NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12473 | 1t0g | 6138 | 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 1HT MET 1 -10.636 -16.040 3.193 2 2H MET 1 2HT MET 1 -11.847 -17.191 3.276 3 3H MET 1 3HT MET 1 -10.833 -16.898 4.620 4 HA MET 1 HA MET 1 -12.703 -14.930 3.431 5 1HB MET 1 2HB MET 1 -12.840 -16.299 6.144 6 2HB MET 1 1HB MET 1 -13.932 -15.077 5.542 7 1HG MET 1 2HG MET 1 -14.725 -16.606 3.819 8 2HG MET 1 1HG MET 1 -13.611 -17.842 4.404 9 1HE MET 1 1HE MET 1 -17.208 -16.239 6.830 10 2HE MET 1 2HE MET 1 -16.809 -15.710 5.192 11 3HE MET 1 3HE MET 1 -15.758 -15.280 6.541 12 H GLY 2 H GLY 2 -13.055 -13.246 5.361 13 1HA GLY 2 2HA GLY 2 -10.428 -12.570 6.464 14 2HA GLY 2 1HA GLY 2 -11.451 -11.361 5.686 15 H HIS 3 H HIS 3 -11.634 -10.159 7.619 16 HA HIS 3 HA HIS 3 -13.545 -11.375 9.465 17 1HB HIS 3 2HB HIS 3 -11.192 -9.640 10.213 18 2HB HIS 3 1HB HIS 3 -12.565 -9.884 11.282 19 HD1 HIS 3 1HD HIS 3 -12.599 -12.015 12.650 20 HD2 HIS 3 2HD HIS 3 -9.610 -11.975 9.763 21 HE1 HIS 3 1HE HIS 3 -11.157 -13.998 13.147 22 HE2 HIS 3 2HE HIS 3 -9.432 -14.026 11.320 23 H HIS 4 H HIS 4 -15.335 -10.351 9.549 24 HA HIS 4 HA HIS 4 -15.637 -7.921 8.136 25 1HB HIS 4 2HB HIS 4 -18.053 -7.949 8.906 26 2HB HIS 4 1HB HIS 4 -17.537 -9.347 7.994 27 HD1 HIS 4 1HD HIS 4 -18.058 -11.564 9.018 28 HD2 HIS 4 2HD HIS 4 -18.271 -8.487 11.784 29 HE1 HIS 4 1HE HIS 4 -19.042 -12.583 11.074 30 HE2 HIS 4 2HE HIS 4 -18.795 -10.806 12.795 31 H HIS 5 H HIS 5 -14.637 -6.295 8.823 32 HA HIS 5 HA HIS 5 -15.545 -4.969 11.198 33 1HB HIS 5 2HB HIS 5 -13.605 -6.311 12.008 34 2HB HIS 5 1HB HIS 5 -12.604 -5.613 10.753 35 HD1 HIS 5 1HD HIS 5 -13.685 -5.102 14.238 36 HD2 HIS 5 2HD HIS 5 -12.022 -2.761 11.226 37 HE1 HIS 5 1HE HIS 5 -12.718 -3.132 15.379 38 HE2 HIS 5 2HE HIS 5 -11.970 -1.617 13.538 39 H HIS 6 H HIS 6 -16.431 -3.966 9.180 40 HA HIS 6 HA HIS 6 -14.873 -1.642 8.804 41 1HB HIS 6 2HB HIS 6 -14.796 -1.562 6.390 42 2HB HIS 6 1HB HIS 6 -14.024 -3.041 6.909 43 HD1 HIS 6 1HD HIS 6 -15.995 -1.769 4.351 44 HD2 HIS 6 2HD HIS 6 -16.198 -5.278 6.583 45 HE1 HIS 6 1HE HIS 6 -17.283 -3.406 2.934 46 HE2 HIS 6 2HE HIS 6 -17.605 -5.403 4.419 47 H HIS 7 H HIS 7 -16.266 -0.491 9.784 48 HA HIS 7 HA HIS 7 -18.862 -0.056 8.509 49 1HB HIS 7 2HB HIS 7 -19.167 -1.634 10.410 50 2HB HIS 7 1HB HIS 7 -18.426 -0.460 11.484 51 HD1 HIS 7 1HD HIS 7 -20.043 0.968 12.713 52 HD2 HIS 7 2HD HIS 7 -21.669 -0.568 9.224 53 HE1 HIS 7 1HE HIS 7 -22.453 1.688 12.722 54 HE2 HIS 7 2HE HIS 7 -23.452 0.504 10.725 55 H HIS 8 H HIS 8 -16.155 1.191 8.903 56 HA HIS 8 HA HIS 8 -17.028 3.912 9.178 57 1HB HIS 8 2HB HIS 8 -16.509 3.325 11.567 58 2HB HIS 8 1HB HIS 8 -14.894 2.847 11.075 59 HD1 HIS 8 1HD HIS 8 -16.937 5.827 11.966 60 HD2 HIS 8 2HD HIS 8 -13.179 5.048 10.363 61 HE1 HIS 8 1HE HIS 8 -15.679 7.966 12.132 62 HE2 HIS 8 2HE HIS 8 -13.555 7.561 10.913 63 H LEU 9 H LEU 9 -14.349 1.644 9.012 64 HA LEU 9 HA LEU 9 -13.483 3.086 6.678 65 1HB LEU 9 2HB LEU 9 -11.125 2.409 7.236 66 2HB LEU 9 1HB LEU 9 -11.824 3.679 8.195 67 HG LEU 9 HG LEU 9 -12.065 2.134 10.088 68 1HD1 LEU 9 1HD1 LEU 9 -10.676 0.118 8.314 69 2HD1 LEU 9 2HD1 LEU 9 -12.359 0.031 8.825 70 3HD1 LEU 9 3HD1 LEU 9 -11.071 -0.081 10.022 71 1HD2 LEU 9 1HD2 LEU 9 -9.429 2.177 8.757 72 2HD2 LEU 9 2HD2 LEU 9 -9.676 1.889 10.498 73 3HD2 LEU 9 3HD2 LEU 9 -10.101 3.456 9.759 74 H GLU 10 H GLU 10 -11.506 1.210 5.872 75 HA GLU 10 HA GLU 10 -13.419 -0.876 5.079 76 1HB GLU 10 2HB GLU 10 -11.345 0.547 3.490 77 2HB GLU 10 1HB GLU 10 -12.233 -0.869 2.926 78 1HG GLU 10 2HG GLU 10 -13.468 1.575 3.962 79 2HG GLU 10 1HG GLU 10 -13.133 1.373 2.229 80 H GLU 11 H GLU 11 -12.574 -2.866 4.200 81 HA GLU 11 HA GLU 11 -9.937 -3.556 4.943 82 1HB GLU 11 2HB GLU 11 -11.359 -4.853 6.343 83 2HB GLU 11 1HB GLU 11 -12.489 -5.135 5.020 84 1HG GLU 11 2HG GLU 11 -10.979 -6.466 3.869 85 2HG GLU 11 1HG GLU 11 -9.642 -6.146 4.899 86 H PHE 12 H PHE 12 -8.863 -3.902 3.247 87 HA PHE 12 HA PHE 12 -10.211 -4.454 0.719 88 1HB PHE 12 2HB PHE 12 -7.696 -3.153 1.526 89 2HB PHE 12 1HB PHE 12 -8.047 -3.822 -0.068 90 HD1 PHE 12 1HD PHE 12 -9.685 -2.603 -1.514 91 HD2 PHE 12 2HD PHE 12 -8.760 -1.136 2.381 92 HE1 PHE 12 1HE PHE 12 -10.783 -0.471 -2.049 93 HE2 PHE 12 2HE PHE 12 -9.852 0.980 1.844 94 HZ PHE 12 HZ PHE 12 -10.869 1.322 -0.370 95 H THR 13 H THR 13 -9.495 -6.310 -0.385 96 HA THR 13 HA THR 13 -7.391 -7.748 1.014 97 HB THR 13 HB THR 13 -9.046 -8.759 -1.314 98 HG1 THR 13 1HG THR 13 -9.616 -9.307 1.404 99 1HG2 THR 13 1HG2 THR 13 -8.505 -10.931 -0.298 100 2HG2 THR 13 2HG2 THR 13 -7.660 -10.052 1.001 101 3HG2 THR 13 3HG2 THR 13 -7.051 -9.972 -0.641 102 H ALA 14 H ALA 14 -5.472 -8.311 -0.211 103 HA ALA 14 HA ALA 14 -4.511 -6.148 -1.648 104 1HB ALA 14 1HB ALA 14 -2.509 -7.354 -2.051 105 2HB ALA 14 2HB ALA 14 -3.308 -8.901 -1.736 106 3HB ALA 14 3HB ALA 14 -3.099 -7.717 -0.434 107 H GLU 15 H GLU 15 -5.612 -9.192 -3.076 108 HA GLU 15 HA GLU 15 -4.992 -8.428 -5.739 109 1HB GLU 15 2HB GLU 15 -6.960 -10.430 -4.687 110 2HB GLU 15 1HB GLU 15 -6.572 -10.275 -6.389 111 1HG GLU 15 2HG GLU 15 -4.206 -10.778 -5.838 112 2HG GLU 15 1HG GLU 15 -4.663 -11.014 -4.160 113 H GLN 16 H GLN 16 -7.695 -7.883 -3.714 114 HA GLN 16 HA GLN 16 -9.373 -6.829 -5.778 115 1HB GLN 16 2HB GLN 16 -9.546 -6.866 -2.781 116 2HB GLN 16 1HB GLN 16 -10.682 -5.935 -3.741 117 1HG GLN 16 2HG GLN 16 -11.628 -8.086 -3.132 118 2HG GLN 16 1HG GLN 16 -11.385 -7.927 -4.870 119 1HE2 GLN 16 1HE2 GLN 16 -10.463 -9.586 -1.997 120 2HE2 GLN 16 2HE2 GLN 16 -9.589 -10.863 -2.757 121 H LEU 17 H LEU 17 -7.149 -5.599 -3.433 122 HA LEU 17 HA LEU 17 -7.642 -2.848 -3.750 123 1HB LEU 17 2HB LEU 17 -6.367 -3.824 -1.897 124 2HB LEU 17 1HB LEU 17 -5.089 -4.247 -3.021 125 HG LEU 17 HG LEU 17 -4.889 -1.802 -3.545 126 1HD1 LEU 17 1HD1 LEU 17 -5.665 -0.251 -1.862 127 2HD1 LEU 17 2HD1 LEU 17 -6.565 -1.568 -1.097 128 3HD1 LEU 17 3HD1 LEU 17 -6.996 -1.034 -2.731 129 1HD2 LEU 17 1HD2 LEU 17 -3.318 -2.955 -2.210 130 2HD2 LEU 17 2HD2 LEU 17 -4.323 -2.696 -0.758 131 3HD2 LEU 17 3HD2 LEU 17 -3.587 -1.313 -1.604 132 H SER 18 H SER 18 -5.800 -5.189 -5.513 133 HA SER 18 HA SER 18 -4.047 -3.589 -6.990 134 1HB SER 18 2HB SER 18 -3.951 -6.092 -6.774 135 2HB SER 18 1HB SER 18 -5.351 -6.194 -7.822 136 HG SER 18 HG SER 18 -4.177 -5.554 -9.522 137 H GLN 19 H GLN 19 -7.324 -3.688 -7.072 138 HA GLN 19 HA GLN 19 -7.603 -3.037 -9.918 139 1HB GLN 19 2HB GLN 19 -9.754 -3.417 -7.829 140 2HB GLN 19 1HB GLN 19 -9.962 -3.413 -9.580 141 1HG GLN 19 2HG GLN 19 -8.591 -5.470 -9.734 142 2HG GLN 19 1HG GLN 19 -8.396 -5.431 -8.001 143 1HE2 GLN 19 1HE2 GLN 19 -9.299 -7.437 -7.754 144 2HE2 GLN 19 2HE2 GLN 19 -10.999 -7.709 -7.898 145 H TYR 20 H TYR 20 -7.358 -1.612 -6.858 146 HA TYR 20 HA TYR 20 -8.728 0.874 -7.519 147 1HB TYR 20 2HB TYR 20 -7.409 -0.223 -5.045 148 2HB TYR 20 1HB TYR 20 -7.957 1.437 -5.106 149 HD1 TYR 20 1HD TYR 20 -8.995 -2.091 -5.050 150 HD2 TYR 20 2HD TYR 20 -10.334 1.942 -5.022 151 HE1 TYR 20 1HE TYR 20 -11.229 -2.846 -4.364 152 HE2 TYR 20 2HE TYR 20 -12.576 1.202 -4.337 153 HH TYR 20 HH TYR 20 -13.137 -1.983 -3.260 154 H ASN 21 H ASN 21 -6.490 0.073 -9.015 155 HA ASN 21 HA ASN 21 -4.171 1.534 -8.195 156 1HB ASN 21 2HB ASN 21 -3.221 0.828 -10.346 157 2HB ASN 21 1HB ASN 21 -3.934 -0.528 -9.487 158 1HD2 ASN 21 1HD2 ASN 21 -3.349 -0.366 -12.250 159 2HD2 ASN 21 2HD2 ASN 21 -4.821 -0.561 -13.119 160 H GLY 22 H GLY 22 -7.044 2.360 -9.693 161 1HA GLY 22 2HA GLY 22 -7.687 4.635 -9.921 162 2HA GLY 22 1HA GLY 22 -5.993 5.062 -10.037 163 H THR 23 H THR 23 -5.873 2.838 -12.197 164 HA THR 23 HA THR 23 -6.421 4.789 -14.258 165 HB THR 23 HB THR 23 -4.337 3.454 -14.188 166 HG1 THR 23 1HG THR 23 -5.839 4.102 -16.305 167 1HG2 THR 23 1HG2 THR 23 -6.123 1.216 -15.137 168 2HG2 THR 23 2HG2 THR 23 -5.230 1.278 -13.619 169 3HG2 THR 23 3HG2 THR 23 -4.360 1.167 -15.149 170 H ASP 24 H ASP 24 -8.142 2.303 -12.846 171 HA ASP 24 HA ASP 24 -9.498 1.612 -15.270 172 1HB ASP 24 2HB ASP 24 -9.155 -0.129 -13.460 173 2HB ASP 24 1HB ASP 24 -10.245 0.795 -12.464 174 H GLU 25 H GLU 25 -10.364 3.664 -15.836 175 HA GLU 25 HA GLU 25 -11.879 5.330 -15.970 176 1HB GLU 25 2HB GLU 25 -13.508 3.448 -14.287 177 2HB GLU 25 1HB GLU 25 -14.146 4.900 -15.051 178 1HG GLU 25 2HG GLU 25 -12.925 2.554 -16.456 179 2HG GLU 25 1HG GLU 25 -14.640 2.960 -16.335 180 H SER 26 H SER 26 -10.081 5.102 -13.870 181 HA SER 26 HA SER 26 -9.278 6.224 -12.129 182 1HB SER 26 2HB SER 26 -9.755 8.208 -13.428 183 2HB SER 26 1HB SER 26 -11.420 8.213 -12.851 184 HG SER 26 HG SER 26 -10.782 9.192 -11.135 185 H LYS 27 H LYS 27 -10.090 4.352 -11.065 186 HA LYS 27 HA LYS 27 -12.230 4.661 -9.156 187 1HB LYS 27 2HB LYS 27 -9.876 2.734 -9.086 188 2HB LYS 27 1HB LYS 27 -11.262 2.662 -8.020 189 1HG LYS 27 2HG LYS 27 -12.663 2.234 -10.132 190 2HG LYS 27 1HG LYS 27 -11.127 2.085 -10.956 191 1HD LYS 27 2HD LYS 27 -10.423 0.289 -9.520 192 2HD LYS 27 1HD LYS 27 -11.871 0.459 -8.536 193 1HE LYS 27 2HE LYS 27 -11.811 -0.335 -11.445 194 2HE LYS 27 1HE LYS 27 -11.997 -1.446 -10.088 195 1HZ LYS 27 1HZ LYS 27 -14.083 -0.306 -9.529 196 2HZ LYS 27 2HZ LYS 27 -14.127 -0.898 -11.102 197 3HZ LYS 27 3HZ LYS 27 -13.865 0.736 -10.832 198 HA PRO 28 HA PRO 28 -9.857 6.847 -6.025 199 1HB PRO 28 2HB PRO 28 -10.649 4.899 -3.949 200 2HB PRO 28 1HB PRO 28 -10.980 6.629 -4.037 201 1HG PRO 28 2HG PRO 28 -12.883 4.814 -4.415 202 2HG PRO 28 1HG PRO 28 -12.878 6.343 -5.314 203 1HD PRO 28 2HD PRO 28 -12.058 3.605 -6.200 204 2HD PRO 28 1HD PRO 28 -12.929 4.862 -7.104 205 H ILE 29 H ILE 29 -7.794 6.720 -5.459 206 HA ILE 29 HA ILE 29 -6.484 4.150 -5.881 207 HB ILE 29 HB ILE 29 -5.102 6.848 -5.566 208 1HG1 ILE 29 2HG1 ILE 29 -4.714 6.724 -8.048 209 2HG1 ILE 29 1HG1 ILE 29 -5.925 5.445 -8.118 210 1HG2 ILE 29 1HG2 ILE 29 -4.140 4.224 -6.696 211 2HG2 ILE 29 2HG2 ILE 29 -3.692 4.915 -5.142 212 3HG2 ILE 29 3HG2 ILE 29 -3.205 5.719 -6.639 213 1HD1 ILE 29 1HD1 ILE 29 -6.344 8.297 -7.271 214 2HD1 ILE 29 2HD1 ILE 29 -7.595 7.049 -7.325 215 3HD1 ILE 29 3HD1 ILE 29 -6.803 7.580 -8.813 216 H TYR 30 H TYR 30 -5.294 3.118 -4.281 217 HA TYR 30 HA TYR 30 -5.070 4.429 -1.737 218 1HB TYR 30 2HB TYR 30 -6.312 1.706 -2.206 219 2HB TYR 30 1HB TYR 30 -5.881 2.372 -0.639 220 HD1 TYR 30 1HD TYR 30 -7.077 4.560 0.033 221 HD2 TYR 30 2HD TYR 30 -8.439 1.996 -3.059 222 HE1 TYR 30 1HE TYR 30 -9.331 5.536 0.220 223 HE2 TYR 30 2HE TYR 30 -10.686 2.959 -2.880 224 HH TYR 30 HH TYR 30 -11.289 5.812 -1.178 225 H VAL 31 H VAL 31 -3.287 3.753 -0.748 226 HA VAL 31 HA VAL 31 -1.810 1.656 -2.104 227 HB VAL 31 HB VAL 31 -0.690 3.761 -2.669 228 1HG1 VAL 31 1HG1 VAL 31 -0.474 4.295 0.265 229 2HG1 VAL 31 2HG1 VAL 31 -1.543 5.105 -0.904 230 3HG1 VAL 31 3HG1 VAL 31 0.211 5.228 -1.086 231 1HG2 VAL 31 1HG2 VAL 31 0.740 2.217 -0.572 232 2HG2 VAL 31 2HG2 VAL 31 1.477 3.386 -1.682 233 3HG2 VAL 31 3HG2 VAL 31 0.674 1.910 -2.321 234 H ALA 32 H ALA 32 -1.061 0.117 -0.837 235 HA ALA 32 HA ALA 32 -1.633 0.507 1.989 236 1HB ALA 32 1HB ALA 32 -1.543 -2.066 0.447 237 2HB ALA 32 2HB ALA 32 -2.999 -1.180 0.851 238 3HB ALA 32 3HB ALA 32 -1.999 -1.864 2.141 239 H ILE 33 H ILE 33 -0.170 0.021 3.429 240 HA ILE 33 HA ILE 33 2.378 -1.087 2.528 241 HB ILE 33 HB ILE 33 2.029 1.405 4.206 242 1HG1 ILE 33 2HG1 ILE 33 3.331 1.009 1.509 243 2HG1 ILE 33 1HG1 ILE 33 1.825 1.856 1.813 244 1HG2 ILE 33 1HG2 ILE 33 4.528 -0.107 3.541 245 2HG2 ILE 33 2HG2 ILE 33 3.791 0.081 5.132 246 3HG2 ILE 33 3HG2 ILE 33 4.476 1.486 4.291 247 1HD1 ILE 33 1HD1 ILE 33 3.656 3.389 1.455 248 2HD1 ILE 33 2HD1 ILE 33 4.525 2.647 2.832 249 3HD1 ILE 33 3HD1 ILE 33 3.023 3.530 3.106 250 H LYS 34 H LYS 34 2.437 -2.914 3.678 251 HA LYS 34 HA LYS 34 2.769 -4.286 5.505 252 1HB LYS 34 2HB LYS 34 3.886 -1.943 6.251 253 2HB LYS 34 1HB LYS 34 2.553 -1.925 7.375 254 1HG LYS 34 2HG LYS 34 4.650 -4.095 7.220 255 2HG LYS 34 1HG LYS 34 4.712 -2.729 8.314 256 1HD LYS 34 2HD LYS 34 2.649 -3.532 9.393 257 2HD LYS 34 1HD LYS 34 2.612 -4.898 8.276 258 1HE LYS 34 2HE LYS 34 4.773 -5.664 9.125 259 2HE LYS 34 1HE LYS 34 4.839 -4.280 10.211 260 1HZ LYS 34 1HZ LYS 34 2.911 -5.132 11.371 261 2HZ LYS 34 2HZ LYS 34 4.113 -6.310 11.314 262 3HZ LYS 34 3HZ LYS 34 2.793 -6.425 10.294 263 H GLY 35 H GLY 35 0.132 -3.388 4.450 264 1HA GLY 35 2HA GLY 35 -1.942 -4.367 4.957 265 2HA GLY 35 1HA GLY 35 -1.509 -4.485 6.610 266 H ARG 36 H ARG 36 -0.614 -1.475 5.699 267 HA ARG 36 HA ARG 36 -2.972 -0.259 6.957 268 1HB ARG 36 2HB ARG 36 -0.256 0.921 6.301 269 2HB ARG 36 1HB ARG 36 -1.454 1.572 7.415 270 1HG ARG 36 2HG ARG 36 -1.051 -0.103 9.014 271 2HG ARG 36 1HG ARG 36 -0.205 -1.120 7.852 272 1HD ARG 36 2HD ARG 36 1.441 -0.188 9.296 273 2HD ARG 36 1HD ARG 36 1.576 0.623 7.748 274 HE ARG 36 HE ARG 36 -0.042 2.231 9.239 275 1HH1 ARG 36 1HH1 ARG 36 3.344 1.030 9.373 276 2HH1 ARG 36 2HH1 ARG 36 3.831 2.181 10.500 277 1HH2 ARG 36 1HH2 ARG 36 0.730 3.824 10.860 278 2HH2 ARG 36 2HH2 ARG 36 2.355 3.763 11.367 279 H VAL 37 H VAL 37 -4.449 0.457 5.408 280 HA VAL 37 HA VAL 37 -3.437 1.124 2.761 281 HB VAL 37 HB VAL 37 -6.291 0.809 3.753 282 1HG1 VAL 37 1HG1 VAL 37 -5.258 1.328 0.967 283 2HG1 VAL 37 2HG1 VAL 37 -6.149 2.489 1.951 284 3HG1 VAL 37 3HG1 VAL 37 -6.942 1.012 1.388 285 1HG2 VAL 37 1HG2 VAL 37 -5.033 -1.268 3.546 286 2HG2 VAL 37 2HG2 VAL 37 -4.624 -0.839 1.882 287 3HG2 VAL 37 3HG2 VAL 37 -6.299 -1.153 2.322 288 H PHE 38 H PHE 38 -2.930 3.060 2.280 289 HA PHE 38 HA PHE 38 -4.064 5.316 3.774 290 1HB PHE 38 2HB PHE 38 -1.696 5.036 1.996 291 2HB PHE 38 1HB PHE 38 -2.140 6.549 2.777 292 HD1 PHE 38 1HD PHE 38 -0.689 3.188 3.237 293 HD2 PHE 38 2HD PHE 38 -1.630 6.878 5.139 294 HE1 PHE 38 1HE PHE 38 0.736 2.581 5.125 295 HE2 PHE 38 2HE PHE 38 -0.205 6.254 7.028 296 HZ PHE 38 HZ PHE 38 0.985 4.109 7.023 297 H ASP 39 H ASP 39 -5.090 6.939 2.621 298 HA ASP 39 HA ASP 39 -5.893 6.295 -0.113 299 1HB ASP 39 2HB ASP 39 -7.592 7.172 1.471 300 2HB ASP 39 1HB ASP 39 -6.671 8.667 1.610 301 H VAL 40 H VAL 40 -5.128 7.246 -1.876 302 HA VAL 40 HA VAL 40 -3.382 9.567 -1.524 303 HB VAL 40 HB VAL 40 -1.989 8.671 -3.478 304 1HG1 VAL 40 1HG1 VAL 40 -1.165 8.728 -1.213 305 2HG1 VAL 40 2HG1 VAL 40 -0.629 7.275 -2.056 306 3HG1 VAL 40 3HG1 VAL 40 -1.943 7.178 -0.868 307 1HG2 VAL 40 1HG2 VAL 40 -3.512 6.943 -4.213 308 2HG2 VAL 40 2HG2 VAL 40 -3.346 6.112 -2.667 309 3HG2 VAL 40 3HG2 VAL 40 -1.960 6.247 -3.752 310 H THR 41 H THR 41 -6.187 9.450 -2.324 311 HA THR 41 HA THR 41 -6.214 9.954 -5.129 312 HB THR 41 HB THR 41 -8.483 10.984 -4.727 313 HG1 THR 41 1HG THR 41 -7.946 10.224 -2.017 314 1HG2 THR 41 1HG2 THR 41 -8.257 8.615 -5.236 315 2HG2 THR 41 2HG2 THR 41 -9.572 8.868 -4.084 316 3HG2 THR 41 3HG2 THR 41 -8.016 8.251 -3.526 317 H THR 42 H THR 42 -5.394 11.787 -2.379 318 HA THR 42 HA THR 42 -5.586 14.388 -3.434 319 HB THR 42 HB THR 42 -3.910 14.823 -1.556 320 HG1 THR 42 1HG THR 42 -3.657 12.970 -0.130 321 1HG2 THR 42 1HG2 THR 42 -6.347 15.061 -1.248 322 2HG2 THR 42 2HG2 THR 42 -5.588 14.406 0.204 323 3HG2 THR 42 3HG2 THR 42 -6.466 13.338 -0.891 324 H GLY 43 H GLY 43 -3.380 11.776 -3.831 325 1HA GLY 43 2HA GLY 43 -1.529 13.517 -5.318 326 2HA GLY 43 1HA GLY 43 -0.996 12.120 -4.387 327 H LYS 44 H LYS 44 -3.846 12.358 -6.391 328 HA LYS 44 HA LYS 44 -3.551 9.815 -7.584 329 1HB LYS 44 2HB LYS 44 -5.648 11.017 -7.446 330 2HB LYS 44 1HB LYS 44 -5.046 12.159 -8.655 331 1HG LYS 44 2HG LYS 44 -4.743 10.396 -10.238 332 2HG LYS 44 1HG LYS 44 -5.234 9.205 -9.045 333 1HD LYS 44 2HD LYS 44 -7.402 10.296 -8.917 334 2HD LYS 44 1HD LYS 44 -6.776 11.421 -10.144 335 1HE LYS 44 2HE LYS 44 -6.795 8.482 -10.591 336 2HE LYS 44 1HE LYS 44 -8.170 9.519 -10.957 337 1HZ LYS 44 1HZ LYS 44 -6.713 9.157 -12.906 338 2HZ LYS 44 2HZ LYS 44 -5.414 9.863 -12.079 339 3HZ LYS 44 3HZ LYS 44 -6.766 10.778 -12.459 340 H SER 45 H SER 45 -2.578 12.992 -8.766 341 HA SER 45 HA SER 45 -1.846 12.151 -11.332 342 1HB SER 45 2HB SER 45 -0.715 14.420 -9.685 343 2HB SER 45 1HB SER 45 -0.606 14.251 -11.440 344 HG SER 45 HG SER 45 -2.841 14.359 -11.554 345 H PHE 46 H PHE 46 -0.285 11.786 -8.288 346 HA PHE 46 HA PHE 46 2.304 11.153 -9.443 347 1HB PHE 46 2HB PHE 46 1.347 11.155 -6.571 348 2HB PHE 46 1HB PHE 46 2.998 10.860 -7.076 349 HD1 PHE 46 1HD PHE 46 4.390 12.680 -7.868 350 HD2 PHE 46 2HD PHE 46 0.396 13.363 -6.579 351 HE1 PHE 46 1HE PHE 46 4.859 15.094 -7.705 352 HE2 PHE 46 2HE PHE 46 0.854 15.774 -6.414 353 HZ PHE 46 HZ PHE 46 3.093 16.640 -6.978 354 H TYR 47 H TYR 47 -0.431 9.582 -7.840 355 HA TYR 47 HA TYR 47 0.963 7.048 -7.978 356 1HB TYR 47 2HB TYR 47 -1.529 7.818 -6.479 357 2HB TYR 47 1HB TYR 47 -0.875 6.183 -6.521 358 HD1 TYR 47 1HD TYR 47 0.905 5.561 -5.084 359 HD2 TYR 47 2HD TYR 47 -0.090 9.659 -5.554 360 HE1 TYR 47 1HE TYR 47 2.451 6.150 -3.255 361 HE2 TYR 47 2HE TYR 47 1.433 10.256 -3.748 362 HH TYR 47 HH TYR 47 2.414 9.272 -1.873 363 H GLY 48 H GLY 48 -2.495 8.004 -8.822 364 1HA GLY 48 2HA GLY 48 -2.379 5.610 -10.535 365 2HA GLY 48 1HA GLY 48 -3.814 6.130 -9.686 366 H SER 49 H SER 49 -1.460 7.566 -11.839 367 HA SER 49 HA SER 49 -3.539 8.146 -13.820 368 1HB SER 49 2HB SER 49 -1.753 10.298 -12.665 369 2HB SER 49 1HB SER 49 -2.940 10.524 -13.956 370 HG SER 49 HG SER 49 -3.233 10.115 -11.242 371 H GLY 50 H GLY 50 -1.026 6.512 -13.422 372 1HA GLY 50 2HA GLY 50 0.704 5.858 -14.758 373 2HA GLY 50 1HA GLY 50 0.357 7.207 -15.843 374 H GLY 51 H GLY 51 1.046 7.097 -12.411 375 1HA GLY 51 2HA GLY 51 2.998 9.293 -12.771 376 2HA GLY 51 1HA GLY 51 2.236 8.806 -11.247 377 H ASP 52 H ASP 52 4.659 9.240 -10.956 378 HA ASP 52 HA ASP 52 6.297 7.063 -11.794 379 1HB ASP 52 2HB ASP 52 8.125 8.176 -10.798 380 2HB ASP 52 1HB ASP 52 7.165 9.382 -11.608 381 H TYR 53 H TYR 53 4.217 7.597 -9.222 382 HA TYR 53 HA TYR 53 5.464 5.502 -7.569 383 1HB TYR 53 2HB TYR 53 3.131 7.345 -6.994 384 2HB TYR 53 1HB TYR 53 3.772 6.150 -5.884 385 HD1 TYR 53 1HD TYR 53 4.223 9.399 -7.382 386 HD2 TYR 53 2HD TYR 53 5.929 6.539 -4.765 387 HE1 TYR 53 1HE TYR 53 5.710 11.124 -6.500 388 HE2 TYR 53 2HE TYR 53 7.446 8.255 -3.858 389 HH TYR 53 HH TYR 53 8.410 10.419 -4.595 390 H SER 54 H SER 54 4.142 5.059 -10.143 391 HA SER 54 HA SER 54 1.472 4.257 -9.943 392 1HB SER 54 2HB SER 54 2.707 4.676 -12.078 393 2HB SER 54 1HB SER 54 3.557 3.153 -11.789 394 HG SER 54 HG SER 54 1.925 2.112 -12.539 395 H MET 55 H MET 55 4.383 2.579 -8.928 396 HA MET 55 HA MET 55 3.222 -0.047 -9.050 397 1HB MET 55 2HB MET 55 5.656 0.859 -7.513 398 2HB MET 55 1HB MET 55 5.205 -0.795 -7.879 399 1HG MET 55 2HG MET 55 6.125 1.311 -9.833 400 2HG MET 55 1HG MET 55 6.940 -0.151 -9.335 401 1HE MET 55 1HE MET 55 6.087 -0.892 -13.057 402 2HE MET 55 2HE MET 55 7.364 -0.754 -11.850 403 3HE MET 55 3HE MET 55 6.483 0.683 -12.371 404 H PHE 56 H PHE 56 3.066 2.539 -6.945 405 HA PHE 56 HA PHE 56 2.508 1.037 -4.525 406 1HB PHE 56 2HB PHE 56 2.456 3.996 -5.159 407 2HB PHE 56 1HB PHE 56 2.124 3.304 -3.581 408 HD1 PHE 56 1HD PHE 56 3.810 3.826 -2.140 409 HD2 PHE 56 2HD PHE 56 4.839 2.723 -6.111 410 HE1 PHE 56 1HE PHE 56 6.187 3.998 -1.572 411 HE2 PHE 56 2HE PHE 56 7.218 2.887 -5.542 412 HZ PHE 56 HZ PHE 56 7.898 3.531 -3.273 413 H ALA 57 H ALA 57 0.921 2.965 -6.922 414 HA ALA 57 HA ALA 57 -1.605 3.339 -5.866 415 1HB ALA 57 1HB ALA 57 -0.899 2.890 -8.756 416 2HB ALA 57 2HB ALA 57 -0.797 4.426 -7.895 417 3HB ALA 57 3HB ALA 57 -2.364 3.662 -8.153 418 H GLY 58 H GLY 58 -2.885 1.798 -5.015 419 1HA GLY 58 2HA GLY 58 -4.382 0.098 -5.012 420 2HA GLY 58 1HA GLY 58 -4.046 -0.165 -6.713 421 H LYS 59 H LYS 59 -1.522 -0.234 -4.198 422 HA LYS 59 HA LYS 59 -1.504 -3.082 -4.351 423 1HB LYS 59 2HB LYS 59 -0.096 -2.199 -6.177 424 2HB LYS 59 1HB LYS 59 0.803 -1.259 -4.992 425 1HG LYS 59 2HG LYS 59 2.036 -3.151 -5.454 426 2HG LYS 59 1HG LYS 59 1.322 -3.407 -3.853 427 1HD LYS 59 2HD LYS 59 -0.573 -4.552 -5.417 428 2HD LYS 59 1HD LYS 59 0.897 -4.684 -6.404 429 1HE LYS 59 2HE LYS 59 2.073 -5.710 -4.584 430 2HE LYS 59 1HE LYS 59 0.539 -5.532 -3.675 431 1HZ LYS 59 1HZ LYS 59 0.823 -7.117 -6.173 432 2HZ LYS 59 2HZ LYS 59 -0.540 -7.080 -5.197 433 3HZ LYS 59 3HZ LYS 59 0.856 -7.832 -4.663 434 H ASP 60 H ASP 60 -0.639 -3.896 -2.413 435 HA ASP 60 HA ASP 60 0.321 -1.999 -0.437 436 1HB ASP 60 2HB ASP 60 -0.945 -4.103 0.284 437 2HB ASP 60 1HB ASP 60 0.414 -5.032 -0.340 438 H ALA 61 H ALA 61 2.301 -1.341 -0.519 439 HA ALA 61 HA ALA 61 4.138 -2.732 -2.354 440 1HB ALA 61 1HB ALA 61 4.185 0.136 -1.448 441 2HB ALA 61 2HB ALA 61 3.498 -0.454 -2.959 442 3HB ALA 61 3HB ALA 61 5.232 -0.595 -2.665 443 H SER 62 H SER 62 3.790 -3.289 0.608 444 HA SER 62 HA SER 62 5.752 -2.109 2.145 445 1HB SER 62 2HB SER 62 5.546 -4.167 3.543 446 2HB SER 62 1HB SER 62 4.036 -3.320 3.182 447 HG SER 62 HG SER 62 3.438 -4.853 1.872 448 H ARG 63 H ARG 63 6.094 -5.394 0.694 449 HA ARG 63 HA ARG 63 8.752 -5.760 1.252 450 1HB ARG 63 2HB ARG 63 7.431 -7.558 0.397 451 2HB ARG 63 1HB ARG 63 7.113 -6.697 -1.098 452 1HG ARG 63 2HG ARG 63 9.452 -6.929 -1.745 453 2HG ARG 63 1HG ARG 63 9.799 -7.748 -0.220 454 1HD ARG 63 2HD ARG 63 8.413 -9.595 -0.808 455 2HD ARG 63 1HD ARG 63 7.759 -8.735 -2.201 456 HE ARG 63 HE ARG 63 10.364 -8.802 -2.759 457 1HH1 ARG 63 1HH1 ARG 63 8.197 -11.396 -1.715 458 2HH1 ARG 63 2HH1 ARG 63 8.917 -12.596 -2.698 459 1HH2 ARG 63 1HH2 ARG 63 11.353 -10.442 -4.076 460 2HH2 ARG 63 2HH2 ARG 63 10.756 -12.050 -4.076 461 H ALA 64 H ALA 64 7.360 -3.867 -1.349 462 HA ALA 64 HA ALA 64 9.761 -3.755 -2.926 463 1HB ALA 64 1HB ALA 64 7.220 -2.141 -3.075 464 2HB ALA 64 2HB ALA 64 7.652 -3.565 -4.051 465 3HB ALA 64 3HB ALA 64 8.540 -2.067 -4.236 466 H LEU 65 H LEU 65 8.135 -1.837 -0.607 467 HA LEU 65 HA LEU 65 9.660 0.509 -0.683 468 1HB LEU 65 2HB LEU 65 8.279 -0.960 1.468 469 2HB LEU 65 1HB LEU 65 8.955 0.633 1.725 470 HG LEU 65 HG LEU 65 6.618 -0.197 0.020 471 1HD1 LEU 65 1HD1 LEU 65 6.189 -0.030 2.359 472 2HD1 LEU 65 2HD1 LEU 65 5.410 1.296 1.501 473 3HD1 LEU 65 3HD1 LEU 65 6.871 1.587 2.430 474 1HD2 LEU 65 1HD2 LEU 65 6.355 2.135 -0.532 475 2HD2 LEU 65 2HD2 LEU 65 7.897 1.520 -1.154 476 3HD2 LEU 65 3HD2 LEU 65 7.850 2.504 0.323 477 H GLY 66 H GLY 66 9.972 -2.462 1.188 478 1HA GLY 66 2HA GLY 66 12.266 -1.588 2.596 479 2HA GLY 66 1HA GLY 66 11.660 -3.230 2.564 480 H LYS 67 H LYS 67 11.799 -3.331 -0.381 481 HA LYS 67 HA LYS 67 14.616 -4.046 -0.534 482 1HB LYS 67 2HB LYS 67 12.618 -4.172 -2.781 483 2HB LYS 67 1HB LYS 67 14.118 -5.053 -2.628 484 1HG LYS 67 2HG LYS 67 11.618 -5.458 -1.020 485 2HG LYS 67 1HG LYS 67 12.155 -6.501 -2.308 486 1HD LYS 67 2HD LYS 67 13.335 -6.101 0.443 487 2HD LYS 67 1HD LYS 67 12.635 -7.559 -0.251 488 1HE LYS 67 2HE LYS 67 14.652 -7.308 -1.972 489 2HE LYS 67 1HE LYS 67 15.104 -6.208 -0.635 490 1HZ LYS 67 1HZ LYS 67 16.016 -8.550 -0.493 491 2HZ LYS 67 2HZ LYS 67 14.485 -8.966 0.081 492 3HZ LYS 67 3HZ LYS 67 15.414 -7.754 0.851 493 H MET 68 H MET 68 12.476 -1.576 -1.618 494 HA MET 68 HA MET 68 12.779 0.503 -2.424 495 1HB MET 68 2HB MET 68 15.723 -0.198 -2.668 496 2HB MET 68 1HB MET 68 15.059 1.403 -2.971 497 1HG MET 68 2HG MET 68 14.340 1.485 -0.607 498 2HG MET 68 1HG MET 68 15.062 -0.093 -0.373 499 1HE MET 68 1HE MET 68 17.716 0.072 -2.130 500 2HE MET 68 2HE MET 68 17.657 -0.613 -0.509 501 3HE MET 68 3HE MET 68 18.876 0.598 -0.912 502 H SER 69 H SER 69 12.156 -1.843 -3.749 503 HA SER 69 HA SER 69 13.045 -1.450 -6.549 504 1HB SER 69 2HB SER 69 11.760 -3.818 -5.157 505 2HB SER 69 1HB SER 69 12.368 -3.737 -6.807 506 HG SER 69 HG SER 69 14.408 -3.053 -5.577 507 H LYS 70 H LYS 70 11.658 -1.543 -8.131 508 HA LYS 70 HA LYS 70 8.972 -0.537 -7.481 509 1HB LYS 70 2HB LYS 70 10.833 -0.032 -9.776 510 2HB LYS 70 1HB LYS 70 9.197 0.605 -9.644 511 1HG LYS 70 2HG LYS 70 9.730 2.032 -7.947 512 2HG LYS 70 1HG LYS 70 11.137 1.094 -7.445 513 1HD LYS 70 2HD LYS 70 12.344 1.766 -9.355 514 2HD LYS 70 1HD LYS 70 10.932 2.515 -10.059 515 1HE LYS 70 2HE LYS 70 12.485 4.196 -9.100 516 2HE LYS 70 1HE LYS 70 10.954 4.198 -8.227 517 1HZ LYS 70 1HZ LYS 70 11.974 2.839 -6.527 518 2HZ LYS 70 2HZ LYS 70 12.834 4.268 -6.722 519 3HZ LYS 70 3HZ LYS 70 13.441 2.824 -7.362 520 H ASN 71 H ASN 71 10.844 -2.925 -9.056 521 HA ASN 71 HA ASN 71 9.129 -3.751 -11.051 522 1HB ASN 71 2HB ASN 71 10.305 -6.003 -10.786 523 2HB ASN 71 1HB ASN 71 11.340 -4.614 -11.088 524 1HD2 ASN 71 1HD2 ASN 71 10.558 -7.142 -8.883 525 2HD2 ASN 71 2HD2 ASN 71 11.765 -6.714 -7.715 526 H GLU 72 H GLU 72 7.285 -4.647 -11.134 527 HA GLU 72 HA GLU 72 5.499 -4.656 -9.002 528 1HB GLU 72 2HB GLU 72 5.281 -6.045 -11.642 529 2HB GLU 72 1HB GLU 72 3.953 -5.713 -10.554 530 1HG GLU 72 2HG GLU 72 4.205 -3.361 -10.847 531 2HG GLU 72 1HG GLU 72 5.679 -3.589 -11.786 532 H GLU 73 H GLU 73 7.492 -7.187 -10.193 533 HA GLU 73 HA GLU 73 5.973 -9.347 -9.106 534 1HB GLU 73 2HB GLU 73 8.877 -9.224 -9.887 535 2HB GLU 73 1HB GLU 73 8.010 -10.698 -9.484 536 1HG GLU 73 2HG GLU 73 6.541 -10.372 -11.398 537 2HG GLU 73 1HG GLU 73 7.374 -8.867 -11.786 538 H ASP 74 H ASP 74 8.126 -7.059 -7.770 539 HA ASP 74 HA ASP 74 8.641 -8.688 -5.402 540 1HB ASP 74 2HB ASP 74 10.504 -7.470 -6.501 541 2HB ASP 74 1HB ASP 74 9.677 -5.961 -6.169 542 H VAL 75 H VAL 75 7.001 -5.827 -6.555 543 HA VAL 75 HA VAL 75 6.215 -4.767 -4.033 544 HB VAL 75 HB VAL 75 4.533 -4.545 -6.543 545 1HG1 VAL 75 1HG1 VAL 75 5.064 -2.623 -4.303 546 2HG1 VAL 75 2HG1 VAL 75 3.647 -3.642 -4.462 547 3HG1 VAL 75 3HG1 VAL 75 3.954 -2.359 -5.648 548 1HG2 VAL 75 1HG2 VAL 75 6.845 -4.050 -7.210 549 2HG2 VAL 75 2HG2 VAL 75 6.960 -2.859 -5.911 550 3HG2 VAL 75 3HG2 VAL 75 5.832 -2.611 -7.236 551 H SER 76 H SER 76 4.942 -5.651 -2.575 552 HA SER 76 HA SER 76 2.806 -7.446 -3.198 553 1HB SER 76 2HB SER 76 5.001 -8.726 -3.627 554 2HB SER 76 1HB SER 76 5.293 -8.569 -1.915 555 HG SER 76 HG SER 76 3.344 -9.993 -3.261 556 HA PRO 77 HA PRO 77 1.881 -6.115 1.036 557 1HB PRO 77 2HB PRO 77 0.031 -7.932 1.724 558 2HB PRO 77 1HB PRO 77 -0.304 -6.718 0.492 559 1HG PRO 77 2HG PRO 77 0.525 -9.577 0.155 560 2HG PRO 77 1HG PRO 77 -0.756 -8.684 -0.685 561 1HD PRO 77 2HD PRO 77 1.664 -9.104 -1.794 562 2HD PRO 77 1HD PRO 77 0.723 -7.632 -2.101 563 H SER 78 H SER 78 4.066 -8.298 0.627 564 HA SER 78 HA SER 78 3.788 -9.653 3.252 565 1HB SER 78 2HB SER 78 3.812 -11.187 1.265 566 2HB SER 78 1HB SER 78 5.385 -10.462 0.872 567 HG SER 78 HG SER 78 6.176 -11.929 2.067 568 H LEU 79 H LEU 79 5.098 -9.491 4.677 569 HA LEU 79 HA LEU 79 7.403 -7.737 4.294 570 1HB LEU 79 2HB LEU 79 5.621 -8.287 6.613 571 2HB LEU 79 1HB LEU 79 7.226 -7.643 6.840 572 HG LEU 79 HG LEU 79 5.559 -5.912 6.946 573 1HD1 LEU 79 1HD1 LEU 79 7.181 -5.684 4.414 574 2HD1 LEU 79 2HD1 LEU 79 7.738 -5.364 6.055 575 3HD1 LEU 79 3HD1 LEU 79 6.483 -4.355 5.351 576 1HD2 LEU 79 1HD2 LEU 79 4.369 -5.235 4.931 577 2HD2 LEU 79 2HD2 LEU 79 3.793 -6.789 5.586 578 3HD2 LEU 79 3HD2 LEU 79 4.854 -6.737 4.157 579 H GLU 80 H GLU 80 6.324 -10.836 5.534 580 HA GLU 80 HA GLU 80 8.921 -11.130 6.653 581 1HB GLU 80 2HB GLU 80 7.129 -11.776 8.017 582 2HB GLU 80 1HB GLU 80 6.605 -13.023 6.881 583 1HG GLU 80 2HG GLU 80 8.652 -14.214 7.235 584 2HG GLU 80 1HG GLU 80 9.269 -12.909 8.243 585 H GLY 81 H GLY 81 9.935 -10.991 4.867 586 1HA GLY 81 2HA GLY 81 10.886 -13.529 4.232 587 2HA GLY 81 1HA GLY 81 10.241 -12.714 2.789 588 H LEU 82 H LEU 82 11.438 -10.818 5.345 589 HA LEU 82 HA LEU 82 14.047 -10.548 4.411 590 1HB LEU 82 2HB LEU 82 13.735 -8.014 4.135 591 2HB LEU 82 1HB LEU 82 13.370 -8.997 2.767 592 HG LEU 82 HG LEU 82 10.889 -8.733 3.486 593 1HD1 LEU 82 1HD1 LEU 82 11.327 -7.913 5.732 594 2HD1 LEU 82 2HD1 LEU 82 10.416 -6.774 4.678 595 3HD1 LEU 82 3HD1 LEU 82 12.149 -6.525 4.957 596 1HD2 LEU 82 1HD2 LEU 82 11.845 -7.589 1.586 597 2HD2 LEU 82 2HD2 LEU 82 12.427 -6.320 2.694 598 3HD2 LEU 82 3HD2 LEU 82 10.705 -6.568 2.480 599 H THR 83 H THR 83 15.299 -8.970 5.771 600 HA THR 83 HA THR 83 14.556 -9.607 8.495 601 HB THR 83 HB THR 83 16.958 -9.056 8.909 602 HG1 THR 83 1HG THR 83 18.142 -9.008 6.803 603 1HG2 THR 83 1HG2 THR 83 16.420 -10.980 6.667 604 2HG2 THR 83 2HG2 THR 83 16.157 -11.328 8.371 605 3HG2 THR 83 3HG2 THR 83 17.802 -11.053 7.771 606 H GLU 84 H GLU 84 15.895 -7.823 10.008 607 HA GLU 84 HA GLU 84 14.158 -5.650 10.018 608 1HB GLU 84 2HB GLU 84 16.656 -6.127 11.600 609 2HB GLU 84 1HB GLU 84 15.643 -4.704 11.807 610 1HG GLU 84 2HG GLU 84 13.740 -6.149 12.333 611 2HG GLU 84 1HG GLU 84 14.782 -7.556 12.158 612 H LYS 85 H LYS 85 17.418 -5.852 8.742 613 HA LYS 85 HA LYS 85 17.894 -3.087 8.355 614 1HB LYS 85 2HB LYS 85 19.453 -3.771 6.571 615 2HB LYS 85 1HB LYS 85 19.593 -4.887 7.934 616 1HG LYS 85 2HG LYS 85 18.069 -6.421 6.783 617 2HG LYS 85 1HG LYS 85 17.988 -5.292 5.473 618 1HD LYS 85 2HD LYS 85 19.416 -7.070 4.909 619 2HD LYS 85 1HD LYS 85 20.328 -5.561 4.942 620 1HE LYS 85 2HE LYS 85 21.205 -6.135 7.180 621 2HE LYS 85 1HE LYS 85 20.316 -7.659 7.141 622 1HZ LYS 85 1HZ LYS 85 22.631 -7.975 6.535 623 2HZ LYS 85 2HZ LYS 85 22.493 -6.882 5.264 624 3HZ LYS 85 3HZ LYS 85 21.638 -8.322 5.228 625 H GLU 86 H GLU 86 16.092 -5.424 6.603 626 HA GLU 86 HA GLU 86 15.509 -4.035 4.188 627 1HB GLU 86 2HB GLU 86 14.529 -6.374 5.668 628 2HB GLU 86 1HB GLU 86 13.923 -6.074 4.093 629 1HG GLU 86 2HG GLU 86 16.754 -6.746 4.956 630 2HG GLU 86 1HG GLU 86 15.679 -7.787 4.060 631 H ILE 87 H ILE 87 13.670 -5.218 6.886 632 HA ILE 87 HA ILE 87 11.273 -3.949 6.549 633 HB ILE 87 HB ILE 87 12.801 -5.011 8.799 634 1HG1 ILE 87 2HG1 ILE 87 11.617 -6.429 7.242 635 2HG1 ILE 87 1HG1 ILE 87 11.083 -6.713 8.881 636 1HG2 ILE 87 1HG2 ILE 87 10.907 -4.629 10.375 637 2HG2 ILE 87 2HG2 ILE 87 10.159 -3.632 9.101 638 3HG2 ILE 87 3HG2 ILE 87 11.697 -3.131 9.822 639 1HD1 ILE 87 1HD1 ILE 87 9.159 -6.687 7.426 640 2HD1 ILE 87 2HD1 ILE 87 9.678 -5.157 6.719 641 3HD1 ILE 87 3HD1 ILE 87 9.136 -5.201 8.390 642 H ASN 88 H ASN 88 14.132 -2.705 8.291 643 HA ASN 88 HA ASN 88 12.886 -0.316 9.112 644 1HB ASN 88 2HB ASN 88 15.761 -1.012 8.749 645 2HB ASN 88 1HB ASN 88 15.309 0.671 8.998 646 1HD2 ASN 88 1HD2 ASN 88 15.505 -2.487 10.406 647 2HD2 ASN 88 2HD2 ASN 88 15.209 -2.048 12.039 648 H THR 89 H THR 89 14.262 -1.204 6.127 649 HA THR 89 HA THR 89 14.416 1.363 5.065 650 HB THR 89 HB THR 89 14.038 -1.259 3.596 651 HG1 THR 89 1HG THR 89 15.928 -1.433 4.775 652 1HG2 THR 89 1HG2 THR 89 15.158 1.399 2.784 653 2HG2 THR 89 2HG2 THR 89 13.615 0.706 2.243 654 3HG2 THR 89 3HG2 THR 89 15.148 -0.056 1.775 655 H LEU 90 H LEU 90 11.735 -1.093 4.959 656 HA LEU 90 HA LEU 90 10.036 0.705 3.482 657 1HB LEU 90 2HB LEU 90 8.578 -1.056 3.306 658 2HB LEU 90 1HB LEU 90 9.670 -2.037 4.231 659 HG LEU 90 HG LEU 90 7.848 -0.286 5.759 660 1HD1 LEU 90 1HD1 LEU 90 6.937 -2.644 4.190 661 2HD1 LEU 90 2HD1 LEU 90 6.449 -0.931 4.048 662 3HD1 LEU 90 3HD1 LEU 90 6.049 -1.844 5.506 663 1HD2 LEU 90 1HD2 LEU 90 8.633 -3.158 5.952 664 2HD2 LEU 90 2HD2 LEU 90 7.567 -2.254 7.031 665 3HD2 LEU 90 3HD2 LEU 90 9.288 -1.800 6.908 666 H ASN 91 H ASN 91 10.740 0.120 6.757 667 HA ASN 91 HA ASN 91 8.546 1.209 8.077 668 1HB ASN 91 2HB ASN 91 10.700 -0.062 8.919 669 2HB ASN 91 1HB ASN 91 11.328 1.568 9.134 670 1HD2 ASN 91 1HD2 ASN 91 9.058 -0.782 10.145 671 2HD2 ASN 91 2HD2 ASN 91 8.546 -0.092 11.603 672 H ASP 92 H ASP 92 11.272 2.567 6.589 673 HA ASP 92 HA ASP 92 11.111 5.286 7.494 674 1HB ASP 92 2HB ASP 92 13.128 4.359 6.348 675 2HB ASP 92 1HB ASP 92 12.203 4.242 4.858 676 H TRP 93 H TRP 93 10.045 3.627 4.578 677 HA TRP 93 HA TRP 93 8.663 5.722 3.327 678 1HB TRP 93 2HB TRP 93 8.336 2.756 3.170 679 2HB TRP 93 1HB TRP 93 7.438 3.857 2.139 680 HD1 TRP 93 HD TRP 93 10.936 2.382 2.669 681 HE1 TRP 93 1HE TRP 93 12.336 2.793 0.557 682 HE3 TRP 93 3HE TRP 93 7.746 5.475 0.201 683 HZ2 TRP 93 2HZ TRP 93 12.115 4.256 -1.850 684 HZ3 TRP 93 3HZ TRP 93 8.402 6.349 -2.010 685 HH2 TRP 93 HH TRP 93 10.536 5.751 -3.010 686 H GLU 94 H GLU 94 7.444 3.213 5.531 687 HA GLU 94 HA GLU 94 4.732 3.803 5.558 688 1HB GLU 94 2HB GLU 94 6.461 3.145 7.948 689 2HB GLU 94 1HB GLU 94 4.709 3.080 7.929 690 1HG GLU 94 2HG GLU 94 4.777 1.337 6.298 691 2HG GLU 94 1HG GLU 94 6.544 1.366 6.258 692 H THR 95 H THR 95 7.254 5.190 7.412 693 HA THR 95 HA THR 95 5.897 6.990 9.066 694 HB THR 95 HB THR 95 8.680 7.212 7.916 695 HG1 THR 95 1HG THR 95 8.559 5.270 8.967 696 1HG2 THR 95 1HG2 THR 95 7.519 8.374 10.469 697 2HG2 THR 95 2HG2 THR 95 7.940 9.290 9.024 698 3HG2 THR 95 3HG2 THR 95 9.204 8.499 9.960 699 H LYS 96 H LYS 96 6.961 7.269 5.747 700 HA LYS 96 HA LYS 96 6.803 10.132 5.675 701 1HB LYS 96 2HB LYS 96 7.166 8.119 3.453 702 2HB LYS 96 1HB LYS 96 7.442 9.861 3.342 703 1HG LYS 96 2HG LYS 96 8.913 8.003 5.179 704 2HG LYS 96 1HG LYS 96 9.565 8.525 3.645 705 1HD LYS 96 2HD LYS 96 9.507 10.857 4.444 706 2HD LYS 96 1HD LYS 96 8.796 10.317 5.963 707 1HE LYS 96 2HE LYS 96 11.178 10.746 6.217 708 2HE LYS 96 1HE LYS 96 10.810 9.046 6.453 709 1HZ LYS 96 1HZ LYS 96 11.693 8.521 4.326 710 2HZ LYS 96 2HZ LYS 96 12.817 9.537 5.081 711 3HZ LYS 96 3HZ LYS 96 11.795 10.154 3.893 712 H PHE 97 H PHE 97 5.034 7.404 4.490 713 HA PHE 97 HA PHE 97 2.930 8.857 3.279 714 1HB PHE 97 2HB PHE 97 3.366 6.056 4.168 715 2HB PHE 97 1HB PHE 97 1.792 6.531 3.586 716 HD1 PHE 97 1HD PHE 97 5.378 6.878 2.566 717 HD2 PHE 97 2HD PHE 97 1.386 6.114 1.333 718 HE1 PHE 97 1HE PHE 97 6.158 6.527 0.267 719 HE2 PHE 97 2HE PHE 97 2.173 5.754 -0.976 720 HZ PHE 97 HZ PHE 97 4.552 5.961 -1.502 721 H GLU 98 H GLU 98 3.475 7.474 6.408 722 HA GLU 98 HA GLU 98 1.041 7.707 7.657 723 1HB GLU 98 2HB GLU 98 3.781 7.364 8.323 724 2HB GLU 98 1HB GLU 98 3.023 8.190 9.633 725 1HG GLU 98 2HG GLU 98 2.245 5.551 8.405 726 2HG GLU 98 1HG GLU 98 3.015 5.832 9.963 727 H ALA 99 H ALA 99 3.176 10.347 6.783 728 HA ALA 99 HA ALA 99 1.825 12.010 8.748 729 1HB ALA 99 1HB ALA 99 4.262 12.087 8.713 730 2HB ALA 99 2HB ALA 99 3.556 13.642 8.265 731 3HB ALA 99 3HB ALA 99 4.222 12.584 7.022 732 H LYS 100 H LYS 100 1.451 11.046 5.573 733 HA LYS 100 HA LYS 100 0.579 13.742 4.754 734 1HB LYS 100 2HB LYS 100 1.285 11.477 2.899 735 2HB LYS 100 1HB LYS 100 1.093 13.177 2.528 736 1HG LYS 100 2HG LYS 100 3.343 11.929 4.075 737 2HG LYS 100 1HG LYS 100 3.412 12.545 2.429 738 1HD LYS 100 2HD LYS 100 2.882 14.791 3.335 739 2HD LYS 100 1HD LYS 100 2.951 14.112 4.952 740 1HE LYS 100 2HE LYS 100 5.217 13.397 4.626 741 2HE LYS 100 1HE LYS 100 5.227 14.016 2.978 742 1HZ LYS 100 1HZ LYS 100 6.337 15.513 4.463 743 2HZ LYS 100 2HZ LYS 100 4.992 15.639 5.466 744 3HZ LYS 100 3HZ LYS 100 4.941 16.247 3.867 745 H TYR 101 H TYR 101 0.003 10.269 4.461 746 HA TYR 101 HA TYR 101 -2.647 10.815 3.382 747 1HB TYR 101 2HB TYR 101 -1.032 8.285 3.342 748 2HB TYR 101 1HB TYR 101 -2.519 8.623 2.463 749 HD1 TYR 101 1HD TYR 101 0.861 8.257 2.076 750 HD2 TYR 101 2HD TYR 101 -2.252 10.948 0.998 751 HE1 TYR 101 1HE TYR 101 2.220 9.066 0.227 752 HE2 TYR 101 2HE TYR 101 -0.888 11.770 -0.880 753 HH TYR 101 HH TYR 101 1.488 11.881 -1.500 754 HA PRO 102 HA PRO 102 -4.253 9.010 7.118 755 1HB PRO 102 2HB PRO 102 -6.810 8.921 6.459 756 2HB PRO 102 1HB PRO 102 -5.995 10.485 6.609 757 1HG PRO 102 2HG PRO 102 -6.603 8.905 4.139 758 2HG PRO 102 1HG PRO 102 -6.875 10.631 4.424 759 1HD PRO 102 2HD PRO 102 -4.677 9.673 3.097 760 2HD PRO 102 1HD PRO 102 -4.683 11.160 4.080 761 H VAL 103 H VAL 103 -4.611 6.999 7.803 762 HA VAL 103 HA VAL 103 -4.682 4.827 5.901 763 HB VAL 103 HB VAL 103 -4.864 4.697 8.940 764 1HG1 VAL 103 1HG1 VAL 103 -5.818 2.708 7.864 765 2HG1 VAL 103 2HG1 VAL 103 -4.297 2.333 8.683 766 3HG1 VAL 103 3HG1 VAL 103 -4.329 2.513 6.933 767 1HG2 VAL 103 1HG2 VAL 103 -2.533 4.270 7.092 768 2HG2 VAL 103 2HG2 VAL 103 -2.546 3.917 8.806 769 3HG2 VAL 103 3HG2 VAL 103 -2.733 5.588 8.253 770 H VAL 104 H VAL 104 -6.452 4.498 4.930 771 HA VAL 104 HA VAL 104 -9.004 5.047 6.261 772 HB VAL 104 HB VAL 104 -10.039 4.840 3.999 773 1HG1 VAL 104 1HG1 VAL 104 -9.323 7.016 4.859 774 2HG1 VAL 104 2HG1 VAL 104 -9.097 6.925 3.113 775 3HG1 VAL 104 3HG1 VAL 104 -7.710 6.757 4.191 776 1HG2 VAL 104 1HG2 VAL 104 -8.574 4.766 2.038 777 2HG2 VAL 104 2HG2 VAL 104 -8.403 3.298 3.008 778 3HG2 VAL 104 3HG2 VAL 104 -7.177 4.566 3.092 779 H GLY 105 H GLY 105 -7.120 2.465 6.155 780 1HA GLY 105 2HA GLY 105 -8.881 0.738 7.215 781 2HA GLY 105 1HA GLY 105 -9.102 0.509 5.488 782 H ARG 106 H ARG 106 -8.471 -1.612 6.046 783 HA ARG 106 HA ARG 106 -5.556 -2.018 6.402 784 1HB ARG 106 2HB ARG 106 -6.174 -4.325 6.928 785 2HB ARG 106 1HB ARG 106 -6.849 -3.248 8.107 786 1HG ARG 106 2HG ARG 106 -8.995 -3.365 7.073 787 2HG ARG 106 1HG ARG 106 -8.295 -4.272 5.732 788 1HD ARG 106 2HD ARG 106 -9.443 -5.750 7.235 789 2HD ARG 106 1HD ARG 106 -7.683 -5.986 7.127 790 HE ARG 106 HE ARG 106 -7.715 -4.610 9.293 791 1HH1 ARG 106 1HH1 ARG 106 -10.190 -7.038 8.376 792 2HH1 ARG 106 2HH1 ARG 106 -10.573 -7.388 9.998 793 1HH2 ARG 106 1HH2 ARG 106 -8.258 -5.164 11.476 794 2HH2 ARG 106 2HH2 ARG 106 -9.471 -6.334 11.786 795 H VAL 107 H VAL 107 -4.621 -3.645 5.121 796 HA VAL 107 HA VAL 107 -6.357 -4.631 3.033 797 HB VAL 107 HB VAL 107 -4.498 -3.216 2.072 798 1HG1 VAL 107 1HG1 VAL 107 -2.829 -5.377 3.196 799 2HG1 VAL 107 2HG1 VAL 107 -2.788 -3.615 3.543 800 3HG1 VAL 107 3HG1 VAL 107 -2.282 -4.231 1.959 801 1HG2 VAL 107 1HG2 VAL 107 -4.492 -6.107 1.437 802 2HG2 VAL 107 2HG2 VAL 107 -3.937 -4.828 0.319 803 3HG2 VAL 107 3HG2 VAL 107 -5.643 -4.928 0.850 804 H VAL 108 H VAL 108 -6.371 -6.723 2.700 805 HA VAL 108 HA VAL 108 -5.069 -8.326 4.749 806 HB VAL 108 HB VAL 108 -7.166 -9.626 4.973 807 1HG1 VAL 108 1HG1 VAL 108 -8.303 -7.905 6.234 808 2HG1 VAL 108 2HG1 VAL 108 -7.516 -6.727 5.218 809 3HG1 VAL 108 3HG1 VAL 108 -6.521 -7.693 6.365 810 1HG2 VAL 108 1HG2 VAL 108 -8.161 -9.020 2.779 811 2HG2 VAL 108 2HG2 VAL 108 -8.291 -7.362 3.461 812 3HG2 VAL 108 3HG2 VAL 108 -9.210 -8.659 4.184 813 H SER 109 H SER 109 -4.582 -10.306 4.308 814 HA SER 109 HA SER 109 -5.366 -11.473 1.816 815 1HB SER 109 2HB SER 109 -3.162 -10.426 1.464 816 2HB SER 109 1HB SER 109 -2.596 -11.231 2.933 817 HG SER 109 HG SER 109 -2.441 -13.085 1.868 Start of MODEL 2 1 1H MET 1 1HT MET 1 -14.723 13.055 -11.144 2 2H MET 1 2HT MET 1 -13.365 12.886 -10.193 3 3H MET 1 3HT MET 1 -13.380 14.043 -11.437 4 HA MET 1 HA MET 1 -13.682 15.050 -9.258 5 1HB MET 1 2HB MET 1 -14.824 16.041 -11.231 6 2HB MET 1 1HB MET 1 -16.215 15.014 -10.920 7 1HG MET 1 2HG MET 1 -16.551 16.136 -8.776 8 2HG MET 1 1HG MET 1 -15.169 17.175 -9.113 9 1HE MET 1 1HE MET 1 -16.686 19.280 -8.641 10 2HE MET 1 2HE MET 1 -18.106 18.271 -8.366 11 3HE MET 1 3HE MET 1 -18.188 19.624 -9.495 12 H GLY 2 H GLY 2 -14.512 14.875 -7.228 13 1HA GLY 2 2HA GLY 2 -16.814 13.907 -6.302 14 2HA GLY 2 1HA GLY 2 -15.915 12.429 -6.624 15 H HIS 3 H HIS 3 -14.010 12.014 -5.505 16 HA HIS 3 HA HIS 3 -12.725 11.816 -3.671 17 1HB HIS 3 2HB HIS 3 -13.180 14.795 -3.272 18 2HB HIS 3 1HB HIS 3 -11.972 13.832 -2.441 19 HD1 HIS 3 1HD HIS 3 -12.509 15.887 -5.405 20 HD2 HIS 3 2HD HIS 3 -9.871 12.883 -4.266 21 HE1 HIS 3 1HE HIS 3 -10.605 16.026 -7.003 22 HE2 HIS 3 2HE HIS 3 -8.928 14.421 -6.148 23 H HIS 4 H HIS 4 -14.289 10.488 -2.728 24 HA HIS 4 HA HIS 4 -15.837 11.789 -0.612 25 1HB HIS 4 2HB HIS 4 -16.203 9.029 -1.814 26 2HB HIS 4 1HB HIS 4 -17.174 9.694 -0.509 27 HD1 HIS 4 1HD HIS 4 -16.995 9.443 -4.126 28 HD2 HIS 4 2HD HIS 4 -18.761 12.014 -1.384 29 HE1 HIS 4 1HE HIS 4 -18.750 10.689 -5.406 30 HE2 HIS 4 2HE HIS 4 -19.607 12.398 -3.809 31 H HIS 5 H HIS 5 -14.394 11.971 0.953 32 HA HIS 5 HA HIS 5 -12.634 9.825 1.667 33 1HB HIS 5 2HB HIS 5 -11.903 12.170 1.873 34 2HB HIS 5 1HB HIS 5 -13.187 12.484 3.023 35 HD1 HIS 5 1HD HIS 5 -9.716 11.242 2.765 36 HD2 HIS 5 2HD HIS 5 -12.742 11.283 5.614 37 HE1 HIS 5 1HE HIS 5 -8.603 10.725 4.947 38 HE2 HIS 5 2HE HIS 5 -10.400 10.991 6.663 39 H HIS 6 H HIS 6 -13.413 8.138 2.660 40 HA HIS 6 HA HIS 6 -15.786 8.274 4.297 41 1HB HIS 6 2HB HIS 6 -13.907 5.945 3.777 42 2HB HIS 6 1HB HIS 6 -15.471 5.847 4.567 43 HD1 HIS 6 1HD HIS 6 -13.880 5.603 1.327 44 HD2 HIS 6 2HD HIS 6 -17.673 6.515 2.737 45 HE1 HIS 6 1HE HIS 6 -15.404 5.348 -0.641 46 HE2 HIS 6 2HE HIS 6 -17.695 5.621 0.310 47 H HIS 7 H HIS 7 -15.786 7.579 6.524 48 HA HIS 7 HA HIS 7 -13.221 7.622 7.781 49 1HB HIS 7 2HB HIS 7 -13.850 9.313 9.485 50 2HB HIS 7 1HB HIS 7 -13.782 9.975 7.867 51 HD1 HIS 7 1HD HIS 7 -16.065 10.818 6.842 52 HD2 HIS 7 2HD HIS 7 -16.321 9.421 10.750 53 HE1 HIS 7 1HE HIS 7 -18.270 11.588 7.692 54 HE2 HIS 7 2HE HIS 7 -18.166 11.084 10.143 55 H HIS 8 H HIS 8 -13.351 5.617 8.258 56 HA HIS 8 HA HIS 8 -14.505 4.888 10.689 57 1HB HIS 8 2HB HIS 8 -16.549 4.800 9.106 58 2HB HIS 8 1HB HIS 8 -15.757 3.476 8.281 59 HD1 HIS 8 1HD HIS 8 -17.396 4.379 11.551 60 HD2 HIS 8 2HD HIS 8 -16.083 1.005 9.520 61 HE1 HIS 8 1HE HIS 8 -18.334 2.434 12.800 62 HE2 HIS 8 2HE HIS 8 -17.285 0.429 11.719 63 H LEU 9 H LEU 9 -14.185 2.860 7.787 64 HA LEU 9 HA LEU 9 -11.621 2.605 7.314 65 1HB LEU 9 2HB LEU 9 -10.660 0.679 8.394 66 2HB LEU 9 1HB LEU 9 -11.269 1.665 9.687 67 HG LEU 9 HG LEU 9 -11.619 -0.575 10.293 68 1HD1 LEU 9 1HD1 LEU 9 -13.447 0.760 10.903 69 2HD1 LEU 9 2HD1 LEU 9 -13.997 -0.874 10.500 70 3HD1 LEU 9 3HD1 LEU 9 -14.207 0.456 9.341 71 1HD2 LEU 9 1HD2 LEU 9 -12.882 -1.104 7.592 72 2HD2 LEU 9 2HD2 LEU 9 -12.843 -2.265 8.917 73 3HD2 LEU 9 3HD2 LEU 9 -11.339 -1.714 8.177 74 H GLU 10 H GLU 10 -11.253 0.910 5.785 75 HA GLU 10 HA GLU 10 -13.601 -0.698 5.263 76 1HB GLU 10 2HB GLU 10 -13.673 1.250 3.758 77 2HB GLU 10 1HB GLU 10 -12.070 0.837 3.172 78 1HG GLU 10 2HG GLU 10 -13.834 0.164 1.681 79 2HG GLU 10 1HG GLU 10 -12.886 -1.222 2.233 80 H GLU 11 H GLU 11 -13.134 -2.775 4.525 81 HA GLU 11 HA GLU 11 -10.407 -3.468 4.675 82 1HB GLU 11 2HB GLU 11 -11.800 -4.775 6.024 83 2HB GLU 11 1HB GLU 11 -12.963 -5.000 4.721 84 1HG GLU 11 2HG GLU 11 -11.535 -6.370 3.553 85 2HG GLU 11 1HG GLU 11 -10.153 -6.059 4.542 86 H PHE 12 H PHE 12 -9.297 -3.863 3.009 87 HA PHE 12 HA PHE 12 -10.627 -4.418 0.473 88 1HB PHE 12 2HB PHE 12 -8.005 -3.087 1.055 89 2HB PHE 12 1HB PHE 12 -8.694 -3.701 -0.432 90 HD1 PHE 12 1HD PHE 12 -8.912 -1.089 2.158 91 HD2 PHE 12 2HD PHE 12 -10.416 -2.382 -1.607 92 HE1 PHE 12 1HE PHE 12 -9.984 1.099 1.844 93 HE2 PHE 12 2HE PHE 12 -11.496 -0.195 -1.925 94 HZ PHE 12 HZ PHE 12 -11.278 1.550 -0.198 95 H THR 13 H THR 13 -9.791 -6.176 -0.615 96 HA THR 13 HA THR 13 -7.748 -7.652 0.837 97 HB THR 13 HB THR 13 -9.239 -8.519 -1.652 98 HG1 THR 13 1HG THR 13 -10.876 -8.922 -0.468 99 1HG2 THR 13 1HG2 THR 13 -7.262 -9.697 -1.061 100 2HG2 THR 13 2HG2 THR 13 -8.695 -10.737 -0.823 101 3HG2 THR 13 3HG2 THR 13 -7.869 -9.968 0.569 102 H ALA 14 H ALA 14 -5.892 -8.450 -0.487 103 HA ALA 14 HA ALA 14 -4.553 -6.237 -1.597 104 1HB ALA 14 1HB ALA 14 -3.383 -8.093 -0.513 105 2HB ALA 14 2HB ALA 14 -2.722 -7.732 -2.109 106 3HB ALA 14 3HB ALA 14 -3.769 -9.133 -1.886 107 H GLU 15 H GLU 15 -5.897 -9.055 -3.209 108 HA GLU 15 HA GLU 15 -5.175 -8.229 -5.805 109 1HB GLU 15 2HB GLU 15 -7.313 -10.096 -4.828 110 2HB GLU 15 1HB GLU 15 -6.892 -9.899 -6.522 111 1HG GLU 15 2HG GLU 15 -4.704 -10.719 -6.163 112 2HG GLU 15 1HG GLU 15 -4.903 -10.707 -4.419 113 H GLN 16 H GLN 16 -7.973 -7.543 -3.803 114 HA GLN 16 HA GLN 16 -9.334 -6.252 -5.948 115 1HB GLN 16 2HB GLN 16 -9.885 -6.250 -2.986 116 2HB GLN 16 1HB GLN 16 -10.851 -5.295 -4.077 117 1HG GLN 16 2HG GLN 16 -12.156 -7.150 -3.990 118 2HG GLN 16 1HG GLN 16 -11.085 -7.638 -5.289 119 1HE2 GLN 16 1HE2 GLN 16 -9.421 -9.187 -4.801 120 2HE2 GLN 16 2HE2 GLN 16 -9.605 -10.249 -3.464 121 H LEU 17 H LEU 17 -7.204 -5.258 -3.402 122 HA LEU 17 HA LEU 17 -7.444 -2.465 -3.635 123 1HB LEU 17 2HB LEU 17 -6.186 -3.992 -1.893 124 2HB LEU 17 1HB LEU 17 -4.853 -3.875 -3.011 125 HG LEU 17 HG LEU 17 -4.390 -2.258 -1.330 126 1HD1 LEU 17 1HD1 LEU 17 -4.468 -0.149 -2.268 127 2HD1 LEU 17 2HD1 LEU 17 -5.570 -0.740 -3.519 128 3HD1 LEU 17 3HD1 LEU 17 -3.920 -1.389 -3.406 129 1HD2 LEU 17 1HD2 LEU 17 -7.199 -1.274 -1.592 130 2HD2 LEU 17 2HD2 LEU 17 -5.923 -0.575 -0.596 131 3HD2 LEU 17 3HD2 LEU 17 -6.526 -2.199 -0.241 132 H SER 18 H SER 18 -5.561 -4.927 -5.322 133 HA SER 18 HA SER 18 -3.738 -3.332 -6.729 134 1HB SER 18 2HB SER 18 -4.810 -6.066 -7.434 135 2HB SER 18 1HB SER 18 -3.406 -5.310 -8.188 136 HG SER 18 HG SER 18 -3.666 -5.839 -5.396 137 H GLN 19 H GLN 19 -6.912 -3.084 -7.124 138 HA GLN 19 HA GLN 19 -6.739 -2.472 -9.987 139 1HB GLN 19 2HB GLN 19 -9.108 -3.125 -8.236 140 2HB GLN 19 1HB GLN 19 -9.238 -2.615 -9.918 141 1HG GLN 19 2HG GLN 19 -8.105 -4.565 -10.683 142 2HG GLN 19 1HG GLN 19 -7.673 -5.029 -9.040 143 1HE2 GLN 19 1HE2 GLN 19 -9.177 -5.974 -7.768 144 2HE2 GLN 19 2HE2 GLN 19 -10.683 -6.587 -8.340 145 H TYR 20 H TYR 20 -6.847 -1.140 -6.889 146 HA TYR 20 HA TYR 20 -8.213 1.291 -7.637 147 1HB TYR 20 2HB TYR 20 -7.054 0.289 -5.046 148 2HB TYR 20 1HB TYR 20 -7.609 1.945 -5.241 149 HD1 TYR 20 1HD TYR 20 -9.962 2.430 -5.549 150 HD2 TYR 20 2HD TYR 20 -8.652 -1.547 -4.891 151 HE1 TYR 20 1HE TYR 20 -12.246 1.795 -5.005 152 HE2 TYR 20 2HE TYR 20 -10.966 -2.212 -4.334 153 HH TYR 20 HH TYR 20 -13.042 -1.090 -3.492 154 H ASN 21 H ASN 21 -5.467 0.351 -8.619 155 HA ASN 21 HA ASN 21 -3.677 2.406 -7.735 156 1HB ASN 21 2HB ASN 21 -2.203 1.656 -9.643 157 2HB ASN 21 1HB ASN 21 -2.630 0.397 -8.495 158 1HD2 ASN 21 1HD2 ASN 21 -2.137 -1.158 -10.045 159 2HD2 ASN 21 2HD2 ASN 21 -3.193 -1.499 -11.360 160 H GLY 22 H GLY 22 -6.296 2.609 -9.570 161 1HA GLY 22 2HA GLY 22 -7.090 4.712 -10.290 162 2HA GLY 22 1HA GLY 22 -5.431 5.213 -10.644 163 H THR 23 H THR 23 -5.625 2.209 -11.727 164 HA THR 23 HA THR 23 -6.169 3.099 -14.423 165 HB THR 23 HB THR 23 -5.013 0.535 -13.337 166 HG1 THR 23 1HG THR 23 -3.116 1.493 -13.402 167 1HG2 THR 23 1HG2 THR 23 -5.851 0.307 -15.629 168 2HG2 THR 23 2HG2 THR 23 -4.085 0.228 -15.599 169 3HG2 THR 23 3HG2 THR 23 -4.901 1.712 -16.125 170 H ASP 24 H ASP 24 -7.932 1.736 -11.917 171 HA ASP 24 HA ASP 24 -9.563 0.051 -13.561 172 1HB ASP 24 2HB ASP 24 -9.449 0.079 -10.864 173 2HB ASP 24 1HB ASP 24 -10.499 1.437 -11.104 174 H GLU 25 H GLU 25 -11.842 0.712 -13.961 175 HA GLU 25 HA GLU 25 -11.786 3.266 -15.136 176 1HB GLU 25 2HB GLU 25 -13.935 1.187 -14.991 177 2HB GLU 25 1HB GLU 25 -14.037 2.678 -15.925 178 1HG GLU 25 2HG GLU 25 -11.924 0.574 -16.286 179 2HG GLU 25 1HG GLU 25 -13.390 0.755 -17.252 180 H SER 26 H SER 26 -11.530 4.484 -13.505 181 HA SER 26 HA SER 26 -12.300 6.348 -12.401 182 1HB SER 26 2HB SER 26 -14.364 6.333 -13.672 183 2HB SER 26 1HB SER 26 -15.021 5.054 -12.661 184 HG SER 26 HG SER 26 -14.808 6.597 -10.902 185 H LYS 27 H LYS 27 -11.592 3.600 -11.089 186 HA LYS 27 HA LYS 27 -12.871 4.209 -8.586 187 1HB LYS 27 2HB LYS 27 -11.138 1.799 -9.194 188 2HB LYS 27 1HB LYS 27 -11.784 2.150 -7.600 189 1HG LYS 27 2HG LYS 27 -14.043 2.334 -9.044 190 2HG LYS 27 1HG LYS 27 -13.117 1.258 -10.043 191 1HD LYS 27 2HD LYS 27 -13.370 0.653 -7.106 192 2HD LYS 27 1HD LYS 27 -14.624 0.160 -8.232 193 1HE LYS 27 2HE LYS 27 -11.730 -0.551 -8.607 194 2HE LYS 27 1HE LYS 27 -12.833 -1.564 -7.672 195 1HZ LYS 27 1HZ LYS 27 -12.657 -2.299 -9.954 196 2HZ LYS 27 2HZ LYS 27 -13.108 -0.807 -10.533 197 3HZ LYS 27 3HZ LYS 27 -14.227 -1.756 -9.682 198 HA PRO 28 HA PRO 28 -10.040 6.796 -6.579 199 1HB PRO 28 2HB PRO 28 -10.336 5.728 -4.002 200 2HB PRO 28 1HB PRO 28 -11.322 7.005 -4.720 201 1HG PRO 28 2HG PRO 28 -11.875 4.084 -4.494 202 2HG PRO 28 1HG PRO 28 -12.993 5.451 -4.383 203 1HD PRO 28 2HD PRO 28 -12.859 3.900 -6.545 204 2HD PRO 28 1HD PRO 28 -13.161 5.642 -6.697 205 H ILE 29 H ILE 29 -8.033 6.901 -5.506 206 HA ILE 29 HA ILE 29 -6.337 4.596 -6.161 207 HB ILE 29 HB ILE 29 -5.499 7.444 -5.524 208 1HG1 ILE 29 2HG1 ILE 29 -6.132 6.296 -8.253 209 2HG1 ILE 29 1HG1 ILE 29 -7.175 7.411 -7.381 210 1HG2 ILE 29 1HG2 ILE 29 -3.524 6.836 -6.809 211 2HG2 ILE 29 2HG2 ILE 29 -4.262 5.310 -7.253 212 3HG2 ILE 29 3HG2 ILE 29 -3.776 5.573 -5.589 213 1HD1 ILE 29 1HD1 ILE 29 -4.377 8.008 -8.193 214 2HD1 ILE 29 2HD1 ILE 29 -5.565 9.128 -7.502 215 3HD1 ILE 29 3HD1 ILE 29 -5.830 8.408 -9.097 216 H TYR 30 H TYR 30 -5.072 3.549 -4.455 217 HA TYR 30 HA TYR 30 -5.033 4.755 -1.844 218 1HB TYR 30 2HB TYR 30 -6.346 2.072 -2.358 219 2HB TYR 30 1HB TYR 30 -5.917 2.707 -0.782 220 HD1 TYR 30 1HD TYR 30 -7.028 4.982 -0.158 221 HD2 TYR 30 2HD TYR 30 -8.475 2.367 -3.164 222 HE1 TYR 30 1HE TYR 30 -9.254 6.011 0.032 223 HE2 TYR 30 2HE TYR 30 -10.696 3.381 -2.988 224 HH TYR 30 HH TYR 30 -11.246 6.290 -1.424 225 H VAL 31 H VAL 31 -3.173 4.186 -0.897 226 HA VAL 31 HA VAL 31 -1.734 1.964 -2.150 227 HB VAL 31 HB VAL 31 -0.486 4.056 -2.560 228 1HG1 VAL 31 1HG1 VAL 31 -1.333 5.365 -0.769 229 2HG1 VAL 31 2HG1 VAL 31 0.448 5.322 -0.822 230 3HG1 VAL 31 3HG1 VAL 31 -0.426 4.375 0.400 231 1HG2 VAL 31 1HG2 VAL 31 0.781 2.356 -0.467 232 2HG2 VAL 31 2HG2 VAL 31 1.617 3.498 -1.546 233 3HG2 VAL 31 3HG2 VAL 31 0.731 2.095 -2.219 234 H ALA 32 H ALA 32 -0.960 0.393 -0.886 235 HA ALA 32 HA ALA 32 -1.710 0.637 1.918 236 1HB ALA 32 1HB ALA 32 -2.025 -1.768 1.909 237 2HB ALA 32 2HB ALA 32 -1.532 -1.835 0.217 238 3HB ALA 32 3HB ALA 32 -3.016 -1.007 0.662 239 H ILE 33 H ILE 33 -0.243 0.295 3.388 240 HA ILE 33 HA ILE 33 2.287 -0.953 2.624 241 HB ILE 33 HB ILE 33 2.007 1.589 4.242 242 1HG1 ILE 33 2HG1 ILE 33 3.457 1.065 1.646 243 2HG1 ILE 33 1HG1 ILE 33 1.962 1.971 1.809 244 1HG2 ILE 33 1HG2 ILE 33 4.457 1.568 4.476 245 2HG2 ILE 33 2HG2 ILE 33 4.483 -0.062 3.804 246 3HG2 ILE 33 3HG2 ILE 33 3.645 0.257 5.327 247 1HD1 ILE 33 1HD1 ILE 33 4.640 2.722 2.950 248 2HD1 ILE 33 2HD1 ILE 33 3.145 3.648 3.136 249 3HD1 ILE 33 3HD1 ILE 33 3.860 3.437 1.535 250 H LYS 34 H LYS 34 2.205 -2.740 3.717 251 HA LYS 34 HA LYS 34 2.529 -4.125 5.468 252 1HB LYS 34 2HB LYS 34 3.821 -2.107 6.385 253 2HB LYS 34 1HB LYS 34 2.373 -1.618 7.216 254 1HG LYS 34 2HG LYS 34 3.689 -4.260 7.779 255 2HG LYS 34 1HG LYS 34 4.281 -2.788 8.528 256 1HD LYS 34 2HD LYS 34 2.004 -2.459 9.495 257 2HD LYS 34 1HD LYS 34 1.520 -3.991 8.773 258 1HE LYS 34 2HE LYS 34 3.704 -3.606 10.812 259 2HE LYS 34 1HE LYS 34 2.100 -4.257 11.129 260 1HZ LYS 34 1HZ LYS 34 3.677 -6.034 10.899 261 2HZ LYS 34 2HZ LYS 34 4.196 -5.479 9.418 262 3HZ LYS 34 3HZ LYS 34 2.634 -6.093 9.575 263 H GLY 35 H GLY 35 -0.049 -3.111 4.344 264 1HA GLY 35 2HA GLY 35 -2.120 -4.169 4.653 265 2HA GLY 35 1HA GLY 35 -1.839 -4.301 6.348 266 H ARG 36 H ARG 36 -0.836 -1.283 5.792 267 HA ARG 36 HA ARG 36 -3.374 -0.170 6.666 268 1HB ARG 36 2HB ARG 36 -0.628 1.098 6.486 269 2HB ARG 36 1HB ARG 36 -2.038 1.791 7.277 270 1HG ARG 36 2HG ARG 36 -2.053 -0.050 8.881 271 2HG ARG 36 1HG ARG 36 -0.655 -0.744 8.048 272 1HD ARG 36 2HD ARG 36 0.012 0.435 10.088 273 2HD ARG 36 1HD ARG 36 0.690 1.187 8.652 274 HE ARG 36 HE ARG 36 -0.738 3.010 8.943 275 1HH1 ARG 36 1HH1 ARG 36 -1.285 0.605 11.514 276 2HH1 ARG 36 2HH1 ARG 36 -1.808 1.744 12.657 277 1HH2 ARG 36 1HH2 ARG 36 -1.468 4.612 10.598 278 2HH2 ARG 36 2HH2 ARG 36 -1.937 4.021 12.126 279 H VAL 37 H VAL 37 -4.679 0.564 5.138 280 HA VAL 37 HA VAL 37 -3.592 1.334 2.559 281 HB VAL 37 HB VAL 37 -6.467 0.995 3.465 282 1HG1 VAL 37 1HG1 VAL 37 -7.042 1.172 1.094 283 2HG1 VAL 37 2HG1 VAL 37 -5.347 1.480 0.710 284 3HG1 VAL 37 3HG1 VAL 37 -6.263 2.658 1.653 285 1HG2 VAL 37 1HG2 VAL 37 -5.214 -1.076 3.346 286 2HG2 VAL 37 2HG2 VAL 37 -4.709 -0.681 1.703 287 3HG2 VAL 37 3HG2 VAL 37 -6.408 -0.991 2.051 288 H PHE 38 H PHE 38 -3.184 3.309 2.073 289 HA PHE 38 HA PHE 38 -4.388 5.499 3.628 290 1HB PHE 38 2HB PHE 38 -1.937 5.457 1.918 291 2HB PHE 38 1HB PHE 38 -2.478 6.803 2.910 292 HD1 PHE 38 1HD PHE 38 -0.501 3.854 2.734 293 HD2 PHE 38 2HD PHE 38 -2.489 6.460 5.430 294 HE1 PHE 38 1HE PHE 38 0.886 3.011 4.569 295 HE2 PHE 38 2HE PHE 38 -1.106 5.611 7.267 296 HZ PHE 38 HZ PHE 38 0.590 3.882 6.834 297 H ASP 39 H ASP 39 -5.225 7.238 2.447 298 HA ASP 39 HA ASP 39 -5.958 6.613 -0.301 299 1HB ASP 39 2HB ASP 39 -7.738 7.535 1.055 300 2HB ASP 39 1HB ASP 39 -6.763 8.953 1.425 301 H VAL 40 H VAL 40 -4.925 7.215 -1.963 302 HA VAL 40 HA VAL 40 -3.316 9.639 -1.781 303 HB VAL 40 HB VAL 40 -1.852 8.626 -3.614 304 1HG1 VAL 40 1HG1 VAL 40 -1.095 8.904 -1.337 305 2HG1 VAL 40 2HG1 VAL 40 -0.495 7.393 -2.014 306 3HG1 VAL 40 3HG1 VAL 40 -1.853 7.379 -0.869 307 1HG2 VAL 40 1HG2 VAL 40 -1.766 6.188 -3.708 308 2HG2 VAL 40 2HG2 VAL 40 -3.342 6.816 -4.212 309 3HG2 VAL 40 3HG2 VAL 40 -3.153 6.103 -2.613 310 H THR 41 H THR 41 -6.107 8.834 -2.800 311 HA THR 41 HA THR 41 -6.228 9.517 -5.524 312 HB THR 41 HB THR 41 -8.253 10.138 -3.344 313 HG1 THR 41 1HG THR 41 -8.119 8.029 -3.168 314 1HG2 THR 41 1HG2 THR 41 -8.735 11.216 -5.501 315 2HG2 THR 41 2HG2 THR 41 -9.909 9.944 -5.153 316 3HG2 THR 41 3HG2 THR 41 -8.609 9.654 -6.307 317 H THR 42 H THR 42 -5.845 11.290 -2.598 318 HA THR 42 HA THR 42 -6.334 13.893 -3.470 319 HB THR 42 HB THR 42 -6.329 13.303 -1.114 320 HG1 THR 42 1HG THR 42 -5.035 14.949 -0.317 321 1HG2 THR 42 1HG2 THR 42 -4.255 12.769 0.105 322 2HG2 THR 42 2HG2 THR 42 -3.366 12.775 -1.418 323 3HG2 THR 42 3HG2 THR 42 -4.611 11.558 -1.127 324 H GLY 43 H GLY 43 -3.580 11.784 -3.889 325 1HA GLY 43 2HA GLY 43 -2.019 14.003 -5.057 326 2HA GLY 43 1HA GLY 43 -1.281 12.647 -4.207 327 H LYS 44 H LYS 44 -3.847 12.850 -6.539 328 HA LYS 44 HA LYS 44 -3.472 10.437 -7.829 329 1HB LYS 44 2HB LYS 44 -5.458 11.867 -7.986 330 2HB LYS 44 1HB LYS 44 -4.559 12.974 -9.010 331 1HG LYS 44 2HG LYS 44 -4.218 10.917 -10.561 332 2HG LYS 44 1HG LYS 44 -5.464 10.200 -9.578 333 1HD LYS 44 2HD LYS 44 -6.998 12.007 -10.052 334 2HD LYS 44 1HD LYS 44 -5.679 12.768 -10.967 335 1HE LYS 44 2HE LYS 44 -5.670 10.986 -12.565 336 2HE LYS 44 1HE LYS 44 -6.916 10.114 -11.671 337 1HZ LYS 44 1HZ LYS 44 -7.262 12.785 -12.919 338 2HZ LYS 44 2HZ LYS 44 -8.447 11.936 -12.117 339 3HZ LYS 44 3HZ LYS 44 -7.835 11.347 -13.580 340 H SER 45 H SER 45 -1.938 13.540 -8.512 341 HA SER 45 HA SER 45 -1.055 13.036 -11.117 342 1HB SER 45 2HB SER 45 0.232 14.776 -9.018 343 2HB SER 45 1HB SER 45 0.510 14.877 -10.760 344 HG SER 45 HG SER 45 -1.946 15.060 -10.758 345 H PHE 46 H PHE 46 0.301 12.020 -8.069 346 HA PHE 46 HA PHE 46 2.739 11.116 -9.376 347 1HB PHE 46 2HB PHE 46 1.894 11.036 -6.478 348 2HB PHE 46 1HB PHE 46 3.450 10.480 -7.080 349 HD1 PHE 46 1HD PHE 46 5.119 12.078 -7.836 350 HD2 PHE 46 2HD PHE 46 1.375 13.381 -6.291 351 HE1 PHE 46 1HE PHE 46 6.022 14.351 -7.579 352 HE2 PHE 46 2HE PHE 46 2.270 15.659 -6.031 353 HZ PHE 46 HZ PHE 46 4.594 16.147 -6.677 354 H TYR 47 H TYR 47 -0.131 9.885 -7.795 355 HA TYR 47 HA TYR 47 0.825 7.189 -8.111 356 1HB TYR 47 2HB TYR 47 -1.583 8.275 -6.659 357 2HB TYR 47 1HB TYR 47 -1.105 6.574 -6.678 358 HD1 TYR 47 1HD TYR 47 0.699 5.791 -5.277 359 HD2 TYR 47 2HD TYR 47 -0.126 9.952 -5.575 360 HE1 TYR 47 1HE TYR 47 2.236 6.236 -3.405 361 HE2 TYR 47 2HE TYR 47 1.394 10.403 -3.718 362 HH TYR 47 HH TYR 47 2.380 9.334 -1.889 363 H GLY 48 H GLY 48 -2.412 8.731 -8.835 364 1HA GLY 48 2HA GLY 48 -2.912 6.473 -10.601 365 2HA GLY 48 1HA GLY 48 -4.091 7.632 -10.057 366 H SER 49 H SER 49 -1.047 7.887 -11.702 367 HA SER 49 HA SER 49 -2.377 9.012 -14.055 368 1HB SER 49 2HB SER 49 -1.691 10.926 -12.587 369 2HB SER 49 1HB SER 49 -0.037 10.337 -12.628 370 HG SER 49 HG SER 49 -1.423 10.919 -15.012 371 H GLY 50 H GLY 50 -0.723 6.611 -12.921 372 1HA GLY 50 2HA GLY 50 0.824 5.138 -13.719 373 2HA GLY 50 1HA GLY 50 0.755 6.008 -15.250 