808 7.869 796 H GLU 97 H GLU 97 -3.363 6.768 10.473 797 HA GLU 97 HA GLU 97 -3.570 9.043 8.729 798 1HB GLU 97 2HB GLU 97 -3.805 8.707 11.339 799 2HB GLU 97 1HB GLU 97 -2.082 9.084 11.345 800 1HG GLU 97 2HG GLU 97 -2.455 11.215 10.305 801 2HG GLU 97 1HG GLU 97 -4.138 10.821 9.960 802 H GLU 98 H GLU 98 -0.759 7.266 10.033 803 HA GLU 98 HA GLU 98 1.267 9.044 9.006 804 1HB GLU 98 2HB GLU 98 1.025 6.398 10.263 805 2HB GLU 98 1HB GLU 98 2.375 6.500 9.132 806 1HG GLU 98 2HG GLU 98 2.092 8.860 10.865 807 2HG GLU 98 1HG GLU 98 2.450 7.370 11.737 808 H TRP 99 H TRP 99 -0.346 6.160 7.683 809 HA TRP 99 HA TRP 99 1.217 5.805 5.322 810 1HB TRP 99 2HB TRP 99 -1.698 5.320 5.996 811 2HB TRP 99 1HB TRP 99 -0.984 4.798 4.473 812 HD1 TRP 99 HD TRP 99 -1.893 3.296 7.493 813 HE1 TRP 99 1HE TRP 99 -0.363 1.354 8.194 814 HE3 TRP 99 3HE TRP 99 2.132 4.234 4.498 815 HZ2 TRP 99 2HZ TRP 99 2.225 0.321 7.559 816 HZ3 TRP 99 3HZ TRP 99 4.118 2.752 4.567 817 HH2 TRP 99 HH TRP 99 4.167 0.799 6.093 818 H MET 100 H MET 100 -1.739 7.757 5.853 819 HA MET 100 HA MET 100 -2.022 8.811 3.221 820 1HB MET 100 2HB MET 100 -3.523 8.899 5.358 821 2HB MET 100 1HB MET 100 -2.611 10.357 5.747 822 1HG MET 100 2HG MET 100 -3.465 10.375 2.969 823 2HG MET 100 1HG MET 100 -4.842 10.185 4.054 824 1HE MET 100 1HE MET 100 -5.598 12.576 2.939 825 2HE MET 100 2HE MET 100 -4.079 12.539 2.047 826 3HE MET 100 3HE MET 100 -4.535 13.990 2.936 827 H ARG 101 H ARG 101 -0.263 10.122 6.048 828 HA ARG 101 HA ARG 101 0.722 12.517 4.853 829 1HB ARG 101 2HB ARG 101 1.118 10.873 7.216 830 2HB ARG 101 1HB ARG 101 2.662 11.510 6.647 831 1HG ARG 101 2HG ARG 101 1.910 13.235 8.024 832 2HG ARG 101 1HG ARG 101 1.360 13.767 6.436 833 1HD ARG 101 2HD ARG 101 -0.884 13.221 6.886 834 2HD ARG 101 1HD ARG 101 -0.445 12.070 8.162 835 HE ARG 101 HE ARG 101 -0.209 13.879 9.676 836 1HH1 ARG 101 1HH2 ARG 101 -0.453 15.000 6.389 837 2HH1 ARG 101 2HH2 ARG 101 -0.584 16.663 6.839 838 1HH2 ARG 101 1HH1 ARG 101 -0.380 16.054 10.249 839 2HH2 ARG 101 2HH1 ARG 101 -0.543 17.260 9.018 840 H ALA 102 H ALA 102 2.124 9.236 4.985 841 HA ALA 102 HA ALA 102 4.594 9.798 3.657 842 1HB ALA 102 1HB ALA 102 4.736 7.413 3.493 843 2HB ALA 102 2HB ALA 102 2.981 7.243 3.474 844 3HB ALA 102 3HB ALA 102 3.803 7.730 4.956 845 H ILE 103 H ILE 103 1.398 8.839 2.362 846 HA ILE 103 HA ILE 103 2.167 8.562 -0.387 847 HB ILE 103 HB ILE 103 -0.440 9.370 0.954 848 1HG1 ILE 103 2HG1 ILE 103 0.200 6.697 -0.279 849 2HG1 ILE 103 1HG1 ILE 103 0.743 7.063 1.359 850 1HG2 ILE 103 1HG2 ILE 103 0.248 8.737 -1.911 851 2HG2 ILE 103 2HG2 ILE 103 -0.768 10.031 -1.277 852 3HG2 ILE 103 3HG2 ILE 103 -1.357 8.370 -1.280 853 1HD1 ILE 103 1HD1 ILE 103 -1.769 7.859 1.659 854 2HD1 ILE 103 2HD1 ILE 103 -1.343 6.155 1.814 855 3HD1 ILE 103 3HD1 ILE 103 -2.045 6.755 0.311 856 H GLN 104 H GLN 104 1.071 11.382 1.507 857 HA GLN 104 HA GLN 104 0.955 13.247 -0.688 858 1HB GLN 104 2HB GLN 104 0.631 13.181 2.177 859 2HB GLN 104 1HB GLN 104 1.628 14.567 1.745 860 1HG GLN 104 2HG GLN 104 -1.096 13.895 0.593 861 2HG GLN 104 1HG GLN 104 -0.733 15.210 1.708 862 1HE2 GLN 104 1HE2 GLN 104 1.531 16.399 0.640 863 2HE2 GLN 104 2HE2 GLN 104 1.233 16.937 -0.943 864 H MET 105 H MET 105 3.550 12.366 1.613 865 HA MET 105 HA MET 105 5.472 14.328 0.798 866 1HB MET 105 2HB MET 105 5.545 11.587 2.062 867 2HB MET 105 1HB MET 105 7.049 12.428 1.684 868 1HG MET 105 2HG MET 105 6.449 14.294 3.087 869 2HG MET 105 1HG MET 105 4.813 13.670 3.308 870 1HE MET 105 1HE MET 105 4.464 13.459 5.569 871 2HE MET 105 2HE MET 105 5.929 14.348 5.977 872 3HE MET 105 3HE MET 105 5.560 12.841 6.812 873 H VAL 106 H VAL 106 4.805 11.026 -0.389 874 HA VAL 106 HA VAL 106 6.925 11.057 -2.386 875 HB VAL 106 HB VAL 106 4.402 9.385 -2.063 876 1HG1 VAL 106 1HG1 VAL 106 6.603 9.379 -4.047 877 2HG1 VAL 106 2HG1 VAL 106 4.966 8.737 -4.178 878 3HG1 VAL 106 3HG1 VAL 106 6.215 7.805 -3.353 879 1HG2 VAL 106 1HG2 VAL 106 5.508 8.413 -0.353 880 2HG2 VAL 106 2HG2 VAL 106 6.883 9.488 -0.604 881 3HG2 VAL 106 3HG2 VAL 106 6.792 7.955 -1.472 882 H ALA 107 H ALA 107 3.461 11.855 -2.332 883 HA ALA 107 HA ALA 107 2.965 12.137 -5.117 884 1HB ALA 107 1HB ALA 107 1.162 13.689 -4.288 885 2HB ALA 107 2HB ALA 107 1.897 13.609 -2.687 886 3HB ALA 107 3HB ALA 107 1.221 12.154 -3.420 887 H ASN 108 H ASN 108 4.492 14.369 -2.799 888 HA ASN 108 HA ASN 108 4.486 16.762 -4.329 889 1HB ASN 108 2HB ASN 108 6.124 15.514 -2.166 890 2HB ASN 108 1HB ASN 108 6.825 16.907 -2.989 891 1HD2 ASN 108 1HD2 ASN 108 4.242 15.877 -0.822 892 2HD2 ASN 108 2HD2 ASN 108 3.665 17.436 -0.479 893 H SER 109 H SER 109 6.860 14.081 -4.308 894 HA SER 109 HA SER 109 8.351 15.284 -6.568 895 1HB SER 109 2HB SER 109 8.648 12.825 -4.825 896 2HB SER 109 1HB SER 109 9.727 13.157 -6.177 897 HG SER 109 HG SER 109 10.335 15.066 -5.182 898 H LEU 110 H LEU 110 5.951 12.798 -5.965 899 HA LEU 110 HA LEU 110 6.254 11.192 -8.316 900 1HB LEU 110 2HB LEU 110 4.923 10.767 -6.200 901 2HB LEU 110 1HB LEU 110 3.724 11.910 -6.800 902 HG LEU 110 HG LEU 110 4.348 10.011 -8.876 903 1HD1 LEU 110 1HD1 LEU 110 3.082 8.607 -6.568 904 2HD1 LEU 110 2HD1 LEU 110 4.837 8.774 -6.548 905 3HD1 LEU 110 3HD1 LEU 110 4.045 7.952 -7.891 906 1HD2 LEU 110 1HD2 LEU 110 2.232 11.484 -8.183 907 2HD2 LEU 110 2HD2 LEU 110 1.774 10.000 -7.348 908 3HD2 LEU 110 3HD2 LEU 110 2.043 9.984 -9.091 909 H LYS 111 H LYS 111 4.192 14.055 -7.672 910 HA LYS 111 HA LYS 111 3.134 15.568 -9.135 911 1HB LYS 111 2HB LYS 111 5.234 14.493 -11.051 912 2HB LYS 111 1HB LYS 111 4.405 16.045 -11.173 913 1HG LYS 111 2HG LYS 111 5.420 16.108 -8.601 914 2HG LYS 111 1HG LYS 111 6.691 15.277 -9.497 915 1HD LYS 111 2HD LYS 111 7.275 17.150 -10.625 916 2HD LYS 111 1HD LYS 111 5.595 17.588 -10.936 917 1HE LYS 111 2HE LYS 111 5.614 19.093 -9.242 918 2HE LYS 111 1HE LYS 111 6.229 17.876 -8.107 919 1HZ LYS 111 1HZ LYS 111 8.442 18.188 -8.964 920 2HZ LYS 111 2HZ LYS 111 7.826 19.699 -8.492 921 3HZ LYS 111 3HZ LYS 111 7.889 19.281 -10.138 Start of MODEL 9 1 1H MET 1 1H MET 1 14.093 4.403 -12.024 2 2H MET 1 2H MET 1 13.822 2.920 -11.237 3 3H MET 1 3H MET 1 14.903 3.006 -12.546 4 HA MET 1 HA MET 1 16.462 4.302 -11.289 5 1HB MET 1 2HB MET 1 14.003 4.529 -9.604 6 2HB MET 1 1HB MET 1 15.556 4.577 -8.770 7 1HG MET 1 2HG MET 1 16.008 6.657 -9.529 8 2HG MET 1 1HG MET 1 15.555 6.232 -11.179 9 1HE MET 1 1HE MET 1 14.645 7.254 -7.753 10 2HE MET 1 2HE MET 1 13.274 6.149 -7.782 11 3HE MET 1 3HE MET 1 12.994 7.887 -7.794 12 H ASN 2 H ASN 2 18.045 3.135 -10.135 13 HA ASN 2 HA ASN 2 17.228 0.405 -9.189 14 1HB ASN 2 2HB ASN 2 19.715 1.549 -10.475 15 2HB ASN 2 1HB ASN 2 19.737 -0.017 -9.665 16 1HD2 ASN 2 1HD2 ASN 2 18.882 -1.810 -10.810 17 2HD2 ASN 2 2HD2 ASN 2 18.124 -1.686 -12.323 18 H GLU 3 H GLU 3 17.180 2.903 -7.582 19 HA GLU 3 HA GLU 3 18.789 1.938 -5.297 20 1HB GLU 3 2HB GLU 3 19.860 4.192 -5.054 21 2HB GLU 3 1HB GLU 3 20.342 3.374 -6.538 22 1HG GLU 3 2HG GLU 3 19.072 4.789 -7.892 23 2HG GLU 3 1HG GLU 3 17.970 5.221 -6.584 24 H VAL 4 H VAL 4 15.985 1.996 -5.655 25 HA VAL 4 HA VAL 4 14.842 4.406 -4.446 26 HB VAL 4 HB VAL 4 13.792 1.637 -5.112 27 1HG1 VAL 4 1HG1 VAL 4 11.532 2.699 -4.831 28 2HG1 VAL 4 2HG1 VAL 4 12.329 4.105 -4.126 29 3HG1 VAL 4 3HG1 VAL 4 12.424 2.541 -3.318 30 1HG2 VAL 4 1HG2 VAL 4 14.372 2.924 -7.082 31 2HG2 VAL 4 2HG2 VAL 4 13.568 4.357 -6.440 32 3HG2 VAL 4 3HG2 VAL 4 12.615 2.952 -6.921 33 H SER 5 H SER 5 14.198 4.664 -2.306 34 HA SER 5 HA SER 5 15.076 2.556 -0.364 35 1HB SER 5 2HB SER 5 15.148 4.562 1.190 36 2HB SER 5 1HB SER 5 16.271 4.652 -0.163 37 HG SER 5 HG SER 5 15.096 6.594 0.089 38 H VAL 6 H VAL 6 13.688 3.021 1.836 39 HA VAL 6 HA VAL 6 10.811 2.854 1.006 40 HB VAL 6 HB VAL 6 12.355 1.775 3.390 41 1HG1 VAL 6 1HG1 VAL 6 9.408 1.606 2.686 42 2HG1 VAL 6 2HG1 VAL 6 10.113 2.340 4.126 43 3HG1 VAL 6 3HG1 VAL 6 10.190 0.593 3.901 44 1HG2 VAL 6 1HG2 VAL 6 11.611 -0.421 2.346 45 2HG2 VAL 6 2HG2 VAL 6 12.794 0.485 1.403 46 3HG2 VAL 6 3HG2 VAL 6 11.093 0.512 0.941 47 H ILE 7 H ILE 7 9.408 4.387 1.788 48 HA ILE 7 HA ILE 7 10.494 6.492 3.595 49 HB ILE 7 HB ILE 7 8.302 6.209 1.566 50 1HG1 ILE 7 2HG1 ILE 7 9.222 8.436 0.886 51 2HG1 ILE 7 1HG1 ILE 7 10.368 8.336 2.222 52 1HG2 ILE 7 1HG2 ILE 7 8.241 8.032 3.963 53 2HG2 ILE 7 2HG2 ILE 7 6.922 7.115 3.233 54 3HG2 ILE 7 3HG2 ILE 7 7.542 8.558 2.431 55 1HD1 ILE 7 1HD1 ILE 7 11.512 6.509 1.257 56 2HD1 ILE 7 2HD1 ILE 7 11.171 7.562 -0.114 57 3HD1 ILE 7 3HD1 ILE 7 10.176 6.135 0.169 58 H LYS 8 H LYS 8 7.862 4.098 3.391 59 HA LYS 8 HA LYS 8 7.473 4.388 6.338 60 1HB LYS 8 2HB LYS 8 5.857 5.694 4.655 61 2HB LYS 8 1HB LYS 8 5.081 4.113 4.558 62 1HG LYS 8 2HG LYS 8 3.965 5.171 6.351 63 2HG LYS 8 1HG LYS 8 5.153 4.141 7.147 64 1HD LYS 8 2HD LYS 8 6.405 6.646 6.544 65 2HD LYS 8 1HD LYS 8 4.870 6.974 7.348 66 1HE LYS 8 2HE LYS 8 5.571 6.065 9.337 67 2HE LYS 8 1HE LYS 8 6.495 4.780 8.534 68 1HZ LYS 8 1HZ LYS 8 8.098 6.491 7.813 69 2HZ LYS 8 2HZ LYS 8 8.020 6.347 9.505 70 3HZ LYS 8 3HZ LYS 8 7.255 7.650 8.725 71 H GLU 9 H GLU 9 7.075 2.418 7.329 72 HA GLU 9 HA GLU 9 6.353 0.070 5.626 73 1HB GLU 9 2HB GLU 9 8.188 -1.198 6.816 74 2HB GLU 9 1HB GLU 9 8.773 0.069 5.742 75 1HG GLU 9 2HG GLU 9 9.745 1.177 7.451 76 2HG GLU 9 1HG GLU 9 8.275 1.103 8.420 77 H GLY 10 H GLY 10 4.792 -1.157 6.633 78 1HA GLY 10 2HA GLY 10 4.700 -1.461 9.531 79 2HA GLY 10 1HA GLY 10 3.434 -0.395 8.931 80 H TRP 11 H TRP 11 2.621 -2.669 10.182 81 HA TRP 11 HA TRP 11 2.115 -4.781 8.160 82 1HB TRP 11 2HB TRP 11 1.659 -4.392 11.115 83 2HB TRP 11 1HB TRP 11 0.866 -5.714 10.261 84 HD1 TRP 11 HD TRP 11 4.313 -4.429 11.273 85 HE1 TRP 11 1HE TRP 11 6.020 -6.341 11.020 86 HE3 TRP 11 3HE TRP 11 1.378 -7.943 9.008 87 HZ2 TRP 11 2HZ TRP 11 6.130 -9.010 9.997 88 HZ3 TRP 11 3HZ TRP 11 2.309 -10.158 8.404 89 HH2 TRP 11 HH TRP 11 4.681 -10.696 8.895 90 H LEU 12 H LEU 12 0.163 -5.024 7.110 91 HA LEU 12 HA LEU 12 -2.112 -3.242 7.947 92 1HB LEU 12 2HB LEU 12 -1.239 -4.015 5.140 93 2HB LEU 12 1HB LEU 12 -2.545 -2.907 5.552 94 HG LEU 12 HG LEU 12 0.389 -2.497 6.218 95 1HD1 LEU 12 1HD1 LEU 12 -0.513 -2.253 3.772 96 2HD1 LEU 12 2HD1 LEU 12 0.482 -0.965 4.450 97 3HD1 LEU 12 3HD1 LEU 12 -1.269 -0.783 4.385 98 1HD2 LEU 12 1HD2 LEU 12 -1.409 -0.195 6.385 99 2HD2 LEU 12 2HD2 LEU 12 -0.237 -0.786 7.563 100 3HD2 LEU 12 3HD2 LEU 12 -1.859 -1.472 7.514 101 H HIS 13 H HIS 13 -4.241 -4.124 7.550 102 HA HIS 13 HA HIS 13 -4.290 -7.110 7.382 103 1HB HIS 13 2HB HIS 13 -5.764 -4.976 8.787 104 2HB HIS 13 1HB HIS 13 -6.801 -6.241 8.127 105 HD1 HIS 13 1HD HIS 13 -6.811 -8.477 9.315 106 HD2 HIS 13 2HD HIS 13 -3.708 -6.007 10.607 107 HE1 HIS 13 1HE HIS 13 -5.743 -9.643 11.295 108 H LYS 14 H LYS 14 -4.959 -7.988 5.463 109 HA LYS 14 HA LYS 14 -6.764 -6.352 3.704 110 1HB LYS 14 2HB LYS 14 -4.145 -7.425 3.296 111 2HB LYS 14 1HB LYS 14 -5.254 -8.308 2.247 112 1HG LYS 14 2HG LYS 14 -5.999 -5.564 2.120 113 2HG LYS 14 1HG LYS 14 -4.247 -5.634 1.934 114 1HD LYS 14 2HD LYS 14 -4.668 -6.133 -0.235 115 2HD LYS 14 1HD LYS 14 -5.091 -7.739 0.358 116 1HE LYS 14 2HE LYS 14 -7.088 -7.278 -0.704 117 2HE LYS 14 1HE LYS 14 -7.442 -6.426 0.811 118 1HZ LYS 14 1HZ LYS 14 -6.025 -5.166 -1.479 119 2HZ LYS 14 2HZ LYS 14 -6.640 -4.396 -0.091 120 3HZ LYS 14 3HZ LYS 14 -7.702 -5.044 -1.247 121 H ARG 15 H ARG 15 -8.537 -7.431 2.820 122 HA ARG 15 HA ARG 15 -9.400 -9.919 4.062 123 1HB ARG 15 2HB ARG 15 -10.604 -7.746 2.940 124 2HB ARG 15 1HB ARG 15 -10.737 -8.902 1.613 125 1HG ARG 15 2HG ARG 15 -11.469 -10.503 3.661 126 2HG ARG 15 1HG ARG 15 -12.005 -8.952 4.305 127 1HD ARG 15 2HD ARG 15 -13.891 -9.663 3.087 128 2HD ARG 15 1HD ARG 15 -13.056 -8.641 1.900 129 HE ARG 15 HE ARG 15 -11.933 -11.212 1.640 130 1HH1 ARG 15 1HH2 ARG 15 -15.051 -9.701 1.310 131 2HH1 ARG 15 2HH2 ARG 15 -15.587 -10.805 0.091 132 1HH2 ARG 15 1HH1 ARG 15 -12.642 -12.643 0.061 133 2HH2 ARG 15 2HH1 ARG 15 -14.224 -12.463 -0.624 134 H GLY 16 H GLY 16 -9.417 -11.991 3.146 135 1HA GLY 16 2HA GLY 16 -7.565 -12.510 0.969 136 2HA GLY 16 1HA GLY 16 -8.525 -13.719 1.816 137 H GLU 17 H GLU 17 -8.362 -14.115 -0.803 138 HA GLU 17 HA GLU 17 -10.390 -12.755 -2.391 139 1HB GLU 17 2HB GLU 17 -8.266 -13.886 -3.183 140 2HB GLU 17 1HB GLU 17 -9.033 -15.434 -2.826 141 1HG GLU 17 2HG GLU 17 -9.712 -15.286 -5.004 142 2HG GLU 17 1HG GLU 17 -10.985 -14.279 -4.315 143 H TYR 18 H TYR 18 -10.176 -16.044 -0.970 144 HA TYR 18 HA TYR 18 -13.178 -16.165 -1.030 145 1HB TYR 18 2HB TYR 18 -12.813 -18.632 -1.475 146 2HB TYR 18 1HB TYR 18 -12.256 -17.575 -2.771 147 HD1 TYR 18 1HD TYR 18 -9.928 -17.408 -3.338 148 HD2 TYR 18 2HD TYR 18 -11.159 -19.619 0.135 149 HE1 TYR 18 1HE TYR 18 -7.637 -18.325 -3.108 150 HE2 TYR 18 2HE TYR 18 -8.868 -20.536 0.362 151 HH TYR 18 HH TYR 18 -6.332 -19.401 -0.658 152 H ILE 19 H ILE 19 -10.797 -15.743 1.116 153 HA ILE 19 HA ILE 19 -11.511 -17.900 3.017 154 HB ILE 19 HB ILE 19 -9.166 -16.989 2.558 155 1HG1 ILE 19 2HG1 ILE 19 -9.959 -16.697 5.457 156 2HG1 ILE 19 1HG1 ILE 19 -9.994 -18.266 4.652 157 1HG2 ILE 19 1HG2 ILE 19 -10.162 -14.549 2.733 158 2HG2 ILE 19 2HG2 ILE 19 -8.528 -14.880 3.307 159 3HG2 ILE 19 3HG2 ILE 19 -9.859 -14.770 4.456 160 1HD1 ILE 19 1HD1 ILE 19 -7.825 -18.287 5.462 161 2HD1 ILE 19 2HD1 ILE 19 -7.649 -16.537 5.334 162 3HD1 ILE 19 3HD1 ILE 19 -7.552 -17.542 3.888 163 H LYS 20 H LYS 20 -12.468 -14.636 2.315 164 HA LYS 20 HA LYS 20 -13.944 -13.156 3.402 165 1HB LYS 20 2HB LYS 20 -14.922 -15.732 3.510 166 2HB LYS 20 1HB LYS 20 -14.975 -15.252 5.206 167 1HG LYS 20 2HG LYS 20 -15.929 -13.166 3.362 168 2HG LYS 20 1HG LYS 20 -16.903 -14.637 3.331 169 1HD LYS 20 2HD LYS 20 -16.091 -13.441 5.969 170 2HD LYS 20 1HD LYS 20 -17.463 -12.770 5.087 171 1HE LYS 20 2HE LYS 20 -18.550 -14.981 5.045 172 2HE LYS 20 1HE LYS 20 -17.158 -15.690 5.890 173 1HZ LYS 20 1HZ LYS 20 -18.816 -13.436 6.907 174 2HZ LYS 20 2HZ LYS 20 -17.500 -14.153 7.711 175 3HZ LYS 20 3HZ LYS 20 -18.924 -15.042 7.444 176 H THR 21 H THR 21 -11.292 -13.350 4.524 177 HA THR 21 HA THR 21 -11.866 -12.443 7.297 178 HB THR 21 HB THR 21 -9.773 -14.532 6.603 179 HG1 THR 21 1HG THR 21 -11.539 -15.710 6.510 180 1HG2 THR 21 1HG2 THR 21 -10.809 -13.407 9.216 181 2HG2 THR 21 2HG2 THR 21 -9.179 -13.247 8.562 182 3HG2 THR 21 3HG2 THR 21 -9.763 -14.822 9.100 183 H TRP 22 H TRP 22 -10.188 -11.035 8.108 184 HA TRP 22 HA TRP 22 -8.495 -9.837 5.974 185 1HB TRP 22 2HB TRP 22 -9.336 -8.989 8.765 186 2HB TRP 22 1HB TRP 22 -8.266 -8.031 7.742 187 HD1 TRP 22 HD TRP 22 -11.868 -9.319 7.934 188 HE1 TRP 22 1HE TRP 22 -13.340 -7.907 6.360 189 HE3 TRP 22 3HE TRP 22 -8.270 -6.499 5.661 190 HZ2 TRP 22 2HZ TRP 22 -13.033 -5.851 4.397 191 HZ3 TRP 22 3HZ TRP 22 -8.887 -4.824 3.941 192 HH2 TRP 22 HH TRP 22 -11.262 -4.498 3.305 193 H ARG 23 H ARG 23 -6.397 -10.504 5.849 194 HA ARG 23 HA ARG 23 -5.097 -11.623 8.302 195 1HB ARG 23 2HB ARG 23 -3.591 -12.714 6.634 196 2HB ARG 23 1HB ARG 23 -5.282 -13.138 6.397 197 1HG ARG 23 2HG ARG 23 -4.508 -10.738 4.901 198 2HG ARG 23 1HG ARG 23 -3.568 -12.156 4.442 199 1HD ARG 23 2HD ARG 23 -6.565 -12.382 4.714 200 2HD ARG 23 1HD ARG 23 -5.855 -11.731 3.226 201 HE ARG 23 HE ARG 23 -5.635 -14.503 4.170 202 1HH1 ARG 23 1HH2 ARG 23 -4.235 -11.984 2.214 203 2HH1 ARG 23 2HH2 ARG 23 -3.467 -13.089 1.128 204 1HH2 ARG 23 1HH1 ARG 23 -4.632 -15.932 2.741 205 2HH2 ARG 23 2HH1 ARG 23 -3.698 -15.316 1.420 206 HA PRO 24 HA PRO 24 -2.454 -8.086 8.367 207 1HB PRO 24 2HB PRO 24 -0.503 -9.080 10.006 208 2HB PRO 24 1HB PRO 24 -2.100 -8.575 10.594 209 1HG PRO 24 2HG PRO 24 -1.052 -11.302 10.071 210 2HG PRO 24 1HG PRO 24 -2.150 -10.736 11.337 211 1HD PRO 24 2HD PRO 24 -2.946 -12.080 9.077 212 2HD PRO 24 1HD PRO 24 -3.993 -11.004 10.028 213 H ARG 25 H ARG 25 -0.821 -7.391 7.030 214 HA ARG 25 HA ARG 25 1.187 -9.363 6.017 215 1HB ARG 25 2HB ARG 25 -1.040 -8.132 4.639 216 2HB ARG 25 1HB ARG 25 0.478 -7.606 3.909 217 1HG ARG 25 2HG ARG 25 0.700 -9.601 2.901 218 2HG ARG 25 1HG ARG 25 0.689 -10.403 4.472 219 1HD ARG 25 2HD ARG 25 -1.570 -10.914 4.352 220 2HD ARG 25 1HD ARG 25 -1.941 -9.506 3.339 221 HE ARG 25 HE ARG 25 -1.034 -12.107 2.374 222 1HH1 ARG 25 1HH2 ARG 25 -1.056 -8.675 1.780 223 2HH1 ARG 25 2HH2 ARG 25 -0.858 -8.850 0.071 224 1HH2 ARG 25 1HH1 ARG 25 -0.777 -12.319 0.141 225 2HH2 ARG 25 2HH1 ARG 25 -0.703 -10.903 -0.855 226 H TYR 26 H TYR 26 3.226 -8.447 5.680 227 HA TYR 26 HA TYR 26 3.774 -5.844 6.886 228 1HB TYR 26 2HB TYR 26 5.181 -8.017 6.836 229 2HB TYR 26 1HB TYR 26 5.614 -7.556 5.191 230 HD1 TYR 26 1HD TYR 26 6.574 -7.313 8.555 231 HD2 TYR 26 2HD TYR 26 6.378 -4.986 4.950 232 HE1 TYR 26 1HE TYR 26 8.316 -5.793 9.444 233 HE2 TYR 26 2HE TYR 26 8.122 -3.466 5.841 234 HH TYR 26 HH TYR 26 8.863 -2.955 8.634 235 H PHE 27 H PHE 27 3.001 -4.103 5.673 236 HA PHE 27 HA PHE 27 3.669 -4.048 2.748 237 1HB PHE 27 2HB PHE 27 1.323 -3.408 4.377 238 2HB PHE 27 1HB PHE 27 1.754 -2.103 3.273 239 HD1 PHE 27 1HD PHE 27 1.975 -2.574 0.812 240 HD2 PHE 27 2HD PHE 27 0.405 -5.466 3.574 241 HE1 PHE 27 1HE PHE 27 0.991 -3.842 -1.076 242 HE2 PHE 27 2HE PHE 27 -0.579 -6.732 1.684 243 HZ PHE 27 HZ PHE 27 -0.287 -5.922 -0.642 244 H LEU 28 H LEU 28 4.897 -2.321 1.991 245 HA LEU 28 HA LEU 28 5.387 -0.020 3.835 246 1HB LEU 28 2HB LEU 28 7.829 -0.286 3.409 247 2HB LEU 28 1HB LEU 28 7.138 -1.680 4.237 248 HG LEU 28 HG LEU 28 6.941 -2.004 1.360 249 1HD1 LEU 28 1HD1 LEU 28 9.076 -0.496 1.769 250 2HD1 LEU 28 2HD1 LEU 28 9.153 -1.869 0.665 251 3HD1 LEU 28 3HD1 LEU 28 9.785 -2.020 2.304 252 1HD2 LEU 28 1HD2 LEU 28 8.114 -3.468 3.715 253 2HD2 LEU 28 2HD2 LEU 28 8.433 -4.035 2.076 254 3HD2 LEU 28 3HD2 LEU 28 6.775 -3.944 2.670 255 H LEU 29 H LEU 29 5.863 1.920 2.781 256 HA LEU 29 HA LEU 29 5.377 1.971 -0.164 257 1HB LEU 29 2HB LEU 29 4.047 3.356 1.472 258 2HB LEU 29 1HB LEU 29 5.532 4.212 1.884 259 HG LEU 29 HG LEU 29 5.752 4.726 -0.621 260 1HD1 LEU 29 1HD1 LEU 29 3.763 4.572 -1.974 261 2HD1 LEU 29 2HD1 LEU 29 2.801 4.038 -0.595 262 3HD1 LEU 29 3HD1 LEU 29 4.040 2.978 -1.269 263 1HD2 LEU 29 1HD2 LEU 29 3.465 5.839 1.033 264 2HD2 LEU 29 2HD2 LEU 29 4.026 6.572 -0.470 265 3HD2 LEU 29 3HD2 LEU 29 5.107 6.473 0.920 266 H LYS 30 H LYS 30 7.032 2.515 -1.578 267 HA LYS 30 HA LYS 30 9.719 3.039 -0.408 268 1HB LYS 30 2HB LYS 30 8.661 2.097 -3.081 269 2HB LYS 30 1HB LYS 30 10.365 2.471 -2.825 270 1HG LYS 30 2HG LYS 30 9.370 0.794 -0.680 271 2HG LYS 30 1HG LYS 30 9.063 0.040 -2.246 272 1HD LYS 30 2HD LYS 30 11.475 0.507 -2.844 273 2HD LYS 30 1HD LYS 30 11.726 1.004 -1.170 274 1HE LYS 30 2HE LYS 30 11.132 -1.204 -0.353 275 2HE LYS 30 1HE LYS 30 10.647 -1.721 -1.979 276 1HZ LYS 30 1HZ LYS 30 12.953 -2.375 -1.390 277 2HZ LYS 30 2HZ LYS 30 13.364 -0.729 -1.285 278 3HZ LYS 30 3HZ LYS 30 12.866 -1.393 -2.769 279 H SER 31 H SER 31 11.132 4.467 -1.909 280 HA SER 31 HA SER 31 10.013 7.148 -1.989 281 1HB SER 31 2HB SER 31 12.486 5.977 -1.765 282 2HB SER 31 1HB SER 31 12.530 6.566 -3.425 283 HG SER 31 HG SER 31 13.221 8.188 -2.037 284 H ASP 32 H ASP 32 10.086 4.558 -4.287 285 HA ASP 32 HA ASP 32 9.966 6.320 -6.662 286 1HB ASP 32 2HB ASP 32 11.076 3.973 -6.332 287 2HB ASP 32 1HB ASP 32 9.443 3.352 -6.566 288 H GLY 33 H GLY 33 7.734 5.573 -4.328 289 1HA GLY 33 2HA GLY 33 5.405 5.941 -4.347 290 2HA GLY 33 1HA GLY 33 5.485 6.166 -6.097 291 H SER 34 H SER 34 6.660 3.384 -4.220 292 HA SER 34 HA SER 34 4.552 1.703 -5.528 293 1HB SER 34 2HB SER 34 6.304 0.050 -5.995 294 2HB SER 34 1HB SER 34 6.750 1.600 -6.699 295 HG SER 34 HG SER 34 8.463 0.588 -5.517 296 H PHE 35 H PHE 35 3.573 0.290 -4.142 297 HA PHE 35 HA PHE 35 4.511 0.207 -1.317 298 1HB PHE 35 2HB PHE 35 2.030 0.450 -2.649 299 2HB PHE 35 1HB PHE 35 2.014 -1.153 -1.917 300 HD1 PHE 35 1HD PHE 35 3.200 -1.110 0.569 301 HD2 PHE 35 2HD PHE 35 1.134 2.139 -1.334 302 HE1 PHE 35 1HE PHE 35 2.756 -0.092 2.787 303 HE2 PHE 35 2HE PHE 35 0.693 3.158 0.883 304 HZ PHE 35 HZ PHE 35 1.503 2.041 2.943 305 H ILE 36 H ILE 36 5.446 -1.648 -0.520 306 HA ILE 36 HA ILE 36 5.452 -4.076 -2.275 307 HB ILE 36 HB ILE 36 7.200 -3.154 0.038 308 1HG1 ILE 36 2HG1 ILE 36 7.589 -1.856 -1.987 309 2HG1 ILE 36 1HG1 ILE 36 8.932 -2.974 -1.765 310 1HG2 ILE 36 1HG2 ILE 36 7.233 -5.525 0.118 311 2HG2 ILE 36 2HG2 ILE 36 8.670 -5.084 -0.805 312 3HG2 ILE 36 3HG2 ILE 36 7.229 -5.664 -1.640 313 1HD1 ILE 36 1HD1 ILE 36 6.594 -3.279 -3.667 314 2HD1 ILE 36 2HD1 ILE 36 7.748 -4.568 -3.329 315 3HD1 ILE 36 3HD1 ILE 36 8.293 -3.074 -4.088 316 H GLY 37 H GLY 37 4.211 -5.772 -1.623 317 1HA GLY 37 2HA GLY 37 3.182 -5.792 1.178 318 2HA GLY 37 1HA GLY 37 2.375 -6.550 -0.195 319 H TYR 38 H TYR 38 4.278 -7.161 2.464 320 HA TYR 38 HA TYR 38 5.437 -9.670 1.299 321 1HB TYR 38 2HB TYR 38 6.509 -7.588 2.829 322 2HB TYR 38 1HB TYR 38 6.250 -8.880 4.000 323 HD1 TYR 38 1HD TYR 38 8.276 -7.701 1.247 324 HD2 TYR 38 2HD TYR 38 7.193 -11.185 3.512 325 HE1 TYR 38 1HE TYR 38 10.288 -8.877 0.403 326 HE2 TYR 38 2HE TYR 38 9.204 -12.361 2.667 327 HH TYR 38 HH TYR 38 10.816 -11.622 0.104 328 H LYS 39 H LYS 39 4.553 -11.602 2.004 329 HA LYS 39 HA LYS 39 2.203 -11.732 3.621 330 1HB LYS 39 2HB LYS 39 2.492 -14.116 3.406 331 2HB LYS 39 1HB LYS 39 3.084 -13.395 1.913 332 1HG LYS 39 2HG LYS 39 5.327 -13.803 2.448 333 2HG LYS 39 1HG LYS 39 5.000 -13.905 4.176 334 1HD LYS 39 2HD LYS 39 3.862 -15.921 2.239 335 2HD LYS 39 1HD LYS 39 5.464 -16.122 2.945 336 1HE LYS 39 2HE LYS 39 3.177 -15.507 4.794 337 2HE LYS 39 1HE LYS 39 3.336 -17.156 4.161 338 1HZ LYS 39 1HZ LYS 39 4.694 -16.285 6.278 339 2HZ LYS 39 2HZ LYS 39 5.801 -15.876 5.055 340 3HZ LYS 39 3HZ LYS 39 5.283 -17.485 5.234 341 H GLU 40 H GLU 40 5.620 -11.859 4.475 342 HA GLU 40 HA GLU 40 4.878 -11.767 7.357 343 1HB GLU 40 2HB GLU 40 5.624 -14.102 6.081 344 2HB GLU 40 1HB GLU 40 7.162 -13.520 6.716 345 1HG GLU 40 2HG GLU 40 6.266 -14.833 8.473 346 2HG GLU 40 1HG GLU 40 5.902 -13.172 8.942 347 H ARG 41 H ARG 41 7.577 -11.977 8.275 348 HA ARG 41 HA ARG 41 8.549 -9.291 7.738 349 1HB ARG 41 2HB ARG 41 9.270 -11.673 9.394 350 2HB ARG 41 1HB ARG 41 10.540 -10.482 9.110 351 1HG ARG 41 2HG ARG 41 9.631 -9.127 10.658 352 2HG ARG 41 1HG ARG 41 8.128 -9.074 9.738 353 1HD ARG 41 2HD ARG 41 7.394 -9.982 11.772 354 2HD ARG 41 1HD ARG 41 7.733 -11.457 10.845 355 HE ARG 41 HE ARG 41 10.180 -10.882 11.977 356 1HH1 ARG 41 1HH2 ARG 41 6.948 -11.194 13.236 357 2HH1 ARG 41 2HH2 ARG 41 7.480 -11.731 14.792 358 1HH2 ARG 41 1HH1 ARG 41 10.858 -11.588 14.009 359 2HH2 ARG 41 2HH1 ARG 41 9.685 -11.956 15.228 360 HA PRO 42 HA PRO 42 11.461 -10.123 4.537 361 1HB PRO 42 2HB PRO 42 13.657 -8.670 5.281 362 2HB PRO 42 1HB PRO 42 12.158 -7.922 4.697 363 1HG PRO 42 2HG PRO 42 13.182 -8.192 7.468 364 2HG PRO 42 1HG PRO 42 12.262 -6.876 6.725 365 1HD PRO 42 2HD PRO 42 11.192 -8.789 8.390 366 2HD PRO 42 1HD PRO 42 10.261 -7.840 7.213 367 H GLU 43 H GLU 43 12.680 -11.949 4.163 368 HA GLU 43 HA GLU 43 14.167 -13.170 6.449 369 1HB GLU 43 2HB GLU 43 12.700 -14.056 4.044 370 2HB GLU 43 1HB GLU 43 14.164 -14.976 4.385 371 1HG GLU 43 2HG GLU 43 12.577 -16.127 5.656 372 2HG GLU 43 1HG GLU 43 13.248 -15.011 6.844 373 H ALA 44 H ALA 44 15.124 -10.909 4.501 374 HA ALA 44 HA ALA 44 17.338 -12.139 3.036 375 1HB ALA 44 1HB ALA 44 16.146 -9.437 3.476 376 2HB ALA 44 2HB ALA 44 16.595 -10.233 1.967 377 3HB ALA 44 3HB ALA 44 17.836 -9.492 2.976 378 HA PRO 45 HA PRO 45 20.284 -11.944 6.322 379 1HB PRO 45 2HB PRO 45 22.582 -11.848 4.834 380 2HB PRO 45 1HB PRO 45 21.613 -13.323 5.023 381 1HG PRO 45 2HG PRO 45 21.733 -11.417 2.745 382 2HG PRO 45 1HG PRO 45 21.567 -13.179 2.736 383 1HD PRO 45 2HD PRO 45 19.481 -11.447 2.341 384 2HD PRO 45 1HD PRO 45 19.295 -13.094 2.979 385 H ASP 46 H ASP 46 20.579 -9.618 3.637 386 HA ASP 46 HA ASP 46 21.501 -7.549 5.604 387 1HB ASP 46 2HB ASP 46 23.367 -8.147 4.224 388 2HB ASP 46 1HB ASP 46 22.369 -8.196 2.773 389 H GLN 47 H GLN 47 20.513 -7.451 2.160 390 HA GLN 47 HA GLN 47 17.975 -6.102 2.817 391 1HB GLN 47 2HB GLN 47 20.100 -4.513 2.849 392 2HB GLN 47 1HB GLN 47 19.910 -4.579 1.096 393 1HG GLN 47 2HG GLN 47 18.542 -2.773 1.585 394 2HG GLN 47 1HG GLN 47 17.369 -4.086 1.685 395 1HE2 GLN 47 1HE2 GLN 47 16.392 -4.489 3.728 396 2HE2 GLN 47 2HE2 GLN 47 16.791 -3.637 5.141 397 H THR 48 H THR 48 18.660 -8.528 1.392 398 HA THR 48 HA THR 48 17.887 -7.805 -1.413 399 HB THR 48 HB THR 48 20.159 -8.830 -0.962 400 HG1 THR 48 1HG THR 48 19.748 -9.335 -2.947 401 1HG2 THR 48 1HG2 THR 48 20.411 -10.814 0.112 402 2HG2 THR 48 2HG2 THR 48 18.991 -11.519 -0.660 403 3HG2 THR 48 3HG2 THR 48 18.801 -10.480 0.751 404 H LEU 49 H LEU 49 15.864 -7.926 0.398 405 HA LEU 49 HA LEU 49 14.693 -10.637 0.467 406 1HB LEU 49 2HB LEU 49 12.891 -9.453 1.733 407 2HB LEU 49 1HB LEU 49 14.492 -9.161 2.404 408 HG LEU 49 HG LEU 49 13.976 -7.171 0.400 409 1HD1 LEU 49 1HD1 LEU 49 12.044 -6.059 1.609 410 2HD1 LEU 49 2HD1 LEU 49 11.786 -7.586 2.451 411 3HD1 LEU 49 3HD1 LEU 49 11.612 -7.505 0.698 412 1HD2 LEU 49 1HD2 LEU 49 13.895 -6.674 3.363 413 2HD2 LEU 49 2HD2 LEU 49 14.674 -5.725 2.098 414 3HD2 LEU 49 3HD2 LEU 49 15.389 -7.251 2.621 415 HA PRO 50 HA PRO 50 12.593 -9.843 -3.389 416 1HB PRO 50 2HB PRO 50 11.362 -12.278 -3.568 417 2HB PRO 50 1HB PRO 50 13.079 -12.033 -3.945 418 1HG PRO 50 2HG PRO 50 11.823 -13.205 -1.531 419 2HG PRO 50 1HG PRO 50 13.351 -13.611 -2.322 420 1HD PRO 50 2HD PRO 50 13.105 -12.093 -0.024 421 2HD PRO 50 1HD PRO 50 14.516 -12.092 -1.103 422 HA PRO 51 HA PRO 51 8.770 -8.650 -1.294 423 1HB PRO 51 2HB PRO 51 7.901 -6.964 -3.267 424 2HB PRO 51 1HB PRO 51 9.119 -6.503 -2.062 425 1HG PRO 51 2HG PRO 51 9.491 -7.372 -4.885 426 2HG PRO 51 1HG PRO 51 10.339 -6.116 -3.970 427 1HD PRO 51 2HD PRO 51 11.386 -8.581 -4.443 428 2HD PRO 51 1HD PRO 51 11.790 -7.606 -3.013 429 H LEU 52 H LEU 52 6.868 -9.796 -1.398 430 HA LEU 52 HA LEU 52 6.337 -11.570 -3.666 431 1HB LEU 52 2HB LEU 52 4.971 -10.943 -1.036 432 2HB LEU 52 1HB LEU 52 4.355 -12.153 -2.163 433 HG LEU 52 HG LEU 52 7.234 -12.422 -1.635 434 1HD1 LEU 52 1HD1 LEU 52 6.306 -11.593 0.588 435 2HD1 LEU 52 2HD1 LEU 52 7.086 -13.174 0.633 436 3HD1 LEU 52 3HD1 LEU 52 5.327 -13.059 0.626 437 1HD2 LEU 52 1HD2 LEU 52 5.599 -14.033 -2.794 438 2HD2 LEU 52 2HD2 LEU 52 5.001 -14.410 -1.178 439 3HD2 LEU 52 3HD2 LEU 52 6.682 -14.738 -1.594 440 H ASN 53 H ASN 53 4.520 -8.862 -2.140 441 HA ASN 53 HA ASN 53 2.867 -8.681 -4.634 442 1HB ASN 53 2HB ASN 53 2.500 -8.059 -1.723 443 2HB ASN 53 1HB ASN 53 1.557 -7.145 -2.898 444 1HD2 ASN 53 1HD2 ASN 53 0.603 -8.784 -4.727 445 2HD2 ASN 53 2HD2 ASN 53 -0.146 -10.165 -4.085 446 H ASN 54 H ASN 54 3.164 -6.912 -5.946 447 HA ASN 54 HA ASN 54 4.681 -4.571 -4.819 448 1HB ASN 54 2HB ASN 54 4.735 -5.479 -7.708 449 2HB ASN 54 1HB ASN 54 5.907 -4.480 -6.852 450 1HD2 ASN 54 1HD2 ASN 54 7.120 -5.680 -5.002 451 2HD2 ASN 54 2HD2 ASN 54 7.483 -7.317 -5.257 452 H PHE 55 H PHE 55 3.163 -2.953 -4.619 453 HA PHE 55 HA PHE 55 1.075 -2.657 -6.753 454 1HB PHE 55 2HB PHE 55 0.228 -2.997 -4.501 455 2HB PHE 55 1HB PHE 55 1.286 -1.738 -3.867 456 HD1 PHE 55 1HD PHE 55 -1.292 -2.161 -6.572 457 HD2 PHE 55 2HD PHE 55 0.341 0.359 -3.501 458 HE1 PHE 55 1HE PHE 55 -3.034 -0.460 -7.041 459 HE2 PHE 55 2HE PHE 55 -1.401 2.060 -3.970 460 HZ PHE 55 HZ PHE 55 -3.089 1.652 -5.740 461 H SER 56 H SER 56 1.012 -0.748 -7.954 462 HA SER 56 HA SER 56 3.218 1.211 -7.498 463 1HB SER 56 2HB SER 56 1.449 0.403 -9.804 464 2HB SER 56 1HB SER 56 2.338 1.922 -9.855 465 HG SER 56 HG SER 56 4.194 0.849 -9.933 466 H VAL 57 H VAL 57 2.691 3.094 -6.477 467 HA VAL 57 HA VAL 57 -0.106 4.138 -6.760 468 HB VAL 57 HB VAL 57 0.298 3.041 -4.581 469 1HG1 VAL 57 1HG1 VAL 57 2.547 5.061 -4.328 470 2HG1 VAL 57 2HG1 VAL 57 2.710 3.308 -4.404 471 3HG1 VAL 57 3HG1 VAL 57 1.945 4.061 -3.007 472 1HG2 VAL 57 1HG2 VAL 57 -0.826 5.504 -4.991 473 2HG2 VAL 57 2HG2 VAL 57 0.352 5.870 -3.733 474 3HG2 VAL 57 3HG2 VAL 57 -0.876 4.635 -3.458 475 H ALA 58 H ALA 58 1.589 5.114 -8.568 476 HA ALA 58 HA ALA 58 3.147 7.410 -7.615 477 1HB ALA 58 1HB ALA 58 2.338 6.259 -10.294 478 2HB ALA 58 2HB ALA 58 3.937 6.269 -9.552 479 3HB ALA 58 3HB ALA 58 3.245 7.767 -10.174 480 H GLU 59 H GLU 59 0.107 6.941 -9.438 481 HA GLU 59 HA GLU 59 -0.900 9.543 -8.411 482 1HB GLU 59 2HB GLU 59 0.310 9.285 -10.907 483 2HB GLU 59 1HB GLU 59 -1.408 9.148 -11.279 484 1HG GLU 59 2HG GLU 59 -1.498 11.400 -11.172 485 2HG GLU 59 1HG GLU 59 -1.278 11.239 -9.430 486 H CYS 60 H CYS 60 -2.393 8.169 -7.222 487 HA CYS 60 HA CYS 60 -4.556 6.997 -8.938 488 1HB CYS 60 2HB CYS 60 -2.665 5.678 -7.258 489 2HB CYS 60 1HB CYS 60 -4.241 5.551 -6.475 490 H GLN 61 H GLN 61 -6.526 6.480 -7.386 491 HA GLN 61 HA GLN 61 -7.101 8.976 -5.875 492 1HB GLN 61 2HB GLN 61 -8.769 6.641 -6.862 493 2HB GLN 61 1HB GLN 61 -9.438 8.027 -6.001 494 1HG GLN 61 2HG GLN 61 -8.738 9.537 -7.754 495 2HG GLN 61 1HG GLN 61 -7.839 8.255 -8.566 496 1HE2 GLN 61 1HE2 GLN 61 -9.426 6.174 -8.935 497 2HE2 GLN 61 2HE2 GLN 61 -10.926 6.577 -9.623 498 H LEU 62 H LEU 62 -7.280 8.984 -3.650 499 HA LEU 62 HA LEU 62 -7.285 6.333 -2.233 500 1HB LEU 62 2HB LEU 62 -5.800 7.386 -0.582 501 2HB LEU 62 1HB LEU 62 -5.103 7.529 -2.194 502 HG LEU 62 HG LEU 62 -6.698 9.815 -1.933 503 1HD1 LEU 62 1HD1 LEU 62 -5.755 10.795 0.205 504 2HD1 LEU 62 2HD1 LEU 62 -5.248 9.164 0.645 505 3HD1 LEU 62 3HD1 LEU 62 -6.961 9.530 0.442 506 1HD2 LEU 62 1HD2 LEU 62 -4.355 10.889 -1.569 507 2HD2 LEU 62 2HD2 LEU 62 -4.623 9.965 -3.046 508 3HD2 LEU 62 3HD2 LEU 62 -3.745 9.240 -1.700 509 H MET 63 H MET 63 -8.594 6.209 -0.357 510 HA MET 63 HA MET 63 -10.076 8.611 0.551 511 1HB MET 63 2HB MET 63 -11.356 7.831 -1.371 512 2HB MET 63 1HB MET 63 -11.331 6.177 -0.763 513 1HG MET 63 2HG MET 63 -13.145 6.562 0.516 514 2HG MET 63 1HG MET 63 -12.374 7.959 1.266 515 1HE MET 63 1HE MET 63 -15.432 9.909 0.432 516 2HE MET 63 2HE MET 63 -14.051 9.677 1.502 517 3HE MET 63 3HE MET 63 -15.200 8.363 1.259 518 H LYS 64 H LYS 64 -10.268 8.449 2.758 519 HA LYS 64 HA LYS 64 -9.637 5.911 4.120 520 1HB LYS 64 2HB LYS 64 -10.341 8.728 5.007 521 2HB LYS 64 1HB LYS 64 -9.963 7.429 6.138 522 1HG LYS 64 2HG LYS 64 -7.739 7.205 5.291 523 2HG LYS 64 1HG LYS 64 -8.099 8.208 3.885 524 1HD LYS 64 2HD LYS 64 -7.135 9.849 5.147 525 2HD LYS 64 1HD LYS 64 -8.738 9.938 5.875 526 1HE LYS 64 2HE LYS 64 -7.613 9.579 7.839 527 2HE LYS 64 1HE LYS 64 -7.587 7.884 7.313 528 1HZ LYS 64 1HZ LYS 64 -5.533 8.458 6.028 529 2HZ LYS 64 2HZ LYS 64 -5.346 8.517 7.715 530 3HZ LYS 64 3HZ LYS 64 -5.511 9.957 6.827 531 H THR 65 H THR 65 -11.162 4.732 5.416 532 HA THR 65 HA THR 65 -13.975 5.671 5.492 533 HB THR 65 HB THR 65 -13.732 4.581 3.316 534 HG1 THR 65 1HG THR 65 -15.404 3.193 3.553 535 1HG2 THR 65 1HG2 THR 65 -11.924 3.136 3.411 536 2HG2 THR 65 2HG2 THR 65 -13.257 1.987 3.522 537 3HG2 THR 65 3HG2 THR 65 -12.395 2.480 4.978 538 H GLU 66 H GLU 66 -15.363 3.941 6.661 539 HA GLU 66 HA GLU 66 -13.741 2.635 8.830 540 1HB GLU 66 2HB GLU 66 -16.536 3.760 9.118 541 2HB GLU 66 1HB GLU 66 -15.375 3.397 10.391 542 1HG GLU 66 2HG GLU 66 -14.537 5.395 8.340 543 2HG GLU 66 1HG GLU 66 -15.778 5.897 9.482 544 H ARG 67 H ARG 67 -15.039 1.615 6.204 545 HA ARG 67 HA ARG 67 -16.597 -0.620 7.463 546 1HB ARG 67 2HB ARG 67 -17.512 1.405 5.741 547 2HB ARG 67 1HB ARG 67 -17.332 -0.015 4.711 548 1HG ARG 67 2HG ARG 67 -19.400 -0.552 5.506 549 2HG ARG 67 1HG ARG 67 -18.500 -1.135 6.904 550 1HD ARG 67 2HD ARG 67 -19.508 0.409 8.213 551 2HD ARG 67 1HD ARG 67 -18.894 1.710 7.174 552 HE ARG 67 HE ARG 67 -20.965 0.644 5.688 553 1HH1 ARG 67 1HH2 ARG 67 -20.664 1.837 8.944 554 2HH1 ARG 67 2HH2 ARG 67 -22.306 2.369 9.026 555 1HH2 ARG 67 1HH1 ARG 67 -23.105 1.343 5.809 556 2HH2 ARG 67 2HH1 ARG 67 -23.685 2.091 7.259 557 HA PRO 68 HA PRO 68 -17.427 -2.526 6.797 558 1HB PRO 68 2HB PRO 68 -16.489 -4.947 7.673 559 2HB PRO 68 1HB PRO 68 -17.184 -4.699 6.058 560 1HG PRO 68 2HG PRO 68 -14.326 -4.838 6.885 561 2HG PRO 68 1HG PRO 68 -15.121 -5.517 5.456 562 1HD PRO 68 2HD PRO 68 -13.651 -3.242 5.379 563 2HD PRO 68 1HD PRO 68 -15.030 -3.538 4.299 564 H ARG 69 H ARG 69 -14.065 -2.631 7.947 565 HA ARG 69 HA ARG 69 -15.018 -2.319 10.767 566 1HB ARG 69 2HB ARG 69 -12.545 -3.320 9.391 567 2HB ARG 69 1HB ARG 69 -12.398 -2.693 11.032 568 1HG ARG 69 2HG ARG 69 -13.269 -4.586 11.883 569 2HG ARG 69 1HG ARG 69 -14.701 -4.423 10.867 570 1HD ARG 69 2HD ARG 69 -13.844 -6.436 10.060 571 2HD ARG 69 1HD ARG 69 -13.025 -5.302 8.977 572 HE ARG 69 HE ARG 69 -11.082 -5.355 10.569 573 1HH1 ARG 69 1HH2 ARG 69 -13.457 -7.916 10.763 574 2HH1 ARG 69 2HH2 ARG 69 -12.354 -9.027 11.489 575 1HH2 ARG 69 1HH1 ARG 69 -9.677 -6.827 11.512 576 2HH2 ARG 69 2HH1 ARG 69 -10.228 -8.419 11.909 577 HA PRO 70 HA PRO 70 -13.853 1.922 10.807 578 1HB PRO 70 2HB PRO 70 -12.865 2.195 13.353 579 2HB PRO 70 1HB PRO 70 -14.597 2.037 12.993 580 1HG PRO 70 2HG PRO 70 -12.659 -0.041 13.906 581 2HG PRO 70 1HG PRO 70 -14.329 0.248 14.425 582 1HD PRO 70 2HD PRO 70 -13.682 -1.714 12.690 583 2HD PRO 70 1HD PRO 70 -15.227 -0.836 12.599 584 H ASN 71 H ASN 71 -11.952 3.338 10.828 585 HA ASN 71 HA ASN 71 -9.690 3.844 10.421 586 1HB ASN 71 2HB ASN 71 -9.118 1.247 11.881 587 2HB ASN 71 1HB ASN 71 -8.091 2.674 11.786 588 1HD2 ASN 71 1HD2 ASN 71 -9.716 4.773 12.494 589 2HD2 ASN 71 2HD2 ASN 71 -10.396 4.530 14.028 590 H THR 72 H THR 72 -10.884 2.806 8.236 591 HA THR 72 HA THR 72 -8.984 0.716 7.206 592 HB THR 72 HB THR 72 -11.926 1.259 6.808 593 HG1 THR 72 1HG THR 72 -12.002 -0.445 7.997 594 1HG2 THR 72 1HG2 THR 72 -11.830 -0.556 5.038 595 2HG2 THR 72 2HG2 THR 72 -10.082 -0.331 5.010 596 3HG2 THR 72 3HG2 THR 72 -11.147 0.995 4.549 597 H PHE 73 H PHE 73 -8.442 0.913 4.902 598 HA PHE 73 HA PHE 73 -8.576 3.741 3.886 599 1HB PHE 73 2HB PHE 73 -6.418 1.935 4.481 600 2HB PHE 73 1HB PHE 73 -6.429 2.239 2.746 601 HD1 PHE 73 1HD PHE 73 -4.627 3.209 5.297 602 HD2 PHE 73 2HD PHE 73 -7.465 5.028 2.633 603 HE1 PHE 73 1HE PHE 73 -3.576 5.415 5.679 604 HE2 PHE 73 2HE PHE 73 -6.412 7.236 3.023 605 HZ PHE 73 HZ PHE 73 -4.464 7.427 4.546 606 H VAL 74 H VAL 74 -9.009 3.994 1.644 607 HA VAL 74 HA VAL 74 -9.579 1.512 0.067 608 HB VAL 74 HB VAL 74 -11.314 3.947 0.571 609 1HG1 VAL 74 1HG1 VAL 74 -11.403 3.614 -1.818 610 2HG1 VAL 74 2HG1 VAL 74 -12.868 2.908 -1.136 611 3HG1 VAL 74 3HG1 VAL 74 -11.532 1.866 -1.624 612 1HG2 VAL 74 1HG2 VAL 74 -11.987 0.998 0.680 613 2HG2 VAL 74 2HG2 VAL 74 -12.919 2.340 1.341 614 3HG2 VAL 74 3HG2 VAL 74 -11.381 1.888 2.074 615 H ILE 75 H ILE 75 -8.983 1.684 -2.109 616 HA ILE 75 HA ILE 75 -8.026 4.352 -3.076 617 HB ILE 75 HB ILE 75 -6.124 3.056 -2.251 618 1HG1 ILE 75 2HG1 ILE 75 -5.548 2.488 -5.032 619 2HG1 ILE 75 1HG1 ILE 75 -6.397 4.026 -4.885 620 1HG2 ILE 75 1HG2 ILE 75 -7.206 0.882 -4.064 621 2HG2 ILE 75 2HG2 ILE 75 -6.992 0.810 -2.315 622 3HG2 ILE 75 3HG2 ILE 75 -5.583 0.856 -3.374 623 1HD1 ILE 75 1HD1 ILE 75 -3.973 4.374 -4.691 624 2HD1 ILE 75 2HD1 ILE 75 -3.903 3.221 -3.358 625 3HD1 ILE 75 3HD1 ILE 75 -4.767 4.746 -3.160 626 H ARG 76 H ARG 76 -8.622 4.788 -5.196 627 HA ARG 76 HA ARG 76 -10.130 2.640 -6.638 628 1HB ARG 76 2HB ARG 76 -10.195 5.662 -6.600 629 2HB ARG 76 1HB ARG 76 -11.002 4.741 -7.867 630 1HG ARG 76 2HG ARG 76 -12.764 4.626 -6.456 631 2HG ARG 76 1HG ARG 76 -11.809 3.454 -5.547 632 1HD ARG 76 2HD ARG 76 -11.057 5.084 -4.000 633 2HD ARG 76 1HD ARG 76 -11.506 6.429 -5.066 634 HE ARG 76 HE ARG 76 -13.384 4.779 -3.469 635 1HH1 ARG 76 1HH2 ARG 76 -12.875 7.245 -5.884 636 2HH1 ARG 76 2HH2 ARG 76 -14.472 7.886 -5.727 637 1HH2 ARG 76 1HH1 ARG 76 -15.461 5.629 -3.288 638 2HH2 ARG 76 2HH1 ARG 76 -15.930 6.976 -4.270 639 H CYS 77 H CYS 77 -8.343 1.639 -7.708 640 HA CYS 77 HA CYS 77 -6.951 3.356 -9.745 641 1HB CYS 77 2HB CYS 77 -5.992 0.931 -8.186 642 2HB CYS 77 1HB CYS 77 -5.066 1.730 -9.457 643 H LEU 78 H LEU 78 -6.557 2.313 -11.806 644 HA LEU 78 HA LEU 78 -8.682 0.624 -12.772 645 1HB LEU 78 2HB LEU 78 -6.166 1.870 -13.750 646 2HB LEU 78 1HB LEU 78 -6.721 0.467 -14.662 647 HG LEU 78 HG LEU 78 -9.012 1.578 -14.747 648 1HD1 LEU 78 1HD1 LEU 78 -8.702 3.167 -12.913 649 2HD1 LEU 78 2HD1 LEU 78 -9.000 4.048 -14.410 650 3HD1 LEU 78 3HD1 LEU 78 -7.362 3.930 -13.769 651 1HD2 LEU 78 1HD2 LEU 78 -6.562 2.757 -16.068 652 2HD2 LEU 78 2HD2 LEU 78 -8.185 3.313 -16.475 653 3HD2 LEU 78 3HD2 LEU 78 -7.736 1.630 -16.748 654 H GLN 79 H GLN 79 -7.933 -1.463 -14.115 655 HA GLN 79 HA GLN 79 -6.978 -3.407 -12.163 656 1HB GLN 79 2HB GLN 79 -7.907 -3.394 -15.027 657 2HB GLN 79 1HB GLN 79 -7.164 -4.850 -14.364 658 1HG GLN 79 2HG GLN 79 -9.162 -5.379 -13.471 659 2HG GLN 79 1HG GLN 79 -8.986 -3.989 -12.398 660 1HE2 GLN 79 1HE2 GLN 79 -10.213 -4.888 -15.663 661 2HE2 GLN 79 2HE2 GLN 79 -11.369 -3.646 -15.732 662 H TRP 80 H TRP 80 -5.793 -3.093 -15.517 663 HA TRP 80 HA TRP 80 -3.630 -3.181 -16.424 664 1HB TRP 80 2HB TRP 80 -3.511 -1.589 -13.937 665 2HB TRP 80 1HB TRP 80 -1.952 -2.206 -14.481 666 HD1 TRP 80 HD TRP 80 -4.923 -0.106 -15.738 667 HE1 TRP 80 1HE TRP 80 -4.084 1.441 -17.624 668 HE3 TRP 80 3HE TRP 80 -0.123 -1.793 -16.197 669 HZ2 TRP 80 2HZ TRP 80 -1.695 1.901 -19.126 670 HZ3 TRP 80 3HZ TRP 80 1.409 -0.784 -17.862 671 HH2 TRP 80 HH TRP 80 0.631 1.060 -19.326 672 H THR 81 H THR 81 -2.628 -3.745 -13.042 673 HA THR 81 HA THR 81 -1.078 -6.090 -13.784 674 HB THR 81 HB THR 81 -1.294 -6.094 -11.031 675 HG1 THR 81 1HG THR 81 -2.068 -4.265 -10.406 676 1HG2 THR 81 1HG2 THR 81 0.758 -5.988 -12.460 677 2HG2 THR 81 2HG2 THR 81 0.824 -4.922 -11.056 678 3HG2 THR 81 3HG2 THR 81 0.481 -4.257 -12.653 679 H THR 82 H THR 82 -1.416 -8.210 -12.537 680 HA THR 82 HA THR 82 -4.082 -9.235 -13.071 681 HB THR 82 HB THR 82 -1.928 -10.482 -13.324 682 HG1 THR 82 1HG THR 82 -2.923 -12.298 -12.860 683 1HG2 THR 82 1HG2 THR 82 -1.023 -9.514 -11.098 684 2HG2 THR 82 2HG2 THR 82 -0.655 -11.197 -11.468 685 3HG2 THR 82 3HG2 THR 82 -1.940 -10.807 -10.325 686 H VAL 83 H VAL 83 -2.392 -8.150 -10.148 687 HA VAL 83 HA VAL 83 -4.439 -9.226 -8.336 688 HB VAL 83 HB VAL 83 -3.073 -7.987 -6.637 689 1HG1 VAL 83 1HG1 VAL 83 -2.477 -10.287 -7.376 690 2HG1 VAL 83 2HG1 VAL 83 -1.062 -9.348 -6.901 691 3HG1 VAL 83 3HG1 VAL 83 -1.423 -9.595 -8.609 692 1HG2 VAL 83 1HG2 VAL 83 -2.327 -6.421 -8.841 693 2HG2 VAL 83 2HG2 VAL 83 -0.881 -7.350 -8.452 694 3HG2 VAL 83 3HG2 VAL 83 -1.638 -6.340 -7.220 695 H ILE 84 H ILE 84 -6.170 -8.098 -7.474 696 HA ILE 84 HA ILE 84 -6.596 -5.300 -8.476 697 HB ILE 84 HB ILE 84 -8.500 -7.502 -7.598 698 1HG1 ILE 84 2HG1 ILE 84 -7.420 -7.838 -9.816 699 2HG1 ILE 84 1HG1 ILE 84 -9.151 -7.545 -9.967 700 1HG2 ILE 84 1HG2 ILE 84 -10.225 -5.875 -8.598 701 2HG2 ILE 84 2HG2 ILE 84 -8.975 -4.642 -8.445 702 3HG2 ILE 84 3HG2 ILE 84 -9.576 -5.470 -7.009 703 1HD1 ILE 84 1HD1 ILE 84 -6.922 -5.540 -10.421 704 2HD1 ILE 84 2HD1 ILE 84 -8.635 -5.118 -10.393 705 3HD1 ILE 84 3HD1 ILE 84 -8.015 -6.205 -11.636 706 H GLU 85 H GLU 85 -5.871 -3.961 -6.825 707 HA GLU 85 HA GLU 85 -6.626 -4.630 -4.007 708 1HB GLU 85 2HB GLU 85 -4.459 -3.034 -5.362 709 2HB GLU 85 1HB GLU 85 -4.848 -2.724 -3.671 710 1HG GLU 85 2HG GLU 85 -4.370 -5.010 -3.063 711 2HG GLU 85 1HG GLU 85 -4.224 -5.485 -4.753 712 H ARG 86 H ARG 86 -8.223 -3.415 -3.062 713 HA ARG 86 HA ARG 86 -8.766 -0.665 -4.113 714 1HB ARG 86 2HB ARG 86 -10.260 -2.900 -4.738 715 2HB ARG 86 1HB ARG 86 -11.129 -2.257 -3.343 716 1HG ARG 86 2HG ARG 86 -12.111 -1.109 -5.148 717 2HG ARG 86 1HG ARG 86 -10.916 0.040 -4.548 718 1HD ARG 86 2HD ARG 86 -10.463 0.062 -6.854 719 2HD ARG 86 1HD ARG 86 -9.326 -1.181 -6.294 720 HE ARG 86 HE ARG 86 -11.947 -2.294 -6.878 721 1HH1 ARG 86 1HH2 ARG 86 -8.945 -1.234 -8.286 722 2HH1 ARG 86 2HH2 ARG 86 -9.070 -2.301 -9.642 723 1HH2 ARG 86 1HH1 ARG 86 -12.097 -3.674 -8.648 724 2HH2 ARG 86 2HH1 ARG 86 -10.849 -3.677 -9.850 725 H THR 87 H THR 87 -9.906 -2.963 -1.577 726 HA THR 87 HA THR 87 -9.839 -0.680 0.367 727 HB THR 87 HB THR 87 -11.426 -2.262 1.626 728 HG1 THR 87 1HG THR 87 -12.023 -4.049 0.660 729 1HG2 THR 87 1HG2 THR 87 -12.953 -0.877 0.746 730 2HG2 THR 87 2HG2 THR 87 -12.981 -1.841 -0.730 731 3HG2 THR 87 3HG2 THR 87 -11.850 -0.498 -0.575 732 H PHE 88 H PHE 88 -8.479 -0.828 2.113 733 HA PHE 88 HA PHE 88 -7.410 -3.480 2.918 734 1HB PHE 88 2HB PHE 88 -5.315 -3.084 2.125 735 2HB PHE 88 1HB PHE 88 -6.056 -1.820 1.153 736 HD1 PHE 88 1HD PHE 88 -4.530 -2.438 4.517 737 HD2 PHE 88 2HD PHE 88 -5.391 0.418 1.426 738 HE1 PHE 88 1HE PHE 88 -3.171 -0.742 5.705 739 HE2 PHE 88 2HE PHE 88 -4.030 2.114 2.618 740 HZ PHE 88 HZ PHE 88 -2.920 1.535 4.757 741 H HIS 89 H HIS 89 -6.954 -3.571 5.128 742 HA HIS 89 HA HIS 89 -7.736 -1.169 6.730 743 1HB HIS 89 2HB HIS 89 -7.529 -4.145 7.283 744 2HB HIS 89 1HB HIS 89 -7.920 -2.964 8.528 745 HD1 HIS 89 1HD HIS 89 -10.262 -4.304 8.642 746 HD2 HIS 89 2HD HIS 89 -9.594 -2.138 5.148 747 HE1 HIS 89 1HE HIS 89 -12.508 -4.077 7.501 748 H VAL 90 H VAL 90 -6.389 -0.544 8.565 749 HA VAL 90 HA VAL 90 -3.520 -1.350 8.240 750 HB VAL 90 HB VAL 90 -3.098 0.808 9.457 751 1HG1 VAL 90 1HG1 VAL 90 -3.996 2.276 7.561 752 2HG1 VAL 90 2HG1 VAL 90 -4.726 0.809 6.912 753 3HG1 VAL 90 3HG1 VAL 90 -2.975 0.920 7.086 754 1HG2 VAL 90 1HG2 VAL 90 -5.428 0.749 10.563 755 2HG2 VAL 90 2HG2 VAL 90 -6.037 1.389 9.036 756 3HG2 VAL 90 3HG2 VAL 90 -4.866 2.313 9.973 757 H ASP 91 H ASP 91 -2.278 -1.782 10.186 758 HA ASP 91 HA ASP 91 -3.565 -3.409 12.148 759 1HB ASP 91 2HB ASP 91 -1.111 -3.262 11.363 760 2HB ASP 91 1HB ASP 91 -0.952 -1.928 12.506 761 H SER 92 H SER 92 -2.776 0.055 12.150 762 HA SER 92 HA SER 92 -4.310 0.338 14.708 763 1HB SER 92 2HB SER 92 -1.662 0.304 14.705 764 2HB SER 92 1HB SER 92 -1.846 1.957 14.128 765 HG SER 92 HG SER 92 -2.137 2.416 16.151 766 HA PRO 93 HA PRO 93 -6.317 3.674 12.616 767 1HB PRO 93 2HB PRO 93 -6.770 5.416 14.690 768 2HB PRO 93 1HB PRO 93 -7.702 3.924 14.450 769 1HG PRO 93 2HG PRO 93 -5.401 4.439 16.280 770 2HG PRO 93 1HG PRO 93 -6.907 3.556 16.585 771 1HD PRO 93 2HD PRO 93 -4.594 2.285 16.065 772 2HD PRO 93 1HD PRO 93 -6.162 1.646 15.521 773 H ASP 94 H ASP 94 -3.665 4.595 14.835 774 HA ASP 94 HA ASP 94 -3.150 7.161 13.610 775 1HB ASP 94 2HB ASP 94 -1.211 7.150 15.012 776 2HB ASP 94 1HB ASP 94 -2.432 6.251 15.907 777 H GLU 95 H GLU 95 -2.149 3.842 12.911 778 HA GLU 95 HA GLU 95 0.006 4.322 11.103 779 1HB GLU 95 2HB GLU 95 -1.707 2.179 11.974 780 2HB GLU 95 1HB GLU 95 -1.609 2.131 10.215 781 1HG GLU 95 2HG GLU 95 0.313 0.966 10.619 782 2HG GLU 95 1HG GLU 95 1.002 2.575 10.835 783 H ARG 96 H ARG 96 -3.521 4.174 10.585 784 HA ARG 96 HA ARG 96 -3.650 4.467 7.773 785 1HB ARG 96 2HB ARG 96 -5.427 4.138 9.671 786 2HB ARG 96 1HB ARG 96 -5.490 5.901 9.680 787 1HG ARG 96 2HG ARG 96 -6.397 6.018 7.555 788 2HG ARG 96 1HG ARG 96 -5.649 4.507 7.042 789 1HD ARG 96 2HD ARG 96 -7.803 3.723 7.289 790 2HD ARG 96 1HD ARG 96 -7.304 3.563 8.982 791 HE ARG 96 HE ARG 96 -9.037 5.680 7.879 792 1HH1 ARG 96 1HH2 ARG 96 -7.115 4.497 10.537 793 2HH1 ARG 96 2HH2 ARG 96 -7.785 5.617 11.667 794 1HH2 ARG 96 1HH1 ARG 96 -9.920 7.105 9.371 795 2HH2 ARG 96 2HH1 ARG 96 -9.376 7.081 11.016 796 H GLU 97 H GLU 97 -3.314 6.961 10.313 797 HA GLU 97 HA GLU 97 -3.411 9.229 8.525 798 1HB GLU 97 2HB GLU 97 -2.698 8.611 11.342 799 2HB GLU 97 1HB GLU 97 -1.944 10.060 10.675 800 1HG GLU 97 2HG GLU 97 -4.207 10.832 9.926 801 2HG GLU 97 1HG GLU 97 -4.911 9.442 10.752 802 H GLU 98 H GLU 98 -0.724 7.292 9.878 803 HA GLU 98 HA GLU 98 1.443 8.796 8.784 804 1HB GLU 98 2HB GLU 98 1.250 6.790 10.496 805 2HB GLU 98 1HB GLU 98 1.500 5.802 9.056 806 1HG GLU 98 2HG GLU 98 3.686 6.376 8.912 807 2HG GLU 98 1HG GLU 98 3.345 8.080 9.216 808 H TRP 99 H TRP 99 -0.409 6.042 7.424 809 HA TRP 99 HA TRP 99 1.105 5.692 5.021 810 1HB TRP 99 2HB TRP 99 -1.851 5.323 5.614 811 2HB TRP 99 1HB TRP 99 -1.032 4.662 4.204 812 HD1 TRP 99 HD TRP 99 -2.256 3.476 7.266 813 HE1 TRP 99 1HE TRP 99 -0.911 1.502 8.217 814 HE3 TRP 99 3HE TRP 99 2.015 3.913 4.505 815 HZ2 TRP 99 2HZ TRP 99 1.637 0.266 7.856 816 HZ3 TRP 99 3HZ TRP 99 3.886 2.318 4.834 817 HH2 TRP 99 HH TRP 99 3.698 0.502 6.502 818 H MET 100 H MET 100 -1.783 7.702 5.683 819 HA MET 100 HA MET 100 -2.177 8.798 3.100 820 1HB MET 100 2HB MET 100 -3.610 8.938 5.208 821 2HB MET 100 1HB MET 100 -2.536 10.224 5.753 822 1HG MET 100 2HG MET 100 -3.962 11.601 4.640 823 2HG MET 100 1HG MET 100 -3.118 11.041 3.196 824 1HE MET 100 1HE MET 100 -5.304 12.136 2.403 825 2HE MET 100 2HE MET 100 -6.502 12.006 3.688 826 3HE MET 100 3HE MET 100 -6.806 11.244 2.129 827 H ARG 101 H ARG 101 -0.167 10.027 5.801 828 HA ARG 101 HA ARG 101 0.777 12.398 4.499 829 1HB ARG 101 2HB ARG 101 2.071 10.622 6.599 830 2HB ARG 101 1HB ARG 101 2.525 12.292 6.261 831 1HG ARG 101 2HG ARG 101 -0.352 11.731 6.855 832 2HG ARG 101 1HG ARG 101 0.786 11.679 8.198 833 1HD ARG 101 2HD ARG 101 0.642 13.933 8.299 834 2HD ARG 101 1HD ARG 101 1.456 14.003 6.725 835 HE ARG 101 HE ARG 101 -0.973 13.549 5.812 836 1HH1 ARG 101 1HH2 ARG 101 -0.147 15.453 8.616 837 2HH1 ARG 101 2HH2 ARG 101 -1.563 16.435 8.507 838 1HH2 ARG 101 1HH1 ARG 101 -2.806 14.851 5.685 839 2HH2 ARG 101 2HH1 ARG 101 -3.060 16.101 6.856 840 H ALA 102 H ALA 102 2.124 9.084 4.625 841 HA ALA 102 HA ALA 102 4.546 9.606 3.185 842 1HB ALA 102 1HB ALA 102 4.282 7.574 4.419 843 2HB ALA 102 2HB ALA 102 4.309 7.087 2.723 844 3HB ALA 102 3HB ALA 102 2.775 7.184 3.587 845 H ILE 103 H ILE 103 1.306 8.574 2.060 846 HA ILE 103 HA ILE 103 1.919 8.276 -0.716 847 HB ILE 103 HB ILE 103 -0.605 9.087 0.774 848 1HG1 ILE 103 2HG1 ILE 103 -0.033 6.408 -0.476 849 2HG1 ILE 103 1HG1 ILE 103 0.624 6.792 1.116 850 1HG2 ILE 103 1HG2 ILE 103 -0.206 8.221 -2.106 851 2HG2 ILE 103 2HG2 ILE 103 -0.876 9.750 -1.539 852 3HG2 ILE 103 3HG2 ILE 103 -1.773 8.252 -1.299 853 1HD1 ILE 103 1HD1 ILE 103 -2.308 6.998 0.370 854 2HD1 ILE 103 2HD1 ILE 103 -1.615 7.258 1.969 855 3HD1 ILE 103 3HD1 ILE 103 -1.590 5.649 1.249 856 H GLN 104 H GLN 104 0.897 11.122 1.177 857 HA GLN 104 HA GLN 104 0.623 12.946 -1.029 858 1HB GLN 104 2HB GLN 104 -0.352 13.327 1.174 859 2HB GLN 104 1HB GLN 104 1.244 13.316 1.921 860 1HG GLN 104 2HG GLN 104 0.613 15.622 1.681 861 2HG GLN 104 1HG GLN 104 1.829 15.301 0.445 862 1HE2 GLN 104 1HE2 GLN 104 1.066 15.078 -1.813 863 2HE2 GLN 104 2HE2 GLN 104 -0.450 15.689 -2.273 864 H MET 105 H MET 105 3.391 12.158 1.101 865 HA MET 105 HA MET 105 5.179 14.169 0.079 866 1HB MET 105 2HB MET 105 5.228 12.607 2.187 867 2HB MET 105 1HB MET 105 6.049 11.476 1.110 868 1HG MET 105 2HG MET 105 7.904 12.852 0.851 869 2HG MET 105 1HG MET 105 6.994 14.320 1.208 870 1HE MET 105 1HE MET 105 7.289 15.538 3.458 871 2HE MET 105 2HE MET 105 6.748 14.647 4.878 872 3HE MET 105 3HE MET 105 5.765 14.641 3.416 873 H VAL 106 H VAL 106 4.625 10.762 -0.856 874 HA VAL 106 HA VAL 106 6.730 10.593 -2.807 875 HB VAL 106 HB VAL 106 4.070 9.155 -2.503 876 1HG1 VAL 106 1HG1 VAL 106 4.554 7.924 -4.333 877 2HG1 VAL 106 2HG1 VAL 106 6.210 7.659 -3.786 878 3HG1 VAL 106 3HG1 VAL 106 5.807 9.106 -4.708 879 1HG2 VAL 106 1HG2 VAL 106 5.111 8.241 -0.716 880 2HG2 VAL 106 2HG2 VAL 106 6.628 9.046 -1.117 881 3HG2 VAL 106 3HG2 VAL 106 6.237 7.488 -1.846 882 H ALA 107 H ALA 107 3.302 11.573 -3.061 883 HA ALA 107 HA ALA 107 3.229 11.863 -5.923 884 1HB ALA 107 1HB ALA 107 1.675 12.811 -3.543 885 2HB ALA 107 2HB ALA 107 1.139 11.832 -4.910 886 3HB ALA 107 3HB ALA 107 1.350 13.573 -5.101 887 H ASN 108 H ASN 108 4.174 14.078 -3.297 888 HA ASN 108 HA ASN 108 4.382 16.498 -4.797 889 1HB ASN 108 2HB ASN 108 5.461 15.333 -2.274 890 2HB ASN 108 1HB ASN 108 6.304 16.746 -2.908 891 1HD2 ASN 108 1HD2 ASN 108 3.276 15.633 -1.484 892 2HD2 ASN 108 2HD2 ASN 108 2.578 17.171 -1.321 893 H SER 109 H SER 109 6.735 13.857 -4.287 894 HA SER 109 HA SER 109 8.810 15.203 -5.884 895 1HB SER 109 2HB SER 109 9.975 12.993 -5.450 896 2HB SER 109 1HB SER 109 9.452 13.837 -3.995 897 HG SER 109 HG SER 109 8.282 12.153 -3.570 898 H LEU 110 H LEU 110 6.316 12.746 -6.369 899 HA LEU 110 HA LEU 110 7.302 11.653 -8.847 900 1HB LEU 110 2HB LEU 110 4.891 11.606 -7.153 901 2HB LEU 110 1HB LEU 110 4.545 11.392 -8.865 902 HG LEU 110 HG LEU 110 5.894 9.449 -9.016 903 1HD1 LEU 110 1HD1 LEU 110 7.176 10.554 -6.549 904 2HD1 LEU 110 2HD1 LEU 110 7.924 9.833 -7.974 905 3HD1 LEU 110 3HD1 LEU 110 7.168 8.803 -6.759 906 1HD2 LEU 110 1HD2 LEU 110 4.703 9.334 -6.234 907 2HD2 LEU 110 2HD2 LEU 110 4.972 7.980 -7.332 908 3HD2 LEU 110 3HD2 LEU 110 3.755 9.199 -7.714 909 H LYS 111 H LYS 111 5.042 14.311 -8.094 910 HA LYS 111 HA LYS 111 4.289 16.120 -9.389 911 1HB LYS 111 2HB LYS 111 6.566 15.273 -11.215 912 2HB LYS 111 1HB LYS 111 5.809 16.863 -11.154 913 1HG LYS 111 2HG LYS 111 6.575 17.152 -8.830 914 2HG LYS 111 1HG LYS 111 7.317 15.553 -8.869 915 1HD LYS 111 2HD LYS 111 8.058 17.539 -10.990 916 2HD LYS 111 1HD LYS 111 8.769 17.702 -9.383 917 1HE LYS 111 2HE LYS 111 9.736 15.497 -9.492 918 2HE LYS 111 1HE LYS 111 8.817 15.105 -10.959 919 1HZ LYS 111 1HZ LYS 111 11.103 15.831 -11.460 920 2HZ LYS 111 2HZ LYS 111 10.781 17.330 -10.728 921 3HZ LYS 111 3HZ LYS 111 9.941 16.869 -12.133 Start of MODEL 10 1 1H MET 1 1H MET 1 19.636 -1.447 -9.835 2 2H MET 1 2H MET 1 18.597 -2.378 -8.866 3 3H MET 1 3H MET 1 20.201 -2.876 -9.117 4 HA MET 1 HA MET 1 20.002 -1.916 -6.914 5 1HB MET 1 2HB MET 1 21.560 -0.698 -9.153 6 2HB MET 1 1HB MET 1 21.610 0.138 -7.601 7 1HG MET 1 2HG MET 1 22.066 -2.837 -7.760 8 2HG MET 1 1HG MET 1 23.386 -1.704 -8.052 9 1HE MET 1 1HE MET 1 23.700 -3.276 -4.396 10 2HE MET 1 2HE MET 1 24.477 -3.156 -5.974 11 3HE MET 1 3HE MET 1 22.939 -4.002 -5.819 12 H ASN 2 H ASN 2 19.650 0.769 -9.277 13 HA ASN 2 HA ASN 2 18.309 2.701 -9.238 14 1HB ASN 2 2HB ASN 2 16.646 0.859 -7.483 15 2HB ASN 2 1HB ASN 2 16.066 2.363 -8.195 16 1HD2 ASN 2 1HD2 ASN 2 15.874 2.446 -10.585 17 2HD2 ASN 2 2HD2 ASN 2 15.776 1.010 -11.485 18 H GLU 3 H GLU 3 17.086 4.193 -7.468 19 HA GLU 3 HA GLU 3 18.671 4.214 -4.929 20 1HB GLU 3 2HB GLU 3 19.121 6.609 -5.303 21 2HB GLU 3 1HB GLU 3 19.736 5.657 -6.653 22 1HG GLU 3 2HG GLU 3 16.948 6.474 -7.039 23 2HG GLU 3 1HG GLU 3 18.037 7.849 -6.858 24 H VAL 4 H VAL 4 15.952 3.381 -5.246 25 HA VAL 4 HA VAL 4 14.263 5.670 -4.402 26 HB VAL 4 HB VAL 4 13.751 2.744 -5.016 27 1HG1 VAL 4 1HG1 VAL 4 12.162 3.649 -3.309 28 2HG1 VAL 4 2HG1 VAL 4 11.372 3.253 -4.834 29 3HG1 VAL 4 3HG1 VAL 4 11.732 4.933 -4.439 30 1HG2 VAL 4 1HG2 VAL 4 13.439 3.426 -7.148 31 2HG2 VAL 4 2HG2 VAL 4 14.142 4.973 -6.676 32 3HG2 VAL 4 3HG2 VAL 4 12.393 4.750 -6.633 33 H SER 5 H SER 5 14.193 6.154 -2.253 34 HA SER 5 HA SER 5 14.961 4.131 -0.229 35 1HB SER 5 2HB SER 5 14.511 7.098 -0.359 36 2HB SER 5 1HB SER 5 14.478 6.301 1.211 37 HG SER 5 HG SER 5 16.584 7.102 0.310 38 H VAL 6 H VAL 6 13.538 3.798 1.680 39 HA VAL 6 HA VAL 6 10.712 3.519 0.864 40 HB VAL 6 HB VAL 6 12.329 2.684 3.292 41 1HG1 VAL 6 1HG1 VAL 6 10.253 1.155 3.607 42 2HG1 VAL 6 2HG1 VAL 6 9.415 2.333 2.599 43 3HG1 VAL 6 3HG1 VAL 6 10.130 2.833 4.131 44 1HG2 VAL 6 1HG2 VAL 6 11.259 1.224 0.858 45 2HG2 VAL 6 2HG2 VAL 6 11.916 0.402 2.273 46 3HG2 VAL 6 3HG2 VAL 6 12.950 1.453 1.306 47 H ILE 7 H ILE 7 9.014 4.701 1.743 48 HA ILE 7 HA ILE 7 9.743 7.073 3.385 49 HB ILE 7 HB ILE 7 7.582 6.265 1.479 50 1HG1 ILE 7 2HG1 ILE 7 7.952 8.619 0.729 51 2HG1 ILE 7 1HG1 ILE 7 9.124 8.821 2.031 52 1HG2 ILE 7 1HG2 ILE 7 6.219 8.256 2.271 53 2HG2 ILE 7 2HG2 ILE 7 7.199 8.249 3.738 54 3HG2 ILE 7 3HG2 ILE 7 6.186 6.860 3.347 55 1HD1 ILE 7 1HD1 ILE 7 9.406 6.561 0.061 56 2HD1 ILE 7 2HD1 ILE 7 10.646 7.313 1.065 57 3HD1 ILE 7 3HD1 ILE 7 10.002 8.173 -0.332 58 H LYS 8 H LYS 8 7.534 4.245 3.447 59 HA LYS 8 HA LYS 8 7.484 4.422 6.404 60 1HB LYS 8 2HB LYS 8 5.612 5.811 5.032 61 2HB LYS 8 1HB LYS 8 4.809 4.243 5.110 62 1HG LYS 8 2HG LYS 8 6.052 5.115 7.647 63 2HG LYS 8 1HG LYS 8 4.708 6.120 7.104 64 1HD LYS 8 2HD LYS 8 3.176 4.350 7.184 65 2HD LYS 8 1HD LYS 8 4.440 3.125 7.081 66 1HE LYS 8 2HE LYS 8 5.213 4.163 9.398 67 2HE LYS 8 1HE LYS 8 3.522 4.694 9.471 68 1HZ LYS 8 1HZ LYS 8 2.824 2.431 8.973 69 2HZ LYS 8 2HZ LYS 8 3.766 2.466 10.388 70 3HZ LYS 8 3HZ LYS 8 4.441 1.919 8.927 71 H GLU 9 H GLU 9 7.259 2.419 7.317 72 HA GLU 9 HA GLU 9 6.383 0.130 5.580 73 1HB GLU 9 2HB GLU 9 8.773 0.502 7.395 74 2HB GLU 9 1HB GLU 9 8.180 -1.111 6.998 75 1HG GLU 9 2HG GLU 9 8.332 -0.452 4.553 76 2HG GLU 9 1HG GLU 9 9.176 1.004 5.078 77 H GLY 10 H GLY 10 4.846 -1.170 6.583 78 1HA GLY 10 2HA GLY 10 4.715 -1.498 9.455 79 2HA GLY 10 1HA GLY 10 3.472 -0.389 8.889 80 H TRP 11 H TRP 11 2.680 -2.722 10.083 81 HA TRP 11 HA TRP 11 2.081 -4.730 7.986 82 1HB TRP 11 2HB TRP 11 1.818 -4.445 10.965 83 2HB TRP 11 1HB TRP 11 0.814 -5.639 10.143 84 HD1 TRP 11 HD TRP 11 4.467 -4.791 10.898 85 HE1 TRP 11 1HE TRP 11 5.914 -6.890 10.451 86 HE3 TRP 11 3HE TRP 11 0.964 -7.852 8.785 87 HZ2 TRP 11 2HZ TRP 11 5.618 -9.495 9.330 88 HZ3 TRP 11 3HZ TRP 11 1.577 -10.134 8.039 89 HH2 TRP 11 HH TRP 11 3.901 -10.957 8.311 90 H LEU 12 H LEU 12 0.051 -4.933 7.027 91 HA LEU 12 HA LEU 12 -2.119 -3.084 7.979 92 1HB LEU 12 2HB LEU 12 -1.168 -3.784 5.184 93 2HB LEU 12 1HB LEU 12 -2.670 -2.919 5.502 94 HG LEU 12 HG LEU 12 0.115 -2.010 6.298 95 1HD1 LEU 12 1HD1 LEU 12 -1.421 -1.718 3.892 96 2HD1 LEU 12 2HD1 LEU 12 0.163 -1.042 4.269 97 3HD1 LEU 12 3HD1 LEU 12 -1.298 -0.142 4.674 98 1HD2 LEU 12 1HD2 LEU 12 -2.590 -1.209 7.155 99 2HD2 LEU 12 2HD2 LEU 12 -1.601 0.132 6.580 100 3HD2 LEU 12 3HD2 LEU 12 -1.031 -0.878 7.908 101 H HIS 13 H HIS 13 -4.289 -3.895 7.679 102 HA HIS 13 HA HIS 13 -4.432 -6.878 7.496 103 1HB HIS 13 2HB HIS 13 -5.890 -4.676 8.850 104 2HB HIS 13 1HB HIS 13 -6.901 -6.002 8.275 105 HD1 HIS 13 1HD HIS 13 -6.949 -8.066 9.694 106 HD2 HIS 13 2HD HIS 13 -3.664 -5.656 10.578 107 HE1 HIS 13 1HE HIS 13 -5.794 -9.128 11.683 108 H LYS 14 H LYS 14 -4.814 -7.544 5.393 109 HA LYS 14 HA LYS 14 -6.854 -6.009 3.806 110 1HB LYS 14 2HB LYS 14 -4.184 -6.213 3.301 111 2HB LYS 14 1HB LYS 14 -4.790 -7.604 2.400 112 1HG LYS 14 2HG LYS 14 -6.608 -5.847 1.577 113 2HG LYS 14 1HG LYS 14 -5.341 -4.691 1.987 114 1HD LYS 14 2HD LYS 14 -3.994 -5.359 0.273 115 2HD LYS 14 1HD LYS 14 -4.437 -7.055 0.453 116 1HE LYS 14 2HE LYS 14 -5.638 -6.735 -1.466 117 2HE LYS 14 1HE LYS 14 -6.810 -5.916 -0.415 118 1HZ LYS 14 1HZ LYS 14 -5.865 -3.839 -0.848 119 2HZ LYS 14 2HZ LYS 14 -5.875 -4.593 -2.371 120 3HZ LYS 14 3HZ LYS 14 -4.435 -4.502 -1.477 121 H ARG 15 H ARG 15 -8.434 -7.224 2.766 122 HA ARG 15 HA ARG 15 -8.780 -10.017 3.591 123 1HB ARG 15 2HB ARG 15 -10.943 -9.757 2.508 124 2HB ARG 15 1HB ARG 15 -10.599 -8.288 3.417 125 1HG ARG 15 2HG ARG 15 -9.633 -7.351 1.227 126 2HG ARG 15 1HG ARG 15 -10.414 -8.718 0.433 127 1HD ARG 15 2HD ARG 15 -12.411 -7.694 2.101 128 2HD ARG 15 1HD ARG 15 -11.610 -6.255 1.441 129 HE ARG 15 HE ARG 15 -12.068 -8.311 -0.578 130 1HH1 ARG 15 1HH2 ARG 15 -13.460 -5.653 1.173 131 2HH1 ARG 15 2HH2 ARG 15 -14.573 -5.242 -0.084 132 1HH2 ARG 15 1HH1 ARG 15 -13.511 -7.773 -2.223 133 2HH2 ARG 15 2HH1 ARG 15 -14.602 -6.444 -2.013 134 H GLY 16 H GLY 16 -8.711 -11.846 2.182 135 1HA GLY 16 2HA GLY 16 -8.050 -11.446 -0.665 136 2HA GLY 16 1HA GLY 16 -6.775 -12.179 0.303 137 H GLU 17 H GLU 17 -8.123 -13.924 1.942 138 HA GLU 17 HA GLU 17 -8.619 -16.176 0.276 139 1HB GLU 17 2HB GLU 17 -8.890 -15.418 3.131 140 2HB GLU 17 1HB GLU 17 -9.850 -16.806 2.620 141 1HG GLU 17 2HG GLU 17 -8.011 -18.100 2.642 142 2HG GLU 17 1HG GLU 17 -7.257 -17.052 1.439 143 H TYR 18 H TYR 18 -10.577 -17.315 -0.176 144 HA TYR 18 HA TYR 18 -12.815 -15.743 -1.031 145 1HB TYR 18 2HB TYR 18 -13.765 -17.907 -1.591 146 2HB TYR 18 1HB TYR 18 -12.032 -17.980 -1.900 147 HD1 TYR 18 1HD TYR 18 -10.593 -19.435 -0.630 148 HD2 TYR 18 2HD TYR 18 -14.718 -18.958 0.471 149 HE1 TYR 18 1HE TYR 18 -10.399 -21.353 0.928 150 HE2 TYR 18 2HE TYR 18 -14.524 -20.877 2.029 151 HH TYR 18 HH TYR 18 -12.683 -23.084 2.003 152 H ILE 19 H ILE 19 -12.035 -17.026 2.101 153 HA ILE 19 HA ILE 19 -14.759 -17.260 3.103 154 HB ILE 19 HB ILE 19 -12.778 -18.504 3.952 155 1HG1 ILE 19 2HG1 ILE 19 -13.656 -16.782 6.244 156 2HG1 ILE 19 1HG1 ILE 19 -14.876 -17.716 5.377 157 1HG2 ILE 19 1HG2 ILE 19 -11.560 -16.707 5.699 158 2HG2 ILE 19 2HG2 ILE 19 -11.737 -15.785 4.207 159 3HG2 ILE 19 3HG2 ILE 19 -10.871 -17.322 4.197 160 1HD1 ILE 19 1HD1 ILE 19 -12.405 -18.775 6.771 161 2HD1 ILE 19 2HD1 ILE 19 -13.405 -19.753 5.697 162 3HD1 ILE 19 3HD1 ILE 19 -14.088 -19.096 7.185 163 H LYS 20 H LYS 20 -13.113 -14.529 2.159 164 HA LYS 20 HA LYS 20 -13.414 -12.241 2.582 165 1HB LYS 20 2HB LYS 20 -15.818 -13.360 2.620 166 2HB LYS 20 1HB LYS 20 -15.751 -12.944 4.333 167 1HG LYS 20 2HG LYS 20 -16.131 -10.767 3.894 168 2HG LYS 20 1HG LYS 20 -14.833 -10.725 2.701 169 1HD LYS 20 2HD LYS 20 -16.446 -10.505 1.134 170 2HD LYS 20 1HD LYS 20 -16.836 -12.197 1.441 171 1HE LYS 20 2HE LYS 20 -18.916 -11.304 1.903 172 2HE LYS 20 1HE LYS 20 -18.187 -11.035 3.497 173 1HZ LYS 20 1HZ LYS 20 -18.094 -9.108 1.230 174 2HZ LYS 20 2HZ LYS 20 -17.454 -8.860 2.785 175 3HZ LYS 20 3HZ LYS 20 -19.132 -8.983 2.565 176 H THR 21 H THR 21 -11.387 -12.829 4.017 177 HA THR 21 HA THR 21 -11.955 -11.846 6.790 178 HB THR 21 HB THR 21 -9.915 -13.971 6.086 179 HG1 THR 21 1HG THR 21 -12.631 -14.214 6.855 180 1HG2 THR 21 1HG2 THR 21 -11.269 -13.363 8.719 181 2HG2 THR 21 2HG2 THR 21 -9.742 -12.626 8.234 182 3HG2 THR 21 3HG2 THR 21 -9.850 -14.374 8.444 183 H TRP 22 H TRP 22 -10.501 -10.285 7.468 184 HA TRP 22 HA TRP 22 -8.517 -9.316 5.488 185 1HB TRP 22 2HB TRP 22 -9.559 -8.243 8.134 186 2HB TRP 22 1HB TRP 22 -8.444 -7.375 7.081 187 HD1 TRP 22 HD TRP 22 -12.014 -8.831 7.052 188 HE1 TRP 22 1HE TRP 22 -13.434 -7.474 5.383 189 HE3 TRP 22 3HE TRP 22 -8.415 -5.773 5.111 190 HZ2 TRP 22 2HZ TRP 22 -13.091 -5.373 3.481 191 HZ3 TRP 22 3HZ TRP 22 -8.989 -4.105 3.371 192 HH2 TRP 22 HH TRP 22 -11.322 -3.902 2.554 193 H ARG 23 H ARG 23 -6.529 -10.295 5.620 194 HA ARG 23 HA ARG 23 -5.495 -11.158 8.285 195 1HB ARG 23 2HB ARG 23 -5.044 -11.879 5.407 196 2HB ARG 23 1HB ARG 23 -3.765 -12.214 6.575 197 1HG ARG 23 2HG ARG 23 -6.486 -13.004 7.435 198 2HG ARG 23 1HG ARG 23 -5.837 -13.915 6.073 199 1HD ARG 23 2HD ARG 23 -3.981 -13.461 8.366 200 2HD ARG 23 1HD ARG 23 -5.304 -14.613 8.622 201 HE ARG 23 HE ARG 23 -3.105 -14.907 6.677 202 1HH1 ARG 23 1HH2 ARG 23 -6.262 -15.926 7.745 203 2HH1 ARG 23 2HH2 ARG 23 -6.181 -17.439 6.913 204 1HH2 ARG 23 1HH1 ARG 23 -3.017 -16.888 5.608 205 2HH2 ARG 23 2HH1 ARG 23 -4.352 -17.985 5.713 206 HA PRO 24 HA PRO 24 -2.580 -7.857 8.326 207 1HB PRO 24 2HB PRO 24 -0.665 -8.959 9.936 208 2HB PRO 24 1HB PRO 24 -2.226 -8.375 10.544 209 1HG PRO 24 2HG PRO 24 -1.334 -11.152 9.982 210 2HG PRO 24 1HG PRO 24 -2.370 -10.538 11.278 211 1HD PRO 24 2HD PRO 24 -3.300 -11.815 9.041 212 2HD PRO 24 1HD PRO 24 -4.255 -10.667 10.004 213 H ARG 25 H ARG 25 -0.954 -7.241 6.960 214 HA ARG 25 HA ARG 25 1.011 -9.261 5.967 215 1HB ARG 25 2HB ARG 25 -1.073 -7.716 4.481 216 2HB ARG 25 1HB ARG 25 0.501 -7.899 3.700 217 1HG ARG 25 2HG ARG 25 0.320 -10.395 4.258 218 2HG ARG 25 1HG ARG 25 -1.374 -10.081 4.632 219 1HD ARG 25 2HD ARG 25 -1.385 -8.932 2.248 220 2HD ARG 25 1HD ARG 25 0.025 -9.976 1.976 221 HE ARG 25 HE ARG 25 -2.102 -11.463 3.243 222 1HH1 ARG 25 1HH2 ARG 25 -1.079 -10.117 0.202 223 2HH1 ARG 25 2HH2 ARG 25 -1.961 -11.271 -0.739 224 1HH2 ARG 25 1HH1 ARG 25 -3.249 -12.957 2.006 225 2HH2 ARG 25 2HH1 ARG 25 -3.189 -12.869 0.277 226 H TYR 26 H TYR 26 3.060 -8.337 5.604 227 HA TYR 26 HA TYR 26 3.572 -5.718 6.770 228 1HB TYR 26 2HB TYR 26 5.035 -7.800 6.814 229 2HB TYR 26 1HB TYR 26 5.399 -7.490 5.119 230 HD1 TYR 26 1HD TYR 26 4.888 -4.892 7.741 231 HD2 TYR 26 2HD TYR 26 7.727 -6.986 5.287 232 HE1 TYR 26 1HE TYR 26 6.651 -3.282 8.405 233 HE2 TYR 26 2HE TYR 26 9.489 -5.376 5.955 234 HH TYR 26 HH TYR 26 9.449 -2.858 6.800 235 H PHE 27 H PHE 27 3.178 -3.852 5.667 236 HA PHE 27 HA PHE 27 3.422 -3.849 2.678 237 1HB PHE 27 2HB PHE 27 1.628 -2.630 4.705 238 2HB PHE 27 1HB PHE 27 2.035 -1.602 3.334 239 HD1 PHE 27 1HD PHE 27 0.598 -1.705 1.517 240 HD2 PHE 27 2HD PHE 27 1.142 -5.207 3.944 241 HE1 PHE 27 1HE PHE 27 -1.039 -2.932 0.115 242 HE2 PHE 27 2HE PHE 27 -0.492 -6.434 2.540 243 HZ PHE 27 HZ PHE 27 -1.583 -5.295 0.628 244 H LEU 28 H LEU 28 4.930 -2.489 1.754 245 HA LEU 28 HA LEU 28 6.291 -0.481 3.532 246 1HB LEU 28 2HB LEU 28 7.676 -1.887 1.257 247 2HB LEU 28 1HB LEU 28 8.372 -1.205 2.723 248 HG LEU 28 HG LEU 28 6.637 -3.694 2.612 249 1HD1 LEU 28 1HD1 LEU 28 9.509 -3.711 3.435 250 2HD1 LEU 28 2HD1 LEU 28 9.150 -3.597 1.711 251 3HD1 LEU 28 3HD1 LEU 28 8.559 -4.970 2.645 252 1HD2 LEU 28 1HD2 LEU 28 6.571 -3.623 4.872 253 2HD2 LEU 28 2HD2 LEU 28 7.119 -1.953 4.741 254 3HD2 LEU 28 3HD2 LEU 28 8.289 -3.249 4.977 255 H LEU 29 H LEU 29 6.101 1.569 2.731 256 HA LEU 29 HA LEU 29 5.328 1.937 -0.133 257 1HB LEU 29 2HB LEU 29 4.057 2.889 1.900 258 2HB LEU 29 1HB LEU 29 5.419 3.987 2.101 259 HG LEU 29 HG LEU 29 3.371 4.800 0.717 260 1HD1 LEU 29 1HD1 LEU 29 6.220 5.211 0.438 261 2HD1 LEU 29 2HD1 LEU 29 4.909 6.380 0.296 262 3HD1 LEU 29 3HD1 LEU 29 5.413 5.445 -1.112 263 1HD2 LEU 29 1HD2 LEU 29 3.189 4.100 -1.530 264 2HD2 LEU 29 2HD2 LEU 29 3.457 2.594 -0.655 265 3HD2 LEU 29 3HD2 LEU 29 4.788 3.356 -1.523 266 H LYS 30 H LYS 30 6.913 2.579 -1.549 267 HA LYS 30 HA LYS 30 9.505 3.562 -0.448 268 1HB LYS 30 2HB LYS 30 8.570 2.299 -3.026 269 2HB LYS 30 1HB LYS 30 10.172 3.022 -2.886 270 1HG LYS 30 2HG LYS 30 9.748 1.384 -0.582 271 2HG LYS 30 1HG LYS 30 9.322 0.436 -2.007 272 1HD LYS 30 2HD LYS 30 11.852 2.060 -2.015 273 2HD LYS 30 1HD LYS 30 11.824 0.502 -1.191 274 1HE LYS 30 2HE LYS 30 10.654 0.563 -3.938 275 2HE LYS 30 1HE LYS 30 12.418 0.706 -3.813 276 1HZ LYS 30 1HZ LYS 30 12.420 -1.225 -2.333 277 2HZ LYS 30 2HZ LYS 30 11.771 -1.618 -3.852 278 3HZ LYS 30 3HZ LYS 30 10.742 -1.387 -2.522 279 H SER 31 H SER 31 10.663 5.164 -1.966 280 HA SER 31 HA SER 31 9.052 7.585 -2.220 281 1HB SER 31 2HB SER 31 11.657 6.987 -1.727 282 2HB SER 31 1HB SER 31 11.755 7.382 -3.439 283 HG SER 31 HG SER 31 11.918 9.137 -1.746 284 H ASP 32 H ASP 32 9.522 4.941 -4.316 285 HA ASP 32 HA ASP 32 9.511 6.471 -6.833 286 1HB ASP 32 2HB ASP 32 10.640 4.217 -6.291 287 2HB ASP 32 1HB ASP 32 9.027 3.515 -6.403 288 H GLY 33 H GLY 33 7.136 5.803 -4.571 289 1HA GLY 33 2HA GLY 33 4.802 6.122 -4.750 290 2HA GLY 33 1HA GLY 33 4.994 6.307 -6.496 291 H SER 34 H SER 34 6.126 3.612 -4.487 292 HA SER 34 HA SER 34 4.132 1.821 -5.825 293 1HB SER 34 2HB SER 34 6.921 0.850 -5.392 294 2HB SER 34 1HB SER 34 5.802 0.492 -6.702 295 HG SER 34 HG SER 34 7.236 1.820 -7.637 296 H PHE 35 H PHE 35 3.335 0.225 -4.462 297 HA PHE 35 HA PHE 35 4.268 0.295 -1.624 298 1HB PHE 35 2HB PHE 35 1.761 0.347 -2.944 299 2HB PHE 35 1HB PHE 35 1.854 -1.219 -2.139 300 HD1 PHE 35 1HD PHE 35 0.670 1.955 -1.680 301 HD2 PHE 35 2HD PHE 35 3.181 -0.909 0.306 302 HE1 PHE 35 1HE PHE 35 0.192 3.044 0.494 303 HE2 PHE 35 2HE PHE 35 2.704 0.181 2.481 304 HZ PHE 35 HZ PHE 35 1.208 2.158 2.576 305 H ILE 36 H ILE 36 5.100 -1.541 -0.672 306 HA ILE 36 HA ILE 36 5.379 -3.986 -2.389 307 HB ILE 36 HB ILE 36 6.880 -3.039 0.087 308 1HG1 ILE 36 2HG1 ILE 36 7.273 -1.543 -1.822 309 2HG1 ILE 36 1HG1 ILE 36 8.711 -2.518 -1.517 310 1HG2 ILE 36 1HG2 ILE 36 7.236 -5.340 0.043 311 2HG2 ILE 36 2HG2 ILE 36 8.571 -4.761 -0.953 312 3HG2 ILE 36 3HG2 ILE 36 7.127 -5.426 -1.715 313 1HD1 ILE 36 1HD1 ILE 36 6.653 -2.872 -3.704 314 2HD1 ILE 36 2HD1 ILE 36 7.797 -4.145 -3.277 315 3HD1 ILE 36 3HD1 ILE 36 8.385 -2.594 -3.877 316 H GLY 37 H GLY 37 4.097 -5.693 -1.804 317 1HA GLY 37 2HA GLY 37 2.913 -5.693 0.938 318 2HA GLY 37 1HA GLY 37 2.178 -6.459 -0.468 319 H TYR 38 H TYR 38 3.790 -7.123 2.317 320 HA TYR 38 HA TYR 38 5.100 -9.601 1.242 321 1HB TYR 38 2HB TYR 38 5.914 -7.540 3.012 322 2HB TYR 38 1HB TYR 38 5.643 -8.961 4.017 323 HD1 TYR 38 1HD TYR 38 7.719 -7.456 1.407 324 HD2 TYR 38 2HD TYR 38 6.890 -11.066 3.587 325 HE1 TYR 38 1HE TYR 38 9.885 -8.406 0.662 326 HE2 TYR 38 2HE TYR 38 9.055 -12.014 2.839 327 HH TYR 38 HH TYR 38 10.724 -11.063 0.371 328 H LYS 39 H LYS 39 4.077 -11.520 1.761 329 HA LYS 39 HA LYS 39 1.590 -11.587 3.224 330 1HB LYS 39 2HB LYS 39 3.554 -13.654 2.209 331 2HB LYS 39 1HB LYS 39 2.065 -14.115 3.033 332 1HG LYS 39 2HG LYS 39 1.123 -12.290 1.224 333 2HG LYS 39 1HG LYS 39 2.451 -13.014 0.319 334 1HD LYS 39 2HD LYS 39 0.261 -14.586 1.713 335 2HD LYS 39 1HD LYS 39 0.287 -14.221 -0.012 336 1HE LYS 39 2HE LYS 39 2.727 -15.305 0.154 337 2HE LYS 39 1HE LYS 39 1.993 -16.130 1.542 338 1HZ LYS 39 1HZ LYS 39 1.391 -17.468 -0.244 339 2HZ LYS 39 2HZ LYS 39 1.136 -16.153 -1.288 340 3HZ LYS 39 3HZ LYS 39 0.022 -16.487 -0.048 341 H GLU 40 H GLU 40 4.947 -12.049 4.165 342 HA GLU 40 HA GLU 40 4.105 -12.278 7.015 343 1HB GLU 40 2HB GLU 40 4.948 -14.421 5.371 344 2HB GLU 40 1HB GLU 40 6.329 -14.041 6.400 345 1HG GLU 40 2HG GLU 40 3.800 -14.011 7.874 346 2HG GLU 40 1HG GLU 40 4.132 -15.578 7.136 347 H ARG 41 H ARG 41 6.831 -12.767 7.904 348 HA ARG 41 HA ARG 41 7.919 -10.046 7.561 349 1HB ARG 41 2HB ARG 41 8.142 -12.329 9.411 350 2HB ARG 41 1HB ARG 41 9.678 -11.504 9.127 351 1HG ARG 41 2HG ARG 41 8.956 -9.530 10.071 352 2HG ARG 41 1HG ARG 41 7.286 -9.780 9.571 353 1HD ARG 41 2HD ARG 41 7.725 -11.858 11.372 354 2HD ARG 41 1HD ARG 41 8.577 -10.484 12.095 355 HE ARG 41 HE ARG 41 6.508 -9.228 12.094 356 1HH1 ARG 41 1HH2 ARG 41 6.170 -12.459 10.824 357 2HH1 ARG 41 2HH2 ARG 