374 H GLY 51 H GLY 51 1.690 6.998 -12.004 375 1HA GLY 51 2HA GLY 51 4.026 8.315 -13.103 376 2HA GLY 51 1HA GLY 51 3.417 8.447 -11.463 377 H ASP 52 H ASP 52 5.656 8.207 -10.918 378 HA ASP 52 HA ASP 52 7.002 5.724 -11.327 379 1HB ASP 52 2HB ASP 52 8.170 7.898 -10.966 380 2HB ASP 52 1HB ASP 52 7.530 7.949 -9.333 381 H TYR 53 H TYR 53 4.781 7.038 -9.104 382 HA TYR 53 HA TYR 53 5.095 4.872 -7.191 383 1HB TYR 53 2HB TYR 53 3.370 7.349 -7.155 384 2HB TYR 53 1HB TYR 53 3.363 6.130 -5.887 385 HD1 TYR 53 1HD TYR 53 5.422 5.741 -4.552 386 HD2 TYR 53 2HD TYR 53 5.080 9.000 -7.253 387 HE1 TYR 53 1HE TYR 53 7.315 6.843 -3.442 388 HE2 TYR 53 2HE TYR 53 6.969 10.114 -6.163 389 HH TYR 53 HH TYR 53 9.015 8.478 -4.043 390 H SER 54 H SER 54 3.996 4.548 -9.963 391 HA SER 54 HA SER 54 1.243 3.989 -10.013 392 1HB SER 54 2HB SER 54 1.927 2.633 -12.022 393 2HB SER 54 1HB SER 54 2.689 4.234 -11.879 394 HG SER 54 HG SER 54 4.446 3.314 -12.058 395 H MET 55 H MET 55 3.926 2.371 -8.818 396 HA MET 55 HA MET 55 2.863 -0.313 -8.691 397 1HB MET 55 2HB MET 55 5.363 0.843 -7.472 398 2HB MET 55 1HB MET 55 5.058 -0.839 -7.909 399 1HG MET 55 2HG MET 55 5.049 1.408 -9.805 400 2HG MET 55 1HG MET 55 6.498 0.596 -9.653 401 1HE MET 55 1HE MET 55 5.417 0.944 -12.446 402 2HE MET 55 2HE MET 55 5.458 -0.679 -13.133 403 3HE MET 55 3HE MET 55 6.781 -0.123 -12.106 404 H PHE 56 H PHE 56 2.864 2.503 -6.867 405 HA PHE 56 HA PHE 56 2.451 1.229 -4.271 406 1HB PHE 56 2HB PHE 56 2.712 4.117 -5.106 407 2HB PHE 56 1HB PHE 56 2.368 3.559 -3.480 408 HD1 PHE 56 1HD PHE 56 4.928 2.839 -6.135 409 HD2 PHE 56 2HD PHE 56 4.074 3.672 -2.062 410 HE1 PHE 56 1HE PHE 56 7.339 2.824 -5.629 411 HE2 PHE 56 2HE PHE 56 6.405 3.665 -1.531 412 HZ PHE 56 HZ PHE 56 8.104 3.230 -3.316 413 H ALA 57 H ALA 57 0.969 3.281 -6.684 414 HA ALA 57 HA ALA 57 -1.143 4.488 -5.556 415 1HB ALA 57 1HB ALA 57 -2.098 4.684 -7.729 416 2HB ALA 57 2HB ALA 57 -1.183 3.288 -8.295 417 3HB ALA 57 3HB ALA 57 -0.340 4.768 -7.842 418 H GLY 58 H GLY 58 -1.082 1.147 -5.804 419 1HA GLY 58 2HA GLY 58 -3.536 0.842 -4.550 420 2HA GLY 58 1HA GLY 58 -3.846 0.487 -6.220 421 H LYS 59 H LYS 59 -0.905 -0.239 -4.237 422 HA LYS 59 HA LYS 59 -1.756 -2.919 -4.192 423 1HB LYS 59 2HB LYS 59 -0.447 -2.362 -6.248 424 2HB LYS 59 1HB LYS 59 0.846 -1.851 -5.190 425 1HG LYS 59 2HG LYS 59 1.061 -4.004 -4.299 426 2HG LYS 59 1HG LYS 59 -0.343 -4.562 -5.218 427 1HD LYS 59 2HD LYS 59 2.205 -3.500 -6.382 428 2HD LYS 59 1HD LYS 59 1.667 -5.168 -6.113 429 1HE LYS 59 2HE LYS 59 -0.203 -4.845 -7.652 430 2HE LYS 59 1HE LYS 59 0.251 -3.157 -7.861 431 1HZ LYS 59 1HZ LYS 59 0.999 -4.502 -9.732 432 2HZ LYS 59 2HZ LYS 59 1.821 -5.514 -8.687 433 3HZ LYS 59 3HZ LYS 59 2.349 -3.918 -8.878 434 H ASP 60 H ASP 60 -0.480 -3.953 -2.434 435 HA ASP 60 HA ASP 60 0.429 -1.979 -0.491 436 1HB ASP 60 2HB ASP 60 -0.896 -3.980 0.320 437 2HB ASP 60 1HB ASP 60 0.451 -4.997 -0.186 438 H ALA 61 H ALA 61 2.385 -1.455 -0.225 439 HA ALA 61 HA ALA 61 4.365 -2.831 -1.907 440 1HB ALA 61 1HB ALA 61 3.813 -0.565 -2.608 441 2HB ALA 61 2HB ALA 61 5.502 -0.704 -2.115 442 3HB ALA 61 3HB ALA 61 4.327 0.047 -1.037 443 H SER 62 H SER 62 3.700 -3.315 1.083 444 HA SER 62 HA SER 62 5.707 -2.193 2.632 445 1HB SER 62 2HB SER 62 5.362 -4.152 4.198 446 2HB SER 62 1HB SER 62 3.918 -3.239 3.772 447 HG SER 62 HG SER 62 3.322 -4.818 2.363 448 H ARG 63 H ARG 63 5.870 -5.233 0.849 449 HA ARG 63 HA ARG 63 8.506 -5.900 1.695 450 1HB ARG 63 2HB ARG 63 6.882 -7.499 0.731 451 2HB ARG 63 1HB ARG 63 7.055 -6.702 -0.819 452 1HG ARG 63 2HG ARG 63 9.456 -7.346 -0.829 453 2HG ARG 63 1HG ARG 63 9.177 -8.240 0.670 454 1HD ARG 63 2HD ARG 63 7.373 -9.489 -0.526 455 2HD ARG 63 1HD ARG 63 7.909 -8.727 -2.016 456 HE ARG 63 HE ARG 63 9.865 -10.188 -0.463 457 1HH1 ARG 63 1HH1 ARG 63 7.810 -10.094 -3.390 458 2HH1 ARG 63 2HH1 ARG 63 8.467 -11.479 -4.075 459 1HH2 ARG 63 1HH2 ARG 63 10.736 -12.159 -1.431 460 2HH2 ARG 63 2HH2 ARG 63 10.142 -12.700 -2.931 461 H ALA 64 H ALA 64 7.213 -3.892 -0.840 462 HA ALA 64 HA ALA 64 9.540 -3.904 -2.533 463 1HB ALA 64 1HB ALA 64 8.372 -2.107 -3.741 464 2HB ALA 64 2HB ALA 64 7.098 -2.135 -2.511 465 3HB ALA 64 3HB ALA 64 7.397 -3.550 -3.528 466 H LEU 65 H LEU 65 8.157 -1.995 -0.088 467 HA LEU 65 HA LEU 65 9.868 0.227 -0.230 468 1HB LEU 65 2HB LEU 65 8.227 -0.976 1.924 469 2HB LEU 65 1HB LEU 65 9.071 0.544 2.097 470 HG LEU 65 HG LEU 65 6.833 -0.053 0.157 471 1HD1 LEU 65 1HD1 LEU 65 6.960 1.709 2.589 472 2HD1 LEU 65 2HD1 LEU 65 6.077 0.197 2.424 473 3HD1 LEU 65 3HD1 LEU 65 5.630 1.591 1.446 474 1HD2 LEU 65 1HD2 LEU 65 8.449 2.351 0.692 475 2HD2 LEU 65 2HD2 LEU 65 6.965 2.334 -0.273 476 3HD2 LEU 65 3HD2 LEU 65 8.418 1.449 -0.834 477 H GLY 66 H GLY 66 10.170 -2.887 1.270 478 1HA GLY 66 2HA GLY 66 12.499 -2.050 2.757 479 2HA GLY 66 1HA GLY 66 11.892 -3.663 2.667 480 H LYS 67 H LYS 67 11.802 -3.541 -0.255 481 HA LYS 67 HA LYS 67 14.538 -4.424 -0.704 482 1HB LYS 67 2HB LYS 67 12.204 -4.324 -2.603 483 2HB LYS 67 1HB LYS 67 13.697 -5.201 -2.849 484 1HG LYS 67 2HG LYS 67 11.666 -5.748 -0.708 485 2HG LYS 67 1HG LYS 67 11.803 -6.653 -2.203 486 1HD LYS 67 2HD LYS 67 13.860 -6.460 0.014 487 2HD LYS 67 1HD LYS 67 12.854 -7.853 -0.363 488 1HE LYS 67 2HE LYS 67 13.901 -8.032 -2.535 489 2HE LYS 67 1HE LYS 67 14.952 -6.660 -2.166 490 1HZ LYS 67 1HZ LYS 67 14.924 -9.325 -0.868 491 2HZ LYS 67 2HZ LYS 67 15.621 -8.002 -0.170 492 3HZ LYS 67 3HZ LYS 67 16.230 -8.566 -1.659 493 H MET 68 H MET 68 12.439 -1.834 -1.540 494 HA MET 68 HA MET 68 12.609 0.105 -2.545 495 1HB MET 68 2HB MET 68 15.600 -0.382 -2.810 496 2HB MET 68 1HB MET 68 14.789 1.148 -3.123 497 1HG MET 68 2HG MET 68 14.105 1.132 -0.702 498 2HG MET 68 1HG MET 68 15.098 -0.287 -0.528 499 1HE MET 68 1HE MET 68 17.599 0.250 -2.394 500 2HE MET 68 2HE MET 68 17.726 -0.384 -0.754 501 3HE MET 68 3HE MET 68 18.719 0.987 -1.251 502 H SER 69 H SER 69 11.417 -1.381 -3.839 503 HA SER 69 HA SER 69 12.407 -1.483 -6.593 504 1HB SER 69 2HB SER 69 11.409 -3.857 -5.016 505 2HB SER 69 1HB SER 69 11.839 -3.848 -6.724 506 HG SER 69 HG SER 69 13.858 -2.839 -5.362 507 H LYS 70 H LYS 70 10.848 -1.940 -8.037 508 HA LYS 70 HA LYS 70 8.179 -1.004 -7.239 509 1HB LYS 70 2HB LYS 70 9.930 -0.347 -9.564 510 2HB LYS 70 1HB LYS 70 8.238 0.083 -9.520 511 1HG LYS 70 2HG LYS 70 8.511 1.582 -7.821 512 2HG LYS 70 1HG LYS 70 9.989 0.839 -7.237 513 1HD LYS 70 2HD LYS 70 11.156 1.592 -9.162 514 2HD LYS 70 1HD LYS 70 9.687 2.262 -9.848 515 1HE LYS 70 2HE LYS 70 9.573 3.816 -7.890 516 2HE LYS 70 1HE LYS 70 11.066 3.106 -7.280 517 1HZ LYS 70 1HZ LYS 70 11.582 5.113 -8.364 518 2HZ LYS 70 2HZ LYS 70 10.655 4.753 -9.684 519 3HZ LYS 70 3HZ LYS 70 12.113 3.901 -9.439 520 H ASN 71 H ASN 71 10.105 -3.221 -8.964 521 HA ASN 71 HA ASN 71 8.293 -4.389 -10.701 522 1HB ASN 71 2HB ASN 71 9.452 -6.540 -10.156 523 2HB ASN 71 1HB ASN 71 10.510 -5.276 -10.868 524 1HD2 ASN 71 1HD2 ASN 71 9.848 -7.382 -8.294 525 2HD2 ASN 71 2HD2 ASN 71 11.151 -6.872 -7.243 526 H GLU 72 H GLU 72 6.815 -5.864 -10.621 527 HA GLU 72 HA GLU 72 5.014 -5.758 -8.526 528 1HB GLU 72 2HB GLU 72 3.960 -7.671 -9.666 529 2HB GLU 72 1HB GLU 72 4.178 -6.226 -10.675 530 1HG GLU 72 2HG GLU 72 6.111 -7.316 -11.689 531 2HG GLU 72 1HG GLU 72 5.886 -8.699 -10.617 532 H GLU 73 H GLU 73 7.571 -8.032 -9.060 533 HA GLU 73 HA GLU 73 6.830 -10.121 -7.369 534 1HB GLU 73 2HB GLU 73 8.742 -10.268 -8.797 535 2HB GLU 73 1HB GLU 73 9.539 -8.950 -7.979 536 1HG GLU 73 2HG GLU 73 10.556 -11.010 -7.314 537 2HG GLU 73 1HG GLU 73 9.692 -10.254 -5.980 538 H ASP 74 H ASP 74 8.742 -7.212 -6.592 539 HA ASP 74 HA ASP 74 8.755 -8.009 -3.854 540 1HB ASP 74 2HB ASP 74 9.971 -5.599 -5.179 541 2HB ASP 74 1HB ASP 74 10.081 -5.928 -3.451 542 H VAL 75 H VAL 75 6.804 -6.010 -5.777 543 HA VAL 75 HA VAL 75 5.829 -4.592 -3.410 544 HB VAL 75 HB VAL 75 4.352 -4.675 -6.058 545 1HG1 VAL 75 1HG1 VAL 75 3.626 -2.423 -5.404 546 2HG1 VAL 75 2HG1 VAL 75 4.581 -2.546 -3.945 547 3HG1 VAL 75 3HG1 VAL 75 3.198 -3.626 -4.181 548 1HG2 VAL 75 1HG2 VAL 75 5.562 -2.702 -6.793 549 2HG2 VAL 75 2HG2 VAL 75 6.631 -4.101 -6.604 550 3HG2 VAL 75 3HG2 VAL 75 6.619 -2.819 -5.382 551 H SER 76 H SER 76 4.897 -5.785 -1.972 552 HA SER 76 HA SER 76 2.799 -7.647 -2.689 553 1HB SER 76 2HB SER 76 4.989 -8.857 -2.895 554 2HB SER 76 1HB SER 76 5.322 -8.439 -1.221 555 HG SER 76 HG SER 76 3.546 -10.310 -2.257 556 HA PRO 77 HA PRO 77 1.400 -6.078 1.278 557 1HB PRO 77 2HB PRO 77 -0.518 -7.837 1.877 558 2HB PRO 77 1HB PRO 77 -0.668 -6.779 0.471 559 1HG PRO 77 2HG PRO 77 0.177 -9.646 0.594 560 2HG PRO 77 1HG PRO 77 -0.939 -8.861 -0.536 561 1HD PRO 77 2HD PRO 77 1.676 -9.398 -1.112 562 2HD PRO 77 1HD PRO 77 0.766 -8.076 -1.856 563 H SER 78 H SER 78 3.609 -8.251 1.231 564 HA SER 78 HA SER 78 3.733 -8.702 4.117 565 1HB SER 78 2HB SER 78 2.495 -10.729 2.961 566 2HB SER 78 1HB SER 78 4.088 -10.895 2.210 567 HG SER 78 HG SER 78 3.823 -12.177 4.146 568 H LEU 79 H LEU 79 5.601 -9.010 4.791 569 HA LEU 79 HA LEU 79 7.679 -7.829 3.315 570 1HB LEU 79 2HB LEU 79 7.489 -9.175 5.981 571 2HB LEU 79 1HB LEU 79 8.995 -8.580 5.340 572 HG LEU 79 HG LEU 79 7.981 -7.038 6.989 573 1HD1 LEU 79 1HD1 LEU 79 8.152 -5.039 5.738 574 2HD1 LEU 79 2HD1 LEU 79 8.052 -5.925 4.214 575 3HD1 LEU 79 3HD1 LEU 79 9.441 -6.153 5.297 576 1HD2 LEU 79 1HD2 LEU 79 5.789 -6.831 4.950 577 2HD2 LEU 79 2HD2 LEU 79 6.015 -5.686 6.260 578 3HD2 LEU 79 3HD2 LEU 79 5.612 -7.391 6.616 579 H GLU 80 H GLU 80 7.636 -10.950 4.939 580 HA GLU 80 HA GLU 80 8.670 -12.865 4.595 581 1HB GLU 80 2HB GLU 80 7.069 -13.392 3.191 582 2HB GLU 80 1HB GLU 80 7.618 -12.380 1.821 583 1HG GLU 80 2HG GLU 80 9.543 -13.918 1.662 584 2HG GLU 80 1HG GLU 80 8.864 -14.888 2.954 585 H GLY 81 H GLY 81 10.641 -12.528 5.193 586 1HA GLY 81 2HA GLY 81 12.581 -13.567 4.528 587 2HA GLY 81 1HA GLY 81 12.477 -12.825 2.946 588 H LEU 82 H LEU 82 11.504 -10.409 4.284 589 HA LEU 82 HA LEU 82 13.870 -8.999 4.265 590 1HB LEU 82 2HB LEU 82 11.073 -8.326 4.920 591 2HB LEU 82 1HB LEU 82 12.320 -7.181 5.343 592 HG LEU 82 HG LEU 82 13.024 -7.130 2.944 593 1HD1 LEU 82 1HD1 LEU 82 12.431 -9.224 2.272 594 2HD1 LEU 82 2HD1 LEU 82 11.610 -8.002 1.262 595 3HD1 LEU 82 3HD1 LEU 82 10.697 -8.912 2.496 596 1HD2 LEU 82 1HD2 LEU 82 10.117 -6.502 3.343 597 2HD2 LEU 82 2HD2 LEU 82 11.162 -5.893 2.056 598 3HD2 LEU 82 3HD2 LEU 82 11.477 -5.441 3.738 599 H THR 83 H THR 83 15.301 -8.815 5.534 600 HA THR 83 HA THR 83 15.086 -9.551 8.328 601 HB THR 83 HB THR 83 17.059 -10.298 7.002 602 HG1 THR 83 1HG THR 83 17.310 -9.828 9.296 603 1HG2 THR 83 1HG2 THR 83 18.759 -8.683 6.259 604 2HG2 THR 83 2HG2 THR 83 17.731 -7.362 6.809 605 3HG2 THR 83 3HG2 THR 83 17.210 -8.377 5.467 606 H GLU 84 H GLU 84 16.639 -7.835 9.709 607 HA GLU 84 HA GLU 84 15.013 -5.646 10.211 608 1HB GLU 84 2HB GLU 84 16.813 -6.515 11.738 609 2HB GLU 84 1HB GLU 84 17.988 -5.692 10.716 610 1HG GLU 84 2HG GLU 84 16.626 -3.576 11.144 611 2HG GLU 84 1HG GLU 84 15.846 -4.488 12.425 612 H LYS 85 H LYS 85 17.896 -5.894 8.206 613 HA LYS 85 HA LYS 85 18.459 -3.271 7.496 614 1HB LYS 85 2HB LYS 85 19.759 -5.217 6.776 615 2HB LYS 85 1HB LYS 85 18.436 -5.710 5.735 616 1HG LYS 85 2HG LYS 85 18.715 -3.507 4.541 617 2HG LYS 85 1HG LYS 85 20.221 -3.318 5.440 618 1HD LYS 85 2HD LYS 85 19.495 -5.581 3.610 619 2HD LYS 85 1HD LYS 85 20.608 -4.272 3.224 620 1HE LYS 85 2HE LYS 85 22.097 -4.999 5.061 621 2HE LYS 85 1HE LYS 85 21.001 -6.334 5.410 622 1HZ LYS 85 1HZ LYS 85 22.468 -5.915 2.873 623 2HZ LYS 85 2HZ LYS 85 21.444 -7.222 3.206 624 3HZ LYS 85 3HZ LYS 85 22.871 -7.033 4.057 625 H GLU 86 H GLU 86 16.277 -5.563 5.808 626 HA GLU 86 HA GLU 86 15.491 -3.721 3.888 627 1HB GLU 86 2HB GLU 86 14.514 -6.350 4.822 628 2HB GLU 86 1HB GLU 86 13.916 -5.508 3.397 629 1HG GLU 86 2HG GLU 86 16.156 -5.597 2.399 630 2HG GLU 86 1HG GLU 86 16.808 -6.294 3.875 631 H ILE 87 H ILE 87 14.072 -5.010 6.841 632 HA ILE 87 HA ILE 87 11.643 -3.683 6.485 633 HB ILE 87 HB ILE 87 12.905 -4.489 9.114 634 1HG1 ILE 87 2HG1 ILE 87 10.914 -5.900 7.307 635 2HG1 ILE 87 1HG1 ILE 87 12.550 -6.383 7.627 636 1HG2 ILE 87 1HG2 ILE 87 11.233 -2.785 9.339 637 2HG2 ILE 87 2HG2 ILE 87 10.565 -4.349 9.919 638 3HG2 ILE 87 3HG2 ILE 87 10.164 -3.716 8.293 639 1HD1 ILE 87 1HD1 ILE 87 10.399 -6.199 9.702 640 2HD1 ILE 87 2HD1 ILE 87 12.041 -6.772 9.965 641 3HD1 ILE 87 3HD1 ILE 87 10.933 -7.700 8.935 642 H ASN 88 H ASN 88 14.618 -2.662 8.125 643 HA ASN 88 HA ASN 88 13.813 -0.220 9.192 644 1HB ASN 88 2HB ASN 88 16.405 -0.991 7.910 645 2HB ASN 88 1HB ASN 88 16.132 0.568 8.668 646 1HD2 ASN 88 1HD2 ASN 88 18.064 -1.488 9.322 647 2HD2 ASN 88 2HD2 ASN 88 17.789 -2.023 10.927 648 H THR 89 H THR 89 14.630 -1.091 5.963 649 HA THR 89 HA THR 89 14.847 1.486 4.883 650 HB THR 89 HB THR 89 14.137 -1.174 3.659 651 HG1 THR 89 1HG THR 89 16.206 -1.198 4.664 652 1HG2 THR 89 1HG2 THR 89 15.150 1.358 2.432 653 2HG2 THR 89 2HG2 THR 89 13.525 0.616 2.268 654 3HG2 THR 89 3HG2 THR 89 14.936 -0.208 1.599 655 H LEU 90 H LEU 90 12.208 -0.893 4.928 656 HA LEU 90 HA LEU 90 10.215 0.717 3.688 657 1HB LEU 90 2HB LEU 90 9.530 -1.388 3.535 658 2HB LEU 90 1HB LEU 90 10.431 -1.921 4.896 659 HG LEU 90 HG LEU 90 8.460 -0.669 6.178 660 1HD1 LEU 90 1HD1 LEU 90 7.374 0.242 4.308 661 2HD1 LEU 90 2HD1 LEU 90 6.346 -0.957 5.110 662 3HD1 LEU 90 3HD1 LEU 90 7.181 -1.370 3.615 663 1HD2 LEU 90 1HD2 LEU 90 8.202 -3.313 4.897 664 2HD2 LEU 90 2HD2 LEU 90 7.264 -2.751 6.300 665 3HD2 LEU 90 3HD2 LEU 90 9.032 -2.982 6.418 666 H ASN 91 H ASN 91 11.224 0.148 6.913 667 HA ASN 91 HA ASN 91 9.056 1.049 8.396 668 1HB ASN 91 2HB ASN 91 11.338 -0.126 9.002 669 2HB ASN 91 1HB ASN 91 11.861 1.520 9.309 670 1HD2 ASN 91 1HD2 ASN 91 9.871 -1.079 10.260 671 2HD2 ASN 91 2HD2 ASN 91 9.411 -0.541 11.812 672 H ASP 92 H ASP 92 11.725 2.772 6.893 673 HA ASP 92 HA ASP 92 11.024 5.354 7.932 674 1HB ASP 92 2HB ASP 92 13.341 4.890 7.185 675 2HB ASP 92 1HB ASP 92 12.755 4.602 5.559 676 H TRP 93 H TRP 93 10.278 3.507 5.027 677 HA TRP 93 HA TRP 93 8.963 5.545 3.563 678 1HB TRP 93 2HB TRP 93 8.990 2.579 3.473 679 2HB TRP 93 1HB TRP 93 7.908 3.454 2.425 680 HD1 TRP 93 HD TRP 93 11.422 2.191 2.680 681 HE1 TRP 93 1HE TRP 93 12.817 2.969 0.655 682 HE3 TRP 93 3HE TRP 93 8.207 5.663 0.772 683 HZ2 TRP 93 2HZ TRP 93 12.578 4.802 -1.466 684 HZ3 TRP 93 3HZ TRP 93 8.861 6.889 -1.264 685 HH2 TRP 93 HH TRP 93 11.003 6.463 -2.351 686 H GLU 94 H GLU 94 7.780 3.098 5.789 687 HA GLU 94 HA GLU 94 5.053 3.395 5.566 688 1HB GLU 94 2HB GLU 94 6.675 3.085 8.098 689 2HB GLU 94 1HB GLU 94 4.937 2.877 8.006 690 1HG GLU 94 2HG GLU 94 5.217 1.004 6.514 691 2HG GLU 94 1HG GLU 94 6.967 1.214 6.524 692 H THR 95 H THR 95 7.214 5.200 7.577 693 HA THR 95 HA THR 95 5.468 6.924 8.888 694 HB THR 95 HB THR 95 8.306 7.401 8.056 695 HG1 THR 95 1HG THR 95 8.802 5.996 9.667 696 1HG2 THR 95 1HG2 THR 95 7.221 9.397 9.027 697 2HG2 THR 95 2HG2 THR 95 8.428 8.757 10.139 698 3HG2 THR 95 3HG2 THR 95 6.715 8.453 10.430 699 H LYS 96 H LYS 96 6.737 7.120 5.656 700 HA LYS 96 HA LYS 96 6.545 9.983 5.420 701 1HB LYS 96 2HB LYS 96 6.925 7.848 3.323 702 2HB LYS 96 1HB LYS 96 7.221 9.575 3.121 703 1HG LYS 96 2HG LYS 96 8.603 7.886 5.145 704 2HG LYS 96 1HG LYS 96 9.315 8.140 3.585 705 1HD LYS 96 2HD LYS 96 9.274 10.593 4.057 706 2HD LYS 96 1HD LYS 96 8.621 10.222 5.651 707 1HE LYS 96 2HE LYS 96 10.584 8.971 6.235 708 2HE LYS 96 1HE LYS 96 11.232 9.156 4.610 709 1HZ LYS 96 1HZ LYS 96 11.404 11.531 4.991 710 2HZ LYS 96 2HZ LYS 96 12.250 10.704 6.187 711 3HZ LYS 96 3HZ LYS 96 10.748 11.374 6.532 712 H PHE 97 H PHE 97 4.785 7.193 4.583 713 HA PHE 97 HA PHE 97 2.707 8.653 3.272 714 1HB PHE 97 2HB PHE 97 3.135 5.847 4.077 715 2HB PHE 97 1HB PHE 97 1.635 6.348 3.347 716 HD1 PHE 97 1HD PHE 97 5.329 6.358 2.717 717 HD2 PHE 97 2HD PHE 97 1.437 6.358 1.004 718 HE1 PHE 97 1HE PHE 97 6.310 6.081 0.480 719 HE2 PHE 97 2HE PHE 97 2.420 6.080 -1.227 720 HZ PHE 97 HZ PHE 97 4.855 5.943 -1.490 721 H GLU 98 H GLU 98 3.136 6.810 6.224 722 HA GLU 98 HA GLU 98 0.559 6.784 7.236 723 1HB GLU 98 2HB GLU 98 2.883 5.629 7.843 724 2HB GLU 98 1HB GLU 98 2.909 6.886 9.058 725 1HG GLU 98 2HG GLU 98 0.818 4.736 8.738 726 2HG GLU 98 1HG GLU 98 2.092 4.785 9.935 727 H ALA 99 H ALA 99 2.940 9.400 7.369 728 HA ALA 99 HA ALA 99 1.524 10.632 9.602 729 1HB ALA 99 1HB ALA 99 3.965 10.509 9.718 730 2HB ALA 99 2HB ALA 99 3.382 12.176 9.713 731 3HB ALA 99 3HB ALA 99 4.065 11.475 8.244 732 H LYS 100 H LYS 100 1.266 10.603 6.346 733 HA LYS 100 HA LYS 100 0.179 13.311 6.401 734 1HB LYS 100 2HB LYS 100 2.009 12.120 4.461 735 2HB LYS 100 1HB LYS 100 0.879 13.181 3.741 736 1HG LYS 100 2HG LYS 100 2.677 14.552 4.160 737 2HG LYS 100 1HG LYS 100 1.687 14.843 5.588 738 1HD LYS 100 2HD LYS 100 3.783 14.484 6.454 739 2HD LYS 100 1HD LYS 100 2.983 12.949 6.628 740 1HE LYS 100 2HE LYS 100 5.160 12.541 5.775 741 2HE LYS 100 1HE LYS 100 3.986 12.127 4.571 742 1HZ LYS 100 1HZ LYS 100 5.573 14.637 4.604 743 2HZ LYS 100 2HZ LYS 100 4.396 14.285 3.471 744 3HZ LYS 100 3HZ LYS 100 5.795 13.361 3.534 745 H TYR 101 H TYR 101 0.213 10.432 4.581 746 HA TYR 101 HA TYR 101 -2.449 10.889 3.592 747 1HB TYR 101 2HB TYR 101 -0.861 8.313 3.471 748 2HB TYR 101 1HB TYR 101 -2.341 8.695 2.601 749 HD1 TYR 101 1HD TYR 101 -2.082 11.076 1.251 750 HD2 TYR 101 2HD TYR 101 1.013 8.337 2.199 751 HE1 TYR 101 1HE TYR 101 -0.758 11.926 -0.641 752 HE2 TYR 101 2HE TYR 101 2.349 9.172 0.333 753 HH TYR 101 HH TYR 101 1.619 12.023 -1.292 754 HA PRO 102 HA PRO 102 -4.506 9.151 7.083 755 1HB PRO 102 2HB PRO 102 -6.979 9.070 6.125 756 2HB PRO 102 1HB PRO 102 -6.159 10.621 6.362 757 1HG PRO 102 2HG PRO 102 -6.476 9.021 3.849 758 2HG PRO 102 1HG PRO 102 -6.770 10.752 4.096 759 1HD PRO 102 2HD PRO 102 -4.455 9.804 3.032 760 2HD PRO 102 1HD PRO 102 -4.539 11.264 4.044 761 H VAL 103 H VAL 103 -4.763 7.169 7.794 762 HA VAL 103 HA VAL 103 -4.881 4.875 6.058 763 HB VAL 103 HB VAL 103 -5.408 4.972 9.067 764 1HG1 VAL 103 1HG1 VAL 103 -6.401 3.001 8.019 765 2HG1 VAL 103 2HG1 VAL 103 -5.022 2.549 9.023 766 3HG1 VAL 103 3HG1 VAL 103 -4.853 2.607 7.271 767 1HG2 VAL 103 1HG2 VAL 103 -3.154 4.079 9.319 768 2HG2 VAL 103 2HG2 VAL 103 -3.117 5.643 8.501 769 3HG2 VAL 103 3HG2 VAL 103 -2.931 4.147 7.576 770 H VAL 104 H VAL 104 -6.602 4.712 4.896 771 HA VAL 104 HA VAL 104 -9.174 5.420 6.038 772 HB VAL 104 HB VAL 104 -10.122 5.066 3.749 773 1HG1 VAL 104 1HG1 VAL 104 -9.070 7.052 2.761 774 2HG1 VAL 104 2HG1 VAL 104 -7.751 6.927 3.927 775 3HG1 VAL 104 3HG1 VAL 104 -9.388 7.277 4.482 776 1HG2 VAL 104 1HG2 VAL 104 -8.576 4.820 1.868 777 2HG2 VAL 104 2HG2 VAL 104 -8.487 3.417 2.940 778 3HG2 VAL 104 3HG2 VAL 104 -7.234 4.661 2.996 779 H GLY 105 H GLY 105 -7.345 2.619 5.570 780 1HA GLY 105 2HA GLY 105 -9.115 1.066 6.983 781 2HA GLY 105 1HA GLY 105 -9.456 0.739 5.298 782 H ARG 106 H ARG 106 -8.783 -1.346 5.437 783 HA ARG 106 HA ARG 106 -5.915 -1.867 6.037 784 1HB ARG 106 2HB ARG 106 -6.630 -4.168 6.496 785 2HB ARG 106 1HB ARG 106 -7.258 -3.122 7.713 786 1HG ARG 106 2HG ARG 106 -9.419 -3.135 6.673 787 2HG ARG 106 1HG ARG 106 -8.720 -4.016 5.304 788 1HD ARG 106 2HD ARG 106 -9.911 -5.518 6.766 789 2HD ARG 106 1HD ARG 106 -8.159 -5.792 6.653 790 HE ARG 106 HE ARG 106 -8.490 -4.253 8.876 791 1HH1 ARG 106 1HH1 ARG 106 -9.911 -7.372 7.829 792 2HH1 ARG 106 2HH1 ARG 106 -9.953 -7.989 9.415 793 1HH2 ARG 106 1HH2 ARG 106 -8.620 -5.138 11.013 794 2HH2 ARG 106 2HH2 ARG 106 -9.205 -6.714 11.267 795 H VAL 107 H VAL 107 -4.980 -3.509 4.814 796 HA VAL 107 HA VAL 107 -6.665 -4.529 2.709 797 HB VAL 107 HB VAL 107 -4.804 -3.098 1.774 798 1HG1 VAL 107 1HG1 VAL 107 -2.570 -4.053 1.700 799 2HG1 VAL 107 2HG1 VAL 107 -3.102 -5.229 2.927 800 3HG1 VAL 107 3HG1 VAL 107 -3.124 -3.477 3.278 801 1HG2 VAL 107 1HG2 VAL 107 -5.881 -4.765 0.469 802 2HG2 VAL 107 2HG2 VAL 107 -4.838 -5.993 1.157 803 3HG2 VAL 107 3HG2 VAL 107 -4.146 -4.757 0.068 804 H VAL 108 H VAL 108 -6.822 -6.587 2.578 805 HA VAL 108 HA VAL 108 -5.383 -8.190 4.553 806 HB VAL 108 HB VAL 108 -7.478 -9.593 4.670 807 1HG1 VAL 108 1HG1 VAL 108 -7.109 -7.604 6.150 808 2HG1 VAL 108 2HG1 VAL 108 -8.852 -7.846 5.723 809 3HG1 VAL 108 3HG1 VAL 108 -7.898 -6.677 4.866 810 1HG2 VAL 108 1HG2 VAL 108 -8.344 -9.000 2.391 811 2HG2 VAL 108 2HG2 VAL 108 -8.593 -7.366 3.113 812 3HG2 VAL 108 3HG2 VAL 108 -9.499 -8.718 3.735 813 H SER 109 H SER 109 -4.661 -10.262 3.876 814 HA SER 109 HA SER 109 -5.027 -10.807 1.072 815 1HB SER 109 2HB SER 109 -2.579 -10.853 0.679 816 2HB SER 109 1HB SER 109 -3.217 -9.275 1.193 817 HG SER 109 HG SER 109 -2.294 -11.072 3.068 Start of MODEL 3 1 1H MET 1 1HT MET 1 -18.769 -3.472 -7.884 2 2H MET 1 2HT MET 1 -17.999 -1.992 -8.094 3 3H MET 1 3HT MET 1 -19.308 -2.145 -7.020 4 HA MET 1 HA MET 1 -18.111 -3.600 -5.585 5 1HB MET 1 2HB MET 1 -15.756 -4.027 -5.927 6 2HB MET 1 1HB MET 1 -16.665 -4.618 -7.313 7 1HG MET 1 2HG MET 1 -16.005 -2.661 -8.602 8 2HG MET 1 1HG MET 1 -15.163 -2.004 -7.206 9 1HE MET 1 1HE MET 1 -12.229 -4.563 -6.767 10 2HE MET 1 2HE MET 1 -13.810 -4.671 -6.007 11 3HE MET 1 3HE MET 1 -13.000 -3.106 -6.139 12 H GLY 2 H GLY 2 -17.885 -0.514 -6.941 13 1HA GLY 2 2HA GLY 2 -15.670 0.565 -5.659 14 2HA GLY 2 1HA GLY 2 -17.006 1.443 -6.377 15 H HIS 3 H HIS 3 -15.420 0.578 -3.598 16 HA HIS 3 HA HIS 3 -17.580 1.260 -1.844 17 1HB HIS 3 2HB HIS 3 -14.672 0.709 -1.299 18 2HB HIS 3 1HB HIS 3 -15.705 1.401 -0.057 19 HD1 HIS 3 1HD HIS 3 -16.142 -0.433 1.524 20 HD2 HIS 3 2HD HIS 3 -16.470 -1.686 -2.423 21 HE1 HIS 3 1HE HIS 3 -16.931 -2.811 1.631 22 HE2 HIS 3 2HE HIS 3 -17.446 -3.375 -0.767 23 H HIS 4 H HIS 4 -18.205 3.155 -2.723 24 HA HIS 4 HA HIS 4 -16.415 5.423 -2.458 25 1HB HIS 4 2HB HIS 4 -19.287 5.310 -3.416 26 2HB HIS 4 1HB HIS 4 -18.278 6.748 -3.411 27 HD1 HIS 4 1HD HIS 4 -19.164 3.852 -5.459 28 HD2 HIS 4 2HD HIS 4 -16.027 6.570 -5.259 29 HE1 HIS 4 1HE HIS 4 -17.961 3.657 -7.639 30 HE2 HIS 4 2HE HIS 4 -16.314 5.538 -7.601 31 H HIS 5 H HIS 5 -18.937 3.804 -0.883 32 HA HIS 5 HA HIS 5 -19.319 5.927 1.053 33 1HB HIS 5 2HB HIS 5 -20.512 3.143 0.932 34 2HB HIS 5 1HB HIS 5 -20.972 4.386 2.083 35 HD1 HIS 5 1HD HIS 5 -21.690 3.106 -1.241 36 HD2 HIS 5 2HD HIS 5 -22.334 6.636 0.832 37 HE1 HIS 5 1HE HIS 5 -23.434 4.349 -2.550 38 HE2 HIS 5 2HE HIS 5 -24.017 6.289 -1.088 39 H HIS 6 H HIS 6 -17.493 6.054 2.082 40 HA HIS 6 HA HIS 6 -16.366 3.617 3.196 41 1HB HIS 6 2HB HIS 6 -14.168 4.823 3.317 42 2HB HIS 6 1HB HIS 6 -14.763 4.558 1.690 43 HD1 HIS 6 1HD HIS 6 -13.229 7.066 3.689 44 HD2 HIS 6 2HD HIS 6 -16.078 7.085 0.679 45 HE1 HIS 6 1HE HIS 6 -13.266 9.414 2.803 46 HE2 HIS 6 2HE HIS 6 -15.175 9.440 1.190 47 H HIS 7 H HIS 7 -16.923 3.312 5.093 48 HA HIS 7 HA HIS 7 -17.649 5.583 6.786 49 1HB HIS 7 2HB HIS 7 -19.334 3.814 6.379 50 2HB HIS 7 1HB HIS 7 -18.259 2.637 7.111 51 HD1 HIS 7 1HD HIS 7 -18.525 2.290 9.581 52 HD2 HIS 7 2HD HIS 7 -20.291 5.828 8.284 53 HE1 HIS 7 1HE HIS 7 -19.819 3.154 11.532 54 HE2 HIS 7 2HE HIS 7 -21.132 5.066 10.594 55 H HIS 8 H HIS 8 -15.792 6.259 7.636 56 HA HIS 8 HA HIS 8 -13.979 6.430 8.883 57 1HB HIS 8 2HB HIS 8 -15.076 4.005 10.297 58 2HB HIS 8 1HB HIS 8 -13.646 4.869 10.840 59 HD1 HIS 8 1HD HIS 8 -14.016 7.276 11.767 60 HD2 HIS 8 2HD HIS 8 -17.495 5.206 10.871 61 HE1 HIS 8 1HE HIS 8 -15.867 8.564 12.869 62 HE2 HIS 8 2HE HIS 8 -17.964 7.432 12.050 63 H LEU 9 H LEU 9 -14.062 2.914 8.661 64 HA LEU 9 HA LEU 9 -11.620 3.098 7.159 65 1HB LEU 9 2HB LEU 9 -10.485 1.347 8.463 66 2HB LEU 9 1HB LEU 9 -10.801 2.758 9.430 67 HG LEU 9 HG LEU 9 -11.039 0.893 10.818 68 1HD1 LEU 9 1HD1 LEU 9 -12.712 2.471 11.300 69 2HD1 LEU 9 2HD1 LEU 9 -13.339 0.838 11.569 70 3HD1 LEU 9 3HD1 LEU 9 -13.800 1.737 10.121 71 1HD2 LEU 9 1HD2 LEU 9 -12.837 -0.403 8.779 72 2HD2 LEU 9 2HD2 LEU 9 -12.490 -1.050 10.383 73 3HD2 LEU 9 3HD2 LEU 9 -11.193 -0.887 9.197 74 H GLU 10 H GLU 10 -11.421 1.721 5.589 75 HA GLU 10 HA GLU 10 -13.669 -0.111 5.198 76 1HB GLU 10 2HB GLU 10 -11.865 1.237 3.224 77 2HB GLU 10 1HB GLU 10 -13.015 -0.018 2.798 78 1HG GLU 10 2HG GLU 10 -13.648 2.632 4.014 79 2HG GLU 10 1HG GLU 10 -13.854 2.202 2.317 80 H GLU 11 H GLU 11 -13.280 -2.252 5.186 81 HA GLU 11 HA GLU 11 -10.646 -3.165 4.966 82 1HB GLU 11 2HB GLU 11 -12.060 -4.308 6.484 83 2HB GLU 11 1HB GLU 11 -13.315 -4.494 5.263 84 1HG GLU 11 2HG GLU 11 -12.049 -5.939 4.020 85 2HG GLU 11 1HG GLU 11 -10.589 -5.753 4.935 86 H PHE 12 H PHE 12 -9.768 -3.716 3.202 87 HA PHE 12 HA PHE 12 -11.387 -4.212 0.842 88 1HB PHE 12 2HB PHE 12 -8.731 -2.929 1.223 89 2HB PHE 12 1HB PHE 12 -9.315 -3.723 -0.224 90 HD1 PHE 12 1HD PHE 12 -9.585 -0.740 1.942 91 HD2 PHE 12 2HD PHE 12 -11.221 -2.703 -1.475 92 HE1 PHE 12 1HE PHE 12 -10.743 1.309 1.316 93 HE2 PHE 12 2HE PHE 12 -12.389 -0.635 -2.087 94 HZ PHE 12 HZ PHE 12 -12.154 1.364 -0.707 95 H THR 13 H THR 13 -10.715 -5.958 -0.399 96 HA THR 13 HA THR 13 -8.818 -7.712 0.954 97 HB THR 13 HB THR 13 -10.426 -8.459 -1.458 98 HG1 THR 13 1HG THR 13 -11.333 -8.211 1.270 99 1HG2 THR 13 1HG2 THR 13 -9.574 -9.924 1.013 100 2HG2 THR 13 2HG2 THR 13 -8.724 -9.883 -0.523 101 3HG2 THR 13 3HG2 THR 13 -10.346 -10.621 -0.434 102 H ALA 14 H ALA 14 -7.146 -8.723 -0.476 103 HA ALA 14 HA ALA 14 -5.616 -6.796 -1.733 104 1HB ALA 14 1HB ALA 14 -5.423 -9.747 -2.215 105 2HB ALA 14 2HB ALA 14 -4.750 -8.882 -0.830 106 3HB ALA 14 3HB ALA 14 -4.159 -8.542 -2.457 107 H GLU 15 H GLU 15 -7.639 -9.229 -3.441 108 HA GLU 15 HA GLU 15 -6.768 -8.305 -5.998 109 1HB GLU 15 2HB GLU 15 -9.201 -9.920 -5.274 110 2HB GLU 15 1HB GLU 15 -8.596 -9.680 -6.892 111 1HG GLU 15 2HG GLU 15 -7.134 -11.094 -4.662 112 2HG GLU 15 1HG GLU 15 -7.927 -11.864 -6.036 113 H GLN 16 H GLN 16 -9.309 -7.545 -3.869 114 HA GLN 16 HA GLN 16 -10.788 -5.985 -5.714 115 1HB GLN 16 2HB GLN 16 -10.860 -6.230 -2.711 116 2HB GLN 16 1HB GLN 16 -11.865 -5.059 -3.531 117 1HG GLN 16 2HG GLN 16 -13.185 -7.058 -3.078 118 2HG GLN 16 1HG GLN 16 -12.911 -6.897 -4.803 119 1HE2 GLN 16 1HE2 GLN 16 -12.252 -8.790 -1.997 120 2HE2 GLN 16 2HE2 GLN 16 -11.541 -10.123 -2.831 121 H LEU 17 H LEU 17 -8.346 -5.308 -3.297 122 HA LEU 17 HA LEU 17 -8.302 -2.493 -3.412 123 1HB LEU 17 2HB LEU 17 -7.172 -4.189 -1.781 124 2HB LEU 17 1HB LEU 17 -5.892 -4.253 -2.959 125 HG LEU 17 HG LEU 17 -5.170 -2.809 -1.204 126 1HD1 LEU 17 1HD1 LEU 17 -4.814 -0.696 -2.149 127 2HD1 LEU 17 2HD1 LEU 17 -5.962 -1.091 -3.438 128 3HD1 LEU 17 3HD1 LEU 17 -4.469 -2.042 -3.241 129 1HD2 LEU 17 1HD2 LEU 17 -7.281 -2.329 -0.176 130 2HD2 LEU 17 2HD2 LEU 17 -7.710 -1.268 -1.527 131 3HD2 LEU 17 3HD2 LEU 17 -6.358 -0.855 -0.469 132 H SER 18 H SER 18 -6.680 -5.024 -5.299 133 HA SER 18 HA SER 18 -4.915 -3.412 -6.742 134 1HB SER 18 2HB SER 18 -6.109 -6.088 -7.455 135 2HB SER 18 1HB SER 18 -4.731 -5.346 -8.272 136 HG SER 18 HG SER 18 -4.217 -5.201 -5.730 137 H GLN 19 H GLN 19 -8.252 -3.539 -6.984 138 HA GLN 19 HA GLN 19 -8.186 -2.631 -9.745 139 1HB GLN 19 2HB GLN 19 -10.496 -3.471 -7.985 140 2HB GLN 19 1HB GLN 19 -10.658 -2.932 -9.655 141 1HG GLN 19 2HG GLN 19 -9.359 -4.783 -10.450 142 2HG GLN 19 1HG GLN 19 -8.989 -5.285 -8.805 143 1HE2 GLN 19 1HE2 GLN 19 -10.486 -6.370 -7.651 144 2HE2 GLN 19 2HE2 GLN 19 -11.939 -7.026 -8.321 145 H TYR 20 H TYR 20 -7.860 -1.347 -6.799 146 HA TYR 20 HA TYR 20 -9.106 1.223 -7.502 147 1HB TYR 20 2HB TYR 20 -8.090 0.136 -4.859 148 2HB TYR 20 1HB TYR 20 -8.559 1.811 -5.118 149 HD1 TYR 20 1HD TYR 20 -9.795 -1.651 -5.005 150 HD2 TYR 20 2HD TYR 20 -10.836 2.458 -5.100 151 HE1 TYR 20 1HE TYR 20 -12.104 -2.232 -4.441 152 HE2 TYR 20 2HE TYR 20 -13.160 1.890 -4.536 153 HH TYR 20 HH TYR 20 -14.018 -1.302 -3.547 154 H ASN 21 H ASN 21 -6.750 0.005 -8.630 155 HA ASN 21 HA ASN 21 -4.485 1.396 -7.608 156 1HB ASN 21 2HB ASN 21 -3.308 0.507 -9.561 157 2HB ASN 21 1HB ASN 21 -4.218 -0.753 -8.741 158 1HD2 ASN 21 1HD2 ASN 21 -3.256 -0.667 -11.414 159 2HD2 ASN 21 2HD2 ASN 21 -4.604 -0.888 -12.466 160 H GLY 22 H GLY 22 -7.054 2.168 -9.691 161 1HA GLY 22 2HA GLY 22 -7.582 4.404 -10.215 162 2HA GLY 22 1HA GLY 22 -5.888 4.817 -10.022 163 H THR 23 H THR 23 -6.384 2.092 -12.021 164 HA THR 23 HA THR 23 -5.633 3.739 -14.290 165 HB THR 23 HB THR 23 -4.548 1.556 -13.850 166 HG1 THR 23 1HG THR 23 -5.641 1.065 -16.349 167 1HG2 THR 23 1HG2 THR 23 -5.698 -0.526 -14.582 168 2HG2 THR 23 2HG2 THR 23 -7.187 0.405 -14.762 169 3HG2 THR 23 3HG2 THR 23 -6.445 0.223 -13.172 170 H ASP 24 H ASP 24 -8.421 2.626 -12.942 171 HA ASP 24 HA ASP 24 -9.913 2.546 -15.405 172 1HB ASP 24 2HB ASP 24 -10.579 1.351 -13.168 173 2HB ASP 24 1HB ASP 24 -10.993 2.943 -12.615 174 H GLU 25 H GLU 25 -11.912 4.189 -15.351 175 HA GLU 25 HA GLU 25 -10.390 6.573 -15.427 176 1HB GLU 25 2HB GLU 25 -11.763 5.838 -17.377 177 2HB GLU 25 1HB GLU 25 -13.192 6.234 -16.418 178 1HG GLU 25 2HG GLU 25 -12.406 8.505 -16.160 179 2HG GLU 25 1HG GLU 25 -10.939 7.923 -17.002 180 H SER 26 H SER 26 -10.169 6.859 -13.360 181 HA SER 26 HA SER 26 -10.430 8.201 -11.628 182 1HB SER 26 2HB SER 26 -11.629 9.755 -13.110 183 2HB SER 26 1HB SER 26 -13.136 8.927 -12.720 184 HG SER 26 HG SER 26 -11.433 10.430 -11.050 185 H LYS 27 H LYS 27 -10.323 6.217 -10.491 186 HA LYS 27 HA LYS 27 -12.622 6.159 -8.703 187 1HB LYS 27 2HB LYS 27 -10.872 3.737 -9.325 188 2HB LYS 27 1HB LYS 27 -12.134 3.784 -8.114 189 1HG LYS 27 2HG LYS 27 -13.651 4.361 -10.188 190 2HG LYS 27 1HG LYS 27 -12.341 3.591 -11.079 191 1HD LYS 27 2HD LYS 27 -13.964 2.370 -8.835 192 2HD LYS 27 1HD LYS 27 -14.043 1.943 -10.536 193 1HE LYS 27 2HE LYS 27 -11.621 1.572 -8.762 194 2HE LYS 27 1HE LYS 27 -12.793 0.316 -9.129 195 1HZ LYS 27 1HZ LYS 27 -11.081 1.695 -11.132 196 2HZ LYS 27 2HZ LYS 27 -12.167 0.418 -11.425 197 3HZ LYS 27 3HZ LYS 27 -10.817 0.169 -10.463 198 HA PRO 28 HA PRO 28 -9.684 7.278 -5.593 199 1HB PRO 28 2HB PRO 28 -10.544 4.974 -3.922 200 2HB PRO 28 1HB PRO 28 -10.526 6.695 -3.527 201 1HG PRO 28 2HG PRO 28 -12.823 5.457 -4.023 202 2HG PRO 28 1HG PRO 28 -12.535 7.104 -4.613 203 1HD PRO 28 2HD PRO 28 -12.430 4.514 -6.100 204 2HD PRO 28 1HD PRO 28 -13.088 6.082 -6.607 205 H ILE 29 H ILE 29 -7.600 6.774 -4.996 206 HA ILE 29 HA ILE 29 -6.624 4.200 -6.027 207 HB ILE 29 HB ILE 29 -4.946 6.722 -5.663 208 1HG1 ILE 29 2HG1 ILE 29 -4.822 6.730 -8.203 209 2HG1 ILE 29 1HG1 ILE 29 -6.177 5.617 -8.212 210 1HG2 ILE 29 1HG2 ILE 29 -3.677 4.662 -5.507 211 2HG2 ILE 29 2HG2 ILE 29 -3.273 5.516 -6.996 212 3HG2 ILE 29 3HG2 ILE 29 -4.340 4.115 -7.048 213 1HD1 ILE 29 1HD1 ILE 29 -6.907 7.849 -8.654 214 2HD1 ILE 29 2HD1 ILE 29 -6.122 8.432 -7.193 215 3HD1 ILE 29 3HD1 ILE 29 -7.520 7.348 -7.072 216 H TYR 30 H TYR 30 -5.606 2.878 -4.663 217 HA TYR 30 HA TYR 30 -4.843 3.924 -2.000 218 1HB TYR 30 2HB TYR 30 -6.361 1.371 -2.511 219 2HB TYR 30 1HB TYR 30 -5.752 1.935 -0.965 220 HD1 TYR 30 1HD TYR 30 -8.550 1.821 -3.086 221 HD2 TYR 30 2HD TYR 30 -6.632 4.286 -0.223 222 HE1 TYR 30 1HE TYR 30 -10.659 3.020 -2.718 223 HE2 TYR 30 2HE TYR 30 -8.737 5.494 0.152 224 HH TYR 30 HH TYR 30 -10.748 5.937 -0.970 225 H VAL 31 H VAL 31 -3.276 3.007 -0.962 226 HA VAL 31 HA VAL 31 -1.781 0.845 -2.264 227 HB VAL 31 HB VAL 31 0.288 1.794 -1.315 228 1HG1 VAL 31 1HG1 VAL 31 -1.072 3.715 -3.194 229 2HG1 VAL 31 2HG1 VAL 31 -0.129 2.270 -3.623 230 3HG1 VAL 31 3HG1 VAL 31 0.661 3.630 -2.849 231 1HG2 VAL 31 1HG2 VAL 31 -0.609 3.071 0.480 232 2HG2 VAL 31 2HG2 VAL 31 -1.399 4.171 -0.653 233 3HG2 VAL 31 3HG2 VAL 31 0.370 4.129 -0.549 234 H ALA 32 H ALA 32 -0.542 -0.409 -0.639 235 HA ALA 32 HA ALA 32 -1.627 -0.034 2.032 236 1HB ALA 32 1HB ALA 32 -2.876 -1.826 0.953 237 2HB ALA 32 2HB ALA 32 -1.905 -2.437 2.288 238 3HB ALA 32 3HB ALA 32 -1.380 -2.691 0.626 239 H ILE 33 H ILE 33 -0.273 -0.249 3.617 240 HA ILE 33 HA ILE 33 2.395 -1.405 3.156 241 HB ILE 33 HB ILE 33 1.796 1.095 4.805 242 1HG1 ILE 33 2HG1 ILE 33 3.292 0.863 2.199 243 2HG1 ILE 33 1HG1 ILE 33 1.720 1.617 2.397 244 1HG2 ILE 33 1HG2 ILE 33 4.245 1.306 5.006 245 2HG2 ILE 33 2HG2 ILE 33 4.433 -0.249 4.218 246 3HG2 ILE 33 3HG2 ILE 33 3.616 -0.145 5.789 247 1HD1 ILE 33 1HD1 ILE 33 3.469 3.295 2.277 248 2HD1 ILE 33 2HD1 ILE 33 4.309 2.519 3.616 249 3HD1 ILE 33 3HD1 ILE 33 2.748 3.291 3.894 250 H LYS 34 H LYS 34 2.454 -3.143 4.481 251 HA LYS 34 HA LYS 34 2.264 -4.497 6.332 252 1HB LYS 34 2HB LYS 34 1.430 -1.955 7.743 253 2HB LYS 34 1HB LYS 34 1.733 -3.480 8.554 254 1HG LYS 34 2HG LYS 34 3.750 -1.872 7.010 255 2HG LYS 34 1HG LYS 34 3.553 -1.838 8.759 256 1HD LYS 34 2HD LYS 34 4.054 -4.265 8.797 257 2HD LYS 34 1HD LYS 34 4.381 -4.184 7.063 258 1HE LYS 34 2HE LYS 34 6.455 -4.021 8.354 259 2HE LYS 34 1HE LYS 34 6.128 -2.536 7.461 260 1HZ LYS 34 1HZ LYS 34 5.523 -2.932 10.347 261 2HZ LYS 34 2HZ LYS 34 5.345 -1.484 9.468 262 3HZ LYS 34 3HZ LYS 34 6.860 -2.102 9.747 263 H GLY 35 H GLY 35 0.036 -3.749 4.470 264 1HA GLY 35 2HA GLY 35 -2.074 -4.500 4.174 265 2HA GLY 35 1HA GLY 35 -2.143 -5.107 5.805 266 H ARG 36 H ARG 36 -1.123 -1.895 5.705 267 HA ARG 36 HA ARG 36 -3.741 -0.956 6.580 268 1HB ARG 36 2HB ARG 36 -1.021 0.373 6.614 269 2HB ARG 36 1HB ARG 36 -2.485 1.006 7.356 270 1HG ARG 36 2HG ARG 36 -2.510 -0.803 8.948 271 2HG ARG 36 1HG ARG 36 -1.140 -1.570 8.145 272 1HD ARG 36 2HD ARG 36 -0.427 -0.374 10.145 273 2HD ARG 36 1HD ARG 36 0.264 0.348 8.695 274 HE ARG 36 HE ARG 36 -2.120 1.654 9.305 275 1HH1 ARG 36 1HH1 ARG 36 1.204 1.362 10.514 276 2HH1 ARG 36 2HH1 ARG 36 1.194 2.830 11.343 277 1HH2 ARG 36 1HH2 ARG 36 -2.151 3.704 10.512 278 2HH2 ARG 36 2HH2 ARG 36 -0.748 4.173 11.342 279 H VAL 37 H VAL 37 -4.931 0.227 5.200 280 HA VAL 37 HA VAL 37 -3.737 0.840 2.627 281 HB VAL 37 HB VAL 37 -6.638 0.725 3.497 282 1HG1 VAL 37 1HG1 VAL 37 -5.445 1.296 0.802 283 2HG1 VAL 37 2HG1 VAL 37 -6.325 2.471 1.786 284 3HG1 VAL 37 3HG1 VAL 37 -7.165 1.065 1.109 285 1HG2 VAL 37 1HG2 VAL 37 -5.534 -1.415 3.247 286 2HG2 VAL 37 2HG2 VAL 37 -4.994 -0.959 1.633 287 3HG2 VAL 37 3HG2 VAL 37 -6.714 -1.160 1.964 288 H PHE 38 H PHE 38 -3.155 2.725 2.103 289 HA PHE 38 HA PHE 38 -4.074 5.072 3.626 290 1HB PHE 38 2HB PHE 38 -1.651 4.607 1.912 291 2HB PHE 38 1HB PHE 38 -2.040 6.165 2.617 292 HD1 PHE 38 1HD PHE 38 -1.252 2.601 3.555 293 HD2 PHE 38 2HD PHE 38 -1.142 6.708 4.709 294 HE1 PHE 38 1HE PHE 38 0.101 2.019 5.494 295 HE2 PHE 38 2HE PHE 38 0.210 6.111 6.658 296 HZ PHE 38 HZ PHE 38 0.841 3.762 7.057 297 H ASP 39 H ASP 39 -5.023 6.758 2.494 298 HA ASP 39 HA ASP 39 -5.881 6.170 -0.232 299 1HB ASP 39 2HB ASP 39 -7.539 7.133 1.309 300 2HB ASP 39 1HB ASP 39 -6.530 8.558 1.524 301 H VAL 40 H VAL 40 -4.668 6.648 -1.861 302 HA VAL 40 HA VAL 40 -2.981 9.043 -1.695 303 HB VAL 40 HB VAL 40 -1.559 7.972 -3.482 304 1HG1 VAL 40 1HG1 VAL 40 -1.752 6.426 -0.895 305 2HG1 VAL 40 2HG1 VAL 40 -0.852 7.927 -1.171 306 3HG1 VAL 40 3HG1 VAL 40 -0.389 6.454 -2.024 307 1HG2 VAL 40 1HG2 VAL 40 -3.152 5.506 -2.799 308 2HG2 VAL 40 2HG2 VAL 40 -1.720 5.574 -3.837 309 3HG2 VAL 40 3HG2 VAL 40 -3.202 6.393 -4.321 310 H THR 41 H THR 41 -5.799 8.764 -2.492 311 HA THR 41 HA THR 41 -6.003 9.006 -5.288 312 HB THR 41 HB THR 41 -7.898 10.081 -3.170 313 HG1 THR 41 1HG THR 41 -8.081 8.031 -2.680 314 1HG2 THR 41 1HG2 THR 41 -8.379 10.835 -5.470 315 2HG2 THR 41 2HG2 THR 41 -9.619 9.721 -4.899 316 3HG2 THR 41 3HG2 THR 41 -8.372 9.162 -6.020 317 H THR 42 H THR 42 -5.105 11.160 -2.737 318 HA THR 42 HA THR 42 -5.478 13.635 -4.031 319 HB THR 42 HB THR 42 -3.708 14.317 -2.309 320 HG1 THR 42 1HG THR 42 -3.649 12.504 -0.640 321 1HG2 THR 42 1HG2 THR 42 -6.138 14.552 -1.907 322 2HG2 THR 42 2HG2 THR 42 -5.288 14.090 -0.432 323 3HG2 THR 42 3HG2 THR 42 -6.193 12.881 -1.344 324 H GLY 43 H GLY 43 -2.675 11.541 -3.526 325 1HA GLY 43 2HA GLY 43 -1.080 13.011 -5.472 326 2HA GLY 43 1HA GLY 43 -0.531 11.661 -4.483 327 H LYS 44 H LYS 44 -3.266 11.985 -6.675 328 HA LYS 44 HA LYS 44 -3.169 9.409 -7.642 329 1HB LYS 44 2HB LYS 44 -5.126 10.756 -7.590 330 2HB LYS 44 1HB LYS 44 -4.367 11.933 -8.649 331 1HG LYS 44 2HG LYS 44 -4.376 10.341 -10.461 332 2HG LYS 44 1HG LYS 44 -5.036 9.121 -9.384 333 1HD LYS 44 2HD LYS 44 -6.594 10.235 -10.849 334 2HD LYS 44 1HD LYS 44 -7.054 10.269 -9.120 335 1HE LYS 44 2HE LYS 44 -6.204 12.622 -9.070 336 2HE LYS 44 1HE LYS 44 -5.816 12.495 -10.783 337 1HZ LYS 44 1HZ LYS 44 -8.534 12.348 -9.600 338 2HZ LYS 44 2HZ LYS 44 -8.169 12.244 -11.245 339 3HZ LYS 44 3HZ LYS 44 -7.873 13.669 -10.416 340 H SER 45 H SER 45 -1.814 12.394 -8.883 341 HA SER 45 HA SER 45 -0.952 11.538 -11.400 342 1HB SER 45 2HB SER 45 0.415 13.502 -9.551 343 2HB SER 45 1HB SER 45 0.658 13.383 -11.293 344 HG SER 45 HG SER 45 -1.927 13.566 -10.902 345 H PHE 46 H PHE 46 0.248 10.697 -8.279 346 HA PHE 46 HA PHE 46 2.803 9.786 -9.302 347 1HB PHE 46 2HB PHE 46 1.634 9.681 -6.526 348 2HB PHE 46 1HB PHE 46 3.253 9.159 -6.944 349 HD1 PHE 46 1HD PHE 46 4.955 10.820 -7.561 350 HD2 PHE 46 2HD PHE 46 1.070 11.978 -6.274 351 HE1 PHE 46 1HE PHE 46 5.781 13.085 -7.126 352 HE2 PHE 46 2HE PHE 46 1.890 14.254 -5.838 353 HZ PHE 46 HZ PHE 46 4.246 14.807 -6.263 354 H TYR 47 H TYR 47 -0.193 8.455 -7.948 355 HA TYR 47 HA TYR 47 0.870 5.751 -8.352 356 1HB TYR 47 2HB TYR 47 -1.456 6.715 -6.711 357 2HB TYR 47 1HB TYR 47 -0.887 5.057 -6.751 358 HD1 TYR 47 1HD TYR 47 -0.208 8.461 -5.587 359 HD2 TYR 47 2HD TYR 47 1.178 4.447 -5.560 360 HE1 TYR 47 1HE TYR 47 1.341 9.030 -3.784 361 HE2 TYR 47 2HE TYR 47 2.746 5.010 -3.736 362 HH TYR 47 HH TYR 47 3.861 6.976 -2.817 363 H GLY 48 H GLY 48 -2.176 7.583 -8.912 364 1HA GLY 48 2HA GLY 48 -3.816 5.528 -9.645 365 2HA GLY 48 1HA GLY 48 -4.026 7.200 -10.085 366 H SER 49 H SER 49 -2.576 7.772 -12.171 367 HA SER 49 HA SER 49 -3.757 5.890 -14.056 368 1HB SER 49 2HB SER 49 -2.692 8.667 -14.495 369 2HB SER 49 1HB SER 49 -3.589 7.698 -15.666 370 HG SER 49 HG SER 49 -5.124 7.619 -13.676 371 H GLY 50 H GLY 50 -0.927 5.985 -12.696 372 1HA GLY 50 2HA GLY 50 0.693 4.381 -13.645 373 2HA GLY 50 1HA GLY 50 0.396 5.168 -15.190 374 H GLY 51 H GLY 51 1.022 6.491 -11.986 375 1HA GLY 51 2HA GLY 51 2.904 8.301 -13.092 376 2HA GLY 51 1HA GLY 51 2.462 8.153 -11.403 377 H ASP 52 H ASP 52 4.829 8.381 -11.070 378 HA ASP 52 HA ASP 52 6.588 6.271 -11.873 379 1HB ASP 52 2HB ASP 52 7.435 8.534 -11.344 380 2HB ASP 52 1HB ASP 52 6.921 8.328 -9.673 381 H TYR 53 H TYR 53 4.449 6.794 -9.256 382 HA TYR 53 HA TYR 53 5.531 4.528 -7.753 383 1HB TYR 53 2HB TYR 53 3.601 6.708 -6.956 384 2HB TYR 53 1HB TYR 53 4.088 5.380 -5.914 385 HD1 TYR 53 1HD TYR 53 5.123 8.535 -7.449 386 HD2 TYR 53 2HD TYR 53 6.321 5.296 -4.975 387 HE1 TYR 53 1HE TYR 53 7.062 9.834 -6.702 388 HE2 TYR 53 2HE TYR 53 8.266 6.585 -4.219 389 HH TYR 53 HH TYR 53 8.600 9.889 -4.738 390 H SER 54 H SER 54 3.763 4.588 -10.225 391 HA SER 54 HA SER 54 1.155 3.778 -9.648 392 1HB SER 54 2HB SER 54 1.983 4.470 -11.879 393 2HB SER 54 1HB SER 54 2.895 2.966 -11.977 394 HG SER 54 HG SER 54 0.074 3.230 -11.797 395 H MET 55 H MET 55 4.127 2.064 -9.371 396 HA MET 55 HA MET 55 3.197 -0.609 -9.644 397 1HB MET 55 2HB MET 55 5.486 0.222 -7.875 398 2HB MET 55 1HB MET 55 5.256 -1.310 -8.698 399 1HG MET 55 2HG MET 55 5.888 1.328 -9.852 400 2HG MET 55 1HG MET 55 6.950 -0.065 -9.777 401 1HE MET 55 1HE MET 55 7.492 0.219 -12.410 402 2HE MET 55 2HE MET 55 6.400 1.600 -12.450 403 3HE MET 55 3HE MET 55 6.234 0.313 -13.645 404 H PHE 56 H PHE 56 3.291 1.687 -7.060 405 HA PHE 56 HA PHE 56 2.877 -0.164 -4.914 406 1HB PHE 56 2HB PHE 56 2.617 2.847 -5.039 407 2HB PHE 56 1HB PHE 56 2.593 1.893 -3.565 408 HD1 PHE 56 1HD PHE 56 4.727 2.829 -6.459 409 HD2 PHE 56 2HD PHE 56 4.587 1.372 -2.478 410 HE1 PHE 56 1HE PHE 56 7.162 3.060 -6.301 411 HE2 PHE 56 2HE PHE 56 7.010 1.586 -2.300 412 HZ PHE 56 HZ PHE 56 8.323 2.436 -4.217 413 H ALA 57 H ALA 57 0.924 1.481 -7.173 414 HA ALA 57 HA ALA 57 -1.387 1.869 -5.617 415 1HB ALA 57 1HB ALA 57 -2.509 2.356 -7.712 416 2HB ALA 57 2HB ALA 57 -1.169 1.649 -8.610 417 3HB ALA 57 3HB ALA 57 -0.918 3.121 -7.680 418 H GLY 58 H GLY 58 -2.905 0.567 -4.998 419 1HA GLY 58 2HA GLY 58 -4.441 -1.043 -4.987 420 2HA GLY 58 1HA GLY 58 -3.991 -1.567 -6.566 421 H LYS 59 H LYS 59 -1.447 -1.450 -4.216 422 HA LYS 59 HA LYS 59 -1.945 -4.193 -3.517 423 1HB LYS 59 2HB LYS 59 0.264 -4.986 -4.306 424 2HB LYS 59 1HB LYS 59 -0.721 -4.479 -5.645 425 1HG LYS 59 2HG LYS 59 0.479 -2.350 -5.664 426 2HG LYS 59 1HG LYS 59 1.574 -3.035 -4.455 427 1HD LYS 59 2HD LYS 59 2.530 -3.389 -6.641 428 2HD LYS 59 1HD LYS 59 2.009 -4.942 -5.990 429 1HE LYS 59 2HE LYS 59 1.462 -4.730 -8.340 430 2HE LYS 59 1HE LYS 59 -0.018 -4.815 -7.404 431 1HZ LYS 59 1HZ LYS 59 -0.096 -3.108 -9.134 432 2HZ LYS 59 2HZ LYS 59 1.215 -2.306 -8.433 433 3HZ LYS 59 3HZ LYS 59 -0.248 -2.389 -7.621 434 H ASP 60 H ASP 60 -0.336 -4.994 -1.962 435 HA ASP 60 HA ASP 60 0.403 -2.836 -0.181 436 1HB ASP 60 2HB ASP 60 -0.527 -4.997 0.739 437 2HB ASP 60 1HB ASP 60 0.916 -5.806 0.130 438 H ALA 61 H ALA 61 2.267 -2.008 -0.140 439 HA ALA 61 HA ALA 61 4.271 -3.156 -1.949 440 1HB ALA 61 1HB ALA 61 3.714 -0.285 -1.295 441 2HB ALA 61 2HB ALA 61 3.229 -1.143 -2.760 442 3HB ALA 61 3HB ALA 61 4.941 -0.882 -2.415 443 H SER 62 H SER 62 3.891 -3.472 1.076 444 HA SER 62 HA SER 62 5.810 -1.879 2.268 445 1HB SER 62 2HB SER 62 5.795 -3.557 4.165 446 2HB SER 62 1HB SER 62 4.226 -2.911 3.712 447 HG SER 62 HG SER 62 3.848 -4.792 2.529 448 H ARG 63 H ARG 63 6.237 -5.067 0.748 449 HA ARG 63 HA ARG 63 8.962 -5.247 1.475 450 1HB ARG 63 2HB ARG 63 7.821 -7.251 0.755 451 2HB ARG 63 1HB ARG 63 7.455 -6.535 -0.808 452 1HG ARG 63 2HG ARG 63 9.804 -6.529 -1.389 453 2HG ARG 63 1HG ARG 63 10.216 -7.168 0.198 454 1HD ARG 63 2HD ARG 63 9.081 -9.236 -0.290 455 2HD ARG 63 1HD ARG 63 8.466 -8.581 -1.809 456 HE ARG 63 HE ARG 63 10.965 -8.357 -2.377 457 1HH1 ARG 63 1HH1 ARG 63 9.663 -11.047 -0.456 458 2HH1 ARG 63 2HH1 ARG 63 10.814 -12.144 -1.057 459 1HH2 ARG 63 1HH2 ARG 63 12.449 -9.814 -3.120 460 2HH2 ARG 63 2HH2 ARG 63 12.483 -11.453 -2.580 461 H ALA 64 H ALA 64 7.349 -3.563 -1.066 462 HA ALA 64 HA ALA 64 9.602 -3.231 -2.811 463 1HB ALA 64 1HB ALA 64 7.008 -1.687 -2.631 464 2HB ALA 64 2HB ALA 64 7.356 -3.031 -3.735 465 3HB ALA 64 3HB ALA 64 8.204 -1.505 -3.906 466 H LEU 65 H LEU 65 8.104 -1.564 -0.250 467 HA LEU 65 HA LEU 65 9.562 0.829 -0.276 468 1HB LEU 65 2HB LEU 65 8.069 -0.689 1.800 469 2HB LEU 65 1HB LEU 65 8.807 0.853 2.142 470 HG LEU 65 HG LEU 65 6.596 0.351 0.120 471 1HD1 LEU 65 1HD1 LEU 65 5.825 0.198 2.431 472 2HD1 LEU 65 2HD1 LEU 65 5.236 1.650 1.629 473 3HD1 LEU 65 3HD1 LEU 65 6.551 1.765 2.787 474 1HD2 LEU 65 1HD2 LEU 65 7.950 2.786 1.077 475 2HD2 LEU 65 2HD2 LEU 65 6.527 2.791 0.024 476 3HD2 LEU 65 3HD2 LEU 65 8.090 2.146 -0.561 477 H GLY 66 H GLY 66 10.112 -2.231 1.398 478 1HA GLY 66 2HA GLY 66 12.398 -1.194 2.797 479 2HA GLY 66 1HA GLY 66 11.898 -2.858 2.784 480 H LYS 67 H LYS 67 11.913 -3.200 -0.012 481 HA LYS 67 HA LYS 67 14.724 -3.736 -0.371 482 1HB LYS 67 2HB LYS 67 12.437 -4.038 -2.314 483 2HB LYS 67 1HB LYS 67 14.011 -4.798 -2.448 484 1HG LYS 67 2HG LYS 67 12.055 -5.284 -0.235 485 2HG LYS 67 1HG LYS 67 12.168 -6.306 -1.654 486 1HD LYS 67 2HD LYS 67 14.376 -5.787 0.370 487 2HD LYS 67 1HD LYS 67 13.358 -7.224 0.327 488 1HE LYS 67 2HE LYS 67 14.169 -7.703 -1.902 489 2HE LYS 67 1HE LYS 67 15.244 -6.323 -1.831 490 1HZ LYS 67 1HZ LYS 67 16.407 -7.298 0.052 491 2HZ LYS 67 2HZ LYS 67 16.414 -8.389 -1.237 492 3HZ LYS 67 3HZ LYS 67 15.380 -8.644 0.045 493 H MET 68 H MET 68 12.393 -1.447 -1.434 494 HA MET 68 HA MET 68 12.398 0.403 -2.595 495 1HB MET 68 2HB MET 68 15.427 0.328 -2.460 496 2HB MET 68 1HB MET 68 14.448 1.699 -2.971 497 1HG MET 68 2HG MET 68 13.409 1.668 -0.685 498 2HG MET 68 1HG MET 68 14.578 0.451 -0.263 499 1HE MET 68 1HE MET 68 14.175 4.191 -1.454 500 2HE MET 68 2HE MET 68 15.249 3.489 -2.666 501 3HE MET 68 3HE MET 68 15.864 4.683 -1.532 502 H SER 69 H SER 69 11.620 -1.290 -3.879 503 HA SER 69 HA SER 69 13.012 -1.442 -6.431 504 1HB SER 69 2HB SER 69 11.776 -3.641 -4.859 505 2HB SER 69 1HB SER 69 12.438 -3.826 -6.486 506 HG SER 69 HG SER 69 14.254 -2.653 -4.960 507 H LYS 70 H LYS 70 11.637 -0.993 -8.003 508 HA LYS 70 HA LYS 70 8.815 -0.703 -7.368 509 1HB LYS 70 2HB LYS 70 10.500 0.253 -9.662 510 2HB LYS 70 1HB LYS 70 8.787 0.588 -9.455 511 1HG LYS 70 2HG LYS 70 9.157 1.839 -7.501 512 2HG LYS 70 1HG LYS 70 10.840 1.287 -7.415 513 1HD LYS 70 2HD LYS 70 10.603 3.638 -8.280 514 2HD LYS 70 1HD LYS 70 11.374 2.552 -9.432 515 1HE LYS 70 2HE LYS 70 9.168 2.259 -10.554 516 2HE LYS 70 1HE LYS 70 8.489 3.445 -9.439 517 1HZ LYS 70 1HZ LYS 70 10.737 3.967 -11.282 518 2HZ LYS 70 2HZ LYS 70 9.890 5.134 -10.391 519 3HZ LYS 70 3HZ LYS 70 9.138 4.318 -11.639 520 H ASN 71 H ASN 71 10.889 -2.874 -8.732 521 HA ASN 71 HA ASN 71 9.291 -3.902 -10.812 522 1HB ASN 71 2HB ASN 71 10.721 -5.970 -10.595 523 2HB ASN 71 1HB ASN 71 11.645 -4.487 -10.772 524 1HD2 ASN 71 1HD2 ASN 71 10.849 -7.119 -8.714 525 2HD2 ASN 71 2HD2 ASN 71 11.989 -6.787 -7.459 526 H GLU 72 H GLU 72 7.726 -5.407 -10.846 527 HA GLU 72 HA GLU 72 5.915 -5.432 -8.727 528 1HB GLU 72 2HB GLU 72 6.038 -7.358 -11.038 529 2HB GLU 72 1HB GLU 72 4.633 -6.998 -10.047 530 1HG GLU 72 2HG GLU 72 4.687 -4.673 -10.848 531 2HG GLU 72 1HG GLU 72 6.057 -5.086 -11.879 532 H GLU 73 H GLU 73 8.432 -7.587 -9.573 533 HA GLU 73 HA GLU 73 7.782 -9.927 -8.184 534 1HB GLU 73 2HB GLU 73 10.545 -8.740 -8.491 535 2HB GLU 73 1HB GLU 73 10.140 -10.413 -8.189 536 1HG GLU 73 2HG GLU 73 9.166 -10.655 -10.339 537 2HG GLU 73 1HG GLU 73 9.341 -8.931 -10.668 538 H ASP 74 H ASP 74 9.038 -6.843 -6.976 539 HA ASP 74 HA ASP 74 9.254 -8.058 -4.332 540 1HB ASP 74 2HB ASP 74 10.706 -5.669 -5.441 541 2HB ASP 74 1HB ASP 74 10.624 -5.995 -3.716 542 H VAL 75 H VAL 75 7.045 -6.300 -5.989 543 HA VAL 75 HA VAL 75 6.377 -4.669 -3.644 544 HB VAL 75 HB VAL 75 4.412 -5.046 -5.881 545 1HG1 VAL 75 1HG1 VAL 75 5.159 -2.705 -4.182 546 2HG1 VAL 75 2HG1 VAL 75 3.673 -3.675 -4.088 547 3HG1 VAL 75 3HG1 VAL 75 4.011 -2.646 -5.495 548 1HG2 VAL 75 1HG2 VAL 75 6.507 -4.616 -7.077 549 2HG2 VAL 75 2HG2 VAL 75 6.659 -3.074 -6.175 550 3HG2 VAL 75 3HG2 VAL 75 5.252 -3.386 -7.223 551 H SER 76 H SER 76 5.703 -5.882 -2.010 552 HA SER 76 HA SER 76 3.537 -7.751 -2.390 553 1HB SER 76 2HB SER 76 5.489 -9.084 -2.995 554 2HB SER 76 1HB SER 76 6.314 -8.591 -1.531 555 HG SER 76 HG SER 76 4.351 -10.518 -1.886 556 HA PRO 77 HA PRO 77 2.989 -6.583 1.938 557 1HB PRO 77 2HB PRO 77 1.341 -8.585 2.714 558 2HB PRO 77 1HB PRO 77 0.776 -7.250 1.706 559 1HG PRO 77 2HG PRO 77 1.574 -10.021 0.915 560 2HG PRO 77 1HG PRO 77 0.201 -9.052 0.350 561 1HD PRO 77 2HD PRO 77 2.497 -9.333 -1.069 562 2HD PRO 77 1HD PRO 77 1.497 -7.868 -1.143 563 H SER 78 H SER 78 4.432 -9.436 0.764 564 HA SER 78 HA SER 78 5.044 -10.599 3.390 565 1HB SER 78 2HB SER 78 4.571 -11.959 1.232 566 2HB SER 78 1HB SER 78 6.141 -11.300 0.725 567 HG SER 78 HG SER 78 6.945 -12.929 1.715 568 H LEU 79 H LEU 79 6.656 -10.254 4.522 569 HA LEU 79 HA LEU 79 8.642 -8.475 3.373 570 1HB LEU 79 2HB LEU 79 7.798 -8.768 6.242 571 2HB LEU 79 1HB LEU 79 9.025 -7.692 5.607 572 HG LEU 79 HG LEU 79 6.071 -7.557 5.094 573 1HD1 LEU 79 1HD1 LEU 79 6.755 -6.634 7.259 574 2HD1 LEU 79 2HD1 LEU 79 6.189 -5.380 6.171 575 3HD1 LEU 79 3HD1 LEU 79 7.907 -5.570 6.449 576 1HD2 LEU 79 1HD2 LEU 79 8.296 -5.930 3.876 577 2HD2 LEU 79 2HD2 LEU 79 6.568 -5.580 3.737 578 3HD2 LEU 79 3HD2 LEU 79 7.218 -7.067 3.056 579 H GLU 80 H GLU 80 8.337 -11.621 3.940 580 HA GLU 80 HA GLU 80 10.892 -11.738 5.191 581 1HB GLU 80 2HB GLU 80 9.425 -13.317 6.067 582 2HB GLU 80 1HB GLU 80 9.140 -14.089 4.495 583 1HG GLU 80 2HG GLU 80 11.405 -14.826 4.428 584 2HG GLU 80 1HG GLU 80 11.788 -13.863 5.857 585 H GLY 81 H GLY 81 11.845 -10.713 3.799 586 1HA GLY 81 2HA GLY 81 13.623 -12.323 2.461 587 2HA GLY 81 1HA GLY 81 12.717 -11.357 1.259 588 H LEU 82 H LEU 82 13.143 -10.375 4.509 589 HA LEU 82 HA LEU 82 15.027 -8.258 3.953 590 1HB LEU 82 2HB LEU 82 12.233 -7.896 5.070 591 2HB LEU 82 1HB LEU 82 13.483 -6.715 5.284 592 HG LEU 82 HG LEU 82 13.496 -6.470 2.743 593 1HD1 LEU 82 1HD1 LEU 82 11.580 -7.139 1.609 594 2HD1 LEU 82 2HD1 LEU 82 11.080 -8.097 3.078 595 3HD1 LEU 82 3HD1 LEU 82 12.595 -8.462 2.226 596 1HD2 LEU 82 1HD2 LEU 82 11.537 -5.115 2.665 597 2HD2 LEU 82 2HD2 LEU 82 12.417 -4.834 4.171 598 3HD2 LEU 82 3HD2 LEU 82 10.934 -5.810 4.170 599 H THR 83 H THR 83 16.161 -7.869 5.741 600 HA THR 83 HA THR 83 15.377 -9.313 8.154 601 HB THR 83 HB THR 83 17.735 -9.054 8.856 602 HG1 THR 83 1HG THR 83 17.816 -7.578 6.438 603 1HG2 THR 83 1HG2 THR 83 17.501 -9.875 6.009 604 2HG2 THR 83 2HG2 THR 83 17.111 -10.907 7.400 605 3HG2 THR 83 3HG2 THR 83 18.789 -10.377 7.118 606 H GLU 84 H GLU 84 16.676 -7.660 10.004 607 HA GLU 84 HA GLU 84 14.695 -5.764 10.377 608 1HB GLU 84 2HB GLU 84 16.140 -6.719 12.128 609 2HB GLU 84 1HB GLU 84 17.458 -5.711 11.568 610 1HG GLU 84 2HG GLU 84 16.188 -3.700 12.072 611 2HG GLU 84 1HG GLU 84 14.834 -4.680 12.628 612 H LYS 85 H LYS 85 17.932 -5.349 8.967 613 HA LYS 85 HA LYS 85 17.801 -2.553 8.665 614 1HB LYS 85 2HB LYS 85 19.430 -2.914 6.787 615 2HB LYS 85 1HB LYS 85 19.892 -3.532 8.371 616 1HG LYS 85 2HG LYS 85 19.260 -5.730 7.749 617 2HG LYS 85 1HG LYS 85 18.546 -5.148 6.309 618 1HD LYS 85 2HD LYS 85 20.202 -4.865 5.206 619 2HD LYS 85 1HD LYS 85 21.375 -4.338 6.472 620 1HE LYS 85 2HE LYS 85 22.113 -6.460 5.463 621 2HE LYS 85 1HE LYS 85 21.524 -6.821 7.070 622 1HZ LYS 85 1HZ LYS 85 19.892 -7.093 4.629 623 2HZ LYS 85 2HZ LYS 85 19.525 -7.665 6.179 624 3HZ LYS 85 3HZ LYS 85 20.774 -8.376 5.293 625 H GLU 86 H GLU 86 16.692 -5.161 6.293 626 HA GLU 86 HA GLU 86 16.102 -3.278 4.336 627 1HB GLU 86 2HB GLU 86 15.317 -6.078 4.909 628 2HB GLU 86 1HB GLU 86 14.631 -5.151 3.604 629 1HG GLU 86 2HG GLU 86 16.315 -6.552 2.662 630 2HG GLU 86 1HG GLU 86 16.989 -4.930 2.746 631 H ILE 87 H ILE 87 14.368 -4.816 6.971 632 HA ILE 87 HA ILE 87 11.875 -3.737 6.337 633 HB ILE 87 HB ILE 87 12.957 -4.459 9.071 634 1HG1 ILE 87 2HG1 ILE 87 11.168 -6.001 7.185 635 2HG1 ILE 87 1HG1 ILE 87 12.854 -6.356 7.496 636 1HG2 ILE 87 1HG2 ILE 87 11.116 -2.914 9.189 637 2HG2 ILE 87 2HG2 ILE 87 10.569 -4.539 9.698 638 3HG2 ILE 87 3HG2 ILE 87 10.205 -3.923 8.066 639 1HD1 ILE 87 1HD1 ILE 87 10.660 -6.388 9.540 640 2HD1 ILE 87 2HD1 ILE 87 12.341 -6.796 9.840 641 3HD1 ILE 87 3HD1 ILE 87 11.355 -7.826 8.780 642 H ASN 88 H ASN 88 14.602 -2.508 8.266 643 HA ASN 88 HA ASN 88 13.418 -0.251 9.407 644 1HB ASN 88 2HB ASN 88 16.201 -0.620 8.365 645 2HB ASN 88 1HB ASN 88 15.684 0.867 9.137 646 1HD2 ASN 88 1HD2 ASN 88 14.004 -0.603 11.115 647 2HD2 ASN 88 2HD2 ASN 88 15.109 -1.360 12.188 648 H THR 89 H THR 89 14.546 -0.722 6.203 649 HA THR 89 HA THR 89 14.499 1.943 5.356 650 HB THR 89 HB THR 89 14.123 -0.620 3.818 651 HG1 THR 89 1HG THR 89 16.098 -0.880 4.523 652 1HG2 THR 89 1HG2 THR 89 13.469 1.306 2.574 653 2HG2 THR 89 2HG2 THR 89 15.007 0.679 1.946 654 3HG2 THR 89 3HG2 THR 89 14.976 2.132 2.993 655 H LEU 90 H LEU 90 12.086 -0.657 5.053 656 HA LEU 90 HA LEU 90 10.039 0.969 3.891 657 1HB LEU 90 2HB LEU 90 9.414 -1.033 3.398 658 2HB LEU 90 1HB LEU 90 10.449 -1.792 4.548 659 HG LEU 90 HG LEU 90 8.500 -1.030 6.186 660 1HD1 LEU 90 1HD1 LEU 90 7.205 0.186 4.677 661 2HD1 LEU 90 2HD1 LEU 90 6.308 -1.240 5.208 662 3HD1 LEU 90 3HD1 LEU 90 7.061 -1.209 3.613 663 1HD2 LEU 90 1HD2 LEU 90 7.483 -3.232 5.920 664 2HD2 LEU 90 2HD2 LEU 90 9.262 -3.298 5.894 665 3HD2 LEU 90 3HD2 LEU 90 8.342 -3.412 4.389 666 H ASN 91 H ASN 91 10.819 -0.170 7.055 667 HA ASN 91 HA ASN 91 8.686 0.585 8.617 668 1HB ASN 91 2HB ASN 91 10.945 -0.593 9.155 669 2HB ASN 91 1HB ASN 91 11.536 1.033 9.443 670 1HD2 ASN 91 1HD2 ASN 91 9.612 -1.568 10.562 671 2HD2 ASN 91 2HD2 ASN 91 9.277 -0.982 12.122 672 H ASP 92 H ASP 92 11.311 2.499 7.300 673 HA ASP 92 HA ASP 92 10.561 4.975 8.531 674 1HB ASP 92 2HB ASP 92 12.864 4.537 7.807 675 2HB ASP 92 1HB ASP 92 12.318 4.421 6.140 676 H TRP 93 H TRP 93 9.994 3.427 5.435 677 HA TRP 93 HA TRP 93 8.667 5.524 4.118 678 1HB TRP 93 2HB TRP 93 8.826 2.616 3.831 679 2HB TRP 93 1HB TRP 93 7.646 3.443 2.864 680 HD1 TRP 93 HD TRP 93 11.194 2.395 2.871 681 HE1 TRP 93 1HE TRP 93 12.511 3.498 0.978 682 HE3 TRP 93 3HE TRP 93 7.816 5.987 1.541 683 HZ2 TRP 93 2HZ TRP 93 12.173 5.627 -0.851 684 HZ3 TRP 93 3HZ TRP 93 8.390 7.521 -0.292 685 HH2 TRP 93 HH TRP 93 10.520 7.343 -1.464 686 H GLU 94 H GLU 94 7.457 3.132 6.307 687 HA GLU 94 HA GLU 94 4.723 3.493 5.985 688 1HB GLU 94 2HB GLU 94 6.257 3.184 8.568 689 2HB GLU 94 1HB GLU 94 4.531 2.916 8.371 690 1HG GLU 94 2HG GLU 94 4.923 1.108 6.905 691 2HG GLU 94 1HG GLU 94 6.666 1.345 6.934 692 H THR 95 H THR 95 7.039 5.315 7.745 693 HA THR 95 HA THR 95 5.329 7.198 9.026 694 HB THR 95 HB THR 95 8.248 7.364 8.362 695 HG1 THR 95 1HG THR 95 8.498 6.173 10.264 696 1HG2 THR 95 1HG2 THR 95 8.365 8.834 10.355 697 2HG2 THR 95 2HG2 THR 95 6.616 8.697 10.537 698 3HG2 THR 95 3HG2 THR 95 7.295 9.503 9.122 699 H LYS 96 H LYS 96 6.821 7.047 5.924 700 HA LYS 96 HA LYS 96 6.795 9.875 5.447 701 1HB LYS 96 2HB LYS 96 7.309 7.553 3.582 702 2HB LYS 96 1HB LYS 96 7.634 9.249 3.221 703 1HG LYS 96 2HG LYS 96 8.860 7.747 5.504 704 2HG LYS 96 1HG LYS 96 9.700 7.937 3.996 705 1HD LYS 96 2HD LYS 96 9.573 10.420 4.318 706 2HD LYS 96 1HD LYS 96 8.771 10.132 5.860 707 1HE LYS 96 2HE LYS 96 10.735 8.930 6.667 708 2HE LYS 96 1HE LYS 96 11.542 9.186 5.128 709 1HZ LYS 96 1HZ LYS 96 12.260 10.769 6.804 710 2HZ LYS 96 2HZ LYS 96 10.687 11.331 6.998 711 3HZ LYS 96 3HZ LYS 96 11.490 11.560 5.525 712 H PHE 97 H PHE 97 4.920 7.119 4.750 713 HA PHE 97 HA PHE 97 2.952 8.569 3.276 714 1HB PHE 97 2HB PHE 97 3.163 5.835 4.402 715 2HB PHE 97 1HB PHE 97 1.655 6.390 3.724 716 HD1 PHE 97 1HD PHE 97 5.246 5.841 2.914 717 HD2 PHE 97 2HD PHE 97 1.298 6.277 1.398 718 HE1 PHE 97 1HE PHE 97 6.032 5.170 0.679 719 HE2 PHE 97 2HE PHE 97 2.077 5.615 -0.833 720 HZ PHE 97 HZ PHE 97 4.449 5.057 -1.194 721 H GLU 98 H GLU 98 3.298 7.233 6.523 722 HA GLU 98 HA GLU 98 0.819 7.701 7.654 723 1HB GLU 98 2HB GLU 98 3.489 7.127 8.482 724 2HB GLU 98 1HB GLU 98 2.675 8.103 9.688 725 1HG GLU 98 2HG GLU 98 1.591 5.542 8.532 726 2HG GLU 98 1HG GLU 98 2.546 5.634 10.009 727 H ALA 99 H ALA 99 3.273 10.106 7.011 728 HA ALA 99 HA ALA 99 1.925 11.902 8.869 729 1HB ALA 99 1HB ALA 99 4.508 12.275 7.357 730 2HB ALA 99 2HB ALA 99 4.361 11.756 9.036 731 3HB ALA 99 3HB ALA 99 3.844 13.375 8.564 732 H LYS 100 H LYS 100 1.585 10.983 5.735 733 HA LYS 100 HA LYS 100 0.775 13.672 4.949 734 1HB LYS 100 2HB LYS 100 2.319 11.678 3.297 735 2HB LYS 100 1HB LYS 100 1.369 12.944 2.565 736 1HG LYS 100 2HG LYS 100 3.646 13.620 2.603 737 2HG LYS 100 1HG LYS 100 2.755 14.621 3.742 738 1HD LYS 100 2HD LYS 100 3.583 13.154 5.563 739 2HD LYS 100 1HD LYS 100 4.560 12.290 4.376 740 1HE LYS 100 2HE LYS 100 4.677 15.208 4.965 741 2HE LYS 100 1HE LYS 100 5.835 14.027 5.606 742 1HZ LYS 100 1HZ LYS 100 5.417 14.785 2.748 743 2HZ LYS 100 2HZ LYS 100 6.472 13.576 3.256 744 3HZ LYS 100 3HZ LYS 100 6.741 15.176 3.714 745 H TYR 101 H TYR 101 0.313 10.208 4.390 746 HA TYR 101 HA TYR 101 -2.295 10.758 3.222 747 1HB TYR 101 2HB TYR 101 -0.540 8.305 3.163 748 2HB TYR 101 1HB TYR 101 -2.118 8.452 2.411 749 HD1 TYR 101 1HD TYR 101 -2.397 10.098 0.516 750 HD2 TYR 101 2HD TYR 101 1.409 9.054 2.077 751 HE1 TYR 101 1HE TYR 101 -1.342 10.939 -1.525 752 HE2 TYR 101 2HE TYR 101 2.486 9.896 0.031 753 HH TYR 101 HH TYR 101 1.900 10.306 -2.281 754 HA PRO 102 HA PRO 102 -3.993 9.010 6.930 755 1HB PRO 102 2HB PRO 102 -6.549 8.976 6.246 756 2HB PRO 102 1HB PRO 102 -5.697 10.517 6.424 757 1HG PRO 102 2HG PRO 102 -6.324 8.982 3.936 758 2HG PRO 102 1HG PRO 102 -6.544 10.711 4.241 759 1HD PRO 102 2HD PRO 102 -4.366 9.699 2.916 760 2HD PRO 102 1HD PRO 102 -4.324 11.179 3.907 761 H VAL 103 H VAL 103 -4.200 7.004 7.589 762 HA VAL 103 HA VAL 103 -4.541 4.783 5.790 763 HB VAL 103 HB VAL 103 -4.687 4.779 8.839 764 1HG1 VAL 103 1HG1 VAL 103 -5.852 2.856 7.872 765 2HG1 VAL 103 2HG1 VAL 103 -4.355 2.341 8.646 766 3HG1 VAL 103 3HG1 VAL 103 -4.440 2.478 6.891 767 1HG2 VAL 103 1HG2 VAL 103 -2.437 3.841 8.745 768 2HG2 VAL 103 2HG2 VAL 103 -2.482 5.439 7.996 769 3HG2 VAL 103 3HG2 VAL 103 -2.445 3.984 6.995 770 H VAL 104 H VAL 104 -6.359 4.519 4.878 771 HA VAL 104 HA VAL 104 -8.794 5.394 6.222 772 HB VAL 104 HB VAL 104 -9.886 5.186 4.022 773 1HG1 VAL 104 1HG1 VAL 104 -8.916 7.307 4.762 774 2HG1 VAL 104 2HG1 VAL 104 -8.756 7.119 3.018 775 3HG1 VAL 104 3HG1 VAL 104 -7.363 6.849 4.067 776 1HG2 VAL 104 1HG2 VAL 104 -8.513 4.876 2.032 777 2HG2 VAL 104 2HG2 VAL 104 -8.436 3.439 3.063 778 3HG2 VAL 104 3HG2 VAL 104 -7.102 4.599 3.041 779 H GLY 105 H GLY 105 -7.164 2.590 6.018 780 1HA GLY 105 2HA GLY 105 -8.940 1.090 7.322 781 2HA GLY 105 1HA GLY 105 -9.437 0.840 5.656 782 H ARG 106 H ARG 106 -8.879 -1.239 5.488 783 HA ARG 106 HA ARG 106 -6.033 -1.957 5.876 784 1HB ARG 106 2HB ARG 106 -6.795 -4.187 6.510 785 2HB ARG 106 1HB ARG 106 -7.159 -3.067 7.763 786 1HG ARG 106 2HG ARG 106 -9.467 -2.992 7.077 787 2HG ARG 106 1HG ARG 106 -9.058 -4.005 5.685 788 1HD ARG 106 2HD ARG 106 -10.024 -5.313 7.478 789 2HD ARG 106 1HD ARG 106 -8.347 -5.723 7.044 790 HE ARG 106 HE ARG 106 -8.541 -3.890 9.236 791 1HH1 ARG 106 1HH1 ARG 106 -8.646 -7.342 8.401 792 2HH1 ARG 106 2HH1 ARG 106 -8.174 -7.853 9.958 793 1HH2 ARG 106 1HH2 ARG 106 -7.899 -4.648 11.371 794 2HH2 ARG 106 2HH2 ARG 106 -7.756 -6.326 11.648 795 H VAL 107 H VAL 107 -5.363 -3.703 4.650 796 HA VAL 107 HA VAL 107 -7.322 -4.620 2.747 797 HB VAL 107 HB VAL 107 -5.392 -3.433 1.608 798 1HG1 VAL 107 1HG1 VAL 107 -3.838 -5.752 2.642 799 2HG1 VAL 107 2HG1 VAL 107 -3.624 -4.044 3.098 800 3HG1 VAL 107 3HG1 VAL 107 -3.271 -4.584 1.441 801 1HG2 VAL 107 1HG2 VAL 107 -6.739 -5.022 0.479 802 2HG2 VAL 107 2HG2 VAL 107 -5.817 -6.327 1.184 803 3HG2 VAL 107 3HG2 VAL 107 -5.047 -5.268 -0.037 804 H VAL 108 H VAL 108 -7.678 -6.645 2.728 805 HA VAL 108 HA VAL 108 -6.172 -8.313 4.567 806 HB VAL 108 HB VAL 108 -8.336 -9.589 4.869 807 1HG1 VAL 108 1HG1 VAL 108 -7.657 -7.687 6.312 808 2HG1 VAL 108 2HG1 VAL 108 -9.458 -7.740 6.090 809 3HG1 VAL 108 3HG1 VAL 108 -8.480 -6.642 5.146 810 1HG2 VAL 108 1HG2 VAL 108 -10.375 -8.621 4.098 811 2HG2 VAL 108 2HG2 VAL 108 -9.315 -8.798 2.649 812 3HG2 VAL 108 3HG2 VAL 108 -9.454 -7.244 3.536 813 H SER 109 H SER 109 -5.531 -10.310 3.809 814 HA SER 109 HA SER 109 -6.024 -10.791 1.010 815 1HB SER 109 2HB SER 109 -4.241 -9.189 1.054 816 2HB SER 109 1HB SER 109 -3.390 -10.123 2.265 817 HG SER 109 HG SER 109 -2.945 -11.667 0.769 Start of MODEL 4 1 1H MET 1 1HT MET 1 -18.850 -3.697 -2.988 2 2H MET 1 2HT MET 1 -19.051 -5.053 -2.010 3 3H MET 1 3HT MET 1 -17.941 -5.086 -3.295 4 HA MET 1 HA MET 1 -16.887 -4.811 -1.121 5 1HB MET 1 2HB MET 1 -16.647 -2.490 -3.051 6 2HB MET 1 1HB MET 1 -15.545 -2.772 -1.716 7 1HG MET 1 2HG MET 1 -14.579 -3.535 -3.780 8 2HG MET 1 1HG MET 1 -14.894 -4.903 -2.718 9 1HE MET 1 1HE MET 1 -14.553 -6.528 -4.730 10 2HE MET 1 2HE MET 1 -14.237 -5.168 -5.815 11 3HE MET 1 3HE MET 1 -15.410 -6.409 -6.263 12 H GLY 2 H GLY 2 -16.562 -3.560 0.702 13 1HA GLY 2 2HA GLY 2 -16.979 -1.720 2.086 14 2HA GLY 2 1HA GLY 2 -18.355 -1.293 1.067 15 H HIS 3 H HIS 3 -17.411 -2.690 3.928 16 HA HIS 3 HA HIS 3 -19.755 -4.423 4.153 17 1HB HIS 3 2HB HIS 3 -17.545 -3.825 6.160 18 2HB HIS 3 1HB HIS 3 -18.789 -5.052 6.335 19 HD1 HIS 3 1HD HIS 3 -15.431 -4.465 5.041 20 HD2 HIS 3 2HD HIS 3 -18.425 -7.290 4.495 21 HE1 HIS 3 1HE HIS 3 -14.308 -6.450 3.976 22 HE2 HIS 3 2HE HIS 3 -16.238 -7.913 3.315 23 H HIS 4 H HIS 4 -21.424 -3.866 5.602 24 HA HIS 4 HA HIS 4 -21.339 -1.036 6.248 25 1HB HIS 4 2HB HIS 4 -23.778 -1.098 6.712 26 2HB HIS 4 1HB HIS 4 -23.402 -1.688 5.116 27 HD1 HIS 4 1HD HIS 4 -25.277 -2.483 8.121 28 HD2 HIS 4 2HD HIS 4 -23.669 -4.617 4.939 29 HE1 HIS 4 1HE HIS 4 -26.477 -4.660 8.104 30 HE2 HIS 4 2HE HIS 4 -25.690 -5.799 6.024 31 H HIS 5 H HIS 5 -19.840 -2.995 7.635 32 HA HIS 5 HA HIS 5 -20.457 -2.074 10.332 33 1HB HIS 5 2HB HIS 5 -19.471 -4.859 9.620 34 2HB HIS 5 1HB HIS 5 -19.477 -4.200 11.241 35 HD1 HIS 5 1HD HIS 5 -21.259 -6.483 9.342 36 HD2 HIS 5 2HD HIS 5 -22.416 -3.350 11.804 37 HE1 HIS 5 1HE HIS 5 -23.579 -7.021 10.053 38 HE2 HIS 5 2HE HIS 5 -24.047 -5.356 11.828 39 H HIS 6 H HIS 6 -18.960 -0.446 10.130 40 HA HIS 6 HA HIS 6 -16.290 -1.239 10.625 41 1HB HIS 6 2HB HIS 6 -15.199 0.023 8.809 42 2HB HIS 6 1HB HIS 6 -16.199 -1.249 8.149 43 HD1 HIS 6 1HD HIS 6 -17.332 -0.493 6.073 44 HD2 HIS 6 2HD HIS 6 -16.782 2.657 8.731 45 HE1 HIS 6 1HE HIS 6 -18.234 1.514 4.927 46 HE2 HIS 6 2HE HIS 6 -17.389 3.389 6.362 47 H HIS 7 H HIS 7 -14.957 0.961 10.721 48 HA HIS 7 HA HIS 7 -16.749 3.023 11.745 49 1HB HIS 7 2HB HIS 7 -14.216 2.062 13.081 50 2HB HIS 7 1HB HIS 7 -14.978 3.596 13.494 51 HD1 HIS 7 1HD HIS 7 -15.168 -0.037 14.138 52 HD2 HIS 7 2HD HIS 7 -17.599 3.289 14.652 53 HE1 HIS 7 1HE HIS 7 -16.971 -0.756 15.696 54 HE2 HIS 7 2HE HIS 7 -18.596 1.147 15.610 55 H HIS 8 H HIS 8 -13.228 3.182 11.616 56 HA HIS 8 HA HIS 8 -13.596 5.233 9.558 57 1HB HIS 8 2HB HIS 8 -12.366 5.941 11.618 58 2HB HIS 8 1HB HIS 8 -11.148 4.718 11.279 59 HD1 HIS 8 1HD HIS 8 -9.135 5.569 9.989 60 HD2 HIS 8 2HD HIS 8 -12.530 7.907 9.379 61 HE1 HIS 8 1HE HIS 8 -8.401 7.456 8.543 62 HE2 HIS 8 2HE HIS 8 -10.522 8.706 7.995 63 H LEU 9 H LEU 9 -11.922 2.267 10.371 64 HA LEU 9 HA LEU 9 -10.647 2.199 7.776 65 1HB LEU 9 2HB LEU 9 -9.420 0.262 8.535 66 2HB LEU 9 1HB LEU 9 -9.504 1.340 9.899 67 HG LEU 9 HG LEU 9 -9.704 -0.824 10.730 68 1HD1 LEU 9 1HD1 LEU 9 -11.916 -1.043 11.695 69 2HD1 LEU 9 2HD1 LEU 9 -12.428 0.306 10.655 70 3HD1 LEU 9 3HD1 LEU 9 -11.150 0.538 11.857 71 1HD2 LEU 9 1HD2 LEU 9 -11.792 -1.464 8.635 72 2HD2 LEU 9 2HD2 LEU 9 -11.329 -2.541 9.948 73 3HD2 LEU 9 3HD2 LEU 9 -10.148 -2.091 8.718 74 H GLU 10 H GLU 10 -11.015 0.477 6.306 75 HA GLU 10 HA GLU 10 -13.303 -1.205 6.819 76 1HB GLU 10 2HB GLU 10 -14.122 0.561 5.328 77 2HB GLU 10 1HB GLU 10 -12.762 0.303 4.248 78 1HG GLU 10 2HG GLU 10 -14.835 -0.648 3.417 79 2HG GLU 10 1HG GLU 10 -13.593 -1.881 3.639 80 H GLU 11 H GLU 11 -13.111 -3.236 5.772 81 HA GLU 11 HA GLU 11 -10.407 -3.992 5.437 82 1HB GLU 11 2HB GLU 11 -11.722 -5.481 6.694 83 2HB GLU 11 1HB GLU 11 -12.963 -5.547 5.445 84 1HG GLU 11 2HG GLU 11 -11.550 -6.622 3.964 85 2HG GLU 11 1HG GLU 11 -10.131 -6.500 4.958 86 H PHE 12 H PHE 12 -9.413 -4.009 3.649 87 HA PHE 12 HA PHE 12 -10.885 -4.523 1.204 88 1HB PHE 12 2HB PHE 12 -8.205 -3.211 1.646 89 2HB PHE 12 1HB PHE 12 -8.992 -3.676 0.182 90 HD1 PHE 12 1HD PHE 12 -10.891 -2.341 -0.694 91 HD2 PHE 12 2HD PHE 12 -8.991 -1.277 2.957 92 HE1 PHE 12 1HE PHE 12 -12.009 -0.145 -0.749 93 HE2 PHE 12 2HE PHE 12 -10.110 0.910 2.913 94 HZ PHE 12 HZ PHE 12 -11.625 1.477 1.053 95 H THR 13 H THR 13 -10.307 -6.373 0.188 96 HA THR 13 HA THR 13 -8.085 -7.818 1.379 97 HB THR 13 HB THR 13 -9.951 -8.806 -0.793 98 HG1 THR 13 1HG THR 13 -10.545 -8.152 1.724 99 1HG2 THR 13 1HG2 THR 13 -9.327 -10.995 0.125 100 2HG2 THR 13 2HG2 THR 13 -8.306 -10.137 1.317 101 3HG2 THR 13 3HG2 THR 13 -7.918 -10.045 -0.400 102 H ALA 14 H ALA 14 -6.478 -8.705 -0.138 103 HA ALA 14 HA ALA 14 -5.350 -6.532 -1.563 104 1HB ALA 14 1HB ALA 14 -4.435 -9.401 -1.771 105 2HB ALA 14 2HB ALA 14 -3.935 -8.244 -0.532 106 3HB ALA 14 3HB ALA 14 -3.518 -7.967 -2.215 107 H GLU 15 H GLU 15 -6.812 -9.457 -2.838 108 HA GLU 15 HA GLU 15 -6.437 -8.921 -5.547 109 1HB GLU 15 2HB GLU 15 -8.394 -10.443 -5.897 110 2HB GLU 15 1HB GLU 15 -7.149 -11.098 -4.845 111 1HG GLU 15 2HG GLU 15 -8.518 -10.503 -2.890 112 2HG GLU 15 1HG GLU 15 -9.757 -9.876 -3.973 113 H GLN 16 H GLN 16 -8.878 -7.835 -3.371 114 HA GLN 16 HA GLN 16 -10.533 -6.564 -5.291 115 1HB GLN 16 2HB GLN 16 -10.385 -6.657 -2.339 116 2HB GLN 16 1HB GLN 16 -11.490 -5.536 -3.110 117 1HG GLN 16 2HG GLN 16 -12.776 -7.227 -4.002 118 2HG GLN 16 1HG GLN 16 -11.472 -8.412 -3.893 119 1HE2 GLN 16 1HE2 GLN 16 -11.108 -9.407 -2.117 120 2HE2 GLN 16 2HE2 GLN 16 -12.054 -9.378 -0.697 121 H LEU 17 H LEU 17 -7.883 -5.667 -3.256 122 HA LEU 17 HA LEU 17 -8.160 -2.877 -3.251 123 1HB LEU 17 2HB LEU 17 -6.725 -4.500 -1.795 124 2HB LEU 17 1HB LEU 17 -5.530 -4.344 -3.049 125 HG LEU 17 HG LEU 17 -4.885 -2.900 -1.269 126 1HD1 LEU 17 1HD1 LEU 17 -4.927 -0.698 -2.090 127 2HD1 LEU 17 2HD1 LEU 17 -6.061 -1.197 -3.356 128 3HD1 LEU 17 3HD1 LEU 17 -4.423 -1.899 -3.281 129 1HD2 LEU 17 1HD2 LEU 17 -6.944 -2.779 -0.092 130 2HD2 LEU 17 2HD2 LEU 17 -7.617 -1.736 -1.366 131 3HD2 LEU 17 3HD2 LEU 17 -6.276 -1.166 -0.367 132 H SER 18 H SER 18 -6.703 -5.223 -5.395 133 HA SER 18 HA SER 18 -4.982 -3.620 -6.860 134 1HB SER 18 2HB SER 18 -6.346 -6.181 -7.612 135 2HB SER 18 1HB SER 18 -4.977 -5.471 -8.475 136 HG SER 18 HG SER 18 -4.247 -5.434 -6.018 137 H GLN 19 H GLN 19 -8.266 -3.289 -6.898 138 HA GLN 19 HA GLN 19 -8.309 -2.432 -9.685 139 1HB GLN 19 2HB GLN 19 -10.568 -2.578 -7.679 140 2HB GLN 19 1HB GLN 19 -10.737 -2.093 -9.358 141 1HG GLN 19 2HG GLN 19 -9.886 -4.342 -10.024 142 2HG GLN 19 1HG GLN 19 -9.926 -4.793 -8.324 143 1HE2 GLN 19 1HE2 GLN 19 -11.904 -5.069 -7.316 144 2HE2 GLN 19 2HE2 GLN 19 -13.369 -5.261 -8.203 145 H TYR 20 H TYR 20 -7.562 -1.185 -6.708 146 HA TYR 20 HA TYR 20 -8.517 1.536 -7.250 147 1HB TYR 20 2HB TYR 20 -7.123 0.387 -4.829 148 2HB TYR 20 1HB TYR 20 -7.807 1.998 -4.971 149 HD1 TYR 20 1HD TYR 20 -10.434 1.871 -5.791 150 HD2 TYR 20 2HD TYR 20 -8.294 -1.051 -3.620 151 HE1 TYR 20 1HE TYR 20 -12.558 1.007 -4.894 152 HE2 TYR 20 2HE TYR 20 -10.393 -1.946 -2.711 153 HH TYR 20 HH TYR 20 -12.643 -1.170 -2.284 154 H ASN 21 H ASN 21 -6.443 0.277 -8.770 155 HA ASN 21 HA ASN 21 -3.918 1.284 -7.896 156 1HB ASN 21 2HB ASN 21 -3.081 0.502 -10.112 157 2HB ASN 21 1HB ASN 21 -3.892 -0.725 -9.173 158 1HD2 ASN 21 1HD2 ASN 21 -4.227 -1.914 -11.104 159 2HD2 ASN 21 2HD2 ASN 21 -5.509 -1.448 -12.193 160 H GLY 22 H GLY 22 -6.510 2.629 -9.632 161 1HA GLY 22 2HA GLY 22 -6.778 4.904 -10.218 162 2HA GLY 22 1HA GLY 22 -5.052 5.122 -9.913 163 H THR 23 H THR 23 -5.422 2.466 -11.721 164 HA THR 23 HA THR 23 -4.537 3.845 -14.114 165 HB THR 23 HB THR 23 -4.439 0.952 -13.258 166 HG1 THR 23 1HG THR 23 -2.808 3.133 -12.767 167 1HG2 THR 23 1HG2 THR 23 -2.804 0.717 -15.055 168 2HG2 THR 23 2HG2 THR 23 -3.076 2.413 -15.504 169 3HG2 THR 23 3HG2 THR 23 -4.383 1.231 -15.655 170 H ASP 24 H ASP 24 -6.856 1.579 -12.788 171 HA ASP 24 HA ASP 24 -8.169 1.224 -15.350 172 1HB ASP 24 2HB ASP 24 -8.867 0.073 -12.663 173 2HB ASP 24 1HB ASP 24 -9.658 -0.243 -14.150 174 H GLU 25 H GLU 25 -9.522 2.765 -15.947 175 HA GLU 25 HA GLU 25 -11.450 4.005 -16.057 176 1HB GLU 25 2HB GLU 25 -12.231 2.418 -13.615 177 2HB GLU 25 1HB GLU 25 -13.312 3.278 -14.697 178 1HG GLU 25 2HG GLU 25 -12.832 1.764 -16.475 179 2HG GLU 25 1HG GLU 25 -11.570 0.980 -15.525 180 H SER 26 H SER 26 -9.196 4.898 -14.286 181 HA SER 26 HA SER 26 -8.604 6.397 -12.739 182 1HB SER 26 2HB SER 26 -9.889 8.549 -12.692 183 2HB SER 26 1HB SER 26 -9.580 7.990 -14.329 184 HG SER 26 HG SER 26 -11.852 6.952 -13.771 185 H LYS 27 H LYS 27 -10.193 4.126 -11.766 186 HA LYS 27 HA LYS 27 -11.940 4.976 -9.736 187 1HB LYS 27 2HB LYS 27 -10.364 2.370 -9.864 188 2HB LYS 27 1HB LYS 27 -11.685 2.668 -8.759 189 1HG LYS 27 2HG LYS 27 -13.070 3.143 -10.943 190 2HG LYS 27 1HG LYS 27 -11.714 2.390 -11.696 191 1HD LYS 27 2HD LYS 27 -13.213 1.004 -9.487 192 2HD LYS 27 1HD LYS 27 -13.677 0.857 -11.176 193 1HE LYS 27 2HE LYS 27 -10.994 0.127 -10.020 194 2HE LYS 27 1HE LYS 27 -12.289 -1.006 -10.418 195 1HZ LYS 27 1HZ LYS 27 -12.141 -0.258 -12.737 196 2HZ LYS 27 2HZ LYS 27 -10.717 -0.949 -12.187 197 3HZ LYS 27 3HZ LYS 27 -10.838 0.740 -12.321 198 HA PRO 28 HA PRO 28 -9.786 6.788 -6.425 199 1HB PRO 28 2HB PRO 28 -10.454 4.959 -4.355 200 2HB PRO 28 1HB PRO 28 -11.273 6.468 -4.750 201 1HG PRO 28 2HG PRO 28 -11.983 3.689 -5.501 202 2HG PRO 28 1HG PRO 28 -13.022 5.103 -5.252 203 1HD PRO 28 2HD PRO 28 -12.495 4.118 -7.689 204 2HD PRO 28 1HD PRO 28 -12.709 5.849 -7.461 205 H ILE 29 H ILE 29 -7.782 6.753 -5.748 206 HA ILE 29 HA ILE 29 -6.230 4.363 -6.356 207 HB ILE 29 HB ILE 29 -5.167 7.088 -5.601 208 1HG1 ILE 29 2HG1 ILE 29 -5.748 6.061 -8.391 209 2HG1 ILE 29 1HG1 ILE 29 -6.707 7.272 -7.584 210 1HG2 ILE 29 1HG2 ILE 29 -4.025 4.787 -7.210 211 2HG2 ILE 29 2HG2 ILE 29 -3.598 5.176 -5.551 212 3HG2 ILE 29 3HG2 ILE 29 -3.193 6.301 -6.852 213 1HD1 ILE 29 1HD1 ILE 29 -3.820 7.545 -8.165 214 2HD1 ILE 29 2HD1 ILE 29 -4.899 8.770 -7.486 215 3HD1 ILE 29 3HD1 ILE 29 -5.136 8.192 -9.149 216 H TYR 30 H TYR 30 -5.600 3.072 -4.749 217 HA TYR 30 HA TYR 30 -4.926 4.206 -2.106 218 1HB TYR 30 2HB TYR 30 -6.556 1.686 -2.509 219 2HB TYR 30 1HB TYR 30 -5.967 2.317 -0.986 220 HD1 TYR 30 1HD TYR 30 -8.748 2.065 -3.075 221 HD2 TYR 30 2HD TYR 30 -6.820 4.779 -0.456 222 HE1 TYR 30 1HE TYR 30 -10.862 3.267 -2.792 223 HE2 TYR 30 2HE TYR 30 -8.940 6.004 -0.160 224 HH TYR 30 HH TYR 30 -11.015 6.318 -1.472 225 H VAL 31 H VAL 31 -3.249 3.477 -1.223 226 HA VAL 31 HA VAL 31 -1.922 1.128 -2.401 227 HB VAL 31 HB VAL 31 0.151 1.933 -1.393 228 1HG1 VAL 31 1HG1 VAL 31 -0.174 2.565 -3.694 229 2HG1 VAL 31 2HG1 VAL 31 0.727 3.761 -2.798 230 3HG1 VAL 31 3HG1 VAL 31 -0.979 4.072 -3.194 231 1HG2 VAL 31 1HG2 VAL 31 -0.718 3.137 0.424 232 2HG2 VAL 31 2HG2 VAL 31 -1.393 4.365 -0.667 233 3HG2 VAL 31 3HG2 VAL 31 0.371 4.177 -0.510 234 H ALA 32 H ALA 32 -0.803 -0.182 -0.737 235 HA ALA 32 HA ALA 32 -1.915 0.291 1.902 236 1HB ALA 32 1HB ALA 32 -3.185 -1.489 0.829 237 2HB ALA 32 2HB ALA 32 -2.241 -2.103 2.186 238 3HB ALA 32 3HB ALA 32 -1.702 -2.388 0.533 239 H ILE 33 H ILE 33 -0.561 -0.074 3.556 240 HA ILE 33 HA ILE 33 2.117 -1.074 2.894 241 HB ILE 33 HB ILE 33 1.517 1.238 4.752 242 1HG1 ILE 33 2HG1 ILE 33 2.799 1.171 2.023 243 2HG1 ILE 33 1HG1 ILE 33 1.364 2.033 2.520 244 1HG2 ILE 33 1HG2 ILE 33 3.982 1.484 4.917 245 2HG2 ILE 33 2HG2 ILE 33 4.164 -0.048 4.099 246 3HG2 ILE 33 3HG2 ILE 33 3.358 0.020 5.675 247 1HD1 ILE 33 1HD1 ILE 33 4.112 2.560 3.538 248 2HD1 ILE 33 2HD1 ILE 33 2.664 3.475 3.970 249 3HD1 ILE 33 3HD1 ILE 33 3.299 3.531 2.310 250 H LYS 34 H LYS 34 2.192 -2.919 3.858 251 HA LYS 34 HA LYS 34 2.449 -4.472 5.493 252 1HB LYS 34 2HB LYS 34 3.298 -2.111 6.642 253 2HB LYS 34 1HB LYS 34 2.044 -2.617 7.762 254 1HG LYS 34 2HG LYS 34 4.497 -4.195 6.978 255 2HG LYS 34 1HG LYS 34 4.221 -3.378 8.510 256 1HD LYS 34 2HD LYS 34 2.360 -4.879 8.971 257 2HD LYS 34 1HD LYS 34 2.609 -5.685 7.423 258 1HE LYS 34 2HE LYS 34 4.873 -6.317 8.154 259 2HE LYS 34 1HE LYS 34 4.562 -5.558 9.714 260 1HZ LYS 34 1HZ LYS 34 4.231 -7.911 9.819 261 2HZ LYS 34 2HZ LYS 34 3.077 -7.882 8.595 262 3HZ LYS 34 3HZ LYS 34 2.771 -7.143 10.085 263 H GLY 35 H GLY 35 -0.147 -3.655 4.420 264 1HA GLY 35 2HA GLY 35 -2.160 -4.716 4.726 265 2HA GLY 35 1HA GLY 35 -1.861 -4.958 6.399 266 H ARG 36 H ARG 36 -1.163 -1.710 5.553 267 HA ARG 36 HA ARG 36 -3.855 -0.980 6.443 268 1HB ARG 36 2HB ARG 36 -1.349 0.671 6.723 269 2HB ARG 36 1HB ARG 36 -2.914 0.963 7.472 270 1HG ARG 36 2HG ARG 36 -2.577 -1.253 8.678 271 2HG ARG 36 1HG ARG 36 -0.911 -1.166 8.096 272 1HD ARG 36 2HD ARG 36 -2.333 0.834 9.828 273 2HD ARG 36 1HD ARG 36 -1.084 -0.298 10.336 274 HE ARG 36 HE ARG 36 0.356 1.001 8.646 275 1HH1 ARG 36 1HH1 ARG 36 -2.175 2.394 10.697 276 2HH1 ARG 36 2HH1 ARG 36 -1.514 3.957 10.694 277 1HH2 ARG 36 1HH2 ARG 36 1.251 3.087 8.675 278 2HH2 ARG 36 2HH2 ARG 36 0.471 4.396 9.480 279 H VAL 37 H VAL 37 -5.012 0.245 5.116 280 HA VAL 37 HA VAL 37 -3.836 0.845 2.527 281 HB VAL 37 HB VAL 37 -6.726 0.820 3.445 282 1HG1 VAL 37 1HG1 VAL 37 -7.310 1.042 1.091 283 2HG1 VAL 37 2HG1 VAL 37 -5.601 1.219 0.677 284 3HG1 VAL 37 3HG1 VAL 37 -6.411 2.464 1.639 285 1HG2 VAL 37 1HG2 VAL 37 -5.702 -1.359 3.300 286 2HG2 VAL 37 2HG2 VAL 37 -5.154 -1.008 1.660 287 3HG2 VAL 37 3HG2 VAL 37 -6.879 -1.140 2.005 288 H PHE 38 H PHE 38 -3.307 2.758 1.917 289 HA PHE 38 HA PHE 38 -4.137 5.097 3.503 290 1HB PHE 38 2HB PHE 38 -1.714 4.574 1.836 291 2HB PHE 38 1HB PHE 38 -2.098 6.166 2.476 292 HD1 PHE 38 1HD PHE 38 -1.398 6.745 4.631 293 HD2 PHE 38 2HD PHE 38 -1.271 2.671 3.435 294 HE1 PHE 38 1HE PHE 38 -0.129 6.190 6.659 295 HE2 PHE 38 2HE PHE 38 -0.011 2.116 5.467 296 HZ PHE 38 HZ PHE 38 0.566 3.873 7.073 297 H ASP 39 H ASP 39 -4.948 6.817 2.451 298 HA ASP 39 HA ASP 39 -5.817 6.443 -0.305 299 1HB ASP 39 2HB ASP 39 -7.363 7.486 1.334 300 2HB ASP 39 1HB ASP 39 -6.211 8.806 1.537 301 H VAL 40 H VAL 40 -4.733 7.145 -1.972 302 HA VAL 40 HA VAL 40 -2.749 9.236 -1.487 303 HB VAL 40 HB VAL 40 -1.360 8.221 -3.338 304 1HG1 VAL 40 1HG1 VAL 40 -1.822 6.519 -0.896 305 2HG1 VAL 40 2HG1 VAL 40 -0.750 7.923 -1.018 306 3HG1 VAL 40 3HG1 VAL 40 -0.402 6.467 -1.945 307 1HG2 VAL 40 1HG2 VAL 40 -3.190 5.869 -2.911 308 2HG2 VAL 40 2HG2 VAL 40 -1.725 5.892 -3.905 309 3HG2 VAL 40 3HG2 VAL 40 -3.115 6.879 -4.351 310 H THR 41 H THR 41 -5.556 9.403 -2.463 311 HA THR 41 HA THR 41 -5.338 10.090 -5.231 312 HB THR 41 HB THR 41 -7.601 11.150 -4.939 313 HG1 THR 41 1HG THR 41 -7.376 10.267 -2.208 314 1HG2 THR 41 1HG2 THR 41 -8.803 9.068 -4.450 315 2HG2 THR 41 2HG2 THR 41 -7.324 8.371 -3.784 316 3HG2 THR 41 3HG2 THR 41 -7.414 8.779 -5.498 317 H THR 42 H THR 42 -4.929 11.721 -2.251 318 HA THR 42 HA THR 42 -4.780 14.365 -3.235 319 HB THR 42 HB THR 42 -5.165 14.031 -0.865 320 HG1 THR 42 1HG THR 42 -3.559 15.767 -1.714 321 1HG2 THR 42 1HG2 THR 42 -3.991 11.915 -0.542 322 2HG2 THR 42 2HG2 THR 42 -3.449 13.096 0.647 323 3HG2 THR 42 3HG2 THR 42 -2.442 12.726 -0.754 324 H GLY 43 H GLY 43 -2.625 11.702 -3.368 325 1HA GLY 43 2HA GLY 43 -0.480 13.455 -4.364 326 2HA GLY 43 1HA GLY 43 -0.192 11.920 -3.563 327 H LYS 44 H LYS 44 -2.651 12.665 -5.957 328 HA LYS 44 HA LYS 44 -2.387 10.240 -7.331 329 1HB LYS 44 2HB LYS 44 -4.372 11.766 -7.456 330 2HB LYS 44 1HB LYS 44 -3.429 12.820 -8.503 331 1HG LYS 44 2HG LYS 44 -3.146 10.794 -10.044 332 2HG LYS 44 1HG LYS 44 -4.319 10.026 -9.022 333 1HD LYS 44 2HD LYS 44 -5.947 11.783 -9.494 334 2HD LYS 44 1HD LYS 44 -4.724 12.543 -10.526 335 1HE LYS 44 2HE LYS 44 -4.651 10.594 -11.969 336 2HE LYS 44 1HE LYS 44 -5.810 9.775 -10.927 337 1HZ LYS 44 1HZ LYS 44 -6.350 12.218 -12.525 338 2HZ LYS 44 2HZ LYS 44 -7.453 11.435 -11.517 339 3HZ LYS 44 3HZ LYS 44 -6.864 10.647 -12.887 340 H SER 45 H SER 45 -0.917 13.350 -7.855 341 HA SER 45 HA SER 45 0.187 13.051 -10.378 342 1HB SER 45 2HB SER 45 1.279 14.594 -8.026 343 2HB SER 45 1HB SER 45 1.687 14.858 -9.722 344 HG SER 45 HG SER 45 -0.281 15.575 -10.134 345 H PHE 46 H PHE 46 1.103 11.513 -7.452 346 HA PHE 46 HA PHE 46 3.721 10.737 -8.551 347 1HB PHE 46 2HB PHE 46 2.553 10.253 -5.806 348 2HB PHE 46 1HB PHE 46 4.211 9.948 -6.302 349 HD1 PHE 46 1HD PHE 46 5.636 11.952 -6.936 350 HD2 PHE 46 2HD PHE 46 1.898 12.322 -4.953 351 HE1 PHE 46 1HE PHE 46 6.254 14.222 -6.210 352 HE2 PHE 46 2HE PHE 46 2.502 14.591 -4.221 353 HZ PHE 46 HZ PHE 46 4.680 15.545 -4.849 354 H TYR 47 H TYR 47 0.682 9.480 -7.295 355 HA TYR 47 HA TYR 47 1.555 6.794 -7.901 356 1HB TYR 47 2HB TYR 47 -0.866 7.772 -6.390 357 2HB TYR 47 1HB TYR 47 -0.424 6.067 -6.583 358 HD1 TYR 47 1HD TYR 47 0.451 9.247 -4.977 359 HD2 TYR 47 2HD TYR 47 1.499 5.151 -5.382 360 HE1 TYR 47 1HE TYR 47 1.991 9.469 -3.088 361 HE2 TYR 47 2HE TYR 47 3.051 5.364 -3.479 362 HH TYR 47 HH TYR 47 3.072 8.074 -1.430 363 H GLY 48 H GLY 48 -1.691 8.338 -8.458 364 1HA GLY 48 2HA GLY 48 -2.118 6.418 -10.626 365 2HA GLY 48 1HA GLY 48 -3.286 7.493 -9.958 366 H SER 49 H SER 49 -0.176 8.367 -11.124 367 HA SER 49 HA SER 49 -0.953 9.408 -13.625 368 1HB SER 49 2HB SER 49 -2.168 11.044 -12.306 369 2HB SER 49 1HB SER 49 -0.721 11.444 -11.389 370 HG SER 49 HG SER 49 0.161 11.938 -13.605 371 H GLY 50 H GLY 50 1.190 9.357 -10.886 372 1HA GLY 50 2HA GLY 50 3.429 10.494 -12.215 373 2HA GLY 50 1HA GLY 50 3.449 9.609 -10.698 374 H GLY 51 H GLY 51 2.014 7.385 -12.221 375 1HA GLY 51 2HA GLY 51 2.581 5.512 -13.470 376 2HA GLY 51 1HA GLY 51 3.921 6.425 -14.150 377 H ASP 52 H ASP 52 5.449 6.891 -12.146 378 HA ASP 52 HA ASP 52 6.875 4.510 -11.775 379 1HB ASP 52 2HB ASP 52 7.824 6.653 -11.907 380 2HB ASP 52 1HB ASP 52 6.975 7.167 -10.462 381 H TYR 53 H TYR 53 4.838 6.358 -9.523 382 HA TYR 53 HA TYR 53 5.211 4.269 -7.539 383 1HB TYR 53 2HB TYR 53 3.950 6.997 -7.332 384 2HB TYR 53 1HB TYR 53 3.893 5.821 -6.030 385 HD1 TYR 53 1HD TYR 53 5.836 8.397 -7.627 386 HD2 TYR 53 2HD TYR 53 6.080 5.032 -5.041 387 HE1 TYR 53 1HE TYR 53 8.012 9.199 -6.790 388 HE2 TYR 53 2HE TYR 53 8.248 5.813 -4.204 389 HH TYR 53 HH TYR 53 9.377 8.936 -4.773 390 H SER 54 H SER 54 3.423 4.353 -10.064 391 HA SER 54 HA SER 54 0.758 4.020 -9.072 392 1HB SER 54 2HB SER 54 1.313 4.807 -11.387 393 2HB SER 54 1HB SER 54 1.978 3.199 -11.695 394 HG SER 54 HG SER 54 -0.637 4.061 -11.645 395 H MET 55 H MET 55 3.533 2.092 -9.254 396 HA MET 55 HA MET 55 2.396 -0.515 -9.634 397 1HB MET 55 2HB MET 55 4.911 -0.017 -8.074 398 2HB MET 55 1HB MET 55 4.514 -1.372 -9.109 399 1HG MET 55 2HG MET 55 5.365 1.380 -9.854 400 2HG MET 55 1HG MET 55 6.188 -0.105 -10.148 401 1HE MET 55 1HE MET 55 5.383 0.931 -13.809 402 2HE MET 55 2HE MET 55 6.634 0.466 -12.655 403 3HE MET 55 3HE MET 55 5.790 1.999 -12.467 404 H PHE 56 H PHE 56 2.802 1.656 -7.047 405 HA PHE 56 HA PHE 56 2.630 -0.211 -4.873 406 1HB PHE 56 2HB PHE 56 2.492 2.811 -4.981 407 2HB PHE 56 1HB PHE 56 2.562 1.865 -3.503 408 HD1 PHE 56 1HD PHE 56 4.475 2.505 -6.653 409 HD2 PHE 56 2HD PHE 56 4.617 1.429 -2.549 410 HE1 PHE 56 1HE PHE 56 6.930 2.624 -6.716 411 HE2 PHE 56 2HE PHE 56 7.049 1.535 -2.592 412 HZ PHE 56 HZ PHE 56 8.233 2.133 -4.683 413 H ALA 57 H ALA 57 0.487 1.517 -6.900 414 HA ALA 57 HA ALA 57 -1.625 1.704 -4.964 415 1HB ALA 57 1HB ALA 57 -1.284 3.467 -6.624 416 2HB ALA 57 2HB ALA 57 -2.889 2.751 -6.728 417 3HB ALA 57 3HB ALA 57 -1.650 2.315 -7.912 418 H GLY 58 H GLY 58 -3.264 0.415 -4.734 419 1HA GLY 58 2HA GLY 58 -4.737 -1.284 -5.120 420 2HA GLY 58 1HA GLY 58 -4.086 -1.576 -6.671 421 H LYS 59 H LYS 59 -1.738 -1.448 -4.172 422 HA LYS 59 HA LYS 59 -1.806 -4.320 -3.797 423 1HB LYS 59 2HB LYS 59 -0.487 -3.939 -5.869 424 2HB LYS 59 1HB LYS 59 0.519 -2.805 -5.008 425 1HG LYS 59 2HG LYS 59 1.677 -4.921 -5.307 426 2HG LYS 59 1HG LYS 59 1.374 -4.615 -3.598 427 1HD LYS 59 2HD LYS 59 1.024 -6.935 -4.218 428 2HD LYS 59 1HD LYS 59 -0.455 -6.202 -3.623 429 1HE LYS 59 2HE LYS 59 -0.885 -7.607 -5.593 430 2HE LYS 59 1HE LYS 59 -1.210 -5.921 -5.982 431 1HZ LYS 59 1HZ LYS 59 1.274 -7.408 -6.665 432 2HZ LYS 59 2HZ LYS 59 0.930 -5.809 -7.142 433 3HZ LYS 59 3HZ LYS 59 0.017 -7.077 -7.725 434 H ASP 60 H ASP 60 -0.448 -4.879 -1.959 435 HA ASP 60 HA ASP 60 0.079 -2.594 -0.266 436 1HB ASP 60 2HB ASP 60 -0.873 -4.762 0.670 437 2HB ASP 60 1HB ASP 60 0.683 -5.497 0.279 438 H ALA 61 H ALA 61 2.005 -1.832 0.018 439 HA ALA 61 HA ALA 61 4.045 -2.931 -1.784 440 1HB ALA 61 1HB ALA 61 4.850 -0.660 -1.995 441 2HB ALA 61 2HB ALA 61 3.607 -0.111 -0.871 442 3HB ALA 61 3HB ALA 61 3.148 -0.790 -2.432 443 H SER 62 H SER 62 3.566 -3.555 1.188 444 HA SER 62 HA SER 62 5.359 -2.234 2.806 445 1HB SER 62 2HB SER 62 3.615 -3.904 3.517 446 2HB SER 62 1HB SER 62 4.677 -5.180 2.940 447 HG SER 62 HG SER 62 5.928 -3.450 4.620 448 H ARG 63 H ARG 63 5.962 -5.059 0.742 449 HA ARG 63 HA ARG 63 8.722 -5.264 1.473 450 1HB ARG 63 2HB ARG 63 7.509 -7.209 0.723 451 2HB ARG 63 1HB ARG 63 7.133 -6.434 -0.801 452 1HG ARG 63 2HG ARG 63 9.498 -6.530 -1.432 453 2HG ARG 63 1HG ARG 63 9.877 -7.304 0.111 454 1HD ARG 63 2HD ARG 63 8.503 -9.187 -0.415 455 2HD ARG 63 1HD ARG 63 7.882 -8.383 -1.850 456 HE ARG 63 HE ARG 63 10.733 -9.087 -1.655 457 1HH1 ARG 63 1HH1 ARG 63 7.594 -9.374 -3.230 458 2HH1 ARG 63 2HH1 ARG 63 8.180 -10.207 -4.593 459 1HH2 ARG 63 1HH2 ARG 63 11.531 -10.294 -3.554 460 2HH2 ARG 63 2HH2 ARG 63 10.415 -10.735 -4.778 461 H ALA 64 H ALA 64 6.956 -3.509 -0.942 462 HA ALA 64 HA ALA 64 9.139 -3.153 -2.795 463 1HB ALA 64 1HB ALA 64 6.435 -1.834 -2.617 464 2HB ALA 64 2HB ALA 64 6.928 -3.147 -3.716 465 3HB ALA 64 3HB ALA 64 7.605 -1.547 -3.893 466 H LEU 65 H LEU 65 7.604 -1.434 -0.269 467 HA LEU 65 HA LEU 65 8.879 1.052 -0.495 468 1HB LEU 65 2HB LEU 65 7.857 -0.540 1.783 469 2HB LEU 65 1HB LEU 65 8.365 1.125 1.966 470 HG LEU 65 HG LEU 65 6.034 0.129 0.291 471 1HD1 LEU 65 1HD1 LEU 65 4.696 1.115 1.982 472 2HD1 LEU 65 2HD1 LEU 65 6.117 1.496 2.954 473 3HD1 LEU 65 3HD1 LEU 65 5.668 -0.195 2.641 474 1HD2 LEU 65 1HD2 LEU 65 5.339 2.389 0.190 475 2HD2 LEU 65 2HD2 LEU 65 7.001 2.331 -0.470 476 3HD2 LEU 65 3HD2 LEU 65 6.670 2.894 1.188 477 H GLY 66 H GLY 66 9.676 -1.909 1.322 478 1HA GLY 66 2HA GLY 66 12.017 -0.897 2.548 479 2HA GLY 66 1HA GLY 66 11.589 -2.596 2.409 480 H LYS 67 H LYS 67 11.637 -3.146 -0.219 481 HA LYS 67 HA LYS 67 14.280 -3.265 -0.977 482 1HB LYS 67 2HB LYS 67 11.667 -3.597 -2.397 483 2HB LYS 67 1HB LYS 67 13.229 -4.084 -3.046 484 1HG LYS 67 2HG LYS 67 12.190 -5.087 -0.420 485 2HG LYS 67 1HG LYS 67 11.848 -5.900 -1.947 486 1HD LYS 67 2HD LYS 67 14.656 -5.212 -1.129 487 2HD LYS 67 1HD LYS 67 13.872 -6.677 -0.555 488 1HE LYS 67 2HE LYS 67 15.328 -6.761 -2.563 489 2HE LYS 67 1HE LYS 67 13.759 -7.606 -2.712 490 1HZ LYS 67 1HZ LYS 67 13.045 -5.687 -4.003 491 2HZ LYS 67 2HZ LYS 67 14.388 -6.398 -4.728 492 3HZ LYS 67 3HZ LYS 67 14.574 -4.952 -3.895 493 H MET 68 H MET 68 11.713 -1.012 -1.696 494 HA MET 68 HA MET 68 11.625 1.035 -2.585 495 1HB MET 68 2HB MET 68 14.634 0.838 -2.974 496 2HB MET 68 1HB MET 68 13.670 2.298 -3.158 497 1HG MET 68 2HG MET 68 13.065 2.128 -0.746 498 2HG MET 68 1HG MET 68 14.146 0.755 -0.624 499 1HE MET 68 1HE MET 68 14.720 4.029 -2.775 500 2HE MET 68 2HE MET 68 15.563 5.041 -1.601 501 3HE MET 68 3HE MET 68 13.882 4.590 -1.328 502 H SER 69 H SER 69 11.500 -1.479 -3.820 503 HA SER 69 HA SER 69 12.265 -1.047 -6.620 504 1HB SER 69 2HB SER 69 11.512 -3.534 -5.039 505 2HB SER 69 1HB SER 69 11.989 -3.474 -6.743 506 HG SER 69 HG SER 69 13.701 -2.229 -5.037 507 H LYS 70 H LYS 70 10.927 -1.056 -8.151 508 HA LYS 70 HA LYS 70 8.149 -0.403 -7.476 509 1HB LYS 70 2HB LYS 70 9.848 0.146 -9.884 510 2HB LYS 70 1HB LYS 70 8.256 0.829 -9.541 511 1HG LYS 70 2HG LYS 70 9.027 2.129 -7.814 512 2HG LYS 70 1HG LYS 70 10.467 1.145 -7.587 513 1HD LYS 70 2HD LYS 70 11.322 1.925 -9.704 514 2HD LYS 70 1HD LYS 70 9.858 2.872 -9.926 515 1HE LYS 70 2HE LYS 70 11.944 3.230 -7.746 516 2HE LYS 70 1HE LYS 70 11.700 4.292 -9.129 517 1HZ LYS 70 1HZ LYS 70 9.730 3.819 -6.968 518 2HZ LYS 70 2HZ LYS 70 9.533 4.912 -8.260 519 3HZ LYS 70 3HZ LYS 70 10.724 5.157 -7.104 520 H ASN 71 H ASN 71 10.151 -2.625 -9.029 521 HA ASN 71 HA ASN 71 8.422 -3.656 -10.956 522 1HB ASN 71 2HB ASN 71 9.614 -5.771 -10.676 523 2HB ASN 71 1HB ASN 71 10.635 -4.414 -11.200 524 1HD2 ASN 71 1HD2 ASN 71 10.268 -6.948 -8.938 525 2HD2 ASN 71 2HD2 ASN 71 11.502 -6.425 -7.843 526 H GLU 72 H GLU 72 6.819 -4.906 -11.013 527 HA GLU 72 HA GLU 72 5.182 -5.171 -8.810 528 1HB GLU 72 2HB GLU 72 4.057 -6.839 -10.423 529 2HB GLU 72 1HB GLU 72 3.903 -5.084 -10.699 530 1HG GLU 72 2HG GLU 72 4.294 -6.250 -12.766 531 2HG GLU 72 1HG GLU 72 5.762 -5.375 -12.373 532 H GLU 73 H GLU 73 7.517 -7.371 -9.920 533 HA GLU 73 HA GLU 73 6.725 -9.742 -8.644 534 1HB GLU 73 2HB GLU 73 8.542 -9.462 -10.256 535 2HB GLU 73 1HB GLU 73 9.457 -8.555 -9.098 536 1HG GLU 73 2HG GLU 73 8.727 -11.463 -8.674 537 2HG GLU 73 1HG GLU 73 10.224 -10.947 -9.434 538 H ASP 74 H ASP 74 8.347 -6.868 -7.530 539 HA ASP 74 HA ASP 74 9.089 -7.997 -4.988 540 1HB ASP 74 2HB ASP 74 10.480 -6.437 -6.345 541 2HB ASP 74 1HB ASP 74 9.310 -5.177 -5.997 542 H VAL 75 H VAL 75 6.731 -5.882 -6.320 543 HA VAL 75 HA VAL 75 5.895 -4.640 -3.851 544 HB VAL 75 HB VAL 75 4.071 -4.906 -6.260 545 1HG1 VAL 75 1HG1 VAL 75 4.485 -2.668 -4.300 546 2HG1 VAL 75 2HG1 VAL 75 3.113 -3.779 -4.322 547 3HG1 VAL 75 3HG1 VAL 75 3.380 -2.643 -5.661 548 1HG2 VAL 75 1HG2 VAL 75 6.233 -4.285 -7.153 549 2HG2 VAL 75 2HG2 VAL 75 6.344 -2.943 -6.012 550 3HG2 VAL 75 3HG2 VAL 75 5.101 -2.940 -7.271 551 H SER 76 H SER 76 4.896 -5.555 -2.173 552 HA SER 76 HA SER 76 2.880 -7.533 -2.355 553 1HB SER 76 2HB SER 76 4.868 -8.838 -3.100 554 2HB SER 76 1HB SER 76 5.692 -8.409 -1.616 555 HG SER 76 HG SER 76 3.502 -10.092 -2.020 556 HA PRO 77 HA PRO 77 2.663 -6.126 2.001 557 1HB PRO 77 2HB PRO 77 0.952 -7.956 2.988 558 2HB PRO 77 1HB PRO 77 0.414 -6.692 1.887 559 1HG PRO 77 2HG PRO 77 1.025 -9.561 1.336 560 2HG PRO 77 1HG PRO 77 -0.294 -8.559 0.705 561 1HD PRO 77 2HD PRO 77 1.980 -9.147 -0.701 562 2HD PRO 77 1HD PRO 77 1.016 -7.682 -0.965 563 H SER 78 H SER 78 3.996 -9.038 1.025 564 HA SER 78 HA SER 78 4.593 -10.146 3.697 565 1HB SER 78 2HB SER 78 4.013 -11.610 1.691 566 2HB SER 78 1HB SER 78 5.506 -10.923 1.001 567 HG SER 78 HG SER 78 5.406 -13.066 2.391 568 H LEU 79 H LEU 79 6.399 -10.250 4.620 569 HA LEU 79 HA LEU 79 8.364 -8.497 3.474 570 1HB LEU 79 2HB LEU 79 7.958 -9.263 6.351 571 2HB LEU 79 1HB LEU 79 9.265 -8.272 5.717 572 HG LEU 79 HG LEU 79 6.342 -7.605 5.809 573 1HD1 LEU 79 1HD1 LEU 79 8.744 -6.194 6.923 574 2HD1 LEU 79 2HD1 LEU 79 7.555 -7.107 7.850 575 3HD1 LEU 79 3HD1 LEU 79 7.090 -5.619 7.019 576 1HD2 LEU 79 1HD2 LEU 79 6.907 -5.531 4.582 577 2HD2 LEU 79 2HD2 LEU 79 7.086 -6.995 3.629 578 3HD2 LEU 79 3HD2 LEU 79 8.525 -6.190 4.273 579 H GLU 80 H GLU 80 7.672 -11.397 3.284 580 HA GLU 80 HA GLU 80 8.678 -13.276 2.638 581 1HB GLU 80 2HB GLU 80 9.160 -11.603 0.933 582 2HB GLU 80 1HB GLU 80 10.738 -11.345 1.625 583 1HG GLU 80 2HG GLU 80 11.232 -13.751 1.251 584 2HG GLU 80 1HG GLU 80 9.601 -13.777 0.536 585 H GLY 81 H GLY 81 11.831 -11.865 2.851 586 1HA GLY 81 2HA GLY 81 12.371 -13.225 5.263 587 2HA GLY 81 1HA GLY 81 13.313 -13.761 3.860 588 H LEU 82 H LEU 82 12.144 -10.585 4.503 589 HA LEU 82 HA LEU 82 14.570 -9.267 3.923 590 1HB LEU 82 2HB LEU 82 11.967 -8.401 5.131 591 2HB LEU 82 1HB LEU 82 13.258 -7.298 4.707 592 HG LEU 82 HG LEU 82 12.127 -9.109 2.588 593 1HD1 LEU 82 1HD1 LEU 82 11.114 -6.430 3.479 594 2HD1 LEU 82 2HD1 LEU 82 10.287 -8.021 3.656 595 3HD1 LEU 82 3HD1 LEU 82 10.563 -7.363 2.052 596 1HD2 LEU 82 1HD2 LEU 82 14.187 -7.753 2.271 597 2HD2 LEU 82 2HD2 LEU 82 13.156 -6.339 2.594 598 3HD2 LEU 82 3HD2 LEU 82 12.846 -7.339 1.176 599 H THR 83 H THR 83 15.967 -8.231 5.311 600 HA THR 83 HA THR 83 15.978 -9.225 8.004 601 HB THR 83 HB THR 83 18.210 -8.095 8.081 602 HG1 THR 83 1HG THR 83 18.804 -7.780 5.635 603 1HG2 THR 83 1HG2 THR 83 17.770 -10.020 5.804 604 2HG2 THR 83 2HG2 THR 83 17.955 -10.464 7.494 605 3HG2 THR 83 3HG2 THR 83 19.307 -9.729 6.623 606 H GLU 84 H GLU 84 17.041 -7.392 9.521 607 HA GLU 84 HA GLU 84 14.924 -5.843 10.323 608 1HB GLU 84 2HB GLU 84 16.791 -6.476 11.754 609 2HB GLU 84 1HB GLU 84 17.850 -5.397 10.859 610 1HG GLU 84 2HG GLU 84 16.380 -3.510 11.537 611 2HG GLU 84 1HG GLU 84 15.495 -4.636 12.550 612 H LYS 85 H LYS 85 17.756 -4.778 8.383 613 HA LYS 85 HA LYS 85 16.827 -2.077 8.516 614 1HB LYS 85 2HB LYS 85 18.800 -1.404 7.503 615 2HB LYS 85 1HB LYS 85 19.285 -2.922 8.215 616 1HG LYS 85 2HG LYS 85 18.571 -2.397 5.386 617 2HG LYS 85 1HG LYS 85 20.223 -2.628 5.965 618 1HD LYS 85 2HD LYS 85 19.165 -5.071 6.627 619 2HD LYS 85 1HD LYS 85 17.965 -4.467 5.571 620 1HE LYS 85 2HE LYS 85 19.551 -5.857 4.330 621 2HE LYS 85 1HE LYS 85 19.399 -4.218 3.707 622 1HZ LYS 85 1HZ LYS 85 21.710 -4.940 3.782 623 2HZ LYS 85 2HZ LYS 85 21.604 -5.217 5.429 624 3HZ LYS 85 3HZ LYS 85 21.499 -3.659 4.852 625 H GLU 86 H GLU 86 16.250 -4.715 6.368 626 HA GLU 86 HA GLU 86 15.510 -3.366 4.037 627 1HB GLU 86 2HB GLU 86 14.882 -5.983 5.317 628 2HB GLU 86 1HB GLU 86 14.311 -5.557 3.733 629 1HG GLU 86 2HG GLU 86 17.198 -5.831 4.578 630 2HG GLU 86 1HG GLU 86 16.258 -7.014 3.714 631 H ILE 87 H ILE 87 13.832 -4.858 6.697 632 HA ILE 87 HA ILE 87 11.231 -4.091 6.053 633 HB ILE 87 HB ILE 87 12.594 -4.777 8.583 634 1HG1 ILE 87 2HG1 ILE 87 10.922 -6.495 6.746 635 2HG1 ILE 87 1HG1 ILE 87 12.657 -6.551 6.987 636 1HG2 ILE 87 1HG2 ILE 87 9.630 -4.609 8.001 637 2HG2 ILE 87 2HG2 ILE 87 10.527 -3.573 9.116 638 3HG2 ILE 87 3HG2 ILE 87 10.288 -5.294 9.492 639 1HD1 ILE 87 1HD1 ILE 87 11.556 -8.358 8.184 640 2HD1 ILE 87 2HD1 ILE 87 10.601 -7.161 9.082 641 3HD1 ILE 87 3HD1 ILE 87 12.348 -7.225 9.289 642 H ASN 88 H ASN 88 13.739 -2.629 8.133 643 HA ASN 88 HA ASN 88 12.139 -0.592 9.178 644 1HB ASN 88 2HB ASN 88 15.058 -0.954 9.010 645 2HB ASN 88 1HB ASN 88 14.449 0.672 9.318 646 1HD2 ASN 88 1HD2 ASN 88 14.690 -2.579 10.534 647 2HD2 ASN 88 2HD2 ASN 88 14.202 -2.216 12.155 648 H THR 89 H THR 89 13.821 -0.754 6.198 649 HA THR 89 HA THR 89 13.701 1.946 5.565 650 HB THR 89 HB THR 89 13.596 -0.461 3.727 651 HG1 THR 89 1HG THR 89 15.501 -0.455 4.976 652 1HG2 THR 89 1HG2 THR 89 14.471 1.097 2.044 653 2HG2 THR 89 2HG2 THR 89 14.327 2.402 3.252 654 3HG2 THR 89 3HG2 THR 89 12.875 1.582 2.655 655 H LEU 90 H LEU 90 11.266 -0.619 5.310 656 HA LEU 90 HA LEU 90 9.468 0.971 3.723 657 1HB LEU 90 2HB LEU 90 8.224 -0.905 3.560 658 2HB LEU 90 1HB LEU 90 9.634 -1.714 4.206 659 HG LEU 90 HG LEU 90 8.378 -1.015 6.441 660 1HD1 LEU 90 1HD1 LEU 90 6.135 -1.416 4.516 661 2HD1 LEU 90 2HD1 LEU 90 6.518 0.034 5.444 662 3HD1 LEU 90 3HD1 LEU 90 5.978 -1.427 6.275 663 1HD2 LEU 90 1HD2 LEU 90 7.473 -3.273 6.535 664 2HD2 LEU 90 2HD2 LEU 90 9.148 -3.219 5.920 665 3HD2 LEU 90 3HD2 LEU 90 7.776 -3.415 4.799 666 H ASN 91 H ASN 91 10.056 0.120 7.001 667 HA ASN 91 HA ASN 91 7.863 1.286 8.184 668 1HB ASN 91 2HB ASN 91 10.642 0.812 9.190 669 2HB ASN 91 1HB ASN 91 9.418 1.525 10.209 670 1HD2 ASN 91 1HD2 ASN 91 10.819 -1.036 10.533 671 2HD2 ASN 91 2HD2 ASN 91 9.607 -2.246 10.571 672 H ASP 92 H ASP 92 10.943 2.799 7.227 673 HA ASP 92 HA ASP 92 10.333 5.417 8.182 674 1HB ASP 92 2HB ASP 92 11.929 4.707 5.703 675 2HB ASP 92 1HB ASP 92 11.927 6.269 6.498 676 H TRP 93 H TRP 93 9.810 3.759 5.167 677 HA TRP 93 HA TRP 93 8.449 5.683 3.653 678 1HB TRP 93 2HB TRP 93 8.695 2.843 3.813 679 2HB TRP 93 1HB TRP 93 7.322 3.290 2.886 680 HD1 TRP 93 HD TRP 93 10.918 2.617 2.682 681 HE1 TRP 93 1HE TRP 93 11.940 3.405 0.469 682 HE3 TRP 93 3HE TRP 93 7.111 5.578 1.059 683 HZ2 TRP 93 2HZ TRP 93 11.228 5.077 -1.701 684 HZ3 TRP 93 3HZ TRP 93 7.348 6.745 -1.102 685 HH2 TRP 93 HH TRP 93 9.364 6.502 -2.445 686 H GLU 94 H GLU 94 7.060 3.333 5.809 687 HA GLU 94 HA GLU 94 4.432 4.158 5.384 688 1HB GLU 94 2HB GLU 94 5.198 2.048 6.532 689 2HB GLU 94 1HB GLU 94 5.534 3.040 7.943 690 1HG GLU 94 2HG GLU 94 3.172 3.779 7.932 691 2HG GLU 94 1HG GLU 94 3.010 2.664 6.539 692 H THR 95 H THR 95 6.860 5.197 7.665 693 HA THR 95 HA THR 95 5.474 6.984 9.241 694 HB THR 95 HB THR 95 8.345 7.119 8.310 695 HG1 THR 95 1HG THR 95 8.184 5.215 9.374 696 1HG2 THR 95 1HG2 THR 95 8.755 8.346 10.408 697 2HG2 THR 95 2HG2 THR 95 7.026 8.309 10.763 698 3HG2 THR 95 3HG2 THR 95 7.622 9.215 9.372 699 H LYS 96 H LYS 96 6.625 7.305 5.936 700 HA LYS 96 HA LYS 96 6.463 10.166 5.892 701 1HB LYS 96 2HB LYS 96 6.758 8.130 3.674 702 2HB LYS 96 1HB LYS 96 6.811 9.872 3.424 703 1HG LYS 96 2HG LYS 96 8.768 10.030 4.884 704 2HG LYS 96 1HG LYS 96 8.706 8.291 5.152 705 1HD LYS 96 2HD LYS 96 9.156 7.871 2.870 706 2HD LYS 96 1HD LYS 96 9.100 9.600 2.458 707 1HE LYS 96 2HE LYS 96 11.014 9.937 4.033 708 2HE LYS 96 1HE LYS 96 11.072 8.197 4.269 709 1HZ LYS 96 1HZ LYS 96 12.691 8.957 2.663 710 2HZ LYS 96 2HZ LYS 96 11.513 9.592 1.679 711 3HZ LYS 96 3HZ LYS 96 11.607 7.921 1.924 712 H PHE 97 H PHE 97 4.616 7.459 4.792 713 HA PHE 97 HA PHE 97 2.409 8.879 3.829 714 1HB PHE 97 2HB PHE 97 2.823 6.133 4.901 715 2HB PHE 97 1HB PHE 97 1.223 6.662 4.436 716 HD1 PHE 97 1HD PHE 97 4.678 6.148 3.185 717 HD2 PHE 97 2HD PHE 97 0.579 6.620 2.174 718 HE1 PHE 97 1HE PHE 97 5.174 5.512 0.863 719 HE2 PHE 97 2HE PHE 97 1.074 5.995 -0.137 720 HZ PHE 97 HZ PHE 97 3.375 5.434 -0.795 721 H GLU 98 H GLU 98 3.223 7.617 6.962 722 HA GLU 98 HA GLU 98 1.030 8.283 8.480 723 1HB GLU 98 2HB GLU 98 3.890 7.966 8.929 724 2HB GLU 98 1HB GLU 98 3.051 8.481 10.331 725 1HG GLU 98 2HG GLU 98 2.592 5.977 8.721 726 2HG GLU 98 1HG GLU 98 3.320 6.094 10.319 727 H ALA 99 H ALA 99 3.212 10.491 6.967 728 HA ALA 99 HA ALA 99 2.484 12.572 8.862 729 1HB ALA 99 1HB ALA 99 4.350 13.835 7.936 730 2HB ALA 99 2HB ALA 99 4.680 12.532 6.791 731 3HB ALA 99 3HB ALA 99 4.879 12.259 8.520 732 H LYS 100 H LYS 100 1.469 11.300 5.900 733 HA LYS 100 HA LYS 100 0.292 13.859 5.227 734 1HB LYS 100 2HB LYS 100 1.883 12.167 3.350 735 2HB LYS 100 1HB LYS 100 0.740 13.276 2.714 736 1HG LYS 100 2HG LYS 100 2.633 14.548 2.552 737 2HG LYS 100 1HG LYS 100 2.169 14.990 4.193 738 1HD LYS 100 2HD LYS 100 4.476 14.464 4.245 739 2HD LYS 100 1HD LYS 100 3.623 13.104 4.980 740 1HE LYS 100 2HE LYS 100 5.250 12.192 3.518 741 2HE LYS 100 1HE LYS 100 3.702 11.945 2.781 742 1HZ LYS 100 1HZ LYS 100 4.108 13.901 1.335 743 2HZ LYS 100 2HZ LYS 100 5.215 12.673 1.150 744 3HZ LYS 100 3HZ LYS 100 5.658 14.043 2.018 745 H TYR 101 H TYR 101 0.503 10.609 3.965 746 HA TYR 101 HA TYR 101 -2.167 10.668 2.985 747 1HB TYR 101 2HB TYR 101 -0.135 8.468 3.122 748 2HB TYR 101 1HB TYR 101 -1.665 8.376 2.260 749 HD1 TYR 101 1HD TYR 101 1.765 9.390 2.064 750 HD2 TYR 101 2HD TYR 101 -2.079 10.126 0.424 751 HE1 TYR 101 1HE TYR 101 2.807 10.479 0.130 752 HE2 TYR 101 2HE TYR 101 -1.046 11.209 -1.520 753 HH TYR 101 HH TYR 101 1.026 12.353 -2.023 754 HA PRO 102 HA PRO 102 -4.062 9.086 6.695 755 1HB PRO 102 2HB PRO 102 -6.583 9.067 5.856 756 2HB PRO 102 1HB PRO 102 -5.724 10.594 6.086 757 1HG PRO 102 2HG PRO 102 -6.207 9.062 3.568 758 2HG PRO 102 1HG PRO 102 -6.430 10.795 3.853 759 1HD PRO 102 2HD PRO 102 -4.193 9.791 2.655 760 2HD PRO 102 1HD PRO 102 -4.182 11.240 3.691 761 H VAL 103 H VAL 103 -4.551 7.161 7.471 762 HA VAL 103 HA VAL 103 -4.685 4.849 5.725 763 HB VAL 103 HB VAL 103 -4.937 4.987 8.765 764 1HG1 VAL 103 1HG1 VAL 103 -4.618 2.590 6.950 765 2HG1 VAL 103 2HG1 VAL 103 -6.066 3.010 7.860 766 3HG1 VAL 103 3HG1 VAL 103 -4.591 2.548 8.712 767 1HG2 VAL 103 1HG2 VAL 103 -2.699 5.611 7.952 768 2HG2 VAL 103 2HG2 VAL 103 -2.629 4.094 7.042 769 3HG2 VAL 103 3HG2 VAL 103 -2.677 4.062 8.787 770 H VAL 104 H VAL 104 -6.475 4.541 4.728 771 HA VAL 104 HA VAL 104 -8.987 5.312 6.017 772 HB VAL 104 HB VAL 104 -10.029 5.141 3.759 773 1HG1 VAL 104 1HG1 VAL 104 -8.966 7.166 2.857 774 2HG1 VAL 104 2HG1 VAL 104 -7.605 6.930 3.950 775 3HG1 VAL 104 3HG1 VAL 104 -9.206 7.284 4.600 776 1HG2 VAL 104 1HG2 VAL 104 -7.185 4.691 2.856 777 2HG2 VAL 104 2HG2 VAL 104 -8.560 4.991 1.799 778 3HG2 VAL 104 3HG2 VAL 104 -8.498 3.512 2.764 779 H GLY 105 H GLY 105 -7.235 2.578 5.767 780 1HA GLY 105 2HA GLY 105 -9.135 1.025 6.892 781 2HA GLY 105 1HA GLY 105 -9.338 0.690 5.205 782 H ARG 106 H ARG 106 -8.709 -1.458 5.592 783 HA ARG 106 HA ARG 106 -5.806 -1.818 6.034 784 1HB ARG 106 2HB ARG 106 -6.315 -4.038 6.856 785 2HB ARG 106 1HB ARG 106 -6.910 -2.864 7.962 786 1HG ARG 106 2HG ARG 106 -9.154 -3.205 7.189 787 2HG ARG 106 1HG ARG 106 -8.537 -4.287 5.926 788 1HD ARG 106 2HD ARG 106 -9.373 -5.518 7.858 789 2HD ARG 106 1HD ARG 106 -7.643 -5.717 7.458 790 HE ARG 106 HE ARG 106 -8.100 -3.687 9.427 791 1HH1 ARG 106 1HH1 ARG 106 -7.740 -7.200 9.090 792 2HH1 ARG 106 2HH1 ARG 106 -7.214 -7.433 10.690 793 1HH2 ARG 106 1HH2 ARG 106 -7.384 -4.042 11.637 794 2HH2 ARG 106 2HH2 ARG 106 -7.022 -5.614 12.146 795 H VAL 107 H VAL 107 -4.925 -3.582 4.957 796 HA VAL 107 HA VAL 107 -6.743 -4.748 3.062 797 HB VAL 107 HB VAL 107 -4.892 -3.400 1.940 798 1HG1 VAL 107 1HG1 VAL 107 -3.210 -5.586 3.012 799 2HG1 VAL 107 2HG1 VAL 107 -3.094 -3.830 3.350 800 3HG1 VAL 107 3HG1 VAL 107 -2.749 -4.460 1.728 801 1HG2 VAL 107 1HG2 VAL 107 -6.159 -5.038 0.810 802 2HG2 VAL 107 2HG2 VAL 107 -5.178 -6.296 1.519 803 3HG2 VAL 107 3HG2 VAL 107 -4.459 -5.213 0.283 804 H VAL 108 H VAL 108 -6.732 -6.842 2.915 805 HA VAL 108 HA VAL 108 -5.186 -8.330 4.902 806 HB VAL 108 HB VAL 108 -7.287 -9.606 5.406 807 1HG1 VAL 108 1HG1 VAL 108 -6.718 -7.547 6.695 808 2HG1 VAL 108 2HG1 VAL 108 -8.509 -7.723 6.446 809 3HG1 VAL 108 3HG1 VAL 108 -7.569 -6.678 5.406 810 1HG2 VAL 108 1HG2 VAL 108 -9.386 -8.806 4.622 811 2HG2 VAL 108 2HG2 VAL 108 -8.366 -9.106 3.168 812 3HG2 VAL 108 3HG2 VAL 108 -8.556 -7.466 3.869 813 H SER 109 H SER 109 -4.370 -10.235 4.054 814 HA SER 109 HA SER 109 -5.717 -11.267 1.759 815 1HB SER 109 2HB SER 109 -3.706 -11.314 0.342 816 2HB SER 109 1HB SER 109 -4.215 -9.690 0.862 817 HG SER 109 HG SER 109 -2.393 -11.022 2.428 Start of MODEL 5 1 1H MET 1 1HT MET 1 -13.679 -9.217 4.796 2 2H MET 1 2HT MET 1 -12.784 -10.630 5.081 3 3H MET 1 3HT MET 1 -14.457 -10.695 4.946 4 HA MET 1 HA MET 1 -12.686 -9.808 2.789 5 1HB MET 1 2HB MET 1 -14.134 -12.466 3.077 6 2HB MET 1 1HB MET 1 -13.240 -11.939 1.670 7 1HG MET 1 2HG MET 1 -11.919 -13.524 2.891 8 2HG MET 1 1HG MET 1 -11.166 -11.939 3.020 9 1HE MET 1 1HE MET 1 -9.665 -12.882 5.020 10 2HE MET 1 2HE MET 1 -10.460 -14.452 4.882 11 3HE MET 1 3HE MET 1 -10.330 -13.661 6.455 12 H GLY 2 H GLY 2 -13.839 -8.251 1.922 13 1HA GLY 2 2HA GLY 2 -15.518 -7.516 0.492 14 2HA GLY 2 1HA GLY 2 -16.437 -8.965 0.860 15 H HIS 3 H HIS 3 -15.236 -7.230 3.596 16 HA HIS 3 HA HIS 3 -17.866 -5.963 3.880 17 1HB HIS 3 2HB HIS 3 -16.061 -6.969 6.115 18 2HB HIS 3 1HB HIS 3 -17.522 -6.040 6.356 19 HD1 HIS 3 1HD HIS 3 -19.652 -7.346 6.600 20 HD2 HIS 3 2HD HIS 3 -16.577 -9.640 5.015 21 HE1 HIS 3 1HE HIS 3 -20.518 -9.689 6.554 22 HE2 HIS 3 2HE HIS 3 -18.569 -11.078 5.789 23 H HIS 4 H HIS 4 -17.225 -4.115 2.891 24 HA HIS 4 HA HIS 4 -14.714 -2.934 3.416 25 1HB HIS 4 2HB HIS 4 -15.770 -2.594 1.262 26 2HB HIS 4 1HB HIS 4 -17.129 -1.773 2.022 27 HD1 HIS 4 1HD HIS 4 -16.979 0.704 1.860 28 HD2 HIS 4 2HD HIS 4 -13.212 -1.051 1.857 29 HE1 HIS 4 1HE HIS 4 -15.371 2.579 1.592 30 HE2 HIS 4 2HE HIS 4 -13.136 1.558 1.890 31 H HIS 5 H HIS 5 -17.975 -2.033 4.492 32 HA HIS 5 HA HIS 5 -16.707 0.059 6.040 33 1HB HIS 5 2HB HIS 5 -18.694 0.688 4.725 34 2HB HIS 5 1HB HIS 5 -19.660 -0.462 5.640 35 HD1 HIS 5 1HD HIS 5 -20.652 0.366 7.818 36 HD2 HIS 5 2HD HIS 5 -17.772 2.943 6.305 37 HE1 HIS 5 1HE HIS 5 -20.725 2.396 9.282 38 HE2 HIS 5 2HE HIS 5 -18.780 3.776 8.522 39 H HIS 6 H HIS 6 -15.986 -0.446 7.917 40 HA HIS 6 HA HIS 6 -17.561 -2.212 9.654 41 1HB HIS 6 2HB HIS 6 -14.607 -1.506 9.740 42 2HB HIS 6 1HB HIS 6 -15.423 -2.293 11.078 43 HD1 HIS 6 1HD HIS 6 -15.998 -4.784 10.792 44 HD2 HIS 6 2HD HIS 6 -14.029 -3.125 7.544 45 HE1 HIS 6 1HE HIS 6 -15.244 -6.733 9.407 46 HE2 HIS 6 2HE HIS 6 -13.830 -5.723 7.614 47 H HIS 7 H HIS 7 -16.640 -1.349 12.125 48 HA HIS 7 HA HIS 7 -17.354 1.477 12.037 49 1HB HIS 7 2HB HIS 7 -19.163 0.121 13.021 50 2HB HIS 7 1HB HIS 7 -18.050 -0.516 14.218 51 HD1 HIS 7 1HD HIS 7 -18.003 0.718 16.375 52 HD2 HIS 7 2HD HIS 7 -19.577 3.034 13.314 53 HE1 HIS 7 1HE HIS 7 -18.829 2.820 17.479 54 HE2 HIS 7 2HE HIS 7 -19.525 4.296 15.567 55 H HIS 8 H HIS 8 -15.042 1.569 11.674 56 HA HIS 8 HA HIS 8 -13.679 2.709 13.782 57 1HB HIS 8 2HB HIS 8 -13.435 0.369 14.673 58 2HB HIS 8 1HB HIS 8 -12.614 -0.080 13.186 59 HD1 HIS 8 1HD HIS 8 -10.156 -0.115 13.457 60 HD2 HIS 8 2HD HIS 8 -11.932 2.699 15.937 61 HE1 HIS 8 1HE HIS 8 -8.267 0.955 14.726 62 HE2 HIS 8 2HE HIS 8 -9.412 2.432 16.408 63 H LEU 9 H LEU 9 -13.153 0.622 10.946 64 HA LEU 9 HA LEU 9 -12.148 2.764 9.447 65 1HB LEU 9 2HB LEU 9 -9.959 1.699 8.894 66 2HB LEU 9 1HB LEU 9 -10.066 2.378 10.492 67 HG LEU 9 HG LEU 9 -10.375 0.042 11.377 68 1HD1 LEU 9 1HD1 LEU 9 -9.674 -1.839 9.985 69 2HD1 LEU 9 2HD1 LEU 9 -9.566 -0.768 8.589 70 3HD1 LEU 9 3HD1 LEU 9 -11.130 -1.074 9.346 71 1HD2 LEU 9 1HD2 LEU 9 -8.002 -0.503 11.190 72 2HD2 LEU 9 2HD2 LEU 9 -8.300 1.222 11.481 73 3HD2 LEU 9 3HD2 LEU 9 -7.877 0.663 9.862 74 H GLU 10 H GLU 10 -11.355 1.791 7.195 75 HA GLU 10 HA GLU 10 -13.521 -0.022 6.542 76 1HB GLU 10 2HB GLU 10 -13.265 0.817 4.207 77 2HB GLU 10 1HB GLU 10 -13.726 2.037 5.377 78 1HG GLU 10 2HG GLU 10 -11.374 2.809 5.437 79 2HG GLU 10 1HG GLU 10 -10.988 1.618 4.198 80 H GLU 11 H GLU 11 -13.298 -1.949 5.633 81 HA GLU 11 HA GLU 11 -10.668 -3.077 5.435 82 1HB GLU 11 2HB GLU 11 -12.137 -4.359 6.696 83 2HB GLU 11 1HB GLU 11 -13.448 -4.176 5.541 84 1HG GLU 11 2HG GLU 11 -12.239 -5.483 3.953 85 2HG GLU 11 1HG GLU 11 -10.914 -5.783 5.031 86 H PHE 12 H PHE 12 -9.761 -3.508 3.636 87 HA PHE 12 HA PHE 12 -11.326 -3.774 1.198 88 1HB PHE 12 2HB PHE 12 -8.436 -3.003 1.612 89 2HB PHE 12 1HB PHE 12 -9.212 -3.513 0.145 90 HD1 PHE 12 1HD PHE 12 -10.619 -1.997 -1.101 91 HD2 PHE 12 2HD PHE 12 -9.050 -0.857 2.683 92 HE1 PHE 12 1HE PHE 12 -11.284 0.324 -1.530 93 HE2 PHE 12 2HE PHE 12 -9.718 1.467 2.262 94 HZ PHE 12 HZ PHE 12 -10.833 2.060 0.153 95 H THR 13 H THR 13 -11.155 -5.738 0.268 96 HA THR 13 HA THR 13 -9.245 -7.527 1.530 97 HB THR 13 HB THR 13 -11.365 -8.297 -0.486 98 HG1 THR 13 1HG THR 13 -11.863 -7.263 1.798 99 1HG2 THR 13 1HG2 THR 13 -9.587 -9.859 -0.122 100 2HG2 THR 13 2HG2 THR 13 -11.079 -10.501 0.629 101 3HG2 THR 13 3HG2 THR 13 -9.805 -9.718 1.612 102 H ALA 14 H ALA 14 -7.874 -8.766 0.110 103 HA ALA 14 HA ALA 14 -6.306 -6.994 -1.402 104 1HB ALA 14 1HB ALA 14 -5.395 -8.990 -0.324 105 2HB ALA 14 2HB ALA 14 -4.889 -8.857 -2.008 106 3HB ALA 14 3HB ALA 14 -6.159 -9.993 -1.555 107 H GLU 15 H GLU 15 -8.373 -9.570 -2.694 108 HA GLU 15 HA GLU 15 -7.812 -9.136 -5.405 109 1HB GLU 15 2HB GLU 15 -10.497 -10.010 -4.313 110 2HB GLU 15 1HB GLU 15 -9.874 -10.313 -5.920 111 1HG GLU 15 2HG GLU 15 -9.651 -12.361 -4.849 112 2HG GLU 15 1HG GLU 15 -8.037 -11.674 -4.724 113 H GLN 16 H GLN 16 -10.030 -7.628 -3.266 114 HA GLN 16 HA GLN 16 -11.408 -6.106 -5.208 115 1HB GLN 16 2HB GLN 16 -11.369 -6.181 -2.242 116 2HB GLN 16 1HB GLN 16 -12.342 -4.998 -3.098 117 1HG GLN 16 2HG GLN 16 -13.703 -6.623 -4.049 118 2HG GLN 16 1HG GLN 16 -12.525 -7.904 -3.772 119 1HE2 GLN 16 1HE2 GLN 16 -12.380 -8.816 -1.885 120 2HE2 GLN 16 2HE2 GLN 16 -13.460 -8.608 -0.587 121 H LEU 17 H LEU 17 -8.845 -5.499 -2.863 122 HA LEU 17 HA LEU 17 -8.590 -2.696 -3.049 123 1HB LEU 17 2HB LEU 17 -7.585 -4.254 -1.307 124 2HB LEU 17 1HB LEU 17 -6.409 -4.736 -2.494 125 HG LEU 17 HG LEU 17 -5.352 -3.200 -0.913 126 1HD1 LEU 17 1HD1 LEU 17 -4.491 -3.050 -3.023 127 2HD1 LEU 17 2HD1 LEU 17 -4.510 -1.489 -2.180 128 3HD1 LEU 17 3HD1 LEU 17 -5.696 -1.827 -3.450 129 1HD2 LEU 17 1HD2 LEU 17 -7.322 -2.066 -0.099 130 2HD2 LEU 17 2HD2 LEU 17 -7.464 -1.201 -1.635 131 3HD2 LEU 17 3HD2 LEU 17 -6.063 -0.937 -0.592 132 H SER 18 H SER 18 -7.253 -5.339 -4.936 133 HA SER 18 HA SER 18 -5.311 -3.971 -6.414 134 1HB SER 18 2HB SER 18 -5.554 -6.465 -6.270 135 2HB SER 18 1HB SER 18 -6.965 -6.334 -7.291 136 HG SER 18 HG SER 18 -5.277 -5.043 -8.651 137 H GLN 19 H GLN 19 -8.667 -3.643 -6.538 138 HA GLN 19 HA GLN 19 -8.766 -2.975 -9.360 139 1HB GLN 19 2HB GLN 19 -10.945 -2.994 -7.279 140 2HB GLN 19 1HB GLN 19 -11.152 -2.918 -9.030 141 1HG GLN 19 2HG GLN 19 -10.103 -5.178 -9.212 142 2HG GLN 19 1HG GLN 19 -9.942 -5.177 -7.489 143 1HE2 GLN 19 1HE2 GLN 19 -11.115 -7.010 -7.317 144 2HE2 GLN 19 2HE2 GLN 19 -12.839 -7.051 -7.446 145 H TYR 20 H TYR 20 -8.101 -1.484 -6.431 146 HA TYR 20 HA TYR 20 -8.991 1.091 -7.450 147 1HB TYR 20 2HB TYR 20 -8.389 0.252 -4.609 148 2HB TYR 20 1HB TYR 20 -8.684 1.913 -5.115 149 HD1 TYR 20 1HD TYR 20 -10.880 2.642 -5.796 150 HD2 TYR 20 2HD TYR 20 -10.230 -1.359 -4.508 151 HE1 TYR 20 1HE TYR 20 -13.297 2.333 -5.564 152 HE2 TYR 20 2HE TYR 20 -12.658 -1.677 -4.274 153 HH TYR 20 HH TYR 20 -14.633 -0.338 -3.961 154 H ASN 21 H ASN 21 -7.259 1.162 -8.865 155 HA ASN 21 HA ASN 21 -4.814 2.041 -7.545 156 1HB ASN 21 2HB ASN 21 -3.449 0.992 -9.346 157 2HB ASN 21 1HB ASN 21 -4.303 -0.164 -8.344 158 1HD2 ASN 21 1HD2 ASN 21 -4.176 -1.743 -9.880 159 2HD2 ASN 21 2HD2 ASN 21 -5.113 -1.718 -11.328 160 H GLY 22 H GLY 22 -7.281 2.867 -9.541 161 1HA GLY 22 2HA GLY 22 -7.573 5.069 -10.202 162 2HA GLY 22 1HA GLY 22 -5.839 5.288 -10.199 163 H THR 23 H THR 23 -6.693 2.484 -11.928 164 HA THR 23 HA THR 23 -6.258 4.085 -14.323 165 HB THR 23 HB THR 23 -4.730 2.162 -13.942 166 HG1 THR 23 1HG THR 23 -4.954 2.889 -16.037 167 1HG2 THR 23 1HG2 THR 23 -7.162 0.490 -14.588 168 2HG2 THR 23 2HG2 THR 23 -6.298 0.525 -13.051 169 3HG2 THR 23 3HG2 THR 23 -5.510 -0.119 -14.491 170 H ASP 24 H ASP 24 -8.721 2.066 -12.873 171 HA ASP 24 HA ASP 24 -10.127 1.970 -15.370 172 1HB ASP 24 2HB ASP 24 -10.257 0.018 -13.786 173 2HB ASP 24 1HB ASP 24 -11.070 1.065 -12.660 174 H GLU 25 H GLU 25 -10.740 4.038 -15.866 175 HA GLU 25 HA GLU 25 -11.827 6.026 -15.863 176 1HB GLU 25 2HB GLU 25 -13.662 4.673 -13.870 177 2HB GLU 25 1HB GLU 25 -13.996 6.198 -14.667 178 1HG GLU 25 2HG GLU 25 -13.942 5.005 -16.841 179 2HG GLU 25 1HG GLU 25 -13.766 3.489 -15.950 180 H SER 26 H SER 26 -9.820 5.302 -13.873 181 HA SER 26 HA SER 26 -8.674 6.110 -12.175 182 1HB SER 26 2HB SER 26 -8.641 8.196 -13.393 183 2HB SER 26 1HB SER 26 -10.243 8.620 -12.790 184 HG SER 26 HG SER 26 -9.391 8.729 -10.749 185 H LYS 27 H LYS 27 -10.136 4.429 -11.121 186 HA LYS 27 HA LYS 27 -12.055 5.283 -9.210 187 1HB LYS 27 2HB LYS 27 -10.223 2.860 -9.067 188 2HB LYS 27 1HB LYS 27 -11.637 3.118 -8.071 189 1HG LYS 27 2HG LYS 27 -12.993 3.039 -10.256 190 2HG LYS 27 1HG LYS 27 -11.496 2.540 -11.002 191 1HD LYS 27 2HD LYS 27 -11.322 0.616 -9.577 192 2HD LYS 27 1HD LYS 27 -12.749 1.114 -8.674 193 1HE LYS 27 2HE LYS 27 -12.678 0.357 -11.594 194 2HE LYS 27 1HE LYS 27 -13.263 -0.652 -10.275 195 1HZ LYS 27 1HZ LYS 27 -14.449 1.952 -11.117 196 2HZ LYS 27 2HZ LYS 27 -15.046 0.958 -9.883 197 3HZ LYS 27 3HZ LYS 27 -15.047 0.428 -11.470 198 HA PRO 28 HA PRO 28 -9.647 7.053 -5.829 199 1HB PRO 28 2HB PRO 28 -10.736 4.790 -4.198 200 2HB PRO 28 1HB PRO 28 -10.671 6.511 -3.794 201 1HG PRO 28 2HG PRO 28 -12.946 5.428 -4.558 202 2HG PRO 28 1HG PRO 28 -12.477 7.029 -5.166 203 1HD PRO 28 2HD PRO 28 -12.457 4.392 -6.560 204 2HD PRO 28 1HD PRO 28 -12.791 6.010 -7.212 205 H ILE 29 H ILE 29 -7.608 6.707 -5.136 206 HA ILE 29 HA ILE 29 -6.462 4.121 -5.931 207 HB ILE 29 HB ILE 29 -4.979 6.738 -5.571 208 1HG1 ILE 29 2HG1 ILE 29 -6.012 5.500 -8.128 209 2HG1 ILE 29 1HG1 ILE 29 -6.735 6.896 -7.348 210 1HG2 ILE 29 1HG2 ILE 29 -3.635 4.654 -5.477 211 2HG2 ILE 29 2HG2 ILE 29 -3.268 5.589 -6.925 212 3HG2 ILE 29 3HG2 ILE 29 -4.303 4.164 -7.033 213 1HD1 ILE 29 1HD1 ILE 29 -3.934 6.766 -8.382 214 2HD1 ILE 29 2HD1 ILE 29 -4.764 8.191 -7.729 215 3HD1 ILE 29 3HD1 ILE 29 -5.318 7.443 -9.230 216 H TYR 30 H TYR 30 -5.569 2.878 -4.417 217 HA TYR 30 HA TYR 30 -4.824 4.067 -1.821 218 1HB TYR 30 2HB TYR 30 -6.335 1.486 -2.261 219 2HB TYR 30 1HB TYR 30 -5.724 2.097 -0.731 220 HD1 TYR 30 1HD TYR 30 -8.434 2.177 -3.104 221 HD2 TYR 30 2HD TYR 30 -6.739 4.175 0.234 222 HE1 TYR 30 1HE TYR 30 -10.563 3.350 -2.727 223 HE2 TYR 30 2HE TYR 30 -8.863 5.350 0.611 224 HH TYR 30 HH TYR 30 -10.793 6.021 -0.679 225 H VAL 31 H VAL 31 -3.317 3.031 -0.703 226 HA VAL 31 HA VAL 31 -1.796 0.951 -2.113 227 HB VAL 31 HB VAL 31 0.265 1.837 -1.079 228 1HG1 VAL 31 1HG1 VAL 31 -1.056 3.867 -2.873 229 2HG1 VAL 31 2HG1 VAL 31 -0.132 2.431 -3.371 230 3HG1 VAL 31 3HG1 VAL 31 0.672 3.731 -2.508 231 1HG2 VAL 31 1HG2 VAL 31 -0.669 3.018 0.759 232 2HG2 VAL 31 2HG2 VAL 31 -1.421 4.187 -0.336 233 3HG2 VAL 31 3HG2 VAL 31 0.342 4.114 -0.191 234 H ALA 32 H ALA 32 -0.561 -0.403 -0.556 235 HA ALA 32 HA ALA 32 -1.674 -0.196 2.123 236 1HB ALA 32 1HB ALA 32 -1.936 -2.620 2.237 237 2HB ALA 32 2HB ALA 32 -1.420 -2.770 0.555 238 3HB ALA 32 3HB ALA 32 -2.915 -1.931 0.949 239 H ILE 33 H ILE 33 -0.299 -0.375 3.684 240 HA ILE 33 HA ILE 33 2.392 -1.498 3.204 241 HB ILE 33 HB ILE 33 1.679 0.967 4.831 242 1HG1 ILE 33 2HG1 ILE 33 3.130 0.760 2.200 243 2HG1 ILE 33 1HG1 ILE 33 1.598 1.556 2.507 244 1HG2 ILE 33 1HG2 ILE 33 3.503 -0.137 5.889 245 2HG2 ILE 33 2HG2 ILE 33 4.090 1.313 5.038 246 3HG2 ILE 33 3HG2 ILE 33 4.375 -0.269 4.351 247 1HD1 ILE 33 1HD1 ILE 33 4.248 2.354 3.637 248 2HD1 ILE 33 2HD1 ILE 33 2.724 3.197 3.935 249 3HD1 ILE 33 3HD1 ILE 33 3.431 3.172 2.305 250 H LYS 34 H LYS 34 2.458 -3.266 4.534 251 HA LYS 34 HA LYS 34 1.914 -4.735 6.171 252 1HB LYS 34 2HB LYS 34 2.304 -2.180 7.624 253 2HB LYS 34 1HB LYS 34 1.608 -3.519 8.543 254 1HG LYS 34 2HG LYS 34 4.227 -3.539 7.046 255 2HG LYS 34 1HG LYS 34 4.028 -3.358 8.796 256 1HD LYS 34 2HD LYS 34 2.842 -5.543 8.826 257 2HD LYS 34 1HD LYS 34 3.232 -5.749 7.130 258 1HE LYS 34 2HE LYS 34 5.604 -5.672 7.650 259 2HE LYS 34 1HE LYS 34 5.226 -5.432 9.354 260 1HZ LYS 34 1HZ LYS 34 5.742 -7.745 8.870 261 2HZ LYS 34 2HZ LYS 34 4.473 -7.847 7.771 262 3HZ LYS 34 3HZ LYS 34 4.161 -7.598 9.401 263 H GLY 35 H GLY 35 -0.193 -3.785 4.594 264 1HA GLY 35 2HA GLY 35 -2.392 -4.393 4.500 265 2HA GLY 35 1HA GLY 35 -2.443 -4.659 6.220 266 H ARG 36 H ARG 36 -1.032 -1.811 6.083 267 HA ARG 36 HA ARG 36 -3.409 -0.364 6.780 268 1HB ARG 36 2HB ARG 36 -0.547 0.507 6.436 269 2HB ARG 36 1HB ARG 36 -1.812 1.507 7.119 270 1HG ARG 36 2HG ARG 36 -2.034 0.071 8.994 271 2HG ARG 36 1HG ARG 36 -0.983 -1.136 8.278 272 1HD ARG 36 2HD ARG 36 0.252 0.073 9.935 273 2HD ARG 36 1HD ARG 36 0.859 0.534 8.345 274 HE ARG 36 HE ARG 36 -1.200 2.239 9.271 275 1HH1 ARG 36 1HH1 ARG 36 2.363 1.666 9.448 276 2HH1 ARG 36 2HH1 ARG 36 2.658 3.224 10.025 277 1HH2 ARG 36 1HH2 ARG 36 -0.681 4.389 10.081 278 2HH2 ARG 36 2HH2 ARG 36 0.954 4.760 10.375 279 H VAL 37 H VAL 37 -4.686 0.348 5.283 280 HA VAL 37 HA VAL 37 -3.661 0.906 2.641 281 HB VAL 37 HB VAL 37 -6.496 0.707 3.691 282 1HG1 VAL 37 1HG1 VAL 37 -6.350 2.348 1.872 283 2HG1 VAL 37 2HG1 VAL 37 -7.188 0.877 1.360 284 3HG1 VAL 37 3HG1 VAL 37 -5.497 1.145 0.899 285 1HG2 VAL 37 1HG2 VAL 37 -6.563 -1.280 2.289 286 2HG2 VAL 37 2HG2 VAL 37 -5.299 -1.395 3.515 287 3HG2 VAL 37 3HG2 VAL 37 -4.877 -1.025 1.843 288 H PHE 38 H PHE 38 -3.069 2.800 2.120 289 HA PHE 38 HA PHE 38 -4.182 5.168 3.487 290 1HB PHE 38 2HB PHE 38 -1.665 4.848 1.870 291 2HB PHE 38 1HB PHE 38 -2.201 6.364 2.579 292 HD1 PHE 38 1HD PHE 38 -0.748 3.054 3.243 293 HD2 PHE 38 2HD PHE 38 -1.895 6.782 4.933 294 HE1 PHE 38 1HE PHE 38 0.536 2.530 5.273 295 HE2 PHE 38 2HE PHE 38 -0.617 6.252 6.963 296 HZ PHE 38 HZ PHE 38 0.601 4.130 7.132 297 H ASP 39 H ASP 39 -5.075 6.793 2.274 298 HA ASP 39 HA ASP 39 -5.796 6.081 -0.464 299 1HB ASP 39 2HB ASP 39 -7.591 6.972 0.992 300 2HB ASP 39 1HB ASP 39 -6.672 8.456 1.202 301 H VAL 40 H VAL 40 -4.603 6.670 -2.062 302 HA VAL 40 HA VAL 40 -2.948 9.082 -1.786 303 HB VAL 40 HB VAL 40 -1.508 8.079 -3.602 304 1HG1 VAL 40 1HG1 VAL 40 -1.717 6.479 -1.049 305 2HG1 VAL 40 2HG1 VAL 40 -0.814 7.993 -1.294 306 3HG1 VAL 40 3HG1 VAL 40 -0.346 6.535 -2.170 307 1HG2 VAL 40 1HG2 VAL 40 -1.633 5.671 -3.965 308 2HG2 VAL 40 2HG2 