41 4.463 -12.504 11.088 358 1HH2 ARG 41 1HH1 ARG 41 4.283 -9.309 12.421 359 2HH2 ARG 41 2HH1 ARG 41 3.396 -10.731 11.981 360 HA PRO 42 HA PRO 42 10.687 -11.302 4.343 361 1HB PRO 42 2HB PRO 42 12.421 -9.186 4.466 362 2HB PRO 42 1HB PRO 42 10.802 -9.074 3.748 363 1HG PRO 42 2HG PRO 42 11.741 -8.213 6.439 364 2HG PRO 42 1HG PRO 42 10.609 -7.421 5.331 365 1HD PRO 42 2HD PRO 42 9.817 -8.850 7.506 366 2HD PRO 42 1HD PRO 42 8.831 -8.682 6.037 367 H GLU 43 H GLU 43 12.783 -12.245 4.141 368 HA GLU 43 HA GLU 43 14.564 -12.209 6.531 369 1HB GLU 43 2HB GLU 43 12.705 -14.249 5.903 370 2HB GLU 43 1HB GLU 43 14.290 -14.890 5.467 371 1HG GLU 43 2HG GLU 43 15.139 -14.234 7.717 372 2HG GLU 43 1HG GLU 43 13.513 -13.704 8.149 373 H ALA 44 H ALA 44 14.196 -13.844 3.349 374 HA ALA 44 HA ALA 44 15.671 -14.005 1.516 375 1HB ALA 44 1HB ALA 44 16.716 -12.022 1.029 376 2HB ALA 44 2HB ALA 44 17.486 -11.925 2.612 377 3HB ALA 44 3HB ALA 44 15.802 -11.439 2.419 378 HA PRO 45 HA PRO 45 19.061 -16.474 2.852 379 1HB PRO 45 2HB PRO 45 20.899 -16.131 0.848 380 2HB PRO 45 1HB PRO 45 19.412 -17.078 0.645 381 1HG PRO 45 2HG PRO 45 20.025 -14.307 -0.239 382 2HG PRO 45 1HG PRO 45 19.085 -15.569 -1.048 383 1HD PRO 45 2HD PRO 45 17.969 -13.464 0.299 384 2HD PRO 45 1HD PRO 45 17.164 -15.031 0.065 385 H ASP 46 H ASP 46 20.151 -13.283 1.635 386 HA ASP 46 HA ASP 46 22.031 -13.111 3.969 387 1HB ASP 46 2HB ASP 46 22.322 -12.349 1.050 388 2HB ASP 46 1HB ASP 46 23.386 -11.684 2.290 389 H GLN 47 H GLN 47 20.689 -10.958 1.427 390 HA GLN 47 HA GLN 47 19.188 -9.367 3.362 391 1HB GLN 47 2HB GLN 47 21.837 -8.855 3.339 392 2HB GLN 47 1HB GLN 47 21.343 -7.808 2.009 393 1HG GLN 47 2HG GLN 47 21.153 -6.441 3.940 394 2HG GLN 47 1HG GLN 47 19.501 -6.953 3.595 395 1HE2 GLN 47 1HE2 GLN 47 18.507 -8.529 5.050 396 2HE2 GLN 47 2HE2 GLN 47 19.204 -8.913 6.548 397 H THR 48 H THR 48 18.599 -10.729 0.878 398 HA THR 48 HA THR 48 17.782 -8.402 -0.821 399 HB THR 48 HB THR 48 19.699 -9.782 -1.686 400 HG1 THR 48 1HG THR 48 18.591 -8.822 -3.268 401 1HG2 THR 48 1HG2 THR 48 18.239 -11.923 -0.754 402 2HG2 THR 48 2HG2 THR 48 19.606 -12.035 -1.861 403 3HG2 THR 48 3HG2 THR 48 17.960 -12.004 -2.494 404 H LEU 49 H LEU 49 16.044 -9.069 1.029 405 HA LEU 49 HA LEU 49 14.291 -11.290 0.561 406 1HB LEU 49 2HB LEU 49 12.737 -9.922 2.004 407 2HB LEU 49 1HB LEU 49 14.353 -10.103 2.677 408 HG LEU 49 HG LEU 49 14.425 -7.791 1.030 409 1HD1 LEU 49 1HD1 LEU 49 12.355 -7.192 3.046 410 2HD1 LEU 49 2HD1 LEU 49 11.794 -8.183 1.699 411 3HD1 LEU 49 3HD1 LEU 49 12.519 -6.606 1.390 412 1HD2 LEU 49 1HD2 LEU 49 14.506 -8.389 3.981 413 2HD2 LEU 49 2HD2 LEU 49 14.554 -6.718 3.417 414 3HD2 LEU 49 3HD2 LEU 49 15.812 -7.851 2.923 415 HA PRO 50 HA PRO 50 12.470 -9.512 -3.146 416 1HB PRO 50 2HB PRO 50 11.124 -11.771 -3.893 417 2HB PRO 50 1HB PRO 50 12.858 -11.539 -4.186 418 1HG PRO 50 2HG PRO 50 11.489 -13.150 -2.105 419 2HG PRO 50 1HG PRO 50 13.001 -13.467 -2.969 420 1HD PRO 50 2HD PRO 50 12.838 -12.506 -0.390 421 2HD PRO 50 1HD PRO 50 14.244 -12.313 -1.457 422 HA PRO 51 HA PRO 51 8.557 -8.533 -1.249 423 1HB PRO 51 2HB PRO 51 7.529 -7.043 -3.302 424 2HB PRO 51 1HB PRO 51 8.781 -6.438 -2.199 425 1HG PRO 51 2HG PRO 51 9.043 -7.474 -4.971 426 2HG PRO 51 1HG PRO 51 9.911 -6.157 -4.169 427 1HD PRO 51 2HD PRO 51 10.947 -8.664 -4.570 428 2HD PRO 51 1HD PRO 51 11.475 -7.558 -3.283 429 H LEU 52 H LEU 52 7.003 -10.127 -1.136 430 HA LEU 52 HA LEU 52 6.363 -11.990 -3.201 431 1HB LEU 52 2HB LEU 52 5.937 -11.875 -0.585 432 2HB LEU 52 1HB LEU 52 4.384 -11.202 -1.082 433 HG LEU 52 HG LEU 52 5.273 -13.631 -2.542 434 1HD1 LEU 52 1HD1 LEU 52 5.903 -14.065 -0.139 435 2HD1 LEU 52 2HD1 LEU 52 4.665 -15.155 -0.768 436 3HD1 LEU 52 3HD1 LEU 52 4.210 -13.819 0.290 437 1HD2 LEU 52 1HD2 LEU 52 2.727 -12.430 -1.470 438 2HD2 LEU 52 2HD2 LEU 52 2.771 -14.128 -1.943 439 3HD2 LEU 52 3HD2 LEU 52 3.131 -12.873 -3.128 440 H ASN 53 H ASN 53 4.329 -9.268 -2.010 441 HA ASN 53 HA ASN 53 2.927 -9.273 -4.660 442 1HB ASN 53 2HB ASN 53 1.701 -9.680 -2.451 443 2HB ASN 53 1HB ASN 53 2.070 -8.005 -2.042 444 1HD2 ASN 53 1HD2 ASN 53 -0.605 -8.489 -2.206 445 2HD2 ASN 53 2HD2 ASN 53 -1.262 -7.910 -3.660 446 H ASN 54 H ASN 54 3.021 -7.389 -5.904 447 HA ASN 54 HA ASN 54 4.488 -5.053 -4.701 448 1HB ASN 54 2HB ASN 54 5.617 -6.582 -6.447 449 2HB ASN 54 1HB ASN 54 4.482 -5.896 -7.611 450 1HD2 ASN 54 1HD2 ASN 54 5.258 -4.072 -8.663 451 2HD2 ASN 54 2HD2 ASN 54 6.427 -3.009 -8.042 452 H PHE 55 H PHE 55 3.069 -3.381 -4.471 453 HA PHE 55 HA PHE 55 0.751 -3.119 -6.337 454 1HB PHE 55 2HB PHE 55 1.428 -2.438 -3.541 455 2HB PHE 55 1HB PHE 55 0.505 -1.194 -4.383 456 HD1 PHE 55 1HD PHE 55 -1.739 -1.679 -5.290 457 HD2 PHE 55 2HD PHE 55 0.466 -4.617 -3.060 458 HE1 PHE 55 1HE PHE 55 -3.807 -3.020 -5.010 459 HE2 PHE 55 2HE PHE 55 -1.602 -5.956 -2.781 460 HZ PHE 55 HZ PHE 55 -3.739 -5.158 -3.757 461 H SER 56 H SER 56 0.378 -1.082 -7.427 462 HA SER 56 HA SER 56 2.798 0.698 -7.597 463 1HB SER 56 2HB SER 56 0.808 0.221 -9.819 464 2HB SER 56 1HB SER 56 2.469 0.791 -9.941 465 HG SER 56 HG SER 56 3.186 -1.259 -9.455 466 H VAL 57 H VAL 57 2.404 2.886 -7.338 467 HA VAL 57 HA VAL 57 -0.376 3.908 -7.618 468 HB VAL 57 HB VAL 57 -0.116 3.124 -5.294 469 1HG1 VAL 57 1HG1 VAL 57 2.305 3.287 -5.062 470 2HG1 VAL 57 2HG1 VAL 57 1.532 4.250 -3.803 471 3HG1 VAL 57 3HG1 VAL 57 2.231 5.042 -5.214 472 1HG2 VAL 57 1HG2 VAL 57 -1.030 5.015 -4.281 473 2HG2 VAL 57 2HG2 VAL 57 -1.268 5.385 -5.988 474 3HG2 VAL 57 3HG2 VAL 57 0.073 6.116 -5.107 475 H ALA 58 H ALA 58 1.351 4.576 -9.493 476 HA ALA 58 HA ALA 58 2.930 6.978 -8.788 477 1HB ALA 58 1HB ALA 58 3.741 5.271 -10.388 478 2HB ALA 58 2HB ALA 58 3.551 6.833 -11.186 479 3HB ALA 58 3HB ALA 58 2.340 5.572 -11.417 480 H GLU 59 H GLU 59 0.012 6.128 -10.631 481 HA GLU 59 HA GLU 59 -0.741 9.032 -10.686 482 1HB GLU 59 2HB GLU 59 -1.824 8.467 -12.886 483 2HB GLU 59 1HB GLU 59 -0.074 8.265 -12.903 484 1HG GLU 59 2HG GLU 59 -0.436 6.166 -13.659 485 2HG GLU 59 1HG GLU 59 -1.036 5.780 -12.049 486 H CYS 60 H CYS 60 -1.425 6.676 -8.824 487 HA CYS 60 HA CYS 60 -4.359 6.428 -9.314 488 1HB CYS 60 2HB CYS 60 -2.253 4.973 -7.737 489 2HB CYS 60 1HB CYS 60 -3.949 4.778 -7.299 490 H GLN 61 H GLN 61 -5.801 6.707 -7.400 491 HA GLN 61 HA GLN 61 -4.777 8.827 -5.535 492 1HB GLN 61 2HB GLN 61 -7.186 9.569 -5.514 493 2HB GLN 61 1HB GLN 61 -6.428 9.678 -7.101 494 1HG GLN 61 2HG GLN 61 -7.537 7.729 -7.885 495 2HG GLN 61 1HG GLN 61 -8.003 7.243 -6.257 496 1HE2 GLN 61 1HE2 GLN 61 -10.296 7.314 -6.518 497 2HE2 GLN 61 2HE2 GLN 61 -11.141 8.739 -6.885 498 H LEU 62 H LEU 62 -4.921 8.392 -3.375 499 HA LEU 62 HA LEU 62 -6.321 5.879 -2.537 500 1HB LEU 62 2HB LEU 62 -3.739 7.101 -2.044 501 2HB LEU 62 1HB LEU 62 -4.583 6.831 -0.519 502 HG LEU 62 HG LEU 62 -4.540 4.651 -2.584 503 1HD1 LEU 62 1HD1 LEU 62 -2.466 4.164 -0.711 504 2HD1 LEU 62 2HD1 LEU 62 -2.200 5.788 -1.346 505 3HD1 LEU 62 3HD1 LEU 62 -2.306 4.416 -2.448 506 1HD2 LEU 62 1HD2 LEU 62 -5.950 4.523 -0.513 507 2HD2 LEU 62 2HD2 LEU 62 -4.476 4.621 0.451 508 3HD2 LEU 62 3HD2 LEU 62 -4.746 3.237 -0.609 509 H MET 63 H MET 63 -7.978 6.028 -1.063 510 HA MET 63 HA MET 63 -8.356 8.607 0.420 511 1HB MET 63 2HB MET 63 -10.675 8.632 -0.241 512 2HB MET 63 1HB MET 63 -9.737 8.367 -1.709 513 1HG MET 63 2HG MET 63 -10.102 5.799 -0.981 514 2HG MET 63 1HG MET 63 -11.547 6.500 -0.254 515 1HE MET 63 1HE MET 63 -9.289 6.981 -3.290 516 2HE MET 63 2HE MET 63 -10.303 6.564 -4.668 517 3HE MET 63 3HE MET 63 -9.827 5.312 -3.524 518 H LYS 64 H LYS 64 -9.389 8.346 2.486 519 HA LYS 64 HA LYS 64 -9.223 5.597 3.579 520 1HB LYS 64 2HB LYS 64 -9.362 6.748 5.731 521 2HB LYS 64 1HB LYS 64 -8.192 7.577 4.707 522 1HG LYS 64 2HG LYS 64 -10.730 8.740 4.160 523 2HG LYS 64 1HG LYS 64 -10.581 8.634 5.914 524 1HD LYS 64 2HD LYS 64 -8.199 9.597 5.560 525 2HD LYS 64 1HD LYS 64 -8.778 10.056 3.959 526 1HE LYS 64 2HE LYS 64 -10.530 10.761 6.278 527 2HE LYS 64 1HE LYS 64 -9.044 11.705 6.063 528 1HZ LYS 64 1HZ LYS 64 -10.818 12.663 4.749 529 2HZ LYS 64 2HZ LYS 64 -11.104 11.175 3.980 530 3HZ LYS 64 3HZ LYS 64 -9.644 12.005 3.717 531 H THR 65 H THR 65 -11.037 4.691 4.817 532 HA THR 65 HA THR 65 -13.707 5.923 4.431 533 HB THR 65 HB THR 65 -13.142 4.663 2.352 534 HG1 THR 65 1HG THR 65 -15.053 3.469 2.337 535 1HG2 THR 65 1HG2 THR 65 -11.661 2.972 3.272 536 2HG2 THR 65 2HG2 THR 65 -13.034 2.166 2.515 537 3HG2 THR 65 3HG2 THR 65 -12.962 2.322 4.269 538 H GLU 66 H GLU 66 -15.420 4.355 5.429 539 HA GLU 66 HA GLU 66 -14.255 3.099 7.896 540 1HB GLU 66 2HB GLU 66 -16.344 3.808 8.981 541 2HB GLU 66 1HB GLU 66 -15.570 5.188 8.208 542 1HG GLU 66 2HG GLU 66 -17.425 5.551 6.986 543 2HG GLU 66 1HG GLU 66 -17.279 3.943 6.277 544 H ARG 67 H ARG 67 -15.154 2.004 5.061 545 HA ARG 67 HA ARG 67 -16.875 -0.204 6.149 546 1HB ARG 67 2HB ARG 67 -17.545 1.722 4.295 547 2HB ARG 67 1HB ARG 67 -16.997 0.402 3.262 548 1HG ARG 67 2HG ARG 67 -18.527 -0.994 5.005 549 2HG ARG 67 1HG ARG 67 -19.371 0.554 5.040 550 1HD ARG 67 2HD ARG 67 -20.422 -0.522 3.232 551 2HD ARG 67 1HD ARG 67 -19.146 0.397 2.410 552 HE ARG 67 HE ARG 67 -18.498 -2.358 3.328 553 1HH1 ARG 67 1HH2 ARG 67 -19.140 -0.115 0.736 554 2HH1 ARG 67 2HH2 ARG 67 -18.520 -1.170 -0.484 555 1HH2 ARG 67 1HH1 ARG 67 -17.697 -3.719 1.718 556 2HH2 ARG 67 2HH1 ARG 67 -17.706 -3.196 0.067 557 HA PRO 68 HA PRO 68 -17.439 -2.112 5.760 558 1HB PRO 68 2HB PRO 68 -16.577 -4.435 6.913 559 2HB PRO 68 1HB PRO 68 -17.120 -4.334 5.228 560 1HG PRO 68 2HG PRO 68 -14.361 -4.423 6.324 561 2HG PRO 68 1HG PRO 68 -15.019 -5.162 4.857 562 1HD PRO 68 2HD PRO 68 -13.519 -2.873 4.876 563 2HD PRO 68 1HD PRO 68 -14.695 -3.279 3.610 564 H ARG 69 H ARG 69 -14.193 -2.239 7.252 565 HA ARG 69 HA ARG 69 -15.389 -1.644 9.924 566 1HB ARG 69 2HB ARG 69 -12.956 -2.943 8.843 567 2HB ARG 69 1HB ARG 69 -12.691 -1.967 10.286 568 1HG ARG 69 2HG ARG 69 -13.598 -3.571 11.575 569 2HG ARG 69 1HG ARG 69 -15.092 -3.506 10.641 570 1HD ARG 69 2HD ARG 69 -14.366 -5.749 10.366 571 2HD ARG 69 1HD ARG 69 -13.782 -4.955 8.891 572 HE ARG 69 HE ARG 69 -11.735 -4.583 10.761 573 1HH1 ARG 69 1HH2 ARG 69 -13.435 -7.301 9.398 574 2HH1 ARG 69 2HH2 ARG 69 -12.069 -8.357 9.503 575 1HH2 ARG 69 1HH1 ARG 69 -9.963 -5.972 10.883 576 2HH2 ARG 69 2HH1 ARG 69 -10.114 -7.611 10.345 577 HA PRO 70 HA PRO 70 -14.041 2.542 9.889 578 1HB PRO 70 2HB PRO 70 -13.076 2.881 12.433 579 2HB PRO 70 1HB PRO 70 -14.808 2.747 12.061 580 1HG PRO 70 2HG PRO 70 -12.927 0.674 13.088 581 2HG PRO 70 1HG PRO 70 -14.605 1.004 13.552 582 1HD PRO 70 2HD PRO 70 -13.916 -1.027 11.899 583 2HD PRO 70 1HD PRO 70 -15.469 -0.171 11.775 584 H ASN 71 H ASN 71 -12.098 3.915 9.925 585 HA ASN 71 HA ASN 71 -9.829 4.342 9.464 586 1HB ASN 71 2HB ASN 71 -10.010 2.432 11.685 587 2HB ASN 71 1HB ASN 71 -8.477 2.322 10.823 588 1HD2 ASN 71 1HD2 ASN 71 -9.403 3.620 13.537 589 2HD2 ASN 71 2HD2 ASN 71 -8.680 5.155 13.482 590 H THR 72 H THR 72 -10.887 3.220 7.319 591 HA THR 72 HA THR 72 -9.071 0.951 6.558 592 HB THR 72 HB THR 72 -11.907 1.683 5.775 593 HG1 THR 72 1HG THR 72 -12.257 0.317 7.311 594 1HG2 THR 72 1HG2 THR 72 -11.678 -0.545 4.449 595 2HG2 THR 72 2HG2 THR 72 -9.946 -0.216 4.506 596 3HG2 THR 72 3HG2 THR 72 -11.036 0.929 3.726 597 H PHE 73 H PHE 73 -8.231 1.030 4.367 598 HA PHE 73 HA PHE 73 -8.282 3.772 3.138 599 1HB PHE 73 2HB PHE 73 -6.152 1.948 4.016 600 2HB PHE 73 1HB PHE 73 -5.915 2.562 2.379 601 HD1 PHE 73 1HD PHE 73 -5.584 3.281 5.853 602 HD2 PHE 73 2HD PHE 73 -6.239 5.126 2.032 603 HE1 PHE 73 1HE PHE 73 -4.837 5.455 6.774 604 HE2 PHE 73 2HE PHE 73 -5.494 7.303 2.956 605 HZ PHE 73 HZ PHE 73 -4.794 7.465 5.328 606 H VAL 74 H VAL 74 -8.755 3.847 0.962 607 HA VAL 74 HA VAL 74 -8.733 1.279 -0.589 608 HB VAL 74 HB VAL 74 -10.907 3.405 -0.563 609 1HG1 VAL 74 1HG1 VAL 74 -12.166 1.656 -1.854 610 2HG1 VAL 74 2HG1 VAL 74 -10.679 0.711 -1.939 611 3HG1 VAL 74 3HG1 VAL 74 -10.765 2.291 -2.716 612 1HG2 VAL 74 1HG2 VAL 74 -12.245 1.460 0.453 613 2HG2 VAL 74 2HG2 VAL 74 -11.069 2.237 1.514 614 3HG2 VAL 74 3HG2 VAL 74 -10.688 0.690 0.759 615 H ILE 75 H ILE 75 -7.855 1.512 -2.625 616 HA ILE 75 HA ILE 75 -7.318 4.301 -3.600 617 HB ILE 75 HB ILE 75 -5.318 3.021 -2.887 618 1HG1 ILE 75 2HG1 ILE 75 -5.227 3.037 -5.892 619 2HG1 ILE 75 1HG1 ILE 75 -5.458 4.553 -5.021 620 1HG2 ILE 75 1HG2 ILE 75 -6.274 0.750 -3.364 621 2HG2 ILE 75 2HG2 ILE 75 -4.653 0.979 -4.016 622 3HG2 ILE 75 3HG2 ILE 75 -6.052 1.065 -5.084 623 1HD1 ILE 75 1HD1 ILE 75 -3.319 4.583 -4.260 624 2HD1 ILE 75 2HD1 ILE 75 -3.012 3.433 -5.562 625 3HD1 ILE 75 3HD1 ILE 75 -3.316 2.851 -3.926 626 H ARG 76 H ARG 76 -8.232 4.801 -5.571 627 HA ARG 76 HA ARG 76 -9.187 2.519 -7.283 628 1HB ARG 76 2HB ARG 76 -10.526 5.106 -6.448 629 2HB ARG 76 1HB ARG 76 -11.125 4.118 -7.781 630 1HG ARG 76 2HG ARG 76 -11.724 2.349 -6.381 631 2HG ARG 76 1HG ARG 76 -10.585 2.826 -5.122 632 1HD ARG 76 2HD ARG 76 -12.644 3.495 -4.200 633 2HD ARG 76 1HD ARG 76 -12.095 4.991 -4.980 634 HE ARG 76 HE ARG 76 -13.552 3.327 -6.847 635 1HH1 ARG 76 1HH2 ARG 76 -13.913 5.532 -4.180 636 2HH1 ARG 76 2HH2 ARG 76 -15.492 6.046 -4.664 637 1HH2 ARG 76 1HH1 ARG 76 -15.615 4.003 -7.466 638 2HH2 ARG 76 2HH1 ARG 76 -16.454 5.182 -6.517 639 H CYS 77 H CYS 77 -8.214 2.593 -9.251 640 HA CYS 77 HA CYS 77 -7.254 5.232 -10.310 641 1HB CYS 77 2HB CYS 77 -6.429 2.461 -11.208 642 2HB CYS 77 1HB CYS 77 -5.544 3.972 -11.402 643 H LEU 78 H LEU 78 -6.967 4.225 -13.032 644 HA LEU 78 HA LEU 78 -9.766 4.492 -13.909 645 1HB LEU 78 2HB LEU 78 -7.156 5.099 -14.877 646 2HB LEU 78 1HB LEU 78 -7.877 3.977 -16.028 647 HG LEU 78 HG LEU 78 -8.394 6.332 -16.599 648 1HD1 LEU 78 1HD1 LEU 78 -10.001 4.434 -17.067 649 2HD1 LEU 78 2HD1 LEU 78 -10.755 6.025 -16.960 650 3HD1 LEU 78 3HD1 LEU 78 -10.872 4.900 -15.607 651 1HD2 LEU 78 1HD2 LEU 78 -10.082 6.430 -14.096 652 2HD2 LEU 78 2HD2 LEU 78 -9.613 7.760 -15.154 653 3HD2 LEU 78 3HD2 LEU 78 -8.415 7.007 -14.101 654 H GLN 79 H GLN 79 -7.246 2.268 -15.160 655 HA GLN 79 HA GLN 79 -7.374 0.001 -15.800 656 1HB GLN 79 2HB GLN 79 -8.713 0.377 -13.211 657 2HB GLN 79 1HB GLN 79 -9.249 -1.072 -14.058 658 1HG GLN 79 2HG GLN 79 -7.063 -1.972 -14.147 659 2HG GLN 79 1HG GLN 79 -6.316 -0.415 -13.780 660 1HE2 GLN 79 1HE2 GLN 79 -6.949 0.496 -11.508 661 2HE2 GLN 79 2HE2 GLN 79 -7.085 -0.635 -10.249 662 H TRP 80 H TRP 80 -9.391 -1.823 -15.991 663 HA TRP 80 HA TRP 80 -11.838 -0.662 -17.122 664 1HB TRP 80 2HB TRP 80 -9.834 -0.451 -18.796 665 2HB TRP 80 1HB TRP 80 -10.048 -2.188 -19.014 666 HD1 TRP 80 HD TRP 80 -11.967 -2.972 -20.531 667 HE1 TRP 80 1HE TRP 80 -13.864 -1.789 -21.816 668 HE3 TRP 80 3HE TRP 80 -11.516 1.744 -18.625 669 HZ2 TRP 80 2HZ TRP 80 -15.034 0.814 -22.010 670 HZ3 TRP 80 3HZ TRP 80 -13.034 3.553 -19.376 671 HH2 TRP 80 HH TRP 80 -14.790 3.095 -21.065 672 H THR 81 H THR 81 -9.784 -3.605 -17.380 673 HA THR 81 HA THR 81 -12.061 -5.213 -16.295 674 HB THR 81 HB THR 81 -10.414 -6.026 -18.708 675 HG1 THR 81 1HG THR 81 -11.976 -5.175 -19.978 676 1HG2 THR 81 1HG2 THR 81 -11.723 -7.714 -17.296 677 2HG2 THR 81 2HG2 THR 81 -12.085 -7.691 -19.021 678 3HG2 THR 81 3HG2 THR 81 -13.180 -6.913 -17.879 679 H THR 82 H THR 82 -10.671 -5.253 -14.346 680 HA THR 82 HA THR 82 -8.570 -7.361 -14.529 681 HB THR 82 HB THR 82 -7.221 -5.749 -12.965 682 HG1 THR 82 1HG THR 82 -8.026 -3.837 -12.758 683 1HG2 THR 82 1HG2 THR 82 -7.053 -6.338 -15.610 684 2HG2 THR 82 2HG2 THR 82 -5.932 -5.259 -14.780 685 3HG2 THR 82 3HG2 THR 82 -7.288 -4.592 -15.689 686 H VAL 83 H VAL 83 -8.323 -8.533 -12.570 687 HA VAL 83 HA VAL 83 -10.412 -7.989 -10.491 688 HB VAL 83 HB VAL 83 -8.895 -10.489 -11.328 689 1HG1 VAL 83 1HG1 VAL 83 -10.678 -11.559 -9.766 690 2HG1 VAL 83 2HG1 VAL 83 -10.802 -9.950 -9.055 691 3HG1 VAL 83 3HG1 VAL 83 -9.264 -10.812 -9.024 692 1HG2 VAL 83 1HG2 VAL 83 -11.042 -11.247 -12.162 693 2HG2 VAL 83 2HG2 VAL 83 -10.735 -9.647 -12.837 694 3HG2 VAL 83 3HG2 VAL 83 -11.854 -9.835 -11.487 695 H ILE 84 H ILE 84 -9.329 -6.639 -9.016 696 HA ILE 84 HA ILE 84 -7.101 -7.861 -7.505 697 HB ILE 84 HB ILE 84 -6.038 -6.706 -9.407 698 1HG1 ILE 84 2HG1 ILE 84 -5.635 -4.988 -6.952 699 2HG1 ILE 84 1HG1 ILE 84 -5.071 -6.657 -7.023 700 1HG2 ILE 84 1HG2 ILE 84 -7.904 -5.052 -9.750 701 2HG2 ILE 84 2HG2 ILE 84 -6.299 -4.322 -9.761 702 3HG2 ILE 84 3HG2 ILE 84 -7.322 -4.177 -8.333 703 1HD1 ILE 84 1HD1 ILE 84 -4.374 -4.821 -9.285 704 2HD1 ILE 84 2HD1 ILE 84 -3.476 -6.198 -8.642 705 3HD1 ILE 84 3HD1 ILE 84 -3.485 -4.665 -7.769 706 H GLU 85 H GLU 85 -7.242 -7.285 -5.358 707 HA GLU 85 HA GLU 85 -9.447 -5.577 -4.463 708 1HB GLU 85 2HB GLU 85 -8.185 -7.776 -3.503 709 2HB GLU 85 1HB GLU 85 -7.316 -6.530 -2.610 710 1HG GLU 85 2HG GLU 85 -9.070 -6.778 -1.157 711 2HG GLU 85 1HG GLU 85 -9.841 -5.637 -2.259 712 H ARG 86 H ARG 86 -9.263 -3.403 -4.022 713 HA ARG 86 HA ARG 86 -6.502 -2.250 -3.765 714 1HB ARG 86 2HB ARG 86 -7.404 -0.300 -4.901 715 2HB ARG 86 1HB ARG 86 -7.830 -1.730 -5.834 716 1HG ARG 86 2HG ARG 86 -9.828 -1.073 -3.790 717 2HG ARG 86 1HG ARG 86 -9.612 0.212 -4.974 718 1HD ARG 86 2HD ARG 86 -10.633 -0.993 -6.604 719 2HD ARG 86 1HD ARG 86 -9.699 -2.449 -6.209 720 HE ARG 86 HE ARG 86 -11.559 -1.954 -4.096 721 1HH1 ARG 86 1HH2 ARG 86 -11.443 -2.945 -7.426 722 2HH1 ARG 86 2HH2 ARG 86 -12.877 -3.905 -7.312 723 1HH2 ARG 86 1HH1 ARG 86 -13.416 -3.203 -3.953 724 2HH2 ARG 86 2HH1 ARG 86 -13.994 -4.055 -5.345 725 H THR 87 H THR 87 -8.231 -3.242 -1.525 726 HA THR 87 HA THR 87 -8.424 -0.658 -0.019 727 HB THR 87 HB THR 87 -10.679 -1.261 -0.628 728 HG1 THR 87 1HG THR 87 -10.264 -2.284 1.983 729 1HG2 THR 87 1HG2 THR 87 -10.494 -3.526 -1.312 730 2HG2 THR 87 2HG2 THR 87 -11.543 -3.566 0.105 731 3HG2 THR 87 3HG2 THR 87 -9.848 -4.028 0.250 732 H PHE 88 H PHE 88 -7.733 -0.788 2.136 733 HA PHE 88 HA PHE 88 -7.118 -3.445 3.290 734 1HB PHE 88 2HB PHE 88 -4.814 -3.175 3.305 735 2HB PHE 88 1HB PHE 88 -5.213 -2.349 1.804 736 HD1 PHE 88 1HD PHE 88 -4.644 -1.748 5.451 737 HD2 PHE 88 2HD PHE 88 -4.609 -0.087 1.491 738 HE1 PHE 88 1HE PHE 88 -3.596 0.315 6.326 739 HE2 PHE 88 2HE PHE 88 -3.558 1.981 2.371 740 HZ PHE 88 HZ PHE 88 -3.052 2.178 4.793 741 H HIS 89 H HIS 89 -6.839 -3.373 5.581 742 HA HIS 89 HA HIS 89 -7.921 -0.904 6.889 743 1HB HIS 89 2HB HIS 89 -7.804 -3.847 7.632 744 2HB HIS 89 1HB HIS 89 -8.379 -2.602 8.737 745 HD1 HIS 89 1HD HIS 89 -10.691 -4.012 8.539 746 HD2 HIS 89 2HD HIS 89 -9.530 -1.917 5.131 747 HE1 HIS 89 1HE HIS 89 -12.741 -3.852 7.066 748 H VAL 90 H VAL 90 -6.819 -0.115 8.814 749 HA VAL 90 HA VAL 90 -3.942 -0.913 8.929 750 HB VAL 90 HB VAL 90 -3.686 1.231 10.137 751 1HG1 VAL 90 1HG1 VAL 90 -5.200 1.201 7.528 752 2HG1 VAL 90 2HG1 VAL 90 -3.472 1.435 7.795 753 3HG1 VAL 90 3HG1 VAL 90 -4.612 2.705 8.236 754 1HG2 VAL 90 1HG2 VAL 90 -6.274 0.924 10.916 755 2HG2 VAL 90 2HG2 VAL 90 -6.485 2.053 9.578 756 3HG2 VAL 90 3HG2 VAL 90 -5.436 2.474 10.931 757 H ASP 91 H ASP 91 -2.945 -1.378 10.970 758 HA ASP 91 HA ASP 91 -4.630 -2.896 12.807 759 1HB ASP 91 2HB ASP 91 -2.085 -3.089 11.970 760 2HB ASP 91 1HB ASP 91 -1.805 -2.161 13.443 761 H SER 92 H SER 92 -3.308 0.367 12.747 762 HA SER 92 HA SER 92 -4.660 0.905 15.350 763 1HB SER 92 2HB SER 92 -2.700 1.611 16.383 764 2HB SER 92 1HB SER 92 -2.052 0.349 15.342 765 HG SER 92 HG SER 92 -0.824 1.983 14.734 766 HA PRO 93 HA PRO 93 -5.888 4.659 13.406 767 1HB PRO 93 2HB PRO 93 -5.721 6.472 15.461 768 2HB PRO 93 1HB PRO 93 -7.007 5.252 15.344 769 1HG PRO 93 2HG PRO 93 -4.503 5.210 16.968 770 2HG PRO 93 1HG PRO 93 -6.143 4.713 17.416 771 1HD PRO 93 2HD PRO 93 -4.238 2.928 16.736 772 2HD PRO 93 1HD PRO 93 -5.958 2.669 16.362 773 H ASP 94 H ASP 94 -2.964 4.921 15.439 774 HA ASP 94 HA ASP 94 -1.844 7.258 14.216 775 1HB ASP 94 2HB ASP 94 -0.962 6.553 16.295 776 2HB ASP 94 1HB ASP 94 -0.818 4.877 15.766 777 H GLU 95 H GLU 95 -1.745 3.803 13.358 778 HA GLU 95 HA GLU 95 0.300 3.975 11.333 779 1HB GLU 95 2HB GLU 95 -1.414 2.052 12.517 780 2HB GLU 95 1HB GLU 95 -1.754 2.000 10.790 781 1HG GLU 95 2HG GLU 95 0.071 0.444 11.397 782 2HG GLU 95 1HG GLU 95 0.642 1.710 10.312 783 H ARG 96 H ARG 96 -3.274 4.109 11.162 784 HA ARG 96 HA ARG 96 -3.569 4.460 8.359 785 1HB ARG 96 2HB ARG 96 -5.501 4.009 9.613 786 2HB ARG 96 1HB ARG 96 -5.101 5.205 10.841 787 1HG ARG 96 2HG ARG 96 -5.516 6.304 8.124 788 2HG ARG 96 1HG ARG 96 -6.951 5.604 8.871 789 1HD ARG 96 2HD ARG 96 -5.905 7.040 10.969 790 2HD ARG 96 1HD ARG 96 -5.484 8.067 9.588 791 HE ARG 96 HE ARG 96 -8.232 7.278 10.389 792 1HH1 ARG 96 1HH2 ARG 96 -6.110 8.887 8.137 793 2HH1 ARG 96 2HH2 ARG 96 -7.383 9.807 7.421 794 1HH2 ARG 96 1HH1 ARG 96 -9.876 8.479 9.426 795 2HH2 ARG 96 2HH1 ARG 96 -9.505 9.569 8.133 796 H GLU 97 H GLU 97 -2.950 6.876 10.921 797 HA GLU 97 HA GLU 97 -3.168 9.197 9.210 798 1HB GLU 97 2HB GLU 97 -2.721 8.551 11.940 799 2HB GLU 97 1HB GLU 97 -1.355 9.545 11.436 800 1HG GLU 97 2HG GLU 97 -3.172 10.970 12.265 801 2HG GLU 97 1HG GLU 97 -2.931 11.237 10.539 802 H GLU 98 H GLU 98 -0.478 7.030 10.049 803 HA GLU 98 HA GLU 98 1.607 8.669 8.867 804 1HB GLU 98 2HB GLU 98 1.265 5.845 9.838 805 2HB GLU 98 1HB GLU 98 2.715 6.274 8.929 806 1HG GLU 98 2HG GLU 98 2.976 8.238 10.545 807 2HG GLU 98 1HG GLU 98 1.747 7.452 11.536 808 H TRP 99 H TRP 99 -0.346 5.901 7.725 809 HA TRP 99 HA TRP 99 0.907 5.528 5.184 810 1HB TRP 99 2HB TRP 99 -1.973 5.176 6.093 811 2HB TRP 99 1HB TRP 99 -1.328 4.526 4.589 812 HD1 TRP 99 HD TRP 99 -2.213 3.287 7.738 813 HE1 TRP 99 1HE TRP 99 -0.769 1.306 8.518 814 HE3 TRP 99 3HE TRP 99 1.758 3.774 4.556 815 HZ2 TRP 99 2HZ TRP 99 1.721 0.078 7.878 816 HZ3 TRP 99 3HZ TRP 99 3.653 2.175 4.673 817 HH2 TRP 99 HH TRP 99 3.633 0.334 6.326 818 H MET 100 H MET 100 -1.861 7.591 6.137 819 HA MET 100 HA MET 100 -2.443 8.686 3.566 820 1HB MET 100 2HB MET 100 -3.702 8.772 5.834 821 2HB MET 100 1HB MET 100 -2.681 10.164 6.194 822 1HG MET 100 2HG MET 100 -3.652 11.480 4.556 823 2HG MET 100 1HG MET 100 -4.097 10.095 3.558 824 1HE MET 100 1HE MET 100 -5.512 12.491 6.585 825 2HE MET 100 2HE MET 100 -6.846 12.585 5.437 826 3HE MET 100 3HE MET 100 -5.190 12.785 4.871 827 H ARG 101 H ARG 101 -0.361 9.975 6.195 828 HA ARG 101 HA ARG 101 0.521 12.318 4.806 829 1HB ARG 101 2HB ARG 101 0.719 11.447 7.302 830 2HB ARG 101 1HB ARG 101 2.262 10.809 6.735 831 1HG ARG 101 2HG ARG 101 2.692 13.010 7.612 832 2HG ARG 101 1HG ARG 101 2.788 13.125 5.854 833 1HD ARG 101 2HD ARG 101 1.387 14.935 6.259 834 2HD ARG 101 1HD ARG 101 0.158 13.662 6.163 835 HE ARG 101 HE ARG 101 -0.016 13.667 8.549 836 1HH1 ARG 101 1HH2 ARG 101 2.536 15.742 7.402 837 2HH1 ARG 101 2HH2 ARG 101 2.708 16.563 8.914 838 1HH2 ARG 101 1HH1 ARG 101 0.226 14.751 10.517 839 2HH2 ARG 101 2HH1 ARG 101 1.410 16.003 10.670 840 H ALA 102 H ALA 102 1.853 9.013 4.971 841 HA ALA 102 HA ALA 102 4.257 9.492 3.481 842 1HB ALA 102 1HB ALA 102 2.509 7.030 3.797 843 2HB ALA 102 2HB ALA 102 3.826 7.509 4.868 844 3HB ALA 102 3HB ALA 102 4.172 7.013 3.211 845 H ILE 103 H ILE 103 0.978 8.494 2.451 846 HA ILE 103 HA ILE 103 1.542 8.061 -0.318 847 HB ILE 103 HB ILE 103 -0.923 8.959 1.210 848 1HG1 ILE 103 2HG1 ILE 103 -0.480 6.293 -0.116 849 2HG1 ILE 103 1HG1 ILE 103 0.238 6.616 1.462 850 1HG2 ILE 103 1HG2 ILE 103 -1.259 9.687 -1.066 851 2HG2 ILE 103 2HG2 ILE 103 -2.166 8.190 -0.858 852 3HG2 ILE 103 3HG2 ILE 103 -0.617 8.173 -1.702 853 1HD1 ILE 103 1HD1 ILE 103 -2.313 7.531 1.845 854 2HD1 ILE 103 2HD1 ILE 103 -1.768 5.908 2.268 855 3HD1 ILE 103 3HD1 ILE 103 -2.592 6.189 0.735 856 H GLN 104 H GLN 104 0.489 11.008 1.418 857 HA GLN 104 HA GLN 104 0.349 12.700 -0.906 858 1HB GLN 104 2HB GLN 104 0.112 12.862 1.991 859 2HB GLN 104 1HB GLN 104 0.944 14.275 1.346 860 1HG GLN 104 2HG GLN 104 -1.770 13.223 0.499 861 2HG GLN 104 1HG GLN 104 -1.436 14.736 1.339 862 1HE2 GLN 104 1HE2 GLN 104 0.319 16.148 0.009 863 2HE2 GLN 104 2HE2 GLN 104 0.015 16.254 -1.658 864 H MET 105 H MET 105 2.992 11.974 1.384 865 HA MET 105 HA MET 105 4.841 13.970 0.509 866 1HB MET 105 2HB MET 105 4.936 12.468 2.550 867 2HB MET 105 1HB MET 105 5.440 11.159 1.481 868 1HG MET 105 2HG MET 105 7.452 12.114 2.372 869 2HG MET 105 1HG MET 105 7.330 12.674 0.704 870 1HE MET 105 1HE MET 105 5.616 14.045 4.241 871 2HE MET 105 2HE MET 105 7.117 14.891 4.610 872 3HE MET 105 3HE MET 105 7.148 13.162 4.274 873 H VAL 106 H VAL 106 4.353 10.600 -0.601 874 HA VAL 106 HA VAL 106 6.430 10.666 -2.614 875 HB VAL 106 HB VAL 106 3.955 8.980 -2.124 876 1HG1 VAL 106 1HG1 VAL 106 5.847 9.007 -4.412 877 2HG1 VAL 106 2HG1 VAL 106 4.187 8.417 -4.331 878 3HG1 VAL 106 3HG1 VAL 106 5.508 7.424 -3.715 879 1HG2 VAL 106 1HG2 VAL 106 6.910 8.722 -1.565 880 2HG2 VAL 106 2HG2 VAL 106 5.876 7.296 -1.642 881 3HG2 VAL 106 3HG2 VAL 106 5.558 8.551 -0.444 882 H ALA 107 H ALA 107 2.930 11.344 -2.660 883 HA ALA 107 HA ALA 107 2.578 11.645 -5.476 884 1HB ALA 107 1HB ALA 107 0.564 12.895 -4.776 885 2HB ALA 107 2HB ALA 107 1.225 13.044 -3.147 886 3HB ALA 107 3HB ALA 107 0.785 11.457 -3.779 887 H ASN 108 H ASN 108 3.776 13.919 -3.012 888 HA ASN 108 HA ASN 108 3.630 16.353 -4.464 889 1HB ASN 108 2HB ASN 108 5.198 15.183 -2.229 890 2HB ASN 108 1HB ASN 108 5.914 16.600 -2.997 891 1HD2 ASN 108 1HD2 ASN 108 2.985 15.457 -1.292 892 2HD2 ASN 108 2HD2 ASN 108 2.436 17.007 -0.872 893 H SER 109 H SER 109 6.204 13.865 -4.448 894 HA SER 109 HA SER 109 7.723 15.322 -6.533 895 1HB SER 109 2HB SER 109 8.102 12.798 -4.912 896 2HB SER 109 1HB SER 109 9.215 13.251 -6.200 897 HG SER 109 HG SER 109 10.100 14.418 -4.683 898 H LEU 110 H LEU 110 5.377 12.753 -6.309 899 HA LEU 110 HA LEU 110 6.026 11.372 -8.775 900 1HB LEU 110 2HB LEU 110 4.198 11.212 -6.571 901 2HB LEU 110 1HB LEU 110 3.266 11.141 -8.064 902 HG LEU 110 HG LEU 110 4.751 9.332 -8.890 903 1HD1 LEU 110 1HD1 LEU 110 6.810 9.761 -7.755 904 2HD1 LEU 110 2HD1 LEU 110 6.216 8.239 -7.092 905 3HD1 LEU 110 3HD1 LEU 110 6.029 9.734 -6.174 906 1HD2 LEU 110 1HD2 LEU 110 3.958 7.591 -7.292 907 2HD2 LEU 110 2HD2 LEU 110 2.686 8.739 -7.712 908 3HD2 LEU 110 3HD2 LEU 110 3.511 8.866 -6.159 909 H LYS 111 H LYS 111 3.541 13.815 -7.914 910 HA LYS 111 HA LYS 111 3.617 14.973 -10.599 911 1HB LYS 111 2HB LYS 111 1.141 14.336 -10.970 912 2HB LYS 111 1HB LYS 111 2.329 13.053 -11.181 913 1HG LYS 111 2HG LYS 111 1.134 11.845 -9.693 914 2HG LYS 111 1HG LYS 111 1.702 12.961 -8.453 915 1HD LYS 111 2HD LYS 111 -0.489 14.144 -9.930 916 2HD LYS 111 1HD LYS 111 -0.961 12.570 -9.291 917 1HE LYS 111 2HE LYS 111 -1.176 13.479 -7.227 918 2HE LYS 111 1HE LYS 111 0.532 13.955 -7.259 919 1HZ LYS 111 1HZ LYS 111 -0.067 15.900 -8.572 920 2HZ LYS 111 2HZ LYS 111 -0.903 15.900 -7.092 921 3HZ LYS 111 3HZ LYS 111 -1.706 15.456 -8.522 Start of MODEL 11 1 1H MET 1 1H MET 1 21.500 4.089 -13.036 2 2H MET 1 2H MET 1 20.775 5.063 -11.846 3 3H MET 1 3H MET 1 19.986 4.796 -13.326 4 HA MET 1 HA MET 1 19.571 2.524 -12.820 5 1HB MET 1 2HB MET 1 20.615 1.485 -10.875 6 2HB MET 1 1HB MET 1 21.869 2.272 -11.831 7 1HG MET 1 2HG MET 1 21.766 4.240 -10.318 8 2HG MET 1 1HG MET 1 20.547 3.413 -9.347 9 1HE MET 1 1HE MET 1 24.050 4.232 -9.901 10 2HE MET 1 2HE MET 1 24.107 2.841 -10.982 11 3HE MET 1 3HE MET 1 25.040 2.825 -9.487 12 H ASN 2 H ASN 2 18.308 1.696 -10.692 13 HA ASN 2 HA ASN 2 16.163 3.539 -10.205 14 1HB ASN 2 2HB ASN 2 17.081 0.865 -9.243 15 2HB ASN 2 1HB ASN 2 15.879 1.694 -8.259 16 1HD2 ASN 2 1HD2 ASN 2 14.327 -0.051 -8.960 17 2HD2 ASN 2 2HD2 ASN 2 13.595 0.059 -10.488 18 H GLU 3 H GLU 3 15.820 4.988 -8.523 19 HA GLU 3 HA GLU 3 17.701 4.990 -6.204 20 1HB GLU 3 2HB GLU 3 18.327 6.490 -8.267 21 2HB GLU 3 1HB GLU 3 17.031 7.532 -7.678 22 1HG GLU 3 2HG GLU 3 18.113 7.741 -5.511 23 2HG GLU 3 1HG GLU 3 19.353 6.577 -5.978 24 H VAL 4 H VAL 4 15.221 4.086 -5.775 25 HA VAL 4 HA VAL 4 13.669 6.427 -4.706 26 HB VAL 4 HB VAL 4 12.805 3.760 -5.868 27 1HG1 VAL 4 1HG1 VAL 4 11.041 5.919 -4.675 28 2HG1 VAL 4 2HG1 VAL 4 11.461 4.423 -3.841 29 3HG1 VAL 4 3HG1 VAL 4 10.520 4.368 -5.330 30 1HG2 VAL 4 1HG2 VAL 4 11.773 5.083 -7.585 31 2HG2 VAL 4 2HG2 VAL 4 13.405 5.722 -7.391 32 3HG2 VAL 4 3HG2 VAL 4 12.035 6.576 -6.681 33 H SER 5 H SER 5 13.570 6.435 -2.493 34 HA SER 5 HA SER 5 14.327 3.966 -1.003 35 1HB SER 5 2HB SER 5 14.097 6.916 -0.387 36 2HB SER 5 1HB SER 5 14.301 5.729 0.897 37 HG SER 5 HG SER 5 16.305 6.539 0.142 38 H VAL 6 H VAL 6 13.017 3.660 1.117 39 HA VAL 6 HA VAL 6 10.157 3.529 0.420 40 HB VAL 6 HB VAL 6 11.878 2.611 2.741 41 1HG1 VAL 6 1HG1 VAL 6 9.705 3.153 3.687 42 2HG1 VAL 6 2HG1 VAL 6 9.818 1.401 3.526 43 3HG1 VAL 6 3HG1 VAL 6 8.879 2.335 2.361 44 1HG2 VAL 6 1HG2 VAL 6 12.102 1.309 0.692 45 2HG2 VAL 6 2HG2 VAL 6 10.348 1.185 0.540 46 3HG2 VAL 6 3HG2 VAL 6 11.180 0.368 1.864 47 H ILE 7 H ILE 7 8.688 5.056 1.041 48 HA ILE 7 HA ILE 7 9.543 7.337 2.696 49 HB ILE 7 HB ILE 7 6.974 6.551 1.280 50 1HG1 ILE 7 2HG1 ILE 7 8.703 7.050 -0.304 51 2HG1 ILE 7 1HG1 ILE 7 7.692 8.488 -0.210 52 1HG2 ILE 7 1HG2 ILE 7 7.705 9.052 2.813 53 2HG2 ILE 7 2HG2 ILE 7 6.309 8.001 3.056 54 3HG2 ILE 7 3HG2 ILE 7 6.411 9.013 1.616 55 1HD1 ILE 7 1HD1 ILE 7 9.787 9.458 -0.014 56 2HD1 ILE 7 2HD1 ILE 7 10.476 8.054 0.802 57 3HD1 ILE 7 3HD1 ILE 7 9.430 9.165 1.688 58 H LYS 8 H LYS 8 7.126 4.711 2.921 59 HA LYS 8 HA LYS 8 7.216 4.940 5.887 60 1HB LYS 8 2HB LYS 8 5.336 6.288 4.448 61 2HB LYS 8 1HB LYS 8 4.513 4.746 4.677 62 1HG LYS 8 2HG LYS 8 3.889 6.000 6.578 63 2HG LYS 8 1HG LYS 8 5.200 4.978 7.165 64 1HD LYS 8 2HD LYS 8 6.232 7.447 6.026 65 2HD LYS 8 1HD LYS 8 5.072 7.776 7.314 66 1HE LYS 8 2HE LYS 8 6.322 6.466 8.900 67 2HE LYS 8 1HE LYS 8 7.362 5.804 7.625 68 1HZ LYS 8 1HZ LYS 8 7.121 8.703 8.244 69 2HZ LYS 8 2HZ LYS 8 8.205 7.978 7.154 70 3HZ LYS 8 3HZ LYS 8 8.370 7.712 8.824 71 H GLU 9 H GLU 9 6.984 2.943 6.852 72 HA GLU 9 HA GLU 9 5.911 0.679 5.217 73 1HB GLU 9 2HB GLU 9 7.834 -0.681 6.030 74 2HB GLU 9 1HB GLU 9 8.359 0.690 5.055 75 1HG GLU 9 2HG GLU 9 8.748 1.974 7.177 76 2HG GLU 9 1HG GLU 9 8.375 0.506 8.081 77 H GLY 10 H GLY 10 4.680 -0.769 6.410 78 1HA GLY 10 2HA GLY 10 4.851 -0.983 9.296 79 2HA GLY 10 1HA GLY 10 3.465 -0.015 8.801 80 H TRP 11 H TRP 11 2.866 -2.292 10.126 81 HA TRP 11 HA TRP 11 2.395 -4.496 8.204 82 1HB TRP 11 2HB TRP 11 1.953 -4.006 11.154 83 2HB TRP 11 1HB TRP 11 1.281 -5.429 10.360 84 HD1 TRP 11 HD TRP 11 4.566 -3.855 11.431 85 HE1 TRP 11 1HE TRP 11 6.451 -5.597 11.209 86 HE3 TRP 11 3HE TRP 11 2.039 -7.590 9.032 87 HZ2 TRP 11 2HZ TRP 11 6.837 -8.227 10.160 88 HZ3 TRP 11 3HZ TRP 11 3.191 -9.702 8.435 89 HH2 TRP 11 HH TRP 11 5.586 -10.022 8.998 90 H LEU 12 H LEU 12 0.507 -4.663 7.055 91 HA LEU 12 HA LEU 12 -1.879 -3.107 8.015 92 1HB LEU 12 2HB LEU 12 -0.912 -3.608 5.177 93 2HB LEU 12 1HB LEU 12 -2.330 -2.662 5.625 94 HG LEU 12 HG LEU 12 0.527 -2.025 6.432 95 1HD1 LEU 12 1HD1 LEU 12 0.691 -0.776 4.563 96 2HD1 LEU 12 2HD1 LEU 12 -0.889 -0.048 4.836 97 3HD1 LEU 12 3HD1 LEU 12 -0.763 -1.587 3.986 98 1HD2 LEU 12 1HD2 LEU 12 -1.833 -1.331 7.712 99 2HD2 LEU 12 2HD2 LEU 12 -1.531 0.053 6.664 100 3HD2 LEU 12 3HD2 LEU 12 -0.311 -0.451 7.831 101 H HIS 13 H HIS 13 -3.967 -4.048 7.360 102 HA HIS 13 HA HIS 13 -3.843 -7.022 7.250 103 1HB HIS 13 2HB HIS 13 -5.692 -4.918 8.253 104 2HB HIS 13 1HB HIS 13 -6.443 -6.405 7.672 105 HD1 HIS 13 1HD HIS 13 -6.438 -8.342 9.268 106 HD2 HIS 13 2HD HIS 13 -3.576 -5.486 10.285 107 HE1 HIS 13 1HE HIS 13 -5.412 -9.102 11.454 108 H LYS 14 H LYS 14 -4.345 -8.087 5.412 109 HA LYS 14 HA LYS 14 -5.784 -6.618 3.222 110 1HB LYS 14 2HB LYS 14 -3.250 -8.012 3.386 111 2HB LYS 14 1HB LYS 14 -4.291 -8.804 2.203 112 1HG LYS 14 2HG LYS 14 -4.217 -5.830 2.127 113 2HG LYS 14 1HG LYS 14 -2.765 -6.672 1.586 114 1HD LYS 14 2HD LYS 14 -5.063 -8.007 0.494 115 2HD LYS 14 1HD LYS 14 -5.187 -6.282 0.144 116 1HE LYS 14 2HE LYS 14 -3.891 -7.047 -1.664 117 2HE LYS 14 1HE LYS 14 -2.635 -6.539 -0.519 118 1HZ LYS 14 1HZ LYS 14 -3.765 -9.284 -0.705 119 2HZ LYS 14 2HZ LYS 14 -2.524 -8.780 0.343 120 3HZ LYS 14 3HZ LYS 14 -2.261 -8.813 -1.335 121 H ARG 15 H ARG 15 -7.656 -7.603 2.507 122 HA ARG 15 HA ARG 15 -8.714 -9.925 3.870 123 1HB ARG 15 2HB ARG 15 -9.996 -7.991 2.885 124 2HB ARG 15 1HB ARG 15 -9.622 -8.631 1.284 125 1HG ARG 15 2HG ARG 15 -11.211 -10.226 1.444 126 2HG ARG 15 1HG ARG 15 -10.681 -10.690 3.061 127 1HD ARG 15 2HD ARG 15 -12.241 -9.371 4.092 128 2HD ARG 15 1HD ARG 15 -12.087 -8.079 2.888 129 HE ARG 15 HE ARG 15 -13.764 -10.511 2.611 130 1HH1 ARG 15 1HH2 ARG 15 -12.475 -7.579 1.233 131 2HH1 ARG 15 2HH2 ARG 15 -13.642 -7.530 -0.040 132 1HH2 ARG 15 1HH1 ARG 15 -15.261 -10.441 0.936 133 2HH2 ARG 15 2HH1 ARG 15 -15.214 -9.143 -0.210 134 H GLY 16 H GLY 16 -9.007 -12.044 3.061 135 1HA GLY 16 2HA GLY 16 -7.364 -12.731 0.655 136 2HA GLY 16 1HA GLY 16 -7.566 -13.806 2.039 137 H GLU 17 H GLU 17 -8.411 -13.759 -1.006 138 HA GLU 17 HA GLU 17 -10.185 -14.635 -2.280 139 1HB GLU 17 2HB GLU 17 -9.669 -16.204 -0.061 140 2HB GLU 17 1HB GLU 17 -11.412 -15.961 0.047 141 1HG GLU 17 2HG GLU 17 -11.643 -16.699 -2.313 142 2HG GLU 17 1HG GLU 17 -9.905 -16.997 -2.374 143 H TYR 18 H TYR 18 -12.854 -15.284 -1.232 144 HA TYR 18 HA TYR 18 -13.966 -12.538 -1.190 145 1HB TYR 18 2HB TYR 18 -16.032 -13.663 -1.787 146 2HB TYR 18 1HB TYR 18 -14.733 -14.344 -2.761 147 HD1 TYR 18 1HD TYR 18 -14.108 -16.652 -2.568 148 HD2 TYR 18 2HD TYR 18 -16.874 -14.918 0.223 149 HE1 TYR 18 1HE TYR 18 -14.663 -18.912 -1.710 150 HE2 TYR 18 2HE TYR 18 -17.425 -17.177 1.082 151 HH TYR 18 HH TYR 18 -17.175 -19.756 -0.241 152 H ILE 19 H ILE 19 -13.207 -14.999 1.096 153 HA ILE 19 HA ILE 19 -15.344 -14.758 2.973 154 HB ILE 19 HB ILE 19 -13.404 -16.425 2.853 155 1HG1 ILE 19 2HG1 ILE 19 -13.163 -16.414 5.454 156 2HG1 ILE 19 1HG1 ILE 19 -14.309 -15.075 5.391 157 1HG2 ILE 19 1HG2 ILE 19 -11.828 -14.192 2.994 158 2HG2 ILE 19 2HG2 ILE 19 -11.279 -15.820 3.388 159 3HG2 ILE 19 3HG2 ILE 19 -11.808 -14.733 4.672 160 1HD1 ILE 19 1HD1 ILE 19 -16.039 -16.455 4.933 161 2HD1 ILE 19 2HD1 ILE 19 -14.964 -17.778 5.385 162 3HD1 ILE 19 3HD1 ILE 19 -15.123 -17.312 3.692 163 H LYS 20 H LYS 20 -15.431 -13.469 4.954 164 HA LYS 20 HA LYS 20 -14.393 -10.730 4.577 165 1HB LYS 20 2HB LYS 20 -16.226 -12.041 6.612 166 2HB LYS 20 1HB LYS 20 -15.904 -10.308 6.535 167 1HG LYS 20 2HG LYS 20 -16.951 -10.095 4.413 168 2HG LYS 20 1HG LYS 20 -16.934 -11.838 4.140 169 1HD LYS 20 2HD LYS 20 -18.448 -10.619 6.450 170 2HD LYS 20 1HD LYS 20 -19.178 -10.784 4.853 171 1HE LYS 20 2HE LYS 20 -18.912 -13.189 4.894 172 2HE LYS 20 1HE LYS 20 -17.941 -13.105 6.377 173 1HZ LYS 20 1HZ LYS 20 -20.287 -13.608 6.842 174 2HZ LYS 20 2HZ LYS 20 -20.742 -12.139 6.120 175 3HZ LYS 20 3HZ LYS 20 -19.805 -12.138 7.538 176 H THR 21 H THR 21 -12.147 -12.125 4.993 177 HA THR 21 HA THR 21 -11.462 -11.635 7.875 178 HB THR 21 HB THR 21 -10.231 -13.796 6.162 179 HG1 THR 21 1HG THR 21 -11.800 -15.179 6.827 180 1HG2 THR 21 1HG2 THR 21 -10.575 -13.398 9.145 181 2HG2 THR 21 2HG2 THR 21 -9.075 -13.236 8.233 182 3HG2 THR 21 3HG2 THR 21 -9.838 -14.816 8.399 183 H TRP 22 H TRP 22 -9.553 -10.492 8.181 184 HA TRP 22 HA TRP 22 -7.976 -9.777 5.725 185 1HB TRP 22 2HB TRP 22 -8.542 -8.219 8.274 186 2HB TRP 22 1HB TRP 22 -7.552 -7.638 6.936 187 HD1 TRP 22 HD TRP 22 -11.170 -8.736 7.680 188 HE1 TRP 22 1HE TRP 22 -12.741 -7.546 6.024 189 HE3 TRP 22 3HE TRP 22 -7.731 -6.357 4.740 190 HZ2 TRP 22 2HZ TRP 22 -12.575 -5.816 3.763 191 HZ3 TRP 22 3HZ TRP 22 -8.469 -4.945 2.842 192 HH2 TRP 22 HH TRP 22 -10.885 -4.671 2.351 193 H ARG 23 H ARG 23 -5.813 -10.293 5.788 194 HA ARG 23 HA ARG 23 -4.693 -11.301 8.375 195 1HB ARG 23 2HB ARG 23 -3.279 -12.683 6.996 196 2HB ARG 23 1HB ARG 23 -4.911 -12.799 6.343 197 1HG ARG 23 2HG ARG 23 -4.179 -10.838 4.787 198 2HG ARG 23 1HG ARG 23 -2.539 -11.306 5.234 199 1HD ARG 23 2HD ARG 23 -2.632 -13.264 4.037 200 2HD ARG 23 1HD ARG 23 -4.342 -13.532 4.428 201 HE ARG 23 HE ARG 23 -3.929 -11.205 2.719 202 1HH1 ARG 23 1HH2 ARG 23 -4.354 -14.661 2.825 203 2HH1 ARG 23 2HH2 ARG 23 -4.938 -14.755 1.200 204 1HH2 ARG 23 1HH1 ARG 23 -4.694 -11.344 0.608 205 2HH2 ARG 23 2HH1 ARG 23 -5.124 -12.884 -0.055 206 HA PRO 24 HA PRO 24 -2.004 -7.804 8.430 207 1HB PRO 24 2HB PRO 24 -0.128 -8.759 10.180 208 2HB PRO 24 1HB PRO 24 -1.739 -8.209 10.684 209 1HG PRO 24 2HG PRO 24 -0.727 -10.976 10.268 210 2HG PRO 24 1HG PRO 24 -1.823 -10.347 11.509 211 1HD PRO 24 2HD PRO 24 -2.661 -11.741 9.318 212 2HD PRO 24 1HD PRO 24 -3.663 -10.544 10.167 213 H ARG 25 H ARG 25 -0.373 -7.173 7.097 214 HA ARG 25 HA ARG 25 1.744 -9.117 6.268 215 1HB ARG 25 2HB ARG 25 -0.445 -7.916 4.708 216 2HB ARG 25 1HB ARG 25 1.141 -7.657 3.984 217 1HG ARG 25 2HG ARG 25 1.258 -10.310 4.752 218 2HG ARG 25 1HG ARG 25 -0.417 -10.132 4.226 219 1HD ARG 25 2HD ARG 25 0.955 -8.747 2.263 220 2HD ARG 25 1HD ARG 25 2.047 -10.096 2.621 221 HE ARG 25 HE ARG 25 -0.722 -10.961 2.430 222 1HH1 ARG 25 1HH2 ARG 25 2.158 -10.164 0.644 223 2HH1 ARG 25 2HH2 ARG 25 1.715 -11.123 -0.727 224 1HH2 ARG 25 1HH1 ARG 25 -1.284 -12.210 0.637 225 2HH2 ARG 25 2HH1 ARG 25 -0.220 -12.285 -0.727 226 H TYR 26 H TYR 26 3.766 -8.074 5.907 227 HA TYR 26 HA TYR 26 4.091 -5.398 7.013 228 1HB TYR 26 2HB TYR 26 5.665 -7.491 6.977 229 2HB TYR 26 1HB TYR 26 6.119 -6.924 5.372 230 HD1 TYR 26 1HD TYR 26 8.325 -6.136 5.662 231 HD2 TYR 26 2HD TYR 26 5.255 -4.889 8.397 232 HE1 TYR 26 1HE TYR 26 9.897 -4.520 6.693 233 HE2 TYR 26 2HE TYR 26 6.828 -3.271 9.422 234 HH TYR 26 HH TYR 26 9.510 -2.187 8.067 235 H PHE 27 H PHE 27 3.147 -3.793 5.748 236 HA PHE 27 HA PHE 27 3.585 -3.821 2.800 237 1HB PHE 27 2HB PHE 27 1.658 -2.690 4.749 238 2HB PHE 27 1HB PHE 27 1.992 -1.682 3.342 239 HD1 PHE 27 1HD PHE 27 0.760 -2.046 1.405 240 HD2 PHE 27 2HD PHE 27 1.271 -5.271 4.196 241 HE1 PHE 27 1HE PHE 27 -0.727 -3.474 0.028 242 HE2 PHE 27 2HE PHE 27 -0.215 -6.699 2.816 243 HZ PHE 27 HZ PHE 27 -1.212 -5.800 0.734 244 H LEU 28 H LEU 28 4.738 -2.194 1.749 245 HA LEU 28 HA LEU 28 5.949 -0.017 3.417 246 1HB LEU 28 2HB LEU 28 7.303 -2.042 1.612 247 2HB LEU 28 1HB LEU 28 8.101 -0.567 2.153 248 HG LEU 28 HG LEU 28 7.179 -1.490 4.530 249 1HD1 LEU 28 1HD1 LEU 28 6.809 -3.668 2.741 250 2HD1 LEU 28 2HD1 LEU 28 6.633 -3.671 4.495 251 3HD1 LEU 28 3HD1 LEU 28 8.186 -4.074 3.766 252 1HD2 LEU 28 1HD2 LEU 28 9.744 -2.254 3.098 253 2HD2 LEU 28 2HD2 LEU 28 9.487 -2.443 4.832 254 3HD2 LEU 28 3HD2 LEU 28 9.484 -0.834 4.111 255 H LEU 29 H LEU 29 5.631 1.931 2.393 256 HA LEU 29 HA LEU 29 4.955 1.927 -0.519 257 1HB LEU 29 2HB LEU 29 3.767 3.104 1.639 258 2HB LEU 29 1HB LEU 29 4.817 4.413 1.099 259 HG LEU 29 HG LEU 29 2.803 2.928 -0.618 260 1HD1 LEU 29 1HD1 LEU 29 2.073 4.706 1.155 261 2HD1 LEU 29 2HD1 LEU 29 1.445 4.832 -0.488 262 3HD1 LEU 29 3HD1 LEU 29 2.778 5.865 0.028 263 1HD2 LEU 29 1HD2 LEU 29 4.835 5.081 -1.233 264 2HD2 LEU 29 2HD2 LEU 29 3.413 4.827 -2.243 265 3HD2 LEU 29 3HD2 LEU 29 4.602 3.538 -2.055 266 H LYS 30 H LYS 30 6.531 2.522 -1.940 267 HA LYS 30 HA LYS 30 9.062 3.681 -0.958 268 1HB LYS 30 2HB LYS 30 7.985 2.477 -3.490 269 2HB LYS 30 1HB LYS 30 9.468 3.428 -3.561 270 1HG LYS 30 2HG LYS 30 9.635 1.668 -1.305 271 2HG LYS 30 1HG LYS 30 9.161 0.722 -2.717 272 1HD LYS 30 2HD LYS 30 11.047 1.778 -3.990 273 2HD LYS 30 1HD LYS 30 11.563 2.559 -2.494 274 1HE LYS 30 2HE LYS 30 11.822 0.329 -1.425 275 2HE LYS 30 1HE LYS 30 11.352 -0.442 -2.953 276 1HZ LYS 30 1HZ LYS 30 13.506 1.583 -2.887 277 2HZ LYS 30 2HZ LYS 30 13.219 0.366 -4.041 278 3HZ LYS 30 3HZ LYS 30 13.843 -0.037 -2.514 279 H SER 31 H SER 31 10.025 5.555 -2.175 280 HA SER 31 HA SER 31 8.213 7.824 -2.227 281 1HB SER 31 2HB SER 31 10.828 7.480 -1.763 282 2HB SER 31 1HB SER 31 10.929 7.894 -3.472 283 HG SER 31 HG SER 31 9.757 9.787 -3.006 284 H ASP 32 H ASP 32 8.676 5.425 -4.542 285 HA ASP 32 HA ASP 32 8.523 7.196 -6.909 286 1HB ASP 32 2HB ASP 32 9.945 5.269 -7.036 287 2HB ASP 32 1HB ASP 32 8.690 4.217 -6.391 288 H GLY 33 H GLY 33 6.325 5.778 -4.706 289 1HA GLY 33 2HA GLY 33 3.942 6.133 -4.819 290 2HA GLY 33 1HA GLY 33 4.077 6.300 -6.572 291 H SER 34 H SER 34 5.418 3.739 -4.499 292 HA SER 34 HA SER 34 3.568 1.782 -5.807 293 1HB SER 34 2HB SER 34 5.810 0.351 -5.800 294 2HB SER 34 1HB SER 34 5.471 1.481 -7.106 295 HG SER 34 HG SER 34 7.063 2.698 -6.446 296 H PHE 35 H PHE 35 2.543 0.671 -4.210 297 HA PHE 35 HA PHE 35 3.736 0.517 -1.488 298 1HB PHE 35 2HB PHE 35 1.188 0.950 -2.552 299 2HB PHE 35 1HB PHE 35 1.113 -0.704 -1.951 300 HD1 PHE 35 1HD PHE 35 0.093 2.299 -0.986 301 HD2 PHE 35 2HD PHE 35 2.879 -0.672 0.381 302 HE1 PHE 35 1HE PHE 35 -0.138 3.151 1.330 303 HE2 PHE 35 2HE PHE 35 2.650 0.183 2.697 304 HZ PHE 35 HZ PHE 35 1.141 2.094 3.172 305 H ILE 36 H ILE 36 4.851 -1.325 -0.938 306 HA ILE 36 HA ILE 36 4.331 -3.824 -2.510 307 HB ILE 36 HB ILE 36 6.668 -2.620 -1.038 308 1HG1 ILE 36 2HG1 ILE 36 7.757 -3.534 -3.215 309 2HG1 ILE 36 1HG1 ILE 36 6.102 -3.744 -3.781 310 1HG2 ILE 36 1HG2 ILE 36 7.841 -4.846 -1.396 311 2HG2 ILE 36 2HG2 ILE 36 6.248 -5.554 -1.669 312 3HG2 ILE 36 3HG2 ILE 36 6.638 -4.833 -0.106 313 1HD1 ILE 36 1HD1 ILE 36 5.748 -1.499 -3.990 314 2HD1 ILE 36 2HD1 ILE 36 7.507 -1.442 -4.097 315 3HD1 ILE 36 3HD1 ILE 36 6.707 -1.112 -2.561 316 H GLY 37 H GLY 37 3.232 -5.425 -1.476 317 1HA GLY 37 2HA GLY 37 2.970 -5.297 1.496 318 2HA GLY 37 1HA GLY 37 1.833 -6.105 0.417 319 H TYR 38 H TYR 38 4.351 -6.639 2.541 320 HA TYR 38 HA TYR 38 5.290 -9.139 1.192 321 1HB TYR 38 2HB TYR 38 6.327 -7.147 3.093 322 2HB TYR 38 1HB TYR 38 6.661 -8.805 3.585 323 HD1 TYR 38 1HD TYR 38 8.585 -9.821 2.757 324 HD2 TYR 38 2HD TYR 38 6.731 -6.679 0.491 325 HE1 TYR 38 1HE TYR 38 10.423 -9.931 1.095 326 HE2 TYR 38 2HE TYR 38 8.567 -6.789 -1.170 327 HH TYR 38 HH TYR 38 10.807 -9.345 -1.271 328 H LYS 39 H LYS 39 4.827 -11.164 2.095 329 HA LYS 39 HA LYS 39 2.573 -11.587 3.764 330 1HB LYS 39 2HB LYS 39 4.959 -13.133 2.835 331 2HB LYS 39 1HB LYS 39 4.030 -13.822 4.167 332 1HG LYS 39 2HG LYS 39 1.996 -13.132 2.535 333 2HG LYS 39 1HG LYS 39 3.249 -13.414 1.326 334 1HD LYS 39 2HD LYS 39 2.147 -15.519 1.657 335 2HD LYS 39 1HD LYS 39 3.704 -15.636 2.478 336 1HE LYS 39 2HE LYS 39 2.183 -16.488 4.086 337 2HE LYS 39 1HE LYS 39 2.373 -14.795 4.583 338 1HZ LYS 39 1HZ LYS 39 0.460 -14.300 3.041 339 2HZ LYS 39 2HZ LYS 39 0.059 -15.174 4.440 340 3HZ LYS 39 3HZ LYS 39 0.194 -15.974 2.948 341 H GLU 40 H GLU 40 6.042 -11.556 4.598 342 HA GLU 40 HA GLU 40 5.348 -10.788 7.393 343 1HB GLU 40 2HB GLU 40 5.974 -13.382 6.608 344 2HB GLU 40 1HB GLU 40 7.522 -12.753 7.173 345 1HG GLU 40 2HG GLU 40 6.673 -12.282 9.334 346 2HG GLU 40 1HG GLU 40 4.999 -12.400 8.793 347 H ARG 41 H ARG 41 7.798 -10.587 8.496 348 HA ARG 41 HA ARG 41 9.052 -8.399 7.033 349 1HB ARG 41 2HB ARG 41 9.069 -9.590 9.690 350 2HB ARG 41 1HB ARG 41 10.709 -9.203 9.162 351 1HG ARG 41 2HG ARG 41 9.962 -6.914 8.564 352 2HG ARG 41 1HG ARG 41 8.347 -7.300 9.154 353 1HD ARG 41 2HD ARG 41 9.034 -7.365 11.394 354 2HD ARG 41 1HD ARG 41 10.734 -7.655 10.968 355 HE ARG 41 HE ARG 41 10.392 -5.253 9.809 356 1HH1 ARG 41 1HH2 ARG 41 9.331 -6.394 12.924 357 2HH1 ARG 41 2HH2 ARG 41 9.318 -4.813 13.625 358 1HH2 ARG 41 1HH1 ARG 41 10.368 -3.203 10.734 359 2HH2 ARG 41 2HH1 ARG 41 9.908 -3.014 12.394 360 HA PRO 42 HA PRO 42 12.635 -11.443 6.417 361 1HB PRO 42 2HB PRO 42 12.496 -13.974 7.437 362 2HB PRO 42 1HB PRO 42 13.091 -12.591 8.376 363 1HG PRO 42 2HG PRO 42 10.497 -13.997 8.523 364 2HG PRO 42 1HG PRO 42 11.406 -13.161 9.789 365 1HD PRO 42 2HD PRO 42 9.179 -12.165 8.429 366 2HD PRO 42 1HD PRO 42 10.310 -11.222 9.421 367 H GLU 43 H GLU 43 12.654 -12.201 4.315 368 HA GLU 43 HA GLU 43 10.606 -14.235 3.500 369 1HB GLU 43 2HB GLU 43 11.035 -11.461 2.630 370 2HB GLU 43 1HB GLU 43 10.951 -12.608 1.293 371 1HG GLU 43 2HG GLU 43 8.897 -12.358 3.512 372 2HG GLU 43 1HG GLU 43 8.708 -11.727 1.877 373 H ALA 44 H ALA 44 13.594 -14.309 4.094 374 HA ALA 44 HA ALA 44 14.386 -15.928 1.791 375 1HB ALA 44 1HB ALA 44 15.242 -14.160 0.653 376 2HB ALA 44 2HB ALA 44 16.495 -14.103 1.894 377 3HB ALA 44 3HB ALA 44 15.060 -13.090 2.043 378 HA PRO 45 HA PRO 45 17.000 -17.684 4.886 379 1HB PRO 45 2HB PRO 45 19.053 -18.669 3.365 380 2HB PRO 45 1HB PRO 45 17.436 -19.401 3.399 381 1HG PRO 45 2HG PRO 45 18.667 -17.626 1.359 382 2HG PRO 45 1HG PRO 45 17.567 -18.996 1.150 383 1HD PRO 45 2HD PRO 45 16.791 -16.367 1.019 384 2HD PRO 45 1HD PRO 45 15.705 -17.708 1.438 385 H ASP 46 H ASP 46 18.720 -15.690 2.461 386 HA ASP 46 HA ASP 46 20.484 -14.656 4.659 387 1HB ASP 46 2HB ASP 46 21.001 -15.297 1.740 388 2HB ASP 46 1HB ASP 46 22.115 -14.329 2.704 389 H GLN 47 H GLN 47 19.750 -13.670 1.283 390 HA GLN 47 HA GLN 47 18.381 -11.228 2.179 391 1HB GLN 47 2HB GLN 47 21.145 -11.233 2.105 392 2HB GLN 47 1HB GLN 47 20.725 -10.567 0.526 393 1HG GLN 47 2HG GLN 47 19.257 -9.545 2.924 394 2HG GLN 47 1HG GLN 47 20.913 -8.995 2.662 395 1HE2 GLN 47 1HE2 GLN 47 17.649 -8.486 1.719 396 2HE2 GLN 47 2HE2 GLN 47 17.953 -7.471 0.394 397 H THR 48 H THR 48 17.637 -13.411 0.463 398 HA THR 48 HA THR 48 17.473 -12.038 -2.197 399 HB THR 48 HB THR 48 18.878 -14.107 -2.051 400 HG1 THR 48 1HG THR 48 18.225 -14.215 -4.025 401 1HG2 THR 48 1HG2 THR 48 16.587 -15.047 -0.588 402 2HG2 THR 48 2HG2 THR 48 18.152 -15.828 -0.807 403 3HG2 THR 48 3HG2 THR 48 16.862 -16.093 -1.981 404 H LEU 49 H LEU 49 15.604 -11.265 -0.457 405 HA LEU 49 HA LEU 49 13.220 -13.018 -0.660 406 1HB LEU 49 2HB LEU 49 12.216 -11.171 0.770 407 2HB LEU 49 1HB LEU 49 13.598 -11.997 1.479 408 HG LEU 49 HG LEU 49 14.419 -9.704 -0.137 409 1HD1 LEU 49 1HD1 LEU 49 13.570 -8.046 1.613 410 2HD1 LEU 49 2HD1 LEU 49 12.452 -9.308 2.131 411 3HD1 LEU 49 3HD1 LEU 49 12.357 -8.664 0.492 412 1HD2 LEU 49 1HD2 LEU 49 14.741 -10.499 2.777 413 2HD2 LEU 49 2HD2 LEU 49 15.600 -9.168 2.004 414 3HD2 LEU 49 3HD2 LEU 49 15.881 -10.825 1.473 415 HA PRO 50 HA PRO 50 12.105 -10.646 -4.306 416 1HB PRO 50 2HB PRO 50 10.149 -12.357 -5.144 417 2HB PRO 50 1HB PRO 50 11.876 -12.662 -5.414 418 1HG PRO 50 2HG PRO 50 10.033 -13.863 -3.433 419 2HG PRO 50 1HG PRO 50 11.425 -14.574 -4.261 420 1HD PRO 50 2HD PRO 50 11.407 -13.650 -1.643 421 2HD PRO 50 1HD PRO 50 12.856 -13.932 -2.628 422 HA PRO 51 HA PRO 51 8.508 -8.563 -2.808 423 1HB PRO 51 2HB PRO 51 7.358 -7.691 -5.133 424 2HB PRO 51 1HB PRO 51 8.845 -6.987 -4.469 425 1HG PRO 51 2HG PRO 51 8.499 -8.931 -6.690 426 2HG PRO 51 1HG PRO 51 9.656 -7.602 -6.520 427 1HD PRO 51 2HD PRO 51 10.271 -10.240 -6.100 428 2HD PRO 51 1HD PRO 51 11.147 -8.881 -5.363 429 H LEU 52 H LEU 52 6.532 -9.331 -2.118 430 HA LEU 52 HA LEU 52 5.330 -11.651 -3.534 431 1HB LEU 52 2HB LEU 52 5.388 -10.486 -0.816 432 2HB LEU 52 1HB LEU 52 3.836 -11.184 -1.279 433 HG LEU 52 HG LEU 52 6.277 -12.766 -1.932 434 1HD1 LEU 52 1HD1 LEU 52 6.416 -13.693 0.322 435 2HD1 LEU 52 2HD1 LEU 52 5.132 -12.616 0.870 436 3HD1 LEU 52 3HD1 LEU 52 6.692 -11.953 0.384 437 1HD2 LEU 52 1HD2 LEU 52 4.749 -14.618 -1.325 438 2HD2 LEU 52 2HD2 LEU 52 4.015 -13.550 -2.520 439 3HD2 LEU 52 3HD2 LEU 52 3.530 -13.443 -0.828 440 H ASN 53 H ASN 53 4.101 -8.585 -2.090 441 HA ASN 53 HA ASN 53 1.951 -8.591 -4.191 442 1HB ASN 53 2HB ASN 53 1.825 -8.570 -1.390 443 2HB ASN 53 1HB ASN 53 1.522 -6.895 -1.848 444 1HD2 ASN 53 1HD2 ASN 53 0.040 -7.050 -4.161 445 2HD2 ASN 53 2HD2 ASN 53 -1.379 -7.948 -3.915 446 H ASN 54 H ASN 54 2.032 -6.878 -5.614 447 HA ASN 54 HA ASN 54 3.701 -4.500 -4.842 448 1HB ASN 54 2HB ASN 54 4.311 -6.320 -6.718 449 2HB ASN 54 1HB ASN 54 3.265 -5.286 -7.693 450 1HD2 ASN 54 1HD2 ASN 54 6.099 -5.062 -5.469 451 2HD2 ASN 54 2HD2 ASN 54 6.795 -3.731 -6.258 452 H PHE 55 H PHE 55 2.658 -2.555 -4.934 453 HA PHE 55 HA PHE 55 0.055 -2.388 -6.430 454 1HB PHE 55 2HB PHE 55 0.930 -1.242 -3.758 455 2HB PHE 55 1HB PHE 55 -0.566 -0.781 -4.567 456 HD1 PHE 55 1HD PHE 55 -2.203 -2.679 -5.220 457 HD2 PHE 55 2HD PHE 55 1.001 -3.169 -2.399 458 HE1 PHE 55 1HE PHE 55 -3.322 -4.690 -4.294 459 HE2 PHE 55 2HE PHE 55 -0.118 -5.178 -1.477 460 HZ PHE 55 HZ PHE 55 -2.279 -5.937 -2.426 461 H SER 56 H SER 56 0.058 -0.778 -7.971 462 HA SER 56 HA SER 56 2.250 1.259 -7.881 463 1HB SER 56 2HB SER 56 0.474 0.083 -10.029 464 2HB SER 56 1HB SER 56 1.397 1.555 -10.317 465 HG SER 56 HG SER 56 2.367 -1.009 -9.577 466 H VAL 57 H VAL 57 1.683 3.275 -7.198 467 HA VAL 57 HA VAL 57 -1.104 4.243 -7.712 468 HB VAL 57 HB VAL 57 -0.994 3.367 -5.437 469 1HG1 VAL 57 1HG1 VAL 57 1.372 3.391 -5.006 470 2HG1 VAL 57 2HG1 VAL 57 0.615 4.429 -3.799 471 3HG1 VAL 57 3HG1 VAL 57 1.446 5.144 -5.178 472 1HG2 VAL 57 1HG2 VAL 57 -0.730 6.337 -5.043 473 2HG2 VAL 57 2HG2 VAL 57 -1.888 5.218 -4.326 474 3HG2 VAL 57 3HG2 VAL 57 -2.055 5.697 -6.015 475 H ALA 58 H ALA 58 0.534 5.177 -9.477 476 HA ALA 58 HA ALA 58 2.160 7.457 -8.576 477 1HB ALA 58 1HB ALA 58 2.892 6.147 -10.469 478 2HB ALA 58 2HB ALA 58 2.391 7.716 -11.102 479 3HB ALA 58 3HB ALA 58 1.327 6.319 -11.264 480 H GLU 59 H GLU 59 -0.781 7.061 -10.600 481 HA GLU 59 HA GLU 59 -1.616 9.822 -9.769 482 1HB GLU 59 2HB GLU 59 -0.738 9.105 -12.243 483 2HB GLU 59 1HB GLU 59 -2.457 8.749 -12.415 484 1HG GLU 59 2HG GLU 59 -2.290 11.242 -11.078 485 2HG GLU 59 1HG GLU 59 -1.137 11.315 -12.411 486 H CYS 60 H CYS 60 -2.601 8.019 -8.135 487 HA CYS 60 HA CYS 60 -5.305 7.258 -9.201 488 1HB CYS 60 2HB CYS 60 -3.350 5.557 -8.448 489 2HB CYS 60 1HB CYS 60 -4.092 5.839 -6.874 490 H GLN 61 H GLN 61 -7.030 7.286 -7.540 491 HA GLN 61 HA GLN 61 -6.686 9.556 -5.654 492 1HB GLN 61 2HB GLN 61 -8.550 9.535 -7.239 493 2HB GLN 61 1HB GLN 61 -9.070 7.959 -6.644 494 1HG GLN 61 2HG GLN 61 -8.809 9.826 -4.445 495 2HG GLN 61 1HG GLN 61 -9.878 10.482 -5.684 496 1HE2 GLN 61 1HE2 GLN 61 -10.366 9.108 -2.906 497 2HE2 GLN 61 2HE2 GLN 61 -11.567 7.959 -3.259 498 H LEU 62 H LEU 62 -6.805 9.314 -3.425 499 HA LEU 62 HA LEU 62 -6.986 6.520 -2.355 500 1HB LEU 62 2HB LEU 62 -5.194 8.710 -2.014 501 2HB LEU 62 1HB LEU 62 -6.035 8.495 -0.481 502 HG LEU 62 HG LEU 62 -4.032 7.113 -0.492 503 1HD1 LEU 62 1HD1 LEU 62 -5.008 5.133 0.262 504 2HD1 LEU 62 2HD1 LEU 62 -6.231 5.132 -1.008 505 3HD1 LEU 62 3HD1 LEU 62 -6.369 6.249 0.350 506 1HD2 LEU 62 1HD2 LEU 62 -4.245 6.955 -3.141 507 2HD2 LEU 62 2HD2 LEU 62 -5.068 5.445 -2.752 508 3HD2 LEU 62 3HD2 LEU 62 -3.406 5.706 -2.222 509 H MET 63 H MET 63 -8.361 6.121 -0.544 510 HA MET 63 HA MET 63 -10.144 8.349 0.345 511 1HB MET 63 2HB MET 63 -11.101 7.052 -1.599 512 2HB MET 63 1HB MET 63 -11.083 5.616 -0.579 513 1HG MET 63 2HG MET 63 -13.302 6.624 -0.496 514 2HG MET 63 1HG MET 63 -12.519 6.817 1.072 515 1HE MET 63 1HE MET 63 -13.365 10.218 1.792 516 2HE MET 63 2HE MET 63 -12.879 8.594 2.275 517 3HE MET 63 3HE MET 63 -14.453 8.848 1.525 518 H LYS 64 H LYS 64 -10.651 8.208 2.522 519 HA LYS 64 HA LYS 64 -9.600 5.846 4.028 520 1HB LYS 64 2HB LYS 64 -9.621 7.402 5.940 521 2HB LYS 64 1HB LYS 64 -8.773 8.132 4.579 522 1HG LYS 64 2HG LYS 64 -11.464 8.855 4.218 523 2HG LYS 64 1HG LYS 64 -11.173 9.041 5.946 524 1HD LYS 64 2HD LYS 64 -9.056 10.073 4.128 525 2HD LYS 64 1HD LYS 64 -10.574 10.970 4.156 526 1HE LYS 64 2HE LYS 64 -9.209 10.179 6.736 527 2HE LYS 64 1HE LYS 64 -8.756 11.663 5.877 528 1HZ LYS 64 1HZ LYS 64 -10.964 12.456 5.962 529 2HZ LYS 64 2HZ LYS 64 -10.624 11.898 7.531 530 3HZ LYS 64 3HZ LYS 64 -11.576 10.961 6.482 531 H THR 65 H THR 65 -11.047 4.478 5.063 532 HA THR 65 HA THR 65 -13.823 5.422 5.590 533 HB THR 65 HB THR 65 -13.677 4.519 3.263 534 HG1 THR 65 1HG THR 65 -15.624 4.283 4.282 535 1HG2 THR 65 1HG2 THR 65 -13.114 1.848 4.566 536 2HG2 THR 65 2HG2 THR 65 -11.847 2.853 3.864 537 3HG2 THR 65 3HG2 THR 65 -13.142 2.228 2.844 538 H GLU 66 H GLU 66 -15.088 3.434 6.605 539 HA GLU 66 HA GLU 66 -13.257 1.961 8.475 540 1HB GLU 66 2HB GLU 66 -14.867 2.463 10.250 541 2HB GLU 66 1HB GLU 66 -14.386 3.966 9.465 542 1HG GLU 66 2HG GLU 66 -16.748 2.608 8.286 543 2HG GLU 66 1HG GLU 66 -16.978 3.274 9.901 544 H ARG 67 H ARG 67 -14.623 1.075 5.936 545 HA ARG 67 HA ARG 67 -16.210 -1.182 7.113 546 1HB ARG 67 2HB ARG 67 -16.993 0.934 5.305 547 2HB ARG 67 1HB ARG 67 -17.118 -0.619 4.480 548 1HG ARG 67 2HG ARG 67 -19.219 -0.346 5.544 549 2HG ARG 67 1HG ARG 67 -18.333 -1.450 6.594 550 1HD ARG 67 2HD ARG 67 -17.716 1.255 7.374 551 2HD ARG 67 1HD ARG 67 -19.476 1.053 7.317 552 HE ARG 67 HE ARG 67 -17.616 -0.427 9.070 553 1HH1 ARG 67 1HH2 ARG 67 -20.799 -0.184 7.665 554 2HH1 ARG 67 2HH2 ARG 67 -21.536 -1.169 8.879 555 1HH2 ARG 67 1HH1 ARG 67 -18.602 -1.710 10.644 556 2HH2 ARG 67 2HH1 ARG 67 -20.303 -2.028 10.557 557 HA PRO 68 HA PRO 68 -16.991 -3.017 6.514 558 1HB PRO 68 2HB PRO 68 -16.072 -5.509 7.161 559 2HB PRO 68 1HB PRO 68 -16.864 -5.142 5.617 560 1HG PRO 68 2HG PRO 68 -13.974 -5.453 6.236 561 2HG PRO 68 1HG PRO 68 -14.884 -5.961 4.805 562 1HD PRO 68 2HD PRO 68 -13.302 -3.734 4.892 563 2HD PRO 68 1HD PRO 68 -14.687 -3.922 3.799 564 H ARG 69 H ARG 69 -13.582 -2.939 7.361 565 HA ARG 69 HA ARG 69 -14.271 -3.043 10.277 566 1HB ARG 69 2HB ARG 69 -11.732 -3.544 8.699 567 2HB ARG 69 1HB ARG 69 -11.767 -3.479 10.458 568 1HG ARG 69 2HG ARG 69 -13.749 -5.260 9.101 569 2HG ARG 69 1HG ARG 69 -12.069 -5.789 9.143 570 1HD ARG 69 2HD ARG 69 -12.907 -6.683 11.154 571 2HD ARG 69 1HD ARG 69 -12.233 -5.141 11.704 572 HE ARG 69 HE ARG 69 -14.479 -4.187 11.674 573 1HH1 ARG 69 1HH2 ARG 69 -14.348 -7.617 11.051 574 2HH1 ARG 69 2HH2 ARG 69 -16.024 -7.851 11.389 575 1HH2 ARG 69 1HH1 ARG 69 -16.657 -4.520 12.095 576 2HH2 ARG 69 2HH1 ARG 69 -17.324 -6.114 11.979 577 HA PRO 70 HA PRO 70 -13.196 1.192 10.740 578 1HB PRO 70 2HB PRO 70 -11.813 1.212 13.107 579 2HB PRO 70 1HB PRO 70 -13.572 0.989 13.009 580 1HG PRO 70 2HG PRO 70 -11.424 -1.050 13.346 581 2HG PRO 70 1HG PRO 70 -13.009 -0.942 14.129 582 1HD PRO 70 2HD PRO 70 -12.506 -2.623 12.067 583 2HD PRO 70 1HD PRO 70 -14.103 -1.894 12.348 584 H ASN 71 H ASN 71 -11.373 2.722 10.690 585 HA ASN 71 HA ASN 71 -9.262 3.426 9.913 586 1HB ASN 71 2HB ASN 71 -8.565 0.867 11.391 587 2HB ASN 71 1HB ASN 71 -7.369 2.033 10.837 588 1HD2 ASN 71 1HD2 ASN 71 -8.117 1.275 13.663 589 2HD2 ASN 71 2HD2 ASN 71 -8.558 2.732 14.412 590 H THR 72 H THR 72 -10.500 2.574 7.780 591 HA THR 72 HA THR 72 -8.720 0.535 6.479 592 HB THR 72 HB THR 72 -11.675 1.141 6.221 593 HG1 THR 72 1HG THR 72 -10.082 -0.900 7.270 594 1HG2 THR 72 1HG2 THR 72 -9.842 -0.452 4.440 595 2HG2 THR 72 2HG2 THR 72 -11.079 0.718 3.984 596 3HG2 THR 72 3HG2 THR 72 -11.548 -0.872 4.587 597 H PHE 73 H PHE 73 -8.261 0.873 4.231 598 HA PHE 73 HA PHE 73 -8.647 3.689 3.259 599 1HB PHE 73 2HB PHE 73 -6.285 1.997 3.725 600 2HB PHE 73 1HB PHE 73 -6.314 2.715 2.115 601 HD1 PHE 73 1HD PHE 73 -7.353 5.309 2.289 602 HD2 PHE 73 2HD PHE 73 -5.041 3.225 5.248 603 HE1 PHE 73 1HE PHE 73 -6.621 7.476 3.242 604 HE2 PHE 73 2HE PHE 73 -4.309 5.391 6.201 605 HZ PHE 73 HZ PHE 73 -5.098 7.517 5.200 606 H VAL 74 H VAL 74 -9.154 3.875 1.048 607 HA VAL 74 HA VAL 74 -9.307 1.359 -0.574 608 HB VAL 74 HB VAL 74 -11.443 3.481 -0.144 609 1HG1 VAL 74 1HG1 VAL 74 -11.798 2.919 -2.369 610 2HG1 VAL 74 2HG1 VAL 74 -12.740 1.662 -1.569 611 3HG1 VAL 74 3HG1 VAL 74 -11.125 1.301 -2.178 612 1HG2 VAL 74 1HG2 VAL 74 -12.737 1.397 0.600 613 2HG2 VAL 74 2HG2 VAL 74 -11.457 1.939 1.685 614 3HG2 VAL 74 3HG2 VAL 74 -11.184 0.561 0.621 615 H ILE 75 H ILE 75 -8.190 1.723 -2.467 616 HA ILE 75 HA ILE 75 -7.920 4.557 -3.405 617 HB ILE 75 HB ILE 75 -5.818 3.501 -2.808 618 1HG1 ILE 75 2HG1 ILE 75 -5.957 3.332 -5.822 619 2HG1 ILE 75 1HG1 ILE 75 -6.046 4.876 -4.975 620 1HG2 ILE 75 1HG2 ILE 75 -5.052 1.433 -3.915 621 2HG2 ILE 75 2HG2 ILE 75 -6.605 1.297 -4.735 622 3HG2 ILE 75 3HG2 ILE 75 -6.518 1.148 -2.981 623 1HD1 ILE 75 1HD1 ILE 75 -3.872 3.317 -3.901 624 2HD1 ILE 75 2HD1 ILE 75 -3.816 4.895 -4.687 625 3HD1 ILE 75 3HD1 ILE 75 -3.713 3.424 -5.654 626 H ARG 76 H ARG 76 -9.102 5.069 -5.168 627 HA ARG 76 HA ARG 76 -9.785 2.902 -7.134 628 1HB ARG 76 2HB ARG 76 -11.671 3.643 -5.693 629 2HB ARG 76 1HB ARG 76 -11.413 5.304 -6.229 630 1HG ARG 76 2HG ARG 76 -11.644 4.228 -8.637 631 2HG ARG 76 1HG ARG 76 -12.506 2.966 -7.758 632 1HD ARG 76 2HD ARG 76 -14.348 4.286 -7.765 633 2HD ARG 76 1HD ARG 76 -13.468 5.456 -6.765 634 HE ARG 76 HE ARG 76 -12.816 5.545 -9.637 635 1HH1 ARG 76 1HH2 ARG 76 -14.743 6.791 -7.018 636 2HH1 ARG 76 2HH2 ARG 76 -15.099 8.273 -7.830 637 1HH2 ARG 76 1HH1 ARG 76 -13.302 7.482 -10.686 638 2HH2 ARG 76 2HH1 ARG 76 -14.299 8.661 -9.901 639 H CYS 77 H CYS 77 -8.748 3.330 -9.046 640 HA CYS 77 HA CYS 77 -7.715 6.004 -9.669 641 1HB CYS 77 2HB CYS 77 -7.483 3.226 -10.612 642 2HB CYS 77 1HB CYS 77 -7.419 4.414 -11.913 643 H LEU 78 H LEU 78 -8.253 7.106 -11.731 644 HA LEU 78 HA LEU 78 -11.069 7.502 -12.090 645 1HB LEU 78 2HB LEU 78 -10.307 8.902 -14.008 646 2HB LEU 78 1HB LEU 78 -9.366 9.204 -12.550 647 HG LEU 78 HG LEU 78 -8.090 7.070 -13.952 648 1HD1 LEU 78 1HD1 LEU 78 -8.441 9.505 -15.713 649 2HD1 LEU 78 2HD1 LEU 78 -9.433 8.059 -15.899 650 3HD1 LEU 78 3HD1 LEU 78 -7.687 7.965 -16.124 651 1HD2 LEU 78 1HD2 LEU 78 -7.218 9.966 -13.873 652 2HD2 LEU 78 2HD2 LEU 78 -6.206 8.522 -13.847 653 3HD2 LEU 78 3HD2 LEU 78 -7.179 8.943 -12.437 654 H GLN 79 H GLN 79 -12.502 6.285 -13.215 655 HA GLN 79 HA GLN 79 -11.675 4.862 -15.686 656 1HB GLN 79 2HB GLN 79 -12.322 3.650 -13.043 657 2HB GLN 79 1HB GLN 79 -13.035 2.866 -14.450 658 1HG GLN 79 2HG GLN 79 -11.059 1.948 -15.016 659 2HG GLN 79 1HG GLN 79 -10.261 3.520 -14.966 660 1HE2 GLN 79 1HE2 GLN 79 -11.643 1.205 -12.545 661 2HE2 GLN 79 2HE2 GLN 79 -10.335 1.333 -11.469 662 H TRP 80 H TRP 80 -14.402 5.023 -13.346 663 HA TRP 80 HA TRP 80 -16.190 5.817 -15.616 664 1HB TRP 80 2HB TRP 80 -16.541 3.697 -13.475 665 2HB TRP 80 1HB TRP 80 -17.893 4.308 -14.427 666 HD1 TRP 80 HD TRP 80 -15.269 1.742 -14.479 667 HE1 TRP 80 1HE TRP 80 -15.072 0.672 -16.815 668 HE3 TRP 80 3HE TRP 80 -18.029 5.064 -17.203 669 HZ2 TRP 80 2HZ TRP 80 -15.968 1.161 -19.489 670 HZ3 TRP 80 3HZ TRP 80 -18.341 4.739 -19.639 671 HH2 TRP 80 HH TRP 80 -17.315 2.793 -20.785 672 H THR 81 H THR 81 -17.489 5.205 -12.435 673 HA THR 81 HA THR 81 -17.250 8.049 -11.608 674 HB THR 81 HB THR 81 -19.915 6.641 -12.007 675 HG1 THR 81 1HG THR 81 -18.568 8.574 -13.587 676 1HG2 THR 81 1HG2 THR 81 -19.185 9.509 -11.350 677 2HG2 THR 81 2HG2 THR 81 -19.968 8.354 -10.271 678 3HG2 THR 81 3HG2 THR 81 -20.817 8.941 -11.702 679 H THR 82 H THR 82 -19.192 5.134 -10.810 680 HA THR 82 HA THR 82 -18.299 5.417 -7.959 681 HB THR 82 HB THR 82 -20.493 3.899 -7.776 682 HG1 THR 82 1HG THR 82 -21.361 3.694 -9.669 683 1HG2 THR 82 1HG2 THR 82 -20.250 6.106 -6.760 684 2HG2 THR 82 2HG2 THR 82 -21.819 5.988 -7.554 685 3HG2 THR 82 3HG2 THR 82 -20.507 6.879 -8.325 686 H VAL 83 H VAL 83 -16.525 4.120 -9.658 687 HA VAL 83 HA VAL 83 -17.037 1.195 -9.322 688 HB VAL 83 HB VAL 83 -16.489 2.115 -11.567 689 1HG1 VAL 83 1HG1 VAL 83 -13.873 2.712 -11.684 690 2HG1 VAL 83 2HG1 VAL 83 -14.195 3.264 -10.042 691 3HG1 VAL 83 3HG1 VAL 83 -15.102 3.942 -11.393 692 1HG2 VAL 83 1HG2 VAL 83 -15.615 -0.180 -10.569 693 2HG2 VAL 83 2HG2 VAL 83 -14.039 0.590 -10.749 694 3HG2 VAL 83 3HG2 VAL 83 -15.077 0.368 -12.158 695 H ILE 84 H ILE 84 -16.539 2.292 -6.899 696 HA ILE 84 HA ILE 84 -13.845 2.692 -6.080 697 HB ILE 84 HB ILE 84 -16.012 3.137 -4.833 698 1HG1 ILE 84 2HG1 ILE 84 -14.334 1.510 -2.987 699 2HG1 ILE 84 1HG1 ILE 84 -13.509 2.784 -3.885 700 1HG2 ILE 84 1HG2 ILE 84 -17.144 1.402 -3.703 701 2HG2 ILE 84 2HG2 ILE 84 -15.808 0.270 -3.914 702 3HG2 ILE 84 3HG2 ILE 84 -16.815 0.713 -5.293 703 1HD1 ILE 84 1HD1 ILE 84 -14.331 3.673 -1.758 704 2HD1 ILE 84 2HD1 ILE 84 -15.966 3.134 -2.142 705 3HD1 ILE 84 3HD1 ILE 84 -15.211 4.413 -3.094 706 H GLU 85 H GLU 85 -12.233 1.255 -5.370 707 HA GLU 85 HA GLU 85 -12.728 -1.628 -5.117 708 1HB GLU 85 2HB GLU 85 -11.220 -2.142 -7.081 709 2HB GLU 85 1HB GLU 85 -12.742 -1.378 -7.539 710 1HG GLU 85 2HG GLU 85 -11.634 0.809 -7.670 711 2HG GLU 85 1HG GLU 85 -10.112 0.089 -7.149 712 H ARG 86 H ARG 86 -10.329 -2.717 -5.156 713 HA ARG 86 HA ARG 86 -8.282 -2.901 -4.002 714 1HB ARG 86 2HB ARG 86 -8.140 -0.900 -5.787 715 2HB ARG 86 1HB ARG 86 -7.888 0.043 -4.317 716 1HG ARG 86 2HG ARG 86 -5.896 -1.030 -3.798 717 2HG ARG 86 1HG ARG 86 -6.348 -2.505 -4.650 718 1HD ARG 86 2HD ARG 86 -5.386 -1.791 -6.582 719 2HD ARG 86 1HD ARG 86 -6.149 -0.193 -6.454 720 HE ARG 86 HE ARG 86 -4.192 -0.280 -4.433 721 1HH1 ARG 86 1HH2 ARG 86 -4.307 -0.533 -7.903 722 2HH1 ARG 86 2HH2 ARG 86 -2.748 0.184 -8.124 723 1HH2 ARG 86 1HH1 ARG 86 -2.166 0.666 -4.739 724 2HH2 ARG 86 2HH1 ARG 86 -1.543 0.868 -6.343 725 H THR 87 H THR 87 -9.404 -3.275 -1.932 726 HA THR 87 HA THR 87 -9.446 -0.898 -0.104 727 HB THR 87 HB THR 87 -10.987 -2.419 1.228 728 HG1 THR 87 1HG THR 87 -10.427 -4.403 0.425 729 1HG2 THR 87 1HG2 THR 87 -12.401 -2.338 -1.302 730 2HG2 THR 87 2HG2 THR 87 -11.476 -0.859 -1.049 731 3HG2 THR 87 3HG2 THR 87 -12.660 -1.375 0.152 732 H PHE 88 H PHE 88 -8.162 -0.926 1.714 733 HA PHE 88 HA PHE 88 -6.865 -3.476 2.541 734 1HB PHE 88 2HB PHE 88 -4.828 -2.836 1.780 735 2HB PHE 88 1HB PHE 88 -5.655 -1.560 0.898 736 HD1 PHE 88 1HD PHE 88 -5.119 0.676 1.334 737 HD2 PHE 88 2HD PHE 88 -4.219 -2.317 4.279 738 HE1 PHE 88 1HE PHE 88 -3.926 2.371 2.692 739 HE2 PHE 88 2HE PHE 88 -3.032 -0.621 5.638 740 HZ PHE 88 HZ PHE 88 -2.881 1.723 4.845 741 H HIS 89 H HIS 89 -6.508 -3.567 4.774 742 HA HIS 89 HA HIS 89 -7.597 -1.281 6.373 743 1HB HIS 89 2HB HIS 89 -7.252 -4.257 6.834 744 2HB HIS 89 1HB HIS 89 -7.775 -3.153 8.104 745 HD1 HIS 89 1HD HIS 89 -10.038 -4.641 7.993 746 HD2 HIS 89 2HD HIS 89 -9.291 -2.218 4.689 747 HE1 HIS 89 1HE HIS 89 -12.230 -4.435 6.745 748 H VAL 90 H VAL 90 -6.449 -0.611 8.307 749 HA VAL 90 HA VAL 90 -3.519 -1.238 8.235 750 HB VAL 90 HB VAL 90 -3.293 0.926 9.429 751 1HG1 VAL 90 1HG1 VAL 90 -4.955 0.946 6.899 752 2HG1 VAL 90 2HG1 VAL 90 -3.198 1.025 7.029 753 3HG1 VAL 90 3HG1 VAL 90 -4.184 2.383 7.569 754 1HG2 VAL 90 1HG2 VAL 90 -6.076 1.753 8.940 755 2HG2 VAL 90 2HG2 VAL 90 -5.045 2.046 10.339 756 3HG2 VAL 90 3HG2 VAL 90 -5.913 0.520 10.190 757 H ASP 91 H ASP 91 -2.441 -1.520 10.340 758 HA ASP 91 HA ASP 91 -3.951 -3.219 12.152 759 1HB ASP 91 2HB ASP 91 -1.268 -2.687 11.461 760 2HB ASP 91 1HB ASP 91 -1.402 -2.287 13.173 761 H SER 92 H SER 92 -3.125 0.211 12.144 762 HA SER 92 HA SER 92 -4.624 0.519 14.708 763 1HB SER 92 2HB SER 92 -1.756 0.760 14.265 764 2HB SER 92 1HB SER 92 -2.434 2.268 14.872 765 HG SER 92 HG SER 92 -2.101 -0.148 16.111 766 HA PRO 93 HA PRO 93 -6.206 4.155 12.770 767 1HB PRO 93 2HB PRO 93 -6.469 5.854 14.910 768 2HB PRO 93 1HB PRO 93 -7.562 4.487 14.620 769 1HG PRO 93 2HG PRO 93 -5.240 4.691 16.480 770 2HG PRO 93 1HG PRO 93 -6.824 3.938 16.733 771 1HD PRO 93 2HD PRO 93 -4.603 2.500 16.162 772 2HD PRO 93 1HD PRO 93 -6.229 2.000 15.642 773 H ASP 94 H ASP 94 -3.507 4.605 15.054 774 HA ASP 94 HA ASP 94 -2.567 7.142 14.099 775 1HB ASP 94 2HB ASP 94 -1.412 4.758 15.548 776 2HB ASP 94 1HB ASP 94 -0.355 6.085 15.068 777 H GLU 95 H GLU 95 -2.019 3.787 13.064 778 HA GLU 95 HA GLU 95 0.072 4.277 11.148 779 1HB GLU 95 2HB GLU 95 -1.693 2.144 12.043 780 2HB GLU 95 1HB GLU 95 -1.537 2.118 10.288 781 1HG GLU 95 2HG GLU 95 0.370 0.948 10.711 782 2HG GLU 95 1HG GLU 95 1.059 2.540 11.021 783 H ARG 96 H ARG 96 -3.490 4.104 10.841 784 HA ARG 96 HA ARG 96 -3.752 4.521 8.055 785 1HB ARG 96 2HB ARG 96 -5.467 4.019 9.936 786 2HB ARG 96 1HB ARG 96 -5.539 5.770 10.145 787 1HG ARG 96 2HG ARG 96 -6.031 5.954 7.670 788 2HG ARG 96 1HG ARG 96 -6.190 4.197 7.639 789 1HD ARG 96 2HD ARG 96 -8.416 4.907 7.981 790 2HD ARG 96 1HD ARG 96 -7.863 4.588 9.637 791 HE ARG 96 HE ARG 96 -7.156 7.270 8.971 792 1HH1 ARG 96 1HH2 ARG 96 -9.962 5.295 9.551 793 2HH1 ARG 96 2HH2 ARG 96 -10.906 6.610 10.161 794 1HH2 ARG 96 1HH1 ARG 96 -8.390 8.968 9.777 795 2HH2 ARG 96 2HH1 ARG 96 -10.019 8.684 10.293 796 H GLU 97 H GLU 97 -3.372 6.915 10.680 797 HA GLU 97 HA GLU 97 -3.626 9.256 9.010 798 1HB GLU 97 2HB GLU 97 -2.236 8.751 11.665 799 2HB GLU 97 1HB GLU 97 -2.556 10.351 11.000 800 1HG GLU 97 2HG GLU 97 -4.567 8.280 11.906 801 2HG GLU 97 1HG GLU 97 -4.354 9.920 12.509 802 H GLU 98 H GLU 98 -0.845 7.254 10.011 803 HA GLU 98 HA GLU 98 1.189 8.970 8.882 804 1HB GLU 98 2HB GLU 98 1.454 7.134 10.609 805 2HB GLU 98 1HB GLU 98 1.244 5.966 9.303 806 1HG GLU 98 2HG GLU 98 3.232 6.657 8.209 807 2HG GLU 98 1HG GLU 98 3.321 8.154 9.135 808 H TRP 99 H TRP 99 -0.732 6.254 7.594 809 HA TRP 99 HA TRP 99 0.679 5.907 5.122 810 1HB TRP 99 2HB TRP 99 -2.228 5.515 5.909 811 2HB TRP 99 1HB TRP 99 -1.532 4.914 4.408 812 HD1 TRP 99 HD TRP 99 -2.519 3.506 7.419 813 HE1 TRP 99 1HE TRP 99 -1.044 1.561 8.211 814 HE3 TRP 99 3HE TRP 99 1.631 4.327 4.555 815 HZ2 TRP 99 2HZ TRP 99 1.549 0.484 7.703 816 HZ3 TRP 99 3HZ TRP 99 3.589 2.816 4.739 817 HH2 TRP 99 HH TRP 99 3.548 0.904 6.305 818 H MET 100 H MET 100 -2.114 7.972 5.991 819 HA MET 100 HA MET 100 -2.604 9.119 3.428 820 1HB MET 100 2HB MET 100 -4.062 9.285 5.428 821 2HB MET 100 1HB MET 100 -2.854 10.291 6.225 822 1HG MET 100 2HG MET 100 -3.477 11.354 3.602 823 2HG MET 100 1HG MET 100 -4.948 11.166 4.555 824 1HE MET 100 1HE MET 100 -5.421 12.927 6.897 825 2HE MET 100 2HE MET 100 -3.989 12.714 7.900 826 3HE MET 100 3HE MET 100 -4.684 11.328 7.063 827 H ARG 101 H ARG 101 -0.548 10.289 6.120 828 HA ARG 101 HA ARG 101 0.527 12.581 4.751 829 1HB ARG 101 2HB ARG 101 1.504 10.837 7.039 830 2HB ARG 101 1HB ARG 101 2.269 12.360 6.587 