VAL 40 -3.094 6.499 -4.497 309 3HG2 VAL 40 3HG2 VAL 40 -3.093 5.602 -2.976 310 H THR 41 H THR 41 -5.763 8.702 -2.737 311 HA THR 41 HA THR 41 -5.893 9.044 -5.515 312 HB THR 41 HB THR 41 -7.805 10.101 -3.416 313 HG1 THR 41 1HG THR 41 -8.026 8.001 -3.004 314 1HG2 THR 41 1HG2 THR 41 -8.247 9.278 -6.297 315 2HG2 THR 41 2HG2 THR 41 -8.230 10.934 -5.697 316 3HG2 THR 41 3HG2 THR 41 -9.502 9.822 -5.183 317 H THR 42 H THR 42 -5.257 11.263 -2.878 318 HA THR 42 HA THR 42 -5.603 13.666 -4.338 319 HB THR 42 HB THR 42 -5.648 13.612 -1.845 320 HG1 THR 42 1HG THR 42 -4.593 15.419 -3.326 321 1HG2 THR 42 1HG2 THR 42 -3.550 13.452 -0.567 322 2HG2 THR 42 2HG2 THR 42 -2.667 13.132 -2.058 323 3HG2 THR 42 3HG2 THR 42 -3.847 11.964 -1.470 324 H GLY 43 H GLY 43 -3.111 11.309 -4.222 325 1HA GLY 43 2HA GLY 43 -1.251 13.108 -5.603 326 2HA GLY 43 1HA GLY 43 -0.765 11.713 -4.647 327 H LYS 44 H LYS 44 -3.407 11.976 -7.022 328 HA LYS 44 HA LYS 44 -3.127 9.510 -8.114 329 1HB LYS 44 2HB LYS 44 -5.026 11.020 -8.251 330 2HB LYS 44 1HB LYS 44 -4.122 12.043 -9.359 331 1HG LYS 44 2HG LYS 44 -3.959 10.111 -10.895 332 2HG LYS 44 1HG LYS 44 -5.005 9.234 -9.795 333 1HD LYS 44 2HD LYS 44 -5.691 11.773 -11.237 334 2HD LYS 44 1HD LYS 44 -6.197 10.103 -11.556 335 1HE LYS 44 2HE LYS 44 -7.395 9.993 -9.466 336 2HE LYS 44 1HE LYS 44 -6.821 11.594 -9.006 337 1HZ LYS 44 1HZ LYS 44 -8.055 12.518 -10.865 338 2HZ LYS 44 2HZ LYS 44 -9.084 11.670 -9.840 339 3HZ LYS 44 3HZ LYS 44 -8.593 10.981 -11.291 340 H SER 45 H SER 45 -1.578 12.552 -9.023 341 HA SER 45 HA SER 45 -0.571 11.799 -11.519 342 1HB SER 45 2HB SER 45 0.538 13.784 -9.535 343 2HB SER 45 1HB SER 45 0.861 13.738 -11.271 344 HG SER 45 HG SER 45 -1.623 13.785 -11.288 345 H PHE 46 H PHE 46 0.448 10.967 -8.336 346 HA PHE 46 HA PHE 46 3.083 10.167 -9.280 347 1HB PHE 46 2HB PHE 46 1.937 10.276 -6.492 348 2HB PHE 46 1HB PHE 46 3.567 9.750 -6.879 349 HD1 PHE 46 1HD PHE 46 1.331 12.597 -6.507 350 HD2 PHE 46 2HD PHE 46 5.227 11.359 -7.690 351 HE1 PHE 46 1HE PHE 46 2.107 14.931 -6.387 352 HE2 PHE 46 2HE PHE 46 6.008 13.687 -7.570 353 HZ PHE 46 HZ PHE 46 4.447 15.476 -6.917 354 H TYR 47 H TYR 47 0.081 8.810 -8.016 355 HA TYR 47 HA TYR 47 1.301 6.172 -8.145 356 1HB TYR 47 2HB TYR 47 -1.255 7.076 -6.833 357 2HB TYR 47 1HB TYR 47 -0.630 5.427 -6.789 358 HD1 TYR 47 1HD TYR 47 1.084 4.825 -5.232 359 HD2 TYR 47 2HD TYR 47 0.049 8.908 -5.763 360 HE1 TYR 47 1HE TYR 47 2.469 5.434 -3.288 361 HE2 TYR 47 2HE TYR 47 1.415 9.524 -3.837 362 HH TYR 47 HH TYR 47 3.624 7.387 -2.397 363 H GLY 48 H GLY 48 -1.932 7.539 -9.077 364 1HA GLY 48 2HA GLY 48 -2.547 5.100 -10.469 365 2HA GLY 48 1HA GLY 48 -3.551 6.507 -10.315 366 H SER 49 H SER 49 -1.467 8.309 -11.500 367 HA SER 49 HA SER 49 -2.362 7.763 -14.198 368 1HB SER 49 2HB SER 49 -0.975 10.167 -13.015 369 2HB SER 49 1HB SER 49 -1.664 10.067 -14.640 370 HG SER 49 HG SER 49 -3.638 9.373 -13.349 371 H GLY 50 H GLY 50 -0.111 6.274 -12.896 372 1HA GLY 50 2HA GLY 50 1.800 5.269 -13.737 373 2HA GLY 50 1HA GLY 50 1.644 6.283 -15.169 374 H GLY 51 H GLY 51 2.081 6.951 -11.735 375 1HA GLY 51 2HA GLY 51 4.009 8.980 -12.427 376 2HA GLY 51 1HA GLY 51 3.311 8.701 -10.851 377 H ASP 52 H ASP 52 5.601 8.931 -10.142 378 HA ASP 52 HA ASP 52 7.496 6.857 -10.708 379 1HB ASP 52 2HB ASP 52 8.174 9.115 -10.037 380 2HB ASP 52 1HB ASP 52 7.419 8.890 -8.468 381 H TYR 53 H TYR 53 4.802 7.049 -8.735 382 HA TYR 53 HA TYR 53 5.682 4.792 -7.076 383 1HB TYR 53 2HB TYR 53 3.680 6.979 -6.502 384 2HB TYR 53 1HB TYR 53 3.915 5.566 -5.489 385 HD1 TYR 53 1HD TYR 53 5.759 5.426 -3.984 386 HD2 TYR 53 2HD TYR 53 5.454 8.708 -6.668 387 HE1 TYR 53 1HE TYR 53 7.498 6.605 -2.727 388 HE2 TYR 53 2HE TYR 53 7.201 9.902 -5.414 389 HH TYR 53 HH TYR 53 9.145 8.385 -3.047 390 H SER 54 H SER 54 4.507 4.811 -9.789 391 HA SER 54 HA SER 54 1.743 4.291 -9.718 392 1HB SER 54 2HB SER 54 3.005 4.959 -11.763 393 2HB SER 54 1HB SER 54 3.739 3.355 -11.767 394 HG SER 54 HG SER 54 0.983 3.398 -11.630 395 H MET 55 H MET 55 4.518 2.189 -9.229 396 HA MET 55 HA MET 55 3.121 -0.271 -9.655 397 1HB MET 55 2HB MET 55 5.646 0.195 -8.073 398 2HB MET 55 1HB MET 55 5.040 -1.353 -8.629 399 1HG MET 55 2HG MET 55 6.052 0.907 -10.299 400 2HG MET 55 1HG MET 55 6.837 -0.614 -9.993 401 1HE MET 55 1HE MET 55 7.237 -1.015 -12.548 402 2HE MET 55 2HE MET 55 6.425 0.501 -12.948 403 3HE MET 55 3HE MET 55 5.969 -0.990 -13.771 404 H PHE 56 H PHE 56 3.206 1.935 -7.126 405 HA PHE 56 HA PHE 56 2.718 0.073 -4.978 406 1HB PHE 56 2HB PHE 56 2.654 3.097 -5.066 407 2HB PHE 56 1HB PHE 56 2.515 2.125 -3.609 408 HD1 PHE 56 1HD PHE 56 4.429 1.419 -2.477 409 HD2 PHE 56 2HD PHE 56 4.812 2.952 -6.413 410 HE1 PHE 56 1HE PHE 56 6.849 1.423 -2.228 411 HE2 PHE 56 2HE PHE 56 7.252 2.967 -6.182 412 HZ PHE 56 HZ PHE 56 8.288 2.199 -4.082 413 H ALA 57 H ALA 57 0.901 1.783 -7.297 414 HA ALA 57 HA ALA 57 -1.429 2.329 -5.827 415 1HB ALA 57 1HB ALA 57 -2.512 2.712 -7.968 416 2HB ALA 57 2HB ALA 57 -1.189 1.899 -8.801 417 3HB ALA 57 3HB ALA 57 -0.899 3.421 -7.962 418 H GLY 58 H GLY 58 -2.730 1.006 -4.903 419 1HA GLY 58 2HA GLY 58 -4.051 -0.637 -4.399 420 2HA GLY 58 1HA GLY 58 -4.344 -1.020 -6.043 421 H LYS 59 H LYS 59 -1.174 -1.297 -4.193 422 HA LYS 59 HA LYS 59 -1.727 -4.047 -3.953 423 1HB LYS 59 2HB LYS 59 -0.441 -3.634 -6.098 424 2HB LYS 59 1HB LYS 59 0.705 -2.769 -5.123 425 1HG LYS 59 2HG LYS 59 1.345 -4.642 -3.954 426 2HG LYS 59 1HG LYS 59 0.009 -5.586 -4.619 427 1HD LYS 59 2HD LYS 59 2.160 -4.340 -6.252 428 2HD LYS 59 1HD LYS 59 2.155 -5.951 -5.514 429 1HE LYS 59 2HE LYS 59 0.134 -6.531 -6.808 430 2HE LYS 59 1HE LYS 59 0.117 -4.918 -7.512 431 1HZ LYS 59 1HZ LYS 59 2.229 -6.959 -7.918 432 2HZ LYS 59 2HZ LYS 59 2.233 -5.405 -8.563 433 3HZ LYS 59 3HZ LYS 59 1.059 -6.501 -9.045 434 H ASP 60 H ASP 60 -0.524 -4.861 -2.135 435 HA ASP 60 HA ASP 60 0.355 -2.835 -0.283 436 1HB ASP 60 2HB ASP 60 -0.684 -5.010 0.502 437 2HB ASP 60 1HB ASP 60 0.750 -5.840 -0.096 438 H ALA 61 H ALA 61 2.273 -2.063 -0.172 439 HA ALA 61 HA ALA 61 4.271 -3.217 -2.001 440 1HB ALA 61 1HB ALA 61 5.006 -0.947 -2.421 441 2HB ALA 61 2HB ALA 61 3.794 -0.347 -1.292 442 3HB ALA 61 3HB ALA 61 3.291 -1.141 -2.783 443 H SER 62 H SER 62 3.905 -3.666 0.957 444 HA SER 62 HA SER 62 5.703 -2.185 2.467 445 1HB SER 62 2HB SER 62 5.037 -5.117 2.788 446 2HB SER 62 1HB SER 62 5.726 -4.067 4.032 447 HG SER 62 HG SER 62 3.211 -3.961 2.793 448 H ARG 63 H ARG 63 6.322 -5.088 0.516 449 HA ARG 63 HA ARG 63 9.047 -5.314 1.243 450 1HB ARG 63 2HB ARG 63 7.864 -7.217 0.376 451 2HB ARG 63 1HB ARG 63 7.492 -6.371 -1.111 452 1HG ARG 63 2HG ARG 63 9.893 -6.363 -1.680 453 2HG ARG 63 1HG ARG 63 10.218 -7.273 -0.202 454 1HD ARG 63 2HD ARG 63 8.949 -9.134 -0.976 455 2HD ARG 63 1HD ARG 63 8.315 -8.204 -2.333 456 HE ARG 63 HE ARG 63 11.054 -8.190 -2.622 457 1HH1 ARG 63 1HH1 ARG 63 8.551 -10.716 -2.527 458 2HH1 ARG 63 2HH1 ARG 63 9.370 -11.710 -3.626 459 1HH2 ARG 63 1HH2 ARG 63 12.100 -9.515 -4.107 460 2HH2 ARG 63 2HH2 ARG 63 11.430 -11.023 -4.576 461 H ALA 64 H ALA 64 7.374 -3.473 -1.191 462 HA ALA 64 HA ALA 64 9.644 -3.014 -2.887 463 1HB ALA 64 1HB ALA 64 7.407 -2.907 -3.836 464 2HB ALA 64 2HB ALA 64 8.187 -1.333 -3.988 465 3HB ALA 64 3HB ALA 64 6.981 -1.603 -2.731 466 H LEU 65 H LEU 65 8.015 -1.474 -0.311 467 HA LEU 65 HA LEU 65 9.337 0.984 -0.250 468 1HB LEU 65 2HB LEU 65 8.148 -0.748 1.853 469 2HB LEU 65 1HB LEU 65 8.685 0.882 2.168 470 HG LEU 65 HG LEU 65 6.428 0.032 0.341 471 1HD1 LEU 65 1HD1 LEU 65 6.435 1.502 2.973 472 2HD1 LEU 65 2HD1 LEU 65 5.860 -0.147 2.690 473 3HD1 LEU 65 3HD1 LEU 65 5.059 1.222 1.920 474 1HD2 LEU 65 1HD2 LEU 65 7.386 2.734 1.104 475 2HD2 LEU 65 2HD2 LEU 65 5.964 2.395 0.129 476 3HD2 LEU 65 3HD2 LEU 65 7.596 2.018 -0.489 477 H GLY 66 H GLY 66 10.039 -2.091 1.378 478 1HA GLY 66 2HA GLY 66 12.370 -1.119 2.684 479 2HA GLY 66 1HA GLY 66 11.941 -2.810 2.495 480 H LYS 67 H LYS 67 11.832 -2.798 -0.351 481 HA LYS 67 HA LYS 67 14.618 -3.155 -0.886 482 1HB LYS 67 2HB LYS 67 12.261 -3.370 -2.756 483 2HB LYS 67 1HB LYS 67 13.872 -3.984 -3.069 484 1HG LYS 67 2HG LYS 67 11.994 -4.912 -0.913 485 2HG LYS 67 1HG LYS 67 12.298 -5.784 -2.400 486 1HD LYS 67 2HD LYS 67 14.296 -5.164 -0.206 487 2HD LYS 67 1HD LYS 67 13.541 -6.728 -0.502 488 1HE LYS 67 2HE LYS 67 15.298 -5.281 -2.462 489 2HE LYS 67 1HE LYS 67 15.858 -6.491 -1.314 490 1HZ LYS 67 1HZ LYS 67 13.780 -7.040 -3.399 491 2HZ LYS 67 2HZ LYS 67 14.571 -8.140 -2.393 492 3HZ LYS 67 3HZ LYS 67 15.436 -7.315 -3.571 493 H MET 68 H MET 68 12.251 -0.727 -1.563 494 HA MET 68 HA MET 68 12.358 1.404 -2.323 495 1HB MET 68 2HB MET 68 15.335 0.938 -2.702 496 2HB MET 68 1HB MET 68 14.512 2.479 -2.874 497 1HG MET 68 2HG MET 68 13.885 2.317 -0.457 498 2HG MET 68 1HG MET 68 14.868 0.872 -0.372 499 1HE MET 68 1HE MET 68 14.958 4.730 -1.196 500 2HE MET 68 2HE MET 68 15.758 4.029 -2.609 501 3HE MET 68 3HE MET 68 16.678 4.985 -1.458 502 H SER 69 H SER 69 11.979 -0.951 -3.750 503 HA SER 69 HA SER 69 12.898 -0.360 -6.509 504 1HB SER 69 2HB SER 69 12.083 -2.938 -5.192 505 2HB SER 69 1HB SER 69 12.702 -2.726 -6.820 506 HG SER 69 HG SER 69 14.385 -1.646 -5.014 507 H LYS 70 H LYS 70 11.678 -0.482 -8.061 508 HA LYS 70 HA LYS 70 8.827 -0.106 -7.596 509 1HB LYS 70 2HB LYS 70 10.689 0.600 -9.836 510 2HB LYS 70 1HB LYS 70 8.975 0.998 -9.764 511 1HG LYS 70 2HG LYS 70 9.256 2.499 -8.031 512 2HG LYS 70 1HG LYS 70 10.830 1.836 -7.592 513 1HD LYS 70 2HD LYS 70 11.815 2.691 -9.541 514 2HD LYS 70 1HD LYS 70 10.251 3.144 -10.192 515 1HE LYS 70 2HE LYS 70 11.423 5.129 -9.346 516 2HE LYS 70 1HE LYS 70 10.032 4.791 -8.320 517 1HZ LYS 70 1HZ LYS 70 11.955 5.304 -7.001 518 2HZ LYS 70 2HZ LYS 70 12.854 4.111 -7.765 519 3HZ LYS 70 3HZ LYS 70 11.565 3.672 -6.766 520 H ASN 71 H ASN 71 11.240 -2.145 -8.985 521 HA ASN 71 HA ASN 71 9.802 -3.376 -10.981 522 1HB ASN 71 2HB ASN 71 11.276 -5.426 -10.514 523 2HB ASN 71 1HB ASN 71 12.131 -3.924 -10.892 524 1HD2 ASN 71 1HD2 ASN 71 11.328 -6.249 -8.547 525 2HD2 ASN 71 2HD2 ASN 71 12.472 -5.805 -7.345 526 H GLU 72 H GLU 72 8.300 -4.834 -11.127 527 HA GLU 72 HA GLU 72 6.371 -4.874 -9.136 528 1HB GLU 72 2HB GLU 72 6.575 -6.660 -11.547 529 2HB GLU 72 1HB GLU 72 5.126 -6.385 -10.587 530 1HG GLU 72 2HG GLU 72 5.186 -4.015 -11.204 531 2HG GLU 72 1HG GLU 72 6.614 -4.317 -12.187 532 H GLU 73 H GLU 73 8.936 -7.122 -9.657 533 HA GLU 73 HA GLU 73 7.741 -9.309 -8.305 534 1HB GLU 73 2HB GLU 73 10.005 -10.259 -8.079 535 2HB GLU 73 1HB GLU 73 9.720 -9.672 -9.708 536 1HG GLU 73 2HG GLU 73 11.052 -7.764 -9.309 537 2HG GLU 73 1HG GLU 73 11.209 -8.151 -7.592 538 H ASP 74 H ASP 74 9.431 -6.462 -7.170 539 HA ASP 74 HA ASP 74 9.501 -7.555 -4.494 540 1HB ASP 74 2HB ASP 74 10.754 -5.068 -5.630 541 2HB ASP 74 1HB ASP 74 10.620 -5.318 -3.896 542 H VAL 75 H VAL 75 7.251 -5.965 -6.259 543 HA VAL 75 HA VAL 75 6.303 -4.427 -3.958 544 HB VAL 75 HB VAL 75 4.687 -4.934 -6.465 545 1HG1 VAL 75 1HG1 VAL 75 4.749 -2.645 -4.527 546 2HG1 VAL 75 2HG1 VAL 75 3.497 -3.886 -4.641 547 3HG1 VAL 75 3HG1 VAL 75 3.749 -2.730 -5.967 548 1HG2 VAL 75 1HG2 VAL 75 6.841 -4.103 -7.237 549 2HG2 VAL 75 2HG2 VAL 75 6.685 -2.713 -6.138 550 3HG2 VAL 75 3HG2 VAL 75 5.527 -2.944 -7.461 551 H SER 76 H SER 76 5.644 -5.681 -2.361 552 HA SER 76 HA SER 76 3.511 -7.557 -2.759 553 1HB SER 76 2HB SER 76 5.511 -8.851 -3.455 554 2HB SER 76 1HB SER 76 6.251 -8.503 -1.907 555 HG SER 76 HG SER 76 4.164 -10.228 -2.524 556 HA PRO 77 HA PRO 77 3.064 -6.531 1.630 557 1HB PRO 77 2HB PRO 77 1.550 -8.669 2.399 558 2HB PRO 77 1HB PRO 77 0.882 -7.293 1.518 559 1HG PRO 77 2HG PRO 77 1.728 -9.971 0.492 560 2HG PRO 77 1HG PRO 77 0.292 -9.017 0.076 561 1HD PRO 77 2HD PRO 77 2.474 -9.113 -1.506 562 2HD PRO 77 1HD PRO 77 1.468 -7.656 -1.372 563 H SER 78 H SER 78 4.352 -9.461 0.378 564 HA SER 78 HA SER 78 5.199 -10.678 2.893 565 1HB SER 78 2HB SER 78 4.608 -11.955 0.736 566 2HB SER 78 1HB SER 78 6.076 -11.194 0.100 567 HG SER 78 HG SER 78 6.912 -12.993 0.800 568 H LEU 79 H LEU 79 6.948 -10.560 3.898 569 HA LEU 79 HA LEU 79 8.889 -8.732 2.794 570 1HB LEU 79 2HB LEU 79 8.286 -9.219 5.716 571 2HB LEU 79 1HB LEU 79 9.482 -8.142 5.038 572 HG LEU 79 HG LEU 79 6.499 -7.846 4.906 573 1HD1 LEU 79 1HD1 LEU 79 6.894 -5.739 6.079 574 2HD1 LEU 79 2HD1 LEU 79 8.601 -6.092 6.162 575 3HD1 LEU 79 3HD1 LEU 79 7.447 -7.125 7.015 576 1HD2 LEU 79 1HD2 LEU 79 6.906 -5.781 3.637 577 2HD2 LEU 79 2HD2 LEU 79 7.386 -7.237 2.774 578 3HD2 LEU 79 3HD2 LEU 79 8.618 -6.211 3.517 579 H GLU 80 H GLU 80 9.782 -10.354 1.753 580 HA GLU 80 HA GLU 80 11.177 -12.290 3.403 581 1HB GLU 80 2HB GLU 80 10.845 -13.900 1.590 582 2HB GLU 80 1HB GLU 80 9.351 -13.318 2.246 583 1HG GLU 80 2HG GLU 80 9.024 -11.810 0.409 584 2HG GLU 80 1HG GLU 80 10.556 -12.293 -0.307 585 H GLY 81 H GLY 81 13.283 -12.443 3.047 586 1HA GLY 81 2HA GLY 81 15.334 -12.153 1.958 587 2HA GLY 81 1HA GLY 81 14.505 -11.238 0.686 588 H LEU 82 H LEU 82 13.630 -10.637 3.836 589 HA LEU 82 HA LEU 82 15.113 -8.105 3.952 590 1HB LEU 82 2HB LEU 82 12.243 -8.641 4.583 591 2HB LEU 82 1HB LEU 82 13.107 -7.191 5.015 592 HG LEU 82 HG LEU 82 12.496 -8.101 2.187 593 1HD1 LEU 82 1HD1 LEU 82 10.541 -7.370 3.427 594 2HD1 LEU 82 2HD1 LEU 82 11.013 -6.147 2.220 595 3HD1 LEU 82 3HD1 LEU 82 11.435 -5.931 3.936 596 1HD2 LEU 82 1HD2 LEU 82 13.319 -5.962 1.508 597 2HD2 LEU 82 2HD2 LEU 82 14.603 -6.737 2.463 598 3HD2 LEU 82 3HD2 LEU 82 13.549 -5.499 3.178 599 H THR 83 H THR 83 16.332 -8.035 5.289 600 HA THR 83 HA THR 83 16.317 -9.475 7.786 601 HB THR 83 HB THR 83 18.048 -7.179 7.065 602 HG1 THR 83 1HG THR 83 19.134 -8.535 5.500 603 1HG2 THR 83 1HG2 THR 83 18.394 -8.661 8.953 604 2HG2 THR 83 2HG2 THR 83 19.720 -8.758 7.742 605 3HG2 THR 83 3HG2 THR 83 18.433 -10.002 7.793 606 H GLU 84 H GLU 84 16.697 -8.090 9.710 607 HA GLU 84 HA GLU 84 14.316 -6.697 10.032 608 1HB GLU 84 2HB GLU 84 14.936 -6.271 12.259 609 2HB GLU 84 1HB GLU 84 15.434 -7.885 11.863 610 1HG GLU 84 2HG GLU 84 17.243 -5.514 11.947 611 2HG GLU 84 1HG GLU 84 17.105 -6.696 13.252 612 H LYS 85 H LYS 85 17.599 -5.432 9.510 613 HA LYS 85 HA LYS 85 16.771 -2.704 9.798 614 1HB LYS 85 2HB LYS 85 18.814 -1.948 8.734 615 2HB LYS 85 1HB LYS 85 19.218 -3.278 9.789 616 1HG LYS 85 2HG LYS 85 18.800 -3.606 6.843 617 2HG LYS 85 1HG LYS 85 20.363 -3.155 7.510 618 1HD LYS 85 2HD LYS 85 18.854 -5.676 8.225 619 2HD LYS 85 1HD LYS 85 20.032 -5.594 6.935 620 1HE LYS 85 2HE LYS 85 21.166 -6.499 8.860 621 2HE LYS 85 1HE LYS 85 21.762 -4.873 8.601 622 1HZ LYS 85 1HZ LYS 85 21.376 -5.398 10.923 623 2HZ LYS 85 2HZ LYS 85 19.755 -5.665 10.661 624 3HZ LYS 85 3HZ LYS 85 20.416 -4.108 10.486 625 H GLU 86 H GLU 86 16.485 -4.962 7.219 626 HA GLU 86 HA GLU 86 16.117 -3.187 5.071 627 1HB GLU 86 2HB GLU 86 15.512 -6.014 5.701 628 2HB GLU 86 1HB GLU 86 15.114 -5.376 4.145 629 1HG GLU 86 2HG GLU 86 17.853 -5.605 5.405 630 2HG GLU 86 1HG GLU 86 17.220 -6.609 4.107 631 H ILE 87 H ILE 87 14.105 -4.966 7.308 632 HA ILE 87 HA ILE 87 11.616 -4.141 6.272 633 HB ILE 87 HB ILE 87 12.374 -5.018 9.046 634 1HG1 ILE 87 2HG1 ILE 87 11.210 -6.616 6.762 635 2HG1 ILE 87 1HG1 ILE 87 12.886 -6.660 7.285 636 1HG2 ILE 87 1HG2 ILE 87 9.975 -5.546 9.253 637 2HG2 ILE 87 2HG2 ILE 87 9.760 -4.876 7.615 638 3HG2 ILE 87 3HG2 ILE 87 10.282 -3.817 8.940 639 1HD1 ILE 87 1HD1 ILE 87 10.514 -7.407 8.948 640 2HD1 ILE 87 2HD1 ILE 87 12.209 -7.481 9.451 641 3HD1 ILE 87 3HD1 ILE 87 11.618 -8.555 8.167 642 H ASN 88 H ASN 88 13.701 -2.977 8.887 643 HA ASN 88 HA ASN 88 12.195 -0.862 9.862 644 1HB ASN 88 2HB ASN 88 15.112 -1.357 9.705 645 2HB ASN 88 1HB ASN 88 14.534 0.262 10.092 646 1HD2 ASN 88 1HD2 ASN 88 14.633 -3.086 11.143 647 2HD2 ASN 88 2HD2 ASN 88 14.211 -2.785 12.783 648 H THR 89 H THR 89 14.075 -1.062 6.991 649 HA THR 89 HA THR 89 14.190 1.621 6.304 650 HB THR 89 HB THR 89 13.971 -0.818 4.523 651 HG1 THR 89 1HG THR 89 15.792 -0.629 6.137 652 1HG2 THR 89 1HG2 THR 89 15.019 1.938 4.005 653 2HG2 THR 89 2HG2 THR 89 13.532 1.239 3.330 654 3HG2 THR 89 3HG2 THR 89 15.115 0.590 2.857 655 H LEU 90 H LEU 90 11.670 -0.856 5.733 656 HA LEU 90 HA LEU 90 10.079 0.861 4.064 657 1HB LEU 90 2HB LEU 90 8.900 -0.961 3.595 658 2HB LEU 90 1HB LEU 90 10.134 -1.874 4.407 659 HG LEU 90 HG LEU 90 8.498 -1.168 6.448 660 1HD1 LEU 90 1HD1 LEU 90 6.183 -1.578 5.842 661 2HD1 LEU 90 2HD1 LEU 90 6.657 -1.545 4.145 662 3HD1 LEU 90 3HD1 LEU 90 6.864 -0.105 5.144 663 1HD2 LEU 90 1HD2 LEU 90 9.328 -3.387 6.095 664 2HD2 LEU 90 2HD2 LEU 90 8.172 -3.600 4.747 665 3HD2 LEU 90 3HD2 LEU 90 7.588 -3.372 6.409 666 H ASN 91 H ASN 91 10.318 -0.134 7.343 667 HA ASN 91 HA ASN 91 7.978 0.894 8.390 668 1HB ASN 91 2HB ASN 91 10.712 0.573 9.571 669 2HB ASN 91 1HB ASN 91 9.432 1.319 10.482 670 1HD2 ASN 91 1HD2 ASN 91 8.987 -1.475 8.269 671 2HD2 ASN 91 2HD2 ASN 91 8.572 -2.559 9.529 672 H ASP 92 H ASP 92 10.990 2.620 7.696 673 HA ASP 92 HA ASP 92 10.062 5.244 8.479 674 1HB ASP 92 2HB ASP 92 12.450 4.847 8.232 675 2HB ASP 92 1HB ASP 92 12.220 4.345 6.564 676 H TRP 93 H TRP 93 9.855 3.351 5.609 677 HA TRP 93 HA TRP 93 8.720 5.325 3.924 678 1HB TRP 93 2HB TRP 93 8.961 2.425 3.956 679 2HB TRP 93 1HB TRP 93 7.880 3.070 2.778 680 HD1 TRP 93 HD TRP 93 11.544 2.576 3.605 681 HE1 TRP 93 1HE TRP 93 13.041 3.358 1.674 682 HE3 TRP 93 3HE TRP 93 8.018 4.909 0.749 683 HZ2 TRP 93 2HZ TRP 93 12.768 4.760 -0.754 684 HZ3 TRP 93 3HZ TRP 93 8.714 5.938 -1.362 685 HH2 TRP 93 HH TRP 93 11.043 5.871 -2.102 686 H GLU 94 H GLU 94 7.264 3.158 6.229 687 HA GLU 94 HA GLU 94 4.578 3.594 5.598 688 1HB GLU 94 2HB GLU 94 5.821 3.513 8.353 689 2HB GLU 94 1HB GLU 94 4.111 3.355 8.011 690 1HG GLU 94 2HG GLU 94 4.486 1.349 6.858 691 2HG GLU 94 1HG GLU 94 6.235 1.420 7.085 692 H THR 95 H THR 95 6.677 5.315 7.709 693 HA THR 95 HA THR 95 5.182 7.395 8.653 694 HB THR 95 HB THR 95 8.091 7.436 7.942 695 HG1 THR 95 1HG THR 95 6.514 5.969 9.681 696 1HG2 THR 95 1HG2 THR 95 7.182 9.568 8.819 697 2HG2 THR 95 2HG2 THR 95 8.288 8.824 9.974 698 3HG2 THR 95 3HG2 THR 95 6.545 8.717 10.228 699 H LYS 96 H LYS 96 6.590 7.035 5.512 700 HA LYS 96 HA LYS 96 6.666 9.820 4.816 701 1HB LYS 96 2HB LYS 96 6.928 7.307 3.163 702 2HB LYS 96 1HB LYS 96 7.323 8.943 2.624 703 1HG LYS 96 2HG LYS 96 8.548 7.697 5.017 704 2HG LYS 96 1HG LYS 96 9.317 7.479 3.478 705 1HD LYS 96 2HD LYS 96 9.446 9.977 3.301 706 2HD LYS 96 1HD LYS 96 8.734 10.082 4.913 707 1HE LYS 96 2HE LYS 96 10.588 8.897 5.855 708 2HE LYS 96 1HE LYS 96 11.304 8.632 4.278 709 1HZ LYS 96 1HZ LYS 96 10.923 11.260 5.625 710 2HZ LYS 96 2HZ LYS 96 11.541 11.055 4.067 711 3HZ LYS 96 3HZ LYS 96 12.373 10.443 5.383 712 H PHE 97 H PHE 97 4.669 7.062 4.372 713 HA PHE 97 HA PHE 97 2.725 8.446 2.808 714 1HB PHE 97 2HB PHE 97 2.950 5.722 4.009 715 2HB PHE 97 1HB PHE 97 1.454 6.250 3.282 716 HD1 PHE 97 1HD PHE 97 5.081 5.765 2.580 717 HD2 PHE 97 2HD PHE 97 1.158 6.020 0.970 718 HE1 PHE 97 1HE PHE 97 5.936 5.037 0.391 719 HE2 PHE 97 2HE PHE 97 2.002 5.300 -1.216 720 HZ PHE 97 HZ PHE 97 4.397 4.804 -1.511 721 H GLU 98 H GLU 98 3.140 7.323 6.085 722 HA GLU 98 HA GLU 98 0.641 7.729 7.209 723 1HB GLU 98 2HB GLU 98 3.372 7.953 8.357 724 2HB GLU 98 1HB GLU 98 2.020 8.036 9.413 725 1HG GLU 98 2HG GLU 98 1.393 5.700 8.584 726 2HG GLU 98 1HG GLU 98 2.887 5.661 7.745 727 H ALA 99 H ALA 99 2.981 10.158 6.360 728 HA ALA 99 HA ALA 99 1.534 12.139 7.972 729 1HB ALA 99 1HB ALA 99 4.174 12.397 6.555 730 2HB ALA 99 2HB ALA 99 3.966 12.028 8.263 731 3HB ALA 99 3HB ALA 99 3.444 13.591 7.626 732 H LYS 100 H LYS 100 1.575 10.958 4.847 733 HA LYS 100 HA LYS 100 0.897 13.578 3.756 734 1HB LYS 100 2HB LYS 100 2.268 11.234 2.496 735 2HB LYS 100 1HB LYS 100 1.386 12.383 1.522 736 1HG LYS 100 2HG LYS 100 3.722 12.890 1.491 737 2HG LYS 100 1HG LYS 100 2.835 14.165 2.319 738 1HD LYS 100 2HD LYS 100 3.579 13.265 4.460 739 2HD LYS 100 1HD LYS 100 4.444 11.977 3.613 740 1HE LYS 100 2HE LYS 100 4.892 14.905 3.258 741 2HE LYS 100 1HE LYS 100 5.931 13.855 4.238 742 1HZ LYS 100 1HZ LYS 100 6.450 12.618 2.187 743 2HZ LYS 100 2HZ LYS 100 6.891 14.216 2.062 744 3HZ LYS 100 3HZ LYS 100 5.503 13.677 1.279 745 H TYR 101 H TYR 101 -0.118 10.277 4.162 746 HA TYR 101 HA TYR 101 -2.585 10.884 2.699 747 1HB TYR 101 2HB TYR 101 -1.117 8.250 2.730 748 2HB TYR 101 1HB TYR 101 -2.519 8.699 1.768 749 HD1 TYR 101 1HD TYR 101 0.981 8.432 1.860 750 HD2 TYR 101 2HD TYR 101 -2.152 10.645 0.043 751 HE1 TYR 101 1HE TYR 101 2.530 9.149 0.105 752 HE2 TYR 101 2HE TYR 101 -0.607 11.368 -1.739 753 HH TYR 101 HH TYR 101 2.398 9.894 -2.176 754 HA PRO 102 HA PRO 102 -4.337 9.342 6.459 755 1HB PRO 102 2HB PRO 102 -6.842 8.947 5.662 756 2HB PRO 102 1HB PRO 102 -6.175 10.589 5.752 757 1HG PRO 102 2HG PRO 102 -6.448 8.780 3.385 758 2HG PRO 102 1HG PRO 102 -6.938 10.472 3.523 759 1HD PRO 102 2HD PRO 102 -4.589 9.753 2.381 760 2HD PRO 102 1HD PRO 102 -4.749 11.241 3.345 761 H VAL 103 H VAL 103 -4.301 7.387 7.298 762 HA VAL 103 HA VAL 103 -4.475 5.137 5.513 763 HB VAL 103 HB VAL 103 -2.667 5.172 7.251 764 1HG1 VAL 103 1HG1 VAL 103 -3.067 4.419 9.468 765 2HG1 VAL 103 2HG1 VAL 103 -4.796 4.687 9.269 766 3HG1 VAL 103 3HG1 VAL 103 -3.656 6.061 9.190 767 1HG2 VAL 103 1HG2 VAL 103 -3.159 3.115 6.232 768 2HG2 VAL 103 2HG2 VAL 103 -4.466 2.782 7.392 769 3HG2 VAL 103 3HG2 VAL 103 -2.773 2.909 7.933 770 H VAL 104 H VAL 104 -6.340 4.839 4.885 771 HA VAL 104 HA VAL 104 -8.634 5.496 6.455 772 HB VAL 104 HB VAL 104 -9.987 4.833 4.477 773 1HG1 VAL 104 1HG1 VAL 104 -7.631 6.621 3.875 774 2HG1 VAL 104 2HG1 VAL 104 -9.123 7.116 4.670 775 3HG1 VAL 104 3HG1 VAL 104 -9.150 6.598 2.985 776 1HG2 VAL 104 1HG2 VAL 104 -8.537 3.033 3.640 777 2HG2 VAL 104 2HG2 VAL 104 -7.313 4.246 3.223 778 3HG2 VAL 104 3HG2 VAL 104 -8.867 4.244 2.397 779 H GLY 105 H GLY 105 -6.995 2.532 5.723 780 1HA GLY 105 2HA GLY 105 -8.359 1.239 7.755 781 2HA GLY 105 1HA GLY 105 -9.159 0.836 6.240 782 H ARG 106 H ARG 106 -8.650 -1.153 5.932 783 HA ARG 106 HA ARG 106 -5.820 -1.962 6.048 784 1HB ARG 106 2HB ARG 106 -6.621 -4.149 6.791 785 2HB ARG 106 1HB ARG 106 -6.732 -2.967 8.037 786 1HG ARG 106 2HG ARG 106 -9.137 -2.759 7.632 787 2HG ARG 106 1HG ARG 106 -8.969 -3.905 6.303 788 1HD ARG 106 2HD ARG 106 -9.714 -5.000 8.357 789 2HD ARG 106 1HD ARG 106 -8.151 -5.505 7.635 790 HE ARG 106 HE ARG 106 -7.453 -3.666 9.519 791 1HH1 ARG 106 1HH1 ARG 106 -9.331 -6.665 9.769 792 2HH1 ARG 106 2HH1 ARG 106 -8.748 -7.017 11.333 793 1HH2 ARG 106 1HH2 ARG 106 -6.698 -4.180 11.608 794 2HH2 ARG 106 2HH2 ARG 106 -7.232 -5.587 12.408 795 H VAL 107 H VAL 107 -5.294 -3.670 4.779 796 HA VAL 107 HA VAL 107 -7.424 -4.628 3.085 797 HB VAL 107 HB VAL 107 -5.566 -3.583 1.741 798 1HG1 VAL 107 1HG1 VAL 107 -3.469 -4.762 1.553 799 2HG1 VAL 107 2HG1 VAL 107 -4.007 -5.846 2.858 800 3HG1 VAL 107 3HG1 VAL 107 -3.747 -4.112 3.187 801 1HG2 VAL 107 1HG2 VAL 107 -6.990 -5.237 0.828 802 2HG2 VAL 107 2HG2 VAL 107 -6.052 -6.478 1.612 803 3HG2 VAL 107 3HG2 VAL 107 -5.331 -5.573 0.238 804 H VAL 108 H VAL 108 -7.760 -6.718 3.042 805 HA VAL 108 HA VAL 108 -6.288 -8.339 4.997 806 HB VAL 108 HB VAL 108 -8.482 -9.219 5.745 807 1HG1 VAL 108 1HG1 VAL 108 -8.415 -6.295 5.496 808 2HG1 VAL 108 2HG1 VAL 108 -7.550 -7.186 6.777 809 3HG1 VAL 108 3HG1 VAL 108 -9.354 -7.139 6.708 810 1HG2 VAL 108 1HG2 VAL 108 -9.546 -7.127 3.971 811 2HG2 VAL 108 2HG2 VAL 108 -10.502 -8.091 5.073 812 3HG2 VAL 108 3HG2 VAL 108 -9.741 -8.862 3.630 813 H SER 109 H SER 109 -5.760 -10.358 4.110 814 HA SER 109 HA SER 109 -7.890 -11.402 2.489 815 1HB SER 109 2HB SER 109 -6.394 -12.168 0.683 816 2HB SER 109 1HB SER 109 -6.428 -10.402 0.938 817 HG SER 109 HG SER 109 -4.539 -11.930 2.237 Start of MODEL 6 1 1H MET 1 1HT MET 1 -16.836 6.331 -9.850 2 2H MET 1 2HT MET 1 -16.377 4.978 -8.979 3 3H MET 1 3HT MET 1 -15.547 6.438 -8.774 4 HA MET 1 HA MET 1 -17.518 7.448 -7.853 5 1HB MET 1 2HB MET 1 -19.056 5.980 -9.226 6 2HB MET 1 1HB MET 1 -18.714 4.672 -8.119 7 1HG MET 1 2HG MET 1 -20.051 7.272 -7.359 8 2HG MET 1 1HG MET 1 -20.898 5.789 -7.756 9 1HE MET 1 1HE MET 1 -22.269 5.917 -5.526 10 2HE MET 1 2HE MET 1 -21.463 7.438 -5.138 11 3HE MET 1 3HE MET 1 -21.541 6.147 -3.936 12 H GLY 2 H GLY 2 -16.618 7.792 -5.928 13 1HA GLY 2 2HA GLY 2 -16.658 5.811 -3.893 14 2HA GLY 2 1HA GLY 2 -15.018 6.136 -4.458 15 H HIS 3 H HIS 3 -14.973 6.842 -2.074 16 HA HIS 3 HA HIS 3 -14.667 8.552 -0.576 17 1HB HIS 3 2HB HIS 3 -14.835 10.226 -3.100 18 2HB HIS 3 1HB HIS 3 -14.448 10.913 -1.536 19 HD1 HIS 3 1HD HIS 3 -12.245 11.651 -2.831 20 HD2 HIS 3 2HD HIS 3 -12.641 7.589 -2.117 21 HE1 HIS 3 1HE HIS 3 -9.959 10.678 -3.150 22 HE2 HIS 3 2HE HIS 3 -10.180 8.399 -2.252 23 H HIS 4 H HIS 4 -15.792 11.215 -0.580 24 HA HIS 4 HA HIS 4 -17.571 12.444 -0.205 25 1HB HIS 4 2HB HIS 4 -18.604 11.610 -2.260 26 2HB HIS 4 1HB HIS 4 -19.196 10.190 -1.421 27 HD1 HIS 4 1HD HIS 4 -21.439 10.380 -0.316 28 HD2 HIS 4 2HD HIS 4 -19.927 14.067 -1.481 29 HE1 HIS 4 1HE HIS 4 -23.292 12.016 0.058 30 HE2 HIS 4 2HE HIS 4 -22.328 14.248 -0.526 31 H HIS 5 H HIS 5 -18.721 9.151 0.591 32 HA HIS 5 HA HIS 5 -18.763 9.992 3.381 33 1HB HIS 5 2HB HIS 5 -21.058 10.458 2.580 34 2HB HIS 5 1HB HIS 5 -21.197 8.796 2.027 35 HD1 HIS 5 1HD HIS 5 -21.835 7.009 3.778 36 HD2 HIS 5 2HD HIS 5 -21.112 10.756 5.443 37 HE1 HIS 5 1HE HIS 5 -22.595 6.860 6.155 38 HE2 HIS 5 2HE HIS 5 -21.831 9.005 7.185 39 H HIS 6 H HIS 6 -17.319 8.610 4.096 40 HA HIS 6 HA HIS 6 -18.149 5.850 4.199 41 1HB HIS 6 2HB HIS 6 -15.347 6.741 3.433 42 2HB HIS 6 1HB HIS 6 -15.667 5.151 4.108 43 HD1 HIS 6 1HD HIS 6 -16.456 3.352 2.498 44 HD2 HIS 6 2HD HIS 6 -16.552 7.159 0.809 45 HE1 HIS 6 1HE HIS 6 -17.013 3.015 0.098 46 HE2 HIS 6 2HE HIS 6 -17.462 5.304 -0.732 47 H HIS 7 H HIS 7 -18.860 6.056 6.181 48 HA HIS 7 HA HIS 7 -17.486 7.571 8.165 49 1HB HIS 7 2HB HIS 7 -19.968 7.249 8.186 50 2HB HIS 7 1HB HIS 7 -19.705 5.562 8.613 51 HD1 HIS 7 1HD HIS 7 -20.083 5.202 11.065 52 HD2 HIS 7 2HD HIS 7 -18.481 8.958 10.272 53 HE1 HIS 7 1HE HIS 7 -19.834 6.322 13.286 54 HE2 HIS 7 2HE HIS 7 -18.621 8.440 12.791 55 H HIS 8 H HIS 8 -17.896 4.081 7.656 56 HA HIS 8 HA HIS 8 -15.836 3.604 9.645 57 1HB HIS 8 2HB HIS 8 -17.383 1.673 7.898 58 2HB HIS 8 1HB HIS 8 -16.118 1.176 9.006 59 HD1 HIS 8 1HD HIS 8 -19.485 0.821 8.866 60 HD2 HIS 8 2HD HIS 8 -17.042 2.561 11.743 61 HE1 HIS 8 1HE HIS 8 -20.778 0.711 10.988 62 HE2 HIS 8 2HE HIS 8 -19.065 1.323 12.711 63 H LEU 9 H LEU 9 -13.933 2.294 9.004 64 HA LEU 9 HA LEU 9 -12.898 3.398 6.559 65 1HB LEU 9 2HB LEU 9 -10.755 2.714 7.233 66 2HB LEU 9 1HB LEU 9 -11.556 3.089 8.718 67 HG LEU 9 HG LEU 9 -11.002 0.317 7.667 68 1HD1 LEU 9 1HD1 LEU 9 -9.851 1.816 10.003 69 2HD1 LEU 9 2HD1 LEU 9 -9.033 1.429 8.492 70 3HD1 LEU 9 3HD1 LEU 9 -9.517 0.135 9.586 71 1HD2 LEU 9 1HD2 LEU 9 -12.304 1.139 10.252 72 2HD2 LEU 9 2HD2 LEU 9 -11.873 -0.518 9.751 73 3HD2 LEU 9 3HD2 LEU 9 -13.085 0.410 8.844 74 H GLU 10 H GLU 10 -11.862 2.018 4.943 75 HA GLU 10 HA GLU 10 -13.783 -0.033 4.168 76 1HB GLU 10 2HB GLU 10 -11.565 1.327 2.701 77 2HB GLU 10 1HB GLU 10 -12.641 0.133 1.995 78 1HG GLU 10 2HG GLU 10 -13.535 2.665 3.253 79 2HG GLU 10 1HG GLU 10 -13.185 2.502 1.516 80 H GLU 11 H GLU 11 -13.345 -2.152 4.560 81 HA GLU 11 HA GLU 11 -10.650 -3.045 4.724 82 1HB GLU 11 2HB GLU 11 -11.997 -4.217 6.197 83 2HB GLU 11 1HB GLU 11 -13.321 -4.422 5.023 84 1HG GLU 11 2HG GLU 11 -11.990 -5.918 3.806 85 2HG GLU 11 1HG GLU 11 -10.591 -5.743 4.824 86 H PHE 12 H PHE 12 -9.627 -3.628 3.078 87 HA PHE 12 HA PHE 12 -11.019 -4.587 0.714 88 1HB PHE 12 2HB PHE 12 -8.481 -3.035 1.014 89 2HB PHE 12 1HB PHE 12 -8.939 -4.058 -0.335 90 HD1 PHE 12 1HD PHE 12 -9.587 -0.883 1.438 91 HD2 PHE 12 2HD PHE 12 -10.739 -3.335 -1.854 92 HE1 PHE 12 1HE PHE 12 -10.819 0.994 0.468 93 HE2 PHE 12 2HE PHE 12 -11.973 -1.451 -2.820 94 HZ PHE 12 HZ PHE 12 -12.011 0.721 -1.661 95 H THR 13 H THR 13 -10.076 -6.354 -0.231 96 HA THR 13 HA THR 13 -8.075 -7.670 1.419 97 HB THR 13 HB THR 13 -9.629 -8.853 -0.902 98 HG1 THR 13 1HG THR 13 -10.317 -9.360 1.767 99 1HG2 THR 13 1HG2 THR 13 -7.655 -10.048 -0.171 100 2HG2 THR 13 2HG2 THR 13 -9.103 -10.972 0.294 101 3HG2 THR 13 3HG2 THR 13 -8.214 -10.012 1.488 102 H ALA 14 H ALA 14 -6.317 -8.698 0.060 103 HA ALA 14 HA ALA 14 -4.975 -6.562 -1.184 104 1HB ALA 14 1HB ALA 14 -4.196 -9.450 -1.532 105 2HB ALA 14 2HB ALA 14 -3.801 -8.443 -0.136 106 3HB ALA 14 3HB ALA 14 -3.176 -8.024 -1.731 107 H GLU 15 H GLU 15 -6.456 -9.325 -2.848 108 HA GLU 15 HA GLU 15 -5.716 -8.452 -5.466 109 1HB GLU 15 2HB GLU 15 -8.029 -10.182 -4.645 110 2HB GLU 15 1HB GLU 15 -7.326 -10.081 -6.247 111 1HG GLU 15 2HG GLU 15 -5.276 -11.039 -5.480 112 2HG GLU 15 1HG GLU 15 -5.849 -11.024 -3.814 113 H GLN 16 H GLN 16 -8.317 -7.829 -3.373 114 HA GLN 16 HA GLN 16 -10.015 -6.603 -5.262 115 1HB GLN 16 2HB GLN 16 -10.078 -6.877 -2.304 116 2HB GLN 16 1HB GLN 16 -11.274 -5.895 -3.154 117 1HG GLN 16 2HG GLN 16 -12.138 -7.706 -4.314 118 2HG GLN 16 1HG GLN 16 -10.706 -8.685 -4.039 119 1HE2 GLN 16 1HE2 GLN 16 -10.497 -9.796 -2.276 120 2HE2 GLN 16 2HE2 GLN 16 -11.668 -9.956 -1.054 121 H LEU 17 H LEU 17 -7.596 -5.530 -3.002 122 HA LEU 17 HA LEU 17 -8.032 -2.728 -3.189 123 1HB LEU 17 2HB LEU 17 -6.551 -4.103 -1.535 124 2HB LEU 17 1HB LEU 17 -5.359 -4.099 -2.807 125 HG LEU 17 HG LEU 17 -4.720 -2.391 -1.247 126 1HD1 LEU 17 1HD1 LEU 17 -4.739 -0.373 -2.417 127 2HD1 LEU 17 2HD1 LEU 17 -5.926 -1.055 -3.544 128 3HD1 LEU 17 3HD1 LEU 17 -4.310 -1.778 -3.402 129 1HD2 LEU 17 1HD2 LEU 17 -7.475 -1.286 -1.518 130 2HD2 LEU 17 2HD2 LEU 17 -6.145 -0.563 -0.613 131 3HD2 LEU 17 3HD2 LEU 17 -6.830 -2.113 -0.094 132 H SER 18 H SER 18 -6.168 -5.165 -4.952 133 HA SER 18 HA SER 18 -4.907 -3.445 -6.791 134 1HB SER 18 2HB SER 18 -5.509 -6.399 -6.994 135 2HB SER 18 1HB SER 18 -4.361 -5.500 -7.990 136 HG SER 18 HG SER 18 -3.589 -4.855 -5.725 137 H GLN 19 H GLN 19 -8.064 -3.743 -6.497 138 HA GLN 19 HA GLN 19 -8.655 -3.778 -9.351 139 1HB GLN 19 2HB GLN 19 -10.495 -3.558 -6.958 140 2HB GLN 19 1HB GLN 19 -11.009 -3.609 -8.634 141 1HG GLN 19 2HG GLN 19 -10.125 -5.873 -8.845 142 2HG GLN 19 1HG GLN 19 -9.565 -5.818 -7.176 143 1HE2 GLN 19 1HE2 GLN 19 -12.604 -4.443 -8.249 144 2HE2 GLN 19 2HE2 GLN 19 -13.620 -5.564 -7.442 145 H TYR 20 H TYR 20 -7.751 -1.673 -6.885 146 HA TYR 20 HA TYR 20 -8.798 0.665 -8.327 147 1HB TYR 20 2HB TYR 20 -8.391 0.361 -5.339 148 2HB TYR 20 1HB TYR 20 -8.820 1.856 -6.153 149 HD1 TYR 20 1HD TYR 20 -11.072 2.301 -6.783 150 HD2 TYR 20 2HD TYR 20 -10.012 -1.503 -5.209 151 HE1 TYR 20 1HE TYR 20 -13.449 1.762 -6.499 152 HE2 TYR 20 2HE TYR 20 -12.385 -2.055 -4.924 153 HH TYR 20 HH TYR 20 -14.468 -0.889 -4.646 154 H ASN 21 H ASN 21 -6.906 0.737 -9.506 155 HA ASN 21 HA ASN 21 -4.436 1.239 -7.947 156 1HB ASN 21 2HB ASN 21 -4.723 0.368 -10.803 157 2HB ASN 21 1HB ASN 21 -3.194 0.464 -9.918 158 1HD2 ASN 21 1HD2 ASN 21 -6.079 -1.212 -10.540 159 2HD2 ASN 21 2HD2 ASN 21 -5.695 -2.722 -9.766 160 H GLY 22 H GLY 22 -6.808 2.602 -9.951 161 1HA GLY 22 2HA GLY 22 -6.909 4.977 -10.300 162 2HA GLY 22 1HA GLY 22 -5.148 5.014 -10.230 163 H THR 23 H THR 23 -4.902 2.790 -12.019 164 HA THR 23 HA THR 23 -5.128 4.285 -14.480 165 HB THR 23 HB THR 23 -3.162 3.018 -13.947 166 HG1 THR 23 1HG THR 23 -4.670 2.226 -16.241 167 1HG2 THR 23 1HG2 THR 23 -4.899 0.558 -14.198 168 2HG2 THR 23 2HG2 THR 23 -4.066 1.128 -12.748 169 3HG2 THR 23 3HG2 THR 23 -3.138 0.518 -14.117 170 H ASP 24 H ASP 24 -7.055 2.479 -12.704 171 HA ASP 24 HA ASP 24 -8.376 1.208 -14.866 172 1HB ASP 24 2HB ASP 24 -9.793 0.350 -12.753 173 2HB ASP 24 1HB ASP 24 -8.338 -0.445 -13.347 174 H GLU 25 H GLU 25 -9.242 3.100 -15.754 175 HA GLU 25 HA GLU 25 -10.882 4.543 -16.256 176 1HB GLU 25 2HB GLU 25 -12.443 2.983 -14.219 177 2HB GLU 25 1HB GLU 25 -13.130 4.117 -15.376 178 1HG GLU 25 2HG GLU 25 -11.728 1.534 -15.971 179 2HG GLU 25 1HG GLU 25 -13.434 1.942 -16.162 180 H SER 26 H SER 26 -9.188 4.878 -13.915 181 HA SER 26 HA SER 26 -8.575 6.600 -12.527 182 1HB SER 26 2HB SER 26 -9.272 8.072 -14.355 183 2HB SER 26 1HB SER 26 -10.941 8.003 -13.799 184 HG SER 26 HG SER 26 -10.098 8.900 -11.798 185 H LYS 27 H LYS 27 -10.178 4.470 -11.535 186 HA LYS 27 HA LYS 27 -12.062 5.594 -9.694 187 1HB LYS 27 2HB LYS 27 -10.657 2.921 -9.722 188 2HB LYS 27 1HB LYS 27 -12.002 3.324 -8.667 189 1HG LYS 27 2HG LYS 27 -13.434 3.645 -10.653 190 2HG LYS 27 1HG LYS 27 -12.082 3.171 -11.673 191 1HD LYS 27 2HD LYS 27 -13.413 1.473 -9.573 192 2HD LYS 27 1HD LYS 27 -13.606 1.307 -11.320 193 1HE LYS 27 2HE LYS 27 -11.210 0.838 -11.510 194 2HE LYS 27 1HE LYS 27 -11.051 0.950 -9.762 195 1HZ LYS 27 1HZ LYS 27 -12.654 -0.914 -9.608 196 2HZ LYS 27 2HZ LYS 27 -11.198 -1.282 -10.315 197 3HZ LYS 27 3HZ LYS 27 -12.565 -1.106 -11.285 198 HA PRO 28 HA PRO 28 -9.561 7.070 -6.356 199 1HB PRO 28 2HB PRO 28 -10.690 4.951 -4.590 200 2HB PRO 28 1HB PRO 28 -10.584 6.693 -4.326 201 1HG PRO 28 2HG PRO 28 -12.877 5.564 -4.986 202 2HG PRO 28 1HG PRO 28 -12.427 7.146 -5.650 203 1HD PRO 28 2HD PRO 28 -12.448 4.472 -6.956 204 2HD PRO 28 1HD PRO 28 -12.776 6.067 -7.660 205 H ILE 29 H ILE 29 -7.538 6.754 -5.857 206 HA ILE 29 HA ILE 29 -6.386 4.126 -6.375 207 HB ILE 29 HB ILE 29 -4.835 6.674 -5.844 208 1HG1 ILE 29 2HG1 ILE 29 -4.440 6.680 -8.365 209 2HG1 ILE 29 1HG1 ILE 29 -5.839 5.624 -8.487 210 1HG2 ILE 29 1HG2 ILE 29 -3.571 4.629 -5.612 211 2HG2 ILE 29 2HG2 ILE 29 -3.039 5.488 -7.062 212 3HG2 ILE 29 3HG2 ILE 29 -4.106 4.090 -7.203 213 1HD1 ILE 29 1HD1 ILE 29 -6.418 7.919 -8.989 214 2HD1 ILE 29 2HD1 ILE 29 -5.803 8.434 -7.420 215 3HD1 ILE 29 3HD1 ILE 29 -7.233 7.397 -7.513 216 H TYR 30 H TYR 30 -5.504 2.906 -4.791 217 HA TYR 30 HA TYR 30 -5.073 4.134 -2.156 218 1HB TYR 30 2HB TYR 30 -6.434 1.495 -2.711 219 2HB TYR 30 1HB TYR 30 -5.973 2.111 -1.133 220 HD1 TYR 30 1HD TYR 30 -8.543 1.981 -3.614 221 HD2 TYR 30 2HD TYR 30 -7.066 4.286 -0.371 222 HE1 TYR 30 1HE TYR 30 -10.731 3.093 -3.413 223 HE2 TYR 30 2HE TYR 30 -9.238 5.396 -0.164 224 HH TYR 30 HH TYR 30 -11.111 5.869 -1.440 225 H VAL 31 H VAL 31 -3.438 3.528 -1.091 226 HA VAL 31 HA VAL 31 -1.809 1.338 -2.158 227 HB VAL 31 HB VAL 31 0.136 2.368 -1.081 228 1HG1 VAL 31 1HG1 VAL 31 -0.159 2.846 -3.418 229 2HG1 VAL 31 2HG1 VAL 31 0.586 4.187 -2.581 230 3HG1 VAL 31 3HG1 VAL 31 -1.133 4.278 -3.033 231 1HG2 VAL 31 1HG2 VAL 31 0.072 4.710 -0.299 232 2HG2 VAL 31 2HG2 VAL 31 -0.917 3.597 0.657 233 3HG2 VAL 31 3HG2 VAL 31 -1.684 4.670 -0.517 234 H ALA 32 H ALA 32 -0.669 0.173 -0.407 235 HA ALA 32 HA ALA 32 -1.882 0.618 2.171 236 1HB ALA 32 1HB ALA 32 -1.871 -2.068 0.798 237 2HB ALA 32 2HB ALA 32 -3.275 -1.045 1.071 238 3HB ALA 32 3HB ALA 32 -2.400 -1.729 2.444 239 H ILE 33 H ILE 33 -0.636 0.157 3.818 240 HA ILE 33 HA ILE 33 1.946 -1.182 3.379 241 HB ILE 33 HB ILE 33 1.648 1.358 5.036 242 1HG1 ILE 33 2HG1 ILE 33 2.983 1.028 2.347 243 2HG1 ILE 33 1HG1 ILE 33 1.496 1.920 2.642 244 1HG2 ILE 33 1HG2 ILE 33 3.345 -0.107 5.888 245 2HG2 ILE 33 2HG2 ILE 33 4.103 1.302 5.108 246 3HG2 ILE 33 3HG2 ILE 33 4.078 -0.241 4.285 247 1HD1 ILE 33 1HD1 ILE 33 3.394 3.427 2.462 248 2HD1 ILE 33 2HD1 ILE 33 4.203 2.555 3.764 249 3HD1 ILE 33 3HD1 ILE 33 2.726 3.456 4.100 250 H LYS 34 H LYS 34 1.974 -2.807 4.778 251 HA LYS 34 HA LYS 34 1.689 -4.082 6.586 252 1HB LYS 34 2HB LYS 34 1.933 -1.402 7.685 253 2HB LYS 34 1HB LYS 34 1.042 -2.487 8.738 254 1HG LYS 34 2HG LYS 34 3.748 -3.093 7.584 255 2HG LYS 34 1HG LYS 34 3.480 -2.422 9.198 256 1HD LYS 34 2HD LYS 34 2.035 -4.357 9.710 257 2HD LYS 34 1HD LYS 34 2.428 -5.048 8.151 258 1HE LYS 34 2HE LYS 34 4.757 -5.200 8.765 259 2HE LYS 34 1HE LYS 34 4.417 -4.416 10.313 260 1HZ LYS 34 1HZ LYS 34 3.268 -6.998 9.421 261 2HZ LYS 34 2HZ LYS 34 2.987 -6.265 10.894 262 3HZ LYS 34 3HZ LYS 34 4.534 -6.836 10.516 263 H GLY 35 H GLY 35 -0.602 -3.346 4.911 264 1HA GLY 35 2HA GLY 35 -2.678 -4.248 4.899 265 2HA GLY 35 1HA GLY 35 -2.606 -4.568 6.598 266 H ARG 36 H ARG 36 -1.727 -1.412 5.795 267 HA ARG 36 HA ARG 36 -4.361 -0.438 6.661 268 1HB ARG 36 2HB ARG 36 -1.644 0.878 6.730 269 2HB ARG 36 1HB ARG 36 -3.134 1.551 7.376 270 1HG ARG 36 2HG ARG 36 -3.238 -0.124 9.088 271 2HG ARG 36 1HG ARG 36 -1.914 -1.013 8.312 272 1HD ARG 36 2HD ARG 36 -1.669 1.754 9.452 273 2HD ARG 36 1HD ARG 36 -1.186 0.274 10.293 274 HE ARG 36 HE ARG 36 -0.070 0.696 7.658 275 1HH1 ARG 36 1HH1 ARG 36 0.438 0.964 11.139 276 2HH1 ARG 36 2HH1 ARG 36 2.135 0.996 11.027 277 1HH2 ARG 36 1HH2 ARG 36 2.239 0.748 7.502 278 2HH2 ARG 36 2HH2 ARG 36 3.186 0.827 8.914 279 H VAL 37 H VAL 37 -5.475 0.605 5.161 280 HA VAL 37 HA VAL 37 -4.231 1.088 2.584 281 HB VAL 37 HB VAL 37 -7.141 1.178 3.433 282 1HG1 VAL 37 1HG1 VAL 37 -5.907 1.384 0.697 283 2HG1 VAL 37 2HG1 VAL 37 -6.722 2.695 1.557 284 3HG1 VAL 37 3HG1 VAL 37 -7.636 1.278 1.024 285 1HG2 VAL 37 1HG2 VAL 37 -6.192 -1.052 3.453 286 2HG2 VAL 37 2HG2 VAL 37 -5.590 -0.821 1.813 287 3HG2 VAL 37 3HG2 VAL 37 -7.326 -0.871 2.114 288 H PHE 38 H PHE 38 -3.703 2.992 1.896 289 HA PHE 38 HA PHE 38 -4.623 5.386 3.356 290 1HB PHE 38 2HB PHE 38 -2.139 4.999 1.691 291 2HB PHE 38 1HB PHE 38 -2.568 6.456 2.572 292 HD1 PHE 38 1HD PHE 38 -1.334 3.023 2.826 293 HD2 PHE 38 2HD PHE 38 -2.208 6.597 4.944 294 HE1 PHE 38 1HE PHE 38 -0.074 2.182 4.741 295 HE2 PHE 38 2HE PHE 38 -0.946 5.755 6.876 296 HZ PHE 38 HZ PHE 38 0.130 3.545 6.776 297 H ASP 39 H ASP 39 -5.533 6.982 2.126 298 HA ASP 39 HA ASP 39 -6.153 6.300 -0.642 299 1HB ASP 39 2HB ASP 39 -7.931 7.269 0.851 300 2HB ASP 39 1HB ASP 39 -6.992 8.755 0.928 301 H VAL 40 H VAL 40 -5.011 7.030 -2.277 302 HA VAL 40 HA VAL 40 -3.210 9.271 -1.722 303 HB VAL 40 HB VAL 40 -1.668 8.332 -3.465 304 1HG1 VAL 40 1HG1 VAL 40 -1.210 8.068 -1.108 305 2HG1 VAL 40 2HG1 VAL 40 -0.711 6.645 -2.023 306 3HG1 VAL 40 3HG1 VAL 40 -2.201 6.603 -1.064 307 1HG2 VAL 40 1HG2 VAL 40 -1.866 5.963 -4.012 308 2HG2 VAL 40 2HG2 VAL 40 -3.229 6.893 -4.621 309 3HG2 VAL 40 3HG2 VAL 40 -3.419 5.899 -3.172 310 H THR 41 H THR 41 -5.951 9.364 -2.875 311 HA THR 41 HA THR 41 -5.599 10.058 -5.624 312 HB THR 41 HB THR 41 -7.793 11.250 -5.404 313 HG1 THR 41 1HG THR 41 -7.717 10.339 -2.701 314 1HG2 THR 41 1HG2 THR 41 -7.719 8.487 -4.171 315 2HG2 THR 41 2HG2 THR 41 -7.759 8.848 -5.897 316 3HG2 THR 41 3HG2 THR 41 -9.139 9.256 -4.878 317 H THR 42 H THR 42 -5.155 11.653 -2.639 318 HA THR 42 HA THR 42 -4.906 14.315 -3.490 319 HB THR 42 HB THR 42 -5.171 13.798 -1.125 320 HG1 THR 42 1HG THR 42 -3.990 15.675 -1.622 321 1HG2 THR 42 1HG2 THR 42 -3.383 12.743 0.203 322 2HG2 THR 42 2HG2 THR 42 -2.460 12.477 -1.276 323 3HG2 THR 42 3HG2 THR 42 -4.000 11.652 -1.039 324 H GLY 43 H GLY 43 -2.852 11.576 -3.874 325 1HA GLY 43 2HA GLY 43 -0.782 13.308 -5.039 326 2HA GLY 43 1HA GLY 43 -0.376 11.865 -4.104 327 H LYS 44 H LYS 44 -3.014 12.305 -6.376 328 HA LYS 44 HA LYS 44 -2.748 9.787 -7.558 329 1HB LYS 44 2HB LYS 44 -4.789 11.161 -7.626 330 2HB LYS 44 1HB LYS 44 -3.987 12.265 -8.734 331 1HG LYS 44 2HG LYS 44 -3.744 10.374 -10.342 332 2HG LYS 44 1HG LYS 44 -4.712 9.393 -9.243 333 1HD LYS 44 2HD LYS 44 -6.509 11.076 -9.385 334 2HD LYS 44 1HD LYS 44 -5.495 11.947 -10.538 335 1HE LYS 44 2HE LYS 44 -5.565 10.083 -12.087 336 2HE LYS 44 1HE LYS 44 -6.532 9.143 -10.949 337 1HZ LYS 44 1HZ LYS 44 -7.363 11.660 -12.297 338 2HZ LYS 44 2HZ LYS 44 -8.244 10.868 -11.108 339 3HZ LYS 44 3HZ LYS 44 -8.003 10.117 -12.574 340 H SER 45 H SER 45 -1.380 12.875 -8.379 341 HA SER 45 HA SER 45 -0.447 12.419 -10.941 342 1HB SER 45 2HB SER 45 0.859 14.048 -8.756 343 2HB SER 45 1HB SER 45 1.059 14.267 -10.501 344 HG SER 45 HG SER 45 -0.967 15.022 -10.670 345 H PHE 46 H PHE 46 0.722 11.131 -7.924 346 HA PHE 46 HA PHE 46 3.256 10.250 -9.073 347 1HB PHE 46 2HB PHE 46 2.080 9.781 -6.322 348 2HB PHE 46 1HB PHE 46 3.690 9.327 -6.834 349 HD1 PHE 46 1HD PHE 46 1.487 12.125 -5.949 350 HD2 PHE 46 2HD PHE 46 5.453 10.938 -6.909 351 HE1 PHE 46 1HE PHE 46 2.323 14.283 -5.122 352 HE2 PHE 46 2HE PHE 46 6.298 13.099 -6.089 353 HZ PHE 46 HZ PHE 46 4.736 14.772 -5.194 354 H TYR 47 H TYR 47 0.250 8.909 -7.707 355 HA TYR 47 HA TYR 47 1.173 6.216 -8.298 356 1HB TYR 47 2HB TYR 47 -1.295 7.110 -6.808 357 2HB TYR 47 1HB TYR 47 -0.634 5.479 -6.860 358 HD1 TYR 47 1HD TYR 47 1.427 4.937 -5.598 359 HD2 TYR 47 2HD TYR 47 -0.290 8.814 -5.465 360 HE1 TYR 47 1HE TYR 47 2.828 5.497 -3.643 361 HE2 TYR 47 2HE TYR 47 1.088 9.379 -3.533 362 HH TYR 47 HH TYR 47 3.713 7.488 -2.542 363 H GLY 48 H GLY 48 -1.951 7.996 -8.818 364 1HA GLY 48 2HA GLY 48 -2.806 5.877 -10.608 365 2HA GLY 48 1HA GLY 48 -3.758 7.228 -10.034 366 H SER 49 H SER 49 -0.691 7.905 -11.383 367 HA SER 49 HA SER 49 -2.037 8.781 -13.843 368 1HB SER 49 2HB SER 49 0.348 9.995 -12.445 369 2HB SER 49 1HB SER 49 -0.366 10.597 -13.945 370 HG SER 49 HG SER 49 -1.489 10.486 -11.360 371 H GLY 50 H GLY 50 -0.381 6.353 -12.777 372 1HA GLY 50 2HA GLY 50 0.927 4.773 -13.800 373 2HA GLY 50 1HA GLY 50 0.870 5.751 -15.264 374 H GLY 51 H GLY 51 2.056 6.524 -12.038 375 1HA GLY 51 2HA GLY 51 4.492 7.499 -13.286 376 2HA GLY 51 1HA GLY 51 3.973 7.818 -11.638 377 H ASP 52 H ASP 52 6.329 7.243 -11.379 378 HA ASP 52 HA ASP 52 7.303 4.613 -11.563 379 1HB ASP 52 2HB ASP 52 8.795 6.466 -11.153 380 2HB ASP 52 1HB ASP 52 7.971 6.852 -9.646 381 H TYR 53 H TYR 53 5.416 6.257 -9.201 382 HA TYR 53 HA TYR 53 5.554 4.036 -7.387 383 1HB TYR 53 2HB TYR 53 4.365 6.787 -7.070 384 2HB TYR 53 1HB TYR 53 4.288 5.538 -5.822 385 HD1 TYR 53 1HD TYR 53 6.359 4.665 -4.822 386 HD2 TYR 53 2HD TYR 53 6.429 8.002 -7.455 387 HE1 TYR 53 1HE TYR 53 8.630 5.191 -4.072 388 HE2 TYR 53 2HE TYR 53 8.717 8.542 -6.703 389 HH TYR 53 HH TYR 53 10.147 8.103 -4.707 390 H SER 54 H SER 54 3.989 4.116 -10.023 391 HA SER 54 HA SER 54 1.272 3.673 -9.257 392 1HB SER 54 2HB SER 54 1.943 4.337 -11.574 393 2HB SER 54 1HB SER 54 2.758 2.776 -11.730 394 HG SER 54 HG SER 54 0.466 2.046 -11.034 395 H MET 55 H MET 55 4.085 1.955 -8.877 396 HA MET 55 HA MET 55 3.180 -0.760 -9.118 397 1HB MET 55 2HB MET 55 5.437 0.279 -7.391 398 2HB MET 55 1HB MET 55 5.256 -1.339 -8.053 399 1HG MET 55 2HG MET 55 5.566 1.137 -9.569 400 2HG MET 55 1HG MET 55 6.942 0.093 -9.274 401 1HE MET 55 1HE MET 55 6.262 1.034 -12.179 402 2HE MET 55 2HE MET 55 6.322 -0.465 -13.106 403 3HE MET 55 3HE MET 55 7.521 -0.154 -11.845 404 H PHE 56 H PHE 56 3.043 1.732 -6.815 405 HA PHE 56 HA PHE 56 2.472 0.049 -4.523 406 1HB PHE 56 2HB PHE 56 2.609 3.057 -4.850 407 2HB PHE 56 1HB PHE 56 2.408 2.216 -3.321 408 HD1 PHE 56 1HD PHE 56 4.741 2.501 -6.210 409 HD2 PHE 56 2HD PHE 56 4.266 1.623 -2.093 410 HE1 PHE 56 1HE PHE 56 7.178 2.354 -5.973 411 HE2 PHE 56 2HE PHE 56 6.670 1.468 -1.836 412 HZ PHE 56 HZ PHE 56 8.164 1.831 -3.772 413 H ALA 57 H ALA 57 0.892 1.613 -7.035 414 HA ALA 57 HA ALA 57 -1.524 2.299 -5.687 415 1HB ALA 57 1HB ALA 57 -0.749 3.530 -7.651 416 2HB ALA 57 2HB ALA 57 -2.339 2.813 -7.928 417 3HB ALA 57 3HB ALA 57 -0.901 2.069 -8.624 418 H GLY 58 H GLY 58 -2.806 0.785 -4.953 419 1HA GLY 58 2HA GLY 58 -4.495 -0.799 -5.280 420 2HA GLY 58 1HA GLY 58 -3.811 -1.303 -6.735 421 H LYS 59 H LYS 59 -1.741 -0.845 -4.034 422 HA LYS 59 HA LYS 59 -1.393 -3.733 -3.802 423 1HB LYS 59 2HB LYS 59 0.545 -1.702 -4.760 424 2HB LYS 59 1HB LYS 59 1.088 -3.175 -3.994 425 1HG LYS 59 2HG LYS 59 -0.771 -3.178 -6.354 426 2HG LYS 59 1HG LYS 59 0.981 -3.112 -6.545 427 1HD LYS 59 2HD LYS 59 1.295 -5.172 -5.612 428 2HD LYS 59 1HD LYS 59 -0.275 -5.332 -4.888 429 1HE LYS 59 2HE LYS 59 -0.163 -6.722 -6.868 430 2HE LYS 59 1HE LYS 59 -1.196 -5.329 -7.221 431 1HZ LYS 59 1HZ LYS 59 0.701 -4.282 -8.380 432 2HZ LYS 59 2HZ LYS 59 0.303 -5.740 -9.056 433 3HZ LYS 59 3HZ LYS 59 1.660 -5.642 -8.090 434 H ASP 60 H ASP 60 -0.851 -4.346 -1.793 435 HA ASP 60 HA ASP 60 -0.009 -2.345 0.147 436 1HB ASP 60 2HB ASP 60 -1.405 -4.364 0.902 437 2HB ASP 60 1HB ASP 60 -0.046 -5.385 0.452 438 H ALA 61 H ALA 61 1.816 -1.603 -0.328 439 HA ALA 61 HA ALA 61 3.730 -3.254 -1.798 440 1HB ALA 61 1HB ALA 61 2.949 -1.222 -2.824 441 2HB ALA 61 2HB ALA 61 4.683 -1.136 -2.502 442 3HB ALA 61 3HB ALA 61 3.540 -0.289 -1.455 443 H SER 62 H SER 62 3.452 -3.463 1.079 444 HA SER 62 HA SER 62 5.306 -2.017 2.481 445 1HB SER 62 2HB SER 62 4.454 -4.881 2.957 446 2HB SER 62 1HB SER 62 5.200 -3.795 4.138 447 HG SER 62 HG SER 62 2.612 -3.849 3.126 448 H ARG 63 H ARG 63 5.830 -5.100 0.674 449 HA ARG 63 HA ARG 63 8.567 -5.270 1.445 450 1HB ARG 63 2HB ARG 63 7.364 -7.260 0.690 451 2HB ARG 63 1HB ARG 63 7.165 -6.548 -0.908 452 1HG ARG 63 2HG ARG 63 9.614 -6.523 -1.180 453 2HG ARG 63 1HG ARG 63 9.774 -7.306 0.388 454 1HD ARG 63 2HD ARG 63 8.353 -8.442 -2.014 455 2HD ARG 63 1HD ARG 63 9.968 -8.877 -1.452 456 HE ARG 63 HE ARG 63 7.719 -9.211 0.366 457 1HH1 ARG 63 1HH1 ARG 63 10.208 -10.671 -1.692 458 2HH1 ARG 63 2HH1 ARG 63 9.997 -12.235 -1.079 459 1HH2 ARG 63 1HH2 ARG 63 7.411 -11.401 1.170 460 2HH2 ARG 63 2HH2 ARG 63 8.421 -12.652 0.602 461 H ALA 64 H ALA 64 6.919 -3.536 -1.055 462 HA ALA 64 HA ALA 64 9.183 -3.297 -2.802 463 1HB ALA 64 1HB ALA 64 6.603 -1.728 -2.740 464 2HB ALA 64 2HB ALA 64 6.911 -3.168 -3.712 465 3HB ALA 64 3HB ALA 64 7.800 -1.679 -4.032 466 H LEU 65 H LEU 65 7.647 -1.532 -0.300 467 HA LEU 65 HA LEU 65 9.109 0.853 -0.376 468 1HB LEU 65 2HB LEU 65 7.731 -0.670 1.761 469 2HB LEU 65 1HB LEU 65 8.536 0.840 2.096 470 HG LEU 65 HG LEU 65 6.215 0.484 0.174 471 1HD1 LEU 65 1HD1 LEU 65 6.340 1.717 2.935 472 2HD1 LEU 65 2HD1 LEU 65 5.551 0.200 2.512 473 3HD1 LEU 65 3HD1 LEU 65 4.971 1.716 1.834 474 1HD2 LEU 65 1HD2 LEU 65 6.203 2.923 0.184 475 2HD2 LEU 65 2HD2 LEU 65 7.758 2.295 -0.420 476 3HD2 LEU 65 3HD2 LEU 65 7.614 2.869 1.240 477 H GLY 66 H GLY 66 9.782 -2.162 1.290 478 1HA GLY 66 2HA GLY 66 12.028 -1.034 2.615 479 2HA GLY 66 1HA GLY 66 11.632 -2.729 2.594 480 H LYS 67 H LYS 67 11.657 -2.536 -0.442 481 HA LYS 67 HA LYS 67 14.565 -2.818 -0.651 482 1HB LYS 67 2HB LYS 67 12.430 -3.712 -2.573 483 2HB LYS 67 1HB LYS 67 14.132 -4.172 -2.579 484 1HG LYS 67 2HG LYS 67 13.851 -5.201 -0.445 485 2HG LYS 67 1HG LYS 67 12.123 -4.831 -0.455 486 1HD LYS 67 2HD LYS 67 12.352 -7.127 -1.149 487 2HD LYS 67 1HD LYS 67 11.985 -6.189 -2.593 488 1HE LYS 67 2HE LYS 67 14.348 -6.130 -3.164 489 2HE LYS 67 1HE LYS 67 14.689 -7.018 -1.670 490 1HZ LYS 67 1HZ LYS 67 13.056 -8.026 -3.939 491 2HZ LYS 67 2HZ LYS 67 13.450 -8.901 -2.554 492 3HZ LYS 67 3HZ LYS 67 14.660 -8.451 -3.650 493 H MET 68 H MET 68 12.197 -0.638 -1.173 494 HA MET 68 HA MET 68 11.807 1.157 -2.379 495 1HB MET 68 2HB MET 68 14.649 0.854 -3.415 496 2HB MET 68 1HB MET 68 13.636 2.271 -3.696 497 1HG MET 68 2HG MET 68 13.534 2.585 -1.226 498 2HG MET 68 1HG MET 68 14.635 1.241 -1.059 499 1HE MET 68 1HE MET 68 15.801 5.236 -3.085 500 2HE MET 68 2HE MET 68 14.208 4.911 -2.404 501 3HE MET 68 3HE MET 68 14.738 4.061 -3.855 502 H SER 69 H SER 69 13.562 -1.159 -4.327 503 HA SER 69 HA SER 69 13.145 -2.226 -6.270 504 1HB SER 69 2HB SER 69 11.787 -3.309 -4.590 505 2HB SER 69 1HB SER 69 10.448 -2.304 -5.010 506 HG SER 69 HG SER 69 11.382 -4.512 -6.347 507 H LYS 70 H LYS 70 9.901 -1.021 -6.083 508 HA LYS 70 HA LYS 70 8.453 -0.175 -7.438 509 1HB LYS 70 2HB LYS 70 10.713 1.108 -8.950 510 2HB LYS 70 1HB LYS 70 9.013 1.518 -9.089 511 1HG LYS 70 2HG LYS 70 9.354 3.064 -7.447 512 2HG LYS 70 1HG LYS 70 9.564 1.596 -6.434 513 1HD LYS 70 2HD LYS 70 11.822 1.551 -6.630 514 2HD LYS 70 1HD LYS 70 11.772 2.660 -8.010 515 1HE LYS 70 2HE LYS 70 10.998 3.423 -5.175 516 2HE LYS 70 1HE LYS 70 12.613 3.687 -5.829 517 1HZ LYS 70 1HZ LYS 70 11.118 5.679 -5.966 518 2HZ LYS 70 2HZ LYS 70 10.183 4.853 -7.132 519 3HZ LYS 70 3HZ LYS 70 11.776 5.176 -7.412 520 H ASN 71 H ASN 71 10.087 -2.644 -8.114 521 HA ASN 71 HA ASN 71 8.723 -2.964 -10.694 522 1HB ASN 71 2HB ASN 71 9.863 -5.155 -10.953 523 2HB ASN 71 1HB ASN 71 11.019 -3.837 -10.838 524 1HD2 ASN 71 1HD2 ASN 71 12.526 -3.979 -9.324 525 2HD2 ASN 71 2HD2 ASN 71 12.596 -5.178 -8.071 526 H GLU 72 H GLU 72 7.140 -4.529 -10.981 527 HA GLU 72 HA GLU 72 5.330 -4.829 -8.869 528 1HB GLU 72 2HB GLU 72 5.567 -6.243 -11.505 529 2HB GLU 72 1HB GLU 72 4.231 -6.512 -10.399 530 1HG GLU 72 2HG GLU 72 4.950 -3.801 -11.463 531 2HG GLU 72 1HG GLU 72 3.823 -4.889 -12.274 532 H GLU 73 H GLU 73 8.032 -6.746 -9.650 533 HA GLU 73 HA GLU 73 7.263 -9.290 -8.704 534 1HB GLU 73 2HB GLU 73 9.987 -8.025 -8.730 535 2HB GLU 73 1HB GLU 73 9.651 -9.742 -8.595 536 1HG GLU 73 2HG GLU 73 8.881 -8.046 -10.920 537 2HG GLU 73 1HG GLU 73 10.391 -8.947 -10.848 538 H ASP 74 H ASP 74 8.747 -6.483 -7.124 539 HA ASP 74 HA ASP 74 8.925 -7.966 -4.610 540 1HB ASP 74 2HB ASP 74 9.906 -5.189 -5.274 541 2HB ASP 74 1HB ASP 74 10.083 -5.967 -3.710 542 H VAL 75 H VAL 75 6.640 -6.209 -6.105 543 HA VAL 75 HA VAL 75 5.728 -4.783 -3.768 544 HB VAL 75 HB VAL 75 4.167 -5.267 -6.333 545 1HG1 VAL 75 1HG1 VAL 75 4.055 -3.105 -4.262 546 2HG1 VAL 75 2HG1 VAL 75 2.832 -4.366 -4.509 547 3HG1 VAL 75 3HG1 VAL 75 3.146 -3.130 -5.756 548 1HG2 VAL 75 1HG2 VAL 75 6.319 -4.298 -6.898 549 2HG2 VAL 75 2HG2 VAL 75 6.041 -2.992 -5.738 550 3HG2 VAL 75 3HG2 VAL 75 5.001 -3.160 -7.156 551 H SER 76 H SER 76 4.648 -5.736 -2.171 552 HA SER 76 HA SER 76 2.825 -7.854 -2.372 553 1HB SER 76 2HB SER 76 4.947 -9.057 -3.081 554 2HB SER 76 1HB SER 76 5.635 -8.647 -1.520 555 HG SER 76 HG SER 76 3.437 -10.311 -2.065 556 HA PRO 77 HA PRO 77 2.470 -6.334 1.845 557 1HB PRO 77 2HB PRO 77 0.954 -8.311 2.928 558 2HB PRO 77 1HB PRO 77 0.291 -7.102 1.825 559 1HG PRO 77 2HG PRO 77 1.141 -9.914 1.271 560 2HG PRO 77 1HG PRO 77 -0.284 -9.044 0.683 561 1HD PRO 77 2HD PRO 77 1.936 -9.405 -0.827 562 2HD PRO 77 1HD PRO 77 0.898 -7.975 -0.981 563 H SER 78 H SER 78 3.718 -9.498 1.157 564 HA SER 78 HA SER 78 4.530 -10.090 3.872 565 1HB SER 78 2HB SER 78 5.259 -11.388 1.278 566 2HB SER 78 1HB SER 78 5.596 -11.954 2.927 567 HG SER 78 HG SER 78 3.513 -12.440 3.214 568 H LEU 79 H LEU 79 6.327 -9.999 4.838 569 HA LEU 79 HA LEU 79 8.358 -8.306 3.589 570 1HB LEU 79 2HB LEU 79 7.800 -8.727 6.514 571 2HB LEU 79 1HB LEU 79 8.879 -7.562 5.779 572 HG LEU 79 HG LEU 79 5.894 -7.569 5.757 573 1HD1 LEU 79 1HD1 LEU 79 7.882 -5.557 6.776 574 2HD1 LEU 79 2HD1 LEU 79 6.884 -6.637 7.748 575 3HD1 LEU 79 3HD1 LEU 79 6.131 -5.371 6.782 576 1HD2 LEU 79 1HD2 LEU 79 6.017 -5.580 4.328 577 2HD2 LEU 79 2HD2 LEU 79 6.582 -7.068 3.570 578 3HD2 LEU 79 3HD2 LEU 79 7.761 -5.863 4.116 579 H GLU 80 H GLU 80 7.822 -11.396 4.111 580 HA GLU 80 HA GLU 80 10.075 -12.234 5.549 581 1HB GLU 80 2HB GLU 80 9.528 -14.472 4.685 582 2HB GLU 80 1HB GLU 80 8.120 -13.646 5.327 583 1HG GLU 80 2HG GLU 80 7.152 -14.412 3.363 584 2HG GLU 80 1HG GLU 80 7.976 -12.910 2.863 585 H GLY 81 H GLY 81 12.081 -12.461 4.970 586 1HA GLY 81 2HA GLY 81 13.575 -13.340 3.311 587 2HA GLY 81 1HA GLY 81 12.676 -12.438 2.109 588 H LEU 82 H LEU 82 12.255 -10.247 3.964 589 HA LEU 82 HA LEU 82 14.399 -8.613 3.195 590 1HB LEU 82 2HB LEU 82 12.056 -8.231 5.005 591 2HB LEU 82 1HB LEU 82 13.149 -6.967 4.504 592 HG LEU 82 HG LEU 82 11.417 -8.571 2.605 593 1HD1 LEU 82 1HD1 LEU 82 10.102 -6.537 2.450 594 2HD1 LEU 82 2HD1 LEU 82 11.108 -5.798 3.717 595 3HD1 LEU 82 3HD1 LEU 82 10.083 -7.206 4.086 596 1HD2 LEU 82 1HD2 LEU 82 12.918 -6.044 2.291 597 2HD2 LEU 82 2HD2 LEU 82 12.027 -6.880 1.010 598 3HD2 LEU 82 3HD2 LEU 82 13.514 -7.586 1.687 599 H THR 83 H THR 83 15.988 -7.875 4.333 600 HA THR 83 HA THR 83 16.440 -8.910 7.003 601 HB THR 83 HB THR 83 18.759 -7.964 6.671 602 HG1 THR 83 1HG THR 83 17.766 -7.495 4.023 603 1HG2 THR 83 1HG2 THR 83 17.769 -9.865 4.542 604 2HG2 THR 83 2HG2 THR 83 18.245 -10.312 6.178 605 3HG2 THR 83 3HG2 THR 83 19.447 -9.684 5.052 606 H GLU 84 H GLU 84 17.845 -7.020 8.300 607 HA GLU 84 HA GLU 84 15.785 -5.285 9.030 608 1HB GLU 84 2HB GLU 84 18.670 -5.273 9.865 609 2HB GLU 84 1HB GLU 84 17.447 -4.201 10.537 610 1HG GLU 84 2HG GLU 84 16.148 -6.153 11.254 611 2HG GLU 84 1HG GLU 84 17.414 -7.202 10.626 612 H LYS 85 H LYS 85 18.604 -4.661 7.041 613 HA LYS 85 HA LYS 85 18.378 -1.836 6.893 614 1HB LYS 85 2HB LYS 85 19.677 -2.020 4.820 615 2HB LYS 85 1HB LYS 85 20.301 -3.187 5.985 616 1HG LYS 85 2HG LYS 85 18.902 -4.916 4.920 617 2HG LYS 85 1HG LYS 85 18.385 -3.706 3.789 618 1HD LYS 85 2HD LYS 85 19.994 -5.090 2.798 619 2HD LYS 85 1HD LYS 85 20.612 -3.443 2.884 620 1HE LYS 85 2HE LYS 85 21.945 -4.056 4.887 621 2HE LYS 85 1HE LYS 85 21.355 -5.709 4.770 622 1HZ LYS 85 1HZ LYS 85 22.434 -5.888 2.605 623 2HZ LYS 85 2HZ LYS 85 23.551 -5.506 3.786 624 3HZ LYS 85 3HZ LYS 85 23.020 -4.314 2.735 625 H GLU 86 H GLU 86 16.731 -4.435 5.295 626 HA GLU 86 HA GLU 86 15.520 -2.915 3.239 627 1HB GLU 86 2HB GLU 86 15.282 -5.671 4.308 628 2HB GLU 86 1HB GLU 86 14.358 -5.172 2.927 629 1HG GLU 86 2HG GLU 86 16.538 -4.629 1.784 630 2HG GLU 86 1HG GLU 86 17.358 -5.249 3.211 631 H ILE 87 H ILE 87 14.425 -4.649 6.114 632 HA ILE 87 HA ILE 87 11.822 -3.695 5.915 633 HB ILE 87 HB ILE 87 13.357 -4.702 8.266 634 1HG1 ILE 87 2HG1 ILE 87 11.273 -5.993 6.515 635 2HG1 ILE 87 1HG1 ILE 87 12.980 -6.376 6.589 636 1HG2 ILE 87 1HG2 ILE 87 11.129 -4.933 9.391 637 2HG2 ILE 87 2HG2 ILE 87 10.425 -4.152 7.955 638 3HG2 ILE 87 3HG2 ILE 87 11.521 -3.236 9.003 639 1HD1 ILE 87 1HD1 ILE 87 11.024 -6.707 8.834 640 2HD1 ILE 87 2HD1 ILE 87 12.724 -7.160 8.887 641 3HD1 ILE 87 3HD1 ILE 87 11.607 -8.025 7.809 642 H ASN 88 H ASN 88 14.670 -2.372 7.578 643 HA ASN 88 HA ASN 88 13.324 -0.293 8.932 644 1HB ASN 88 2HB ASN 88 16.145 -0.578 8.058 645 2HB ASN 88 1HB ASN 88 15.573 1.014 8.544 646 1HD2 ASN 88 1HD2 ASN 88 16.357 -2.180 9.545 647 2HD2 ASN 88 2HD2 ASN 88 16.297 -1.942 11.253 648 H THR 89 H THR 89 14.471 -0.446 5.674 649 HA THR 89 HA THR 89 14.111 2.233 5.026 650 HB THR 89 HB THR 89 13.874 -0.263 3.333 651 HG1 THR 89 1HG THR 89 15.970 -0.057 4.087 652 1HG2 THR 89 1HG2 THR 89 14.277 1.231 1.425 653 2HG2 THR 89 2HG2 THR 89 14.117 2.617 2.548 654 3HG2 THR 89 3HG2 THR 89 12.747 1.515 2.268 655 H LEU 90 H LEU 90 11.874 -0.502 4.767 656 HA LEU 90 HA LEU 90 9.627 1.012 3.885 657 1HB LEU 90 2HB LEU 90 9.185 -1.014 3.336 658 2HB LEU 90 1HB LEU 90 10.251 -1.756 4.461 659 HG LEU 90 HG LEU 90 8.275 -1.091 6.121 660 1HD1 LEU 90 1HD1 LEU 90 6.091 -1.360 5.154 661 2HD1 LEU 90 2HD1 LEU 90 6.828 -1.289 3.552 662 3HD1 LEU 90 3HD1 LEU 90 6.941 0.099 4.637 663 1HD2 LEU 90 1HD2 LEU 90 8.207 -3.460 4.300 664 2HD2 LEU 90 2HD2 LEU 90 7.318 -3.314 5.823 665 3HD2 LEU 90 3HD2 LEU 90 9.096 -3.331 5.821 666 H ASN 91 H ASN 91 10.753 -0.181 6.950 667 HA ASN 91 HA ASN 91 8.628 0.323 8.658 668 1HB ASN 91 2HB ASN 91 10.997 -0.775 8.974 669 2HB ASN 91 1HB ASN 91 11.480 0.844 9.445 670 1HD2 ASN 91 1HD2 ASN 91 9.724 -1.984 10.248 671 2HD2 ASN 91 2HD2 ASN 91 9.432 -1.654 11.894 672 H ASP 92 H ASP 92 11.148 2.411 7.422 673 HA ASP 92 HA ASP 92 10.299 4.776 8.780 674 1HB ASP 92 2HB ASP 92 12.604 4.566 8.085 675 2HB ASP 92 1HB ASP 92 12.121 4.342 6.410 676 H TRP 93 H TRP 93 9.921 3.491 5.484 677 HA TRP 93 HA TRP 93 8.440 5.540 4.299 678 1HB TRP 93 2HB TRP 93 8.642 2.655 3.872 679 2HB TRP 93 1HB TRP 93 7.418 3.504 2.987 680 HD1 TRP 93 HD TRP 93 10.717 2.229 2.489 681 HE1 TRP 93 1HE TRP 93 12.069 3.494 0.720 682 HE3 TRP 93 3HE TRP 93 7.882 6.468 2.204 683 HZ2 TRP 93 2HZ TRP 93 11.962 5.977 -0.621 684 HZ3 TRP 93 3HZ TRP 93 8.573 8.242 0.654 685 