831 1HG ARG 101 2HG ARG 101 -0.693 12.264 7.114 832 2HG ARG 101 1HG ARG 101 0.439 12.373 8.461 833 1HD ARG 101 2HD ARG 101 0.928 14.251 6.201 834 2HD ARG 101 1HD ARG 101 -0.504 14.573 7.197 835 HE ARG 101 HE ARG 101 2.294 14.653 8.115 836 1HH1 ARG 101 1HH2 ARG 101 -1.077 14.442 8.964 837 2HH1 ARG 101 2HH2 ARG 101 -0.829 15.024 10.572 838 1HH2 ARG 101 1HH1 ARG 101 2.600 15.409 10.217 839 2HH2 ARG 101 2HH1 ARG 101 1.243 15.571 11.280 840 H ALA 102 H ALA 102 1.608 9.200 5.035 841 HA ALA 102 HA ALA 102 4.152 9.504 3.724 842 1HB ALA 102 1HB ALA 102 3.870 7.006 3.455 843 2HB ALA 102 2HB ALA 102 2.227 7.184 4.068 844 3HB ALA 102 3HB ALA 102 3.600 7.582 5.100 845 H ILE 103 H ILE 103 0.907 8.604 2.505 846 HA ILE 103 HA ILE 103 1.604 8.060 -0.199 847 HB ILE 103 HB ILE 103 -0.874 9.138 1.177 848 1HG1 ILE 103 2HG1 ILE 103 -0.536 6.459 -0.153 849 2HG1 ILE 103 1HG1 ILE 103 0.141 6.729 1.453 850 1HG2 ILE 103 1HG2 ILE 103 -1.969 8.263 -1.042 851 2HG2 ILE 103 2HG2 ILE 103 -0.375 8.554 -1.735 852 3HG2 ILE 103 3HG2 ILE 103 -1.276 9.885 -1.009 853 1HD1 ILE 103 1HD1 ILE 103 -2.673 6.443 0.625 854 2HD1 ILE 103 2HD1 ILE 103 -2.377 7.782 1.736 855 3HD1 ILE 103 3HD1 ILE 103 -1.924 6.139 2.192 856 H GLN 104 H GLN 104 0.755 11.159 1.383 857 HA GLN 104 HA GLN 104 0.874 12.768 -1.017 858 1HB GLN 104 2HB GLN 104 0.251 13.066 1.710 859 2HB GLN 104 1HB GLN 104 1.619 14.146 1.441 860 1HG GLN 104 2HG GLN 104 -0.365 14.255 -0.718 861 2HG GLN 104 1HG GLN 104 -1.022 14.730 0.847 862 1HE2 GLN 104 1HE2 GLN 104 1.689 15.441 -1.407 863 2HE2 GLN 104 2HE2 GLN 104 1.917 17.034 -0.865 864 H MET 105 H MET 105 3.292 11.907 1.468 865 HA MET 105 HA MET 105 5.426 13.582 0.526 866 1HB MET 105 2HB MET 105 5.068 12.165 2.705 867 2HB MET 105 1HB MET 105 5.804 10.862 1.773 868 1HG MET 105 2HG MET 105 7.870 11.780 1.918 869 2HG MET 105 1HG MET 105 7.265 13.396 1.551 870 1HE MET 105 1HE MET 105 9.030 14.094 2.782 871 2HE MET 105 2HE MET 105 9.251 14.116 4.530 872 3HE MET 105 3HE MET 105 8.082 15.202 3.783 873 H VAL 106 H VAL 106 4.425 10.268 -0.322 874 HA VAL 106 HA VAL 106 6.642 9.633 -2.044 875 HB VAL 106 HB VAL 106 3.750 8.712 -1.874 876 1HG1 VAL 106 1HG1 VAL 106 6.018 7.815 -3.635 877 2HG1 VAL 106 2HG1 VAL 106 4.320 8.053 -4.046 878 3HG1 VAL 106 3HG1 VAL 106 4.810 6.652 -3.094 879 1HG2 VAL 106 1HG2 VAL 106 4.582 6.922 -0.565 880 2HG2 VAL 106 2HG2 VAL 106 5.458 8.330 0.034 881 3HG2 VAL 106 3HG2 VAL 106 6.246 7.209 -1.074 882 H ALA 107 H ALA 107 3.434 11.074 -2.659 883 HA ALA 107 HA ALA 107 3.598 11.285 -5.500 884 1HB ALA 107 1HB ALA 107 1.585 11.576 -4.043 885 2HB ALA 107 2HB ALA 107 1.787 12.891 -5.200 886 3HB ALA 107 3HB ALA 107 2.238 13.125 -3.511 887 H ASN 108 H ASN 108 4.915 13.336 -2.920 888 HA ASN 108 HA ASN 108 5.528 15.673 -4.429 889 1HB ASN 108 2HB ASN 108 6.444 14.329 -1.938 890 2HB ASN 108 1HB ASN 108 7.551 15.521 -2.617 891 1HD2 ASN 108 1HD2 ASN 108 4.572 15.123 -0.868 892 2HD2 ASN 108 2HD2 ASN 108 4.159 16.766 -0.795 893 H SER 109 H SER 109 7.441 12.685 -3.910 894 HA SER 109 HA SER 109 9.564 13.596 -5.756 895 1HB SER 109 2HB SER 109 9.716 12.137 -3.587 896 2HB SER 109 1HB SER 109 9.188 10.820 -4.631 897 HG SER 109 HG SER 109 11.495 11.057 -4.502 898 H LEU 110 H LEU 110 6.890 11.265 -5.677 899 HA LEU 110 HA LEU 110 7.367 9.922 -8.151 900 1HB LEU 110 2HB LEU 110 5.864 9.097 -6.440 901 2HB LEU 110 1HB LEU 110 4.898 10.563 -6.504 902 HG LEU 110 HG LEU 110 4.023 8.421 -7.701 903 1HD1 LEU 110 1HD1 LEU 110 3.555 11.108 -8.015 904 2HD1 LEU 110 2HD1 LEU 110 2.618 9.826 -8.780 905 3HD1 LEU 110 3HD1 LEU 110 3.927 10.608 -9.664 906 1HD2 LEU 110 1HD2 LEU 110 6.433 8.482 -8.951 907 2HD2 LEU 110 2HD2 LEU 110 5.458 9.385 -10.110 908 3HD2 LEU 110 3HD2 LEU 110 4.995 7.747 -9.654 909 H LYS 111 H LYS 111 5.467 12.851 -7.387 910 HA LYS 111 HA LYS 111 4.713 14.613 -8.740 911 1HB LYS 111 2HB LYS 111 6.730 13.378 -10.652 912 2HB LYS 111 1HB LYS 111 6.018 14.981 -10.826 913 1HG LYS 111 2HG LYS 111 6.973 14.908 -8.188 914 2HG LYS 111 1HG LYS 111 8.233 14.133 -9.146 915 1HD LYS 111 2HD LYS 111 8.785 16.428 -9.238 916 2HD LYS 111 1HD LYS 111 7.961 16.129 -10.767 917 1HE LYS 111 2HE LYS 111 6.182 17.455 -10.207 918 2HE LYS 111 1HE LYS 111 6.174 16.889 -8.524 919 1HZ LYS 111 1HZ LYS 111 7.995 18.265 -7.990 920 2HZ LYS 111 2HZ LYS 111 6.935 19.256 -8.874 921 3HZ LYS 111 3HZ LYS 111 8.324 18.619 -9.618 Start of MODEL 12 1 1H MET 1 1H MET 1 19.195 -1.172 -11.749 2 2H MET 1 2H MET 1 20.292 -0.183 -10.911 3 3H MET 1 3H MET 1 20.585 -0.593 -12.533 4 HA MET 1 HA MET 1 19.756 1.697 -12.340 5 1HB MET 1 2HB MET 1 18.427 -0.570 -13.747 6 2HB MET 1 1HB MET 1 17.590 0.982 -13.803 7 1HG MET 1 2HG MET 1 19.815 2.008 -14.521 8 2HG MET 1 1HG MET 1 20.397 0.358 -14.746 9 1HE MET 1 1HE MET 1 19.122 -1.396 -15.942 10 2HE MET 1 2HE MET 1 20.253 -0.743 -17.123 11 3HE MET 1 3HE MET 1 18.600 -1.112 -17.607 12 H ASN 2 H ASN 2 17.546 2.876 -12.196 13 HA ASN 2 HA ASN 2 15.691 3.568 -10.917 14 1HB ASN 2 2HB ASN 2 15.093 1.155 -11.705 15 2HB ASN 2 1HB ASN 2 15.425 0.695 -10.034 16 1HD2 ASN 2 1HD2 ASN 2 13.876 1.291 -8.418 17 2HD2 ASN 2 2HD2 ASN 2 12.425 2.092 -8.784 18 H GLU 3 H GLU 3 16.706 4.800 -9.305 19 HA GLU 3 HA GLU 3 17.747 3.391 -6.888 20 1HB GLU 3 2HB GLU 3 18.752 5.410 -8.417 21 2HB GLU 3 1HB GLU 3 17.915 6.344 -7.178 22 1HG GLU 3 2HG GLU 3 19.516 5.879 -5.665 23 2HG GLU 3 1HG GLU 3 19.354 4.148 -5.962 24 H VAL 4 H VAL 4 15.526 2.868 -6.120 25 HA VAL 4 HA VAL 4 14.078 5.257 -5.017 26 HB VAL 4 HB VAL 4 13.155 2.526 -5.957 27 1HG1 VAL 4 1HG1 VAL 4 11.615 4.702 -4.513 28 2HG1 VAL 4 2HG1 VAL 4 11.905 3.059 -3.943 29 3HG1 VAL 4 3HG1 VAL 4 10.863 3.337 -5.338 30 1HG2 VAL 4 1HG2 VAL 4 12.508 5.361 -6.836 31 2HG2 VAL 4 2HG2 VAL 4 11.780 3.901 -7.508 32 3HG2 VAL 4 3HG2 VAL 4 13.504 4.204 -7.721 33 H SER 5 H SER 5 14.444 5.421 -2.846 34 HA SER 5 HA SER 5 15.209 3.033 -1.263 35 1HB SER 5 2HB SER 5 15.060 6.013 -0.728 36 2HB SER 5 1HB SER 5 15.561 4.839 0.486 37 HG SER 5 HG SER 5 17.401 5.520 -0.525 38 H VAL 6 H VAL 6 14.130 2.813 0.951 39 HA VAL 6 HA VAL 6 11.200 2.846 0.603 40 HB VAL 6 HB VAL 6 13.056 1.822 2.774 41 1HG1 VAL 6 1HG1 VAL 6 11.020 0.526 3.492 42 2HG1 VAL 6 2HG1 VAL 6 10.065 1.510 2.384 43 3HG1 VAL 6 3HG1 VAL 6 10.881 2.265 3.753 44 1HG2 VAL 6 1HG2 VAL 6 13.394 0.485 0.860 45 2HG2 VAL 6 2HG2 VAL 6 11.706 0.605 0.366 46 3HG2 VAL 6 3HG2 VAL 6 12.151 -0.395 1.748 47 H ILE 7 H ILE 7 9.808 4.224 1.669 48 HA ILE 7 HA ILE 7 11.020 6.412 3.289 49 HB ILE 7 HB ILE 7 8.661 6.010 1.507 50 1HG1 ILE 7 2HG1 ILE 7 9.299 8.279 0.784 51 2HG1 ILE 7 1HG1 ILE 7 10.475 8.374 2.096 52 1HG2 ILE 7 1HG2 ILE 7 7.474 6.661 3.511 53 2HG2 ILE 7 2HG2 ILE 7 7.578 8.077 2.466 54 3HG2 ILE 7 3HG2 ILE 7 8.653 7.927 3.858 55 1HD1 ILE 7 1HD1 ILE 7 11.823 6.651 1.144 56 2HD1 ILE 7 2HD1 ILE 7 11.403 7.720 -0.193 57 3HD1 ILE 7 3HD1 ILE 7 10.555 6.187 0.010 58 H LYS 8 H LYS 8 8.462 3.902 3.466 59 HA LYS 8 HA LYS 8 8.622 3.988 6.416 60 1HB LYS 8 2HB LYS 8 6.631 5.416 4.852 61 2HB LYS 8 1HB LYS 8 5.864 4.233 5.909 62 1HG LYS 8 2HG LYS 8 7.915 6.271 6.823 63 2HG LYS 8 1HG LYS 8 6.172 6.456 7.007 64 1HD LYS 8 2HD LYS 8 6.020 4.781 8.608 65 2HD LYS 8 1HD LYS 8 7.464 3.952 8.030 66 1HE LYS 8 2HE LYS 8 7.840 6.713 9.109 67 2HE LYS 8 1HE LYS 8 7.510 5.418 10.276 68 1HZ LYS 8 1HZ LYS 8 9.897 5.632 9.746 69 2HZ LYS 8 2HZ LYS 8 9.559 5.265 8.122 70 3HZ LYS 8 3HZ LYS 8 9.276 4.109 9.337 71 H GLU 9 H GLU 9 8.032 2.029 7.304 72 HA GLU 9 HA GLU 9 6.701 0.011 5.518 73 1HB GLU 9 2HB GLU 9 8.931 -0.348 7.555 74 2HB GLU 9 1HB GLU 9 8.193 -1.646 6.618 75 1HG GLU 9 2HG GLU 9 9.769 -1.253 5.052 76 2HG GLU 9 1HG GLU 9 8.907 0.244 4.693 77 H GLY 10 H GLY 10 5.104 -1.265 6.556 78 1HA GLY 10 2HA GLY 10 4.800 -1.282 9.450 79 2HA GLY 10 1HA GLY 10 3.611 -0.251 8.662 80 H TRP 11 H TRP 11 2.637 -2.388 10.043 81 HA TRP 11 HA TRP 11 2.210 -4.634 8.139 82 1HB TRP 11 2HB TRP 11 1.640 -4.078 11.052 83 2HB TRP 11 1HB TRP 11 0.905 -5.458 10.238 84 HD1 TRP 11 HD TRP 11 4.222 -4.132 11.503 85 HE1 TRP 11 1HE TRP 11 5.982 -6.010 11.397 86 HE3 TRP 11 3HE TRP 11 1.591 -7.665 8.918 87 HZ2 TRP 11 2HZ TRP 11 6.244 -8.660 10.354 88 HZ3 TRP 11 3HZ TRP 11 2.622 -9.856 8.381 89 HH2 TRP 11 HH TRP 11 4.943 -10.355 9.095 90 H LEU 12 H LEU 12 0.295 -4.896 7.024 91 HA LEU 12 HA LEU 12 -2.015 -3.113 7.747 92 1HB LEU 12 2HB LEU 12 -0.915 -3.850 5.014 93 2HB LEU 12 1HB LEU 12 -2.381 -2.911 5.281 94 HG LEU 12 HG LEU 12 0.339 -2.095 6.345 95 1HD1 LEU 12 1HD1 LEU 12 -0.168 -2.203 3.716 96 2HD1 LEU 12 2HD1 LEU 12 0.745 -0.876 4.431 97 3HD1 LEU 12 3HD1 LEU 12 -0.969 -0.673 4.069 98 1HD2 LEU 12 1HD2 LEU 12 -2.409 -1.090 6.576 99 2HD2 LEU 12 2HD2 LEU 12 -1.276 0.137 6.011 100 3HD2 LEU 12 3HD2 LEU 12 -0.987 -0.693 7.540 101 H HIS 13 H HIS 13 -4.115 -4.020 7.259 102 HA HIS 13 HA HIS 13 -4.129 -7.008 7.144 103 1HB HIS 13 2HB HIS 13 -5.697 -4.855 8.408 104 2HB HIS 13 1HB HIS 13 -6.690 -6.134 7.707 105 HD1 HIS 13 1HD HIS 13 -6.837 -8.299 8.991 106 HD2 HIS 13 2HD HIS 13 -3.703 -5.895 10.324 107 HE1 HIS 13 1HE HIS 13 -5.897 -9.425 11.055 108 H LYS 14 H LYS 14 -4.681 -7.941 5.214 109 HA LYS 14 HA LYS 14 -6.431 -6.388 3.329 110 1HB LYS 14 2HB LYS 14 -3.868 -6.803 2.873 111 2HB LYS 14 1HB LYS 14 -4.404 -8.426 2.440 112 1HG LYS 14 2HG LYS 14 -6.239 -6.949 1.088 113 2HG LYS 14 1HG LYS 14 -4.863 -5.848 1.042 114 1HD LYS 14 2HD LYS 14 -4.548 -7.169 -0.880 115 2HD LYS 14 1HD LYS 14 -3.499 -7.939 0.309 116 1HE LYS 14 2HE LYS 14 -5.360 -9.549 0.834 117 2HE LYS 14 1HE LYS 14 -6.286 -8.838 -0.502 118 1HZ LYS 14 1HZ LYS 14 -4.653 -9.451 -2.053 119 2HZ LYS 14 2HZ LYS 14 -4.842 -10.827 -1.072 120 3HZ LYS 14 3HZ LYS 14 -3.504 -9.803 -0.853 121 H ARG 15 H ARG 15 -8.215 -7.501 2.577 122 HA ARG 15 HA ARG 15 -9.039 -9.979 3.785 123 1HB ARG 15 2HB ARG 15 -10.449 -8.084 2.824 124 2HB ARG 15 1HB ARG 15 -10.048 -8.705 1.223 125 1HG ARG 15 2HG ARG 15 -11.918 -9.975 1.500 126 2HG ARG 15 1HG ARG 15 -10.863 -10.994 2.476 127 1HD ARG 15 2HD ARG 15 -12.615 -10.621 3.982 128 2HD ARG 15 1HD ARG 15 -11.544 -9.269 4.396 129 HE ARG 15 HE ARG 15 -13.070 -7.788 3.350 130 1HH1 ARG 15 1HH2 ARG 15 -13.760 -11.096 2.532 131 2HH1 ARG 15 2HH2 ARG 15 -15.241 -10.711 1.728 132 1HH2 ARG 15 1HH1 ARG 15 -15.002 -7.292 2.298 133 2HH2 ARG 15 2HH1 ARG 15 -15.947 -8.560 1.591 134 H GLY 16 H GLY 16 -9.079 -12.095 2.880 135 1HA GLY 16 2HA GLY 16 -6.923 -12.845 1.170 136 2HA GLY 16 1HA GLY 16 -8.292 -13.881 1.572 137 H GLU 17 H GLU 17 -10.335 -13.448 0.319 138 HA GLU 17 HA GLU 17 -10.193 -11.958 -2.186 139 1HB GLU 17 2HB GLU 17 -8.732 -13.907 -2.652 140 2HB GLU 17 1HB GLU 17 -10.041 -14.996 -2.198 141 1HG GLU 17 2HG GLU 17 -10.006 -14.820 -4.617 142 2HG GLU 17 1HG GLU 17 -11.437 -13.976 -4.025 143 H TYR 18 H TYR 18 -11.738 -14.948 -0.957 144 HA TYR 18 HA TYR 18 -14.410 -13.721 -1.535 145 1HB TYR 18 2HB TYR 18 -15.160 -16.080 -1.763 146 2HB TYR 18 1HB TYR 18 -13.831 -15.716 -2.861 147 HD1 TYR 18 1HD TYR 18 -11.658 -16.744 -2.595 148 HD2 TYR 18 2HD TYR 18 -14.764 -17.418 0.297 149 HE1 TYR 18 1HE TYR 18 -10.327 -18.578 -1.590 150 HE2 TYR 18 2HE TYR 18 -13.430 -19.250 1.302 151 HH TYR 18 HH TYR 18 -11.394 -20.883 0.157 152 H ILE 19 H ILE 19 -12.431 -15.304 0.938 153 HA ILE 19 HA ILE 19 -14.562 -15.765 2.841 154 HB ILE 19 HB ILE 19 -12.222 -16.809 2.699 155 1HG1 ILE 19 2HG1 ILE 19 -12.881 -15.655 5.420 156 2HG1 ILE 19 1HG1 ILE 19 -13.853 -16.924 4.674 157 1HG2 ILE 19 1HG2 ILE 19 -11.331 -14.466 4.365 158 2HG2 ILE 19 2HG2 ILE 19 -11.197 -14.396 2.607 159 3HG2 ILE 19 3HG2 ILE 19 -10.352 -15.656 3.506 160 1HD1 ILE 19 1HD1 ILE 19 -12.377 -18.287 5.774 161 2HD1 ILE 19 2HD1 ILE 19 -11.108 -17.063 5.803 162 3HD1 ILE 19 3HD1 ILE 19 -11.398 -17.998 4.336 163 H LYS 20 H LYS 20 -15.111 -14.474 4.687 164 HA LYS 20 HA LYS 20 -14.727 -11.567 4.298 165 1HB LYS 20 2HB LYS 20 -16.807 -13.186 5.056 166 2HB LYS 20 1HB LYS 20 -16.241 -12.602 6.619 167 1HG LYS 20 2HG LYS 20 -16.523 -10.592 4.429 168 2HG LYS 20 1HG LYS 20 -18.006 -11.221 5.147 169 1HD LYS 20 2HD LYS 20 -15.702 -10.030 6.723 170 2HD LYS 20 1HD LYS 20 -17.177 -9.164 6.297 171 1HE LYS 20 2HE LYS 20 -18.189 -10.027 8.131 172 2HE LYS 20 1HE LYS 20 -17.949 -11.659 7.481 173 1HZ LYS 20 1HZ LYS 20 -16.719 -11.662 9.447 174 2HZ LYS 20 2HZ LYS 20 -16.139 -10.083 9.211 175 3HZ LYS 20 3HZ LYS 20 -15.543 -11.362 8.258 176 H THR 21 H THR 21 -12.267 -12.428 4.926 177 HA THR 21 HA THR 21 -11.892 -11.554 7.757 178 HB THR 21 HB THR 21 -10.511 -13.939 6.486 179 HG1 THR 21 1HG THR 21 -12.696 -13.865 8.299 180 1HG2 THR 21 1HG2 THR 21 -9.935 -14.442 8.857 181 2HG2 THR 21 2HG2 THR 21 -10.690 -12.922 9.334 182 3HG2 THR 21 3HG2 THR 21 -9.259 -12.911 8.304 183 H TRP 22 H TRP 22 -9.896 -10.456 8.081 184 HA TRP 22 HA TRP 22 -8.386 -9.786 5.580 185 1HB TRP 22 2HB TRP 22 -8.901 -8.277 8.166 186 2HB TRP 22 1HB TRP 22 -7.842 -7.688 6.885 187 HD1 TRP 22 HD TRP 22 -11.521 -8.724 7.421 188 HE1 TRP 22 1HE TRP 22 -12.982 -7.411 5.756 189 HE3 TRP 22 3HE TRP 22 -7.891 -6.273 4.805 190 HZ2 TRP 22 2HZ TRP 22 -12.655 -5.559 3.597 191 HZ3 TRP 22 3HZ TRP 22 -8.491 -4.742 2.954 192 HH2 TRP 22 HH TRP 22 -10.866 -4.382 2.345 193 H ARG 23 H ARG 23 -6.203 -10.260 5.544 194 HA ARG 23 HA ARG 23 -5.004 -11.437 8.021 195 1HB ARG 23 2HB ARG 23 -5.011 -12.028 5.162 196 2HB ARG 23 1HB ARG 23 -3.374 -11.975 5.813 197 1HG ARG 23 2HG ARG 23 -3.757 -13.728 7.298 198 2HG ARG 23 1HG ARG 23 -5.499 -13.452 7.334 199 1HD ARG 23 2HD ARG 23 -4.136 -14.347 4.787 200 2HD ARG 23 1HD ARG 23 -4.660 -15.520 6.011 201 HE ARG 23 HE ARG 23 -6.809 -13.711 5.589 202 1HH1 ARG 23 1HH2 ARG 23 -5.022 -16.169 3.896 203 2HH1 ARG 23 2HH2 ARG 23 -6.355 -16.609 2.884 204 1HH2 ARG 23 1HH1 ARG 23 -8.539 -14.292 4.270 205 2HH2 ARG 23 2HH1 ARG 23 -8.342 -15.547 3.094 206 HA PRO 24 HA PRO 24 -2.363 -7.874 8.183 207 1HB PRO 24 2HB PRO 24 -0.607 -8.809 10.058 208 2HB PRO 24 1HB PRO 24 -2.242 -8.248 10.459 209 1HG PRO 24 2HG PRO 24 -1.209 -11.017 10.181 210 2HG PRO 24 1HG PRO 24 -2.408 -10.365 11.306 211 1HD PRO 24 2HD PRO 24 -3.021 -11.812 9.055 212 2HD PRO 24 1HD PRO 24 -4.126 -10.666 9.842 213 H ARG 25 H ARG 25 -0.672 -7.329 6.854 214 HA ARG 25 HA ARG 25 1.448 -9.362 6.250 215 1HB ARG 25 2HB ARG 25 -0.073 -7.615 4.279 216 2HB ARG 25 1HB ARG 25 1.238 -8.715 3.862 217 1HG ARG 25 2HG ARG 25 -1.041 -9.887 5.383 218 2HG ARG 25 1HG ARG 25 -1.364 -9.423 3.715 219 1HD ARG 25 2HD ARG 25 -0.574 -11.575 3.364 220 2HD ARG 25 1HD ARG 25 0.973 -10.706 3.322 221 HE ARG 25 HE ARG 25 0.922 -11.142 5.913 222 1HH1 ARG 25 1HH2 ARG 25 -0.315 -13.300 3.467 223 2HH1 ARG 25 2HH2 ARG 25 -0.073 -14.710 4.434 224 1HH2 ARG 25 1HH1 ARG 25 1.223 -12.982 7.148 225 2HH2 ARG 25 2HH1 ARG 25 0.796 -14.533 6.508 226 H TYR 26 H TYR 26 3.525 -8.417 6.066 227 HA TYR 26 HA TYR 26 3.847 -5.694 7.062 228 1HB TYR 26 2HB TYR 26 5.347 -7.691 7.491 229 2HB TYR 26 1HB TYR 26 5.896 -7.556 5.820 230 HD1 TYR 26 1HD TYR 26 5.207 -5.125 8.607 231 HD2 TYR 26 2HD TYR 26 7.970 -6.521 5.628 232 HE1 TYR 26 1HE TYR 26 6.817 -3.364 9.275 233 HE2 TYR 26 2HE TYR 26 9.580 -4.760 6.298 234 HH TYR 26 HH TYR 26 9.919 -3.388 8.678 235 H PHE 27 H PHE 27 3.548 -3.946 5.746 236 HA PHE 27 HA PHE 27 4.074 -4.210 2.815 237 1HB PHE 27 2HB PHE 27 2.328 -2.595 4.611 238 2HB PHE 27 1HB PHE 27 2.876 -1.812 3.130 239 HD1 PHE 27 1HD PHE 27 0.978 -4.676 4.511 240 HD2 PHE 27 2HD PHE 27 2.121 -2.548 0.962 241 HE1 PHE 27 1HE PHE 27 -0.736 -5.916 3.217 242 HE2 PHE 27 2HE PHE 27 0.411 -3.787 -0.334 243 HZ PHE 27 HZ PHE 27 -1.020 -5.471 0.792 244 H LEU 28 H LEU 28 5.499 -2.790 1.762 245 HA LEU 28 HA LEU 28 7.180 -1.011 3.515 246 1HB LEU 28 2HB LEU 28 7.819 -2.964 1.304 247 2HB LEU 28 1HB LEU 28 8.918 -1.628 1.643 248 HG LEU 28 HG LEU 28 8.478 -2.567 4.166 249 1HD1 LEU 28 1HD1 LEU 28 8.648 -5.038 2.424 250 2HD1 LEU 28 2HD1 LEU 28 7.128 -4.456 3.102 251 3HD1 LEU 28 3HD1 LEU 28 8.435 -4.960 4.173 252 1HD2 LEU 28 1HD2 LEU 28 10.543 -3.273 2.078 253 2HD2 LEU 28 2HD2 LEU 28 10.665 -3.891 3.726 254 3HD2 LEU 28 3HD2 LEU 28 10.690 -2.152 3.432 255 H LEU 29 H LEU 29 6.903 1.119 2.911 256 HA LEU 29 HA LEU 29 5.877 1.725 0.175 257 1HB LEU 29 2HB LEU 29 4.889 2.567 2.414 258 2HB LEU 29 1HB LEU 29 6.293 3.632 2.487 259 HG LEU 29 HG LEU 29 4.787 3.580 -0.082 260 1HD1 LEU 29 1HD1 LEU 29 3.528 4.164 2.480 261 2HD1 LEU 29 2HD1 LEU 29 2.800 4.047 0.879 262 3HD1 LEU 29 3HD1 LEU 29 3.514 5.568 1.413 263 1HD2 LEU 29 1HD2 LEU 29 6.869 5.025 0.816 264 2HD2 LEU 29 2HD2 LEU 29 5.561 6.056 1.394 265 3HD2 LEU 29 3HD2 LEU 29 5.698 5.684 -0.324 266 H LYS 30 H LYS 30 7.219 2.651 -1.344 267 HA LYS 30 HA LYS 30 9.954 3.472 -0.436 268 1HB LYS 30 2HB LYS 30 8.872 2.357 -3.035 269 2HB LYS 30 1HB LYS 30 10.539 2.885 -2.814 270 1HG LYS 30 2HG LYS 30 10.183 1.255 -0.632 271 2HG LYS 30 1HG LYS 30 9.206 0.439 -1.854 272 1HD LYS 30 2HD LYS 30 12.017 1.372 -2.444 273 2HD LYS 30 1HD LYS 30 11.699 -0.204 -1.720 274 1HE LYS 30 2HE LYS 30 9.884 -0.105 -3.832 275 2HE LYS 30 1HE LYS 30 11.344 0.650 -4.500 276 1HZ LYS 30 1HZ LYS 30 11.357 -1.881 -2.941 277 2HZ LYS 30 2HZ LYS 30 12.661 -1.184 -3.781 278 3HZ LYS 30 3HZ LYS 30 11.340 -1.824 -4.636 279 H SER 31 H SER 31 10.968 5.027 -2.166 280 HA SER 31 HA SER 31 9.441 7.501 -2.154 281 1HB SER 31 2HB SER 31 12.107 6.643 -2.363 282 2HB SER 31 1HB SER 31 11.770 7.441 -3.896 283 HG SER 31 HG SER 31 12.364 9.041 -2.516 284 H ASP 32 H ASP 32 9.237 4.853 -4.228 285 HA ASP 32 HA ASP 32 8.951 6.295 -6.765 286 1HB ASP 32 2HB ASP 32 9.809 4.003 -6.635 287 2HB ASP 32 1HB ASP 32 8.331 3.470 -5.837 288 H GLY 33 H GLY 33 6.966 5.864 -4.027 289 1HA GLY 33 2HA GLY 33 4.765 6.714 -3.751 290 2HA GLY 33 1HA GLY 33 4.616 6.844 -5.505 291 H SER 34 H SER 34 5.714 3.935 -3.832 292 HA SER 34 HA SER 34 3.078 2.620 -4.202 293 1HB SER 34 2HB SER 34 5.645 1.761 -5.585 294 2HB SER 34 1HB SER 34 4.135 0.861 -5.616 295 HG SER 34 HG SER 34 3.391 3.175 -6.379 296 H PHE 35 H PHE 35 2.873 0.749 -2.884 297 HA PHE 35 HA PHE 35 5.267 0.015 -1.254 298 1HB PHE 35 2HB PHE 35 3.598 -0.194 0.688 299 2HB PHE 35 1HB PHE 35 4.015 1.436 0.182 300 HD1 PHE 35 1HD PHE 35 1.367 -1.043 0.468 301 HD2 PHE 35 2HD PHE 35 2.410 2.766 -1.217 302 HE1 PHE 35 1HE PHE 35 -1.034 -0.540 0.124 303 HE2 PHE 35 2HE PHE 35 0.007 3.268 -1.568 304 HZ PHE 35 HZ PHE 35 -1.716 1.615 -0.892 305 H ILE 36 H ILE 36 5.560 -2.166 -1.036 306 HA ILE 36 HA ILE 36 3.513 -3.944 -2.297 307 HB ILE 36 HB ILE 36 6.496 -4.110 -1.785 308 1HG1 ILE 36 2HG1 ILE 36 6.241 -4.573 -4.383 309 2HG1 ILE 36 1HG1 ILE 36 4.691 -3.765 -4.160 310 1HG2 ILE 36 1HG2 ILE 36 6.538 -6.337 -2.617 311 2HG2 ILE 36 2HG2 ILE 36 4.856 -6.259 -3.139 312 3HG2 ILE 36 3HG2 ILE 36 5.244 -6.330 -1.420 313 1HD1 ILE 36 1HD1 ILE 36 5.667 -1.737 -3.636 314 2HD1 ILE 36 2HD1 ILE 36 6.897 -2.384 -4.722 315 3HD1 ILE 36 3HD1 ILE 36 7.120 -2.487 -2.976 316 H GLY 37 H GLY 37 2.572 -5.585 -1.129 317 1HA GLY 37 2HA GLY 37 3.011 -5.609 1.792 318 2HA GLY 37 1HA GLY 37 1.694 -6.410 0.936 319 H TYR 38 H TYR 38 3.997 -7.258 2.858 320 HA TYR 38 HA TYR 38 4.964 -9.590 1.235 321 1HB TYR 38 2HB TYR 38 6.238 -7.615 2.906 322 2HB TYR 38 1HB TYR 38 6.462 -9.203 3.637 323 HD1 TYR 38 1HD TYR 38 8.244 -10.504 2.918 324 HD2 TYR 38 2HD TYR 38 6.599 -7.561 0.258 325 HE1 TYR 38 1HE TYR 38 10.000 -11.029 1.250 326 HE2 TYR 38 2HE TYR 38 8.353 -8.089 -1.414 327 HH TYR 38 HH TYR 38 10.073 -10.754 -1.486 328 H LYS 39 H LYS 39 4.951 -11.659 2.315 329 HA LYS 39 HA LYS 39 2.727 -12.095 4.139 330 1HB LYS 39 2HB LYS 39 3.277 -13.742 2.472 331 2HB LYS 39 1HB LYS 39 4.960 -13.797 2.991 332 1HG LYS 39 2HG LYS 39 4.263 -14.749 5.162 333 2HG LYS 39 1HG LYS 39 2.578 -14.698 4.641 334 1HD LYS 39 2HD LYS 39 3.292 -16.929 4.217 335 2HD LYS 39 1HD LYS 39 3.308 -16.131 2.645 336 1HE LYS 39 2HE LYS 39 5.450 -16.925 2.496 337 2HE LYS 39 1HE LYS 39 5.855 -15.594 3.597 338 1HZ LYS 39 1HZ LYS 39 5.760 -16.957 5.439 339 2HZ LYS 39 2HZ LYS 39 6.416 -18.019 4.283 340 3HZ LYS 39 3HZ LYS 39 4.768 -18.111 4.684 341 H GLU 40 H GLU 40 6.276 -12.055 4.466 342 HA GLU 40 HA GLU 40 5.930 -12.054 7.443 343 1HB GLU 40 2HB GLU 40 7.179 -13.966 5.719 344 2HB GLU 40 1HB GLU 40 8.448 -13.178 6.656 345 1HG GLU 40 2HG GLU 40 7.668 -13.992 8.662 346 2HG GLU 40 1HG GLU 40 5.987 -13.993 8.129 347 H ARG 41 H ARG 41 7.619 -10.890 8.577 348 HA ARG 41 HA ARG 41 8.523 -8.484 7.202 349 1HB ARG 41 2HB ARG 41 8.010 -9.380 9.838 350 2HB ARG 41 1HB ARG 41 9.713 -8.923 9.802 351 1HG ARG 41 2HG ARG 41 8.941 -6.777 8.614 352 2HG ARG 41 1HG ARG 41 7.313 -7.221 9.126 353 1HD ARG 41 2HD ARG 41 8.035 -5.859 10.907 354 2HD ARG 41 1HD ARG 41 8.445 -7.480 11.503 355 HE ARG 41 HE ARG 41 10.636 -6.557 9.945 356 1HH1 ARG 41 1HH2 ARG 41 8.969 -5.802 12.903 357 2HH1 ARG 41 2HH2 ARG 41 10.379 -5.159 13.672 358 1HH2 ARG 41 1HH1 ARG 41 12.468 -5.716 10.957 359 2HH2 ARG 41 2HH1 ARG 41 12.354 -5.111 12.576 360 HA PRO 42 HA PRO 42 12.880 -10.304 7.932 361 1HB PRO 42 2HB PRO 42 13.128 -12.880 8.816 362 2HB PRO 42 1HB PRO 42 13.001 -11.489 9.910 363 1HG PRO 42 2HG PRO 42 10.939 -13.473 9.126 364 2HG PRO 42 1HG PRO 42 11.199 -12.665 10.678 365 1HD PRO 42 2HD PRO 42 9.263 -11.962 8.857 366 2HD PRO 42 1HD PRO 42 9.926 -10.873 10.093 367 H GLU 43 H GLU 43 14.244 -11.547 6.475 368 HA GLU 43 HA GLU 43 12.810 -12.581 4.122 369 1HB GLU 43 2HB GLU 43 15.071 -12.566 3.147 370 2HB GLU 43 1HB GLU 43 14.746 -11.047 3.977 371 1HG GLU 43 2HG GLU 43 16.780 -11.444 4.942 372 2HG GLU 43 1HG GLU 43 15.843 -12.476 6.016 373 H ALA 44 H ALA 44 14.420 -13.920 6.901 374 HA ALA 44 HA ALA 44 14.691 -16.144 7.610 375 1HB ALA 44 1HB ALA 44 13.287 -17.114 5.150 376 2HB ALA 44 2HB ALA 44 12.382 -16.136 6.306 377 3HB ALA 44 3HB ALA 44 13.119 -17.653 6.820 378 HA PRO 45 HA PRO 45 18.339 -17.053 5.248 379 1HB PRO 45 2HB PRO 45 19.310 -18.978 6.932 380 2HB PRO 45 1HB PRO 45 19.420 -17.240 7.276 381 1HG PRO 45 2HG PRO 45 17.519 -19.263 8.342 382 2HG PRO 45 1HG PRO 45 18.280 -17.888 9.156 383 1HD PRO 45 2HD PRO 45 15.695 -17.885 8.253 384 2HD PRO 45 1HD PRO 45 16.678 -16.418 8.448 385 H ASP 46 H ASP 46 15.920 -19.438 6.199 386 HA ASP 46 HA ASP 46 16.806 -21.172 3.910 387 1HB ASP 46 2HB ASP 46 15.896 -21.813 6.722 388 2HB ASP 46 1HB ASP 46 15.817 -23.022 5.441 389 H GLN 47 H GLN 47 14.893 -19.072 3.640 390 HA GLN 47 HA GLN 47 12.626 -20.497 2.546 391 1HB GLN 47 2HB GLN 47 12.028 -20.733 4.890 392 2HB GLN 47 1HB GLN 47 12.343 -19.026 5.190 393 1HG GLN 47 2HG GLN 47 10.482 -19.100 3.064 394 2HG GLN 47 1HG GLN 47 9.916 -20.281 4.243 395 1HE2 GLN 47 1HE2 GLN 47 10.066 -19.366 6.653 396 2HE2 GLN 47 2HE2 GLN 47 9.529 -17.767 6.851 397 H THR 48 H THR 48 13.232 -19.112 0.741 398 HA THR 48 HA THR 48 13.321 -16.217 1.006 399 HB THR 48 HB THR 48 14.523 -17.551 -0.722 400 HG1 THR 48 1HG THR 48 14.277 -15.514 -1.362 401 1HG2 THR 48 1HG2 THR 48 13.479 -18.929 -2.202 402 2HG2 THR 48 2HG2 THR 48 12.101 -17.843 -2.390 403 3HG2 THR 48 3HG2 THR 48 12.187 -18.927 -1.001 404 H LEU 49 H LEU 49 11.632 -14.782 0.840 405 HA LEU 49 HA LEU 49 8.947 -15.874 0.076 406 1HB LEU 49 2HB LEU 49 8.105 -14.167 1.780 407 2HB LEU 49 1HB LEU 49 8.986 -15.538 2.443 408 HG LEU 49 HG LEU 49 10.567 -13.098 1.740 409 1HD1 LEU 49 1HD1 LEU 49 9.083 -13.288 4.363 410 2HD1 LEU 49 2HD1 LEU 49 8.426 -12.398 2.992 411 3HD1 LEU 49 3HD1 LEU 49 9.964 -11.910 3.704 412 1HD2 LEU 49 1HD2 LEU 49 11.178 -14.097 4.294 413 2HD2 LEU 49 2HD2 LEU 49 12.071 -14.400 2.805 414 3HD2 LEU 49 3HD2 LEU 49 10.816 -15.522 3.323 415 HA PRO 50 HA PRO 50 9.365 -12.536 -2.894 416 1HB PRO 50 2HB PRO 50 7.195 -13.255 -4.399 417 2HB PRO 50 1HB PRO 50 8.766 -14.067 -4.527 418 1HG PRO 50 2HG PRO 50 6.289 -14.941 -3.148 419 2HG PRO 50 1HG PRO 50 7.506 -15.899 -4.003 420 1HD PRO 50 2HD PRO 50 7.326 -15.681 -1.263 421 2HD PRO 50 1HD PRO 50 8.796 -16.139 -2.148 422 HA PRO 51 HA PRO 51 6.305 -9.630 -1.568 423 1HB PRO 51 2HB PRO 51 5.421 -8.429 -3.868 424 2HB PRO 51 1HB PRO 51 7.026 -8.127 -3.175 425 1HG PRO 51 2HG PRO 51 6.248 -9.910 -5.431 426 2HG PRO 51 1HG PRO 51 7.656 -8.847 -5.267 427 1HD PRO 51 2HD PRO 51 7.785 -11.529 -4.888 428 2HD PRO 51 1HD PRO 51 8.838 -10.382 -4.031 429 H LEU 52 H LEU 52 4.287 -10.149 -0.813 430 HA LEU 52 HA LEU 52 2.577 -12.047 -2.256 431 1HB LEU 52 2HB LEU 52 3.008 -11.110 0.407 432 2HB LEU 52 1HB LEU 52 1.313 -10.821 0.014 433 HG LEU 52 HG LEU 52 1.260 -13.225 -0.870 434 1HD1 LEU 52 1HD1 LEU 52 3.554 -13.774 -1.090 435 2HD1 LEU 52 2HD1 LEU 52 3.032 -14.660 0.342 436 3HD1 LEU 52 3HD1 LEU 52 3.942 -13.160 0.517 437 1HD2 LEU 52 1HD2 LEU 52 1.385 -14.101 1.637 438 2HD2 LEU 52 2HD2 LEU 52 0.110 -12.989 1.133 439 3HD2 LEU 52 3HD2 LEU 52 1.524 -12.378 1.993 440 H ASN 53 H ASN 53 2.551 -8.549 -1.578 441 HA ASN 53 HA ASN 53 0.242 -8.301 -3.482 442 1HB ASN 53 2HB ASN 53 0.208 -7.972 -0.679 443 2HB ASN 53 1HB ASN 53 0.162 -6.341 -1.350 444 1HD2 ASN 53 1HD2 ASN 53 -1.560 -5.973 -3.098 445 2HD2 ASN 53 2HD2 ASN 53 -3.011 -6.843 -2.974 446 H ASN 54 H ASN 54 0.287 -6.429 -4.774 447 HA ASN 54 HA ASN 54 2.671 -4.629 -4.442 448 1HB ASN 54 2HB ASN 54 2.730 -6.292 -6.346 449 2HB ASN 54 1HB ASN 54 1.301 -5.500 -7.009 450 1HD2 ASN 54 1HD2 ASN 54 1.800 -3.927 -8.540 451 2HD2 ASN 54 2HD2 ASN 54 3.232 -3.016 -8.575 452 H PHE 55 H PHE 55 1.937 -2.603 -3.866 453 HA PHE 55 HA PHE 55 -0.663 -1.657 -5.048 454 1HB PHE 55 2HB PHE 55 0.506 -1.644 -2.311 455 2HB PHE 55 1HB PHE 55 -0.372 -0.193 -2.785 456 HD1 PHE 55 1HD PHE 55 -2.754 -0.426 -3.658 457 HD2 PHE 55 2HD PHE 55 -0.643 -3.641 -1.750 458 HE1 PHE 55 1HE PHE 55 -4.903 -1.594 -3.241 459 HE2 PHE 55 2HE PHE 55 -2.788 -4.805 -1.332 460 HZ PHE 55 HZ PHE 55 -4.919 -3.782 -2.077 461 H SER 56 H SER 56 -0.526 0.253 -6.192 462 HA SER 56 HA SER 56 1.934 1.936 -5.829 463 1HB SER 56 2HB SER 56 1.670 2.284 -8.365 464 2HB SER 56 1HB SER 56 2.233 0.700 -7.844 465 HG SER 56 HG SER 56 -0.377 1.479 -8.640 466 H VAL 57 H VAL 57 1.459 4.065 -5.426 467 HA VAL 57 HA VAL 57 -1.285 5.055 -6.129 468 HB VAL 57 HB VAL 57 -0.538 4.616 -3.668 469 1HG1 VAL 57 1HG1 VAL 57 0.797 6.255 -2.606 470 2HG1 VAL 57 2HG1 VAL 57 0.674 7.365 -3.970 471 3HG1 VAL 57 3HG1 VAL 57 1.659 5.910 -4.103 472 1HG2 VAL 57 1HG2 VAL 57 -2.595 5.779 -4.190 473 2HG2 VAL 57 2HG2 VAL 57 -1.714 7.250 -4.602 474 3HG2 VAL 57 3HG2 VAL 57 -1.763 6.690 -2.930 475 H ALA 58 H ALA 58 1.600 5.258 -7.443 476 HA ALA 58 HA ALA 58 2.304 8.073 -7.398 477 1HB ALA 58 1HB ALA 58 3.643 7.370 -9.406 478 2HB ALA 58 2HB ALA 58 2.830 5.807 -9.357 479 3HB ALA 58 3HB ALA 58 3.872 6.301 -8.022 480 H GLU 59 H GLU 59 0.608 6.049 -9.832 481 HA GLU 59 HA GLU 59 -0.450 8.526 -11.127 482 1HB GLU 59 2HB GLU 59 -0.191 5.612 -11.922 483 2HB GLU 59 1HB GLU 59 -1.084 6.780 -12.897 484 1HG GLU 59 2HG GLU 59 0.850 8.063 -13.348 485 2HG GLU 59 1HG GLU 59 1.755 7.322 -12.029 486 H CYS 60 H CYS 60 -1.396 6.618 -8.641 487 HA CYS 60 HA CYS 60 -4.298 6.699 -9.402 488 1HB CYS 60 2HB CYS 60 -2.598 4.706 -7.894 489 2HB CYS 60 1HB CYS 60 -4.350 4.735 -7.699 490 H GLN 61 H GLN 61 -5.521 6.390 -7.031 491 HA GLN 61 HA GLN 61 -4.250 8.276 -5.087 492 1HB GLN 61 2HB GLN 61 -6.344 9.549 -4.999 493 2HB GLN 61 1HB GLN 61 -5.760 9.487 -6.659 494 1HG GLN 61 2HG GLN 61 -7.790 8.691 -7.234 495 2HG GLN 61 1HG GLN 61 -7.355 7.200 -6.401 496 1HE2 GLN 61 1HE2 GLN 61 -8.773 6.620 -4.751 497 2HE2 GLN 61 2HE2 GLN 61 -9.770 7.698 -3.899 498 H LEU 62 H LEU 62 -5.041 8.039 -2.914 499 HA LEU 62 HA LEU 62 -6.396 5.414 -2.392 500 1HB LEU 62 2HB LEU 62 -4.084 6.808 -1.362 501 2HB LEU 62 1HB LEU 62 -5.234 6.561 -0.051 502 HG LEU 62 HG LEU 62 -3.731 4.647 -0.173 503 1HD1 LEU 62 1HD1 LEU 62 -6.141 4.254 0.366 504 2HD1 LEU 62 2HD1 LEU 62 -5.366 2.858 -0.382 505 3HD1 LEU 62 3HD1 LEU 62 -6.428 3.891 -1.336 506 1HD2 LEU 62 1HD2 LEU 62 -3.841 3.202 -2.273 507 2HD2 LEU 62 2HD2 LEU 62 -2.972 4.727 -2.440 508 3HD2 LEU 62 3HD2 LEU 62 -4.612 4.574 -3.068 509 H MET 63 H MET 63 -8.081 5.370 -0.781 510 HA MET 63 HA MET 63 -9.234 8.039 -0.028 511 1HB MET 63 2HB MET 63 -10.454 7.102 -1.919 512 2HB MET 63 1HB MET 63 -10.581 5.540 -1.112 513 1HG MET 63 2HG MET 63 -12.500 6.212 -0.149 514 2HG MET 63 1HG MET 63 -11.623 7.499 0.676 515 1HE MET 63 1HE MET 63 -12.386 10.633 -0.905 516 2HE MET 63 2HE MET 63 -10.845 9.834 -1.211 517 3HE MET 63 3HE MET 63 -11.633 9.644 0.354 518 H LYS 64 H LYS 64 -9.621 8.166 2.166 519 HA LYS 64 HA LYS 64 -9.159 5.801 3.850 520 1HB LYS 64 2HB LYS 64 -9.327 7.447 5.664 521 2HB LYS 64 1HB LYS 64 -8.334 8.110 4.371 522 1HG LYS 64 2HG LYS 64 -10.330 9.334 3.510 523 2HG LYS 64 1HG LYS 64 -11.265 8.718 4.873 524 1HD LYS 64 2HD LYS 64 -9.740 9.829 6.446 525 2HD LYS 64 1HD LYS 64 -8.762 10.415 5.101 526 1HE LYS 64 2HE LYS 64 -10.504 11.857 4.324 527 2HE LYS 64 1HE LYS 64 -11.712 11.068 5.355 528 1HZ LYS 64 1HZ LYS 64 -10.750 13.200 6.257 529 2HZ LYS 64 2HZ LYS 64 -9.279 12.371 6.447 530 3HZ LYS 64 3HZ LYS 64 -10.662 11.864 7.296 531 H THR 65 H THR 65 -10.751 4.667 4.998 532 HA THR 65 HA THR 65 -13.538 5.658 5.053 533 HB THR 65 HB THR 65 -13.127 4.557 2.821 534 HG1 THR 65 1HG THR 65 -15.001 3.304 2.958 535 1HG2 THR 65 1HG2 THR 65 -11.539 2.850 3.431 536 2HG2 THR 65 2HG2 THR 65 -13.001 2.039 2.870 537 3HG2 THR 65 3HG2 THR 65 -12.661 2.149 4.597 538 H GLU 66 H GLU 66 -14.944 3.704 6.031 539 HA GLU 66 HA GLU 66 -13.354 2.386 8.210 540 1HB GLU 66 2HB GLU 66 -15.578 2.871 9.542 541 2HB GLU 66 1HB GLU 66 -14.389 4.152 9.340 542 1HG GLU 66 2HG GLU 66 -16.633 5.012 8.857 543 2HG GLU 66 1HG GLU 66 -15.668 5.007 7.384 544 H ARG 67 H ARG 67 -14.670 1.455 5.548 545 HA ARG 67 HA ARG 67 -16.199 -0.820 6.756 546 1HB ARG 67 2HB ARG 67 -17.024 1.252 4.911 547 2HB ARG 67 1HB ARG 67 -17.139 -0.324 4.128 548 1HG ARG 67 2HG ARG 67 -18.545 -1.184 5.882 549 2HG ARG 67 1HG ARG 67 -18.269 0.244 6.880 550 1HD ARG 67 2HD ARG 67 -19.375 0.740 4.152 551 2HD ARG 67 1HD ARG 67 -20.468 -0.006 5.334 552 HE ARG 67 HE ARG 67 -19.107 2.100 6.660 553 1HH1 ARG 67 1HH2 ARG 67 -21.384 1.632 4.073 554 2HH1 ARG 67 2HH2 ARG 67 -22.125 3.179 4.286 555 1HH2 ARG 67 1HH1 ARG 67 -20.075 4.115 6.925 556 2HH2 ARG 67 2HH1 ARG 67 -21.388 4.583 5.898 557 HA PRO 68 HA PRO 68 -17.021 -2.655 6.092 558 1HB PRO 68 2HB PRO 68 -16.124 -5.146 6.769 559 2HB PRO 68 1HB PRO 68 -16.875 -4.779 5.204 560 1HG PRO 68 2HG PRO 68 -13.999 -5.089 5.894 561 2HG PRO 68 1HG PRO 68 -14.875 -5.603 4.444 562 1HD PRO 68 2HD PRO 68 -13.296 -3.378 4.552 563 2HD PRO 68 1HD PRO 68 -14.667 -3.564 3.437 564 H ARG 69 H ARG 69 -13.635 -2.620 7.031 565 HA ARG 69 HA ARG 69 -14.423 -2.612 9.926 566 1HB ARG 69 2HB ARG 69 -12.303 -3.841 8.335 567 2HB ARG 69 1HB ARG 69 -11.650 -2.929 9.694 568 1HG ARG 69 2HG ARG 69 -13.576 -4.148 11.034 569 2HG ARG 69 1HG ARG 69 -13.482 -5.306 9.708 570 1HD ARG 69 2HD ARG 69 -11.968 -6.084 11.426 571 2HD ARG 69 1HD ARG 69 -10.961 -5.397 10.141 572 HE ARG 69 HE ARG 69 -11.747 -3.874 12.605 573 1HH1 ARG 69 1HH2 ARG 69 -9.469 -4.643 10.066 574 2HH1 ARG 69 2HH2 ARG 69 -8.305 -3.497 10.618 575 1HH2 ARG 69 1HH1 ARG 69 -10.204 -2.395 13.292 576 2HH2 ARG 69 2HH1 ARG 69 -8.713 -2.237 12.431 577 HA PRO 70 HA PRO 70 -13.121 1.577 10.245 578 1HB PRO 70 2HB PRO 70 -11.843 1.620 12.672 579 2HB PRO 70 1HB PRO 70 -13.608 1.507 12.502 580 1HG PRO 70 2HG PRO 70 -11.614 -0.654 13.012 581 2HG PRO 70 1HG PRO 70 -13.211 -0.402 13.734 582 1HD PRO 70 2HD PRO 70 -12.782 -2.209 11.773 583 2HD PRO 70 1HD PRO 70 -14.319 -1.333 11.940 584 H ASN 71 H ASN 71 -11.199 2.986 10.243 585 HA ASN 71 HA ASN 71 -9.008 3.521 9.546 586 1HB ASN 71 2HB ASN 71 -8.384 0.896 10.946 587 2HB ASN 71 1HB ASN 71 -7.273 2.239 10.688 588 1HD2 ASN 71 1HD2 ASN 71 -8.112 4.425 11.689 589 2HD2 ASN 71 2HD2 ASN 71 -8.883 4.315 13.194 590 H THR 72 H THR 72 -10.226 2.742 7.396 591 HA THR 72 HA THR 72 -8.577 0.554 6.166 592 HB THR 72 HB THR 72 -11.488 1.337 5.897 593 HG1 THR 72 1HG THR 72 -11.669 -0.269 7.206 594 1HG2 THR 72 1HG2 THR 72 -10.905 0.877 3.655 595 2HG2 THR 72 2HG2 THR 72 -11.504 -0.667 4.261 596 3HG2 THR 72 3HG2 THR 72 -9.769 -0.387 4.118 597 H PHE 73 H PHE 73 -8.082 0.823 3.910 598 HA PHE 73 HA PHE 73 -8.361 3.620 2.852 599 1HB PHE 73 2HB PHE 73 -6.039 1.913 3.437 600 2HB PHE 73 1HB PHE 73 -6.019 2.565 1.800 601 HD1 PHE 73 1HD PHE 73 -4.604 3.179 4.760 602 HD2 PHE 73 2HD PHE 73 -7.235 5.181 2.020 603 HE1 PHE 73 1HE PHE 73 -3.855 5.370 5.640 604 HE2 PHE 73 2HE PHE 73 -6.489 7.373 2.902 605 HZ PHE 73 HZ PHE 73 -4.797 7.464 4.716 606 H VAL 74 H VAL 74 -9.333 3.628 0.863 607 HA VAL 74 HA VAL 74 -9.420 1.067 -0.701 608 HB VAL 74 HB VAL 74 -11.296 3.460 -0.713 609 1HG1 VAL 74 1HG1 VAL 74 -12.804 1.975 -1.930 610 2HG1 VAL 74 2HG1 VAL 74 -11.642 0.653 -1.808 611 3HG1 VAL 74 3HG1 VAL 74 -11.264 2.072 -2.786 612 1HG2 VAL 74 1HG2 VAL 74 -12.773 2.173 0.685 613 2HG2 VAL 74 2HG2 VAL 74 -11.193 2.146 1.466 614 3HG2 VAL 74 3HG2 VAL 74 -11.749 0.743 0.554 615 H ILE 75 H ILE 75 -8.340 1.109 -2.641 616 HA ILE 75 HA ILE 75 -7.657 3.789 -3.809 617 HB ILE 75 HB ILE 75 -5.699 2.597 -3.038 618 1HG1 ILE 75 2HG1 ILE 75 -5.838 2.054 -6.012 619 2HG1 ILE 75 1HG1 ILE 75 -5.693 3.683 -5.355 620 1HG2 ILE 75 1HG2 ILE 75 -6.031 0.357 -2.788 621 2HG2 ILE 75 2HG2 ILE 75 -5.384 0.274 -4.427 622 3HG2 ILE 75 3HG2 ILE 75 -7.126 0.260 -4.165 623 1HD1 ILE 75 1HD1 ILE 75 -3.784 1.812 -4.160 624 2HD1 ILE 75 2HD1 ILE 75 -3.502 3.401 -4.869 625 3HD1 ILE 75 3HD1 ILE 75 -3.578 1.976 -5.903 626 H ARG 76 H ARG 76 -9.003 4.186 -5.510 627 HA ARG 76 HA ARG 76 -10.250 2.019 -7.056 628 1HB ARG 76 2HB ARG 76 -10.406 4.978 -6.784 629 2HB ARG 76 1HB ARG 76 -10.883 4.317 -8.349 630 1HG ARG 76 2HG ARG 76 -11.978 2.758 -6.143 631 2HG ARG 76 1HG ARG 76 -12.477 4.448 -6.060 632 1HD ARG 76 2HD ARG 76 -13.610 4.355 -8.105 633 2HD ARG 76 1HD ARG 76 -12.613 3.017 -8.706 634 HE ARG 76 HE ARG 76 -13.928 1.486 -7.435 635 1HH1 ARG 76 1HH2 ARG 76 -14.768 4.799 -6.775 636 2HH1 ARG 76 2HH2 ARG 76 -16.198 4.383 -5.898 637 1HH2 ARG 76 1HH1 ARG 76 -15.788 0.960 -6.286 638 2HH2 ARG 76 2HH1 ARG 76 -16.773 2.216 -5.617 639 H CYS 77 H CYS 77 -7.634 4.364 -7.493 640 HA CYS 77 HA CYS 77 -5.882 4.431 -9.055 641 1HB CYS 77 2HB CYS 77 -6.778 1.727 -8.931 642 2HB CYS 77 1HB CYS 77 -6.472 2.101 -10.625 643 H LEU 78 H LEU 78 -8.565 2.894 -10.912 644 HA LEU 78 HA LEU 78 -8.440 5.252 -12.771 645 1HB LEU 78 2HB LEU 78 -8.643 2.274 -13.211 646 2HB LEU 78 1HB LEU 78 -9.201 3.399 -14.447 647 HG LEU 78 HG LEU 78 -6.765 4.476 -13.817 648 1HD1 LEU 78 1HD1 LEU 78 -5.272 2.337 -13.973 649 2HD1 LEU 78 2HD1 LEU 78 -6.688 1.506 -13.329 650 3HD1 LEU 78 3HD1 LEU 78 -5.928 2.800 -12.403 651 1HD2 LEU 78 1HD2 LEU 78 -7.617 4.049 -16.078 652 2HD2 LEU 78 2HD2 LEU 78 -7.383 2.314 -15.858 653 3HD2 LEU 78 3HD2 LEU 78 -5.988 3.392 -15.919 654 H GLN 79 H GLN 79 -10.684 2.472 -12.561 655 HA GLN 79 HA GLN 79 -12.893 4.236 -11.664 656 1HB GLN 79 2HB GLN 79 -14.198 3.708 -13.716 657 2HB GLN 79 1HB GLN 79 -12.707 4.560 -14.105 658 1HG GLN 79 2HG GLN 79 -11.774 2.741 -15.144 659 2HG GLN 79 1HG GLN 79 -12.533 1.591 -14.044 660 1HE2 GLN 79 1HE2 GLN 79 -12.728 2.917 -17.199 661 2HE2 GLN 79 2HE2 GLN 79 -14.277 2.343 -17.594 662 H TRP 80 H TRP 80 -14.757 2.089 -12.890 663 HA TRP 80 HA TRP 80 -14.779 0.313 -10.567 664 1HB TRP 80 2HB TRP 80 -16.757 1.285 -11.854 665 2HB TRP 80 1HB TRP 80 -16.370 0.150 -13.146 666 HD1 TRP 80 HD TRP 80 -17.840 0.350 -9.661 667 HE1 TRP 80 1HE TRP 80 -18.848 -1.939 -9.032 668 HE3 TRP 80 3HE TRP 80 -16.117 -2.472 -13.554 669 HZ2 TRP 80 2HZ TRP 80 -18.911 -4.614 -10.046 670 HZ3 TRP 80 3HZ TRP 80 -16.666 -4.884 -13.697 671 HH2 TRP 80 HH TRP 80 -18.059 -5.957 -11.950 672 H THR 81 H THR 81 -13.570 -1.536 -10.450 673 HA THR 81 HA THR 81 -12.733 -2.866 -13.011 674 HB THR 81 HB THR 81 -11.247 -3.265 -10.443 675 HG1 THR 81 1HG THR 81 -10.786 -1.243 -10.237 676 1HG2 THR 81 1HG2 THR 81 -9.669 -4.003 -11.865 677 2HG2 THR 81 2HG2 THR 81 -9.734 -2.510 -12.801 678 3HG2 THR 81 3HG2 THR 81 -10.851 -3.827 -13.161 679 H THR 82 H THR 82 -11.830 -5.266 -11.999 680 HA THR 82 HA THR 82 -14.286 -6.726 -11.465 681 HB THR 82 HB THR 82 -12.629 -8.640 -11.350 682 HG1 THR 82 1HG THR 82 -10.479 -8.154 -11.654 683 1HG2 THR 82 1HG2 THR 82 -13.599 -7.629 -13.498 684 2HG2 THR 82 2HG2 THR 82 -12.122 -8.577 -13.672 685 3HG2 THR 82 3HG2 THR 82 -12.046 -6.815 -13.685 686 H VAL 83 H VAL 83 -13.615 -8.640 -9.587 687 HA VAL 83 HA VAL 83 -13.836 -7.143 -7.060 688 HB VAL 83 HB VAL 83 -13.725 -10.133 -7.624 689 1HG1 VAL 83 1HG1 VAL 83 -13.454 -9.875 -5.301 690 2HG1 VAL 83 2HG1 VAL 83 -15.200 -10.049 -5.470 691 3HG1 VAL 83 3HG1 VAL 83 -14.492 -8.450 -5.243 692 1HG2 VAL 83 1HG2 VAL 83 -16.341 -9.615 -7.181 693 2HG2 VAL 83 2HG2 VAL 83 -15.634 -9.604 -8.796 694 3HG2 VAL 83 3HG2 VAL 83 -15.873 -8.088 -7.928 695 H ILE 84 H ILE 84 -11.458 -6.358 -7.738 696 HA ILE 84 HA ILE 84 -9.342 -8.269 -6.922 697 HB ILE 84 HB ILE 84 -9.375 -6.604 -8.926 698 1HG1 ILE 84 2HG1 ILE 84 -6.922 -6.298 -7.211 699 2HG1 ILE 84 1HG1 ILE 84 -7.374 -7.893 -7.815 700 1HG2 ILE 84 1HG2 ILE 84 -10.026 -4.707 -7.249 701 2HG2 ILE 84 2HG2 ILE 84 -8.872 -4.348 -8.532 702 3HG2 ILE 84 3HG2 ILE 84 -8.300 -4.660 -6.893 703 1HD1 ILE 84 1HD1 ILE 84 -5.826 -6.803 -9.380 704 2HD1 ILE 84 2HD1 ILE 84 -6.911 -5.418 -9.509 705 3HD1 ILE 84 3HD1 ILE 84 -7.413 -6.993 -10.125 706 H GLU 85 H GLU 85 -7.572 -7.184 -5.444 707 HA GLU 85 HA GLU 85 -8.866 -6.412 -2.930 708 1HB GLU 85 2HB GLU 85 -6.532 -6.565 -2.084 709 2HB GLU 85 1HB GLU 85 -6.976 -7.986 -3.026 710 1HG GLU 85 2HG GLU 85 -5.933 -6.159 -4.900 711 2HG GLU 85 1HG GLU 85 -4.857 -6.062 -3.508 712 H ARG 86 H ARG 86 -9.725 -4.342 -4.023 713 HA ARG 86 HA ARG 86 -7.775 -2.172 -4.436 714 1HB ARG 86 2HB ARG 86 -9.847 -0.888 -4.944 715 2HB ARG 86 1HB ARG 86 -9.770 -2.401 -5.840 716 1HG ARG 86 2HG ARG 86 -11.328 -3.461 -4.324 717 2HG ARG 86 1HG ARG 86 -11.272 -2.083 -3.225 718 1HD ARG 86 2HD ARG 86 -12.788 -0.913 -4.452 719 2HD ARG 86 1HD ARG 86 -11.999 -1.336 -5.981 720 HE ARG 86 HE ARG 86 -14.139 -2.870 -4.658 721 1HH1 ARG 86 1HH2 ARG 86 -11.513 -2.911 -6.952 722 2HH1 ARG 86 2HH2 ARG 86 -12.214 -4.173 -7.906 723 1HH2 ARG 86 1HH1 ARG 86 -15.018 -4.536 -5.910 724 2HH2 ARG 86 2HH1 ARG 86 -14.175 -5.090 -7.318 725 H THR 87 H THR 87 -9.612 -3.426 -1.762 726 HA THR 87 HA THR 87 -9.213 -0.872 -0.239 727 HB THR 87 HB THR 87 -11.040 -3.243 0.285 728 HG1 THR 87 1HG THR 87 -12.160 -2.343 -1.233 729 1HG2 THR 87 1HG2 THR 87 -12.184 -1.476 1.753 730 2HG2 THR 87 2HG2 THR 87 -10.698 -0.540 1.589 731 3HG2 THR 87 3HG2 THR 87 -10.659 -2.130 2.349 732 H PHE 88 H PHE 88 -7.700 -0.902 1.371 733 HA PHE 88 HA PHE 88 -6.895 -3.547 2.521 734 1HB PHE 88 2HB PHE 88 -4.692 -3.153 2.011 735 2HB PHE 88 1HB PHE 88 -5.393 -2.152 0.748 736 HD1 PHE 88 1HD PHE 88 -4.800 0.111 0.603 737 HD2 PHE 88 2HD PHE 88 -4.239 -1.980 4.315 738 HE1 PHE 88 1HE PHE 88 -3.624 2.083 1.541 739 HE2 PHE 88 2HE PHE 88 -3.076 -0.006 5.249 740 HZ PHE 88 HZ PHE 88 -2.759 2.020 3.868 741 H HIS 89 H HIS 89 -6.599 -3.535 4.756 742 HA HIS 89 HA HIS 89 -7.473 -1.055 6.181 743 1HB HIS 89 2HB HIS 89 -7.333 -3.994 6.925 744 2HB HIS 89 1HB HIS 89 -7.870 -2.731 8.028 745 HD1 HIS 89 1HD HIS 89 -10.189 -4.162 7.924 746 HD2 HIS 89 2HD HIS 89 -9.156 -2.082 4.467 747 HE1 HIS 89 1HE HIS 89 -12.288 -4.019 6.518 748 H VAL 90 H VAL 90 -6.335 -0.459 8.179 749 HA VAL 90 HA VAL 90 -3.432 -1.222 8.113 750 HB VAL 90 HB VAL 90 -3.158 0.929 9.383 751 1HG1 VAL 90 1HG1 VAL 90 -2.804 1.134 7.062 752 2HG1 VAL 90 2HG1 VAL 90 -3.972 2.403 7.419 753 3HG1 VAL 90 3HG1 VAL 90 -4.509 0.891 6.688 754 1HG2 VAL 90 1HG2 VAL 90 -5.845 0.656 9.934 755 2HG2 VAL 90 2HG2 VAL 90 -5.855 1.880 8.666 756 3HG2 VAL 90 3HG2 VAL 90 -4.924 2.144 10.140 757 H ASP 91 H ASP 91 -2.395 -1.670 10.194 758 HA ASP 91 HA ASP 91 -4.084 -3.192 12.015 759 1HB ASP 91 2HB ASP 91 -1.340 -2.939 11.334 760 2HB ASP 91 1HB ASP 91 -1.462 -2.601 13.061 761 H SER 92 H SER 92 -3.003 0.132 11.928 762 HA SER 92 HA SER 92 -4.299 0.587 14.584 763 1HB SER 92 2HB SER 92 -1.712 0.271 14.574 764 2HB SER 92 1HB SER 92 -1.668 1.858 13.811 765 HG SER 92 HG SER 92 -1.627 2.341 15.913 766 HA PRO 93 HA PRO 93 -6.041 4.082 12.500 767 1HB PRO 93 2HB PRO 93 -6.323 5.834 14.600 768 2HB PRO 93 1HB PRO 93 -7.389 4.436 14.352 769 1HG PRO 93 2HG PRO 93 -5.040 4.718 16.171 770 2HG PRO 93 1HG PRO 93 -6.618 3.971 16.476 771 1HD PRO 93 2HD PRO 93 -4.434 2.500 15.925 772 2HD PRO 93 1HD PRO 93 -6.056 2.014 15.384 773 H ASP 94 H ASP 94 -3.333 4.687 14.743 774 HA ASP 94 HA ASP 94 -2.497 7.217 13.670 775 1HB ASP 94 2HB ASP 94 -1.367 4.997 15.329 776 2HB ASP 94 1HB ASP 94 -0.221 6.145 14.639 777 H GLU 95 H GLU 95 -1.777 3.840 12.799 778 HA GLU 95 HA GLU 95 0.297 4.310 10.882 779 1HB GLU 95 2HB GLU 95 -1.464 2.182 11.793 780 2HB GLU 95 1HB GLU 95 -1.280 2.119 10.042 781 1HG GLU 95 2HG GLU 95 0.624 0.967 10.534 782 2HG GLU 95 1HG GLU 95 1.298 2.575 10.794 783 H ARG 96 H ARG 96 -3.253 4.033 10.485 784 HA ARG 96 HA ARG 96 -3.434 4.422 7.685 785 1HB ARG 96 2HB ARG 96 -5.250 3.733 9.234 786 2HB ARG 96 1HB ARG 96 -5.264 5.351 9.930 787 1HG ARG 96 2HG ARG 96 -5.469 5.459 7.035 788 2HG ARG 96 1HG ARG 96 -6.754 4.470 7.725 789 1HD ARG 96 2HD ARG 96 -6.822 6.552 9.460 790 2HD ARG 96 1HD ARG 96 -6.267 7.388 8.002 791 HE ARG 96 HE ARG 96 -8.245 6.606 6.831 792 1HH1 ARG 96 1HH2 ARG 96 -8.181 5.857 10.234 793 2HH1 ARG 96 2HH2 ARG 96 -9.862 5.465 10.292 794 1HH2 ARG 96 1HH1 ARG 96 -10.431 6.101 6.936 795 2HH2 ARG 96 2HH1 ARG 96 -11.128 5.580 8.433 796 H GLU 97 H GLU 97 -3.143 6.814 10.318 797 HA GLU 97 HA GLU 97 -3.471 9.152 8.640 798 1HB GLU 97 2HB GLU 97 -2.908 8.444 11.405 799 2HB GLU 97 1HB GLU 97 -1.888 9.788 10.887 800 1HG GLU 97 2HG GLU 97 -3.918 10.757 11.728 801 2HG GLU 97 1HG GLU 97 -3.987 10.888 9.971 802 H GLU 98 H GLU 98 -0.638 7.262 9.725 803 HA GLU 98 HA GLU 98 1.365 9.046 8.647 804 1HB GLU 98 2HB GLU 98 1.581 7.188 10.399 805 2HB GLU 98 1HB GLU 98 1.572 6.050 9.050 806 1HG GLU 98 2HG GLU 98 3.497 7.347 8.050 807 2HG GLU 98 1HG GLU 98 3.572 8.275 9.547 808 H TRP 99 H TRP 99 -0.268 6.132 7.340 809 HA TRP 99 HA TRP 99 1.204 5.928 4.893 810 1HB TRP 99 2HB TRP 99 -1.699 5.283 5.528 811 2HB TRP 99 1HB TRP 99 -0.814 4.674 4.133 812 HD1 TRP 99 HD TRP 99 -1.968 3.364 7.136 813 HE1 TRP 99 1HE TRP 99 -0.430 1.577 8.166 814 HE3 TRP 99 3HE TRP 99 2.347 4.314 4.563 815 HZ2 TRP 99 2HZ TRP 99 2.257 0.662 7.929 816 HZ3 TRP 99 3HZ TRP 99 4.380 2.959 4.993 817 HH2 TRP 99 HH TRP 99 4.338 1.139 6.670 818 H MET 100 H MET 100 -1.778 7.741 5.702 819 HA MET 100 HA MET 100 -2.347 8.787 3.111 820 1HB MET 100 2HB MET 100 -3.662 8.805 5.358 821 2HB MET 100 1HB MET 100 -2.755 10.276 5.710 822 1HG MET 100 2HG MET 100 -3.923 10.242 3.012 823 2HG MET 100 1HG MET 100 -5.126 10.177 4.299 824 1HE MET 100 1HE MET 100 -5.868 11.825 5.635 825 2HE MET 100 2HE MET 100 -5.142 13.380 6.037 826 3HE MET 100 3HE MET 100 -4.437 11.895 6.673 827 H ARG 101 H ARG 101 -0.446 10.225 5.793 828 HA ARG 101 HA ARG 101 0.361 12.594 4.381 829 1HB ARG 101 2HB ARG 101 0.409 12.043 6.886 830 2HB ARG 101 1HB ARG 101 1.882 11.131 6.558 831 1HG ARG 101 2HG ARG 101 2.403 13.435 7.294 832 2HG ARG 101 1HG ARG 101 2.950 13.150 5.642 833 1HD ARG 101 2HD ARG 101 1.595 14.780 4.833 834 2HD ARG 101 1HD ARG 101 0.192 14.137 5.708 835 HE ARG 101 HE ARG 101 2.065 16.184 6.707 836 1HH1 ARG 101 1HH2 ARG 101 -0.413 13.846 7.440 837 2HH1 ARG 101 2HH2 ARG 101 -0.850 14.605 8.929 838 1HH2 ARG 101 1HH1 ARG 101 1.481 17.158 8.653 839 2HH2 ARG 101 2HH1 ARG 101 0.217 16.471 9.615 840 H ALA 102 H ALA 102 1.813 9.354 4.675 841 HA ALA 102 HA ALA 102 4.300 9.951 3.345 842 1HB ALA 102 1HB ALA 102 4.404 7.477 3.172 843 2HB ALA 102 2HB ALA 102 2.697 7.383 3.604 844 3HB ALA 102 3HB ALA 102 3.872 7.982 4.776 845 H ILE 103 H ILE 103 1.158 8.699 2.175 846 HA ILE 103 HA ILE 103 1.867 8.233 -0.547 847 HB ILE 103 HB ILE 103 -0.689 9.047 0.871 848 1HG1 ILE 103 2HG1 ILE 103 -0.082 6.415 -0.468 849 2HG1 ILE 103 1HG1 ILE 103 0.527 6.747 1.153 850 1HG2 ILE 103 1HG2 ILE 103 -1.230 9.746 -1.284 851 2HG2 ILE 103 2HG2 ILE 103 -1.696 8.048 -1.356 852 3HG2 ILE 103 3HG2 ILE 103 -0.160 8.570 -2.047 853 1HD1 ILE 103 1HD1 ILE 103 -1.509 5.852 1.740 854 2HD1 ILE 103 2HD1 ILE 103 -2.277 6.339 0.229 855 3HD1 ILE 103 3HD1 ILE 103 -2.021 7.524 1.510 856 H GLN 104 H GLN 104 0.540 11.164 1.028 857 HA GLN 104 HA GLN 104 0.539 12.806 -1.342 858 1HB GLN 104 2HB GLN 104 -0.096 12.965 1.462 859 2HB GLN 104 1HB GLN 104 0.867 14.373 1.021 860 1HG GLN 104 2HG GLN 104 -1.373 13.539 -0.789 861 2HG GLN 104 1HG GLN 104 -1.761 14.397 0.702 862 1HE2 GLN 104 1HE2 GLN 104 -0.654 14.811 -2.538 863 2HE2 GLN 104 2HE2 GLN 104 -0.226 16.449 -2.418 864 H MET 105 H MET 105 2.890 12.479 1.356 865 HA MET 105 HA MET 105 4.740 14.463 0.523 866 1HB MET 105 2HB MET 105 4.608 13.111 2.686 867 2HB MET 105 1HB MET 105 5.410 11.806 1.813 868 1HG MET 105 2HG MET 105 7.170 12.998 2.876 869 2HG MET 105 1HG MET 105 7.206 13.540 1.198 870 1HE MET 105 1HE MET 105 6.653 15.522 0.297 871 2HE MET 105 2HE MET 105 8.067 16.087 1.184 872 3HE MET 105 3HE MET 105 6.613 17.080 1.133 873 H VAL 106 H VAL 106 4.689 10.960 -0.285 874 HA VAL 106 HA VAL 106 7.002 11.125 -2.034 875 HB VAL 106 HB VAL 106 4.731 9.123 -1.744 876 1HG1 VAL 106 1HG1 VAL 106 5.578 8.609 -3.862 877 2HG1 VAL 106 2HG1 VAL 106 6.592 7.613 -2.818 878 3HG1 VAL 106 3HG1 VAL 106 7.208 9.140 -3.450 879 1HG2 VAL 106 1HG2 VAL 106 7.490 8.451 -0.920 880 2HG2 VAL 106 2HG2 VAL 106 5.963 8.152 -0.088 881 3HG2 VAL 106 3HG2 VAL 106 6.736 9.733 0.028 882 H ALA 107 H ALA 107 3.462 11.067 -2.618 883 HA ALA 107 HA ALA 107 3.500 11.166 -5.460 884 1HB ALA 107 1HB ALA 107 1.591 12.338 -3.411 885 2HB ALA 107 2HB ALA 107 1.499 10.734 -4.141 886 3HB ALA 107 3HB ALA 107 1.219 12.169 -5.128 887 H ASN 108 H ASN 108 3.890 13.771 -3.064 888 HA ASN 108 HA ASN 108 3.611 15.990 -4.865 889 1HB ASN 108 2HB ASN 108 4.991 15.499 -2.225 890 2HB ASN 108 1HB ASN 108 5.072 17.075 -3.010 891 1HD2 ASN 108 1HD2 ASN 108 3.619 16.258 -0.473 892 2HD2 ASN 108 2HD2 ASN 108 2.003 16.705 -0.730 893 H SER 109 H SER 109 6.222 13.706 -4.372 894 HA SER 109 HA SER 109 8.235 15.445 -5.662 895 1HB SER 109 2HB SER 109 8.176 13.258 -3.853 896 2HB SER 109 1HB SER 109 9.026 12.697 -5.291 897 HG SER 109 HG SER 109 10.632 13.755 -4.431 898 H LEU 110 H LEU 110 6.417 12.440 -6.425 899 HA LEU 110 HA LEU 110 7.476 12.646 -9.230 900 1HB LEU 110 2HB LEU 110 7.321 10.254 -9.309 901 2HB LEU 110 1HB LEU 110 8.060 10.653 -7.761 902 HG LEU 110 HG LEU 110 5.152 10.587 -7.544 903 1HD1 LEU 110 1HD1 LEU 110 4.962 8.109 -7.822 904 2HD1 LEU 110 2HD1 LEU 110 6.574 8.099 -8.538 905 3HD1 LEU 110 3HD1 LEU 110 5.257 8.952 -9.344 906 1HD2 LEU 110 1HD2 LEU 110 5.647 9.463 -5.561 907 2HD2 LEU 110 2HD2 LEU 110 7.143 10.361 -5.822 908 3HD2 LEU 110 3HD2 LEU 110 7.054 8.653 -6.251 909 H LYS 111 H LYS 111 4.953 13.905 -7.953 910 HA LYS 111 HA LYS 111 2.698 14.252 -8.547 911 1HB LYS 111 2HB LYS 111 4.136 13.409 -11.059 912 2HB LYS 111 1HB LYS 111 2.416 13.785 -11.113 913 1HG LYS 111 2HG LYS 111 4.128 15.738 -9.673 914 2HG LYS 111 1HG LYS 111 4.345 15.661 -11.422 915 1HD LYS 111 2HD LYS 111 2.311 16.583 -11.836 916 2HD LYS 111 1HD LYS 111 1.524 15.637 -10.572 917 1HE LYS 111 2HE LYS 111 2.666 17.189 -8.881 918 2HE LYS 111 1HE LYS 111 3.059 18.233 -10.261 919 1HZ LYS 111 1HZ LYS 111 0.341 17.269 -9.525 920 2HZ LYS 111 2HZ LYS 111 0.711 18.227 -10.880 921 3HZ LYS 111 3HZ LYS 111 0.920 18.850 -9.313 Start of MODEL 13 1 1H MET 1 1H MET 1 20.887 9.613 -8.938 2 2H MET 1 2H MET 1 21.855 10.309 -10.147 3 3H MET 1 3H MET 1 21.729 8.619 -10.025 4 HA MET 1 HA MET 1 19.637 10.540 -10.905 5 1HB MET 1 2HB MET 1 21.675 9.111 -12.180 6 2HB MET 1 1HB MET 1 20.232 8.139 -12.464 7 1HG MET 1 2HG MET 1 20.227 9.668 -14.259 8 2HG MET 1 1HG MET 1 19.099 10.382 -13.106 9 1HE MET 1 1HE MET 1 19.617 12.629 -11.675 10 2HE MET 1 2HE MET 1 18.964 12.575 -13.311 11 3HE MET 1 3HE MET 1 20.182 13.778 -12.895 12 H ASN 2 H ASN 2 20.273 7.058 -10.253 13 HA ASN 2 HA ASN 2 17.341 6.729 -9.691 14 1HB ASN 2 2HB ASN 2 19.484 4.888 -10.787 15 2HB ASN 2 1HB ASN 2 17.901 4.302 -10.274 16 1HD2 ASN 2 1HD2 ASN 2 19.617 5.928 -12.838 17 2HD2 ASN 2 2HD2 ASN 2 18.274 6.199 -13.838 18 H GLU 3 H GLU 3 17.131 6.826 -7.467 19 HA GLU 3 HA GLU 3 18.539 4.814 -5.836 20 1HB GLU 3 2HB GLU 3 19.447 6.585 -4.302 21 2HB GLU 3 1HB GLU 3 20.162 6.635 -5.911 22 1HG GLU 3 2HG GLU 3 17.867 8.274 -6.051 23 2HG GLU 3 1HG GLU 3 18.655 8.684 -4.527 24 H VAL 4 H VAL 4 15.960 4.561 -6.108 25 HA VAL 4 HA VAL 4 14.292 6.249 -4.420 26 HB VAL 4 HB VAL 4 13.985 3.568 -5.797 27 1HG1 VAL 4 1HG1 VAL 4 12.523 3.441 -3.887 28 2HG1 VAL 4 2HG1 VAL 4 11.521 3.851 -5.278 29 3HG1 VAL 4 3HG1 VAL 4 11.978 5.103 -4.123 30 1HG2 VAL 4 1HG2 VAL 4 12.690 4.782 -7.386 31 2HG2 VAL 4 2HG2 VAL 4 14.087 5.808 -7.064 32 3HG2 VAL 4 3HG2 VAL 4 12.533 6.172 -6.312 33 H SER 5 H SER 5 13.835 5.988 -2.259 34 HA SER 5 HA SER 5 14.987 3.594 -0.853 35 1HB SER 5 2HB SER 5 15.197 5.174 1.058 36 2HB SER 5 1HB SER 5 16.063 5.758 -0.359 37 HG SER 5 HG SER 5 14.509 7.213 0.880 38 H VAL 6 H VAL 6 13.728 3.330 1.385 39 HA VAL 6 HA VAL 6 10.866 3.029 0.703 40 HB VAL 6 HB VAL 6 12.620 2.219 3.042 41 1HG1 VAL 6 1HG1 VAL 6 10.563 0.826 3.681 42 2HG1 VAL 6 2HG1 VAL 6 9.643 1.880 2.608 43 3HG1 VAL 6 3HG1 VAL 6 10.463 2.555 4.016 44 1HG2 VAL 6 1HG2 VAL 6 13.032 0.867 1.110 45 2HG2 VAL 6 2HG2 VAL 6 11.313 0.774 0.725 46 3HG2 VAL 6 3HG2 VAL 6 11.949 -0.077 2.133 47 H ILE 7 H ILE 7 9.390 4.574 1.245 48 HA ILE 7 HA ILE 7 10.133 6.859 2.926 49 HB ILE 7 HB ILE 7 7.615 5.964 1.488 50 1HG1 ILE 7 2HG1 ILE 7 9.356 6.608 -0.044 51 2HG1 ILE 7 1HG1 ILE 7 8.223 7.954 0.037 52 1HG2 ILE 7 1HG2 ILE 7 6.869 8.355 1.877 53 2HG2 ILE 7 2HG2 ILE 7 8.171 8.491 3.058 54 3HG2 ILE 7 3HG2 ILE 7 6.866 7.333 3.314 55 1HD1 ILE 7 1HD1 ILE 7 9.871 8.715 2.008 56 2HD1 ILE 7 2HD1 ILE 7 10.190 9.123 0.323 57 3HD1 ILE 7 3HD1 ILE 7 11.017 7.757 1.070 58 H LYS 8 H LYS 8 7.769 4.169 3.154 59 HA LYS 8 HA LYS 8 7.925 4.326 6.116 60 1HB LYS 8 2HB LYS 8 5.868 5.531 4.522 61 2HB LYS 8 1HB LYS 8 5.158 4.172 5.391 62 1HG LYS 8 2HG LYS 8 4.950 5.759 7.042 63 2HG LYS 8 1HG LYS 8 6.593 5.231 7.402 64 1HD LYS 8 2HD LYS 8 7.389 7.285 6.941 65 2HD LYS 8 1HD LYS 8 6.688 7.220 5.325 66 1HE LYS 8 2HE LYS 8 5.499 9.031 6.164 67 2HE LYS 8 1HE LYS 8 4.436 7.728 6.731 68 1HZ LYS 8 1HZ LYS 8 5.082 9.232 8.544 69 2HZ LYS 8 2HZ LYS 8 6.721 8.864 8.269 70 3HZ LYS 8 3HZ LYS 8 5.652 7.655 8.805 71 H GLU 9 H GLU 9 7.633 2.313 7.033 72 HA GLU 9 HA GLU 9 6.492 0.123 5.338 73 1HB GLU 9 2HB GLU 9 8.367 -1.289 6.413 74 2HB GLU 9 1HB GLU 9 8.853 -0.145 5.164 75 1HG GLU 9 2HG GLU 9 9.393 1.511 6.978 76 2HG GLU 9 1HG GLU 9 9.066 0.248 8.164 77 H GLY 10 H GLY 10 5.050 -1.158 6.459 78 1HA GLY 10 2HA GLY 10 5.181 -1.553 9.328 79 2HA GLY 10 1HA GLY 10 3.918 -0.405 8.890 80 H TRP 11 H TRP 11 3.091 -2.698 10.090 81 HA TRP 11 HA TRP 11 2.415 -4.768 8.111 82 1HB TRP 11 2HB TRP 11 1.895 -4.233 11.034 83 2HB TRP 11 1HB TRP 11 1.053 -5.540 10.204 84 HD1 TRP 11 HD TRP 11 4.551 -4.417 11.265 85 HE1 TRP 11 1HE TRP 11 6.128 -6.453 11.190 86 HE3 TRP 11 3HE TRP 11 1.445 -7.862 9.128 87 HZ2 TRP 11 2HZ TRP 11 6.079 -9.182 10.340 88 HZ3 TRP 11 3HZ TRP 11 2.239 -10.171 8.695 89 HH2 TRP 11 HH TRP 11 4.553 -10.831 9.298 90 H LEU 12 H LEU 12 0.430 -4.995 7.086 91 HA LEU 12 HA LEU 12 -1.752 -3.050 7.776 92 1HB LEU 12 2HB LEU 12 -0.478 -3.774 5.133 93 2HB LEU 12 1HB LEU 12 -2.105 -3.101 5.200 94 HG LEU 12 HG LEU 12 0.396 -1.810 6.336 95 1HD1 LEU 12 1HD1 LEU 12 0.285 -1.728 3.880 96 2HD1 LEU 12 2HD1 LEU 12 -0.005 -0.128 4.562 97 3HD1 LEU 12 3HD1 LEU 12 -1.356 -1.090 3.966 98 1HD2 LEU 12 1HD2 LEU 12 -1.193 -0.888 7.713 99 2HD2 LEU 12 2HD2 LEU 12 -2.516 -1.264 6.614 100 3HD2 LEU 12 3HD2 LEU 12 -1.489 0.136 6.309 101 H HIS 13 H HIS 13 -3.917 -3.851 7.223 102 HA HIS 13 HA HIS 13 -4.079 -6.821 7.308 103 1HB HIS 13 2HB HIS 13 -5.738 -4.481 8.112 104 2HB HIS 13 1HB HIS 13 -6.610 -5.942 7.648 105 HD1 HIS 13 1HD HIS 13 -6.815 -7.699 9.418 106 HD2 HIS 13 2HD HIS 13 -3.670 -5.079 10.206 107 HE1 HIS 13 1HE HIS 13 -5.875 -8.365 11.672 108 H LYS 14 H LYS 14 -4.449 -7.898 5.441 109 HA LYS 14 HA LYS 14 -5.812 -6.478 3.174 110 1HB LYS 14 2HB LYS 14 -3.353 -7.533 3.193 111 2HB LYS 14 1HB LYS 14 -4.247 -9.017 2.858 112 1HG LYS 14 2HG LYS 14 -5.220 -6.802 1.234 113 2HG LYS 14 1HG LYS 14 -3.497 -7.073 0.983 114 1HD LYS 14 2HD LYS 14 -3.813 -9.214 0.142 115 2HD LYS 14 1HD LYS 14 -5.319 -9.453 1.028 116 1HE LYS 14 2HE LYS 14 -6.598 -8.352 -0.570 117 2HE LYS 14 1HE LYS 14 -5.255 -7.311 -1.076 118 1HZ LYS 14 1HZ LYS 14 -5.871 -9.204 -2.632 119 2HZ LYS 14 2HZ LYS 14 -5.200 -10.250 -1.478 120 3HZ LYS 14 3HZ LYS 14 -4.232 -9.067 -2.224 121 H ARG 15 H ARG 15 -7.648 -7.460 2.276 122 HA ARG 15 HA ARG 15 -8.921 -9.599 3.856 123 1HB ARG 15 2HB ARG 15 -9.951 -7.442 2.855 124 2HB ARG 15 1HB ARG 15 -9.944 -8.314 1.325 125 1HG ARG 15 2HG ARG 15 -10.997 -10.078 3.300 126 2HG ARG 15 1HG ARG 15 -11.819 -8.528 3.484 127 1HD ARG 15 2HD ARG 15 -11.907 -8.704 0.797 128 2HD ARG 15 1HD ARG 15 -11.873 -10.433 1.188 129 HE ARG 15 HE ARG 15 -13.981 -10.207 2.251 130 1HH1 ARG 15 1HH2 ARG 15 -12.587 -7.104 1.519 131 2HH1 ARG 15 2HH2 ARG 15 -14.027 -6.234 1.916 132 1HH2 ARG 15 1HH1 ARG 15 -15.850 -9.062 2.768 133 2HH2 ARG 15 2HH1 ARG 15 -15.869 -7.337 2.619 134 H GLY 16 H GLY 16 -9.303 -11.702 3.112 135 1HA GLY 16 2HA GLY 16 -7.599 -12.709 0.987 136 2HA GLY 16 1HA GLY 16 -8.748 -13.657 1.925 137 H GLU 17 H GLU 17 -8.822 -14.410 -0.541 138 HA GLU 17 HA GLU 17 -10.694 -12.782 -2.173 139 1HB GLU 17 2HB GLU 17 -9.607 -15.526 -2.829 140 2HB GLU 17 1HB GLU 17 -10.043 -14.227 -3.938 141 1HG GLU 17 2HG GLU 17 -8.138 -12.878 -2.870 142 2HG GLU 17 1HG GLU 17 -7.623 -14.393 -2.130 143 H TYR 18 H TYR 18 -10.613 -15.851 -0.385 144 HA TYR 18 HA TYR 18 -13.578 -16.092 -0.793 145 1HB TYR 18 2HB TYR 18 -13.122 -18.580 -0.808 146 2HB TYR 18 1HB TYR 18 -12.418 -17.716 -2.172 147 HD1 TYR 18 1HD TYR 18 -10.056 -17.661 -2.520 148 HD2 TYR 18 2HD TYR 18 -11.652 -19.167 1.175 149 HE1 TYR 18 1HE TYR 18 -7.806 -18.487 -1.880 150 HE2 TYR 18 2HE TYR 18 -9.404 -19.989 1.812 151 HH TYR 18 HH TYR 18 -7.109 -20.641 0.025 152 H ILE 19 H ILE 19 -11.560 -15.197 1.532 153 HA ILE 19 HA ILE 19 -12.689 -17.016 3.631 154 HB ILE 19 HB ILE 19 -10.188 -16.800 3.280 155 1HG1 ILE 19 2HG1 ILE 19 -11.113 -15.804 5.987 156 2HG1 ILE 19 1HG1 ILE 19 -11.330 -17.471 5.453 157 1HG2 ILE 19 1HG2 ILE 19 -10.285 -14.183 4.719 158 2HG2 ILE 19 2HG2 ILE 19 -10.576 -14.170 2.980 159 3HG2 ILE 19 3HG2 ILE 19 -9.063 -14.813 3.615 160 1HD1 ILE 19 1HD1 ILE 19 -8.711 -17.173 4.881 161 2HD1 ILE 19 2HD1 ILE 19 -9.282 -17.729 6.454 162 3HD1 ILE 19 3HD1 ILE 19 -8.840 -16.038 6.225 163 H LYS 20 H LYS 20 -12.740 -13.727 2.469 164 HA LYS 20 HA LYS 20 -13.845 -11.802 3.260 165 1HB LYS 20 2HB LYS 20 -15.314 -14.000 4.757 166 2HB LYS 20 1HB LYS 20 -15.871 -12.330 4.662 167 1HG LYS 20 2HG LYS 20 -16.190 -12.459 2.305 168 2HG LYS 20 1HG LYS 20 -15.277 -13.964 2.188 169 1HD LYS 20 2HD LYS 20 -17.750 -13.837 3.894 170 2HD LYS 20 1HD LYS 20 -17.892 -14.064 2.151 171 1HE LYS 20 2HE LYS 20 -16.659 -16.112 2.211 172 2HE LYS 20 1HE LYS 20 -16.092 -15.805 3.864 173 1HZ LYS 20 1HZ LYS 20 -18.942 -16.126 3.074 174 2HZ LYS 20 2HZ LYS 20 -18.357 -15.896 4.653 175 3HZ LYS 20 3HZ LYS 20 -18.002 -17.329 3.813 176 H THR 21 H THR 21 -11.398 -12.560 4.600 177 HA THR 21 HA THR 21 -11.885 -11.319 7.279 178 HB THR 21 HB THR 21 -9.998 -13.635 6.752 179 HG1 THR 21 1HG THR 21 -12.678 -13.605 7.671 180 1HG2 THR 21 1HG2 THR 21 -9.523 -12.200 8.718 181 2HG2 THR 21 2HG2 THR 21 -10.004 -13.829 9.193 182 3HG2 THR 21 3HG2 THR 21 -11.157 -12.499 9.311 183 H TRP 22 H TRP 22 -10.148 -9.984 7.983 184 HA TRP 22 HA TRP 22 -8.217 -9.223 5.850 185 1HB TRP 22 2HB TRP 22 -9.125 -7.931 8.443 186 2HB TRP 22 1HB TRP 22 -7.952 -7.211 7.341 187 HD1 TRP 22 HD TRP 22 -11.647 -8.102 7.632 188 HE1 TRP 22 1HE TRP 22 -12.957 -6.861 5.794 189 HE3 TRP 22 3HE TRP 22 -7.768 -6.130 4.966 190 HZ2 TRP 22 2HZ TRP 22 -12.431 -5.245 3.496 191 HZ3 TRP 22 3HZ TRP 22 -8.199 -4.746 2.956 192 HH2 TRP 22 HH TRP 22 -10.524 -4.302 2.217 193 H ARG 23 H ARG 23 -6.209 -10.118 5.981 194 HA ARG 23 HA ARG 23 -5.186 -11.016 8.644 195 1HB ARG 23 2HB ARG 23 -3.871 -12.579 7.394 196 2HB ARG 23 1HB ARG 23 -5.466 -12.585 6.647 197 1HG ARG 23 2HG ARG 23 -4.526 -10.812 5.031 198 2HG ARG 23 1HG ARG 23 -2.938 -11.272 5.644 199 1HD ARG 23 2HD ARG 23 -2.925 -13.059 4.258 200 2HD ARG 23 1HD ARG 23 -4.392 -13.677 5.044 201 HE ARG 23 HE ARG 23 -5.348 -11.645 3.431 202 1HH1 ARG 23 1HH2 ARG 23 -3.396 -14.481 2.928 203 2HH1 ARG 23 2HH2 ARG 23 -3.859 -14.650 1.269 204 1HH2 ARG 23 1HH1 ARG 23 -5.928 -11.864 1.270 205 2HH2 ARG 23 2HH1 ARG 23 -5.299 -13.180 0.334 206 HA PRO 24 HA PRO 24 -2.324 -7.654 8.533 207 1HB PRO 24 2HB PRO 24 -0.580 -8.569 10.437 208 2HB PRO 24 1HB PRO 24 -2.170 -7.881 10.825 209 1HG PRO 24 2HG PRO 24 -1.329 -10.732 10.670 210 2HG PRO 24 1HG PRO 24 -2.413 -9.936 11.822 211 1HD PRO 24 2HD PRO 24 -3.298 -11.442 9.736 212 2HD PRO 24 1HD PRO 24 -4.225 -10.092 10.427 213 H ARG 25 H ARG 25 -0.640 -7.262 7.178 214 HA ARG 25 HA ARG 25 1.375 -9.401 6.631 215 1HB ARG 25 2HB ARG 25 -0.714 -8.327 4.905 216 2HB ARG 25 1HB ARG 25 0.882 -8.055 4.208 217 1HG ARG 25 2HG ARG 25 1.167 -10.246 3.749 218 2HG ARG 25 1HG ARG 25 0.605 -10.735 5.347 219 1HD ARG 25 2HD ARG 25 -1.331 -11.429 4.408 220 2HD ARG 25 1HD ARG 25 -1.674 -9.758 3.931 221 HE ARG 25 HE ARG 25 -0.286 -11.790 2.244 222 1HH1 ARG 25 1HH2 ARG 25 -1.567 -8.573 2.663 223 2HH1 ARG 25 2HH2 ARG 25 -1.525 -8.214 0.975 224 1HH2 ARG 25 1HH1 ARG 25 -0.223 -11.288 0.044 225 2HH2 ARG 25 2HH1 ARG 25 -0.764 -9.735 -0.503 226 H TYR 26 H TYR 26 3.461 -8.548 6.247 227 HA TYR 26 HA TYR 26 3.978 -5.847 7.180 228 1HB TYR 26 2HB TYR 26 5.431 -7.874 7.483 229 2HB TYR 26 1HB TYR 26 5.776 -7.840 5.755 230 HD1 TYR 26 1HD TYR 26 7.974 -7.132 5.446 231 HD2 TYR 26 2HD TYR 26 5.505 -5.104 8.318 232 HE1 TYR 26 1HE TYR 26 9.784 -5.486 5.841 233 HE2 TYR 26 2HE TYR 26 7.315 -3.456 8.709 234 HH TYR 26 HH TYR 26 9.730 -2.877 6.755 235 H PHE 27 H PHE 27 3.581 -4.084 5.894 236 HA PHE 27 HA PHE 27 3.975 -4.355 2.935 237 1HB PHE 27 2HB PHE 27 2.071 -2.982 4.744 238 2HB PHE 27 1HB PHE 27 2.556 -2.059 3.323 239 HD1 PHE 27 1HD PHE 27 1.233 -5.386 4.391 240 HD2 PHE 27 2HD PHE 27 1.652 -2.544 1.198 241 HE1 PHE 27 1HE PHE 27 -0.294 -6.742 2.985 242 HE2 PHE 27 2HE PHE 27 0.125 -3.899 -0.209 243 HZ PHE 27 HZ PHE 27 -0.849 -5.997 0.685 244 H LEU 28 H LEU 28 5.132 -2.712 1.822 245 HA LEU 28 HA LEU 28 6.611 -0.722 3.508 246 1HB LEU 28 2HB LEU 28 7.672 -2.741 1.518 247 2HB LEU 28 1HB LEU 28 8.614 -1.343 2.036 248 HG LEU 28 HG LEU 28 7.708 -2.380 4.436 249 1HD1 LEU 28 1HD1 LEU 28 6.989 -4.487 3.936 250 2HD1 LEU 28 2HD1 LEU 28 8.712 -4.857 3.885 251 3HD1 LEU 28 3HD1 LEU 28 7.840 -4.517 2.391 252 1HD2 LEU 28 1HD2 LEU 28 10.260 -2.579 2.862 253 2HD2 LEU 28 2HD2 LEU 28 10.129 -3.437 4.397 254 3HD2 LEU 28 3HD2 LEU 28 9.935 -1.685 4.347 255 H LEU 29 H LEU 29 6.631 1.288 2.592 256 HA LEU 29 HA LEU 29 5.674 1.600 -0.235 257 1HB LEU 29 2HB LEU 29 4.414 2.537 1.801 258 2HB LEU 29 1HB LEU 29 5.766 3.652 1.999 259 HG LEU 29 HG LEU 29 4.465 3.426 -0.696 260 1HD1 LEU 29 1HD1 LEU 29 3.164 5.554 0.457 261 2HD1 LEU 29 2HD1 LEU 29 3.186 4.390 1.781 262 3HD1 LEU 29 3HD1 LEU 29 2.459 3.954 0.234 263 1HD2 LEU 29 1HD2 LEU 29 5.666 5.305 -1.096 264 2HD2 LEU 29 2HD2 LEU 29 6.510 4.958 0.414 265 3HD2 LEU 29 3HD2 LEU 29 5.130 6.057 0.408 266 H LYS 30 H LYS 30 7.122 2.541 -1.705 267 HA LYS 30 HA LYS 30 9.734 3.490 -0.585 268 1HB LYS 30 2HB LYS 30 8.880 2.351 -3.256 269 2HB LYS 30 1HB LYS 30 10.498 2.991 -2.952 270 1HG LYS 30 2HG LYS 30 10.190 1.361 -0.788 271 2HG LYS 30 1HG LYS 30 9.252 0.482 -1.994 272 1HD LYS 30 2HD LYS 30 11.566 1.275 -3.357 273 2HD LYS 30 1HD LYS 30 12.140 0.774 -1.767 274 1HE LYS 30 2HE LYS 30 12.121 -1.244 -3.031 275 2HE LYS 30 1HE LYS 30 10.604 -1.310 -2.114 276 1HZ LYS 30 1HZ LYS 30 11.016 -0.536 -4.939 277 2HZ LYS 30 2HZ LYS 30 9.639 -0.021 -4.088 278 3HZ LYS 30 3HZ LYS 30 9.937 -1.679 -4.304 279 H SER 31 H SER 31 10.807 5.270 -1.792 280 HA SER 31 HA SER 31 9.150 7.610 -1.985 281 1HB SER 31 2HB SER 31 11.805 7.000 -1.663 282 2HB SER 31 1HB SER 31 11.789 7.639 -3.304 283 HG SER 31 HG SER 31 11.790 9.492 -2.296 284 H ASP 32 H ASP 32 9.637 5.147 -4.322 285 HA ASP 32 HA ASP 32 9.460 6.922 -6.671 286 1HB ASP 32 2HB ASP 32 10.778 4.846 -6.686 287 2HB ASP 32 1HB ASP 32 9.335 3.910 -6.301 288 H GLY 33 H GLY 33 7.254 5.452 -4.468 289 1HA GLY 33 2HA GLY 33 4.890 5.989 -4.517 290 2HA GLY 33 1HA GLY 33 4.995 6.158 -6.271 291 H SER 34 H SER 34 6.269 3.495 -4.281 292 HA SER 34 HA SER 34 4.282 1.679 -5.601 293 1HB SER 34 2HB SER 34 5.993 0.325 -6.357 294 2HB SER 34 1HB SER 34 6.846 1.863 -6.360 295 HG SER 34 HG SER 34 7.291 -0.359 -4.886 296 H PHE 35 H PHE 35 3.319 0.228 -4.225 297 HA PHE 35 HA PHE 35 4.300 0.150 -1.388 298 1HB PHE 35 2HB PHE 35 1.881 0.952 -2.461 299 2HB PHE 35 1HB PHE 35 1.549 -0.719 -2.012 300 HD1 PHE 35 1HD PHE 35 3.323 -1.037 0.361 301 HD2 PHE 35 2HD PHE 35 0.772 2.215 -0.809 302 HE1 PHE 35 1HE PHE 35 3.102 -0.355 2.733 303 HE2 PHE 35 2HE PHE 35 0.549 2.895 1.563 304 HZ PHE 35 HZ PHE 35 1.714 1.612 3.334 305 H ILE 36 H ILE 36 5.222 -1.807 -0.885 306 HA ILE 36 HA ILE 36 4.407 -4.223 -2.465 307 HB ILE 36 HB ILE 36 6.810 -3.867 -0.648 308 1HG1 ILE 36 2HG1 ILE 36 6.952 -2.071 -2.281 309 2HG1 ILE 36 1HG1 ILE 36 8.080 -3.338 -2.759 310 1HG2 ILE 36 1HG2 ILE 36 6.214 -5.694 -2.997 311 2HG2 ILE 36 2HG2 ILE 36 6.287 -6.167 -1.300 312 3HG2 ILE 36 3HG2 ILE 36 7.748 -5.634 -2.130 313 1HD1 ILE 36 1HD1 ILE 36 7.076 -3.213 -4.787 314 2HD1 ILE 36 2HD1 ILE 36 5.679 -2.353 -4.140 315 3HD1 ILE 36 3HD1 ILE 36 5.758 -4.111 -4.035 316 H GLY 37 H GLY 37 3.623 -6.047 -1.366 317 1HA GLY 37 2HA GLY 37 3.217 -5.745 1.588 318 2HA GLY 37 1HA GLY 37 2.010 -6.469 0.528 319 H TYR 38 H TYR 38 4.020 -7.372 2.822 320 HA TYR 38 HA TYR 38 4.908 -9.898 1.451 321 1HB TYR 38 2HB TYR 38 6.084 -8.032 3.462 322 2HB TYR 38 1HB TYR 38 6.408 -9.747 3.702 323 HD1 TYR 38 1HD TYR 38 7.884 -10.956 2.255 324 HD2 TYR 38 2HD TYR 38 6.741 -6.923 1.311 325 HE1 TYR 38 1HE TYR 38 9.634 -10.871 0.500 326 HE2 TYR 38 2HE TYR 38 8.491 -6.840 -0.444 327 HH TYR 38 HH TYR 38 9.903 -9.416 -1.759 328 H LYS 39 H LYS 39 4.027 -11.795 2.278 329 HA LYS 39 HA LYS 39 1.926 -11.760 4.241 330 1HB LYS 39 2HB LYS 39 2.004 -14.178 3.982 331 2HB LYS 39 1HB LYS 39 2.290 -13.445 2.405 332 1HG LYS 39 2HG LYS 39 4.733 -13.732 2.728 333 2HG LYS 39 1HG LYS 39 4.426 -14.501 4.286 334 1HD LYS 39 2HD LYS 39 2.970 -16.176 3.033 335 2HD LYS 39 1HD LYS 39 3.634 -15.505 1.543 336 1HE LYS 39 2HE LYS 39 5.618 -16.588 1.823 337 2HE LYS 39 1HE LYS 39 5.701 -16.152 3.542 338 1HZ LYS 39 1HZ LYS 39 5.370 -18.538 3.265 339 2HZ LYS 39 2HZ LYS 39 3.951 -18.257 2.373 340 3HZ LYS 39 3HZ LYS 39 4.026 -17.830 4.018 341 H GLU 40 H GLU 40 5.406 -12.274 4.468 342 HA GLU 40 HA GLU 40 5.154 -12.489 7.451 343 1HB GLU 40 2HB GLU 40 5.999 -14.443 5.783 344 2HB GLU 40 1HB GLU 40 7.522 -13.578 5.989 345 1HG GLU 40 2HG GLU 40 6.484 -13.718 8.574 346 2HG GLU 40 1HG GLU 40 6.099 -15.292 7.877 347 H ARG 41 H ARG 41 7.899 -12.132 8.008 348 HA ARG 41 HA ARG 41 8.448 -9.413 6.863 349 1HB ARG 41 2HB ARG 41 7.929 -10.310 9.541 350 2HB ARG 41 1HB ARG 41 9.595 -9.733 9.461 351 1HG ARG 41 2HG ARG 41 8.328 -7.807 8.015 352 2HG ARG 41 1HG ARG 41 7.065 -8.231 9.166 353 1HD ARG 41 2HD ARG 41 8.257 -6.594 10.344 354 2HD ARG 41 1HD ARG 41 9.040 -8.077 10.923 355 HE ARG 41 HE ARG 41 10.633 -7.684 8.883 356 1HH1 ARG 41 1HH2 ARG 41 9.164 -5.180 10.821 357 2HH1 ARG 41 2HH2 ARG 41 10.359 -4.004 10.401 358 1HH2 ARG 41 1HH1 ARG 41 12.169 -6.141 8.360 359 2HH2 ARG 41 2HH1 ARG 41 12.055 -4.546 9.021 360 HA PRO 42 HA PRO 42 12.088 -12.269 6.275 361 1HB PRO 42 2HB PRO 42 12.230 -12.103 3.549 362 2HB PRO 42 1HB PRO 42 11.235 -13.309 4.389 363 1HG PRO 42 2HG PRO 42 10.426 -10.789 3.053 364 2HG PRO 42 1HG PRO 42 9.569 -12.331 3.176 365 1HD PRO 42 2HD PRO 42 9.018 -10.090 4.694 366 2HD PRO 42 1HD PRO 42 8.570 -11.753 5.128 367 H GLU 43 H GLU 43 14.213 -11.462 5.955 368 HA GLU 43 HA GLU 43 14.420 -8.600 5.060 369 1HB GLU 43 2HB GLU 43 15.184 -10.008 7.532 370 2HB GLU 43 1HB GLU 43 16.482 -9.023 6.858 371 1HG GLU 43 2HG GLU 43 15.403 -7.408 8.105 372 2HG GLU 43 1HG GLU 43 14.502 -7.249 6.598 373 H ALA 44 H ALA 44 16.005 -11.788 5.222 374 HA ALA 44 HA ALA 44 17.625 -12.759 3.812 375 1HB ALA 44 1HB ALA 44 16.174 -11.276 2.178 376 2HB ALA 44 2HB ALA 44 17.709 -11.942 1.624 377 3HB ALA 44 3HB ALA 44 17.614 -10.259 2.141 378 HA PRO 45 HA PRO 45 21.449 -11.056 5.143 379 1HB PRO 45 2HB PRO 45 23.193 -11.925 3.219 380 2HB PRO 45 1HB PRO 45 22.475 -13.002 4.434 381 1HG PRO 45 2HG PRO 45 21.746 -12.616 1.580 382 2HG PRO 45 1HG PRO 45 21.748 -14.091 2.558 383 1HD PRO 45 2HD PRO 45 19.491 -12.667 1.932 384 2HD PRO 45 1HD PRO 45 19.644 -13.719 3.355 385 H ASP 46 H ASP 46 20.969 -10.600 1.613 386 HA ASP 46 HA ASP 46 22.150 -7.853 1.892 387 1HB ASP 46 2HB ASP 46 22.132 -9.858 -0.389 388 2HB ASP 46 1HB ASP 46 22.706 -8.201 -0.559 389 H GLN 47 H GLN 47 20.169 -9.469 -0.620 390 HA GLN 