HH2 TRP 93 HH TRP 93 10.571 8.005 -0.732 686 H GLU 94 H GLU 94 7.261 2.956 6.301 687 HA GLU 94 HA GLU 94 4.533 3.179 5.991 688 1HB GLU 94 2HB GLU 94 6.054 2.949 8.590 689 2HB GLU 94 1HB GLU 94 4.346 2.611 8.386 690 1HG GLU 94 2HG GLU 94 4.841 0.788 6.934 691 2HG GLU 94 1HG GLU 94 6.575 1.100 7.021 692 H THR 95 H THR 95 6.493 4.895 8.226 693 HA THR 95 HA THR 95 4.748 6.691 9.386 694 HB THR 95 HB THR 95 7.665 7.058 8.817 695 HG1 THR 95 1HG THR 95 6.247 5.582 10.813 696 1HG2 THR 95 1HG2 THR 95 5.913 7.954 11.130 697 2HG2 THR 95 2HG2 THR 95 6.543 8.995 9.857 698 3HG2 THR 95 3HG2 THR 95 7.648 8.236 11.001 699 H LYS 96 H LYS 96 6.460 6.852 6.338 700 HA LYS 96 HA LYS 96 6.378 9.715 6.077 701 1HB LYS 96 2HB LYS 96 7.021 7.548 4.079 702 2HB LYS 96 1HB LYS 96 7.329 9.268 3.850 703 1HG LYS 96 2HG LYS 96 8.486 7.635 6.067 704 2HG LYS 96 1HG LYS 96 9.364 7.881 4.592 705 1HD LYS 96 2HD LYS 96 9.184 10.372 5.054 706 2HD LYS 96 1HD LYS 96 8.481 9.948 6.613 707 1HE LYS 96 2HE LYS 96 10.490 8.689 7.197 708 2HE LYS 96 1HE LYS 96 11.186 9.070 5.631 709 1HZ LYS 96 1HZ LYS 96 12.045 10.492 7.370 710 2HZ LYS 96 2HZ LYS 96 10.508 11.018 7.758 711 3HZ LYS 96 3HZ LYS 96 11.184 11.409 6.247 712 H PHE 97 H PHE 97 4.662 6.959 4.989 713 HA PHE 97 HA PHE 97 2.792 8.451 3.442 714 1HB PHE 97 2HB PHE 97 3.047 5.635 4.347 715 2HB PHE 97 1HB PHE 97 1.564 6.169 3.601 716 HD1 PHE 97 1HD PHE 97 5.262 6.119 3.013 717 HD2 PHE 97 2HD PHE 97 1.384 5.978 1.276 718 HE1 PHE 97 1HE PHE 97 6.266 5.658 0.818 719 HE2 PHE 97 2HE PHE 97 2.382 5.520 -0.921 720 HZ PHE 97 HZ PHE 97 4.829 5.359 -1.152 721 H GLU 98 H GLU 98 2.856 6.804 6.553 722 HA GLU 98 HA GLU 98 0.274 7.238 7.425 723 1HB GLU 98 2HB GLU 98 2.852 6.801 8.785 724 2HB GLU 98 1HB GLU 98 1.493 7.017 9.818 725 1HG GLU 98 2HG GLU 98 0.441 5.055 8.504 726 2HG GLU 98 1HG GLU 98 2.055 4.851 7.822 727 H ALA 99 H ALA 99 2.719 9.636 7.148 728 HA ALA 99 HA ALA 99 1.285 11.348 9.046 729 1HB ALA 99 1HB ALA 99 3.696 11.111 9.418 730 2HB ALA 99 2HB ALA 99 3.259 12.773 9.010 731 3HB ALA 99 3HB ALA 99 3.995 11.734 7.792 732 H LYS 100 H LYS 100 1.413 10.708 5.757 733 HA LYS 100 HA LYS 100 0.633 13.455 5.151 734 1HB LYS 100 2HB LYS 100 2.255 11.536 3.531 735 2HB LYS 100 1HB LYS 100 1.360 12.816 2.754 736 1HG LYS 100 2HG LYS 100 3.626 13.522 3.003 737 2HG LYS 100 1HG LYS 100 2.646 14.454 4.122 738 1HD LYS 100 2HD LYS 100 3.387 13.004 5.952 739 2HD LYS 100 1HD LYS 100 4.358 12.061 4.815 740 1HE LYS 100 2HE LYS 100 5.552 14.086 4.212 741 2HE LYS 100 1HE LYS 100 4.666 14.984 5.443 742 1HZ LYS 100 1HZ LYS 100 5.658 13.493 7.133 743 2HZ LYS 100 2HZ LYS 100 6.820 14.337 6.285 744 3HZ LYS 100 3HZ LYS 100 6.547 12.717 5.926 745 H TYR 101 H TYR 101 0.060 10.062 4.473 746 HA TYR 101 HA TYR 101 -2.413 10.779 3.109 747 1HB TYR 101 2HB TYR 101 -0.911 8.161 3.195 748 2HB TYR 101 1HB TYR 101 -2.363 8.512 2.276 749 HD1 TYR 101 1HD TYR 101 1.164 8.442 2.253 750 HD2 TYR 101 2HD TYR 101 -2.166 10.374 0.473 751 HE1 TYR 101 1HE TYR 101 2.582 9.115 0.363 752 HE2 TYR 101 2HE TYR 101 -0.758 11.053 -1.434 753 HH TYR 101 HH TYR 101 2.270 9.687 -1.965 754 HA PRO 102 HA PRO 102 -4.371 9.336 6.823 755 1HB PRO 102 2HB PRO 102 -6.912 9.401 5.984 756 2HB PRO 102 1HB PRO 102 -5.994 10.887 6.270 757 1HG PRO 102 2HG PRO 102 -6.560 9.483 3.689 758 2HG PRO 102 1HG PRO 102 -6.666 11.212 4.067 759 1HD PRO 102 2HD PRO 102 -4.514 10.115 2.801 760 2HD PRO 102 1HD PRO 102 -4.401 11.522 3.884 761 H VAL 103 H VAL 103 -4.782 7.402 7.583 762 HA VAL 103 HA VAL 103 -5.029 5.095 5.893 763 HB VAL 103 HB VAL 103 -5.505 5.290 8.902 764 1HG1 VAL 103 1HG1 VAL 103 -6.616 3.343 7.939 765 2HG1 VAL 103 2HG1 VAL 103 -5.234 2.840 8.914 766 3HG1 VAL 103 3HG1 VAL 103 -5.116 2.851 7.154 767 1HG2 VAL 103 1HG2 VAL 103 -3.275 4.310 9.134 768 2HG2 VAL 103 2HG2 VAL 103 -3.187 5.843 8.256 769 3HG2 VAL 103 3HG2 VAL 103 -3.090 4.312 7.388 770 H VAL 104 H VAL 104 -6.759 4.902 4.754 771 HA VAL 104 HA VAL 104 -9.337 5.689 5.906 772 HB VAL 104 HB VAL 104 -10.218 5.664 3.590 773 1HG1 VAL 104 1HG1 VAL 104 -9.378 7.744 4.547 774 2HG1 VAL 104 2HG1 VAL 104 -9.038 7.679 2.819 775 3HG1 VAL 104 3HG1 VAL 104 -7.753 7.359 3.984 776 1HG2 VAL 104 1HG2 VAL 104 -8.698 4.010 2.630 777 2HG2 VAL 104 2HG2 VAL 104 -7.348 5.129 2.835 778 3HG2 VAL 104 3HG2 VAL 104 -8.649 5.520 1.715 779 H GLY 105 H GLY 105 -7.565 2.953 5.620 780 1HA GLY 105 2HA GLY 105 -9.731 1.383 6.330 781 2HA GLY 105 1HA GLY 105 -9.480 1.117 4.637 782 H ARG 106 H ARG 106 -9.149 -0.948 5.134 783 HA ARG 106 HA ARG 106 -6.631 -1.784 6.443 784 1HB ARG 106 2HB ARG 106 -8.607 -2.182 7.868 785 2HB ARG 106 1HB ARG 106 -9.361 -2.887 6.441 786 1HG ARG 106 2HG ARG 106 -8.688 -4.623 8.018 787 2HG ARG 106 1HG ARG 106 -7.841 -4.756 6.483 788 1HD ARG 106 2HD ARG 106 -6.393 -5.134 8.377 789 2HD ARG 106 1HD ARG 106 -5.927 -3.724 7.407 790 HE ARG 106 HE ARG 106 -7.703 -3.013 9.455 791 1HH1 ARG 106 1HH1 ARG 106 -4.269 -3.811 9.042 792 2HH1 ARG 106 2HH1 ARG 106 -3.738 -3.033 10.447 793 1HH2 ARG 106 1HH2 ARG 106 -6.972 -1.937 11.448 794 2HH2 ARG 106 2HH2 ARG 106 -5.331 -1.961 11.867 795 H VAL 107 H VAL 107 -5.559 -3.247 5.146 796 HA VAL 107 HA VAL 107 -7.214 -4.517 3.143 797 HB VAL 107 HB VAL 107 -5.464 -3.042 2.088 798 1HG1 VAL 107 1HG1 VAL 107 -3.618 -5.000 3.271 799 2HG1 VAL 107 2HG1 VAL 107 -3.805 -3.277 3.692 800 3HG1 VAL 107 3HG1 VAL 107 -3.171 -3.749 2.090 801 1HG2 VAL 107 1HG2 VAL 107 -6.379 -4.894 0.850 802 2HG2 VAL 107 2HG2 VAL 107 -5.182 -5.979 1.558 803 3HG2 VAL 107 3HG2 VAL 107 -4.669 -4.688 0.463 804 H VAL 108 H VAL 108 -7.411 -6.480 3.287 805 HA VAL 108 HA VAL 108 -5.912 -7.918 5.334 806 HB VAL 108 HB VAL 108 -7.971 -9.245 5.630 807 1HG1 VAL 108 1HG1 VAL 108 -9.464 -7.431 6.386 808 2HG1 VAL 108 2HG1 VAL 108 -8.612 -6.379 5.279 809 3HG1 VAL 108 3HG1 VAL 108 -7.752 -6.991 6.707 810 1HG2 VAL 108 1HG2 VAL 108 -9.987 -8.735 4.422 811 2HG2 VAL 108 2HG2 VAL 108 -8.718 -9.167 3.238 812 3HG2 VAL 108 3HG2 VAL 108 -9.136 -7.464 3.567 813 H SER 109 H SER 109 -5.072 -10.000 4.727 814 HA SER 109 HA SER 109 -5.541 -10.753 1.990 815 1HB SER 109 2HB SER 109 -3.125 -10.673 1.410 816 2HB SER 109 1HB SER 109 -3.846 -9.110 1.869 817 HG SER 109 HG SER 109 -2.436 -10.775 3.612 Start of MODEL 7 1 1H MET 1 1HT MET 1 -14.651 -10.010 -2.913 2 2H MET 1 2HT MET 1 -13.210 -9.141 -2.686 3 3H MET 1 3HT MET 1 -14.601 -8.357 -3.297 4 HA MET 1 HA MET 1 -15.717 -8.710 -1.250 5 1HB MET 1 2HB MET 1 -13.079 -9.885 -0.324 6 2HB MET 1 1HB MET 1 -14.457 -9.544 0.701 7 1HG MET 1 2HG MET 1 -14.347 -11.903 0.275 8 2HG MET 1 1HG MET 1 -15.757 -11.242 -0.541 9 1HE MET 1 1HE MET 1 -14.579 -14.196 -2.863 10 2HE MET 1 2HE MET 1 -15.905 -13.539 -1.901 11 3HE MET 1 3HE MET 1 -14.450 -14.134 -1.106 12 H GLY 2 H GLY 2 -15.858 -6.578 -1.021 13 1HA GLY 2 2HA GLY 2 -13.605 -5.191 0.194 14 2HA GLY 2 1HA GLY 2 -14.372 -4.488 -1.236 15 H HIS 3 H HIS 3 -14.395 -4.449 2.052 16 HA HIS 3 HA HIS 3 -16.959 -3.149 2.209 17 1HB HIS 3 2HB HIS 3 -17.992 -4.715 3.790 18 2HB HIS 3 1HB HIS 3 -17.617 -5.572 2.305 19 HD1 HIS 3 1HD HIS 3 -17.331 -5.903 5.870 20 HD2 HIS 3 2HD HIS 3 -14.998 -7.088 2.637 21 HE1 HIS 3 1HE HIS 3 -15.815 -7.694 6.745 22 HE2 HIS 3 2HE HIS 3 -14.176 -8.032 4.878 23 H HIS 4 H HIS 4 -17.123 -2.073 4.307 24 HA HIS 4 HA HIS 4 -14.553 -1.752 5.462 25 1HB HIS 4 2HB HIS 4 -15.494 -0.178 7.101 26 2HB HIS 4 1HB HIS 4 -16.200 0.159 5.535 27 HD1 HIS 4 1HD HIS 4 -17.086 0.077 8.892 28 HD2 HIS 4 2HD HIS 4 -18.906 -1.312 5.447 29 HE1 HIS 4 1HE HIS 4 -19.513 -0.212 9.490 30 HE2 HIS 4 2HE HIS 4 -20.597 -0.674 7.256 31 H HIS 5 H HIS 5 -13.721 -2.541 7.468 32 HA HIS 5 HA HIS 5 -14.699 -5.197 7.946 33 1HB HIS 5 2HB HIS 5 -12.254 -4.561 8.029 34 2HB HIS 5 1HB HIS 5 -12.583 -3.678 9.511 35 HD1 HIS 5 1HD HIS 5 -11.641 -7.026 8.260 36 HD2 HIS 5 2HD HIS 5 -13.416 -5.464 11.702 37 HE1 HIS 5 1HE HIS 5 -11.394 -8.769 10.016 38 HE2 HIS 5 2HE HIS 5 -12.781 -7.941 11.914 39 H HIS 6 H HIS 6 -14.668 -2.182 9.718 40 HA HIS 6 HA HIS 6 -17.128 -2.603 10.899 41 1HB HIS 6 2HB HIS 6 -16.522 -2.742 13.292 42 2HB HIS 6 1HB HIS 6 -15.789 -4.086 12.453 43 HD1 HIS 6 1HD HIS 6 -15.064 -1.766 15.004 44 HD2 HIS 6 2HD HIS 6 -12.869 -3.314 11.830 45 HE1 HIS 6 1HE HIS 6 -12.679 -1.435 15.622 46 HE2 HIS 6 2HE HIS 6 -11.413 -2.706 13.853 47 H HIS 7 H HIS 7 -16.914 -0.600 12.912 48 HA HIS 7 HA HIS 7 -16.199 1.601 11.231 49 1HB HIS 7 2HB HIS 7 -17.203 1.634 14.084 50 2HB HIS 7 1HB HIS 7 -16.766 3.091 13.204 51 HD1 HIS 7 1HD HIS 7 -18.347 3.848 11.312 52 HD2 HIS 7 2HD HIS 7 -19.630 0.474 13.352 53 HE1 HIS 7 1HE HIS 7 -20.750 3.539 10.650 54 HE2 HIS 7 2HE HIS 7 -21.557 1.698 12.147 55 H HIS 8 H HIS 8 -14.143 0.886 10.897 56 HA HIS 8 HA HIS 8 -12.174 2.552 11.622 57 1HB HIS 8 2HB HIS 8 -12.264 1.585 13.943 58 2HB HIS 8 1HB HIS 8 -11.883 0.006 13.270 59 HD1 HIS 8 1HD HIS 8 -9.437 -0.557 13.192 60 HD2 HIS 8 2HD HIS 8 -10.089 3.531 13.529 61 HE1 HIS 8 1HE HIS 8 -7.179 0.453 13.565 62 HE2 HIS 8 2HE HIS 8 -7.672 2.852 14.102 63 H LEU 9 H LEU 9 -11.372 2.361 9.685 64 HA LEU 9 HA LEU 9 -10.216 1.648 7.917 65 1HB LEU 9 2HB LEU 9 -9.610 -0.890 9.438 66 2HB LEU 9 1HB LEU 9 -8.816 -0.313 8.007 67 HG LEU 9 HG LEU 9 -8.681 1.001 10.721 68 1HD1 LEU 9 1HD1 LEU 9 -6.610 -0.490 9.134 69 2HD1 LEU 9 2HD1 LEU 9 -7.426 -1.056 10.592 70 3HD1 LEU 9 3HD1 LEU 9 -6.343 0.335 10.673 71 1HD2 LEU 9 1HD2 LEU 9 -7.315 1.748 8.137 72 2HD2 LEU 9 2HD2 LEU 9 -7.010 2.479 9.709 73 3HD2 LEU 9 3HD2 LEU 9 -8.586 2.674 8.938 74 H GLU 10 H GLU 10 -11.315 1.351 6.191 75 HA GLU 10 HA GLU 10 -13.154 -0.736 5.980 76 1HB GLU 10 2HB GLU 10 -13.291 0.053 3.487 77 2HB GLU 10 1HB GLU 10 -13.917 1.084 4.750 78 1HG GLU 10 2HG GLU 10 -11.129 1.457 3.692 79 2HG GLU 10 1HG GLU 10 -12.523 2.134 2.851 80 H GLU 11 H GLU 11 -12.859 -2.758 5.298 81 HA GLU 11 HA GLU 11 -10.208 -3.564 4.769 82 1HB GLU 11 2HB GLU 11 -11.257 -4.884 6.260 83 2HB GLU 11 1HB GLU 11 -12.772 -5.007 5.330 84 1HG GLU 11 2HG GLU 11 -11.591 -6.343 3.743 85 2HG GLU 11 1HG GLU 11 -10.102 -6.249 4.632 86 H PHE 12 H PHE 12 -9.401 -4.083 3.002 87 HA PHE 12 HA PHE 12 -10.914 -4.541 0.529 88 1HB PHE 12 2HB PHE 12 -8.254 -3.380 1.171 89 2HB PHE 12 1HB PHE 12 -8.716 -4.027 -0.386 90 HD1 PHE 12 1HD PHE 12 -10.517 -2.766 -1.678 91 HD2 PHE 12 2HD PHE 12 -8.896 -1.199 1.949 92 HE1 PHE 12 1HE PHE 12 -11.429 -0.549 -2.215 93 HE2 PHE 12 2HE PHE 12 -9.804 0.989 1.415 94 HZ PHE 12 HZ PHE 12 -11.080 1.332 -0.671 95 H THR 13 H THR 13 -10.030 -6.315 -0.748 96 HA THR 13 HA THR 13 -8.113 -7.849 0.790 97 HB THR 13 HB THR 13 -9.868 -8.798 -1.490 98 HG1 THR 13 1HG THR 13 -11.327 -8.458 0.036 99 1HG2 THR 13 1HG2 THR 13 -7.897 -10.091 -1.073 100 2HG2 THR 13 2HG2 THR 13 -9.322 -11.009 -0.510 101 3HG2 THR 13 3HG2 THR 13 -8.268 -10.142 0.642 102 H ALA 14 H ALA 14 -6.348 -8.789 -0.549 103 HA ALA 14 HA ALA 14 -5.176 -6.590 -1.879 104 1HB ALA 14 1HB ALA 14 -3.899 -8.143 -0.497 105 2HB ALA 14 2HB ALA 14 -3.186 -7.846 -2.078 106 3HB ALA 14 3HB ALA 14 -4.041 -9.367 -1.767 107 H GLU 15 H GLU 15 -6.462 -9.606 -3.184 108 HA GLU 15 HA GLU 15 -5.644 -9.050 -5.849 109 1HB GLU 15 2HB GLU 15 -8.035 -10.674 -4.960 110 2HB GLU 15 1HB GLU 15 -7.324 -10.689 -6.565 111 1HG GLU 15 2HG GLU 15 -5.237 -11.573 -5.572 112 2HG GLU 15 1HG GLU 15 -6.067 -11.658 -4.018 113 H GLN 16 H GLN 16 -8.320 -8.039 -3.906 114 HA GLN 16 HA GLN 16 -9.693 -6.883 -6.120 115 1HB GLN 16 2HB GLN 16 -10.194 -6.645 -3.162 116 2HB GLN 16 1HB GLN 16 -11.149 -5.769 -4.336 117 1HG GLN 16 2HG GLN 16 -12.470 -7.604 -4.060 118 2HG GLN 16 1HG GLN 16 -11.424 -8.132 -5.367 119 1HE2 GLN 16 1HE2 GLN 16 -9.790 -9.683 -4.889 120 2HE2 GLN 16 2HE2 GLN 16 -9.922 -10.679 -3.489 121 H LEU 17 H LEU 17 -7.482 -5.771 -3.714 122 HA LEU 17 HA LEU 17 -7.838 -3.023 -3.977 123 1HB LEU 17 2HB LEU 17 -6.571 -4.166 -2.173 124 2HB LEU 17 1HB LEU 17 -5.299 -4.448 -3.363 125 HG LEU 17 HG LEU 17 -5.095 -2.002 -3.669 126 1HD1 LEU 17 1HD1 LEU 17 -6.931 -1.894 -1.313 127 2HD1 LEU 17 2HD1 LEU 17 -7.254 -1.270 -2.941 128 3HD1 LEU 17 3HD1 LEU 17 -6.003 -0.534 -1.933 129 1HD2 LEU 17 1HD2 LEU 17 -3.911 -1.576 -1.626 130 2HD2 LEU 17 2HD2 LEU 17 -3.569 -3.193 -2.272 131 3HD2 LEU 17 3HD2 LEU 17 -4.658 -2.994 -0.875 132 H SER 18 H SER 18 -6.012 -5.304 -5.938 133 HA SER 18 HA SER 18 -4.224 -3.449 -7.054 134 1HB SER 18 2HB SER 18 -3.762 -5.328 -8.642 135 2HB SER 18 1HB SER 18 -3.582 -5.700 -6.935 136 HG SER 18 HG SER 18 -5.011 -6.999 -8.626 137 H GLN 19 H GLN 19 -7.275 -3.278 -7.410 138 HA GLN 19 HA GLN 19 -7.316 -2.635 -10.297 139 1HB GLN 19 2HB GLN 19 -9.588 -2.948 -8.333 140 2HB GLN 19 1HB GLN 19 -9.752 -2.669 -10.064 141 1HG GLN 19 2HG GLN 19 -8.792 -4.792 -10.567 142 2HG GLN 19 1HG GLN 19 -8.384 -5.064 -8.876 143 1HE2 GLN 19 1HE2 GLN 19 -9.994 -5.491 -7.453 144 2HE2 GLN 19 2HE2 GLN 19 -11.541 -6.100 -7.920 145 H TYR 20 H TYR 20 -7.120 -1.368 -7.195 146 HA TYR 20 HA TYR 20 -8.295 1.219 -7.793 147 1HB TYR 20 2HB TYR 20 -7.174 -0.067 -5.310 148 2HB TYR 20 1HB TYR 20 -7.750 1.589 -5.313 149 HD1 TYR 20 1HD TYR 20 -10.182 2.033 -5.672 150 HD2 TYR 20 2HD TYR 20 -8.672 -1.913 -5.305 151 HE1 TYR 20 1HE TYR 20 -12.454 1.220 -5.272 152 HE2 TYR 20 2HE TYR 20 -10.938 -2.761 -4.887 153 HH TYR 20 HH TYR 20 -13.714 -0.848 -5.433 154 H ASN 21 H ASN 21 -6.085 0.496 -9.282 155 HA ASN 21 HA ASN 21 -3.729 1.708 -8.178 156 1HB ASN 21 2HB ASN 21 -2.703 1.287 -10.385 157 2HB ASN 21 1HB ASN 21 -3.398 -0.141 -9.665 158 1HD2 ASN 21 1HD2 ASN 21 -3.494 -1.151 -11.681 159 2HD2 ASN 21 2HD2 ASN 21 -4.690 -0.750 -12.851 160 H GLY 22 H GLY 22 -6.435 2.850 -9.761 161 1HA GLY 22 2HA GLY 22 -6.969 5.162 -9.860 162 2HA GLY 22 1HA GLY 22 -5.249 5.498 -9.709 163 H THR 23 H THR 23 -5.147 3.377 -12.077 164 HA THR 23 HA THR 23 -5.412 5.582 -13.944 165 HB THR 23 HB THR 23 -3.251 4.477 -13.904 166 HG1 THR 23 1HG THR 23 -4.861 4.339 -16.244 167 1HG2 THR 23 1HG2 THR 23 -4.734 2.072 -14.977 168 2HG2 THR 23 2HG2 THR 23 -3.932 2.179 -13.413 169 3HG2 THR 23 3HG2 THR 23 -2.979 2.213 -14.898 170 H ASP 24 H ASP 24 -7.148 3.002 -12.938 171 HA ASP 24 HA ASP 24 -8.230 2.491 -15.512 172 1HB ASP 24 2HB ASP 24 -8.346 0.680 -13.739 173 2HB ASP 24 1HB ASP 24 -9.426 1.717 -12.871 174 H GLU 25 H GLU 25 -8.770 4.575 -16.123 175 HA GLU 25 HA GLU 25 -10.108 6.180 -16.669 176 1HB GLU 25 2HB GLU 25 -12.119 4.827 -14.893 177 2HB GLU 25 1HB GLU 25 -12.460 6.162 -15.983 178 1HG GLU 25 2HG GLU 25 -11.826 4.740 -17.875 179 2HG GLU 25 1HG GLU 25 -11.541 3.409 -16.751 180 H SER 26 H SER 26 -10.917 5.504 -13.360 181 HA SER 26 HA SER 26 -9.919 7.966 -12.368 182 1HB SER 26 2HB SER 26 -11.589 8.878 -13.651 183 2HB SER 26 1HB SER 26 -12.716 7.593 -13.222 184 HG SER 26 HG SER 26 -12.479 8.550 -11.019 185 H LYS 27 H LYS 27 -10.359 4.850 -11.783 186 HA LYS 27 HA LYS 27 -12.043 4.830 -9.511 187 1HB LYS 27 2HB LYS 27 -9.849 2.780 -10.090 188 2HB LYS 27 1HB LYS 27 -11.117 2.623 -8.916 189 1HG LYS 27 2HG LYS 27 -12.602 2.999 -11.217 190 2HG LYS 27 1HG LYS 27 -11.180 2.214 -11.800 191 1HD LYS 27 2HD LYS 27 -12.662 1.098 -9.438 192 2HD LYS 27 1HD LYS 27 -13.051 0.669 -11.098 193 1HE LYS 27 2HE LYS 27 -10.285 0.395 -9.955 194 2HE LYS 27 1HE LYS 27 -11.485 -0.881 -9.812 195 1HZ LYS 27 1HZ LYS 27 -10.715 0.260 -12.446 196 2HZ LYS 27 2HZ LYS 27 -11.537 -1.164 -12.129 197 3HZ LYS 27 3HZ LYS 27 -9.914 -1.042 -11.754 198 HA PRO 28 HA PRO 28 -9.697 6.573 -6.162 199 1HB PRO 28 2HB PRO 28 -10.513 4.100 -4.695 200 2HB PRO 28 1HB PRO 28 -10.661 5.790 -4.192 201 1HG PRO 28 2HG PRO 28 -12.805 4.516 -5.025 202 2HG PRO 28 1HG PRO 28 -12.493 6.170 -5.593 203 1HD PRO 28 2HD PRO 28 -12.086 3.575 -7.021 204 2HD PRO 28 1HD PRO 28 -12.738 5.112 -7.631 205 H ILE 29 H ILE 29 -7.733 6.280 -5.020 206 HA ILE 29 HA ILE 29 -6.155 3.968 -5.965 207 HB ILE 29 HB ILE 29 -4.983 6.681 -5.338 208 1HG1 ILE 29 2HG1 ILE 29 -6.016 5.705 -7.994 209 2HG1 ILE 29 1HG1 ILE 29 -6.700 7.011 -7.055 210 1HG2 ILE 29 1HG2 ILE 29 -3.186 5.861 -6.787 211 2HG2 ILE 29 2HG2 ILE 29 -4.135 4.433 -7.168 212 3HG2 ILE 29 3HG2 ILE 29 -3.514 4.650 -5.537 213 1HD1 ILE 29 1HD1 ILE 29 -3.951 6.994 -8.270 214 2HD1 ILE 29 2HD1 ILE 29 -4.648 8.293 -7.303 215 3HD1 ILE 29 3HD1 ILE 29 -5.349 7.889 -8.868 216 H TYR 30 H TYR 30 -4.858 2.935 -4.331 217 HA TYR 30 HA TYR 30 -4.804 4.149 -1.729 218 1HB TYR 30 2HB TYR 30 -6.117 1.502 -2.334 219 2HB TYR 30 1HB TYR 30 -5.667 2.043 -0.726 220 HD1 TYR 30 1HD TYR 30 -6.748 4.276 0.058 221 HD2 TYR 30 2HD TYR 30 -8.240 1.927 -3.154 222 HE1 TYR 30 1HE TYR 30 -8.945 5.344 0.306 223 HE2 TYR 30 2HE TYR 30 -10.436 2.990 -2.916 224 HH TYR 30 HH TYR 30 -10.892 5.782 -1.101 225 H VAL 31 H VAL 31 -3.144 3.309 -0.524 226 HA VAL 31 HA VAL 31 -1.610 1.166 -1.773 227 HB VAL 31 HB VAL 31 -0.392 3.264 -2.270 228 1HG1 VAL 31 1HG1 VAL 31 0.582 4.619 -0.606 229 2HG1 VAL 31 2HG1 VAL 31 -0.237 3.720 0.673 230 3HG1 VAL 31 3HG1 VAL 31 -1.179 4.676 -0.505 231 1HG2 VAL 31 1HG2 VAL 31 1.728 2.749 -1.241 232 2HG2 VAL 31 2HG2 VAL 31 0.843 1.367 -1.961 233 3HG2 VAL 31 3HG2 VAL 31 0.877 1.575 -0.191 234 H ALA 32 H ALA 32 -0.763 -0.354 -0.365 235 HA ALA 32 HA ALA 32 -1.719 0.006 2.384 236 1HB ALA 32 1HB ALA 32 -1.423 -2.613 0.934 237 2HB ALA 32 2HB ALA 32 -2.923 -1.715 1.118 238 3HB ALA 32 3HB ALA 32 -2.097 -2.352 2.538 239 H ILE 33 H ILE 33 -0.366 0.060 3.940 240 HA ILE 33 HA ILE 33 2.259 -1.273 3.717 241 HB ILE 33 HB ILE 33 1.737 1.407 5.082 242 1HG1 ILE 33 2HG1 ILE 33 3.197 0.829 2.496 243 2HG1 ILE 33 1HG1 ILE 33 1.653 1.656 2.647 244 1HG2 ILE 33 1HG2 ILE 33 4.300 -0.111 4.634 245 2HG2 ILE 33 2HG2 ILE 33 3.509 0.174 6.187 246 3HG2 ILE 33 3HG2 ILE 33 4.199 1.523 5.270 247 1HD1 ILE 33 1HD1 ILE 33 2.752 3.475 3.867 248 2HD1 ILE 33 2HD1 ILE 33 3.476 3.210 2.272 249 3HD1 ILE 33 3HD1 ILE 33 4.291 2.613 3.726 250 H LYS 34 H LYS 34 2.326 -2.840 5.201 251 HA LYS 34 HA LYS 34 2.106 -4.062 7.109 252 1HB LYS 34 2HB LYS 34 1.244 -1.438 8.353 253 2HB LYS 34 1HB LYS 34 1.414 -2.927 9.262 254 1HG LYS 34 2HG LYS 34 3.632 -1.531 7.778 255 2HG LYS 34 1HG LYS 34 3.315 -1.385 9.507 256 1HD LYS 34 2HD LYS 34 3.662 -3.824 9.732 257 2HD LYS 34 1HD LYS 34 4.063 -3.899 8.016 258 1HE LYS 34 2HE LYS 34 6.093 -3.827 9.367 259 2HE LYS 34 1HE LYS 34 5.944 -2.376 8.387 260 1HZ LYS 34 1HZ LYS 34 6.661 -1.940 10.652 261 2HZ LYS 34 2HZ LYS 34 5.194 -2.516 11.274 262 3HZ LYS 34 3HZ LYS 34 5.244 -1.145 10.257 263 H GLY 35 H GLY 35 -0.142 -3.107 5.279 264 1HA GLY 35 2HA GLY 35 -2.108 -4.323 4.946 265 2HA GLY 35 1HA GLY 35 -2.267 -4.603 6.658 266 H ARG 36 H ARG 36 -1.427 -1.518 6.754 267 HA ARG 36 HA ARG 36 -4.104 -0.541 6.983 268 1HB ARG 36 2HB ARG 36 -1.457 0.921 7.044 269 2HB ARG 36 1HB ARG 36 -2.989 1.495 7.680 270 1HG ARG 36 2HG ARG 36 -2.936 -0.172 9.429 271 2HG ARG 36 1HG ARG 36 -1.480 -0.881 8.711 272 1HD ARG 36 2HD ARG 36 -1.717 1.897 9.858 273 2HD ARG 36 1HD ARG 36 -0.912 0.530 10.627 274 HE ARG 36 HE ARG 36 -0.049 1.706 8.070 275 1HH1 ARG 36 1HH1 ARG 36 0.746 0.286 11.207 276 2HH1 ARG 36 2HH1 ARG 36 2.425 0.452 11.009 277 1HH2 ARG 36 1HH2 ARG 36 2.314 1.908 7.817 278 2HH2 ARG 36 2HH2 ARG 36 3.312 1.340 9.085 279 H VAL 37 H VAL 37 -5.119 0.518 5.385 280 HA VAL 37 HA VAL 37 -3.668 0.921 2.907 281 HB VAL 37 HB VAL 37 -6.645 0.929 3.494 282 1HG1 VAL 37 1HG1 VAL 37 -6.115 2.473 1.666 283 2HG1 VAL 37 2HG1 VAL 37 -6.929 1.017 1.067 284 3HG1 VAL 37 3HG1 VAL 37 -5.175 1.189 0.903 285 1HG2 VAL 37 1HG2 VAL 37 -5.616 -1.265 3.571 286 2HG2 VAL 37 2HG2 VAL 37 -4.884 -0.977 1.989 287 3HG2 VAL 37 3HG2 VAL 37 -6.640 -1.102 2.138 288 H PHE 38 H PHE 38 -3.160 2.831 2.155 289 HA PHE 38 HA PHE 38 -3.949 5.264 3.634 290 1HB PHE 38 2HB PHE 38 -1.682 4.727 1.714 291 2HB PHE 38 1HB PHE 38 -1.953 6.250 2.531 292 HD1 PHE 38 1HD PHE 38 -1.693 2.662 3.620 293 HD2 PHE 38 2HD PHE 38 -0.335 6.656 4.129 294 HE1 PHE 38 1HE PHE 38 -0.193 1.918 5.401 295 HE2 PHE 38 2HE PHE 38 1.164 5.912 5.913 296 HZ PHE 38 HZ PHE 38 1.246 3.543 6.551 297 H ASP 39 H ASP 39 -4.964 6.932 2.438 298 HA ASP 39 HA ASP 39 -5.836 6.203 -0.233 299 1HB ASP 39 2HB ASP 39 -7.494 7.348 1.172 300 2HB ASP 39 1HB ASP 39 -6.426 8.746 1.313 301 H VAL 40 H VAL 40 -4.870 6.705 -1.980 302 HA VAL 40 HA VAL 40 -3.275 9.130 -2.007 303 HB VAL 40 HB VAL 40 -1.742 8.035 -3.702 304 1HG1 VAL 40 1HG1 VAL 40 -0.377 6.884 -1.996 305 2HG1 VAL 40 2HG1 VAL 40 -1.764 6.891 -0.899 306 3HG1 VAL 40 3HG1 VAL 40 -1.024 8.411 -1.400 307 1HG2 VAL 40 1HG2 VAL 40 -3.138 6.140 -4.268 308 2HG2 VAL 40 2HG2 VAL 40 -2.996 5.516 -2.624 309 3HG2 VAL 40 3HG2 VAL 40 -1.574 5.589 -3.668 310 H THR 41 H THR 41 -6.044 8.270 -2.808 311 HA THR 41 HA THR 41 -6.319 8.568 -5.619 312 HB THR 41 HB THR 41 -8.253 9.517 -3.476 313 HG1 THR 41 1HG THR 41 -8.231 7.530 -2.874 314 1HG2 THR 41 1HG2 THR 41 -8.799 10.152 -5.785 315 2HG2 THR 41 2HG2 THR 41 -9.961 8.967 -5.179 316 3HG2 THR 41 3HG2 THR 41 -8.675 8.471 -6.282 317 H THR 42 H THR 42 -6.214 10.616 -2.834 318 HA THR 42 HA THR 42 -6.642 13.106 -3.967 319 HB THR 42 HB THR 42 -5.359 13.824 -1.866 320 HG1 THR 42 1HG THR 42 -5.735 11.134 -1.027 321 1HG2 THR 42 1HG2 THR 42 -7.767 12.004 -1.613 322 2HG2 THR 42 2HG2 THR 42 -7.819 13.723 -1.994 323 3HG2 THR 42 3HG2 THR 42 -7.253 13.187 -0.411 324 H GLY 43 H GLY 43 -3.874 11.045 -4.032 325 1HA GLY 43 2HA GLY 43 -2.228 13.213 -5.175 326 2HA GLY 43 1HA GLY 43 -1.567 11.808 -4.338 327 H LYS 44 H LYS 44 -4.154 11.956 -6.772 328 HA LYS 44 HA LYS 44 -3.302 9.712 -8.099 329 1HB LYS 44 2HB LYS 44 -5.585 10.261 -8.172 330 2HB LYS 44 1HB LYS 44 -5.274 11.886 -8.733 331 1HG LYS 44 2HG LYS 44 -4.565 9.552 -10.450 332 2HG LYS 44 1HG LYS 44 -6.243 10.062 -10.345 333 1HD LYS 44 2HD LYS 44 -3.931 11.857 -11.088 334 2HD LYS 44 1HD LYS 44 -4.979 11.046 -12.252 335 1HE LYS 44 2HE LYS 44 -6.908 12.243 -11.360 336 2HE LYS 44 1HE LYS 44 -5.902 13.034 -10.157 337 1HZ LYS 44 1HZ LYS 44 -6.387 14.451 -12.022 338 2HZ LYS 44 2HZ LYS 44 -5.673 13.404 -13.119 339 3HZ LYS 44 3HZ LYS 44 -4.740 14.189 -11.952 340 H SER 45 H SER 45 -2.374 13.013 -8.604 341 HA SER 45 HA SER 45 -1.253 12.484 -11.160 342 1HB SER 45 2HB SER 45 -0.821 14.794 -9.263 343 2HB SER 45 1HB SER 45 -0.270 14.741 -10.940 344 HG SER 45 HG SER 45 -2.805 15.131 -9.914 345 H PHE 46 H PHE 46 -0.256 11.548 -8.101 346 HA PHE 46 HA PHE 46 2.543 11.413 -8.978 347 1HB PHE 46 2HB PHE 46 1.441 11.290 -6.161 348 2HB PHE 46 1HB PHE 46 3.138 11.160 -6.593 349 HD1 PHE 46 1HD PHE 46 4.320 13.136 -7.530 350 HD2 PHE 46 2HD PHE 46 0.356 13.388 -5.996 351 HE1 PHE 46 1HE PHE 46 4.545 15.578 -7.357 352 HE2 PHE 46 2HE PHE 46 0.571 15.834 -5.830 353 HZ PHE 46 HZ PHE 46 2.668 16.932 -6.509 354 H TYR 47 H TYR 47 -0.165 9.585 -7.701 355 HA TYR 47 HA TYR 47 1.399 7.110 -7.887 356 1HB TYR 47 2HB TYR 47 -1.117 7.742 -6.367 357 2HB TYR 47 1HB TYR 47 -0.469 6.115 -6.508 358 HD1 TYR 47 1HD TYR 47 0.299 9.521 -5.294 359 HD2 TYR 47 2HD TYR 47 1.271 5.391 -5.115 360 HE1 TYR 47 1HE TYR 47 1.779 9.960 -3.404 361 HE2 TYR 47 2HE TYR 47 2.766 5.824 -3.213 362 HH TYR 47 HH TYR 47 4.026 7.694 -2.276 363 H GLY 48 H GLY 48 -1.503 8.607 -9.159 364 1HA GLY 48 2HA GLY 48 -2.386 6.079 -10.347 365 2HA GLY 48 1HA GLY 48 -3.258 7.582 -10.300 366 H SER 49 H SER 49 -2.608 9.277 -11.714 367 HA SER 49 HA SER 49 -2.104 8.126 -14.343 368 1HB SER 49 2HB SER 49 -4.066 9.494 -13.880 369 2HB SER 49 1HB SER 49 -3.045 10.897 -13.582 370 HG SER 49 HG SER 49 -3.394 9.449 -15.985 371 H GLY 50 H GLY 50 -0.242 9.322 -12.064 372 1HA GLY 50 2HA GLY 50 1.857 10.102 -13.945 373 2HA GLY 50 1HA GLY 50 1.498 11.189 -12.589 374 H GLY 51 H GLY 51 1.104 7.813 -12.606 375 1HA GLY 51 2HA GLY 51 2.159 7.518 -10.045 376 2HA GLY 51 1HA GLY 51 1.668 6.232 -11.116 377 H ASP 52 H ASP 52 4.249 8.207 -9.989 378 HA ASP 52 HA ASP 52 6.335 6.651 -11.282 379 1HB ASP 52 2HB ASP 52 6.743 9.001 -10.507 380 2HB ASP 52 1HB ASP 52 6.472 8.476 -8.850 381 H TYR 53 H TYR 53 4.378 6.650 -8.580 382 HA TYR 53 HA TYR 53 5.605 4.264 -7.385 383 1HB TYR 53 2HB TYR 53 3.656 6.258 -6.196 384 2HB TYR 53 1HB TYR 53 4.356 4.880 -5.364 385 HD1 TYR 53 1HD TYR 53 4.767 8.323 -6.284 386 HD2 TYR 53 2HD TYR 53 6.855 4.867 -4.946 387 HE1 TYR 53 1HE TYR 53 6.619 9.737 -5.554 388 HE2 TYR 53 2HE TYR 53 8.726 6.280 -4.205 389 HH TYR 53 HH TYR 53 9.648 8.468 -4.727 390 H SER 54 H SER 54 3.996 4.216 -9.772 391 HA SER 54 HA SER 54 1.265 3.775 -9.269 392 1HB SER 54 2HB SER 54 2.166 4.347 -11.507 393 2HB SER 54 1HB SER 54 2.944 2.757 -11.562 394 HG SER 54 HG SER 54 0.454 2.282 -11.028 395 H MET 55 H MET 55 3.983 1.751 -8.685 396 HA MET 55 HA MET 55 2.397 -0.678 -8.630 397 1HB MET 55 2HB MET 55 5.246 -0.186 -7.775 398 2HB MET 55 1HB MET 55 4.449 -1.754 -7.710 399 1HG MET 55 2HG MET 55 4.974 -0.104 -10.143 400 2HG MET 55 1HG MET 55 5.819 -1.567 -9.685 401 1HE MET 55 1HE MET 55 3.744 -2.767 -12.802 402 2HE MET 55 2HE MET 55 5.351 -2.635 -12.086 403 3HE MET 55 3HE MET 55 4.474 -1.180 -12.570 404 H PHE 56 H PHE 56 2.858 1.870 -6.664 405 HA PHE 56 HA PHE 56 2.283 0.449 -4.175 406 1HB PHE 56 2HB PHE 56 2.570 3.413 -4.793 407 2HB PHE 56 1HB PHE 56 2.295 2.713 -3.207 408 HD1 PHE 56 1HD PHE 56 4.108 3.032 -1.901 409 HD2 PHE 56 2HD PHE 56 4.746 1.918 -5.952 410 HE1 PHE 56 1HE PHE 56 6.488 2.964 -1.493 411 HE2 PHE 56 2HE PHE 56 7.168 1.841 -5.554 412 HZ PHE 56 HZ PHE 56 8.058 2.363 -3.318 413 H ALA 57 H ALA 57 1.027 2.637 -6.518 414 HA ALA 57 HA ALA 57 -1.503 3.178 -5.509 415 1HB ALA 57 1HB ALA 57 -2.060 3.816 -7.780 416 2HB ALA 57 2HB ALA 57 -0.664 2.934 -8.379 417 3HB ALA 57 3HB ALA 57 -0.425 4.364 -7.386 418 H GLY 58 H GLY 58 -2.807 1.564 -4.864 419 1HA GLY 58 2HA GLY 58 -4.469 0.024 -5.270 420 2HA GLY 58 1HA GLY 58 -3.855 -0.171 -6.893 421 H LYS 59 H LYS 59 -1.409 -0.373 -4.507 422 HA LYS 59 HA LYS 59 -1.750 -3.178 -4.400 423 1HB LYS 59 2HB LYS 59 -0.667 -2.917 -6.541 424 2HB LYS 59 1HB LYS 59 0.529 -1.865 -5.835 425 1HG LYS 59 2HG LYS 59 1.291 -4.165 -6.434 426 2HG LYS 59 1HG LYS 59 1.604 -3.628 -4.787 427 1HD LYS 59 2HD LYS 59 0.818 -6.006 -5.085 428 2HD LYS 59 1HD LYS 59 -0.030 -5.038 -3.894 429 1HE LYS 59 2HE LYS 59 -1.846 -4.690 -5.456 430 2HE LYS 59 1HE LYS 59 -1.009 -5.555 -6.712 431 1HZ LYS 59 1HZ LYS 59 -2.648 -6.978 -5.529 432 2HZ LYS 59 2HZ LYS 59 -1.814 -6.653 -4.070 433 3HZ LYS 59 3HZ LYS 59 -1.066 -7.517 -5.292 434 H ASP 60 H ASP 60 -1.091 -4.101 -2.749 435 HA ASP 60 HA ASP 60 -0.120 -2.921 -0.465 436 1HB ASP 60 2HB ASP 60 0.387 -5.391 0.113 437 2HB ASP 60 1HB ASP 60 -1.289 -4.945 -0.204 438 H ALA 61 H ALA 61 1.677 -1.828 -0.491 439 HA ALA 61 HA ALA 61 4.014 -2.879 -1.915 440 1HB ALA 61 1HB ALA 61 4.775 -0.561 -1.969 441 2HB ALA 61 2HB ALA 61 3.362 -0.075 -1.035 442 3HB ALA 61 3HB ALA 61 3.162 -0.729 -2.658 443 H SER 62 H SER 62 3.151 -3.584 0.855 444 HA SER 62 HA SER 62 4.746 -2.245 2.744 445 1HB SER 62 2HB SER 62 3.751 -5.100 2.832 446 2HB SER 62 1HB SER 62 4.320 -4.156 4.210 447 HG SER 62 HG SER 62 2.352 -2.970 2.666 448 H ARG 63 H ARG 63 5.412 -5.332 1.061 449 HA ARG 63 HA ARG 63 8.090 -5.502 1.978 450 1HB ARG 63 2HB ARG 63 7.087 -7.533 1.188 451 2HB ARG 63 1HB ARG 63 6.683 -6.803 -0.362 452 1HG ARG 63 2HG ARG 63 9.063 -6.651 -0.911 453 2HG ARG 63 1HG ARG 63 9.471 -7.406 0.624 454 1HD ARG 63 2HD ARG 63 8.509 -9.472 -0.055 455 2HD ARG 63 1HD ARG 63 7.722 -8.723 -1.448 456 HE ARG 63 HE ARG 63 10.133 -8.235 -2.162 457 1HH1 ARG 63 1HH1 ARG 63 9.226 -11.221 -0.429 458 2HH1 ARG 63 2HH1 ARG 63 10.403 -12.134 -1.209 459 1HH2 ARG 63 1HH2 ARG 63 11.702 -9.559 -3.231 460 2HH2 ARG 63 2HH2 ARG 63 11.844 -11.211 -2.806 461 H ALA 64 H ALA 64 6.595 -3.705 -0.551 462 HA ALA 64 HA ALA 64 8.786 -3.635 -2.386 463 1HB ALA 64 1HB ALA 64 7.515 -1.896 -3.542 464 2HB ALA 64 2HB ALA 64 6.392 -1.817 -2.181 465 3HB ALA 64 3HB ALA 64 6.492 -3.279 -3.161 466 H LEU 65 H LEU 65 7.623 -1.767 0.199 467 HA LEU 65 HA LEU 65 9.184 0.512 -0.074 468 1HB LEU 65 2HB LEU 65 7.921 -0.881 2.203 469 2HB LEU 65 1HB LEU 65 8.753 0.644 2.391 470 HG LEU 65 HG LEU 65 6.328 0.139 0.665 471 1HD1 LEU 65 1HD1 LEU 65 5.218 1.583 2.266 472 2HD1 LEU 65 2HD1 LEU 65 6.667 1.619 3.273 473 3HD1 LEU 65 3HD1 LEU 65 5.794 0.109 3.014 474 1HD2 LEU 65 1HD2 LEU 65 7.737 1.854 -0.280 475 2HD2 LEU 65 2HD2 LEU 65 7.845 2.588 1.326 476 3HD2 LEU 65 3HD2 LEU 65 6.287 2.562 0.483 477 H GLY 66 H GLY 66 10.024 -2.623 1.271 478 1HA GLY 66 2HA GLY 66 12.532 -1.444 2.189 479 2HA GLY 66 1HA GLY 66 12.000 -3.070 2.568 480 H LYS 67 H LYS 67 11.389 -2.594 -0.569 481 HA LYS 67 HA LYS 67 13.914 -3.869 -1.421 482 1HB LYS 67 2HB LYS 67 11.202 -3.855 -2.771 483 2HB LYS 67 1HB LYS 67 12.608 -4.724 -3.342 484 1HG LYS 67 2HG LYS 67 11.394 -5.298 -0.654 485 2HG LYS 67 1HG LYS 67 10.736 -6.007 -2.111 486 1HD LYS 67 2HD LYS 67 12.229 -7.564 -0.967 487 2HD LYS 67 1HD LYS 67 12.873 -7.123 -2.535 488 1HE LYS 67 2HE LYS 67 14.483 -5.682 -1.504 489 2HE LYS 67 1HE LYS 67 13.777 -5.936 0.100 490 1HZ LYS 67 1HZ LYS 67 15.134 -7.976 -1.605 491 2HZ LYS 67 2HZ LYS 67 14.367 -8.282 -0.129 492 3HZ LYS 67 3HZ LYS 67 15.706 -7.271 -0.162 493 H MET 68 H MET 68 11.446 -1.572 -2.380 494 HA MET 68 HA MET 68 11.423 0.396 -3.348 495 1HB MET 68 2HB MET 68 14.454 0.227 -3.494 496 2HB MET 68 1HB MET 68 13.498 1.675 -3.825 497 1HG MET 68 2HG MET 68 12.672 1.553 -1.464 498 2HG MET 68 1HG MET 68 13.750 0.205 -1.223 499 1HE MET 68 1HE MET 68 14.539 3.446 -3.369 500 2HE MET 68 2HE MET 68 15.261 4.473 -2.129 501 3HE MET 68 3HE MET 68 13.556 4.035 -2.029 502 H SER 69 H SER 69 11.679 -2.252 -4.452 503 HA SER 69 HA SER 69 12.226 -1.903 -7.326 504 1HB SER 69 2HB SER 69 11.437 -4.239 -5.611 505 2HB SER 69 1HB SER 69 11.967 -4.297 -7.286 506 HG SER 69 HG SER 69 13.833 -3.009 -6.026 507 H LYS 70 H LYS 70 10.857 -2.027 -8.782 508 HA LYS 70 HA LYS 70 8.081 -1.444 -8.037 509 1HB LYS 70 2HB LYS 70 9.698 -0.945 -10.503 510 2HB LYS 70 1HB LYS 70 8.032 -0.439 -10.245 511 1HG LYS 70 2HG LYS 70 8.617 1.123 -8.647 512 2HG LYS 70 1HG LYS 70 10.192 0.376 -8.357 513 1HD LYS 70 2HD LYS 70 10.993 1.017 -10.399 514 2HD LYS 70 1HD LYS 70 9.402 1.453 -10.980 515 1HE LYS 70 2HE LYS 70 10.720 3.488 -10.474 516 2HE LYS 70 1HE LYS 70 9.416 3.345 -9.298 517 1HZ LYS 70 1HZ LYS 70 12.250 2.570 -8.892 518 2HZ LYS 70 2HZ LYS 70 11.054 2.393 -7.728 519 3HZ LYS 70 3HZ LYS 70 11.507 3.928 -8.267 520 H ASN 71 H ASN 71 10.023 -3.822 -9.281 521 HA ASN 71 HA ASN 71 8.183 -5.059 -11.051 522 1HB ASN 71 2HB ASN 71 9.619 -7.096 -10.733 523 2HB ASN 71 1HB ASN 71 10.532 -5.666 -11.217 524 1HD2 ASN 71 1HD2 ASN 71 10.000 -8.017 -8.789 525 2HD2 ASN 71 2HD2 ASN 71 11.238 -7.431 -7.713 526 H GLU 72 H GLU 72 6.620 -6.517 -10.670 527 HA GLU 72 HA GLU 72 5.141 -6.037 -8.372 528 1HB GLU 72 2HB GLU 72 4.799 -8.196 -10.417 529 2HB GLU 72 1HB GLU 72 3.600 -7.768 -9.209 530 1HG GLU 72 2HG GLU 72 3.459 -5.519 -10.160 531 2HG GLU 72 1HG GLU 72 4.655 -5.967 -11.375 532 H GLU 73 H GLU 73 7.365 -8.659 -8.968 533 HA GLU 73 HA GLU 73 6.235 -10.298 -6.942 534 1HB GLU 73 2HB GLU 73 8.921 -10.503 -8.281 535 2HB GLU 73 1HB GLU 73 8.258 -11.698 -7.179 536 1HG GLU 73 2HG GLU 73 6.942 -10.821 -9.716 537 2HG GLU 73 1HG GLU 73 7.921 -12.275 -9.570 538 H ASP 74 H ASP 74 8.350 -7.627 -6.773 539 HA ASP 74 HA ASP 74 9.102 -8.398 -4.074 540 1HB ASP 74 2HB ASP 74 10.138 -6.221 -5.878 541 2HB ASP 74 1HB ASP 74 10.418 -6.140 -4.148 542 H VAL 75 H VAL 75 6.531 -7.048 -5.458 543 HA VAL 75 HA VAL 75 6.061 -5.164 -3.264 544 HB VAL 75 HB VAL 75 4.279 -5.623 -5.681 545 1HG1 VAL 75 1HG1 VAL 75 4.581 -3.257 -3.858 546 2HG1 VAL 75 2HG1 VAL 75 3.245 -4.405 -3.864 547 3HG1 VAL 75 3HG1 VAL 75 3.538 -3.349 -5.262 548 1HG2 VAL 75 1HG2 VAL 75 6.515 -3.623 -5.476 549 2HG2 VAL 75 2HG2 VAL 75 5.292 -3.691 -6.754 550 3HG2 VAL 75 3HG2 VAL 75 6.442 -5.029 -6.554 551 H SER 76 H SER 76 4.883 -5.951 -1.560 552 HA SER 76 HA SER 76 2.864 -7.967 -1.863 553 1HB SER 76 2HB SER 76 4.987 -9.241 -2.098 554 2HB SER 76 1HB SER 76 5.519 -8.634 -0.546 555 HG SER 76 HG SER 76 3.481 -10.505 -1.114 556 HA PRO 77 HA PRO 77 1.936 -6.024 2.115 557 1HB PRO 77 2HB PRO 77 0.013 -7.613 3.075 558 2HB PRO 77 1HB PRO 77 -0.259 -6.649 1.622 559 1HG PRO 77 2HG PRO 77 0.308 -9.564 1.888 560 2HG PRO 77 1HG PRO 77 -0.736 -8.726 0.729 561 1HD PRO 77 2HD PRO 77 1.872 -9.631 0.235 562 2HD PRO 77 1HD PRO 77 0.975 -8.455 -0.747 563 H SER 78 H SER 78 3.363 -9.013 1.859 564 HA SER 78 HA SER 78 3.603 -9.531 4.758 565 1HB SER 78 2HB SER 78 3.081 -11.375 2.988 566 2HB SER 78 1HB SER 78 4.748 -11.014 2.478 567 HG SER 78 HG SER 78 4.620 -12.774 3.934 568 H LEU 79 H LEU 79 5.578 -9.868 5.671 569 HA LEU 79 HA LEU 79 7.524 -8.153 4.410 570 1HB LEU 79 2HB LEU 79 7.089 -8.506 7.366 571 2HB LEU 79 1HB LEU 79 8.301 -7.525 6.562 572 HG LEU 79 HG LEU 79 5.349 -7.059 6.657 573 1HD1 LEU 79 1HD1 LEU 79 7.680 -5.403 7.582 574 2HD1 LEU 79 2HD1 LEU 79 6.559 -6.306 8.605 575 3HD1 LEU 79 3HD1 LEU 79 5.983 -4.942 7.648 576 1HD2 LEU 79 1HD2 LEU 79 7.412 -5.634 4.976 577 2HD2 LEU 79 2HD2 LEU 79 5.752 -5.093 5.237 578 3HD2 LEU 79 3HD2 LEU 79 6.062 -6.628 4.408 579 H GLU 80 H GLU 80 8.228 -9.818 3.359 580 HA GLU 80 HA GLU 80 10.145 -11.355 4.768 581 1HB GLU 80 2HB GLU 80 9.384 -13.435 3.636 582 2HB GLU 80 1HB GLU 80 8.209 -12.827 4.769 583 1HG GLU 80 2HG GLU 80 6.798 -13.359 2.961 584 2HG GLU 80 1HG GLU 80 7.276 -11.664 2.754 585 H GLY 81 H GLY 81 11.703 -12.066 3.250 586 1HA GLY 81 2HA GLY 81 12.759 -11.929 1.253 587 2HA GLY 81 1HA GLY 81 11.516 -10.854 0.635 588 H LEU 82 H LEU 82 12.554 -10.306 3.765 589 HA LEU 82 HA LEU 82 14.157 -7.958 3.135 590 1HB LEU 82 2HB LEU 82 11.763 -8.161 4.930 591 2HB LEU 82 1HB LEU 82 12.845 -6.805 4.855 592 HG LEU 82 HG LEU 82 10.995 -7.715 2.637 593 1HD1 LEU 82 1HD1 LEU 82 9.767 -5.659 3.197 594 2HD1 LEU 82 2HD1 LEU 82 10.902 -5.374 4.520 595 3HD1 LEU 82 3HD1 LEU 82 9.826 -6.771 4.573 596 1HD2 LEU 82 1HD2 LEU 82 11.610 -5.645 1.551 597 2HD2 LEU 82 2HD2 LEU 82 13.068 -6.609 1.861 598 3HD2 LEU 82 3HD2 LEU 82 12.655 -5.240 2.905 599 H THR 83 H THR 83 15.867 -8.044 4.480 600 HA THR 83 HA THR 83 15.655 -9.586 6.925 601 HB THR 83 HB THR 83 17.782 -9.756 5.627 602 HG1 THR 83 1HG THR 83 17.854 -10.003 7.893 603 1HG2 THR 83 1HG2 THR 83 17.856 -7.508 4.686 604 2HG2 THR 83 2HG2 THR 83 19.352 -7.838 5.560 605 3HG2 THR 83 3HG2 THR 83 18.105 -6.820 6.288 606 H GLU 84 H GLU 84 16.779 -8.193 8.929 607 HA GLU 84 HA GLU 84 14.817 -6.378 9.705 608 1HB GLU 84 2HB GLU 84 16.301 -7.460 11.322 609 2HB GLU 84 1HB GLU 84 17.659 -6.519 10.729 610 1HG GLU 84 2HG GLU 84 16.605 -4.486 11.516 611 2HG GLU 84 1HG GLU 84 15.195 -5.403 12.043 612 H LYS 85 H LYS 85 17.987 -5.680 8.364 613 HA LYS 85 HA LYS 85 17.823 -2.898 8.472 614 1HB LYS 85 2HB LYS 85 19.936 -4.047 8.125 615 2HB LYS 85 1HB LYS 85 19.384 -4.682 6.593 616 1HG LYS 85 2HG LYS 85 19.391 -1.810 7.014 617 2HG LYS 85 1HG LYS 85 21.002 -2.535 6.724 618 1HD LYS 85 2HD LYS 85 18.523 -2.452 4.957 619 2HD LYS 85 1HD LYS 85 20.043 -1.612 4.656 620 1HE LYS 85 2HE LYS 85 21.164 -3.807 4.404 621 2HE LYS 85 1HE LYS 85 19.617 -4.610 4.645 622 1HZ LYS 85 1HZ LYS 85 18.803 -3.439 2.632 623 2HZ LYS 85 2HZ LYS 85 20.098 -4.459 2.323 624 3HZ LYS 85 3HZ LYS 85 20.348 -2.817 2.402 625 H GLU 86 H GLU 86 16.697 -5.146 6.042 626 HA GLU 86 HA GLU 86 15.988 -3.177 4.132 627 1HB GLU 86 2HB GLU 86 15.295 -5.997 4.592 628 2HB GLU 86 1HB GLU 86 14.568 -5.143 3.257 629 1HG GLU 86 2HG GLU 86 16.920 -4.655 2.460 630 2HG GLU 86 1HG GLU 86 17.518 -5.628 3.796 631 H ILE 87 H ILE 87 14.504 -4.636 6.804 632 HA ILE 87 HA ILE 87 11.872 -3.724 6.144 633 HB ILE 87 HB ILE 87 12.969 -4.538 8.829 634 1HG1 ILE 87 2HG1 ILE 87 11.281 -6.067 6.845 635 2HG1 ILE 87 1HG1 ILE 87 12.954 -6.385 7.257 636 1HG2 ILE 87 1HG2 ILE 87 11.079 -3.065 9.019 637 2HG2 ILE 87 2HG2 ILE 87 10.569 -4.726 9.462 638 3HG2 ILE 87 3HG2 ILE 87 10.206 -4.054 7.848 639 1HD1 ILE 87 1HD1 ILE 87 10.636 -6.555 9.153 640 2HD1 ILE 87 2HD1 ILE 87 12.307 -6.903 9.548 641 3HD1 ILE 87 3HD1 ILE 87 11.435 -7.944 8.402 642 H ASN 88 H ASN 88 14.565 -2.556 8.005 643 HA ASN 88 HA ASN 88 13.483 -0.338 9.271 644 1HB ASN 88 2HB ASN 88 16.174 -0.734 8.039 645 2HB ASN 88 1HB ASN 88 15.723 0.712 8.932 646 1HD2 ASN 88 1HD2 ASN 88 17.788 -1.314 9.509 647 2HD2 ASN 88 2HD2 ASN 88 17.424 -2.014 11.035 648 H THR 89 H THR 89 14.507 -0.729 5.963 649 HA THR 89 HA THR 89 14.353 1.920 5.140 650 HB THR 89 HB THR 89 13.826 -0.631 3.624 651 HG1 THR 89 1HG THR 89 16.143 0.732 4.454 652 1HG2 THR 89 1HG2 THR 89 13.118 1.328 2.476 653 2HG2 THR 89 2HG2 THR 89 14.583 0.664 1.707 654 3HG2 THR 89 3HG2 THR 89 14.681 2.100 2.785 655 H LEU 90 H LEU 90 11.953 -0.673 5.077 656 HA LEU 90 HA LEU 90 9.797 0.872 4.035 657 1HB LEU 90 2HB LEU 90 9.279 -1.206 3.647 658 2HB LEU 90 1HB LEU 90 10.336 -1.844 4.852 659 HG LEU 90 HG LEU 90 8.404 -1.039 6.461 660 1HD1 LEU 90 1HD1 LEU 90 6.862 -1.407 3.967 661 2HD1 LEU 90 2HD1 LEU 90 7.059 0.074 4.909 662 3HD1 LEU 90 3HD1 LEU 90 6.202 -1.305 5.599 663 1HD2 LEU 90 1HD2 LEU 90 7.401 -3.221 6.329 664 2HD2 LEU 90 2HD2 LEU 90 9.189 -3.286 6.233 665 3HD2 LEU 90 3HD2 LEU 90 8.200 -3.464 4.772 666 H ASN 91 H ASN 91 10.816 -0.123 7.197 667 HA ASN 91 HA ASN 91 8.724 0.660 8.835 668 1HB ASN 91 2HB ASN 91 11.096 -0.485 9.206 669 2HB ASN 91 1HB ASN 91 11.567 1.145 9.635 670 1HD2 ASN 91 1HD2 ASN 91 9.834 -1.662 10.492 671 2HD2 ASN 91 2HD2 ASN 91 9.419 -1.242 12.087 672 H ASP 92 H ASP 92 11.453 2.456 7.552 673 HA ASP 92 HA ASP 92 10.883 5.011 8.621 674 1HB ASP 92 2HB ASP 92 13.080 4.471 7.738 675 2HB ASP 92 1HB ASP 92 12.406 4.153 6.149 676 H TRP 93 H TRP 93 10.057 3.423 5.526 677 HA TRP 93 HA TRP 93 8.755 5.533 4.269 678 1HB TRP 93 2HB TRP 93 8.756 2.624 4.051 679 2HB TRP 93 1HB TRP 93 7.555 3.444 3.119 680 HD1 TRP 93 HD TRP 93 10.697 1.913 2.577 681 HE1 TRP 93 1HE TRP 93 12.084 2.947 0.709 682 HE3 TRP 93 3HE TRP 93 8.287 6.408 2.199 683 HZ2 TRP 93 2HZ TRP 93 12.173 5.379 -0.751 684 HZ3 TRP 93 3HZ TRP 93 9.094 8.034 0.542 685 HH2 TRP 93 HH TRP 93 10.999 7.528 -0.903 686 H GLU 94 H GLU 94 7.441 3.081 6.401 687 HA GLU 94 HA GLU 94 4.720 3.554 6.242 688 1HB GLU 94 2HB GLU 94 6.320 3.241 8.781 689 2HB GLU 94 1HB GLU 94 4.597 2.991 8.616 690 1HG GLU 94 2HG GLU 94 4.985 1.122 7.188 691 2HG GLU 94 1HG GLU 94 6.731 1.352 7.270 692 H THR 95 H THR 95 6.933 4.975 8.401 693 HA THR 95 HA THR 95 5.506 6.799 9.813 694 HB THR 95 HB THR 95 8.391 6.956 8.950 695 HG1 THR 95 1HG THR 95 8.374 5.005 9.910 696 1HG2 THR 95 1HG2 THR 95 6.991 7.925 11.455 697 2HG2 THR 95 2HG2 THR 95 7.606 8.953 10.158 698 3HG2 THR 95 3HG2 THR 95 8.725 8.018 11.148 699 H LYS 96 H LYS 96 6.969 7.118 6.600 700 HA LYS 96 HA LYS 96 6.912 10.000 6.595 701 1HB LYS 96 2HB LYS 96 7.401 8.018 4.383 702 2HB LYS 96 1HB LYS 96 7.751 9.742 4.333 703 1HG LYS 96 2HG LYS 96 8.923 7.845 6.289 704 2HG LYS 96 1HG LYS 96 9.748 8.226 4.809 705 1HD LYS 96 2HD LYS 96 9.730 10.641 5.542 706 2HD LYS 96 1HD LYS 96 8.962 10.114 7.042 707 1HE LYS 96 2HE LYS 96 10.879 8.684 7.515 708 2HE LYS 96 1HE LYS 96 11.649 9.235 6.030 709 1HZ LYS 96 1HZ LYS 96 10.904 10.984 8.306 710 2HZ LYS 96 2HZ LYS 96 11.786 11.442 6.915 711 3HZ LYS 96 3HZ LYS 96 12.434 10.345 8.017 712 H PHE 97 H PHE 97 5.293 7.307 5.117 713 HA PHE 97 HA PHE 97 3.505 8.931 3.653 714 1HB PHE 97 2HB PHE 97 3.635 6.004 4.226 715 2HB PHE 97 1HB PHE 97 2.375 6.710 3.248 716 HD1 PHE 97 1HD PHE 97 3.841 8.664 1.626 717 HD2 PHE 97 2HD PHE 97 4.983 4.748 2.821 718 HE1 PHE 97 1HE PHE 97 5.290 8.491 -0.343 719 HE2 PHE 97 2HE PHE 97 6.440 4.576 0.857 720 HZ PHE 97 HZ PHE 97 6.597 6.444 -0.731 721 H GLU 98 H GLU 98 3.396 7.210 6.660 722 HA GLU 98 HA GLU 98 0.703 7.501 7.250 723 1HB GLU 98 2HB GLU 98 3.163 7.021 8.736 724 2HB GLU 98 1HB GLU 98 1.853 7.275 9.788 725 1HG GLU 98 2HG GLU 98 0.734 5.404 8.295 726 2HG GLU 98 1HG GLU 98 2.401 5.094 7.825 727 H ALA 99 H ALA 99 3.140 9.882 7.210 728 HA ALA 99 HA ALA 99 1.596 11.618 8.958 729 1HB ALA 99 1HB ALA 99 3.484 13.149 8.791 730 2HB ALA 99 2HB ALA 99 4.247 12.096 7.601 731 3HB ALA 99 3HB ALA 99 4.028 11.538 9.259 732 H LYS 100 H LYS 100 1.780 10.847 5.592 733 HA LYS 100 HA LYS 100 1.189 13.545 4.740 734 1HB LYS 100 2HB LYS 100 1.857 10.998 3.354 735 2HB LYS 100 1HB LYS 100 1.623 12.568 2.602 736 1HG LYS 100 2HG LYS 100 3.533 13.454 3.687 737 2HG LYS 100 1HG LYS 100 3.696 12.010 4.684 738 1HD LYS 100 2HD LYS 100 5.273 11.947 2.892 739 2HD LYS 100 1HD LYS 100 4.079 10.681 2.702 740 1HE LYS 100 2HE LYS 100 4.445 11.615 0.639 741 2HE LYS 100 1HE LYS 100 2.849 12.083 1.122 742 1HZ LYS 100 1HZ LYS 100 3.691 14.278 1.792 743 2HZ LYS 100 2HZ LYS 100 3.982 13.986 0.164 744 3HZ LYS 100 3HZ LYS 100 5.242 13.852 1.277 745 H TYR 101 H TYR 101 0.234 10.176 4.453 746 HA TYR 101 HA TYR 101 -2.349 10.987 3.344 747 1HB TYR 101 2HB TYR 101 -1.064 8.271 3.291 748 2HB TYR 101 1HB TYR 101 -2.416 8.864 2.340 749 HD1 TYR 101 1HD TYR 101 -1.593 11.270 1.099 750 HD2 TYR 101 2HD TYR 101 0.792 7.858 1.998 751 HE1 TYR 101 1HE TYR 101 0.015 11.922 -0.654 752 HE2 TYR 101 2HE TYR 101 2.374 8.498 0.270 753 HH TYR 101 HH TYR 101 2.508 9.810 -1.679 754 HA PRO 102 HA PRO 102 -4.086 9.357 7.148 755 1HB PRO 102 2HB PRO 102 -6.685 9.399 6.366 756 2HB PRO 102 1HB PRO 102 -5.823 10.876 6.819 757 1HG PRO 102 2HG PRO 102 -6.424 9.777 4.109 758 2HG PRO 102 1HG PRO 102 -6.526 11.447 4.701 759 1HD PRO 102 2HD PRO 102 -4.422 10.538 3.229 760 2HD PRO 102 1HD PRO 102 -4.277 11.802 4.474 761 H VAL 103 H VAL 103 -4.455 7.302 7.728 762 HA VAL 103 HA VAL 103 -4.658 5.477 5.517 763 HB VAL 103 HB VAL 103 -4.058 3.586 6.887 764 1HG1 VAL 103 1HG1 VAL 103 -2.304 5.925 7.454 765 2HG1 VAL 103 2HG1 VAL 103 -2.267 4.862 6.048 766 3HG1 VAL 103 3HG1 VAL 103 -1.844 4.235 7.641 767 1HG2 VAL 103 1HG2 VAL 103 -4.030 5.402 9.301 768 2HG2 VAL 103 2HG2 VAL 103 -3.439 3.731 9.180 769 3HG2 VAL 103 3HG2 VAL 103 -5.163 4.056 8.991 770 H VAL 104 H VAL 104 -6.327 4.869 4.729 771 HA VAL 104 HA VAL 104 -8.659 4.596 6.404 772 HB VAL 104 HB VAL 104 -10.083 5.242 4.421 773 1HG1 VAL 104 1HG1 VAL 104 -8.116 7.313 5.398 774 2HG1 VAL 104 2HG1 VAL 104 -9.608 6.834 6.207 775 3HG1 VAL 104 3HG1 VAL 104 -9.675 7.657 4.649 776 1HG2 VAL 104 1HG2 VAL 104 -8.444 4.802 2.663 777 2HG2 VAL 104 2HG2 VAL 104 -7.420 6.106 3.261 778 3HG2 VAL 104 3HG2 VAL 104 -9.009 6.471 2.574 779 H GLY 105 H GLY 105 -7.647 2.342 6.496 780 1HA GLY 105 2HA GLY 105 -9.458 0.628 5.745 781 2HA GLY 105 1HA GLY 105 -8.592 0.776 4.241 782 H ARG 106 H ARG 106 -8.669 -1.497 4.851 783 HA ARG 106 HA ARG 106 -6.164 -2.375 6.097 784 1HB ARG 106 2HB ARG 106 -7.809 -2.761 7.802 785 2HB ARG 106 1HB ARG 106 -8.940 -3.257 6.544 786 1HG ARG 106 2HG ARG 106 -8.182 -5.174 7.919 787 2HG ARG 106 1HG ARG 106 -7.796 -5.331 6.214 788 1HD ARG 106 2HD ARG 106 -5.952 -6.046 7.647 789 2HD ARG 106 1HD ARG 106 -5.509 -4.667 6.638 790 HE ARG 106 HE ARG 106 -6.546 -3.772 8.998 791 1HH1 ARG 106 1HH1 ARG 106 -3.650 -5.536 7.845 792 2HH1 ARG 106 2HH1 ARG 106 -2.612 -4.930 9.041 793 1HH2 ARG 106 1HH2 ARG 106 -5.011 -2.943 10.697 794 2HH2 ARG 106 2HH2 ARG 106 -3.393 -3.451 10.687 795 H VAL 107 H VAL 107 -5.199 -3.636 4.632 796 HA VAL 107 HA VAL 107 -6.878 -4.885 2.590 797 HB VAL 107 HB VAL 107 -4.837 -3.586 1.854 798 1HG1 VAL 107 1HG1 VAL 107 -3.490 -4.094 3.672 799 2HG1 VAL 107 2HG1 VAL 107 -2.652 -4.601 2.163 800 3HG1 VAL 107 3HG1 VAL 107 -3.445 -5.798 3.228 801 1HG2 VAL 107 1HG2 VAL 107 -4.019 -5.251 0.264 802 2HG2 VAL 107 2HG2 VAL 107 -5.782 -5.310 0.404 803 3HG2 VAL 107 3HG2 VAL 107 -4.784 -6.521 1.215 804 H VAL 108 H VAL 108 -7.061 -7.053 2.492 805 HA VAL 108 HA VAL 108 -5.664 -8.607 4.534 806 HB VAL 108 HB VAL 108 -7.679 -9.898 4.927 807 1HG1 VAL 108 1HG1 VAL 108 -8.193 -6.995 4.886 808 2HG1 VAL 108 2HG1 VAL 108 -7.345 -7.852 6.186 809 3HG1 VAL 108 3HG1 VAL 108 -9.099 -8.117 5.902 810 1HG2 VAL 108 1HG2 VAL 108 -8.698 -9.784 2.684 811 2HG2 VAL 108 2HG2 VAL 108 -9.046 -8.066 2.963 812 3HG2 VAL 108 3HG2 VAL 108 -9.837 -9.287 3.946 813 H SER 109 H SER 109 -5.061 -10.702 3.885 814 HA SER 109 HA SER 109 -5.857 -11.417 1.205 815 1HB SER 109 2HB SER 109 -3.514 -11.677 0.468 816 2HB SER 109 1HB SER 109 -3.918 -10.028 1.011 817 HG SER 109 HG SER 109 -2.854 -11.872 2.786 Start of MODEL 8 1 1H MET 1 1HT MET 1 -16.448 -9.531 4.079 2 2H MET 1 2HT MET 1 -15.390 -10.088 5.265 3 3H MET 1 3HT MET 1 -15.207 -8.517 4.652 4 HA MET 1 HA MET 1 -17.457 -9.516 6.287 5 1HB MET 1 2HB MET 1 -15.415 -9.161 7.578 6 2HB MET 1 1HB MET 1 -15.215 -7.566 6.869 7 1HG MET 1 2HG MET 1 -17.340 -6.879 7.963 8 2HG MET 1 1HG MET 1 -17.400 -8.453 8.750 9 1HE MET 1 1HE MET 1 -16.414 -6.068 11.709 10 2HE MET 1 2HE MET 1 -17.537 -7.306 11.156 11 3HE MET 1 3HE MET 1 -17.521 -5.718 10.381 12 H GLY 2 H GLY 2 -19.304 -8.552 5.674 13 1HA GLY 2 2HA GLY 2 -19.232 -6.002 4.298 14 2HA GLY 2 1HA GLY 2 -20.640 -7.023 4.577 15 H HIS 3 H HIS 3 -19.543 -4.126 5.313 16 HA HIS 3 HA HIS 3 -21.087 -4.026 7.727 17 1HB HIS 3 2HB HIS 3 -19.328 -3.004 9.156 18 2HB HIS 3 1HB HIS 3 -18.984 -4.671 8.734 19 HD1 HIS 3 1HD HIS 3 -17.595 -1.291 8.664 20 HD2 HIS 3 2HD HIS 3 -16.847 -4.926 6.813 21 HE1 HIS 3 1HE HIS 3 -15.284 -1.102 7.732 22 HE2 HIS 3 2HE HIS 3 -14.779 -3.501 7.199 23 H HIS 4 H HIS 4 -20.995 -2.882 5.028 24 HA HIS 4 HA HIS 4 -21.760 -1.081 4.004 25 1HB HIS 4 2HB HIS 4 -22.166 0.103 6.755 26 2HB HIS 4 1HB HIS 4 -22.802 0.767 5.257 27 HD1 HIS 4 1HD HIS 4 -24.946 -0.216 4.393 28 HD2 HIS 4 2HD HIS 4 -23.384 -2.352 7.574 29 HE1 HIS 4 1HE HIS 4 -26.747 -1.835 5.065 30 HE2 HIS 4 2HE HIS 4 -25.874 -2.778 7.235 31 H HIS 5 H HIS 5 -20.534 0.144 2.789 32 HA HIS 5 HA HIS 5 -18.323 1.549 4.069 33 1HB HIS 5 2HB HIS 5 -18.746 0.952 1.137 34 2HB HIS 5 1HB HIS 5 -17.416 1.895 1.780 35 HD1 HIS 5 1HD HIS 5 -15.453 0.662 2.658 36 HD2 HIS 5 2HD HIS 5 -18.612 -1.832 1.713 37 HE1 HIS 5 1HE HIS 5 -14.507 -1.694 2.717 38 HE2 HIS 5 2HE HIS 5 -16.415 -3.160 1.988 39 H HIS 6 H HIS 6 -19.734 3.095 4.911 40 HA HIS 6 HA HIS 6 -19.907 5.395 3.113 41 1HB HIS 6 2HB HIS 6 -22.215 4.609 4.937 42 2HB HIS 6 1HB HIS 6 -22.093 6.132 4.093 43 HD1 HIS 6 1HD HIS 6 -23.646 2.914 3.811 44 HD2 HIS 6 2HD HIS 6 -22.074 5.665 1.116 45 HE1 HIS 6 1HE HIS 6 -24.635 2.338 1.616 46 HE2 HIS 6 2HE HIS 6 -23.442 3.794 -0.024 47 H HIS 7 H HIS 7 -18.158 6.246 4.128 48 HA HIS 7 HA HIS 7 -16.916 7.299 5.621 49 1HB HIS 7 2HB HIS 7 -19.561 7.862 6.946 50 2HB HIS 7 1HB HIS 7 -18.047 8.442 7.633 51 HD1 HIS 7 1HD HIS 7 -20.559 9.248 5.061 52 HD2 HIS 7 2HD HIS 7 -16.616 10.254 5.901 53 HE1 HIS 7 1HE HIS 7 -20.076 11.271 3.684 54 HE2 HIS 7 2HE HIS 7 -17.583 11.594 3.963 55 H HIS 8 H HIS 8 -18.134 4.479 6.259 56 HA HIS 8 HA HIS 8 -16.744 4.080 8.796 57 1HB HIS 8 2HB HIS 8 -18.187 2.144 6.945 58 2HB HIS 8 1HB HIS 8 -17.309 1.631 8.374 59 HD1 HIS 8 1HD HIS 8 -18.706 1.410 10.410 60 HD2 HIS 8 2HD HIS 8 -20.412 3.997 7.649 61 HE1 HIS 8 1HE HIS 8 -20.922 2.052 11.374 62 HE2 HIS 8 2HE HIS 8 -22.049 3.229 9.482 63 H LEU 9 H LEU 9 -14.858 2.603 8.832 64 HA LEU 9 HA LEU 9 -13.297 3.310 6.638 65 1HB LEU 9 2HB LEU 9 -11.424 2.052 7.637 66 2HB LEU 9 1HB LEU 9 -12.111 3.313 8.617 67 HG LEU 9 HG LEU 9 -13.190 1.609 10.043 68 1HD1 LEU 9 1HD1 LEU 9 -11.673 -0.385 8.340 69 2HD1 LEU 9 2HD1 LEU 9 -13.426 -0.195 8.358 70 3HD1 LEU 9 3HD1 LEU 9 -12.584 -0.743 9.809 71 1HD2 LEU 9 1HD2 LEU 9 -11.082 0.815 11.007 72 2HD2 LEU 9 2HD2 LEU 9 -11.057 2.531 10.522 73 3HD2 LEU 9 3HD2 LEU 9 -10.298 1.319 9.494 74 H GLU 10 H GLU 10 -11.840 1.947 5.521 75 HA GLU 10 HA GLU 10 -13.580 0.327 3.891 76 1HB GLU 10 2HB GLU 10 -10.837 1.386 3.443 77 2HB GLU 10 1HB GLU 10 -11.880 0.627 2.249 78 1HG GLU 10 2HG GLU 10 -12.569 3.024 3.811 79 2HG GLU 10 1HG GLU 10 -11.784 3.076 2.213 80 H GLU 11 H GLU 11 -13.577 -1.774 4.378 81 HA GLU 11 HA GLU 11 -11.093 -3.100 4.795 82 1HB GLU 11 2HB GLU 11 -12.889 -4.096 5.990 83 2HB GLU 11 1HB GLU 11 -13.909 -4.138 4.550 84 1HG GLU 11 2HG GLU 11 -12.560 -5.678 3.496 85 2HG GLU 11 1HG GLU 11 -11.286 -5.657 4.657 86 H PHE 12 H PHE 12 -9.913 -3.340 3.152 87 HA PHE 12 HA PHE 12 -11.141 -3.890 0.606 88 1HB PHE 12 2HB PHE 12 -8.414 -3.083 1.450 89 2HB PHE 12 1HB PHE 12 -8.861 -3.729 -0.131 90 HD1 PHE 12 1HD PHE 12 -10.406 -2.379 -1.576 91 HD2 PHE 12 2HD PHE 12 -8.871 -0.847 2.080 92 HE1 PHE 12 1HE PHE 12 -11.061 -0.114 -2.248 93 HE2 PHE 12 2HE PHE 12 -9.521 1.409 1.409 94 HZ PHE 12 HZ PHE 12 -10.619 1.783 -0.750 95 H THR 13 H THR 13 -10.508 -5.721 -0.463 96 HA THR 13 HA THR 13 -8.937 -7.551 1.146 97 HB THR 13 HB THR 13 -10.792 -8.405 -1.093 98 HG1 THR 13 1HG THR 13 -11.327 -7.437 1.438 99 1HG2 THR 13 1HG2 THR 13 -9.776 -9.689 1.416 100 2HG2 THR 13 2HG2 THR 13 -9.095 -9.948 -0.175 101 3HG2 THR 13 3HG2 THR 13 -10.750 -10.516 0.185 102 H ALA 14 H ALA 14 -7.402 -8.753 -0.070 103 HA ALA 14 HA ALA 14 -5.798 -6.857 -1.405 104 1HB ALA 14 1HB ALA 14 -4.049 -8.433 -1.540 105 2HB ALA 14 2HB ALA 14 -5.169 -9.786 -1.274 106 3HB ALA 14 3HB ALA 14 -4.882 -8.589 0.002 107 H GLU 15 H GLU 15 -7.319 -9.681 -2.987 108 HA GLU 15 HA GLU 15 -6.220 -9.038 -5.530 109 1HB GLU 15 2HB GLU 15 -8.575 -10.752 -4.762 110 2HB GLU 15 1HB GLU 15 -8.158 -10.435 -6.432 111 1HG GLU 15 2HG GLU 15 -6.315 -11.672 -4.419 112 2HG GLU 15 1HG GLU 15 -7.286 -12.569 -5.593 113 H GLN 16 H GLN 16 -9.019 -8.032 -3.862 114 HA GLN 16 HA GLN 16 -10.259 -6.764 -6.036 115 1HB GLN 16 2HB GLN 16 -10.593 -6.637 -3.096 116 2HB GLN 16 1HB GLN 16 -11.559 -5.628 -4.160 117 1HG GLN 16 2HG GLN 16 -12.533 -7.490 -5.209 118 2HG GLN 16 1HG GLN 16 -11.334 -8.582 -4.508 119 1HE2 GLN 16 1HE2 GLN 16 -11.493 -9.191 -2.535 120 2HE2 GLN 16 2HE2 GLN 16 -12.839 -8.985 -1.514 121 H LEU 17 H LEU 17 -7.982 -5.805 -3.562 122 HA LEU 17 HA LEU 17 -8.063 -3.010 -3.868 123 1HB LEU 17 2HB LEU 17 -6.989 -4.179 -1.975 124 2HB LEU 17 1HB LEU 17 -5.720 -4.717 -3.059 125 HG LEU 17 HG LEU 17 -5.271 -2.267 -3.525 126 1HD1 LEU 17 1HD1 LEU 17 -7.299 -1.326 -2.705 127 2HD1 LEU 17 2HD1 LEU 17 -5.905 -0.707 -1.783 128 3HD1 LEU 17 3HD1 LEU 17 -6.942 -1.964 -1.093 129 1HD2 LEU 17 1HD2 LEU 17 -3.797 -3.593 -2.203 130 2HD2 LEU 17 2HD2 LEU 17 -4.787 -3.293 -0.750 131 3HD2 LEU 17 3HD2 LEU 17 -3.943 -1.951 -1.557 132 H SER 18 H SER 18 -6.620 -5.522 -5.719 133 HA SER 18 HA SER 18 -4.403 -4.263 -6.850 134 1HB SER 18 2HB SER 18 -6.095 -6.472 -8.022 135 2HB SER 18 1HB SER 18 -4.442 -6.073 -8.494 136 HG SER 18 HG SER 18 -4.804 -6.517 -5.770 137 H GLN 19 H GLN 19 -7.540 -3.426 -7.329 138 HA GLN 19 HA GLN 19 -7.060 -2.497 -10.074 139 1HB GLN 19 2HB GLN 19 -9.665 -3.104 -8.698 140 2HB GLN 19 1HB GLN 19 -9.591 -2.173 -10.184 141 1HG GLN 19 2HG GLN 19 -10.138 -4.416 -10.660 142 2HG GLN 19 1HG GLN 19 -8.535 -4.098 -11.319 143 1HE2 GLN 19 1HE2 GLN 19 -9.380 -4.876 -7.958 144 2HE2 GLN 19 2HE2 GLN 19 -8.558 -6.392 -7.930 145 H TYR 20 H TYR 20 -7.063 -1.448 -7.049 146 HA TYR 20 HA TYR 20 -8.130 1.210 -7.567 147 1HB TYR 20 2HB TYR 20 -7.088 -0.141 -5.090 148 2HB TYR 20 1HB TYR 20 -7.488 1.572 -5.114 149 HD1 TYR 20 1HD TYR 20 -9.797 2.291 -5.347 150 HD2 TYR 20 2HD TYR 20 -8.842 -1.835 -5.196 151 HE1 TYR 20 1HE TYR 20 -12.156 1.782 -4.929 152 HE2 TYR 20 2HE TYR 20 -11.204 -2.374 -4.766 153 HH TYR 20 HH TYR 20 -13.191 -1.290 -3.902 154 H ASN 21 H ASN 21 -5.908 0.486 -9.078 155 HA ASN 21 HA ASN 21 -3.681 1.992 -7.984 156 1HB ASN 21 2HB ASN 21 -2.448 1.314 -10.040 157 2HB ASN 21 1HB ASN 21 -3.044 -0.028 -9.089 158 1HD2 ASN 21 1HD2 ASN 21 -2.907 -1.377 -10.836 159 2HD2 ASN 21 2HD2 ASN 21 -4.038 -1.371 -12.125 160 H GLY 22 H GLY 22 -6.380 2.625 -9.737 161 1HA GLY 22 2HA GLY 22 -7.192 4.630 -10.508 162 2HA GLY 22 1HA GLY 22 -5.666 5.365 -10.056 163 H THR 23 H THR 23 -5.366 2.740 -12.297 164 HA THR 23 HA THR 23 -4.699 4.724 -14.305 165 HB THR 23 HB THR 23 -3.271 2.731 -13.908 166 HG1 THR 23 1HG THR 23 -2.759 2.512 -16.059 167 1HG2 THR 23 1HG2 THR 23 -5.481 1.230 -15.321 168 2HG2 THR 23 2HG2 THR 23 -4.966 1.002 -13.651 169 3HG2 THR 23 3HG2 THR 23 -3.882 0.573 -14.973 170 H ASP 24 H ASP 24 -7.308 2.799 -13.489 171 HA ASP 24 HA ASP 24 -8.432 2.844 -16.143 172 1HB ASP 24 2HB ASP 24 -8.550 0.705 -14.874 173 2HB ASP 24 1HB ASP 24 -9.361 1.560 -13.612 174 H GLU 25 H GLU 25 -9.425 4.946 -16.434 175 HA GLU 25 HA GLU 25 -10.824 6.717 -16.166 176 1HB GLU 25 2HB GLU 25 -12.294 4.855 -14.284 177 2HB GLU 25 1HB GLU 25 -12.894 6.417 -14.799 178 1HG GLU 25 2HG GLU 25 -12.947 5.596 -17.119 179 2HG GLU 25 1HG GLU 25 -12.396 4.022 -16.538 180 H SER 26 H SER 26 -8.648 6.048 -14.228 181 HA SER 26 HA SER 26 -7.756 6.569 -12.280 182 1HB SER 26 2HB SER 26 -7.765 8.784 -13.333 183 2HB SER 26 1HB SER 26 -9.374 9.085 -12.675 184 HG SER 26 HG SER 26 -6.970 8.638 -11.254 185 H LYS 27 H LYS 27 -9.236 4.742 -11.617 186 HA LYS 27 HA LYS 27 -11.401 5.331 -9.877 187 1HB LYS 27 2HB LYS 27 -9.662 2.813 -9.895 188 2HB LYS 27 1HB LYS 27 -11.223 2.959 -9.098 189 1HG LYS 27 2HG LYS 27 -11.984 3.468 -11.686 190 2HG LYS 27 1HG LYS 27 -10.504 2.637 -11.936 191 1HD LYS 27 2HD LYS 27 -12.662 1.445 -10.232 192 2HD LYS 27 1HD LYS 27 -12.535 1.192 -11.959 193 1HE LYS 27 2HE LYS 27 -10.386 0.509 -9.956 194 2HE LYS 27 1HE LYS 27 -11.554 -0.637 -10.601 195 1HZ LYS 27 1HZ LYS 27 -10.665 -0.039 -12.856 196 2HZ LYS 27 2HZ LYS 27 -9.647 -0.894 -11.866 197 3HZ LYS 27 3HZ LYS 27 -9.366 0.735 -12.084 198 HA PRO 28 HA PRO 28 -9.601 6.719 -6.044 199 1HB PRO 28 2HB PRO 28 -10.670 4.157 -4.920 200 2HB PRO 28 1HB PRO 28 -10.745 5.786 -4.228 201 1HG PRO 28 2HG PRO 28 -12.859 4.775 -5.416 202 2HG PRO 28 1HG PRO 28 -12.411 6.463 -5.710 203 1HD PRO 28 2HD PRO 28 -12.132 4.097 -7.491 204 2HD PRO 28 1HD PRO 28 -12.411 5.800 -7.915 205 H ILE 29 H ILE 29 -7.629 6.498 -5.078 206 HA ILE 29 HA ILE 29 -6.077 4.186 -6.014 207 HB ILE 29 HB ILE 29 -5.022 6.919 -5.269 208 1HG1 ILE 29 2HG1 ILE 29 -5.628 5.869 -8.042 209 2HG1 ILE 29 1HG1 ILE 29 -6.642 7.033 -7.211 210 1HG2 ILE 29 1HG2 ILE 29 -3.070 6.148 -6.555 211 2HG2 ILE 29 2HG2 ILE 29 -3.916 4.654 -6.938 212 3HG2 ILE 29 3HG2 ILE 29 -3.438 4.979 -5.277 213 1HD1 ILE 29 1HD1 ILE 29 -5.174 7.983 -8.815 214 2HD1 ILE 29 2HD1 ILE 29 -3.773 7.471 -7.830 215 3HD1 ILE 29 3HD1 ILE 29 -4.941 8.627 -7.194 216 H TYR 30 H TYR 30 -5.433 2.869 -4.449 217 HA TYR 30 HA TYR 30 -4.902 3.954 -1.748 218 1HB TYR 30 2HB TYR 30 -6.434 1.437 -2.356 219 2HB TYR 30 1HB TYR 30 -5.964 2.023 -0.768 220 HD1 TYR 30 1HD TYR 30 -6.934 4.301 -0.031 221 HD2 TYR 30 2HD TYR 30 -8.459 2.034 -3.278 222 HE1 TYR 30 1HE TYR 30 -9.074 5.524 0.114 223 HE2 TYR 30 2HE TYR 30 -10.576 3.240 -3.134 224 HH TYR 30 HH TYR 30 -10.920 6.054 -1.302 225 H VAL 31 H VAL 31 -3.243 3.335 -0.783 226 HA VAL 31 HA VAL 31 -1.730 1.074 -1.893 227 HB VAL 31 HB VAL 31 0.275 2.076 -0.870 228 1HG1 VAL 31 1HG1 VAL 31 -0.122 2.605 -3.192 229 2HG1 VAL 31 2HG1 VAL 31 0.648 3.945 -2.380 230 3HG1 VAL 31 3HG1 VAL 31 -1.096 4.006 -2.732 231 1HG2 VAL 31 1HG2 VAL 31 -0.744 3.276 0.928 232 2HG2 VAL 31 2HG2 VAL 31 -1.510 4.388 -0.214 233 3HG2 VAL 31 3HG2 VAL 31 0.251 4.381 -0.028 234 H ALA 32 H ALA 32 -0.622 -0.195 -0.196 235 HA ALA 32 HA ALA 32 -1.775 0.237 2.435 236 1HB ALA 32 1HB ALA 32 -1.708 -2.452 1.066 237 2HB ALA 32 2HB ALA 32 -3.140 -1.461 1.307 238 3HB ALA 32 3HB ALA 32 -2.281 -2.116 2.701 239 H ILE 33 H ILE 33 -0.461 -0.125 4.061 240 HA ILE 33 HA ILE 33 2.111 -1.471 3.569 241 HB ILE 33 HB ILE 33 1.799 1.049 5.280 242 1HG1 ILE 33 2HG1 ILE 33 3.047 