47 HA GLN 47 17.780 -7.908 -0.038 391 1HB GLN 47 2HB GLN 47 19.729 -6.471 -1.224 392 2HB GLN 47 1HB GLN 47 18.988 -7.171 -2.663 393 1HG GLN 47 2HG GLN 47 17.590 -5.370 -2.468 394 2HG GLN 47 1HG GLN 47 16.758 -6.424 -1.324 395 1HE2 GLN 47 1HE2 GLN 47 16.894 -5.900 0.943 396 2HE2 GLN 47 2HE2 GLN 47 17.632 -4.481 1.506 397 H THR 48 H THR 48 18.226 -10.673 -0.434 398 HA THR 48 HA THR 48 17.171 -11.248 -3.169 399 HB THR 48 HB THR 48 19.220 -12.385 -2.311 400 HG1 THR 48 1HG THR 48 18.393 -13.760 -3.663 401 1HG2 THR 48 1HG2 THR 48 17.489 -12.791 -0.008 402 2HG2 THR 48 2HG2 THR 48 19.240 -12.947 -0.132 403 3HG2 THR 48 3HG2 THR 48 18.201 -14.305 -0.563 404 H LEU 49 H LEU 49 15.261 -10.057 -1.796 405 HA LEU 49 HA LEU 49 13.594 -12.099 -0.398 406 1HB LEU 49 2HB LEU 49 13.348 -9.089 -0.720 407 2HB LEU 49 1HB LEU 49 12.305 -10.089 0.291 408 HG LEU 49 HG LEU 49 15.015 -10.714 0.945 409 1HD1 LEU 49 1HD1 LEU 49 15.489 -8.325 1.898 410 2HD1 LEU 49 2HD1 LEU 49 14.398 -7.787 0.621 411 3HD1 LEU 49 3HD1 LEU 49 15.872 -8.662 0.210 412 1HD2 LEU 49 1HD2 LEU 49 12.547 -10.235 2.198 413 2HD2 LEU 49 2HD2 LEU 49 13.635 -9.017 2.861 414 3HD2 LEU 49 3HD2 LEU 49 14.048 -10.726 2.984 415 HA PRO 50 HA PRO 50 11.297 -12.419 -4.223 416 1HB PRO 50 2HB PRO 50 9.470 -14.248 -3.319 417 2HB PRO 50 1HB PRO 50 11.124 -14.685 -3.792 418 1HG PRO 50 2HG PRO 50 9.970 -14.304 -1.080 419 2HG PRO 50 1HG PRO 50 11.171 -15.475 -1.643 420 1HD PRO 50 2HD PRO 50 11.782 -13.204 -0.237 421 2HD PRO 50 1HD PRO 50 12.910 -14.030 -1.334 422 HA PRO 51 HA PRO 51 8.149 -9.491 -2.987 423 1HB PRO 51 2HB PRO 51 7.215 -8.942 -5.497 424 2HB PRO 51 1HB PRO 51 8.730 -8.271 -4.861 425 1HG PRO 51 2HG PRO 51 8.303 -10.524 -6.747 426 2HG PRO 51 1HG PRO 51 9.586 -9.307 -6.710 427 1HD PRO 51 2HD PRO 51 9.869 -11.890 -5.814 428 2HD PRO 51 1HD PRO 51 10.867 -10.524 -5.276 429 H LEU 52 H LEU 52 6.086 -9.912 -2.314 430 HA LEU 52 HA LEU 52 4.608 -12.199 -3.560 431 1HB LEU 52 2HB LEU 52 5.284 -11.508 -0.926 432 2HB LEU 52 1HB LEU 52 3.572 -11.114 -1.054 433 HG LEU 52 HG LEU 52 4.194 -13.666 -2.326 434 1HD1 LEU 52 1HD1 LEU 52 5.922 -13.531 -0.437 435 2HD1 LEU 52 2HD1 LEU 52 4.839 -14.922 -0.407 436 3HD1 LEU 52 3HD1 LEU 52 4.552 -13.558 0.673 437 1HD2 LEU 52 1HD2 LEU 52 2.427 -13.102 0.064 438 2HD2 LEU 52 2HD2 LEU 52 2.232 -14.357 -1.160 439 3HD2 LEU 52 3HD2 LEU 52 1.948 -12.666 -1.577 440 H ASN 53 H ASN 53 3.810 -9.086 -1.939 441 HA ASN 53 HA ASN 53 1.530 -8.759 -3.865 442 1HB ASN 53 2HB ASN 53 1.128 -8.907 -1.374 443 2HB ASN 53 1HB ASN 53 2.065 -7.428 -1.188 444 1HD2 ASN 53 1HD2 ASN 53 1.203 -5.495 -2.574 445 2HD2 ASN 53 2HD2 ASN 53 -0.482 -5.366 -2.728 446 H ASN 54 H ASN 54 1.765 -7.143 -5.381 447 HA ASN 54 HA ASN 54 3.772 -4.977 -4.823 448 1HB ASN 54 2HB ASN 54 3.197 -6.724 -7.193 449 2HB ASN 54 1HB ASN 54 3.798 -5.093 -7.485 450 1HD2 ASN 54 1HD2 ASN 54 5.929 -4.523 -6.475 451 2HD2 ASN 54 2HD2 ASN 54 7.033 -5.756 -6.105 452 H PHE 55 H PHE 55 2.965 -2.919 -4.964 453 HA PHE 55 HA PHE 55 0.413 -2.469 -6.472 454 1HB PHE 55 2HB PHE 55 0.137 -2.770 -3.966 455 2HB PHE 55 1HB PHE 55 1.110 -1.315 -3.755 456 HD1 PHE 55 1HD PHE 55 0.240 0.880 -4.304 457 HD2 PHE 55 2HD PHE 55 -2.084 -2.657 -5.042 458 HE1 PHE 55 1HE PHE 55 -1.767 2.281 -4.697 459 HE2 PHE 55 2HE PHE 55 -4.091 -1.256 -5.435 460 HZ PHE 55 HZ PHE 55 -3.933 1.214 -5.263 461 H SER 56 H SER 56 0.217 -0.333 -7.350 462 HA SER 56 HA SER 56 2.709 1.342 -7.233 463 1HB SER 56 2HB SER 56 2.356 0.063 -9.353 464 2HB SER 56 1HB SER 56 0.801 0.865 -9.550 465 HG SER 56 HG SER 56 1.836 2.513 -10.329 466 H VAL 57 H VAL 57 2.280 3.345 -6.376 467 HA VAL 57 HA VAL 57 -0.542 4.345 -6.443 468 HB VAL 57 HB VAL 57 0.948 3.905 -4.307 469 1HG1 VAL 57 1HG1 VAL 57 2.445 5.571 -3.664 470 2HG1 VAL 57 2HG1 VAL 57 1.725 6.775 -4.733 471 3HG1 VAL 57 3HG1 VAL 57 2.740 5.498 -5.401 472 1HG2 VAL 57 1HG2 VAL 57 -0.255 5.709 -3.140 473 2HG2 VAL 57 2HG2 VAL 57 -1.309 4.915 -4.309 474 3HG2 VAL 57 3HG2 VAL 57 -0.601 6.486 -4.684 475 H ALA 58 H ALA 58 1.735 4.610 -8.568 476 HA ALA 58 HA ALA 58 2.413 7.439 -8.661 477 1HB ALA 58 1HB ALA 58 3.105 6.767 -11.006 478 2HB ALA 58 2HB ALA 58 2.436 5.168 -10.677 479 3HB ALA 58 3HB ALA 58 3.802 5.764 -9.733 480 H GLU 59 H GLU 59 0.844 8.968 -9.009 481 HA GLU 59 HA GLU 59 -1.030 10.067 -9.920 482 1HB GLU 59 2HB GLU 59 0.464 9.242 -11.942 483 2HB GLU 59 1HB GLU 59 -0.890 8.149 -12.232 484 1HG GLU 59 2HG GLU 59 -2.209 10.506 -11.814 485 2HG GLU 59 1HG GLU 59 -0.726 11.082 -12.576 486 H CYS 60 H CYS 60 -1.858 8.382 -8.017 487 HA CYS 60 HA CYS 60 -4.216 6.956 -9.210 488 1HB CYS 60 2HB CYS 60 -2.233 5.554 -8.359 489 2HB CYS 60 1HB CYS 60 -2.684 6.102 -6.744 490 H GLN 61 H GLN 61 -6.110 6.907 -7.780 491 HA GLN 61 HA GLN 61 -6.171 9.216 -5.879 492 1HB GLN 61 2HB GLN 61 -7.694 8.811 -7.991 493 2HB GLN 61 1HB GLN 61 -8.558 7.705 -6.922 494 1HG GLN 61 2HG GLN 61 -8.097 10.082 -5.437 495 2HG GLN 61 1HG GLN 61 -8.695 10.578 -7.020 496 1HE2 GLN 61 1HE2 GLN 61 -9.454 7.859 -4.741 497 2HE2 GLN 61 2HE2 GLN 61 -11.133 8.072 -4.835 498 H LEU 62 H LEU 62 -6.454 8.815 -3.704 499 HA LEU 62 HA LEU 62 -7.511 6.141 -2.862 500 1HB LEU 62 2HB LEU 62 -5.682 6.079 -1.164 501 2HB LEU 62 1HB LEU 62 -5.064 6.073 -2.813 502 HG LEU 62 HG LEU 62 -5.405 8.793 -1.828 503 1HD1 LEU 62 1HD1 LEU 62 -3.835 6.820 -0.180 504 2HD1 LEU 62 2HD1 LEU 62 -4.914 8.105 0.364 505 3HD1 LEU 62 3HD1 LEU 62 -3.324 8.505 -0.285 506 1HD2 LEU 62 1HD2 LEU 62 -2.989 8.879 -2.519 507 2HD2 LEU 62 2HD2 LEU 62 -4.053 8.240 -3.773 508 3HD2 LEU 62 3HD2 LEU 62 -3.058 7.142 -2.816 509 H MET 63 H MET 63 -8.474 6.154 -0.713 510 HA MET 63 HA MET 63 -8.752 8.740 0.695 511 1HB MET 63 2HB MET 63 -11.176 8.820 0.382 512 2HB MET 63 1HB MET 63 -10.394 8.760 -1.196 513 1HG MET 63 2HG MET 63 -10.871 6.072 -0.237 514 2HG MET 63 1HG MET 63 -12.369 6.999 -0.201 515 1HE MET 63 1HE MET 63 -12.721 8.845 -2.330 516 2HE MET 63 2HE MET 63 -13.782 7.467 -2.046 517 3HE MET 63 3HE MET 63 -13.259 7.845 -3.687 518 H LYS 64 H LYS 64 -9.538 8.463 2.847 519 HA LYS 64 HA LYS 64 -9.340 5.707 3.888 520 1HB LYS 64 2HB LYS 64 -9.400 6.860 6.070 521 2HB LYS 64 1HB LYS 64 -8.240 7.640 4.997 522 1HG LYS 64 2HG LYS 64 -10.586 8.990 4.420 523 2HG LYS 64 1HG LYS 64 -10.724 8.704 6.154 524 1HD LYS 64 2HD LYS 64 -9.503 10.666 6.189 525 2HD LYS 64 1HD LYS 64 -8.183 9.498 6.128 526 1HE LYS 64 2HE LYS 64 -8.320 9.713 3.563 527 2HE LYS 64 1HE LYS 64 -9.304 11.159 3.863 528 1HZ LYS 64 1HZ LYS 64 -7.582 12.090 5.200 529 2HZ LYS 64 2HZ LYS 64 -6.870 11.603 3.736 530 3HZ LYS 64 3HZ LYS 64 -6.666 10.663 5.138 531 H THR 65 H THR 65 -11.075 4.561 4.807 532 HA THR 65 HA THR 65 -13.776 5.851 4.748 533 HB THR 65 HB THR 65 -13.275 4.645 2.618 534 HG1 THR 65 1HG THR 65 -15.178 3.472 2.634 535 1HG2 THR 65 1HG2 THR 65 -13.317 2.055 2.904 536 2HG2 THR 65 2HG2 THR 65 -12.787 2.391 4.552 537 3HG2 THR 65 3HG2 THR 65 -11.801 2.910 3.185 538 H GLU 66 H GLU 66 -15.412 4.064 5.669 539 HA GLU 66 HA GLU 66 -14.145 2.839 8.101 540 1HB GLU 66 2HB GLU 66 -16.238 3.456 9.259 541 2HB GLU 66 1HB GLU 66 -15.484 4.876 8.538 542 1HG GLU 66 2HG GLU 66 -17.031 4.853 6.687 543 2HG GLU 66 1HG GLU 66 -17.675 3.284 7.175 544 H ARG 67 H ARG 67 -15.053 1.749 5.292 545 HA ARG 67 HA ARG 67 -16.570 -0.578 6.402 546 1HB ARG 67 2HB ARG 67 -17.261 1.357 4.276 547 2HB ARG 67 1HB ARG 67 -17.499 -0.333 3.832 548 1HG ARG 67 2HG ARG 67 -18.524 -0.248 6.394 549 2HG ARG 67 1HG ARG 67 -18.993 1.324 5.745 550 1HD ARG 67 2HD ARG 67 -20.297 0.383 4.041 551 2HD ARG 67 1HD ARG 67 -19.419 -1.159 4.087 552 HE ARG 67 HE ARG 67 -20.537 -0.862 6.642 553 1HH1 ARG 67 1HH2 ARG 67 -21.662 -1.046 3.356 554 2HH1 ARG 67 2HH2 ARG 67 -23.180 -1.751 3.790 555 1HH2 ARG 67 1HH1 ARG 67 -22.522 -1.781 7.197 556 2HH2 ARG 67 2HH1 ARG 67 -23.667 -2.167 5.957 557 HA PRO 68 HA PRO 68 -17.248 -2.494 5.656 558 1HB PRO 68 2HB PRO 68 -16.212 -4.885 6.498 559 2HB PRO 68 1HB PRO 68 -16.854 -4.623 4.865 560 1HG PRO 68 2HG PRO 68 -14.029 -4.648 5.805 561 2HG PRO 68 1HG PRO 68 -14.730 -5.303 4.317 562 1HD PRO 68 2HD PRO 68 -13.375 -2.951 4.408 563 2HD PRO 68 1HD PRO 68 -14.671 -3.282 3.240 564 H ARG 69 H ARG 69 -13.991 -2.109 6.928 565 HA ARG 69 HA ARG 69 -15.106 -2.050 9.716 566 1HB ARG 69 2HB ARG 69 -12.461 -2.889 8.530 567 2HB ARG 69 1HB ARG 69 -12.587 -2.464 10.236 568 1HG ARG 69 2HG ARG 69 -14.165 -4.205 10.656 569 2HG ARG 69 1HG ARG 69 -14.418 -4.486 8.934 570 1HD ARG 69 2HD ARG 69 -12.657 -5.908 8.832 571 2HD ARG 69 1HD ARG 69 -11.596 -4.753 9.658 572 HE ARG 69 HE ARG 69 -13.195 -6.860 10.954 573 1HH1 ARG 69 1HH2 ARG 69 -11.436 -3.873 11.292 574 2HH1 ARG 69 2HH2 ARG 69 -11.175 -4.083 12.988 575 1HH2 ARG 69 1HH1 ARG 69 -12.856 -7.113 13.169 576 2HH2 ARG 69 2HH1 ARG 69 -11.977 -5.908 14.048 577 HA PRO 70 HA PRO 70 -13.941 2.178 10.025 578 1HB PRO 70 2HB PRO 70 -12.937 2.328 12.574 579 2HB PRO 70 1HB PRO 70 -14.669 2.162 12.219 580 1HG PRO 70 2HG PRO 70 -12.693 0.068 13.005 581 2HG PRO 70 1HG PRO 70 -14.361 0.304 13.552 582 1HD PRO 70 2HD PRO 70 -13.700 -1.552 11.710 583 2HD PRO 70 1HD PRO 70 -15.259 -0.697 11.679 584 H ASN 71 H ASN 71 -12.078 3.600 9.991 585 HA ASN 71 HA ASN 71 -9.837 4.154 9.512 586 1HB ASN 71 2HB ASN 71 -9.436 1.743 11.321 587 2HB ASN 71 1HB ASN 71 -8.180 2.902 10.900 588 1HD2 ASN 71 1HD2 ASN 71 -10.970 2.363 12.948 589 2HD2 ASN 71 2HD2 ASN 71 -10.907 3.851 13.758 590 H THR 72 H THR 72 -10.792 3.103 7.336 591 HA THR 72 HA THR 72 -8.926 0.900 6.494 592 HB THR 72 HB THR 72 -11.822 1.520 5.870 593 HG1 THR 72 1HG THR 72 -12.071 -0.052 7.204 594 1HG2 THR 72 1HG2 THR 72 -11.623 -0.514 4.319 595 2HG2 THR 72 2HG2 THR 72 -9.882 -0.240 4.367 596 3HG2 THR 72 3HG2 THR 72 -10.951 1.002 3.718 597 H PHE 73 H PHE 73 -8.260 1.028 4.203 598 HA PHE 73 HA PHE 73 -8.342 3.831 3.118 599 1HB PHE 73 2HB PHE 73 -6.216 1.906 3.723 600 2HB PHE 73 1HB PHE 73 -6.107 2.542 2.083 601 HD1 PHE 73 1HD PHE 73 -7.085 3.969 5.428 602 HD2 PHE 73 2HD PHE 73 -4.646 4.337 1.909 603 HE1 PHE 73 1HE PHE 73 -6.126 6.076 6.309 604 HE2 PHE 73 2HE PHE 73 -3.690 6.446 2.795 605 HZ PHE 73 HZ PHE 73 -4.428 7.310 4.997 606 H VAL 74 H VAL 74 -9.255 3.998 1.109 607 HA VAL 74 HA VAL 74 -9.493 1.517 -0.571 608 HB VAL 74 HB VAL 74 -11.292 3.939 -0.206 609 1HG1 VAL 74 1HG1 VAL 74 -12.806 2.669 -1.814 610 2HG1 VAL 74 2HG1 VAL 74 -11.406 1.675 -2.216 611 3HG1 VAL 74 3HG1 VAL 74 -11.381 3.408 -2.546 612 1HG2 VAL 74 1HG2 VAL 74 -11.304 1.995 1.470 613 2HG2 VAL 74 2HG2 VAL 74 -11.930 1.002 0.155 614 3HG2 VAL 74 3HG2 VAL 74 -12.853 2.391 0.728 615 H ILE 75 H ILE 75 -8.855 1.710 -2.739 616 HA ILE 75 HA ILE 75 -7.913 4.400 -3.663 617 HB ILE 75 HB ILE 75 -6.049 3.056 -2.767 618 1HG1 ILE 75 2HG1 ILE 75 -5.558 2.791 -5.681 619 2HG1 ILE 75 1HG1 ILE 75 -6.075 4.385 -5.136 620 1HG2 ILE 75 1HG2 ILE 75 -6.945 1.016 -4.824 621 2HG2 ILE 75 2HG2 ILE 75 -6.947 0.817 -3.073 622 3HG2 ILE 75 3HG2 ILE 75 -5.420 0.940 -3.943 623 1HD1 ILE 75 1HD1 ILE 75 -4.185 4.712 -3.843 624 2HD1 ILE 75 2HD1 ILE 75 -3.504 3.699 -5.114 625 3HD1 ILE 75 3HD1 ILE 75 -3.950 2.986 -3.564 626 H ARG 76 H ARG 76 -8.316 4.823 -5.843 627 HA ARG 76 HA ARG 76 -9.762 2.680 -7.368 628 1HB ARG 76 2HB ARG 76 -10.716 5.054 -6.529 629 2HB ARG 76 1HB ARG 76 -9.992 5.579 -8.049 630 1HG ARG 76 2HG ARG 76 -12.189 4.972 -8.660 631 2HG ARG 76 1HG ARG 76 -11.227 3.563 -9.104 632 1HD ARG 76 2HD ARG 76 -12.667 2.348 -7.828 633 2HD ARG 76 1HD ARG 76 -11.897 3.108 -6.422 634 HE ARG 76 HE ARG 76 -13.986 4.719 -7.747 635 1HH1 ARG 76 1HH2 ARG 76 -13.125 2.518 -5.192 636 2HH1 ARG 76 2HH2 ARG 76 -14.497 2.923 -4.222 637 1HH2 ARG 76 1HH1 ARG 76 -15.768 5.238 -6.469 638 2HH2 ARG 76 2HH1 ARG 76 -15.989 4.454 -4.941 639 H CYS 77 H CYS 77 -7.632 1.911 -8.174 640 HA CYS 77 HA CYS 77 -6.300 3.768 -10.110 641 1HB CYS 77 2HB CYS 77 -5.428 1.883 -8.142 642 2HB CYS 77 1HB CYS 77 -4.918 1.287 -9.721 643 H LEU 78 H LEU 78 -6.135 3.184 -12.289 644 HA LEU 78 HA LEU 78 -6.660 2.088 -14.306 645 1HB LEU 78 2HB LEU 78 -5.939 0.096 -12.293 646 2HB LEU 78 1HB LEU 78 -7.006 -0.575 -13.526 647 HG LEU 78 HG LEU 78 -4.919 1.150 -14.650 648 1HD1 LEU 78 1HD1 LEU 78 -3.099 -0.526 -14.291 649 2HD1 LEU 78 2HD1 LEU 78 -4.141 -1.362 -13.140 650 3HD1 LEU 78 3HD1 LEU 78 -3.590 0.278 -12.801 651 1HD2 LEU 78 1HD2 LEU 78 -4.618 -0.974 -16.037 652 2HD2 LEU 78 2HD2 LEU 78 -6.225 -0.251 -16.092 653 3HD2 LEU 78 3HD2 LEU 78 -5.931 -1.671 -15.088 654 H GLN 79 H GLN 79 -8.379 0.189 -15.089 655 HA GLN 79 HA GLN 79 -10.999 0.796 -13.761 656 1HB GLN 79 2HB GLN 79 -9.975 1.428 -16.431 657 2HB GLN 79 1HB GLN 79 -11.493 0.532 -16.500 658 1HG GLN 79 2HG GLN 79 -11.106 2.943 -14.712 659 2HG GLN 79 1HG GLN 79 -11.716 3.070 -16.362 660 1HE2 GLN 79 1HE2 GLN 79 -13.956 2.813 -16.603 661 2HE2 GLN 79 2HE2 GLN 79 -14.976 2.116 -15.439 662 H TRP 80 H TRP 80 -12.600 -0.767 -15.451 663 HA TRP 80 HA TRP 80 -13.325 -2.993 -15.738 664 1HB TRP 80 2HB TRP 80 -11.166 -2.718 -17.189 665 2HB TRP 80 1HB TRP 80 -10.399 -3.710 -15.949 666 HD1 TRP 80 HD TRP 80 -10.667 -6.233 -16.185 667 HE1 TRP 80 1HE TRP 80 -12.164 -7.798 -17.583 668 HE3 TRP 80 3HE TRP 80 -13.767 -2.796 -18.342 669 HZ2 TRP 80 2HZ TRP 80 -14.383 -7.617 -19.380 670 HZ3 TRP 80 3HZ TRP 80 -15.562 -3.517 -19.889 671 HH2 TRP 80 HH TRP 80 -15.875 -5.921 -20.412 672 H THR 81 H THR 81 -13.654 -2.594 -13.232 673 HA THR 81 HA THR 81 -11.871 -4.052 -11.432 674 HB THR 81 HB THR 81 -13.896 -3.541 -9.871 675 HG1 THR 81 1HG THR 81 -15.508 -2.473 -10.716 676 1HG2 THR 81 1HG2 THR 81 -12.659 -1.148 -11.238 677 2HG2 THR 81 2HG2 THR 81 -11.732 -2.205 -10.172 678 3HG2 THR 81 3HG2 THR 81 -13.120 -1.317 -9.543 679 H THR 82 H THR 82 -11.903 -6.213 -12.357 680 HA THR 82 HA THR 82 -14.470 -7.679 -12.469 681 HB THR 82 HB THR 82 -12.756 -9.539 -13.110 682 HG1 THR 82 1HG THR 82 -10.791 -8.916 -12.740 683 1HG2 THR 82 1HG2 THR 82 -14.153 -8.331 -14.737 684 2HG2 THR 82 2HG2 THR 82 -12.532 -8.599 -15.380 685 3HG2 THR 82 3HG2 THR 82 -12.985 -7.010 -14.765 686 H VAL 83 H VAL 83 -11.498 -7.630 -10.499 687 HA VAL 83 HA VAL 83 -12.741 -9.625 -8.639 688 HB VAL 83 HB VAL 83 -10.407 -9.993 -7.902 689 1HG1 VAL 83 1HG1 VAL 83 -9.540 -10.942 -10.008 690 2HG1 VAL 83 2HG1 VAL 83 -10.718 -9.997 -10.920 691 3HG1 VAL 83 3HG1 VAL 83 -11.264 -11.271 -9.828 692 1HG2 VAL 83 1HG2 VAL 83 -9.499 -8.133 -10.098 693 2HG2 VAL 83 2HG2 VAL 83 -8.572 -8.774 -8.742 694 3HG2 VAL 83 3HG2 VAL 83 -9.787 -7.527 -8.467 695 H ILE 84 H ILE 84 -11.400 -9.077 -6.311 696 HA ILE 84 HA ILE 84 -12.136 -6.232 -5.694 697 HB ILE 84 HB ILE 84 -13.804 -7.728 -4.797 698 1HG1 ILE 84 2HG1 ILE 84 -13.429 -7.467 -2.309 699 2HG1 ILE 84 1HG1 ILE 84 -11.809 -6.877 -2.677 700 1HG2 ILE 84 1HG2 ILE 84 -12.593 -9.408 -2.966 701 2HG2 ILE 84 2HG2 ILE 84 -11.475 -9.456 -4.328 702 3HG2 ILE 84 3HG2 ILE 84 -13.168 -9.888 -4.562 703 1HD1 ILE 84 1HD1 ILE 84 -13.947 -5.238 -2.440 704 2HD1 ILE 84 2HD1 ILE 84 -14.040 -5.593 -4.164 705 3HD1 ILE 84 3HD1 ILE 84 -12.577 -4.876 -3.488 706 H GLU 85 H GLU 85 -10.118 -5.255 -5.530 707 HA GLU 85 HA GLU 85 -8.352 -6.124 -3.333 708 1HB GLU 85 2HB GLU 85 -7.895 -6.709 -6.178 709 2HB GLU 85 1HB GLU 85 -6.531 -5.895 -5.414 710 1HG GLU 85 2HG GLU 85 -6.973 -7.657 -3.487 711 2HG GLU 85 1HG GLU 85 -7.730 -8.569 -4.793 712 H ARG 86 H ARG 86 -9.876 -3.671 -3.827 713 HA ARG 86 HA ARG 86 -7.626 -1.727 -4.250 714 1HB ARG 86 2HB ARG 86 -9.242 -0.247 -5.231 715 2HB ARG 86 1HB ARG 86 -9.505 -1.831 -5.952 716 1HG ARG 86 2HG ARG 86 -11.377 -2.239 -4.407 717 2HG ARG 86 1HG ARG 86 -11.101 -0.670 -3.646 718 1HD ARG 86 2HD ARG 86 -11.601 0.489 -5.740 719 2HD ARG 86 1HD ARG 86 -11.769 -1.058 -6.590 720 HE ARG 86 HE ARG 86 -13.701 0.090 -4.688 721 1HH1 ARG 86 1HH2 ARG 86 -12.529 -2.761 -6.311 722 2HH1 ARG 86 2HH2 ARG 86 -14.033 -3.603 -6.168 723 1HH2 ARG 86 1HH1 ARG 86 -15.654 -1.016 -4.515 724 2HH2 ARG 86 2HH1 ARG 86 -15.800 -2.614 -5.166 725 H THR 87 H THR 87 -9.027 -3.105 -1.739 726 HA THR 87 HA THR 87 -9.177 -0.569 -0.145 727 HB THR 87 HB THR 87 -10.929 -3.025 0.210 728 HG1 THR 87 1HG THR 87 -12.384 -2.090 -1.038 729 1HG2 THR 87 1HG2 THR 87 -12.317 -1.278 1.479 730 2HG2 THR 87 2HG2 THR 87 -10.883 -0.253 1.409 731 3HG2 THR 87 3HG2 THR 87 -10.818 -1.804 2.246 732 H PHE 88 H PHE 88 -7.776 -0.658 1.593 733 HA PHE 88 HA PHE 88 -7.021 -3.356 2.642 734 1HB PHE 88 2HB PHE 88 -4.787 -2.945 2.302 735 2HB PHE 88 1HB PHE 88 -5.412 -1.904 1.031 736 HD1 PHE 88 1HD PHE 88 -4.750 0.337 0.976 737 HD2 PHE 88 2HD PHE 88 -4.533 -1.822 4.683 738 HE1 PHE 88 1HE PHE 88 -3.628 2.275 2.041 739 HE2 PHE 88 2HE PHE 88 -3.424 0.119 5.746 740 HZ PHE 88 HZ PHE 88 -2.961 2.161 4.431 741 H HIS 89 H HIS 89 -6.706 -3.445 4.889 742 HA HIS 89 HA HIS 89 -7.741 -1.083 6.404 743 1HB HIS 89 2HB HIS 89 -7.582 -4.067 6.892 744 2HB HIS 89 1HB HIS 89 -8.065 -2.933 8.151 745 HD1 HIS 89 1HD HIS 89 -10.450 -4.133 8.060 746 HD2 HIS 89 2HD HIS 89 -9.396 -2.032 4.619 747 HE1 HIS 89 1HE HIS 89 -12.581 -3.819 6.732 748 H VAL 90 H VAL 90 -6.663 -0.454 8.378 749 HA VAL 90 HA VAL 90 -3.746 -1.143 8.436 750 HB VAL 90 HB VAL 90 -3.569 1.002 9.688 751 1HG1 VAL 90 1HG1 VAL 90 -4.546 2.468 7.766 752 2HG1 VAL 90 2HG1 VAL 90 -4.952 0.926 7.015 753 3HG1 VAL 90 3HG1 VAL 90 -3.271 1.312 7.382 754 1HG2 VAL 90 1HG2 VAL 90 -6.181 0.608 10.363 755 2HG2 VAL 90 2HG2 VAL 90 -6.361 1.769 9.047 756 3HG2 VAL 90 3HG2 VAL 90 -5.377 2.174 10.451 757 H ASP 91 H ASP 91 -2.775 -1.371 10.648 758 HA ASP 91 HA ASP 91 -4.418 -3.089 12.351 759 1HB ASP 91 2HB ASP 91 -1.827 -3.036 11.783 760 2HB ASP 91 1HB ASP 91 -1.766 -1.950 13.172 761 H SER 92 H SER 92 -3.344 0.290 12.441 762 HA SER 92 HA SER 92 -5.089 0.707 14.843 763 1HB SER 92 2HB SER 92 -2.334 1.914 14.445 764 2HB SER 92 1HB SER 92 -3.335 2.012 15.888 765 HG SER 92 HG SER 92 -3.144 -0.302 16.009 766 HA PRO 93 HA PRO 93 -6.528 4.247 12.640 767 1HB PRO 93 2HB PRO 93 -6.867 6.078 14.662 768 2HB PRO 93 1HB PRO 93 -7.968 4.710 14.396 769 1HG PRO 93 2HG PRO 93 -5.725 4.979 16.347 770 2HG PRO 93 1HG PRO 93 -7.340 4.287 16.575 771 1HD PRO 93 2HD PRO 93 -5.160 2.744 16.202 772 2HD PRO 93 1HD PRO 93 -6.766 2.275 15.597 773 H ASP 94 H ASP 94 -3.984 4.874 15.058 774 HA ASP 94 HA ASP 94 -2.948 7.302 13.920 775 1HB ASP 94 2HB ASP 94 -1.558 5.096 15.491 776 2HB ASP 94 1HB ASP 94 -1.001 6.762 15.338 777 H GLU 95 H GLU 95 -2.360 3.857 13.290 778 HA GLU 95 HA GLU 95 -0.068 4.110 11.576 779 1HB GLU 95 2HB GLU 95 -1.505 2.095 12.711 780 2HB GLU 95 1HB GLU 95 -2.117 2.009 11.059 781 1HG GLU 95 2HG GLU 95 0.423 2.133 10.404 782 2HG GLU 95 1HG GLU 95 0.684 1.592 12.063 783 H ARG 96 H ARG 96 -3.573 3.960 10.890 784 HA ARG 96 HA ARG 96 -3.523 4.146 8.061 785 1HB ARG 96 2HB ARG 96 -5.628 3.738 8.862 786 2HB ARG 96 1HB ARG 96 -5.353 4.664 10.330 787 1HG ARG 96 2HG ARG 96 -5.428 6.517 8.148 788 2HG ARG 96 1HG ARG 96 -6.813 5.438 7.990 789 1HD ARG 96 2HD ARG 96 -7.306 5.849 10.442 790 2HD ARG 96 1HD ARG 96 -6.070 7.114 10.408 791 HE ARG 96 HE ARG 96 -8.702 7.245 9.117 792 1HH1 ARG 96 1HH2 ARG 96 -5.423 8.367 9.007 793 2HH1 ARG 96 2HH2 ARG 96 -5.851 9.946 8.448 794 1HH2 ARG 96 1HH1 ARG 96 -9.257 9.306 8.391 795 2HH2 ARG 96 2HH1 ARG 96 -8.016 10.474 8.087 796 H GLU 97 H GLU 97 -3.548 6.763 10.507 797 HA GLU 97 HA GLU 97 -3.589 8.980 8.694 798 1HB GLU 97 2HB GLU 97 -2.211 8.789 11.391 799 2HB GLU 97 1HB GLU 97 -2.880 10.237 10.644 800 1HG GLU 97 2HG GLU 97 -4.963 8.294 10.750 801 2HG GLU 97 1HG GLU 97 -4.200 8.335 12.334 802 H GLU 98 H GLU 98 -0.865 7.185 10.156 803 HA GLU 98 HA GLU 98 1.279 8.738 9.081 804 1HB GLU 98 2HB GLU 98 1.222 6.888 10.881 805 2HB GLU 98 1HB GLU 98 1.287 5.744 9.541 806 1HG GLU 98 2HG GLU 98 3.554 6.069 10.198 807 2HG GLU 98 1HG GLU 98 3.353 7.033 8.736 808 H TRP 99 H TRP 99 -0.459 5.904 7.754 809 HA TRP 99 HA TRP 99 1.128 5.501 5.412 810 1HB TRP 99 2HB TRP 99 -1.804 5.063 6.054 811 2HB TRP 99 1HB TRP 99 -1.055 4.481 4.569 812 HD1 TRP 99 HD TRP 99 -2.018 3.139 7.674 813 HE1 TRP 99 1HE TRP 99 -0.526 1.192 8.452 814 HE3 TRP 99 3HE TRP 99 2.017 3.853 4.626 815 HZ2 TRP 99 2HZ TRP 99 2.038 0.081 7.861 816 HZ3 TRP 99 3HZ TRP 99 3.974 2.333 4.764 817 HH2 TRP 99 HH TRP 99 3.983 0.455 6.373 818 H MET 100 H MET 100 -1.766 7.529 5.941 819 HA MET 100 HA MET 100 -2.086 8.534 3.298 820 1HB MET 100 2HB MET 100 -3.404 8.743 5.628 821 2HB MET 100 1HB MET 100 -2.558 10.288 5.676 822 1HG MET 100 2HG MET 100 -4.048 9.419 3.202 823 2HG MET 100 1HG MET 100 -4.887 10.212 4.533 824 1HE MET 100 1HE MET 100 -3.419 13.622 4.879 825 2HE MET 100 2HE MET 100 -2.451 12.329 5.579 826 3HE MET 100 3HE MET 100 -4.208 12.227 5.625 827 H ARG 101 H ARG 101 -0.127 9.779 6.023 828 HA ARG 101 HA ARG 101 0.840 12.152 4.757 829 1HB ARG 101 2HB ARG 101 0.933 11.469 7.197 830 2HB ARG 101 1HB ARG 101 2.252 10.377 6.775 831 1HG ARG 101 2HG ARG 101 3.320 12.368 7.515 832 2HG ARG 101 1HG ARG 101 3.414 12.429 5.755 833 1HD ARG 101 2HD ARG 101 1.653 14.033 5.608 834 2HD ARG 101 1HD ARG 101 1.149 13.745 7.285 835 HE ARG 101 HE ARG 101 3.901 14.525 7.274 836 1HH1 ARG 101 1HH2 ARG 101 0.721 15.806 6.685 837 2HH1 ARG 101 2HH2 ARG 101 1.149 17.412 7.164 838 1HH2 ARG 101 1HH1 ARG 101 4.450 16.624 7.892 839 2HH2 ARG 101 2HH1 ARG 101 3.254 17.876 7.843 840 H ALA 102 H ALA 102 2.145 8.818 4.808 841 HA ALA 102 HA ALA 102 4.582 9.387 3.386 842 1HB ALA 102 1HB ALA 102 3.912 6.771 2.803 843 2HB ALA 102 2HB ALA 102 2.978 7.079 4.267 844 3HB ALA 102 3HB ALA 102 4.729 7.297 4.274 845 H ILE 103 H ILE 103 1.365 8.283 2.271 846 HA ILE 103 HA ILE 103 2.012 8.006 -0.507 847 HB ILE 103 HB ILE 103 -0.582 8.713 0.918 848 1HG1 ILE 103 2HG1 ILE 103 0.225 6.003 -0.140 849 2HG1 ILE 103 1HG1 ILE 103 0.741 6.524 1.462 850 1HG2 ILE 103 1HG2 ILE 103 -0.816 9.217 -1.437 851 2HG2 ILE 103 2HG2 ILE 103 -1.624 7.680 -1.136 852 3HG2 ILE 103 3HG2 ILE 103 -0.030 7.703 -1.889 853 1HD1 ILE 103 1HD1 ILE 103 -1.820 7.149 1.730 854 2HD1 ILE 103 2HD1 ILE 103 -1.269 5.495 1.989 855 3HD1 ILE 103 3HD1 ILE 103 -2.020 5.944 0.459 856 H GLN 104 H GLN 104 0.863 10.803 1.396 857 HA GLN 104 HA GLN 104 0.499 12.599 -0.831 858 1HB GLN 104 2HB GLN 104 0.239 12.571 2.008 859 2HB GLN 104 1HB GLN 104 1.253 13.953 1.595 860 1HG GLN 104 2HG GLN 104 -1.261 13.435 0.030 861 2HG GLN 104 1HG GLN 104 -1.355 14.235 1.598 862 1HE2 GLN 104 1HE2 GLN 104 0.068 14.539 -1.670 863 2HE2 GLN 104 2HE2 GLN 104 0.344 16.211 -1.566 864 H MET 105 H MET 105 3.268 12.011 1.370 865 HA MET 105 HA MET 105 4.982 14.078 0.386 866 1HB MET 105 2HB MET 105 5.051 11.851 2.177 867 2HB MET 105 1HB MET 105 6.465 11.732 1.130 868 1HG MET 105 2HG MET 105 7.450 13.541 2.072 869 2HG MET 105 1HG MET 105 5.952 14.470 2.052 870 1HE MET 105 1HE MET 105 5.349 14.911 5.565 871 2HE MET 105 2HE MET 105 4.947 15.263 3.886 872 3HE MET 105 3HE MET 105 6.583 15.554 4.473 873 H VAL 106 H VAL 106 4.447 10.738 -0.729 874 HA VAL 106 HA VAL 106 6.545 10.711 -2.717 875 HB VAL 106 HB VAL 106 3.960 9.173 -2.306 876 1HG1 VAL 106 1HG1 VAL 106 4.205 8.524 -4.470 877 2HG1 VAL 106 2HG1 VAL 106 5.566 7.575 -3.870 878 3HG1 VAL 106 3HG1 VAL 106 5.844 9.168 -4.571 879 1HG2 VAL 106 1HG2 VAL 106 5.567 7.381 -1.618 880 2HG2 VAL 106 2HG2 VAL 106 5.657 8.809 -0.588 881 3HG2 VAL 106 3HG2 VAL 106 6.888 8.532 -1.819 882 H ALA 107 H ALA 107 3.053 11.473 -2.853 883 HA ALA 107 HA ALA 107 2.844 11.925 -5.666 884 1HB ALA 107 1HB ALA 107 0.930 13.491 -4.715 885 2HB ALA 107 2HB ALA 107 1.384 12.754 -3.179 886 3HB ALA 107 3HB ALA 107 0.827 11.743 -4.514 887 H ASN 108 H ASN 108 3.862 14.070 -3.012 888 HA ASN 108 HA ASN 108 3.843 16.563 -4.376 889 1HB ASN 108 2HB ASN 108 5.222 15.311 -2.052 890 2HB ASN 108 1HB ASN 108 5.942 16.794 -2.681 891 1HD2 ASN 108 1HD2 ASN 108 3.188 15.483 -0.947 892 2HD2 ASN 108 2HD2 ASN 108 2.422 16.969 -0.658 893 H SER 109 H SER 109 6.340 14.010 -4.284 894 HA SER 109 HA SER 109 8.122 15.571 -6.060 895 1HB SER 109 2HB SER 109 8.213 13.066 -4.436 896 2HB SER 109 1HB SER 109 9.312 13.176 -5.809 897 HG SER 109 HG SER 109 9.989 14.067 -3.656 898 H LEU 110 H LEU 110 5.894 12.824 -6.227 899 HA LEU 110 HA LEU 110 6.636 11.752 -8.767 900 1HB LEU 110 2HB LEU 110 4.482 11.597 -6.822 901 2HB LEU 110 1HB LEU 110 3.835 11.550 -8.460 902 HG LEU 110 HG LEU 110 5.299 9.687 -9.035 903 1HD1 LEU 110 1HD1 LEU 110 6.625 10.507 -6.531 904 2HD1 LEU 110 2HD1 LEU 110 7.290 9.671 -7.935 905 3HD1 LEU 110 3HD1 LEU 110 6.422 8.763 -6.698 906 1HD2 LEU 110 1HD2 LEU 110 4.419 7.993 -7.413 907 2HD2 LEU 110 2HD2 LEU 110 3.175 9.099 -7.997 908 3HD2 LEU 110 3HD2 LEU 110 3.863 9.316 -6.388 909 H LYS 111 H LYS 111 4.507 14.466 -7.890 910 HA LYS 111 HA LYS 111 3.578 16.198 -9.177 911 1HB LYS 111 2HB LYS 111 5.719 15.288 -11.135 912 2HB LYS 111 1HB LYS 111 4.927 16.861 -11.125 913 1HG LYS 111 2HG LYS 111 6.150 16.068 -8.549 914 2HG LYS 111 1HG LYS 111 7.292 16.340 -9.863 915 1HD LYS 111 2HD LYS 111 6.420 18.568 -10.241 916 2HD LYS 111 1HD LYS 111 5.115 18.299 -9.085 917 1HE LYS 111 2HE LYS 111 7.008 17.849 -7.359 918 2HE LYS 111 1HE LYS 111 8.066 18.650 -8.535 919 1HZ LYS 111 1HZ LYS 111 5.497 19.783 -7.557 920 2HZ LYS 111 2HZ LYS 111 6.636 20.553 -8.557 921 3HZ LYS 111 3HZ LYS 111 7.016 20.210 -6.937 Start of MODEL 14 1 1H MET 1 1H MET 1 16.730 2.784 -14.977 2 2H MET 1 2H MET 1 18.352 2.531 -14.539 3 3H MET 1 3H MET 1 17.873 4.018 -15.204 4 HA MET 1 HA MET 1 18.144 4.308 -12.842 5 1HB MET 1 2HB MET 1 16.262 5.350 -14.210 6 2HB MET 1 1HB MET 1 15.206 4.092 -13.568 7 1HG MET 1 2HG MET 1 16.757 5.387 -11.460 8 2HG MET 1 1HG MET 1 15.767 6.541 -12.353 9 1HE MET 1 1HE MET 1 13.588 7.129 -11.569 10 2HE MET 1 2HE MET 1 12.277 5.956 -11.472 11 3HE MET 1 3HE MET 1 13.231 6.080 -12.948 12 H ASN 2 H ASN 2 18.378 3.140 -10.981 13 HA ASN 2 HA ASN 2 16.344 1.183 -10.136 14 1HB ASN 2 2HB ASN 2 18.201 -0.610 -9.999 15 2HB ASN 2 1HB ASN 2 17.567 -0.241 -11.602 16 1HD2 ASN 2 1HD2 ASN 2 19.242 -0.094 -13.100 17 2HD2 ASN 2 2HD2 ASN 2 20.780 0.552 -12.786 18 H GLU 3 H GLU 3 17.170 3.571 -8.886 19 HA GLU 3 HA GLU 3 18.691 2.532 -6.515 20 1HB GLU 3 2HB GLU 3 19.727 4.735 -6.362 21 2HB GLU 3 1HB GLU 3 19.942 4.127 -8.002 22 1HG GLU 3 2HG GLU 3 17.635 5.418 -8.394 23 2HG GLU 3 1HG GLU 3 18.208 6.358 -7.018 24 H VAL 4 H VAL 4 15.819 2.448 -6.785 25 HA VAL 4 HA VAL 4 14.726 4.736 -5.272 26 HB VAL 4 HB VAL 4 13.700 2.233 -6.596 27 1HG1 VAL 4 1HG1 VAL 4 12.491 2.280 -4.474 28 2HG1 VAL 4 2HG1 VAL 4 11.415 2.807 -5.767 29 3HG1 VAL 4 3HG1 VAL 4 12.137 3.995 -4.684 30 1HG2 VAL 4 1HG2 VAL 4 12.499 3.763 -7.956 31 2HG2 VAL 4 2HG2 VAL 4 14.074 4.521 -7.726 32 3HG2 VAL 4 3HG2 VAL 4 12.685 5.072 -6.790 33 H SER 5 H SER 5 14.580 4.764 -3.067 34 HA SER 5 HA SER 5 15.184 2.253 -1.557 35 1HB SER 5 2HB SER 5 15.331 5.220 -0.994 36 2HB SER 5 1HB SER 5 15.443 4.038 0.307 37 HG SER 5 HG SER 5 17.506 4.435 -0.416 38 H VAL 6 H VAL 6 13.934 2.265 0.687 39 HA VAL 6 HA VAL 6 11.061 2.336 0.042 40 HB VAL 6 HB VAL 6 12.731 1.452 2.409 41 1HG1 VAL 6 1HG1 VAL 6 9.726 1.587 2.097 42 2HG1 VAL 6 2HG1 VAL 6 10.709 2.179 3.436 43 3HG1 VAL 6 3HG1 VAL 6 10.498 0.444 3.197 44 1HG2 VAL 6 1HG2 VAL 6 12.840 -0.077 0.563 45 2HG2 VAL 6 2HG2 VAL 6 11.107 0.062 0.263 46 3HG2 VAL 6 3HG2 VAL 6 11.690 -0.770 1.706 47 H ILE 7 H ILE 7 9.620 3.858 0.762 48 HA ILE 7 HA ILE 7 10.670 6.276 2.103 49 HB ILE 7 HB ILE 7 7.992 5.471 0.912 50 1HG1 ILE 7 2HG1 ILE 7 9.605 5.743 -0.829 51 2HG1 ILE 7 1HG1 ILE 7 8.693 7.248 -0.790 52 1HG2 ILE 7 1HG2 ILE 7 8.911 8.066 2.161 53 2HG2 ILE 7 2HG2 ILE 7 7.486 7.109 2.567 54 3HG2 ILE 7 3HG2 ILE 7 7.554 7.984 1.038 55 1HD1 ILE 7 1HD1 ILE 7 10.857 8.082 -0.837 56 2HD1 ILE 7 2HD1 ILE 7 11.515 6.715 0.061 57 3HD1 ILE 7 3HD1 ILE 7 10.609 7.971 0.906 58 H LYS 8 H LYS 8 8.056 3.878 2.634 59 HA LYS 8 HA LYS 8 8.433 4.136 5.566 60 1HB LYS 8 2HB LYS 8 6.570 5.687 4.204 61 2HB LYS 8 1HB LYS 8 5.611 4.326 4.787 62 1HG LYS 8 2HG LYS 8 7.290 5.005 6.936 63 2HG LYS 8 1HG LYS 8 6.734 6.546 6.286 64 1HD LYS 8 2HD LYS 8 4.552 4.638 6.379 65 2HD LYS 8 1HD LYS 8 5.297 4.807 7.969 66 1HE LYS 8 2HE LYS 8 4.492 6.922 8.233 67 2HE LYS 8 1HE LYS 8 4.933 7.380 6.577 68 1HZ LYS 8 1HZ LYS 8 2.549 5.851 7.466 69 2HZ LYS 8 2HZ LYS 8 3.051 5.906 5.840 70 3HZ LYS 8 3HZ LYS 8 2.586 7.332 6.637 71 H GLU 9 H GLU 9 7.967 2.195 6.585 72 HA GLU 9 HA GLU 9 6.534 0.085 4.997 73 1HB GLU 9 2HB GLU 9 8.240 -1.495 5.980 74 2HB GLU 9 1HB GLU 9 8.924 -0.305 4.874 75 1HG GLU 9 2HG GLU 9 10.183 0.630 6.504 76 2HG GLU 9 1HG GLU 9 8.833 0.665 7.636 77 H GLY 10 H GLY 10 5.103 -1.178 6.195 78 1HA GLY 10 2HA GLY 10 5.187 -1.346 9.094 79 2HA GLY 10 1HA GLY 10 3.911 -0.264 8.540 80 H TRP 11 H TRP 11 3.138 -2.516 9.902 81 HA TRP 11 HA TRP 11 2.498 -4.668 7.977 82 1HB TRP 11 2HB TRP 11 2.044 -4.138 10.918 83 2HB TRP 11 1HB TRP 11 1.285 -5.510 10.111 84 HD1 TRP 11 HD TRP 11 4.673 -4.155 11.195 85 HE1 TRP 11 1HE TRP 11 6.415 -6.045 11.050 86 HE3 TRP 11 3HE TRP 11 1.886 -7.756 8.879 87 HZ2 TRP 11 2HZ TRP 11 6.605 -8.728 10.087 88 HZ3 TRP 11 3HZ TRP 11 2.875 -9.968 8.357 89 HH2 TRP 11 HH TRP 11 5.233 -10.457 8.957 90 H LEU 12 H LEU 12 0.496 -4.940 7.011 91 HA LEU 12 HA LEU 12 -1.717 -3.073 7.811 92 1HB LEU 12 2HB LEU 12 -0.670 -3.798 5.053 93 2HB LEU 12 1HB LEU 12 -2.179 -2.929 5.324 94 HG LEU 12 HG LEU 12 0.561 -2.004 6.246 95 1HD1 LEU 12 1HD1 LEU 12 -1.206 -0.750 4.140 96 2HD1 LEU 12 2HD1 LEU 12 0.018 -1.952 3.734 97 3HD1 LEU 12 3HD1 LEU 12 0.494 -0.422 4.472 98 1HD2 LEU 12 1HD2 LEU 12 -0.651 -0.736 7.680 99 2HD2 LEU 12 2HD2 LEU 12 -2.171 -1.211 6.923 100 3HD2 LEU 12 3HD2 LEU 12 -1.238 0.130 6.260 101 H HIS 13 H HIS 13 -3.851 -3.940 7.470 102 HA HIS 13 HA HIS 13 -3.934 -6.919 7.369 103 1HB HIS 13 2HB HIS 13 -5.411 -4.720 8.644 104 2HB HIS 13 1HB HIS 13 -6.468 -5.956 7.960 105 HD1 HIS 13 1HD HIS 13 -6.673 -8.124 9.232 106 HD2 HIS 13 2HD HIS 13 -3.437 -5.837 10.531 107 HE1 HIS 13 1HE HIS 13 -5.737 -9.297 11.273 108 H LYS 14 H LYS 14 -4.539 -7.888 5.489 109 HA LYS 14 HA LYS 14 -6.299 -6.367 3.588 110 1HB LYS 14 2HB LYS 14 -3.899 -6.601 2.905 111 2HB LYS 14 1HB LYS 14 -4.088 -8.353 2.969 112 1HG LYS 14 2HG LYS 14 -5.465 -8.413 1.098 113 2HG LYS 14 1HG LYS 14 -6.034 -6.761 1.336 114 1HD LYS 14 2HD LYS 14 -4.294 -5.856 0.174 115 2HD LYS 14 1HD LYS 14 -3.130 -7.009 0.828 116 1HE LYS 14 2HE LYS 14 -3.235 -7.656 -1.435 117 2HE LYS 14 1HE LYS 14 -4.436 -8.737 -0.701 118 1HZ LYS 14 1HZ LYS 14 -6.081 -6.864 -1.113 119 2HZ LYS 14 2HZ LYS 14 -5.551 -7.719 -2.483 120 3HZ LYS 14 3HZ LYS 14 -4.907 -6.185 -2.135 121 H ARG 15 H ARG 15 -8.099 -7.491 2.868 122 HA ARG 15 HA ARG 15 -8.982 -9.880 4.187 123 1HB ARG 15 2HB ARG 15 -10.293 -7.997 3.026 124 2HB ARG 15 1HB ARG 15 -9.925 -8.823 1.512 125 1HG ARG 15 2HG ARG 15 -10.828 -10.879 3.147 126 2HG ARG 15 1HG ARG 15 -11.869 -9.527 3.590 127 1HD ARG 15 2HD ARG 15 -11.407 -9.868 0.674 128 2HD ARG 15 1HD ARG 15 -12.381 -11.127 1.453 129 HE ARG 15 HE ARG 15 -13.095 -8.273 1.239 130 1HH1 ARG 15 1HH2 ARG 15 -13.642 -11.351 2.773 131 2HH1 ARG 15 2HH2 ARG 15 -15.239 -10.941 3.295 132 1HH2 ARG 15 1HH1 ARG 15 -15.179 -7.749 1.933 133 2HH2 ARG 15 2HH1 ARG 15 -16.105 -8.909 2.825 134 H GLY 16 H GLY 16 -9.037 -12.051 3.441 135 1HA GLY 16 2HA GLY 16 -6.945 -12.788 1.522 136 2HA GLY 16 1HA GLY 16 -7.956 -13.910 2.435 137 H GLU 17 H GLU 17 -9.510 -14.965 1.285 138 HA GLU 17 HA GLU 17 -10.654 -13.659 -1.146 139 1HB GLU 17 2HB GLU 17 -8.729 -15.054 -1.813 140 2HB GLU 17 1HB GLU 17 -9.426 -16.435 -0.969 141 1HG GLU 17 2HG GLU 17 -10.135 -16.831 -3.155 142 2HG GLU 17 1HG GLU 17 -11.515 -15.950 -2.501 143 H TYR 18 H TYR 18 -10.904 -16.992 0.132 144 HA TYR 18 HA TYR 18 -13.859 -16.631 0.315 145 1HB TYR 18 2HB TYR 18 -13.899 -19.075 0.214 146 2HB TYR 18 1HB TYR 18 -12.864 -18.455 -1.069 147 HD1 TYR 18 1HD TYR 18 -10.521 -18.950 -1.130 148 HD2 TYR 18 2HD TYR 18 -12.866 -20.012 2.310 149 HE1 TYR 18 1HE TYR 18 -8.636 -20.303 -0.262 150 HE2 TYR 18 2HE TYR 18 -10.979 -21.364 3.178 151 HH TYR 18 HH TYR 18 -8.760 -22.581 1.704 152 H ILE 19 H ILE 19 -11.149 -16.623 2.383 153 HA ILE 19 HA ILE 19 -12.289 -17.988 4.678 154 HB ILE 19 HB ILE 19 -9.852 -17.588 4.196 155 1HG1 ILE 19 2HG1 ILE 19 -10.746 -16.353 6.819 156 2HG1 ILE 19 1HG1 ILE 19 -10.781 -18.088 6.501 157 1HG2 ILE 19 1HG2 ILE 19 -10.478 -15.070 3.589 158 2HG2 ILE 19 2HG2 ILE 19 -8.895 -15.476 4.248 159 3HG2 ILE 19 3HG2 ILE 19 -10.144 -14.819 5.302 160 1HD1 ILE 19 1HD1 ILE 19 -8.580 -18.264 6.931 161 2HD1 ILE 19 2HD1 ILE 19 -8.586 -16.570 7.421 162 3HD1 ILE 19 3HD1 ILE 19 -8.208 -17.004 5.755 163 H LYS 20 H LYS 20 -12.755 -14.826 3.302 164 HA LYS 20 HA LYS 20 -14.035 -12.981 4.010 165 1HB LYS 20 2HB LYS 20 -15.374 -15.286 4.603 166 2HB LYS 20 1HB LYS 20 -15.276 -14.547 6.202 167 1HG LYS 20 2HG LYS 20 -16.573 -12.729 5.597 168 2HG LYS 20 1HG LYS 20 -16.089 -12.813 3.904 169 1HD LYS 20 2HD LYS 20 -18.292 -13.593 3.814 170 2HD LYS 20 1HD LYS 20 -17.374 -15.096 3.917 171 1HE LYS 20 2HE LYS 20 -17.709 -15.083 6.404 172 2HE LYS 20 1HE LYS 20 -18.752 -13.659 6.215 173 1HZ LYS 20 1HZ LYS 20 -20.045 -15.720 6.158 174 2HZ LYS 20 2HZ LYS 20 -19.133 -16.269 4.836 175 3HZ LYS 20 3HZ LYS 20 -20.133 -14.904 4.674 176 H THR 21 H THR 21 -11.418 -13.209 5.154 177 HA THR 21 HA THR 21 -11.849 -11.743 7.709 178 HB THR 21 HB THR 21 -9.975 -14.113 7.371 179 HG1 THR 21 1HG THR 21 -12.518 -13.859 8.597 180 1HG2 THR 21 1HG2 THR 21 -10.657 -12.283 9.669 181 2HG2 THR 21 2HG2 THR 21 -9.066 -12.698 9.032 182 3HG2 THR 21 3HG2 THR 21 -9.992 -13.893 9.939 183 H TRP 22 H TRP 22 -9.899 -10.495 8.319 184 HA TRP 22 HA TRP 22 -8.261 -9.778 5.929 185 1HB TRP 22 2HB TRP 22 -8.935 -8.404 8.549 186 2HB TRP 22 1HB TRP 22 -7.805 -7.732 7.372 187 HD1 TRP 22 HD TRP 22 -11.485 -8.867 7.608 188 HE1 TRP 22 1HE TRP 22 -12.862 -7.524 5.895 189 HE3 TRP 22 3HE TRP 22 -7.744 -6.243 5.330 190 HZ2 TRP 22 2HZ TRP 22 -12.437 -5.591 3.832 191 HZ3 TRP 22 3HZ TRP 22 -8.257 -4.658 3.496 192 HH2 TRP 22 HH TRP 22 -10.597 -4.329 2.744 193 H ARG 23 H ARG 23 -6.142 -10.388 5.870 194 HA ARG 23 HA ARG 23 -4.887 -11.423 8.383 195 1HB ARG 23 2HB ARG 23 -4.599 -11.964 5.432 196 2HB ARG 23 1HB ARG 23 -3.302 -12.408 6.540 197 1HG ARG 23 2HG ARG 23 -6.192 -13.309 6.739 198 2HG ARG 23 1HG ARG 23 -4.834 -14.304 6.217 199 1HD ARG 23 2HD ARG 23 -3.761 -13.883 8.479 200 2HD ARG 23 1HD ARG 23 -5.280 -13.119 8.977 201 HE ARG 23 HE ARG 23 -6.378 -15.237 8.835 202 1HH1 ARG 23 1HH2 ARG 23 -3.081 -15.373 7.723 203 2HH1 ARG 23 2HH2 ARG 23 -3.031 -17.102 7.724 204 1HH2 ARG 23 1HH1 ARG 23 -6.301 -17.484 8.820 205 2HH2 ARG 23 2HH1 ARG 23 -4.846 -18.293 8.342 206 HA PRO 24 HA PRO 24 -2.275 -7.838 8.262 207 1HB PRO 24 2HB PRO 24 -0.456 -8.660 10.134 208 2HB PRO 24 1HB PRO 24 -2.077 -8.070 10.550 209 1HG PRO 24 2HG PRO 24 -1.065 -10.861 10.381 210 2HG PRO 24 1HG PRO 24 -2.196 -10.137 11.534 211 1HD PRO 24 2HD PRO 24 -2.971 -11.697 9.432 212 2HD PRO 24 1HD PRO 24 -3.995 -10.439 10.157 213 H ARG 25 H ARG 25 -0.549 -7.318 6.965 214 HA ARG 25 HA ARG 25 1.509 -9.396 6.344 215 1HB ARG 25 2HB ARG 25 -0.106 -7.732 4.382 216 2HB ARG 25 1HB ARG 25 1.231 -8.791 3.939 217 1HG ARG 25 2HG ARG 25 -0.338 -10.474 5.443 218 2HG ARG 25 1HG ARG 25 -1.548 -9.471 4.645 219 1HD ARG 25 2HD ARG 25 0.622 -10.347 2.849 220 2HD ARG 25 1HD ARG 25 -0.360 -11.674 3.493 221 HE ARG 25 HE ARG 25 -1.301 -9.567 1.695 222 1HH1 ARG 25 1HH2 ARG 25 -2.186 -11.837 4.178 223 2HH1 ARG 25 2HH2 ARG 25 -3.821 -11.978 3.633 224 1HH2 ARG 25 1HH1 ARG 25 -3.444 -9.764 0.995 225 2HH2 ARG 25 2HH1 ARG 25 -4.532 -10.812 1.843 226 H TYR 26 H TYR 26 3.571 -8.497 5.946 227 HA TYR 26 HA TYR 26 4.048 -5.797 6.906 228 1HB TYR 26 2HB TYR 26 5.713 -7.445 7.327 229 2HB TYR 26 1HB TYR 26 5.687 -8.017 5.661 230 HD1 TYR 26 1HD TYR 26 7.469 -7.402 4.320 231 HD2 TYR 26 2HD TYR 26 6.272 -4.786 7.511 232 HE1 TYR 26 1HE TYR 26 9.316 -5.857 3.744 233 HE2 TYR 26 2HE TYR 26 8.122 -3.238 6.932 234 HH TYR 26 HH TYR 26 9.486 -2.832 4.518 235 H PHE 27 H PHE 27 3.275 -4.159 5.600 236 HA PHE 27 HA PHE 27 3.786 -4.306 2.652 237 1HB PHE 27 2HB PHE 27 1.679 -3.295 4.440 238 2HB PHE 27 1HB PHE 27 2.121 -2.155 3.168 239 HD1 PHE 27 1HD PHE 27 0.675 -5.452 3.912 240 HD2 PHE 27 2HD PHE 27 1.847 -2.734 0.797 241 HE1 PHE 27 1HE PHE 27 -0.621 -6.777 2.264 242 HE2 PHE 27 2HE PHE 27 0.552 -4.060 -0.850 243 HZ PHE 27 HZ PHE 27 -0.684 -6.082 -0.116 244 H LEU 28 H LEU 28 4.979 -2.641 1.649 245 HA LEU 28 HA LEU 28 5.924 -0.383 3.358 246 1HB LEU 28 2HB LEU 28 8.258 -0.877 2.636 247 2HB LEU 28 1HB LEU 28 7.557 -2.191 3.578 248 HG LEU 28 HG LEU 28 7.004 -2.477 0.730 249 1HD1 LEU 28 1HD1 LEU 28 9.877 -2.316 1.671 250 2HD1 LEU 28 2HD1 LEU 28 9.125 -1.404 0.363 251 3HD1 LEU 28 3HD1 LEU 28 9.390 -3.139 0.188 252 1HD2 LEU 28 1HD2 LEU 28 7.290 -4.702 1.232 253 2HD2 LEU 28 2HD2 LEU 28 7.078 -4.108 2.879 254 3HD2 LEU 28 3HD2 LEU 28 8.700 -4.396 2.248 255 H LEU 29 H LEU 29 6.181 1.512 2.230 256 HA LEU 29 HA LEU 29 5.497 1.498 -0.675 257 1HB LEU 29 2HB LEU 29 4.211 2.863 0.975 258 2HB LEU 29 1HB LEU 29 5.693 3.729 1.381 259 HG LEU 29 HG LEU 29 5.795 4.148 -1.229 260 1HD1 LEU 29 1HD1 LEU 29 3.812 2.696 -1.675 261 2HD1 LEU 29 2HD1 LEU 29 3.580 4.352 -2.233 262 3HD1 LEU 29 3HD1 LEU 29 2.821 3.812 -0.736 263 1HD2 LEU 29 1HD2 LEU 29 3.975 6.083 -0.645 264 2HD2 LEU 29 2HD2 LEU 29 5.647 6.125 -0.087 265 3HD2 LEU 29 3HD2 LEU 29 4.376 5.530 0.980 266 H LYS 30 H LYS 30 7.078 1.984 -2.185 267 HA LYS 30 HA LYS 30 9.797 2.676 -1.178 268 1HB LYS 30 2HB LYS 30 8.751 1.703 -3.855 269 2HB LYS 30 1HB LYS 30 10.456 1.926 -3.460 270 1HG LYS 30 2HG LYS 30 9.787 0.382 -1.380 271 2HG LYS 30 1HG LYS 30 8.549 -0.167 -2.510 272 1HD LYS 30 2HD LYS 30 11.443 0.017 -3.343 273 2HD LYS 30 1HD LYS 30 10.822 -1.412 -2.517 274 1HE LYS 30 2HE LYS 30 9.225 -1.842 -4.271 275 2HE LYS 30 1HE LYS 30 9.553 -0.272 -5.031 276 1HZ LYS 30 1HZ LYS 30 11.651 -2.325 -4.573 277 2HZ LYS 30 2HZ LYS 30 11.766 -0.914 -5.516 278 3HZ LYS 30 3HZ LYS 30 10.783 -2.203 -6.024 279 H SER 31 H SER 31 11.087 4.159 -2.695 280 HA SER 31 HA SER 31 9.758 6.734 -2.908 281 1HB SER 31 2HB SER 31 12.278 5.908 -2.511 282 2HB SER 31 1HB SER 31 12.361 6.151 -4.254 283 HG SER 31 HG SER 31 12.801 8.005 -2.738 284 H ASP 32 H ASP 32 9.779 4.062 -5.015 285 HA ASP 32 HA ASP 32 9.771 5.586 -7.536 286 1HB ASP 32 2HB ASP 32 10.727 3.365 -7.469 287 2HB ASP 32 1HB ASP 32 9.273 2.703 -6.727 288 H GLY 33 H GLY 33 7.486 4.837 -5.085 289 1HA GLY 33 2HA GLY 33 5.232 5.668 -5.065 290 2HA GLY 33 1HA GLY 33 5.270 5.745 -6.830 291 H SER 34 H SER 34 6.267 3.004 -4.814 292 HA SER 34 HA SER 34 3.937 1.438 -5.861 293 1HB SER 34 2HB SER 34 5.909 -0.406 -5.870 294 2HB SER 34 1HB SER 34 5.569 0.615 -7.262 295 HG SER 34 HG SER 34 7.376 1.668 -6.928 296 H PHE 35 H PHE 35 3.249 -0.266 -4.481 297 HA PHE 35 HA PHE 35 4.278 -0.111 -1.665 298 1HB PHE 35 2HB PHE 35 1.716 0.164 -2.864 299 2HB PHE 35 1HB PHE 35 1.692 -1.365 -1.988 300 HD1 PHE 35 1HD PHE 35 3.270 -1.021 0.350 301 HD2 PHE 35 2HD PHE 35 0.764 1.867 -1.607 302 HE1 PHE 35 1HE PHE 35 3.012 0.206 2.487 303 HE2 PHE 35 2HE PHE 35 0.506 3.093 0.528 304 HZ PHE 35 HZ PHE 35 1.630 2.264 2.580 305 H ILE 36 H ILE 36 5.376 -1.937 -1.024 306 HA ILE 36 HA ILE 36 4.918 -4.485 -2.532 307 HB ILE 36 HB ILE 36 7.131 -3.732 -0.589 308 1HG1 ILE 36 2HG1 ILE 36 7.218 -2.117 -2.390 309 2HG1 ILE 36 1HG1 ILE 36 8.480 -3.311 -2.686 310 1HG2 ILE 36 1HG2 ILE 36 7.171 -5.753 -2.836 311 2HG2 ILE 36 2HG2 ILE 36 6.692 -6.175 -1.192 312 3HG2 ILE 36 3HG2 ILE 36 8.321 -5.582 -1.511 313 1HD1 ILE 36 1HD1 ILE 36 5.891 -2.887 -4.138 314 2HD1 ILE 36 2HD1 ILE 36 6.564 -4.516 -4.068 315 3HD1 ILE 36 3HD1 ILE 36 7.498 -3.206 -4.789 316 H GLY 37 H GLY 37 3.715 -6.026 -1.519 317 1HA GLY 37 2HA GLY 37 3.371 -5.835 1.446 318 2HA GLY 37 1HA GLY 37 2.158 -6.488 0.348 319 H TYR 38 H TYR 38 4.248 -7.437 2.618 320 HA TYR 38 HA TYR 38 4.949 -10.021 1.254 321 1HB TYR 38 2HB TYR 38 6.320 -8.150 3.053 322 2HB TYR 38 1HB TYR 38 6.420 -9.821 3.604 323 HD1 TYR 38 1HD TYR 38 7.638 -11.489 2.359 324 HD2 TYR 38 2HD TYR 38 7.197 -7.502 0.825 325 HE1 TYR 38 1HE TYR 38 9.365 -11.958 0.644 326 HE2 TYR 38 2HE TYR 38 8.924 -7.972 -0.891 327 HH TYR 38 HH TYR 38 11.002 -9.765 -0.969 328 H LYS 39 H LYS 39 4.725 -11.970 2.598 329 HA LYS 39 HA LYS 39 2.304 -11.941 4.256 330 1HB LYS 39 2HB LYS 39 2.853 -13.753 2.666 331 2HB LYS 39 1HB LYS 39 4.326 -14.105 3.568 332 1HG LYS 39 2HG LYS 39 2.175 -14.100 5.436 333 2HG LYS 39 1HG LYS 39 1.665 -15.067 4.054 334 1HD LYS 39 2HD LYS 39 4.444 -15.508 5.025 335 2HD LYS 39 1HD LYS 39 3.145 -16.083 6.070 336 1HE LYS 39 2HE LYS 39 2.676 -16.749 3.248 337 2HE LYS 39 1HE LYS 39 4.163 -17.473 3.890 338 1HZ LYS 39 1HZ LYS 39 1.498 -17.565 5.210 339 2HZ LYS 39 2HZ LYS 39 2.928 -18.261 5.807 340 3HZ LYS 39 3HZ LYS 39 2.222 -18.856 4.381 341 H GLU 40 H GLU 40 5.783 -12.556 4.780 342 HA GLU 40 HA GLU 40 5.333 -12.207 7.729 343 1HB GLU 40 2HB GLU 40 6.153 -14.460 6.334 344 2HB GLU 40 1HB GLU 40 7.681 -13.752 6.857 345 1HG GLU 40 2HG GLU 40 6.138 -13.503 9.122 346 2HG GLU 40 1HG GLU 40 5.564 -15.030 8.454 347 H ARG 41 H ARG 41 8.229 -12.292 8.203 348 HA ARG 41 HA ARG 41 9.001 -9.639 7.025 349 1HB ARG 41 2HB ARG 41 8.796 -10.706 9.728 350 2HB ARG 41 1HB ARG 41 10.416 -10.084 9.412 351 1HG ARG 41 2HG ARG 41 7.851 -8.560 8.878 352 2HG ARG 41 1HG ARG 41 8.881 -8.325 10.289 353 1HD ARG 41 2HD ARG 41 9.824 -7.985 7.416 354 2HD ARG 41 1HD ARG 41 9.342 -6.649 8.478 355 HE ARG 41 HE ARG 41 11.805 -8.221 8.707 356 1HH1 ARG 41 1HH2 ARG 41 9.457 -6.241 10.352 357 2HH1 ARG 41 2HH2 ARG 41 10.556 -5.772 11.603 358 1HH2 ARG 41 1HH1 ARG 41 13.223 -7.604 10.338 359 2HH2 ARG 41 2HH1 ARG 41 12.684 -6.541 11.596 360 HA PRO 42 HA PRO 42 12.197 -12.917 5.968 361 1HB PRO 42 2HB PRO 42 12.090 -12.649 3.248 362 2HB PRO 42 1HB PRO 42 11.057 -13.777 4.146 363 1HG PRO 42 2HG PRO 42 10.413 -11.100 3.026 364 2HG PRO 42 1HG PRO 42 9.416 -12.559 3.110 365 1HD PRO 42 2HD PRO 42 9.155 -10.434 4.812 366 2HD PRO 42 1HD PRO 42 8.695 -12.100 5.224 367 H GLU 43 H GLU 43 14.370 -12.366 5.358 368 HA GLU 43 HA GLU 43 14.825 -9.529 4.499 369 1HB GLU 43 2HB GLU 43 15.481 -10.917 6.993 370 2HB GLU 43 1HB GLU 43 16.901 -10.183 6.246 371 1HG GLU 43 2HG GLU 43 16.187 -8.080 6.692 372 2HG GLU 43 1HG GLU 43 14.536 -8.442 6.187 373 H ALA 44 H ALA 44 16.336 -12.758 4.925 374 HA ALA 44 HA ALA 44 17.849 -13.926 3.542 375 1HB ALA 44 1HB ALA 44 17.844 -11.860 1.425 376 2HB ALA 44 2HB ALA 44 16.246 -12.459 1.867 377 3HB ALA 44 3HB ALA 44 17.486 -13.583 1.315 378 HA PRO 45 HA PRO 45 21.755 -12.009 4.140 379 1HB PRO 45 2HB PRO 45 23.283 -13.033 2.115 380 2HB PRO 45 1HB PRO 45 22.754 -13.992 3.510 381 1HG PRO 45 2HG PRO 45 21.687 -13.932 0.741 382 2HG PRO 45 1HG PRO 45 21.839 -15.290 1.867 383 1HD PRO 45 2HD PRO 45 19.490 -13.954 1.349 384 2HD PRO 45 1HD PRO 45 19.818 -14.875 2.832 385 H ASP 46 H ASP 46 20.854 -11.927 0.657 386 HA ASP 46 HA ASP 46 22.006 -9.157 0.518 387 1HB ASP 46 2HB ASP 46 21.692 -11.363 -1.547 388 2HB ASP 46 1HB ASP 46 22.236 -9.731 -1.937 389 H GLN 47 H GLN 47 19.731 -10.961 -1.581 390 HA GLN 47 HA GLN 47 17.416 -9.365 -0.814 391 1HB GLN 47 2HB GLN 47 19.324 -8.343 -2.721 392 2HB GLN 47 1HB GLN 47 17.790 -8.636 -3.541 393 1HG GLN 47 2HG GLN 47 17.458 -7.398 -0.901 394 2HG GLN 47 1HG GLN 47 18.389 -6.401 -2.018 395 1HE2 GLN 47 1HE2 GLN 47 15.334 -8.335 -1.943 396 2HE2 GLN 47 2HE2 GLN 47 14.483 -7.291 -2.976 397 H THR 48 H THR 48 17.793 -12.145 -1.060 398 HA THR 48 HA THR 48 16.485 -12.918 -3.627 399 HB THR 48 HB THR 48 18.581 -14.019 -2.766 400 HG1 THR 48 1HG THR 48 17.613 -15.374 -4.072 401 1HG2 THR 48 1HG2 THR 48 17.115 -14.076 -0.356 402 2HG2 THR 48 2HG2 THR 48 18.718 -14.751 -0.647 403 3HG2 THR 48 3HG2 THR 48 17.286 -15.756 -0.863 404 H LEU 49 H LEU 49 14.731 -11.542 -2.166 405 HA LEU 49 HA LEU 49 13.084 -13.504 -0.615 406 1HB LEU 49 2HB LEU 49 13.117 -10.472 -0.767 407 2HB LEU 49 1HB LEU 49 11.995 -11.402 0.226 408 HG LEU 49 HG LEU 49 15.019 -11.470 0.455 409 1HD1 LEU 49 1HD1 LEU 49 13.496 -10.597 2.777 410 2HD1 LEU 49 2HD1 LEU 49 13.194 -9.562 1.384 411 3HD1 LEU 49 3HD1 LEU 49 14.841 -9.802 1.963 412 1HD2 LEU 49 1HD2 LEU 49 12.811 -13.101 1.596 413 2HD2 LEU 49 2HD2 LEU 49 14.053 -12.585 2.736 414 3HD2 LEU 49 3HD2 LEU 49 14.498 -13.531 1.317 415 HA PRO 50 HA PRO 50 10.320 -13.329 -4.117 416 1HB PRO 50 2HB PRO 50 8.519 -15.158 -3.178 417 2HB PRO 50 1HB PRO 50 10.091 -15.616 -3.862 418 1HG PRO 50 2HG PRO 50 9.205 -15.559 -1.049 419 2HG PRO 50 1HG PRO 50 10.423 -16.572 -1.833 420 1HD PRO 50 2HD PRO 50 10.904 -14.318 -0.231 421 2HD PRO 50 1HD PRO 50 12.085 -15.160 -1.255 422 HA PRO 51 HA PRO 51 7.557 -10.351 -2.172 423 1HB PRO 51 2HB PRO 51 6.430 -9.437 -4.497 424 2HB PRO 51 1HB PRO 51 8.026 -8.917 -3.921 425 1HG PRO 51 2HG PRO 51 7.331 -10.937 -5.996 426 2HG PRO 51 1HG PRO 51 8.629 -9.732 -5.984 427 1HD PRO 51 2HD PRO 51 9.041 -12.358 -5.423 428 2HD PRO 51 1HD PRO 51 10.021 -11.049 -4.721 429 H LEU 52 H LEU 52 5.397 -10.504 -1.539 430 HA LEU 52 HA LEU 52 3.868 -12.855 -2.520 431 1HB LEU 52 2HB LEU 52 4.269 -11.443 -0.061 432 2HB LEU 52 1HB LEU 52 2.554 -11.355 -0.455 433 HG LEU 52 HG LEU 52 3.075 -13.370 0.887 434 1HD1 LEU 52 1HD1 LEU 52 1.217 -13.439 -0.737 435 2HD1 LEU 52 2HD1 LEU 52 1.996 -15.015 -0.602 436 3HD1 LEU 52 3HD1 LEU 52 2.332 -13.982 -1.991 437 1HD2 LEU 52 1HD2 LEU 52 4.643 -14.366 -1.498 438 2HD2 LEU 52 2HD2 LEU 52 4.552 -15.067 0.116 439 3HD2 LEU 52 3HD2 LEU 52 5.428 -13.558 -0.141 440 H ASN 53 H ASN 53 3.253 -9.370 -1.902 441 HA ASN 53 HA ASN 53 1.352 -9.363 -4.216 442 1HB ASN 53 2HB ASN 53 0.368 -9.661 -1.799 443 2HB ASN 53 1HB ASN 53 0.733 -7.944 -1.630 444 1HD2 ASN 53 1HD2 ASN 53 -1.597 -10.162 -2.823 445 2HD2 ASN 53 2HD2 ASN 53 -2.520 -9.059 -3.725 446 H ASN 54 H ASN 54 1.730 -7.583 -5.515 447 HA ASN 54 HA ASN 54 3.370 -5.347 -4.354 448 1HB ASN 54 2HB ASN 54 3.251 -6.647 -7.087 449 2HB ASN 54 1HB ASN 54 4.069 -5.111 -6.812 450 1HD2 ASN 54 1HD2 ASN 54 6.279 -5.390 -6.434 451 2HD2 ASN 54 2HD2 ASN 54 6.973 -6.733 -5.662 452 H PHE 55 H PHE 55 2.625 -3.260 -4.654 453 HA PHE 55 HA PHE 55 0.087 -2.885 -6.223 454 1HB PHE 55 2HB PHE 55 0.808 -2.438 -3.422 455 2HB PHE 55 1HB PHE 55 0.178 -0.976 -4.176 456 HD1 PHE 55 1HD PHE 55 -0.545 -4.644 -3.883 457 HD2 PHE 55 2HD PHE 55 -2.133 -0.682 -4.363 458 HE1 PHE 55 1HE PHE 55 -2.849 -5.549 -3.726 459 HE2 PHE 55 2HE PHE 55 -4.437 -1.588 -4.207 460 HZ PHE 55 HZ PHE 55 -4.795 -4.021 -3.887 461 H SER 56 H SER 56 -0.107 -0.800 -7.269 462 HA SER 56 HA SER 56 2.452 0.769 -7.417 463 1HB SER 56 2HB SER 56 0.480 -0.132 -9.520 464 2HB SER 56 1HB SER 56 1.596 1.197 -9.819 465 HG SER 56 HG SER 56 3.132 -0.213 -10.049 466 H VAL 57 H VAL 57 2.240 2.992 -7.214 467 HA VAL 57 HA VAL 57 -0.466 4.218 -7.386 468 HB VAL 57 HB VAL 57 -0.169 3.407 -5.078 469 1HG1 VAL 57 1HG1 VAL 57 2.217 3.325 -4.855 470 2HG1 VAL 57 2HG1 VAL 57 1.644 4.507 -3.679 471 3HG1 VAL 57 3HG1 VAL 57 2.373 5.049 -5.189 472 1HG2 VAL 57 1HG2 VAL 57 0.262 6.225 -4.474 473 2HG2 VAL 57 2HG2 VAL 57 -1.201 5.255 -4.299 474 3HG2 VAL 57 3HG2 VAL 57 -0.828 6.015 -5.846 475 H ALA 58 H ALA 58 1.292 4.751 -9.324 476 HA ALA 58 HA ALA 58 3.109 6.971 -8.685 477 1HB ALA 58 1HB ALA 58 2.110 5.756 -11.287 478 2HB ALA 58 2HB ALA 58 3.604 5.332 -10.448 479 3HB ALA 58 3HB ALA 58 3.419 6.932 -11.168 480 H GLU 59 H GLU 59 0.071 6.608 -10.551 481 HA GLU 59 HA GLU 59 -0.495 9.513 -10.052 482 1HB GLU 59 2HB GLU 59 -0.107 8.026 -12.506 483 2HB GLU 59 1HB GLU 59 -1.754 8.653 -12.453 484 1HG GLU 59 2HG GLU 59 0.663 10.370 -11.844 485 2HG GLU 59 1HG GLU 59 -0.012 10.218 -13.465 486 H CYS 60 H CYS 60 -1.446 7.807 -8.213 487 HA CYS 60 HA CYS 60 -4.290 7.243 -8.999 488 1HB CYS 60 2HB CYS 60 -2.244 5.813 -7.320 489 2HB CYS 60 1HB CYS 60 -3.958 5.558 -7.002 490 H GLN 61 H GLN 61 -5.442 6.878 -6.568 491 HA GLN 61 HA GLN 61 -4.755 9.231 -4.861 492 1HB GLN 61 2HB GLN 61 -6.424 9.823 -6.648 493 2HB GLN 61 1HB GLN 61 -7.506 8.599 -5.983 494 1HG GLN 61 2HG GLN 61 -6.632 10.217 -3.808 495 2HG GLN 61 1HG GLN 61 -7.128 11.305 -5.105 496 1HE2 GLN 61 1HE2 GLN 61 -8.280 8.589 -3.078 497 2HE2 GLN 61 2HE2 GLN 61 -9.930 8.907 -3.315 498 H LEU 62 H LEU 62 -5.125 8.817 -2.677 499 HA LEU 62 HA LEU 62 -6.309 6.154 -1.980 500 1HB LEU 62 2HB LEU 62 -3.927 7.538 -1.282 501 2HB LEU 62 1HB LEU 62 -4.925 7.507 0.169 502 HG LEU 62 HG LEU 62 -3.550 5.509 0.142 503 1HD1 LEU 62 1HD1 LEU 62 -6.119 5.440 0.685 504 2HD1 LEU 62 2HD1 LEU 62 -5.219 3.929 0.550 505 3HD1 LEU 62 3HD1 LEU 62 -6.215 4.485 -0.795 506 1HD2 LEU 62 1HD2 LEU 62 -2.954 5.274 -2.147 507 2HD2 LEU 62 2HD2 LEU 62 -4.640 5.222 -2.663 508 3HD2 LEU 62 3HD2 LEU 62 -3.940 3.857 -1.791 509 H MET 63 H MET 63 -7.990 6.059 -0.453 510 HA MET 63 HA MET 63 -9.000 8.660 0.648 511 1HB MET 63 2HB MET 63 -10.231 8.076 -1.388 512 2HB MET 63 1HB MET 63 -10.532 6.452 -0.770 513 1HG MET 63 2HG MET 63 -12.531 7.711 -0.358 514 2HG MET 63 1HG MET 63 -11.718 7.550 1.199 515 1HE MET 63 1HE MET 63 -11.263 9.640 2.733 516 2HE MET 63 2HE MET 63 -12.913 9.219 2.279 517 3HE MET 63 3HE MET 63 -12.421 10.910 2.316 518 H LYS 64 H LYS 64 -9.519 8.504 2.807 519 HA LYS 64 HA LYS 64 -9.228 5.905 4.166 520 1HB LYS 64 2HB LYS 64 -9.394 7.276 6.193 521 2HB LYS 64 1HB LYS 64 -8.301 8.047 5.057 522 1HG LYS 64 2HG LYS 64 -9.852 9.729 4.507 523 2HG LYS 64 1HG LYS 64 -11.221 8.794 5.103 524 1HD LYS 64 2HD LYS 64 -10.745 10.561 6.698 525 2HD LYS 64 1HD LYS 64 -10.301 9.016 7.422 526 1HE LYS 64 2HE LYS 64 -7.941 9.394 6.916 527 2HE LYS 64 1HE LYS 64 -8.338 10.881 6.033 528 1HZ LYS 64 1HZ LYS 64 -9.185 10.464 8.843 529 2HZ LYS 64 2HZ LYS 64 -9.097 11.921 7.973 530 3HZ LYS 64 3HZ LYS 64 -7.671 11.133 8.465 531 H THR 65 H THR 65 -10.924 4.654 4.904 532 HA THR 65 HA THR 65 -13.680 5.803 4.930 533 HB THR 65 HB THR 65 -13.271 4.887 2.690 534 HG1 THR 65 1HG THR 65 -14.915 3.220 2.770 535 1HG2 THR 65 1HG2 THR 65 -11.507 3.340 2.994 536 2HG2 THR 65 2HG2 THR 65 -12.897 2.338 2.577 537 3HG2 THR 65 3HG2 THR 65 -12.376 2.468 4.256 538 H GLU 66 H GLU 66 -15.222 3.860 5.663 539 HA GLU 66 HA GLU 66 -13.868 2.366 7.884 540 1HB GLU 66 2HB GLU 66 -15.920 2.866 9.214 541 2HB GLU 66 1HB GLU 66 -15.082 4.334 8.715 542 1HG GLU 66 2HG GLU 66 -16.676 4.806 7.023 543 2HG GLU 66 1HG GLU 66 -17.330 3.169 7.066 544 H ARG 67 H ARG 67 -14.557 1.409 5.170 545 HA ARG 67 HA ARG 67 -16.517 -0.726 5.939 546 1HB ARG 67 2HB ARG 67 -16.383 1.097 3.553 547 2HB ARG 67 1HB ARG 67 -17.082 -0.512 3.369 548 1HG ARG 67 2HG ARG 67 -18.705 -0.067 5.123 549 2HG ARG 67 1HG ARG 67 -17.951 1.489 5.474 550 1HD ARG 67 2HD ARG 67 -19.182 2.486 3.852 551 2HD ARG 67 1HD ARG 67 -18.583 1.327 2.651 552 HE ARG 67 HE ARG 67 -20.499 -0.030 3.035 553 1HH1 ARG 67 1HH2 ARG 67 -20.235 2.519 5.394 554 2HH1 ARG 67 2HH2 ARG 67 -21.825 2.260 6.022 555 1HH2 ARG 67 1HH1 ARG 67 -22.566 -0.358 3.871 556 2HH2 ARG 67 2HH1 ARG 67 -23.138 0.636 5.167 557 HA PRO 68 HA PRO 68 -17.146 -2.576 5.381 558 1HB PRO 68 2HB PRO 68 -16.441 -4.974 6.493 559 2HB PRO 68 1HB PRO 68 -16.866 -4.786 4.781 560 1HG PRO 68 2HG PRO 68 -14.185 -4.999 6.052 561 2HG PRO 68 1HG PRO 68 -14.770 -5.681 4.527 562 1HD PRO 68 2HD PRO 68 -13.208 -3.451 4.681 563 2HD PRO 68 1HD PRO 68 -14.350 -3.762 3.358 564 H ARG 69 H ARG 69 -14.039 -2.249 6.942 565 HA ARG 69 HA ARG 69 -15.402 -1.946 9.602 566 1HB ARG 69 2HB ARG 69 -12.561 -2.785 8.920 567 2HB ARG 69 1HB ARG 69 -13.229 -2.672 10.546 568 1HG ARG 69 2HG ARG 69 -15.092 -4.265 9.370 569 2HG ARG 69 1HG ARG 69 -13.653 -4.744 8.471 570 1HD ARG 69 2HD ARG 69 -13.548 -6.192 10.320 571 2HD ARG 69 1HD ARG 69 -12.558 -4.835 10.889 572 HE ARG 69 HE ARG 69 -14.317 -4.197 12.351 573 1HH1 ARG 69 1HH2 ARG 69 -15.371 -6.601 10.060 574 2HH1 ARG 69 2HH2 ARG 69 -16.884 -6.863 10.854 575 1HH2 ARG 69 1HH1 ARG 69 -16.296 -4.553 13.375 576 2HH2 ARG 69 2HH1 ARG 69 -17.407 -5.711 12.724 577 HA PRO 70 HA PRO 70 -14.005 2.218 9.738 578 1HB PRO 70 2HB PRO 70 -13.178 2.489 12.340 579 2HB PRO 70 1HB PRO 70 -14.887 2.404 11.863 580 1HG PRO 70 2HG PRO 70 -13.112 0.249 12.923 581 2HG PRO 70 1HG PRO 70 -14.792 0.630 13.340 582 1HD PRO 70 2HD PRO 70 -14.166 -1.388 11.677 583 2HD PRO 70 1HD PRO 70 -15.638 -0.413 11.459 584 H ASN 71 H ASN 71 -12.046 3.577 9.965 585 HA ASN 71 HA ASN 71 -9.750 3.988 9.656 586 1HB ASN 71 2HB ASN 71 -9.557 1.465 11.336 587 2HB ASN 71 1HB ASN 71 -8.279 2.658 11.119 588 1HD2 ASN 71 1HD2 ASN 71 -8.809 4.935 11.929 589 2HD2 ASN 71 2HD2 ASN 71 -9.853 5.089 13.257 590 H THR 72 H THR 72 -10.603 3.102 7.373 591 HA THR 72 HA THR 72 -8.759 0.874 6.552 592 HB THR 72 HB THR 72 -11.641 1.475 5.837 593 HG1 THR 72 1HG THR 72 -10.238 -0.549 7.189 594 1HG2 THR 72 1HG2 THR 72 -9.632 -0.315 4.472 595 2HG2 THR 72 2HG2 THR 72 -10.721 0.866 3.744 596 3HG2 THR 72 3HG2 THR 72 -11.363 -0.643 4.391 597 H PHE 73 H PHE 73 -8.022 1.042 4.300 598 HA PHE 73 HA PHE 73 -8.141 3.847 3.221 599 1HB PHE 73 2HB PHE 73 -5.991 2.000 3.923 600 2HB PHE 73 1HB PHE 73 -5.852 2.546 2.253 601 HD1 PHE 73 1HD PHE 73 -7.524 4.673 4.748 602 HD2 PHE 73 2HD PHE 73 -3.809 3.828 2.763 603 HE1 PHE 73 1HE PHE 73 -6.611 6.838 5.531 604 HE2 PHE 73 2HE PHE 73 -2.899 5.993 3.549 605 HZ PHE 73 HZ PHE 73 -4.302 7.496 4.933 606 H VAL 74 H VAL 74 -8.943 4.023 1.170 607 HA VAL 74 HA VAL 74 -9.064 1.549 -0.531 608 HB VAL 74 HB VAL 74 -11.054 3.798 -0.093 609 1HG1 VAL 74 1HG1 VAL 74 -12.441 2.284 -1.714 610 2HG1 VAL 74 2HG1 VAL 74 -10.864 1.698 -2.246 611 3HG1 VAL 74 3HG1 VAL 74 -11.268 3.408 -2.401 612 1HG2 VAL 74 1HG2 VAL 74 -12.492 2.054 0.743 613 2HG2 VAL 74 2HG2 VAL 74 -10.931 1.856 1.540 614 3HG2 VAL 74 3HG2 VAL 74 -11.378 0.798 0.202 615 H ILE 75 H ILE 75 -8.117 1.780 -2.509 616 HA ILE 75 HA ILE 75 -7.430 4.549 -3.437 617 HB ILE 75 HB ILE 75 -5.478 3.254 -2.855 618 1HG1 ILE 75 2HG1 ILE 75 -5.661 2.934 -5.851 619 2HG1 ILE 75 1HG1 ILE 75 -5.583 4.531 -5.109 620 1HG2 ILE 75 1HG2 ILE 75 -6.781 1.075 -4.494 621 2HG2 ILE 75 2HG2 ILE 75 -6.267 1.012 -2.809 622 3HG2 ILE 75 3HG2 ILE 75 -5.065 1.050 -4.097 623 1HD1 ILE 75 1HD1 ILE 75 -3.587 2.484 -4.229 624 2HD1 ILE 75 2HD1 ILE 75 -3.412 4.234 -4.365 625 3HD1 ILE 75 3HD1 ILE 75 -3.365 3.228 -5.812 626 H ARG 76 H ARG 76 -8.442 5.184 -5.288 627 HA ARG 76 HA ARG 76 -10.114 3.292 -6.798 628 1HB ARG 76 2HB ARG 76 -10.519 5.781 -6.097 629 2HB ARG 76 1HB ARG 76 -9.541 6.166 -7.513 630 1HG ARG 76 2HG ARG 76 -11.117 4.554 -8.790 631 2HG ARG 76 1HG ARG 76 -12.187 4.720 -7.399 632 1HD ARG 76 2HD ARG 76 -12.416 7.085 -7.734 633 2HD ARG 76 1HD ARG 76 -11.087 7.112 -8.912 634 HE ARG 76 HE ARG 76 -12.889 5.252 -9.943 635 1HH1 ARG 76 1HH2 ARG 76 -13.008 8.593 -8.981 636 2HH1 ARG 76 2HH2 ARG 76 -14.254 8.998 -10.109 637 1HH2 ARG 76 1HH1 ARG 76 -14.511 5.791 -11.412 638 2HH2 ARG 76 2HH1 ARG 76 -15.104 7.416 -11.482 639 H CYS 77 H CYS 77 -7.261 5.343 -7.470 640 HA CYS 77 HA CYS 77 -5.612 5.211 -9.147 641 1HB CYS 77 2HB CYS 77 -6.568 2.472 -8.599 642 2HB CYS 77 1HB CYS 77 -5.799 2.658 -10.173 643 H LEU 78 H LEU 78 -5.427 4.367 -11.631 644 HA LEU 78 HA LEU 78 -7.909 5.362 -12.973 645 1HB LEU 78 2HB LEU 78 -5.265 6.114 -13.145 646 2HB LEU 78 1HB LEU 78 -5.415 5.019 -14.519 647 HG LEU 78 HG LEU 78 -7.631 6.965 -14.161 648 1HD1 LEU 78 1HD1 LEU 78 -4.911 7.828 -15.189 649 2HD1 LEU 78 2HD1 LEU 78 -5.594 8.312 -13.638 650 3HD1 LEU 78 3HD1 LEU 78 -6.373 8.812 -15.139 651 1HD2 LEU 78 1HD2 LEU 78 -5.971 6.225 -16.588 652 2HD2 LEU 78 2HD2 LEU 78 -7.575 6.956 -16.572 653 3HD2 LEU 78 3HD2 LEU 78 -7.363 5.286 -16.048 654 H GLN 79 H GLN 79 -9.066 3.970 -14.256 655 HA GLN 79 HA GLN 79 -9.691 2.011 -15.415 656 1HB GLN 79 2HB GLN 79 -6.995 2.695 -16.086 657 2HB GLN 79 1HB GLN 79 -7.086 0.938 -15.968 658 1HG GLN 79 2HG GLN 79 -8.721 0.780 -17.645 659 2HG GLN 79 1HG GLN 79 -9.204 2.468 -17.465 660 1HE2 GLN 79 1HE2 GLN 79 -7.737 4.133 -18.376 661 2HE2 GLN 79 2HE2 GLN 79 -6.604 3.715 -19.567 662 H TRP 80 H TRP 80 -8.730 -0.541 -15.478 663 HA TRP 80 HA TRP 80 -8.671 -2.527 -14.208 664 1HB TRP 80 2HB TRP 80 -6.581 -0.748 -13.451 665 2HB TRP 80 1HB TRP 80 -7.168 -1.498 -11.969 666 HD1 TRP 80 HD TRP 80 -6.163 -3.766 -11.445 667 HE1 TRP 80 1HE TRP 80 -4.990 -5.626 -12.792 668 HE3 TRP 80 3HE TRP 80 -6.579 -1.839 -16.157 669 HZ2 TRP 80 2HZ TRP 80 -4.319 -6.218 -15.509 670 HZ3 TRP 80 3HZ TRP 80 -5.666 -3.071 -18.103 671 HH2 TRP 80 HH TRP 80 -4.537 -5.256 -17.786 672 H THR 81 H THR 81 -11.057 -2.068 -13.758 673 HA THR 81 HA THR 81 -11.723 -0.988 -11.101 674 HB THR 81 HB THR 81 -14.057 -1.790 -11.948 675 HG1 THR 81 1HG THR 81 -14.148 -2.555 -13.927 676 1HG2 THR 81 1HG2 THR 81 -12.782 0.547 -12.167 677 2HG2 THR 81 2HG2 THR 81 -14.342 0.267 -12.940 678 3HG2 THR 81 3HG2 THR 81 -12.856 0.139 -13.881 679 H THR 82 H THR 82 -10.143 -2.915 -10.315 680 HA THR 82 HA THR 82 -11.317 -5.583 -10.202 681 HB THR 82 HB THR 82 -9.262 -4.587 -8.252 682 HG1 THR 82 1HG THR 82 -8.764 -5.024 -11.012 683 1HG2 THR 82 1HG2 THR 82 -8.206 -6.785 -9.074 684 2HG2 THR 82 2HG2 THR 82 -9.746 -7.079 -9.881 685 3HG2 THR 82 3HG2 THR 82 -9.689 -6.912 -8.127 686 H VAL 83 H VAL 83 -12.313 -6.567 -8.358 687 HA VAL 83 HA VAL 83 -13.776 -4.690 -6.607 688 HB VAL 83 HB VAL 83 -13.793 -7.715 -6.915 689 1HG1 VAL 83 1HG1 VAL 83 -14.624 -6.897 -4.696 690 2HG1 VAL 83 2HG1 VAL 83 -15.882 -7.665 -5.665 691 3HG1 VAL 83 3HG1 VAL 83 -15.810 -5.907 -5.548 692 1HG2 VAL 83 1HG2 VAL 83 -14.528 -6.578 -8.947 693 2HG2 VAL 83 2HG2 VAL 83 -15.592 -5.528 -8.011 694 3HG2 VAL 83 3HG2 VAL 83 -15.937 -7.254 -8.129 695 H ILE 84 H ILE 84 -11.482 -7.419 -6.199 696 HA ILE 84 HA ILE 84 -11.091 -6.576 -3.354 697 HB ILE 84 HB ILE 84 -11.894 -8.894 -3.937 698 1HG1 ILE 84 2HG1 ILE 84 -10.081 -10.066 -2.550 699 2HG1 ILE 84 1HG1 ILE 84 -9.243 -8.515 -2.526 700 1HG2 ILE 84 1HG2 ILE 84 -9.988 -8.776 -5.927 701 2HG2 ILE 84 2HG2 ILE 84 -10.785 -10.248 -5.376 702 3HG2 ILE 84 3HG2 ILE 84 -9.210 -9.802 -4.722 703 1HD1 ILE 84 1HD1 ILE 84 -10.630 -8.726 -0.524 704 2HD1 ILE 84 2HD1 ILE 84 -12.053 -9.046 -1.516 705 3HD1 ILE 84 3HD1 ILE 84 -11.283 -7.460 -1.563 706 H GLU 85 H GLU 85 -9.793 -4.874 -5.036 707 HA GLU 85 HA GLU 85 -6.941 -5.526 -4.538 708 1HB GLU 85 2HB GLU 85 -8.122 -6.126 -6.955 709 2HB GLU 85 1HB GLU 85 -7.447 -4.527 -7.263 710 1HG GLU 85 2HG GLU 85 -5.543 -5.705 -7.705 711 2HG GLU 85 1HG GLU 85 -5.367 -5.686 -5.951 712 H ARG 86 H ARG 86 -9.083 -3.406 -3.767 713 HA ARG 86 HA ARG 86 -7.325 -1.046 -4.288 714 1HB ARG 86 2HB ARG 86 -10.115 -1.563 -5.165 715 2HB ARG 86 1HB ARG 86 -9.790 0.056 -4.542 716 1HG ARG 86 2HG ARG 86 -9.099 0.466 -6.679 717 2HG ARG 86 1HG ARG 86 -7.610 -0.300 -6.133 718 1HD ARG 86 2HD ARG 86 -8.281 -1.358 -8.224 719 2HD ARG 86 1HD ARG 86 -8.580 -2.519 -6.919 720 HE ARG 86 HE ARG 86 -10.899 -2.251 -7.267 721 1HH1 ARG 86 1HH2 ARG 86 -9.106 0.311 -8.803 722 2HH1 ARG 86 2HH2 ARG 86 -10.505 0.998 -9.551 723 1HH2 ARG 86 1HH1 ARG 86 -12.705 -1.352 -8.249 724 2HH2 ARG 86 2HH1 ARG 86 -12.540 0.062 -9.236 725 H THR 87 H THR 87 -8.597 -2.881 -1.894 726 HA THR 87 HA THR 87 -8.911 -0.510 -0.093 727 HB THR 87 HB THR 87 -11.115 -1.481 -0.821 728 HG1 THR 87 1HG THR 87 -11.933 -1.425 1.220 729 1HG2 THR 87 1HG2 THR 87 -10.243 -3.850 -0.960 730 2HG2 THR 87 2HG2 THR 87 -11.772 -3.682 -0.099 731 3HG2 THR 87 3HG2 THR 87 -10.272 -3.894 0.803 732 H PHE 88 H PHE 88 -7.816 -0.719 1.839 733 HA PHE 88 HA PHE 88 -7.001 -3.421 2.764 734 1HB PHE 88 2HB PHE 88 -4.748 -3.089 2.448 735 2HB PHE 88 1HB PHE 88 -5.334 -2.053 1.154 736 HD1 PHE 88 1HD PHE 88 -4.423 -1.948 4.797 737 HD2 PHE 88 2HD PHE 88 -4.654 0.186 1.076 738 HE1 PHE 88 1HE PHE 88 -3.265 -0.021 5.831 739 HE2 PHE 88 2HE PHE 88 -3.493 2.113 2.113 740 HZ PHE 88 HZ PHE 88 -2.796 2.011 4.494 741 H HIS 89 H HIS 89 -6.583 -3.496 5.026 742 HA HIS 89 HA HIS 89 -7.598 -1.121 6.538 743 1HB HIS 89 2HB HIS 89 -7.410 -4.098 7.065 744 2HB HIS 89 1HB HIS 89 -7.847 -2.948 8.327 745 HD1 HIS 89 1HD HIS 89 -10.230 -4.154 8.357 746 HD2 HIS 89 2HD HIS 89 -9.328 -2.121 4.833 747 HE1 HIS 89 1HE HIS 89 -12.415 -3.883 7.107 748 H VAL 90 H VAL 90 -6.456 -0.461 8.470 749 HA VAL 90 HA VAL 90 -3.538 -1.146 8.438 750 HB VAL 90 HB VAL 90 -3.359 1.004 9.726 751 1HG1 VAL 90 1HG1 VAL 90 -3.005 1.264 7.415 752 2HG1 VAL 90 2HG1 VAL 90 -4.258 2.453 7.767 753 3HG1 VAL 90 3HG1 VAL 90 -4.688 0.913 7.024 754 1HG2 VAL 90 1HG2 VAL 90 -6.191 1.646 9.005 755 2HG2 VAL 90 2HG2 VAL 90 -5.200 2.270 10.322 756 3HG2 VAL 90 3HG2 VAL 90 -5.913 0.663 10.442 757 H ASP 91 H ASP 91 -2.493 -1.534 10.526 758 HA ASP 91 HA ASP 91 -4.080 -3.171 12.324 759 1HB ASP 91 2HB ASP 91 -1.247 -2.132 12.228 760 2HB ASP 91 1HB ASP 91 -1.820 -3.083 13.599 761 H SER 92 H SER 92 -3.230 0.226 12.264 762 HA SER 92 HA SER 92 -4.592 0.570 14.909 763 1HB SER 92 2HB SER 92 -1.997 1.797 13.933 764 2HB SER 92 1HB SER 92 -2.842 2.320 15.385 765 HG SER 92 HG SER 92 -1.286 0.115 14.936 766 HA PRO 93 HA PRO 93 -6.825 3.676 12.689 767 1HB PRO 93 2HB PRO 93 -7.547 5.301 14.781 768 2HB PRO 93 1HB PRO 93 -8.317 3.734 14.465 769 1HG PRO 93 2HG PRO 93 -6.178 4.427 16.425 770 2HG PRO 93 1HG PRO 93 -7.593 3.379 16.625 771 1HD PRO 93 2HD PRO 93 -5.115 2.395 16.191 772 2HD PRO 93 1HD PRO 93 -6.580 1.587 15.590 773 H ASP 94 H ASP 94 -4.227 4.528 14.907 774 HA ASP 94 HA ASP 94 -3.898 7.270 13.974 775 1HB ASP 94 2HB ASP 94 -1.869 5.478 15.346 776 2HB ASP 94 1HB ASP 94 -1.995 7.233 15.444 777 H GLU 95 H GLU 95 -2.365 4.123 13.261 778 HA GLU 95 HA GLU 95 -0.289 5.052 11.541 779 1HB GLU 95 2HB GLU 95 -1.693 2.544 12.203 780 2HB GLU 95 1HB GLU 95 -1.006 2.571 10.579 781 1HG GLU 95 2HG GLU 95 0.996 2.100 11.500 782 2HG GLU 95 1HG GLU 95 0.972 3.708 12.220 783 H ARG 96 H ARG 96 -3.716 4.278 10.873 784 HA ARG 96 HA ARG 96 -3.678 4.336 8.035 785 1HB ARG 96 2HB ARG 96 -5.616 3.670 9.327 786 2HB ARG 96 1HB ARG 96 -5.720 5.259 10.080 787 1HG ARG 96 2HG ARG 96 -6.669 6.229 8.219 788 2HG ARG 96 1HG ARG 96 -5.797 5.178 7.103 789 1HD ARG 96 2HD ARG 96 -7.407 3.542 7.170 790 2HD ARG 96 1HD ARG 96 -7.786 3.844 8.874 791 HE ARG 96 HE ARG 96 -9.051 5.143 6.592 792 1HH1 ARG 96 1HH2 ARG 96 -8.038 5.594 9.888 793 2HH1 ARG 96 2HH2 ARG 96 -9.327 6.682 10.265 794 1HH2 ARG 96 1HH1 ARG 96 -10.761 6.542 7.111 795 2HH2 ARG 96 2HH1 ARG 96 -10.857 7.220 8.702 796 H GLU 97 H GLU 97 -4.161 7.065 10.324 797 HA GLU 97 HA GLU 97 -4.302 9.115 8.304 798 1HB GLU 97 2HB GLU 97 -5.001 9.242 10.734 799 2HB GLU 97 1HB GLU 97 -3.293 9.309 11.164 800 1HG GLU 97 2HG GLU 97 -4.434 11.567 11.001 801 2HG GLU 97 1HG GLU 97 -2.997 11.392 9.996 802 H GLU 98 H GLU 98 -1.600 7.655 10.100 803 HA GLU 98 HA GLU 98 0.489 9.406 9.198 804 1HB GLU 98 2HB GLU 98 0.534 7.754 11.099 805 2HB GLU 98 1HB GLU 98 0.584 6.453 9.911 806 1HG GLU 98 2HG GLU 98 2.619 8.108 9.051 807 2HG GLU 98 1HG GLU 98 2.730 8.255 10.805 808 H TRP 99 H TRP 99 -0.889 6.391 7.850 809 HA TRP 99 HA TRP 99 0.934 6.002 5.684 810 1HB TRP 99 2HB TRP 99 -1.995 5.377 6.137 811 2HB TRP 99 1HB TRP 99 -1.159 4.871 4.671 812 HD1 TRP 99 HD TRP 99 -2.123 3.480 7.780 813 HE1 TRP 99 1HE TRP 99 -0.577 1.578 8.561 814 HE3 TRP 99 3HE TRP 99 1.889 4.305 4.727 815 HZ2 TRP 99 2HZ TRP 99 2.020 0.535 7.963 816 HZ3 TRP 99 3HZ TRP 99 3.887 2.838 4.854 817 HH2 TRP 99 HH TRP 99 3.953 0.956 6.469 818 H MET 100 H MET 100 -2.075 7.914 5.909 819 HA MET 100 HA MET 100 -2.254 8.782 3.202 820 1HB MET 100 2HB MET 100 -3.721 9.065 5.455 821 2HB MET 100 1HB MET 100 -2.960 10.655 5.416 822 1HG MET 100 2HG MET 100 -3.868 11.155 3.276 823 2HG MET 100 1HG MET 100 -4.319 9.473 2.988 824 1HE MET 100 1HE MET 100 -7.893 9.820 3.473 825 2HE MET 100 2HE MET 100 -6.620 8.614 3.308 826 3HE MET 100 3HE MET 100 -6.613 10.040 2.273 827 H ARG 101 H ARG 101 -0.625 10.303 6.003 828 HA ARG 101 HA ARG 101 0.379 12.629 4.725 829 1HB ARG 101 2HB ARG 101 1.427 10.871 6.964 830 2HB ARG 101 1HB ARG 101 2.126 12.441 6.570 831 1HG ARG 101 2HG ARG 101 -0.648 12.887 6.700 832 2HG ARG 101 1HG ARG 101 -0.286 11.838 8.071 833 1HD ARG 101 2HD ARG 101 1.340 13.380 8.941 834 2HD ARG 101 1HD ARG 101 1.310 14.347 7.454 835 HE ARG 101 HE ARG 101 -0.836 14.250 9.503 836 1HH1 ARG 101 1HH2 ARG 101 0.265 15.320 6.373 837 2HH1 ARG 101 2HH2 ARG 101 -0.906 16.587 6.268 838 1HH2 ARG 101 1HH1 ARG 101 -2.360 15.899 9.339 839 2HH2 ARG 101 2HH1 ARG 101 -2.386 16.914 7.936 840 H ALA 102 H ALA 102 1.822 9.360 4.973 841 HA ALA 102 HA ALA 102 4.295 9.958 3.642 842 1HB ALA 102 1HB ALA 102 3.991 7.949 4.952 843 2HB ALA 102 2HB ALA 102 4.269 7.447 3.284 844 3HB ALA 102 3HB ALA 102 2.634 7.438 3.947 845 H ILE 103 H ILE 103 1.134 8.829 2.414 846 HA ILE 103 HA ILE 103 1.901 8.457 -0.325 847 HB ILE 103 HB ILE 103 -0.722 9.209 1.016 848 1HG1 ILE 103 2HG1 ILE 103 0.054 6.522 -0.114 849 2HG1 ILE 103 1HG1 ILE 103 0.552 6.985 1.513 850 1HG2 ILE 103 1HG2 ILE 103 -0.035 8.544 -1.836 851 2HG2 ILE 103 2HG2 ILE 103 -1.158 9.755 -1.215 852 3HG2 ILE 103 3HG2 ILE 103 -1.596 8.047 -1.181 853 1HD1 ILE 103 1HD1 ILE 103 -1.766 7.349 2.166 854 2HD1 ILE 103 2HD1 ILE 103 -1.606 5.730 1.487 855 3HD1 ILE 103 3HD1 ILE 103 -2.312 7.025 0.521 856 H GLN 104 H GLN 104 0.718 11.306 1.462 857 HA GLN 104 HA GLN 104 0.467 13.099 -0.761 858 1HB GLN 104 2HB GLN 104 -0.505 13.551 1.420 859 2HB GLN 104 1HB GLN 104 1.080 13.486 2.188 860 1HG GLN 104 2HG GLN 104 0.564 15.810 1.944 861 2HG GLN 104 1HG GLN 104 1.745 15.444 0.689 862 1HE2 