0.796 2.547 243 2HG1 ILE 33 1HG1 ILE 33 1.547 1.637 2.888 244 1HG2 ILE 33 1HG2 ILE 33 4.262 1.096 5.198 245 2HG2 ILE 33 2HG2 ILE 33 4.268 -0.459 4.395 246 3HG2 ILE 33 3HG2 ILE 33 3.646 -0.320 6.052 247 1HD1 ILE 33 1HD1 ILE 33 2.781 3.215 4.320 248 2HD1 ILE 33 2HD1 ILE 33 3.396 3.199 2.660 249 3HD1 ILE 33 3HD1 ILE 33 4.266 2.345 3.935 250 H LYS 34 H LYS 34 2.067 -3.211 4.871 251 HA LYS 34 HA LYS 34 1.584 -4.631 6.464 252 1HB LYS 34 2HB LYS 34 2.062 -2.162 7.992 253 2HB LYS 34 1HB LYS 34 1.174 -3.404 8.865 254 1HG LYS 34 2HG LYS 34 3.840 -3.805 7.513 255 2HG LYS 34 1HG LYS 34 3.596 -3.546 9.247 256 1HD LYS 34 2HD LYS 34 2.187 -5.555 9.355 257 2HD LYS 34 1HD LYS 34 2.435 -5.844 7.642 258 1HE LYS 34 2HE LYS 34 4.819 -6.118 8.047 259 2HE LYS 34 1HE LYS 34 4.559 -5.845 9.772 260 1HZ LYS 34 1HZ LYS 34 4.644 -8.216 9.308 261 2HZ LYS 34 2HZ LYS 34 3.435 -8.106 8.170 262 3HZ LYS 34 3HZ LYS 34 3.087 -7.820 9.778 263 H GLY 35 H GLY 35 -0.512 -3.660 4.901 264 1HA GLY 35 2HA GLY 35 -2.630 -4.377 4.740 265 2HA GLY 35 1HA GLY 35 -2.692 -4.792 6.421 266 H ARG 36 H ARG 36 -1.503 -1.689 6.206 267 HA ARG 36 HA ARG 36 -4.140 -0.652 6.832 268 1HB ARG 36 2HB ARG 36 -1.428 0.644 7.126 269 2HB ARG 36 1HB ARG 36 -2.955 1.282 7.724 270 1HG ARG 36 2HG ARG 36 -3.142 -0.782 9.146 271 2HG ARG 36 1HG ARG 36 -1.492 -1.160 8.623 272 1HD ARG 36 2HD ARG 36 -2.329 1.364 10.039 273 2HD ARG 36 1HD ARG 36 -1.592 -0.025 10.823 274 HE ARG 36 HE ARG 36 0.153 0.664 8.845 275 1HH1 ARG 36 1HH1 ARG 36 -1.350 2.424 11.537 276 2HH1 ARG 36 2HH1 ARG 36 0.024 3.372 11.861 277 1HH2 ARG 36 1HH2 ARG 36 2.021 1.971 9.313 278 2HH2 ARG 36 2HH2 ARG 36 1.956 3.144 10.559 279 H VAL 37 H VAL 37 -5.204 0.400 5.358 280 HA VAL 37 HA VAL 37 -3.831 1.016 2.890 281 HB VAL 37 HB VAL 37 -6.791 0.923 3.544 282 1HG1 VAL 37 1HG1 VAL 37 -7.120 1.191 1.123 283 2HG1 VAL 37 2HG1 VAL 37 -5.370 1.409 0.950 284 3HG1 VAL 37 3HG1 VAL 37 -6.321 2.601 1.833 285 1HG2 VAL 37 1HG2 VAL 37 -5.702 -1.251 3.452 286 2HG2 VAL 37 2HG2 VAL 37 -5.032 -0.852 1.868 287 3HG2 VAL 37 3HG2 VAL 37 -6.772 -1.022 2.069 288 H PHE 38 H PHE 38 -3.247 2.901 2.372 289 HA PHE 38 HA PHE 38 -4.254 5.238 3.847 290 1HB PHE 38 2HB PHE 38 -1.742 4.794 2.279 291 2HB PHE 38 1HB PHE 38 -2.166 6.338 3.011 292 HD1 PHE 38 1HD PHE 38 -1.811 6.697 5.353 293 HD2 PHE 38 2HD PHE 38 -1.078 2.849 3.679 294 HE1 PHE 38 1HE PHE 38 -0.638 6.015 7.405 295 HE2 PHE 38 2HE PHE 38 0.087 2.177 5.734 296 HZ PHE 38 HZ PHE 38 0.313 3.757 7.588 297 H ASP 39 H ASP 39 -5.172 6.878 2.686 298 HA ASP 39 HA ASP 39 -5.862 6.317 -0.068 299 1HB ASP 39 2HB ASP 39 -7.604 7.303 1.293 300 2HB ASP 39 1HB ASP 39 -6.582 8.691 1.666 301 H VAL 40 H VAL 40 -4.515 6.711 -1.604 302 HA VAL 40 HA VAL 40 -2.927 9.162 -1.427 303 HB VAL 40 HB VAL 40 -1.435 8.155 -3.182 304 1HG1 VAL 40 1HG1 VAL 40 -1.653 6.614 -0.601 305 2HG1 VAL 40 2HG1 VAL 40 -0.778 8.133 -0.865 306 3HG1 VAL 40 3HG1 VAL 40 -0.253 6.661 -1.682 307 1HG2 VAL 40 1HG2 VAL 40 -2.936 5.627 -2.537 308 2HG2 VAL 40 2HG2 VAL 40 -1.510 5.775 -3.587 309 3HG2 VAL 40 3HG2 VAL 40 -3.027 6.541 -4.039 310 H THR 41 H THR 41 -5.737 8.433 -2.462 311 HA THR 41 HA THR 41 -5.798 9.028 -5.209 312 HB THR 41 HB THR 41 -7.928 9.729 -3.150 313 HG1 THR 41 1HG THR 41 -7.893 7.684 -2.779 314 1HG2 THR 41 1HG2 THR 41 -9.471 9.334 -5.011 315 2HG2 THR 41 2HG2 THR 41 -8.109 8.928 -6.057 316 3HG2 THR 41 3HG2 THR 41 -8.283 10.570 -5.435 317 H THR 42 H THR 42 -5.573 10.914 -2.303 318 HA THR 42 HA THR 42 -6.014 13.458 -3.436 319 HB THR 42 HB THR 42 -6.300 13.074 -1.043 320 HG1 THR 42 1HG THR 42 -5.497 15.167 -1.890 321 1HG2 THR 42 1HG2 THR 42 -4.560 11.404 -0.670 322 2HG2 THR 42 2HG2 THR 42 -4.377 12.745 0.462 323 3HG2 THR 42 3HG2 THR 42 -3.316 12.624 -0.942 324 H GLY 43 H GLY 43 -3.249 11.350 -3.380 325 1HA GLY 43 2HA GLY 43 -1.538 13.508 -4.448 326 2HA GLY 43 1HA GLY 43 -0.928 12.071 -3.620 327 H LYS 44 H LYS 44 -3.456 12.387 -6.048 328 HA LYS 44 HA LYS 44 -2.979 10.054 -7.341 329 1HB LYS 44 2HB LYS 44 -5.019 11.287 -7.274 330 2HB LYS 44 1HB LYS 44 -4.302 12.582 -8.218 331 1HG LYS 44 2HG LYS 44 -4.035 11.045 -10.098 332 2HG LYS 44 1HG LYS 44 -4.696 9.772 -9.112 333 1HD LYS 44 2HD LYS 44 -6.176 12.277 -9.875 334 2HD LYS 44 1HD LYS 44 -6.272 10.659 -10.599 335 1HE LYS 44 2HE LYS 44 -7.063 9.718 -8.496 336 2HE LYS 44 1HE LYS 44 -6.944 11.298 -7.727 337 1HZ LYS 44 1HZ LYS 44 -8.713 10.609 -9.985 338 2HZ LYS 44 2HZ LYS 44 -8.616 12.123 -9.225 339 3HZ LYS 44 3HZ LYS 44 -9.191 10.778 -8.373 340 H SER 45 H SER 45 -1.572 13.212 -7.896 341 HA SER 45 HA SER 45 -0.745 12.818 -10.542 342 1HB SER 45 2HB SER 45 0.766 14.749 -10.088 343 2HB SER 45 1HB SER 45 -0.901 15.030 -9.587 344 HG SER 45 HG SER 45 -0.329 15.053 -7.576 345 H PHE 46 H PHE 46 0.509 11.630 -7.584 346 HA PHE 46 HA PHE 46 3.106 10.981 -8.760 347 1HB PHE 46 2HB PHE 46 2.064 10.549 -5.949 348 2HB PHE 46 1HB PHE 46 3.691 10.180 -6.499 349 HD1 PHE 46 1HD PHE 46 5.276 11.978 -6.970 350 HD2 PHE 46 2HD PHE 46 1.373 12.795 -5.488 351 HE1 PHE 46 1HE PHE 46 5.990 14.252 -6.353 352 HE2 PHE 46 2HE PHE 46 2.076 15.071 -4.872 353 HZ PHE 46 HZ PHE 46 4.391 15.801 -5.306 354 H TYR 47 H TYR 47 0.280 9.418 -7.305 355 HA TYR 47 HA TYR 47 1.395 6.817 -7.880 356 1HB TYR 47 2HB TYR 47 -1.086 7.597 -6.345 357 2HB TYR 47 1HB TYR 47 -0.491 5.949 -6.521 358 HD1 TYR 47 1HD TYR 47 0.273 9.265 -5.090 359 HD2 TYR 47 2HD TYR 47 1.344 5.154 -5.207 360 HE1 TYR 47 1HE TYR 47 1.783 9.617 -3.188 361 HE2 TYR 47 2HE TYR 47 2.858 5.493 -3.299 362 HH TYR 47 HH TYR 47 4.084 7.295 -2.255 363 H GLY 48 H GLY 48 -2.000 7.952 -8.304 364 1HA GLY 48 2HA GLY 48 -2.258 5.977 -10.419 365 2HA GLY 48 1HA GLY 48 -3.558 6.833 -9.656 366 H SER 49 H SER 49 -0.745 7.542 -11.544 367 HA SER 49 HA SER 49 -2.370 9.082 -13.435 368 1HB SER 49 2HB SER 49 -1.470 10.655 -11.678 369 2HB SER 49 1HB SER 49 0.152 10.139 -12.108 370 HG SER 49 HG SER 49 0.100 11.584 -13.564 371 H GLY 50 H GLY 50 -0.774 6.484 -13.143 372 1HA GLY 50 2HA GLY 50 0.651 5.213 -14.387 373 2HA GLY 50 1HA GLY 50 0.596 6.474 -15.619 374 H GLY 51 H GLY 51 1.514 7.009 -12.319 375 1HA GLY 51 2HA GLY 51 3.995 8.188 -13.232 376 2HA GLY 51 1HA GLY 51 3.305 8.303 -11.620 377 H ASP 52 H ASP 52 5.675 7.953 -11.281 378 HA ASP 52 HA ASP 52 6.813 5.380 -11.686 379 1HB ASP 52 2HB ASP 52 8.154 7.429 -11.518 380 2HB ASP 52 1HB ASP 52 7.610 7.656 -9.868 381 H TYR 53 H TYR 53 4.760 6.733 -9.329 382 HA TYR 53 HA TYR 53 5.346 4.652 -7.378 383 1HB TYR 53 2HB TYR 53 3.567 7.083 -7.208 384 2HB TYR 53 1HB TYR 53 3.766 5.914 -5.913 385 HD1 TYR 53 1HD TYR 53 5.197 8.758 -7.639 386 HD2 TYR 53 2HD TYR 53 5.944 5.728 -4.756 387 HE1 TYR 53 1HE TYR 53 7.125 10.027 -6.814 388 HE2 TYR 53 2HE TYR 53 7.875 6.984 -3.917 389 HH TYR 53 HH TYR 53 9.454 8.671 -4.817 390 H SER 54 H SER 54 3.749 4.424 -10.050 391 HA SER 54 HA SER 54 1.067 3.891 -9.286 392 1HB SER 54 2HB SER 54 1.693 4.532 -11.602 393 2HB SER 54 1HB SER 54 2.540 2.987 -11.751 394 HG SER 54 HG SER 54 0.369 2.122 -11.078 395 H MET 55 H MET 55 3.867 2.097 -8.780 396 HA MET 55 HA MET 55 2.593 -0.488 -9.032 397 1HB MET 55 2HB MET 55 5.284 0.148 -7.821 398 2HB MET 55 1HB MET 55 4.672 -1.450 -8.221 399 1HG MET 55 2HG MET 55 5.323 0.771 -10.061 400 2HG MET 55 1HG MET 55 6.225 -0.715 -9.896 401 1HE MET 55 1HE MET 55 5.353 0.262 -12.774 402 2HE MET 55 2HE MET 55 4.728 -1.226 -13.481 403 3HE MET 55 3HE MET 55 6.183 -1.267 -12.486 404 H PHE 56 H PHE 56 3.034 1.883 -6.654 405 HA PHE 56 HA PHE 56 2.548 0.118 -4.414 406 1HB PHE 56 2HB PHE 56 2.504 3.147 -4.547 407 2HB PHE 56 1HB PHE 56 2.554 2.168 -3.088 408 HD1 PHE 56 1HD PHE 56 4.447 3.638 -5.768 409 HD2 PHE 56 2HD PHE 56 4.591 0.909 -2.546 410 HE1 PHE 56 1HE PHE 56 6.888 3.710 -5.843 411 HE2 PHE 56 2HE PHE 56 7.030 0.953 -2.589 412 HZ PHE 56 HZ PHE 56 8.212 2.361 -4.248 413 H ALA 57 H ALA 57 0.943 2.192 -6.591 414 HA ALA 57 HA ALA 57 -1.482 2.560 -5.228 415 1HB ALA 57 1HB ALA 57 -2.308 3.352 -7.378 416 2HB ALA 57 2HB ALA 57 -0.912 2.645 -8.182 417 3HB ALA 57 3HB ALA 57 -0.691 3.988 -7.063 418 H GLY 58 H GLY 58 -2.975 1.076 -4.810 419 1HA GLY 58 2HA GLY 58 -4.521 -0.553 -5.261 420 2HA GLY 58 1HA GLY 58 -3.780 -0.787 -6.829 421 H LYS 59 H LYS 59 -1.572 -0.842 -4.197 422 HA LYS 59 HA LYS 59 -1.763 -3.718 -3.973 423 1HB LYS 59 2HB LYS 59 -0.390 -3.318 -6.000 424 2HB LYS 59 1HB LYS 59 0.657 -2.287 -5.063 425 1HG LYS 59 2HG LYS 59 1.629 -4.486 -5.523 426 2HG LYS 59 1HG LYS 59 1.474 -4.144 -3.801 427 1HD LYS 59 2HD LYS 59 0.923 -6.450 -4.447 428 2HD LYS 59 1HD LYS 59 -0.378 -5.630 -3.616 429 1HE LYS 59 2HE LYS 59 -1.265 -6.926 -5.504 430 2HE LYS 59 1HE LYS 59 -1.440 -5.213 -5.858 431 1HZ LYS 59 1HZ LYS 59 0.566 -5.357 -7.241 432 2HZ LYS 59 2HZ LYS 59 -0.598 -6.464 -7.757 433 3HZ LYS 59 3HZ LYS 59 0.706 -6.989 -6.840 434 H ASP 60 H ASP 60 -0.985 -4.446 -1.995 435 HA ASP 60 HA ASP 60 -0.054 -2.501 -0.104 436 1HB ASP 60 2HB ASP 60 -1.265 -4.605 0.630 437 2HB ASP 60 1HB ASP 60 0.128 -5.530 0.078 438 H ALA 61 H ALA 61 1.971 -1.989 0.324 439 HA ALA 61 HA ALA 61 3.942 -3.077 -1.571 440 1HB ALA 61 1HB ALA 61 3.691 -0.298 -0.483 441 2HB ALA 61 2HB ALA 61 3.206 -0.837 -2.095 442 3HB ALA 61 3HB ALA 61 4.907 -0.867 -1.621 443 H SER 62 H SER 62 3.429 -3.867 1.321 444 HA SER 62 HA SER 62 5.300 -2.749 3.027 445 1HB SER 62 2HB SER 62 4.308 -5.603 2.971 446 2HB SER 62 1HB SER 62 5.123 -4.823 4.329 447 HG SER 62 HG SER 62 2.619 -4.274 3.184 448 H ARG 63 H ARG 63 5.791 -5.549 0.873 449 HA ARG 63 HA ARG 63 8.562 -5.805 1.613 450 1HB ARG 63 2HB ARG 63 7.424 -7.776 0.779 451 2HB ARG 63 1HB ARG 63 7.022 -6.934 -0.717 452 1HG ARG 63 2HG ARG 63 9.383 -6.856 -1.322 453 2HG ARG 63 1HG ARG 63 9.802 -7.686 0.176 454 1HD ARG 63 2HD ARG 63 8.701 -9.676 -0.536 455 2HD ARG 63 1HD ARG 63 7.957 -8.844 -1.903 456 HE ARG 63 HE ARG 63 10.638 -8.533 -2.270 457 1HH1 ARG 63 1HH1 ARG 63 8.649 -11.447 -1.813 458 2HH1 ARG 63 2HH1 ARG 63 9.489 -12.329 -2.995 459 1HH2 ARG 63 1HH2 ARG 63 11.738 -9.747 -3.807 460 2HH2 ARG 63 2HH2 ARG 63 11.312 -11.387 -4.135 461 H ALA 64 H ALA 64 6.815 -4.104 -0.805 462 HA ALA 64 HA ALA 64 8.891 -3.694 -2.739 463 1HB ALA 64 1HB ALA 64 6.490 -1.958 -2.224 464 2HB ALA 64 2HB ALA 64 6.492 -3.356 -3.275 465 3HB ALA 64 3HB ALA 64 7.475 -1.948 -3.678 466 H LEU 65 H LEU 65 7.641 -1.921 -0.106 467 HA LEU 65 HA LEU 65 9.123 0.413 -0.301 468 1HB LEU 65 2HB LEU 65 7.783 -1.055 1.862 469 2HB LEU 65 1HB LEU 65 8.566 0.459 2.180 470 HG LEU 65 HG LEU 65 6.180 -0.036 0.366 471 1HD1 LEU 65 1HD1 LEU 65 5.650 -0.010 2.711 472 2HD1 LEU 65 2HD1 LEU 65 5.031 1.428 1.899 473 3HD1 LEU 65 3HD1 LEU 65 6.468 1.535 2.906 474 1HD2 LEU 65 1HD2 LEU 65 7.755 2.395 0.934 475 2HD2 LEU 65 2HD2 LEU 65 6.185 2.416 0.122 476 3HD2 LEU 65 3HD2 LEU 65 7.593 1.635 -0.652 477 H GLY 66 H GLY 66 9.925 -2.629 1.290 478 1HA GLY 66 2HA GLY 66 12.284 -1.402 2.410 479 2HA GLY 66 1HA GLY 66 11.862 -3.087 2.584 480 H LYS 67 H LYS 67 11.470 -3.191 -0.373 481 HA LYS 67 HA LYS 67 14.219 -3.862 -1.020 482 1HB LYS 67 2HB LYS 67 11.748 -4.010 -2.744 483 2HB LYS 67 1HB LYS 67 13.288 -4.758 -3.099 484 1HG LYS 67 2HG LYS 67 11.450 -5.456 -0.825 485 2HG LYS 67 1HG LYS 67 11.635 -6.392 -2.294 486 1HD LYS 67 2HD LYS 67 13.714 -5.907 -0.149 487 2HD LYS 67 1HD LYS 67 12.861 -7.410 -0.501 488 1HE LYS 67 2HE LYS 67 13.934 -7.484 -2.714 489 2HE LYS 67 1HE LYS 67 14.758 -5.974 -2.286 490 1HZ LYS 67 1HZ LYS 67 15.836 -7.087 -0.470 491 2HZ LYS 67 2HZ LYS 67 16.198 -7.878 -1.920 492 3HZ LYS 67 3HZ LYS 67 15.082 -8.546 -0.851 493 H MET 68 H MET 68 11.840 -1.471 -1.808 494 HA MET 68 HA MET 68 11.864 0.552 -2.764 495 1HB MET 68 2HB MET 68 14.834 0.157 -3.286 496 2HB MET 68 1HB MET 68 13.941 1.647 -3.525 497 1HG MET 68 2HG MET 68 13.442 1.631 -1.065 498 2HG MET 68 1HG MET 68 14.520 0.257 -0.950 499 1HE MET 68 1HE MET 68 15.957 4.442 -2.303 500 2HE MET 68 2HE MET 68 14.279 4.074 -1.901 501 3HE MET 68 3HE MET 68 15.014 3.384 -3.346 502 H SER 69 H SER 69 11.587 -2.015 -3.869 503 HA SER 69 HA SER 69 12.254 -1.653 -6.693 504 1HB SER 69 2HB SER 69 11.427 -4.069 -5.110 505 2HB SER 69 1HB SER 69 11.896 -4.045 -6.805 506 HG SER 69 HG SER 69 13.774 -2.857 -5.303 507 H LYS 70 H LYS 70 10.887 -1.570 -8.122 508 HA LYS 70 HA LYS 70 8.089 -1.114 -7.414 509 1HB LYS 70 2HB LYS 70 9.788 -0.384 -9.777 510 2HB LYS 70 1HB LYS 70 8.126 0.139 -9.499 511 1HG LYS 70 2HG LYS 70 8.692 1.504 -7.747 512 2HG LYS 70 1HG LYS 70 10.204 0.652 -7.438 513 1HD LYS 70 2HD LYS 70 11.153 1.520 -9.423 514 2HD LYS 70 1HD LYS 70 9.620 2.233 -9.883 515 1HE LYS 70 2HE LYS 70 9.752 3.703 -7.877 516 2HE LYS 70 1HE LYS 70 11.284 2.947 -7.455 517 1HZ LYS 70 1HZ LYS 70 10.722 4.609 -9.847 518 2HZ LYS 70 2HZ LYS 70 12.209 3.855 -9.551 519 3HZ LYS 70 3HZ LYS 70 11.639 5.055 -8.513 520 H ASN 71 H ASN 71 10.227 -3.222 -8.911 521 HA ASN 71 HA ASN 71 8.596 -4.389 -10.879 522 1HB ASN 71 2HB ASN 71 9.946 -6.447 -10.479 523 2HB ASN 71 1HB ASN 71 10.907 -5.037 -11.049 524 1HD2 ASN 71 1HD2 ASN 71 10.364 -7.450 -8.777 525 2HD2 ASN 71 2HD2 ASN 71 11.576 -7.036 -7.617 526 H GLU 72 H GLU 72 7.276 -6.019 -10.951 527 HA GLU 72 HA GLU 72 5.382 -6.274 -8.961 528 1HB GLU 72 2HB GLU 72 4.596 -8.181 -10.268 529 2HB GLU 72 1HB GLU 72 4.802 -6.718 -11.240 530 1HG GLU 72 2HG GLU 72 6.907 -7.652 -12.095 531 2HG GLU 72 1HG GLU 72 6.690 -9.077 -11.082 532 H GLU 73 H GLU 73 8.214 -8.133 -9.525 533 HA GLU 73 HA GLU 73 7.644 -10.428 -8.026 534 1HB GLU 73 2HB GLU 73 9.440 -10.219 -9.626 535 2HB GLU 73 1HB GLU 73 10.275 -9.073 -8.601 536 1HG GLU 73 2HG GLU 73 11.307 -11.206 -8.403 537 2HG GLU 73 1HG GLU 73 10.481 -10.745 -6.907 538 H ASP 74 H ASP 74 8.928 -7.259 -7.097 539 HA ASP 74 HA ASP 74 9.220 -8.281 -4.386 540 1HB ASP 74 2HB ASP 74 10.504 -5.914 -5.712 541 2HB ASP 74 1HB ASP 74 10.525 -6.125 -3.967 542 H VAL 75 H VAL 75 6.975 -6.669 -6.117 543 HA VAL 75 HA VAL 75 6.228 -5.047 -3.808 544 HB VAL 75 HB VAL 75 4.520 -5.290 -6.321 545 1HG1 VAL 75 1HG1 VAL 75 3.442 -4.404 -4.390 546 2HG1 VAL 75 2HG1 VAL 75 3.665 -3.155 -5.655 547 3HG1 VAL 75 3HG1 VAL 75 4.695 -3.166 -4.232 548 1HG2 VAL 75 1HG2 VAL 75 6.662 -3.276 -5.744 549 2HG2 VAL 75 2HG2 VAL 75 5.550 -3.244 -7.118 550 3HG2 VAL 75 3HG2 VAL 75 6.752 -4.544 -6.966 551 H SER 76 H SER 76 5.008 -5.775 -2.254 552 HA SER 76 HA SER 76 3.196 -7.935 -2.563 553 1HB SER 76 2HB SER 76 5.974 -8.271 -1.713 554 2HB SER 76 1HB SER 76 4.746 -9.351 -1.037 555 HG SER 76 HG SER 76 4.839 -8.925 -3.810 556 HA PRO 77 HA PRO 77 1.881 -6.327 1.389 557 1HB PRO 77 2HB PRO 77 0.330 -8.307 2.278 558 2HB PRO 77 1HB PRO 77 -0.084 -7.406 0.816 559 1HG PRO 77 2HG PRO 77 1.226 -10.083 1.076 560 2HG PRO 77 1HG PRO 77 -0.086 -9.586 -0.009 561 1HD PRO 77 2HD PRO 77 2.527 -9.758 -0.778 562 2HD PRO 77 1HD PRO 77 1.365 -8.637 -1.514 563 H SER 78 H SER 78 3.968 -9.029 1.420 564 HA SER 78 HA SER 78 4.123 -9.058 4.409 565 1HB SER 78 2HB SER 78 4.996 -11.120 2.393 566 2HB SER 78 1HB SER 78 5.083 -11.203 4.158 567 HG SER 78 HG SER 78 2.754 -10.899 4.082 568 H LEU 79 H LEU 79 6.109 -9.474 5.353 569 HA LEU 79 HA LEU 79 7.931 -7.628 4.110 570 1HB LEU 79 2HB LEU 79 8.110 -8.793 6.897 571 2HB LEU 79 1HB LEU 79 9.053 -7.509 6.159 572 HG LEU 79 HG LEU 79 6.196 -7.400 7.036 573 1HD1 LEU 79 1HD1 LEU 79 8.545 -5.658 7.723 574 2HD1 LEU 79 2HD1 LEU 79 7.854 -6.905 8.759 575 3HD1 LEU 79 3HD1 LEU 79 6.910 -5.474 8.326 576 1HD2 LEU 79 1HD2 LEU 79 6.270 -6.449 4.870 577 2HD2 LEU 79 2HD2 LEU 79 7.656 -5.436 5.300 578 3HD2 LEU 79 3HD2 LEU 79 6.080 -5.163 6.068 579 H GLU 80 H GLU 80 7.396 -10.738 3.917 580 HA GLU 80 HA GLU 80 8.423 -12.397 2.893 581 1HB GLU 80 2HB GLU 80 9.065 -10.483 1.455 582 2HB GLU 80 1HB GLU 80 10.596 -10.415 2.268 583 1HG GLU 80 2HG GLU 80 10.843 -11.622 0.205 584 2HG GLU 80 1HG GLU 80 11.050 -12.668 1.629 585 H GLY 81 H GLY 81 11.444 -10.904 3.669 586 1HA GLY 81 2HA GLY 81 11.875 -12.315 5.989 587 2HA GLY 81 1HA GLY 81 12.756 -13.096 4.656 588 H LEU 82 H LEU 82 11.949 -9.786 5.309 589 HA LEU 82 HA LEU 82 14.437 -8.822 4.343 590 1HB LEU 82 2HB LEU 82 12.094 -7.453 5.630 591 2HB LEU 82 1HB LEU 82 13.458 -6.617 4.909 592 HG LEU 82 HG LEU 82 11.611 -8.462 3.385 593 1HD1 LEU 82 1HD1 LEU 82 10.724 -6.477 2.385 594 2HD1 LEU 82 2HD1 LEU 82 11.707 -5.452 3.436 595 3HD1 LEU 82 3HD1 LEU 82 10.412 -6.471 4.122 596 1HD2 LEU 82 1HD2 LEU 82 12.655 -7.537 1.459 597 2HD2 LEU 82 2HD2 LEU 82 13.938 -8.165 2.542 598 3HD2 LEU 82 3HD2 LEU 82 13.539 -6.439 2.495 599 H THR 83 H THR 83 16.172 -8.130 5.365 600 HA THR 83 HA THR 83 16.461 -8.590 8.170 601 HB THR 83 HB THR 83 18.765 -7.749 7.690 602 HG1 THR 83 1HG THR 83 19.232 -7.433 5.438 603 1HG2 THR 83 1HG2 THR 83 19.435 -9.631 6.259 604 2HG2 THR 83 2HG2 THR 83 17.747 -9.870 5.795 605 3HG2 THR 83 3HG2 THR 83 18.250 -10.139 7.468 606 H GLU 84 H GLU 84 17.803 -6.574 9.229 607 HA GLU 84 HA GLU 84 15.833 -4.592 9.358 608 1HB GLU 84 2HB GLU 84 18.538 -4.695 10.620 609 2HB GLU 84 1HB GLU 84 17.388 -3.385 10.911 610 1HG GLU 84 2HG GLU 84 15.749 -5.065 11.682 611 2HG GLU 84 1HG GLU 84 16.976 -6.304 11.484 612 H LYS 85 H LYS 85 18.800 -4.676 7.549 613 HA LYS 85 HA LYS 85 19.046 -1.987 6.751 614 1HB LYS 85 2HB LYS 85 20.595 -3.692 5.990 615 2HB LYS 85 1HB LYS 85 19.307 -4.519 5.129 616 1HG LYS 85 2HG LYS 85 19.031 -2.395 3.787 617 2HG LYS 85 1HG LYS 85 20.574 -1.879 4.470 618 1HD LYS 85 2HD LYS 85 20.053 -4.393 2.948 619 2HD LYS 85 1HD LYS 85 20.823 -2.955 2.269 620 1HE LYS 85 2HE LYS 85 22.655 -3.165 3.927 621 2HE LYS 85 1HE LYS 85 21.903 -4.625 4.554 622 1HZ LYS 85 1HZ LYS 85 22.908 -4.296 1.777 623 2HZ LYS 85 2HZ LYS 85 22.276 -5.714 2.445 624 3HZ LYS 85 3HZ LYS 85 23.713 -5.100 3.012 625 H GLU 86 H GLU 86 17.285 -4.601 5.316 626 HA GLU 86 HA GLU 86 15.960 -3.347 3.227 627 1HB GLU 86 2HB GLU 86 15.389 -5.686 4.938 628 2HB GLU 86 1HB GLU 86 14.533 -5.326 3.465 629 1HG GLU 86 2HG GLU 86 17.490 -5.949 3.762 630 2HG GLU 86 1HG GLU 86 16.278 -7.090 3.200 631 H ILE 87 H ILE 87 14.923 -4.399 6.378 632 HA ILE 87 HA ILE 87 12.358 -3.581 6.213 633 HB ILE 87 HB ILE 87 14.153 -4.429 8.332 634 1HG1 ILE 87 2HG1 ILE 87 12.957 -5.964 6.902 635 2HG1 ILE 87 1HG1 ILE 87 12.563 -6.233 8.586 636 1HG2 ILE 87 1HG2 ILE 87 12.415 -4.206 10.101 637 2HG2 ILE 87 2HG2 ILE 87 11.433 -3.295 8.934 638 3HG2 ILE 87 3HG2 ILE 87 12.982 -2.640 9.487 639 1HD1 ILE 87 1HD1 ILE 87 10.859 -4.829 6.535 640 2HD1 ILE 87 2HD1 ILE 87 10.535 -4.893 8.257 641 3HD1 ILE 87 3HD1 ILE 87 10.562 -6.395 7.320 642 H ASN 88 H ASN 88 15.131 -1.891 7.669 643 HA ASN 88 HA ASN 88 13.741 0.293 8.755 644 1HB ASN 88 2HB ASN 88 16.548 -0.062 7.885 645 2HB ASN 88 1HB ASN 88 15.978 1.573 8.172 646 1HD2 ASN 88 1HD2 ASN 88 16.788 -1.470 9.576 647 2HD2 ASN 88 2HD2 ASN 88 16.749 -0.995 11.241 648 H THR 89 H THR 89 14.787 -0.327 5.545 649 HA THR 89 HA THR 89 14.450 2.226 4.498 650 HB THR 89 HB THR 89 14.129 -0.503 3.248 651 HG1 THR 89 1HG THR 89 16.222 -0.283 3.962 652 1HG2 THR 89 1HG2 THR 89 13.063 1.159 1.927 653 2HG2 THR 89 2HG2 THR 89 14.570 0.645 1.142 654 3HG2 THR 89 3HG2 THR 89 14.491 2.200 2.024 655 H LEU 90 H LEU 90 12.209 -0.528 4.694 656 HA LEU 90 HA LEU 90 9.936 0.845 3.651 657 1HB LEU 90 2HB LEU 90 9.502 -1.251 3.380 658 2HB LEU 90 1HB LEU 90 10.584 -1.809 4.596 659 HG LEU 90 HG LEU 90 8.605 -0.929 6.153 660 1HD1 LEU 90 1HD1 LEU 90 7.227 -0.032 4.487 661 2HD1 LEU 90 2HD1 LEU 90 6.432 -1.376 5.302 662 3HD1 LEU 90 3HD1 LEU 90 7.103 -1.602 3.688 663 1HD2 LEU 90 1HD2 LEU 90 7.710 -3.181 6.215 664 2HD2 LEU 90 2HD2 LEU 90 9.489 -3.134 6.207 665 3HD2 LEU 90 3HD2 LEU 90 8.601 -3.544 4.729 666 H ASN 91 H ASN 91 11.025 -0.020 6.872 667 HA ASN 91 HA ASN 91 8.936 0.868 8.432 668 1HB ASN 91 2HB ASN 91 11.169 -0.297 9.042 669 2HB ASN 91 1HB ASN 91 11.808 1.335 9.179 670 1HD2 ASN 91 1HD2 ASN 91 9.699 -1.018 10.455 671 2HD2 ASN 91 2HD2 ASN 91 9.364 -0.278 11.962 672 H ASP 92 H ASP 92 11.546 2.715 6.944 673 HA ASP 92 HA ASP 92 10.785 5.264 7.958 674 1HB ASP 92 2HB ASP 92 13.029 4.974 7.111 675 2HB ASP 92 1HB ASP 92 12.419 4.453 5.547 676 H TRP 93 H TRP 93 10.115 3.507 4.963 677 HA TRP 93 HA TRP 93 8.497 5.421 3.684 678 1HB TRP 93 2HB TRP 93 8.795 2.507 3.482 679 2HB TRP 93 1HB TRP 93 7.504 3.278 2.599 680 HD1 TRP 93 HD TRP 93 10.994 2.232 2.216 681 HE1 TRP 93 1HE TRP 93 12.144 3.377 0.227 682 HE3 TRP 93 3HE TRP 93 7.579 5.929 1.324 683 HZ2 TRP 93 2HZ TRP 93 11.671 5.552 -1.501 684 HZ3 TRP 93 3HZ TRP 93 8.007 7.503 -0.521 685 HH2 TRP 93 HH TRP 93 10.009 7.318 -1.901 686 H GLU 94 H GLU 94 7.548 3.028 6.004 687 HA GLU 94 HA GLU 94 4.803 3.352 5.879 688 1HB GLU 94 2HB GLU 94 6.512 3.186 8.368 689 2HB GLU 94 1HB GLU 94 4.780 2.930 8.321 690 1HG GLU 94 2HG GLU 94 5.089 1.009 6.914 691 2HG GLU 94 1HG GLU 94 6.841 1.222 6.922 692 H THR 95 H THR 95 7.052 5.112 7.806 693 HA THR 95 HA THR 95 5.581 7.065 9.049 694 HB THR 95 HB THR 95 8.365 7.381 7.957 695 HG1 THR 95 1HG THR 95 8.592 5.526 9.032 696 1HG2 THR 95 1HG2 THR 95 8.725 8.663 10.051 697 2HG2 THR 95 2HG2 THR 95 7.037 8.404 10.489 698 3HG2 THR 95 3HG2 THR 95 7.440 9.372 9.072 699 H LYS 96 H LYS 96 6.665 6.929 5.724 700 HA LYS 96 HA LYS 96 6.575 9.763 5.239 701 1HB LYS 96 2HB LYS 96 6.875 7.404 3.384 702 2HB LYS 96 1HB LYS 96 7.103 9.090 2.926 703 1HG LYS 96 2HG LYS 96 8.641 7.742 5.092 704 2HG LYS 96 1HG LYS 96 9.258 7.788 3.467 705 1HD LYS 96 2HD LYS 96 9.139 10.311 3.608 706 2HD LYS 96 1HD LYS 96 8.631 10.126 5.286 707 1HE LYS 96 2HE LYS 96 10.707 9.020 5.829 708 2HE LYS 96 1HE LYS 96 11.221 9.092 4.150 709 1HZ LYS 96 1HZ LYS 96 11.216 11.534 4.325 710 2HZ LYS 96 2HZ LYS 96 12.256 10.799 5.423 711 3HZ LYS 96 3HZ LYS 96 10.787 11.404 5.960 712 H PHE 97 H PHE 97 4.652 6.978 4.741 713 HA PHE 97 HA PHE 97 2.556 8.395 3.396 714 1HB PHE 97 2HB PHE 97 2.913 5.637 4.452 715 2HB PHE 97 1HB PHE 97 1.382 6.161 3.812 716 HD1 PHE 97 1HD PHE 97 1.026 6.219 1.455 717 HD2 PHE 97 2HD PHE 97 4.943 5.585 2.966 718 HE1 PHE 97 1HE PHE 97 1.801 5.617 -0.801 719 HE2 PHE 97 2HE PHE 97 5.722 4.977 0.713 720 HZ PHE 97 HZ PHE 97 4.147 4.992 -1.171 721 H GLU 98 H GLU 98 3.215 7.012 6.550 722 HA GLU 98 HA GLU 98 0.784 7.323 7.834 723 1HB GLU 98 2HB GLU 98 3.584 7.319 8.797 724 2HB GLU 98 1HB GLU 98 2.324 7.366 9.974 725 1HG GLU 98 2HG GLU 98 1.472 5.213 8.876 726 2HG GLU 98 1HG GLU 98 2.996 5.233 7.999 727 H ALA 99 H ALA 99 3.143 9.790 7.140 728 HA ALA 99 HA ALA 99 1.878 11.635 9.030 729 1HB ALA 99 1HB ALA 99 4.312 11.880 7.336 730 2HB ALA 99 2HB ALA 99 4.327 11.422 9.051 731 3HB ALA 99 3HB ALA 99 3.792 13.042 8.547 732 H LYS 100 H LYS 100 1.170 10.635 6.056 733 HA LYS 100 HA LYS 100 0.906 13.376 5.052 734 1HB LYS 100 2HB LYS 100 2.855 11.992 4.174 735 2HB LYS 100 1HB LYS 100 1.640 11.004 3.398 736 1HG LYS 100 2HG LYS 100 2.326 12.440 1.713 737 2HG LYS 100 1HG LYS 100 0.843 13.152 2.370 738 1HD LYS 100 2HD LYS 100 3.481 13.956 3.421 739 2HD LYS 100 1HD LYS 100 2.930 14.715 1.912 740 1HE LYS 100 2HE LYS 100 1.748 14.933 4.726 741 2HE LYS 100 1HE LYS 100 2.451 16.157 3.726 742 1HZ LYS 100 1HZ LYS 100 -0.095 14.801 2.995 743 2HZ LYS 100 2HZ LYS 100 0.636 16.056 2.179 744 3HZ LYS 100 3HZ LYS 100 0.051 16.299 3.732 745 H TYR 101 H TYR 101 -0.105 10.000 4.811 746 HA TYR 101 HA TYR 101 -2.639 10.894 3.659 747 1HB TYR 101 2HB TYR 101 -1.225 8.251 3.343 748 2HB TYR 101 1HB TYR 101 -2.729 8.743 2.567 749 HD1 TYR 101 1HD TYR 101 0.763 8.537 2.244 750 HD2 TYR 101 2HD TYR 101 -2.570 10.886 1.065 751 HE1 TYR 101 1HE TYR 101 2.074 9.461 0.414 752 HE2 TYR 101 2HE TYR 101 -1.266 11.824 -0.792 753 HH TYR 101 HH TYR 101 1.049 12.186 -1.365 754 HA PRO 102 HA PRO 102 -4.437 9.077 7.262 755 1HB PRO 102 2HB PRO 102 -6.979 8.955 6.467 756 2HB PRO 102 1HB PRO 102 -6.181 10.511 6.753 757 1HG PRO 102 2HG PRO 102 -6.663 9.081 4.164 758 2HG PRO 102 1HG PRO 102 -6.933 10.788 4.545 759 1HD PRO 102 2HD PRO 102 -4.707 9.919 3.255 760 2HD PRO 102 1HD PRO 102 -4.715 11.313 4.365 761 H VAL 103 H VAL 103 -4.802 7.091 7.985 762 HA VAL 103 HA VAL 103 -4.864 4.818 6.204 763 HB VAL 103 HB VAL 103 -5.359 4.872 9.219 764 1HG1 VAL 103 1HG1 VAL 103 -6.323 2.891 8.191 765 2HG1 VAL 103 2HG1 VAL 103 -4.900 2.449 9.141 766 3HG1 VAL 103 3HG1 VAL 103 -4.796 2.543 7.382 767 1HG2 VAL 103 1HG2 VAL 103 -3.082 4.034 9.454 768 2HG2 VAL 103 2HG2 VAL 103 -3.073 5.602 8.636 769 3HG2 VAL 103 3HG2 VAL 103 -2.865 4.108 7.713 770 H VAL 104 H VAL 104 -6.614 4.833 5.022 771 HA VAL 104 HA VAL 104 -9.185 5.553 6.179 772 HB VAL 104 HB VAL 104 -10.107 5.325 3.887 773 1HG1 VAL 104 1HG1 VAL 104 -7.628 7.030 4.115 774 2HG1 VAL 104 2HG1 VAL 104 -9.243 7.465 4.675 775 3HG1 VAL 104 3HG1 VAL 104 -8.935 7.266 2.952 776 1HG2 VAL 104 1HG2 VAL 104 -8.564 5.017 2.007 777 2HG2 VAL 104 2HG2 VAL 104 -8.598 3.592 3.047 778 3HG2 VAL 104 3HG2 VAL 104 -7.246 4.725 3.140 779 H GLY 105 H GLY 105 -7.494 2.760 6.020 780 1HA GLY 105 2HA GLY 105 -9.441 1.234 7.123 781 2HA GLY 105 1HA GLY 105 -9.637 1.014 5.392 782 H ARG 106 H ARG 106 -9.110 -1.045 5.405 783 HA ARG 106 HA ARG 106 -6.324 -1.759 6.017 784 1HB ARG 106 2HB ARG 106 -7.198 -3.915 6.768 785 2HB ARG 106 1HB ARG 106 -7.541 -2.687 7.924 786 1HG ARG 106 2HG ARG 106 -9.831 -2.544 7.101 787 2HG ARG 106 1HG ARG 106 -9.437 -3.773 5.891 788 1HD ARG 106 2HD ARG 106 -10.493 -4.797 7.795 789 2HD ARG 106 1HD ARG 106 -8.772 -5.231 7.513 790 HE ARG 106 HE ARG 106 -9.052 -3.093 9.353 791 1HH1 ARG 106 1HH1 ARG 106 -9.234 -6.624 9.233 792 2HH1 ARG 106 2HH1 ARG 106 -8.913 -6.840 10.887 793 1HH2 ARG 106 1HH2 ARG 106 -8.643 -3.412 11.655 794 2HH2 ARG 106 2HH2 ARG 106 -8.563 -4.988 12.291 795 H VAL 107 H VAL 107 -5.660 -3.602 4.930 796 HA VAL 107 HA VAL 107 -7.566 -4.606 3.003 797 HB VAL 107 HB VAL 107 -5.597 -3.578 1.830 798 1HG1 VAL 107 1HG1 VAL 107 -3.924 -3.983 3.458 799 2HG1 VAL 107 2HG1 VAL 107 -3.455 -4.767 1.916 800 3HG1 VAL 107 3HG1 VAL 107 -4.112 -5.727 3.254 801 1HG2 VAL 107 1HG2 VAL 107 -6.878 -5.289 0.839 802 2HG2 VAL 107 2HG2 VAL 107 -6.020 -6.475 1.777 803 3HG2 VAL 107 3HG2 VAL 107 -5.158 -5.623 0.448 804 H VAL 108 H VAL 108 -7.966 -6.685 3.066 805 HA VAL 108 HA VAL 108 -6.609 -8.241 5.160 806 HB VAL 108 HB VAL 108 -8.796 -9.047 5.888 807 1HG1 VAL 108 1HG1 VAL 108 -8.864 -6.197 5.289 808 2HG1 VAL 108 2HG1 VAL 108 -8.011 -6.869 6.705 809 3HG1 VAL 108 3HG1 VAL 108 -9.817 -6.928 6.558 810 1HG2 VAL 108 1HG2 VAL 108 -9.954 -8.993 3.679 811 2HG2 VAL 108 2HG2 VAL 108 -9.899 -7.202 3.884 812 3HG2 VAL 108 3HG2 VAL 108 -10.825 -8.161 5.011 813 H SER 109 H SER 109 -6.177 -10.388 4.456 814 HA SER 109 HA SER 109 -8.269 -11.370 2.810 815 1HB SER 109 2HB SER 109 -6.731 -12.408 1.104 816 2HB SER 109 1HB SER 109 -6.818 -10.632 1.153 817 HG SER 109 HG SER 109 -4.868 -11.147 2.708 Start of MODEL 9 1 1H MET 1 1HT MET 1 -15.826 -6.091 -5.224 2 2H MET 1 2HT MET 1 -14.422 -6.858 -4.742 3 3H MET 1 3HT MET 1 -14.823 -6.776 -6.399 4 HA MET 1 HA MET 1 -13.088 -5.179 -5.779 5 1HB MET 1 2HB MET 1 -15.777 -3.969 -6.564 6 2HB MET 1 1HB MET 1 -14.246 -3.130 -6.674 7 1HG MET 1 2HG MET 1 -14.928 -3.929 -8.838 8 2HG MET 1 1HG MET 1 -13.474 -4.771 -8.321 9 1HE MET 1 1HE MET 1 -15.359 -7.456 -10.462 10 2HE MET 1 2HE MET 1 -13.844 -6.587 -10.220 11 3HE MET 1 3HE MET 1 -15.284 -5.716 -10.749 12 H GLY 2 H GLY 2 -13.513 -2.531 -5.039 13 1HA GLY 2 2HA GLY 2 -14.832 -2.447 -2.498 14 2HA GLY 2 1HA GLY 2 -13.071 -2.427 -2.398 15 H HIS 3 H HIS 3 -15.832 -0.565 -2.888 16 HA HIS 3 HA HIS 3 -14.282 1.562 -4.168 17 1HB HIS 3 2HB HIS 3 -17.275 1.353 -3.731 18 2HB HIS 3 1HB HIS 3 -16.470 2.722 -4.486 19 HD1 HIS 3 1HD HIS 3 -16.169 2.580 -6.981 20 HD2 HIS 3 2HD HIS 3 -17.049 -1.115 -5.289 21 HE1 HIS 3 1HE HIS 3 -16.503 1.024 -8.898 22 HE2 HIS 3 2HE HIS 3 -17.184 -1.144 -7.885 23 H HIS 4 H HIS 4 -16.965 1.757 -1.870 24 HA HIS 4 HA HIS 4 -15.382 2.677 0.280 25 1HB HIS 4 2HB HIS 4 -17.080 4.707 -1.200 26 2HB HIS 4 1HB HIS 4 -16.722 4.876 0.512 27 HD1 HIS 4 1HD HIS 4 -15.513 5.933 -2.709 28 HD2 HIS 4 2HD HIS 4 -13.739 4.901 0.909 29 HE1 HIS 4 1HE HIS 4 -13.240 6.916 -2.772 30 HE2 HIS 4 2HE HIS 4 -12.103 6.014 -0.737 31 H HIS 5 H HIS 5 -16.231 1.714 1.835 32 HA HIS 5 HA HIS 5 -19.136 1.603 2.061 33 1HB HIS 5 2HB HIS 5 -18.925 -0.734 3.002 34 2HB HIS 5 1HB HIS 5 -18.597 -0.613 1.282 35 HD1 HIS 5 1HD HIS 5 -17.144 -1.785 4.462 36 HD2 HIS 5 2HD HIS 5 -15.757 -0.864 0.652 37 HE1 HIS 5 1HE HIS 5 -14.885 -2.814 4.302 38 HE2 HIS 5 2HE HIS 5 -14.108 -2.360 1.963 39 H HIS 6 H HIS 6 -19.391 3.015 3.565 40 HA HIS 6 HA HIS 6 -17.450 3.350 5.616 41 1HB HIS 6 2HB HIS 6 -18.854 5.218 6.516 42 2HB HIS 6 1HB HIS 6 -18.381 5.403 4.838 43 HD1 HIS 6 1HD HIS 6 -21.317 5.174 7.067 44 HD2 HIS 6 2HD HIS 6 -20.571 5.155 2.986 45 HE1 HIS 6 1HE HIS 6 -23.532 5.583 5.982 46 HE2 HIS 6 2HE HIS 6 -23.093 5.443 3.523 47 H HIS 7 H HIS 7 -17.483 1.379 6.454 48 HA HIS 7 HA HIS 7 -19.033 1.228 8.920 49 1HB HIS 7 2HB HIS 7 -18.584 -1.129 7.038 50 2HB HIS 7 1HB HIS 7 -19.161 -1.268 8.688 51 HD1 HIS 7 1HD HIS 7 -21.618 -1.249 8.971 52 HD2 HIS 7 2HD HIS 7 -20.466 0.165 5.254 53 HE1 HIS 7 1HE HIS 7 -23.749 -0.982 7.667 54 HE2 HIS 7 2HE HIS 7 -22.973 -0.413 5.342 55 H HIS 8 H HIS 8 -17.309 1.702 10.182 56 HA HIS 8 HA HIS 8 -15.231 1.665 11.112 57 1HB HIS 8 2HB HIS 8 -14.954 -1.058 9.736 58 2HB HIS 8 1HB HIS 8 -13.852 -0.437 10.953 59 HD1 HIS 8 1HD HIS 8 -14.587 -0.663 13.430 60 HD2 HIS 8 2HD HIS 8 -17.437 -1.983 10.703 61 HE1 HIS 8 1HE HIS 8 -16.262 -1.908 14.766 62 HE2 HIS 8 2HE HIS 8 -18.010 -2.660 13.133 63 H LEU 9 H LEU 9 -12.730 0.714 9.909 64 HA LEU 9 HA LEU 9 -12.522 2.664 7.829 65 1HB LEU 9 2HB LEU 9 -10.501 0.631 8.806 66 2HB LEU 9 1HB LEU 9 -10.177 1.885 7.630 67 HG LEU 9 HG LEU 9 -10.898 2.340 10.517 68 1HD1 LEU 9 1HD1 LEU 9 -8.316 2.692 9.010 69 2HD1 LEU 9 2HD1 LEU 9 -8.657 1.457 10.223 70 3HD1 LEU 9 3HD1 LEU 9 -8.600 3.158 10.685 71 1HD2 LEU 9 1HD2 LEU 9 -10.200 4.287 8.317 72 2HD2 LEU 9 2HD2 LEU 9 -10.348 4.695 10.019 73 3HD2 LEU 9 3HD2 LEU 9 -11.764 4.145 9.125 74 H GLU 10 H GLU 10 -11.436 2.006 5.696 75 HA GLU 10 HA GLU 10 -13.296 0.256 4.413 76 1HB GLU 10 2HB GLU 10 -10.856 1.616 3.321 77 2HB GLU 10 1HB GLU 10 -12.035 0.736 2.369 78 1HG GLU 10 2HG GLU 10 -12.479 3.250 3.934 79 2HG GLU 10 1HG GLU 10 -12.387 3.028 2.181 80 H GLU 11 H GLU 11 -13.045 -1.857 4.839 81 HA GLU 11 HA GLU 11 -10.510 -3.066 4.711 82 1HB GLU 11 2HB GLU 11 -12.104 -4.098 6.127 83 2HB GLU 11 1HB GLU 11 -13.263 -4.253 4.810 84 1HG GLU 11 2HG GLU 11 -11.915 -5.778 3.681 85 2HG GLU 11 1HG GLU 11 -10.572 -5.608 4.753 86 H PHE 12 H PHE 12 -9.467 -3.570 3.084 87 HA PHE 12 HA PHE 12 -10.739 -4.195 0.519 88 1HB PHE 12 2HB PHE 12 -8.233 -2.885 1.344 89 2HB PHE 12 1HB PHE 12 -8.471 -3.732 -0.179 90 HD1 PHE 12 1HD PHE 12 -10.011 -2.681 -1.864 91 HD2 PHE 12 2HD PHE 12 -9.199 -0.743 1.837 92 HE1 PHE 12 1HE PHE 12 -10.963 -0.592 -2.746 93 HE2 PHE 12 2HE PHE 12 -10.155 1.337 0.962 94 HZ PHE 12 HZ PHE 12 -11.038 1.416 -1.335 95 H THR 13 H THR 13 -10.091 -6.154 -0.357 96 HA THR 13 HA THR 13 -8.071 -7.604 1.185 97 HB THR 13 HB THR 13 -9.610 -8.666 -1.188 98 HG1 THR 13 1HG THR 13 -10.710 -7.754 0.992 99 1HG2 THR 13 1HG2 THR 13 -7.751 -9.940 -0.351 100 2HG2 THR 13 2HG2 THR 13 -9.282 -10.785 -0.006 101 3HG2 THR 13 3HG2 THR 13 -8.432 -9.878 1.271 102 H ALA 14 H ALA 14 -6.176 -8.396 0.001 103 HA ALA 14 HA ALA 14 -5.148 -6.322 -1.601 104 1HB ALA 14 1HB ALA 14 -3.881 -9.048 -1.336 105 2HB ALA 14 2HB ALA 14 -3.729 -7.719 -0.176 106 3HB ALA 14 3HB ALA 14 -3.112 -7.529 -1.814 107 H GLU 15 H GLU 15 -6.356 -9.473 -2.587 108 HA GLU 15 HA GLU 15 -5.752 -9.308 -5.325 109 1HB GLU 15 2HB GLU 15 -8.162 -10.541 -3.981 110 2HB GLU 15 1HB GLU 15 -7.728 -10.793 -5.665 111 1HG GLU 15 2HG GLU 15 -6.065 -11.565 -3.283 112 2HG GLU 15 1HG GLU 15 -7.034 -12.657 -4.275 113 H GLN 16 H GLN 16 -8.570 -8.247 -3.570 114 HA GLN 16 HA GLN 16 -9.971 -7.086 -5.726 115 1HB GLN 16 2HB GLN 16 -10.153 -6.748 -2.743 116 2HB GLN 16 1HB GLN 16 -11.149 -5.787 -3.814 117 1HG GLN 16 2HG GLN 16 -12.344 -7.721 -2.916 118 2HG GLN 16 1HG GLN 16 -12.218 -7.783 -4.659 119 1HE2 GLN 16 1HE2 GLN 16 -11.327 -9.245 -1.669 120 2HE2 GLN 16 2HE2 GLN 16 -10.644 -10.680 -2.338 121 H LEU 17 H LEU 17 -7.645 -5.834 -3.461 122 HA LEU 17 HA LEU 17 -7.955 -3.105 -4.022 123 1HB LEU 17 2HB LEU 17 -6.941 -3.950 -1.977 124 2HB LEU 17 1HB LEU 17 -5.589 -4.576 -2.901 125 HG LEU 17 HG LEU 17 -5.017 -2.244 -3.549 126 1HD1 LEU 17 1HD1 LEU 17 -5.979 -0.408 -2.299 127 2HD1 LEU 17 2HD1 LEU 17 -7.121 -1.533 -1.552 128 3HD1 LEU 17 3HD1 LEU 17 -7.187 -1.232 -3.291 129 1HD2 LEU 17 1HD2 LEU 17 -5.129 -2.788 -0.596 130 2HD2 LEU 17 2HD2 LEU 17 -4.105 -1.594 -1.408 131 3HD2 LEU 17 3HD2 LEU 17 -3.869 -3.321 -1.721 132 H SER 18 H SER 18 -6.135 -5.615 -5.608 133 HA SER 18 HA SER 18 -4.022 -4.131 -6.747 134 1HB SER 18 2HB SER 18 -5.250 -6.737 -7.652 135 2HB SER 18 1HB SER 18 -3.693 -6.108 -8.191 136 HG SER 18 HG SER 18 -4.338 -6.585 -5.459 137 H GLN 19 H GLN 19 -6.849 -3.197 -7.345 138 HA GLN 19 HA GLN 19 -6.590 -2.802 -10.282 139 1HB GLN 19 2HB GLN 19 -9.099 -2.773 -8.602 140 2HB GLN 19 1HB GLN 19 -9.009 -2.650 -10.354 141 1HG GLN 19 2HG GLN 19 -8.252 -4.914 -10.532 142 2HG GLN 19 1HG GLN 19 -8.111 -5.047 -8.778 143 1HE2 GLN 19 1HE2 GLN 19 -9.971 -5.125 -7.547 144 2HE2 GLN 19 2HE2 GLN 19 -11.483 -5.603 -8.221 145 H TYR 20 H TYR 20 -6.635 -1.470 -7.156 146 HA TYR 20 HA TYR 20 -7.726 1.095 -7.927 147 1HB TYR 20 2HB TYR 20 -7.168 -0.227 -5.291 148 2HB TYR 20 1HB TYR 20 -7.766 1.425 -5.402 149 HD1 TYR 20 1HD TYR 20 -8.631 -2.078 -5.576 150 HD2 TYR 20 2HD TYR 20 -9.969 1.829 -6.533 151 HE1 TYR 20 1HE TYR 20 -10.908 -2.946 -5.885 152 HE2 TYR 20 2HE TYR 20 -12.264 0.971 -6.838 153 HH TYR 20 HH TYR 20 -13.320 -1.119 -7.384 154 H ASN 21 H ASN 21 -5.291 0.480 -8.970 155 HA ASN 21 HA ASN 21 -3.283 1.978 -7.497 156 1HB ASN 21 2HB ASN 21 -1.824 1.499 -9.476 157 2HB ASN 21 1HB ASN 21 -2.466 0.049 -8.715 158 1HD2 ASN 21 1HD2 ASN 21 -2.174 -1.155 -10.578 159 2HD2 ASN 21 2HD2 ASN 21 -3.172 -0.975 -11.961 160 H GLY 22 H GLY 22 -5.814 2.659 -9.451 161 1HA GLY 22 2HA GLY 22 -6.555 4.856 -9.879 162 2HA GLY 22 1HA GLY 22 -4.895 5.400 -9.715 163 H THR 23 H THR 23 -4.460 2.966 -11.800 164 HA THR 23 HA THR 23 -4.662 4.913 -13.961 165 HB THR 23 HB THR 23 -2.505 3.761 -13.490 166 HG1 THR 23 1HG THR 23 -3.661 3.416 -16.088 167 1HG2 THR 23 1HG2 THR 23 -3.883 1.384 -14.753 168 2HG2 THR 23 2HG2 THR 23 -3.297 1.487 -13.091 169 3HG2 THR 23 3HG2 THR 23 -2.151 1.487 -14.432 170 H ASP 24 H ASP 24 -6.564 2.529 -12.788 171 HA ASP 24 HA ASP 24 -7.272 1.463 -15.337 172 1HB ASP 24 2HB ASP 24 -7.405 0.279 -13.051 173 2HB ASP 24 1HB ASP 24 -8.837 1.201 -12.769 174 H GLU 25 H GLU 25 -10.008 1.587 -15.469 175 HA GLU 25 HA GLU 25 -10.284 4.369 -15.946 176 1HB GLU 25 2HB GLU 25 -12.481 3.714 -16.994 177 2HB GLU 25 1HB GLU 25 -11.026 3.077 -17.744 178 1HG GLU 25 2HG GLU 25 -11.396 0.944 -16.734 179 2HG GLU 25 1HG GLU 25 -12.793 1.548 -15.851 180 H SER 26 H SER 26 -10.204 5.052 -13.934 181 HA SER 26 HA SER 26 -11.227 6.385 -12.429 182 1HB SER 26 2HB SER 26 -13.141 6.652 -13.936 183 2HB SER 26 1HB SER 26 -13.798 5.116 -13.356 184 HG SER 26 HG SER 26 -13.262 6.925 -11.364 185 H LYS 27 H LYS 27 -9.879 4.900 -11.289 186 HA LYS 27 HA LYS 27 -11.395 3.411 -9.283 187 1HB LYS 27 2HB LYS 27 -8.821 2.807 -10.659 188 2HB LYS 27 1HB LYS 27 -9.033 2.291 -9.000 189 1HG LYS 27 2HG LYS 27 -9.505 0.590 -10.701 190 2HG LYS 27 1HG LYS 27 -10.858 0.863 -9.610 191 1HD LYS 27 2HD LYS 27 -11.875 2.250 -11.387 192 2HD LYS 27 1HD LYS 27 -10.555 1.855 -12.470 193 1HE LYS 27 2HE LYS 27 -11.064 -0.494 -12.117 194 2HE LYS 27 1HE LYS 27 -12.520 -0.058 -11.214 195 1HZ LYS 27 1HZ LYS 27 -11.854 0.444 -14.036 196 2HZ LYS 27 2HZ LYS 27 -13.190 1.193 -13.304 197 3HZ LYS 27 3HZ LYS 27 -13.142 -0.481 -13.473 198 HA PRO 28 HA PRO 28 -9.629 6.368 -6.336 199 1HB PRO 28 2HB PRO 28 -10.272 4.064 -4.557 200 2HB PRO 28 1HB PRO 28 -10.696 5.770 -4.351 201 1HG PRO 28 2HG PRO 28 -12.545 4.012 -5.084 202 2HG PRO 28 1HG PRO 28 -12.490 5.623 -5.820 203 1HD PRO 28 2HD PRO 28 -11.608 3.002 -6.938 204 2HD PRO 28 1HD PRO 28 -12.406 4.366 -7.741 205 H ILE 29 H ILE 29 -7.640 6.319 -5.052 206 HA ILE 29 HA ILE 29 -5.948 4.070 -5.907 207 HB ILE 29 HB ILE 29 -4.974 6.843 -5.162 208 1HG1 ILE 29 2HG1 ILE 29 -5.644 5.786 -7.916 209 2HG1 ILE 29 1HG1 ILE 29 -6.581 6.995 -7.072 210 1HG2 ILE 29 1HG2 ILE 29 -3.357 4.927 -5.210 211 2HG2 ILE 29 2HG2 ILE 29 -3.022 6.144 -6.438 212 3HG2 ILE 29 3HG2 ILE 29 -3.822 4.640 -6.887 213 1HD1 ILE 29 1HD1 ILE 29 -3.724 7.304 -7.878 214 2HD1 ILE 29 2HD1 ILE 29 -4.764 8.536 -7.137 215 3HD1 ILE 29 3HD1 ILE 29 -5.132 7.896 -8.748 216 H TYR 30 H TYR 30 -5.218 2.795 -4.295 217 HA TYR 30 HA TYR 30 -4.957 3.951 -1.640 218 1HB TYR 30 2HB TYR 30 -6.694 1.605 -2.313 219 2HB TYR 30 1HB TYR 30 -6.088 1.868 -0.680 220 HD1 TYR 30 1HD TYR 30 -6.518 4.176 0.315 221 HD2 TYR 30 2HD TYR 30 -8.688 2.639 -2.987 222 HE1 TYR 30 1HE TYR 30 -8.281 5.782 0.749 223 HE2 TYR 30 2HE TYR 30 -10.491 4.275 -2.540 224 HH TYR 30 HH TYR 30 -9.949 6.881 -0.487 225 H VAL 31 H VAL 31 -3.273 3.386 -0.559 226 HA VAL 31 HA VAL 31 -1.586 1.171 -1.567 227 HB VAL 31 HB VAL 31 -0.746 3.690 -0.078 228 1HG1 VAL 31 1HG1 VAL 31 0.718 1.793 0.464 229 2HG1 VAL 31 2HG1 VAL 31 1.548 2.986 -0.548 230 3HG1 VAL 31 3HG1 VAL 31 0.953 1.494 -1.265 231 1HG2 VAL 31 1HG2 VAL 31 0.327 4.333 -2.132 232 2HG2 VAL 31 2HG2 VAL 31 -1.426 4.029 -2.378 233 3HG2 VAL 31 3HG2 VAL 31 -0.230 2.824 -2.863 234 H ALA 32 H ALA 32 -0.999 -0.344 -0.134 235 HA ALA 32 HA ALA 32 -1.875 0.103 2.611 236 1HB ALA 32 1HB ALA 32 -2.250 -2.258 2.800 237 2HB ALA 32 2HB ALA 32 -1.677 -2.521 1.161 238 3HB ALA 32 3HB ALA 32 -3.163 -1.627 1.435 239 H ILE 33 H ILE 33 -0.480 -0.101 4.161 240 HA ILE 33 HA ILE 33 2.133 -1.345 3.600 241 HB ILE 33 HB ILE 33 1.716 1.104 5.347 242 1HG1 ILE 33 2HG1 ILE 33 2.900 0.919 2.572 243 2HG1 ILE 33 1HG1 ILE 33 1.402 1.727 3.013 244 1HG2 ILE 33 1HG2 ILE 33 3.561 -0.223 6.104 245 2HG2 ILE 33 2HG2 ILE 33 4.197 1.217 5.259 246 3HG2 ILE 33 3HG2 ILE 33 4.189 -0.336 4.463 247 1HD1 ILE 33 1HD1 ILE 33 2.642 3.313 4.383 248 2HD1 ILE 33 2HD1 ILE 33 3.234 3.317 2.711 249 3HD1 ILE 33 3HD1 ILE 33 4.134 2.469 3.976 250 H LYS 34 H LYS 34 2.183 -3.104 4.807 251 HA LYS 34 HA LYS 34 2.106 -4.549 6.524 252 1HB LYS 34 2HB LYS 34 3.131 -2.331 7.644 253 2HB LYS 34 1HB LYS 34 1.614 -2.325 8.513 254 1HG LYS 34 2HG LYS 34 3.652 -4.568 8.563 255 2HG LYS 34 1HG LYS 34 3.476 -3.330 9.793 256 1HD LYS 34 2HD LYS 34 1.220 -4.166 10.275 257 2HD LYS 34 1HD LYS 34 1.416 -5.395 9.031 258 1HE LYS 34 2HE LYS 34 3.072 -5.115 11.540 259 2HE LYS 34 1HE LYS 34 1.808 -6.310 11.264 260 1HZ LYS 34 1HZ LYS 34 3.963 -7.272 10.892 261 2HZ LYS 34 2HZ LYS 34 4.390 -6.088 9.821 262 3HZ LYS 34 3HZ LYS 34 3.160 -7.190 9.417 263 H GLY 35 H GLY 35 -0.355 -3.217 5.223 264 1HA GLY 35 2HA GLY 35 -2.485 -4.372 5.391 265 2HA GLY 35 1HA GLY 35 -2.333 -4.342 7.098 266 H ARG 36 H ARG 36 -1.284 -1.379 6.731 267 HA ARG 36 HA ARG 36 -3.908 -0.292 7.158 268 1HB ARG 36 2HB ARG 36 -1.269 1.163 7.091 269 2HB ARG 36 1HB ARG 36 -2.765 1.605 7.908 270 1HG ARG 36 2HG ARG 36 -2.505 -0.244 9.441 271 2HG ARG 36 1HG ARG 36 -1.006 -0.714 8.630 272 1HD ARG 36 2HD ARG 36 -1.556 1.822 10.164 273 2HD ARG 36 1HD ARG 36 -0.446 0.529 10.610 274 HE ARG 36 HE ARG 36 -0.083 2.581 8.600 275 1HH1 ARG 36 1HH1 ARG 36 1.272 -0.360 10.109 276 2HH1 ARG 36 2HH1 ARG 36 2.879 0.006 9.618 277 1HH2 ARG 36 1HH2 ARG 36 2.150 3.008 7.979 278 2HH2 ARG 36 2HH2 ARG 36 3.351 1.862 8.437 279 H VAL 37 H VAL 37 -5.044 0.672 5.564 280 HA VAL 37 HA VAL 37 -3.680 1.237 3.054 281 HB VAL 37 HB VAL 37 -6.613 0.778 3.664 282 1HG1 VAL 37 1HG1 VAL 37 -5.353 1.728 1.104 283 2HG1 VAL 37 2HG1 VAL 37 -6.465 2.668 2.105 284 3HG1 VAL 37 3HG1 VAL 37 -7.033 1.215 1.272 285 1HG2 VAL 37 1HG2 VAL 37 -5.151 -1.153 3.309 286 2HG2 VAL 37 2HG2 VAL 37 -4.690 -0.452 1.743 287 3HG2 VAL 37 3HG2 VAL 37 -6.351 -0.969 2.019 288 H PHE 38 H PHE 38 -3.142 3.096 2.525 289 HA PHE 38 HA PHE 38 -4.111 5.512 3.900 290 1HB PHE 38 2HB PHE 38 -1.921 4.995 1.961 291 2HB PHE 38 1HB PHE 38 -2.176 6.552 2.741 292 HD1 PHE 38 1HD PHE 38 -1.286 2.990 3.370 293 HD2 PHE 38 2HD PHE 38 -1.131 6.983 4.810 294 HE1 PHE 38 1HE PHE 38 0.234 2.281 5.157 295 HE2 PHE 38 2HE PHE 38 0.402 6.270 6.597 296 HZ PHE 38 HZ PHE 38 1.083 3.923 6.770 297 H ASP 39 H ASP 39 -5.115 7.164 2.722 298 HA ASP 39 HA ASP 39 -6.064 6.464 0.061 299 1HB ASP 39 2HB ASP 39 -7.624 7.612 1.647 300 2HB ASP 39 1HB ASP 39 -6.553 9.005 1.645 301 H VAL 40 H VAL 40 -4.677 6.728 -1.527 302 HA VAL 40 HA VAL 40 -3.122 9.201 -1.519 303 HB VAL 40 HB VAL 40 -1.619 8.074 -3.223 304 1HG1 VAL 40 1HG1 VAL 40 -0.961 8.305 -0.901 305 2HG1 VAL 40 2HG1 VAL 40 -0.373 6.807 -1.608 306 3HG1 VAL 40 3HG1 VAL 40 -1.758 6.771 -0.501 307 1HG2 VAL 40 1HG2 VAL 40 -1.629 5.685 -3.354 308 2HG2 VAL 40 2HG2 VAL 40 -3.206 6.330 -3.858 309 3HG2 VAL 40 3HG2 VAL 40 -3.012 5.598 -2.263 310 H THR 41 H THR 41 -5.904 8.456 -2.456 311 HA THR 41 HA THR 41 -6.001 8.794 -5.251 312 HB THR 41 HB THR 41 -8.082 9.613 -3.191 313 HG1 THR 41 1HG THR 41 -8.225 7.577 -2.806 314 1HG2 THR 41 1HG2 THR 41 -8.342 8.772 -6.089 315 2HG2 THR 41 2HG2 THR 41 -8.540 10.410 -5.470 316 3HG2 THR 41 3HG2 THR 41 -9.685 9.150 -5.010 317 H THR 42 H THR 42 -5.816 10.931 -2.518 318 HA THR 42 HA THR 42 -6.232 13.358 -3.929 319 HB THR 42 HB THR 42 -6.608 13.213 -1.497 320 HG1 THR 42 1HG THR 42 -6.201 15.226 -1.476 321 1HG2 THR 42 1HG2 THR 42 -4.811 11.662 -0.888 322 2HG2 THR 42 2HG2 THR 42 -4.712 13.131 0.083 323 3HG2 THR 42 3HG2 THR 42 -3.608 12.893 -1.272 324 H GLY 43 H GLY 43 -3.513 11.260 -3.554 325 1HA GLY 43 2HA GLY 43 -1.674 13.294 -4.635 326 2HA GLY 43 1HA GLY 43 -1.179 11.821 -3.797 327 H LYS 44 H LYS 44 -3.607 12.229 -6.234 328 HA LYS 44 HA LYS 44 -3.175 9.871 -7.617 329 1HB LYS 44 2HB LYS 44 -5.190 11.280 -7.738 330 2HB LYS 44 1HB LYS 44 -4.290 12.441 -8.698 331 1HG LYS 44 2HG LYS 44 -3.942 10.583 -10.391 332 2HG LYS 44 1HG LYS 44 -5.085 9.653 -9.444 333 1HD LYS 44 2HD LYS 44 -6.760 11.430 -9.679 334 2HD LYS 44 1HD LYS 44 -5.520 12.303 -10.606 335 1HE LYS 44 2HE LYS 44 -5.546 10.660 -12.337 336 2HE LYS 44 1HE LYS 44 -6.667 9.641 -11.426 337 1HZ LYS 44 1HZ LYS 44 -7.785 10.926 -13.168 338 2HZ LYS 44 2HZ LYS 44 -7.274 12.366 -12.445 339 3HZ LYS 44 3HZ LYS 44 -8.340 11.354 -11.634 340 H SER 45 H SER 45 -1.727 13.014 -8.096 341 HA SER 45 HA SER 45 -0.638 12.712 -10.626 342 1HB SER 45 2HB SER 45 0.505 14.236 -8.279 343 2HB SER 45 1HB SER 45 0.908 14.498 -9.976 344 HG SER 45 HG SER 45 -1.146 15.168 -10.373 345 H PHE 46 H PHE 46 0.614 11.587 -7.509 346 HA PHE 46 HA PHE 46 3.088 10.691 -8.751 347 1HB PHE 46 2HB PHE 46 2.097 10.400 -5.913 348 2HB PHE 46 1HB PHE 46 3.677 9.902 -6.486 349 HD1 PHE 46 1HD PHE 46 5.297 11.641 -7.231 350 HD2 PHE 46 2HD PHE 46 1.638 12.620 -5.296 351 HE1 PHE 46 1HE PHE 46 6.190 13.864 -6.668 352 HE2 PHE 46 2HE PHE 46 2.521 14.841 -4.737 353 HZ PHE 46 HZ PHE 46 4.803 15.466 -5.423 354 H TYR 47 H TYR 47 0.143 9.379 -7.369 355 HA TYR 47 HA TYR 47 1.168 6.713 -7.685 356 1HB TYR 47 2HB TYR 47 -1.326 7.724 -6.344 357 2HB TYR 47 1HB TYR 47 -0.817 6.036 -6.378 358 HD1 TYR 47 1HD TYR 47 -0.027 9.377 -5.072 359 HD2 TYR 47 2HD TYR 47 1.039 5.264 -5.031 360 HE1 TYR 47 1HE TYR 47 1.428 9.788 -3.152 361 HE2 TYR 47 2HE TYR 47 2.503 5.669 -3.092 362 HH TYR 47 HH TYR 47 2.418 8.600 -1.349 363 H GLY 48 H GLY 48 -1.891 8.376 -8.854 364 1HA GLY 48 2HA GLY 48 -2.331 5.941 -10.446 365 2HA GLY 48 1HA GLY 48 -3.533 7.100 -9.962 366 H SER 49 H SER 49 -0.520 8.190 -11.290 367 HA SER 49 HA SER 49 -1.970 8.839 -13.777 368 1HB SER 49 2HB SER 49 -0.012 10.620 -12.319 369 2HB SER 49 1HB SER 49 -0.877 11.009 -13.813 370 HG SER 49 HG SER 49 -1.950 10.528 -11.250 371 H GLY 50 H GLY 50 0.090 6.732 -12.921 372 1HA GLY 50 2HA GLY 50 1.848 5.668 -13.963 373 2HA GLY 50 1HA GLY 50 1.753 6.876 -15.249 374 H GLY 51 H GLY 51 2.415 6.928 -11.806 375 1HA GLY 51 2HA GLY 51 4.592 8.826 -12.332 376 2HA GLY 51 1HA GLY 51 3.660 8.745 -10.841 377 H ASP 52 H ASP 52 5.892 8.704 -10.010 378 HA ASP 52 HA ASP 52 7.584 6.462 -10.463 379 1HB ASP 52 2HB ASP 52 8.381 8.702 -9.775 380 2HB ASP 52 1HB ASP 52 7.628 8.467 -8.205 381 H TYR 53 H TYR 53 4.815 6.840 -8.525 382 HA TYR 53 HA TYR 53 5.662 4.632 -6.791 383 1HB TYR 53 2HB TYR 53 3.838 6.944 -6.110 384 2HB TYR 53 1HB TYR 53 4.145 5.568 -5.057 385 HD1 TYR 53 1HD TYR 53 6.363 5.267 -4.028 386 HD2 TYR 53 2HD TYR 53 5.466 8.698 -6.375 387 HE1 TYR 53 1HE TYR 53 8.346 6.399 -3.121 388 HE2 TYR 53 2HE TYR 53 7.448 9.841 -5.472 389 HH TYR 53 HH TYR 53 8.929 9.738 -3.548 390 H SER 54 H SER 54 4.152 4.784 -9.397 391 HA SER 54 HA SER 54 1.470 4.230 -9.068 392 1HB SER 54 2HB SER 54 3.475 3.695 -11.126 393 2HB SER 54 1HB SER 54 1.854 3.075 -11.358 394 HG SER 54 HG SER 54 1.308 5.381 -10.682 395 H MET 55 H MET 55 4.146 2.041 -8.656 396 HA MET 55 HA MET 55 2.383 -0.225 -8.903 397 1HB MET 55 2HB MET 55 5.256 -0.117 -8.021 398 2HB MET 55 1HB MET 55 4.329 -1.590 -8.326 399 1HG MET 55 2HG MET 55 4.902 0.578 -10.228 400 2HG MET 55 1HG MET 55 5.708 -0.942 -10.284 401 1HE MET 55 1HE MET 55 5.080 -1.480 -12.774 402 2HE MET 55 2HE MET 55 4.297 0.097 -12.898 403 3HE MET 55 3HE MET 55 3.452 -1.355 -13.436 404 H PHE 56 H PHE 56 3.463 1.808 -6.438 405 HA PHE 56 HA PHE 56 2.787 0.052 -4.239 406 1HB PHE 56 2HB PHE 56 3.272 3.049 -4.301 407 2HB PHE 56 1HB PHE 56 3.222 2.042 -2.867 408 HD1 PHE 56 1HD PHE 56 5.139 0.817 -2.181 409 HD2 PHE 56 2HD PHE 56 5.157 2.895 -5.876 410 HE1 PHE 56 1HE PHE 56 7.559 0.508 -2.327 411 HE2 PHE 56 2HE PHE 56 7.593 2.600 -6.045 412 HZ PHE 56 HZ PHE 56 8.805 1.400 -4.263 413 H ALA 57 H ALA 57 1.413 2.371 -6.295 414 HA ALA 57 HA ALA 57 -0.487 3.740 -4.926 415 1HB ALA 57 1HB ALA 57 -0.683 2.841 -7.760 416 2HB ALA 57 2HB ALA 57 0.248 4.220 -7.173 417 3HB ALA 57 3HB ALA 57 -1.514 4.205 -7.023 418 H GLY 58 H GLY 58 -0.902 0.403 -5.975 419 1HA GLY 58 2HA GLY 58 -3.575 0.607 -4.789 420 2HA GLY 58 1HA GLY 58 -3.476 0.053 -6.444 421 H LYS 59 H LYS 59 -0.951 -0.969 -4.143 422 HA LYS 59 HA LYS 59 -2.418 -3.336 -3.649 423 1HB LYS 59 2HB LYS 59 -1.176 -3.493 -5.739 424 2HB LYS 59 1HB LYS 59 0.271 -3.016 -4.896 425 1HG LYS 59 2HG LYS 59 0.218 -4.998 -3.573 426 2HG LYS 59 1HG LYS 59 -1.299 -5.490 -4.343 427 1HD LYS 59 2HD LYS 59 1.253 -4.946 -5.806 428 2HD LYS 59 1HD LYS 59 0.669 -6.495 -5.194 429 1HE LYS 59 2HE LYS 59 -1.248 -6.430 -6.664 430 2HE LYS 59 1HE LYS 59 -0.910 -4.770 -7.123 431 1HZ LYS 59 1HZ LYS 59 1.081 -5.504 -8.216 432 2HZ LYS 59 2HZ LYS 59 -0.267 -6.299 -8.846 433 3HZ LYS 59 3HZ LYS 59 0.773 -7.117 -7.801 434 H ASP 60 H ASP 60 -1.308 -4.422 -1.805 435 HA ASP 60 HA ASP 60 -0.118 -2.596 0.033 436 1HB ASP 60 2HB ASP 60 -1.344 -4.655 0.774 437 2HB ASP 60 1HB ASP 60 -0.057 -5.622 0.069 438 H ALA 61 H ALA 61 1.875 -2.048 0.205 439 HA ALA 61 HA ALA 61 3.752 -3.348 -1.646 440 1HB ALA 61 1HB ALA 61 3.040 -1.148 -2.343 441 2HB ALA 61 2HB ALA 61 4.756 -1.163 -1.936 442 3HB ALA 61 3HB ALA 61 3.587 -0.469 -0.811 443 H SER 62 H SER 62 3.400 -4.116 1.181 444 HA SER 62 HA SER 62 5.155 -2.833 2.894 445 1HB SER 62 2HB SER 62 4.413 -5.761 2.871 446 2HB SER 62 1HB SER 62 5.169 -4.916 4.225 447 HG SER 62 HG SER 62 2.629 -4.488 3.056 448 H ARG 63 H ARG 63 6.017 -5.792 0.903 449 HA ARG 63 HA ARG 63 8.684 -5.570 1.662 450 1HB ARG 63 2HB ARG 63 8.037 -7.712 1.086 451 2HB ARG 63 1HB ARG 63 7.159 -7.174 -0.329 452 1HG ARG 63 2HG ARG 63 9.202 -6.818 -1.493 453 2HG ARG 63 1HG ARG 63 10.144 -7.138 -0.041 454 1HD ARG 63 2HD ARG 63 9.978 -8.907 -1.708 455 2HD ARG 63 1HD ARG 63 9.572 -9.422 -0.064 456 HE ARG 63 HE ARG 63 7.199 -9.132 -0.889 457 1HH1 ARG 63 1HH1 ARG 63 9.782 -9.773 -3.251 458 2HH1 ARG 63 2HH1 ARG 63 8.852 -10.838 -4.175 459 1HH2 ARG 63 1HH2 ARG 63 5.891 -10.647 -2.252 460 2HH2 ARG 63 2HH2 ARG 63 6.628 -11.304 -3.627 461 H ALA 64 H ALA 64 6.833 -4.110 -0.837 462 HA ALA 64 HA ALA 64 8.956 -3.654 -2.688 463 1HB ALA 64 1HB ALA 64 6.692 -3.724 -3.495 464 2HB ALA 64 2HB ALA 64 7.351 -2.108 -3.790 465 3HB ALA 64 3HB ALA 64 6.238 -2.386 -2.446 466 H LEU 65 H LEU 65 7.424 -1.961 -0.110 467 HA LEU 65 HA LEU 65 8.806 0.471 -0.294 468 1HB LEU 65 2HB LEU 65 7.510 -1.039 1.888 469 2HB LEU 65 1HB LEU 65 8.313 0.472 2.196 470 HG LEU 65 HG LEU 65 5.912 0.018 0.417 471 1HD1 LEU 65 1HD1 LEU 65 5.428 -0.031 2.796 472 2HD1 LEU 65 2HD1 LEU 65 4.798 1.438 2.046 473 3HD1 LEU 65 3HD1 LEU 65 6.250 1.510 3.021 474 1HD2 LEU 65 1HD2 LEU 65 7.297 1.743 -0.535 475 2HD2 LEU 65 2HD2 LEU 65 7.487 2.415 1.082 476 3HD2 LEU 65 3HD2 LEU 65 5.903 2.499 0.293 477 H GLY 66 H GLY 66 9.589 -2.463 1.460 478 1HA GLY 66 2HA GLY 66 11.928 -1.353 2.581 479 2HA GLY 66 1HA GLY 66 11.579 -3.065 2.487 480 H LYS 67 H LYS 67 11.258 -2.741 -0.490 481 HA LYS 67 HA LYS 67 14.096 -3.063 -1.122 482 1HB LYS 67 2HB LYS 67 11.667 -3.652 -2.796 483 2HB LYS 67 1HB LYS 67 13.312 -4.127 -3.159 484 1HG LYS 67 2HG LYS 67 11.673 -5.041 -0.837 485 2HG LYS 67 1HG LYS 67 11.913 -6.005 -2.271 486 1HD LYS 67 2HD LYS 67 13.962 -5.145 -0.188 487 2HD LYS 67 1HD LYS 67 13.401 -6.777 -0.535 488 1HE LYS 67 2HE LYS 67 14.450 -6.668 -2.730 489 2HE LYS 67 1HE LYS 67 14.994 -5.033 -2.352 490 1HZ LYS 67 1HZ LYS 67 16.772 -6.637 -1.935 491 2HZ LYS 67 2HZ LYS 67 15.773 -7.484 -0.886 492 3HZ LYS 67 3HZ LYS 67 16.263 -5.922 -0.478 493 H MET 68 H MET 68 11.593 -0.778 -1.458 494 HA MET 68 HA MET 68 11.202 1.079 -2.685 495 1HB MET 68 2HB MET 68 14.173 0.946 -3.345 496 2HB MET 68 1HB MET 68 13.138 2.351 -3.561 497 1HG MET 68 2HG MET 68 12.749 2.322 -1.076 498 2HG MET 68 1HG MET 68 13.949 1.057 -0.986 499 1HE MET 68 1HE MET 68 14.042 4.204 -3.392 500 2HE MET 68 2HE MET 68 14.939 5.347 -2.391 501 3HE MET 68 3HE MET 68 13.328 4.826 -1.903 502 H SER 69 H SER 69 10.723 -1.356 -3.731 503 HA SER 69 HA SER 69 11.674 -1.516 -6.512 504 1HB SER 69 2HB SER 69 11.939 -3.492 -5.213 505 2HB SER 69 1HB SER 69 10.239 -3.479 -4.716 506 HG SER 69 HG SER 69 10.830 -4.921 -6.432 507 H LYS 70 H LYS 70 10.591 -1.606 -8.146 508 HA LYS 70 HA LYS 70 7.819 -0.647 -8.062 509 1HB LYS 70 2HB LYS 70 10.034 -0.207 -10.010 510 2HB LYS 70 1HB LYS 70 8.375 0.339 -10.221 511 1HG LYS 70 2HG LYS 70 8.490 1.835 -8.477 512 2HG LYS 70 1HG LYS 70 9.915 1.022 -7.801 513 1HD LYS 70 2HD LYS 70 11.299 1.835 -9.384 514 2HD LYS 70 1HD LYS 70 9.985 2.140 -10.508 515 1HE LYS 70 2HE LYS 70 9.253 4.025 -9.019 516 2HE LYS 70 1HE LYS 70 10.611 3.658 -7.956 517 1HZ LYS 70 1HZ LYS 70 11.027 5.537 -9.457 518 2HZ LYS 70 2HZ LYS 70 10.886 4.519 -10.789 519 3HZ LYS 70 3HZ LYS 70 12.130 4.284 -9.683 520 H ASN 71 H ASN 71 9.820 -3.161 -8.781 521 HA ASN 71 HA ASN 71 8.162 -4.156 -10.894 522 1HB ASN 71 2HB ASN 71 9.415 -6.368 -10.633 523 2HB ASN 71 1HB ASN 71 10.420 -4.999 -11.065 524 1HD2 ASN 71 1HD2 ASN 71 9.565 -7.246 -8.534 525 2HD2 ASN 71 2HD2 ASN 71 10.912 -6.908 -7.519 526 H GLU 72 H GLU 72 6.473 -5.332 -10.766 527 HA GLU 72 HA GLU 72 4.879 -5.117 -8.490 528 1HB GLU 72 2HB GLU 72 4.477 -6.942 -10.847 529 2HB GLU 72 1HB GLU 72 3.236 -6.408 -9.722 530 1HG GLU 72 2HG GLU 72 3.550 -4.105 -10.420 531 2HG GLU 72 1HG GLU 72 4.832 -4.599 -11.518 532 H GLU 73 H GLU 73 7.092 -7.497 -9.309 533 HA GLU 73 HA GLU 73 6.129 -9.767 -7.977 534 1HB GLU 73 2HB GLU 73 9.000 -8.942 -8.211 535 2HB GLU 73 1HB GLU 73 8.372 -10.565 -7.997 536 1HG GLU 73 2HG GLU 73 7.296 -10.398 -10.211 537 2HG GLU 73 1HG GLU 73 8.054 -8.820 -10.414 538 H ASP 74 H ASP 74 7.909 -6.930 -6.741 539 HA ASP 74 HA ASP 74 8.085 -8.203 -4.129 540 1HB ASP 74 2HB ASP 74 9.207 -5.574 -5.095 541 2HB ASP 74 1HB ASP 74 9.340 -6.130 -3.435 542 H VAL 75 H VAL 75 6.093 -6.094 -5.805 543 HA VAL 75 HA VAL 75 5.057 -4.746 -3.474 544 HB VAL 75 HB VAL 75 3.661 -5.043 -6.152 545 1HG1 VAL 75 1HG1 VAL 75 2.342 -4.009 -4.374 546 2HG1 VAL 75 2HG1 VAL 75 2.768 -2.833 -5.641 547 3HG1 VAL 75 3HG1 VAL 75 3.634 -2.828 -4.122 548 1HG2 VAL 75 1HG2 VAL 75 5.933 -4.307 -6.644 549 2HG2 VAL 75 2HG2 VAL 75 5.766 -2.987 -5.483 550 3HG2 VAL 75 3HG2 VAL 75 4.768 -3.015 -6.937 551 H SER 76 H SER 76 4.167 -6.005 -2.000 552 HA SER 76 HA SER 76 2.237 -8.016 -2.707 553 1HB SER 76 2HB SER 76 4.378 -9.136 -3.115 554 2HB SER 76 1HB SER 76 4.956 -8.646 -1.533 555 HG SER 76 HG SER 76 3.305 -10.725 -2.256 556 HA PRO 77 HA PRO 77 0.787 -6.792 1.395 557 1HB PRO 77 2HB PRO 77 -0.750 -8.952 1.946 558 2HB PRO 77 1HB PRO 77 -1.213 -7.748 0.740 559 1HG PRO 77 2HG PRO 77 0.120 -10.403 0.341 560 2HG PRO 77 1HG PRO 77 -1.264 -9.714 -0.531 561 1HD PRO 77 2HD PRO 77 1.209 -9.653 -1.543 562 2HD PRO 77 1HD PRO 77 0.077 -8.307 -1.782 563 H SER 78 H SER 78 3.385 -7.841 1.460 564 HA SER 78 HA SER 78 3.558 -8.679 4.149 565 1HB SER 78 2HB SER 78 2.924 -10.876 3.077 566 2HB SER 78 1HB SER 78 4.356 -10.687 2.060 567 HG SER 78 HG SER 78 4.167 -11.265 4.782 568 H LEU 79 H LEU 79 5.839 -8.941 4.724 569 HA LEU 79 HA LEU 79 7.510 -7.537 2.860 570 1HB LEU 79 2HB LEU 79 9.018 -7.249 5.050 571 2HB LEU 79 1HB LEU 79 7.752 -6.124 4.626 572 HG LEU 79 HG LEU 79 7.368 -8.367 6.637 573 1HD1 LEU 79 1HD1 LEU 79 9.156 -6.807 7.368 574 2HD1 LEU 79 2HD1 LEU 79 7.676 -6.620 8.318 575 3HD1 LEU 79 3HD1 LEU 79 8.061 -5.457 7.056 576 1HD2 LEU 79 1HD2 LEU 79 5.911 -5.800 6.082 577 2HD2 LEU 79 2HD2 LEU 79 5.438 -7.010 7.299 578 3HD2 LEU 79 3HD2 LEU 79 5.377 -7.390 5.562 579 H GLU 80 H GLU 80 6.796 -10.412 3.322 580 HA GLU 80 HA GLU 80 7.600 -12.315 2.726 581 1HB GLU 80 2HB GLU 80 8.293 -11.117 0.802 582 2HB GLU 80 1HB GLU 80 9.822 -10.694 1.543 583 1HG GLU 80 2HG GLU 80 10.170 -12.480 -0.028 584 2HG GLU 80 1HG GLU 80 10.396 -12.979 1.666 585 H GLY 81 H GLY 81 10.895 -11.220 3.031 586 1HA GLY 81 2HA GLY 81 11.086 -12.374 5.564 587 2HA GLY 81 1HA GLY 81 11.935 -13.310 4.327 588 H LEU 82 H LEU 82 11.491 -9.862 4.514 589 HA LEU 82 HA LEU 82 14.101 -9.189 3.898 590 1HB LEU 82 2HB LEU 82 11.814 -7.681 5.118 591 2HB LEU 82 1HB LEU 82 13.292 -6.927 4.543 592 HG LEU 82 HG LEU 82 11.524 -8.584 2.752 593 1HD1 LEU 82 1HD1 LEU 82 10.263 -6.698 3.566 594 2HD1 LEU 82 2HD1 LEU 82 10.709 -6.543 1.870 595 3HD1 LEU 82 3HD1 LEU 82 11.581 -5.589 3.099 596 1HD2 LEU 82 1HD2 LEU 82 13.499 -6.489 2.253 597 2HD2 LEU 82 2HD2 LEU 82 12.736 -7.557 1.034 598 3HD2 LEU 82 3HD2 LEU 82 13.910 -8.194 2.218 599 H THR 83 H THR 83 15.765 -8.639 5.113 600 HA THR 83 HA THR 83 15.656 -9.341 7.884 601 HB THR 83 HB THR 83 17.627 -9.984 6.471 602 HG1 THR 83 1HG THR 83 18.174 -9.932 8.537 603 1HG2 THR 83 1HG2 THR 83 18.193 -7.018 6.449 604 2HG2 THR 83 2HG2 THR 83 17.732 -7.988 5.051 605 3HG2 THR 83 3HG2 THR 83 19.277 -8.275 5.856 606 H GLU 84 H GLU 84 16.978 -7.651 9.339 607 HA GLU 84 HA GLU 84 15.264 -5.521 9.785 608 1HB GLU 84 2HB GLU 84 16.801 -6.424 11.485 609 2HB GLU 84 1HB GLU 84 18.155 -5.688 10.644 610 1HG GLU 84 2HG GLU 84 17.208 -3.481 11.039 611 2HG GLU 84 1HG GLU 84 15.849 -4.210 11.873 612 H LYS 85 H LYS 85 18.339 -5.495 8.060 613 HA LYS 85 HA LYS 85 18.778 -2.814 7.482 614 1HB LYS 85 2HB LYS 85 20.270 -4.629 6.799 615 2HB LYS 85 1HB LYS 85 19.061 -5.205 5.672 616 1HG LYS 85 2HG LYS 85 19.240 -2.938 4.540 617 2HG LYS 85 1HG LYS 85 20.702 -2.699 5.500 618 1HD LYS 85 2HD LYS 85 20.136 -4.967 3.631 619 2HD LYS 