GLN 104 1HE2 GLN 104 0.911 15.203 -1.561 863 2HE2 GLN 104 2HE2 GLN 104 -0.574 15.900 -1.993 864 H MET 105 H MET 105 3.214 12.388 1.427 865 HA MET 105 HA MET 105 5.053 14.310 0.359 866 1HB MET 105 2HB MET 105 5.115 12.842 2.493 867 2HB MET 105 1HB MET 105 5.764 11.578 1.448 868 1HG MET 105 2HG MET 105 7.010 14.305 1.364 869 2HG MET 105 1HG MET 105 7.399 13.231 2.706 870 1HE MET 105 1HE MET 105 9.015 11.569 2.733 871 2HE MET 105 2HE MET 105 9.476 10.494 1.416 872 3HE MET 105 3HE MET 105 7.824 10.465 2.028 873 H VAL 106 H VAL 106 4.460 10.885 -0.486 874 HA VAL 106 HA VAL 106 6.495 10.613 -2.480 875 HB VAL 106 HB VAL 106 3.774 9.308 -2.112 876 1HG1 VAL 106 1HG1 VAL 106 4.382 8.791 -4.342 877 2HG1 VAL 106 2HG1 VAL 106 4.958 7.411 -3.407 878 3HG1 VAL 106 3HG1 VAL 106 6.093 8.654 -3.934 879 1HG2 VAL 106 1HG2 VAL 106 6.127 9.202 -0.571 880 2HG2 VAL 106 2HG2 VAL 106 6.124 7.709 -1.510 881 3HG2 VAL 106 3HG2 VAL 106 4.752 8.102 -0.475 882 H ALA 107 H ALA 107 3.087 11.667 -2.711 883 HA ALA 107 HA ALA 107 2.951 11.935 -5.558 884 1HB ALA 107 1HB ALA 107 1.562 13.469 -3.334 885 2HB ALA 107 2HB ALA 107 1.033 11.920 -3.993 886 3HB ALA 107 3HB ALA 107 1.006 13.365 -5.005 887 H ASN 108 H ASN 108 4.037 14.190 -3.013 888 HA ASN 108 HA ASN 108 4.338 16.539 -4.620 889 1HB ASN 108 2HB ASN 108 5.450 15.435 -2.063 890 2HB ASN 108 1HB ASN 108 6.224 16.862 -2.751 891 1HD2 ASN 108 1HD2 ASN 108 3.270 15.668 -1.234 892 2HD2 ASN 108 2HD2 ASN 108 2.526 17.185 -1.073 893 H SER 109 H SER 109 6.606 13.871 -3.894 894 HA SER 109 HA SER 109 8.784 14.992 -5.485 895 1HB SER 109 2HB SER 109 8.331 12.163 -4.486 896 2HB SER 109 1HB SER 109 9.877 12.907 -4.890 897 HG SER 109 HG SER 109 9.910 13.591 -2.910 898 H LEU 110 H LEU 110 6.176 12.648 -6.021 899 HA LEU 110 HA LEU 110 7.088 11.493 -8.473 900 1HB LEU 110 2HB LEU 110 4.693 11.641 -6.816 901 2HB LEU 110 1HB LEU 110 4.281 11.624 -8.529 902 HG LEU 110 HG LEU 110 5.520 9.579 -8.880 903 1HD1 LEU 110 1HD1 LEU 110 6.491 8.481 -6.708 904 2HD1 LEU 110 2HD1 LEU 110 6.522 10.135 -6.097 905 3HD1 LEU 110 3HD1 LEU 110 7.441 9.712 -7.540 906 1HD2 LEU 110 1HD2 LEU 110 3.203 9.525 -7.783 907 2HD2 LEU 110 2HD2 LEU 110 4.043 9.206 -6.266 908 3HD2 LEU 110 3HD2 LEU 110 4.181 8.068 -7.606 909 H LYS 111 H LYS 111 5.498 14.566 -7.775 910 HA LYS 111 HA LYS 111 5.015 16.421 -9.134 911 1HB LYS 111 2HB LYS 111 6.952 14.923 -10.937 912 2HB LYS 111 1HB LYS 111 6.449 16.594 -11.179 913 1HG LYS 111 2HG LYS 111 7.409 16.020 -8.452 914 2HG LYS 111 1HG LYS 111 8.636 15.818 -9.702 915 1HD LYS 111 2HD LYS 111 8.907 18.060 -9.615 916 2HD LYS 111 1HD LYS 111 7.351 18.174 -10.436 917 1HE LYS 111 2HE LYS 111 6.987 19.500 -8.524 918 2HE LYS 111 1HE LYS 111 6.376 17.923 -7.985 919 1HZ LYS 111 1HZ LYS 111 9.100 19.029 -7.538 920 2HZ LYS 111 2HZ LYS 111 8.656 17.428 -7.182 921 3HZ LYS 111 3HZ LYS 111 7.923 18.719 -6.356 Start of MODEL 15 1 1H MET 1 1H MET 1 20.208 -2.714 -12.924 2 2H MET 1 2H MET 1 18.724 -1.904 -13.100 3 3H MET 1 3H MET 1 18.835 -3.274 -12.103 4 HA MET 1 HA MET 1 20.171 -2.133 -10.507 5 1HB MET 1 2HB MET 1 20.964 0.145 -11.002 6 2HB MET 1 1HB MET 1 21.487 -0.968 -12.264 7 1HG MET 1 2HG MET 1 18.860 0.234 -12.804 8 2HG MET 1 1HG MET 1 20.160 1.420 -12.696 9 1HE MET 1 1HE MET 1 18.669 1.218 -15.335 10 2HE MET 1 2HE MET 1 20.016 1.211 -16.471 11 3HE MET 1 3HE MET 1 20.098 2.212 -15.023 12 H ASN 2 H ASN 2 19.350 -0.359 -9.031 13 HA ASN 2 HA ASN 2 16.612 0.628 -9.647 14 1HB ASN 2 2HB ASN 2 15.735 -0.406 -7.589 15 2HB ASN 2 1HB ASN 2 16.408 -1.642 -8.649 16 1HD2 ASN 2 1HD2 ASN 2 18.497 -2.616 -8.015 17 2HD2 ASN 2 2HD2 ASN 2 19.071 -2.474 -6.424 18 H GLU 3 H GLU 3 16.036 2.467 -8.376 19 HA GLU 3 HA GLU 3 18.017 3.436 -6.365 20 1HB GLU 3 2HB GLU 3 18.034 5.642 -7.569 21 2HB GLU 3 1HB GLU 3 18.726 4.331 -8.522 22 1HG GLU 3 2HG GLU 3 17.230 4.736 -10.154 23 2HG GLU 3 1HG GLU 3 15.916 4.376 -9.035 24 H VAL 4 H VAL 4 15.230 2.446 -6.148 25 HA VAL 4 HA VAL 4 13.733 4.933 -5.439 26 HB VAL 4 HB VAL 4 12.966 2.024 -5.847 27 1HG1 VAL 4 1HG1 VAL 4 11.582 2.935 -4.050 28 2HG1 VAL 4 2HG1 VAL 4 10.617 2.816 -5.522 29 3HG1 VAL 4 3HG1 VAL 4 11.248 4.380 -5.004 30 1HG2 VAL 4 1HG2 VAL 4 13.353 3.286 -7.910 31 2HG2 VAL 4 2HG2 VAL 4 12.313 4.590 -7.337 32 3HG2 VAL 4 3HG2 VAL 4 11.623 3.011 -7.710 33 H SER 5 H SER 5 13.890 5.536 -3.319 34 HA SER 5 HA SER 5 14.844 3.673 -1.258 35 1HB SER 5 2HB SER 5 14.569 5.772 0.146 36 2HB SER 5 1HB SER 5 15.612 5.960 -1.259 37 HG SER 5 HG SER 5 12.910 6.763 -0.936 38 H VAL 6 H VAL 6 13.510 4.024 0.975 39 HA VAL 6 HA VAL 6 10.696 3.192 0.371 40 HB VAL 6 HB VAL 6 12.614 2.693 2.664 41 1HG1 VAL 6 1HG1 VAL 6 10.744 1.201 3.520 42 2HG1 VAL 6 2HG1 VAL 6 9.674 2.027 2.388 43 3HG1 VAL 6 3HG1 VAL 6 10.455 2.932 3.685 44 1HG2 VAL 6 1HG2 VAL 6 12.275 0.323 1.953 45 2HG2 VAL 6 2HG2 VAL 6 12.984 1.314 0.677 46 3HG2 VAL 6 3HG2 VAL 6 11.272 0.895 0.620 47 H ILE 7 H ILE 7 8.992 4.333 1.291 48 HA ILE 7 HA ILE 7 9.696 6.852 2.736 49 HB ILE 7 HB ILE 7 7.594 5.921 0.835 50 1HG1 ILE 7 2HG1 ILE 7 7.938 8.168 -0.078 51 2HG1 ILE 7 1HG1 ILE 7 8.917 8.611 1.321 52 1HG2 ILE 7 1HG2 ILE 7 6.174 7.932 1.541 53 2HG2 ILE 7 2HG2 ILE 7 7.084 7.919 3.050 54 3HG2 ILE 7 3HG2 ILE 7 6.103 6.525 2.600 55 1HD1 ILE 7 1HD1 ILE 7 10.159 7.889 -0.828 56 2HD1 ILE 7 2HD1 ILE 7 9.648 6.253 -0.413 57 3HD1 ILE 7 3HD1 ILE 7 10.677 7.164 0.692 58 H LYS 8 H LYS 8 7.621 3.941 3.006 59 HA LYS 8 HA LYS 8 7.382 4.489 5.919 60 1HB LYS 8 2HB LYS 8 5.516 5.513 4.309 61 2HB LYS 8 1HB LYS 8 4.872 3.875 4.409 62 1HG LYS 8 2HG LYS 8 3.843 5.061 6.200 63 2HG LYS 8 1HG LYS 8 5.111 4.097 6.953 64 1HD LYS 8 2HD LYS 8 6.263 6.583 6.128 65 2HD LYS 8 1HD LYS 8 4.782 6.935 7.020 66 1HE LYS 8 2HE LYS 8 5.589 5.380 8.841 67 2HE LYS 8 1HE LYS 8 7.134 5.264 7.977 68 1HZ LYS 8 1HZ LYS 8 6.861 7.106 9.736 69 2HZ LYS 8 2HZ LYS 8 5.928 7.900 8.560 70 3HZ LYS 8 3HZ LYS 8 7.554 7.516 8.243 71 H GLU 9 H GLU 9 7.189 2.614 7.120 72 HA GLU 9 HA GLU 9 6.729 0.024 5.663 73 1HB GLU 9 2HB GLU 9 8.837 0.807 7.706 74 2HB GLU 9 1HB GLU 9 8.526 -0.861 7.231 75 1HG GLU 9 2HG GLU 9 9.803 -0.603 5.400 76 2HG GLU 9 1HG GLU 9 8.786 0.730 4.858 77 H GLY 10 H GLY 10 5.091 -1.154 6.668 78 1HA GLY 10 2HA GLY 10 4.827 -1.287 9.543 79 2HA GLY 10 1HA GLY 10 3.594 -0.238 8.856 80 H TRP 11 H TRP 11 2.663 -2.408 10.127 81 HA TRP 11 HA TRP 11 2.230 -4.600 8.162 82 1HB TRP 11 2HB TRP 11 1.866 -4.121 11.096 83 2HB TRP 11 1HB TRP 11 0.869 -5.357 10.332 84 HD1 TRP 11 HD TRP 11 4.504 -4.489 11.117 85 HE1 TRP 11 1HE TRP 11 5.937 -6.619 10.856 86 HE3 TRP 11 3HE TRP 11 1.022 -7.655 9.135 87 HZ2 TRP 11 2HZ TRP 11 5.638 -9.307 9.922 88 HZ3 TRP 11 3HZ TRP 11 1.624 -9.991 8.566 89 HH2 TRP 11 HH TRP 11 3.927 -10.819 8.956 90 H LEU 12 H LEU 12 0.368 -4.687 6.950 91 HA LEU 12 HA LEU 12 -1.964 -2.999 7.817 92 1HB LEU 12 2HB LEU 12 -0.882 -3.568 5.036 93 2HB LEU 12 1HB LEU 12 -2.327 -2.624 5.380 94 HG LEU 12 HG LEU 12 0.470 -1.947 6.338 95 1HD1 LEU 12 1HD1 LEU 12 -0.775 -1.543 3.815 96 2HD1 LEU 12 2HD1 LEU 12 0.751 -0.867 4.384 97 3HD1 LEU 12 3HD1 LEU 12 -0.752 0.020 4.631 98 1HD2 LEU 12 1HD2 LEU 12 -2.202 -1.023 7.078 99 2HD2 LEU 12 2HD2 LEU 12 -1.184 0.294 6.498 100 3HD2 LEU 12 3HD2 LEU 12 -0.653 -0.699 7.855 101 H HIS 13 H HIS 13 -4.036 -3.926 7.454 102 HA HIS 13 HA HIS 13 -4.068 -6.877 7.170 103 1HB HIS 13 2HB HIS 13 -5.755 -4.713 8.274 104 2HB HIS 13 1HB HIS 13 -6.661 -6.026 7.523 105 HD1 HIS 13 1HD HIS 13 -6.947 -8.112 8.893 106 HD2 HIS 13 2HD HIS 13 -3.847 -5.720 10.330 107 HE1 HIS 13 1HE HIS 13 -6.142 -9.192 11.038 108 H LYS 14 H LYS 14 -4.552 -7.841 5.238 109 HA LYS 14 HA LYS 14 -5.938 -6.200 3.135 110 1HB LYS 14 2HB LYS 14 -3.378 -7.189 3.142 111 2HB LYS 14 1HB LYS 14 -4.248 -8.492 2.334 112 1HG LYS 14 2HG LYS 14 -4.601 -5.599 1.528 113 2HG LYS 14 1HG LYS 14 -3.335 -6.613 0.834 114 1HD LYS 14 2HD LYS 14 -6.060 -7.794 0.874 115 2HD LYS 14 1HD LYS 14 -5.829 -6.429 -0.216 116 1HE LYS 14 2HE LYS 14 -4.802 -7.804 -1.691 117 2HE LYS 14 1HE LYS 14 -3.552 -8.152 -0.482 118 1HZ LYS 14 1HZ LYS 14 -4.809 -9.902 0.415 119 2HZ LYS 14 2HZ LYS 14 -4.945 -10.110 -1.267 120 3HZ LYS 14 3HZ LYS 14 -6.231 -9.428 -0.387 121 H ARG 15 H ARG 15 -7.766 -7.117 2.244 122 HA ARG 15 HA ARG 15 -9.012 -9.427 3.419 123 1HB ARG 15 2HB ARG 15 -10.221 -7.567 2.359 124 2HB ARG 15 1HB ARG 15 -9.491 -7.957 0.802 125 1HG ARG 15 2HG ARG 15 -10.820 -10.250 2.077 126 2HG ARG 15 1HG ARG 15 -11.916 -8.920 1.702 127 1HD ARG 15 2HD ARG 15 -10.213 -9.186 -0.553 128 2HD ARG 15 1HD ARG 15 -10.735 -10.826 -0.119 129 HE ARG 15 HE ARG 15 -13.065 -9.408 0.116 130 1HH1 ARG 15 1HH2 ARG 15 -10.652 -9.598 -2.384 131 2HH1 ARG 15 2HH2 ARG 15 -11.775 -9.265 -3.654 132 1HH2 ARG 15 1HH1 ARG 15 -14.515 -8.974 -1.549 133 2HH2 ARG 15 2HH1 ARG 15 -13.952 -8.906 -3.185 134 H GLY 16 H GLY 16 -8.509 -11.547 3.038 135 1HA GLY 16 2HA GLY 16 -7.872 -12.455 0.312 136 2HA GLY 16 1HA GLY 16 -6.558 -12.639 1.476 137 H GLU 17 H GLU 17 -10.053 -13.361 1.170 138 HA GLU 17 HA GLU 17 -9.613 -16.149 1.973 139 1HB GLU 17 2HB GLU 17 -9.703 -14.398 4.010 140 2HB GLU 17 1HB GLU 17 -11.436 -14.620 3.780 141 1HG GLU 17 2HG GLU 17 -10.409 -17.210 3.642 142 2HG GLU 17 1HG GLU 17 -9.478 -16.451 4.933 143 H TYR 18 H TYR 18 -11.807 -17.312 2.067 144 HA TYR 18 HA TYR 18 -13.416 -16.588 -0.211 145 1HB TYR 18 2HB TYR 18 -14.772 -18.519 0.477 146 2HB TYR 18 1HB TYR 18 -13.059 -18.898 0.604 147 HD1 TYR 18 1HD TYR 18 -12.079 -19.497 2.694 148 HD2 TYR 18 2HD TYR 18 -16.066 -17.902 2.568 149 HE1 TYR 18 1HE TYR 18 -12.401 -20.112 5.073 150 HE2 TYR 18 2HE TYR 18 -16.384 -18.512 4.949 151 HH TYR 18 HH TYR 18 -15.210 -20.432 6.523 152 H ILE 19 H ILE 19 -13.614 -15.715 3.180 153 HA ILE 19 HA ILE 19 -16.304 -14.486 2.679 154 HB ILE 19 HB ILE 19 -15.694 -16.299 4.540 155 1HG1 ILE 19 2HG1 ILE 19 -17.282 -14.311 5.903 156 2HG1 ILE 19 1HG1 ILE 19 -17.705 -14.337 4.191 157 1HG2 ILE 19 1HG2 ILE 19 -15.284 -13.837 6.197 158 2HG2 ILE 19 2HG2 ILE 19 -13.897 -14.546 5.372 159 3HG2 ILE 19 3HG2 ILE 19 -14.815 -15.503 6.533 160 1HD1 ILE 19 1HD1 ILE 19 -17.455 -16.877 5.807 161 2HD1 ILE 19 2HD1 ILE 19 -18.251 -16.648 4.250 162 3HD1 ILE 19 3HD1 ILE 19 -18.968 -15.977 5.715 163 H LYS 20 H LYS 20 -16.346 -12.532 4.611 164 HA LYS 20 HA LYS 20 -14.506 -10.528 3.532 165 1HB LYS 20 2HB LYS 20 -16.754 -10.625 5.543 166 2HB LYS 20 1HB LYS 20 -15.776 -9.168 5.367 167 1HG LYS 20 2HG LYS 20 -16.463 -8.822 3.143 168 2HG LYS 20 1HG LYS 20 -16.997 -10.492 2.951 169 1HD LYS 20 2HD LYS 20 -18.878 -10.129 4.431 170 2HD LYS 20 1HD LYS 20 -18.297 -8.515 4.844 171 1HE LYS 20 2HE LYS 20 -18.585 -7.818 2.467 172 2HE LYS 20 1HE LYS 20 -19.245 -9.425 2.100 173 1HZ LYS 20 1HZ LYS 20 -21.050 -7.946 2.626 174 2HZ LYS 20 2HZ LYS 20 -20.311 -7.479 4.082 175 3HZ LYS 20 3HZ LYS 20 -20.887 -9.067 3.888 176 H THR 21 H THR 21 -12.596 -11.972 4.417 177 HA THR 21 HA THR 21 -11.989 -11.169 7.248 178 HB THR 21 HB THR 21 -11.117 -13.550 5.588 179 HG1 THR 21 1HG THR 21 -12.688 -13.319 7.938 180 1HG2 THR 21 1HG2 THR 21 -10.190 -14.261 7.913 181 2HG2 THR 21 2HG2 THR 21 -10.236 -12.536 8.280 182 3HG2 THR 21 3HG2 THR 21 -9.248 -13.128 6.943 183 H TRP 22 H TRP 22 -9.932 -10.305 7.663 184 HA TRP 22 HA TRP 22 -8.283 -9.592 5.255 185 1HB TRP 22 2HB TRP 22 -8.872 -8.045 7.807 186 2HB TRP 22 1HB TRP 22 -7.795 -7.493 6.526 187 HD1 TRP 22 HD TRP 22 -11.485 -8.595 6.935 188 HE1 TRP 22 1HE TRP 22 -12.915 -7.237 5.282 189 HE3 TRP 22 3HE TRP 22 -7.822 -5.929 4.575 190 HZ2 TRP 22 2HZ TRP 22 -12.563 -5.275 3.237 191 HZ3 TRP 22 3HZ TRP 22 -8.398 -4.322 2.782 192 HH2 TRP 22 HH TRP 22 -10.764 -3.992 2.110 193 H ARG 23 H ARG 23 -6.193 -10.333 5.363 194 HA ARG 23 HA ARG 23 -5.204 -11.404 7.969 195 1HB ARG 23 2HB ARG 23 -4.232 -11.762 5.111 196 2HB ARG 23 1HB ARG 23 -3.636 -12.645 6.516 197 1HG ARG 23 2HG ARG 23 -6.435 -12.939 6.592 198 2HG ARG 23 1HG ARG 23 -5.990 -13.164 4.900 199 1HD ARG 23 2HD ARG 23 -4.891 -15.127 5.325 200 2HD ARG 23 1HD ARG 23 -4.219 -14.527 6.855 201 HE ARG 23 HE ARG 23 -7.127 -14.928 6.901 202 1HH1 ARG 23 1HH2 ARG 23 -3.990 -16.354 7.396 203 2HH1 ARG 23 2HH2 ARG 23 -4.570 -17.523 8.530 204 1HH2 ARG 23 1HH1 ARG 23 -7.870 -16.460 8.376 205 2HH2 ARG 23 2HH1 ARG 23 -6.760 -17.586 9.083 206 HA PRO 24 HA PRO 24 -2.518 -7.898 8.263 207 1HB PRO 24 2HB PRO 24 -0.779 -8.890 10.131 208 2HB PRO 24 1HB PRO 24 -2.414 -8.328 10.530 209 1HG PRO 24 2HG PRO 24 -1.411 -11.104 10.138 210 2HG PRO 24 1HG PRO 24 -2.564 -10.479 11.328 211 1HD PRO 24 2HD PRO 24 -3.318 -11.828 9.091 212 2HD PRO 24 1HD PRO 24 -4.331 -10.593 9.873 213 H ARG 25 H ARG 25 -0.870 -7.331 6.911 214 HA ARG 25 HA ARG 25 1.284 -9.322 6.297 215 1HB ARG 25 2HB ARG 25 -0.669 -7.927 4.504 216 2HB ARG 25 1HB ARG 25 0.973 -8.158 3.903 217 1HG ARG 25 2HG ARG 25 0.202 -10.201 3.255 218 2HG ARG 25 1HG ARG 25 0.455 -10.631 4.946 219 1HD ARG 25 2HD ARG 25 -1.813 -10.529 5.456 220 2HD ARG 25 1HD ARG 25 -2.154 -9.351 4.176 221 HE ARG 25 HE ARG 25 -2.029 -12.259 3.840 222 1HH1 ARG 25 1HH2 ARG 25 -1.733 -9.142 2.315 223 2HH1 ARG 25 2HH2 ARG 25 -2.028 -9.759 0.728 224 1HH2 ARG 25 1HH1 ARG 25 -2.436 -13.046 1.767 225 2HH2 ARG 25 2HH1 ARG 25 -2.427 -11.963 0.417 226 H TYR 26 H TYR 26 3.324 -8.355 6.054 227 HA TYR 26 HA TYR 26 3.673 -5.659 7.086 228 1HB TYR 26 2HB TYR 26 5.222 -7.581 7.441 229 2HB TYR 26 1HB TYR 26 5.593 -7.578 5.717 230 HD1 TYR 26 1HD TYR 26 5.209 -4.856 8.281 231 HD2 TYR 26 2HD TYR 26 7.725 -6.722 5.341 232 HE1 TYR 26 1HE TYR 26 6.931 -3.113 8.648 233 HE2 TYR 26 2HE TYR 26 9.445 -4.978 5.708 234 HH TYR 26 HH TYR 26 9.815 -3.242 8.131 235 H PHE 27 H PHE 27 2.929 -4.021 5.728 236 HA PHE 27 HA PHE 27 3.445 -4.192 2.816 237 1HB PHE 27 2HB PHE 27 1.613 -2.822 4.660 238 2HB PHE 27 1HB PHE 27 2.173 -1.801 3.336 239 HD1 PHE 27 1HD PHE 27 1.696 -2.377 1.000 240 HD2 PHE 27 2HD PHE 27 0.285 -4.832 4.231 241 HE1 PHE 27 1HE PHE 27 0.155 -3.537 -0.556 242 HE2 PHE 27 2HE PHE 27 -1.258 -5.992 2.674 243 HZ PHE 27 HZ PHE 27 -1.322 -5.344 0.282 244 H LEU 28 H LEU 28 4.732 -2.711 1.701 245 HA LEU 28 HA LEU 28 6.445 -0.880 3.357 246 1HB LEU 28 2HB LEU 28 7.086 -3.261 1.980 247 2HB LEU 28 1HB LEU 28 7.710 -1.959 0.971 248 HG LEU 28 HG LEU 28 9.355 -2.769 2.674 249 1HD1 LEU 28 1HD1 LEU 28 8.412 0.075 3.126 250 2HD1 LEU 28 2HD1 LEU 28 9.385 -0.448 1.752 251 3HD1 LEU 28 3HD1 LEU 28 10.041 -0.549 3.385 252 1HD2 LEU 28 1HD2 LEU 28 7.433 -3.122 4.393 253 2HD2 LEU 28 2HD2 LEU 28 7.630 -1.404 4.739 254 3HD2 LEU 28 3HD2 LEU 28 8.978 -2.513 4.988 255 H LEU 29 H LEU 29 6.263 1.214 2.638 256 HA LEU 29 HA LEU 29 5.198 1.733 -0.103 257 1HB LEU 29 2HB LEU 29 4.172 2.743 1.961 258 2HB LEU 29 1HB LEU 29 5.691 3.591 2.252 259 HG LEU 29 HG LEU 29 5.481 4.739 0.082 260 1HD1 LEU 29 1HD1 LEU 29 3.288 4.526 -1.144 261 2HD1 LEU 29 2HD1 LEU 29 2.902 3.155 -0.105 262 3HD1 LEU 29 3HD1 LEU 29 4.281 3.069 -1.200 263 1HD2 LEU 29 1HD2 LEU 29 3.860 5.121 2.371 264 2HD2 LEU 29 2HD2 LEU 29 2.813 5.388 0.978 265 3HD2 LEU 29 3HD2 LEU 29 4.297 6.325 1.158 266 H LYS 30 H LYS 30 6.555 2.557 -1.690 267 HA LYS 30 HA LYS 30 9.352 3.249 -0.858 268 1HB LYS 30 2HB LYS 30 8.123 2.091 -3.370 269 2HB LYS 30 1HB LYS 30 9.810 2.596 -3.274 270 1HG LYS 30 2HG LYS 30 8.996 0.903 -1.021 271 2HG LYS 30 1HG LYS 30 8.849 0.092 -2.580 272 1HD LYS 30 2HD LYS 30 11.339 1.644 -1.892 273 2HD LYS 30 1HD LYS 30 11.137 -0.019 -1.341 274 1HE LYS 30 2HE LYS 30 10.443 0.295 -4.173 275 2HE LYS 30 1HE LYS 30 12.129 0.728 -3.829 276 1HZ LYS 30 1HZ LYS 30 10.772 -1.753 -2.900 277 2HZ LYS 30 2HZ LYS 30 12.394 -1.328 -2.607 278 3HZ LYS 30 3HZ LYS 30 11.872 -1.667 -4.187 279 H SER 31 H SER 31 10.452 4.755 -2.483 280 HA SER 31 HA SER 31 9.070 7.298 -2.589 281 1HB SER 31 2HB SER 31 11.683 6.270 -2.744 282 2HB SER 31 1HB SER 31 11.415 7.053 -4.298 283 HG SER 31 HG SER 31 12.206 8.383 -2.465 284 H ASP 32 H ASP 32 9.137 4.609 -4.761 285 HA ASP 32 HA ASP 32 8.697 6.151 -7.220 286 1HB ASP 32 2HB ASP 32 9.862 4.008 -7.233 287 2HB ASP 32 1HB ASP 32 8.491 3.217 -6.462 288 H GLY 33 H GLY 33 6.741 5.307 -4.566 289 1HA GLY 33 2HA GLY 33 4.436 5.835 -4.313 290 2HA GLY 33 1HA GLY 33 4.306 6.017 -6.065 291 H SER 34 H SER 34 5.736 3.241 -4.402 292 HA SER 34 HA SER 34 3.444 1.563 -5.372 293 1HB SER 34 2HB SER 34 5.162 1.027 -6.853 294 2HB SER 34 1HB SER 34 6.422 1.348 -5.667 295 HG SER 34 HG SER 34 4.667 -0.881 -5.818 296 H PHE 35 H PHE 35 2.752 -0.020 -3.937 297 HA PHE 35 HA PHE 35 4.023 -0.020 -1.220 298 1HB PHE 35 2HB PHE 35 1.393 0.423 -2.163 299 2HB PHE 35 1HB PHE 35 1.361 -1.168 -1.406 300 HD1 PHE 35 1HD PHE 35 0.430 1.921 -0.653 301 HD2 PHE 35 2HD PHE 35 3.309 -0.935 0.768 302 HE1 PHE 35 1HE PHE 35 0.383 2.987 1.583 303 HE2 PHE 35 2HE PHE 35 3.262 0.135 3.004 304 HZ PHE 35 HZ PHE 35 1.797 2.092 3.410 305 H ILE 36 H ILE 36 5.014 -1.938 -0.651 306 HA ILE 36 HA ILE 36 4.419 -4.373 -2.293 307 HB ILE 36 HB ILE 36 6.704 -3.574 -0.450 308 1HG1 ILE 36 2HG1 ILE 36 6.743 -2.387 -2.583 309 2HG1 ILE 36 1HG1 ILE 36 8.007 -3.615 -2.589 310 1HG2 ILE 36 1HG2 ILE 36 6.147 -6.130 -1.963 311 2HG2 ILE 36 2HG2 ILE 36 6.550 -5.937 -0.257 312 3HG2 ILE 36 3HG2 ILE 36 7.781 -5.663 -1.489 313 1HD1 ILE 36 1HD1 ILE 36 5.456 -3.513 -4.139 314 2HD1 ILE 36 2HD1 ILE 36 6.043 -5.098 -3.636 315 3HD1 ILE 36 3HD1 ILE 36 7.054 -4.061 -4.643 316 H GLY 37 H GLY 37 3.087 -5.860 -1.340 317 1HA GLY 37 2HA GLY 37 2.691 -5.745 1.608 318 2HA GLY 37 1HA GLY 37 1.617 -6.546 0.463 319 H TYR 38 H TYR 38 4.023 -7.070 2.737 320 HA TYR 38 HA TYR 38 5.011 -9.592 1.493 321 1HB TYR 38 2HB TYR 38 5.895 -7.619 3.477 322 2HB TYR 38 1HB TYR 38 6.131 -9.275 4.026 323 HD1 TYR 38 1HD TYR 38 6.880 -10.844 1.807 324 HD2 TYR 38 2HD TYR 38 7.820 -6.715 2.543 325 HE1 TYR 38 1HE TYR 38 8.897 -11.045 0.381 326 HE2 TYR 38 2HE TYR 38 9.834 -6.918 1.110 327 HH TYR 38 HH TYR 38 10.325 -9.256 -1.051 328 H LYS 39 H LYS 39 4.192 -11.557 2.129 329 HA LYS 39 HA LYS 39 1.894 -11.861 3.786 330 1HB LYS 39 2HB LYS 39 2.784 -13.435 2.040 331 2HB LYS 39 1HB LYS 39 4.086 -13.869 3.148 332 1HG LYS 39 2HG LYS 39 2.125 -14.367 4.824 333 2HG LYS 39 1HG LYS 39 1.147 -14.463 3.360 334 1HD LYS 39 2HD LYS 39 1.883 -16.684 3.693 335 2HD LYS 39 1HD LYS 39 2.985 -16.052 2.470 336 1HE LYS 39 2HE LYS 39 4.213 -15.340 4.875 337 2HE LYS 39 1HE LYS 39 3.582 -16.969 5.183 338 1HZ LYS 39 1HZ LYS 39 5.128 -16.176 2.768 339 2HZ LYS 39 2HZ LYS 39 4.571 -17.738 3.137 340 3HZ LYS 39 3HZ LYS 39 5.773 -17.013 4.093 341 H GLU 40 H GLU 40 5.361 -12.182 4.513 342 HA GLU 40 HA GLU 40 4.757 -11.926 7.427 343 1HB GLU 40 2HB GLU 40 5.029 -14.330 6.809 344 2HB GLU 40 1HB GLU 40 6.617 -13.959 6.136 345 1HG GLU 40 2HG GLU 40 6.898 -14.831 8.397 346 2HG GLU 40 1HG GLU 40 7.325 -13.120 8.384 347 H ARG 41 H ARG 41 6.216 -10.518 8.404 348 HA ARG 41 HA ARG 41 7.854 -8.758 6.965 349 1HB ARG 41 2HB ARG 41 8.887 -8.307 9.223 350 2HB ARG 41 1HB ARG 41 7.126 -8.318 9.227 351 1HG ARG 41 2HG ARG 41 7.235 -10.737 9.973 352 2HG ARG 41 1HG ARG 41 8.975 -10.528 10.168 353 1HD ARG 41 2HD ARG 41 8.162 -8.376 11.559 354 2HD ARG 41 1HD ARG 41 6.747 -9.418 11.810 355 HE ARG 41 HE ARG 41 8.742 -11.182 12.286 356 1HH1 ARG 41 1HH2 ARG 41 8.310 -7.892 13.332 357 2HH1 ARG 41 2HH2 ARG 41 9.203 -8.115 14.795 358 1HH2 ARG 41 1HH1 ARG 41 9.898 -11.462 14.200 359 2HH2 ARG 41 2HH1 ARG 41 10.100 -10.130 15.288 360 HA PRO 42 HA PRO 42 11.218 -11.675 6.231 361 1HB PRO 42 2HB PRO 42 11.873 -10.691 3.772 362 2HB PRO 42 1HB PRO 42 10.531 -11.820 4.031 363 1HG PRO 42 2HG PRO 42 10.465 -8.977 3.371 364 2HG PRO 42 1HG PRO 42 9.204 -10.202 3.215 365 1HD PRO 42 2HD PRO 42 9.514 -8.213 5.267 366 2HD PRO 42 1HD PRO 42 8.207 -9.398 5.064 367 H GLU 43 H GLU 43 13.571 -11.312 6.008 368 HA GLU 43 HA GLU 43 14.490 -8.492 6.167 369 1HB GLU 43 2HB GLU 43 14.214 -10.375 8.375 370 2HB GLU 43 1HB GLU 43 15.885 -9.840 8.202 371 1HG GLU 43 2HG GLU 43 15.063 -7.471 8.149 372 2HG GLU 43 1HG GLU 43 13.441 -8.072 8.492 373 H ALA 44 H ALA 44 15.666 -11.875 6.536 374 HA ALA 44 HA ALA 44 17.428 -13.017 5.460 375 1HB ALA 44 1HB ALA 44 17.292 -12.669 3.225 376 2HB ALA 44 2HB ALA 44 17.920 -11.030 3.381 377 3HB ALA 44 3HB ALA 44 16.196 -11.335 3.581 378 HA PRO 45 HA PRO 45 21.203 -11.176 6.769 379 1HB PRO 45 2HB PRO 45 23.031 -12.024 4.907 380 2HB PRO 45 1HB PRO 45 22.331 -13.097 6.137 381 1HG PRO 45 2HG PRO 45 21.612 -12.791 3.263 382 2HG PRO 45 1HG PRO 45 21.710 -14.256 4.253 383 1HD PRO 45 2HD PRO 45 19.359 -13.041 3.622 384 2HD PRO 45 1HD PRO 45 19.604 -13.975 5.115 385 H ASP 46 H ASP 46 20.681 -10.809 3.248 386 HA ASP 46 HA ASP 46 21.769 -8.019 3.450 387 1HB ASP 46 2HB ASP 46 23.228 -9.453 2.148 388 2HB ASP 46 1HB ASP 46 21.864 -10.098 1.236 389 H GLN 47 H GLN 47 19.988 -9.629 0.813 390 HA GLN 47 HA GLN 47 17.441 -8.357 1.416 391 1HB GLN 47 2HB GLN 47 19.240 -6.602 0.520 392 2HB GLN 47 1HB GLN 47 18.751 -7.258 -1.044 393 1HG GLN 47 2HG GLN 47 17.058 -5.749 -0.917 394 2HG GLN 47 1HG GLN 47 16.323 -6.909 0.189 395 1HE2 GLN 47 1HE2 GLN 47 16.279 -6.381 2.456 396 2HE2 GLN 47 2HE2 GLN 47 16.792 -4.876 3.050 397 H THR 48 H THR 48 18.062 -11.016 0.818 398 HA THR 48 HA THR 48 17.282 -11.414 -2.039 399 HB THR 48 HB THR 48 19.297 -12.535 -1.111 400 HG1 THR 48 1HG THR 48 17.178 -14.344 -1.641 401 1HG2 THR 48 1HG2 THR 48 18.215 -14.602 0.441 402 2HG2 THR 48 2HG2 THR 48 17.448 -13.134 1.043 403 3HG2 THR 48 3HG2 THR 48 19.206 -13.262 1.015 404 H LEU 49 H LEU 49 15.181 -10.441 -0.799 405 HA LEU 49 HA LEU 49 13.494 -12.738 0.130 406 1HB LEU 49 2HB LEU 49 13.129 -9.740 0.461 407 2HB LEU 49 1HB LEU 49 12.163 -10.995 1.234 408 HG LEU 49 HG LEU 49 15.150 -10.946 1.617 409 1HD1 LEU 49 1HD1 LEU 49 13.522 -9.662 3.717 410 2HD1 LEU 49 2HD1 LEU 49 13.651 -8.735 2.223 411 3HD1 LEU 49 3HD1 LEU 49 15.108 -9.216 3.091 412 1HD2 LEU 49 1HD2 LEU 49 12.769 -12.255 2.806 413 2HD2 LEU 49 2HD2 LEU 49 13.991 -11.718 3.960 414 3HD2 LEU 49 3HD2 LEU 49 14.427 -12.840 2.672 415 HA PRO 50 HA PRO 50 11.500 -12.181 -3.840 416 1HB PRO 50 2HB PRO 50 9.609 -14.134 -3.508 417 2HB PRO 50 1HB PRO 50 11.297 -14.483 -3.933 418 1HG PRO 50 2HG PRO 50 9.931 -14.672 -1.298 419 2HG PRO 50 1HG PRO 50 11.161 -15.728 -2.011 420 1HD PRO 50 2HD PRO 50 11.696 -13.845 -0.104 421 2HD PRO 50 1HD PRO 50 12.888 -14.414 -1.293 422 HA PRO 51 HA PRO 51 8.233 -9.507 -2.436 423 1HB PRO 51 2HB PRO 51 7.194 -8.876 -4.892 424 2HB PRO 51 1HB PRO 51 8.700 -8.176 -4.266 425 1HG PRO 51 2HG PRO 51 8.310 -10.400 -6.209 426 2HG PRO 51 1HG PRO 51 9.506 -9.094 -6.213 427 1HD PRO 51 2HD PRO 51 10.078 -11.629 -5.417 428 2HD PRO 51 1HD PRO 51 10.912 -10.195 -4.776 429 H LEU 52 H LEU 52 6.314 -10.199 -1.599 430 HA LEU 52 HA LEU 52 4.948 -12.559 -2.715 431 1HB LEU 52 2HB LEU 52 4.982 -10.935 -0.233 432 2HB LEU 52 1HB LEU 52 3.421 -11.648 -0.631 433 HG LEU 52 HG LEU 52 4.701 -13.186 0.782 434 1HD1 LEU 52 1HD1 LEU 52 3.384 -13.872 -1.472 435 2HD1 LEU 52 2HD1 LEU 52 4.141 -15.060 -0.412 436 3HD1 LEU 52 3HD1 LEU 52 4.978 -14.514 -1.864 437 1HD2 LEU 52 1HD2 LEU 52 6.941 -12.229 -0.138 438 2HD2 LEU 52 2HD2 LEU 52 6.752 -13.429 -1.415 439 3HD2 LEU 52 3HD2 LEU 52 6.872 -13.944 0.266 440 H ASN 53 H ASN 53 3.829 -9.258 -1.801 441 HA ASN 53 HA ASN 53 1.902 -9.394 -4.104 442 1HB ASN 53 2HB ASN 53 1.504 -8.283 -1.303 443 2HB ASN 53 1HB ASN 53 0.312 -8.204 -2.597 444 1HD2 ASN 53 1HD2 ASN 53 0.435 -10.782 -3.701 445 2HD2 ASN 53 2HD2 ASN 53 0.018 -11.930 -2.522 446 H ASN 54 H ASN 54 1.800 -7.524 -5.357 447 HA ASN 54 HA ASN 54 3.518 -5.217 -4.484 448 1HB ASN 54 2HB ASN 54 4.058 -6.815 -6.514 449 2HB ASN 54 1HB ASN 54 2.833 -5.854 -7.343 450 1HD2 ASN 54 1HD2 ASN 54 6.135 -5.974 -6.738 451 2HD2 ASN 54 2HD2 ASN 54 6.506 -4.335 -6.977 452 H PHE 55 H PHE 55 2.612 -3.176 -4.584 453 HA PHE 55 HA PHE 55 -0.173 -2.921 -5.681 454 1HB PHE 55 2HB PHE 55 0.457 -3.011 -3.066 455 2HB PHE 55 1HB PHE 55 0.751 -1.298 -3.351 456 HD1 PHE 55 1HD PHE 55 -1.052 0.230 -3.816 457 HD2 PHE 55 2HD PHE 55 -1.791 -3.987 -3.477 458 HE1 PHE 55 1HE PHE 55 -3.489 0.666 -3.721 459 HE2 PHE 55 2HE PHE 55 -4.231 -3.552 -3.386 460 HZ PHE 55 HZ PHE 55 -5.079 -1.226 -3.505 461 H SER 56 H SER 56 -0.645 -0.865 -6.643 462 HA SER 56 HA SER 56 1.732 0.924 -7.085 463 1HB SER 56 2HB SER 56 1.099 -0.442 -9.046 464 2HB SER 56 1HB SER 56 -0.552 0.161 -8.942 465 HG SER 56 HG SER 56 0.067 2.006 -9.786 466 H VAL 57 H VAL 57 1.394 2.953 -6.282 467 HA VAL 57 HA VAL 57 -1.412 4.023 -6.227 468 HB VAL 57 HB VAL 57 -0.565 3.161 -4.016 469 1HG1 VAL 57 1HG1 VAL 57 1.580 5.174 -4.617 470 2HG1 VAL 57 2HG1 VAL 57 1.726 3.562 -3.919 471 3HG1 VAL 57 3HG1 VAL 57 1.110 4.892 -2.942 472 1HG2 VAL 57 1HG2 VAL 57 -2.154 5.207 -4.419 473 2HG2 VAL 57 2HG2 VAL 57 -0.786 6.155 -3.836 474 3HG2 VAL 57 3HG2 VAL 57 -1.511 4.922 -2.803 475 H ALA 58 H ALA 58 1.118 4.421 -7.994 476 HA ALA 58 HA ALA 58 1.686 7.302 -7.524 477 1HB ALA 58 1HB ALA 58 2.779 5.399 -9.613 478 2HB ALA 58 2HB ALA 58 3.440 5.527 -7.983 479 3HB ALA 58 3HB ALA 58 3.497 6.915 -9.069 480 H GLU 59 H GLU 59 -0.132 5.206 -9.683 481 HA GLU 59 HA GLU 59 -0.885 7.611 -11.312 482 1HB GLU 59 2HB GLU 59 -1.273 5.739 -13.109 483 2HB GLU 59 1HB GLU 59 0.368 6.282 -12.783 484 1HG GLU 59 2HG GLU 59 0.288 3.829 -12.875 485 2HG GLU 59 1HG GLU 59 0.687 4.356 -11.244 486 H CYS 60 H CYS 60 -2.195 6.307 -8.867 487 HA CYS 60 HA CYS 60 -4.882 5.920 -10.130 488 1HB CYS 60 2HB CYS 60 -3.235 4.088 -8.521 489 2HB CYS 60 1HB CYS 60 -4.878 4.268 -7.910 490 H GLN 61 H GLN 61 -6.670 6.298 -8.550 491 HA GLN 61 HA GLN 61 -5.983 8.517 -6.693 492 1HB GLN 61 2HB GLN 61 -7.799 8.548 -8.504 493 2HB GLN 61 1HB GLN 61 -8.699 7.428 -7.483 494 1HG GLN 61 2HG GLN 61 -7.674 9.759 -6.018 495 2HG GLN 61 1HG GLN 61 -8.808 10.184 -7.299 496 1HE2 GLN 61 1HE2 GLN 61 -8.605 9.025 -4.081 497 2HE2 GLN 61 2HE2 GLN 61 -10.217 8.522 -3.918 498 H LEU 62 H LEU 62 -6.086 8.261 -4.467 499 HA LEU 62 HA LEU 62 -7.287 5.718 -3.414 500 1HB LEU 62 2HB LEU 62 -5.426 5.607 -1.861 501 2HB LEU 62 1HB LEU 62 -4.768 5.823 -3.482 502 HG LEU 62 HG LEU 62 -5.223 8.429 -2.483 503 1HD1 LEU 62 1HD1 LEU 62 -5.371 7.471 -0.222 504 2HD1 LEU 62 2HD1 LEU 62 -3.884 8.403 -0.398 505 3HD1 LEU 62 3HD1 LEU 62 -3.833 6.642 -0.462 506 1HD2 LEU 62 1HD2 LEU 62 -2.940 8.699 -2.940 507 2HD2 LEU 62 2HD2 LEU 62 -3.357 7.314 -3.950 508 3HD2 LEU 62 3HD2 LEU 62 -2.540 7.066 -2.406 509 H MET 63 H MET 63 -8.222 5.879 -1.273 510 HA MET 63 HA MET 63 -8.492 8.557 -0.040 511 1HB MET 63 2HB MET 63 -10.924 8.570 -0.300 512 2HB MET 63 1HB MET 63 -10.178 8.403 -1.888 513 1HG MET 63 2HG MET 63 -10.418 5.785 -1.223 514 2HG MET 63 1HG MET 63 -11.794 6.447 -0.339 515 1HE MET 63 1HE MET 63 -12.108 4.336 -2.945 516 2HE MET 63 2HE MET 63 -13.680 5.055 -3.281 517 3HE MET 63 3HE MET 63 -13.137 4.883 -1.614 518 H LYS 64 H LYS 64 -9.216 8.420 2.150 519 HA LYS 64 HA LYS 64 -8.930 5.763 3.398 520 1HB LYS 64 2HB LYS 64 -7.901 7.860 4.284 521 2HB LYS 64 1HB LYS 64 -9.516 8.514 4.549 522 1HG LYS 64 2HG LYS 64 -9.141 5.842 5.712 523 2HG LYS 64 1HG LYS 64 -8.065 7.059 6.399 524 1HD LYS 64 2HD LYS 64 -11.054 7.463 6.096 525 2HD LYS 64 1HD LYS 64 -10.303 6.845 7.567 526 1HE LYS 64 2HE LYS 64 -9.961 8.995 8.204 527 2HE LYS 64 1HE LYS 64 -8.814 9.151 6.859 528 1HZ LYS 64 1HZ LYS 64 -10.991 9.371 5.465 529 2HZ LYS 64 2HZ LYS 64 -10.383 10.721 6.297 530 3HZ LYS 64 3HZ LYS 64 -11.678 9.834 6.946 531 H THR 65 H THR 65 -10.662 4.525 4.100 532 HA THR 65 HA THR 65 -13.396 5.765 3.963 533 HB THR 65 HB THR 65 -12.930 4.187 2.141 534 HG1 THR 65 1HG THR 65 -14.613 2.676 2.643 535 1HG2 THR 65 1HG2 THR 65 -11.253 2.744 2.840 536 2HG2 THR 65 2HG2 THR 65 -12.667 1.701 2.986 537 3HG2 THR 65 3HG2 THR 65 -11.994 2.479 4.418 538 H GLU 66 H GLU 66 -15.019 4.603 5.346 539 HA GLU 66 HA GLU 66 -13.837 3.921 8.002 540 1HB GLU 66 2HB GLU 66 -15.583 5.785 7.473 541 2HB GLU 66 1HB GLU 66 -16.737 4.453 7.371 542 1HG GLU 66 2HG GLU 66 -16.719 4.103 9.615 543 2HG GLU 66 1HG GLU 66 -14.977 4.351 9.735 544 H ARG 67 H ARG 67 -15.505 2.493 5.307 545 HA ARG 67 HA ARG 67 -16.091 0.052 6.941 546 1HB ARG 67 2HB ARG 67 -18.004 -0.279 5.587 547 2HB ARG 67 1HB ARG 67 -17.966 1.466 5.828 548 1HG ARG 67 2HG ARG 67 -16.867 1.758 3.646 549 2HG ARG 67 1HG ARG 67 -16.854 0.011 3.407 550 1HD ARG 67 2HD ARG 67 -19.014 0.001 2.714 551 2HD ARG 67 1HD ARG 67 -19.529 1.016 4.074 552 HE ARG 67 HE ARG 67 -18.669 1.978 1.428 553 1HH1 ARG 67 1HH2 ARG 67 -19.209 2.712 4.788 554 2HH1 ARG 67 2HH2 ARG 67 -19.374 4.411 4.512 555 1HH2 ARG 67 1HH1 ARG 67 -18.889 4.197 1.085 556 2HH2 ARG 67 2HH1 ARG 67 -19.191 5.249 2.425 557 HA PRO 68 HA PRO 68 -16.965 -1.980 6.121 558 1HB PRO 68 2HB PRO 68 -15.735 -4.323 6.844 559 2HB PRO 68 1HB PRO 68 -16.550 -4.091 5.285 560 1HG PRO 68 2HG PRO 68 -13.649 -3.969 5.938 561 2HG PRO 68 1HG PRO 68 -14.458 -4.666 4.527 562 1HD PRO 68 2HD PRO 68 -13.225 -2.252 4.471 563 2HD PRO 68 1HD PRO 68 -14.633 -2.644 3.457 564 H ARG 69 H ARG 69 -13.540 -1.914 7.109 565 HA ARG 69 HA ARG 69 -14.386 -1.618 9.968 566 1HB ARG 69 2HB ARG 69 -11.994 -2.651 8.494 567 2HB ARG 69 1HB ARG 69 -11.720 -1.933 10.079 568 1HG ARG 69 2HG ARG 69 -12.697 -3.671 11.171 569 2HG ARG 69 1HG ARG 69 -13.993 -3.812 9.983 570 1HD ARG 69 2HD ARG 69 -12.930 -5.516 8.936 571 2HD ARG 69 1HD ARG 69 -11.438 -4.573 8.809 572 HE ARG 69 HE ARG 69 -12.140 -6.418 11.010 573 1HH1 ARG 69 1HH2 ARG 69 -10.090 -3.832 9.891 574 2HH1 ARG 69 2HH2 ARG 69 -8.769 -4.277 10.911 575 1HH2 ARG 69 1HH1 ARG 69 -10.414 -6.969 12.349 576 2HH2 ARG 69 2HH1 ARG 69 -8.956 -6.035 12.307 577 HA PRO 70 HA PRO 70 -13.297 2.647 9.863 578 1HB PRO 70 2HB PRO 70 -12.285 3.002 12.390 579 2HB PRO 70 1HB PRO 70 -14.019 2.812 12.052 580 1HG PRO 70 2HG PRO 70 -12.044 0.783 12.999 581 2HG PRO 70 1HG PRO 70 -13.711 1.066 13.531 582 1HD PRO 70 2HD PRO 70 -13.063 -0.934 11.844 583 2HD PRO 70 1HD PRO 70 -14.619 -0.075 11.744 584 H ASN 71 H ASN 71 -11.411 4.089 9.831 585 HA ASN 71 HA ASN 71 -9.174 4.590 9.287 586 1HB ASN 71 2HB ASN 71 -8.772 2.253 11.191 587 2HB ASN 71 1HB ASN 71 -7.511 3.381 10.702 588 1HD2 ASN 71 1HD2 ASN 71 -9.116 2.825 13.373 589 2HD2 ASN 71 2HD2 ASN 71 -9.508 4.392 13.894 590 H THR 72 H THR 72 -10.150 3.433 7.157 591 HA THR 72 HA THR 72 -8.230 1.236 6.425 592 HB THR 72 HB THR 72 -11.187 1.614 5.938 593 HG1 THR 72 1HG THR 72 -9.499 -0.409 6.964 594 1HG2 THR 72 1HG2 THR 72 -11.036 -0.329 4.360 595 2HG2 THR 72 2HG2 THR 72 -9.281 -0.158 4.385 596 3HG2 THR 72 3HG2 THR 72 -10.282 1.138 3.735 597 H PHE 73 H PHE 73 -7.608 1.235 4.135 598 HA PHE 73 HA PHE 73 -7.948 3.914 2.810 599 1HB PHE 73 2HB PHE 73 -5.639 2.124 3.375 600 2HB PHE 73 1HB PHE 73 -5.625 2.949 1.815 601 HD1 PHE 73 1HD PHE 73 -5.604 3.398 5.479 602 HD2 PHE 73 2HD PHE 73 -5.471 5.375 1.667 603 HE1 PHE 73 1HE PHE 73 -4.899 5.499 6.593 604 HE2 PHE 73 2HE PHE 73 -4.765 7.475 2.783 605 HZ PHE 73 HZ PHE 73 -4.480 7.536 5.246 606 H VAL 74 H VAL 74 -8.858 3.828 0.783 607 HA VAL 74 HA VAL 74 -8.821 1.199 -0.678 608 HB VAL 74 HB VAL 74 -11.018 3.290 -0.452 609 1HG1 VAL 74 1HG1 VAL 74 -12.343 1.528 -1.720 610 2HG1 VAL 74 2HG1 VAL 74 -10.807 0.730 -2.060 611 3HG1 VAL 74 3HG1 VAL 74 -11.109 2.358 -2.667 612 1HG2 VAL 74 1HG2 VAL 74 -12.129 1.829 0.973 613 2HG2 VAL 74 2HG2 VAL 74 -10.460 1.503 1.435 614 3HG2 VAL 74 3HG2 VAL 74 -11.300 0.412 0.334 615 H ILE 75 H ILE 75 -8.090 1.338 -2.772 616 HA ILE 75 HA ILE 75 -7.714 4.082 -3.928 617 HB ILE 75 HB ILE 75 -5.592 3.066 -3.435 618 1HG1 ILE 75 2HG1 ILE 75 -5.663 2.250 -6.281 619 2HG1 ILE 75 1HG1 ILE 75 -6.268 3.873 -5.955 620 1HG2 ILE 75 1HG2 ILE 75 -6.915 0.608 -4.502 621 2HG2 ILE 75 2HG2 ILE 75 -5.877 0.801 -3.091 622 3HG2 ILE 75 3HG2 ILE 75 -5.173 0.766 -4.707 623 1HD1 ILE 75 1HD1 ILE 75 -3.734 3.087 -4.599 624 2HD1 ILE 75 2HD1 ILE 75 -4.218 4.649 -5.262 625 3HD1 ILE 75 3HD1 ILE 75 -3.655 3.369 -6.338 626 H ARG 76 H ARG 76 -9.071 4.469 -5.594 627 HA ARG 76 HA ARG 76 -10.016 2.156 -7.263 628 1HB ARG 76 2HB ARG 76 -11.313 4.752 -6.385 629 2HB ARG 76 1HB ARG 76 -12.009 3.709 -7.625 630 1HG ARG 76 2HG ARG 76 -11.679 1.829 -5.802 631 2HG ARG 76 1HG ARG 76 -11.676 3.196 -4.687 632 1HD ARG 76 2HD ARG 76 -13.922 3.450 -4.879 633 2HD ARG 76 1HD ARG 76 -13.833 3.418 -6.650 634 HE ARG 76 HE ARG 76 -13.346 0.778 -5.642 635 1HH1 ARG 76 1HH2 ARG 76 -15.879 3.132 -6.007 636 2HH1 ARG 76 2HH2 ARG 76 -17.129 1.944 -6.132 637 1HH2 ARG 76 1HH1 ARG 76 -14.983 -0.764 -5.804 638 2HH2 ARG 76 2HH1 ARG 76 -16.625 -0.257 -6.018 639 H CYS 77 H CYS 77 -9.895 2.399 -9.512 640 HA CYS 77 HA CYS 77 -8.797 4.983 -10.567 641 1HB CYS 77 2HB CYS 77 -7.566 2.391 -10.366 642 2HB CYS 77 1HB CYS 77 -7.789 2.781 -12.071 643 H LEU 78 H LEU 78 -9.503 5.505 -12.691 644 HA LEU 78 HA LEU 78 -11.684 3.752 -13.785 645 1HB LEU 78 2HB LEU 78 -12.698 5.901 -14.551 646 2HB LEU 78 1HB LEU 78 -12.500 5.848 -12.802 647 HG LEU 78 HG LEU 78 -10.126 6.920 -14.119 648 1HD1 LEU 78 1HD1 LEU 78 -11.100 9.008 -14.905 649 2HD1 LEU 78 2HD1 LEU 78 -12.713 8.473 -14.432 650 3HD1 LEU 78 3HD1 LEU 78 -11.868 7.668 -15.754 651 1HD2 LEU 78 1HD2 LEU 78 -12.058 8.206 -12.166 652 2HD2 LEU 78 2HD2 LEU 78 -10.358 8.611 -12.411 653 3HD2 LEU 78 3HD2 LEU 78 -10.800 7.069 -11.680 654 H GLN 79 H GLN 79 -9.280 3.032 -14.716 655 HA GLN 79 HA GLN 79 -9.284 4.027 -17.515 656 1HB GLN 79 2HB GLN 79 -7.627 5.173 -15.686 657 2HB GLN 79 1HB GLN 79 -6.615 3.829 -16.217 658 1HG GLN 79 2HG GLN 79 -6.395 4.656 -18.350 659 2HG GLN 79 1HG GLN 79 -8.001 5.385 -18.346 660 1HE2 GLN 79 1HE2 GLN 79 -4.762 5.814 -16.805 661 2HE2 GLN 79 2HE2 GLN 79 -4.876 7.504 -16.705 662 H TRP 80 H TRP 80 -8.535 2.450 -18.973 663 HA TRP 80 HA TRP 80 -7.921 0.317 -19.759 664 1HB TRP 80 2HB TRP 80 -6.032 1.115 -17.986 665 2HB TRP 80 1HB TRP 80 -6.591 -0.350 -17.179 666 HD1 TRP 80 HD TRP 80 -5.318 0.781 -20.649 667 HE1 TRP 80 1HE TRP 80 -4.104 -1.210 -21.749 668 HE3 TRP 80 3HE TRP 80 -6.158 -2.817 -17.125 669 HZ2 TRP 80 2HZ TRP 80 -3.565 -3.968 -21.202 670 HZ3 TRP 80 3HZ TRP 80 -5.286 -5.113 -17.439 671 HH2 TRP 80 HH TRP 80 -3.991 -5.694 -19.471 672 H THR 81 H THR 81 -7.944 -2.153 -18.887 673 HA THR 81 HA THR 81 -10.580 -2.495 -17.517 674 HB THR 81 HB THR 81 -10.433 -4.749 -18.675 675 HG1 THR 81 1HG THR 81 -8.293 -5.026 -18.988 676 1HG2 THR 81 1HG2 THR 81 -10.248 -3.396 -21.063 677 2HG2 THR 81 2HG2 THR 81 -10.628 -2.100 -19.930 678 3HG2 THR 81 3HG2 THR 81 -11.700 -3.493 -20.068 679 H THR 82 H THR 82 -10.178 -5.261 -16.872 680 HA THR 82 HA THR 82 -9.400 -6.595 -15.095 681 HB THR 82 HB THR 82 -6.807 -5.079 -15.468 682 HG1 THR 82 1HG THR 82 -7.832 -7.151 -17.116 683 1HG2 THR 82 1HG2 THR 82 -6.634 -6.753 -13.790 684 2HG2 THR 82 2HG2 THR 82 -5.951 -7.487 -15.241 685 3HG2 THR 82 3HG2 THR 82 -7.586 -7.902 -14.728 686 H VAL 83 H VAL 83 -10.893 -4.702 -13.986 687 HA VAL 83 HA VAL 83 -9.279 -3.180 -12.000 688 HB VAL 83 HB VAL 83 -11.156 -2.187 -13.404 689 1HG1 VAL 83 1HG1 VAL 83 -13.061 -3.467 -11.466 690 2HG1 VAL 83 2HG1 VAL 83 -12.601 -4.334 -12.931 691 3HG1 VAL 83 3HG1 VAL 83 -13.387 -2.760 -13.049 692 1HG2 VAL 83 1HG2 VAL 83 -11.818 -0.727 -11.681 693 2HG2 VAL 83 2HG2 VAL 83 -10.284 -1.370 -11.094 694 3HG2 VAL 83 3HG2 VAL 83 -11.805 -2.006 -10.465 695 H ILE 84 H ILE 84 -9.112 -3.876 -9.896 696 HA ILE 84 HA ILE 84 -10.977 -6.039 -8.961 697 HB ILE 84 HB ILE 84 -8.000 -5.733 -8.425 698 1HG1 ILE 84 2HG1 ILE 84 -8.536 -8.116 -9.843 699 2HG1 ILE 84 1HG1 ILE 84 -9.430 -6.851 -10.685 700 1HG2 ILE 84 1HG2 ILE 84 -8.940 -6.931 -6.612 701 2HG2 ILE 84 2HG2 ILE 84 -8.347 -8.183 -7.702 702 3HG2 ILE 84 3HG2 ILE 84 -10.066 -7.796 -7.658 703 1HD1 ILE 84 1HD1 ILE 84 -6.499 -6.677 -9.926 704 2HD1 ILE 84 2HD1 ILE 84 -7.407 -5.489 -10.860 705 3HD1 ILE 84 3HD1 ILE 84 -7.097 -7.090 -11.531 706 H GLU 85 H GLU 85 -11.108 -6.147 -6.545 707 HA GLU 85 HA GLU 85 -11.603 -3.578 -5.336 708 1HB GLU 85 2HB GLU 85 -12.706 -5.792 -4.841 709 2HB GLU 85 1HB GLU 85 -11.214 -6.306 -4.053 710 1HG GLU 85 2HG GLU 85 -11.556 -3.996 -2.746 711 2HG GLU 85 1HG GLU 85 -13.244 -4.307 -3.153 712 H ARG 86 H ARG 86 -9.719 -2.290 -5.230 713 HA ARG 86 HA ARG 86 -7.279 -3.427 -3.943 714 1HB ARG 86 2HB ARG 86 -7.901 -0.914 -5.524 715 2HB ARG 86 1HB ARG 86 -6.327 -1.223 -4.795 716 1HG ARG 86 2HG ARG 86 -6.638 -3.557 -6.092 717 2HG ARG 86 1HG ARG 86 -7.617 -2.530 -7.141 718 1HD ARG 86 2HD ARG 86 -5.298 -1.015 -6.602 719 2HD ARG 86 1HD ARG 86 -4.725 -2.659 -6.926 720 HE ARG 86 HE ARG 86 -5.543 -2.476 -9.140 721 1HH1 ARG 86 1HH2 ARG 86 -6.832 0.056 -7.130 722 2HH1 ARG 86 2HH2 ARG 86 -7.478 0.948 -8.463 723 1HH2 ARG 86 1HH1 ARG 86 -6.393 -1.303 -10.867 724 2HH2 ARG 86 2HH1 ARG 86 -7.234 0.181 -10.572 725 H THR 87 H THR 87 -8.100 -3.410 -1.741 726 HA THR 87 HA THR 87 -8.103 -0.686 -0.508 727 HB THR 87 HB THR 87 -10.429 -1.335 -0.784 728 HG1 THR 87 1HG THR 87 -11.030 -1.311 1.367 729 1HG2 THR 87 1HG2 THR 87 -10.186 -3.720 -1.121 730 2HG2 THR 87 2HG2 THR 87 -11.253 -3.466 0.260 731 3HG2 THR 87 3HG2 THR 87 -9.573 -3.934 0.518 732 H PHE 88 H PHE 88 -7.127 -0.632 1.560 733 HA PHE 88 HA PHE 88 -6.238 -3.238 2.711 734 1HB PHE 88 2HB PHE 88 -4.020 -2.736 2.453 735 2HB PHE 88 1HB PHE 88 -4.614 -1.713 1.154 736 HD1 PHE 88 1HD PHE 88 -3.983 -1.606 4.858 737 HD2 PHE 88 2HD PHE 88 -4.007 0.543 1.139 738 HE1 PHE 88 1HE PHE 88 -3.027 0.372 5.993 739 HE2 PHE 88 2HE PHE 88 -3.048 2.524 2.283 740 HZ PHE 88 HZ PHE 88 -2.557 2.434 4.715 741 H HIS 89 H HIS 89 -6.026 -3.233 4.964 742 HA HIS 89 HA HIS 89 -7.191 -0.855 6.374 743 1HB HIS 89 2HB HIS 89 -7.101 -3.834 6.923 744 2HB HIS 89 1HB HIS 89 -7.667 -2.669 8.115 745 HD1 HIS 89 1HD HIS 89 -10.066 -3.714 7.956 746 HD2 HIS 89 2HD HIS 89 -8.726 -2.024 4.402 747 HE1 HIS 89 1HE HIS 89 -12.098 -3.471 6.478 748 H VAL 90 H VAL 90 -6.237 -0.305 8.481 749 HA VAL 90 HA VAL 90 -3.337 -1.044 8.658 750 HB VAL 90 HB VAL 90 -3.151 1.073 9.926 751 1HG1 VAL 90 1HG1 VAL 90 -3.936 2.603 8.040 752 2HG1 VAL 90 2HG1 VAL 90 -4.586 1.158 7.269 753 3HG1 VAL 90 3HG1 VAL 90 -2.855 1.291 7.574 754 1HG2 VAL 90 1HG2 VAL 90 -5.693 0.777 10.678 755 2HG2 VAL 90 2HG2 VAL 90 -5.984 1.771 9.253 756 3HG2 VAL 90 3HG2 VAL 90 -4.963 2.377 10.554 757 H ASP 91 H ASP 91 -2.476 -1.520 10.812 758 HA ASP 91 HA ASP 91 -4.389 -3.020 12.476 759 1HB ASP 91 2HB ASP 91 -1.821 -3.406 11.744 760 2HB ASP 91 1HB ASP 91 -1.553 -2.601 13.290 761 H SER 92 H SER 92 -3.578 0.231 12.387 762 HA SER 92 HA SER 92 -4.537 0.636 15.151 763 1HB SER 92 2HB SER 92 -2.194 0.359 15.562 764 2HB SER 92 1HB SER 92 -1.760 1.310 14.145 765 HG SER 92 HG SER 92 -1.795 2.264 16.451 766 HA PRO 93 HA PRO 93 -6.288 4.199 13.205 767 1HB PRO 93 2HB PRO 93 -6.527 5.866 15.376 768 2HB PRO 93 1HB PRO 93 -7.606 4.485 15.088 769 1HG PRO 93 2HG PRO 93 -5.230 4.684 16.885 770 2HG PRO 93 1HG PRO 93 -6.807 3.930 17.182 771 1HD PRO 93 2HD PRO 93 -4.629 2.480 16.538 772 2HD PRO 93 1HD PRO 93 -6.264 2.015 16.011 773 H ASP 94 H ASP 94 -3.483 4.600 15.341 774 HA ASP 94 HA ASP 94 -2.668 7.205 14.369 775 1HB ASP 94 2HB ASP 94 -1.434 4.913 15.900 776 2HB ASP 94 1HB ASP 94 -0.423 6.262 15.379 777 H GLU 95 H GLU 95 -1.886 3.837 13.472 778 HA GLU 95 HA GLU 95 0.197 4.343 11.595 779 1HB GLU 95 2HB GLU 95 -0.971 2.155 12.634 780 2HB GLU 95 1HB GLU 95 -1.812 2.190 11.083 781 1HG GLU 95 2HG GLU 95 0.509 2.460 10.013 782 2HG GLU 95 1HG GLU 95 1.165 2.008 11.584 783 H ARG 96 H ARG 96 -3.355 4.229 11.152 784 HA ARG 96 HA ARG 96 -3.496 4.561 8.343 785 1HB ARG 96 2HB ARG 96 -5.587 4.279 9.206 786 2HB ARG 96 1HB ARG 96 -5.156 5.045 10.732 787 1HG ARG 96 2HG ARG 96 -5.246 7.280 9.483 788 2HG ARG 96 1HG ARG 96 -5.995 6.397 8.153 789 1HD ARG 96 2HD ARG 96 -7.962 6.056 9.312 790 2HD ARG 96 1HD ARG 96 -7.147 5.992 10.883 791 HE ARG 96 HE ARG 96 -7.955 8.452 9.451 792 1HH1 ARG 96 1HH2 ARG 96 -6.073 7.000 11.994 793 2HH1 ARG 96 2HH2 ARG 96 -6.053 8.434 12.959 794 1HH2 ARG 96 1HH1 ARG 96 -7.912 10.323 10.726 795 2HH2 ARG 96 2HH1 ARG 96 -7.078 10.307 12.243 796 H GLU 97 H GLU 97 -3.090 7.013 10.904 797 HA GLU 97 HA GLU 97 -3.183 9.327 9.187 798 1HB GLU 97 2HB GLU 97 -2.335 8.611 11.956 799 2HB GLU 97 1HB GLU 97 -1.687 10.114 11.296 800 1HG GLU 97 2HG GLU 97 -4.258 10.392 10.534 801 2HG GLU 97 1HG GLU 97 -4.497 9.404 11.974 802 H GLU 98 H GLU 98 -0.493 7.288 10.374 803 HA GLU 98 HA GLU 98 1.655 8.826 9.251 804 1HB GLU 98 2HB GLU 98 1.774 7.004 10.991 805 2HB GLU 98 1HB GLU 98 1.470 5.827 9.713 806 1HG GLU 98 2HG GLU 98 3.765 5.784 9.640 807 2HG GLU 98 1HG GLU 98 3.516 7.167 8.578 808 H TRP 99 H TRP 99 -0.332 6.171 7.926 809 HA TRP 99 HA TRP 99 1.089 5.762 5.472 810 1HB TRP 99 2HB TRP 99 -1.834 5.487 6.246 811 2HB TRP 99 1HB TRP 99 -1.167 4.873 4.736 812 HD1 TRP 99 HD TRP 99 -2.189 3.517 7.781 813 HE1 TRP 99 1HE TRP 99 -0.824 1.466 8.517 814 HE3 TRP 99 3HE TRP 99 1.930 4.090 4.814 815 HZ2 TRP 99 2HZ TRP 99 1.685 0.235 7.939 816 HZ3 TRP 99 3HZ TRP 99 3.795 2.462 4.934 817 HH2 TRP 99 HH TRP 99 3.677 0.537 6.493 818 H MET 100 H MET 100 -1.713 7.854 6.230 819 HA MET 100 HA MET 100 -2.140 8.990 3.669 820 1HB MET 100 2HB MET 100 -3.470 9.125 5.876 821 2HB MET 100 1HB MET 100 -2.389 10.448 6.310 822 1HG MET 100 2HG MET 100 -3.439 10.742 3.601 823 2HG MET 100 1HG MET 100 -4.725 10.672 4.806 824 1HE MET 100 1HE MET 100 -4.031 12.208 7.391 825 2HE MET 100 2HE MET 100 -5.384 12.165 6.264 826 3HE MET 100 3HE MET 100 -4.689 13.713 6.736 827 H ARG 101 H ARG 101 -0.002 10.099 6.318 828 HA ARG 101 HA ARG 101 0.979 12.462 5.019 829 1HB ARG 101 2HB ARG 101 2.167 10.599 7.102 830 2HB ARG 101 1HB ARG 101 2.816 12.194 6.721 831 1HG ARG 101 2HG ARG 101 -0.094 12.059 7.324 832 2HG ARG 101 1HG ARG 101 1.002 11.791 8.679 833 1HD ARG 101 2HD ARG 101 2.219 13.929 7.924 834 2HD ARG 101 1HD ARG 101 0.798 14.235 6.905 835 HE ARG 101 HE ARG 101 0.055 13.528 9.627 836 1HH1 ARG 101 1HH2 ARG 101 1.125 16.109 7.552 837 2HH1 ARG 101 2HH2 ARG 101 0.410 17.346 8.526 838 1HH2 ARG 101 1HH1 ARG 101 -0.873 15.145 10.885 839 2HH2 ARG 101 2HH1 ARG 101 -0.717 16.803 10.410 840 H ALA 102 H ALA 102 2.187 9.099 5.058 841 HA ALA 102 HA ALA 102 4.598 9.568 3.565 842 1HB ALA 102 1HB ALA 102 4.344 7.556 4.819 843 2HB ALA 102 2HB ALA 102 4.286 7.050 3.130 844 3HB ALA 102 3HB ALA 102 2.794 7.191 4.060 845 H ILE 103 H ILE 103 1.302 8.618 2.550 846 HA ILE 103 HA ILE 103 1.858 8.282 -0.246 847 HB ILE 103 HB ILE 103 -0.641 9.073 1.295 848 1HG1 ILE 103 2HG1 ILE 103 -0.003 6.388 0.076 849 2HG1 ILE 103 1HG1 ILE 103 0.604 6.812 1.675 850 1HG2 ILE 103 1HG2 ILE 103 -0.481 7.923 -1.506 851 2HG2 ILE 103 2HG2 ILE 103 -0.691 9.643 -1.181 852 3HG2 ILE 103 3HG2 ILE 103 -1.920 8.492 -0.661 853 1HD1 ILE 103 1HD1 ILE 103 -2.246 6.484 0.768 854 2HD1 ILE 103 2HD1 ILE 103 -1.868 7.482 2.172 855 3HD1 ILE 103 3HD1 ILE 103 -1.440 5.772 2.166 856 H GLN 104 H GLN 104 0.892 11.143 1.665 857 HA GLN 104 HA GLN 104 0.549 12.946 -0.551 858 1HB GLN 104 2HB GLN 104 0.663 12.987 2.370 859 2HB GLN 104 1HB GLN 104 1.395 14.429 1.666 860 1HG GLN 104 2HG GLN 104 -1.098 13.675 0.329 861 2HG GLN 104 1HG GLN 104 -1.325 14.017 2.044 862 1HE2 GLN 104 1HE2 GLN 104 -0.155 15.441 -1.017 863 2HE2 GLN 104 2HE2 GLN 104 -0.237 17.052 -0.486 864 H MET 105 H MET 105 3.385 12.110 1.464 865 HA MET 105 HA MET 105 5.194 14.065 0.401 866 1HB MET 105 2HB MET 105 5.461 12.622 2.455 867 2HB MET 105 1HB MET 105 5.779 11.252 1.390 868 1HG MET 105 2HG MET 105 7.777 12.233 0.547 869 2HG MET 105 1HG MET 105 7.370 13.816 1.212 870 1HE MET 105 1HE MET 105 8.304 14.636 3.549 871 2HE MET 105 2HE MET 105 9.378 14.285 2.196 872 3HE MET 105 3HE MET 105 9.839 13.801 3.827 873 H VAL 106 H VAL 106 4.432 10.726 -0.617 874 HA VAL 106 HA VAL 106 6.332 10.625 -2.798 875 HB VAL 106 HB VAL 106 3.748 9.138 -2.192 876 1HG1 VAL 106 1HG1 VAL 106 5.593 9.023 -4.489 877 2HG1 VAL 106 2HG1 VAL 106 3.945 8.413 -4.338 878 3HG1 VAL 106 3HG1 VAL 106 5.298 7.459 -3.728 879 1HG2 VAL 106 1HG2 VAL 106 5.049 8.221 -0.580 880 2HG2 VAL 106 2HG2 VAL 106 6.506 8.977 -1.226 881 3HG2 VAL 106 3HG2 VAL 106 5.941 7.443 -1.888 882 H ALA 107 H ALA 107 2.849 11.413 -2.595 883 HA ALA 107 HA ALA 107 2.345 11.841 -5.368 884 1HB ALA 107 1HB ALA 107 0.647 11.644 -3.576 885 2HB ALA 107 2HB ALA 107 0.418 13.130 -4.498 886 3HB ALA 107 3HB ALA 107 1.178 13.187 -2.907 887 H ASN 108 H ASN 108 3.606 14.036 -2.852 888 HA ASN 108 HA ASN 108 3.569 16.483 -4.307 889 1HB ASN 108 2HB ASN 108 4.974 15.278 -1.988 890 2HB ASN 108 1HB ASN 108 5.795 16.653 -2.727 891 1HD2 ASN 108 1HD2 ASN 108 2.763 15.663 -1.123 892 2HD2 ASN 108 2HD2 ASN 108 2.249 17.241 -0.769 893 H SER 109 H SER 109 5.965 13.845 -4.265 894 HA SER 109 HA SER 109 7.771 15.270 -6.118 895 1HB SER 109 2HB SER 109 7.787 12.445 -5.003 896 2HB SER 109 1HB SER 109 9.138 13.246 -5.803 897 HG SER 109 HG SER 109 8.285 13.425 -3.236 898 H LEU 110 H LEU 110 5.364 12.668 -6.217 899 HA LEU 110 HA LEU 110 5.922 11.513 -8.743 900 1HB LEU 110 2HB LEU 110 3.769 11.669 -6.790 901 2HB LEU 110 1HB LEU 110 3.126 11.616 -8.429 902 HG LEU 110 HG LEU 110 4.275 9.564 -8.909 903 1HD1 LEU 110 1HD1 LEU 110 5.609 8.585 -6.810 904 2HD1 LEU 110 2HD1 LEU 110 5.839 10.299 -6.469 905 3HD1 LEU 110 3HD1 LEU 110 6.399 9.622 -7.997 906 1HD2 LEU 110 1HD2 LEU 110 3.463 8.096 -7.005 907 2HD2 LEU 110 2HD2 LEU 110 2.249 9.188 -7.671 908 3HD2 LEU 110 3HD2 LEU 110 3.042 9.575 -6.144 909 H LYS 111 H LYS 111 4.061 14.449 -7.936 910 HA LYS 111 HA LYS 111 3.275 16.209 -9.284 911 1HB LYS 111 2HB LYS 111 5.475 15.115 -11.078 912 2HB LYS 111 1HB LYS 111 4.756 16.718 -11.210 913 1HG LYS 111 2HG LYS 111 5.569 16.325 -8.490 914 2HG LYS 111 1HG LYS 111 6.920 15.898 -9.540 915 1HD LYS 111 2HD LYS 111 7.324 18.133 -9.581 916 2HD LYS 111 1HD LYS 111 5.997 18.185 -10.741 917 1HE LYS 111 2HE LYS 111 4.883 19.531 -9.294 918 2HE LYS 111 1HE LYS 111 4.786 18.158 -8.174 919 1HZ LYS 111 1HZ LYS 111 6.960 18.707 -7.318 920 2HZ LYS 111 2HZ LYS 111 5.956 20.072 -7.198 921 3HZ LYS 111 3HZ LYS 111 7.126 19.980 -8.428 Start of MODEL 16 1 1H MET 1 1H MET 1 20.280 3.639 -12.100 2 2H MET 1 2H MET 1 21.446 3.578 -10.865 3 3H MET 1 3H MET 1 21.376 4.919 -11.904 4 HA MET 1 HA MET 1 20.379 5.213 -9.585 5 1HB MET 1 2HB MET 1 19.362 5.876 -12.305 6 2HB MET 1 1HB MET 1 18.285 6.255 -10.961 7 1HG MET 1 2HG MET 1 21.111 7.020 -10.539 8 2HG MET 1 1HG MET 1 20.282 7.907 -11.819 9 1HE MET 1 1HE MET 1 21.279 8.761 -8.419 10 2HE MET 1 2HE MET 1 20.847 7.055 -8.365 11 3HE MET 1 3HE MET 1 19.958 8.213 -7.378 12 H ASN 2 H ASN 2 19.932 2.340 -10.029 13 HA ASN 2 HA ASN 2 16.969 2.063 -9.773 14 1HB ASN 2 2HB ASN 2 19.278 0.155 -10.249 15 2HB ASN 2 1HB ASN 2 17.629 -0.404 -9.968 16 1HD2 ASN 2 1HD2 ASN 2 19.700 0.159 -12.467 17 2HD2 ASN 2 2HD2 ASN 2 18.593 0.622 -13.668 18 H GLU 3 H GLU 3 17.616 3.278 -7.566 19 HA GLU 3 HA GLU 3 17.681 1.168 -5.469 20 1HB GLU 3 2HB GLU 3 19.403 2.637 -4.255 21 2HB GLU 3 1HB GLU 3 19.995 1.761 -5.664 22 1HG GLU 3 2HG GLU 3 19.586 3.830 -7.041 23 2HG GLU 3 1HG GLU 3 19.185 4.684 -5.551 24 H VAL 4 H VAL 4 15.332 2.110 -5.741 25 HA VAL 4 HA VAL 4 14.752 4.769 -4.745 26 HB VAL 4 HB VAL 4 13.136 2.218 -5.065 27 1HG1 VAL 4 1HG1 VAL 4 12.115 5.031 -4.580 28 2HG1 VAL 4 2HG1 VAL 4 12.150 3.763 -3.356 29 3HG1 VAL 4 3HG1 VAL 4 11.140 3.577 -4.789 30 1HG2 VAL 4 1HG2 VAL 4 14.103 3.361 -7.113 31 2HG2 VAL 4 2HG2 VAL 4 13.124 4.770 -6.702 32 3HG2 VAL 4 3HG2 VAL 4 12.344 3.239 -7.101 33 H SER 5 H SER 5 14.407 5.436 -2.623 34 HA SER 5 HA SER 5 15.074 3.525 -0.461 35 1HB SER 5 2HB SER 5 14.919 6.469 -0.877 36 2HB SER 5 1HB SER 5 14.636 5.895 0.763 37 HG SER 5 HG SER 5 16.697 5.552 0.906 38 H VAL 6 H VAL 6 13.678 3.413 1.483 39 HA VAL 6 HA VAL 6 10.813 3.272 0.742 40 HB VAL 6 HB VAL 6 12.422 2.417 3.172 41 1HG1 VAL 6 1HG1 VAL 6 9.530 1.841 2.451 42 2HG1 VAL 6 2HG1 VAL 6 10.069 2.882 3.768 43 3HG1 VAL 6 3HG1 VAL 6 10.403 1.152 3.820 44 1HG2 VAL 6 1HG2 VAL 6 12.933 1.157 1.123 45 2HG2 VAL 6 2HG2 VAL 6 11.214 0.868 0.856 46 3HG2 VAL 6 3HG2 VAL 6 12.025 0.145 2.246 47 H ILE 7 H ILE 7 9.240 4.612 1.604 48 HA ILE 7 HA ILE 7 10.170 6.952 3.192 49 HB ILE 7 HB ILE 7 7.960 6.285 1.304 50 1HG1 ILE 7 2HG1 ILE 7 8.437 8.640 0.602 51 2HG1 ILE 7 1HG1 ILE 7 9.619 8.754 1.903 52 1HG2 ILE 7 1HG2 ILE 7 6.550 6.911 3.129 53 2HG2 ILE 7 2HG2 ILE 7 6.710 8.358 2.136 54 3HG2 ILE 7 3HG2 ILE 7 7.643 8.203 3.624 55 1HD1 ILE 7 1HD1 ILE 7 10.508 8.136 -0.434 56 2HD1 ILE 7 2HD1 ILE 7 9.760 6.563 -0.166 57 3HD1 ILE 7 3HD1 ILE 7 11.032 7.129 0.914 58 H LYS 8 H LYS 8 7.820 4.253 3.352 59 HA LYS 8 HA LYS 8 7.773 4.587 6.303 60 1HB LYS 8 2HB LYS 8 5.994 6.032 5.170 61 2HB LYS 8 1HB LYS 8 5.218 4.527 4.679 62 1HG LYS 8 2HG LYS 8 4.170 5.189 6.735 63 2HG LYS 8 1HG LYS 8 5.242 3.846 7.131 64 1HD LYS 8 2HD LYS 8 6.950 5.944 7.446 65 2HD LYS 8 1HD LYS 8 5.425 6.699 7.911 66 1HE LYS 8 2HE LYS 8 5.010 4.842 9.520 67 2HE LYS 8 1HE LYS 8 6.585 4.146 9.090 68 1HZ LYS 8 1HZ LYS 8 6.938 5.542 10.964 69 2HZ LYS 8 2HZ LYS 8 6.056 6.820 10.275 70 3HZ LYS 8 3HZ LYS 8 7.560 6.370 9.622 71 H GLU 9 H GLU 9 7.578 2.642 7.327 72 HA GLU 9 HA GLU 9 6.754 0.251 5.713 73 1HB GLU 9 2HB GLU 9 8.539 -0.962 6.768 74 2HB GLU 9 1HB GLU 9 9.239 0.574 6.264 75 1HG GLU 9 2HG GLU 9 8.541 1.358 8.682 76 2HG GLU 9 1HG GLU 9 8.537 -0.370 9.030 77 H GLY 10 H GLY 10 5.171 -1.023 6.691 78 1HA GLY 10 2HA GLY 10 4.781 -1.098 9.564 79 2HA GLY 10 1HA GLY 10 3.566 -0.094 8.782 80 H TRP 11 H TRP 11 2.658 -2.296 10.087 81 HA TRP 11 HA TRP 11 2.343 -4.497 8.109 82 1HB TRP 11 2HB TRP 11 1.866 -4.059 11.042 83 2HB TRP 11 1HB TRP 11 0.996 -5.359 10.227 84 HD1 TRP 11 HD TRP 11 4.519 -4.233 11.175 85 HE1 TRP 11 1HE TRP 11 6.126 -6.242 10.931 86 HE3 TRP 11 3HE TRP 11 1.377 -7.624 9.006 87 HZ2 TRP 11 2HZ TRP 11 6.081 -8.919 9.939 88 HZ3 TRP 11 3HZ TRP 11 2.185 -9.893 8.421 89 HH2 TRP 11 HH TRP 11 4.531 -10.543 8.885 90 H LEU 12 H LEU 12 0.504 -4.681 6.888 91 HA LEU 12 HA LEU 12 -1.888 -3.045 7.675 92 1HB LEU 12 2HB LEU 12 -0.752 -3.647 4.922 93 2HB LEU 12 1HB LEU 12 -2.218 -2.721 5.230 94 HG LEU 12 HG LEU 12 0.568 -1.980 6.181 95 1HD1 LEU 12 1HD1 LEU 12 -0.069 -1.750 3.679 96 2HD1 LEU 12 2HD1 LEU 12 0.582 -0.329 4.494 97 3HD1 LEU 12 3HD1 LEU 12 -1.154 -0.468 4.219 98 1HD2 LEU 12 1HD2 LEU 12 -1.292 0.179 6.298 99 2HD2 LEU 12 2HD2 LEU 12 -0.472 -0.614 7.643 100 3HD2 LEU 12 3HD2 LEU 12 -2.043 -1.201 7.098 101 H HIS 13 H HIS 13 -3.920 -4.027 7.303 102 HA HIS 13 HA HIS 13 -3.870 -6.990 7.057 103 1HB HIS 13 2HB HIS 13 -5.568 -4.871 8.227 104 2HB HIS 13 1HB HIS 13 -6.462 -6.223 7.532 105 HD1 HIS 13 1HD HIS 13 -6.325 -8.477 8.721 106 HD2 HIS 13 2HD HIS 13 -3.806 -5.611 10.397 107 HE1 HIS 13 1HE HIS 13 -5.480 -9.453 10.901 108 H LYS 14 H LYS 14 -4.546 -8.020 5.205 109 HA LYS 14 HA LYS 14 -6.063 -6.411 3.171 110 1HB LYS 14 2HB LYS 14 -3.735 -6.763 2.507 111 2HB LYS 14 1HB LYS 14 -3.882 -8.494 2.819 112 1HG LYS 14 2HG LYS 14 -5.418 -8.791 1.011 113 2HG LYS 14 1HG LYS 14 -5.658 -7.053 0.838 114 1HD LYS 14 2HD LYS 14 -2.999 -7.133 0.456 115 2HD LYS 14 1HD LYS 14 -3.400 -8.759 -0.100 116 1HE LYS 14 2HE LYS 14 -5.284 -6.765 -1.131 117 2HE LYS 14 1HE LYS 14 -3.614 -6.435 -1.630 118 1HZ LYS 14 1HZ LYS 14 -4.796 -8.038 -3.098 119 2HZ LYS 14 2HZ LYS 14 -4.893 -9.117 -1.789 120 3HZ LYS 14 3HZ LYS 14 -3.377 -8.663 -2.412 121 H ARG 15 H ARG 15 -7.833 -7.426 2.250 122 HA ARG 15 HA ARG 15 -8.894 -9.844 3.504 123 1HB ARG 15 2HB ARG 15 -10.483 -8.206 2.917 124 2HB ARG 15 1HB ARG 15 -9.708 -7.879 1.370 125 1HG ARG 15 2HG ARG 15 -10.381 -10.261 0.697 126 2HG ARG 15 1HG ARG 15 -11.409 -10.262 2.131 127 1HD ARG 15 2HD ARG 15 -12.993 -9.246 0.864 128 2HD ARG 15 1HD ARG 15 -11.955 -7.811 0.845 129 HE ARG 15 HE ARG 15 -12.038 -9.917 -1.259 130 1HH1 ARG 15 1HH2 ARG 15 -10.680 -6.948 -0.024 131 2HH1 ARG 15 2HH2 ARG 15 -10.041 -6.466 -1.556 132 1HH2 ARG 15 1HH1 ARG 15 -11.183 -9.285 -3.236 133 2HH2 ARG 15 2HH1 ARG 15 -10.316 -7.789 -3.370 134 H GLY 16 H GLY 16 -9.190 -11.892 2.414 135 1HA GLY 16 2HA GLY 16 -7.083 -12.769 0.725 136 2HA GLY 16 1HA GLY 16 -8.593 -13.644 0.968 137 H GLU 17 H GLU 17 -10.154 -13.572 -0.657 138 HA GLU 17 HA GLU 17 -9.679 -11.708 -2.959 139 1HB GLU 17 2HB GLU 17 -10.283 -14.680 -3.140 140 2HB GLU 17 1HB GLU 17 -9.965 -13.598 -4.490 141 1HG GLU 17 2HG GLU 17 -7.942 -13.992 -2.284 142 2HG GLU 17 1HG GLU 17 -8.018 -15.081 -3.665 143 H TYR 18 H TYR 18 -11.905 -14.310 -1.929 144 HA TYR 18 HA TYR 18 -14.214 -12.538 -2.644 145 1HB TYR 18 2HB TYR 18 -15.403 -14.704 -3.017 146 2HB TYR 18 1HB TYR 18 -13.977 -14.540 -4.037 147 HD1 TYR 18 1HD TYR 18 -15.400 -16.228 -1.076 148 HD2 TYR 18 2HD TYR 18 -12.009 -15.939 -3.699 149 HE1 TYR 18 1HE TYR 18 -14.491 -18.333 -0.133 150 HE2 TYR 18 2HE TYR 18 -11.101 -18.044 -2.754 151 HH TYR 18 HH TYR 18 -12.713 -20.226 -1.244 152 H ILE 19 H ILE 19 -12.873 -14.703 -0.164 153 HA ILE 19 HA ILE 19 -15.174 -14.749 1.567 154 HB ILE 19 HB ILE 19 -13.135 -16.274 1.538 155 1HG1 ILE 19 2HG1 ILE 19 -13.510 -15.113 4.292 156 2HG1 ILE 19 1HG1 ILE 19 -14.854 -15.915 3.479 157 1HG2 ILE 19 1HG2 ILE 19 -11.701 -13.954 1.719 158 2HG2 ILE 19 2HG2 ILE 19 -11.069 -15.541 2.157 159 3HG2 ILE 19 3HG2 ILE 19 -11.713 -14.474 3.405 160 1HD1 ILE 19 1HD1 ILE 19 -13.880 -17.703 4.608 161 2HD1 ILE 19 2HD1 ILE 19 -12.246 -17.070 4.410 162 3HD1 ILE 19 3HD1 ILE 19 -13.076 -17.810 3.041 163 H LYS 20 H LYS 20 -15.222 -13.630 3.752 164 HA LYS 20 HA LYS 20 -14.368 -10.784 3.445 165 1HB LYS 20 2HB LYS 20 -16.339 -12.067 5.369 166 2HB LYS 20 1HB LYS 20 -16.168 -10.346 5.035 167 1HG LYS 20 2HG LYS 20 -16.921 -12.395 2.930 168 2HG LYS 20 1HG LYS 20 -18.098 -11.446 3.836 169 1HD LYS 20 2HD LYS 20 -16.706 -9.390 3.032 170 2HD LYS 20 1HD LYS 20 -16.072 -10.504 1.819 171 1HE LYS 20 2HE LYS 20 -18.439 -11.049 1.156 172 2HE LYS 20 1HE LYS 20 -18.989 -9.777 2.265 173 1HZ LYS 20 1HZ LYS 20 -17.482 -8.226 1.105 174 2HZ LYS 20 2HZ LYS 20 -18.694 -8.837 0.084 175 3HZ LYS 20 3HZ LYS 20 -17.111 -9.443 -0.017 176 H THR 21 H THR 21 -12.230 -12.387 4.141 177 HA THR 21 HA THR 21 -11.900 -11.896 7.088 178 HB THR 21 HB THR 21 -10.488 -13.970 5.394 179 HG1 THR 21 1HG THR 21 -12.875 -14.168 6.916 180 1HG2 THR 21 1HG2 THR 21 -9.436 -13.356 7.546 181 2HG2 THR 21 2HG2 THR 21 -10.034 -15.015 7.567 182 3HG2 THR 21 3HG2 THR 21 -10.942 -13.740 8.380 183 H TRP 22 H TRP 22 -10.108 -10.691 7.672 184 HA TRP 22 HA TRP 22 -8.322 -9.743 5.462 185 1HB TRP 22 2HB TRP 22 -9.126 -8.540 8.134 186 2HB TRP 22 1HB TRP 22 -7.996 -7.788 7.008 187 HD1 TRP 22 HD TRP 22 -11.678 -8.824 7.304 188 HE1 TRP 22 1HE TRP 22 -13.057 -7.471 5.603 189 HE3 TRP 22 3HE TRP 22 -7.912 -6.414 4.835 190 HZ2 TRP 22 2HZ TRP 22 -12.623 -5.607 3.473 191 HZ3 TRP 22 3HZ TRP 22 -8.423 -4.857 2.977 192 HH2 TRP 22 HH TRP 22 -10.771 -4.451 2.292 193 H ARG 23 H ARG 23 -6.204 -10.346 5.550 194 HA ARG 23 HA ARG 23 -5.177 -11.599 8.069 195 1HB ARG 23 2HB ARG 23 -4.515 -11.851 5.125 196 2HB ARG 23 1HB ARG 23 -3.484 -12.540 6.379 197 1HG ARG 23 2HG ARG 23 -4.855 -14.312 6.574 198 2HG ARG 23 1HG ARG 23 -6.214 -13.248 6.935 199 1HD ARG 23 2HD ARG 23 -6.735 -12.989 4.586 200 2HD ARG 23 1HD ARG 23 -5.250 -13.836 4.112 201 HE ARG 23 HE ARG 23 -7.688 -15.093 5.159 202 1HH1 ARG 23 1HH2 ARG 23 -4.249 -15.354 4.678 203 2HH1 ARG 23 2HH2 ARG 23 -4.250 -17.081 4.762 204 1HH2 ARG 23 1HH1 ARG 23 -7.667 -17.349 5.269 205 2HH2 ARG 23 2HH1 ARG 23 -6.173 -18.206 5.094 206 HA PRO 24 HA PRO 24 -2.446 -8.145 8.482 207 1HB PRO 24 2HB PRO 24 -0.648 -9.265 10.216 208 2HB PRO 24 1HB PRO 24 -2.266 -8.729 10.711 209 1HG PRO 24 2HG PRO 24 -1.273 -11.471 10.132 210 2HG PRO 24 1HG PRO 24 -2.421 -10.920 11.361 211 1HD PRO 24 2HD PRO 24 -3.152 -12.137 9.022 212 2HD PRO 24 1HD PRO 24 -4.196 -11.026 9.934 213 H ARG 25 H ARG 25 -0.833 -7.490 7.116 214 HA ARG 25 HA ARG 25 1.327 -9.409 6.349 215 1HB ARG 25 2HB ARG 25 -0.653 -7.943 4.616 216 2HB ARG 25 1HB ARG 25 0.936 -8.359 3.977 217 1HG ARG 25 2HG ARG 25 0.425 -10.564 3.818 218 2HG ARG 25 1HG ARG 25 -0.400 -10.578 5.377 219 1HD ARG 25 2HD ARG 25 -2.452 -10.155 4.441 220 2HD ARG 25 1HD ARG 25 -1.776 -9.072 3.210 221 HE ARG 25 HE ARG 25 -2.088 -11.971 2.957 222 1HH1 ARG 25 1HH2 ARG 25 -0.304 -9.159 1.936 223 2HH1 ARG 25 2HH2 ARG 25 0.136 -9.846 0.410 224 1HH2 ARG 25 1HH1 ARG 25 -1.524 -12.844 0.958 225 2HH2 ARG 25 2HH1 ARG 25 -0.552 -11.928 -0.140 226 H TYR 26 H TYR 26 3.338 -8.372 6.064 227 HA TYR 26 HA TYR 26 3.598 -5.652 7.098 228 1HB TYR 26 2HB TYR 26 5.170 -7.610 7.436 229 2HB TYR 26 1HB TYR 26 5.647 -7.438 5.748 230 HD1 TYR 26 1HD TYR 26 7.935 -6.804 6.063 231 HD2 TYR 26 2HD TYR 26 4.800 -4.622 8.034 232 HE1 TYR 26 1HE TYR 26 9.556 -5.040 6.694 233 HE2 TYR 26 2HE TYR 26 6.423 -2.858 8.660 234 HH TYR 26 HH TYR 26 9.252 -2.992 8.980 235 H PHE 27 H PHE 27 3.327 -3.843 5.840 236 HA PHE 27 HA PHE 27 3.835 -4.082 2.889 237 1HB PHE 27 2HB PHE 27 1.790 -2.765 4.601 238 2HB PHE 27 1HB PHE 27 2.287 -1.879 3.160 239 HD1 PHE 27 1HD PHE 27 1.060 -5.207 4.328 240 HD2 PHE 27 2HD PHE 27 1.504 -2.506 1.017 241 HE1 PHE 27 1HE PHE 27 -0.341 -6.695 2.927 242 HE2 PHE 27 2HE PHE 27 0.102 -3.995 -0.384 243 HZ PHE 27 HZ PHE 27 -0.820 -6.089 0.571 244 H LEU 28 H LEU 28 5.034 -2.428 1.872 245 HA LEU 28 HA LEU 28 6.319 -0.397 3.673 246 1HB LEU 28 2HB LEU 28 7.452 -2.696 2.384 247 2HB LEU 28 1HB LEU 28 8.140 -1.250 1.647 248 HG LEU 28 HG LEU 28 8.276 -0.503 4.227 249 1HD1 LEU 28 1HD1 LEU 28 8.227 -3.516 4.188 250 2HD1 LEU 28 2HD1 LEU 28 7.416 -2.413 5.299 251 3HD1 LEU 28 3HD1 LEU 28 9.161 -2.646 5.406 252 1HD2 LEU 28 1HD2 LEU 28 10.633 -1.363 4.187 253 2HD2 LEU 28 2HD2 LEU 28 10.174 -0.533 2.701 254 3HD2 LEU 28 3HD2 LEU 28 10.227 -2.294 2.745 255 H LEU 29 H LEU 29 6.343 1.636 2.809 256 HA LEU 29 HA LEU 29 5.409 2.015 -0.004 257 1HB LEU 29 2HB LEU 29 4.416 3.093 2.159 258 2HB LEU 29 1HB LEU 29 5.834 4.139 2.105 259 HG LEU 29 HG LEU 29 4.202 3.786 -0.388 260 1HD1 LEU 29 1HD1 LEU 29 2.856 4.434 1.854 261 2HD1 LEU 29 2HD1 LEU 29 2.479 5.146 0.285 262 3HD1 LEU 29 3HD1 LEU 29 3.484 6.028 1.435 263 1HD2 LEU 29 1HD2 LEU 29 5.439 5.549 -1.090 264 2HD2 LEU 29 2HD2 LEU 29 6.449 5.264 0.328 265 3HD2 LEU 29 3HD2 LEU 29 5.142 6.446 0.400 266 H LYS 30 H LYS 30 6.906 2.665 -1.547 267 HA LYS 30 HA LYS 30 9.633 3.444 -0.589 268 1HB LYS 30 2HB LYS 30 8.475 2.069 -2.991 269 2HB LYS 30 1HB LYS 30 10.039 2.869 -3.138 270 1HG LYS 30 2HG LYS 30 9.814 1.254 -0.702 271 2HG LYS 30 1HG LYS 30 9.637 0.302 -2.176 272 1HD LYS 30 2HD LYS 30 11.749 1.913 -2.839 273 2HD LYS 30 1HD LYS 30 12.014 1.697 -1.109 274 1HE LYS 30 2HE LYS 30 11.690 -0.814 -1.502 275 2HE LYS 30 1HE LYS 30 11.809 -0.455 -3.235 276 1HZ LYS 30 1HZ LYS 30 13.823 0.096 -1.125 277 2HZ LYS 30 2HZ LYS 30 13.891 0.821 -2.661 278 3HZ LYS 30 3HZ LYS 30 14.006 -0.868 -2.508 279 H SER 31 H SER 31 10.804 5.016 -2.047 280 HA SER 31 HA SER 31 9.297 7.482 -2.338 281 1HB SER 31 2HB SER 31 11.876 6.799 -1.889 282 2HB SER 31 1HB SER 31 11.962 7.116 -3.619 283 HG SER 31 HG SER 31 12.194 8.920 -1.932 284 H ASP 32 H ASP 32 9.563 4.793 -4.400 285 HA ASP 32 HA ASP 32 9.554 6.264 -6.947 286 1HB ASP 32 2HB ASP 32 10.646 4.106 -6.767 287 2HB ASP 32 1HB ASP 32 9.189 3.371 -6.103 288 H GLY 33 H GLY 33 7.235 5.707 -4.562 289 1HA GLY 33 2HA GLY 33 4.934 6.282 -4.657 290 2HA GLY 33 1HA GLY 33 5.047 6.354 -6.417 291 H SER 34 H SER 34 6.061 3.681 -4.305 292 HA SER 34 HA SER 34 3.836 2.028 -5.424 293 1HB SER 34 2HB SER 34 5.769 0.240 -5.569 294 2HB SER 34 1HB SER 34 5.577 1.432 -6.850 295 HG SER 34 HG SER 34 7.453 2.213 -6.329 296 H PHE 35 H PHE 35 3.223 0.264 -4.102 297 HA PHE 35 HA PHE 35 4.291 0.323 -1.295 298 1HB PHE 35 2HB PHE 35 1.760 0.902 -2.311 299 2HB PHE 35 1HB PHE 35 1.599 -0.760 -1.745 300 HD1 PHE 35 1HD PHE 35 3.219 -0.991 0.592 301 HD2 PHE 35 2HD PHE 35 0.920 2.387 -0.736 302 HE1 PHE 35 1HE PHE 35 3.057 -0.182 2.928 303 HE2 PHE 35 2HE PHE 35 0.758 3.195 1.601 304 HZ PHE 35 HZ PHE 35 1.825 1.911 3.432 305 H ILE 36 H ILE 36 5.361 -1.571 -0.818 306 HA ILE 36 HA ILE 36 4.689 -4.018 -2.408 307 HB ILE 36 HB ILE 36 7.088 -2.963 -0.917 308 1HG1 ILE 36 2HG1 ILE 36 8.163 -3.832 -3.079 309 2HG1 ILE 36 1HG1 ILE 36 6.523 -4.097 -3.668 310 1HG2 ILE 36 1HG2 ILE 36 8.127 -5.266 -1.341 311 2HG2 ILE 36 2HG2 ILE 36 6.479 -5.861 -1.539 312 3HG2 ILE 36 3HG2 ILE 36 6.986 -5.164 0.000 313 1HD1 ILE 36 1HD1 ILE 36 6.062 -1.841 -3.813 314 2HD1 ILE 36 2HD1 ILE 36 7.802 -1.791 -4.095 315 3HD1 ILE 36 3HD1 ILE 36 7.158 -1.423 -2.496 316 H GLY 37 H GLY 37 3.518 -5.572 -1.409 317 1HA GLY 37 2HA GLY 37 3.242 -5.484 1.558 318 2HA GLY 37 1HA GLY 37 2.059 -6.185 0.456 319 H TYR 38 H TYR 38 3.898 -7.199 2.766 320 HA TYR 38 HA TYR 38 4.939 -9.618 1.319 321 1HB TYR 38 2HB TYR 38 6.119 -7.722 3.126 322 2HB TYR 38 1HB TYR 38 6.072 -9.292 3.926 323 HD1 TYR 38 1HD TYR 38 6.739 -11.344 2.323 324 HD2 TYR 38 2HD TYR 38 7.951 -7.258 1.767 325 HE1 TYR 38 1HE TYR 38 8.668 -12.101 0.960 326 HE2 TYR 38 2HE TYR 38 9.880 -8.018 0.406 327 HH TYR 38 HH TYR 38 11.275 -10.253 0.279 328 H LYS 39 H LYS 39 4.349 -11.641 2.176 329 HA LYS 39 HA LYS 39 1.938 -11.817 3.750 330 1HB LYS 39 2HB LYS 39 2.338 -14.230 3.556 331 2HB LYS 39 1HB LYS 39 2.690 -13.444 2.020 332 1HG LYS 39 2HG LYS 39 5.102 -13.451 2.565 333 2HG LYS 39 1HG LYS 39 4.751 -14.233 4.107 334 1HD LYS 39 2HD LYS 39 4.048 -16.235 3.070 335 2HD LYS 39 1HD LYS 39 3.843 -15.453 1.501 336 1HE LYS 39 2HE LYS 39 6.196 -15.316 1.139 337 2HE LYS 39 1HE LYS 39 6.555 -15.662 2.841 338 1HZ LYS 39 1HZ LYS 39 6.773 -17.632 1.365 339 2HZ LYS 39 2HZ LYS 39 5.110 -17.531 1.033 340 3HZ LYS 39 3HZ LYS 39 5.647 -17.846 2.615 341 H GLU 40 H GLU 40 5.379 -12.071 4.582 342 HA GLU 40 HA GLU 40 4.768 -11.725 7.434 343 1HB GLU 40 2HB GLU 40 4.410 -14.176 6.860 344 2HB GLU 40 1HB GLU 40 6.121 -14.261 6.454 345 1HG GLU 40 2HG GLU 40 5.523 -15.007 8.812 346 2HG GLU 40 1HG GLU 40 6.775 -13.773 8.708 347 H ARG 41 H ARG 41 6.888 -11.628 8.700 348 HA ARG 41 HA ARG 41 8.782 -9.854 7.676 349 1HB ARG 41 2HB ARG 41 8.777 -11.981 9.801 350 2HB ARG 41 1HB ARG 41 10.272 -11.104 9.475 351 1HG ARG 41 2HG ARG 41 9.517 -9.354 10.666 352 2HG ARG 41 1HG ARG 41 8.143 -9.199 9.573 353 1HD ARG 41 2HD ARG 41 6.716 -10.113 11.088 354 2HD ARG 41 1HD ARG 41 7.840 -11.431 11.465 355 HE ARG 41 HE ARG 41 7.707 -8.830 12.835 356 1HH1 ARG 41 1HH2 ARG 41 9.577 -11.675 12.112 357 2HH1 ARG 41 2HH2 ARG 41 10.589 -11.508 13.502 358 1HH2 ARG 41 1HH1 ARG 41 9.038 -8.620 14.642 359 2HH2 ARG 41 2HH1 ARG 41 10.288 -9.783 14.931 360 HA PRO 42 HA PRO 42 10.779 -12.818 4.893 361 1HB PRO 42 2HB PRO 42 11.563 -10.983 3.040 362 2HB PRO 42 1HB PRO 42 9.921 -11.650 3.102 363 1HG PRO 42 2HG PRO 42 10.887 -8.981 3.860 364 2HG PRO 42 1HG PRO 42 9.270 -9.504 3.383 365 1HD PRO 42 2HD PRO 42 10.215 -8.996 6.012 366 2HD PRO 42 1HD PRO 42 8.629 -9.640 5.536 367 H GLU 43 H GLU 43 13.008 -13.261 4.525 368 HA GLU 43 HA GLU 43 15.127 -11.339 4.951 369 1HB GLU 43 2HB GLU 43 14.286 -11.603 7.269 370 2HB GLU 43 1HB GLU 43 14.524 -13.346 7.155 371 1HG GLU 43 2HG GLU 43 16.995 -12.396 6.408 372 2HG GLU 43 1HG GLU 43 16.500 -11.206 7.611 373 H ALA 44 H ALA 44 14.416 -14.813 5.475 374 HA ALA 44 HA ALA 44 15.347 -16.750 4.514 375 1HB ALA 44 1HB ALA 44 16.824 -15.089 2.513 376 2HB ALA 44 2HB ALA 44 15.062 -15.023 2.498 377 3HB ALA 44 3HB ALA 44 15.889 -16.564 2.272 378 HA PRO 45 HA PRO 45 19.315 -16.896 6.427 379 1HB PRO 45 2HB PRO 45 20.149 -19.351 5.545 380 2HB PRO 45 1HB PRO 45 18.913 -19.142 6.801 381 1HG PRO 45 2HG PRO 45 18.590 -19.776 3.913 382 2HG PRO 45 1HG PRO 45 17.684 -20.377 5.310 383 1HD PRO 45 2HD PRO 45 16.761 -18.435 3.623 384 2HD PRO 45 1HD PRO 45 16.262 -18.589 5.321 385 H ASP 46 H ASP 46 19.096 -17.677 2.954 386 HA ASP 46 HA ASP 46 21.427 -15.991 2.359 387 1HB ASP 46 2HB ASP 46 22.549 -18.080 1.253 388 2HB ASP 46 1HB ASP 46 22.686 -17.884 2.998 389 H GLN 47 H GLN 47 18.772 -15.777 1.468 390 HA GLN 47 HA GLN 47 19.116 -15.959 -1.429 391 1HB GLN 47 2HB GLN 47 18.474 -18.250 -0.955 392 2HB GLN 47 1HB GLN 47 17.162 -17.715 0.096 393 1HG GLN 47 2HG GLN 47 16.120 -16.585 -1.903 394 2HG GLN 47 1HG GLN 47 17.356 -17.342 -2.907 395 1HE2 GLN 47 1HE2 GLN 47 14.238 -17.809 -1.637 396 2HE2 GLN 47 2HE2 GLN 47 14.131 -19.487 -1.865 397 H THR 48 H THR 48 18.584 -13.767 -1.551 398 HA THR 48 HA THR 48 16.620 -12.349 -0.092 399 HB THR 48 HB THR 48 18.284 -11.235 -1.439 400 HG1 THR 48 1HG THR 48 16.413 -10.060 -1.365 401 1HG2 THR 48 1HG2 THR 48 18.925 -12.370 -3.287 402 2HG2 THR 48 2HG2 THR 48 17.603 -11.524 -4.093 403 3HG2 THR 48 3HG2 THR 48 17.354 -13.151 -3.459 404 H LEU 49 H LEU 49 14.413 -11.850 -0.550 405 HA LEU 49 HA LEU 49 13.064 -13.729 -2.463 406 1HB LEU 49 2HB LEU 49 12.444 -12.727 0.308 407 2HB LEU 49 1HB LEU 49 11.136 -13.292 -0.731 408 HG LEU 49 HG LEU 49 13.545 -15.034 -0.560 409 1HD1 LEU 49 1HD1 LEU 49 13.124 -14.271 1.802 410 2HD1 LEU 49 2HD1 LEU 49 12.893 -16.002 1.561 411 3HD1 LEU 49 3HD1 LEU 49 11.494 -14.932 1.670 412 1HD2 LEU 49 1HD2 LEU 49 11.325 -16.579 -0.202 413 2HD2 LEU 49 2HD2 LEU 49 11.961 -16.134 -1.785 414 3HD2 LEU 49 3HD2 LEU 49 10.633 -15.214 -1.078 415 HA PRO 50 HA PRO 50 11.423 -10.097 -4.381 416 1HB PRO 50 2HB PRO 50 9.376 -11.263 -5.773 417 2HB PRO 50 1HB PRO 50 11.079 -11.427 -6.245 418 1HG PRO 50 2HG PRO 50 9.308 -13.359 -4.861 419 2HG PRO 50 1HG PRO 50 10.613 -13.649 -6.019 420 1HD PRO 50 2HD PRO 50 10.819 -13.983 -3.284 421 2HD PRO 50 1HD PRO 50 12.192 -13.753 -4.391 422 HA PRO 51 HA PRO 51 8.017 -8.754 -1.928 423 1HB PRO 51 2HB PRO 51 6.574 -7.210 -3.679 424 2HB PRO 51 1HB PRO 51 8.116 -6.695 -2.968 425 1HG PRO 51 2HG PRO 51 7.572 -7.862 -5.658 426 2HG PRO 51 1HG PRO 51 8.648 -6.529 -5.206 427 1HD PRO 51 2HD PRO 51 9.567 -9.017 -5.712 428 2HD PRO 51 1HD PRO 51 10.333 -7.944 -4.517 429 H LEU 52 H LEU 52 5.918 -9.443 -1.383 430 HA LEU 52 HA LEU 52 4.773 -11.620 -2.991 431 1HB LEU 52 2HB LEU 52 4.936 -10.942 -0.310 432 2HB LEU 52 1HB LEU 52 3.257 -10.569 -0.690 433 HG LEU 52 HG LEU 52 3.440 -12.889 0.065 434 1HD1 LEU 52 1HD1 LEU 52 3.058 -12.937 -2.934 435 2HD1 LEU 52 2HD1 LEU 52 1.877 -12.216 -1.840 436 3HD1 LEU 52 3HD1 LEU 52 2.256 -13.935 -1.722 437 1HD2 LEU 52 1HD2 LEU 52 4.750 -14.518 -1.309 438 2HD2 LEU 52 2HD2 LEU 52 5.772 -13.321 -0.516 439 3HD2 LEU 52 3HD2 LEU 52 5.404 -13.167 -2.234 440 H ASN 53 H ASN 53 3.717 -8.375 -1.913 441 HA ASN 53 HA ASN 53 1.638 -8.414 -4.086 442 1HB ASN 53 2HB ASN 53 1.531 -7.949 -1.200 443 2HB ASN 53 1HB ASN 53 0.852 -6.597 -2.103 444 1HD2 ASN 53 1HD2 ASN 53 0.756 -10.215 -2.368 445 2HD2 ASN 53 2HD2 ASN 53 -0.916 -10.285 -2.648 446 H ASN 54 H ASN 54 1.686 -6.625 -5.459 447 HA ASN 54 HA ASN 54 3.601 -4.421 -4.736 448 1HB ASN 54 2HB ASN 54 3.168 -6.101 -7.153 449 2HB ASN 54 1HB ASN 54 3.516 -4.398 -7.451 450 1HD2 ASN 54 1HD2 ASN 54 5.677 -3.703 -7.182 451 2HD2 ASN 54 2HD2 ASN 54 6.919 -4.690 -6.580 452 H PHE 55 H PHE 55 2.714 -2.403 -4.690 453 HA PHE 55 HA PHE 55 0.076 -1.949 -6.063 454 1HB PHE 55 2HB PHE 55 0.984 -1.677 -3.275 455 2HB PHE 55 1HB PHE 55 0.169 -0.238 -3.885 456 HD1 PHE 55 1HD PHE 55 -0.182 -3.848 -3.187 457 HD2 PHE 55 2HD PHE 55 -2.175 -0.276 -4.497 458 HE1 PHE 55 1HE PHE 55 -2.375 -4.977 -2.930 459 HE2 PHE 55 2HE PHE 55 -4.367 -1.405 -4.241 460 HZ PHE 55 HZ PHE 55 -4.468 -3.757 -3.457 461 H SER 56 H SER 56 -0.237 0.225 -6.869 462 HA SER 56 HA SER 56 2.278 1.862 -7.071 463 1HB SER 56 2HB SER 56 0.078 1.208 -9.046 464 2HB SER 56 1HB SER 56 1.203 2.538 -9.310 465 HG SER 56 HG SER 56 2.755 1.148 -9.701 466 H VAL 57 H VAL 57 2.058 3.880 -6.173 467 HA VAL 57 HA VAL 57 -0.720 4.979 -5.844 468 HB VAL 57 HB VAL 57 0.622 4.142 -3.822 469 1HG1 VAL 57 1HG1 VAL 57 2.652 5.642 -4.924 470 2HG1 VAL 57 2HG1 VAL 57 2.600 5.092 -3.250 471 3HG1 VAL 57 3HG1 VAL 57 2.045 6.714 -3.663 472 1HG2 VAL 57 1HG2 VAL 57 -1.326 5.789 -3.801 473 2HG2 VAL 57 2HG2 VAL 57 -0.122 7.074 -3.712 474 3HG2 VAL 57 3HG2 VAL 57 -0.235 5.881 -2.419 475 H ALA 58 H ALA 58 1.215 5.442 -8.119 476 HA ALA 58 HA ALA 58 2.213 8.188 -7.780 477 1HB ALA 58 1HB ALA 58 1.978 6.235 -10.092 478 2HB ALA 58 2HB ALA 58 3.430 6.641 -9.178 479 3HB ALA 58 3HB ALA 58 2.705 7.834 -10.257 480 H GLU 59 H GLU 59 -0.214 6.674 -9.958 481 HA GLU 59 HA GLU 59 -1.672 9.299 -10.021 482 1HB GLU 59 2HB GLU 59 -2.365 8.585 -12.295 483 2HB GLU 59 1HB GLU 59 -0.609 8.623 -12.149 484 1HG GLU 59 2HG GLU 59 -1.533 6.026 -11.343 485 2HG GLU 59 1HG GLU 59 -2.253 6.420 -12.901 486 H CYS 60 H CYS 60 -2.183 7.440 -7.929 487 HA CYS 60 HA CYS 60 -4.812 6.233 -8.732 488 1HB CYS 60 2HB CYS 60 -2.562 5.067 -7.644 489 2HB CYS 60 1HB CYS 60 -3.534 5.390 -6.209 490 H GLN 61 H GLN 61 -6.573 6.473 -7.207 491 HA GLN 61 HA GLN 61 -6.406 8.967 -5.593 492 1HB GLN 61 2HB GLN 61 -8.218 8.395 -7.315 493 2HB GLN 61 1HB GLN 61 -8.797 7.192 -6.162 494 1HG GLN 61 2HG GLN 61 -9.051 8.973 -4.451 495 2HG GLN 61 1HG GLN 61 -8.518 10.167 -5.634 496 1HE2 GLN 61 1HE2 GLN 61 -10.878 7.419 -5.733 497 2HE2 GLN 61 2HE2 GLN 61 -12.136 8.346 -6.393 498 H LEU 62 H LEU 62 -6.774 8.969 -3.336 499 HA LEU 62 HA LEU 62 -6.878 6.272 -2.014 500 1HB LEU 62 2HB LEU 62 -5.009 8.449 -1.899 501 2HB LEU 62 1HB LEU 62 -5.774 8.297 -0.319 502 HG LEU 62 HG LEU 62 -3.795 6.876 -0.390 503 1HD1 LEU 62 1HD1 LEU 62 -6.047 4.918 -0.726 504 2HD1 LEU 62 2HD1 LEU 62 -6.113 6.089 0.590 505 3HD1 LEU 62 3HD1 LEU 62 -4.769 4.953 0.490 506 1HD2 LEU 62 1HD2 LEU 62 -5.105 5.428 -2.708 507 2HD2 LEU 62 2HD2 LEU 62 -3.501 5.138 -2.036 508 3HD2 LEU 62 3HD2 LEU 62 -3.833 6.634 -2.909 509 H MET 63 H MET 63 -8.337 6.034 -0.303 510 HA MET 63 HA MET 63 -9.863 8.423 0.636 511 1HB MET 63 2HB MET 63 -11.074 7.500 -1.282 512 2HB MET 63 1HB MET 63 -10.999 5.883 -0.584 513 1HG MET 63 2HG MET 63 -12.279 6.788 1.407 514 2HG MET 63 1HG MET 63 -12.512 8.277 0.492 515 1HE MET 63 1HE MET 63 -14.185 5.562 1.731 516 2HE MET 63 2HE MET 63 -13.244 4.445 0.747 517 3HE MET 63 3HE MET 63 -14.975 4.610 0.465 518 H LYS 64 H LYS 64 -10.756 8.121 2.750 519 HA LYS 64 HA LYS 64 -9.719 5.722 4.221 520 1HB LYS 64 2HB LYS 64 -10.594 8.514 5.048 521 2HB LYS 64 1HB LYS 64 -10.172 7.256 6.208 522 1HG LYS 64 2HG LYS 64 -8.097 8.231 5.993 523 2HG LYS 64 1HG LYS 64 -7.998 7.095 4.648 524 1HD LYS 64 2HD LYS 64 -7.571 8.904 3.353 525 2HD LYS 64 1HD LYS 64 -9.286 9.274 3.519 526 1HE LYS 64 2HE LYS 64 -8.483 11.261 4.360 527 2HE LYS 64 1HE LYS 64 -8.340 10.319 5.856 528 1HZ LYS 64 1HZ LYS 64 -6.168 10.803 5.703 529 2HZ LYS 64 2HZ LYS 64 -6.270 11.246 4.069 530 3HZ LYS 64 3HZ LYS 64 -6.111 9.612 4.499 531 H THR 65 H THR 65 -11.198 4.403 5.365 532 HA THR 65 HA THR 65 -14.039 5.220 5.561 533 HB THR 65 HB THR 65 -13.964 4.357 3.328 534 HG1 THR 65 1HG THR 65 -15.630 3.187 3.753 535 1HG2 THR 65 1HG2 THR 65 -13.068 1.881 3.113 536 2HG2 THR 65 2HG2 THR 65 -12.140 2.317 4.547 537 3HG2 THR 65 3HG2 THR 65 -11.947 3.241 3.058 538 H GLU 66 H GLU 66 -15.329 3.492 6.718 539 HA GLU 66 HA GLU 66 -13.610 1.980 8.666 540 1HB GLU 66 2HB GLU 66 -16.363 3.229 9.000 541 2HB GLU 66 1HB GLU 66 -15.426 2.441 10.270 542 1HG GLU 66 2HG GLU 66 -13.569 4.169 9.595 543 2HG GLU 66 1HG GLU 66 -14.920 5.066 8.900 544 H ARG 67 H ARG 67 -14.939 1.186 5.992 545 HA ARG 67 HA ARG 67 -16.426 -1.206 7.033 546 1HB ARG 67 2HB ARG 67 -17.838 0.651 6.017 547 2HB ARG 67 1HB ARG 67 -17.001 0.354 4.493 548 1HG ARG 67 2HG ARG 67 -17.725 -2.076 4.700 549 2HG ARG 67 1HG ARG 67 -18.761 -1.568 6.033 550 1HD ARG 67 2HD ARG 67 -20.337 -0.907 4.552 551 2HD ARG 67 1HD ARG 67 -19.185 0.229 3.825 552 HE ARG 67 HE ARG 67 -19.677 -2.556 2.926 553 1HH1 ARG 67 1HH2 ARG 67 -17.817 0.384 2.684 554 2HH1 ARG 67 2HH2 ARG 67 -17.175 -0.017 1.129 555 1HH2 ARG 67 1HH1 ARG 67 -18.817 -3.061 0.904 556 2HH2 ARG 67 2HH1 ARG 67 -17.738 -1.952 0.125 557 HA PRO 68 HA PRO 68 -17.125 -3.058 6.291 558 1HB PRO 68 2HB PRO 68 -16.078 -5.526 6.828 559 2HB PRO 68 1HB PRO 68 -16.866 -5.121 5.290 560 1HG PRO 68 2HG PRO 68 -13.971 -5.298 5.944 561 2HG PRO 68 1HG PRO 68 -14.830 -5.786 4.475 562 1HD PRO 68 2HD PRO 68 -13.382 -3.482 4.690 563 2HD PRO 68 1HD PRO 68 -14.751 -3.688 3.578 564 H ARG 69 H ARG 69 -13.739 -2.881 7.219 565 HA ARG 69 HA ARG 69 -14.535 -3.013 10.111 566 1HB ARG 69 2HB ARG 69 -12.462 -4.258 8.512 567 2HB ARG 69 1HB ARG 69 -11.743 -3.319 9.818 568 1HG ARG 69 2HG ARG 69 -13.403 -4.463 11.379 569 2HG ARG 69 1HG ARG 69 -13.774 -5.550 10.041 570 1HD ARG 69 2HD ARG 69 -12.035 -6.804 10.822 571 2HD ARG 69 1HD ARG 69 -11.000 -5.567 10.090 572 HE ARG 69 HE ARG 69 -12.011 -5.304 12.900 573 1HH1 ARG 69 1HH2 ARG 69 -9.425 -5.171 10.545 574 2HH1 ARG 69 2HH2 ARG 69 -8.277 -4.570 11.685 575 1HH2 ARG 69 1HH1 ARG 69 -10.486 -4.538 14.357 576 2HH2 ARG 69 2HH1 ARG 69 -8.867 -4.221 13.830 577 HA PRO 70 HA PRO 70 -13.186 1.127 10.664 578 1HB PRO 70 2HB PRO 70 -11.797 1.021 13.024 579 2HB PRO 70 1HB PRO 70 -13.567 0.903 12.928 580 1HG PRO 70 2HG PRO 70 -11.540 -1.269 13.202 581 2HG PRO 70 1HG PRO 70 -13.104 -1.077 14.014 582 1HD PRO 70 2HD PRO 70 -12.756 -2.750 11.923 583 2HD PRO 70 1HD PRO 70 -14.289 -1.898 12.219 584 H ASN 71 H ASN 71 -11.308 2.551 10.617 585 HA ASN 71 HA ASN 71 -9.158 3.181 9.885 586 1HB ASN 71 2HB ASN 71 -8.348 0.496 11.041 587 2HB ASN 71 1HB ASN 71 -7.356 1.945 10.903 588 1HD2 ASN 71 1HD2 ASN 71 -8.828 3.966 11.989 589 2HD2 ASN 71 2HD2 ASN 71 -9.307 3.604 13.577 590 H THR 72 H THR 72 -10.556 2.334 7.773 591 HA THR 72 HA THR 72 -8.833 0.316 6.370 592 HB THR 72 HB THR 72 -11.746 1.113 6.095 593 HG1 THR 72 1HG THR 72 -11.959 -0.511 7.381 594 1HG2 THR 72 1HG2 THR 72 -9.956 -0.513 4.310 595 2HG2 THR 72 2HG2 THR 72 -11.185 0.671 3.868 596 3HG2 THR 72 3HG2 THR 72 -11.665 -0.924 4.448 597 H PHE 73 H PHE 73 -8.150 0.793 4.253 598 HA PHE 73 HA PHE 73 -8.453 3.652 3.379 599 1HB PHE 73 2HB PHE 73 -6.186 1.948 3.956 600 2HB PHE 73 1HB PHE 73 -6.141 2.428 2.261 601 HD1 PHE 73 1HD PHE 73 -4.755 3.294 5.200 602 HD2 PHE 73 2HD PHE 73 -7.194 5.096 2.157 603 HE1 PHE 73 1HE PHE 73 -3.916 5.532 5.849 604 HE2 PHE 73 2HE PHE 73 -6.356 7.334 2.812 605 HZ PHE 73 HZ PHE 73 -4.715 7.552 4.657 606 H VAL 74 H VAL 74 -9.379 3.877 1.377 607 HA VAL 74 HA VAL 74 -9.609 1.457 -0.382 608 HB VAL 74 HB VAL 74 -11.285 3.961 -0.008 609 1HG1 VAL 74 1HG1 VAL 74 -11.070 2.142 -2.300 610 2HG1 VAL 74 2HG1 VAL 74 -11.858 3.715 -2.184 611 3HG1 VAL 74 3HG1 VAL 74 -12.712 2.262 -1.666 612 1HG2 VAL 74 1HG2 VAL 74 -12.678 2.654 1.220 613 2HG2 VAL 74 2HG2 VAL 74 -11.300 1.562 1.355 614 3HG2 VAL 74 3HG2 VAL 74 -12.521 1.293 0.110 615 H ILE 75 H ILE 75 -8.283 1.547 -2.156 616 HA ILE 75 HA ILE 75 -7.531 4.256 -3.212 617 HB ILE 75 HB ILE 75 -5.656 3.028 -2.226 618 1HG1 ILE 75 2HG1 ILE 75 -5.331 2.696 -5.208 619 2HG1 ILE 75 1HG1 ILE 75 -5.471 4.300 -4.489 620 1HG2 ILE 75 1HG2 ILE 75 -6.519 0.748 -2.397 621 2HG2 ILE 75 2HG2 ILE 75 -4.950 0.844 -3.195 622 3HG2 ILE 75 3HG2 ILE 75 -6.427 0.820 -4.156 623 1HD1 ILE 75 1HD1 ILE 75 -3.271 4.212 -4.013 624 2HD1 ILE 75 2HD1 ILE 75 -3.181 2.534 -4.549 625 3HD1 ILE 75 3HD1 ILE 75 -3.617 2.905 -2.881 626 H ARG 76 H ARG 76 -8.142 4.679 -5.312 627 HA ARG 76 HA ARG 76 -9.054 2.350 -6.981 628 1HB ARG 76 2HB ARG 76 -10.186 5.158 -6.731 629 2HB ARG 76 1HB ARG 76 -10.797 3.919 -7.827 630 1HG ARG 76 2HG ARG 76 -10.692 2.627 -5.355 631 2HG ARG 76 1HG ARG 76 -11.267 4.246 -4.961 632 1HD ARG 76 2HD ARG 76 -12.477 2.698 -7.260 633 2HD ARG 76 1HD ARG 76 -13.058 2.480 -5.597 634 HE ARG 76 HE ARG 76 -12.848 5.280 -6.115 635 1HH1 ARG 76 1HH2 ARG 76 -14.718 2.492 -7.029 636 2HH1 ARG 76 2HH2 ARG 76 -16.133 3.414 -7.401 637 1HH2 ARG 76 1HH1 ARG 76 -14.698 6.474 -6.605 638 2HH2 ARG 76 2HH1 ARG 76 -16.123 5.664 -7.163 639 H CYS 77 H CYS 77 -8.198 2.254 -9.025 640 HA CYS 77 HA CYS 77 -6.629 4.616 -10.025 641 1HB CYS 77 2HB CYS 77 -5.981 1.809 -9.541 642 2HB CYS 77 1HB CYS 77 -5.633 2.278 -11.204 643 H LEU 78 H LEU 78 -6.707 4.943 -12.346 644 HA LEU 78 HA LEU 78 -9.196 3.913 -13.600 645 1HB LEU 78 2HB LEU 78 -8.820 5.743 -15.171 646 2HB LEU 78 1HB LEU 78 -8.594 6.343 -13.530 647 HG LEU 78 HG LEU 78 -6.066 5.371 -14.353 648 1HD1 LEU 78 1HD1 LEU 78 -7.363 7.134 -16.456 649 2HD1 LEU 78 2HD1 LEU 78 -6.901 5.447 -16.679 650 3HD1 LEU 78 3HD1 LEU 78 -5.661 6.672 -16.409 651 1HD2 LEU 78 1HD2 LEU 78 -5.374 7.550 -13.835 652 2HD2 LEU 78 2HD2 LEU 78 -6.880 7.416 -12.927 653 3HD2 LEU 78 3HD2 LEU 78 -6.853 8.276 -14.467 654 H GLN 79 H GLN 79 -6.341 2.481 -13.353 655 HA GLN 79 HA GLN 79 -5.919 1.915 -16.252 656 1HB GLN 79 2HB GLN 79 -4.290 2.226 -13.920 657 2HB GLN 79 1HB GLN 79 -4.083 0.575 -14.504 658 1HG GLN 79 2HG GLN 79 -3.992 2.903 -16.418 659 2HG GLN 79 1HG GLN 79 -2.559 2.433 -15.503 660 1HE2 GLN 79 1HE2 GLN 79 -3.980 1.941 -18.458 661 2HE2 GLN 79 2HE2 GLN 79 -3.391 0.385 -18.802 662 H TRP 80 H TRP 80 -8.251 0.817 -14.698 663 HA TRP 80 HA TRP 80 -9.403 -1.218 -14.475 664 1HB TRP 80 2HB TRP 80 -7.214 -2.165 -16.360 665 2HB TRP 80 1HB TRP 80 -8.798 -2.906 -16.144 666 HD1 TRP 80 HD TRP 80 -7.210 -0.993 -18.607 667 HE1 TRP 80 1HE TRP 80 -8.797 0.608 -19.858 668 HE3 TRP 80 3HE TRP 80 -11.156 -0.939 -15.362 669 HZ2 TRP 80 2HZ TRP 80 -11.393 1.760 -19.528 670 HZ3 TRP 80 3HZ TRP 80 -13.168 0.418 -15.855 671 HH2 TRP 80 HH TRP 80 -13.293 1.766 -17.931 672 H THR 81 H THR 81 -6.348 -2.948 -14.958 673 HA THR 81 HA THR 81 -5.038 -4.252 -13.498 674 HB THR 81 HB THR 81 -6.244 -2.660 -11.231 675 HG1 THR 81 1HG THR 81 -5.687 -0.956 -12.325 676 1HG2 THR 81 1HG2 THR 81 -3.624 -3.998 -11.849 677 2HG2 THR 81 2HG2 THR 81 -4.648 -4.169 -10.423 678 3HG2 THR 81 3HG2 THR 81 -3.699 -2.701 -10.658 679 H THR 82 H THR 82 -5.248 -5.930 -11.775 680 HA THR 82 HA THR 82 -7.903 -7.209 -11.847 681 HB THR 82 HB THR 82 -6.623 -9.022 -10.650 682 HG1 THR 82 1HG THR 82 -4.541 -8.690 -10.121 683 1HG2 THR 82 1HG2 THR 82 -6.668 -8.931 -13.114 684 2HG2 THR 82 2HG2 THR 82 -5.116 -9.534 -12.532 685 3HG2 THR 82 3HG2 THR 82 -5.259 -7.871 -13.101 686 H VAL 83 H VAL 83 -8.260 -8.363 -9.425 687 HA VAL 83 HA VAL 83 -9.103 -7.948 -7.262 688 HB VAL 83 HB VAL 83 -6.771 -5.994 -7.308 689 1HG1 VAL 83 1HG1 VAL 83 -8.080 -5.519 -5.373 690 2HG1 VAL 83 2HG1 VAL 83 -6.780 -6.570 -4.810 691 3HG1 VAL 83 3HG1 VAL 83 -8.394 -7.230 -5.075 692 1HG2 VAL 83 1HG2 VAL 83 -5.928 -8.158 -7.879 693 2HG2 VAL 83 2HG2 VAL 83 -6.979 -8.956 -6.707 694 3HG2 VAL 83 3HG2 VAL 83 -5.624 -7.974 -6.151 695 H ILE 84 H ILE 84 -11.066 -6.976 -8.216 696 HA ILE 84 HA ILE 84 -11.360 -4.196 -8.825 697 HB ILE 84 HB ILE 84 -12.887 -6.114 -9.422 698 1HG1 ILE 84 2HG1 ILE 84 -15.039 -4.733 -8.646 699 2HG1 ILE 84 1HG1 ILE 84 -13.816 -3.535 -8.223 700 1HG2 ILE 84 1HG2 ILE 84 -12.805 -6.835 -6.850 701 2HG2 ILE 84 2HG2 ILE 84 -14.203 -7.196 -7.861 702 3HG2 ILE 84 3HG2 ILE 84 -14.237 -5.809 -6.772 703 1HD1 ILE 84 1HD1 ILE 84 -13.880 -4.880 -10.931 704 2HD1 ILE 84 2HD1 ILE 84 -13.011 -3.418 -10.463 705 3HD1 ILE 84 3HD1 ILE 84 -14.770 -3.393 -10.598 706 H GLU 85 H GLU 85 -11.980 -2.439 -7.534 707 HA GLU 85 HA GLU 85 -12.135 -1.135 -5.578 708 1HB GLU 85 2HB GLU 85 -14.196 -2.560 -5.485 709 2HB GLU 85 1HB GLU 85 -13.302 -3.730 -4.515 710 1HG GLU 85 2HG GLU 85 -14.510 -2.358 -2.965 711 2HG GLU 85 1HG GLU 85 -12.827 -1.834 -2.882 712 H ARG 86 H ARG 86 -9.697 -1.266 -5.487 713 HA ARG 86 HA ARG 86 -8.359 -3.215 -3.820 714 1HB ARG 86 2HB ARG 86 -7.764 -0.648 -5.205 715 2HB ARG 86 1HB ARG 86 -6.692 -1.078 -3.873 716 1HG ARG 86 2HG ARG 86 -5.593 -2.304 -5.442 717 2HG ARG 86 1HG ARG 86 -6.887 -3.473 -5.186 718 1HD ARG 86 2HD ARG 86 -7.042 -3.222 -7.497 719 2HD ARG 86 1HD ARG 86 -8.127 -1.915 -6.994 720 HE ARG 86 HE ARG 86 -6.433 -0.324 -7.530 721 1HH1 ARG 86 1HH2 ARG 86 -5.244 -3.594 -7.707 722 2HH1 ARG 86 2HH2 ARG 86 -3.793 -3.147 -8.530 723 1HH2 ARG 86 1HH1 ARG 86 -4.530 0.242 -8.607 724 2HH2 ARG 86 2HH1 ARG 86 -3.385 -0.984 -9.038 725 H THR 87 H THR 87 -9.125 -3.342 -1.703 726 HA THR 87 HA THR 87 -9.092 -0.804 -0.095 727 HB THR 87 HB THR 87 -10.849 -2.124 1.284 728 HG1 THR 87 1HG THR 87 -11.759 -3.831 0.313 729 1HG2 THR 87 1HG2 THR 87 -11.934 -0.434 0.227 730 2HG2 THR 87 2HG2 THR 87 -12.519 -1.712 -0.835 731 3HG2 THR 87 3HG2 THR 87 -11.125 -0.740 -1.308 732 H PHE 88 H PHE 88 -7.863 -0.874 1.769 733 HA PHE 88 HA PHE 88 -6.970 -3.530 2.791 734 1HB PHE 88 2HB PHE 88 -4.762 -3.134 2.319 735 2HB PHE 88 1HB PHE 88 -5.424 -2.058 1.096 736 HD1 PHE 88 1HD PHE 88 -4.870 0.230 1.116 737 HD2 PHE 88 2HD PHE 88 -4.303 -2.116 4.671 738 HE1 PHE 88 1HE PHE 88 -3.718 2.142 2.199 739 HE2 PHE 88 2HE PHE 88 -3.160 -0.203 5.750 740 HZ PHE 88 HZ PHE 88 -2.862 1.924 4.516 741 H HIS 89 H HIS 89 -6.673 -3.557 5.037 742 HA HIS 89 HA HIS 89 -7.588 -1.114 6.500 743 1HB HIS 89 2HB HIS 89 -7.367 -4.052 7.244 744 2HB HIS 89 1HB HIS 89 -7.986 -2.799 8.317 745 HD1 HIS 89 1HD HIS 89 -10.241 -4.319 8.178 746 HD2 HIS 89 2HD HIS 89 -9.209 -2.256 4.712 747 HE1 HIS 89 1HE HIS 89 -12.304 -4.300 6.711 748 H VAL 90 H VAL 90 -6.368 -0.402 8.382 749 HA VAL 90 HA VAL 90 -3.477 -1.158 8.253 750 HB VAL 90 HB VAL 90 -3.171 0.983 9.496 751 1HG1 VAL 90 1HG1 VAL 90 -3.016 1.205 7.151 752 2HG1 VAL 90 2HG1 VAL 90 -4.157 2.463 7.628 753 3HG1 VAL 90 3HG1 VAL 90 -4.747 0.956 6.926 754 1HG2 VAL 90 1HG2 VAL 90 -4.972 2.383 10.089 755 2HG2 VAL 90 2HG2 VAL 90 -5.547 0.779 10.541 756 3HG2 VAL 90 3HG2 VAL 90 -6.103 1.526 9.044 757 H ASP 91 H ASP 91 -2.318 -1.456 10.300 758 HA ASP 91 HA ASP 91 -3.682 -3.213 12.142 759 1HB ASP 91 2HB ASP 91 -1.489 -3.218 13.264 760 2HB ASP 91 1HB ASP 91 -1.278 -3.322 11.518 761 H SER 92 H SER 92 -3.182 0.264 12.122 762 HA SER 92 HA SER 92 -4.697 0.473 14.669 763 1HB SER 92 2HB SER 92 -1.877 0.607 14.498 764 2HB SER 92 1HB SER 92 -2.423 2.267 14.704 765 HG SER 92 HG SER 92 -2.318 0.283 16.497 766 HA PRO 93 HA PRO 93 -6.351 4.086 12.759 767 1HB PRO 93 2HB PRO 93 -6.627 5.804 14.880 768 2HB PRO 93 1HB PRO 93 -7.685 4.402 14.627 769 1HG PRO 93 2HG PRO 93 -5.343 4.698 16.446 770 2HG PRO 93 1HG PRO 93 -6.900 3.905 16.733 771 1HD PRO 93 2HD PRO 93 -4.644 2.527 16.146 772 2HD PRO 93 1HD PRO 93 -6.263 1.969 15.668 773 H ASP 94 H ASP 94 -3.555 4.570 14.900 774 HA ASP 94 HA ASP 94 -2.795 7.178 13.929 775 1HB ASP 94 2HB ASP 94 -1.499 4.891 15.404 776 2HB ASP 94 1HB ASP 94 -0.515 6.256 14.878 777 H GLU 95 H GLU 95 -2.118 3.865 12.843 778 HA GLU 95 HA GLU 95 -0.004 4.472 11.000 779 1HB GLU 95 2HB GLU 95 -1.471 2.246 11.914 780 2HB GLU 95 1HB GLU 95 -1.731 2.288 10.171 781 1HG GLU 95 2HG GLU 95 0.259 1.111 10.229 782 2HG GLU 95 1HG GLU 95 0.891 2.752 10.143 783 H ARG 96 H ARG 96 -3.560 4.291 10.550 784 HA ARG 96 HA ARG 96 -3.699 4.679 7.755 785 1HB ARG 96 2HB ARG 96 -5.555 4.167 9.361 786 2HB ARG 96 1HB ARG 96 -5.495 5.842 9.908 787 1HG ARG 96 2HG ARG 96 -5.706 6.277 7.259 788 2HG ARG 96 1HG ARG 96 -6.530 4.720 7.351 789 1HD ARG 96 2HD ARG 96 -8.249 6.349 7.700 790 2HD ARG 96 1HD ARG 96 -7.858 5.752 9.325 791 HE ARG 96 HE ARG 96 -6.194 8.011 8.502 792 1HH1 ARG 96 1HH2 ARG 96 -9.203 7.021 9.956 793 2HH1 ARG 96 2HH2 ARG 96 -9.400 8.497 10.833 794 1HH2 ARG 96 1HH1 ARG 96 -6.463 9.928 9.647 795 2HH2 ARG 96 2HH1 ARG 96 -7.854 10.142 10.657 796 H GLU 97 H GLU 97 -3.415 7.135 10.350 797 HA GLU 97 HA GLU 97 -3.524 9.433 8.596 798 1HB GLU 97 2HB GLU 97 -3.679 9.035 11.252 799 2HB GLU 97 1HB GLU 97 -1.970 9.465 11.152 800 1HG GLU 97 2HG GLU 97 -2.559 11.541 9.950 801 2HG GLU 97 1HG GLU 97 -4.268 11.116 10.054 802 H GLU 98 H GLU 98 -0.863 7.412 9.825 803 HA GLU 98 HA GLU 98 1.293 9.042 8.793 804 1HB GLU 98 2HB GLU 98 1.547 7.391 10.598 805 2HB GLU 98 1HB GLU 98 1.072 6.093 9.503 806 1HG GLU 98 2HG GLU 98 3.414 5.952 9.473 807 2HG GLU 98 1HG GLU 98 3.072 6.918 8.040 808 H TRP 99 H TRP 99 -0.563 6.285 7.489 809 HA TRP 99 HA TRP 99 0.990 5.815 5.131 810 1HB TRP 99 2HB TRP 99 -1.955 5.475 5.778 811 2HB TRP 99 1HB TRP 99 -1.203 4.831 4.321 812 HD1 TRP 99 HD TRP 99 -2.343 3.502 7.305 813 HE1 TRP 99 1HE TRP 99 -0.924 1.560 8.212 814 HE3 TRP 99 3HE TRP 99 1.952 4.226 4.634 815 HZ2 TRP 99 2HZ TRP 99 1.687 0.451 7.856 816 HZ3 TRP 99 3HZ TRP 99 3.889 2.710 4.941 817 HH2 TRP 99 HH TRP 99 3.761 0.825 6.548 818 H MET 100 H MET 100 -1.928 7.862 5.613 819 HA MET 100 HA MET 100 -2.146 8.852 2.955 820 1HB MET 100 2HB MET 100 -3.850 9.113 4.707 821 2HB MET 100 1HB MET 100 -2.763 10.148 5.633 822 1HG MET 100 2HG MET 100 -2.781 11.364 3.148 823 2HG MET 100 1HG MET 100 -4.444 10.806 3.317 824 1HE MET 100 1HE MET 100 -3.607 13.875 3.114 825 2HE MET 100 2HE MET 100 -2.056 13.447 3.831 826 3HE MET 100 3HE MET 100 -3.081 14.646 4.616 827 H ARG 101 H ARG 101 -0.408 10.234 5.769 828 HA ARG 101 HA ARG 101 0.678 12.528 4.458 829 1HB ARG 101 2HB ARG 101 0.570 12.012 6.927 830 2HB ARG 101 1HB ARG 101 1.872 10.848 6.692 831 1HG ARG 101 2HG ARG 101 2.871 12.917 7.443 832 2HG ARG 101 1HG ARG 101 3.272 12.719 5.738 833 1HD ARG 101 2HD ARG 101 2.532 15.045 6.204 834 2HD ARG 101 1HD ARG 101 1.377 14.230 5.136 835 HE ARG 101 HE ARG 101 -0.194 14.184 6.911 836 1HH1 ARG 101 1HH2 ARG 101 2.981 15.053 8.049 837 2HH1 ARG 101 2HH2 ARG 101 2.427 15.464 9.635 838 1HH2 ARG 101 1HH1 ARG 101 -0.897 14.714 8.989 839 2HH2 ARG 101 2HH1 ARG 101 0.243 15.273 10.167 840 H ALA 102 H ALA 102 1.973 9.218 4.853 841 HA ALA 102 HA ALA 102 4.502 9.681 3.558 842 1HB ALA 102 1HB ALA 102 4.360 7.133 3.330 843 2HB ALA 102 2HB ALA 102 2.756 7.258 4.055 844 3HB ALA 102 3HB ALA 102 4.177 7.768 4.966 845 H ILE 103 H ILE 103 1.336 8.554 2.340 846 HA ILE 103 HA ILE 103 2.136 7.974 -0.350 847 HB ILE 103 HB ILE 103 -0.462 8.813 0.970 848 1HG1 ILE 103 2HG1 ILE 103 0.186 6.141 -0.259 849 2HG1 ILE 103 1HG1 ILE 103 0.777 6.534 1.354 850 1HG2 ILE 103 1HG2 ILE 103 -0.979 9.418 -1.209 851 2HG2 ILE 103 2HG2 ILE 103 -1.370 7.700 -1.264 852 3HG2 ILE 103 3HG2 ILE 103 0.167 8.276 -1.911 853 1HD1 ILE 103 1HD1 ILE 103 -1.859 7.337 1.487 854 2HD1 ILE 103 2HD1 ILE 103 -1.241 5.794 2.077 855 3HD1 ILE 103 3HD1 ILE 103 -1.953 5.901 0.467 856 H GLN 104 H GLN 104 0.918 10.970 1.170 857 HA GLN 104 HA GLN 104 0.822 12.551 -1.236 858 1HB GLN 104 2HB GLN 104 0.577 12.862 1.670 859 2HB GLN 104 1HB GLN 104 1.298 14.275 0.900 860 1HG GLN 104 2HG GLN 104 -1.149 13.017 -0.312 861 2HG GLN 104 1HG GLN 104 -1.318 14.092 1.076 862 1HE2 GLN 104 1HE2 GLN 104 -0.796 14.000 -2.356 863 2HE2 GLN 104 2HE2 GLN 104 -0.547 15.665 -2.573 864 H MET 105 H MET 105 3.370 12.086 1.241 865 HA MET 105 HA MET 105 5.241 14.001 0.244 866 1HB MET 105 2HB MET 105 5.477 11.384 1.752 867 2HB MET 105 1HB MET 105 6.876 12.410 1.435 868 1HG MET 105 2HG MET 105 4.480 13.753 2.582 869 2HG MET 105 1HG MET 105 5.363 12.668 3.655 870 1HE MET 105 1HE MET 105 7.758 12.826 4.293 871 2HE MET 105 2HE MET 105 6.738 13.854 5.297 872 3HE MET 105 3HE MET 105 8.315 14.436 4.771 873 H VAL 106 H VAL 106 4.856 10.523 -0.509 874 HA VAL 106 HA VAL 106 7.029 10.433 -2.424 875 HB VAL 106 HB VAL 106 4.616 8.708 -1.797 876 1HG1 VAL 106 1HG1 VAL 106 6.027 6.975 -3.158 877 2HG1 VAL 106 2HG1 VAL 106 6.731 8.403 -3.917 878 3HG1 VAL 106 3HG1 VAL 106 4.997 8.108 -4.032 879 1HG2 VAL 106 1HG2 VAL 106 6.076 8.331 -0.061 880 2HG2 VAL 106 2HG2 VAL 106 7.481 8.843 -0.996 881 3HG2 VAL 106 3HG2 VAL 106 6.806 7.230 -1.229 882 H ALA 107 H ALA 107 3.466 10.692 -2.760 883 HA ALA 107 HA ALA 107 3.322 10.791 -5.600 884 1HB ALA 107 1HB ALA 107 1.648 12.247 -3.523 885 2HB ALA 107 2HB ALA 107 1.429 10.560 -3.992 886 3HB ALA 107 3HB ALA 107 1.143 11.846 -5.165 887 H ASN 108 H ASN 108 4.042 13.340 -3.220 888 HA ASN 108 HA ASN 108 3.946 15.566 -5.067 889 1HB ASN 108 2HB ASN 108 4.869 14.963 -2.304 890 2HB ASN 108 1HB ASN 108 5.613 16.362 -3.076 891 1HD2 ASN 108 1HD2 ASN 108 2.438 14.983 -2.149 892 2HD2 ASN 108 2HD2 ASN 108 1.618 16.469 -2.155 893 H SER 109 H SER 109 6.360 13.108 -4.402 894 HA SER 109 HA SER 109 8.587 14.650 -5.551 895 1HB SER 109 2HB SER 109 8.860 13.049 -3.685 896 2HB SER 109 1HB SER 109 8.278 11.745 -4.716 897 HG SER 109 HG SER 109 10.678 13.223 -4.856 898 H LEU 110 H LEU 110 6.411 12.003 -6.570 899 HA LEU 110 HA LEU 110 7.650 12.162 -9.298 900 1HB LEU 110 2HB LEU 110 7.022 9.816 -9.527 901 2HB LEU 110 1HB LEU 110 7.913 10.026 -8.022 902 HG LEU 110 HG LEU 110 5.132 10.464 -7.475 903 1HD1 LEU 110 1HD1 LEU 110 4.645 7.883 -8.002 904 2HD1 LEU 110 2HD1 LEU 110 5.761 8.208 -9.328 905 3HD1 LEU 110 3HD1 LEU 110 4.280 9.153 -9.170 906 1HD2 LEU 110 1HD2 LEU 110 6.877 8.082 -6.784 907 2HD2 LEU 110 2HD2 LEU 110 5.501 8.698 -5.869 908 3HD2 LEU 110 3HD2 LEU 110 6.989 9.638 -5.962 909 H LYS 111 H LYS 111 5.593 13.988 -8.454 910 HA LYS 111 HA LYS 111 2.992 13.078 -9.429 911 1HB LYS 111 2HB LYS 111 2.436 15.497 -9.107 912 2HB LYS 111 1HB LYS 111 3.217 14.790 -7.696 913 1HG LYS 111 2HG LYS 111 4.873 16.308 -7.821 914 2HG LYS 111 1HG LYS 111 5.252 15.784 -9.461 915 1HD LYS 111 2HD LYS 111 2.829 17.470 -9.199 916 2HD LYS 111 1HD LYS 111 4.356 18.281 -8.854 917 1HE LYS 111 2HE LYS 111 4.561 18.528 -11.108 918 2HE LYS 111 1HE LYS 111 4.910 16.789 -11.154 919 1HZ LYS 111 1HZ LYS 111 3.005 17.382 -12.567 920 2HZ LYS 111 2HZ LYS 111 2.184 17.982 -11.207 921 3HZ LYS 111 3HZ LYS 111 2.559 16.327 -11.316 Start of MODEL 17 1 1H MET 1 1H MET 1 20.222 -2.770 -10.568 2 2H MET 1 2H MET 1 20.282 -3.407 -12.141 3 3H MET 1 3H MET 1 18.852 -3.518 -11.231 4 HA MET 1 HA MET 1 20.069 -0.932 -12.068 5 1HB MET 1 2HB MET 1 18.430 -0.988 -13.888 6 2HB MET 1 1HB MET 1 19.432 -2.435 -13.967 7 1HG MET 1 2HG MET 1 17.094 -2.835 -12.263 8 2HG MET 1 1HG MET 1 16.640 -2.366 -13.901 9 1HE MET 1 1HE MET 1 17.300 -3.527 -16.022 10 2HE MET 1 2HE MET 1 15.868 -4.220 -15.265 11 3HE MET 1 3HE MET 1 17.067 -5.281 -16.002 12 H ASN 2 H ASN 2 18.020 0.627 -12.246 13 HA ASN 2 HA ASN 2 16.305 1.787 -11.119 14 1HB ASN 2 2HB ASN 2 15.365 -0.633 -11.565 15 2HB ASN 2 1HB ASN 2 15.530 -0.810 -9.818 16 1HD2 ASN 2 1HD2 ASN 2 13.994 0.278 -8.478 17 2HD2 ASN 2 2HD2 ASN 2 12.736 1.236 -9.097 18 H GLU 3 H GLU 3 17.406 3.074 -9.631 19 HA GLU 3 HA GLU 3 18.273 1.862 -7.046 20 1HB GLU 3 2HB GLU 3 19.532 3.541 -8.733 21 2HB GLU 3 1HB GLU 3 18.693 4.739 -7.747 22 1HG GLU 3 2HG GLU 3 20.620 4.482 -6.491 23 2HG GLU 3 1HG GLU 3 19.617 3.231 -5.756 24 H VAL 4 H VAL 4 16.029 1.623 -6.260 25 HA VAL 4 HA VAL 4 14.780 4.233 -5.444 26 HB VAL 4 HB VAL 4 13.658 1.576 -6.344 27 1HG1 VAL 4 1HG1 VAL 4 12.008 3.807 -5.150 28 2HG1 VAL 4 2HG1 VAL 4 12.530 2.411 -4.211 29 3HG1 VAL 4 3HG1 VAL 4 11.475 2.190 -5.605 30 1HG2 VAL 4 1HG2 VAL 4 12.445 2.982 -7.934 31 2HG2 VAL 4 2HG2 VAL 4 14.166 3.355 -8.018 32 3HG2 VAL 4 3HG2 VAL 4 13.070 4.437 -7.160 33 H SER 5 H SER 5 14.806 4.546 -3.267 34 HA SER 5 HA SER 5 15.422 2.295 -1.438 35 1HB SER 5 2HB SER 5 15.308 5.304 -1.305 36 2HB SER 5 1HB SER 5 15.355 4.363 0.183 37 HG SER 5 HG SER 5 17.447 4.972 -0.672 38 H VAL 6 H VAL 6 14.086 2.787 0.837 39 HA VAL 6 HA VAL 6 11.218 2.453 0.072 40 HB VAL 6 HB VAL 6 12.760 1.808 2.609 41 1HG1 VAL 6 1HG1 VAL 6 9.893 1.385 1.759 42 2HG1 VAL 6 2HG1 VAL 6 10.499 2.093 3.256 43 3HG1 VAL 6 3HG1 VAL 6 10.651 0.360 2.976 44 1HG2 VAL 6 1HG2 VAL 6 11.717 0.018 0.387 45 2HG2 VAL 6 2HG2 VAL 6 12.540 -0.529 1.848 46 3HG2 VAL 6 3HG2 VAL 6 13.412 0.430 0.652 47 H ILE 7 H ILE 7 9.641 3.852 0.865 48 HA ILE 7 HA ILE 7 10.618 6.297 2.265 49 HB ILE 7 HB ILE 7 8.395 5.558 0.407 50 1HG1 ILE 7 2HG1 ILE 7 9.010 7.789 -0.536 51 2HG1 ILE 7 1HG1 ILE 7 10.191 7.981 0.759 52 1HG2 ILE 7 1HG2 ILE 7 7.354 7.855 1.053 53 2HG2 ILE 7 2HG2 ILE 7 8.190 7.629 2.589 54 3HG2 ILE 7 3HG2 ILE 7 6.980 6.458 2.063 55 1HD1 ILE 7 1HD1 ILE 7 10.977 7.034 -1.552 56 2HD1 ILE 7 2HD1 ILE 7 10.264 5.528 -0.977 57 3HD1 ILE 7 3HD1 ILE 7 11.573 6.286 -0.071 58 H LYS 8 H LYS 8 8.285 3.617 2.625 59 HA LYS 8 HA LYS 8 8.159 4.153 5.520 60 1HB LYS 8 2HB LYS 8 5.633 4.381 5.414 61 2HB LYS 8 1HB LYS 8 6.530 5.743 4.747 62 1HG LYS 8 2HG LYS 8 6.276 4.642 2.464 63 2HG LYS 8 1HG LYS 8 5.144 3.522 3.223 64 1HD LYS 8 2HD LYS 8 3.977 5.681 4.111 65 2HD LYS 8 1HD LYS 8 4.875 6.493 2.827 66 1HE LYS 8 2HE LYS 8 3.740 4.165 1.657 67 2HE LYS 8 1HE LYS 8 2.456 4.944 2.600 68 1HZ LYS 8 1HZ LYS 8 3.128 7.078 1.604 69 2HZ LYS 8 2HZ LYS 8 2.574 5.973 0.440 70 3HZ LYS 8 3HZ LYS 8 4.239 6.260 0.618 71 H GLU 9 H GLU 9 7.679 2.303 6.658 72 HA GLU 9 HA GLU 9 6.634 -0.074 5.146 73 1HB GLU 9 2HB GLU 9 8.861 0.040 7.214 74 2HB GLU 9 1HB GLU 9 8.288 -1.416 6.402 75 1HG GLU 9 2HG GLU 9 9.792 -1.018 4.776 76 2HG GLU 9 1HG GLU 9 8.857 0.411 4.337 77 H GLY 10 H GLY 10 4.862 -0.953 6.176 78 1HA GLY 10 2HA GLY 10 4.694 -0.960 9.108 79 2HA GLY 10 1HA GLY 10 3.487 0.050 8.324 80 H TRP 11 H TRP 11 3.030 -2.382 9.882 81 HA TRP 11 HA TRP 11 2.345 -4.531 8.012 82 1HB TRP 11 2HB TRP 11 1.880 -3.949 10.944 83 2HB TRP 11 1HB TRP 11 1.210 -5.384 10.170 84 HD1 TRP 11 HD TRP 11 4.523 -3.773 11.161 85 HE1 TRP 11 1HE TRP 11 6.381 -5.559 11.065 86 HE3 TRP 11 3HE TRP 11 1.927 -7.640 9.064 87 HZ2 TRP 11 2HZ TRP 11 6.719 -8.266 10.214 88 HZ3 TRP 11 3HZ TRP 11 3.043 -9.808 8.623 89 HH2 TRP 11 HH TRP 11 5.437 -10.124 9.196 90 H LEU 12 H LEU 12 0.526 -4.511 6.769 91 HA LEU 12 HA LEU 12 -1.840 -2.923 7.723 92 1HB LEU 12 2HB LEU 12 -0.882 -3.415 4.880 93 2HB LEU 12 1HB LEU 12 -2.205 -2.359 5.367 94 HG LEU 12 HG LEU 12 0.701 -1.993 6.169 95 1HD1 LEU 12 1HD1 LEU 12 -0.393 0.167 4.631 96 2HD1 LEU 12 2HD1 LEU 12 -0.654 -1.339 3.751 97 3HD1 LEU 12 3HD1 LEU 12 0.974 -0.874 4.240 98 1HD2 LEU 12 1HD2 LEU 12 -1.555 -1.110 7.482 99 2HD2 LEU 12 2HD2 LEU 12 -1.199 0.243 6.411 100 3HD2 LEU 12 3HD2 LEU 12 0.020 -0.324 7.551 101 H HIS 13 H HIS 13 -3.935 -3.802 7.001 102 HA HIS 13 HA HIS 13 -3.851 -6.781 6.726 103 1HB HIS 13 2HB HIS 13 -5.858 -4.767 7.756 104 2HB HIS 13 1HB HIS 13 -6.290 -6.456 7.485 105 HD1 HIS 13 1HD HIS 13 -5.789 -8.025 9.367 106 HD2 HIS 13 2HD HIS 13 -3.509 -4.546 9.616 107 HE1 HIS 13 1HE HIS 13 -4.515 -8.159 11.550 108 H LYS 14 H LYS 14 -4.478 -7.677 4.813 109 HA LYS 14 HA LYS 14 -6.081 -6.008 2.892 110 1HB LYS 14 2HB LYS 14 -3.632 -6.376 2.381 111 2HB LYS 14 1HB LYS 14 -3.971 -8.103 2.287 112 1HG LYS 14 2HG LYS 14 -5.918 -6.770 0.686 113 2HG LYS 14 1HG LYS 14 -4.339 -6.109 0.260 114 1HD LYS 14 2HD LYS 14 -4.705 -9.085 0.537 115 2HD LYS 14 1HD LYS 14 -5.167 -8.269 -0.958 116 1HE LYS 14 2HE LYS 14 -2.861 -7.305 -1.111 117 2HE LYS 14 1HE LYS 14 -2.410 -8.238 0.329 118 1HZ LYS 14 1HZ LYS 14 -3.639 -9.460 -2.082 119 2HZ LYS 14 2HZ LYS 14 -2.932 -10.263 -0.763 120 3HZ LYS 14 3HZ LYS 14 -1.960 -9.380 -1.846 121 H ARG 15 H ARG 15 -7.904 -7.017 2.040 122 HA ARG 15 HA ARG 15 -8.736 -9.601 3.146 123 1HB ARG 15 2HB ARG 15 -10.804 -9.113 1.893 124 2HB ARG 15 1HB ARG 15 -10.279 -7.692 2.788 125 1HG ARG 15 2HG ARG 15 -9.903 -6.494 0.898 126 2HG ARG 15 1HG ARG 15 -9.162 -7.860 0.067 127 1HD ARG 15 2HD ARG 15 -12.143 -7.812 0.555 128 2HD ARG 15 1HD ARG 15 -11.443 -6.989 -0.850 129 HE ARG 15 HE ARG 15 -11.467 -9.902 -0.386 130 1HH1 ARG 15 1HH2 ARG 15 -10.143 -7.201 -2.138 131 2HH1 ARG 15 2HH2 ARG 15 -9.564 -8.177 -3.441 132 1HH2 ARG 15 1HH1 ARG 15 -10.708 -11.168 -2.089 133 2HH2 ARG 15 2HH1 ARG 15 -9.882 -10.417 -3.416 134 H GLY 16 H GLY 16 -9.044 -11.549 1.921 135 1HA GLY 16 2HA GLY 16 -7.942 -11.539 -0.853 136 2HA GLY 16 1HA GLY 16 -7.314 -12.690 0.325 137 H GLU 17 H GLU 17 -8.557 -13.464 -2.090 138 HA GLU 17 HA GLU 17 -10.144 -15.001 -2.898 139 1HB GLU 17 2HB GLU 17 -10.201 -15.403 0.096 140 2HB GLU 17 1HB GLU 17 -11.176 -16.395 -0.984 141 1HG GLU 17 2HG GLU 17 -9.384 -17.684 -1.390 142 2HG GLU 17 1HG GLU 17 -8.560 -16.291 -2.090 143 H TYR 18 H TYR 18 -12.601 -15.713 -2.404 144 HA TYR 18 HA TYR 18 -14.213 -13.308 -2.692 145 1HB TYR 18 2HB TYR 18 -16.058 -15.000 -2.856 146 2HB TYR 18 1HB TYR 18 -14.702 -15.371 -3.915 147 HD1 TYR 18 1HD TYR 18 -16.138 -16.158 -0.547 148 HD2 TYR 18 2HD TYR 18 -13.579 -17.446 -3.752 149 HE1 TYR 18 1HE TYR 18 -15.891 -18.372 0.538 150 HE2 TYR 18 2HE TYR 18 -13.334 -19.660 -2.663 151 HH TYR 18 HH TYR 18 -13.593 -20.414 0.036 152 H ILE 19 H ILE 19 -13.167 -15.162 0.033 153 HA ILE 19 HA ILE 19 -15.439 -14.664 1.775 154 HB ILE 19 HB ILE 19 -13.656 -16.485 1.921 155 1HG1 ILE 19 2HG1 ILE 19 -13.890 -14.864 4.466 156 2HG1 ILE 19 1HG1 ILE 19 -15.256 -15.752 3.790 157 1HG2 ILE 19 1HG2 ILE 19 -11.858 -14.491 1.727 158 2HG2 ILE 19 2HG2 ILE 19 -11.493 -16.015 2.535 159 3HG2 ILE 19 3HG2 ILE 19 -11.956 -14.604 3.484 160 1HD1 ILE 19 1HD1 ILE 19 -12.865 -16.765 5.183 161 2HD1 ILE 19 2HD1 ILE 19 -13.269 -17.648 3.711 162 3HD1 ILE 19 3HD1 ILE 19 -14.458 -17.499 5.005 163 H LYS 20 H LYS 20 -15.387 -13.190 3.644 164 HA LYS 20 HA LYS 20 -14.028 -10.623 2.993 165 1HB LYS 20 2HB LYS 20 -15.676 -9.719 4.635 166 2HB LYS 20 1HB LYS 20 -16.457 -10.634 3.348 167 1HG LYS 20 2HG LYS 20 -17.225 -12.214 4.785 168 2HG LYS 20 1HG LYS 20 -15.689 -12.296 5.648 169 1HD LYS 20 2HD LYS 20 -16.319 -10.057 6.707 170 2HD LYS 20 1HD LYS 20 -17.937 -10.311 6.050 171 1HE LYS 20 2HE LYS 20 -17.376 -12.754 7.254 172 2HE LYS 20 1HE LYS 20 -16.667 -11.575 8.375 173 1HZ LYS 20 1HZ LYS 20 -19.059 -11.939 8.778 174 2HZ LYS 20 2HZ LYS 20 -19.399 -11.374 7.212 175 3HZ LYS 20 3HZ LYS 20 -18.713 -10.330 8.367 176 H THR 21 H THR 21 -12.139 -12.375 3.888 177 HA THR 21 HA THR 21 -11.775 -11.799 6.809 178 HB THR 21 HB THR 21 -10.244 -13.754 5.080 179 HG1 THR 21 1HG THR 21 -12.621 -14.230 6.554 180 1HG2 THR 21 1HG2 THR 21 -10.043 -14.919 7.313 181 2HG2 THR 21 2HG2 THR 21 -10.791 -13.500 8.045 182 3HG2 THR 21 3HG2 THR 21 -9.235 -13.354 7.226 183 H TRP 22 H TRP 22 -9.900 -10.718 7.485 184 HA TRP 22 HA TRP 22 -8.163 -9.589 5.312 185 1HB TRP 22 2HB TRP 22 -9.066 -8.496 7.997 186 2HB TRP 22 1HB TRP 22 -7.907 -7.684 6.945 187 HD1 TRP 22 HD TRP 22 -11.562 -8.889 6.957 188 HE1 TRP 22 1HE TRP 22 -12.895 -7.463 5.281 189 HE3 TRP 22 3HE TRP 22 -7.777 -6.104 4.967 190 HZ2 TRP 22 2HZ TRP 22 -12.426 -5.400 3.356 191 HZ3 TRP 22 3HZ TRP 22 -8.245 -4.418 3.217 192 HH2 TRP 22 HH TRP 22 -10.562 -4.063 2.408 193 H ARG 23 H ARG 23 -5.989 -10.013 5.469 194 HA ARG 23 HA ARG 23 -4.990 -11.320 7.983 195 1HB ARG 23 2HB ARG 23 -4.349 -11.611 5.041 196 2HB ARG 23 1HB ARG 23 -3.268 -12.238 6.287 197 1HG ARG 23 2HG ARG 23 -5.470 -13.329 7.242 198 2HG ARG 23 1HG ARG 23 -6.062 -13.106 5.596 199 1HD ARG 23 2HD ARG 23 -3.456 -14.188 5.333 200 2HD ARG 23 1HD ARG 23 -4.264 -15.141 6.589 201 HE ARG 23 HE ARG 23 -5.266 -14.756 3.806 202 1HH1 ARG 23 1HH2 ARG 23 -5.511 -16.289 6.936 203 2HH1 ARG 23 2HH2 ARG 23 -6.697 -17.426 6.405 204 1HH2 ARG 23 1HH1 ARG 23 -6.808 -16.246 3.145 205 2HH2 ARG 23 2HH1 ARG 23 -7.429 -17.407 4.270 206 HA PRO 24 HA PRO 24 -2.351 -7.762 8.353 207 1HB PRO 24 2HB PRO 24 -0.626 -8.784 10.223 208 2HB PRO 24 1HB PRO 24 -2.262 -8.223 10.621 209 1HG PRO 24 2HG PRO 24 -1.263 -10.997 10.201 210 2HG PRO 24 1HG PRO 24 -2.425 -10.384 11.388 211 1HD PRO 24 2HD PRO 24 -3.161 -11.706 9.128 212 2HD PRO 24 1HD PRO 24 -4.180 -10.480 9.917 213 H ARG 25 H ARG 25 -0.697 -7.214 6.980 214 HA ARG 25 HA ARG 25 1.470 -9.201 6.415 215 1HB ARG 25 2HB ARG 25 -0.435 -7.801 4.552 216 2HB ARG 25 1HB ARG 25 1.176 -8.235 3.983 217 1HG ARG 25 2HG ARG 25 0.791 -10.548 4.295 218 2HG ARG 25 1HG ARG 25 -0.607 -10.261 5.334 219 1HD ARG 25 2HD ARG 25 -1.837 -9.297 3.398 220 2HD ARG 25 1HD ARG 25 -0.451 -9.663 2.356 221 HE ARG 25 HE ARG 25 -2.188 -11.679 3.694 222 1HH1 ARG 25 1HH2 ARG 25 0.536 -10.933 1.642 223 2HH1 ARG 25 2HH2 ARG 25 0.548 -12.495 0.900 224 1HH2 ARG 25 1HH1 ARG 25 -2.156 -13.703 2.716 225 2HH2 ARG 25 2HH1 ARG 25 -0.965 -14.062 1.510 226 H TYR 26 H TYR 26 3.503 -8.219 6.147 227 HA TYR 26 HA TYR 26 3.816 -5.476 7.054 228 1HB TYR 26 2HB TYR 26 5.349 -7.555 7.301 229 2HB TYR 26 1HB TYR 26 5.878 -7.197 5.662 230 HD1 TYR 26 1HD TYR 26 8.175 -6.819 6.445 231 HD2 TYR 26 2HD TYR 26 4.908 -4.430 7.892 232 HE1 TYR 26 1HE TYR 26 9.783 -5.161 7.338 233 HE2 TYR 26 2HE TYR 26 6.520 -2.770 8.782 234 HH TYR 26 HH TYR 26 9.775 -2.713 7.920 235 H PHE 27 H PHE 27 3.021 -3.922 5.642 236 HA PHE 27 HA PHE 27 3.658 -4.144 2.731 237 1HB PHE 27 2HB PHE 27 1.567 -2.936 4.454 238 2HB PHE 27 1HB PHE 27 2.009 -1.991 3.035 239 HD1 PHE 27 1HD PHE 27 1.362 -5.593 3.915 240 HD2 PHE 27 2HD PHE 27 0.812 -2.399 1.096 241 HE1 PHE 27 1HE PHE 27 -0.002 -7.090 2.485 242 HE2 PHE 27 2HE PHE 27 -0.552 -3.896 -0.335 243 HZ PHE 27 HZ PHE 27 -0.957 -6.241 0.359 244 H LEU 28 H LEU 28 5.123 -2.725 1.798 245 HA LEU 28 HA LEU 28 5.932 -0.299 3.357 246 1HB LEU 28 2HB LEU 28 8.299 -0.880 2.879 247 2HB LEU 28 1HB LEU 28 7.505 -2.129 3.833 248 HG LEU 28 HG LEU 28 7.019 -2.829 1.151 249 1HD1 LEU 28 1HD1 LEU 28 8.993 -1.117 0.839 250 2HD1 LEU 28 2HD1 LEU 28 9.028 -2.656 -0.019 251 3HD1 LEU 28 3HD1 LEU 28 9.983 -2.444 1.448 252 1HD2 LEU 28 1HD2 LEU 28 9.102 -3.866 3.100 253 2HD2 LEU 28 2HD2 LEU 28 8.486 -4.741 1.699 254 3HD2 LEU 28 3HD2 LEU 28 7.411 -4.364 3.046 255 H LEU 29 H LEU 29 6.164 1.506 2.069 256 HA LEU 29 HA LEU 29 5.800 1.130 -0.872 257 1HB LEU 29 2HB LEU 29 4.363 2.632 0.663 258 2HB LEU 29 1HB LEU 29 5.748 3.726 0.669 259 HG LEU 29 HG LEU 29 5.019 2.755 -2.014 260 1HD1 LEU 29 1HD1 LEU 29 2.968 3.872 -0.231 261 2HD1 LEU 29 2HD1 LEU 29 2.786 3.040 -1.775 262 3HD1 LEU 29 3HD1 LEU 29 3.153 4.764 -1.740 263 1HD2 LEU 29 1HD2 LEU 29 6.526 4.775 -0.998 264 2HD2 LEU 29 2HD2 LEU 29 5.017 5.637 -1.302 265 3HD2 LEU 29 3HD2 LEU 29 5.837 4.803 -2.621 266 H LYS 30 H LYS 30 7.383 1.670 -2.318 267 HA LYS 30 HA LYS 30 10.022 2.539 -1.233 268 1HB LYS 30 2HB LYS 30 8.972 0.996 -3.561 269 2HB LYS 30 1HB LYS 30 10.483 1.869 -3.801 270 1HG LYS 30 2HG LYS 30 10.686 0.611 -1.269 271 2HG LYS 30 1HG LYS 30 10.041 -0.598 -2.379 272 1HD LYS 30 2HD LYS 30 11.880 -0.143 -3.959 273 2HD LYS 30 1HD LYS 30 12.524 1.077 -2.861 274 1HE LYS 30 2HE LYS 30 12.952 -0.609 -1.149 275 2HE LYS 30 1HE LYS 30 12.179 -1.858 -2.144 276 1HZ LYS 30 1HZ LYS 30 14.712 -1.613 -2.304 277 2HZ LYS 30 2HZ LYS 30 14.395 -0.207 -3.208 278 3HZ LYS 30 3HZ LYS 30 13.837 -1.720 -3.754 279 H SER 31 H SER 31 11.299 3.873 -3.004 280 HA SER 31 HA SER 31 10.046 6.463 -3.264 281 1HB SER 31 2HB SER 31 12.224 7.031 -3.559 282 2HB SER 31 1HB SER 31 12.596 5.330 -3.312 283 HG SER 31 HG SER 31 13.330 6.449 -5.341 284 H ASP 32 H ASP 32 9.841 3.666 -5.252 285 HA ASP 32 HA ASP 32 9.491 5.076 -7.804 286 1HB ASP 32 2HB ASP 32 10.396 2.680 -7.226 287 2HB ASP 32 1HB ASP 32 8.690 2.238 -7.183 288 H GLY 33 H GLY 33 7.534 4.747 -5.089 289 1HA GLY 33 2HA GLY 33 5.264 5.334 -4.828 290 2HA GLY 33 1HA GLY 33 5.138 5.498 -6.583 291 H SER 34 H SER 34 6.291 2.696 -4.733 292 HA SER 34 HA SER 34 3.923 1.140 -5.712 293 1HB SER 34 2HB SER 34 5.854 0.790 -7.176 294 2HB SER 34 1HB SER 34 6.874 0.432 -5.787 295 HG SER 34 HG SER 34 6.012 -1.506 -5.652 296 H PHE 35 H PHE 35 2.995 -0.058 -4.107 297 HA PHE 35 HA PHE 35 4.308 -0.160 -1.442 298 1HB PHE 35 2HB PHE 35 1.669 0.110 -2.490 299 2HB PHE 35 1HB PHE 35 1.712 -1.407 -1.595 300 HD1 PHE 35 1HD PHE 35 3.456 -1.006 0.629 301 HD2 PHE 35 2HD PHE 35 0.771 1.809 -1.193 302 HE1 PHE 35 1HE PHE 35 3.329 0.256 2.761 303 HE2 PHE 35 2HE PHE 35 0.647 3.071 0.937 304 HZ PHE 35 HZ PHE 35 1.927 2.294 2.915 305 H ILE 36 H ILE 36 5.345 -2.014 -0.798 306 HA ILE 36 HA ILE 36 4.885 -4.521 -2.369 307 HB ILE 36 HB ILE 36 7.095 -3.661 -0.460 308 1HG1 ILE 36 2HG1 ILE 36 7.144 -2.318 -2.490 309 2HG1 ILE 36 1HG1 ILE 36 8.447 -3.502 -2.571 310 1HG2 ILE 36 1HG2 ILE 36 6.964 -6.060 -0.477 311 2HG2 ILE 36 2HG2 ILE 36 8.301 -5.615 -1.536 312 3HG2 ILE 36 3HG2 ILE 36 6.751 -6.096 -2.227 313 1HD1 ILE 36 1HD1 ILE 36 5.851 -3.442 -4.088 314 2HD1 ILE 36 2HD1 ILE 36 6.667 -4.981 -3.808 315 3HD1 ILE 36 3HD1 ILE 36 7.487 -3.695 -4.694 316 H GLY 37 H GLY 37 3.642 -6.052 -1.396 317 1HA GLY 37 2HA GLY 37 3.105 -5.850 1.517 318 2HA GLY 37 1HA GLY 37 2.156 -6.783 0.361 319 H TYR 38 H TYR 38 3.993 -7.271 2.924 320 HA TYR 38 HA TYR 38 5.361 -9.706 1.819 321 1HB TYR 38 2HB TYR 38 6.234 -7.487 3.402 322 2HB TYR 38 1HB TYR 38 6.298 -8.927 4.417 323 HD1 TYR 38 1HD TYR 38 7.807 -7.136 1.660 324 HD2 TYR 38 2HD TYR 38 7.541 -10.973 3.575 325 HE1 TYR 38 1HE TYR 38 9.882 -7.856 0.509 326 HE2 TYR 38 2HE TYR 38 9.614 -11.692 2.421 327 HH TYR 38 HH TYR 38 10.787 -10.684 -0.049 328 H LYS 39 H LYS 39 5.091 -11.664 3.004 329 HA LYS 39 HA LYS 39 2.626 -11.865 4.584 330 1HB LYS 39 2HB LYS 39 3.082 -14.250 4.453 331 2HB LYS 39 1HB LYS 39 3.446 -13.540 2.883 332 1HG LYS 39 2HG LYS 39 5.837 -13.498 3.423 333 2HG LYS 39 1HG LYS 39 5.503 -14.120 5.039 334 1HD LYS 39 2HD LYS 39 4.779 -16.227 4.190 335 2HD LYS 39 1HD LYS 39 4.676 -15.611 2.541 336 1HE LYS 39 2HE LYS 39 6.799 -16.339 2.211 337 2HE LYS 39 1HE LYS 39 7.343 -15.131 3.391 338 1HZ LYS 39 1HZ LYS 39 7.969 -17.311 4.160 339 2HZ LYS 39 2HZ LYS 39 6.378 -17.883 3.990 340 3HZ LYS 39 3HZ LYS 39 6.744 -16.713 5.169 341 H GLU 40 H GLU 40 6.098 -11.791 5.211 342 HA GLU 40 HA GLU 40 5.534 -11.741 8.143 343 1HB GLU 40 2HB GLU 40 6.726 -13.854 6.592 344 2HB GLU 40 1HB GLU 40 7.951 -13.183 7.670 345 1HG GLU 40 2HG GLU 40 5.178 -14.010 8.578 346 2HG GLU 40 1HG GLU 40 6.601 -15.045 8.698 347 H ARG 41 H ARG 41 8.310 -11.665 8.868 348 HA ARG 41 HA ARG 41 9.201 -9.103 7.577 349 1HB ARG 41 2HB ARG 41 8.299 -9.609 10.178 350 2HB ARG 41 1HB ARG 41 10.053 -9.549 10.338 351 1HG ARG 41 2HG ARG 41 10.126 -7.368 9.261 352 2HG ARG 41 1HG ARG 41 8.396 -7.438 8.929 353 1HD ARG 41 2HD ARG 41 8.784 -6.044 10.918 354 2HD ARG 41 1HD ARG 41 7.982 -7.545 11.412 355 HE ARG 41 HE ARG 41 10.005 -8.267 12.430 356 1HH1 ARG 41 1HH2 ARG 41 10.515 -5.450 10.447 357 2HH1 ARG 41 2HH2 ARG 41 12.097 -5.149 11.077 358 1HH2 ARG 41 1HH1 ARG 41 12.066 -7.860 13.240 359 2HH2 ARG 41 2HH1 ARG 41 12.974 -6.511 12.649 360 HA PRO 42 HA PRO 42 12.596 -12.357 7.558 361 1HB PRO 42 2HB PRO 42 12.823 -12.705 4.860 362 2HB PRO 42 1HB PRO 42 11.715 -13.662 5.861 363 1HG PRO 42 2HG PRO 42 11.142 -11.382 4.057 364 2HG PRO 42 1HG PRO 42 10.162 -12.807 4.423 365 1HD PRO 42 2HD PRO 42 9.756 -10.285 5.483 366 2HD PRO 42 1HD PRO 42 9.154 -11.800 6.187 367 H GLU 43 H GLU 43 14.644 -11.465 7.632 368 HA GLU 43 HA GLU 43 15.188 -9.050 5.929 369 1HB GLU 43 2HB GLU 43 16.174 -9.840 8.691 370 2HB GLU 43 1HB GLU 43 16.707 -8.405 7.815 371 1HG GLU 43 2HG GLU 43 13.771 -8.902 8.287 372 2HG GLU 43 1HG GLU 43 14.765 -8.156 9.537 373 H ALA 44 H ALA 44 16.953 -11.643 7.686 374 HA ALA 44 HA ALA 44 18.782 -12.975 7.028 375 1HB ALA 44 1HB ALA 44 17.134 -12.793 4.865 376 2HB ALA 44 2HB ALA 44 18.633 -13.722 4.865 377 3HB ALA 44 3HB ALA 44 18.608 -12.090 4.199 378 HA PRO 45 HA PRO 45 22.224 -10.249 6.880 379 1HB PRO 45 2HB PRO 45 24.150 -11.757 5.646 380 2HB PRO 45 1HB PRO 45 23.599 -12.057 7.307 381 1HG PRO 45 2HG PRO 45 22.857 -13.455 4.785 382 2HG PRO 45 1HG PRO 45 23.145 -14.119 6.401 383 1HD PRO 45 2HD PRO 45 20.657 -13.720 5.371 384 2HD PRO 45 1HD PRO 45 21.015 -13.668 7.111 385 H ASP 46 H ASP 46 21.707 -11.919 3.750 386 HA ASP 46 HA ASP 46 22.907 -9.685 2.244 387 1HB ASP 46 2HB ASP 46 21.629 -12.343 1.566 388 2HB ASP 46 1HB ASP 46 22.165 -11.217 0.320 389 H GLN 47 H GLN 47 19.736 -10.619 3.339 390 HA GLN 47 HA GLN 47 17.618 -9.654 3.010 391 1HB GLN 47 2HB GLN 47 19.532 -7.635 3.038 392 2HB GLN 47 1HB GLN 47 18.635 -7.310 1.555 393 1HG GLN 47 2HG GLN 47 16.999 -7.985 3.944 394 2HG GLN 47 1HG GLN 47 17.830 -6.430 3.988 395 1HE2 GLN 47 1HE2 GLN 47 15.452 -8.342 2.126 396 2HE2 GLN 47 2HE2 GLN 47 14.796 -7.015 1.295 397 H THR 48 H THR 48 18.610 -11.502 1.095 398 HA THR 48 HA THR 48 17.855 -10.409 -1.548 399 HB THR 48 HB THR 48 19.925 -11.765 -1.141 400 HG1 THR 48 1HG THR 48 18.024 -13.007 -2.835 401 1HG2 THR 48 1HG2 THR 48 19.873 -13.779 -0.123 402 2HG2 THR 48 2HG2 THR 48 18.524 -14.329 -1.116 403 3HG2 THR 48 3HG2 THR 48 18.219 -13.381 0.340 404 H LEU 49 H LEU 49 15.646 -10.344 -0.119 405 HA LEU 49 HA LEU 49 14.117 -12.860 -0.682 406 1HB LEU 49 2HB LEU 49 13.720 -10.586 1.289 407 2HB LEU 49 1HB LEU 49 12.579 -11.915 1.081 408 HG LEU 49 HG LEU 49 15.277 -12.933 1.397 409 1HD1 LEU 49 1HD1 LEU 49 14.260 -10.925 3.399 410 2HD1 LEU 49 2HD1 LEU 49 15.889 -11.115 2.750 411 3HD1 LEU 49 3HD1 LEU 49 15.268 -12.274 3.924 412 1HD2 LEU 49 1HD2 LEU 49 14.086 -14.071 3.363 413 2HD2 LEU 49 2HD2 LEU 49 13.394 -14.355 1.766 414 3HD2 LEU 49 3HD2 LEU 49 12.640 -13.195 2.859 415 HA PRO 50 HA PRO 50 12.131 -10.355 -3.792 416 1HB PRO 50 2HB PRO 50 10.311 -12.230 -4.601 417 2HB PRO 50 1HB PRO 50 12.020 -12.271 -5.076 418 1HG PRO 50 2HG PRO 50 10.597 -13.844 -2.996 419 2HG PRO 50 1HG PRO 50 11.895 -14.336 -4.094 420 1HD PRO 50 2HD PRO 50 12.270 -13.708 -1.453 421 2HD PRO 50 1HD PRO 50 13.531 -13.577 -2.697 422 HA PRO 51 HA PRO 51 8.547 -8.870 -1.656 423 1HB PRO 51 2HB PRO 51 7.287 -7.570 -3.707 424 2HB PRO 51 1HB PRO 51 8.756 -6.950 -2.930 425 1HG PRO 51 2HG PRO 51 8.439 -8.356 -5.525 426 2HG PRO 51 1HG PRO 51 9.541 -7.047 -5.076 427 1HD PRO 51 2HD PRO 51 10.266 -9.691 -5.277 428 2HD PRO 51 1HD PRO 51 11.123 -8.485 -4.292 429 H LEU 52 H LEU 52 6.938 -10.290 -1.059 430 HA LEU 52 HA LEU 52 5.793 -12.304 -2.749 431 1HB LEU 52 2HB LEU 52 5.390 -11.152 -0.042 432 2HB LEU 52 1HB LEU 52 4.000 -11.999 -0.719 433 HG LEU 52 HG LEU 52 6.160 -13.660 -1.329 434 1HD1 LEU 52 1HD1 LEU 52 7.363 -12.117 0.395 435 2HD1 LEU 52 2HD1 LEU 52 7.516 -13.864 0.581 436 3HD1 LEU 52 3HD1 LEU 52 6.386 -12.965 1.594 437 1HD2 LEU 52 1HD2 LEU 52 4.450 -13.933 1.151 438 2HD2 LEU 52 2HD2 LEU 52 5.050 -15.210 0.093 439 3HD2 LEU 52 3HD2 LEU 52 3.774 -14.130 -0.466 440 H ASN 53 H ASN 53 4.446 -9.171 -1.630 441 HA ASN 53 HA ASN 53 2.382 -9.388 -3.803 442 1HB ASN 53 2HB ASN 53 1.721 -9.460 -1.321 443 2HB ASN 53 1HB ASN 53 2.232 -7.775 -1.244 444 1HD2 ASN 53 1HD2 ASN 53 1.092 -6.243 -2.810 445 2HD2 ASN 53 2HD2 ASN 53 -0.509 -6.596 -3.252 446 H ASN 54 H ASN 54 2.374 -7.721 -5.303 447 HA ASN 54 HA ASN 54 4.100 -5.330 -4.711 448 1HB ASN 54 2HB ASN 54 4.756 -7.184 -6.454 449 2HB ASN 54 1HB ASN 54 3.546 -6.401 -7.472 450 1HD2 ASN 54 1HD2 ASN 54 6.792 -6.150 -6.259 451 2HD2 ASN 54 2HD2 ASN 54 7.147 -4.634 -6.935 452 H PHE 55 H PHE 55 2.867 -3.518 -4.546 453 HA PHE 55 HA PHE 55 0.361 -3.300 -6.197 454 1HB PHE 55 2HB PHE 55 0.084 -3.542 -3.715 455 2HB PHE 55 1HB PHE 55 1.052 -2.085 -3.494 456 HD1 PHE 55 1HD PHE 55 0.212 0.119 -4.314 457 HD2 PHE 55 2HD PHE 55 -2.212 -3.427 -4.432 458 HE1 PHE 55 1HE PHE 55 -1.809 1.514 -4.642 459 HE2 PHE 55 2HE PHE 55 -4.236 -2.030 -4.764 460 HZ PHE 55 HZ PHE 55 -4.033 0.440 -4.869 461 H SER 56 H SER 56 0.026 -1.248 -7.240 462 HA SER 56 HA SER 56 2.423 0.562 -7.236 463 1HB SER 56 2HB SER 56 1.957 0.937 -9.557 464 2HB SER 56 1HB SER 56 1.795 -0.799 -9.308 465 HG SER 56 HG SER 56 -0.223 -0.628 -9.858 466 H VAL 57 H VAL 57 2.086 2.677 -6.643 467 HA VAL 57 HA VAL 57 -0.757 3.586 -6.304 468 HB VAL 57 HB VAL 57 0.958 3.221 -4.342 469 1HG1 VAL 57 1HG1 VAL 57 2.647 4.726 -4.056 470 2HG1 VAL 57 2HG1 VAL 57 1.700 6.064 -4.706 471 3HG1 VAL 57 3HG1 VAL 57 2.499 4.937 -5.800 472 1HG2 VAL 57 1HG2 VAL 57 0.018 5.572 -3.416 473 2HG2 VAL 57 2HG2 VAL 57 -1.005 4.148 -3.594 474 3HG2 VAL 57 3HG2 VAL 57 -1.012 5.399 -4.837 475 H ALA 58 H ALA 58 1.362 3.849 -8.634 476 HA ALA 58 HA ALA 58 1.915 6.692 -8.856 477 1HB ALA 58 1HB ALA 58 2.505 5.990 -11.202 478 2HB ALA 58 2HB ALA 58 1.870 4.386 -10.832 479 3HB ALA 58 3HB ALA 58 3.277 5.001 -9.962 480 H GLU 59 H GLU 59 0.361 8.198 -9.247 481 HA GLU 59 HA GLU 59 -1.600 9.227 -10.053 482 1HB GLU 59 2HB GLU 59 -0.233 8.183 -12.120 483 2HB GLU 59 1HB GLU 59 -1.710 7.232 -12.276 484 1HG GLU 59 2HG GLU 59 -2.958 9.033 -12.913 485 2HG GLU 59 1HG GLU 59 -2.123 10.129 -11.812 486 H CYS 60 H CYS 60 -2.214 7.524 -8.011 487 HA CYS 60 HA CYS 60 -4.597 5.978 -8.985 488 1HB CYS 60 2HB CYS 60 -2.616 5.574 -6.736 489 2HB CYS 60 1HB CYS 60 -4.166 4.735 -6.760 490 H GLN 61 H GLN 61 -6.527 6.154 -7.703 491 HA GLN 61 HA GLN 61 -6.742 8.702 -6.187 492 1HB GLN 61 2HB GLN 61 -8.293 8.043 -8.051 493 2HB GLN 61 1HB GLN 61 -8.835 6.684 -7.069 494 1HG GLN 61 2HG GLN 61 -8.900 9.260 -5.649 495 2HG GLN 61 1HG GLN 61 -9.972 9.196 -7.049 496 1HE2 GLN 61 1HE2 GLN 61 -10.036 8.652 -3.798 497 2HE2 GLN 61 2HE2 GLN 61 -11.199 7.418 -3.731 498 H LEU 62 H LEU 62 -6.866 8.706 -3.969 499 HA LEU 62 HA LEU 62 -7.293 6.081 -2.572 500 1HB LEU 62 2HB LEU 62 -5.832 7.055 -0.814 501 2HB LEU 62 1HB LEU 62 -5.021 7.013 -2.377 502 HG LEU 62 HG LEU 62 -6.524 9.494 -1.979 503 1HD1 LEU 62 1HD1 LEU 62 -4.247 8.851 -0.079 504 2HD1 LEU 62 2HD1 LEU 62 -5.933 9.093 0.380 505 3HD1 LEU 62 3HD1 LEU 62 -4.997 10.436 -0.278 506 1HD2 LEU 62 1HD2 LEU 62 -3.544 9.275 -2.280 507 2HD2 LEU 62 2HD2 LEU 62 -4.657 10.422 -3.024 508 3HD2 LEU 62 3HD2 LEU 62 -4.576 8.763 -3.615 509 H MET 63 H MET 63 -8.587 6.111 -0.647 510 HA MET 63 HA MET 63 -9.954 8.615 0.138 511 1HB MET 63 2HB MET 63 -11.251 7.878 -1.772 512 2HB MET 63 1HB MET 63 -11.307 6.227 -1.157 513 1HG MET 63 2HG MET 63 -13.395 7.033 -0.500 514 2HG MET 63 1HG MET 63 -12.435 7.351 0.942 515 1HE MET 63 1HE MET 63 -13.072 8.910 -2.598 516 2HE MET 63 2HE MET 63 -14.069 10.291 -2.148 517 3HE MET 63 3HE MET 63 -14.623 8.658 -1.788 518 H LYS 64 H LYS 64 -10.481 8.521 2.315 519 HA LYS 64 HA LYS 64 -9.844 6.071 3.832 520 1HB LYS 64 2HB LYS 64 -10.905 8.812 4.629 521 2HB LYS 64 1HB LYS 64 -10.335 7.582 5.756 522 1HG LYS 64 2HG LYS 64 -8.183 8.158 5.415 523 2HG LYS 64 1HG LYS 64 -8.374 8.062 3.664 524 1HD LYS 64 2HD LYS 64 -9.738 10.357 4.169 525 2HD LYS 64 1HD LYS 64 -8.536 10.418 5.458 526 1HE LYS 64 2HE LYS 64 -6.721 10.146 3.810 527 2HE LYS 64 1HE LYS 64 -7.918 10.048 2.502 528 1HZ LYS 64 1HZ LYS 64 -7.644 12.323 4.401 529 2HZ LYS 64 2HZ LYS 64 -8.746 12.221 3.111 530 3HZ LYS 64 3HZ LYS 64 -7.079 12.321 2.802 531 H THR 65 H THR 65 -11.451 4.881 5.057 532 HA THR 65 HA THR 65 -14.299 5.645 4.681 533 HB THR 65 HB THR 65 -13.786 4.390 2.686 534 HG1 THR 65 1HG THR 65 -15.254 2.776 2.918 535 1HG2 THR 65 1HG2 THR 65 -11.871 3.165 2.928 536 2HG2 THR 65 2HG2 THR 65 -13.019 1.870 3.271 537 3HG2 THR 65 3HG2 THR 65 -12.235 2.728 4.597 538 H GLU 66 H GLU 66 -15.756 4.378 6.015 539 HA GLU 66 HA GLU 66 -14.462 3.356 8.500 540 1HB GLU 66 2HB GLU 66 -16.241 5.243 8.307 541 2HB GLU 66 1HB GLU 66 -17.390 3.936 8.017 542 1HG GLU 66 2HG GLU 66 -16.917 2.931 10.142 543 2HG GLU 66 1HG GLU 66 -15.533 3.992 10.404 544 H ARG 67 H ARG 67 -15.662 2.088 5.634 545 HA ARG 67 HA ARG 67 -16.511 -0.451 6.977 546 1HB ARG 67 2HB ARG 67 -17.700 1.224 4.824 547 2HB ARG 67 1HB ARG 67 -17.800 -0.523 4.602 548 1HG ARG 67 2HG ARG 67 -18.451 0.069 7.327 549 2HG ARG 67 1HG ARG 67 -19.406 1.127 6.289 550 1HD ARG 67 2HD ARG 67 -20.372 -0.724 5.117 551 2HD ARG 67 1HD ARG 67 -19.186 -1.856 5.791 552 HE ARG 67 HE ARG 67 -20.335 -1.794 7.882 553 1HH1 ARG 67 1HH2 ARG 67 -21.624 0.513 5.609 554 2HH1 ARG 67 2HH2 ARG 67 -23.031 0.835 6.559 555 1HH2 ARG 67 1HH1 ARG 67 -22.176 -1.359 9.104 556 2HH2 ARG 67 2HH1 ARG 67 -23.344 -0.218 8.528 557 HA PRO 68 HA PRO 68 -17.032 -2.446 6.279 558 1HB PRO 68 2HB PRO 68 -15.622 -4.673 7.026 559 2HB PRO 68 1HB PRO 68 -16.447 -4.521 5.462 560 1HG PRO 68 2HG PRO 68 -13.566 -4.178 6.122 561 2HG PRO 68 1HG PRO 68 -14.318 -4.931 4.708 562 1HD PRO 68 2HD PRO 68 -13.264 -2.424 4.676 563 2HD PRO 68 1HD PRO 68 -14.606 -2.932 3.630 564 H ARG 69 H ARG 69 -13.731 -1.660 7.218 565 HA ARG 69 HA ARG 69 -14.614 -1.565 10.088 566 1HB ARG 69 2HB ARG 69 -12.114 -2.470 8.708 567 2HB ARG 69 1HB ARG 69 -11.960 -1.748 10.307 568 1HG ARG 69 2HG ARG 69 -12.353 -3.881 11.018 569 2HG ARG 69 1HG ARG 69 -14.039 -3.441 10.747 570 1HD ARG 69 2HD ARG 69 -14.150 -4.596 8.704 571 2HD ARG 69 1HD ARG 69 -12.389 -4.564 8.484 572 HE ARG 69 HE ARG 69 -12.808 -5.964 10.877 573 1HH1 ARG 69 1HH2 ARG 69 -13.730 -6.263 7.539 574 2HH1 ARG 69 2HH2 ARG 69 -13.827 -7.988 7.594 575 1HH2 ARG 69 1HH1 ARG 69 -12.933 -8.221 10.939 576 2HH2 ARG 69 2HH1 ARG 69 -13.372 -9.095 9.511 577 HA PRO 70 HA PRO 70 -13.676 2.728 9.987 578 1HB PRO 70 2HB PRO 70 -12.761 3.143 12.535 579 2HB PRO 70 1HB PRO 70 -14.471 2.865 12.153 580 1HG PRO 70 2HG PRO 70 -12.434 0.959 13.199 581 2HG PRO 70 1HG PRO 70 -14.139 1.143 13.641 582 1HD PRO 70 2HD PRO 70 -13.247 -0.819 11.992 583 2HD PRO 70 1HD PRO 70 -14.874 -0.113 11.866 584 H ASN 71 H ASN 71 -11.865 4.229 9.939 585 HA ASN 71 HA ASN 71 -9.633 4.838 9.499 586 1HB ASN 71 2HB ASN 71 -9.271 2.553 11.468 587 2HB ASN 71 1HB ASN 71 -7.952 3.592 10.936 588 1HD2 ASN 71 1HD2 ASN 71 -10.785 3.428 12.998 589 2HD2 ASN 71 2HD2 ASN 71 -10.617 4.975 13.675 590 H THR 72 H THR 72 -10.860 3.176 7.571 591 HA THR 72 HA THR 72 -8.700 1.263 6.746 592 HB THR 72 HB THR 72 -11.669 1.531 6.282 593 HG1 THR 72 1HG THR 72 -11.575 -0.043 7.629 594 1HG2 THR 72 1HG2 THR 72 -10.784 1.193 4.044 595 2HG2 THR 72 2HG2 THR 72 -11.474 -0.325 4.615 596 3HG2 THR 72 3HG2 THR 72 -9.725 -0.094 4.620 597 H PHE 73 H PHE 73 -7.984 1.379 4.499 598 HA PHE 73 HA PHE 73 -8.437 4.068 3.229 599 1HB PHE 73 2HB PHE 73 -6.088 2.369 3.836 600 2HB PHE 73 1HB PHE 73 -6.077 3.074 2.223 601 HD1 PHE 73 1HD PHE 73 -4.366 4.707 2.456 602 HD2 PHE 73 2HD PHE 73 -7.595 4.576 5.286 603 HE1 PHE 73 1HE PHE 73 -3.618 6.867 3.414 604 HE2 PHE 73 2HE PHE 73 -6.847 6.737 6.238 605 HZ PHE 73 HZ PHE 73 -4.856 7.878 5.306 606 H VAL 74 H VAL 74 -9.399 3.981 1.228 607 HA VAL 74 HA VAL 74 -9.365 1.369 -0.256 608 HB VAL 74 HB VAL 74 -11.412 3.597 -0.032 609 1HG1 VAL 74 1HG1 VAL 74 -11.365 1.179 -1.863 610 2HG1 VAL 74 2HG1 VAL 74 -11.392 2.874 -2.350 611 3HG1 VAL 74 3HG1 VAL 74 -12.798 2.161 -1.560 612 1HG2 VAL 74 1HG2 VAL 74 -11.818 0.651 0.474 613 2HG2 VAL 74 2HG2 VAL 74 -12.754 2.014 1.090 614 3HG2 VAL 74 3HG2 VAL 74 -11.141 1.692 1.726 615 H ILE 75 H ILE 75 -8.377 1.432 -2.230 616 HA ILE 75 HA ILE 75 -8.024 4.095 -3.568 617 HB ILE 75 HB ILE 75 -5.918 3.468 -2.578 618 1HG1 ILE 75 2HG1 ILE 75 -5.725 2.471 -5.430 619 2HG1 ILE 75 1HG1 ILE 75 -5.956 4.175 -5.040 620 1HG2 ILE 75 1HG2 ILE 75 -4.884 1.246 -2.990 621 2HG2 ILE 75 2HG2 ILE 75 -6.343 0.738 -3.839 622 3HG2 ILE 75 3HG2 ILE 75 -6.409 1.106 -2.116 623 1HD1 ILE 75 1HD1 ILE 75 -3.790 4.428 -4.457 624 2HD1 ILE 75 2HD1 ILE 75 -3.511 2.851 -5.193 625 3HD1 ILE 75 3HD1 ILE 75 -3.815 2.974 -3.460 626 H ARG 76 H ARG 76 -8.896 4.097 -5.612 627 HA ARG 76 HA ARG 76 -9.751 1.520 -6.792 628 1HB ARG 76 2HB ARG 76 -10.949 3.911 -6.598 629 2HB ARG 76 1HB ARG 76 -10.142 4.163 -8.143 630 1HG ARG 76 2HG ARG 76 -11.517 1.555 -7.827 631 2HG ARG 76 1HG ARG 76 -12.567 2.968 -7.905 632 1HD ARG 76 2HD ARG 76 -12.352 2.727 -10.173 633 2HD ARG 76 1HD ARG 76 -10.768 3.487 -9.937 634 HE ARG 76 HE ARG 76 -9.753 1.374 -10.246 635 1HH1 ARG 76 1HH2 ARG 76 -13.157 1.028 -9.574 636 2HH1 ARG 76 2HH2 ARG 76 -13.166 -0.670 -9.905 637 1HH2 ARG 76 1HH1 ARG 76 -9.787 -0.837 -10.671 638 2HH2 ARG 76 2HH1 ARG 76 -11.269 -1.721 -10.527 639 H CYS 77 H CYS 77 -8.420 4.351 -8.536 640 HA CYS 77 HA CYS 77 -6.750 4.501 -10.188 641 1HB CYS 77 2HB CYS 77 -5.596 3.498 -8.040 642 2HB CYS 77 1HB CYS 77 -5.519 2.023 -9.004 643 H LEU 78 H LEU 78 -5.679 3.139 -12.016 644 HA LEU 78 HA LEU 78 -7.718 1.218 -13.045 645 1HB LEU 78 2HB LEU 78 -5.765 3.169 -14.156 646 2HB LEU 78 1HB LEU 78 -5.988 1.699 -15.101 647 HG LEU 78 HG LEU 78 -7.580 3.341 -15.890 648 1HD1 LEU 78 1HD1 LEU 78 -8.278 0.819 -15.032 649 2HD1 LEU 78 2HD1 LEU 78 -9.310 1.876 -15.995 650 3HD1 LEU 78 3HD1 LEU 78 -9.491 1.826 -14.242 651 1HD2 LEU 78 1HD2 LEU 78 -7.521 4.675 -13.728 652 2HD2 LEU 78 2HD2 LEU 78 -8.662 3.505 -13.065 653 3HD2 LEU 78 3HD2 LEU 78 -9.120 4.495 -14.450 654 H GLN 79 H GLN 79 -6.609 -0.248 -11.277 655 HA GLN 79 HA GLN 79 -3.972 -1.322 -11.915 656 1HB GLN 79 2HB GLN 79 -5.059 -1.155 -9.638 657 2HB GLN 79 1HB GLN 79 -6.158 -2.443 -10.135 658 1HG GLN 79 2HG GLN 79 -4.366 -4.010 -10.378 659 2HG GLN 79 1HG GLN 79 -3.149 -2.738 -10.258 660 1HE2 GLN 79 1HE2 GLN 79 -4.937 -5.039 -8.433 661 2HE2 GLN 79 2HE2 GLN 79 -4.532 -4.461 -6.887 662 H TRP 80 H TRP 80 -3.523 -2.980 -13.282 663 HA TRP 80 HA TRP 80 -5.800 -4.568 -14.424 664 1HB TRP 80 2HB TRP 80 -3.034 -3.918 -15.507 665 2HB TRP 80 1HB TRP 80 -4.272 -4.833 -16.365 666 HD1 TRP 80 HD TRP 80 -2.912 -1.620 -16.574 667 HE1 TRP 80 1HE TRP 80 -4.613 0.182 -17.283 668 HE3 TRP 80 3HE TRP 80 -7.276 -4.105 -15.636 669 HZ2 TRP 80 2HZ TRP 80 -7.448 0.525 -17.433 670 HZ3 TRP 80 3HZ TRP 80 -9.459 -3.016 -16.070 671 HH2 TRP 80 HH TRP 80 -9.551 -0.707 -16.967 672 H THR 81 H THR 81 -2.489 -4.769 -13.120 673 HA THR 81 HA THR 81 -2.614 -7.745 -13.132 674 HB THR 81 HB THR 81 -0.167 -7.307 -12.330 675 HG1 THR 81 1HG THR 81 0.542 -5.285 -12.493 676 1HG2 THR 81 1HG2 THR 81 -1.011 -6.319 -15.067 677 2HG2 THR 81 2HG2 THR 81 -0.848 -8.018 -14.623 678 3HG2 THR 81 3HG2 THR 81 0.567 -6.967 -14.625 679 H THR 82 H THR 82 -1.226 -8.488 -10.962 680 HA THR 82 HA THR 82 -1.404 -8.879 -8.644 681 HB THR 82 HB THR 82 -2.215 -5.983 -8.391 682 HG1 THR 82 1HG THR 82 -0.574 -5.501 -9.600 683 1HG2 THR 82 1HG2 THR 82 -1.768 -7.619 -6.442 684 2HG2 THR 82 2HG2 THR 82 -0.952 -6.057 -6.397 685 3HG2 THR 82 3HG2 THR 82 -0.071 -7.497 -6.906 686 H VAL 83 H VAL 83 -3.656 -9.668 -10.024 687 HA VAL 83 HA VAL 83 -5.940 -10.166 -9.769 688 HB VAL 83 HB VAL 83 -5.539 -9.222 -6.915 689 1HG1 VAL 83 1HG1 VAL 83 -7.771 -10.122 -7.784 690 2HG1 VAL 83 2HG1 VAL 83 -7.102 -10.953 -6.380 691 3HG1 VAL 83 3HG1 VAL 83 -6.958 -11.674 -7.983 692 1HG2 VAL 83 1HG2 VAL 83 -4.342 -11.594 -8.342 693 2HG2 VAL 83 2HG2 VAL 83 -4.735 -11.696 -6.626 694 3HG2 VAL 83 3HG2 VAL 83 -3.578 -10.493 -7.194 695 H ILE 84 H ILE 84 -7.115 -8.258 -7.338 696 HA ILE 84 HA ILE 84 -7.423 -5.757 -8.876 697 HB ILE 84 HB ILE 84 -9.062 -7.438 -9.783 698 1HG1 ILE 84 2HG1 ILE 84 -11.065 -5.964 -9.561 699 2HG1 ILE 84 1HG1 ILE 84 -10.239 -5.077 -8.281 700 1HG2 ILE 84 1HG2 ILE 84 -10.961 -7.342 -7.628 701 2HG2 ILE 84 2HG2 ILE 84 -9.440 -7.995 -7.021 702 3HG2 ILE 84 3HG2 ILE 84 -10.239 -8.755 -8.396 703 1HD1 ILE 84 1HD1 ILE 84 -8.712 -4.118 -9.737 704 2HD1 ILE 84 2HD1 ILE 84 -10.117 -4.243 -10.796 705 3HD1 ILE 84 3HD1 ILE 84 -8.827 -5.442 -10.897 706 H GLU 85 H GLU 85 -6.139 -5.951 -6.489 707 HA GLU 85 HA GLU 85 -7.807 -5.729 -4.141 708 1HB GLU 85 2HB GLU 85 -5.143 -6.053 -4.707 709 2HB GLU 85 1HB GLU 85 -5.175 -4.371 -4.180 710 1HG GLU 85 2HG GLU 85 -6.483 -6.599 -2.602 711 2HG GLU 85 1HG GLU 85 -4.816 -6.093 -2.334 712 H ARG 86 H ARG 86 -8.438 -3.849 -3.012 713 HA ARG 86 HA ARG 86 -7.874 -1.173 -4.111 714 1HB ARG 86 2HB ARG 86 -10.314 -0.711 -4.449 715 2HB ARG 86 1HB ARG 86 -9.681 -1.934 -5.545 716 1HG ARG 86 2HG ARG 86 -10.847 -3.653 -4.523 717 2HG ARG 86 1HG ARG 86 -10.869 -2.850 -2.956 718 1HD ARG 86 2HD ARG 86 -12.355 -1.568 -5.227 719 2HD ARG 86 1HD ARG 86 -13.086 -2.955 -4.397 720 HE ARG 86 HE ARG 86 -12.028 -1.111 -2.455 721 1HH1 ARG 86 1HH2 ARG 86 -14.623 -1.512 -4.742 722 2HH1 ARG 86 2HH2 ARG 86 -15.733 -0.552 -3.828 723 1HH2 ARG 86 1HH1 ARG 86 -13.486 0.135 -1.273 724 2HH2 ARG 86 2HH1 ARG 86 -15.093 0.380 -1.868 725 H THR 87 H THR 87 -9.644 -3.146 -1.701 726 HA THR 87 HA THR 87 -9.761 -0.798 0.135 727 HB THR 87 HB THR 87 -10.854 -3.573 0.632 728 HG1 THR 87 1HG THR 87 -12.541 -3.155 -0.633 729 1HG2 THR 87 1HG2 THR 87 -11.392 -0.780 1.594 730 2HG2 THR 87 2HG2 THR 87 -11.162 -2.254 2.534 731 3HG2 THR 87 3HG2 THR 87 -12.674 -1.989 1.665 732 H PHE 88 H PHE 88 -7.949 -0.577 1.419 733 HA PHE 88 HA PHE 88 -6.697 -3.085 2.479 734 1HB PHE 88 2HB PHE 88 -4.775 -2.408 1.511 735 2HB PHE 88 1HB PHE 88 -5.654 -1.079 0.772 736 HD1 PHE 88 1HD PHE 88 -4.048 -2.016 4.041 737 HD2 PHE 88 2HD PHE 88 -4.983 1.101 1.238 738 HE1 PHE 88 1HE PHE 88 -2.743 -0.403 5.396 739 HE2 PHE 88 2HE PHE 88 -3.678 2.713 2.596 740 HZ PHE 88 HZ PHE 88 -2.558 1.962 4.675 741 H HIS 89 H HIS 89 -6.498 -3.177 4.676 742 HA HIS 89 HA HIS 89 -7.393 -0.800 6.266 743 1HB HIS 89 2HB HIS 89 -7.246 -3.789 6.760 744 2HB HIS 89 1HB HIS 89 -7.655 -2.636 8.028 745 HD1 HIS 89 1HD HIS 89 -10.104 -3.418 8.244 746 HD2 HIS 89 2HD HIS 89 -9.114 -2.164 4.397 747 HE1 HIS 89 1HE HIS 89 -12.278 -3.246 6.964 748 H VAL 90 H VAL 90 -6.163 -0.218 8.176 749 HA VAL 90 HA VAL 90 -3.266 -0.944 7.989 750 HB VAL 90 HB VAL 90 -2.981 1.173 9.290 751 1HG1 VAL 90 1HG1 VAL 90 -2.870 1.318 6.886 752 2HG1 VAL 90 2HG1 VAL 90 -3.820 2.689 7.455 753 3HG1 VAL 90 3HG1 VAL 90 -4.628 1.289 6.750 754 1HG2 VAL 90 1HG2 VAL 90 -5.506 0.824 10.153 755 2HG2 VAL 90 2HG2 VAL 90 -5.833 1.893 8.790 756 3HG2 VAL 90 3HG2 VAL 90 -4.752 2.414 10.079 757 H ASP 91 H ASP 91 -2.100 -1.153 10.104 758 HA ASP 91 HA ASP 91 -3.326 -3.070 11.847 759 1HB ASP 91 2HB ASP 91 -0.798 -2.069 11.298 760 2HB ASP 91 1HB ASP 91 -1.082 -1.533 12.953 761 H SER 92 H SER 92 -3.133 0.471 12.020 762 HA SER 92 HA SER 92 -5.078 0.463 14.245 763 1HB SER 92 2HB SER 92 -3.631 1.244 15.885 764 2HB SER 92 1HB SER 92 -2.510 0.256 14.956 765 HG SER 92 HG SER 92 -1.445 2.079 14.829 766 HA PRO 93 HA PRO 93 -6.288 4.346 12.541 767 1HB PRO 93 2HB PRO 93 -6.653 5.954 14.738 768 2HB PRO 93 1HB PRO 93 -7.779 4.658 14.285 769 1HG PRO 93 2HG PRO 93 -5.600 4.639 16.326 770 2HG PRO 93 1HG PRO 93 -7.243 3.983 16.427 771 1HD PRO 93 2HD PRO 93 -5.106 2.413 15.958 772 2HD PRO 93 1HD PRO 93 -6.698 2.075 15.244 773 H ASP 94 H ASP 94 -3.755 4.582 15.041 774 HA ASP 94 HA ASP 94 -2.668 7.128 14.275 775 1HB ASP 94 2HB ASP 94 -1.430 4.649 15.534 776 2HB ASP 94 1HB ASP 94 -0.661 6.235 15.501 777 H GLU 95 H GLU 95 -2.033 3.785 13.221 778 HA GLU 95 HA GLU 95 0.180 4.292 11.465 779 1HB GLU 95 2HB GLU 95 -1.537 2.160 12.271 780 2HB GLU 95 1HB GLU 95 -1.579 2.213 10.509 781 1HG GLU 95 2HG GLU 95 1.110 2.569 11.065 782 2HG GLU 95 1HG GLU 95 0.606 1.421 12.302 783 H ARG 96 H ARG 96 -3.339 4.134 10.874 784 HA ARG 96 HA ARG 96 -3.398 4.674 8.092 785 1HB ARG 96 2HB ARG 96 -5.319 3.953 9.391 786 2HB ARG 96 1HB ARG 96 -5.244 5.403 10.385 787 1HG ARG 96 2HG ARG 96 -5.483 6.613 8.028 788 2HG ARG 96 1HG ARG 96 -6.213 5.074 7.574 789 1HD ARG 96 2HD ARG 96 -7.910 6.722 8.416 790 2HD ARG 96 1HD ARG 96 -7.827 5.272 9.431 791 HE ARG 96 HE ARG 96 -6.878 6.577 11.160 792 1HH1 ARG 96 1HH2 ARG 96 -6.820 8.277 8.123 793 2HH1 ARG 96 2HH2 ARG 96 -6.199 9.735 8.818 794 1HH2 ARG 96 1HH1 ARG 96 -6.063 8.477 12.051 795 2HH2 ARG 96 2HH1 ARG 96 -5.778 9.852 11.038 796 H GLU 97 H GLU 97 -3.221 6.921 10.861 797 HA GLU 97 HA GLU 97 -3.441 9.367 9.359 798 1HB GLU 97 2HB GLU 97 -3.557 8.787 11.926 799 2HB GLU 97 1HB GLU 97 -1.814 9.046 11.876 800 1HG GLU 97 2HG GLU 97 -2.277 11.287 10.786 801 2HG GLU 97 1HG GLU 97 -3.984 11.028 11.142 802 H GLU 98 H GLU 98 -0.637 7.398 10.384 803 HA GLU 98 HA GLU 98 1.416 9.146 9.380 804 1HB GLU 98 2HB GLU 98 1.638 7.210 10.996 805 2HB GLU 98 1HB GLU 98 1.426 6.117 9.629 806 1HG GLU 98 2HG GLU 98 3.444 8.152 9.076 807 2HG GLU 98 1HG GLU 98 3.847 7.205 10.509 808 H TRP 99 H TRP 99 -0.367 6.423 7.907 809 HA TRP 99 HA TRP 99 1.057 6.258 5.443 810 1HB TRP 99 2HB TRP 99 -1.839 5.758 6.196 811 2HB TRP 99 1HB TRP 99 -1.151 5.291 4.643 812 HD1 TRP 99 HD TRP 99 -2.058 3.673 7.591 813 HE1 TRP 99 1HE TRP 99 -0.562 1.671 8.185 814 HE3 TRP 99 3HE TRP 99 1.991 4.690 4.646 815 HZ2 TRP 99 2HZ TRP 99 2.004 0.632 7.510 816 HZ3 TRP 99 3HZ TRP 99 3.950 3.170 4.650 817 HH2 TRP 99 HH TRP 99 3.962 1.145 6.080 818 H MET 100 H MET 100 -1.834 8.193 6.320 819 HA MET 100 HA MET 100 -2.319 9.418 3.810 820 1HB MET 100 2HB MET 100 -3.640 9.429 6.024 821 2HB MET 100 1HB MET 100 -2.591 10.763 6.508 822 1HG MET 100 2HG MET 100 -3.320 12.106 4.635 823 2HG MET 100 1HG MET 100 -4.219 10.750 3.953 824 1HE MET 100 1HE MET 100 -6.194 13.925 5.803 825 2HE MET 100 2HE MET 100 -4.951 13.678 4.580 826 3HE MET 100 3HE MET 100 -4.488 13.885 6.267 827 H ARG 101 H ARG 101 -0.279 10.595 6.521 828 HA ARG 101 HA ARG 101 0.670 12.958 5.177 829 1HB ARG 101 2HB ARG 101 0.689 12.375 7.658 830 2HB ARG 101 1HB ARG 101 2.059 11.319 7.319 831 1HG ARG 101 2HG ARG 101 2.975 13.421 8.035 832 2HG ARG 101 1HG ARG 101 3.224 13.327 6.293 833 1HD ARG 101 2HD ARG 101 2.344 15.568 7.022 834 2HD ARG 101 1HD ARG 101 1.237 14.740 5.910 835 HE ARG 101 HE ARG 101 -0.276 14.422 7.703 836 1HH1 ARG 101 1HH2 ARG 101 2.851 15.422 8.860 837 2HH1 ARG 101 2HH2 ARG 101 2.317 15.605 10.494 838 1HH2 ARG 101 1HH1 ARG 101 -0.957 14.661 9.834 839 2HH2 ARG 101 2HH1 ARG 101 0.167 15.174 11.047 840 H ALA 102 H ALA 102 2.026 9.663 5.496 841 HA ALA 102 HA ALA 102 4.480 10.184 4.081 842 1HB ALA 102 1HB ALA 102 2.977 7.565 4.244 843 2HB ALA 102 2HB ALA 102 3.802 8.259 5.640 844 3HB ALA 102 3HB ALA 102 4.723 7.814 4.204 845 H ILE 103 H ILE 103 1.264 9.062 3.003 846 HA ILE 103 HA ILE 103 1.988 8.449 0.287 847 HB ILE 103 HB ILE 103 -0.572 9.225 1.715 848 1HG1 ILE 103 2HG1 ILE 103 0.054 6.604 0.377 849 2HG1 ILE 103 1HG1 ILE 103 0.739 6.958 1.963 850 1HG2 ILE 103 1HG2 ILE 103 -1.015 9.934 -0.510 851 2HG2 ILE 103 2HG2 ILE 103 -1.675 8.301 -0.423 852 3HG2 ILE 103 3HG2 ILE 103 -0.120 8.582 -1.205 853 1HD1 ILE 103 1HD1 ILE 103 -2.098 6.478 1.191 854 2HD1 ILE 103 2HD1 ILE 103 -1.803 7.673 2.453 855 3HD1 ILE 103 3HD1 ILE 103 -1.238 6.016 2.659 856 H GLN 104 H GLN 104 0.852 11.435 1.877 857 HA GLN 104 HA GLN 104 0.580 13.058 -0.464 858 1HB GLN 104 2HB GLN 104 0.509 13.305 2.391 859 2HB GLN 104 1HB GLN 104 1.555 14.580 1.766 860 1HG GLN 104 2HG GLN 104 -1.069 14.063 0.406 861 2HG GLN 104 1HG GLN 104 -1.056 14.961 1.924 862 1HE2 GLN 104 1HE2 GLN 104 0.477 14.964 -1.339 863 2HE2 GLN 104 2HE2 GLN 104 0.708 16.644 -1.392 864 H MET 105 H MET 105 3.380 12.427 1.670 865 HA MET 105 HA MET 105 5.250 14.194 0.415 866 1HB MET 105 2HB MET 105 5.354 11.689 2.077 867 2HB MET 105 1HB MET 105 6.849 12.328 1.395 868 1HG MET 105 2HG MET 105 6.007 14.609 2.388 869 2HG MET 105 1HG MET 105 5.003 13.582 3.410 870 1HE MET 105 1HE MET 105 8.230 14.642 2.122 871 2HE MET 105 2HE MET 105 8.919 13.021 2.111 872 3HE MET 105 3HE MET 105 9.473 14.198 3.299 873 H VAL 106 H VAL 106 4.545 10.730 -0.175 874 HA VAL 106 HA VAL 106 6.452 10.398 -2.316 875 HB VAL 106 HB VAL 106 3.889 8.948 -1.555 876 1HG1 VAL 106 1HG1 VAL 106 5.963 8.423 -3.657 877 2HG1 VAL 106 2HG1 VAL 106 4.219 8.170 -3.720 878 3HG1 VAL 106 3HG1 VAL 106 5.241 7.050 -2.818 879 1HG2 VAL 106 1HG2 VAL 106 6.583 9.028 -0.474 880 2HG2 VAL 106 2HG2 VAL 106 6.182 7.401 -1.022 881 3HG2 VAL 106 3HG2 VAL 106 5.156 8.209 0.161 882 H ALA 107 H ALA 107 2.972 11.208 -2.245 883 HA ALA 107 HA ALA 107 2.474 11.202 -5.052 884 1HB ALA 107 1HB ALA 107 1.320 12.874 -2.796 885 2HB ALA 107 2HB ALA 107 0.742 11.292 -3.318 886 3HB ALA 107 3HB ALA 107 0.577 12.687 -4.385 887 H ASN 108 H ASN 108 3.865 13.711 -2.936 888 HA ASN 108 HA ASN 108 3.794 15.873 -4.840 889 1HB ASN 108 2HB ASN 108 5.533 15.228 -2.439 890 2HB ASN 108 1HB ASN 108 5.592 16.774 -3.284 891 1HD2 ASN 108 1HD2 ASN 108 4.619 16.116 -0.473 892 2HD2 ASN 108 2HD2 ASN 108 3.038 16.729 -0.411 893 H SER 109 H SER 109 6.360 13.513 -3.995 894 HA SER 109 HA SER 109 8.217 14.524 -6.009 895 1HB SER 109 2HB SER 109 8.067 12.029 -4.295 896 2HB SER 109 1HB SER 109 9.439 12.406 -5.333 897 HG SER 109 HG SER 109 9.964 14.061 -4.061 898 H LEU 110 H LEU 110 5.454 12.482 -6.165 899 HA LEU 110 HA LEU 110 6.357 10.770 -8.359 900 1HB LEU 110 2HB LEU 110 4.156 11.023 -6.521 901 2HB LEU 110 1HB LEU 110 3.519 10.905 -8.160 902 HG LEU 110 HG LEU 110 4.852 8.870 -8.548 903 1HD1 LEU 110 1HD1 LEU 110 6.700 9.518 -6.954 904 2HD1 LEU 110 2HD1 LEU 110 6.149 7.852 -6.774 905 3HD1 LEU 110 3HD1 LEU 110 5.628 9.082 -5.623 906 1HD2 LEU 110 1HD2 LEU 110 3.714 7.431 -6.750 907 2HD2 LEU 110 2HD2 LEU 110 2.655 8.441 -7.733 908 3HD2 LEU 110 3HD2 LEU 110 3.082 8.943 -6.097 909 H LYS 111 H LYS 111 4.905 13.954 -8.096 910 HA LYS 111 HA LYS 111 4.636 14.014 -11.085 911 1HB LYS 111 2HB LYS 111 2.839 15.238 -8.963 912 2HB LYS 111 1HB LYS 111 2.630 15.436 -10.704 913 1HG LYS 111 2HG LYS 111 2.381 12.984 -10.948 914 2HG LYS 111 1HG LYS 111 2.557 12.800 -9.202 915 1HD LYS 111 2HD LYS 111 0.484 14.715 -10.185 916 2HD LYS 111 1HD LYS 111 0.149 12.992 -10.352 917 1HE LYS 111 2HE LYS 111 0.177 12.623 -8.034 918 2HE LYS 111 1HE LYS 111 1.153 14.072 -7.719 919 1HZ LYS 111 1HZ LYS 111 -1.193 14.441 -7.179 920 2HZ LYS 111 2HZ LYS 111 -1.631 14.072 -8.778 921 3HZ LYS 111 3HZ LYS 111 -0.688 15.448 -8.446 Start of MODEL 18 1 1H MET 1 1H MET 1 11.162 3.884 -15.065 2 2H MET 1 2H MET 1 12.675 4.597 -15.364 3 3H MET 1 3H MET 1 11.288 5.567 -15.236 4 HA MET 1 HA MET 1 12.536 5.755 -13.195 5 1HB MET 1 2HB MET 1 9.920 4.290 -13.346 6 2HB MET 1 1HB MET 1 10.646 4.555 -11.762 7 1HG MET 1 2HG MET 1 9.559 6.555 -11.869 8 2HG MET 1 1HG MET 1 10.932 7.033 -12.866 9 1HE MET 1 1HE MET 1 7.264 7.268 -12.665 10 2HE MET 1 2HE MET 1 7.464 5.518 -12.696 11 3HE MET 1 3HE MET 1 6.612 6.324 -14.010 12 H ASN 2 H ASN 2 13.827 4.755 -11.628 13 HA ASN 2 HA ASN 2 13.822 1.868 -11.179 14 1HB ASN 2 2HB ASN 2 16.014 1.442 -12.180 15 2HB ASN 2 1HB ASN 2 14.949 2.130 -13.403 16 1HD2 ASN 2 1HD2 ASN 2 17.938 2.592 -11.700 17 2HD2 ASN 2 2HD2 ASN 2 18.310 4.120 -12.340 18 H GLU 3 H GLU 3 15.763 1.282 -9.714 19 HA GLU 3 HA GLU 3 16.902 1.643 -7.685 20 1HB GLU 3 2HB GLU 3 18.034 3.121 -9.587 21 2HB GLU 3 1HB GLU 3 17.433 4.451 -8.597 22 1HG GLU 3 2HG GLU 3 18.513 2.813 -6.689 23 2HG GLU 3 1HG GLU 3 19.602 2.526 -8.047 24 H VAL 4 H VAL 4 14.420 1.745 -7.003 25 HA VAL 4 HA VAL 4 13.694 4.416 -5.901 26 HB VAL 4 HB VAL 4 12.207 1.774 -6.081 27 1HG1 VAL 4 1HG1 VAL 4 10.237 3.021 -5.455 28 2HG1 VAL 4 2HG1 VAL 4 11.134 4.539 -5.474 29 3HG1 VAL 4 3HG1 VAL 4 11.476 3.329 -4.239 30 1HG2 VAL 4 1HG2 VAL 4 11.945 4.314 -7.724 31 2HG2 VAL 4 2HG2 VAL 4 10.996 2.843 -7.931 32 3HG2 VAL 4 3HG2 VAL 4 12.725 2.833 -8.279 33 H SER 5 H SER 5 14.176 4.853 -3.800 34 HA SER 5 HA SER 5 15.120 2.733 -1.986 35 1HB SER 5 2HB SER 5 15.404 4.786 -0.492 36 2HB SER 5 1HB SER 5 16.286 4.832 -2.016 37 HG SER 5 HG SER 5 15.249 6.656 -2.250 38 H VAL 6 H VAL 6 14.185 2.625 0.273 39 HA VAL 6 HA VAL 6 11.232 2.518 0.142 40 HB VAL 6 HB VAL 6 13.337 1.664 2.151 41 1HG1 VAL 6 1HG1 VAL 6 10.318 1.393 2.267 42 2HG1 VAL 6 2HG1 VAL 6 11.350 2.239 3.419 43 3HG1 VAL 6 3HG1 VAL 6 11.428 0.482 3.291 44 1HG2 VAL 6 1HG2 VAL 6 12.742 -0.577 1.433 45 2HG2 VAL 6 2HG2 VAL 6 13.080 0.384 -0.007 46 3HG2 VAL 6 3HG2 VAL 6 11.413 0.045 0.455 47 H ILE 7 H ILE 7 9.889 3.957 1.186 48 HA ILE 7 HA ILE 7 11.160 6.259 2.587 49 HB ILE 7 HB ILE 7 8.735 5.728 0.947 50 1HG1 ILE 7 2HG1 ILE 7 9.301 7.881 0.002 51 2HG1 ILE 7 1HG1 ILE 7 10.387 8.240 1.343 52 1HG2 ILE 7 1HG2 ILE 7 8.757 7.633 3.291 53 2HG2 ILE 7 2HG2 ILE 7 7.524 6.450 2.854 54 3HG2 ILE 7 3HG2 ILE 7 7.730 7.907 1.884 55 1HD1 ILE 7 1HD1 ILE 7 11.949 6.568 0.650 56 2HD1 ILE 7 2HD1 ILE 7 11.505 7.449 -0.811 57 3HD1 ILE 7 3HD1 ILE 7 10.798 5.867 -0.488 58 H LYS 8 H LYS 8 8.655 3.740 3.073 59 HA LYS 8 HA LYS 8 8.914 4.158 6.006 60 1HB LYS 8 2HB LYS 8 6.872 5.294 4.417 61 2HB LYS 8 1HB LYS 8 6.124 3.938 5.261 62 1HG LYS 8 2HG LYS 8 7.166 4.835 7.397 63 2HG LYS 8 1HG LYS 8 7.599 6.282 6.484 64 1HD LYS 8 2HD LYS 8 5.279 6.746 5.986 65 2HD LYS 8 1HD LYS 8 4.772 5.205 6.680 66 1HE LYS 8 2HE LYS 8 6.294 7.181 8.378 67 2HE LYS 8 1HE LYS 8 4.543 7.357 8.152 68 1HZ LYS 8 1HZ LYS 8 4.287 5.012 8.783 69 2HZ LYS 8 2HZ LYS 8 4.976 5.931 10.038 70 3HZ LYS 8 3HZ LYS 8 5.953 4.911 9.090 71 H GLU 9 H GLU 9 7.914 2.388 7.236 72 HA GLU 9 HA GLU 9 7.230 -0.062 5.668 73 1HB GLU 9 2HB GLU 9 8.793 -1.326 7.174 74 2HB GLU 9 1HB GLU 9 9.624 -0.153 6.153 75 1HG GLU 9 2HG GLU 9 9.582 1.472 8.051 76 2HG GLU 9 1HG GLU 9 8.863 0.223 9.066 77 H GLY 10 H GLY 10 5.535 -1.194 6.623 78 1HA GLY 10 2HA GLY 10 5.016 -1.127 9.477 79 2HA GLY 10 1HA GLY 10 3.888 -0.105 8.591 80 H TRP 11 H TRP 11 2.795 -2.226 9.918 81 HA TRP 11 HA TRP 11 2.466 -4.413 7.907 82 1HB TRP 11 2HB TRP 11 2.093 -4.074 10.864 83 2HB TRP 11 1HB TRP 11 1.149 -5.313 10.038 84 HD1 TRP 11 HD TRP 11 4.801 -4.249 10.619 85 HE1 TRP 11 1HE TRP 11 6.309 -6.323 10.347 86 HE3 TRP 11 3HE TRP 11 1.332 -7.681 9.096 87 HZ2 TRP 11 2HZ TRP 11 6.081 -9.063 9.586 88 HZ3 TRP 11 3HZ TRP 11 2.009 -10.015 8.605 89 HH2 TRP 11 HH TRP 11 4.382 -10.708 8.849 90 H LEU 12 H LEU 12 0.570 -4.573 6.756 91 HA LEU 12 HA LEU 12 -1.778 -2.948 7.678 92 1HB LEU 12 2HB LEU 12 -0.539 -3.275 4.933 93 2HB LEU 12 1HB LEU 12 -2.147 -2.600 5.174 94 HG LEU 12 HG LEU 12 0.359 -1.520 6.496 95 1HD1 LEU 12 1HD1 LEU 12 0.766 -0.276 4.660 96 2HD1 LEU 12 2HD1 LEU 12 -0.926 0.205 4.536 97 3HD1 LEU 12 3HD1 LEU 12 -0.382 -1.303 3.802 98 1HD2 LEU 12 1HD2 LEU 12 -2.510 -1.030 6.761 99 2HD2 LEU 12 2HD2 LEU 12 -1.620 0.439 6.367 100 3HD2 LEU 12 3HD2 LEU 12 -1.186 -0.499 7.796 101 H HIS 13 H HIS 13 -3.784 -3.943 7.423 102 HA HIS 13 HA HIS 13 -3.790 -6.861 7.073 103 1HB HIS 13 2HB HIS 13 -5.638 -4.690 7.963 104 2HB HIS 13 1HB HIS 13 -6.365 -6.204 7.428 105 HD1 HIS 13 1HD HIS 13 -6.226 -8.180 8.997 106 HD2 HIS 13 2HD HIS 13 -3.769 -5.036 10.195 107 HE1 HIS 13 1HE HIS 13 -5.350 -8.792 11.293 108 H LYS 14 H LYS 14 -4.578 -7.974 5.314 109 HA LYS 14 HA LYS 14 -5.751 -6.387 3.048 110 1HB LYS 14 2HB LYS 14 -3.315 -7.341 2.966 111 2HB LYS 14 1HB LYS 14 -4.108 -8.901 2.752 112 1HG LYS 14 2HG LYS 14 -4.796 -6.517 1.027 113 2HG LYS 14 1HG LYS 14 -3.485 -7.619 0.612 114 1HD LYS 14 2HD LYS 14 -5.546 -9.353 1.210 115 2HD LYS 14 1HD LYS 14 -6.391 -8.018 0.428 116 1HE LYS 14 2HE LYS 14 -5.101 -8.238 -1.572 117 2HE LYS 14 1HE LYS 14 -3.914 -9.289 -0.776 118 1HZ LYS 14 1HZ LYS 14 -5.822 -10.355 -2.157 119 2HZ LYS 14 2HZ LYS 14 -6.767 -10.046 -0.777 120 3HZ LYS 14 3HZ LYS 14 -5.389 -11.038 -0.667 121 H ARG 15 H ARG 15 -7.693 -7.205 2.256 122 HA ARG 15 HA ARG 15 -9.049 -9.369 3.641 123 1HB ARG 15 2HB ARG 15 -10.047 -7.315 2.523 124 2HB ARG 15 1HB ARG 15 -9.722 -8.090 0.976 125 1HG ARG 15 2HG ARG 15 -11.069 -9.908 2.808 126 2HG ARG 15 1HG ARG 15 -12.005 -8.435 2.560 127 1HD ARG 15 2HD ARG 15 -10.831 -10.036 0.263 128 2HD ARG 15 1HD ARG 15 -12.481 -10.273 0.864 129 HE ARG 15 HE ARG 15 -11.485 -7.889 -0.562 130 1HH1 ARG 15 1HH2 ARG 15 -13.948 -9.311 1.447 131 2HH1 ARG 15 2HH2 ARG 15 -15.151 -8.156 0.993 132 1HH2 ARG 15 1HH1 ARG 15 -13.067 -6.396 -1.151 133 2HH2 ARG 15 2HH1 ARG 15 -14.656 -6.509 -0.472 134 H GLY 16 H GLY 16 -9.201 -11.527 3.044 135 1HA GLY 16 2HA GLY 16 -7.296 -12.802 1.437 136 2HA GLY 16 1HA GLY 16 -8.862 -13.509 1.823 137 H GLU 17 H GLU 17 -10.723 -12.725 0.402 138 HA GLU 17 HA GLU 17 -10.054 -11.608 -2.224 139 1HB GLU 17 2HB GLU 17 -9.204 -13.980 -2.264 140 2HB GLU 17 1HB GLU 17 -10.858 -14.530 -1.995 141 1HG GLU 17 2HG GLU 17 -10.577 -14.628 -4.347 142 2HG GLU 17 1HG GLU 17 -11.474 -13.134 -4.074 143 H TYR 18 H TYR 18 -12.503 -13.988 -1.105 144 HA TYR 18 HA TYR 18 -14.618 -12.003 -1.852 145 1HB TYR 18 2HB TYR 18 -16.024 -13.994 -2.236 146 2HB TYR 18 1HB TYR 18 -14.534 -14.094 -3.165 147 HD1 TYR 18 1HD TYR 18 -12.813 -15.732 -2.626 148 HD2 TYR 18 2HD TYR 18 -16.382 -15.416 -0.255 149 HE1 TYR 18 1HE TYR 18 -12.295 -17.907 -1.557 150 HE2 TYR 18 2HE TYR 18 -15.861 -17.589 0.817 151 HH TYR 18 HH TYR 18 -12.998 -18.972 0.873 152 H ILE 19 H ILE 19 -13.515 -14.191 0.718 153 HA ILE 19 HA ILE 19 -15.830 -13.876 2.425 154 HB ILE 19 HB ILE 19 -14.031 -15.687 2.436 155 1HG1 ILE 19 2HG1 ILE 19 -14.309 -14.431 5.163 156 2HG1 ILE 19 1HG1 ILE 19 -15.719 -15.086 4.329 157 1HG2 ILE 19 1HG2 ILE 19 -12.216 -13.758 2.488 158 2HG2 ILE 19 2HG2 ILE 19 -11.915 -15.290 3.307 159 3HG2 ILE 19 3HG2 ILE 19 -12.443 -13.886 4.232 160 1HD1 ILE 19 1HD1 ILE 19 -13.172 -16.610 4.959 161 2HD1 ILE 19 2HD1 ILE 19 -14.569 -17.263 4.104 162 3HD1 ILE 19 3HD1 ILE 19 -14.714 -16.788 5.796 163 H LYS 20 H LYS 20 -15.712 -12.704 4.577 164 HA LYS 20 HA LYS 20 -14.575 -9.989 4.183 165 1HB LYS 20 2HB LYS 20 -16.831 -11.262 5.546 166 2HB LYS 20 1HB LYS 20 -16.015 -10.081 6.571 167 1HG LYS 20 2HG LYS 20 -16.174 -8.414 4.727 168 2HG LYS 20 1HG LYS 20 -17.080 -9.590 3.774 169 1HD LYS 20 2HD LYS 20 -18.914 -9.563 5.276 170 2HD LYS 20 1HD LYS 20 -17.967 -8.789 6.548 171 1HE LYS 20 2HE LYS 20 -17.726 -6.896 4.629 172 2HE LYS 20 1HE LYS 20 -19.309 -7.566 4.185 173 1HZ LYS 20 1HZ LYS 20 -19.498 -5.827 5.889 174 2HZ LYS 20 2HZ LYS 20 -18.513 -6.739 6.932 175 3HZ LYS 20 3HZ LYS 20 -20.037 -7.330 6.463 176 H THR 21 H THR 21 -12.562 -11.892 4.690 177 HA THR 21 HA THR 21 -11.830 -11.391 7.557 178 HB THR 21 HB THR 21 -10.638 -13.470 5.715 179 HG1 THR 21 1HG THR 21 -12.238 -14.844 6.272 180 1HG2 THR 21 1HG2 THR 21 -9.467 -13.029 7.819 181 2HG2 THR 21 2HG2 THR 21 -10.223 -14.622 7.872 182 3HG2 THR 21 3HG2 THR 21 -10.965 -13.265 8.720 183 H TRP 22 H TRP 22 -9.928 -10.280 7.941 184 HA TRP 22 HA TRP 22 -8.277 -9.509 5.553 185 1HB TRP 22 2HB TRP 22 -8.971 -7.956 8.074 186 2HB TRP 22 1HB TRP 22 -7.943 -7.362 6.773 187 HD1 TRP 22 HD TRP 22 -11.565 -8.566 7.342 188 HE1 TRP 22 1HE TRP 22 -13.095 -7.380 5.645 189 HE3 TRP 22 3HE TRP 22 -8.065 -6.013 4.638 190 HZ2 TRP 22 2HZ TRP 22 -12.866 -5.589 3.428 191 HZ3 TRP 22 3HZ TRP 22 -8.751 -4.573 2.742 192 HH2 TRP 22 HH TRP 22 -11.146 -4.358 2.134 193 H ARG 23 H ARG 23 -6.233 -10.333 5.684 194 HA ARG 23 HA ARG 23 -5.175 -11.160 8.352 195 1HB ARG 23 2HB ARG 23 -4.417 -11.806 5.483 196 2HB ARG 23 1HB ARG 23 -3.562 -12.440 6.889 197 1HG ARG 23 2HG ARG 23 -6.543 -12.794 6.489 198 2HG ARG 23 1HG ARG 23 -5.356 -13.967 5.918 199 1HD ARG 23 2HD ARG 23 -4.488 -13.709 8.456 200 2HD ARG 23 1HD ARG 23 -6.203 -13.344 8.709 201 HE ARG 23 HE ARG 23 -6.672 -15.490 7.405 202 1HH1 ARG 23 1HH2 ARG 23 -3.652 -15.024 9.105 203 2HH1 ARG 23 2HH2 ARG 23 -3.351 -16.716 9.251 204 1HH2 ARG 23 1HH1 ARG 23 -6.253 -17.684 7.627 205 2HH2 ARG 23 2HH1 ARG 23 -4.814 -18.215 8.430 206 HA PRO 24 HA PRO 24 -2.426 -7.691 8.319 207 1HB PRO 24 2HB PRO 24 -0.559 -8.639 10.090 208 2HB PRO 24 1HB PRO 24 -2.152 -8.033 10.588 209 1HG PRO 24 2HG PRO 24 -1.234 -10.844 10.207 210 2HG PRO 24 1HG PRO 24 -2.253 -10.154 11.481 211 1HD PRO 24 2HD PRO 24 -3.272 -11.552 9.403 212 2HD PRO 24 1HD PRO 24 -4.153 -10.218 10.184 213 H ARG 25 H ARG 25 -0.660 -7.123 7.080 214 HA ARG 25 HA ARG 25 1.261 -9.245 6.206 215 1HB ARG 25 2HB ARG 25 -0.689 -7.632 4.622 216 2HB ARG 25 1HB ARG 25 0.907 -7.863 3.909 217 1HG ARG 25 2HG ARG 25 -0.042 -9.798 3.135 218 2HG ARG 25 1HG ARG 25 0.417 -10.392 4.731 219 1HD ARG 25 2HD ARG 25 -1.810 -9.963 5.602 220 2HD ARG 25 1HD ARG 25 -2.286 -9.157 4.097 221 HE ARG 25 HE ARG 25 -2.411 -11.272 3.031 222 1HH1 ARG 25 1HH2 ARG 25 -0.939 -11.519 6.183 223 2HH1 ARG 25 2HH2 ARG 25 -0.992 -13.250 6.194 224 1HH2 ARG 25 1HH1 ARG 25 -2.482 -13.511 3.067 225 2HH2 ARG 25 2HH1 ARG 25 -1.859 -14.375 4.433 226 H TYR 26 H TYR 26 3.379 -8.423 5.883 227 HA TYR 26 HA TYR 26 3.952 -5.813 7.052 228 1HB TYR 26 2HB TYR 26 5.370 -7.904 7.204 229 2HB TYR 26 1HB TYR 26 5.772 -7.685 5.501 230 HD1 TYR 26 1HD TYR 26 8.184 -7.502 6.200 231 HD2 TYR 26 2HD TYR 26 5.215 -4.669 7.478 232 HE1 TYR 26 1HE TYR 26 9.971 -5.898 6.810 233 HE2 TYR 26 2HE TYR 26 7.003 -3.069 8.087 234 HH TYR 26 HH TYR 26 9.652 -3.444 8.778 235 H PHE 27 H PHE 27 3.396 -4.036 5.861 236 HA PHE 27 HA PHE 27 3.744 -4.043 2.908 237 1HB PHE 27 2HB PHE 27 2.163 -2.605 4.970 238 2HB PHE 27 1HB PHE 27 2.629 -1.655 3.560 239 HD1 PHE 27 1HD PHE 27 1.143 -4.981 4.477 240 HD2 PHE 27 2HD PHE 27 1.368 -1.800 1.607 241 HE1 PHE 27 1HE PHE 27 -0.656 -6.052 3.151 242 HE2 PHE 27 2HE PHE 27 -0.431 -2.868 0.276 243 HZ PHE 27 HZ PHE 27 -1.445 -4.995 1.051 244 H LEU 28 H LEU 28 5.282 -2.809 1.886 245 HA LEU 28 HA LEU 28 7.011 -1.030 3.581 246 1HB LEU 28 2HB LEU 28 7.548 -3.281 1.781 247 2HB LEU 28 1HB LEU 28 8.480 -1.850 1.350 248 HG LEU 28 HG LEU 28 9.712 -3.250 2.963 249 1HD1 LEU 28 1HD1 LEU 28 10.267 -1.510 4.546 250 2HD1 LEU 28 2HD1 LEU 28 8.711 -0.719 4.292 251 3HD1 LEU 28 3HD1 LEU 28 9.908 -0.745 2.998 252 1HD2 LEU 28 1HD2 LEU 28 8.854 -3.922 5.011 253 2HD2 LEU 28 2HD2 LEU 28 7.391 -3.960 4.028 254 3HD2 LEU 28 3HD2 LEU 28 7.706 -2.587 5.089 255 H LEU 29 H LEU 29 6.934 1.080 2.919 256 HA LEU 29 HA LEU 29 5.718 1.740 0.285 257 1HB LEU 29 2HB LEU 29 5.164 2.706 2.658 258 2HB LEU 29 1HB LEU 29 6.611 3.681 2.411 259 HG LEU 29 HG LEU 29 4.566 3.565 0.220 260 1HD1 LEU 29 1HD1 LEU 29 3.053 4.133 1.902 261 2HD1 LEU 29 2HD1 LEU 29 3.657 5.723 1.435 262 3HD1 LEU 29 3HD1 LEU 29 4.283 4.930 2.881 263 1HD2 LEU 29 1HD2 LEU 29 5.659 6.154 0.868 264 2HD2 LEU 29 2HD2 LEU 29 5.884 5.200 -0.598 265 3HD2 LEU 29 3HD2 LEU 29 6.968 4.975 0.775 266 H LYS 30 H LYS 30 6.922 2.583 -1.390 267 HA LYS 30 HA LYS 30 9.838 3.079 -0.878 268 1HB LYS 30 2HB LYS 30 8.228 2.032 -3.211 269 2HB LYS 30 1HB LYS 30 9.893 2.575 -3.412 270 1HG LYS 30 2HG LYS 30 9.634 0.832 -1.100 271 2HG LYS 30 1HG LYS 30 9.061 0.036 -2.565 272 1HD LYS 30 2HD LYS 30 11.641 1.559 -2.675 273 2HD LYS 30 1HD LYS 30 11.630 -0.033 -1.916 274 1HE LYS 30 2HE LYS 30 10.494 -0.916 -4.017 275 2HE LYS 30 1HE LYS 30 10.845 0.652 -4.767 276 1HZ LYS 30 1HZ LYS 30 13.197 0.335 -4.027 277 2HZ LYS 30 2HZ LYS 30 12.685 -0.768 -5.217 278 3HZ LYS 30 3HZ LYS 30 12.796 -1.260 -3.595 279 H SER 31 H SER 31 10.778 4.628 -2.612 280 HA SER 31 HA SER 31 9.420 7.199 -2.433 281 1HB SER 31 2HB SER 31 11.959 6.500 -2.499 282 2HB SER 31 1HB SER 31 11.742 6.583 -4.245 283 HG SER 31 HG SER 31 11.064 8.724 -4.010 284 H ASP 32 H ASP 32 8.986 4.605 -4.569 285 HA ASP 32 HA ASP 32 8.580 6.142 -7.032 286 1HB ASP 32 2HB ASP 32 9.373 3.817 -7.011 287 2HB ASP 32 1HB ASP 32 7.916 3.307 -6.161 288 H GLY 33 H GLY 33 6.813 5.968 -4.203 289 1HA GLY 33 2HA GLY 33 4.641 6.776 -3.767 290 2HA GLY 33 1HA GLY 33 4.376 6.924 -5.508 291 H SER 34 H SER 34 5.470 4.044 -3.766 292 HA SER 34 HA SER 34 2.838 2.729 -4.080 293 1HB SER 34 2HB SER 34 4.044 0.905 -5.436 294 2HB SER 34 1HB SER 34 3.748 2.426 -6.272 295 HG SER 34 HG SER 34 5.826 2.608 -6.482 296 H PHE 35 H PHE 35 2.629 0.983 -2.640 297 HA PHE 35 HA PHE 35 5.078 0.233 -1.092 298 1HB PHE 35 2HB PHE 35 3.326 -0.023 0.844 299 2HB PHE 35 1HB PHE 35 3.929 1.576 0.437 300 HD1 PHE 35 1HD PHE 35 2.512 3.168 -0.853 301 HD2 PHE 35 2HD PHE 35 1.033 -0.648 0.445 302 HE1 PHE 35 1HE PHE 35 0.185 3.939 -1.234 303 HE2 PHE 35 2HE PHE 35 -1.291 0.120 0.064 304 HZ PHE 35 HZ PHE 35 -1.716 2.414 -0.774 305 H ILE 36 H ILE 36 5.393 -1.943 -0.854 306 HA ILE 36 HA ILE 36 3.330 -3.754 -2.040 307 HB ILE 36 HB ILE 36 6.327 -3.829 -1.651 308 1HG1 ILE 36 2HG1 ILE 36 5.919 -4.509 -4.199 309 2HG1 ILE 36 1HG1 ILE 36 4.386 -3.683 -3.927 310 1HG2 ILE 36 1HG2 ILE 36 4.457 -6.096 -1.789 311 2HG2 ILE 36 2HG2 ILE 36 6.156 -6.067 -1.317 312 3HG2 ILE 36 3HG2 ILE 36 5.716 -6.143 -3.022 313 1HD1 ILE 36 1HD1 ILE 36 6.776 -2.452 -4.596 314 2HD1 ILE 36 2HD1 ILE 36 6.677 -2.204 -2.853 315 3HD1 ILE 36 3HD1 ILE 36 5.370 -1.646 -3.899 316 H GLY 37 H GLY 37 2.304 -5.218 -0.762 317 1HA GLY 37 2HA GLY 37 3.096 -5.415 2.095 318 2HA GLY 37 1HA GLY 37 1.528 -5.870 1.432 319 H TYR 38 H TYR 38 3.907 -7.284 2.924 320 HA TYR 38 HA TYR 38 4.112 -9.661 1.103 321 1HB TYR 38 2HB TYR 38 6.047 -8.140 2.310 322 2HB TYR 38 1HB TYR 38 5.824 -9.412 3.508 323 HD1 TYR 38 1HD TYR 38 6.231 -11.778 2.929 324 HD2 TYR 38 2HD TYR 38 6.963 -8.616 0.117 325 HE1 TYR 38 1HE TYR 38 7.571 -13.328 1.536 326 HE2 TYR 38 2HE TYR 38 8.300 -10.166 -1.277 327 HH TYR 38 HH TYR 38 9.631 -12.316 -0.860 328 H LYS 39 H LYS 39 3.435 -11.683 1.927 329 HA LYS 39 HA LYS 39 1.413 -11.867 3.889 330 1HB LYS 39 2HB LYS 39 2.358 -13.520 2.075 331 2HB LYS 39 1HB LYS 39 3.377 -14.097 3.393 332 1HG LYS 39 2HG LYS 39 1.381 -14.536 4.763 333 2HG LYS 39 1HG LYS 39 0.349 -13.925 3.470 334 1HD LYS 39 2HD LYS 39 0.322 -16.291 3.215 335 2HD LYS 39 1HD LYS 39 1.431 -15.708 1.975 336 1HE LYS 39 2HE LYS 39 3.268 -16.062 3.833 337 2HE LYS 39 1HE LYS 39 2.060 -17.152 4.540 338 1HZ LYS 39 1HZ LYS 39 3.105 -17.230 1.756 339 2HZ LYS 39 2HZ LYS 39 1.826 -18.192 2.328 340 3HZ LYS 39 3HZ LYS 39 3.387 -18.378 2.972 341 H GLU 40 H GLU 40 4.930 -12.234 4.252 342 HA GLU 40 HA GLU 40 4.661 -11.796 7.184 343 1HB GLU 40 2HB GLU 40 4.764 -14.309 6.270 344 2HB GLU 40 1HB GLU 40 6.490 -13.958 6.195 345 1HG GLU 40 2HG GLU 40 6.692 -14.151 8.430 346 2HG GLU 40 1HG GLU 40 5.374 -13.011 8.698 347 H ARG 41 H ARG 41 7.354 -12.094 7.845 348 HA ARG 41 HA ARG 41 8.556 -9.727 6.658 349 1HB ARG 41 2HB ARG 41 9.364 -11.864 8.633 350 2HB ARG 41 1HB ARG 41 10.523 -10.640 8.114 351 1HG ARG 41 2HG ARG 41 9.632 -9.210 9.607 352 2HG ARG 41 1HG ARG 41 8.120 -9.258 8.703 353 1HD ARG 41 2HD ARG 41 7.286 -10.067 10.684 354 2HD ARG 41 1HD ARG 41 7.943 -11.604 10.100 355 HE ARG 41 HE ARG 41 9.290 -9.776 12.034 356 1HH1 ARG 41 1HH2 ARG 41 9.182 -12.798 10.290 357 2HH1 ARG 41 2HH2 ARG 41 10.417 -13.524 11.252 358 1HH2 ARG 41 1HH1 ARG 41 10.896 -10.748 13.270 359 2HH2 ARG 41 2HH1 ARG 41 11.383 -12.375 12.929 360 HA PRO 42 HA PRO 42 10.212 -12.251 3.319 361 1HB PRO 42 2HB PRO 42 10.925 -10.177 1.706 362 2HB PRO 42 1HB PRO 42 9.265 -10.783 1.833 363 1HG PRO 42 2HG PRO 42 10.478 -8.348 2.993 364 2HG PRO 42 1HG PRO 42 8.819 -8.636 2.450 365 1HD PRO 42 2HD PRO 42 9.683 -8.630 5.095 366 2HD PRO 42 1HD PRO 42 8.161 -9.326 4.503 367 H GLU 43 H GLU 43 12.277 -12.967 3.027 368 HA GLU 43 HA GLU 43 14.646 -11.341 3.068 369 1HB GLU 43 2HB GLU 43 14.265 -11.067 5.409 370 2HB GLU 43 1HB GLU 43 13.772 -12.747 5.605 371 1HG GLU 43 2HG GLU 43 16.019 -12.478 6.501 372 2HG GLU 43 1HG GLU 43 16.110 -13.448 5.033 373 H ALA 44 H ALA 44 13.498 -14.564 4.106 374 HA ALA 44 HA ALA 44 14.093 -16.734 3.398 375 1HB ALA 44 1HB ALA 44 15.555 -15.735 1.025 376 2HB ALA 44 2HB ALA 44 13.895 -15.162 1.171 377 3HB ALA 44 3HB ALA 44 14.229 -16.892 1.121 378 HA PRO 45 HA PRO 45 18.247 -17.301 4.730 379 1HB PRO 45 2HB PRO 45 18.841 -19.752 3.660 380 2HB PRO 45 1HB PRO 45 17.750 -19.537 5.044 381 1HG PRO 45 2HG PRO 45 17.106 -20.017 2.182 382 2HG PRO 45 1HG PRO 45 16.304 -20.624 3.638 383 1HD PRO 45 2HD PRO 45 15.353 -18.553 2.121 384 2HD PRO 45 1HD PRO 45 15.000 -18.761 3.851 385 H ASP 46 H ASP 46 17.738 -18.137 1.280 386 HA ASP 46 HA ASP 46 19.918 -16.367 0.441 387 1HB ASP 46 2HB ASP 46 20.817 -18.682 1.336 388 2HB ASP 46 1HB ASP 46 20.256 -19.287 -0.223 389 H GLN 47 H GLN 47 17.320 -16.137 -0.312 390 HA GLN 47 HA GLN 47 17.371 -16.473 -3.182 391 1HB GLN 47 2HB GLN 47 16.947 -18.803 -2.543 392 2HB GLN 47 1HB GLN 47 15.610 -18.300 -1.507 393 1HG GLN 47 2HG GLN 47 15.203 -17.190 -4.123 394 2HG GLN 47 1HG GLN 47 15.525 -18.915 -4.290 395 1HE2 GLN 47 1HE2 GLN 47 14.287 -20.162 -2.251 396 2HE2 GLN 47 2HE2 GLN 47 12.644 -19.747 -2.142 397 H THR 48 H THR 48 16.585 -14.386 -3.415 398 HA THR 48 HA THR 48 14.621 -13.129 -1.757 399 HB THR 48 HB THR 48 16.147 -11.886 -3.184 400 HG1 THR 48 1HG THR 48 14.164 -10.885 -2.880 401 1HG2 THR 48 1HG2 THR 48 15.396 -13.876 -5.091 402 2HG2 THR 48 2HG2 THR 48 16.663 -12.658 -5.222 403 3HG2 THR 48 3HG2 THR 48 15.026 -12.293 -5.770 404 H LEU 49 H LEU 49 12.455 -13.408 -1.698 405 HA LEU 49 HA LEU 49 11.128 -15.120 -3.741 406 1HB LEU 49 2HB LEU 49 10.384 -14.153 -0.962 407 2HB LEU 49 1HB LEU 49 9.342 -15.175 -1.949 408 HG LEU 49 HG LEU 49 12.076 -16.203 -1.781 409 1HD1 LEU 49 1HD1 LEU 49 11.941 -16.899 0.576 410 2HD1 LEU 49 2HD1 LEU 49 10.436 -16.000 0.764 411 3HD1 LEU 49 3HD1 LEU 49 11.944 -15.139 0.454 412 1HD2 LEU 49 1HD2 LEU 49 9.324 -17.295 -1.113 413 2HD2 LEU 49 2HD2 LEU 49 10.799 -18.260 -1.131 414 3HD2 LEU 49 3HD2 LEU 49 10.208 -17.525 -2.621 415 HA PRO 50 HA PRO 50 8.896 -11.734 -5.458 416 1HB PRO 50 2HB PRO 50 6.533 -12.940 -6.133 417 2HB PRO 50 1HB PRO 50 8.049 -13.219 -7.012 418 1HG PRO 50 2HG PRO 50 6.707 -14.913 -4.969 419 2HG PRO 50 1HG PRO 50 7.587 -15.387 -6.430 420 1HD PRO 50 2HD PRO 50 8.639 -15.512 -3.910 421 2HD PRO 50 1HD PRO 50 9.614 -15.328 -5.383 422 HA PRO 51 HA PRO 51 6.350 -10.031 -2.281 423 1HB PRO 51 2HB PRO 51 4.942 -8.171 -3.718 424 2HB PRO 51 1HB PRO 51 6.653 -7.973 -3.287 425 1HG PRO 51 2HG PRO 51 5.440 -8.851 -5.861 426 2HG PRO 51 1HG PRO 51 6.833 -7.796 -5.571 427 1HD PRO 51 2HD PRO 51 7.065 -10.407 -6.296 428 2HD PRO 51 1HD PRO 51 8.278 -9.555 -5.316 429 H LEU 52 H LEU 52 4.142 -10.043 -1.508 430 HA LEU 52 HA LEU 52 2.368 -11.929 -2.992 431 1HB LEU 52 2HB LEU 52 3.134 -12.309 -0.616 432 2HB LEU 52 1HB LEU 52 2.219 -10.876 -0.150 433 HG LEU 52 HG LEU 52 0.449 -12.452 -1.690 434 1HD1 LEU 52 1HD1 LEU 52 2.026 -14.072 0.330 435 2HD1 LEU 52 2HD1 LEU 52 1.869 -14.396 -1.397 436 3HD1 LEU 52 3HD1 LEU 52 0.471 -14.572 -0.337 437 1HD2 LEU 52 1HD2 LEU 52 -0.857 -12.441 0.308 438 2HD2 LEU 52 2HD2 LEU 52 0.087 -10.953 0.363 439 3HD2 LEU 52 3HD2 LEU 52 0.576 -12.344 1.332 440 H ASN 53 H ASN 53 2.474 -8.614 -1.741 441 HA ASN 53 HA ASN 53 -0.148 -8.074 -3.093 442 1HB ASN 53 2HB ASN 53 -0.081 -8.400 -0.497 443 2HB ASN 53 1HB ASN 53 0.679 -6.808 -0.483 444 1HD2 ASN 53 1HD2 ASN 53 -0.611 -4.968 -1.274 445 2HD2 ASN 53 2HD2 ASN 53 -2.297 -5.086 -1.408 446 H ASN 54 H ASN 54 -0.041 -6.243 -4.399 447 HA ASN 54 HA ASN 54 2.289 -4.397 -3.982 448 1HB ASN 54 2HB ASN 54 2.521 -4.284 -6.373 449 2HB ASN 54 1HB ASN 54 2.356 -5.990 -5.968 450 1HD2 ASN 54 1HD2 ASN 54 0.361 -7.079 -6.586 451 2HD2 ASN 54 2HD2 ASN 54 -0.759 -6.360 -7.637 452 H PHE 55 H PHE 55 1.842 -2.205 -3.992 453 HA PHE 55 HA PHE 55 -0.920 -1.309 -4.742 454 1HB PHE 55 2HB PHE 55 0.329 -1.499 -2.128 455 2HB PHE 55 1HB PHE 55 -0.079 0.175 -2.494 456 HD1 PHE 55 1HD PHE 55 -1.465 -3.275 -2.293 457 HD2 PHE 55 2HD PHE 55 -2.342 0.924 -2.497 458 HE1 PHE 55 1HE PHE 55 -3.845 -3.746 -1.773 459 HE2 PHE 55 2HE PHE 55 -4.719 0.451 -1.977 460 HZ PHE 55 HZ PHE 55 -5.470 -1.881 -1.615 461 H SER 56 H SER 56 -0.826 0.550 -5.994 462 HA SER 56 HA SER 56 1.677 2.203 -5.871 463 1HB SER 56 2HB SER 56 0.864 0.549 -7.933 464 2HB SER 56 1HB SER 56 0.239 2.116 -8.439 465 HG SER 56 HG SER 56 2.853 1.230 -8.135 466 H VAL 57 H VAL 57 1.255 4.333 -5.452 467 HA VAL 57 HA VAL 57 -1.477 5.401 -6.081 468 HB VAL 57 HB VAL 57 -1.109 4.757 -3.684 469 1HG1 VAL 57 1HG1 VAL 57 0.975 6.962 -3.789 470 2HG1 VAL 57 2HG1 VAL 57 1.301 5.244 -3.560 471 3HG1 VAL 57 3HG1 VAL 57 0.422 6.145 -2.327 472 1HG2 VAL 57 1HG2 VAL 57 -2.160 6.679 -2.809 473 2HG2 VAL 57 2HG2 VAL 57 -2.557 6.740 -4.525 474 3HG2 VAL 57 3HG2 VAL 57 -1.274 7.763 -3.881 475 H ALA 58 H ALA 58 1.238 5.674 -7.473 476 HA ALA 58 HA ALA 58 2.128 8.428 -7.036 477 1HB ALA 58 1HB ALA 58 3.168 7.776 -9.410 478 2HB ALA 58 2HB ALA 58 2.648 6.161 -8.933 479 3HB ALA 58 3HB ALA 58 3.786 7.054 -7.925 480 H GLU 59 H GLU 59 0.757 6.933 -9.996 481 HA GLU 59 HA GLU 59 -0.620 9.520 -10.600 482 1HB GLU 59 2HB GLU 59 1.059 7.895 -12.073 483 2HB GLU 59 1HB GLU 59 -0.531 7.366 -12.622 484 1HG GLU 59 2HG GLU 59 -1.134 9.726 -13.097 485 2HG GLU 59 1HG GLU 59 0.482 10.226 -12.596 486 H CYS 60 H CYS 60 -1.655 7.536 -8.644 487 HA CYS 60 HA CYS 60 -4.149 6.662 -10.069 488 1HB CYS 60 2HB CYS 60 -2.237 5.353 -8.247 489 2HB CYS 60 1HB CYS 60 -3.922 5.118 -7.788 490 H GLN 61 H GLN 61 -5.806 6.138 -8.010 491 HA GLN 61 HA GLN 61 -5.880 8.651 -6.368 492 1HB GLN 61 2HB GLN 61 -7.491 8.861 -8.110 493 2HB GLN 61 1HB GLN 61 -7.982 7.174 -7.966 494 1HG GLN 61 2HG GLN 61 -8.324 8.626 -5.454 495 2HG GLN 61 1HG GLN 61 -9.241 9.356 -6.773 496 1HE2 GLN 61 1HE2 GLN 61 -9.435 6.955 -4.421 497 2HE2 GLN 61 2HE2 GLN 61 -10.627 5.987 -5.140 498 H LEU 62 H LEU 62 -6.071 8.267 -4.189 499 HA LEU 62 HA LEU 62 -7.047 5.570 -3.291 500 1HB LEU 62 2HB LEU 62 -4.524 6.116 -3.196 501 2HB LEU 62 1HB LEU 62 -4.943 7.251 -1.912 502 HG LEU 62 HG LEU 62 -6.220 4.673 -1.481 503 1HD1 LEU 62 1HD1 LEU 62 -4.096 3.458 -0.928 504 2HD1 LEU 62 2HD1 LEU 62 -3.198 4.746 -1.731 505 3HD1 LEU 62 3HD1 LEU 62 -4.308 3.736 -2.656 506 1HD2 LEU 62 1HD2 LEU 62 -4.801 4.955 0.676 507 2HD2 LEU 62 2HD2 LEU 62 -6.045 6.160 0.348 508 3HD2 LEU 62 3HD2 LEU 62 -4.354 6.524 0.004 509 H MET 63 H MET 63 -8.544 5.616 -1.622 510 HA MET 63 HA MET 63 -9.077 8.233 -0.264 511 1HB MET 63 2HB MET 63 -11.426 7.977 -0.729 512 2HB MET 63 1HB MET 63 -10.582 7.701 -2.251 513 1HG MET 63 2HG MET 63 -10.611 5.173 -1.388 514 2HG MET 63 1HG MET 63 -12.019 5.751 -0.496 515 1HE MET 63 1HE MET 63 -11.364 4.320 -4.433 516 2HE MET 63 2HE MET 63 -12.579 3.503 -3.456 517 3HE MET 63 3HE MET 63 -11.000 3.865 -2.764 518 H LYS 64 H LYS 64 -9.938 8.025 1.876 519 HA LYS 64 HA LYS 64 -9.391 5.407 3.165 520 1HB LYS 64 2HB LYS 64 -9.479 6.722 5.219 521 2HB LYS 64 1HB LYS 64 -8.521 7.605 4.033 522 1HG LYS 64 2HG LYS 64 -9.886 9.367 4.374 523 2HG LYS 64 1HG LYS 64 -11.164 8.445 3.585 524 1HD LYS 64 2HD LYS 64 -12.274 8.212 5.529 525 2HD LYS 64 1HD LYS 64 -10.844 7.548 6.315 526 1HE LYS 64 2HE LYS 64 -11.169 9.497 7.571 527 2HE LYS 64 1HE LYS 64 -10.068 10.099 6.317 528 1HZ LYS 64 1HZ LYS 64 -13.040 10.166 6.173 529 2HZ LYS 64 2HZ LYS 64 -11.973 10.752 4.986 530 3HZ LYS 64 3HZ LYS 64 -12.050 11.500 6.509 531 H THR 65 H THR 65 -11.013 4.378 4.540 532 HA THR 65 HA THR 65 -13.809 5.347 4.341 533 HB THR 65 HB THR 65 -13.291 4.047 2.266 534 HG1 THR 65 1HG THR 65 -15.151 2.890 2.380 535 1HG2 THR 65 1HG2 THR 65 -13.111 1.511 2.641 536 2HG2 THR 65 2HG2 THR 65 -12.680 1.903 4.304 537 3HG2 THR 65 3HG2 THR 65 -11.667 2.466 2.976 538 H GLU 66 H GLU 66 -15.293 3.838 5.612 539 HA GLU 66 HA GLU 66 -13.820 2.695 7.964 540 1HB GLU 66 2HB GLU 66 -15.749 3.403 9.266 541 2HB GLU 66 1HB GLU 66 -15.216 4.763 8.280 542 1HG GLU 66 2HG GLU 66 -16.978 3.644 6.562 543 2HG GLU 66 1HG GLU 66 -17.705 3.144 8.088 544 H ARG 67 H ARG 67 -14.848 1.367 5.321 545 HA ARG 67 HA ARG 67 -16.230 -0.882 6.712 546 1HB ARG 67 2HB ARG 67 -17.923 -0.953 5.001 547 2HB ARG 67 1HB ARG 67 -17.819 0.717 5.552 548 1HG ARG 67 2HG ARG 67 -15.924 0.454 3.464 549 2HG ARG 67 1HG ARG 67 -17.395 -0.339 2.903 550 1HD ARG 67 2HD ARG 67 -17.402 2.426 4.156 551 2HD ARG 67 1HD ARG 67 -17.292 2.158 2.407 552 HE ARG 67 HE ARG 67 -19.652 1.642 4.085 553 1HH1 ARG 67 1HH2 ARG 67 -17.981 0.991 1.099 554 2HH1 ARG 67 2HH2 ARG 67 -19.418 0.518 0.263 555 1HH2 ARG 67 1HH1 ARG 67 -21.516 1.021 2.978 556 2HH2 ARG 67 2HH1 ARG 67 -21.410 0.534 1.320 557 HA PRO 68 HA PRO 68 -17.137 -2.764 5.959 558 1HB PRO 68 2HB PRO 68 -16.216 -5.212 6.774 559 2HB PRO 68 1HB PRO 68 -16.914 -4.922 5.169 560 1HG PRO 68 2HG PRO 68 -14.057 -5.118 5.980 561 2HG PRO 68 1HG PRO 68 -14.863 -5.737 4.530 562 1HD PRO 68 2HD PRO 68 -13.359 -3.470 4.546 563 2HD PRO 68 1HD PRO 68 -14.720 -3.729 3.433 564 H ARG 69 H ARG 69 -13.829 -2.458 7.013 565 HA ARG 69 HA ARG 69 -14.726 -2.367 9.879 566 1HB ARG 69 2HB ARG 69 -11.974 -2.953 8.724 567 2HB ARG 69 1HB ARG 69 -12.438 -3.071 10.419 568 1HG ARG 69 2HG ARG 69 -13.736 -4.707 8.220 569 2HG ARG 69 1HG ARG 69 -12.385 -5.285 9.193 570 1HD ARG 69 2HD ARG 69 -13.834 -4.731 11.251 571 2HD ARG 69 1HD ARG 69 -15.190 -4.615 10.111 572 HE ARG 69 HE ARG 69 -13.942 -7.002 9.424 573 1HH1 ARG 69 1HH2 ARG 69 -15.286 -5.633 12.328 574 2HH1 ARG 69 2HH2 ARG 69 -15.717 -7.167 12.994 575 1HH2 ARG 69 1HH1 ARG 69 -14.511 -9.004 10.312 576 2HH2 ARG 69 2HH1 ARG 69 -15.276 -9.069 11.864 577 HA PRO 70 HA PRO 70 -13.476 1.853 9.968 578 1HB PRO 70 2HB PRO 70 -12.283 2.076 12.428 579 2HB PRO 70 1HB PRO 70 -14.039 1.922 12.209 580 1HG PRO 70 2HG PRO 70 -12.034 -0.164 12.930 581 2HG PRO 70 1HG PRO 70 -13.661 0.107 13.577 582 1HD PRO 70 2HD PRO 70 -13.125 -1.819 11.757 583 2HD PRO 70 1HD PRO 70 -14.686 -0.968 11.818 584 H ASN 71 H ASN 71 -11.561 3.282 9.924 585 HA ASN 71 HA ASN 71 -9.351 3.793 9.280 586 1HB ASN 71 2HB ASN 71 -9.275 1.690 11.356 587 2HB ASN 71 1HB ASN 71 -7.804 1.802 10.395 588 1HD2 ASN 71 1HD2 ASN 71 -9.577 3.285 12.963 589 2HD2 ASN 71 2HD2 ASN 71 -8.603 4.663 13.130 590 H THR 72 H THR 72 -10.448 2.864 7.109 591 HA THR 72 HA THR 72 -8.701 0.621 6.136 592 HB THR 72 HB THR 72 -11.602 1.309 5.613 593 HG1 THR 72 1HG THR 72 -11.900 -0.243 6.977 594 1HG2 THR 72 1HG2 THR 72 -10.840 0.638 3.475 595 2HG2 THR 72 2HG2 THR 72 -11.463 -0.847 4.192 596 3HG2 THR 72 3HG2 THR 72 -9.726 -0.548 4.152 597 H PHE 73 H PHE 73 -7.950 0.779 3.980 598 HA PHE 73 HA PHE 73 -8.168 3.500 2.718 599 1HB PHE 73 2HB PHE 73 -5.944 1.704 3.458 600 2HB PHE 73 1HB PHE 73 -5.819 2.354 1.827 601 HD1 PHE 73 1HD PHE 73 -3.790 3.611 2.527 602 HD2 PHE 73 2HD PHE 73 -7.620 4.330 4.335 603 HE1 PHE 73 1HE PHE 73 -2.957 5.754 3.451 604 HE2 PHE 73 2HE PHE 73 -6.785 6.472 5.255 605 HZ PHE 73 HZ PHE 73 -4.454 7.182 4.813 606 H VAL 74 H VAL 74 -8.973 3.485 0.647 607 HA VAL 74 HA VAL 74 -8.952 0.894 -0.878 608 HB VAL 74 HB VAL 74 -11.088 3.056 -0.768 609 1HG1 VAL 74 1HG1 VAL 74 -10.965 1.869 -2.937 610 2HG1 VAL 74 2HG1 VAL 74 -12.436 1.452 -2.059 611 3HG1 VAL 74 3HG1 VAL 74 -11.081 0.326 -2.091 612 1HG2 VAL 74 1HG2 VAL 74 -11.659 0.292 0.140 613 2HG2 VAL 74 2HG2 VAL 74 -12.191 1.830 0.817 614 3HG2 VAL 74 3HG2 VAL 74 -10.580 1.218 1.184 615 H ILE 75 H ILE 75 -8.457 1.083 -3.105 616 HA ILE 75 HA ILE 75 -7.921 3.843 -4.144 617 HB ILE 75 HB ILE 75 -5.801 2.996 -3.431 618 1HG1 ILE 75 2HG1 ILE 75 -5.512 2.055 -6.220 619 2HG1 ILE 75 1HG1 ILE 75 -6.274 3.636 -6.051 620 1HG2 ILE 75 1HG2 ILE 75 -6.341 0.669 -3.069 621 2HG2 ILE 75 2HG2 ILE 75 -4.987 0.738 -4.196 622 3HG2 ILE 75 3HG2 ILE 75 -6.614 0.413 -4.792 623 1HD1 ILE 75 1HD1 ILE 75 -3.677 2.878 -4.688 624 2HD1 ILE 75 2HD1 ILE 75 -4.401 4.484 -4.788 625 3HD1 ILE 75 3HD1 ILE 75 -3.758 3.714 -6.238 626 H ARG 76 H ARG 76 -9.311 4.062 -5.844 627 HA ARG 76 HA ARG 76 -10.225 1.739 -7.402 628 1HB ARG 76 2HB ARG 76 -10.742 4.723 -7.406 629 2HB ARG 76 1HB ARG 76 -11.440 3.664 -8.629 630 1HG ARG 76 2HG ARG 76 -11.808 2.554 -5.972 631 2HG ARG 76 1HG ARG 76 -12.476 4.182 -6.072 632 1HD ARG 76 2HD ARG 76 -13.605 3.431 -8.257 633 2HD ARG 76 1HD ARG 76 -13.176 1.779 -7.775 634 HE ARG 76 HE ARG 76 -14.735 1.919 -5.994 635 1HH1 ARG 76 1HH2 ARG 76 -14.132 5.053 -7.395 636 2HH1 ARG 76 2HH2 ARG 76 -15.432 5.812 -6.544 637 1HH2 ARG 76 1HH1 ARG 76 -16.425 2.927 -4.895 638 2HH2 ARG 76 2HH1 ARG 76 -16.730 4.615 -5.138 639 H CYS 77 H CYS 77 -9.258 4.855 -8.812 640 HA CYS 77 HA CYS 77 -7.745 5.403 -10.528 641 1HB CYS 77 2HB CYS 77 -6.309 3.990 -8.851 642 2HB CYS 77 1HB CYS 77 -6.412 2.739 -10.089 643 H LEU 78 H LEU 78 -8.157 5.287 -12.685 644 HA LEU 78 HA LEU 78 -8.885 4.472 -14.771 645 1HB LEU 78 2HB LEU 78 -6.939 2.796 -13.706 646 2HB LEU 78 1HB LEU 78 -8.219 1.674 -14.163 647 HG LEU 78 HG LEU 78 -6.696 1.983 -16.047 648 1HD1 LEU 78 1HD1 LEU 78 -9.225 1.829 -16.390 649 2HD1 LEU 78 2HD1 LEU 78 -8.303 2.507 -17.731 650 3HD1 LEU 78 3HD1 LEU 78 -9.197 3.573 -16.650 651 1HD2 LEU 78 1HD2 LEU 78 -6.088 4.075 -16.923 652 2HD2 LEU 78 2HD2 LEU 78 -6.092 4.377 -15.185 653 3HD2 LEU 78 3HD2 LEU 78 -7.458 4.895 -16.174 654 H GLN 79 H GLN 79 -11.162 4.838 -14.081 655 HA GLN 79 HA GLN 79 -12.633 2.348 -13.317 656 1HB GLN 79 2HB GLN 79 -14.462 4.010 -12.790 657 2HB GLN 79 1HB GLN 79 -12.987 4.254 -11.859 658 1HG GLN 79 2HG GLN 79 -12.323 6.110 -13.222 659 2HG GLN 79 1HG GLN 79 -13.556 5.750 -14.430 660 1HE2 GLN 79 1HE2 GLN 79 -15.872 6.081 -13.741 661 2HE2 GLN 79 2HE2 GLN 79 -16.215 7.205 -12.517 662 H TRP 80 H TRP 80 -12.115 1.786 -15.738 663 HA TRP 80 HA TRP 80 -13.899 3.140 -17.686 664 1HB TRP 80 2HB TRP 80 -11.499 1.440 -17.674 665 2HB TRP 80 1HB TRP 80 -12.653 0.995 -18.930 666 HD1 TRP 80 HD TRP 80 -10.874 4.160 -17.598 667 HE1 TRP 80 1HE TRP 80 -10.495 5.761 -19.583 668 HE3 TRP 80 3HE TRP 80 -13.212 1.537 -21.305 669 HZ2 TRP 80 2HZ TRP 80 -11.103 5.908 -22.375 670 HZ3 TRP 80 3HZ TRP 80 -13.298 2.430 -23.615 671 HH2 TRP 80 HH TRP 80 -12.247 4.611 -24.154 672 H THR 81 H THR 81 -13.249 -0.319 -16.961 673 HA THR 81 HA THR 81 -16.200 -0.824 -17.002 674 HB THR 81 HB THR 81 -15.485 -2.922 -18.380 675 HG1 THR 81 1HG THR 81 -13.389 -2.962 -18.563 676 1HG2 THR 81 1HG2 THR 81 -15.227 -0.204 -19.691 677 2HG2 THR 81 2HG2 THR 81 -16.766 -0.934 -19.234 678 3HG2 THR 81 3HG2 THR 81 -15.751 -1.705 -20.453 679 H THR 82 H THR 82 -15.920 -1.043 -14.645 680 HA THR 82 HA THR 82 -15.540 -2.262 -12.662 681 HB THR 82 HB THR 82 -15.543 -4.516 -14.706 682 HG1 THR 82 1HG THR 82 -17.629 -3.276 -13.232 683 1HG2 THR 82 1HG2 THR 82 -16.624 -5.672 -12.608 684 2HG2 THR 82 2HG2 THR 82 -15.762 -4.420 -11.712 685 3HG2 THR 82 3HG2 THR 82 -14.868 -5.551 -12.728 686 H VAL 83 H VAL 83 -13.337 -1.208 -12.617 687 HA VAL 83 HA VAL 83 -11.029 -2.774 -13.530 688 HB VAL 83 HB VAL 83 -11.217 -0.255 -13.434 689 1HG1 VAL 83 1HG1 VAL 83 -12.366 -0.066 -11.273 690 2HG1 VAL 83 2HG1 VAL 83 -10.844 0.823 -11.233 691 3HG1 VAL 83 3HG1 VAL 83 -10.965 -0.754 -10.451 692 1HG2 VAL 83 1HG2 VAL 83 -9.028 -1.631 -13.395 693 2HG2 VAL 83 2HG2 VAL 83 -8.949 -1.207 -11.683 694 3HG2 VAL 83 3HG2 VAL 83 -8.932 0.062 -12.908 695 H ILE 84 H ILE 84 -9.337 -3.511 -11.974 696 HA ILE 84 HA ILE 84 -10.472 -5.092 -9.815 697 HB ILE 84 HB ILE 84 -8.026 -5.659 -9.457 698 1HG1 ILE 84 2HG1 ILE 84 -7.278 -4.285 -11.974 699 2HG1 ILE 84 1HG1 ILE 84 -7.523 -3.218 -10.592 700 1HG2 ILE 84 1HG2 ILE 84 -9.129 -5.782 -12.279 701 2HG2 ILE 84 2HG2 ILE 84 -9.377 -6.971 -11.001 702 3HG2 ILE 84 3HG2 ILE 84 -7.772 -6.743 -11.694 703 1HD1 ILE 84 1HD1 ILE 84 -5.981 -4.650 -9.254 704 2HD1 ILE 84 2HD1 ILE 84 -5.188 -3.930 -10.656 705 3HD1 ILE 84 3HD1 ILE 84 -5.680 -5.623 -10.694 706 H GLU 85 H GLU 85 -11.411 -3.424 -8.438 707 HA GLU 85 HA GLU 85 -10.006 -1.226 -7.283 708 1HB GLU 85 2HB GLU 85 -12.519 -2.624 -7.047 709 2HB GLU 85 1HB GLU 85 -11.908 -2.250 -5.436 710 1HG GLU 85 2HG GLU 85 -11.693 -0.082 -7.458 711 2HG GLU 85 1HG GLU 85 -13.321 -0.480 -6.908 712 H ARG 86 H ARG 86 -8.718 -1.058 -5.424 713 HA ARG 86 HA ARG 86 -7.966 -3.643 -4.085 714 1HB ARG 86 2HB ARG 86 -6.458 -1.741 -5.525 715 2HB ARG 86 1HB ARG 86 -6.039 -1.492 -3.830 716 1HG ARG 86 2HG ARG 86 -4.533 -3.167 -4.438 717 2HG ARG 86 1HG ARG 86 -5.865 -4.114 -3.776 718 1HD ARG 86 2HD ARG 86 -5.487 -5.213 -5.821 719 2HD ARG 86 1HD ARG 86 -6.739 -4.047 -6.286 720 HE ARG 86 HE ARG 86 -5.104 -2.804 -7.465 721 1HH1 ARG 86 1HH2 ARG 86 -3.624 -5.193 -5.407 722 2HH1 ARG 86 2HH2 ARG 86 -2.033 -4.902 -6.019 723 1HH2 ARG 86 1HH1 ARG 86 -3.025 -2.449 -8.259 724 2HH2 ARG 86 2HH1 ARG 86 -1.694 -3.366 -7.637 725 H THR 87 H THR 87 -8.477 -3.726 -1.936 726 HA THR 87 HA THR 87 -8.694 -1.149 -0.409 727 HB THR 87 HB THR 87 -10.515 -3.580 -0.287 728 HG1 THR 87 1HG THR 87 -11.059 -2.510 -2.093 729 1HG2 THR 87 1HG2 THR 87 -10.411 -0.973 1.220 730 2HG2 THR 87 2HG2 THR 87 -10.555 -2.609 1.860 731 3HG2 THR 87 3HG2 THR 87 -11.925 -1.859 1.040 732 H PHE 88 H PHE 88 -7.705 -1.218 1.611 733 HA PHE 88 HA PHE 88 -7.056 -3.858 2.805 734 1HB PHE 88 2HB PHE 88 -4.754 -3.586 2.669 735 2HB PHE 88 1HB PHE 88 -5.251 -2.803 1.174 736 HD1 PHE 88 1HD PHE 88 -4.669 -0.555 0.756 737 HD2 PHE 88 2HD PHE 88 -4.454 -2.097 4.760 738 HE1 PHE 88 1HE PHE 88 -3.561 1.536 1.506 739 HE2 PHE 88 2HE PHE 88 -3.359 -0.006 5.505 740 HZ PHE 88 HZ PHE 88 -2.904 1.806 3.886 741 H HIS 89 H HIS 89 -6.591 -3.720 5.081 742 HA HIS 89 HA HIS 89 -7.636 -1.227 6.373 743 1HB HIS 89 2HB HIS 89 -7.443 -4.140 7.207 744 2HB HIS 89 1HB HIS 89 -7.996 -2.863 8.288 745 HD1 HIS 89 1HD HIS 89 -10.269 -4.413 8.169 746 HD2 HIS 89 2HD HIS 89 -9.317 -2.218 4.757 747 HE1 HIS 89 1HE HIS 89 -12.384 -4.286 6.781 748 H VAL 90 H VAL 90 -6.480 -0.427 8.279 749 HA VAL 90 HA VAL 90 -3.566 -1.047 8.181 750 HB VAL 90 HB VAL 90 -3.413 1.039 9.562 751 1HG1 VAL 90 1HG1 VAL 90 -4.440 2.534 7.714 752 2HG1 VAL 90 2HG1 VAL 90 -4.876 1.019 6.927 753 3HG1 VAL 90 3HG1 VAL 90 -3.182 1.392 7.246 754 1HG2 VAL 90 1HG2 VAL 90 -6.087 0.505 10.142 755 2HG2 VAL 90 2HG2 VAL 90 -6.167 1.874 9.033 756 3HG2 VAL 90 3HG2 VAL 90 -5.225 1.996 10.519 757 H ASP 91 H ASP 91 -2.385 -1.466 10.170 758 HA ASP 91 HA ASP 91 -3.759 -3.291 11.972 759 1HB ASP 91 2HB ASP 91 -1.029 -2.287 11.417 760 2HB ASP 91 1HB ASP 91 -1.304 -2.812 13.078 761 H SER 92 H SER 92 -2.945 0.131 12.078 762 HA SER 92 HA SER 92 -4.385 0.379 14.661 763 1HB SER 92 2HB SER 92 -2.419 1.754 15.523 764 2HB SER 92 1HB SER 92 -2.110 0.027 15.371 765 HG SER 92 HG SER 92 -0.736 1.961 14.304 766 HA PRO 93 HA PRO 93 -5.811 4.144 12.891 767 1HB PRO 93 2HB PRO 93 -5.789 5.880 15.022 768 2HB PRO 93 1HB PRO 93 -6.996 4.591 14.825 769 1HG PRO 93 2HG PRO 93 -4.517 4.617 16.490 770 2HG PRO 93 1HG PRO 93 -6.137 4.021 16.892 771 1HD PRO 93 2HD PRO 93 -4.151 2.353 16.183 772 2HD PRO 93 1HD PRO 93 -5.844 2.041 15.732 773 H ASP 94 H ASP 94 -2.918 4.515 14.948 774 HA ASP 94 HA ASP 94 -1.980 6.983 13.825 775 1HB ASP 94 2HB ASP 94 -0.986 4.752 15.505 776 2HB ASP 94 1HB ASP 94 0.267 5.643 14.641 777 H GLU 95 H GLU 95 -1.669 3.601 12.794 778 HA GLU 95 HA GLU 95 0.413 4.013 10.838 779 1HB GLU 95 2HB GLU 95 -1.449 1.931 11.733 780 2HB GLU 95 1HB GLU 95 -1.145 1.864 9.997 781 1HG GLU 95 2HG GLU 95 1.370 2.190 10.735 782 2HG GLU 95 1HG GLU 95 0.786 1.549 12.269 783 H ARG 96 H ARG 96 -3.173 3.839 10.514 784 HA ARG 96 HA ARG 96 -3.330 4.281 7.714 785 1HB ARG 96 2HB ARG 96 -5.117 3.722 9.518 786 2HB ARG 96 1HB ARG 96 -5.244 5.468 9.725 787 1HG ARG 96 2HG ARG 96 -5.337 5.247 6.994 788 2HG ARG 96 1HG ARG 96 -6.158 3.766 7.487 789 1HD ARG 96 2HD ARG 96 -7.873 5.446 7.329 790 2HD ARG 96 1HD ARG 96 -7.555 5.254 9.064 791 HE ARG 96 HE ARG 96 -5.854 7.260 7.767 792 1HH1 ARG 96 1HH2 ARG 96 -8.886 6.626 9.357 793 2HH1 ARG 96 2HH2 ARG 96 -9.057 8.248 9.934 794 1HH2 ARG 96 1HH1 ARG 96 -6.092 9.367 8.523 795 2HH2 ARG 96 2HH1 ARG 96 -7.485 9.797 9.458 796 H GLU 97 H GLU 97 -3.053 6.630 10.388 797 HA GLU 97 HA GLU 97 -3.300 9.007 8.759 798 1HB GLU 97 2HB GLU 97 -3.415 8.524 11.366 799 2HB GLU 97 1HB GLU 97 -1.683 8.856 11.292 800 1HG GLU 97 2HG GLU 97 -2.603 10.979 11.713 801 2HG GLU 97 1HG GLU 97 -2.379 10.987 9.965 802 H GLU 98 H GLU 98 -0.542 7.012 9.811 803 HA GLU 98 HA GLU 98 1.536 8.750 8.810 804 1HB GLU 98 2HB GLU 98 1.321 5.806 9.492 805 2HB GLU 98 1HB GLU 98 2.838 6.538 8.971 806 1HG GLU 98 2HG GLU 98 1.315 7.876 11.170 807 2HG GLU 98 1HG GLU 98 2.201 6.401 11.552 808 H TRP 99 H TRP 99 -0.317 6.061 7.375 809 HA TRP 99 HA TRP 99 1.238 5.821 4.962 810 1HB TRP 99 2HB TRP 99 -1.675 5.219 5.587 811 2HB TRP 99 1HB TRP 99 -0.823 4.646 4.154 812 HD1 TRP 99 HD TRP 99 -1.932 3.215 7.116 813 HE1 TRP 99 1HE TRP 99 -0.370 1.413 8.074 814 HE3 TRP 99 3HE TRP 99 2.347 4.294 4.538 815 HZ2 TRP 99 2HZ TRP 99 2.330 0.529 7.779 816 HZ3 TRP 99 3HZ TRP 99 4.398 2.951 4.899 817 HH2 TRP 99 HH TRP 99 4.394 1.070 6.518 818 H MET 100 H MET 100 -1.773 7.646 5.692 819 HA MET 100 HA MET 100 -2.177 8.778 3.109 820 1HB MET 100 2HB MET 100 -3.215 8.981 5.754 821 2HB MET 100 1HB MET 100 -2.860 10.624 5.220 822 1HG MET 100 2HG MET 100 -4.230 8.811 3.281 823 2HG MET 100 1HG MET 100 -5.180 9.433 4.630 824 1HE MET 100 1HE MET 100 -3.633 11.515 0.942 825 2HE MET 100 2HE MET 100 -4.671 10.095 1.043 826 3HE MET 100 3HE MET 100 -3.023 10.018 1.660 827 H ARG 101 H ARG 101 -0.303 10.030 5.898 828 HA ARG 101 HA ARG 101 0.569 12.462 4.625 829 1HB ARG 101 2HB ARG 101 0.546 11.783 7.098 830 2HB ARG 101 1HB ARG 101 2.013 10.865 6.757 831 1HG ARG 101 2HG ARG 101 2.817 12.955 7.508 832 2HG ARG 101 1HG ARG 101 2.926 13.067 5.752 833 1HD ARG 101 2HD ARG 101 0.987 14.438 5.603 834 2HD ARG 101 1HD ARG 101 0.480 14.035 7.257 835 HE ARG 101 HE ARG 101 3.056 15.140 7.491 836 1HH1 ARG 101 1HH2 ARG 101 -0.072 16.120 6.326 837 2HH1 ARG 101 2HH2 ARG 101 0.174 17.787 6.716 838 1HH2 ARG 101 1HH1 ARG 101 3.365 17.317 7.992 839 2HH2 ARG 101 2HH1 ARG 101 2.113 18.464 7.654 840 H ALA 102 H ALA 102 2.071 9.229 4.927 841 HA ALA 102 HA ALA 102 4.537 9.876 3.591 842 1HB ALA 102 1HB ALA 102 4.706 7.400 3.440 843 2HB ALA 102 2HB ALA 102 3.002 7.270 3.880 844 3HB ALA 102 3HB ALA 102 4.165 7.914 5.039 845 H ILE 103 H ILE 103 1.438 8.535 2.410 846 HA ILE 103 HA ILE 103 2.212 8.070 -0.304 847 HB ILE 103 HB ILE 103 -0.397 8.710 1.101 848 1HG1 ILE 103 2HG1 ILE 103 0.380 6.131 -0.247 849 2HG1 ILE 103 1HG1 ILE 103 0.981 6.499 1.368 850 1HG2 ILE 103 1HG2 ILE 103 -0.953 9.393 -1.065 851 2HG2 ILE 103 2HG2 ILE 103 -1.354 7.677 -1.116 852 3HG2 ILE 103 3HG2 ILE 103 0.159 8.249 -1.819 853 1HD1 ILE 103 1HD1 ILE 103 -1.573 7.080 1.817 854 2HD1 ILE 103 2HD1 ILE 103 -0.993 5.419 1.918 855 3HD1 ILE 103 3HD1 ILE 103 -1.825 5.976 0.466 856 H GLN 104 H GLN 104 0.825 10.946 1.297 857 HA GLN 104 HA GLN 104 0.587 12.568 -1.069 858 1HB GLN 104 2HB GLN 104 -0.455 12.796 1.280 859 2HB GLN 104 1HB GLN 104 1.074 13.532 1.756 860 1HG GLN 104 2HG GLN 104 -0.159 15.409 1.128 861 2HG GLN 104 1HG GLN 104 0.683 15.032 -0.373 862 1HE2 GLN 104 1HE2 GLN 104 -0.578 14.088 -2.137 863 2HE2 GLN 104 2HE2 GLN 104 -2.273 14.070 -2.100 864 H MET 105 H MET 105 3.191 12.236 1.368 865 HA MET 105 HA MET 105 4.878 14.333 0.412 866 1HB MET 105 2HB MET 105 5.061 13.126 2.583 867 2HB MET 105 1HB MET 105 5.585 11.681 1.719 868 1HG MET 105 2HG MET 105 7.459 13.146 0.740 869 2HG MET 105 1HG MET 105 7.031 14.322 1.982 870 1HE MET 105 1HE MET 105 7.670 10.878 1.060 871 2HE MET 105 2HE MET 105 8.290 10.009 2.461 872 3HE MET 105 3HE MET 105 9.377 11.012 1.504 873 H VAL 106 H VAL 106 4.821 10.852 -0.441 874 HA VAL 106 HA VAL 106 6.984 11.092 -2.376 875 HB VAL 106 HB VAL 106 4.835 8.983 -1.945 876 1HG1 VAL 106 1HG1 VAL 106 5.725 8.510 -4.064 877 2HG1 VAL 106 2HG1 VAL 106 6.749 7.552 -2.996 878 3HG1 VAL 106 3HG1 VAL 106 7.330 9.092 -3.627 879 1HG2 VAL 106 1HG2 VAL 106 7.512 9.538 -0.705 880 2HG2 VAL 106 2HG2 VAL 106 7.009 7.860 -0.913 881 3HG2 VAL 106 3HG2 VAL 106 6.029 8.962 0.056 882 H ALA 107 H ALA 107 3.416 10.965 -2.580 883 HA ALA 107 HA ALA 107 3.149 10.971 -5.420 884 1HB ALA 107 1HB ALA 107 1.432 12.154 -3.213 885 2HB ALA 107 2HB ALA 107 1.320 10.519 -3.863 886 3HB ALA 107 3HB ALA 107 0.886 11.899 -4.870 887 H ASN 108 H ASN 108 3.618 13.663 -3.113 888 HA ASN 108 HA ASN 108 3.223 15.760 -5.092 889 1HB ASN 108 2HB ASN 108 4.170 15.481 -2.272 890 2HB ASN 108 1HB ASN 108 4.608 16.960 -3.128 891 1HD2 ASN 108 1HD2 ASN 108 1.803 14.999 -2.090 892 2HD2 ASN 108 2HD2 ASN 108 0.677 16.264 -2.202 893 H SER 109 H SER 109 5.940 13.748 -4.159 894 HA SER 109 HA SER 109 7.979 15.512 -5.326 895 1HB SER 109 2HB SER 109 7.805 12.890 -3.911 896 2HB SER 109 1HB SER 109 9.222 13.159 -4.921 897 HG SER 109 HG SER 109 9.189 13.909 -2.592 898 H LEU 110 H LEU 110 6.317 12.476 -6.260 899 HA LEU 110 HA LEU 110 7.700 12.613 -8.916 900 1HB LEU 110 2HB LEU 110 7.447 10.269 -8.983 901 2HB LEU 110 1HB LEU 110 7.773 10.597 -7.284 902 HG LEU 110 HG LEU 110 5.015 10.831 -7.415 903 1HD1 LEU 110 1HD1 LEU 110 4.133 9.504 -9.019 904 2HD1 LEU 110 2HD1 LEU 110 5.316 8.229 -8.724 905 3HD1 LEU 110 3HD1 LEU 110 5.717 9.574 -9.791 906 1HD2 LEU 110 1HD2 LEU 110 6.678 8.363 -6.813 907 2HD2 LEU 110 2HD2 LEU 110 5.023 8.639 -6.269 908 3HD2 LEU 110 3HD2 LEU 110 6.329 9.668 -5.680 909 H LYS 111 H LYS 111 4.854 13.700 -7.653 910 HA LYS 111 HA LYS 111 2.775 14.276 -8.593 911 1HB LYS 111 2HB LYS 111 4.391 13.634 -11.087 912 2HB LYS 111 1HB LYS 111 2.811 14.413 -11.114 913 1HG LYS 111 2HG LYS 111 5.063 15.532 -9.447 914 2HG LYS 111 1HG LYS 111 4.904 15.939 -11.156 915 1HD LYS 111 2HD LYS 111 2.900 17.077 -10.843 916 2HD LYS 111 1HD LYS 111 2.500 16.181 -9.378 917 1HE LYS 111 2HE LYS 111 3.841 17.518 -8.027 918 2HE LYS 111 1HE LYS 111 4.939 17.937 -9.358 919 1HZ LYS 111 1HZ LYS 111 2.097 18.796 -9.162 920 2HZ LYS 111 2HZ LYS 111 3.195 19.229 -10.386 921 3HZ LYS 111 3HZ LYS 111 3.430 19.779 -8.796 Start of MODEL 19 1 1H MET 1 1H MET 1 10.998 4.825 -10.643 2 2H MET 1 2H MET 1 10.095 3.605 -11.402 3 3H MET 1 3H MET 1 11.327 4.407 -12.254 4 HA MET 1 HA MET 1 11.868 2.805 -9.809 5 1HB MET 1 2HB MET 1 10.672 1.675 -11.847 6 2HB MET 1 1HB MET 1 12.231 1.858 -12.651 7 1HG MET 1 2HG MET 1 12.921 0.833 -10.165 8 2HG MET 1 1HG MET 1 11.430 -0.024 -10.555 9 1HE MET 1 1HE MET 1 15.549 -0.291 -12.281 10 2HE MET 1 2HE MET 1 15.058 -0.941 -10.719 11 3HE MET 1 3HE MET 1 14.868 0.780 -11.048 12 H ASN 2 H ASN 2 13.175 5.114 -9.926 13 HA ASN 2 HA ASN 2 15.799 4.493 -11.250 14 1HB ASN 2 2HB ASN 2 14.104 6.974 -11.127 15 2HB ASN 2 1HB ASN 2 15.855 7.138 -11.264 16 1HD2 ASN 2 1HD2 ASN 2 16.874 6.430 -13.259 17 2HD2 ASN 2 2HD2 ASN 2 15.964 6.028 -14.634 18 H GLU 3 H GLU 3 16.768 3.682 -9.327 19 HA GLU 3 HA GLU 3 17.797 3.774 -7.202 20 1HB GLU 3 2HB GLU 3 18.435 5.995 -8.745 21 2HB GLU 3 1HB GLU 3 17.952 6.709 -7.206 22 1HG GLU 3 2HG GLU 3 19.640 5.629 -6.018 23 2HG GLU 3 1HG GLU 3 19.793 4.339 -7.211 24 H VAL 4 H VAL 4 15.266 3.357 -6.708 25 HA VAL 4 HA VAL 4 14.100 5.562 -5.090 26 HB VAL 4 HB VAL 4 13.069 2.822 -5.898 27 1HG1 VAL 4 1HG1 VAL 4 12.100 4.122 -3.833 28 2HG1 VAL 4 2HG1 VAL 4 10.993 3.436 -5.021 29 3HG1 VAL 4 3HG1 VAL 4 11.374 5.158 -5.062 30 1HG2 VAL 4 1HG2 VAL 4 13.285 5.381 -7.306 31 2HG2 VAL 4 2HG2 VAL 4 11.622 4.799 -7.226 32 3HG2 VAL 4 3HG2 VAL 4 12.877 3.787 -7.939 33 H SER 5 H SER 5 14.143 5.542 -2.885 34 HA SER 5 HA SER 5 15.243 3.126 -1.495 35 1HB SER 5 2HB SER 5 15.741 4.815 0.288 36 2HB SER 5 1HB SER 5 16.485 5.228 -1.254 37 HG SER 5 HG SER 5 15.417 7.020 -0.332 38 H VAL 6 H VAL 6 14.255 2.856 0.805 39 HA VAL 6 HA VAL 6 11.318 2.798 0.547 40 HB VAL 6 HB VAL 6 13.262 1.890 2.696 41 1HG1 VAL 6 1HG1 VAL 6 11.205 0.487 3.380 42 2HG1 VAL 6 2HG1 VAL 6 10.263 1.634 2.426 43 3HG1 VAL 6 3HG1 VAL 6 11.192 2.196 3.817 44 1HG2 VAL 6 1HG2 VAL 6 11.696 0.356 0.599 45 2HG2 VAL 6 2HG2 VAL 6 12.780 -0.350 1.796 46 3HG2 VAL 6 3HG2 VAL 6 13.425 0.694 0.528 47 H ILE 7 H ILE 7 9.936 4.223 1.547 48 HA ILE 7 HA ILE 7 11.158 6.398 3.187 49 HB ILE 7 HB ILE 7 8.887 6.089 1.279 50 1HG1 ILE 7 2HG1 ILE 7 9.662 8.391 0.665 51 2HG1 ILE 7 1HG1 ILE 7 10.858 8.295 1.957 52 1HG2 ILE 7 1HG2 ILE 7 8.814 7.912 3.690 53 2HG2 ILE 7 2HG2 ILE 7 7.551 6.832 3.097 54 3HG2 ILE 7 3HG2 ILE 7 7.946 8.299 2.204 55 1HD1 ILE 7 1HD1 ILE 7 12.020 6.512 0.888 56 2HD1 ILE 7 2HD1 ILE 7 11.670 7.671 -0.393 57 3HD1 ILE 7 3HD1 ILE 7 10.688 6.215 -0.229 58 H LYS 8 H LYS 8 8.582 3.924 3.269 59 HA LYS 8 HA LYS 8 8.544 4.104 6.213 60 1HB LYS 8 2HB LYS 8 6.911 5.781 4.767 61 2HB LYS 8 1HB LYS 8 5.849 4.402 5.048 62 1HG LYS 8 2HG LYS 8 5.891 4.662 7.356 63 2HG LYS 8 1HG LYS 8 7.463 5.462 7.342 64 1HD LYS 8 2HD LYS 8 5.500 6.995 5.843 65 2HD LYS 8 1HD LYS 8 4.956 6.711 7.496 66 1HE LYS 8 2HE LYS 8 7.063 7.617 8.381 67 2HE LYS 8 1HE LYS 8 7.670 7.850 6.729 68 1HZ LYS 8 1HZ LYS 8 6.656 9.888 7.557 69 2HZ LYS 8 2HZ LYS 8 5.198 9.066 7.868 70 3HZ LYS 8 3HZ LYS 8 5.747 9.260 6.269 71 H GLU 9 H GLU 9 7.934 2.149 7.101 72 HA GLU 9 HA GLU 9 6.599 0.129 5.326 73 1HB GLU 9 2HB GLU 9 8.193 -1.532 6.414 74 2HB GLU 9 1HB GLU 9 8.956 -0.375 5.328 75 1HG GLU 9 2HG GLU 9 8.762 0.499 8.153 76 2HG GLU 9 1HG GLU 9 9.829 -0.874 7.864 77 H GLY 10 H GLY 10 5.108 -1.227 6.431 78 1HA GLY 10 2HA GLY 10 4.993 -1.336 9.337 79 2HA GLY 10 1HA GLY 10 3.742 -0.294 8.668 80 H TRP 11 H TRP 11 2.731 -2.329 9.986 81 HA TRP 11 HA TRP 11 2.287 -4.645 8.170 82 1HB TRP 11 2HB TRP 11 1.875 -3.959 11.060 83 2HB TRP 11 1HB TRP 11 0.883 -5.236 10.359 84 HD1 TRP 11 HD TRP 11 4.489 -4.373 11.242 85 HE1 TRP 11 1HE TRP 11 5.912 -6.525 11.132 86 HE3 TRP 11 3HE TRP 11 1.073 -7.590 9.227 87 HZ2 TRP 11 2HZ TRP 11 5.631 -9.243 10.296 88 HZ3 TRP 11 3HZ TRP 11 1.681 -9.952 8.782 89 HH2 TRP 11 HH TRP 11 3.957 -10.779 9.312 90 H LEU 12 H LEU 12 0.293 -5.027 7.182 91 HA LEU 12 HA LEU 12 -1.972 -3.152 7.787 92 1HB LEU 12 2HB LEU 12 -0.694 -3.896 5.146 93 2HB LEU 12 1HB LEU 12 -2.329 -3.248 5.229 94 HG LEU 12 HG LEU 12 0.186 -1.892 6.249 95 1HD1 LEU 12 1HD1 LEU 12 -1.688 -1.316 3.934 96 2HD1 LEU 12 2HD1 LEU 12 0.002 -1.806 3.823 97 3HD1 LEU 12 3HD1 LEU 12 -0.415 -0.223 4.477 98 1HD2 LEU 12 1HD2 LEU 12 -1.681 0.035 6.321 99 2HD2 LEU 12 2HD2 LEU 12 -1.377 -1.015 7.705 100 3HD2 LEU 12 3HD2 LEU 12 -2.728 -1.353 6.622 101 H HIS 13 H HIS 13 -4.064 -4.099 7.461 102 HA HIS 13 HA HIS 13 -4.062 -7.072 7.447 103 1HB HIS 13 2HB HIS 13 -5.701 -4.868 8.516 104 2HB HIS 13 1HB HIS 13 -6.644 -6.223 7.890 105 HD1 HIS 13 1HD HIS 13 -6.690 -8.347 9.272 106 HD2 HIS 13 2HD HIS 13 -3.771 -5.671 10.577 107 HE1 HIS 13 1HE HIS 13 -5.750 -9.301 11.423 108 H LYS 14 H LYS 14 -4.410 -8.087 5.537 109 HA LYS 14 HA LYS 14 -6.221 -6.799 3.517 110 1HB LYS 14 2HB LYS 14 -3.719 -6.842 3.036 111 2HB LYS 14 1HB LYS 14 -3.840 -8.601 2.984 112 1HG LYS 14 2HG LYS 14 -4.325 -8.326 0.787 113 2HG LYS 14 1HG LYS 14 -5.920 -7.822 1.345 114 1HD LYS 14 2HD LYS 14 -4.477 -5.506 1.645 115 2HD LYS 14 1HD LYS 14 -3.731 -6.207 0.207 116 1HE LYS 14 2HE LYS 14 -6.216 -6.602 -0.567 117 2HE LYS 14 1HE LYS 14 -6.583 -5.335 0.618 118 1HZ LYS 14 1HZ LYS 14 -6.070 -4.352 -1.527 119 2HZ LYS 14 2HZ LYS 14 -4.570 -5.149 -1.564 120 3HZ LYS 14 3HZ LYS 14 -4.869 -3.948 -0.399 121 H ARG 15 H ARG 15 -7.852 -8.119 2.747 122 HA ARG 15 HA ARG 15 -8.542 -10.568 4.070 123 1HB ARG 15 2HB ARG 15 -10.307 -10.647 2.322 124 2HB ARG 15 1HB ARG 15 -10.156 -9.037 3.021 125 1HG ARG 15 2HG ARG 15 -9.686 -8.158 1.005 126 2HG ARG 15 1HG ARG 15 -8.343 -9.280 0.794 127 1HD ARG 15 2HD ARG 15 -9.543 -10.562 -0.649 128 2HD ARG 15 1HD ARG 15 -10.933 -10.603 0.450 129 HE ARG 15 HE ARG 15 -11.794 -8.638 -0.586 130 1HH1 ARG 15 1HH2 ARG 15 -8.592 -9.414 -1.730 131 2HH1 ARG 15 2HH2 ARG 15 -8.659 -8.280 -3.033 132 1HH2 ARG 15 1HH1 ARG 15 -11.848 -7.152 -2.278 133 2HH2 ARG 15 2HH1 ARG 15 -10.481 -6.999 -3.332 134 H GLY 16 H GLY 16 -8.552 -12.735 3.232 135 1HA GLY 16 2HA GLY 16 -6.190 -13.476 1.744 136 2HA GLY 16 1HA GLY 16 -7.469 -14.575 2.253 137 H GLU 17 H GLU 17 -7.341 -15.626 0.163 138 HA GLU 17 HA GLU 17 -7.678 -14.282 -2.347 139 1HB GLU 17 2HB GLU 17 -6.819 -16.628 -1.818 140 2HB GLU 17 1HB GLU 17 -8.506 -17.109 -1.637 141 1HG GLU 17 2HG GLU 17 -8.911 -17.010 -3.882 142 2HG GLU 17 1HG GLU 17 -7.880 -15.596 -4.106 143 H TYR 18 H TYR 18 -10.117 -16.370 -0.712 144 HA TYR 18 HA TYR 18 -12.229 -14.454 -1.634 145 1HB TYR 18 2HB TYR 18 -13.538 -16.381 -2.417 146 2HB TYR 18 1HB TYR 18 -11.964 -16.360 -3.206 147 HD1 TYR 18 1HD TYR 18 -14.090 -18.068 -0.731 148 HD2 TYR 18 2HD TYR 18 -10.241 -18.012 -2.638 149 HE1 TYR 18 1HE TYR 18 -13.635 -20.352 0.120 150 HE2 TYR 18 2HE TYR 18 -9.786 -20.296 -1.785 151 HH TYR 18 HH TYR 18 -11.838 -22.372 -0.903 152 H ILE 19 H ILE 19 -10.898 -15.497 1.077 153 HA ILE 19 HA ILE 19 -13.293 -16.511 2.480 154 HB ILE 19 HB ILE 19 -10.851 -17.248 2.797 155 1HG1 ILE 19 2HG1 ILE 19 -11.131 -17.279 5.356 156 2HG1 ILE 19 1HG1 ILE 19 -12.629 -16.389 5.085 157 1HG2 ILE 19 1HG2 ILE 19 -10.576 -14.941 4.684 158 2HG2 ILE 19 2HG2 ILE 19 -10.225 -14.668 2.978 159 3HG2 ILE 19 3HG2 ILE 19 -9.324 -15.886 3.879 160 1HD1 ILE 19 1HD1 ILE 19 -12.268 -18.772 3.370 161 2HD1 ILE 19 2HD1 ILE 19 -13.702 -18.208 4.226 162 3HD1 ILE 19 3HD1 ILE 19 -12.460 -19.113 5.089 163 H LYS 20 H LYS 20 -14.281 -15.343 4.258 164 HA LYS 20 HA LYS 20 -14.286 -12.412 3.881 165 1HB LYS 20 2HB LYS 20 -16.181 -14.313 4.409 166 2HB LYS 20 1HB LYS 20 -15.877 -13.694 6.032 167 1HG LYS 20 2HG LYS 20 -16.589 -11.537 5.489 168 2HG LYS 20 1HG LYS 20 -16.281 -11.761 3.766 169 1HD LYS 20 2HD LYS 20 -18.144 -13.572 3.895 170 2HD LYS 20 1HD LYS 20 -18.587 -12.788 5.411 171 1HE LYS 20 2HE LYS 20 -19.237 -10.805 4.357 172 2HE LYS 20 1HE LYS 20 -18.193 -11.096 2.952 173 1HZ LYS 20 1HZ LYS 20 -20.578 -12.718 3.683 174 2HZ LYS 20 2HZ LYS 20 -19.581 -12.965 2.329 175 3HZ LYS 20 3HZ LYS 20 -20.531 -11.560 2.444 176 H THR 21 H THR 21 -11.805 -13.298 4.917 177 HA THR 21 HA THR 21 -11.882 -12.124 7.669 178 HB THR 21 HB THR 21 -10.224 -14.515 6.807 179 HG1 THR 21 1HG THR 21 -12.120 -15.447 6.937 180 1HG2 THR 21 1HG2 THR 21 -10.853 -13.330 9.523 181 2HG2 THR 21 2HG2 THR 21 -9.305 -13.228 8.684 182 3HG2 THR 21 3HG2 THR 21 -9.905 -14.790 9.243 183 H TRP 22 H TRP 22 -10.128 -10.766 8.099 184 HA TRP 22 HA TRP 22 -8.274 -10.232 5.813 185 1HB TRP 22 2HB TRP 22 -9.262 -8.585 8.162 186 2HB TRP 22 1HB TRP 22 -8.043 -8.015 7.024 187 HD1 TRP 22 HD TRP 22 -11.653 -9.418 6.928 188 HE1 TRP 22 1HE TRP 22 -12.905 -8.276 4.988 189 HE3 TRP 22 3HE TRP 22 -7.887 -6.556 5.008 190 HZ2 TRP 22 2HZ TRP 22 -12.383 -6.394 2.898 191 HZ3 TRP 22 3HZ TRP 22 -8.291 -5.101 3.046 192 HH2 TRP 22 HH TRP 22 -10.531 -5.014 1.990 193 H ARG 23 H ARG 23 -6.088 -10.532 6.098 194 HA ARG 23 HA ARG 23 -5.130 -11.268 8.849 195 1HB ARG 23 2HB ARG 23 -4.557 -12.247 6.065 196 2HB ARG 23 1HB ARG 23 -3.319 -12.423 7.309 197 1HG ARG 23 2HG ARG 23 -6.162 -13.323 7.786 198 2HG ARG 23 1HG ARG 23 -4.980 -14.379 7.010 199 1HD ARG 23 2HD ARG 23 -3.449 -13.864 9.030 200 2HD ARG 23 1HD ARG 23 -4.915 -13.248 9.818 201 HE ARG 23 HE ARG 23 -4.387 -16.057 9.099 202 1HH1 ARG 23 1HH2 ARG 23 -6.748 -13.632 9.919 203 2HH1 ARG 23 2HH2 ARG 23 -7.886 -14.782 10.533 204 1HH2 ARG 23 1HH1 ARG 23 -5.875 -17.542 9.903 205 2HH2 ARG 23 2HH1 ARG 23 -7.394 -16.990 10.525 206 HA PRO 24 HA PRO 24 -2.372 -7.845 8.529 207 1HB PRO 24 2HB PRO 24 -0.449 -8.625 10.309 208 2HB PRO 24 1HB PRO 24 -2.058 -8.064 10.803 209 1HG PRO 24 2HG PRO 24 -0.982 -10.822 10.654 210 2HG PRO 24 1HG PRO 24 -2.132 -10.115 11.797 211 1HD PRO 24 2HD PRO 24 -2.812 -11.738 9.668 212 2HD PRO 24 1HD PRO 24 -3.918 -10.613 10.486 213 H ARG 25 H ARG 25 -0.625 -7.273 7.269 214 HA ARG 25 HA ARG 25 1.338 -9.368 6.406 215 1HB ARG 25 2HB ARG 25 -0.573 -7.687 4.805 216 2HB ARG 25 1HB ARG 25 0.991 -8.091 4.099 217 1HG ARG 25 2HG ARG 25 -0.058 -9.992 3.427 218 2HG ARG 25 1HG ARG 25 0.220 -10.519 5.086 219 1HD ARG 25 2HD ARG 25 -1.989 -9.987 5.753 220 2HD ARG 25 1HD ARG 25 -2.252 -8.945 4.342 221 HE ARG 25 HE ARG 25 -2.677 -10.872 3.041 222 1HH1 ARG 25 1HH2 ARG 25 -1.173 -11.708 6.072 223 2HH1 ARG 25 2HH2 ARG 25 -1.401 -13.409 5.849 224 1HH2 ARG 25 1HH1 ARG 25 -2.958 -13.090 2.763 225 2HH2 ARG 25 2HH1 ARG 25 -2.394 -14.190 3.976 226 H TYR 26 H TYR 26 3.448 -8.497 6.124 227 HA TYR 26 HA TYR 26 3.832 -5.723 7.084 228 1HB TYR 26 2HB TYR 26 5.212 -7.625 7.888 229 2HB TYR 26 1HB TYR 26 5.795 -7.882 6.246 230 HD1 TYR 26 1HD TYR 26 5.357 -4.966 8.583 231 HD2 TYR 26 2HD TYR 26 7.890 -7.010 5.780 232 HE1 TYR 26 1HE TYR 26 7.112 -3.248 8.915 233 HE2 TYR 26 2HE TYR 26 9.646 -5.295 6.115 234 HH TYR 26 HH TYR 26 9.718 -3.206 8.647 235 H PHE 27 H PHE 27 3.722 -4.103 5.597 236 HA PHE 27 HA PHE 27 4.731 -4.645 2.825 237 1HB PHE 27 2HB PHE 27 2.886 -3.507 2.026 238 2HB PHE 27 1HB PHE 27 2.201 -4.058 3.552 239 HD1 PHE 27 1HD PHE 27 3.393 -1.187 1.638 240 HD2 PHE 27 2HD PHE 27 2.073 -2.513 5.499 241 HE1 PHE 27 1HE PHE 27 3.063 1.170 2.332 242 HE2 PHE 27 2HE PHE 27 1.742 -0.159 6.194 243 HZ PHE 27 HZ PHE 27 2.237 1.682 4.612 244 H LEU 28 H LEU 28 5.645 -2.689 1.741 245 HA LEU 28 HA LEU 28 6.674 -0.606 3.602 246 1HB LEU 28 2HB LEU 28 8.841 -1.296 3.437 247 2HB LEU 28 1HB LEU 28 8.138 -2.838 2.970 248 HG LEU 28 HG LEU 28 8.658 -0.750 0.869 249 1HD1 LEU 28 1HD1 LEU 28 10.729 -1.098 2.313 250 2HD1 LEU 28 2HD1 LEU 28 10.921 -1.467 0.599 251 3HD1 LEU 28 3HD1 LEU 28 10.717 -2.774 1.765 252 1HD2 LEU 28 1HD2 LEU 28 8.947 -2.774 -0.525 253 2HD2 LEU 28 2HD2 LEU 28 7.391 -2.802 0.304 254 3HD2 LEU 28 3HD2 LEU 28 8.726 -3.787 0.901 255 H LEU 29 H LEU 29 6.788 1.397 2.639 256 HA LEU 29 HA LEU 29 6.017 1.580 -0.247 257 1HB LEU 29 2HB LEU 29 4.456 2.640 1.234 258 2HB LEU 29 1HB LEU 29 5.748 3.389 2.170 259 HG LEU 29 HG LEU 29 6.374 4.728 0.146 260 1HD1 LEU 29 1HD1 LEU 29 5.170 4.639 -1.843 261 2HD1 LEU 29 2HD1 LEU 29 3.727 3.996 -1.060 262 3HD1 LEU 29 3HD1 LEU 29 5.113 2.947 -1.350 263 1HD2 LEU 29 1HD2 LEU 29 3.458 5.230 0.620 264 2HD2 LEU 29 2HD2 LEU 29 4.801 6.372 0.600 265 3HD2 LEU 29 3HD2 LEU 29 4.560 5.320 1.995 266 H LYS 30 H LYS 30 7.499 2.387 -1.675 267 HA LYS 30 HA LYS 30 10.066 3.483 -0.598 268 1HB LYS 30 2HB LYS 30 9.190 2.304 -3.254 269 2HB LYS 30 1HB LYS 30 10.794 2.977 -2.979 270 1HG LYS 30 2HG LYS 30 10.959 1.370 -0.985 271 2HG LYS 30 1HG LYS 30 9.538 0.569 -1.656 272 1HD LYS 30 2HD LYS 30 12.165 1.015 -3.111 273 2HD LYS 30 1HD LYS 30 11.608 -0.520 -2.445 274 1HE LYS 30 2HE LYS 30 9.563 -0.327 -3.941 275 2HE LYS 30 1HE LYS 30 10.357 1.052 -4.724 276 1HZ LYS 30 1HZ LYS 30 12.236 -0.307 -5.265 277 2HZ LYS 30 2HZ LYS 30 10.843 -1.115 -5.808 278 3HZ LYS 30 3HZ LYS 30 11.622 -1.622 -4.383 279 H SER 31 H SER 31 11.052 5.148 -2.276 280 HA SER 31 HA SER 31 9.312 7.474 -2.370 281 1HB SER 31 2HB SER 31 11.919 7.161 -2.139 282 2HB SER 31 1HB SER 31 11.887 7.183 -3.899 283 HG SER 31 HG SER 31 10.771 9.159 -2.181 284 H ASP 32 H ASP 32 9.232 4.802 -4.327 285 HA ASP 32 HA ASP 32 9.073 6.065 -6.961 286 1HB ASP 32 2HB ASP 32 9.814 3.685 -6.275 287 2HB ASP 32 1HB ASP 32 8.098 3.334 -6.095 288 H GLY 33 H GLY 33 6.946 5.770 -4.287 289 1HA GLY 33 2HA GLY 33 4.729 6.623 -4.153 290 2HA GLY 33 1HA GLY 33 4.685 6.724 -5.915 291 H SER 34 H SER 34 5.686 3.845 -4.145 292 HA SER 34 HA SER 34 3.081 2.511 -4.535 293 1HB SER 34 2HB SER 34 3.671 1.817 -6.618 294 2HB SER 34 1HB SER 34 5.315 2.404 -6.417 295 HG SER 34 HG SER 34 5.924 0.479 -5.666 296 H PHE 35 H PHE 35 2.880 0.746 -3.127 297 HA PHE 35 HA PHE 35 5.338 -0.120 -1.659 298 1HB PHE 35 2HB PHE 35 3.987 -0.060 0.424 299 2HB PHE 35 1HB PHE 35 4.129 1.525 -0.320 300 HD1 PHE 35 1HD PHE 35 1.855 -1.362 0.210 301 HD2 PHE 35 2HD PHE 35 2.208 2.693 -1.162 302 HE1 PHE 35 1HE PHE 35 -0.615 -1.159 0.172 303 HE2 PHE 35 2HE PHE 35 -0.262 2.893 -1.204 304 HZ PHE 35 HZ PHE 35 -1.674 0.969 -0.534 305 H ILE 36 H ILE 36 5.427 -2.311 -1.163 306 HA ILE 36 HA ILE 36 3.217 -3.997 -2.296 307 HB ILE 36 HB ILE 36 6.207 -4.343 -1.959 308 1HG1 ILE 36 2HG1 ILE 36 5.693 -4.962 -4.509 309 2HG1 ILE 36 1HG1 ILE 36 4.273 -3.961 -4.210 310 1HG2 ILE 36 1HG2 ILE 36 4.336 -6.453 -3.052 311 2HG2 ILE 36 2HG2 ILE 36 4.856 -6.447 -1.368 312 3HG2 ILE 36 3HG2 ILE 36 6.046 -6.614 -2.656 313 1HD1 ILE 36 1HD1 ILE 36 6.934 -3.101 -4.750 314 2HD1 ILE 36 2HD1 ILE 36 6.557 -2.642 -3.091 315 3HD1 ILE 36 3HD1 ILE 36 5.520 -2.103 -4.412 316 H GLY 37 H GLY 37 2.172 -5.427 -0.945 317 1HA GLY 37 2HA GLY 37 3.013 -5.476 1.910 318 2HA GLY 37 1HA GLY 37 1.407 -5.888 1.313 319 H TYR 38 H TYR 38 4.009 -7.248 2.688 320 HA TYR 38 HA TYR 38 4.039 -9.754 1.067 321 1HB TYR 38 2HB TYR 38 5.713 -8.418 3.154 322 2HB TYR 38 1HB TYR 38 5.762 -10.177 3.096 323 HD1 TYR 38 1HD TYR 38 6.461 -7.067 1.236 324 HD2 TYR 38 2HD TYR 38 6.725 -11.355 1.205 325 HE1 TYR 38 1HE TYR 38 8.010 -6.957 -0.696 326 HE2 TYR 38 2HE TYR 38 8.273 -11.246 -0.727 327 HH TYR 38 HH TYR 38 9.634 -9.830 -1.929 328 H LYS 39 H LYS 39 3.276 -11.745 1.958 329 HA LYS 39 HA LYS 39 1.102 -11.773 3.756 330 1HB LYS 39 2HB LYS 39 1.565 -14.208 3.889 331 2HB LYS 39 1HB LYS 39 1.735 -13.618 2.239 332 1HG LYS 39 2HG LYS 39 4.267 -13.298 2.946 333 2HG LYS 39 1HG LYS 39 3.860 -14.506 4.163 334 1HD LYS 39 2HD LYS 39 2.793 -15.282 1.585 335 2HD LYS 39 1HD LYS 39 4.524 -14.974 1.463 336 1HE LYS 39 2HE LYS 39 4.469 -16.391 3.788 337 2HE LYS 39 1HE LYS 39 3.097 -17.123 2.933 338 1HZ LYS 39 1HZ LYS 39 4.531 -17.327 0.958 339 2HZ LYS 39 2HZ LYS 39 5.125 -18.225 2.274 340 3HZ LYS 39 3HZ LYS 39 5.845 -16.744 1.860 341 H GLU 40 H GLU 40 4.568 -11.970 4.432 342 HA GLU 40 HA GLU 40 3.990 -11.652 7.354 343 1HB GLU 40 2HB GLU 40 5.015 -13.914 6.068 344 2HB GLU 40 1HB GLU 40 6.454 -13.095 6.675 345 1HG GLU 40 2HG GLU 40 4.488 -12.973 8.733 346 2HG GLU 40 1HG GLU 40 4.529 -14.636 8.145 347 H ARG 41 H ARG 41 6.776 -11.395 8.049 348 HA ARG 41 HA ARG 41 7.494 -8.906 6.530 349 1HB ARG 41 2HB ARG 41 8.473 -8.178 8.733 350 2HB ARG 41 1HB ARG 41 6.730 -8.428 8.783 351 1HG ARG 41 2HG ARG 41 6.976 -10.553 9.873 352 2HG ARG 41 1HG ARG 41 8.714 -10.570 9.587 353 1HD ARG 41 2HD ARG 41 7.284 -8.521 11.319 354 2HD ARG 41 1HD ARG 41 8.169 -9.927 11.939 355 HE ARG 41 HE ARG 41 9.366 -7.529 10.745 356 1HH1 ARG 41 1HH2 ARG 41 9.745 -10.902 11.526 357 2HH1 ARG 41 2HH2 ARG 41 11.473 -10.836 11.482 358 1HH2 ARG 41 1HH1 ARG 41 11.617 -7.461 10.690 359 2HH2 ARG 41 2HH1 ARG 41 12.531 -8.896 11.009 360 HA PRO 42 HA PRO 42 11.018 -12.057 6.479 361 1HB PRO 42 2HB PRO 42 11.038 -12.625 3.805 362 2HB PRO 42 1HB PRO 42 10.079 -13.547 4.980 363 1HG PRO 42 2HG PRO 42 9.218 -11.427 3.082 364 2HG PRO 42 1HG PRO 42 8.377 -12.899 3.592 365 1HD PRO 42 2HD PRO 42 7.810 -10.397 4.554 366 2HD PRO 42 1HD PRO 42 7.488 -11.904 5.437 367 H GLU 43 H GLU 43 12.960 -10.974 6.405 368 HA GLU 43 HA GLU 43 13.236 -8.710 4.463 369 1HB GLU 43 2HB GLU 43 14.868 -7.817 6.098 370 2HB GLU 43 1HB GLU 43 13.308 -8.115 6.857 371 1HG GLU 43 2HG GLU 43 14.219 -10.361 7.615 372 2HG GLU 43 1HG GLU 43 15.801 -9.827 7.049 373 H ALA 44 H ALA 44 15.081 -11.433 5.920 374 HA ALA 44 HA ALA 44 16.888 -12.683 5.080 375 1HB ALA 44 1HB ALA 44 15.917 -13.464 3.190 376 2HB ALA 44 2HB ALA 44 16.772 -12.185 2.329 377 3HB ALA 44 3HB ALA 44 15.121 -11.922 2.884 378 HA PRO 45 HA PRO 45 20.377 -10.100 4.356 379 1HB PRO 45 2HB PRO 45 21.876 -11.439 2.490 380 2HB PRO 45 1HB PRO 45 21.724 -11.973 4.176 381 1HG PRO 45 2HG PRO 45 20.329 -12.970 1.743 382 2HG PRO 45 1HG PRO 45 20.963 -13.870 3.128 383 1HD PRO 45 2HD PRO 45 18.324 -13.289 2.809 384 2HD PRO 45 1HD PRO 45 19.091 -13.494 4.398 385 H ASP 46 H ASP 46 18.970 -11.271 1.282 386 HA ASP 46 HA ASP 46 19.545 -8.587 0.065 387 1HB ASP 46 2HB ASP 46 19.341 -11.386 -1.085 388 2HB ASP 46 1HB ASP 46 19.433 -9.939 -2.089 389 H GLN 47 H GLN 47 17.042 -10.300 1.417 390 HA GLN 47 HA GLN 47 14.703 -10.151 1.272 391 1HB GLN 47 2HB GLN 47 15.814 -7.663 0.707 392 2HB GLN 47 1HB GLN 47 14.718 -7.925 -0.649 393 1HG GLN 47 2HG GLN 47 13.926 -8.248 2.260 394 2HG GLN 47 1HG GLN 47 13.633 -6.790 1.312 395 1HE2 GLN 47 1HE2 GLN 47 12.164 -9.653 2.272 396 2HE2 GLN 47 2HE2 GLN 47 11.014 -9.789 1.032 397 H THR 48 H THR 48 15.865 -12.036 -0.403 398 HA THR 48 HA THR 48 14.830 -11.665 -3.130 399 HB THR 48 HB THR 48 17.019 -12.733 -2.580 400 HG1 THR 48 1HG THR 48 15.157 -14.492 -3.797 401 1HG2 THR 48 1HG2 THR 48 15.888 -15.324 -1.864 402 2HG2 THR 48 2HG2 THR 48 15.532 -14.090 -0.655 403 3HG2 THR 48 3HG2 THR 48 17.204 -14.428 -1.105 404 H LEU 49 H LEU 49 12.666 -11.483 -1.602 405 HA LEU 49 HA LEU 49 11.338 -14.174 -1.713 406 1HB LEU 49 2HB LEU 49 10.920 -11.763 0.085 407 2HB LEU 49 1HB LEU 49 9.876 -13.184 0.093 408 HG LEU 49 HG LEU 49 12.533 -14.155 0.249 409 1HD1 LEU 49 1HD1 LEU 49 13.212 -13.017 2.415 410 2HD1 LEU 49 2HD1 LEU 49 11.993 -11.792 2.064 411 3HD1 LEU 49 3HD1 LEU 49 13.359 -12.018 0.970 412 1HD2 LEU 49 1HD2 LEU 49 11.702 -14.670 2.659 413 2HD2 LEU 49 2HD2 LEU 49 10.800 -15.355 1.307 414 3HD2 LEU 49 3HD2 LEU 49 10.192 -13.923 2.137 415 HA PRO 50 HA PRO 50 8.717 -12.302 -4.746 416 1HB PRO 50 2HB PRO 50 6.633 -14.077 -4.650 417 2HB PRO 50 1HB PRO 50 8.184 -14.443 -5.431 418 1HG PRO 50 2HG PRO 50 7.172 -15.264 -2.757 419 2HG PRO 50 1HG PRO 50 8.133 -16.177 -3.931 420 1HD PRO 50 2HD PRO 50 9.184 -14.999 -1.703 421 2HD PRO 50 1HD PRO 50 10.109 -15.298 -3.190 422 HA PRO 51 HA PRO 51 6.107 -9.843 -2.104 423 1HB PRO 51 2HB PRO 51 4.931 -8.348 -4.075 424 2HB PRO 51 1HB PRO 51 6.586 -8.067 -3.501 425 1HG PRO 51 2HG PRO 51 5.651 -9.514 -5.932 426 2HG PRO 51 1HG PRO 51 7.017 -8.404 -5.736 427 1HD PRO 51 2HD PRO 51 7.313 -11.097 -5.815 428 2HD PRO 51 1HD PRO 51 8.394 -10.035 -4.884 429 H LEU 52 H LEU 52 3.953 -9.991 -1.412 430 HA LEU 52 HA LEU 52 2.259 -12.013 -2.768 431 1HB LEU 52 2HB LEU 52 2.715 -10.966 -0.092 432 2HB LEU 52 1HB LEU 52 0.995 -10.986 -0.469 433 HG LEU 52 HG LEU 52 1.799 -13.117 0.565 434 1HD1 LEU 52 1HD1 LEU 52 0.820 -14.616 -1.222 435 2HD1 LEU 52 2HD1 LEU 52 0.766 -13.207 -2.280 436 3HD1 LEU 52 3HD1 LEU 52 -0.183 -13.231 -0.793 437 1HD2 LEU 52 1HD2 LEU 52 3.256 -14.597 -0.689 438 2HD2 LEU 52 2HD2 LEU 52 4.067 -13.040 -0.525 439 3HD2 LEU 52 3HD2 LEU 52 3.295 -13.476 -2.050 440 H ASN 53 H ASN 53 2.062 -8.584 -1.747 441 HA ASN 53 HA ASN 53 -0.179 -8.228 -3.712 442 1HB ASN 53 2HB ASN 53 -0.447 -8.264 -0.988 443 2HB ASN 53 1HB ASN 53 -0.155 -6.548 -1.270 444 1HD2 ASN 53 1HD2 ASN 53 -2.204 -9.241 -2.541 445 2HD2 ASN 53 2HD2 ASN 53 -3.542 -8.253 -2.878 446 H ASN 54 H ASN 54 0.265 -6.597 -5.149 447 HA ASN 54 HA ASN 54 2.475 -4.683 -4.487 448 1HB ASN 54 2HB ASN 54 2.685 -6.222 -6.462 449 2HB ASN 54 1HB ASN 54 1.252 -5.465 -7.157 450 1HD2 ASN 54 1HD2 ASN 54 4.691 -5.089 -6.665 451 2HD2 ASN 54 2HD2 ASN 54 4.835 -3.579 -7.425 452 H PHE 55 H PHE 55 1.848 -2.589 -4.081 453 HA PHE 55 HA