85 1HD LYS 85 21.188 -3.597 3.259 620 1HE LYS 85 2HE LYS 85 22.681 -4.233 5.112 621 2HE LYS 85 1HE LYS 85 21.638 -5.604 5.483 622 1HZ LYS 85 1HZ LYS 85 22.167 -6.540 3.308 623 2HZ LYS 85 2HZ LYS 85 23.557 -6.278 4.201 624 3HZ LYS 85 3HZ LYS 85 23.153 -5.216 2.959 625 H GLU 86 H GLU 86 16.968 -5.166 5.626 626 HA GLU 86 HA GLU 86 16.128 -3.499 3.536 627 1HB GLU 86 2HB GLU 86 15.174 -6.060 4.652 628 2HB GLU 86 1HB GLU 86 14.544 -5.376 3.176 629 1HG GLU 86 2HG GLU 86 17.352 -6.339 3.766 630 2HG GLU 86 1HG GLU 86 16.194 -7.096 2.674 631 H ILE 87 H ILE 87 14.525 -4.837 6.333 632 HA ILE 87 HA ILE 87 12.013 -3.837 5.893 633 HB ILE 87 HB ILE 87 13.503 -4.685 8.282 634 1HG1 ILE 87 2HG1 ILE 87 11.235 -5.963 6.780 635 2HG1 ILE 87 1HG1 ILE 87 12.927 -6.415 6.739 636 1HG2 ILE 87 1HG2 ILE 87 11.337 -4.729 9.554 637 2HG2 ILE 87 2HG2 ILE 87 10.596 -3.940 8.145 638 3HG2 ILE 87 3HG2 ILE 87 11.830 -3.087 9.084 639 1HD1 ILE 87 1HD1 ILE 87 12.827 -7.047 9.093 640 2HD1 ILE 87 2HD1 ILE 87 11.655 -7.950 8.130 641 3HD1 ILE 87 3HD1 ILE 87 11.123 -6.604 9.145 642 H ASN 88 H ASN 88 14.794 -2.354 7.509 643 HA ASN 88 HA ASN 88 13.754 -0.150 8.841 644 1HB ASN 88 2HB ASN 88 16.253 -0.362 7.199 645 2HB ASN 88 1HB ASN 88 15.870 1.084 8.103 646 1HD2 ASN 88 1HD2 ASN 88 18.134 -0.694 8.345 647 2HD2 ASN 88 2HD2 ASN 88 18.104 -1.328 9.957 648 H THR 89 H THR 89 14.360 -0.553 5.449 649 HA THR 89 HA THR 89 13.950 2.075 4.636 650 HB THR 89 HB THR 89 13.663 -0.545 3.197 651 HG1 THR 89 1HG THR 89 15.770 1.064 3.998 652 1HG2 THR 89 1HG2 THR 89 14.044 2.248 2.176 653 2HG2 THR 89 2HG2 THR 89 12.580 1.233 2.035 654 3HG2 THR 89 3HG2 THR 89 14.062 0.766 1.189 655 H LEU 90 H LEU 90 11.733 -0.656 4.930 656 HA LEU 90 HA LEU 90 9.510 0.727 3.740 657 1HB LEU 90 2HB LEU 90 8.965 -1.369 3.482 658 2HB LEU 90 1HB LEU 90 10.095 -1.963 4.634 659 HG LEU 90 HG LEU 90 8.153 -1.004 6.239 660 1HD1 LEU 90 1HD1 LEU 90 6.684 -1.742 3.782 661 2HD1 LEU 90 2HD1 LEU 90 6.772 -0.167 4.577 662 3HD1 LEU 90 3HD1 LEU 90 5.978 -1.522 5.384 663 1HD2 LEU 90 1HD2 LEU 90 8.142 -3.666 4.896 664 2HD2 LEU 90 2HD2 LEU 90 7.277 -3.251 6.397 665 3HD2 LEU 90 3HD2 LEU 90 9.058 -3.204 6.337 666 H ASN 91 H ASN 91 10.712 -0.032 6.888 667 HA ASN 91 HA ASN 91 8.613 0.926 8.442 668 1HB ASN 91 2HB ASN 91 11.534 0.576 8.868 669 2HB ASN 91 1HB ASN 91 10.581 1.363 10.100 670 1HD2 ASN 91 1HD2 ASN 91 9.224 -1.161 8.120 671 2HD2 ASN 91 2HD2 ASN 91 9.185 -2.385 9.329 672 H ASP 92 H ASP 92 11.384 2.566 7.072 673 HA ASP 92 HA ASP 92 10.863 5.170 7.986 674 1HB ASP 92 2HB ASP 92 12.945 4.594 6.928 675 2HB ASP 92 1HB ASP 92 12.122 4.140 5.444 676 H TRP 93 H TRP 93 9.946 3.507 5.020 677 HA TRP 93 HA TRP 93 8.351 5.474 3.867 678 1HB TRP 93 2HB TRP 93 8.499 2.565 3.630 679 2HB TRP 93 1HB TRP 93 7.205 3.360 2.783 680 HD1 TRP 93 HD TRP 93 10.540 2.139 2.200 681 HE1 TRP 93 1HE TRP 93 11.738 3.327 0.275 682 HE3 TRP 93 3HE TRP 93 7.475 6.196 1.729 683 HZ2 TRP 93 2HZ TRP 93 11.432 5.683 -1.260 684 HZ3 TRP 93 3HZ TRP 93 7.997 7.871 0.008 685 HH2 TRP 93 HH TRP 93 9.936 7.616 -1.455 686 H GLU 94 H GLU 94 7.373 3.067 6.183 687 HA GLU 94 HA GLU 94 4.632 3.462 6.172 688 1HB GLU 94 2HB GLU 94 6.439 3.155 8.552 689 2HB GLU 94 1HB GLU 94 4.696 2.987 8.605 690 1HG GLU 94 2HG GLU 94 4.851 1.101 7.108 691 2HG GLU 94 1HG GLU 94 6.612 1.216 7.080 692 H THR 95 H THR 95 7.050 5.165 7.930 693 HA THR 95 HA THR 95 5.531 7.098 9.284 694 HB THR 95 HB THR 95 8.376 7.239 8.338 695 HG1 THR 95 1HG THR 95 7.002 5.760 10.223 696 1HG2 THR 95 1HG2 THR 95 8.709 8.652 10.366 697 2HG2 THR 95 2HG2 THR 95 6.978 8.558 10.699 698 3HG2 THR 95 3HG2 THR 95 7.554 9.377 9.246 699 H LYS 96 H LYS 96 6.803 6.997 6.048 700 HA LYS 96 HA LYS 96 6.763 9.831 5.607 701 1HB LYS 96 2HB LYS 96 7.066 7.485 3.726 702 2HB LYS 96 1HB LYS 96 7.299 9.171 3.270 703 1HG LYS 96 2HG LYS 96 8.814 7.850 5.466 704 2HG LYS 96 1HG LYS 96 9.459 7.828 3.854 705 1HD LYS 96 2HD LYS 96 9.343 10.350 3.897 706 2HD LYS 96 1HD LYS 96 8.822 10.235 5.576 707 1HE LYS 96 2HE LYS 96 11.221 10.701 5.433 708 2HE LYS 96 1HE LYS 96 10.910 9.122 6.150 709 1HZ LYS 96 1HZ LYS 96 12.738 9.191 4.523 710 2HZ LYS 96 2HZ LYS 96 11.631 9.465 3.276 711 3HZ LYS 96 3HZ LYS 96 11.573 8.050 4.209 712 H PHE 97 H PHE 97 4.895 7.056 4.734 713 HA PHE 97 HA PHE 97 2.816 8.492 3.469 714 1HB PHE 97 2HB PHE 97 3.162 5.753 4.542 715 2HB PHE 97 1HB PHE 97 1.593 6.268 3.988 716 HD1 PHE 97 1HD PHE 97 5.119 5.751 2.933 717 HD2 PHE 97 2HD PHE 97 1.088 6.256 1.673 718 HE1 PHE 97 1HE PHE 97 5.760 5.115 0.648 719 HE2 PHE 97 2HE PHE 97 1.722 5.623 -0.614 720 HZ PHE 97 HZ PHE 97 4.061 5.050 -1.130 721 H GLU 98 H GLU 98 3.268 7.142 6.710 722 HA GLU 98 HA GLU 98 0.820 7.750 7.864 723 1HB GLU 98 2HB GLU 98 3.537 7.242 8.783 724 2HB GLU 98 1HB GLU 98 2.552 7.879 10.041 725 1HG GLU 98 2HG GLU 98 2.137 5.344 8.435 726 2HG GLU 98 1HG GLU 98 2.587 5.455 10.131 727 H ALA 99 H ALA 99 3.414 9.971 7.126 728 HA ALA 99 HA ALA 99 2.209 12.018 8.823 729 1HB ALA 99 1HB ALA 99 4.689 12.033 7.160 730 2HB ALA 99 2HB ALA 99 4.646 11.704 8.903 731 3HB ALA 99 3HB ALA 99 4.191 13.302 8.271 732 H LYS 100 H LYS 100 1.488 10.841 5.882 733 HA LYS 100 HA LYS 100 1.268 13.538 4.713 734 1HB LYS 100 2HB LYS 100 3.178 11.943 3.935 735 2HB LYS 100 1HB LYS 100 1.881 11.115 3.102 736 1HG LYS 100 2HG LYS 100 2.737 12.509 1.486 737 2HG LYS 100 1HG LYS 100 1.348 13.406 2.129 738 1HD LYS 100 2HD LYS 100 4.128 13.770 3.112 739 2HD LYS 100 1HD LYS 100 3.522 14.758 1.762 740 1HE LYS 100 2HE LYS 100 1.723 15.529 3.453 741 2HE LYS 100 1HE LYS 100 2.683 14.672 4.667 742 1HZ LYS 100 1HZ LYS 100 3.194 16.998 4.618 743 2HZ LYS 100 2HZ LYS 100 3.660 16.912 3.010 744 3HZ LYS 100 3HZ LYS 100 4.545 16.084 4.195 745 H TYR 101 H TYR 101 0.208 10.188 4.688 746 HA TYR 101 HA TYR 101 -2.399 11.063 3.673 747 1HB TYR 101 2HB TYR 101 -0.980 8.449 3.150 748 2HB TYR 101 1HB TYR 101 -2.542 8.950 2.516 749 HD1 TYR 101 1HD TYR 101 0.965 8.844 1.952 750 HD2 TYR 101 2HD TYR 101 -2.539 11.046 0.960 751 HE1 TYR 101 1HE TYR 101 2.116 9.784 0.003 752 HE2 TYR 101 2HE TYR 101 -1.390 11.990 -1.001 753 HH TYR 101 HH TYR 101 0.980 12.426 -1.702 754 HA PRO 102 HA PRO 102 -3.653 8.988 7.408 755 1HB PRO 102 2HB PRO 102 -6.291 9.238 7.142 756 2HB PRO 102 1HB PRO 102 -5.277 10.658 7.442 757 1HG PRO 102 2HG PRO 102 -6.460 9.679 4.875 758 2HG PRO 102 1HG PRO 102 -6.356 11.333 5.494 759 1HD PRO 102 2HD PRO 102 -4.599 10.296 3.648 760 2HD PRO 102 1HD PRO 102 -4.214 11.600 4.798 761 H VAL 103 H VAL 103 -4.022 6.935 7.859 762 HA VAL 103 HA VAL 103 -4.826 5.173 5.754 763 HB VAL 103 HB VAL 103 -4.696 3.255 7.366 764 1HG1 VAL 103 1HG1 VAL 103 -2.825 3.792 6.049 765 2HG1 VAL 103 2HG1 VAL 103 -2.227 3.430 7.683 766 3HG1 VAL 103 3HG1 VAL 103 -2.374 5.087 7.133 767 1HG2 VAL 103 1HG2 VAL 103 -5.168 4.432 9.492 768 2HG2 VAL 103 2HG2 VAL 103 -3.600 5.273 9.326 769 3HG2 VAL 103 3HG2 VAL 103 -3.655 3.520 9.480 770 H VAL 104 H VAL 104 -6.614 4.977 5.080 771 HA VAL 104 HA VAL 104 -8.913 5.495 6.858 772 HB VAL 104 HB VAL 104 -10.225 6.043 4.851 773 1HG1 VAL 104 1HG1 VAL 104 -9.054 7.844 5.987 774 2HG1 VAL 104 2HG1 VAL 104 -9.081 8.136 4.248 775 3HG1 VAL 104 3HG1 VAL 104 -7.614 7.536 5.019 776 1HG2 VAL 104 1HG2 VAL 104 -9.137 6.272 2.669 777 2HG2 VAL 104 2HG2 VAL 104 -9.090 4.601 3.236 778 3HG2 VAL 104 3HG2 VAL 104 -7.646 5.610 3.338 779 H GLY 105 H GLY 105 -7.307 2.942 5.707 780 1HA GLY 105 2HA GLY 105 -9.617 1.232 5.932 781 2HA GLY 105 1HA GLY 105 -8.894 1.304 4.346 782 H ARG 106 H ARG 106 -8.788 -0.999 5.001 783 HA ARG 106 HA ARG 106 -6.071 -1.519 5.972 784 1HB ARG 106 2HB ARG 106 -6.799 -3.612 6.967 785 2HB ARG 106 1HB ARG 106 -7.572 -2.313 7.804 786 1HG ARG 106 2HG ARG 106 -9.639 -2.739 6.765 787 2HG ARG 106 1HG ARG 106 -8.877 -3.888 5.650 788 1HD ARG 106 2HD ARG 106 -10.003 -5.026 7.485 789 2HD ARG 106 1HD ARG 106 -8.237 -5.264 7.389 790 HE ARG 106 HE ARG 106 -9.209 -3.175 9.152 791 1HH1 ARG 106 1HH1 ARG 106 -8.137 -6.561 8.992 792 2HH1 ARG 106 2HH1 ARG 106 -7.648 -6.655 10.606 793 1HH2 ARG 106 1HH2 ARG 106 -8.567 -3.311 11.421 794 2HH2 ARG 106 2HH2 ARG 106 -7.911 -4.753 12.043 795 H VAL 107 H VAL 107 -5.186 -3.309 5.036 796 HA VAL 107 HA VAL 107 -6.816 -4.453 2.939 797 HB VAL 107 HB VAL 107 -4.662 -3.427 2.095 798 1HG1 VAL 107 1HG1 VAL 107 -2.610 -4.705 2.436 799 2HG1 VAL 107 2HG1 VAL 107 -3.438 -5.601 3.726 800 3HG1 VAL 107 3HG1 VAL 107 -3.229 -3.830 3.833 801 1HG2 VAL 107 1HG2 VAL 107 -5.048 -6.336 1.887 802 2HG2 VAL 107 2HG2 VAL 107 -4.118 -5.378 0.696 803 3HG2 VAL 107 3HG2 VAL 107 -5.878 -5.127 0.929 804 H VAL 108 H VAL 108 -7.175 -6.477 2.976 805 HA VAL 108 HA VAL 108 -6.057 -8.006 5.174 806 HB VAL 108 HB VAL 108 -8.274 -9.229 5.217 807 1HG1 VAL 108 1HG1 VAL 108 -7.694 -7.329 6.669 808 2HG1 VAL 108 2HG1 VAL 108 -9.459 -7.304 6.213 809 3HG1 VAL 108 3HG1 VAL 108 -8.301 -6.288 5.377 810 1HG2 VAL 108 1HG2 VAL 108 -10.160 -8.205 4.164 811 2HG2 VAL 108 2HG2 VAL 108 -8.945 -8.478 2.867 812 3HG2 VAL 108 3HG2 VAL 108 -9.119 -6.891 3.681 813 H SER 109 H SER 109 -5.247 -9.922 4.679 814 HA SER 109 HA SER 109 -5.723 -10.959 2.057 815 1HB SER 109 2HB SER 109 -3.933 -9.411 1.726 816 2HB SER 109 1HB SER 109 -3.088 -10.027 3.140 817 HG SER 109 HG SER 109 -3.717 -11.734 0.976 Start of MODEL 10 1 1H MET 1 1HT MET 1 -15.059 -4.671 -9.009 2 2H MET 1 2HT MET 1 -16.727 -4.507 -9.057 3 3H MET 1 3HT MET 1 -16.024 -5.883 -9.674 4 HA MET 1 HA MET 1 -17.071 -6.330 -7.576 5 1HB MET 1 2HB MET 1 -14.057 -6.341 -7.382 6 2HB MET 1 1HB MET 1 -15.123 -7.192 -6.282 7 1HG MET 1 2HG MET 1 -15.919 -8.569 -8.131 8 2HG MET 1 1HG MET 1 -14.842 -7.706 -9.232 9 1HE MET 1 1HE MET 1 -13.837 -10.061 -9.988 10 2HE MET 1 2HE MET 1 -14.882 -10.908 -8.846 11 3HE MET 1 3HE MET 1 -13.151 -11.240 -8.871 12 H GLY 2 H GLY 2 -14.707 -3.675 -7.367 13 1HA GLY 2 2HA GLY 2 -15.427 -3.294 -4.603 14 2HA GLY 2 1HA GLY 2 -14.138 -2.481 -5.478 15 H HIS 3 H HIS 3 -16.589 -1.684 -3.820 16 HA HIS 3 HA HIS 3 -17.019 0.770 -5.175 17 1HB HIS 3 2HB HIS 3 -18.729 -0.719 -6.313 18 2HB HIS 3 1HB HIS 3 -19.450 -1.004 -4.734 19 HD1 HIS 3 1HD HIS 3 -21.142 0.738 -3.921 20 HD2 HIS 3 2HD HIS 3 -18.953 2.022 -7.213 21 HE1 HIS 3 1HE HIS 3 -22.230 2.859 -4.675 22 HE2 HIS 3 2HE HIS 3 -21.077 3.397 -6.843 23 H HIS 4 H HIS 4 -17.387 2.282 -3.622 24 HA HIS 4 HA HIS 4 -17.473 1.307 -0.889 25 1HB HIS 4 2HB HIS 4 -17.041 4.084 -1.978 26 2HB HIS 4 1HB HIS 4 -17.152 3.712 -0.267 27 HD1 HIS 4 1HD HIS 4 -15.125 2.519 0.824 28 HD2 HIS 4 2HD HIS 4 -14.668 3.377 -3.223 29 HE1 HIS 4 1HE HIS 4 -12.718 2.215 0.340 30 HE2 HIS 4 2HE HIS 4 -12.504 3.334 -1.840 31 H HIS 5 H HIS 5 -18.861 2.137 0.656 32 HA HIS 5 HA HIS 5 -21.191 3.625 -0.297 33 1HB HIS 5 2HB HIS 5 -21.581 1.059 0.012 34 2HB HIS 5 1HB HIS 5 -21.463 1.403 1.733 35 HD1 HIS 5 1HD HIS 5 -23.619 2.258 2.860 36 HD2 HIS 5 2HD HIS 5 -23.747 2.404 -1.288 37 HE1 HIS 5 1HE HIS 5 -25.943 2.881 2.291 38 HE2 HIS 5 2HE HIS 5 -26.060 2.625 -0.205 39 H HIS 6 H HIS 6 -18.537 3.386 1.550 40 HA HIS 6 HA HIS 6 -19.182 5.479 3.382 41 1HB HIS 6 2HB HIS 6 -18.239 2.741 4.310 42 2HB HIS 6 1HB HIS 6 -18.098 4.186 5.279 43 HD1 HIS 6 1HD HIS 6 -20.127 1.338 4.870 44 HD2 HIS 6 2HD HIS 6 -20.847 5.314 5.756 45 HE1 HIS 6 1HE HIS 6 -22.395 1.394 5.953 46 HE2 HIS 6 2HE HIS 6 -22.577 3.733 6.794 47 H HIS 7 H HIS 7 -16.977 5.779 4.635 48 HA HIS 7 HA HIS 7 -14.645 4.766 3.390 49 1HB HIS 7 2HB HIS 7 -15.258 6.622 1.790 50 2HB HIS 7 1HB HIS 7 -15.170 7.758 3.124 51 HD1 HIS 7 1HD HIS 7 -12.908 8.853 3.466 52 HD2 HIS 7 2HD HIS 7 -12.646 5.375 1.193 53 HE1 HIS 7 1HE HIS 7 -10.574 8.772 2.640 54 HE2 HIS 7 2HE HIS 7 -10.580 6.972 0.964 55 H HIS 8 H HIS 8 -14.425 4.047 5.473 56 HA HIS 8 HA HIS 8 -13.438 6.071 7.358 57 1HB HIS 8 2HB HIS 8 -15.793 5.707 7.951 58 2HB HIS 8 1HB HIS 8 -15.513 3.979 8.053 59 HD1 HIS 8 1HD HIS 8 -15.386 3.232 10.428 60 HD2 HIS 8 2HD HIS 8 -13.894 7.082 9.935 61 HE1 HIS 8 1HE HIS 8 -14.764 4.017 12.722 62 HE2 HIS 8 2HE HIS 8 -14.064 6.419 12.408 63 H LEU 9 H LEU 9 -14.092 2.565 7.304 64 HA LEU 9 HA LEU 9 -11.240 2.028 7.449 65 1HB LEU 9 2HB LEU 9 -12.275 2.006 9.800 66 2HB LEU 9 1HB LEU 9 -13.228 0.634 9.272 67 HG LEU 9 HG LEU 9 -11.410 -0.132 10.649 68 1HD1 LEU 9 1HD1 LEU 9 -10.805 -0.842 7.801 69 2HD1 LEU 9 2HD1 LEU 9 -11.938 -1.651 8.880 70 3HD1 LEU 9 3HD1 LEU 9 -10.208 -1.695 9.224 71 1HD2 LEU 9 1HD2 LEU 9 -9.558 1.362 8.798 72 2HD2 LEU 9 2HD2 LEU 9 -9.039 0.224 10.034 73 3HD2 LEU 9 3HD2 LEU 9 -9.888 1.697 10.497 74 H GLU 10 H GLU 10 -11.376 1.384 5.457 75 HA GLU 10 HA GLU 10 -13.545 -0.295 4.543 76 1HB GLU 10 2HB GLU 10 -11.207 0.809 3.031 77 2HB GLU 10 1HB GLU 10 -12.716 0.198 2.373 78 1HG GLU 10 2HG GLU 10 -12.355 2.707 4.002 79 2HG GLU 10 1HG GLU 10 -12.644 2.590 2.271 80 H GLU 11 H GLU 11 -13.301 -2.451 4.527 81 HA GLU 11 HA GLU 11 -10.705 -3.591 4.663 82 1HB GLU 11 2HB GLU 11 -12.348 -4.719 5.925 83 2HB GLU 11 1HB GLU 11 -13.447 -4.797 4.545 84 1HG GLU 11 2HG GLU 11 -12.072 -6.245 3.402 85 2HG GLU 11 1HG GLU 11 -10.749 -6.138 4.502 86 H PHE 12 H PHE 12 -9.549 -3.972 3.024 87 HA PHE 12 HA PHE 12 -10.823 -4.406 0.447 88 1HB PHE 12 2HB PHE 12 -8.229 -3.232 1.242 89 2HB PHE 12 1HB PHE 12 -8.657 -3.924 -0.312 90 HD1 PHE 12 1HD PHE 12 -8.870 -1.065 1.889 91 HD2 PHE 12 2HD PHE 12 -10.529 -2.793 -1.621 92 HE1 PHE 12 1HE PHE 12 -9.852 1.105 1.288 93 HE2 PHE 12 2HE PHE 12 -11.515 -0.627 -2.222 94 HZ PHE 12 HZ PHE 12 -11.174 1.322 -0.772 95 H THR 13 H THR 13 -10.484 -6.418 -0.344 96 HA THR 13 HA THR 13 -8.435 -8.042 0.906 97 HB THR 13 HB THR 13 -9.963 -8.800 -1.561 98 HG1 THR 13 1HG THR 13 -10.988 -9.350 1.043 99 1HG2 THR 13 1HG2 THR 13 -9.005 -10.267 0.859 100 2HG2 THR 13 2HG2 THR 13 -8.194 -10.181 -0.704 101 3HG2 THR 13 3HG2 THR 13 -9.782 -10.998 -0.570 102 H ALA 14 H ALA 14 -6.647 -8.931 -0.349 103 HA ALA 14 HA ALA 14 -5.190 -6.987 -1.661 104 1HB ALA 14 1HB ALA 14 -4.798 -9.953 -1.992 105 2HB ALA 14 2HB ALA 14 -4.203 -8.987 -0.637 106 3HB ALA 14 3HB ALA 14 -3.598 -8.690 -2.266 107 H GLU 15 H GLU 15 -7.036 -9.585 -3.234 108 HA GLU 15 HA GLU 15 -6.326 -8.896 -5.882 109 1HB GLU 15 2HB GLU 15 -8.853 -10.264 -4.913 110 2HB GLU 15 1HB GLU 15 -8.328 -10.185 -6.580 111 1HG GLU 15 2HG GLU 15 -7.864 -12.367 -5.673 112 2HG GLU 15 1HG GLU 15 -6.349 -11.537 -6.001 113 H GLN 16 H GLN 16 -8.814 -7.821 -3.755 114 HA GLN 16 HA GLN 16 -10.261 -6.305 -5.697 115 1HB GLN 16 2HB GLN 16 -10.481 -6.608 -2.711 116 2HB GLN 16 1HB GLN 16 -11.445 -5.423 -3.568 117 1HG GLN 16 2HG GLN 16 -12.687 -7.512 -3.134 118 2HG GLN 16 1HG GLN 16 -12.540 -7.180 -4.846 119 1HE2 GLN 16 1HE2 GLN 16 -11.681 -9.301 -2.265 120 2HE2 GLN 16 2HE2 GLN 16 -11.027 -10.554 -3.260 121 H LEU 17 H LEU 17 -7.851 -5.621 -3.275 122 HA LEU 17 HA LEU 17 -7.843 -2.806 -3.245 123 1HB LEU 17 2HB LEU 17 -6.522 -4.593 -1.842 124 2HB LEU 17 1HB LEU 17 -5.366 -4.539 -3.139 125 HG LEU 17 HG LEU 17 -4.469 -3.190 -1.417 126 1HD1 LEU 17 1HD1 LEU 17 -4.348 -0.974 -2.189 127 2HD1 LEU 17 2HD1 LEU 17 -5.655 -1.316 -3.334 128 3HD1 LEU 17 3HD1 LEU 17 -4.110 -2.195 -3.446 129 1HD2 LEU 17 1HD2 LEU 17 -7.103 -1.807 -1.223 130 2HD2 LEU 17 2HD2 LEU 17 -5.640 -1.372 -0.344 131 3HD2 LEU 17 3HD2 LEU 17 -6.415 -2.935 -0.053 132 H SER 18 H SER 18 -6.373 -5.220 -5.285 133 HA SER 18 HA SER 18 -4.686 -3.636 -6.860 134 1HB SER 18 2HB SER 18 -5.988 -6.284 -7.527 135 2HB SER 18 1HB SER 18 -4.566 -5.587 -8.307 136 HG SER 18 HG SER 18 -4.818 -6.553 -5.639 137 H GLN 19 H GLN 19 -8.057 -3.753 -6.846 138 HA GLN 19 HA GLN 19 -8.354 -3.129 -9.660 139 1HB GLN 19 2HB GLN 19 -10.390 -3.346 -7.432 140 2HB GLN 19 1HB GLN 19 -10.773 -3.116 -9.137 141 1HG GLN 19 2HG GLN 19 -9.827 -5.259 -9.694 142 2HG GLN 19 1HG GLN 19 -9.260 -5.480 -8.046 143 1HE2 GLN 19 1HE2 GLN 19 -10.367 -7.365 -7.814 144 2HE2 GLN 19 2HE2 GLN 19 -12.081 -7.467 -7.669 145 H TYR 20 H TYR 20 -7.725 -1.512 -6.789 146 HA TYR 20 HA TYR 20 -8.770 1.038 -7.788 147 1HB TYR 20 2HB TYR 20 -7.865 0.141 -5.056 148 2HB TYR 20 1HB TYR 20 -8.111 1.838 -5.459 149 HD1 TYR 20 1HD TYR 20 -10.319 2.706 -5.882 150 HD2 TYR 20 2HD TYR 20 -9.789 -1.376 -4.809 151 HE1 TYR 20 1HE TYR 20 -12.705 2.544 -5.383 152 HE2 TYR 20 2HE TYR 20 -12.200 -1.550 -4.307 153 HH TYR 20 HH TYR 20 -14.036 -0.006 -3.666 154 H ASN 21 H ASN 21 -6.611 -0.305 -8.920 155 HA ASN 21 HA ASN 21 -4.112 0.874 -8.190 156 1HB ASN 21 2HB ASN 21 -3.289 -0.228 -10.212 157 2HB ASN 21 1HB ASN 21 -4.240 -1.334 -9.229 158 1HD2 ASN 21 1HD2 ASN 21 -3.616 -1.509 -12.004 159 2HD2 ASN 21 2HD2 ASN 21 -5.096 -1.576 -12.873 160 H GLY 22 H GLY 22 -6.774 1.919 -9.924 161 1HA GLY 22 2HA GLY 22 -7.122 4.082 -10.787 162 2HA GLY 22 1HA GLY 22 -5.389 4.353 -10.697 163 H THR 23 H THR 23 -6.795 1.566 -12.338 164 HA THR 23 HA THR 23 -5.665 2.588 -14.831 165 HB THR 23 HB THR 23 -5.251 0.214 -14.155 166 HG1 THR 23 1HG THR 23 -6.325 1.006 -16.582 167 1HG2 THR 23 1HG2 THR 23 -8.196 -0.137 -14.714 168 2HG2 THR 23 2HG2 THR 23 -7.399 -0.299 -13.147 169 3HG2 THR 23 3HG2 THR 23 -7.049 -1.448 -14.439 170 H ASP 24 H ASP 24 -8.425 2.591 -13.175 171 HA ASP 24 HA ASP 24 -10.123 2.735 -15.443 172 1HB ASP 24 2HB ASP 24 -10.656 3.152 -12.501 173 2HB ASP 24 1HB ASP 24 -11.911 3.272 -13.711 174 H GLU 25 H GLU 25 -11.698 5.033 -14.985 175 HA GLU 25 HA GLU 25 -9.675 7.010 -15.243 176 1HB GLU 25 2HB GLU 25 -12.668 7.248 -15.430 177 2HB GLU 25 1HB GLU 25 -11.561 8.591 -15.662 178 1HG GLU 25 2HG GLU 25 -10.491 7.285 -17.499 179 2HG GLU 25 1HG GLU 25 -11.786 6.104 -17.321 180 H SER 26 H SER 26 -8.712 7.028 -13.363 181 HA SER 26 HA SER 26 -8.127 8.035 -11.489 182 1HB SER 26 2HB SER 26 -9.272 10.070 -12.174 183 2HB SER 26 1HB SER 26 -10.814 9.397 -11.644 184 HG SER 26 HG SER 26 -9.573 9.293 -9.474 185 H LYS 27 H LYS 27 -11.544 7.825 -10.617 186 HA LYS 27 HA LYS 27 -12.571 6.968 -8.782 187 1HB LYS 27 2HB LYS 27 -10.588 4.670 -9.034 188 2HB LYS 27 1HB LYS 27 -12.156 4.612 -8.255 189 1HG LYS 27 2HG LYS 27 -13.113 5.085 -10.596 190 2HG LYS 27 1HG LYS 27 -11.500 4.715 -11.159 191 1HD LYS 27 2HD LYS 27 -13.292 2.860 -9.588 192 2HD LYS 27 1HD LYS 27 -12.804 2.695 -11.273 193 1HE LYS 27 2HE LYS 27 -10.430 2.487 -10.493 194 2HE LYS 27 1HE LYS 27 -11.030 2.509 -8.840 195 1HZ LYS 27 1HZ LYS 27 -10.713 0.240 -9.535 196 2HZ LYS 27 2HZ LYS 27 -11.553 0.497 -10.927 197 3HZ LYS 27 3HZ LYS 27 -12.386 0.489 -9.459 198 HA PRO 28 HA PRO 28 -9.688 7.564 -5.289 199 1HB PRO 28 2HB PRO 28 -10.503 5.295 -3.669 200 2HB PRO 28 1HB PRO 28 -10.833 7.008 -3.403 201 1HG PRO 28 2HG PRO 28 -12.761 5.196 -4.054 202 2HG PRO 28 1HG PRO 28 -12.856 6.917 -4.468 203 1HD PRO 28 2HD PRO 28 -12.059 4.598 -6.181 204 2HD PRO 28 1HD PRO 28 -13.056 6.014 -6.591 205 H ILE 29 H ILE 29 -7.615 6.960 -4.899 206 HA ILE 29 HA ILE 29 -6.794 4.311 -5.910 207 HB ILE 29 HB ILE 29 -4.992 6.765 -5.601 208 1HG1 ILE 29 2HG1 ILE 29 -4.824 6.728 -8.106 209 2HG1 ILE 29 1HG1 ILE 29 -6.177 5.605 -8.156 210 1HG2 ILE 29 1HG2 ILE 29 -4.431 4.095 -6.875 211 2HG2 ILE 29 2HG2 ILE 29 -3.778 4.691 -5.352 212 3HG2 ILE 29 3HG2 ILE 29 -3.332 5.476 -6.868 213 1HD1 ILE 29 1HD1 ILE 29 -6.158 8.425 -7.142 214 2HD1 ILE 29 2HD1 ILE 29 -7.571 7.358 -7.127 215 3HD1 ILE 29 3HD1 ILE 29 -6.843 7.860 -8.662 216 H TYR 30 H TYR 30 -5.556 2.987 -4.573 217 HA TYR 30 HA TYR 30 -4.989 3.994 -1.862 218 1HB TYR 30 2HB TYR 30 -6.345 1.368 -2.480 219 2HB TYR 30 1HB TYR 30 -5.864 1.967 -0.900 220 HD1 TYR 30 1HD TYR 30 -7.026 4.031 -0.003 221 HD2 TYR 30 2HD TYR 30 -8.423 1.886 -3.380 222 HE1 TYR 30 1HE TYR 30 -9.246 5.064 0.256 223 HE2 TYR 30 2HE TYR 30 -10.629 2.909 -3.134 224 HH TYR 30 HH TYR 30 -11.183 5.571 -1.200 225 H VAL 31 H VAL 31 -3.390 3.141 -0.846 226 HA VAL 31 HA VAL 31 -1.824 1.068 -2.194 227 HB VAL 31 HB VAL 31 0.211 2.036 -1.265 228 1HG1 VAL 31 1HG1 VAL 31 -0.319 2.697 -3.510 229 2HG1 VAL 31 2HG1 VAL 31 0.498 3.992 -2.648 230 3HG1 VAL 31 3HG1 VAL 31 -1.256 4.077 -2.911 231 1HG2 VAL 31 1HG2 VAL 31 0.250 4.294 -0.280 232 2HG2 VAL 31 2HG2 VAL 31 -0.655 3.113 0.674 233 3HG2 VAL 31 3HG2 VAL 31 -1.521 4.291 -0.319 234 H ALA 32 H ALA 32 -0.682 -0.279 -0.634 235 HA ALA 32 HA ALA 32 -1.743 0.054 2.042 236 1HB ALA 32 1HB ALA 32 -1.468 -2.564 0.574 237 2HB ALA 32 2HB ALA 32 -2.982 -1.739 0.938 238 3HB ALA 32 3HB ALA 32 -1.981 -2.369 2.249 239 H ILE 33 H ILE 33 -0.365 -0.081 3.574 240 HA ILE 33 HA ILE 33 2.310 -1.174 3.081 241 HB ILE 33 HB ILE 33 1.717 1.470 4.442 242 1HG1 ILE 33 2HG1 ILE 33 3.298 0.853 1.952 243 2HG1 ILE 33 1HG1 ILE 33 1.754 1.683 2.004 244 1HG2 ILE 33 1HG2 ILE 33 4.353 0.035 4.198 245 2HG2 ILE 33 2HG2 ILE 33 3.433 0.323 5.679 246 3HG2 ILE 33 3HG2 ILE 33 4.127 1.681 4.785 247 1HD1 ILE 33 1HD1 ILE 33 4.334 2.634 3.185 248 2HD1 ILE 33 2HD1 ILE 33 2.802 3.504 3.280 249 3HD1 ILE 33 3HD1 ILE 33 3.586 3.251 1.714 250 H LYS 34 H LYS 34 2.572 -2.749 4.478 251 HA LYS 34 HA LYS 34 2.759 -3.883 6.419 252 1HB LYS 34 2HB LYS 34 2.967 -1.292 7.199 253 2HB LYS 34 1HB LYS 34 1.527 -1.750 8.100 254 1HG LYS 34 2HG LYS 34 3.428 -1.955 9.500 255 2HG LYS 34 1HG LYS 34 2.897 -3.588 9.075 256 1HD LYS 34 2HD LYS 34 4.648 -3.850 7.489 257 2HD LYS 34 1HD LYS 34 5.060 -2.136 7.560 258 1HE LYS 34 2HE LYS 34 5.356 -4.111 9.815 259 2HE LYS 34 1HE LYS 34 6.663 -3.544 8.782 260 1HZ LYS 34 1HZ LYS 34 6.606 -2.310 10.868 261 2HZ LYS 34 2HZ LYS 34 5.030 -1.809 10.584 262 3HZ LYS 34 3HZ LYS 34 6.276 -1.280 9.571 263 H GLY 35 H GLY 35 0.277 -3.466 4.687 264 1HA GLY 35 2HA GLY 35 -1.651 -4.637 4.600 265 2HA GLY 35 1HA GLY 35 -1.616 -4.955 6.312 266 H ARG 36 H ARG 36 -0.978 -1.785 5.918 267 HA ARG 36 HA ARG 36 -3.703 -1.011 6.679 268 1HB ARG 36 2HB ARG 36 -1.109 0.528 6.730 269 2HB ARG 36 1HB ARG 36 -2.646 1.079 7.383 270 1HG ARG 36 2HG ARG 36 -2.596 -0.613 9.085 271 2HG ARG 36 1HG ARG 36 -1.171 -1.352 8.322 272 1HD ARG 36 2HD ARG 36 -1.273 1.424 9.484 273 2HD ARG 36 1HD ARG 36 -0.588 0.005 10.287 274 HE ARG 36 HE ARG 36 0.466 0.417 7.683 275 1HH1 ARG 36 1HH1 ARG 36 0.811 1.509 11.048 276 2HH1 ARG 36 2HH1 ARG 36 2.463 1.862 10.888 277 1HH2 ARG 36 1HH2 ARG 36 2.728 0.924 7.501 278 2HH2 ARG 36 2HH2 ARG 36 3.590 1.472 8.865 279 H VAL 37 H VAL 37 -4.950 0.073 5.268 280 HA VAL 37 HA VAL 37 -3.762 0.752 2.709 281 HB VAL 37 HB VAL 37 -6.664 0.485 3.535 282 1HG1 VAL 37 1HG1 VAL 37 -7.185 0.761 1.151 283 2HG1 VAL 37 2HG1 VAL 37 -5.474 1.057 0.827 284 3HG1 VAL 37 3HG1 VAL 37 -6.401 2.210 1.789 285 1HG2 VAL 37 1HG2 VAL 37 -6.611 -1.441 2.043 286 2HG2 VAL 37 2HG2 VAL 37 -5.462 -1.600 3.367 287 3HG2 VAL 37 3HG2 VAL 37 -4.896 -1.162 1.755 288 H PHE 38 H PHE 38 -3.320 2.667 2.162 289 HA PHE 38 HA PHE 38 -4.325 4.962 3.720 290 1HB PHE 38 2HB PHE 38 -1.947 4.620 1.934 291 2HB PHE 38 1HB PHE 38 -2.365 6.149 2.700 292 HD1 PHE 38 1HD PHE 38 -1.323 2.636 3.392 293 HD2 PHE 38 2HD PHE 38 -1.539 6.624 4.853 294 HE1 PHE 38 1HE PHE 38 0.082 2.010 5.303 295 HE2 PHE 38 2HE PHE 38 -0.130 5.996 6.765 296 HZ PHE 38 HZ PHE 38 0.686 3.689 6.992 297 H ASP 39 H ASP 39 -5.421 6.545 2.640 298 HA ASP 39 HA ASP 39 -6.248 5.971 -0.099 299 1HB ASP 39 2HB ASP 39 -7.874 6.815 1.671 300 2HB ASP 39 1HB ASP 39 -7.020 8.350 1.623 301 H VAL 40 H VAL 40 -4.972 6.612 -1.684 302 HA VAL 40 HA VAL 40 -3.339 9.015 -1.253 303 HB VAL 40 HB VAL 40 -1.821 8.154 -3.031 304 1HG1 VAL 40 1HG1 VAL 40 -2.189 6.321 -0.674 305 2HG1 VAL 40 2HG1 VAL 40 -1.251 7.826 -0.725 306 3HG1 VAL 40 3HG1 VAL 40 -0.755 6.442 -1.703 307 1HG2 VAL 40 1HG2 VAL 40 -3.441 5.627 -2.778 308 2HG2 VAL 40 2HG2 VAL 40 -1.942 5.824 -3.701 309 3HG2 VAL 40 3HG2 VAL 40 -3.392 6.702 -4.174 310 H THR 41 H THR 41 -6.135 8.827 -2.274 311 HA THR 41 HA THR 41 -6.068 9.337 -5.070 312 HB THR 41 HB THR 41 -8.177 10.316 -3.125 313 HG1 THR 41 1HG THR 41 -8.158 8.271 -2.616 314 1HG2 THR 41 1HG2 THR 41 -8.398 11.056 -5.460 315 2HG2 THR 41 2HG2 THR 41 -9.675 9.901 -5.050 316 3HG2 THR 41 3HG2 THR 41 -8.280 9.382 -5.998 317 H THR 42 H THR 42 -5.529 11.161 -2.198 318 HA THR 42 HA THR 42 -5.855 13.792 -3.070 319 HB THR 42 HB THR 42 -3.807 12.797 -1.074 320 HG1 THR 42 1HG THR 42 -5.663 13.134 0.388 321 1HG2 THR 42 1HG2 THR 42 -5.523 15.264 -1.234 322 2HG2 THR 42 2HG2 THR 42 -3.790 15.190 -1.584 323 3HG2 THR 42 3HG2 THR 42 -4.383 14.892 0.058 324 H GLY 43 H GLY 43 -3.321 11.396 -3.466 325 1HA GLY 43 2HA GLY 43 -1.665 13.356 -4.897 326 2HA GLY 43 1HA GLY 43 -1.007 12.027 -3.948 327 H LYS 44 H LYS 44 -3.760 12.069 -6.232 328 HA LYS 44 HA LYS 44 -3.280 9.624 -7.323 329 1HB LYS 44 2HB LYS 44 -5.360 10.860 -7.434 330 2HB LYS 44 1HB LYS 44 -4.595 12.043 -8.487 331 1HG LYS 44 2HG LYS 44 -4.269 10.373 -10.179 332 2HG LYS 44 1HG LYS 44 -4.933 9.144 -9.110 333 1HD LYS 44 2HD LYS 44 -6.438 9.834 -10.682 334 2HD LYS 44 1HD LYS 44 -7.063 10.288 -9.082 335 1HE LYS 44 2HE LYS 44 -7.550 12.095 -10.621 336 2HE LYS 44 1HE LYS 44 -6.184 12.644 -9.656 337 1HZ LYS 44 1HZ LYS 44 -6.059 11.502 -12.405 338 2HZ LYS 44 2HZ LYS 44 -4.722 12.000 -11.520 339 3HZ LYS 44 3HZ LYS 44 -5.882 13.117 -11.990 340 H SER 45 H SER 45 -2.253 12.799 -8.365 341 HA SER 45 HA SER 45 -1.031 12.369 -10.769 342 1HB SER 45 2HB SER 45 0.089 14.028 -8.513 343 2HB SER 45 1HB SER 45 0.413 14.247 -10.236 344 HG SER 45 HG SER 45 -1.157 15.659 -9.728 345 H PHE 46 H PHE 46 0.123 11.280 -7.632 346 HA PHE 46 HA PHE 46 2.743 10.551 -8.672 347 1HB PHE 46 2HB PHE 46 1.537 10.130 -5.935 348 2HB PHE 46 1HB PHE 46 3.203 9.815 -6.376 349 HD1 PHE 46 1HD PHE 46 4.752 11.659 -6.711 350 HD2 PHE 46 2HD PHE 46 0.724 12.344 -5.542 351 HE1 PHE 46 1HE PHE 46 5.338 13.946 -6.029 352 HE2 PHE 46 2HE PHE 46 1.302 14.634 -4.862 353 HZ PHE 46 HZ PHE 46 3.616 15.434 -5.106 354 H TYR 47 H TYR 47 -0.178 9.017 -7.350 355 HA TYR 47 HA TYR 47 1.027 6.404 -7.741 356 1HB TYR 47 2HB TYR 47 -1.494 7.167 -6.297 357 2HB TYR 47 1HB TYR 47 -0.771 5.562 -6.309 358 HD1 TYR 47 1HD TYR 47 -0.535 8.948 -5.012 359 HD2 TYR 47 2HD TYR 47 1.345 5.148 -5.118 360 HE1 TYR 47 1HE TYR 47 0.900 9.625 -3.156 361 HE2 TYR 47 2HE TYR 47 2.795 5.817 -3.244 362 HH TYR 47 HH TYR 47 2.180 8.579 -1.394 363 H GLY 48 H GLY 48 -1.975 8.094 -8.828 364 1HA GLY 48 2HA GLY 48 -2.452 5.703 -10.489 365 2HA GLY 48 1HA GLY 48 -3.740 6.634 -9.765 366 H SER 49 H SER 49 -1.068 8.332 -11.135 367 HA SER 49 HA SER 49 -2.446 8.555 -13.678 368 1HB SER 49 2HB SER 49 -1.717 10.995 -12.050 369 2HB SER 49 1HB SER 49 -2.350 11.021 -13.698 370 HG SER 49 HG SER 49 -3.939 9.501 -12.340 371 H GLY 50 H GLY 50 -0.656 7.235 -14.280 372 1HA GLY 50 2HA GLY 50 1.346 6.866 -15.314 373 2HA GLY 50 1HA GLY 50 1.239 8.547 -15.820 374 H GLY 51 H GLY 51 1.650 7.181 -12.588 375 1HA GLY 51 2HA GLY 51 4.024 8.900 -12.363 376 2HA GLY 51 1HA GLY 51 3.019 8.390 -11.016 377 H ASP 52 H ASP 52 5.671 8.198 -10.856 378 HA ASP 52 HA ASP 52 6.792 5.667 -11.532 379 1HB ASP 52 2HB ASP 52 8.208 7.593 -11.012 380 2HB ASP 52 1HB ASP 52 7.527 7.695 -9.400 381 H TYR 53 H TYR 53 4.812 6.859 -9.002 382 HA TYR 53 HA TYR 53 5.287 4.610 -7.277 383 1HB TYR 53 2HB TYR 53 3.439 6.977 -6.986 384 2HB TYR 53 1HB TYR 53 3.650 5.728 -5.769 385 HD1 TYR 53 1HD TYR 53 5.905 5.434 -4.710 386 HD2 TYR 53 2HD TYR 53 4.967 8.779 -7.163 387 HE1 TYR 53 1HE TYR 53 7.812 6.652 -3.762 388 HE2 TYR 53 2HE TYR 53 6.876 10.008 -6.224 389 HH TYR 53 HH TYR 53 9.300 8.511 -4.527 390 H SER 54 H SER 54 3.848 4.560 -9.991 391 HA SER 54 HA SER 54 1.162 3.793 -9.569 392 1HB SER 54 2HB SER 54 2.127 4.465 -11.777 393 2HB SER 54 1HB SER 54 3.030 2.956 -11.786 394 HG SER 54 HG SER 54 1.226 2.592 -12.957 395 H MET 55 H MET 55 4.134 2.165 -9.005 396 HA MET 55 HA MET 55 3.143 -0.511 -9.257 397 1HB MET 55 2HB MET 55 5.539 0.386 -7.665 398 2HB MET 55 1HB MET 55 5.194 -1.247 -8.211 399 1HG MET 55 2HG MET 55 5.940 1.126 -9.833 400 2HG MET 55 1HG MET 55 6.857 -0.346 -9.578 401 1HE MET 55 1HE MET 55 5.987 -0.565 -13.399 402 2HE MET 55 2HE MET 55 7.279 -0.508 -12.194 403 3HE MET 55 3HE MET 55 6.286 0.912 -12.488 404 H PHE 56 H PHE 56 2.860 1.908 -6.923 405 HA PHE 56 HA PHE 56 2.398 0.059 -4.722 406 1HB PHE 56 2HB PHE 56 2.340 3.086 -4.800 407 2HB PHE 56 1HB PHE 56 2.261 2.086 -3.354 408 HD1 PHE 56 1HD PHE 56 4.397 3.379 -5.992 409 HD2 PHE 56 2HD PHE 56 4.227 0.987 -2.518 410 HE1 PHE 56 1HE PHE 56 6.853 3.419 -5.870 411 HE2 PHE 56 2HE PHE 56 6.667 1.007 -2.365 412 HZ PHE 56 HZ PHE 56 8.002 2.229 -4.050 413 H ALA 57 H ALA 57 0.779 1.808 -7.133 414 HA ALA 57 HA ALA 57 -1.660 2.310 -5.804 415 1HB ALA 57 1HB ALA 57 -0.945 3.572 -7.776 416 2HB ALA 57 2HB ALA 57 -2.529 2.830 -8.016 417 3HB ALA 57 3HB ALA 57 -1.097 2.115 -8.757 418 H GLY 58 H GLY 58 -2.707 0.694 -4.956 419 1HA GLY 58 2HA GLY 58 -4.308 -0.925 -5.020 420 2HA GLY 58 1HA GLY 58 -3.979 -1.297 -6.682 421 H LYS 59 H LYS 59 -1.564 -1.000 -4.235 422 HA LYS 59 HA LYS 59 -1.181 -3.882 -4.192 423 1HB LYS 59 2HB LYS 59 0.737 -1.748 -4.989 424 2HB LYS 59 1HB LYS 59 1.293 -3.257 -4.346 425 1HG LYS 59 2HG LYS 59 -0.407 -3.067 -6.854 426 2HG LYS 59 1HG LYS 59 1.322 -2.879 -6.868 427 1HD LYS 59 2HD LYS 59 0.805 -5.157 -7.492 428 2HD LYS 59 1HD LYS 59 1.595 -5.161 -5.935 429 1HE LYS 59 2HE LYS 59 -0.182 -6.761 -6.012 430 2HE LYS 59 1HE LYS 59 -0.602 -5.515 -4.856 431 1HZ LYS 59 1HZ LYS 59 -1.603 -5.692 -7.655 432 2HZ LYS 59 2HZ LYS 59 -2.066 -4.526 -6.526 433 3HZ LYS 59 3HZ LYS 59 -2.479 -6.113 -6.295 434 H ASP 60 H ASP 60 -0.431 -4.557 -2.212 435 HA ASP 60 HA ASP 60 0.396 -2.529 -0.289 436 1HB ASP 60 2HB ASP 60 -0.941 -4.487 0.583 437 2HB ASP 60 1HB ASP 60 0.294 -5.561 -0.035 438 H ALA 61 H ALA 61 2.460 -2.103 -0.053 439 HA ALA 61 HA ALA 61 4.265 -3.686 -1.776 440 1HB ALA 61 1HB ALA 61 4.239 -0.719 -1.375 441 2HB ALA 61 2HB ALA 61 3.617 -1.583 -2.784 442 3HB ALA 61 3HB ALA 61 5.342 -1.609 -2.426 443 H SER 62 H SER 62 3.910 -4.028 1.074 444 HA SER 62 HA SER 62 5.704 -2.621 2.621 445 1HB SER 62 2HB SER 62 4.866 -5.505 2.957 446 2HB SER 62 1HB SER 62 5.570 -4.455 4.196 447 HG SER 62 HG SER 62 3.044 -4.351 2.975 448 H ARG 63 H ARG 63 6.337 -5.632 0.807 449 HA ARG 63 HA ARG 63 9.057 -5.836 1.579 450 1HB ARG 63 2HB ARG 63 8.046 -7.801 0.791 451 2HB ARG 63 1HB ARG 63 7.471 -7.048 -0.674 452 1HG ARG 63 2HG ARG 63 9.830 -6.886 -1.452 453 2HG ARG 63 1HG ARG 63 10.344 -7.697 0.025 454 1HD ARG 63 2HD ARG 63 9.169 -9.691 -0.593 455 2HD ARG 63 1HD ARG 63 8.426 -8.884 -1.975 456 HE ARG 63 HE ARG 63 11.085 -8.606 -2.445 457 1HH1 ARG 63 1HH1 ARG 63 9.094 -11.475 -1.771 458 2HH1 ARG 63 2HH1 ARG 63 10.041 -12.495 -2.744 459 1HH2 ARG 63 1HH2 ARG 63 12.324 -9.973 -3.718 460 2HH2 ARG 63 2HH2 ARG 63 11.949 -11.633 -3.896 461 H ALA 64 H ALA 64 7.477 -4.100 -0.999 462 HA ALA 64 HA ALA 64 9.805 -3.770 -2.635 463 1HB ALA 64 1HB ALA 64 7.182 -2.286 -2.633 464 2HB ALA 64 2HB ALA 64 7.591 -3.693 -3.630 465 3HB ALA 64 3HB ALA 64 8.421 -2.162 -3.879 466 H LEU 65 H LEU 65 8.133 -2.072 -0.196 467 HA LEU 65 HA LEU 65 9.583 0.331 -0.268 468 1HB LEU 65 2HB LEU 65 7.958 -1.054 1.781 469 2HB LEU 65 1HB LEU 65 8.692 0.499 2.071 470 HG LEU 65 HG LEU 65 6.574 -0.124 -0.009 471 1HD1 LEU 65 1HD1 LEU 65 5.717 0.007 2.257 472 2HD1 LEU 65 2HD1 LEU 65 5.214 1.385 1.273 473 3HD1 LEU 65 3HD1 LEU 65 6.489 1.580 2.467 474 1HD2 LEU 65 1HD2 LEU 65 8.033 2.352 0.683 475 2HD2 LEU 65 2HD2 LEU 65 6.618 2.296 -0.385 476 3HD2 LEU 65 3HD2 LEU 65 8.141 1.501 -0.858 477 H GLY 66 H GLY 66 10.308 -2.745 1.123 478 1HA GLY 66 2HA GLY 66 12.461 -1.540 2.639 479 2HA GLY 66 1HA GLY 66 12.059 -3.237 2.622 480 H LYS 67 H LYS 67 11.973 -3.147 -0.344 481 HA LYS 67 HA LYS 67 14.808 -3.728 -0.710 482 1HB LYS 67 2HB LYS 67 12.545 -4.100 -2.665 483 2HB LYS 67 1HB LYS 67 14.142 -4.822 -2.760 484 1HG LYS 67 2HG LYS 67 12.079 -5.365 -0.651 485 2HG LYS 67 1HG LYS 67 12.418 -6.432 -1.996 486 1HD LYS 67 2HD LYS 67 14.335 -5.657 0.226 487 2HD LYS 67 1HD LYS 67 13.469 -7.181 0.107 488 1HE LYS 67 2HE LYS 67 14.619 -7.670 -1.962 489 2HE LYS 67 1HE LYS 67 15.515 -6.154 -1.846 490 1HZ LYS 67 1HZ LYS 67 16.848 -7.992 -0.982 491 2HZ LYS 67 2HZ LYS 67 15.612 -8.398 0.077 492 3HZ LYS 67 3HZ LYS 67 16.425 -6.937 0.283 493 H MET 68 H MET 68 12.437 -1.396 -1.644 494 HA MET 68 HA MET 68 12.565 0.683 -2.498 495 1HB MET 68 2HB MET 68 15.534 0.177 -2.924 496 2HB MET 68 1HB MET 68 14.728 1.719 -3.171 497 1HG MET 68 2HG MET 68 14.142 1.745 -0.767 498 2HG MET 68 1HG MET 68 15.030 0.238 -0.578 499 1HE MET 68 1HE MET 68 17.007 4.259 -1.711 500 2HE MET 68 2HE MET 68 15.294 4.083 -1.346 501 3HE MET 68 3HE MET 68 15.959 3.366 -2.812 502 H SER 69 H SER 69 12.226 -1.824 -3.752 503 HA SER 69 HA SER 69 12.881 -1.286 -6.568 504 1HB SER 69 2HB SER 69 12.204 -3.832 -5.092 505 2HB SER 69 1HB SER 69 12.621 -3.696 -6.795 506 HG SER 69 HG SER 69 14.441 -2.546 -5.101 507 H LYS 70 H LYS 70 11.403 -1.595 -8.065 508 HA LYS 70 HA LYS 70 8.667 -1.014 -7.164 509 1HB LYS 70 2HB LYS 70 10.213 -0.199 -9.606 510 2HB LYS 70 1HB LYS 70 8.585 0.334 -9.204 511 1HG LYS 70 2HG LYS 70 9.304 1.516 -7.321 512 2HG LYS 70 1HG LYS 70 10.888 0.744 -7.356 513 1HD LYS 70 2HD LYS 70 11.415 1.852 -9.384 514 2HD LYS 70 1HD LYS 70 9.775 2.498 -9.445 515 1HE LYS 70 2HE LYS 70 10.222 3.753 -7.353 516 2HE LYS 70 1HE LYS 70 11.845 3.070 -7.306 517 1HZ LYS 70 1HZ LYS 70 10.756 4.940 -9.337 518 2HZ LYS 70 2HZ LYS 70 12.298 4.248 -9.409 519 3HZ LYS 70 3HZ LYS 70 11.899 5.298 -8.148 520 H ASN 71 H ASN 71 10.699 -2.998 -8.927 521 HA ASN 71 HA ASN 71 9.043 -4.292 -10.771 522 1HB ASN 71 2HB ASN 71 10.386 -6.319 -10.264 523 2HB ASN 71 1HB ASN 71 11.329 -4.933 -10.889 524 1HD2 ASN 71 1HD2 ASN 71 10.706 -7.082 -8.332 525 2HD2 ASN 71 2HD2 ASN 71 11.932 -6.559 -7.229 526 H GLU 72 H GLU 72 7.726 -5.904 -10.784 527 HA GLU 72 HA GLU 72 5.909 -6.133 -8.714 528 1HB GLU 72 2HB GLU 72 5.040 -8.037 -9.943 529 2HB GLU 72 1HB GLU 72 5.171 -6.573 -10.930 530 1HG GLU 72 2HG GLU 72 7.206 -7.521 -11.918 531 2HG GLU 72 1HG GLU 72 7.019 -8.959 -10.911 532 H GLU 73 H GLU 73 8.731 -8.056 -9.334 533 HA GLU 73 HA GLU 73 8.280 -10.317 -7.796 534 1HB GLU 73 2HB GLU 73 10.224 -10.017 -9.169 535 2HB GLU 73 1HB GLU 73 10.785 -8.686 -8.194 536 1HG GLU 73 2HG GLU 73 12.101 -10.612 -7.713 537 2HG GLU 73 1HG GLU 73 11.104 -10.187 -6.325 538 H ASP 74 H ASP 74 9.374 -7.087 -6.787 539 HA ASP 74 HA ASP 74 9.413 -8.033 -4.055 540 1HB ASP 74 2HB ASP 74 10.545 -5.509 -5.252 541 2HB ASP 74 1HB ASP 74 10.525 -5.839 -3.525 542 H VAL 75 H VAL 75 7.397 -6.311 -6.120 543 HA VAL 75 HA VAL 75 6.090 -4.881 -3.937 544 HB VAL 75 HB VAL 75 4.928 -5.391 -6.709 545 1HG1 VAL 75 1HG1 VAL 75 3.301 -4.623 -5.049 546 2HG1 VAL 75 2HG1 VAL 75 3.646 -3.373 -6.274 547 3HG1 VAL 75 3HG1 VAL 75 4.357 -3.249 -4.685 548 1HG2 VAL 75 1HG2 VAL 75 5.697 -3.206 -7.326 549 2HG2 VAL 75 2HG2 VAL 75 7.054 -4.292 -6.940 550 3HG2 VAL 75 3HG2 VAL 75 6.540 -3.050 -5.780 551 H SER 76 H SER 76 5.245 -6.096 -2.435 552 HA SER 76 HA SER 76 3.404 -8.202 -3.121 553 1HB SER 76 2HB SER 76 5.650 -9.205 -3.237 554 2HB SER 76 1HB SER 76 5.988 -8.644 -1.611 555 HG SER 76 HG SER 76 4.024 -10.533 -2.393 556 HA PRO 77 HA PRO 77 1.666 -6.565 0.699 557 1HB PRO 77 2HB PRO 77 -0.133 -8.473 1.243 558 2HB PRO 77 1HB PRO 77 -0.314 -7.453 -0.184 559 1HG PRO 77 2HG PRO 77 0.787 -10.220 0.027 560 2HG PRO 77 1HG PRO 77 -0.360 -9.563 -1.155 561 1HD PRO 77 2HD PRO 77 2.294 -9.863 -1.668 562 2HD PRO 77 1HD PRO 77 1.305 -8.588 -2.412 563 H SER 78 H SER 78 4.109 -8.095 0.987 564 HA SER 78 HA SER 78 3.861 -8.709 3.770 565 1HB SER 78 2HB SER 78 3.347 -10.890 2.675 566 2HB SER 78 1HB SER 78 4.850 -10.766 1.778 567 HG SER 78 HG SER 78 4.391 -11.603 4.310 568 H LEU 79 H LEU 79 6.171 -9.266 4.479 569 HA LEU 79 HA LEU 79 8.172 -7.970 2.824 570 1HB LEU 79 2HB LEU 79 9.132 -6.911 4.952 571 2HB LEU 79 1HB LEU 79 7.719 -6.154 4.257 572 HG LEU 79 HG LEU 79 7.476 -8.053 6.608 573 1HD1 LEU 79 1HD1 LEU 79 9.052 -6.197 7.188 574 2HD1 LEU 79 2HD1 LEU 79 7.503 -6.049 8.028 575 3HD1 LEU 79 3HD1 LEU 79 7.840 -5.042 6.628 576 1HD2 LEU 79 1HD2 LEU 79 5.490 -7.450 5.295 577 2HD2 LEU 79 2HD2 LEU 79 5.886 -5.754 5.575 578 3HD2 LEU 79 3HD2 LEU 79 5.418 -6.783 6.946 579 H GLU 80 H GLU 80 7.400 -10.661 3.469 580 HA GLU 80 HA GLU 80 9.151 -11.857 5.291 581 1HB GLU 80 2HB GLU 80 7.285 -12.979 4.438 582 2HB GLU 80 1HB GLU 80 7.923 -13.018 2.780 583 1HG GLU 80 2HG GLU 80 8.207 -15.175 3.799 584 2HG GLU 80 1HG GLU 80 9.789 -14.388 3.726 585 H GLY 81 H GLY 81 11.197 -11.949 5.246 586 1HA GLY 81 2HA GLY 81 12.962 -12.975 4.193 587 2HA GLY 81 1HA GLY 81 12.554 -12.188 2.671 588 H LEU 82 H LEU 82 11.761 -9.927 4.650 589 HA LEU 82 HA LEU 82 14.221 -8.485 4.374 590 1HB LEU 82 2HB LEU 82 11.408 -7.735 5.032 591 2HB LEU 82 1HB LEU 82 12.705 -6.624 5.390 592 HG LEU 82 HG LEU 82 13.282 -6.556 2.979 593 1HD1 LEU 82 1HD1 LEU 82 12.699 -8.679 2.401 594 2HD1 LEU 82 2HD1 LEU 82 11.881 -7.495 1.352 595 3HD1 LEU 82 3HD1 LEU 82 10.967 -8.370 2.622 596 1HD2 LEU 82 1HD2 LEU 82 10.375 -6.005 3.511 597 2HD2 LEU 82 2HD2 LEU 82 11.353 -5.351 2.196 598 3HD2 LEU 82 3HD2 LEU 82 11.722 -4.920 3.870 599 H THR 83 H THR 83 15.628 -8.621 5.843 600 HA THR 83 HA THR 83 14.912 -9.120 8.570 601 HB THR 83 HB THR 83 16.977 -10.163 7.713 602 HG1 THR 83 1HG THR 83 17.542 -9.962 9.678 603 1HG2 THR 83 1HG2 THR 83 17.609 -8.504 6.037 604 2HG2 THR 83 2HG2 THR 83 18.954 -8.780 7.153 605 3HG2 THR 83 3HG2 THR 83 17.933 -7.346 7.321 606 H GLU 84 H GLU 84 16.579 -7.490 9.956 607 HA GLU 84 HA GLU 84 14.892 -5.363 10.453 608 1HB GLU 84 2HB GLU 84 16.491 -6.290 12.040 609 2HB GLU 84 1HB GLU 84 17.809 -5.559 11.144 610 1HG GLU 84 2HG GLU 84 16.821 -3.343 11.605 611 2HG GLU 84 1HG GLU 84 15.607 -4.135 12.601 612 H LYS 85 H LYS 85 17.971 -5.222 8.625 613 HA LYS 85 HA LYS 85 18.009 -2.441 8.193 614 1HB LYS 85 2HB LYS 85 19.445 -2.920 6.249 615 2HB LYS 85 1HB LYS 85 19.951 -3.798 7.692 616 1HG LYS 85 2HG LYS 85 18.910 -5.762 6.933 617 2HG LYS 85 1HG LYS 85 18.168 -4.916 5.617 618 1HD LYS 85 2HD LYS 85 20.002 -4.533 4.492 619 2HD LYS 85 1HD LYS 85 21.184 -5.025 5.770 620 1HE LYS 85 2HE LYS 85 20.206 -7.340 5.430 621 2HE LYS 85 1HE LYS 85 19.278 -6.675 4.087 622 1HZ LYS 85 1HZ LYS 85 22.227 -6.746 4.289 623 2HZ LYS 85 2HZ LYS 85 21.362 -6.068 3.018 624 3HZ LYS 85 3HZ LYS 85 21.281 -7.730 3.293 625 H GLU 86 H GLU 86 16.399 -5.061 6.271 626 HA GLU 86 HA GLU 86 15.865 -3.432 4.094 627 1HB GLU 86 2HB GLU 86 14.676 -5.980 5.100 628 2HB GLU 86 1HB GLU 86 14.441 -5.215 3.532 629 1HG GLU 86 2HG GLU 86 17.072 -6.265 4.591 630 2HG GLU 86 1HG GLU 86 16.028 -7.133 3.483 631 H ILE 87 H ILE 87 14.201 -4.587 6.936 632 HA ILE 87 HA ILE 87 11.747 -3.441 6.300 633 HB ILE 87 HB ILE 87 12.859 -4.111 9.029 634 1HG1 ILE 87 2HG1 ILE 87 11.110 -5.681 7.117 635 2HG1 ILE 87 1HG1 ILE 87 12.747 -6.047 7.579 636 1HG2 ILE 87 1HG2 ILE 87 11.091 -2.522 9.090 637 2HG2 ILE 87 2HG2 ILE 87 10.479 -4.112 9.670 638 3HG2 ILE 87 3HG2 ILE 87 10.141 -3.537 8.009 639 1HD1 ILE 87 1HD1 ILE 87 12.063 -6.413 9.877 640 2HD1 ILE 87 2HD1 ILE 87 11.150 -7.461 8.776 641 3HD1 ILE 87 3HD1 ILE 87 10.406 -6.004 9.450 642 H ASN 88 H ASN 88 14.603 -2.217 8.000 643 HA ASN 88 HA ASN 88 13.531 0.134 9.070 644 1HB ASN 88 2HB ASN 88 16.258 -0.571 8.140 645 2HB ASN 88 1HB ASN 88 15.841 1.130 8.350 646 1HD2 ASN 88 1HD2 ASN 88 16.225 -1.932 9.982 647 2HD2 ASN 88 2HD2 ASN 88 16.320 -1.260 11.572 648 H THR 89 H THR 89 14.629 -0.458 5.829 649 HA THR 89 HA THR 89 14.361 2.109 4.838 650 HB THR 89 HB THR 89 14.095 -0.586 3.517 651 HG1 THR 89 1HG THR 89 16.203 -0.531 3.421 652 1HG2 THR 89 1HG2 THR 89 14.613 0.602 1.440 653 2HG2 THR 89 2HG2 THR 89 14.461 2.153 2.311 654 3HG2 THR 89 3HG2 THR 89 13.072 1.050 2.159 655 H LEU 90 H LEU 90 11.968 -0.495 5.170 656 HA LEU 90 HA LEU 90 9.927 0.840 3.642 657 1HB LEU 90 2HB LEU 90 9.346 -1.298 3.518 658 2HB LEU 90 1HB LEU 90 10.283 -1.789 4.868 659 HG LEU 90 HG LEU 90 8.225 -0.609 6.108 660 1HD1 LEU 90 1HD1 LEU 90 7.019 -1.487 3.558 661 2HD1 LEU 90 2HD1 LEU 90 7.091 0.147 4.229 662 3HD1 LEU 90 3HD1 LEU 90 6.138 -1.098 5.034 663 1HD2 LEU 90 1HD2 LEU 90 7.209 -2.792 6.328 664 2HD2 LEU 90 2HD2 LEU 90 8.982 -2.812 6.500 665 3HD2 LEU 90 3HD2 LEU 90 8.233 -3.377 5.001 666 H ASN 91 H ASN 91 10.822 0.329 6.932 667 HA ASN 91 HA ASN 91 8.640 1.394 8.264 668 1HB ASN 91 2HB ASN 91 11.562 1.512 8.961 669 2HB ASN 91 1HB ASN 91 10.280 2.053 10.006 670 1HD2 ASN 91 1HD2 ASN 91 8.515 -0.302 9.148 671 2HD2 ASN 91 2HD2 ASN 91 9.231 -1.610 9.998 672 H ASP 92 H ASP 92 11.396 2.983 6.799 673 HA ASP 92 HA ASP 92 10.720 5.610 7.641 674 1HB ASP 92 2HB ASP 92 12.977 4.962 6.877 675 2HB ASP 92 1HB ASP 92 12.351 4.732 5.248 676 H TRP 93 H TRP 93 10.032 3.704 4.773 677 HA TRP 93 HA TRP 93 8.569 5.647 3.343 678 1HB TRP 93 2HB TRP 93 8.727 2.707 3.309 679 2HB TRP 93 1HB TRP 93 7.537 3.469 2.293 680 HD1 TRP 93 HD TRP 93 11.045 2.353 2.339 681 HE1 TRP 93 1HE TRP 93 12.363 3.264 0.348 682 HE3 TRP 93 3HE TRP 93 7.743 5.910 0.758 683 HZ2 TRP 93 2HZ TRP 93 12.051 5.240 -1.660 684 HZ3 TRP 93 3HZ TRP 93 8.326 7.270 -1.210 685 HH2 TRP 93 HH TRP 93 10.435 6.942 -2.391 686 H GLU 94 H GLU 94 7.503 3.257 5.659 687 HA GLU 94 HA GLU 94 4.752 3.612 5.594 688 1HB GLU 94 2HB GLU 94 6.517 3.377 8.032 689 2HB GLU 94 1HB GLU 94 4.783 3.138 8.018 690 1HG GLU 94 2HG GLU 94 5.044 1.213 6.590 691 2HG GLU 94 1HG GLU 94 6.794 1.451 6.542 692 H THR 95 H THR 95 7.205 5.451 7.088 693 HA THR 95 HA THR 95 5.667 7.263 8.635 694 HB THR 95 HB THR 95 8.441 7.571 7.529 695 HG1 THR 95 1HG THR 95 8.615 5.723 8.719 696 1HG2 THR 95 1HG2 THR 95 8.822 8.917 9.572 697 2HG2 THR 95 2HG2 THR 95 7.136 8.687 10.031 698 3HG2 THR 95 3HG2 THR 95 7.534 9.603 8.580 699 H LYS 96 H LYS 96 6.685 7.257 5.297 700 HA LYS 96 HA LYS 96 6.555 10.097 4.934 701 1HB LYS 96 2HB LYS 96 6.788 7.837 2.945 702 2HB LYS 96 1HB LYS 96 7.054 9.545 2.598 703 1HG LYS 96 2HG LYS 96 8.593 7.978 4.616 704 2HG LYS 96 1HG LYS 96 9.216 8.209 3.011 705 1HD LYS 96 2HD LYS 96 9.084 10.692 3.441 706 2HD LYS 96 1HD LYS 96 8.596 10.313 5.089 707 1HE LYS 96 2HE LYS 96 10.685 9.116 5.453 708 2HE LYS 96 1HE LYS 96 11.182 9.455 3.798 709 1HZ LYS 96 1HZ LYS 96 12.185 10.987 5.380 710 2HZ LYS 96 2HZ LYS 96 10.667 11.509 5.888 711 3HZ LYS 96 3HZ LYS 96 11.172 11.801 4.310 712 H PHE 97 H PHE 97 4.718 7.301 4.138 713 HA PHE 97 HA PHE 97 2.584 8.658 2.898 714 1HB PHE 97 2HB PHE 97 2.970 5.954 4.059 715 2HB PHE 97 1HB PHE 97 1.435 6.421 3.383 716 HD1 PHE 97 1HD PHE 97 1.055 6.082 1.097 717 HD2 PHE 97 2HD PHE 97 5.063 6.175 2.516 718 HE1 PHE 97 1HE PHE 97 1.859 5.383 -1.119 719 HE2 PHE 97 2HE PHE 97 5.866 5.480 0.295 720 HZ PHE 97 HZ PHE 97 4.265 5.081 -1.518 721 H GLU 98 H GLU 98 3.253 7.464 6.122 722 HA GLU 98 HA GLU 98 0.792 7.634 7.387 723 1HB GLU 98 2HB GLU 98 3.440 7.067 8.037 724 2HB GLU 98 1HB GLU 98 2.983 8.360 9.124 725 1HG GLU 98 2HG GLU 98 1.539 5.734 8.782 726 2HG GLU 98 1HG GLU 98 2.653 6.157 10.072 727 H ALA 99 H ALA 99 2.803 10.273 6.390 728 HA ALA 99 HA ALA 99 1.488 12.018 8.345 729 1HB ALA 99 1HB ALA 99 3.935 12.043 8.319 730 2HB ALA 99 2HB ALA 99 3.231 13.613 7.924 731 3HB ALA 99 3HB ALA 99 3.884 12.589 6.642 732 H LYS 100 H LYS 100 1.128 11.042 5.198 733 HA LYS 100 HA LYS 100 -0.019 13.644 4.498 734 1HB LYS 100 2HB LYS 100 1.484 11.724 2.737 735 2HB LYS 100 1HB LYS 100 0.409 12.920 2.073 736 1HG LYS 100 2HG LYS 100 2.626 13.752 1.883 737 2HG LYS 100 1HG LYS 100 1.839 14.677 3.150 738 1HD LYS 100 2HD LYS 100 2.977 13.339 4.836 739 2HD LYS 100 1HD LYS 100 3.741 12.369 3.570 740 1HE LYS 100 2HE LYS 100 4.763 14.381 2.684 741 2HE LYS 100 1HE LYS 100 4.089 15.333 4.001 742 1HZ LYS 100 1HZ LYS 100 5.398 13.923 5.568 743 2HZ LYS 100 2HZ LYS 100 6.350 14.780 4.500 744 3HZ LYS 100 3HZ LYS 100 6.086 13.131 4.243 745 H TYR 101 H TYR 101 -0.292 10.147 4.276 746 HA TYR 101 HA TYR 101 -2.943 10.525 3.133 747 1HB TYR 101 2HB TYR 101 -1.147 8.107 2.973 748 2HB TYR 101 1HB TYR 101 -2.677 8.360 2.133 749 HD1 TYR 101 1HD TYR 101 -2.794 10.359 0.490 750 HD2 TYR 101 2HD TYR 101 0.841 8.743 1.974 751 HE1 TYR 101 1HE TYR 101 -1.571 11.425 -1.355 752 HE2 TYR 101 2HE TYR 101 2.078 9.802 0.144 753 HH TYR 101 HH TYR 101 0.714 12.200 -1.756 754 HA PRO 102 HA PRO 102 -4.265 8.809 7.014 755 1HB PRO 102 2HB PRO 102 -6.891 8.757 6.526 756 2HB PRO 102 1HB PRO 102 -6.036 10.288 6.753 757 1HG PRO 102 2HG PRO 102 -6.852 8.943 4.208 758 2HG PRO 102 1HG PRO 102 -7.023 10.646 4.657 759 1HD PRO 102 2HD PRO 102 -4.990 9.739 3.089 760 2HD PRO 102 1HD PRO 102 -4.829 11.118 4.203 761 H VAL 103 H VAL 103 -4.513 6.808 7.703 762 HA VAL 103 HA VAL 103 -4.786 4.608 5.882 763 HB VAL 103 HB VAL 103 -4.960 4.590 8.916 764 1HG1 VAL 103 1HG1 VAL 103 -4.452 2.187 8.726 765 2HG1 VAL 103 2HG1 VAL 103 -4.515 2.322 6.967 766 3HG1 VAL 103 3HG1 VAL 103 -5.968 2.603 7.927 767 1HG2 VAL 103 1HG2 VAL 103 -2.799 5.420 8.176 768 2HG2 VAL 103 2HG2 VAL 103 -2.621 4.032 7.105 769 3HG2 VAL 103 3HG2 VAL 103 -2.632 3.797 8.847 770 H VAL 104 H VAL 104 -6.609 4.242 4.996 771 HA VAL 104 HA VAL 104 -9.056 4.957 6.447 772 HB VAL 104 HB VAL 104 -10.198 5.019 4.262 773 1HG1 VAL 104 1HG1 VAL 104 -9.246 7.051 5.220 774 2HG1 VAL 104 2HG1 VAL 104 -9.126 7.075 3.463 775 3HG1 VAL 104 3HG1 VAL 104 -7.702 6.708 4.440 776 1HG2 VAL 104 1HG2 VAL 104 -7.434 4.553 3.139 777 2HG2 VAL 104 2HG2 VAL 104 -8.871 4.972 2.209 778 3HG2 VAL 104 3HG2 VAL 104 -8.790 3.423 3.055 779 H GLY 105 H GLY 105 -7.353 2.279 6.128 780 1HA GLY 105 2HA GLY 105 -9.264 0.606 7.024 781 2HA GLY 105 1HA GLY 105 -9.426 0.478 5.292 782 H ARG 106 H ARG 106 -8.802 -1.669 5.348 783 HA ARG 106 HA ARG 106 -5.938 -2.143 5.869 784 1HB ARG 106 2HB ARG 106 -6.488 -4.356 6.727 785 2HB ARG 106 1HB ARG 106 -7.081 -3.131 7.793 786 1HG ARG 106 2HG ARG 106 -9.302 -3.438 7.071 787 2HG ARG 106 1HG ARG 106 -8.772 -4.532 5.782 788 1HD ARG 106 2HD ARG 106 -9.607 -5.757 7.719 789 2HD ARG 106 1HD ARG 106 -7.883 -6.013 7.327 790 HE ARG 106 HE ARG 106 -8.009 -3.985 9.231 791 1HH1 ARG 106 1HH1 ARG 106 -8.883 -7.417 9.182 792 2HH1 ARG 106 2HH1 ARG 106 -8.511 -7.681 10.811 793 1HH2 ARG 106 1HH2 ARG 106 -7.532 -4.329 11.449 794 2HH2 ARG 106 2HH2 ARG 106 -7.756 -5.879 12.152 795 H VAL 107 H VAL 107 -5.110 -3.899 4.759 796 HA VAL 107 HA VAL 107 -6.889 -4.872 2.713 797 HB VAL 107 HB VAL 107 -4.723 -3.915 1.825 798 1HG1 VAL 107 1HG1 VAL 107 -3.314 -4.516 3.663 799 2HG1 VAL 107 2HG1 VAL 107 -2.699 -5.166 2.112 800 3HG1 VAL 107 3HG1 VAL 107 -3.537 -6.229 3.258 801 1HG2 VAL 107 1HG2 VAL 107 -5.950 -5.535 0.591 802 2HG2 VAL 107 2HG2 VAL 107 -5.265 -6.795 1.584 803 3HG2 VAL 107 3HG2 VAL 107 -4.209 -5.926 0.425 804 H VAL 108 H VAL 108 -7.318 -6.912 2.632 805 HA VAL 108 HA VAL 108 -6.310 -8.592 4.783 806 HB VAL 108 HB VAL 108 -8.611 -9.694 4.728 807 1HG1 VAL 108 1HG1 VAL 108 -9.648 -7.870 5.945 808 2HG1 VAL 108 2HG1 VAL 108 -8.580 -6.770 5.096 809 3HG1 VAL 108 3HG1 VAL 108 -7.887 -7.902 6.308 810 1HG2 VAL 108 1HG2 VAL 108 -10.389 -8.417 3.790 811 2HG2 VAL 108 2HG2 VAL 108 -9.216 -8.797 2.485 812 3HG2 VAL 108 3HG2 VAL 108 -9.211 -7.205 3.335 813 H SER 109 H SER 109 -5.938 -10.693 4.290 814 HA SER 109 HA SER 109 -6.159 -11.450 1.528 815 1HB SER 109 2HB SER 109 -4.094 -10.213 1.661 816 2HB SER 109 1HB SER 109 -3.598 -11.127 3.078 817 HG SER 109 HG SER 109 -3.943 -12.087 0.413 Start of MODEL 11 1 1H MET 1 1HT MET 1 -18.213 -4.045 -5.329 2 2H MET 1 2HT MET 1 -17.081 -2.922 -4.789 3 3H MET 1 3HT MET 1 -16.963 -3.532 -6.346 4 HA MET 1 HA MET 1 -17.818 -1.275 -6.255 5 1HB MET 1 2HB MET 1 -19.893 -3.296 -7.149 6 2HB MET 1 1HB MET 1 -19.895 -1.601 -7.573 7 1HG MET 1 2HG MET 1 -19.084 -2.895 -9.437 8 2HG MET 1 1HG MET 1 -17.770 -1.927 -8.793 9 1HE MET 1 1HE MET 1 -16.045 -5.215 -10.131 10 2HE MET 1 2HE MET 1 -16.108 -3.461 -10.261 11 3HE MET 1 3HE MET 1 -17.475 -4.435 -10.809 12 H GLY 2 H GLY 2 -20.553 -3.348 -5.223 13 1HA GLY 2 2HA GLY 2 -22.109 -3.007 -3.616 14 2HA GLY 2 1HA GLY 2 -20.934 -1.995 -2.793 15 H HIS 3 H HIS 3 -22.444 -0.491 -2.197 16 HA HIS 3 HA HIS 3 -23.966 0.942 -4.235 17 1HB HIS 3 2HB HIS 3 -23.790 1.417 -1.246 18 2HB HIS 3 1HB HIS 3 -24.889 2.234 -2.348 19 HD1 HIS 3 1HD HIS 3 -24.914 -0.289 0.089 20 HD2 HIS 3 2HD HIS 3 -26.579 0.064 -3.691 21 HE1 HIS 3 1HE HIS 3 -26.801 -1.930 0.034 22 HE2 HIS 3 2HE HIS 3 -27.544 -1.910 -2.371 23 H HIS 4 H HIS 4 -21.876 1.864 -1.569 24 HA HIS 4 HA HIS 4 -20.370 3.639 -3.340 25 1HB HIS 4 2HB HIS 4 -22.096 5.061 -2.294 26 2HB HIS 4 1HB HIS 4 -21.592 4.517 -0.705 27 HD1 HIS 4 1HD HIS 4 -20.667 6.889 -3.453 28 HD2 HIS 4 2HD HIS 4 -19.228 5.731 0.267 29 HE1 HIS 4 1HE HIS 4 -18.988 8.617 -2.815 30 HE2 HIS 4 2HE HIS 4 -18.343 8.030 -0.461 31 H HIS 5 H HIS 5 -20.709 1.750 -0.467 32 HA HIS 5 HA HIS 5 -19.376 0.865 1.053 33 1HB HIS 5 2HB HIS 5 -17.436 -0.408 0.262 34 2HB HIS 5 1HB HIS 5 -18.720 -0.513 -0.916 35 HD1 HIS 5 1HD HIS 5 -15.154 0.372 -0.512 36 HD2 HIS 5 2HD HIS 5 -18.121 0.940 -3.375 37 HE1 HIS 5 1HE HIS 5 -13.962 1.050 -2.600 38 HE2 HIS 5 2HE HIS 5 -15.767 1.141 -4.362 39 H HIS 6 H HIS 6 -16.787 0.738 1.652 40 HA HIS 6 HA HIS 6 -14.980 1.695 2.494 41 1HB HIS 6 2HB HIS 6 -14.936 2.824 0.206 42 2HB HIS 6 1HB HIS 6 -15.671 4.219 0.983 43 HD1 HIS 6 1HD HIS 6 -12.533 2.216 0.873 44 HD2 HIS 6 2HD HIS 6 -13.878 5.842 2.376 45 HE1 HIS 6 1HE HIS 6 -10.466 3.454 1.616 46 HE2 HIS 6 2HE HIS 6 -11.337 5.759 2.031 47 H HIS 7 H HIS 7 -17.776 2.084 3.552 48 HA HIS 7 HA HIS 7 -17.451 4.487 5.145 49 1HB HIS 7 2HB HIS 7 -19.760 2.546 4.982 50 2HB HIS 7 1HB HIS 7 -19.718 3.927 6.071 51 HD1 HIS 7 1HD HIS 7 -21.284 3.086 3.094 52 HD2 HIS 7 2HD HIS 7 -19.008 6.362 4.250 53 HE1 HIS 7 1HE HIS 7 -21.919 4.922 1.539 54 HE2 HIS 7 2HE HIS 7 -20.883 6.939 2.615 55 H HIS 8 H HIS 8 -17.653 4.432 7.473 56 HA HIS 8 HA HIS 8 -17.042 3.772 9.554 57 1HB HIS 8 2HB HIS 8 -16.870 0.918 8.487 58 2HB HIS 8 1HB HIS 8 -16.754 1.384 10.172 59 HD1 HIS 8 1HD HIS 8 -18.936 1.457 11.460 60 HD2 HIS 8 2HD HIS 8 -19.526 1.213 7.356 61 HE1 HIS 8 1HE HIS 8 -21.377 1.008 11.150 62 HE2 HIS 8 2HE HIS 8 -21.743 1.055 8.693 63 H LEU 9 H LEU 9 -15.300 1.655 7.351 64 HA LEU 9 HA LEU 9 -12.955 3.124 7.145 65 1HB LEU 9 2HB LEU 9 -11.415 1.944 8.496 66 2HB LEU 9 1HB LEU 9 -12.782 2.032 9.572 67 HG LEU 9 HG LEU 9 -11.822 -0.359 8.004 68 1HD1 LEU 9 1HD1 LEU 9 -10.507 0.088 9.912 69 2HD1 LEU 9 2HD1 LEU 9 -11.459 -1.374 10.163 70 3HD1 LEU 9 3HD1 LEU 9 -11.936 0.132 10.946 71 1HD2 LEU 9 1HD2 LEU 9 -14.309 -0.214 9.745 72 2HD2 LEU 9 2HD2 LEU 9 -13.561 -1.686 9.076 73 3HD2 LEU 9 3HD2 LEU 9 -14.193 -0.460 7.987 74 H GLU 10 H GLU 10 -11.407 1.269 5.943 75 HA GLU 10 HA GLU 10 -13.314 -0.692 5.112 76 1HB GLU 10 2HB GLU 10 -13.543 1.022 3.478 77 2HB GLU 10 1HB GLU 10 -11.839 0.921 3.076 78 1HG GLU 10 2HG GLU 10 -12.062 -1.281 2.276 79 2HG GLU 10 1HG GLU 10 -13.680 -1.402 2.893 80 H GLU 11 H GLU 11 -12.720 -2.680 5.190 81 HA GLU 11 HA GLU 11 -10.010 -3.295 5.233 82 1HB GLU 11 2HB GLU 11 -11.411 -4.453 6.736 83 2HB GLU 11 1HB GLU 11 -12.555 -4.849 5.461 84 1HG GLU 11 2HG GLU 11 -11.040 -6.259 4.411 85 2HG GLU 11 1HG GLU 11 -9.709 -5.855 5.427 86 H PHE 12 H PHE 12 -9.033 -3.494 3.494 87 HA PHE 12 HA PHE 12 -10.345 -4.290 1.038 88 1HB PHE 12 2HB PHE 12 -7.793 -3.121 1.867 89 2HB PHE 12 1HB PHE 12 -8.065 -3.913 0.320 90 HD1 PHE 12 1HD PHE 12 -9.551 -2.717 -1.338 91 HD2 PHE 12 2HD PHE 12 -8.701 -0.995 2.458 92 HE1 PHE 12 1HE PHE 12 -10.430 -0.562 -2.119 93 HE2 PHE 12 2HE PHE 12 -9.580 1.159 1.684 94 HZ PHE 12 HZ PHE 12 -10.445 1.379 -0.605 95 H THR 13 H THR 13 -9.743 -6.179 0.093 96 HA THR 13 HA THR 13 -7.702 -7.654 1.529 97 HB THR 13 HB THR 13 -9.533 -8.748 -0.634 98 HG1 THR 13 1HG THR 13 -10.743 -7.960 1.283 99 1HG2 THR 13 1HG2 THR 13 -8.935 -10.893 0.446 100 2HG2 THR 13 2HG2 THR 13 -7.920 -9.965 1.579 101 3HG2 THR 13 3HG2 THR 13 -7.515 -9.995 -0.125 102 H ALA 14 H ALA 14 -6.011 -8.524 0.205 103 HA ALA 14 HA ALA 14 -4.948 -6.333 -1.271 104 1HB ALA 14 1HB ALA 14 -3.653 -9.040 -1.085 105 2HB ALA 14 2HB ALA 14 -3.544 -7.754 0.124 106 3HB ALA 14 3HB ALA 14 -2.894 -7.500 -1.493 107 H GLU 15 H GLU 15 -5.895 -9.507 -2.457 108 HA GLU 15 HA GLU 15 -5.109 -9.117 -5.151 109 1HB GLU 15 2HB GLU 15 -5.874 -11.275 -3.898 110 2HB GLU 15 1HB GLU 15 -7.502 -10.730 -4.223 111 1HG GLU 15 2HG GLU 15 -5.436 -11.437 -6.309 112 2HG GLU 15 1HG GLU 15 -6.734 -12.482 -5.765 113 H GLN 16 H GLN 16 -7.920 -8.298 -3.328 114 HA GLN 16 HA GLN 16 -9.479 -7.352 -5.482 115 1HB GLN 16 2HB GLN 16 -9.778 -7.199 -2.530 116 2HB GLN 16 1HB GLN 16 -10.947 -6.483 -3.643 117 1HG GLN 16 2HG GLN 16 -11.504 -8.563 -4.573 118 2HG GLN 16 1HG GLN 16 -10.058 -9.302 -3.865 119 1HE2 GLN 16 1HE2 GLN 16 -10.062 -9.984 -1.930 120 2HE2 GLN 16 2HE2 GLN 16 -11.379 -9.993 -0.856 121 H LEU 17 H LEU 17 -7.307 -5.922 -3.162 122 HA LEU 17 HA LEU 17 -7.876 -3.192 -3.568 123 1HB LEU 17 2HB LEU 17 -6.552 -3.982 -1.677 124 2HB LEU 17 1HB LEU 17 -5.298 -4.540 -2.766 125 HG LEU 17 HG LEU 17 -4.932 -2.177 -3.465 126 1HD1 LEU 17 1HD1 LEU 17 -7.056 -1.232 -2.892 127 2HD1 LEU 17 2HD1 LEU 17 -5.736 -0.416 -2.028 128 3HD1 LEU 17 3HD1 LEU 17 -6.754 -1.584 -1.181 129 1HD2 LEU 17 1HD2 LEU 17 -4.587 -2.762 -0.545 130 2HD2 LEU 17 2HD2 LEU 17 -3.781 -1.491 -1.479 131 3HD2 LEU 17 3HD2 LEU 17 -3.481 -3.195 -1.865 132 H SER 18 H SER 18 -6.110 -5.536 -5.355 133 HA SER 18 HA SER 18 -4.430 -3.845 -6.896 134 1HB SER 18 2HB SER 18 -4.195 -6.348 -6.387 135 2HB SER 18 1HB SER 18 -5.418 -6.605 -7.601 136 HG SER 18 HG SER 18 -3.136 -6.735 -8.204 137 H GLN 19 H GLN 19 -7.446 -3.412 -6.835 138 HA GLN 19 HA GLN 19 -7.900 -3.202 -9.747 139 1HB GLN 19 2HB GLN 19 -10.035 -3.335 -7.615 140 2HB GLN 19 1HB GLN 19 -10.247 -3.477 -9.353 141 1HG GLN 19 2HG GLN 19 -8.932 -5.627 -9.252 142 2HG GLN 19 1HG GLN 19 -8.902 -5.420 -7.529 143 1HE2 GLN 19 1HE2 GLN 19 -10.713 -5.607 -6.314 144 2HE2 GLN 19 2HE2 GLN 19 -12.139 -6.410 -6.875 145 H TYR 20 H TYR 20 -6.994 -1.590 -7.089 146 HA TYR 20 HA TYR 20 -8.447 0.904 -7.649 147 1HB TYR 20 2HB TYR 20 -7.207 -0.218 -5.149 148 2HB TYR 20 1HB TYR 20 -7.691 1.460 -5.248 149 HD1 TYR 20 1HD TYR 20 -8.797 -1.990 -4.925 150 HD2 TYR 20 2HD TYR 20 -10.101 2.024 -5.425 151 HE1 TYR 20 1HE TYR 20 -11.071 -2.656 -4.271 152 HE2 TYR 20 2HE TYR 20 -12.367 1.390 -4.775 153 HH TYR 20 HH TYR 20 -13.050 -1.599 -3.326 154 H ASN 21 H ASN 21 -6.193 -0.064 -9.115 155 HA ASN 21 HA ASN 21 -3.805 1.305 -8.217 156 1HB ASN 21 2HB ASN 21 -4.382 0.291 -11.007 157 2HB ASN 21 1HB ASN 21 -2.809 0.641 -10.317 158 1HD2 ASN 21 1HD2 ASN 21 -5.320 -1.630 -10.712 159 2HD2 ASN 21 2HD2 ASN 21 -4.580 -2.955 -9.919 160 H GLY 22 H GLY 22 -6.640 2.159 -9.818 161 1HA GLY 22 2HA GLY 22 -7.270 4.283 -10.616 162 2HA GLY 22 1HA GLY 22 -5.570 4.762 -10.588 163 H THR 23 H THR 23 -6.584 1.779 -11.954 164 HA THR 23 HA THR 23 -5.523 2.540 -14.555 165 HB THR 23 HB THR 23 -6.343 -0.145 -13.420 166 HG1 THR 23 1HG THR 23 -4.009 1.358 -13.197 167 1HG2 THR 23 1HG2 THR 23 -4.934 -1.072 -15.184 168 2HG2 THR 23 2HG2 THR 23 -4.636 0.554 -15.817 169 3HG2 THR 23 3HG2 THR 23 -6.264 -0.132 -15.855 170 H ASP 24 H ASP 24 -8.317 1.293 -12.871 171 HA ASP 24 HA ASP 24 -9.878 1.115 -15.330 172 1HB ASP 24 2HB ASP 24 -10.413 0.093 -12.566 173 2HB ASP 24 1HB ASP 24 -11.527 -0.024 -13.897 174 H GLU 25 H GLU 25 -10.719 3.043 -15.790 175 HA GLU 25 HA GLU 25 -12.087 4.802 -15.755 176 1HB GLU 25 2HB GLU 25 -13.473 3.215 -13.599 177 2HB GLU 25 1HB GLU 25 -14.177 4.603 -14.426 178 