PHE 55 -0.783 -1.660 -5.198 454 1HB PHE 55 2HB PHE 55 0.224 -1.937 -2.482 455 2HB PHE 55 1HB PHE 55 -0.246 -0.271 -2.816 456 HD1 PHE 55 1HD PHE 55 -1.525 -3.702 -3.674 457 HD2 PHE 55 2HD PHE 55 -2.445 0.256 -2.285 458 HE1 PHE 55 1HE PHE 55 -3.913 -4.328 -3.475 459 HE2 PHE 55 2HE PHE 55 -4.835 -0.372 -2.084 460 HZ PHE 55 HZ PHE 55 -5.566 -2.662 -2.680 461 H SER 56 H SER 56 -0.695 0.302 -6.248 462 HA SER 56 HA SER 56 1.767 1.981 -5.893 463 1HB SER 56 2HB SER 56 1.448 2.411 -8.410 464 2HB SER 56 1HB SER 56 2.028 0.813 -7.954 465 HG SER 56 HG SER 56 0.211 -0.028 -8.630 466 H VAL 57 H VAL 57 1.425 4.265 -6.173 467 HA VAL 57 HA VAL 57 -1.416 5.174 -6.403 468 HB VAL 57 HB VAL 57 -0.657 4.823 -4.014 469 1HG1 VAL 57 1HG1 VAL 57 1.622 5.397 -3.974 470 2HG1 VAL 57 2HG1 VAL 57 0.853 6.779 -3.195 471 3HG1 VAL 57 3HG1 VAL 57 1.362 6.887 -4.879 472 1HG2 VAL 57 1HG2 VAL 57 -1.136 7.746 -4.638 473 2HG2 VAL 57 2HG2 VAL 57 -1.649 6.845 -3.212 474 3HG2 VAL 57 3HG2 VAL 57 -2.401 6.525 -4.774 475 H ALA 58 H ALA 58 0.821 5.315 -8.331 476 HA ALA 58 HA ALA 58 1.857 8.062 -8.282 477 1HB ALA 58 1HB ALA 58 1.875 5.832 -10.343 478 2HB ALA 58 2HB ALA 58 3.163 6.213 -9.200 479 3HB ALA 58 3HB ALA 58 2.778 7.338 -10.503 480 H GLU 59 H GLU 59 -0.177 6.296 -10.665 481 HA GLU 59 HA GLU 59 -1.412 8.908 -11.445 482 1HB GLU 59 2HB GLU 59 -1.103 6.200 -12.765 483 2HB GLU 59 1HB GLU 59 -2.117 7.471 -13.445 484 1HG GLU 59 2HG GLU 59 0.167 8.873 -12.969 485 2HG GLU 59 1HG GLU 59 0.837 7.279 -13.318 486 H CYS 60 H CYS 60 -2.108 6.477 -9.309 487 HA CYS 60 HA CYS 60 -4.981 6.210 -10.035 488 1HB CYS 60 2HB CYS 60 -3.256 4.955 -7.873 489 2HB CYS 60 1HB CYS 60 -4.926 4.510 -8.220 490 H GLN 61 H GLN 61 -6.314 6.109 -7.743 491 HA GLN 61 HA GLN 61 -5.666 8.613 -6.220 492 1HB GLN 61 2HB GLN 61 -7.391 8.998 -7.937 493 2HB GLN 61 1HB GLN 61 -8.331 7.643 -7.314 494 1HG GLN 61 2HG GLN 61 -7.733 9.379 -5.121 495 2HG GLN 61 1HG GLN 61 -8.369 10.365 -6.438 496 1HE2 GLN 61 1HE2 GLN 61 -9.128 7.558 -4.357 497 2HE2 GLN 61 2HE2 GLN 61 -10.801 7.604 -4.634 498 H LEU 62 H LEU 62 -5.772 8.318 -4.010 499 HA LEU 62 HA LEU 62 -6.908 5.731 -3.008 500 1HB LEU 62 2HB LEU 62 -4.463 6.257 -2.724 501 2HB LEU 62 1HB LEU 62 -4.924 7.634 -1.723 502 HG LEU 62 HG LEU 62 -6.190 5.066 -0.970 503 1HD1 LEU 62 1HD1 LEU 62 -3.207 5.504 -0.889 504 2HD1 LEU 62 2HD1 LEU 62 -4.096 4.066 -1.393 505 3HD1 LEU 62 3HD1 LEU 62 -4.009 4.495 0.315 506 1HD2 LEU 62 1HD2 LEU 62 -6.600 6.697 0.607 507 2HD2 LEU 62 2HD2 LEU 62 -5.079 7.532 0.295 508 3HD2 LEU 62 3HD2 LEU 62 -5.095 6.063 1.271 509 H MET 63 H MET 63 -8.277 5.772 -1.158 510 HA MET 63 HA MET 63 -9.112 8.404 -0.054 511 1HB MET 63 2HB MET 63 -10.576 8.193 -1.923 512 2HB MET 63 1HB MET 63 -10.794 6.465 -1.656 513 1HG MET 63 2HG MET 63 -12.466 6.798 -0.166 514 2HG MET 63 1HG MET 63 -11.586 8.081 0.660 515 1HE MET 63 1HE MET 63 -15.285 8.573 -1.460 516 2HE MET 63 2HE MET 63 -14.833 8.341 0.228 517 3HE MET 63 3HE MET 63 -14.454 7.094 -0.958 518 H LYS 64 H LYS 64 -9.732 8.195 2.104 519 HA LYS 64 HA LYS 64 -9.422 5.559 3.378 520 1HB LYS 64 2HB LYS 64 -9.621 6.864 5.439 521 2HB LYS 64 1HB LYS 64 -8.546 7.706 4.325 522 1HG LYS 64 2HG LYS 64 -11.072 8.690 3.671 523 2HG LYS 64 1HG LYS 64 -11.112 8.565 5.430 524 1HD LYS 64 2HD LYS 64 -8.928 9.789 5.516 525 2HD LYS 64 1HD LYS 64 -9.030 10.018 3.771 526 1HE LYS 64 2HE LYS 64 -11.245 10.910 5.643 527 2HE LYS 64 1HE LYS 64 -9.898 11.971 5.186 528 1HZ LYS 64 1HZ LYS 64 -10.550 11.003 2.803 529 2HZ LYS 64 2HZ LYS 64 -11.255 12.412 3.440 530 3HZ LYS 64 3HZ LYS 64 -12.075 10.928 3.543 531 H THR 65 H THR 65 -11.120 4.416 4.426 532 HA THR 65 HA THR 65 -13.892 5.479 4.192 533 HB THR 65 HB THR 65 -13.454 4.374 2.073 534 HG1 THR 65 1HG THR 65 -15.097 2.920 2.139 535 1HG2 THR 65 1HG2 THR 65 -12.210 2.318 3.850 536 2HG2 THR 65 2HG2 THR 65 -11.645 2.960 2.308 537 3HG2 THR 65 3HG2 THR 65 -12.951 1.775 2.344 538 H GLU 66 H GLU 66 -15.446 3.692 5.134 539 HA GLU 66 HA GLU 66 -14.163 2.508 7.579 540 1HB GLU 66 2HB GLU 66 -16.916 3.700 7.110 541 2HB GLU 66 1HB GLU 66 -16.384 2.976 8.628 542 1HG GLU 66 2HG GLU 66 -14.345 4.680 8.256 543 2HG GLU 66 1HG GLU 66 -15.598 5.565 7.384 544 H ARG 67 H ARG 67 -14.991 1.399 4.738 545 HA ARG 67 HA ARG 67 -16.408 -1.004 5.826 546 1HB ARG 67 2HB ARG 67 -17.401 0.959 4.047 547 2HB ARG 67 1HB ARG 67 -17.056 -0.459 3.056 548 1HG ARG 67 2HG ARG 67 -19.191 -0.995 3.765 549 2HG ARG 67 1HG ARG 67 -18.256 -1.723 5.069 550 1HD ARG 67 2HD ARG 67 -18.661 0.137 6.531 551 2HD ARG 67 1HD ARG 67 -19.310 1.119 5.202 552 HE ARG 67 HE ARG 67 -20.787 -1.337 5.388 553 1HH1 ARG 67 1HH2 ARG 67 -20.299 1.699 7.009 554 2HH1 ARG 67 2HH2 ARG 67 -21.891 1.731 7.684 555 1HH2 ARG 67 1HH1 ARG 67 -22.859 -1.288 6.275 556 2HH2 ARG 67 2HH1 ARG 67 -23.337 0.045 7.272 557 HA PRO 68 HA PRO 68 -16.944 -2.913 5.180 558 1HB PRO 68 2HB PRO 68 -15.830 -5.254 6.049 559 2HB PRO 68 1HB PRO 68 -16.494 -5.036 4.418 560 1HG PRO 68 2HG PRO 68 -13.669 -4.994 5.331 561 2HG PRO 68 1HG PRO 68 -14.364 -5.652 3.845 562 1HD PRO 68 2HD PRO 68 -13.051 -3.259 3.976 563 2HD PRO 68 1HD PRO 68 -14.296 -3.640 2.768 564 H ARG 69 H ARG 69 -13.689 -2.398 6.416 565 HA ARG 69 HA ARG 69 -14.770 -2.362 9.220 566 1HB ARG 69 2HB ARG 69 -12.173 -3.151 7.946 567 2HB ARG 69 1HB ARG 69 -12.138 -2.530 9.596 568 1HG ARG 69 2HG ARG 69 -12.542 -4.715 10.139 569 2HG ARG 69 1HG ARG 69 -14.213 -4.272 9.791 570 1HD ARG 69 2HD ARG 69 -13.901 -5.027 7.433 571 2HD ARG 69 1HD ARG 69 -12.257 -5.542 7.845 572 HE ARG 69 HE ARG 69 -13.156 -7.299 9.183 573 1HH1 ARG 69 1HH2 ARG 69 -15.638 -5.128 8.065 574 2HH1 ARG 69 2HH2 ARG 69 -16.919 -6.238 8.393 575 1HH2 ARG 69 1HH1 ARG 69 -14.837 -8.732 9.606 576 2HH2 ARG 69 2HH1 ARG 69 -16.471 -8.268 9.272 577 HA PRO 70 HA PRO 70 -13.844 1.936 9.490 578 1HB PRO 70 2HB PRO 70 -12.864 2.170 12.037 579 2HB PRO 70 1HB PRO 70 -14.580 1.892 11.680 580 1HG PRO 70 2HG PRO 70 -12.485 -0.052 12.519 581 2HG PRO 70 1HG PRO 70 -14.179 0.066 13.021 582 1HD PRO 70 2HD PRO 70 -13.305 -1.748 11.204 583 2HD PRO 70 1HD PRO 70 -14.945 -1.062 11.174 584 H ASN 71 H ASN 71 -12.072 3.478 9.502 585 HA ASN 71 HA ASN 71 -9.873 4.166 8.999 586 1HB ASN 71 2HB ASN 71 -9.907 2.520 11.336 587 2HB ASN 71 1HB ASN 71 -8.443 2.126 10.433 588 1HD2 ASN 71 1HD2 ASN 71 -6.716 3.570 10.664 589 2HD2 ASN 71 2HD2 ASN 71 -6.846 5.135 11.307 590 H THR 72 H THR 72 -10.829 2.863 6.893 591 HA THR 72 HA THR 72 -8.804 0.776 6.151 592 HB THR 72 HB THR 72 -11.682 1.304 5.377 593 HG1 THR 72 1HG THR 72 -11.872 -0.111 6.896 594 1HG2 THR 72 1HG2 THR 72 -10.760 0.698 3.292 595 2HG2 THR 72 2HG2 THR 72 -11.323 -0.833 3.960 596 3HG2 THR 72 3HG2 THR 72 -9.610 -0.420 4.026 597 H PHE 73 H PHE 73 -7.904 0.910 4.004 598 HA PHE 73 HA PHE 73 -8.068 3.644 2.767 599 1HB PHE 73 2HB PHE 73 -5.908 1.888 3.664 600 2HB PHE 73 1HB PHE 73 -5.688 2.390 1.991 601 HD1 PHE 73 1HD PHE 73 -3.727 3.754 2.529 602 HD2 PHE 73 2HD PHE 73 -7.531 4.523 4.374 603 HE1 PHE 73 1HE PHE 73 -2.908 5.962 3.304 604 HE2 PHE 73 2HE PHE 73 -6.710 6.730 5.144 605 HZ PHE 73 HZ PHE 73 -4.399 7.449 4.610 606 H VAL 74 H VAL 74 -8.822 3.676 0.693 607 HA VAL 74 HA VAL 74 -8.761 1.127 -0.904 608 HB VAL 74 HB VAL 74 -10.811 3.375 -0.826 609 1HG1 VAL 74 1HG1 VAL 74 -10.648 2.389 -3.060 610 2HG1 VAL 74 2HG1 VAL 74 -12.140 1.858 -2.285 611 3HG1 VAL 74 3HG1 VAL 74 -10.756 0.768 -2.375 612 1HG2 VAL 74 1HG2 VAL 74 -11.264 0.495 -0.055 613 2HG2 VAL 74 2HG2 VAL 74 -12.213 1.914 0.382 614 3HG2 VAL 74 3HG2 VAL 74 -10.634 1.648 1.120 615 H ILE 75 H ILE 75 -7.568 1.324 -2.768 616 HA ILE 75 HA ILE 75 -7.201 4.072 -3.924 617 HB ILE 75 HB ILE 75 -5.240 2.988 -2.691 618 1HG1 ILE 75 2HG1 ILE 75 -4.611 3.426 -5.606 619 2HG1 ILE 75 1HG1 ILE 75 -5.171 4.758 -4.594 620 1HG2 ILE 75 1HG2 ILE 75 -4.030 1.214 -3.804 621 2HG2 ILE 75 2HG2 ILE 75 -5.146 1.245 -5.168 622 3HG2 ILE 75 3HG2 ILE 75 -5.698 0.680 -3.591 623 1HD1 ILE 75 1HD1 ILE 75 -2.595 4.298 -4.801 624 2HD1 ILE 75 2HD1 ILE 75 -2.919 3.013 -3.638 625 3HD1 ILE 75 3HD1 ILE 75 -3.280 4.688 -3.224 626 H ARG 76 H ARG 76 -7.469 4.233 -6.170 627 HA ARG 76 HA ARG 76 -7.606 1.801 -7.837 628 1HB ARG 76 2HB ARG 76 -9.825 2.320 -6.497 629 2HB ARG 76 1HB ARG 76 -10.054 3.539 -7.751 630 1HG ARG 76 2HG ARG 76 -10.030 1.899 -9.490 631 2HG ARG 76 1HG ARG 76 -9.420 0.653 -8.401 632 1HD ARG 76 2HD ARG 76 -11.762 1.450 -7.138 633 2HD ARG 76 1HD ARG 76 -12.194 1.520 -8.857 634 HE ARG 76 HE ARG 76 -10.679 -0.870 -8.317 635 1HH1 ARG 76 1HH2 ARG 76 -13.836 0.553 -7.947 636 2HH1 ARG 76 2HH2 ARG 76 -14.647 -0.975 -7.878 637 1HH2 ARG 76 1HH1 ARG 76 -11.740 -2.847 -8.211 638 2HH2 ARG 76 2HH1 ARG 76 -13.461 -2.896 -8.015 639 H CYS 77 H CYS 77 -7.188 2.288 -9.984 640 HA CYS 77 HA CYS 77 -6.614 5.123 -10.666 641 1HB CYS 77 2HB CYS 77 -5.657 2.475 -11.362 642 2HB CYS 77 1HB CYS 77 -6.084 3.363 -12.825 643 H LEU 78 H LEU 78 -8.635 6.074 -11.093 644 HA LEU 78 HA LEU 78 -10.514 6.645 -12.395 645 1HB LEU 78 2HB LEU 78 -8.660 5.734 -14.135 646 2HB LEU 78 1HB LEU 78 -9.902 4.507 -14.384 647 HG LEU 78 HG LEU 78 -10.518 7.470 -14.435 648 1HD1 LEU 78 1HD1 LEU 78 -10.493 7.211 -16.933 649 2HD1 LEU 78 2HD1 LEU 78 -9.759 5.622 -16.717 650 3HD1 LEU 78 3HD1 LEU 78 -8.896 7.069 -16.198 651 1HD2 LEU 78 1HD2 LEU 78 -12.430 6.509 -15.880 652 2HD2 LEU 78 2HD2 LEU 78 -12.500 6.188 -14.147 653 3HD2 LEU 78 3HD2 LEU 78 -11.946 4.933 -15.254 654 H GLN 79 H GLN 79 -12.197 5.921 -11.080 655 HA GLN 79 HA GLN 79 -12.844 3.143 -10.618 656 1HB GLN 79 2HB GLN 79 -14.361 5.753 -10.313 657 2HB GLN 79 1HB GLN 79 -14.971 4.207 -9.726 658 1HG GLN 79 2HG GLN 79 -13.210 3.980 -8.152 659 2HG GLN 79 1HG GLN 79 -12.240 5.228 -8.936 660 1HE2 GLN 79 1HE2 GLN 79 -14.504 4.681 -6.418 661 2HE2 GLN 79 2HE2 GLN 79 -14.873 6.305 -6.087 662 H TRP 80 H TRP 80 -14.678 1.961 -11.471 663 HA TRP 80 HA TRP 80 -15.976 3.070 -13.921 664 1HB TRP 80 2HB TRP 80 -13.921 0.989 -13.725 665 2HB TRP 80 1HB TRP 80 -15.367 0.426 -14.565 666 HD1 TRP 80 HD TRP 80 -12.382 2.671 -14.944 667 HE1 TRP 80 1HE TRP 80 -12.415 3.773 -17.275 668 HE3 TRP 80 3HE TRP 80 -17.077 1.364 -16.472 669 HZ2 TRP 80 2HZ TRP 80 -14.196 4.061 -19.494 670 HZ3 TRP 80 3HZ TRP 80 -17.915 2.065 -18.697 671 HH2 TRP 80 HH TRP 80 -16.482 3.411 -20.208 672 H THR 81 H THR 81 -15.759 0.021 -12.032 673 HA THR 81 HA THR 81 -18.759 0.014 -11.884 674 HB THR 81 HB THR 81 -17.743 -1.638 -13.475 675 HG1 THR 81 1HG THR 81 -19.098 -3.164 -12.832 676 1HG2 THR 81 1HG2 THR 81 -15.616 -2.011 -12.309 677 2HG2 THR 81 2HG2 THR 81 -16.470 -3.541 -12.513 678 3HG2 THR 81 3HG2 THR 81 -16.472 -2.733 -10.945 679 H THR 82 H THR 82 -19.295 -1.842 -10.058 680 HA THR 82 HA THR 82 -18.316 -0.732 -7.556 681 HB THR 82 HB THR 82 -19.715 -2.766 -6.695 682 HG1 THR 82 1HG THR 82 -20.953 -3.750 -8.231 683 1HG2 THR 82 1HG2 THR 82 -21.789 -1.572 -7.142 684 2HG2 THR 82 2HG2 THR 82 -21.039 -0.716 -8.491 685 3HG2 THR 82 3HG2 THR 82 -20.503 -0.404 -6.840 686 H VAL 83 H VAL 83 -18.479 -4.237 -7.799 687 HA VAL 83 HA VAL 83 -16.890 -5.848 -7.090 688 HB VAL 83 HB VAL 83 -15.273 -4.147 -9.023 689 1HG1 VAL 83 1HG1 VAL 83 -13.931 -5.847 -7.837 690 2HG1 VAL 83 2HG1 VAL 83 -14.132 -6.282 -9.533 691 3HG1 VAL 83 3HG1 VAL 83 -15.095 -7.090 -8.297 692 1HG2 VAL 83 1HG2 VAL 83 -17.212 -6.434 -9.511 693 2HG2 VAL 83 2HG2 VAL 83 -16.190 -5.698 -10.745 694 3HG2 VAL 83 3HG2 VAL 83 -17.458 -4.749 -9.970 695 H ILE 84 H ILE 84 -16.768 -4.892 -4.856 696 HA ILE 84 HA ILE 84 -14.915 -2.908 -4.046 697 HB ILE 84 HB ILE 84 -16.808 -3.994 -2.757 698 1HG1 ILE 84 2HG1 ILE 84 -15.032 -2.514 -1.734 699 2HG1 ILE 84 1HG1 ILE 84 -15.783 -3.641 -0.609 700 1HG2 ILE 84 1HG2 ILE 84 -14.805 -6.105 -1.969 701 2HG2 ILE 84 2HG2 ILE 84 -15.926 -6.358 -3.306 702 3HG2 ILE 84 3HG2 ILE 84 -16.545 -6.072 -1.680 703 1HD1 ILE 84 1HD1 ILE 84 -13.741 -5.189 -1.385 704 2HD1 ILE 84 2HD1 ILE 84 -13.570 -4.016 -0.080 705 3HD1 ILE 84 3HD1 ILE 84 -13.004 -3.618 -1.701 706 H GLU 85 H GLU 85 -12.770 -2.924 -4.467 707 HA GLU 85 HA GLU 85 -11.131 -5.271 -3.719 708 1HB GLU 85 2HB GLU 85 -11.905 -4.518 -6.449 709 2HB GLU 85 1HB GLU 85 -10.156 -4.621 -6.247 710 1HG GLU 85 2HG GLU 85 -11.781 -6.819 -5.055 711 2HG GLU 85 1HG GLU 85 -11.660 -6.777 -6.813 712 H ARG 86 H ARG 86 -8.704 -4.632 -4.314 713 HA ARG 86 HA ARG 86 -6.908 -3.179 -3.827 714 1HB ARG 86 2HB ARG 86 -8.528 -2.126 -5.801 715 2HB ARG 86 1HB ARG 86 -8.401 -0.785 -4.663 716 1HG ARG 86 2HG ARG 86 -6.270 -0.383 -5.277 717 2HG ARG 86 1HG ARG 86 -5.825 -2.063 -5.001 718 1HD ARG 86 2HD ARG 86 -7.287 -2.230 -7.343 719 2HD ARG 86 1HD ARG 86 -6.417 -0.696 -7.531 720 HE ARG 86 HE ARG 86 -4.376 -1.888 -7.532 721 1HH1 ARG 86 1HH2 ARG 86 -7.003 -3.890 -6.424 722 2HH1 ARG 86 2HH2 ARG 86 -6.048 -5.330 -6.395 723 1HH2 ARG 86 1HH1 ARG 86 -3.147 -3.769 -7.502 724 2HH2 ARG 86 2HH1 ARG 86 -3.865 -5.262 -6.998 725 H THR 87 H THR 87 -9.004 -3.587 -1.717 726 HA THR 87 HA THR 87 -8.730 -0.990 -0.234 727 HB THR 87 HB THR 87 -10.787 -3.223 -0.041 728 HG1 THR 87 1HG THR 87 -11.270 -2.079 -1.818 729 1HG2 THR 87 1HG2 THR 87 -10.665 -2.273 2.119 730 2HG2 THR 87 2HG2 THR 87 -11.984 -1.398 1.341 731 3HG2 THR 87 3HG2 THR 87 -10.392 -0.651 1.483 732 H PHE 88 H PHE 88 -7.534 -1.090 1.654 733 HA PHE 88 HA PHE 88 -7.111 -3.772 2.903 734 1HB PHE 88 2HB PHE 88 -4.793 -3.518 2.859 735 2HB PHE 88 1HB PHE 88 -5.246 -2.756 1.340 736 HD1 PHE 88 1HD PHE 88 -4.619 -1.953 4.950 737 HD2 PHE 88 2HD PHE 88 -4.556 -0.561 0.886 738 HE1 PHE 88 1HE PHE 88 -3.527 0.143 5.684 739 HE2 PHE 88 2HE PHE 88 -3.461 1.537 1.627 740 HZ PHE 88 HZ PHE 88 -2.944 1.883 4.030 741 H HIS 89 H HIS 89 -6.739 -3.693 5.193 742 HA HIS 89 HA HIS 89 -7.713 -1.164 6.479 743 1HB HIS 89 2HB HIS 89 -7.614 -4.018 7.520 744 2HB HIS 89 1HB HIS 89 -8.440 -2.661 8.279 745 HD1 HIS 89 1HD HIS 89 -10.269 -4.888 7.714 746 HD2 HIS 89 2HD HIS 89 -9.356 -2.106 4.748 747 HE1 HIS 89 1HE HIS 89 -12.122 -5.029 6.000 748 H VAL 90 H VAL 90 -6.602 -0.438 8.423 749 HA VAL 90 HA VAL 90 -3.731 -1.272 8.508 750 HB VAL 90 HB VAL 90 -3.516 0.850 9.855 751 1HG1 VAL 90 1HG1 VAL 90 -3.012 1.147 7.590 752 2HG1 VAL 90 2HG1 VAL 90 -4.270 2.353 7.860 753 3HG1 VAL 90 3HG1 VAL 90 -4.667 0.824 7.078 754 1HG2 VAL 90 1HG2 VAL 90 -6.206 1.746 8.993 755 2HG2 VAL 90 2HG2 VAL 90 -5.316 2.114 10.468 756 3HG2 VAL 90 3HG2 VAL 90 -6.185 0.587 10.322 757 H ASP 91 H ASP 91 -2.731 -1.649 10.636 758 HA ASP 91 HA ASP 91 -4.412 -3.259 12.403 759 1HB ASP 91 2HB ASP 91 -1.736 -3.113 11.692 760 2HB ASP 91 1HB ASP 91 -1.732 -2.483 13.338 761 H SER 92 H SER 92 -3.216 0.049 12.386 762 HA SER 92 HA SER 92 -4.633 0.533 14.977 763 1HB SER 92 2HB SER 92 -1.778 0.940 14.213 764 2HB SER 92 1HB SER 92 -2.522 2.200 15.194 765 HG SER 92 HG SER 92 -2.248 0.892 16.805 766 HA PRO 93 HA PRO 93 -6.280 4.039 12.895 767 1HB PRO 93 2HB PRO 93 -6.386 5.906 14.904 768 2HB PRO 93 1HB PRO 93 -7.508 4.534 14.794 769 1HG PRO 93 2HG PRO 93 -5.056 4.842 16.466 770 2HG PRO 93 1HG PRO 93 -6.631 4.150 16.893 771 1HD PRO 93 2HD PRO 93 -4.494 2.611 16.292 772 2HD PRO 93 1HD PRO 93 -6.159 2.121 15.902 773 H ASP 94 H ASP 94 -3.347 4.507 14.805 774 HA ASP 94 HA ASP 94 -2.552 7.033 13.629 775 1HB ASP 94 2HB ASP 94 -0.795 4.873 14.838 776 2HB ASP 94 1HB ASP 94 -0.497 6.610 14.818 777 H GLU 95 H GLU 95 -2.001 3.617 12.810 778 HA GLU 95 HA GLU 95 0.068 3.922 10.872 779 1HB GLU 95 2HB GLU 95 -1.195 1.867 12.016 780 2HB GLU 95 1HB GLU 95 -2.131 1.922 10.523 781 1HG GLU 95 2HG GLU 95 -0.424 0.555 9.804 782 2HG GLU 95 1HG GLU 95 0.321 2.115 9.460 783 H ARG 96 H ARG 96 -3.497 3.902 10.402 784 HA ARG 96 HA ARG 96 -3.524 4.268 7.581 785 1HB ARG 96 2HB ARG 96 -5.465 3.705 8.997 786 2HB ARG 96 1HB ARG 96 -5.395 5.300 9.741 787 1HG ARG 96 2HG ARG 96 -5.443 5.694 6.924 788 2HG ARG 96 1HG ARG 96 -6.703 4.520 7.306 789 1HD ARG 96 2HD ARG 96 -7.930 6.420 7.760 790 2HD ARG 96 1HD ARG 96 -7.088 6.328 9.320 791 HE ARG 96 HE ARG 96 -5.549 7.695 7.238 792 1HH1 ARG 96 1HH2 ARG 96 -7.901 8.018 9.784 793 2HH1 ARG 96 2HH2 ARG 96 -7.578 9.700 10.025 794 1HH2 ARG 96 1HH1 ARG 96 -5.142 9.885 7.565 795 2HH2 ARG 96 2HH1 ARG 96 -6.015 10.750 8.784 796 H GLU 97 H GLU 97 -3.393 6.697 10.193 797 HA GLU 97 HA GLU 97 -3.479 9.008 8.454 798 1HB GLU 97 2HB GLU 97 -2.248 8.781 11.215 799 2HB GLU 97 1HB GLU 97 -2.993 10.201 10.486 800 1HG GLU 97 2HG GLU 97 -5.033 8.363 10.338 801 2HG GLU 97 1HG GLU 97 -4.248 7.911 11.847 802 H GLU 98 H GLU 98 -0.855 6.983 9.721 803 HA GLU 98 HA GLU 98 1.326 8.731 8.995 804 1HB GLU 98 2HB GLU 98 1.363 6.815 10.624 805 2HB GLU 98 1HB GLU 98 1.234 5.704 9.260 806 1HG GLU 98 2HG GLU 98 3.590 5.992 9.988 807 2HG GLU 98 1HG GLU 98 3.343 6.559 8.337 808 H TRP 99 H TRP 99 -0.375 6.094 7.295 809 HA TRP 99 HA TRP 99 1.365 6.001 4.996 810 1HB TRP 99 2HB TRP 99 -1.585 5.333 5.290 811 2HB TRP 99 1HB TRP 99 -0.517 4.744 4.015 812 HD1 TRP 99 HD TRP 99 -2.059 3.202 6.627 813 HE1 TRP 99 1HE TRP 99 -0.623 1.492 7.891 814 HE3 TRP 99 3HE TRP 99 2.598 4.712 5.169 815 HZ2 TRP 99 2HZ TRP 99 2.136 0.860 8.272 816 HZ3 TRP 99 3HZ TRP 99 4.613 3.541 6.011 817 HH2 TRP 99 HH TRP 99 4.387 1.620 7.559 818 H MET 100 H MET 100 -1.667 7.773 5.666 819 HA MET 100 HA MET 100 -2.037 8.984 3.122 820 1HB MET 100 2HB MET 100 -3.347 8.955 5.476 821 2HB MET 100 1HB MET 100 -2.580 10.536 5.619 822 1HG MET 100 2HG MET 100 -3.729 10.106 2.965 823 2HG MET 100 1HG MET 100 -4.938 9.989 4.244 824 1HE MET 100 1HE MET 100 -6.337 11.897 4.340 825 2HE MET 100 2HE MET 100 -5.844 12.108 2.662 826 3HE MET 100 3HE MET 100 -5.916 13.505 3.733 827 H ARG 101 H ARG 101 -0.143 10.106 5.950 828 HA ARG 101 HA ARG 101 0.774 12.570 4.785 829 1HB ARG 101 2HB ARG 101 0.816 11.461 7.229 830 2HB ARG 101 1HB ARG 101 2.445 11.015 6.722 831 1HG ARG 101 2HG ARG 101 2.926 13.094 7.574 832 2HG ARG 101 1HG ARG 101 2.464 13.590 5.945 833 1HD ARG 101 2HD ARG 101 1.020 14.981 7.082 834 2HD ARG 101 1HD ARG 101 0.013 13.524 7.158 835 HE ARG 101 HE ARG 101 0.580 13.291 9.446 836 1HH1 ARG 101 1HH2 ARG 101 2.702 15.543 7.852 837 2HH1 ARG 101 2HH2 ARG 101 3.435 16.074 9.324 838 1HH2 ARG 101 1HH1 ARG 101 1.546 13.990 11.356 839 2HH2 ARG 101 2HH1 ARG 101 2.783 15.200 11.303 840 H ALA 102 H ALA 102 2.157 9.277 4.861 841 HA ALA 102 HA ALA 102 4.652 9.877 3.582 842 1HB ALA 102 1HB ALA 102 3.083 7.303 3.339 843 2HB ALA 102 2HB ALA 102 3.833 7.791 4.859 844 3HB ALA 102 3HB ALA 102 4.832 7.507 3.434 845 H ILE 103 H ILE 103 1.487 8.861 2.247 846 HA ILE 103 HA ILE 103 2.308 8.641 -0.495 847 HB ILE 103 HB ILE 103 -0.347 9.293 0.836 848 1HG1 ILE 103 2HG1 ILE 103 0.439 6.682 -0.445 849 2HG1 ILE 103 1HG1 ILE 103 0.957 7.043 1.201 850 1HG2 ILE 103 1HG2 ILE 103 -1.213 8.303 -1.414 851 2HG2 ILE 103 2HG2 ILE 103 0.379 8.734 -2.039 852 3HG2 ILE 103 3HG2 ILE 103 -0.683 9.986 -1.391 853 1HD1 ILE 103 1HD1 ILE 103 -1.522 7.624 1.648 854 2HD1 ILE 103 2HD1 ILE 103 -1.103 5.919 1.488 855 3HD1 ILE 103 3HD1 ILE 103 -1.854 6.773 0.140 856 H GLN 104 H GLN 104 0.938 11.371 1.366 857 HA GLN 104 HA GLN 104 0.762 13.273 -0.760 858 1HB GLN 104 2HB GLN 104 -0.203 13.361 1.584 859 2HB GLN 104 1HB GLN 104 1.413 13.761 2.164 860 1HG GLN 104 2HG GLN 104 0.417 15.873 1.884 861 2HG GLN 104 1HG GLN 104 1.332 15.667 0.392 862 1HE2 GLN 104 1HE2 GLN 104 0.155 15.848 -1.540 863 2HE2 GLN 104 2HE2 GLN 104 -1.539 15.816 -1.639 864 H MET 105 H MET 105 3.454 12.402 1.404 865 HA MET 105 HA MET 105 5.259 14.493 0.564 866 1HB MET 105 2HB MET 105 5.318 11.938 2.092 867 2HB MET 105 1HB MET 105 6.864 12.501 1.462 868 1HG MET 105 2HG MET 105 5.284 14.651 2.676 869 2HG MET 105 1HG MET 105 5.682 13.365 3.815 870 1HE MET 105 1HE MET 105 8.546 16.041 1.433 871 2HE MET 105 2HE MET 105 6.791 16.160 1.543 872 3HE MET 105 3HE MET 105 7.522 14.839 0.634 873 H VAL 106 H VAL 106 4.858 11.080 -0.461 874 HA VAL 106 HA VAL 106 6.986 11.151 -2.428 875 HB VAL 106 HB VAL 106 4.518 9.395 -2.134 876 1HG1 VAL 106 1HG1 VAL 106 6.454 7.861 -3.320 877 2HG1 VAL 106 2HG1 VAL 106 6.759 9.431 -4.062 878 3HG1 VAL 106 3HG1 VAL 106 5.167 8.686 -4.200 879 1HG2 VAL 106 1HG2 VAL 106 5.638 8.261 -0.521 880 2HG2 VAL 106 2HG2 VAL 106 6.705 9.662 -0.434 881 3HG2 VAL 106 3HG2 VAL 106 7.142 8.283 -1.442 882 H ALA 107 H ALA 107 3.458 11.671 -2.566 883 HA ALA 107 HA ALA 107 3.123 11.925 -5.375 884 1HB ALA 107 1HB ALA 107 1.740 13.434 -3.134 885 2HB ALA 107 2HB ALA 107 1.352 11.782 -3.615 886 3HB ALA 107 3HB ALA 107 1.080 13.114 -4.739 887 H ASN 108 H ASN 108 4.313 14.263 -2.975 888 HA ASN 108 HA ASN 108 4.169 16.664 -4.487 889 1HB ASN 108 2HB ASN 108 5.530 15.585 -2.144 890 2HB ASN 108 1HB ASN 108 6.560 16.723 -3.011 891 1HD2 ASN 108 1HD2 ASN 108 3.131 16.473 -1.882 892 2HD2 ASN 108 2HD2 ASN 108 3.003 18.114 -1.469 893 H SER 109 H SER 109 6.742 14.179 -4.380 894 HA SER 109 HA SER 109 8.283 15.534 -6.502 895 1HB SER 109 2HB SER 109 8.572 13.024 -4.844 896 2HB SER 109 1HB SER 109 9.690 13.400 -6.152 897 HG SER 109 HG SER 109 10.396 15.136 -5.065 898 H LEU 110 H LEU 110 5.967 12.902 -6.187 899 HA LEU 110 HA LEU 110 6.514 11.542 -8.669 900 1HB LEU 110 2HB LEU 110 4.732 11.406 -6.445 901 2HB LEU 110 1HB LEU 110 3.739 11.437 -7.900 902 HG LEU 110 HG LEU 110 5.150 9.592 -8.842 903 1HD1 LEU 110 1HD1 LEU 110 6.565 8.334 -7.188 904 2HD1 LEU 110 2HD1 LEU 110 6.339 9.662 -6.050 905 3HD1 LEU 110 3HD1 LEU 110 7.195 9.937 -7.568 906 1HD2 LEU 110 1HD2 LEU 110 2.993 9.333 -7.394 907 2HD2 LEU 110 2HD2 LEU 110 4.093 8.738 -6.151 908 3HD2 LEU 110 3HD2 LEU 110 3.978 7.903 -7.699 909 H LYS 111 H LYS 111 4.178 14.111 -7.794 910 HA LYS 111 HA LYS 111 2.964 15.626 -9.130 911 1HB LYS 111 2HB LYS 111 5.221 15.054 -11.079 912 2HB LYS 111 1HB LYS 111 4.255 16.525 -10.982 913 1HG LYS 111 2HG LYS 111 5.114 16.869 -8.650 914 2HG LYS 111 1HG LYS 111 6.180 15.484 -8.885 915 1HD LYS 111 2HD LYS 111 6.913 16.791 -11.053 916 2HD LYS 111 1HD LYS 111 6.278 18.187 -10.182 917 1HE LYS 111 2HE LYS 111 7.763 17.731 -8.286 918 2HE LYS 111 1HE LYS 111 8.360 16.263 -9.085 919 1HZ LYS 111 1HZ LYS 111 9.832 18.132 -9.537 920 2HZ LYS 111 2HZ LYS 111 8.538 19.030 -10.175 921 3HZ LYS 111 3HZ LYS 111 9.072 17.623 -10.965 Start of MODEL 20 1 1H MET 1 1H MET 1 15.950 -5.245 -12.299 2 2H MET 1 2H MET 1 17.114 -6.246 -11.573 3 3H MET 1 3H MET 1 17.333 -5.703 -13.167 4 HA MET 1 HA MET 1 18.666 -4.523 -11.348 5 1HB MET 1 2HB MET 1 18.422 -2.442 -12.631 6 2HB MET 1 1HB MET 1 18.339 -3.825 -13.720 7 1HG MET 1 2HG MET 1 15.851 -3.702 -13.642 8 2HG MET 1 1HG MET 1 15.976 -2.265 -12.628 9 1HE MET 1 1HE MET 1 16.769 0.574 -14.730 10 2HE MET 1 2HE MET 1 17.939 -0.201 -13.664 11 3HE MET 1 3HE MET 1 16.238 -0.153 -13.207 12 H ASN 2 H ASN 2 18.518 -2.773 -9.786 13 HA ASN 2 HA ASN 2 15.861 -1.815 -8.930 14 1HB ASN 2 2HB ASN 2 16.077 -4.083 -7.944 15 2HB ASN 2 1HB ASN 2 17.593 -3.599 -7.183 16 1HD2 ASN 2 1HD2 ASN 2 17.472 -2.362 -5.235 17 2HD2 ASN 2 2HD2 ASN 2 16.005 -1.912 -4.513 18 H GLU 3 H GLU 3 16.099 0.216 -8.049 19 HA GLU 3 HA GLU 3 18.594 0.975 -6.645 20 1HB GLU 3 2HB GLU 3 18.920 2.898 -8.226 21 2HB GLU 3 1HB GLU 3 19.122 1.329 -9.005 22 1HG GLU 3 2HG GLU 3 17.096 1.488 -10.157 23 2HG GLU 3 1HG GLU 3 16.415 2.637 -9.005 24 H VAL 4 H VAL 4 15.948 0.745 -5.629 25 HA VAL 4 HA VAL 4 15.224 3.626 -5.167 26 HB VAL 4 HB VAL 4 13.490 1.146 -5.424 27 1HG1 VAL 4 1HG1 VAL 4 12.668 2.737 -3.679 28 2HG1 VAL 4 2HG1 VAL 4 11.579 2.616 -5.060 29 3HG1 VAL 4 3HG1 VAL 4 12.645 4.012 -4.899 30 1HG2 VAL 4 1HG2 VAL 4 12.499 2.685 -7.283 31 2HG2 VAL 4 2HG2 VAL 4 14.022 1.857 -7.606 32 3HG2 VAL 4 3HG2 VAL 4 14.024 3.560 -7.150 33 H SER 5 H SER 5 15.159 4.216 -3.014 34 HA SER 5 HA SER 5 15.848 2.201 -0.967 35 1HB SER 5 2HB SER 5 15.993 4.268 0.450 36 2HB SER 5 1HB SER 5 16.967 4.372 -1.013 37 HG SER 5 HG SER 5 15.857 6.119 -1.374 38 H VAL 6 H VAL 6 14.572 2.718 1.262 39 HA VAL 6 HA VAL 6 11.663 2.429 0.608 40 HB VAL 6 HB VAL 6 13.308 1.576 3.014 41 1HG1 VAL 6 1HG1 VAL 6 10.996 1.985 3.656 42 2HG1 VAL 6 2HG1 VAL 6 11.250 0.243 3.555 43 3HG1 VAL 6 3HG1 VAL 6 10.411 1.088 2.254 44 1HG2 VAL 6 1HG2 VAL 6 13.962 0.044 1.415 45 2HG2 VAL 6 2HG2 VAL 6 12.501 0.272 0.452 46 3HG2 VAL 6 3HG2 VAL 6 12.450 -0.717 1.912 47 H ILE 7 H ILE 7 10.196 3.845 1.516 48 HA ILE 7 HA ILE 7 11.300 6.122 3.100 49 HB ILE 7 HB ILE 7 9.141 5.673 1.091 50 1HG1 ILE 7 2HG1 ILE 7 9.908 7.969 0.413 51 2HG1 ILE 7 1HG1 ILE 7 11.050 7.936 1.756 52 1HG2 ILE 7 1HG2 ILE 7 8.943 7.773 3.272 53 2HG2 ILE 7 2HG2 ILE 7 7.798 6.466 2.970 54 3HG2 ILE 7 3HG2 ILE 7 7.979 7.769 1.795 55 1HD1 ILE 7 1HD1 ILE 7 12.345 6.248 0.784 56 2HD1 ILE 7 2HD1 ILE 7 11.851 7.186 -0.625 57 3HD1 ILE 7 3HD1 ILE 7 11.020 5.680 -0.231 58 H LYS 8 H LYS 8 8.789 3.579 3.192 59 HA LYS 8 HA LYS 8 8.507 4.072 6.109 60 1HB LYS 8 2HB LYS 8 6.917 5.512 4.623 61 2HB LYS 8 1HB LYS 8 6.049 3.998 4.365 62 1HG LYS 8 2HG LYS 8 4.974 4.932 6.245 63 2HG LYS 8 1HG LYS 8 6.100 3.771 6.950 64 1HD LYS 8 2HD LYS 8 7.746 5.614 7.277 65 2HD LYS 8 1HD LYS 8 6.553 6.756 6.659 66 1HE LYS 8 2HE LYS 8 5.711 6.931 8.755 67 2HE LYS 8 1HE LYS 8 5.244 5.221 8.670 68 1HZ LYS 8 1HZ LYS 8 6.854 5.821 10.498 69 2HZ LYS 8 2HZ LYS 8 8.012 6.095 9.287 70 3HZ LYS 8 3HZ LYS 8 7.335 4.550 9.485 71 H GLU 9 H GLU 9 8.011 2.203 7.219 72 HA GLU 9 HA GLU 9 7.162 -0.209 5.643 73 1HB GLU 9 2HB GLU 9 9.306 0.148 7.757 74 2HB GLU 9 1HB GLU 9 8.699 -1.438 7.281 75 1HG GLU 9 2HG GLU 9 10.128 -1.427 5.544 76 2HG GLU 9 1HG GLU 9 9.270 -0.037 4.880 77 H GLY 10 H GLY 10 5.417 -1.274 6.575 78 1HA GLY 10 2HA GLY 10 4.947 -1.208 9.455 79 2HA GLY 10 1HA GLY 10 3.793 -0.225 8.558 80 H TRP 11 H TRP 11 2.844 -2.392 9.985 81 HA TRP 11 HA TRP 11 2.428 -4.563 7.965 82 1HB TRP 11 2HB TRP 11 2.210 -4.311 10.964 83 2HB TRP 11 1HB TRP 11 1.411 -5.639 10.122 84 HD1 TRP 11 HD TRP 11 4.913 -4.138 10.664 85 HE1 TRP 11 1HE TRP 11 6.662 -5.996 10.292 86 HE3 TRP 11 3HE TRP 11 1.867 -7.921 9.075 87 HZ2 TRP 11 2HZ TRP 11 6.759 -8.720 9.439 88 HZ3 TRP 11 3HZ TRP 11 2.815 -10.135 8.491 89 HH2 TRP 11 HH TRP 11 5.256 -10.538 8.671 90 H LEU 12 H LEU 12 0.464 -4.692 6.952 91 HA LEU 12 HA LEU 12 -1.841 -3.153 8.118 92 1HB LEU 12 2HB LEU 12 -0.923 -3.543 5.253 93 2HB LEU 12 1HB LEU 12 -2.463 -2.808 5.688 94 HG LEU 12 HG LEU 12 0.184 -1.786 6.741 95 1HD1 LEU 12 1HD1 LEU 12 0.530 -1.239 4.538 96 2HD1 LEU 12 2HD1 LEU 12 -0.549 0.091 4.950 97 3HD1 LEU 12 3HD1 LEU 12 -1.184 -1.338 4.135 98 1HD2 LEU 12 1HD2 LEU 12 -1.726 0.251 6.552 99 2HD2 LEU 12 2HD2 LEU 12 -1.228 -0.578 8.026 100 3HD2 LEU 12 3HD2 LEU 12 -2.634 -1.148 7.126 101 H HIS 13 H HIS 13 -3.990 -4.059 7.476 102 HA HIS 13 HA HIS 13 -3.877 -7.040 7.384 103 1HB HIS 13 2HB HIS 13 -5.574 -4.943 8.578 104 2HB HIS 13 1HB HIS 13 -6.469 -6.318 7.928 105 HD1 HIS 13 1HD HIS 13 -6.680 -8.233 9.505 106 HD2 HIS 13 2HD HIS 13 -3.272 -5.965 10.302 107 HE1 HIS 13 1HE HIS 13 -5.563 -9.296 11.515 108 H LYS 14 H LYS 14 -4.608 -8.153 5.638 109 HA LYS 14 HA LYS 14 -6.203 -6.691 3.556 110 1HB LYS 14 2HB LYS 14 -3.638 -7.467 3.282 111 2HB LYS 14 1HB LYS 14 -4.424 -8.986 2.848 112 1HG LYS 14 2HG LYS 14 -5.293 -6.372 1.616 113 2HG LYS 14 1HG LYS 14 -3.955 -7.303 0.942 114 1HD LYS 14 2HD LYS 14 -5.634 -9.313 1.060 115 2HD LYS 14 1HD LYS 14 -6.864 -8.051 1.138 116 1HE LYS 14 2HE LYS 14 -4.727 -7.999 -1.001 117 2HE LYS 14 1HE LYS 14 -6.225 -8.921 -1.219 118 1HZ LYS 14 1HZ LYS 14 -5.903 -6.012 -0.774 119 2HZ LYS 14 2HZ LYS 14 -7.370 -6.792 -0.417 120 3HZ LYS 14 3HZ LYS 14 -6.764 -6.801 -2.005 121 H ARG 15 H ARG 15 -8.066 -7.747 2.910 122 HA ARG 15 HA ARG 15 -9.107 -9.984 4.389 123 1HB ARG 15 2HB ARG 15 -10.383 -8.153 3.211 124 2HB ARG 15 1HB ARG 15 -9.943 -8.903 1.676 125 1HG ARG 15 2HG ARG 15 -10.949 -11.071 2.872 126 2HG ARG 15 1HG ARG 15 -11.848 -9.851 3.774 127 1HD ARG 15 2HD ARG 15 -12.677 -8.872 1.667 128 2HD ARG 15 1HD ARG 15 -11.748 -10.066 0.742 129 HE ARG 15 HE ARG 15 -13.288 -11.749 1.409 130 1HH1 ARG 15 1HH2 ARG 15 -13.746 -8.811 3.219 131 2HH1 ARG 15 2HH2 ARG 15 -15.265 -9.312 3.875 132 1HH2 ARG 15 1HH1 ARG 15 -15.264 -12.396 2.282 133 2HH2 ARG 15 2HH1 ARG 15 -16.120 -11.336 3.350 134 H GLY 16 H GLY 16 -9.349 -12.180 3.737 135 1HA GLY 16 2HA GLY 16 -7.251 -13.256 2.060 136 2HA GLY 16 1HA GLY 16 -8.565 -14.182 2.785 137 H GLU 17 H GLU 17 -8.635 -15.317 0.681 138 HA GLU 17 HA GLU 17 -9.468 -13.863 -1.723 139 1HB GLU 17 2HB GLU 17 -8.800 -16.625 -0.856 140 2HB GLU 17 1HB GLU 17 -9.926 -16.511 -2.207 141 1HG GLU 17 2HG GLU 17 -7.753 -16.565 -3.183 142 2HG GLU 17 1HG GLU 17 -8.276 -14.885 -3.274 143 H TYR 18 H TYR 18 -11.037 -16.316 0.354 144 HA TYR 18 HA TYR 18 -13.702 -15.180 -0.441 145 1HB TYR 18 2HB TYR 18 -14.411 -17.666 -0.081 146 2HB TYR 18 1HB TYR 18 -13.535 -17.255 -1.553 147 HD1 TYR 18 1HD TYR 18 -11.283 -18.043 -1.942 148 HD2 TYR 18 2HD TYR 18 -13.241 -18.788 1.808 149 HE1 TYR 18 1HE TYR 18 -9.495 -19.646 -1.326 150 HE2 TYR 18 2HE TYR 18 -11.455 -20.393 2.422 151 HH TYR 18 HH TYR 18 -8.675 -20.523 1.388 152 H ILE 19 H ILE 19 -11.689 -16.449 2.172 153 HA ILE 19 HA ILE 19 -13.699 -16.825 4.163 154 HB ILE 19 HB ILE 19 -11.216 -17.489 4.113 155 1HG1 ILE 19 2HG1 ILE 19 -11.676 -16.206 6.745 156 2HG1 ILE 19 1HG1 ILE 19 -12.981 -17.243 6.172 157 1HG2 ILE 19 1HG2 ILE 19 -10.675 -14.901 5.518 158 2HG2 ILE 19 2HG2 ILE 19 -10.662 -14.910 3.755 159 3HG2 ILE 19 3HG2 ILE 19 -9.562 -15.959 4.650 160 1HD1 ILE 19 1HD1 ILE 19 -11.302 -18.503 7.508 161 2HD1 ILE 19 2HD1 ILE 19 -10.065 -18.063 6.329 162 3HD1 ILE 19 3HD1 ILE 19 -11.414 -19.094 5.851 163 H LYS 20 H LYS 20 -14.510 -15.394 5.764 164 HA LYS 20 HA LYS 20 -14.534 -12.536 4.996 165 1HB LYS 20 2HB LYS 20 -16.403 -14.308 5.903 166 2HB LYS 20 1HB LYS 20 -15.951 -13.521 7.414 167 1HG LYS 20 2HG LYS 20 -16.231 -11.304 6.074 168 2HG LYS 20 1HG LYS 20 -17.142 -12.296 4.934 169 1HD LYS 20 2HD LYS 20 -18.426 -13.129 7.046 170 2HD LYS 20 1HD LYS 20 -17.769 -11.686 7.818 171 1HE LYS 20 2HE LYS 20 -19.186 -11.496 5.151 172 2HE LYS 20 1HE LYS 20 -20.091 -11.464 6.677 173 1HZ LYS 20 1HZ LYS 20 -17.822 -9.682 5.944 174 2HZ LYS 20 2HZ LYS 20 -18.600 -9.697 7.457 175 3HZ LYS 20 3HZ LYS 20 -19.453 -9.226 6.065 176 H THR 21 H THR 21 -11.986 -13.021 5.795 177 HA THR 21 HA THR 21 -11.838 -11.679 8.457 178 HB THR 21 HB THR 21 -10.233 -14.132 7.672 179 HG1 THR 21 1HG THR 21 -12.570 -13.844 9.247 180 1HG2 THR 21 1HG2 THR 21 -9.122 -12.708 9.306 181 2HG2 THR 21 2HG2 THR 21 -9.711 -14.165 10.104 182 3HG2 THR 21 3HG2 THR 21 -10.588 -12.645 10.286 183 H TRP 22 H TRP 22 -9.939 -10.414 8.709 184 HA TRP 22 HA TRP 22 -8.407 -9.911 6.190 185 1HB TRP 22 2HB TRP 22 -8.915 -8.287 8.711 186 2HB TRP 22 1HB TRP 22 -7.889 -7.743 7.385 187 HD1 TRP 22 HD TRP 22 -11.539 -8.770 8.071 188 HE1 TRP 22 1HE TRP 22 -13.057 -7.584 6.359 189 HE3 TRP 22 3HE TRP 22 -7.997 -6.500 5.173 190 HZ2 TRP 22 2HZ TRP 22 -12.805 -5.896 4.066 191 HZ3 TRP 22 3HZ TRP 22 -8.665 -5.109 3.232 192 HH2 TRP 22 HH TRP 22 -11.061 -4.806 2.675 193 H ARG 23 H ARG 23 -6.308 -10.634 6.147 194 HA ARG 23 HA ARG 23 -5.035 -11.477 8.713 195 1HB ARG 23 2HB ARG 23 -5.130 -12.405 5.959 196 2HB ARG 23 1HB ARG 23 -3.465 -12.257 6.519 197 1HG ARG 23 2HG ARG 23 -5.342 -13.485 8.451 198 2HG ARG 23 1HG ARG 23 -5.042 -14.431 6.993 199 1HD ARG 23 2HD ARG 23 -2.950 -14.982 7.688 200 2HD ARG 23 1HD ARG 23 -2.572 -13.295 8.082 201 HE ARG 23 HE ARG 23 -3.334 -13.667 10.302 202 1HH1 ARG 23 1HH2 ARG 23 -4.153 -16.321 8.203 203 2HH1 ARG 23 2HH2 ARG 23 -4.669 -17.340 9.500 204 1HH2 ARG 23 1HH1 ARG 23 -4.015 -15.004 11.981 205 2HH2 ARG 23 2HH1 ARG 23 -4.593 -16.599 11.632 206 HA PRO 24 HA PRO 24 -2.283 -8.042 8.551 207 1HB PRO 24 2HB PRO 24 -0.247 -9.041 10.083 208 2HB PRO 24 1HB PRO 24 -1.798 -8.504 10.758 209 1HG PRO 24 2HG PRO 24 -0.839 -11.259 10.180 210 2HG PRO 24 1HG PRO 24 -1.806 -10.660 11.537 211 1HD PRO 24 2HD PRO 24 -2.854 -12.000 9.403 212 2HD PRO 24 1HD PRO 24 -3.769 -10.832 10.380 213 H ARG 25 H ARG 25 -0.538 -7.351 7.317 214 HA ARG 25 HA ARG 25 1.283 -9.364 6.062 215 1HB ARG 25 2HB ARG 25 -0.766 -7.587 4.800 216 2HB ARG 25 1HB ARG 25 0.761 -7.800 3.942 217 1HG ARG 25 2HG ARG 25 0.445 -10.102 3.680 218 2HG ARG 25 1HG ARG 25 -0.704 -10.198 5.014 219 1HD ARG 25 2HD ARG 25 -1.663 -8.375 2.966 220 2HD ARG 25 1HD ARG 25 -1.348 -9.980 2.290 221 HE ARG 25 HE ARG 25 -3.231 -9.378 4.507 222 1HH1 ARG 25 1HH2 ARG 25 -1.574 -11.768 2.621 223 2HH1 ARG 25 2HH2 ARG 25 -2.839 -12.934 2.757 224 1HH2 ARG 25 1HH1 ARG 25 -4.875 -10.893 4.674 225 2HH2 ARG 25 2HH1 ARG 25 -4.698 -12.447 3.926 226 H TYR 26 H TYR 26 3.355 -8.462 5.575 227 HA TYR 26 HA TYR 26 3.950 -5.895 6.892 228 1HB TYR 26 2HB TYR 26 5.368 -7.990 6.993 229 2HB TYR 26 1HB TYR 26 5.750 -7.744 5.291 230 HD1 TYR 26 1HD TYR 26 8.166 -7.545 5.892 231 HD2 TYR 26 2HD TYR 26 5.227 -4.794 7.396 232 HE1 TYR 26 1HE TYR 26 9.965 -5.957 6.516 233 HE2 TYR 26 2HE TYR 26 7.025 -3.209 8.013 234 HH TYR 26 HH TYR 26 9.754 -3.667 8.597 235 H PHE 27 H PHE 27 3.662 -4.013 5.780 236 HA PHE 27 HA PHE 27 3.825 -4.020 2.800 237 1HB PHE 27 2HB PHE 27 2.548 -2.337 4.938 238 2HB PHE 27 1HB PHE 27 2.853 -1.622 3.357 239 HD1 PHE 27 1HD PHE 27 1.409 -4.743 4.871 240 HD2 PHE 27 2HD PHE 27 1.238 -1.861 1.694 241 HE1 PHE 27 1HE PHE 27 -0.623 -5.846 3.979 242 HE2 PHE 27 2HE PHE 27 -0.792 -2.965 0.798 243 HZ PHE 27 HZ PHE 27 -1.724 -4.959 1.941 244 H LEU 28 H LEU 28 5.185 -2.513 1.714 245 HA LEU 28 HA LEU 28 7.130 -0.984 3.397 246 1HB LEU 28 2HB LEU 28 7.557 -3.373 1.801 247 2HB LEU 28 1HB LEU 28 8.546 -2.042 1.203 248 HG LEU 28 HG LEU 28 8.662 -1.964 4.047 249 1HD1 LEU 28 1HD1 LEU 28 7.936 -4.455 3.589 250 2HD1 LEU 28 2HD1 LEU 28 9.238 -4.115 4.728 251 3HD1 LEU 28 3HD1 LEU 28 9.617 -4.645 3.089 252 1HD2 LEU 28 1HD2 LEU 28 10.734 -2.961 2.068 253 2HD2 LEU 28 2HD2 LEU 28 11.040 -2.238 3.647 254 3HD2 LEU 28 3HD2 LEU 28 10.377 -1.255 2.341 255 H LEU 29 H LEU 29 7.119 1.089 2.685 256 HA LEU 29 HA LEU 29 6.191 1.716 -0.079 257 1HB LEU 29 2HB LEU 29 5.116 2.880 1.770 258 2HB LEU 29 1HB LEU 29 6.679 3.330 2.450 259 HG LEU 29 HG LEU 29 7.153 4.721 0.468 260 1HD1 LEU 29 1HD1 LEU 29 5.376 5.112 -1.200 261 2HD1 LEU 29 2HD1 LEU 29 4.351 3.927 -0.391 262 3HD1 LEU 29 3HD1 LEU 29 5.845 3.412 -1.174 263 1HD2 LEU 29 1HD2 LEU 29 5.423 6.454 0.883 264 2HD2 LEU 29 2HD2 LEU 29 6.007 5.748 2.389 265 3HD2 LEU 29 3HD2 LEU 29 4.445 5.258 1.734 266 H LYS 30 H LYS 30 7.679 2.348 -1.623 267 HA LYS 30 HA LYS 30 10.498 2.798 -0.705 268 1HB LYS 30 2HB LYS 30 9.287 1.792 -3.295 269 2HB LYS 30 1HB LYS 30 11.014 2.045 -3.048 270 1HG LYS 30 2HG LYS 30 10.081 0.534 -0.829 271 2HG LYS 30 1HG LYS 30 9.413 -0.217 -2.279 272 1HD LYS 30 2HD LYS 30 11.619 -0.405 -3.270 273 2HD LYS 30 1HD LYS 30 12.337 0.511 -1.943 274 1HE LYS 30 2HE LYS 30 12.513 -1.357 -0.668 275 2HE LYS 30 1HE LYS 30 10.807 -1.765 -0.938 276 1HZ LYS 30 1HZ LYS 30 12.945 -2.170 -2.961 277 2HZ LYS 30 2HZ LYS 30 11.334 -2.704 -3.048 278 3HZ LYS 30 3HZ LYS 30 12.401 -3.390 -1.917 279 H SER 31 H SER 31 11.770 4.187 -2.354 280 HA SER 31 HA SER 31 10.558 6.825 -2.499 281 1HB SER 31 2HB SER 31 13.007 6.096 -2.122 282 2HB SER 31 1HB SER 31 13.082 5.886 -3.870 283 HG SER 31 HG SER 31 12.532 8.059 -4.108 284 H ASP 32 H ASP 32 10.158 4.169 -4.535 285 HA ASP 32 HA ASP 32 10.258 5.555 -7.112 286 1HB ASP 32 2HB ASP 32 10.727 3.172 -6.911 287 2HB ASP 32 1HB ASP 32 9.165 2.892 -6.145 288 H GLY 33 H GLY 33 7.993 5.323 -4.524 289 1HA GLY 33 2HA GLY 33 5.987 6.651 -4.433 290 2HA GLY 33 1HA GLY 33 5.938 6.657 -6.196 291 H SER 34 H SER 34 6.467 3.778 -4.212 292 HA SER 34 HA SER 34 3.681 2.858 -4.585 293 1HB SER 34 2HB SER 34 4.593 2.343 -6.739 294 2HB SER 34 1HB SER 34 6.102 1.763 -6.042 295 HG SER 34 HG SER 34 5.171 -0.088 -5.551 296 H PHE 35 H PHE 35 3.185 1.118 -3.182 297 HA PHE 35 HA PHE 35 5.436 0.045 -1.533 298 1HB PHE 35 2HB PHE 35 4.042 0.355 0.478 299 2HB PHE 35 1HB PHE 35 4.323 1.889 -0.333 300 HD1 PHE 35 1HD PHE 35 1.847 -0.594 0.655 301 HD2 PHE 35 2HD PHE 35 2.501 2.955 -1.672 302 HE1 PHE 35 1HE PHE 35 -0.602 -0.214 0.551 303 HE2 PHE 35 2HE PHE 35 0.051 3.333 -1.783 304 HZ PHE 35 HZ PHE 35 -1.499 1.749 -0.670 305 H ILE 36 H ILE 36 5.279 -2.142 -1.096 306 HA ILE 36 HA ILE 36 2.873 -3.548 -2.217 307 HB ILE 36 HB ILE 36 5.815 -4.260 -1.997 308 1HG1 ILE 36 2HG1 ILE 36 5.173 -4.622 -4.573 309 2HG1 ILE 36 1HG1 ILE 36 3.923 -3.448 -4.166 310 1HG2 ILE 36 1HG2 ILE 36 3.752 -6.036 -3.287 311 2HG2 ILE 36 2HG2 ILE 36 4.091 -6.182 -1.562 312 3HG2 ILE 36 3HG2 ILE 36 5.378 -6.444 -2.739 313 1HD1 ILE 36 1HD1 ILE 36 5.413 -1.757 -4.106 314 2HD1 ILE 36 2HD1 ILE 36 6.574 -2.871 -4.827 315 3HD1 ILE 36 3HD1 ILE 36 6.512 -2.675 -3.076 316 H GLY 37 H GLY 37 1.817 -5.039 -0.934 317 1HA GLY 37 2HA GLY 37 2.666 -5.220 1.915 318 2HA GLY 37 1HA GLY 37 1.046 -5.560 1.308 319 H TYR 38 H TYR 38 3.921 -6.971 2.301 320 HA TYR 38 HA TYR 38 3.643 -9.438 0.674 321 1HB TYR 38 2HB TYR 38 5.687 -7.989 2.061 322 2HB TYR 38 1HB TYR 38 5.579 -9.593 2.782 323 HD1 TYR 38 1HD TYR 38 6.564 -7.668 -0.133 324 HD2 TYR 38 2HD TYR 38 5.776 -11.633 1.322 325 HE1 TYR 38 1HE TYR 38 7.789 -8.621 -2.066 326 HE2 TYR 38 2HE TYR 38 6.999 -12.585 -0.614 327 HH TYR 38 HH TYR 38 7.751 -10.851 -3.344 328 H LYS 39 H LYS 39 3.258 -11.514 1.693 329 HA LYS 39 HA LYS 39 1.289 -11.589 3.768 330 1HB LYS 39 2HB LYS 39 1.855 -14.048 3.759 331 2HB LYS 39 1HB LYS 39 1.554 -13.386 2.157 332 1HG LYS 39 2HG LYS 39 3.653 -13.859 1.469 333 2HG LYS 39 1HG LYS 39 4.363 -13.144 2.913 334 1HD LYS 39 2HD LYS 39 4.750 -15.181 3.778 335 2HD LYS 39 1HD LYS 39 3.041 -15.595 3.635 336 1HE LYS 39 2HE LYS 39 4.099 -15.686 0.999 337 2HE LYS 39 1HE LYS 39 5.245 -16.553 2.039 338 1HZ LYS 39 1HZ LYS 39 3.544 -17.917 2.885 339 2HZ LYS 39 2HZ LYS 39 3.272 -17.880 1.209 340 3HZ LYS 39 3HZ LYS 39 2.312 -16.939 2.248 341 H GLU 40 H GLU 40 4.793 -11.591 3.882 342 HA GLU 40 HA GLU 40 4.785 -11.182 6.794 343 1HB GLU 40 2HB GLU 40 4.784 -13.758 5.929 344 2HB GLU 40 1HB GLU 40 6.515 -13.430 5.860 345 1HG GLU 40 2HG GLU 40 6.711 -13.267 8.135 346 2HG GLU 40 1HG GLU 40 5.128 -12.514 8.320 347 H ARG 41 H ARG 41 7.564 -11.618 7.183 348 HA ARG 41 HA ARG 41 8.718 -9.308 5.852 349 1HB ARG 41 2HB ARG 41 9.507 -11.399 7.829 350 2HB ARG 41 1HB ARG 41 10.819 -10.562 7.000 351 1HG ARG 41 2HG ARG 41 10.311 -8.524 7.949 352 2HG ARG 41 1HG ARG 41 8.591 -8.888 8.067 353 1HD ARG 41 2HD ARG 41 9.705 -8.819 10.314 354 2HD ARG 41 1HD ARG 41 9.025 -10.417 9.956 355 HE ARG 41 HE ARG 41 11.221 -11.273 9.805 356 1HH1 ARG 41 1HH2 ARG 41 11.238 -7.795 9.636 357 2HH1 ARG 41 2HH2 ARG 41 12.962 -7.684 9.674 358 1HH2 ARG 41 1HH1 ARG 41 13.468 -11.110 9.849 359 2HH2 ARG 41 2HH1 ARG 41 14.221 -9.552 9.790 360 HA PRO 42 HA PRO 42 9.861 -11.901 2.341 361 1HB PRO 42 2HB PRO 42 10.285 -9.855 0.591 362 2HB PRO 42 1HB PRO 42 8.671 -10.466 0.992 363 1HG PRO 42 2HG PRO 42 10.017 -7.989 1.865 364 2HG PRO 42 1HG PRO 42 8.294 -8.325 1.649 365 1HD PRO 42 2HD PRO 42 9.681 -8.245 4.083 366 2HD PRO 42 1HD PRO 42 8.047 -8.887 3.821 367 H GLU 43 H GLU 43 11.875 -12.431 1.413 368 HA GLU 43 HA GLU 43 14.180 -10.672 1.474 369 1HB GLU 43 2HB GLU 43 13.493 -12.058 3.856 370 2HB GLU 43 1HB GLU 43 14.905 -12.882 3.192 371 1HG GLU 43 2HG GLU 43 15.995 -10.611 2.939 372 2HG GLU 43 1HG GLU 43 14.644 -9.937 3.851 373 H ALA 44 H ALA 44 13.264 -14.140 1.633 374 HA ALA 44 HA ALA 44 13.797 -15.944 0.213 375 1HB ALA 44 1HB ALA 44 14.959 -14.265 -1.906 376 2HB ALA 44 2HB ALA 44 13.375 -13.709 -1.366 377 3HB ALA 44 3HB ALA 44 13.573 -15.352 -1.973 378 HA PRO 45 HA PRO 45 18.102 -16.751 0.664 379 1HB PRO 45 2HB PRO 45 18.709 -18.309 -1.508 380 2HB PRO 45 1HB PRO 45 17.749 -18.893 -0.134 381 1HG PRO 45 2HG PRO 45 16.847 -17.959 -2.811 382 2HG PRO 45 1HG PRO 45 16.232 -19.285 -1.810 383 1HD PRO 45 2HD PRO 45 15.006 -16.856 -2.011 384 2HD PRO 45 1HD PRO 45 14.879 -17.906 -0.584 385 H ASP 46 H ASP 46 17.338 -15.907 -2.738 386 HA ASP 46 HA ASP 46 19.693 -14.052 -2.733 387 1HB ASP 46 2HB ASP 46 19.801 -16.390 -3.974 388 2HB ASP 46 1HB ASP 46 18.831 -15.560 -5.190 389 H GLN 47 H GLN 47 16.903 -14.947 -4.823 390 HA GLN 47 HA GLN 47 15.641 -12.336 -4.521 391 1HB GLN 47 2HB GLN 47 17.789 -12.481 -6.269 392 2HB GLN 47 1HB GLN 47 16.403 -12.699 -7.339 393 1HG GLN 47 2HG GLN 47 16.268 -10.542 -5.268 394 2HG GLN 47 1HG GLN 47 17.255 -10.265 -6.703 395 1HE2 GLN 47 1HE2 GLN 47 13.944 -10.666 -5.549 396 2HE2 GLN 47 2HE2 GLN 47 13.192 -10.284 -7.021 397 H THR 48 H THR 48 14.682 -14.963 -4.187 398 HA THR 48 HA THR 48 12.826 -15.286 -6.519 399 HB THR 48 HB THR 48 14.552 -17.064 -6.154 400 HG1 THR 48 1HG THR 48 13.015 -18.167 -7.023 401 1HG2 THR 48 1HG2 THR 48 15.002 -17.778 -4.078 402 2HG2 THR 48 2HG2 THR 48 13.360 -18.405 -3.940 403 3HG2 THR 48 3HG2 THR 48 13.717 -16.752 -3.443 404 H LEU 49 H LEU 49 11.899 -13.494 -4.902 405 HA LEU 49 HA LEU 49 10.079 -14.858 -2.943 406 1HB LEU 49 2HB LEU 49 10.007 -12.535 -1.897 407 2HB LEU 49 1HB LEU 49 11.571 -13.340 -1.825 408 HG LEU 49 HG LEU 49 11.208 -11.745 -4.268 409 1HD1 LEU 49 1HD1 LEU 49 11.779 -9.654 -2.686 410 2HD1 LEU 49 2HD1 LEU 49 10.742 -10.550 -1.577 411 3HD1 LEU 49 3HD1 LEU 49 10.126 -10.049 -3.152 412 1HD2 LEU 49 1HD2 LEU 49 13.278 -11.818 -2.049 413 2HD2 LEU 49 2HD2 LEU 49 13.455 -10.927 -3.560 414 3HD2 LEU 49 3HD2 LEU 49 13.364 -12.687 -3.581 415 HA PRO 50 HA PRO 50 7.029 -13.490 -5.928 416 1HB PRO 50 2HB PRO 50 4.955 -14.930 -4.884 417 2HB PRO 50 1HB PRO 50 6.215 -15.652 -5.903 418 1HG PRO 50 2HG PRO 50 5.838 -15.802 -2.975 419 2HG PRO 50 1HG PRO 50 6.541 -16.983 -4.088 420 1HD PRO 50 2HD PRO 50 7.964 -15.280 -2.399 421 2HD PRO 50 1HD PRO 50 8.630 -16.171 -3.783 422 HA PRO 51 HA PRO 51 5.371 -10.279 -3.279 423 1HB PRO 51 2HB PRO 51 4.088 -8.875 -5.246 424 2HB PRO 51 1HB PRO 51 5.841 -8.795 -4.986 425 1HG PRO 51 2HG PRO 51 4.298 -10.307 -7.024 426 2HG PRO 51 1HG PRO 51 5.859 -9.487 -7.168 427 1HD PRO 51 2HD PRO 51 5.566 -12.199 -6.887 428 2HD PRO 51 1HD PRO 51 7.021 -11.297 -6.410 429 H LEU 52 H LEU 52 3.384 -10.042 -2.226 430 HA LEU 52 HA LEU 52 1.184 -11.854 -3.071 431 1HB LEU 52 2HB LEU 52 2.182 -11.805 -0.753 432 2HB LEU 52 1HB LEU 52 1.534 -10.176 -0.566 433 HG LEU 52 HG LEU 52 -0.749 -11.048 -0.975 434 1HD1 LEU 52 1HD1 LEU 52 0.812 -13.513 -1.531 435 2HD1 LEU 52 2HD1 LEU 52 -0.728 -12.980 -2.204 436 3HD1 LEU 52 3HD1 LEU 52 -0.676 -13.736 -0.611 437 1HD2 LEU 52 1HD2 LEU 52 1.000 -11.966 1.245 438 2HD2 LEU 52 2HD2 LEU 52 -0.589 -12.721 1.131 439 3HD2 LEU 52 3HD2 LEU 52 -0.450 -10.971 1.293 440 H ASN 53 H ASN 53 1.584 -8.418 -2.069 441 HA ASN 53 HA ASN 53 -0.699 -7.702 -3.864 442 1HB ASN 53 2HB ASN 53 -0.681 -7.852 -0.983 443 2HB ASN 53 1HB ASN 53 -0.900 -6.172 -1.472 444 1HD2 ASN 53 1HD2 ASN 53 -2.114 -9.410 -2.568 445 2HD2 ASN 53 2HD2 ASN 53 -3.719 -8.893 -2.758 446 H ASN 54 H ASN 54 -0.181 -5.871 -5.040 447 HA ASN 54 HA ASN 54 2.067 -4.169 -4.013 448 1HB ASN 54 2HB ASN 54 2.758 -3.921 -6.290 449 2HB ASN 54 1HB ASN 54 2.387 -5.631 -6.088 450 1HD2 ASN 54 1HD2 ASN 54 1.768 -2.944 -8.068 451 2HD2 ASN 54 2HD2 ASN 54 0.383 -3.530 -8.852 452 H PHE 55 H PHE 55 1.727 -1.963 -3.913 453 HA PHE 55 HA PHE 55 -0.882 -0.900 -4.960 454 1HB PHE 55 2HB PHE 55 0.500 -0.657 -2.291 455 2HB PHE 55 1HB PHE 55 -0.619 0.592 -2.823 456 HD1 PHE 55 1HD PHE 55 -2.953 0.288 -2.655 457 HD2 PHE 55 2HD PHE 55 -0.331 -3.085 -2.223 458 HE1 PHE 55 1HE PHE 55 -4.867 -1.106 -1.927 459 HE2 PHE 55 2HE PHE 55 -2.248 -4.482 -1.499 460 HZ PHE 55 HZ PHE 55 -4.517 -3.491 -1.350 461 H SER 56 H SER 56 -0.467 0.709 -6.430 462 HA SER 56 HA SER 56 2.138 2.170 -6.292 463 1HB SER 56 2HB SER 56 1.041 2.850 -8.675 464 2HB SER 56 1HB SER 56 1.988 1.384 -8.450 465 HG SER 56 HG SER 56 -0.303 1.345 -9.402 466 H VAL 57 H VAL 57 2.060 4.216 -5.446 467 HA VAL 57 HA VAL 57 -0.564 5.557 -5.128 468 HB VAL 57 HB VAL 57 1.431 5.207 -3.423 469 1HG1 VAL 57 1HG1 VAL 57 3.136 6.771 -3.431 470 2HG1 VAL 57 2HG1 VAL 57 2.181 7.965 -4.310 471 3HG1 VAL 57 3HG1 VAL 57 2.885 6.596 -5.167 472 1HG2 VAL 57 1HG2 VAL 57 -0.649 6.322 -2.853 473 2HG2 VAL 57 2HG2 VAL 57 -0.160 7.770 -3.734 474 3HG2 VAL 57 3HG2 VAL 57 0.692 7.303 -2.263 475 H ALA 58 H ALA 58 1.856 5.564 -7.495 476 HA ALA 58 HA ALA 58 2.075 8.372 -8.107 477 1HB ALA 58 1HB ALA 58 2.619 7.267 -10.438 478 2HB ALA 58 2HB ALA 58 2.499 5.755 -9.539 479 3HB ALA 58 3HB ALA 58 3.692 6.966 -9.071 480 H GLU 59 H GLU 59 0.437 9.675 -8.831 481 HA GLU 59 HA GLU 59 -1.619 10.349 -9.775 482 1HB GLU 59 2HB GLU 59 -0.644 8.128 -11.601 483 2HB GLU 59 1HB GLU 59 -2.052 9.114 -11.988 484 1HG GLU 59 2HG GLU 59 -0.275 11.067 -11.363 485 2HG GLU 59 1HG GLU 59 0.822 9.844 -12.004 486 H CYS 60 H CYS 60 -3.169 7.935 -11.234 487 HA CYS 60 HA CYS 60 -4.951 6.514 -10.635 488 1HB CYS 60 2HB CYS 60 -2.690 6.061 -8.775 489 2HB CYS 60 1HB CYS 60 -4.239 5.433 -8.220 490 H GLN 61 H GLN 61 -6.059 5.927 -8.096 491 HA GLN 61 HA GLN 61 -6.763 8.590 -6.927 492 1HB GLN 61 2HB GLN 61 -8.309 7.772 -8.808 493 2HB GLN 61 1HB GLN 61 -8.787 6.476 -7.711 494 1HG GLN 61 2HG GLN 61 -8.844 9.086 -6.402 495 2HG GLN 61 1HG GLN 61 -9.900 9.033 -7.815 496 1HE2 GLN 61 1HE2 GLN 61 -9.564 7.987 -4.523 497 2HE2 GLN 61 2HE2 GLN 61 -10.955 7.017 -4.470 498 H LEU 62 H LEU 62 -6.799 8.467 -4.707 499 HA LEU 62 HA LEU 62 -7.056 5.756 -3.433 500 1HB LEU 62 2HB LEU 62 -4.761 6.746 -3.439 501 2HB LEU 62 1HB LEU 62 -5.391 8.149 -2.575 502 HG LEU 62 HG LEU 62 -6.265 5.805 -1.190 503 1HD1 LEU 62 1HD1 LEU 62 -3.890 5.249 -2.537 504 2HD1 LEU 62 2HD1 LEU 62 -4.506 4.392 -1.125 505 3HD1 LEU 62 3HD1 LEU 62 -3.359 5.716 -0.921 506 1HD2 LEU 62 1HD2 LEU 62 -4.793 6.824 0.606 507 2HD2 LEU 62 2HD2 LEU 62 -5.963 7.935 -0.103 508 3HD2 LEU 62 3HD2 LEU 62 -4.270 8.007 -0.592 509 H MET 63 H MET 63 -8.604 5.616 -1.841 510 HA MET 63 HA MET 63 -9.645 8.125 -0.595 511 1HB MET 63 2HB MET 63 -11.110 7.714 -2.452 512 2HB MET 63 1HB MET 63 -11.166 5.985 -2.111 513 1HG MET 63 2HG MET 63 -12.682 6.230 -0.400 514 2HG MET 63 1HG MET 63 -12.057 7.810 0.070 515 1HE MET 63 1HE MET 63 -15.239 6.498 -0.710 516 2HE MET 63 2HE MET 63 -15.895 8.125 -0.879 517 3HE MET 63 3HE MET 63 -14.746 7.776 0.411 518 H LYS 64 H LYS 64 -9.855 7.841 1.595 519 HA LYS 64 HA LYS 64 -9.433 5.175 2.775 520 1HB LYS 64 2HB LYS 64 -9.295 6.437 4.852 521 2HB LYS 64 1HB LYS 64 -8.414 7.324 3.611 522 1HG LYS 64 2HG LYS 64 -10.768 8.499 3.248 523 2HG LYS 64 1HG LYS 64 -11.032 7.977 4.911 524 1HD LYS 64 2HD LYS 64 -8.725 9.021 5.414 525 2HD LYS 64 1HD LYS 64 -8.884 9.814 3.848 526 1HE LYS 64 2HE LYS 64 -9.739 11.332 5.552 527 2HE LYS 64 1HE LYS 64 -11.125 10.716 4.634 528 1HZ LYS 64 1HZ LYS 64 -11.785 9.378 6.331 529 2HZ LYS 64 2HZ LYS 64 -11.024 10.574 7.266 530 3HZ LYS 64 3HZ LYS 64 -10.212 9.124 6.914 531 H THR 65 H THR 65 -10.990 4.161 4.215 532 HA THR 65 HA THR 65 -13.768 5.228 4.198 533 HB THR 65 HB THR 65 -13.793 3.972 2.190 534 HG1 THR 65 1HG THR 65 -15.114 2.274 2.680 535 1HG2 THR 65 1HG2 THR 65 -11.892 2.191 3.660 536 2HG2 THR 65 2HG2 THR 65 -11.782 2.837 2.024 537 3HG2 THR 65 3HG2 THR 65 -12.866 1.491 2.369 538 H GLU 66 H GLU 66 -15.207 3.522 5.453 539 HA GLU 66 HA GLU 66 -13.632 2.413 7.757 540 1HB GLU 66 2HB GLU 66 -16.329 3.808 7.820 541 2HB GLU 66 1HB GLU 66 -15.386 3.285 9.216 542 1HG GLU 66 2HG GLU 66 -13.645 4.872 7.663 543 2HG GLU 66 1HG GLU 66 -15.179 5.739 7.705 544 H ARG 67 H ARG 67 -14.719 1.079 5.315 545 HA ARG 67 HA ARG 67 -16.424 -0.949 6.696 546 1HB ARG 67 2HB ARG 67 -17.056 0.834 4.416 547 2HB ARG 67 1HB ARG 67 -17.488 -0.859 4.172 548 1HG ARG 67 2HG ARG 67 -19.210 -0.723 5.622 549 2HG ARG 67 1HG ARG 67 -18.207 0.055 6.846 550 1HD ARG 67 2HD ARG 67 -18.866 1.794 4.542 551 2HD ARG 67 1HD ARG 67 -20.256 1.315 5.535 552 HE ARG 67 HE ARG 67 -17.835 2.228 6.983 553 1HH1 ARG 67 1HH2 ARG 67 -21.043 2.911 5.808 554 2HH1 ARG 67 2HH2 ARG 67 -21.294 4.212 6.917 555 1HH2 ARG 67 1HH1 ARG 67 -18.177 3.927 8.410 556 2HH2 ARG 67 2HH1 ARG 67 -19.678 4.791 8.382 557 HA PRO 68 HA PRO 68 -17.245 -2.839 6.274 558 1HB PRO 68 2HB PRO 68 -16.354 -5.234 7.245 559 2HB PRO 68 1HB PRO 68 -17.121 -5.056 5.654 560 1HG PRO 68 2HG PRO 68 -14.238 -5.295 6.350 561 2HG PRO 68 1HG PRO 68 -15.131 -5.985 4.986 562 1HD PRO 68 2HD PRO 68 -13.546 -3.775 4.787 563 2HD PRO 68 1HD PRO 68 -14.940 -4.086 3.731 564 H ARG 69 H ARG 69 -13.982 -2.228 7.116 565 HA ARG 69 HA ARG 69 -14.711 -2.092 10.025 566 1HB ARG 69 2HB ARG 69 -12.601 -3.480 8.591 567 2HB ARG 69 1HB ARG 69 -11.917 -2.355 9.763 568 1HG ARG 69 2HG ARG 69 -12.250 -4.108 11.197 569 2HG ARG 69 1HG ARG 69 -13.882 -3.443 11.273 570 1HD ARG 69 2HD ARG 69 -14.783 -5.152 10.012 571 2HD ARG 69 1HD ARG 69 -13.308 -5.351 9.047 572 HE ARG 69 HE ARG 69 -12.976 -6.051 11.877 573 1HH1 ARG 69 1HH2 ARG 69 -13.851 -7.148 8.694 574 2HH1 ARG 69 2HH2 ARG 69 -13.491 -8.804 9.036 575 1HH2 ARG 69 1HH1 ARG 69 -12.509 -8.222 12.308 576 2HH2 ARG 69 2HH1 ARG 69 -12.734 -9.410 11.071 577 HA PRO 70 HA PRO 70 -13.498 2.127 9.850 578 1HB PRO 70 2HB PRO 70 -12.303 2.493 12.288 579 2HB PRO 70 1HB PRO 70 -14.057 2.309 12.082 580 1HG PRO 70 2HG PRO 70 -12.031 0.296 12.931 581 2HG PRO 70 1HG PRO 70 -13.670 0.572 13.539 582 1HD PRO 70 2HD PRO 70 -13.049 -1.435 11.821 583 2HD PRO 70 1HD PRO 70 -14.643 -0.650 11.857 584 H ASN 71 H ASN 71 -11.648 3.551 9.628 585 HA ASN 71 HA ASN 71 -9.460 4.085 8.960 586 1HB ASN 71 2HB ASN 71 -9.372 2.336 11.281 587 2HB ASN 71 1HB ASN 71 -7.936 2.118 10.282 588 1HD2 ASN 71 1HD2 ASN 71 -9.937 4.801 11.654 589 2HD2 ASN 71 2HD2 ASN 71 -8.615 5.829 11.933 590 H THR 72 H THR 72 -10.508 2.950 6.885 591 HA THR 72 HA THR 72 -8.764 0.635 6.100 592 HB THR 72 HB THR 72 -11.545 1.499 5.253 593 HG1 THR 72 1HG THR 72 -10.458 -0.582 6.807 594 1HG2 THR 72 1HG2 THR 72 -9.661 -0.565 4.139 595 2HG2 THR 72 2HG2 THR 72 -10.674 0.589 3.273 596 3HG2 THR 72 3HG2 THR 72 -11.404 -0.814 4.053 597 H PHE 73 H PHE 73 -7.850 0.692 3.976 598 HA PHE 73 HA PHE 73 -7.800 3.406 2.684 599 1HB PHE 73 2HB PHE 73 -5.758 1.556 3.673 600 2HB PHE 73 1HB PHE 73 -5.479 2.000 1.992 601 HD1 PHE 73 1HD PHE 73 -3.561 3.402 2.290 602 HD2 PHE 73 2HD PHE 73 -7.153 4.155 4.523 603 HE1 PHE 73 1HE PHE 73 -2.649 5.585 3.028 604 HE2 PHE 73 2HE PHE 73 -6.239 6.335 5.253 605 HZ PHE 73 HZ PHE 73 -3.990 7.048 4.513 606 H VAL 74 H VAL 74 -8.491 3.415 0.576 607 HA VAL 74 HA VAL 74 -8.427 0.843 -0.974 608 HB VAL 74 HB VAL 74 -10.633 2.916 -0.717 609 1HG1 VAL 74 1HG1 VAL 74 -10.106 0.792 -2.736 610 2HG1 VAL 74 2HG1 VAL 74 -10.971 2.319 -2.908 611 3HG1 VAL 74 3HG1 VAL 74 -11.764 0.937 -2.153 612 1HG2 VAL 74 1HG2 VAL 74 -10.142 0.882 0.976 613 2HG2 VAL 74 2HG2 VAL 74 -11.049 -0.001 -0.252 614 3HG2 VAL 74 3HG2 VAL 74 -11.780 1.382 0.560 615 H ILE 75 H ILE 75 -7.470 1.105 -2.973 616 HA ILE 75 HA ILE 75 -7.419 3.850 -4.170 617 HB ILE 75 HB ILE 75 -5.274 3.546 -3.125 618 1HG1 ILE 75 2HG1 ILE 75 -4.618 2.638 -5.908 619 2HG1 ILE 75 1HG1 ILE 75 -5.477 4.163 -5.698 620 1HG2 ILE 75 1HG2 ILE 75 -5.308 0.800 -4.407 621 2HG2 ILE 75 2HG2 ILE 75 -5.269 1.180 -2.687 622 3HG2 ILE 75 3HG2 ILE 75 -3.865 1.521 -3.697 623 1HD1 ILE 75 1HD1 ILE 75 -3.721 5.108 -4.420 624 2HD1 ILE 75 2HD1 ILE 75 -2.901 4.264 -5.733 625 3HD1 ILE 75 3HD1 ILE 75 -2.977 3.536 -4.129 626 H ARG 76 H ARG 76 -8.579 3.634 -6.048 627 HA ARG 76 HA ARG 76 -8.028 1.219 -7.745 628 1HB ARG 76 2HB ARG 76 -10.431 1.255 -8.332 629 2HB ARG 76 1HB ARG 76 -10.209 1.087 -6.592 630 1HG ARG 76 2HG ARG 76 -11.605 2.849 -6.375 631 2HG ARG 76 1HG ARG 76 -10.284 3.846 -6.980 632 1HD ARG 76 2HD ARG 76 -11.140 3.168 -9.348 633 2HD ARG 76 1HD ARG 76 -12.633 2.717 -8.499 634 HE ARG 76 HE ARG 76 -11.697 5.321 -7.643 635 1HH1 ARG 76 1HH2 ARG 76 -13.363 3.625 -10.193 636 2HH1 ARG 76 2HH2 ARG 76 -14.251 5.020 -10.698 637 1HH2 ARG 76 1HH1 ARG 76 -12.863 7.123 -8.308 638 2HH2 ARG 76 2HH1 ARG 76 -13.972 6.996 -9.633 639 H CYS 77 H CYS 77 -7.773 1.618 -9.947 640 HA CYS 77 HA CYS 77 -8.573 4.092 -11.243 641 1HB CYS 77 2HB CYS 77 -6.104 4.773 -11.616 642 2HB CYS 77 1HB CYS 77 -6.792 5.092 -10.026 643 H LEU 78 H LEU 78 -9.365 2.531 -12.800 644 HA LEU 78 HA LEU 78 -7.205 1.360 -14.521 645 1HB LEU 78 2HB LEU 78 -9.534 0.113 -13.140 646 2HB LEU 78 1HB LEU 78 -9.211 -0.444 -14.783 647 HG LEU 78 HG LEU 78 -6.684 -0.396 -13.678 648 1HD1 LEU 78 1HD1 LEU 78 -8.655 -1.348 -11.576 649 2HD1 LEU 78 2HD1 LEU 78 -7.579 0.043 -11.437 650 3HD1 LEU 78 3HD1 LEU 78 -6.909 -1.587 -11.509 651 1HD2 LEU 78 1HD2 LEU 78 -7.010 -2.898 -13.520 652 2HD2 LEU 78 2HD2 LEU 78 -7.523 -2.198 -15.057 653 3HD2 LEU 78 3HD2 LEU 78 -8.725 -2.634 -13.840 654 H GLN 79 H GLN 79 -10.705 1.030 -14.975 655 HA GLN 79 HA GLN 79 -11.050 3.285 -16.755 656 1HB GLN 79 2HB GLN 79 -9.594 1.085 -17.762 657 2HB GLN 79 1HB GLN 79 -11.201 0.939 -18.471 658 1HG GLN 79 2HG GLN 79 -11.087 3.212 -19.328 659 2HG GLN 79 1HG GLN 79 -9.551 3.482 -18.504 660 1HE2 GLN 79 1HE2 GLN 79 -10.735 2.851 -21.530 661 2HE2 GLN 79 2HE2 GLN 79 -9.424 1.990 -22.179 662 H TRP 80 H TRP 80 -12.119 -0.128 -16.972 663 HA TRP 80 HA TRP 80 -14.836 0.651 -16.016 664 1HB TRP 80 2HB TRP 80 -15.730 -0.620 -18.062 665 2HB TRP 80 1HB TRP 80 -15.006 0.953 -18.384 666 HD1 TRP 80 HD TRP 80 -12.890 1.041 -19.866 667 HE1 TRP 80 1HE TRP 80 -11.512 -0.721 -21.143 668 HE3 TRP 80 3HE TRP 80 -14.923 -3.234 -17.946 669 HZ2 TRP 80 2HZ TRP 80 -11.301 -3.567 -21.330 670 HZ3 TRP 80 3HZ TRP 80 -14.116 -5.454 -18.692 671 HH2 TRP 80 HH TRP 80 -12.309 -5.626 -20.380 672 H THR 81 H THR 81 -12.364 -1.293 -15.399 673 HA THR 81 HA THR 81 -13.794 -3.890 -15.329 674 HB THR 81 HB THR 81 -11.004 -3.138 -14.397 675 HG1 THR 81 1HG THR 81 -10.691 -2.797 -16.443 676 1HG2 THR 81 1HG2 THR 81 -10.609 -5.577 -14.986 677 2HG2 THR 81 2HG2 THR 81 -12.360 -5.741 -15.132 678 3HG2 THR 81 3HG2 THR 81 -11.640 -5.300 -13.583 679 H THR 82 H THR 82 -15.032 -4.341 -13.563 680 HA THR 82 HA THR 82 -14.598 -2.874 -11.017 681 HB THR 82 HB THR 82 -16.789 -4.115 -10.486 682 HG1 THR 82 1HG THR 82 -16.688 -5.770 -11.945 683 1HG2 THR 82 1HG2 THR 82 -18.100 -2.668 -12.072 684 2HG2 THR 82 2HG2 THR 82 -16.582 -2.266 -12.875 685 3HG2 THR 82 3HG2 THR 82 -16.838 -1.804 -11.192 686 H VAL 83 H VAL 83 -13.282 -3.799 -9.506 687 HA VAL 83 HA VAL 83 -13.313 -6.782 -9.205 688 HB VAL 83 HB VAL 83 -10.803 -6.476 -8.705 689 1HG1 VAL 83 1HG1 VAL 83 -11.867 -5.913 -11.488 690 2HG1 VAL 83 2HG1 VAL 83 -11.604 -7.504 -10.773 691 3HG1 VAL 83 3HG1 VAL 83 -10.229 -6.456 -11.124 692 1HG2 VAL 83 1HG2 VAL 83 -9.722 -4.497 -9.552 693 2HG2 VAL 83 2HG2 VAL 83 -11.018 -3.955 -8.487 694 3HG2 VAL 83 3HG2 VAL 83 -11.230 -3.894 -10.237 695 H ILE 84 H ILE 84 -12.083 -7.304 -7.015 696 HA ILE 84 HA ILE 84 -13.046 -5.368 -4.928 697 HB ILE 84 HB ILE 84 -13.449 -7.419 -3.560 698 1HG1 ILE 84 2HG1 ILE 84 -13.121 -9.114 -6.009 699 2HG1 ILE 84 1HG1 ILE 84 -11.672 -8.689 -5.098 700 1HG2 ILE 84 1HG2 ILE 84 -14.795 -7.773 -6.236 701 2HG2 ILE 84 2HG2 ILE 84 -15.143 -6.377 -5.216 702 3HG2 ILE 84 3HG2 ILE 84 -15.472 -8.006 -4.624 703 1HD1 ILE 84 1HD1 ILE 84 -12.736 -10.843 -4.352 704 2HD1 ILE 84 2HD1 ILE 84 -14.149 -9.913 -3.853 705 3HD1 ILE 84 3HD1 ILE 84 -12.593 -9.641 -3.069 706 H GLU 85 H GLU 85 -10.387 -5.301 -6.094 707 HA GLU 85 HA GLU 85 -8.712 -6.288 -3.805 708 1HB GLU 85 2HB GLU 85 -8.183 -5.896 -6.765 709 2HB GLU 85 1HB GLU 85 -6.893 -6.205 -5.605 710 1HG GLU 85 2HG GLU 85 -7.308 -8.406 -5.880 711 2HG GLU 85 1HG GLU 85 -8.828 -8.144 -5.024 712 H ARG 86 H ARG 86 -6.420 -4.804 -4.318 713 HA ARG 86 HA ARG 86 -5.431 -2.704 -3.934 714 1HB ARG 86 2HB ARG 86 -7.739 -2.301 -5.747 715 2HB ARG 86 1HB ARG 86 -7.141 -0.844 -4.959 716 1HG ARG 86 2HG ARG 86 -5.706 -0.856 -6.756 717 2HG ARG 86 1HG ARG 86 -4.782 -1.911 -5.686 718 1HD ARG 86 2HD ARG 86 -5.994 -3.884 -6.734 719 2HD ARG 86 1HD ARG 86 -6.639 -2.753 -7.937 720 HE ARG 86 HE ARG 86 -3.825 -3.588 -7.682 721 1HH1 ARG 86 1HH2 ARG 86 -6.105 -1.282 -8.951 722 2HH1 ARG 86 2HH2 ARG 86 -5.042 -0.739 -10.200 723 1HH2 ARG 86 1HH1 ARG 86 -2.450 -2.875 -9.313 724 2HH2 ARG 86 2HH1 ARG 86 -2.974 -1.641 -10.407 725 H THR 87 H THR 87 -7.487 -3.828 -1.943 726 HA THR 87 HA THR 87 -7.927 -1.262 -0.464 727 HB THR 87 HB THR 87 -9.839 -3.576 -0.912 728 HG1 THR 87 1HG THR 87 -9.746 -0.854 -1.642 729 1HG2 THR 87 1HG2 THR 87 -10.130 -2.982 1.378 730 2HG2 THR 87 2HG2 THR 87 -11.399 -2.122 0.506 731 3HG2 THR 87 3HG2 THR 87 -9.950 -1.262 1.030 732 H PHE 88 H PHE 88 -7.270 -1.381 1.668 733 HA PHE 88 HA PHE 88 -7.049 -4.027 2.989 734 1HB PHE 88 2HB PHE 88 -4.715 -3.887 3.318 735 2HB PHE 88 1HB PHE 88 -4.925 -3.339 1.658 736 HD1 PHE 88 1HD PHE 88 -4.532 -2.142 5.169 737 HD2 PHE 88 2HD PHE 88 -4.242 -1.164 0.997 738 HE1 PHE 88 1HE PHE 88 -3.446 0.004 5.747 739 HE2 PHE 88 2HE PHE 88 -3.149 0.987 1.582 740 HZ PHE 88 HZ PHE 88 -2.751 1.567 3.962 741 H HIS 89 H HIS 89 -6.620 -3.783 5.340 742 HA HIS 89 HA HIS 89 -7.723 -1.205 6.417 743 1HB HIS 89 2HB HIS 89 -7.772 -4.092 7.351 744 2HB HIS 89 1HB HIS 89 -8.333 -2.755 8.350 745 HD1 HIS 89 1HD HIS 89 -10.710 -3.996 8.175 746 HD2 HIS 89 2HD HIS 89 -9.300 -2.329 4.628 747 HE1 HIS 89 1HE HIS 89 -12.699 -3.837 6.619 748 H VAL 90 H VAL 90 -6.679 -0.335 8.343 749 HA VAL 90 HA VAL 90 -3.842 -1.224 8.654 750 HB VAL 90 HB VAL 90 -3.590 0.972 9.792 751 1HG1 VAL 90 1HG1 VAL 90 -3.129 1.295 7.563 752 2HG1 VAL 90 2HG1 VAL 90 -4.541 2.340 7.701 753 3HG1 VAL 90 3HG1 VAL 90 -4.709 0.714 7.040 754 1HG2 VAL 90 1HG2 VAL 90 -5.359 2.134 10.569 755 2HG2 VAL 90 2HG2 VAL 90 -6.359 0.740 10.167 756 3HG2 VAL 90 3HG2 VAL 90 -6.174 2.055 9.008 757 H ASP 91 H ASP 91 -2.973 -1.568 10.803 758 HA ASP 91 HA ASP 91 -4.891 -2.835 12.645 759 1HB ASP 91 2HB ASP 91 -2.347 -3.363 11.880 760 2HB ASP 91 1HB ASP 91 -2.025 -2.451 13.355 761 H SER 92 H SER 92 -3.275 0.257 12.370 762 HA SER 92 HA SER 92 -4.361 1.018 15.060 763 1HB SER 92 2HB SER 92 -1.652 1.639 13.842 764 2HB SER 92 1HB SER 92 -2.255 2.364 15.328 765 HG SER 92 HG SER 92 -1.320 -0.193 14.819 766 HA PRO 93 HA PRO 93 -6.016 4.491 12.897 767 1HB PRO 93 2HB PRO 93 -5.963 6.393 14.876 768 2HB PRO 93 1HB PRO 93 -7.148 5.070 14.836 769 1HG PRO 93 2HG PRO 93 -4.623 5.298 16.409 770 2HG PRO 93 1HG PRO 93 -6.208 4.681 16.906 771 1HD PRO 93 2HD PRO 93 -4.160 3.044 16.252 772 2HD PRO 93 1HD PRO 93 -5.858 2.618 15.937 773 H ASP 94 H ASP 94 -3.047 4.930 14.787 774 HA ASP 94 HA ASP 94 -2.124 7.325 13.457 775 1HB ASP 94 2HB ASP 94 -1.473 6.068 15.709 776 2HB ASP 94 1HB ASP 94 -0.303 5.262 14.663 777 H GLU 95 H GLU 95 -1.839 3.842 12.800 778 HA GLU 95 HA GLU 95 0.250 3.974 10.829 779 1HB GLU 95 2HB GLU 95 -1.688 2.081 11.908 780 2HB GLU 95 1HB GLU 95 -1.511 1.877 10.167 781 1HG GLU 95 2HG GLU 95 0.297 0.611 10.738 782 2HG GLU 95 1HG GLU 95 1.100 2.172 10.911 783 H ARG 96 H ARG 96 -3.329 3.930 10.475 784 HA ARG 96 HA ARG 96 -3.425 4.256 7.641 785 1HB ARG 96 2HB ARG 96 -5.260 3.726 9.378 786 2HB ARG 96 1HB ARG 96 -5.359 5.471 9.624 787 1HG ARG 96 2HG ARG 96 -5.456 5.447 6.945 788 2HG ARG 96 1HG ARG 96 -6.130 3.845 7.239 789 1HD ARG 96 2HD ARG 96 -8.116 4.928 7.513 790 2HD ARG 96 1HD ARG 96 -7.477 5.442 9.081 791 HE ARG 96 HE ARG 96 -7.286 7.035 6.557 792 1HH1 ARG 96 1HH2 ARG 96 -7.154 6.794 10.037 793 2HH1 ARG 96 2HH2 ARG 96 -6.876 8.486 10.251 794 1HH2 ARG 96 1HH1 ARG 96 -6.939 9.232 6.870 795 2HH2 ARG 96 2HH1 ARG 96 -6.758 9.857 8.475 796 H GLU 97 H GLU 97 -3.224 6.650 10.272 797 HA GLU 97 HA GLU 97 -3.426 8.999 8.606 798 1HB GLU 97 2HB GLU 97 -2.225 8.439 11.339 799 2HB GLU 97 1HB GLU 97 -2.438 10.061 10.680 800 1HG GLU 97 2HG GLU 97 -4.807 8.245 10.662 801 2HG GLU 97 1HG GLU 97 -4.306 8.914 12.214 802 H GLU 98 H GLU 98 -0.701 7.013 9.745 803 HA GLU 98 HA GLU 98 1.411 8.730 8.804 804 1HB GLU 98 2HB GLU 98 1.436 6.767 10.471 805 2HB GLU 98 1HB GLU 98 1.482 5.715 9.053 806 1HG GLU 98 2HG GLU 98 3.752 5.991 9.475 807 2HG GLU 98 1HG GLU 98 3.467 7.291 8.319 808 H TRP 99 H TRP 99 -0.353 5.996 7.299 809 HA TRP 99 HA TRP 99 1.218 5.851 4.893 810 1HB TRP 99 2HB TRP 99 -1.718 5.244 5.405 811 2HB TRP 99 1HB TRP 99 -0.797 4.682 4.012 812 HD1 TRP 99 HD TRP 99 -2.053 3.280 6.949 813 HE1 TRP 99 1HE TRP 99 -0.573 1.428 7.941 814 HE3 TRP 99 3HE TRP 99 2.320 4.225 4.479 815 HZ2 TRP 99 2HZ TRP 99 2.105 0.460 7.715 816 HZ3 TRP 99 3HZ TRP 99 4.321 2.817 4.889 817 HH2 TRP 99 HH TRP 99 4.217 0.937 6.505 818 H MET 100 H MET 100 -1.782 7.654 5.675 819 HA MET 100 HA MET 100 -2.142 8.917 3.132 820 1HB MET 100 2HB MET 100 -3.652 8.761 5.244 821 2HB MET 100 1HB MET 100 -2.754 10.165 5.821 822 1HG MET 100 2HG MET 100 -3.592 11.557 4.155 823 2HG MET 100 1HG MET 100 -3.910 10.218 3.052 824 1HE MET 100 1HE MET 100 -5.528 8.228 3.823 825 2HE MET 100 2HE MET 100 -6.142 9.342 2.605 826 3HE MET 100 3HE MET 100 -7.200 8.795 3.901 827 H ARG 101 H ARG 101 -0.375 9.943 6.058 828 HA ARG 101 HA ARG 101 0.564 12.478 5.101 829 1HB ARG 101 2HB ARG 101 0.772 10.780 7.374 830 2HB ARG 101 1HB ARG 101 2.420 11.154 6.874 831 1HG ARG 101 2HG ARG 101 2.247 13.273 7.609 832 2HG ARG 101 1HG ARG 101 0.729 13.512 6.744 833 1HD ARG 101 2HD ARG 101 0.332 13.771 9.156 834 2HD ARG 101 1HD ARG 101 -0.453 12.282 8.598 835 HE ARG 101 HE ARG 101 1.306 10.990 9.619 836 1HH1 ARG 101 1HH2 ARG 101 1.771 14.429 9.963 837 2HH1 ARG 101 2HH2 ARG 101 2.946 14.258 11.219 838 1HH2 ARG 101 1HH1 ARG 101 2.848 10.789 11.239 839 2HH2 ARG 101 2HH1 ARG 101 3.558 12.207 11.936 840 H ALA 102 H ALA 102 1.982 9.202 4.980 841 HA ALA 102 HA ALA 102 4.475 9.953 3.746 842 1HB ALA 102 1HB ALA 102 2.898 7.357 3.665 843 2HB ALA 102 2HB ALA 102 4.006 7.830 4.954 844 3HB ALA 102 3HB ALA 102 4.622 7.525 3.329 845 H ILE 103 H ILE 103 1.342 8.847 2.425 846 HA ILE 103 HA ILE 103 2.087 8.684 -0.327 847 HB ILE 103 HB ILE 103 -0.497 9.274 1.148 848 1HG1 ILE 103 2HG1 ILE 103 0.222 6.824 -0.459 849 2HG1 ILE 103 1HG1 ILE 103 0.763 6.998 1.211 850 1HG2 ILE 103 1HG2 ILE 103 0.066 9.137 -1.800 851 2HG2 ILE 103 2HG2 ILE 103 -1.042 10.193 -0.924 852 3HG2 ILE 103 3HG2 ILE 103 -1.461 8.500 -1.187 853 1HD1 ILE 103 1HD1 ILE 103 -2.046 6.785 0.152 854 2HD1 ILE 103 2HD1 ILE 103 -1.738 7.565 1.704 855 3HD1 ILE 103 3HD1 ILE 103 -1.283 5.879 1.459 856 H GLN 104 H GLN 104 0.900 11.429 1.628 857 HA GLN 104 HA GLN 104 0.657 13.332 -0.507 858 1HB GLN 104 2HB GLN 104 -0.250 13.468 1.846 859 2HB GLN 104 1HB GLN 104 1.389 13.796 2.403 860 1HG GLN 104 2HG GLN 104 0.418 15.942 2.146 861 2HG GLN 104 1HG GLN 104 1.393 15.729 0.693 862 1HE2 GLN 104 1HE2 GLN 104 0.307 15.892 -1.303 863 2HE2 GLN 104 2HE2 GLN 104 -1.381 15.938 -1.470 864 H MET 105 H MET 105 3.398 12.528 1.653 865 HA MET 105 HA MET 105 5.190 14.543 0.586 866 1HB MET 105 2HB MET 105 5.209 12.271 2.461 867 2HB MET 105 1HB MET 105 6.749 12.505 1.633 868 1HG MET 105 2HG MET 105 6.862 13.871 3.587 869 2HG MET 105 1HG MET 105 6.546 14.979 2.251 870 1HE MET 105 1HE MET 105 5.838 14.719 5.726 871 2HE MET 105 2HE MET 105 4.668 16.035 5.665 872 3HE MET 105 3HE MET 105 6.180 16.167 4.770 873 H VAL 106 H VAL 106 4.685 11.071 -0.098 874 HA VAL 106 HA VAL 106 6.794 10.836 -2.066 875 HB VAL 106 HB VAL 106 4.242 9.287 -1.494 876 1HG1 VAL 106 1HG1 VAL 106 4.677 8.574 -3.660 877 2HG1 VAL 106 2HG1 VAL 106 5.704 7.467 -2.750 878 3HG1 VAL 106 3HG1 VAL 106 6.408 8.885 -3.527 879 1HG2 VAL 106 1HG2 VAL 106 5.445 8.225 0.101 880 2HG2 VAL 106 2HG2 VAL 106 6.646 9.504 -0.081 881 3HG2 VAL 106 3HG2 VAL 106 6.815 8.000 -0.987 882 H ALA 107 H ALA 107 3.295 11.535 -2.268 883 HA ALA 107 HA ALA 107 2.992 11.565 -5.094 884 1HB ALA 107 1HB ALA 107 1.169 11.640 -3.425 885 2HB ALA 107 2HB ALA 107 1.028 12.975 -4.568 886 3HB ALA 107 3HB ALA 107 1.672 13.263 -2.951 887 H ASN 108 H ASN 108 4.302 14.014 -2.881 888 HA ASN 108 HA ASN 108 4.307 16.281 -4.601 889 1HB ASN 108 2HB ASN 108 5.660 15.311 -2.173 890 2HB ASN 108 1HB ASN 108 6.649 16.425 -3.115 891 1HD2 ASN 108 1HD2 ASN 108 3.693 16.147 -1.202 892 2HD2 ASN 108 2HD2 ASN 108 3.344 17.807 -1.177 893 H SER 109 H SER 109 6.667 13.619 -4.258 894 HA SER 109 HA SER 109 8.362 14.685 -6.431 895 1HB SER 109 2HB SER 109 8.705 13.097 -4.161 896 2HB SER 109 1HB SER 109 8.865 11.958 -5.494 897 HG SER 109 HG SER 109 10.438 14.148 -4.788 898 H LEU 110 H LEU 110 5.559 12.739 -6.218 899 HA LEU 110 HA LEU 110 6.190 11.124 -8.628 900 1HB LEU 110 2HB LEU 110 4.392 11.043 -6.315 901 2HB LEU 110 1HB LEU 110 3.569 10.643 -7.820 902 HG LEU 110 HG LEU 110 5.331 8.962 -8.315 903 1HD1 LEU 110 1HD1 LEU 110 6.308 9.621 -5.517 904 2HD1 LEU 110 2HD1 LEU 110 7.140 10.070 -7.006 905 3HD1 LEU 110 3HD1 LEU 110 6.955 8.370 -6.579 906 1HD2 LEU 110 1HD2 LEU 110 4.178 7.394 -7.134 907 2HD2 LEU 110 2HD2 LEU 110 3.214 8.758 -6.566 908 3HD2 LEU 110 3HD2 LEU 110 4.552 8.157 -5.588 909 H LYS 111 H LYS 111 5.421 14.219 -8.370 910 HA LYS 111 HA LYS 111 2.953 14.640 -9.738 911 1HB LYS 111 2HB LYS 111 4.010 16.871 -10.227 912 2HB LYS 111 1HB LYS 111 4.149 16.386 -8.537 913 1HG LYS 111 2HG LYS 111 6.400 16.413 -8.650 914 2HG LYS 111 1HG LYS 111 6.391 15.360 -10.065 915 1HD LYS 111 2HD LYS 111 5.657 18.255 -10.392 916 2HD LYS 111 1HD LYS 111 7.358 17.807 -10.257 917 1HE LYS 111 2HE LYS 111 7.248 16.408 -12.203 918 2HE LYS 111 1HE LYS 111 5.475 16.475 -12.230 919 1HZ LYS 111 1HZ LYS 111 5.571 18.841 -12.604 920 2HZ LYS 111 2HZ LYS 111 6.489 18.057 -13.799 921 3HZ LYS 111 3HZ LYS 111 7.265 18.835 -12.504
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