1HG GLU 25 2HG GLU 25 -14.010 3.404 -16.558 179 2HG GLU 25 1HG GLU 25 -13.333 2.014 -15.721 180 H SER 26 H SER 26 -9.815 4.654 -13.831 181 HA SER 26 HA SER 26 -8.732 6.062 -12.412 182 1HB SER 26 2HB SER 26 -9.424 7.755 -14.034 183 2HB SER 26 1HB SER 26 -10.972 7.942 -13.214 184 HG SER 26 HG SER 26 -9.795 8.665 -11.397 185 H LYS 27 H LYS 27 -10.571 4.184 -11.291 186 HA LYS 27 HA LYS 27 -12.058 5.316 -9.174 187 1HB LYS 27 2HB LYS 27 -10.727 2.613 -9.341 188 2HB LYS 27 1HB LYS 27 -11.768 3.085 -8.015 189 1HG LYS 27 2HG LYS 27 -13.516 3.520 -9.863 190 2HG LYS 27 1HG LYS 27 -12.439 2.581 -10.866 191 1HD LYS 27 2HD LYS 27 -13.497 1.575 -8.225 192 2HD LYS 27 1HD LYS 27 -14.230 1.191 -9.775 193 1HE LYS 27 2HE LYS 27 -11.396 0.554 -8.959 194 2HE LYS 27 1HE LYS 27 -12.734 -0.593 -8.973 195 1HZ LYS 27 1HZ LYS 27 -12.968 -0.230 -11.330 196 2HZ LYS 27 2HZ LYS 27 -11.474 -0.831 -10.983 197 3HZ LYS 27 3HZ LYS 27 -11.665 0.824 -11.359 198 HA PRO 28 HA PRO 28 -9.422 6.875 -6.012 199 1HB PRO 28 2HB PRO 28 -10.439 4.596 -4.378 200 2HB PRO 28 1HB PRO 28 -10.249 6.299 -3.937 201 1HG PRO 28 2HG PRO 28 -12.631 5.335 -4.569 202 2HG PRO 28 1HG PRO 28 -12.138 6.948 -5.094 203 1HD PRO 28 2HD PRO 28 -12.439 4.469 -6.670 204 2HD PRO 28 1HD PRO 28 -12.572 6.158 -7.189 205 H ILE 29 H ILE 29 -7.418 6.601 -5.411 206 HA ILE 29 HA ILE 29 -6.151 4.058 -6.096 207 HB ILE 29 HB ILE 29 -4.807 6.790 -5.808 208 1HG1 ILE 29 2HG1 ILE 29 -4.522 6.715 -8.300 209 2HG1 ILE 29 1HG1 ILE 29 -5.666 5.373 -8.362 210 1HG2 ILE 29 1HG2 ILE 29 -3.325 4.886 -5.446 211 2HG2 ILE 29 2HG2 ILE 29 -2.927 5.725 -6.949 212 3HG2 ILE 29 3HG2 ILE 29 -3.824 4.212 -6.996 213 1HD1 ILE 29 1HD1 ILE 29 -6.154 8.200 -7.486 214 2HD1 ILE 29 2HD1 ILE 29 -7.377 6.921 -7.476 215 3HD1 ILE 29 3HD1 ILE 29 -6.669 7.472 -9.004 216 H TYR 30 H TYR 30 -4.815 3.035 -4.483 217 HA TYR 30 HA TYR 30 -4.773 4.327 -1.931 218 1HB TYR 30 2HB TYR 30 -5.969 1.612 -2.483 219 2HB TYR 30 1HB TYR 30 -5.540 2.209 -0.886 220 HD1 TYR 30 1HD TYR 30 -6.700 4.407 -0.164 221 HD2 TYR 30 2HD TYR 30 -8.113 1.921 -3.293 222 HE1 TYR 30 1HE TYR 30 -8.928 5.392 0.072 223 HE2 TYR 30 2HE TYR 30 -10.357 2.903 -3.068 224 HH TYR 30 HH TYR 30 -10.907 5.728 -1.325 225 H VAL 31 H VAL 31 -3.162 3.596 -0.730 226 HA VAL 31 HA VAL 31 -1.558 1.485 -1.856 227 HB VAL 31 HB VAL 31 -0.316 3.475 -2.503 228 1HG1 VAL 31 1HG1 VAL 31 -0.460 4.346 0.358 229 2HG1 VAL 31 2HG1 VAL 31 -1.311 5.067 -1.036 230 3HG1 VAL 31 3HG1 VAL 31 0.458 5.089 -0.963 231 1HG2 VAL 31 1HG2 VAL 31 1.705 3.214 -1.210 232 2HG2 VAL 31 2HG2 VAL 31 0.926 1.694 -1.787 233 3HG2 VAL 31 3HG2 VAL 31 0.788 2.177 -0.080 234 H ALA 32 H ALA 32 -1.035 0.036 -0.450 235 HA ALA 32 HA ALA 32 -1.727 0.643 2.310 236 1HB ALA 32 1HB ALA 32 -2.154 -1.712 2.591 237 2HB ALA 32 2HB ALA 32 -1.606 -2.017 0.943 238 3HB ALA 32 3HB ALA 32 -3.075 -1.092 1.218 239 H ILE 33 H ILE 33 -0.331 0.266 3.866 240 HA ILE 33 HA ILE 33 2.220 -0.958 3.151 241 HB ILE 33 HB ILE 33 1.923 1.592 4.749 242 1HG1 ILE 33 2HG1 ILE 33 3.277 1.042 2.109 243 2HG1 ILE 33 1HG1 ILE 33 1.781 1.938 2.312 244 1HG2 ILE 33 1HG2 ILE 33 4.367 -0.044 4.151 245 2HG2 ILE 33 2HG2 ILE 33 3.608 0.162 5.724 246 3HG2 ILE 33 3HG2 ILE 33 4.371 1.547 4.905 247 1HD1 ILE 33 1HD1 ILE 33 3.632 3.406 1.958 248 2HD1 ILE 33 2HD1 ILE 33 4.479 2.690 3.346 249 3HD1 ILE 33 3HD1 ILE 33 2.995 3.622 3.594 250 H LYS 34 H LYS 34 2.415 -2.648 4.322 251 HA LYS 34 HA LYS 34 2.524 -4.066 5.988 252 1HB LYS 34 2HB LYS 34 3.914 -2.208 6.951 253 2HB LYS 34 1HB LYS 34 2.480 -1.592 7.753 254 1HG LYS 34 2HG LYS 34 2.317 -3.543 9.066 255 2HG LYS 34 1HG LYS 34 3.676 -4.311 8.235 256 1HD LYS 34 2HD LYS 34 5.151 -2.529 9.062 257 2HD LYS 34 1HD LYS 34 3.779 -1.784 9.891 258 1HE LYS 34 2HE LYS 34 4.868 -4.544 10.415 259 2HE LYS 34 1HE LYS 34 5.162 -3.123 11.414 260 1HZ LYS 34 1HZ LYS 34 2.490 -4.312 10.882 261 2HZ LYS 34 2HZ LYS 34 2.827 -2.990 11.894 262 3HZ LYS 34 3HZ LYS 34 3.401 -4.523 12.290 263 H GLY 35 H GLY 35 0.005 -3.150 4.905 264 1HA GLY 35 2HA GLY 35 -2.021 -4.238 5.232 265 2HA GLY 35 1HA GLY 35 -1.749 -4.347 6.923 266 H ARG 36 H ARG 36 -0.937 -1.226 6.109 267 HA ARG 36 HA ARG 36 -3.614 -0.345 6.910 268 1HB ARG 36 2HB ARG 36 -1.036 1.237 6.931 269 2HB ARG 36 1HB ARG 36 -2.562 1.681 7.688 270 1HG ARG 36 2HG ARG 36 -2.332 -0.327 9.152 271 2HG ARG 36 1HG ARG 36 -0.735 -0.562 8.423 272 1HD ARG 36 2HD ARG 36 -1.641 1.837 10.021 273 2HD ARG 36 1HD ARG 36 -0.546 0.574 10.571 274 HE ARG 36 HE ARG 36 0.059 2.810 8.865 275 1HH1 ARG 36 1HH1 ARG 36 1.202 -0.452 9.868 276 2HH1 ARG 36 2HH1 ARG 36 2.821 -0.013 9.500 277 1HH2 ARG 36 1HH2 ARG 36 2.238 3.221 8.459 278 2HH2 ARG 36 2HH2 ARG 36 3.407 1.953 8.738 279 H VAL 37 H VAL 37 -4.848 0.555 5.408 280 HA VAL 37 HA VAL 37 -3.660 1.154 2.828 281 HB VAL 37 HB VAL 37 -6.566 0.931 3.673 282 1HG1 VAL 37 1HG1 VAL 37 -7.106 1.138 1.298 283 2HG1 VAL 37 2HG1 VAL 37 -5.401 1.430 0.936 284 3HG1 VAL 37 3HG1 VAL 37 -6.317 2.602 1.896 285 1HG2 VAL 37 1HG2 VAL 37 -5.336 -1.173 3.527 286 2HG2 VAL 37 2HG2 VAL 37 -4.859 -0.761 1.874 287 3HG2 VAL 37 3HG2 VAL 37 -6.551 -1.036 2.256 288 H PHE 38 H PHE 38 -3.127 3.078 2.256 289 HA PHE 38 HA PHE 38 -4.248 5.422 3.623 290 1HB PHE 38 2HB PHE 38 -1.845 5.015 1.911 291 2HB PHE 38 1HB PHE 38 -2.281 6.569 2.613 292 HD1 PHE 38 1HD PHE 38 -1.806 7.007 4.928 293 HD2 PHE 38 2HD PHE 38 -0.959 3.200 3.253 294 HE1 PHE 38 1HE PHE 38 -0.447 6.449 6.885 295 HE2 PHE 38 2HE PHE 38 0.398 2.633 5.226 296 HZ PHE 38 HZ PHE 38 0.661 4.258 7.033 297 H ASP 39 H ASP 39 -5.102 7.064 2.326 298 HA ASP 39 HA ASP 39 -5.856 6.253 -0.387 299 1HB ASP 39 2HB ASP 39 -7.622 7.194 1.100 300 2HB ASP 39 1HB ASP 39 -6.725 8.708 1.178 301 H VAL 40 H VAL 40 -4.781 6.911 -2.082 302 HA VAL 40 HA VAL 40 -3.243 9.395 -1.872 303 HB VAL 40 HB VAL 40 -1.736 8.438 -3.718 304 1HG1 VAL 40 1HG1 VAL 40 -0.969 8.735 -1.454 305 2HG1 VAL 40 2HG1 VAL 40 -0.317 7.267 -2.174 306 3HG1 VAL 40 3HG1 VAL 40 -1.640 7.163 -0.995 307 1HG2 VAL 40 1HG2 VAL 40 -2.936 5.862 -2.733 308 2HG2 VAL 40 2HG2 VAL 40 -1.549 6.012 -3.819 309 3HG2 VAL 40 3HG2 VAL 40 -3.145 6.574 -4.330 310 H THR 41 H THR 41 -6.009 8.829 -2.773 311 HA THR 41 HA THR 41 -6.040 9.241 -5.579 312 HB THR 41 HB THR 41 -8.198 9.977 -3.564 313 HG1 THR 41 1HG THR 41 -8.114 7.907 -3.157 314 1HG2 THR 41 1HG2 THR 41 -8.309 9.132 -6.463 315 2HG2 THR 41 2HG2 THR 41 -8.577 10.773 -5.864 316 3HG2 THR 41 3HG2 THR 41 -9.714 9.486 -5.454 317 H THR 42 H THR 42 -5.635 11.159 -2.774 318 HA THR 42 HA THR 42 -6.112 13.718 -3.865 319 HB THR 42 HB THR 42 -6.031 13.334 -1.432 320 HG1 THR 42 1HG THR 42 -5.519 15.414 -2.253 321 1HG2 THR 42 1HG2 THR 42 -3.877 13.015 -0.261 322 2HG2 THR 42 2HG2 THR 42 -3.066 12.862 -1.821 323 3HG2 THR 42 3HG2 THR 42 -4.250 11.657 -1.322 324 H GLY 43 H GLY 43 -3.526 11.455 -4.187 325 1HA GLY 43 2HA GLY 43 -1.897 13.463 -5.590 326 2HA GLY 43 1HA GLY 43 -1.209 12.108 -4.697 327 H LYS 44 H LYS 44 -4.051 12.065 -6.687 328 HA LYS 44 HA LYS 44 -3.438 9.672 -7.996 329 1HB LYS 44 2HB LYS 44 -5.723 10.427 -7.694 330 2HB LYS 44 1HB LYS 44 -5.425 11.850 -8.652 331 1HG LYS 44 2HG LYS 44 -5.234 9.114 -9.879 332 2HG LYS 44 1HG LYS 44 -6.799 9.882 -9.650 333 1HD LYS 44 2HD LYS 44 -5.984 11.802 -10.961 334 2HD LYS 44 1HD LYS 44 -4.475 10.940 -11.262 335 1HE LYS 44 2HE LYS 44 -5.653 9.192 -12.435 336 2HE LYS 44 1HE LYS 44 -7.206 9.909 -12.013 337 1HZ LYS 44 1HZ LYS 44 -6.618 11.845 -13.363 338 2HZ LYS 44 2HZ LYS 44 -6.591 10.447 -14.284 339 3HZ LYS 44 3HZ LYS 44 -5.148 11.139 -13.784 340 H SER 45 H SER 45 -2.609 12.911 -8.798 341 HA SER 45 HA SER 45 -1.945 12.491 -11.520 342 1HB SER 45 2HB SER 45 -0.826 14.532 -9.591 343 2HB SER 45 1HB SER 45 -0.853 14.647 -11.353 344 HG SER 45 HG SER 45 -3.192 14.530 -11.171 345 H PHE 46 H PHE 46 -0.370 11.668 -8.546 346 HA PHE 46 HA PHE 46 2.214 11.301 -9.897 347 1HB PHE 46 2HB PHE 46 1.590 11.466 -6.946 348 2HB PHE 46 1HB PHE 46 3.184 11.178 -7.613 349 HD1 PHE 46 1HD PHE 46 4.317 12.977 -8.892 350 HD2 PHE 46 2HD PHE 46 0.664 13.639 -6.813 351 HE1 PHE 46 1HE PHE 46 4.716 15.406 -8.973 352 HE2 PHE 46 2HE PHE 46 1.056 16.067 -6.892 353 HZ PHE 46 HZ PHE 46 3.083 16.951 -7.974 354 H TYR 47 H TYR 47 -0.278 9.593 -8.046 355 HA TYR 47 HA TYR 47 1.349 7.159 -8.136 356 1HB TYR 47 2HB TYR 47 -1.057 7.920 -6.501 357 2HB TYR 47 1HB TYR 47 -0.349 6.319 -6.469 358 HD1 TYR 47 1HD TYR 47 0.344 9.901 -5.791 359 HD2 TYR 47 2HD TYR 47 1.500 5.881 -5.041 360 HE1 TYR 47 1HE TYR 47 1.876 10.677 -4.050 361 HE2 TYR 47 2HE TYR 47 3.050 6.653 -3.288 362 HH TYR 47 HH TYR 47 2.890 9.786 -2.072 363 H GLY 48 H GLY 48 -1.450 8.575 -9.585 364 1HA GLY 48 2HA GLY 48 -3.113 6.315 -9.602 365 2HA GLY 48 1HA GLY 48 -3.337 7.773 -10.533 366 H SER 49 H SER 49 -2.725 7.732 -12.663 367 HA SER 49 HA SER 49 -3.122 5.037 -13.700 368 1HB SER 49 2HB SER 49 -3.263 7.677 -15.118 369 2HB SER 49 1HB SER 49 -3.779 6.122 -15.780 370 HG SER 49 HG SER 49 -5.206 6.023 -13.892 371 H GLY 50 H GLY 50 -0.721 7.528 -13.894 372 1HA GLY 50 2HA GLY 50 1.159 5.683 -15.022 373 2HA GLY 50 1HA GLY 50 0.690 6.987 -16.116 374 H GLY 51 H GLY 51 1.195 6.808 -12.661 375 1HA GLY 51 2HA GLY 51 2.607 9.309 -12.845 376 2HA GLY 51 1HA GLY 51 1.982 8.567 -11.387 377 H ASP 52 H ASP 52 4.445 9.446 -11.198 378 HA ASP 52 HA ASP 52 6.392 7.447 -11.914 379 1HB ASP 52 2HB ASP 52 6.972 9.861 -11.849 380 2HB ASP 52 1HB ASP 52 6.676 9.870 -10.118 381 H TYR 53 H TYR 53 4.167 7.797 -9.441 382 HA TYR 53 HA TYR 53 5.702 6.065 -7.626 383 1HB TYR 53 2HB TYR 53 3.509 8.055 -7.023 384 2HB TYR 53 1HB TYR 53 4.217 6.965 -5.839 385 HD1 TYR 53 1HD TYR 53 4.808 9.921 -7.943 386 HD2 TYR 53 2HD TYR 53 6.376 7.406 -4.901 387 HE1 TYR 53 1HE TYR 53 6.544 11.588 -7.470 388 HE2 TYR 53 2HE TYR 53 8.118 9.062 -4.419 389 HH TYR 53 HH TYR 53 7.986 12.216 -5.657 390 H SER 54 H SER 54 3.837 5.578 -9.985 391 HA SER 54 HA SER 54 1.433 4.518 -9.060 392 1HB SER 54 2HB SER 54 2.984 4.176 -11.560 393 2HB SER 54 1HB SER 54 1.478 3.301 -11.299 394 HG SER 54 HG SER 54 0.537 5.365 -10.859 395 H MET 55 H MET 55 4.460 3.212 -8.543 396 HA MET 55 HA MET 55 3.964 0.444 -8.838 397 1HB MET 55 2HB MET 55 5.726 1.751 -6.769 398 2HB MET 55 1HB MET 55 5.824 0.097 -7.338 399 1HG MET 55 2HG MET 55 7.563 1.219 -8.340 400 2HG MET 55 1HG MET 55 6.325 1.041 -9.593 401 1HE MET 55 1HE MET 55 7.546 2.847 -11.098 402 2HE MET 55 2HE MET 55 8.788 3.099 -9.865 403 3HE MET 55 3HE MET 55 7.942 4.479 -10.558 404 H PHE 56 H PHE 56 3.252 2.773 -6.395 405 HA PHE 56 HA PHE 56 2.573 0.884 -4.328 406 1HB PHE 56 2HB PHE 56 2.144 3.852 -4.513 407 2HB PHE 56 1HB PHE 56 1.968 2.870 -3.073 408 HD1 PHE 56 1HD PHE 56 4.016 5.115 -4.629 409 HD2 PHE 56 2HD PHE 56 4.203 1.355 -2.665 410 HE1 PHE 56 1HE PHE 56 6.363 5.516 -4.109 411 HE2 PHE 56 2HE PHE 56 6.546 1.741 -2.128 412 HZ PHE 56 HZ PHE 56 7.656 3.831 -2.852 413 H ALA 57 H ALA 57 0.985 2.719 -6.755 414 HA ALA 57 HA ALA 57 -1.579 3.000 -5.783 415 1HB ALA 57 1HB ALA 57 -0.707 2.603 -8.618 416 2HB ALA 57 2HB ALA 57 -0.728 4.133 -7.741 417 3HB ALA 57 3HB ALA 57 -2.239 3.292 -8.094 418 H GLY 58 H GLY 58 -2.793 1.369 -5.011 419 1HA GLY 58 2HA GLY 58 -4.512 -0.173 -5.505 420 2HA GLY 58 1HA GLY 58 -3.655 -0.608 -6.969 421 H LYS 59 H LYS 59 -1.573 -0.386 -4.381 422 HA LYS 59 HA LYS 59 -1.798 -3.213 -3.845 423 1HB LYS 59 2HB LYS 59 0.196 -1.722 -5.253 424 2HB LYS 59 1HB LYS 59 0.814 -2.784 -4.009 425 1HG LYS 59 2HG LYS 59 -0.107 -4.646 -4.983 426 2HG LYS 59 1HG LYS 59 -1.152 -3.706 -6.072 427 1HD LYS 59 2HD LYS 59 1.830 -3.668 -6.077 428 2HD LYS 59 1HD LYS 59 0.856 -4.764 -7.044 429 1HE LYS 59 2HE LYS 59 -0.244 -2.784 -8.096 430 2HE LYS 59 1HE LYS 59 0.769 -1.735 -7.115 431 1HZ LYS 59 1HZ LYS 59 1.598 -1.960 -9.373 432 2HZ LYS 59 2HZ LYS 59 1.742 -3.611 -9.201 433 3HZ LYS 59 3HZ LYS 59 2.710 -2.576 -8.278 434 H ASP 60 H ASP 60 -0.595 -3.876 -2.198 435 HA ASP 60 HA ASP 60 0.178 -1.906 -0.178 436 1HB ASP 60 2HB ASP 60 -1.113 -3.931 0.593 437 2HB ASP 60 1HB ASP 60 0.173 -4.938 -0.046 438 H ALA 61 H ALA 61 2.302 -1.668 0.289 439 HA ALA 61 HA ALA 61 4.074 -2.963 -1.672 440 1HB ALA 61 1HB ALA 61 3.540 -0.717 -2.281 441 2HB ALA 61 2HB ALA 61 5.260 -0.855 -1.895 442 3HB ALA 61 3HB ALA 61 4.141 -0.112 -0.742 443 H SER 62 H SER 62 3.627 -3.729 1.168 444 HA SER 62 HA SER 62 5.579 -2.797 2.875 445 1HB SER 62 2HB SER 62 4.493 -5.605 2.704 446 2HB SER 62 1HB SER 62 5.359 -4.908 4.076 447 HG SER 62 HG SER 62 2.854 -4.217 3.008 448 H ARG 63 H ARG 63 5.848 -5.543 0.643 449 HA ARG 63 HA ARG 63 8.559 -6.079 1.304 450 1HB ARG 63 2HB ARG 63 7.338 -7.887 0.474 451 2HB ARG 63 1HB ARG 63 6.758 -6.998 -0.910 452 1HG ARG 63 2HG ARG 63 9.045 -7.030 -1.848 453 2HG ARG 63 1HG ARG 63 9.598 -7.928 -0.434 454 1HD ARG 63 2HD ARG 63 8.285 -9.782 -0.988 455 2HD ARG 63 1HD ARG 63 7.405 -8.907 -2.253 456 HE ARG 63 HE ARG 63 10.060 -8.812 -2.964 457 1HH1 ARG 63 1HH1 ARG 63 7.766 -11.448 -2.374 458 2HH1 ARG 63 2HH1 ARG 63 8.451 -12.488 -3.524 459 1HH2 ARG 63 1HH2 ARG 63 10.964 -10.159 -4.514 460 2HH2 ARG 63 2HH2 ARG 63 10.364 -11.749 -4.788 461 H ALA 64 H ALA 64 7.051 -3.911 -0.933 462 HA ALA 64 HA ALA 64 9.318 -3.694 -2.692 463 1HB ALA 64 1HB ALA 64 8.035 -1.855 -3.722 464 2HB ALA 64 2HB ALA 64 6.837 -1.990 -2.434 465 3HB ALA 64 3HB ALA 64 7.075 -3.323 -3.562 466 H LEU 65 H LEU 65 7.914 -2.075 -0.021 467 HA LEU 65 HA LEU 65 9.600 0.190 -0.005 468 1HB LEU 65 2HB LEU 65 7.863 -1.109 2.007 469 2HB LEU 65 1HB LEU 65 8.767 0.348 2.336 470 HG LEU 65 HG LEU 65 6.552 0.022 0.307 471 1HD1 LEU 65 1HD1 LEU 65 5.786 0.138 2.594 472 2HD1 LEU 65 2HD1 LEU 65 5.408 1.630 1.730 473 3HD1 LEU 65 3HD1 LEU 65 6.739 1.589 2.874 474 1HD2 LEU 65 1HD2 LEU 65 6.840 2.456 0.028 475 2HD2 LEU 65 2HD2 LEU 65 8.234 1.497 -0.529 476 3HD2 LEU 65 3HD2 LEU 65 8.278 2.295 1.053 477 H GLY 66 H GLY 66 9.855 -2.957 1.478 478 1HA GLY 66 2HA GLY 66 12.047 -2.114 3.099 479 2HA GLY 66 1HA GLY 66 11.574 -3.774 2.857 480 H LYS 67 H LYS 67 11.780 -3.514 -0.073 481 HA LYS 67 HA LYS 67 14.661 -3.867 -0.185 482 1HB LYS 67 2HB LYS 67 12.577 -4.440 -2.294 483 2HB LYS 67 1HB LYS 67 14.271 -4.925 -2.326 484 1HG LYS 67 2HG LYS 67 13.884 -6.290 -0.298 485 2HG LYS 67 1HG LYS 67 12.170 -5.868 -0.375 486 1HD LYS 67 2HD LYS 67 12.532 -8.051 -1.324 487 2HD LYS 67 1HD LYS 67 12.042 -6.923 -2.587 488 1HE LYS 67 2HE LYS 67 14.334 -6.687 -3.315 489 2HE LYS 67 1HE LYS 67 14.874 -7.698 -1.974 490 1HZ LYS 67 1HZ LYS 67 14.736 -8.889 -4.108 491 2HZ LYS 67 2HZ LYS 67 13.050 -8.622 -4.134 492 3HZ LYS 67 3HZ LYS 67 13.748 -9.561 -2.931 493 H MET 68 H MET 68 12.173 -1.735 -1.299 494 HA MET 68 HA MET 68 12.176 0.345 -2.032 495 1HB MET 68 2HB MET 68 15.192 0.149 -2.329 496 2HB MET 68 1HB MET 68 14.246 1.612 -2.602 497 1HG MET 68 2HG MET 68 13.498 1.521 -0.254 498 2HG MET 68 1HG MET 68 14.508 0.104 -0.025 499 1HE MET 68 1HE MET 68 15.369 3.328 -2.148 500 2HE MET 68 2HE MET 68 16.158 4.317 -0.917 501 3HE MET 68 3HE MET 68 14.443 3.942 -0.779 502 H SER 69 H SER 69 12.292 -2.191 -3.408 503 HA SER 69 HA SER 69 12.943 -1.604 -6.149 504 1HB SER 69 2HB SER 69 11.511 -3.903 -4.847 505 2HB SER 69 1HB SER 69 12.148 -3.867 -6.484 506 HG SER 69 HG SER 69 13.834 -4.680 -5.586 507 H LYS 70 H LYS 70 11.717 -1.013 -7.603 508 HA LYS 70 HA LYS 70 8.994 -0.185 -6.979 509 1HB LYS 70 2HB LYS 70 11.018 0.541 -9.055 510 2HB LYS 70 1HB LYS 70 9.395 1.207 -9.023 511 1HG LYS 70 2HG LYS 70 9.780 2.445 -7.161 512 2HG LYS 70 1HG LYS 70 10.994 1.319 -6.554 513 1HD LYS 70 2HD LYS 70 12.581 2.076 -8.108 514 2HD LYS 70 1HD LYS 70 11.400 3.027 -8.983 515 1HE LYS 70 2HE LYS 70 12.823 4.463 -7.568 516 2HE LYS 70 1HE LYS 70 11.168 4.485 -6.976 517 1HZ LYS 70 1HZ LYS 70 13.355 2.809 -5.829 518 2HZ LYS 70 2HZ LYS 70 11.778 2.942 -5.226 519 3HZ LYS 70 3HZ LYS 70 12.796 4.261 -5.204 520 H ASN 71 H ASN 71 10.807 -2.463 -8.655 521 HA ASN 71 HA ASN 71 9.069 -3.027 -10.798 522 1HB ASN 71 2HB ASN 71 10.041 -5.249 -10.799 523 2HB ASN 71 1HB ASN 71 11.267 -3.965 -10.967 524 1HD2 ASN 71 1HD2 ASN 71 10.122 -6.615 -9.113 525 2HD2 ASN 71 2HD2 ASN 71 11.314 -6.575 -7.857 526 H GLU 72 H GLU 72 7.507 -4.395 -11.077 527 HA GLU 72 HA GLU 72 5.649 -4.646 -9.045 528 1HB GLU 72 2HB GLU 72 4.469 -6.096 -10.571 529 2HB GLU 72 1HB GLU 72 4.906 -4.538 -11.290 530 1HG GLU 72 2HG GLU 72 6.787 -5.762 -12.419 531 2HG GLU 72 1HG GLU 72 6.136 -7.258 -11.751 532 H GLU 73 H GLU 73 8.084 -6.877 -10.053 533 HA GLU 73 HA GLU 73 7.155 -9.307 -9.033 534 1HB GLU 73 2HB GLU 73 10.006 -8.331 -8.974 535 2HB GLU 73 1HB GLU 73 9.480 -9.990 -8.812 536 1HG GLU 73 2HG GLU 73 8.640 -9.966 -11.082 537 2HG GLU 73 1HG GLU 73 9.121 -8.274 -11.251 538 H ASP 74 H ASP 74 8.552 -6.565 -7.320 539 HA ASP 74 HA ASP 74 8.579 -8.174 -4.884 540 1HB ASP 74 2HB ASP 74 10.144 -5.684 -5.551 541 2HB ASP 74 1HB ASP 74 10.070 -6.376 -3.936 542 H VAL 75 H VAL 75 6.447 -6.281 -6.304 543 HA VAL 75 HA VAL 75 5.815 -4.824 -3.853 544 HB VAL 75 HB VAL 75 4.242 -4.716 -6.460 545 1HG1 VAL 75 1HG1 VAL 75 4.415 -2.826 -4.125 546 2HG1 VAL 75 2HG1 VAL 75 3.054 -3.888 -4.479 547 3HG1 VAL 75 3HG1 VAL 75 3.476 -2.556 -5.582 548 1HG2 VAL 75 1HG2 VAL 75 6.542 -4.027 -6.893 549 2HG2 VAL 75 2HG2 VAL 75 6.433 -2.857 -5.564 550 3HG2 VAL 75 3HG2 VAL 75 5.429 -2.657 -6.998 551 H SER 76 H SER 76 4.171 -5.401 -2.540 552 HA SER 76 HA SER 76 2.225 -7.331 -2.949 553 1HB SER 76 2HB SER 76 4.155 -8.792 -3.468 554 2HB SER 76 1HB SER 76 4.839 -8.451 -1.890 555 HG SER 76 HG SER 76 2.890 -10.200 -2.600 556 HA PRO 77 HA PRO 77 1.378 -5.904 1.256 557 1HB PRO 77 2HB PRO 77 -0.231 -7.951 2.074 558 2HB PRO 77 1HB PRO 77 -0.778 -6.667 0.991 559 1HG PRO 77 2HG PRO 77 0.190 -9.420 0.312 560 2HG PRO 77 1HG PRO 77 -1.228 -8.554 -0.304 561 1HD PRO 77 2HD PRO 77 1.012 -8.696 -1.735 562 2HD PRO 77 1HD PRO 77 0.054 -7.197 -1.697 563 H SER 78 H SER 78 2.788 -8.912 0.570 564 HA SER 78 HA SER 78 3.359 -9.423 3.370 565 1HB SER 78 2HB SER 78 3.749 -11.086 0.899 566 2HB SER 78 1HB SER 78 4.145 -11.605 2.535 567 HG SER 78 HG SER 78 1.659 -11.353 1.306 568 H LEU 79 H LEU 79 5.284 -8.972 4.221 569 HA LEU 79 HA LEU 79 7.321 -8.032 2.455 570 1HB LEU 79 2HB LEU 79 8.661 -7.666 4.724 571 2HB LEU 79 1HB LEU 79 7.455 -6.532 4.165 572 HG LEU 79 HG LEU 79 6.853 -8.662 6.243 573 1HD1 LEU 79 1HD1 LEU 79 8.706 -7.216 7.006 574 2HD1 LEU 79 2HD1 LEU 79 7.218 -6.833 7.872 575 3HD1 LEU 79 3HD1 LEU 79 7.777 -5.788 6.574 576 1HD2 LEU 79 1HD2 LEU 79 4.983 -7.510 5.020 577 2HD2 LEU 79 2HD2 LEU 79 5.623 -5.991 5.639 578 3HD2 LEU 79 3HD2 LEU 79 5.008 -7.203 6.763 579 H GLU 80 H GLU 80 6.534 -10.940 3.323 580 HA GLU 80 HA GLU 80 7.345 -12.860 2.784 581 1HB GLU 80 2HB GLU 80 7.649 -11.843 0.692 582 2HB GLU 80 1HB GLU 80 9.224 -11.205 1.122 583 1HG GLU 80 2HG GLU 80 9.487 -13.087 -0.331 584 2HG GLU 80 1HG GLU 80 10.019 -13.418 1.337 585 H GLY 81 H GLY 81 10.673 -11.778 2.476 586 1HA GLY 81 2HA GLY 81 11.135 -13.278 4.872 587 2HA GLY 81 1HA GLY 81 12.058 -13.655 3.421 588 H LEU 82 H LEU 82 11.226 -10.401 4.005 589 HA LEU 82 HA LEU 82 13.797 -9.429 3.977 590 1HB LEU 82 2HB LEU 82 11.201 -8.305 4.942 591 2HB LEU 82 1HB LEU 82 12.674 -7.358 4.801 592 HG LEU 82 HG LEU 82 11.515 -8.828 2.441 593 1HD1 LEU 82 1HD1 LEU 82 11.045 -6.032 3.409 594 2HD1 LEU 82 2HD1 LEU 82 9.852 -7.380 3.205 595 3HD1 LEU 82 3HD1 LEU 82 10.623 -6.665 1.796 596 1HD2 LEU 82 1HD2 LEU 82 12.887 -7.332 1.209 597 2HD2 LEU 82 2HD2 LEU 82 13.909 -8.010 2.524 598 3HD2 LEU 82 3HD2 LEU 82 13.163 -6.419 2.679 599 H THR 83 H THR 83 15.233 -9.075 5.454 600 HA THR 83 HA THR 83 14.771 -10.049 8.106 601 HB THR 83 HB THR 83 16.875 -10.650 7.004 602 HG1 THR 83 1HG THR 83 17.432 -10.660 9.026 603 1HG2 THR 83 1HG2 THR 83 17.454 -7.696 6.989 604 2HG2 THR 83 2HG2 THR 83 17.196 -8.719 5.575 605 3HG2 THR 83 3HG2 THR 83 18.626 -8.949 6.585 606 H GLU 84 H GLU 84 16.072 -8.532 9.797 607 HA GLU 84 HA GLU 84 14.119 -6.671 10.484 608 1HB GLU 84 2HB GLU 84 15.917 -7.961 11.874 609 2HB GLU 84 1HB GLU 84 16.914 -6.557 11.582 610 1HG GLU 84 2HG GLU 84 14.216 -6.450 12.871 611 2HG GLU 84 1HG GLU 84 15.702 -6.626 13.815 612 H LYS 85 H LYS 85 17.394 -6.024 9.125 613 HA LYS 85 HA LYS 85 17.227 -3.186 9.096 614 1HB LYS 85 2HB LYS 85 18.953 -3.238 7.352 615 2HB LYS 85 1HB LYS 85 19.343 -4.333 8.679 616 1HG LYS 85 2HG LYS 85 18.701 -6.207 7.448 617 2HG LYS 85 1HG LYS 85 17.892 -5.242 6.273 618 1HD LYS 85 2HD LYS 85 19.664 -4.410 5.326 619 2HD LYS 85 1HD LYS 85 20.885 -4.909 6.556 620 1HE LYS 85 2HE LYS 85 20.376 -7.268 5.757 621 2HE LYS 85 1HE LYS 85 19.320 -6.567 4.533 622 1HZ LYS 85 1HZ LYS 85 21.218 -5.411 3.607 623 2HZ LYS 85 2HZ LYS 85 21.511 -7.074 3.628 624 3HZ LYS 85 3HZ LYS 85 22.243 -6.076 4.772 625 H GLU 86 H GLU 86 16.079 -5.604 6.790 626 HA GLU 86 HA GLU 86 15.721 -3.875 4.608 627 1HB GLU 86 2HB GLU 86 14.684 -6.563 5.363 628 2HB GLU 86 1HB GLU 86 14.352 -5.768 3.839 629 1HG GLU 86 2HG GLU 86 17.065 -6.576 4.887 630 2HG GLU 86 1HG GLU 86 16.152 -7.425 3.647 631 H ILE 87 H ILE 87 13.748 -5.380 7.001 632 HA ILE 87 HA ILE 87 11.350 -4.213 6.290 633 HB ILE 87 HB ILE 87 12.470 -5.259 8.811 634 1HG1 ILE 87 2HG1 ILE 87 10.555 -6.446 6.818 635 2HG1 ILE 87 1HG1 ILE 87 12.219 -6.878 7.081 636 1HG2 ILE 87 1HG2 ILE 87 10.092 -5.326 9.653 637 2HG2 ILE 87 2HG2 ILE 87 9.639 -4.512 8.133 638 3HG2 ILE 87 3HG2 ILE 87 10.668 -3.673 9.307 639 1HD1 ILE 87 1HD1 ILE 87 9.999 -7.242 9.079 640 2HD1 ILE 87 2HD1 ILE 87 11.686 -7.697 9.322 641 3HD1 ILE 87 3HD1 ILE 87 10.718 -8.517 8.092 642 H ASN 88 H ASN 88 14.022 -3.106 8.424 643 HA ASN 88 HA ASN 88 12.776 -0.802 9.445 644 1HB ASN 88 2HB ASN 88 15.609 -1.434 8.905 645 2HB ASN 88 1HB ASN 88 15.155 0.246 9.190 646 1HD2 ASN 88 1HD2 ASN 88 15.339 -2.923 10.509 647 2HD2 ASN 88 2HD2 ASN 88 15.120 -2.517 12.143 648 H THR 89 H THR 89 14.228 -1.306 6.373 649 HA THR 89 HA THR 89 14.254 1.324 5.497 650 HB THR 89 HB THR 89 14.007 -1.301 4.054 651 HG1 THR 89 1HG THR 89 16.026 -1.319 4.658 652 1HG2 THR 89 1HG2 THR 89 14.530 1.437 2.957 653 2HG2 THR 89 2HG2 THR 89 13.114 0.376 2.671 654 3HG2 THR 89 3HG2 THR 89 14.706 -0.092 2.061 655 H LEU 90 H LEU 90 11.724 -1.109 5.443 656 HA LEU 90 HA LEU 90 9.851 0.441 3.925 657 1HB LEU 90 2HB LEU 90 9.147 -1.620 3.687 658 2HB LEU 90 1HB LEU 90 10.027 -2.228 5.033 659 HG LEU 90 HG LEU 90 8.002 -1.017 6.304 660 1HD1 LEU 90 1HD1 LEU 90 6.942 -0.082 4.502 661 2HD1 LEU 90 2HD1 LEU 90 5.906 -1.363 5.157 662 3HD1 LEU 90 3HD1 LEU 90 6.834 -1.633 3.680 663 1HD2 LEU 90 1HD2 LEU 90 8.588 -3.302 6.606 664 2HD2 LEU 90 2HD2 LEU 90 7.849 -3.725 5.051 665 3HD2 LEU 90 3HD2 LEU 90 6.836 -3.131 6.394 666 H ASN 91 H ASN 91 10.476 -0.350 7.242 667 HA ASN 91 HA ASN 91 8.382 0.893 8.528 668 1HB ASN 91 2HB ASN 91 11.224 0.408 9.258 669 2HB ASN 91 1HB ASN 91 10.202 1.324 10.327 670 1HD2 ASN 91 1HD2 ASN 91 8.908 -1.330 8.438 671 2HD2 ASN 91 2HD2 ASN 91 8.685 -2.413 9.756 672 H ASP 92 H ASP 92 11.375 2.346 7.361 673 HA ASP 92 HA ASP 92 10.766 5.031 8.211 674 1HB ASP 92 2HB ASP 92 13.059 4.367 7.715 675 2HB ASP 92 1HB ASP 92 12.614 3.985 6.058 676 H TRP 93 H TRP 93 10.112 3.206 5.325 677 HA TRP 93 HA TRP 93 8.994 5.343 3.862 678 1HB TRP 93 2HB TRP 93 8.977 2.417 3.677 679 2HB TRP 93 1HB TRP 93 7.852 3.279 2.668 680 HD1 TRP 93 HD TRP 93 11.335 2.040 2.770 681 HE1 TRP 93 1HE TRP 93 12.742 3.002 0.858 682 HE3 TRP 93 3HE TRP 93 8.169 5.731 1.237 683 HZ2 TRP 93 2HZ TRP 93 12.533 5.061 -1.071 684 HZ3 TRP 93 3HZ TRP 93 8.842 7.155 -0.653 685 HH2 TRP 93 HH TRP 93 10.979 6.822 -1.778 686 H GLU 94 H GLU 94 7.615 3.087 6.118 687 HA GLU 94 HA GLU 94 4.903 3.593 5.774 688 1HB GLU 94 2HB GLU 94 6.408 3.283 8.368 689 2HB GLU 94 1HB GLU 94 4.667 3.182 8.194 690 1HG GLU 94 2HG GLU 94 4.891 1.242 6.825 691 2HG GLU 94 1HG GLU 94 6.654 1.306 6.915 692 H THR 95 H THR 95 7.193 5.198 7.811 693 HA THR 95 HA THR 95 5.798 7.210 9.030 694 HB THR 95 HB THR 95 8.597 7.429 7.928 695 HG1 THR 95 1HG THR 95 9.164 5.985 9.422 696 1HG2 THR 95 1HG2 THR 95 8.995 8.798 9.950 697 2HG2 THR 95 2HG2 THR 95 7.302 8.615 10.406 698 3HG2 THR 95 3HG2 THR 95 7.728 9.502 8.944 699 H LYS 96 H LYS 96 6.842 7.045 5.698 700 HA LYS 96 HA LYS 96 6.861 9.876 5.218 701 1HB LYS 96 2HB LYS 96 6.981 7.552 3.284 702 2HB LYS 96 1HB LYS 96 7.440 9.219 2.947 703 1HG LYS 96 2HG LYS 96 8.728 7.485 5.006 704 2HG LYS 96 1HG LYS 96 9.458 7.657 3.449 705 1HD LYS 96 2HD LYS 96 9.540 10.141 3.920 706 2HD LYS 96 1HD LYS 96 8.972 9.763 5.552 707 1HE LYS 96 2HE LYS 96 10.934 8.297 5.845 708 2HE LYS 96 1HE LYS 96 11.505 8.782 4.255 709 1HZ LYS 96 1HZ LYS 96 12.581 10.067 5.977 710 2HZ LYS 96 2HZ LYS 96 11.102 10.555 6.589 711 3HZ LYS 96 3HZ LYS 96 11.597 11.102 5.080 712 H PHE 97 H PHE 97 4.873 7.140 4.656 713 HA PHE 97 HA PHE 97 2.817 8.623 3.321 714 1HB PHE 97 2HB PHE 97 3.164 5.797 4.195 715 2HB PHE 97 1HB PHE 97 1.653 6.346 3.515 716 HD1 PHE 97 1HD PHE 97 1.395 6.417 1.150 717 HD2 PHE 97 2HD PHE 97 5.304 6.069 2.797 718 HE1 PHE 97 1HE PHE 97 2.312 6.037 -1.099 719 HE2 PHE 97 2HE PHE 97 6.217 5.685 0.544 720 HZ PHE 97 HZ PHE 97 4.723 5.670 -1.401 721 H GLU 98 H GLU 98 3.422 7.245 6.471 722 HA GLU 98 HA GLU 98 0.997 7.412 7.808 723 1HB GLU 98 2HB GLU 98 3.845 7.602 8.587 724 2HB GLU 98 1HB GLU 98 2.693 7.859 9.852 725 1HG GLU 98 2HG GLU 98 2.865 5.386 8.134 726 2HG GLU 98 1HG GLU 98 3.618 5.566 9.713 727 H ALA 99 H ALA 99 3.177 10.024 6.981 728 HA ALA 99 HA ALA 99 1.688 11.806 8.773 729 1HB ALA 99 1HB ALA 99 4.119 11.742 9.073 730 2HB ALA 99 2HB ALA 99 3.554 13.336 8.559 731 3HB ALA 99 3HB ALA 99 4.319 12.255 7.396 732 H LYS 100 H LYS 100 1.475 10.843 5.637 733 HA LYS 100 HA LYS 100 0.808 13.553 4.774 734 1HB LYS 100 2HB LYS 100 2.258 11.412 3.242 735 2HB LYS 100 1HB LYS 100 1.349 12.657 2.425 736 1HG LYS 100 2HG LYS 100 3.693 13.182 2.461 737 2HG LYS 100 1HG LYS 100 2.789 14.370 3.392 738 1HD LYS 100 2HD LYS 100 3.515 13.266 5.444 739 2HD LYS 100 1HD LYS 100 4.384 12.059 4.494 740 1HE LYS 100 2HE LYS 100 4.861 14.998 4.397 741 2HE LYS 100 1HE LYS 100 5.840 13.885 5.369 742 1HZ LYS 100 1HZ LYS 100 6.913 14.403 3.291 743 2HZ LYS 100 2HZ LYS 100 5.600 13.901 2.375 744 3HZ LYS 100 3HZ LYS 100 6.489 12.787 3.271 745 H TYR 101 H TYR 101 0.018 10.129 4.581 746 HA TYR 101 HA TYR 101 -2.464 10.905 3.247 747 1HB TYR 101 2HB TYR 101 -1.028 8.263 3.165 748 2HB TYR 101 1HB TYR 101 -2.476 8.723 2.272 749 HD1 TYR 101 1HD TYR 101 -2.145 10.937 0.791 750 HD2 TYR 101 2HD TYR 101 0.957 8.333 2.066 751 HE1 TYR 101 1HE TYR 101 -0.709 11.762 -1.028 752 HE2 TYR 101 2HE TYR 101 2.391 9.118 0.270 753 HH TYR 101 HH TYR 101 1.578 11.922 -1.559 754 HA PRO 102 HA PRO 102 -4.398 9.319 6.859 755 1HB PRO 102 2HB PRO 102 -6.918 9.179 6.011 756 2HB PRO 102 1HB PRO 102 -6.113 10.746 6.191 757 1HG PRO 102 2HG PRO 102 -6.533 9.109 3.720 758 2HG PRO 102 1HG PRO 102 -6.809 10.844 3.947 759 1HD PRO 102 2HD PRO 102 -4.539 9.861 2.799 760 2HD PRO 102 1HD PRO 102 -4.577 11.346 3.782 761 H VAL 103 H VAL 103 -4.712 7.377 7.677 762 HA VAL 103 HA VAL 103 -4.752 5.056 5.966 763 HB VAL 103 HB VAL 103 -5.060 5.177 9.001 764 1HG1 VAL 103 1HG1 VAL 103 -4.460 2.843 7.191 765 2HG1 VAL 103 2HG1 VAL 103 -5.972 3.126 8.053 766 3HG1 VAL 103 3HG1 VAL 103 -4.491 2.795 8.955 767 1HG2 VAL 103 1HG2 VAL 103 -2.623 4.573 7.334 768 2HG2 VAL 103 2HG2 VAL 103 -2.720 4.444 9.077 769 3HG2 VAL 103 3HG2 VAL 103 -2.876 6.027 8.301 770 H VAL 104 H VAL 104 -6.516 4.634 4.989 771 HA VAL 104 HA VAL 104 -9.076 5.347 6.219 772 HB VAL 104 HB VAL 104 -10.063 5.004 3.939 773 1HG1 VAL 104 1HG1 VAL 104 -7.732 6.917 4.121 774 2HG1 VAL 104 2HG1 VAL 104 -9.367 7.223 4.706 775 3HG1 VAL 104 3HG1 VAL 104 -9.070 7.039 2.979 776 1HG2 VAL 104 1HG2 VAL 104 -8.536 4.832 2.034 777 2HG2 VAL 104 2HG2 VAL 104 -8.392 3.411 3.075 778 3HG2 VAL 104 3HG2 VAL 104 -7.171 4.684 3.135 779 H GLY 105 H GLY 105 -7.239 2.727 6.264 780 1HA GLY 105 2HA GLY 105 -8.954 1.116 7.484 781 2HA GLY 105 1HA GLY 105 -9.300 0.729 5.816 782 H ARG 106 H ARG 106 -8.520 -1.282 5.831 783 HA ARG 106 HA ARG 106 -5.650 -1.688 6.435 784 1HB ARG 106 2HB ARG 106 -6.254 -3.966 7.135 785 2HB ARG 106 1HB ARG 106 -6.843 -2.812 8.279 786 1HG ARG 106 2HG ARG 106 -9.055 -2.997 7.430 787 2HG ARG 106 1HG ARG 106 -8.438 -3.948 6.068 788 1HD ARG 106 2HD ARG 106 -9.459 -5.362 7.726 789 2HD ARG 106 1HD ARG 106 -7.730 -5.628 7.468 790 HE ARG 106 HE ARG 106 -7.907 -3.940 9.622 791 1HH1 ARG 106 1HH1 ARG 106 -9.280 -7.108 8.834 792 2HH1 ARG 106 2HH1 ARG 106 -9.126 -7.726 10.414 793 1HH2 ARG 106 1HH2 ARG 106 -7.744 -4.772 11.816 794 2HH2 ARG 106 2HH2 ARG 106 -8.268 -6.349 12.167 795 H VAL 107 H VAL 107 -4.770 -3.483 5.341 796 HA VAL 107 HA VAL 107 -6.510 -4.573 3.314 797 HB VAL 107 HB VAL 107 -4.653 -3.192 2.280 798 1HG1 VAL 107 1HG1 VAL 107 -2.446 -4.198 2.150 799 2HG1 VAL 107 2HG1 VAL 107 -2.949 -5.341 3.412 800 3HG1 VAL 107 3HG1 VAL 107 -2.905 -3.586 3.742 801 1HG2 VAL 107 1HG2 VAL 107 -5.819 -4.862 1.060 802 2HG2 VAL 107 2HG2 VAL 107 -4.803 -6.095 1.780 803 3HG2 VAL 107 3HG2 VAL 107 -4.092 -4.946 0.613 804 H VAL 108 H VAL 108 -6.702 -6.610 3.302 805 HA VAL 108 HA VAL 108 -5.120 -8.169 5.194 806 HB VAL 108 HB VAL 108 -7.206 -9.540 5.527 807 1HG1 VAL 108 1HG1 VAL 108 -6.602 -7.564 6.902 808 2HG1 VAL 108 2HG1 VAL 108 -8.407 -7.755 6.721 809 3HG1 VAL 108 3HG1 VAL 108 -7.530 -6.614 5.728 810 1HG2 VAL 108 1HG2 VAL 108 -8.411 -7.306 4.036 811 2HG2 VAL 108 2HG2 VAL 108 -9.299 -8.621 4.785 812 3HG2 VAL 108 3HG2 VAL 108 -8.286 -8.931 3.329 813 H SER 109 H SER 109 -4.501 -10.232 4.497 814 HA SER 109 HA SER 109 -5.170 -10.858 1.763 815 1HB SER 109 2HB SER 109 -3.361 -9.321 1.604 816 2HB SER 109 1HB SER 109 -2.433 -10.235 2.787 817 HG SER 109 HG SER 109 -1.769 -11.493 1.124 Start of MODEL 12 1 1H MET 1 1HT MET 1 -17.598 13.374 -9.643 2 2H MET 1 2HT MET 1 -16.057 12.743 -9.383 3 3H MET 1 3HT MET 1 -16.433 13.438 -10.872 4 HA MET 1 HA MET 1 -15.066 14.884 -9.544 5 1HB MET 1 2HB MET 1 -16.653 15.883 -11.126 6 2HB MET 1 1HB MET 1 -17.912 15.837 -9.901 7 1HG MET 1 2HG MET 1 -16.628 17.416 -8.534 8 2HG MET 1 1HG MET 1 -15.383 17.474 -9.779 9 1HE MET 1 1HE MET 1 -17.102 20.997 -10.043 10 2HE MET 1 2HE MET 1 -15.579 20.137 -9.814 11 3HE MET 1 3HE MET 1 -16.832 20.058 -8.575 12 H GLY 2 H GLY 2 -14.357 14.830 -7.530 13 1HA GLY 2 2HA GLY 2 -14.296 15.098 -5.288 14 2HA GLY 2 1HA GLY 2 -15.800 15.984 -5.425 15 H HIS 3 H HIS 3 -16.737 15.148 -3.611 16 HA HIS 3 HA HIS 3 -18.057 13.819 -2.392 17 1HB HIS 3 2HB HIS 3 -18.037 11.954 -4.776 18 2HB HIS 3 1HB HIS 3 -19.043 11.732 -3.353 19 HD1 HIS 3 1HD HIS 3 -18.804 13.579 -6.545 20 HD2 HIS 3 2HD HIS 3 -21.145 13.663 -3.115 21 HE1 HIS 3 1HE HIS 3 -20.831 14.899 -7.151 22 HE2 HIS 3 2HE HIS 3 -22.076 15.168 -4.988 23 H HIS 4 H HIS 4 -15.980 11.541 -4.074 24 HA HIS 4 HA HIS 4 -15.821 9.730 -1.970 25 1HB HIS 4 2HB HIS 4 -13.874 8.684 -3.112 26 2HB HIS 4 1HB HIS 4 -15.232 8.979 -4.185 27 HD1 HIS 4 1HD HIS 4 -11.663 9.875 -3.612 28 HD2 HIS 4 2HD HIS 4 -14.760 10.987 -6.138 29 HE1 HIS 4 1HE HIS 4 -10.604 11.206 -5.448 30 HE2 HIS 4 2HE HIS 4 -12.442 11.525 -7.097 31 H HIS 5 H HIS 5 -15.087 9.957 -0.052 32 HA HIS 5 HA HIS 5 -12.377 10.682 0.430 33 1HB HIS 5 2HB HIS 5 -12.775 12.497 2.012 34 2HB HIS 5 1HB HIS 5 -13.522 12.937 0.490 35 HD1 HIS 5 1HD HIS 5 -16.175 13.011 0.472 36 HD2 HIS 5 2HD HIS 5 -14.472 12.246 4.183 37 HE1 HIS 5 1HE HIS 5 -17.997 13.375 2.155 38 HE2 HIS 5 2HE HIS 5 -17.016 12.556 4.297 39 H HIS 6 H HIS 6 -11.717 9.761 2.389 40 HA HIS 6 HA HIS 6 -13.817 8.128 3.661 41 1HB HIS 6 2HB HIS 6 -10.971 7.366 3.066 42 2HB HIS 6 1HB HIS 6 -12.093 6.353 3.977 43 HD1 HIS 6 1HD HIS 6 -13.368 4.661 2.556 44 HD2 HIS 6 2HD HIS 6 -11.748 7.747 0.290 45 HE1 HIS 6 1HE HIS 6 -13.748 4.029 0.205 46 HE2 HIS 6 2HE HIS 6 -12.373 5.668 -1.078 47 H HIS 7 H HIS 7 -13.997 8.511 5.784 48 HA HIS 7 HA HIS 7 -11.615 9.053 7.327 49 1HB HIS 7 2HB HIS 7 -12.329 11.310 6.674 50 2HB HIS 7 1HB HIS 7 -13.941 10.995 7.299 51 HD1 HIS 7 1HD HIS 7 -14.331 11.612 9.672 52 HD2 HIS 7 2HD HIS 7 -10.301 11.313 8.778 53 HE1 HIS 7 1HE HIS 7 -13.128 12.423 11.719 54 HE2 HIS 7 2HE HIS 7 -10.697 12.451 11.041 55 H HIS 8 H HIS 8 -11.839 7.268 8.454 56 HA HIS 8 HA HIS 8 -13.160 6.897 10.785 57 1HB HIS 8 2HB HIS 8 -15.357 6.984 9.584 58 2HB HIS 8 1HB HIS 8 -14.834 5.663 8.555 59 HD1 HIS 8 1HD HIS 8 -15.400 3.359 9.346 60 HD2 HIS 8 2HD HIS 8 -15.713 6.176 12.379 61 HE1 HIS 8 1HE HIS 8 -16.388 2.140 11.307 62 HE2 HIS 8 2HE HIS 8 -16.376 3.809 13.165 63 H LEU 9 H LEU 9 -12.316 5.574 7.772 64 HA LEU 9 HA LEU 9 -11.281 4.001 6.954 65 1HB LEU 9 2HB LEU 9 -9.484 2.710 7.980 66 2HB LEU 9 1HB LEU 9 -9.327 4.420 8.210 67 HG LEU 9 HG LEU 9 -9.930 4.115 10.601 68 1HD1 LEU 9 1HD1 LEU 9 -9.987 1.857 11.539 69 2HD1 LEU 9 2HD1 LEU 9 -9.836 1.161 9.924 70 3HD1 LEU 9 3HD1 LEU 9 -11.294 2.050 10.370 71 1HD2 LEU 9 1HD2 LEU 9 -7.793 2.409 9.478 72 2HD2 LEU 9 2HD2 LEU 9 -7.820 3.007 11.156 73 3HD2 LEU 9 3HD2 LEU 9 -7.671 4.134 9.777 74 H GLU 10 H GLU 10 -11.181 2.011 6.333 75 HA GLU 10 HA GLU 10 -13.310 0.327 7.414 76 1HB GLU 10 2HB GLU 10 -14.071 0.148 5.060 77 2HB GLU 10 1HB GLU 10 -14.309 1.740 5.785 78 1HG GLU 10 2HG GLU 10 -12.085 2.362 4.787 79 2HG GLU 10 1HG GLU 10 -12.202 0.885 3.851 80 H GLU 11 H GLU 11 -13.207 -1.863 6.393 81 HA GLU 11 HA GLU 11 -10.508 -2.588 5.856 82 1HB GLU 11 2HB GLU 11 -11.405 -3.886 7.480 83 2HB GLU 11 1HB GLU 11 -12.985 -4.079 6.675 84 1HG GLU 11 2HG GLU 11 -11.885 -5.428 5.029 85 2HG GLU 11 1HG GLU 11 -10.341 -5.297 5.819 86 H PHE 12 H PHE 12 -9.879 -3.352 4.050 87 HA PHE 12 HA PHE 12 -11.671 -3.818 1.781 88 1HB PHE 12 2HB PHE 12 -8.808 -2.852 1.895 89 2HB PHE 12 1HB PHE 12 -9.662 -3.478 0.524 90 HD1 PHE 12 1HD PHE 12 -9.363 -0.668 2.872 91 HD2 PHE 12 2HD PHE 12 -11.315 -2.082 -0.635 92 HE1 PHE 12 1HE PHE 12 -10.164 1.610 2.401 93 HE2 PHE 12 2HE PHE 12 -12.118 0.187 -1.114 94 HZ PHE 12 HZ PHE 12 -11.542 2.042 0.407 95 H THR 13 H THR 13 -11.066 -5.672 0.583 96 HA THR 13 HA THR 13 -9.099 -7.364 1.945 97 HB THR 13 HB THR 13 -10.991 -8.232 -0.229 98 HG1 THR 13 1HG THR 13 -11.739 -7.322 2.077 99 1HG2 THR 13 1HG2 THR 13 -9.579 -9.630 1.995 100 2HG2 THR 13 2HG2 THR 13 -9.093 -9.565 0.304 101 3HG2 THR 13 3HG2 THR 13 -10.603 -10.411 0.755 102 H ALA 14 H ALA 14 -7.496 -8.425 0.512 103 HA ALA 14 HA ALA 14 -6.166 -6.565 -1.011 104 1HB ALA 14 1HB ALA 14 -5.141 -8.551 -0.003 105 2HB ALA 14 2HB ALA 14 -4.661 -8.279 -1.675 106 3HB ALA 14 3HB ALA 14 -5.826 -9.540 -1.295 107 H GLU 15 H GLU 15 -8.172 -9.213 -2.347 108 HA GLU 15 HA GLU 15 -7.635 -8.408 -5.014 109 1HB GLU 15 2HB GLU 15 -9.866 -10.102 -3.919 110 2HB GLU 15 1HB GLU 15 -9.622 -9.820 -5.637 111 1HG GLU 15 2HG GLU 15 -7.666 -11.123 -3.757 112 2HG GLU 15 1HG GLU 15 -8.658 -11.941 -4.968 113 H GLN 16 H GLN 16 -9.968 -7.425 -2.751 114 HA GLN 16 HA GLN 16 -11.570 -5.971 -4.616 115 1HB GLN 16 2HB GLN 16 -11.479 -6.072 -1.606 116 2HB GLN 16 1HB GLN 16 -12.516 -4.929 -2.430 117 1HG GLN 16 2HG GLN 16 -13.774 -6.909 -1.756 118 2HG GLN 16 1HG GLN 16 -13.705 -6.792 -3.506 119 1HE2 GLN 16 1HE2 GLN 16 -12.786 -8.615 -0.718 120 2HE2 GLN 16 2HE2 GLN 16 -12.190 -9.978 -1.598 121 H LEU 17 H LEU 17 -8.878 -5.306 -2.560 122 HA LEU 17 HA LEU 17 -8.901 -2.458 -2.820 123 1HB LEU 17 2HB LEU 17 -8.013 -3.713 -0.856 124 2HB LEU 17 1HB LEU 17 -6.755 -4.365 -1.862 125 HG LEU 17 HG LEU 17 -5.876 -2.605 -0.373 126 1HD1 LEU 17 1HD1 LEU 17 -4.768 -1.204 -1.833 127 2HD1 LEU 17 2HD1 LEU 17 -5.803 -1.794 -3.156 128 3HD1 LEU 17 3HD1 LEU 17 -4.723 -2.910 -2.302 129 1HD2 LEU 17 1HD2 LEU 17 -7.884 -1.284 -0.104 130 2HD2 LEU 17 2HD2 LEU 17 -7.729 -0.726 -1.788 131 3HD2 LEU 17 3HD2 LEU 17 -6.482 -0.336 -0.593 132 H SER 18 H SER 18 -7.102 -5.161 -4.307 133 HA SER 18 HA SER 18 -5.311 -3.599 -5.769 134 1HB SER 18 2HB SER 18 -6.232 -6.439 -6.210 135 2HB SER 18 1HB SER 18 -4.883 -5.684 -7.064 136 HG SER 18 HG SER 18 -4.248 -5.143 -4.754 137 H GLN 19 H GLN 19 -8.525 -3.728 -6.222 138 HA GLN 19 HA GLN 19 -8.451 -3.433 -9.093 139 1HB GLN 19 2HB GLN 19 -10.695 -3.034 -7.114 140 2HB GLN 19 1HB GLN 19 -10.861 -2.975 -8.867 141 1HG GLN 19 2HG GLN 19 -10.188 -5.293 -9.034 142 2HG GLN 19 1HG GLN 19 -9.935 -5.360 -7.296 143 1HE2 GLN 19 1HE2 GLN 19 -11.375 -6.968 -7.035 144 2HE2 GLN 19 2HE2 GLN 19 -13.081 -6.776 -7.169 145 H TYR 20 H TYR 20 -8.420 -1.485 -6.212 146 HA TYR 20 HA TYR 20 -8.916 0.941 -7.695 147 1HB TYR 20 2HB TYR 20 -8.390 0.519 -4.751 148 2HB TYR 20 1HB TYR 20 -8.713 2.074 -5.504 149 HD1 TYR 20 1HD TYR 20 -10.918 2.589 -6.403 150 HD2 TYR 20 2HD TYR 20 -10.171 -1.058 -4.366 151 HE1 TYR 20 1HE TYR 20 -13.330 2.242 -6.162 152 HE2 TYR 20 2HE TYR 20 -12.574 -1.421 -4.113 153 HH TYR 20 HH TYR 20 -14.609 -0.131 -4.089 154 H ASN 21 H ASN 21 -7.111 0.605 -8.988 155 HA ASN 21 HA ASN 21 -4.654 1.453 -7.671 156 1HB ASN 21 2HB ASN 21 -3.357 0.361 -9.458 157 2HB ASN 21 1HB ASN 21 -4.393 -0.735 -8.611 158 1HD2 ASN 21 1HD2 ASN 21 -4.261 -2.183 -10.331 159 2HD2 ASN 21 2HD2 ASN 21 -5.182 -2.002 -11.777 160 H GLY 22 H GLY 22 -7.031 2.418 -9.798 161 1HA GLY 22 2HA GLY 22 -7.305 4.680 -10.426 162 2HA GLY 22 1HA GLY 22 -5.593 4.909 -10.135 163 H THR 23 H THR 23 -5.461 2.358 -12.090 164 HA THR 23 HA THR 23 -4.973 4.193 -14.264 165 HB THR 23 HB THR 23 -3.376 2.421 -13.623 166 HG1 THR 23 1HG THR 23 -2.885 1.855 -15.843 167 1HG2 THR 23 1HG2 THR 23 -5.364 0.567 -14.940 168 2HG2 THR 23 2HG2 THR 23 -4.894 0.561 -13.242 169 3HG2 THR 23 3HG2 THR 23 -3.721 0.117 -14.483 170 H ASP 24 H ASP 24 -7.547 2.371 -13.267 171 HA ASP 24 HA ASP 24 -8.458 1.960 -15.981 172 1HB ASP 24 2HB ASP 24 -8.578 -0.011 -14.468 173 2HB ASP 24 1HB ASP 24 -9.601 0.912 -13.411 174 H GLU 25 H GLU 25 -9.519 3.889 -16.640 175 HA GLU 25 HA GLU 25 -11.020 5.574 -16.765 176 1HB GLU 25 2HB GLU 25 -12.581 3.823 -14.871 177 2HB GLU 25 1HB GLU 25 -13.228 5.255 -15.641 178 1HG GLU 25 2HG GLU 25 -12.861 4.194 -17.838 179 2HG GLU 25 1HG GLU 25 -12.298 2.744 -17.001 180 H SER 26 H SER 26 -9.028 5.480 -14.563 181 HA SER 26 HA SER 26 -8.338 6.661 -12.827 182 1HB SER 26 2HB SER 26 -8.864 8.627 -14.117 183 2HB SER 26 1HB SER 26 -10.573 8.492 -13.704 184 HG SER 26 HG SER 26 -10.116 9.007 -11.665 185 H LYS 27 H LYS 27 -9.556 4.507 -12.021 186 HA LYS 27 HA LYS 27 -11.625 4.851 -10.092 187 1HB LYS 27 2HB LYS 27 -9.335 2.851 -10.036 188 2HB LYS 27 1HB LYS 27 -10.754 2.790 -9.018 189 1HG LYS 27 2HG LYS 27 -12.110 2.428 -11.169 190 2HG LYS 27 1HG LYS 27 -10.562 2.340 -11.973 191 1HD LYS 27 2HD LYS 27 -9.858 0.485 -10.645 192 2HD LYS 27 1HD LYS 27 -11.309 0.585 -9.659 193 1HE LYS 27 2HE LYS 27 -11.231 -0.042 -12.607 194 2HE LYS 27 1HE LYS 27 -11.406 -1.224 -11.308 195 1HZ LYS 27 1HZ LYS 27 -13.482 -0.148 -10.691 196 2HZ LYS 27 2HZ LYS 27 -13.529 -0.692 -12.280 197 3HZ LYS 27 3HZ LYS 27 -13.331 0.947 -11.971 198 HA PRO 28 HA PRO 28 -9.531 6.925 -6.685 199 1HB PRO 28 2HB PRO 28 -10.524 4.628 -5.066 200 2HB PRO 28 1HB PRO 28 -10.674 6.361 -4.734 201 1HG PRO 28 2HG PRO 28 -12.760 4.959 -5.599 202 2HG PRO 28 1HG PRO 28 -12.466 6.606 -6.178 203 1HD PRO 28 2HD PRO 28 -12.058 4.011 -7.574 204 2HD PRO 28 1HD PRO 28 -12.516 5.591 -8.231 205 H ILE 29 H ILE 29 -7.560 6.639 -5.594 206 HA ILE 29 HA ILE 29 -6.209 4.099 -6.243 207 HB ILE 29 HB ILE 29 -4.726 6.745 -5.965 208 1HG1 ILE 29 2HG1 ILE 29 -4.528 6.622 -8.541 209 2HG1 ILE 29 1HG1 ILE 29 -5.900 5.517 -8.435 210 1HG2 ILE 29 1HG2 ILE 29 -4.063 4.140 -7.298 211 2HG2 ILE 29 2HG2 ILE 29 -3.441 4.668 -5.744 212 3HG2 ILE 29 3HG2 ILE 29 -3.003 5.539 -7.229 213 1HD1 ILE 29 1HD1 ILE 29 -7.247 7.290 -7.479 214 2HD1 ILE 29 2HD1 ILE 29 -6.596 7.702 -9.061 215 3HD1 ILE 29 3HD1 ILE 29 -5.875 8.404 -7.612 216 H TYR 30 H TYR 30 -5.019 3.090 -4.551 217 HA TYR 30 HA TYR 30 -4.712 4.544 -2.093 218 1HB TYR 30 2HB TYR 30 -6.193 1.890 -2.278 219 2HB TYR 30 1HB TYR 30 -5.755 2.752 -0.804 220 HD1 TYR 30 1HD TYR 30 -6.735 5.070 -0.473 221 HD2 TYR 30 2HD TYR 30 -8.249 2.299 -3.293 222 HE1 TYR 30 1HE TYR 30 -8.835 6.352 -0.588 223 HE2 TYR 30 2HE TYR 30 -10.351 3.548 -3.415 224 HH TYR 30 HH TYR 30 -10.617 6.679 -2.227 225 H VAL 31 H VAL 31 -3.215 3.355 -0.744 226 HA VAL 31 HA VAL 31 -1.824 1.215 -2.153 227 HB VAL 31 HB VAL 31 -0.457 3.293 -2.563 228 1HG1 VAL 31 1HG1 VAL 31 -0.265 3.489 0.371 229 2HG1 VAL 31 2HG1 VAL 31 -1.151 4.572 -0.745 230 3HG1 VAL 31 3HG1 VAL 31 0.618 4.408 -0.861 231 1HG2 VAL 31 1HG2 VAL 31 0.654 1.246 -2.386 232 2HG2 VAL 31 2HG2 VAL 31 0.714 1.407 -0.616 233 3HG2 VAL 31 3HG2 VAL 31 1.626 2.555 -1.649 234 H ALA 32 H ALA 32 -0.809 -0.316 -0.774 235 HA ALA 32 HA ALA 32 -1.730 -0.050 1.975 236 1HB ALA 32 1HB ALA 32 -1.973 -2.463 2.013 237 2HB ALA 32 2HB ALA 32 -1.456 -2.555 0.327 238 3HB ALA 32 3HB ALA 32 -2.961 -1.740 0.749 239 H ILE 33 H ILE 33 -0.283 -0.145 3.475 240 HA ILE 33 HA ILE 33 2.223 -1.598 3.022 241 HB ILE 33 HB ILE 33 2.008 1.053 4.534 242 1HG1 ILE 33 2HG1 ILE 33 3.327 0.407 1.885 243 2HG1 ILE 33 1HG1 ILE 33 1.907 1.406 2.122 244 1HG2 ILE 33 1HG2 ILE 33 3.624 -0.381 5.594 245 2HG2 ILE 33 2HG2 ILE 33 4.452 0.927 4.726 246 3HG2 ILE 33 3HG2 ILE 33 4.405 -0.681 4.043 247 1HD1 ILE 33 1HD1 ILE 33 3.840 2.731 1.700 248 2HD1 ILE 33 2HD1 ILE 33 4.682 2.010 3.098 249 3HD1 ILE 33 3HD1 ILE 33 3.256 3.033 3.342 250 H LYS 34 H LYS 34 2.161 -3.184 4.341 251 HA LYS 34 HA LYS 34 1.531 -4.590 5.851 252 1HB LYS 34 2HB LYS 34 2.540 -2.325 7.344 253 2HB LYS 34 1HB LYS 34 1.497 -3.367 8.318 254 1HG LYS 34 2HG LYS 34 3.751 -4.394 6.619 255 2HG LYS 34 1HG LYS 34 3.901 -4.035 8.345 256 1HD LYS 34 2HD LYS 34 2.292 -5.665 8.935 257 2HD LYS 34 1HD LYS 34 1.759 -5.890 7.280 258 1HE LYS 34 2HE LYS 34 4.498 -6.564 8.305 259 2HE LYS 34 1HE LYS 34 3.173 -7.723 8.169 260 1HZ LYS 34 1HZ LYS 34 4.404 -6.227 5.909 261 2HZ LYS 34 2HZ LYS 34 3.116 -7.302 5.801 262 3HZ LYS 34 3HZ LYS 34 4.619 -7.862 6.296 263 H GLY 35 H GLY 35 -0.541 -3.540 4.533 264 1HA GLY 35 2HA GLY 35 -2.787 -4.023 4.567 265 2HA GLY 35 1HA GLY 35 -2.718 -4.347 6.274 266 H ARG 36 H ARG 36 -1.287 -1.420 5.702 267 HA ARG 36 HA ARG 36 -3.646 0.033 6.655 268 1HB ARG 36 2HB ARG 36 -0.879 1.116 5.978 269 2HB ARG 36 1HB ARG 36 -2.100 1.837 6.980 270 1HG ARG 36 2HG ARG 36 -1.078 -0.788 7.738 271 2HG ARG 36 1HG ARG 36 -0.010 0.560 8.017 272 1HD ARG 36 2HD ARG 36 -2.853 0.169 9.078 273 2HD ARG 36 1HD ARG 36 -1.331 0.022 9.971 274 HE ARG 36 HE ARG 36 -1.400 2.599 8.926 275 1HH1 ARG 36 1HH1 ARG 36 -3.207 0.730 11.349 276 2HH1 ARG 36 2HH1 ARG 36 -3.538 2.076 12.306 277 1HH2 ARG 36 1HH2 ARG 36 -1.832 4.386 10.242 278 2HH2 ARG 36 2HH2 ARG 36 -2.767 4.240 11.670 279 H VAL 37 H VAL 37 -4.910 1.012 5.152 280 HA VAL 37 HA VAL 37 -3.876 1.266 2.435 281 HB VAL 37 HB VAL 37 -6.719 1.256 3.495 282 1HG1 VAL 37 1HG1 VAL 37 -5.747 1.455 0.656 283 2HG1 VAL 37 2HG1 VAL 37 -6.520 2.768 1.558 284 3HG1 VAL 37 3HG1 VAL 37 -7.428 1.299 1.166 285 1HG2 VAL 37 1HG2 VAL 37 -5.646 -0.906 3.467 286 2HG2 VAL 37 2HG2 VAL 37 -5.170 -0.655 1.789 287 3HG2 VAL 37 3HG2 VAL 37 -6.882 -0.819 2.204 288 H PHE 38 H PHE 38 -3.100 3.124 1.939 289 HA PHE 38 HA PHE 38 -4.019 5.558 3.319 290 1HB PHE 38 2HB PHE 38 -1.630 5.183 1.522 291 2HB PHE 38 1HB PHE 38 -1.972 6.573 2.540 292 HD1 PHE 38 1HD PHE 38 -1.755 6.391 4.989 293 HD2 PHE 38 2HD PHE 38 -0.670 3.205 2.400 294 HE1 PHE 38 1HE PHE 38 -0.480 5.295 6.821 295 HE2 PHE 38 2HE PHE 38 0.573 2.151 4.211 296 HZ PHE 38 HZ PHE 38 0.674 3.205 6.417 297 H ASP 39 H ASP 39 -4.816 7.293 2.200 298 HA ASP 39 HA ASP 39 -5.859 6.753 -0.449 299 1HB ASP 39 2HB ASP 39 -7.184 8.087 1.222 300 2HB ASP 39 1HB ASP 39 -5.947 9.336 1.094 301 H VAL 40 H VAL 40 -4.519 6.795 -2.029 302 HA VAL 40 HA VAL 40 -2.815 9.138 -2.221 303 HB VAL 40 HB VAL 40 -1.464 7.854 -3.923 304 1HG1 VAL 40 1HG1 VAL 40 -0.695 8.135 -1.643 305 2HG1 VAL 40 2HG1 VAL 40 -0.235 6.564 -2.286 306 3HG1 VAL 40 3HG1 VAL 40 -1.584 6.694 -1.142 307 1HG2 VAL 40 1HG2 VAL 40 -3.128 6.176 -4.464 308 2HG2 VAL 40 2HG2 VAL 40 -2.999 5.511 -2.829 309 3HG2 VAL 40 3HG2 VAL 40 -1.622 5.430 -3.930 310 H THR 41 H THR 41 -5.667 8.709 -2.864 311 HA THR 41 HA THR 41 -5.815 9.093 -5.708 312 HB THR 41 HB THR 41 -7.882 9.813 -3.586 313 HG1 THR 41 1HG THR 41 -7.033 7.465 -3.793 314 1HG2 THR 41 1HG2 THR 41 -9.479 9.467 -5.427 315 2HG2 THR 41 2HG2 THR 41 -8.131 9.134 -6.517 316 3HG2 THR 41 3HG2 THR 41 -8.319 10.738 -5.807 317 H THR 42 H THR 42 -5.406 10.807 -2.806 318 HA THR 42 HA THR 42 -5.718 13.477 -3.617 319 HB THR 42 HB THR 42 -3.906 12.314 -1.464 320 HG1 THR 42 1HG THR 42 -6.091 11.570 -1.241 321 1HG2 THR 42 1HG2 THR 42 -5.272 15.007 -1.692 322 2HG2 THR 42 2HG2 THR 42 -3.542 14.704 -1.881 323 3HG2 THR 42 3HG2 THR 42 -4.316 14.458 -0.315 324 H GLY 43 H GLY 43 -3.260 11.088 -4.148 325 1HA GLY 43 2HA GLY 43 -1.484 13.044 -5.473 326 2HA GLY 43 1HA GLY 43 -0.880 11.682 -4.545 327 H LYS 44 H LYS 44 -3.560 11.949 -6.939 328 HA LYS 44 HA LYS 44 -3.335 9.414 -7.904 329 1HB LYS 44 2HB LYS 44 -5.284 10.795 -8.088 330 2HB LYS 44 1HB LYS 44 -4.421 11.935 -9.108 331 1HG LYS 44 2HG LYS 44 -4.142 10.181 -10.793 332 2HG LYS 44 1HG LYS 44 -5.057 9.086 -9.770 333 1HD LYS 44 2HD LYS 44 -6.080 11.669 -10.941 334 2HD LYS 44 1HD LYS 44 -6.336 10.004 -11.491 335 1HE LYS 44 2HE LYS 44 -7.488 9.455 -9.425 336 2HE LYS 44 1HE LYS 44 -7.185 11.070 -8.799 337 1HZ LYS 44 1HZ LYS 44 -8.603 11.960 -10.555 338 2HZ LYS 44 2HZ LYS 44 -9.417 10.780 -9.635 339 3HZ LYS 44 3HZ LYS 44 -8.840 10.392 -11.154 340 H SER 45 H SER 45 -1.836 12.407 -8.987 341 HA SER 45 HA SER 45 -0.939 11.421 -11.469 342 1HB SER 45 2HB SER 45 0.155 13.695 -9.818 343 2HB SER 45 1HB SER 45 0.431 13.438 -11.544 344 HG SER 45 HG SER 45 -1.974 13.389 -11.615 345 H PHE 46 H PHE 46 0.088 10.544 -8.404 346 HA PHE 46 HA PHE 46 2.780 9.910 -9.349 347 1HB PHE 46 2HB PHE 46 1.710 9.977 -6.522 348 2HB PHE 46 1HB PHE 46 3.365 9.606 -6.977 349 HD1 PHE 46 1HD PHE 46 4.831 11.389 -7.827 350 HD2 PHE 46 2HD PHE 46 0.888 12.210 -6.452 351 HE1 PHE 46 1HE PHE 46 5.384 13.779 -7.661 352 HE2 PHE 46 2HE PHE 46 1.434 14.600 -6.289 353 HZ PHE 46 HZ PHE 46 3.688 15.387 -6.894 354 H TYR 47 H TYR 47 -0.253 8.527 -8.280 355 HA TYR 47 HA TYR 47 0.995 5.852 -8.311 356 1HB TYR 47 2HB TYR 47 -1.302 6.841 -6.642 357 2HB TYR 47 1HB TYR 47 -0.818 5.157 -6.747 358 HD1 TYR 47 1HD TYR 47 0.365 8.523 -5.773 359 HD2 TYR 47 2HD TYR 47 0.880 4.334 -5.377 360 HE1 TYR 47 1HE TYR 47 1.961 8.915 -3.980 361 HE2 TYR 47 2HE TYR 47 2.503 4.698 -3.567 362 HH TYR 47 HH TYR 47 3.974 6.396 -2.773 363 H GLY 48 H GLY 48 -1.562 7.738 -9.796 364 1HA GLY 48 2HA GLY 48 -3.438 5.687 -10.188 365 2HA GLY 48 1HA GLY 48 -3.362 7.214 -11.035 366 H SER 49 H SER 49 -2.424 7.260 -13.053 367 HA SER 49 HA SER 49 -2.132 4.587 -14.245 368 1HB SER 49 2HB SER 49 -4.119 5.889 -14.999 369 2HB SER 49 1HB SER 49 -3.032 7.146 -15.572 370 HG SER 49 HG SER 49 -3.127 4.463 -16.492 371 H GLY 50 H GLY 50 -0.944 7.928 -14.560 372 1HA GLY 50 2HA GLY 50 1.356 6.906 -16.054 373 2HA GLY 50 1HA GLY 50 0.880 8.594 -15.918 374 H GLY 51 H GLY 51 0.681 7.019 -13.009 375 1HA GLY 51 2HA GLY 51 2.800 8.607 -11.940 376 2HA GLY 51 1HA GLY 51 1.777 7.498 -11.036 377 H ASP 52 H ASP 52 4.626 7.892 -10.883 378 HA ASP 52 HA ASP 52 5.924 5.623 -12.067 379 1HB ASP 52 2HB ASP 52 7.196 7.651 -11.631 380 2HB ASP 52 1HB ASP 52 6.790 7.574 -9.925 381 H TYR 53 H TYR 53 4.332 6.375 -9.109 382 HA TYR 53 HA TYR 53 5.226 3.919 -7.827 383 1HB TYR 53 2HB TYR 53 3.498 6.186 -6.810 384 2HB TYR 53 1HB TYR 53 4.064 4.822 -5.853 385 HD1 TYR 53 1HD TYR 53 4.931 8.026 -7.329 386 HD2 TYR 53 2HD TYR 53 6.454 4.631 -5.275 387 HE1 TYR 53 1HE TYR 53 6.967 9.280 -6.783 388 HE2 TYR 53 2HE TYR 53 8.501 5.878 -4.723 389 HH TYR 53 HH TYR 53 8.697 9.232 -5.143 390 H SER 54 H SER 54 3.422 4.093 -10.165 391 HA SER 54 HA SER 54 0.750 3.537 -9.531 392 1HB SER 54 2HB SER 54 1.559 4.188 -11.778 393 2HB SER 54 1HB SER 54 2.394 2.643 -11.892 394 HG SER 54 HG SER 54 -0.153 2.180 -11.290 395 H MET 55 H MET 55 3.559 1.629 -9.197 396 HA MET 55 HA MET 55 2.337 -0.973 -9.420 397 1HB MET 55 2HB MET 55 4.879 -0.290 -7.966 398 2HB MET 55 1HB MET 55 4.423 -1.832 -8.668 399 1HG MET 55 2HG MET 55 5.080 0.684 -10.087 400 2HG MET 55 1HG MET 55 6.126 -0.715 -9.982 401 1HE MET 55 1HE MET 55 5.416 0.691 -12.755 402 2HE MET 55 2HE MET 55 5.146 -0.714 -13.786 403 3HE MET 55 3HE MET 55 6.463 -0.717 -12.610 404 H PHE 56 H PHE 56 2.870 1.412 -6.995 405 HA PHE 56 HA PHE 56 2.461 -0.190 -4.657 406 1HB PHE 56 2HB PHE 56 2.385 2.788 -5.168 407 2HB PHE 56 1HB PHE 56 2.155 2.086 -3.582 408 HD1 PHE 56 1HD PHE 56 3.960 2.220 -2.214 409 HD2 PHE 56 2HD PHE 56 4.632 1.818 -6.389 410 HE1 PHE 56 1HE PHE 56 6.356 2.337 -1.822 411 HE2 PHE 56 2HE PHE 56 7.054 1.929 -6.012 412 HZ PHE 56 HZ PHE 56 7.933 2.190 -3.722 413 H ALA 57 H ALA 57 0.611 1.876 -6.711 414 HA ALA 57 HA ALA 57 -1.756 2.212 -5.423 415 1HB ALA 57 1HB ALA 57 -1.373 1.682 -8.349 416 2HB ALA 57 2HB ALA 57 -1.170 3.238 -7.547 417 3HB ALA 57 3HB ALA 57 -2.760 2.478 -7.611 418 H GLY 58 H GLY 58 -3.056 0.861 -4.563 419 1HA GLY 58 2HA GLY 58 -4.357 -0.787 -4.094 420 2HA GLY 58 1HA GLY 58 -4.571 -1.231 -5.723 421 H LYS 59 H LYS 59 -1.384 -1.348 -3.930 422 HA LYS 59 HA LYS 59 -1.763 -4.155 -3.692 423 1HB LYS 59 2HB LYS 59 -0.645 -3.405 -5.832 424 2HB LYS 59 1HB LYS 59 0.570 -2.691 -4.802 425 1HG LYS 59 2HG LYS 59 1.085 -4.794 -3.874 426 2HG LYS 59 1HG LYS 59 -0.178 -5.548 -4.847 427 1HD LYS 59 2HD LYS 59 2.216 -4.087 -5.897 428 2HD LYS 59 1HD LYS 59 1.962 -5.820 -5.679 429 1HE LYS 59 2HE LYS 59 1.557 -5.379 -8.040 430 2HE LYS 59 1HE LYS 59 0.008 -5.606 -7.225 431 1HZ LYS 59 1HZ LYS 59 1.074 -2.887 -7.673 432 2HZ LYS 59 2HZ LYS 59 -0.570 -3.363 -7.549 433 3HZ LYS 59 3HZ LYS 59 0.356 -3.752 -8.887 434 H ASP 60 H ASP 60 -0.311 -4.912 -1.993 435 HA ASP 60 HA ASP 60 0.529 -2.873 -0.130 436 1HB ASP 60 2HB ASP 60 -0.436 -5.050 0.655 437 2HB ASP 60 1HB ASP 60 0.969 -5.862 -0.034 438 H ALA 61 H ALA 61 2.441 -2.056 -0.084 439 HA ALA 61 HA ALA 61 4.444 -3.142 -1.956 440 1HB ALA 61 1HB ALA 61 3.509 -0.980 -2.576 441 2HB ALA 61 2HB ALA 61 5.236 -0.879 -2.234 442 3HB ALA 61 3HB ALA 61 4.067 -0.305 -1.045 443 H SER 62 H SER 62 4.114 -3.762 1.006 444 HA SER 62 HA SER 62 5.909 -2.309 2.499 445 1HB SER 62 2HB SER 62 5.194 -5.222 2.891 446 2HB SER 62 1HB SER 62 5.915 -4.146 4.095 447 HG SER 62 HG SER 62 3.386 -4.075 2.915 448 H ARG 63 H ARG 63 6.634 -5.161 0.487 449 HA ARG 63 HA ARG 63 9.343 -5.408 1.333 450 1HB ARG 63 2HB ARG 63 8.190 -7.222 0.055 451 2HB ARG 63 1HB ARG 63 8.236 -6.204 -1.382 452 1HG ARG 63 2HG ARG 63 10.809 -6.137 -0.960 453 2HG ARG 63 1HG ARG 63 10.510 -7.545 0.048 454 1HD ARG 63 2HD ARG 63 9.856 -7.287 -2.881 455 2HD ARG 63 1HD ARG 63 11.224 -8.153 -2.206 456 HE ARG 63 HE ARG 63 8.980 -9.248 -1.063 457 1HH1 ARG 63 1HH1 ARG 63 10.403 -8.930 -4.327 458 2HH1 ARG 63 2HH1 ARG 63 9.596 -10.260 -4.966 459 1HH2 ARG 63 1HH2 ARG 63 7.895 -11.145 -1.988 460 2HH2 ARG 63 2HH2 ARG 63 8.145 -11.562 -3.623 461 H ALA 64 H ALA 64 7.810 -3.395 -1.136 462 HA ALA 64 HA ALA 64 10.213 -2.946 -2.654 463 1HB ALA 64 1HB ALA 64 8.867 -1.332 -3.918 464 2HB ALA 64 2HB ALA 64 7.561 -1.495 -2.742 465 3HB ALA 64 3HB ALA 64 8.028 -2.871 -3.745 466 H LEU 65 H LEU 65 8.408 -1.376 -0.234 467 HA LEU 65 HA LEU 65 9.598 1.133 -0.037 468 1HB LEU 65 2HB LEU 65 8.732 -0.786 2.022 469 2HB LEU 65 1HB LEU 65 8.962 0.921 2.319 470 HG LEU 65 HG LEU 65 6.832 -0.371 0.606 471 1HD1 LEU 65 1HD1 LEU 65 6.714 -0.709 3.040 472 2HD1 LEU 65 2HD1 LEU 65 5.380 0.222 2.369 473 3HD1 LEU 65 3HD1 LEU 65 6.676 1.041 3.245 474 1HD2 LEU 65 1HD2 LEU 65 7.449 1.952 -0.129 475 2HD2 LEU 65 2HD2 LEU 65 7.011 2.471 1.530 476 3HD2 LEU 65 3HD2 LEU 65 5.808 1.763 0.502 477 H GLY 66 H GLY 66 10.364 -1.985 1.472 478 1HA GLY 66 2HA GLY 66 12.588 -1.029 2.947 479 2HA GLY 66 1HA GLY 66 12.131 -2.709 2.744 480 H LYS 67 H LYS 67 12.231 -2.550 -0.163 481 HA LYS 67 HA LYS 67 15.045 -3.110 -0.502 482 1HB LYS 67 2HB LYS 67 13.019 -2.729 -2.706 483 2HB LYS 67 1HB LYS 67 14.535 -3.588 -2.808 484 1HG LYS 67 2HG LYS 67 12.057 -4.425 -1.331 485 2HG LYS 67 1HG LYS 67 12.695 -5.117 -2.821 486 1HD LYS 67 2HD LYS 67 13.990 -5.210 -0.089 487 2HD LYS 67 1HD LYS 67 13.159 -6.532 -0.910 488 1HE LYS 67 2HE LYS 67 14.861 -6.448 -2.697 489 2HE LYS 67 1HE LYS 67 15.612 -5.123 -1.793 490 1HZ LYS 67 1HZ LYS 67 15.277 -7.848 -0.682 491 2HZ LYS 67 2HZ LYS 67 16.093 -6.528 0.011 492 3HZ LYS 67 3HZ LYS 67 16.707 -7.261 -1.375 493 H MET 68 H MET 68 12.854 -0.558 -1.153 494 HA MET 68 HA MET 68 12.947 1.460 -1.906 495 1HB MET 68 2HB MET 68 15.985 1.298 -1.810 496 2HB MET 68 1HB MET 68 15.055 2.765 -2.073 497 1HG MET 68 2HG MET 68 14.002 2.321 0.209 498 2HG MET 68 1HG MET 68 15.215 1.091 0.395 499 1HE MET 68 1HE MET 68 16.355 5.545 -0.106 500 2HE MET 68 2HE MET 68 14.691 4.966 -0.138 501 3HE MET 68 3HE MET 68 15.798 4.550 -1.447 502 H SER 69 H SER 69 11.955 0.311 -3.526 503 HA SER 69 HA SER 69 13.033 0.621 -6.069 504 1HB SER 69 2HB SER 69 12.301 -2.097 -4.922 505 2HB SER 69 1HB SER 69 12.704 -1.761 -6.590 506 HG SER 69 HG SER 69 14.647 -0.841 -5.011 507 H LYS 70 H LYS 70 11.012 -0.760 -7.222 508 HA LYS 70 HA LYS 70 8.586 0.072 -5.966 509 1HB LYS 70 2HB LYS 70 8.222 1.819 -7.861 510 2HB LYS 70 1HB LYS 70 9.137 2.236 -6.405 511 1HG LYS 70 2HG LYS 70 11.152 1.829 -7.460 512 2HG LYS 70 1HG LYS 70 10.443 1.264 -8.933 513 1HD LYS 70 2HD LYS 70 11.160 3.553 -9.280 514 2HD LYS 70 1HD LYS 70 9.410 3.614 -9.056 515 1HE LYS 70 2HE LYS 70 9.669 4.260 -6.740 516 2HE LYS 70 1HE LYS 70 11.419 4.075 -6.854 517 1HZ LYS 70 1HZ LYS 70 10.729 6.408 -7.013 518 2HZ LYS 70 2HZ LYS 70 9.794 6.017 -8.383 519 3HZ LYS 70 3HZ LYS 70 11.463 5.879 -8.439 520 H ASN 71 H ASN 71 10.208 -1.380 -8.659 521 HA ASN 71 HA ASN 71 7.913 -1.900 -10.240 522 1HB ASN 71 2HB ASN 71 9.177 -3.877 -11.199 523 2HB ASN 71 1HB ASN 71 10.137 -2.370 -11.278 524 1HD2 ASN 71 1HD2 ASN 71 10.558 -3.017 -8.263 525 2HD2 ASN 71 2HD2 ASN 71 11.731 -4.217 -8.266 526 H GLU 72 H GLU 72 6.542 -3.710 -10.411 527 HA GLU 72 HA GLU 72 5.509 -4.572 -7.971 528 1HB GLU 72 2HB GLU 72 4.940 -5.683 -10.713 529 2HB GLU 72 1HB GLU 72 4.010 -6.057 -9.271 530 1HG GLU 72 2HG GLU 72 3.450 -3.696 -9.017 531 2HG GLU 72 1HG GLU 72 4.352 -3.332 -10.489 532 H GLU 73 H GLU 73 8.151 -5.718 -9.436 533 HA GLU 73 HA GLU 73 8.015 -8.521 -9.119 534 1HB GLU 73 2HB GLU 73 9.455 -7.414 -10.735 535 2HB GLU 73 1HB GLU 73 10.229 -6.499 -9.467 536 1HG GLU 73 2HG GLU 73 11.662 -8.246 -10.251 537 2HG GLU 73 1HG GLU 73 11.159 -8.472 -8.574 538 H ASP 74 H ASP 74 8.989 -5.699 -7.273 539 HA ASP 74 HA ASP 74 9.401 -7.449 -5.028 540 1HB ASP 74 2HB ASP 74 10.551 -5.383 -4.159 541 2HB ASP 74 1HB ASP 74 11.554 -6.579 -5.034 542 H VAL 75 H VAL 75 7.111 -5.609 -6.116 543 HA VAL 75 HA VAL 75 6.482 -4.285 -3.592 544 HB VAL 75 HB VAL 75 4.685 -4.634 -6.047 545 1HG1 VAL 75 1HG1 VAL 75 3.512 -2.702 -5.236 546 2HG1 VAL 75 2HG1 VAL 75 4.559 -2.610 -3.842 547 3HG1 VAL 75 3HG1 VAL 75 3.441 -3.990 -4.020 548 1HG2 VAL 75 1HG2 VAL 75 5.286 -2.409 -6.668 549 2HG2 VAL 75 2HG2 VAL 75 6.708 -3.486 -6.619 550 3HG2 VAL 75 3HG2 VAL 75 6.421 -2.326 -5.315 551 H SER 76 H SER 76 6.037 -5.696 -1.986 552 HA SER 76 HA SER 76 4.009 -7.730 -2.379 553 1HB SER 76 2HB SER 76 6.087 -8.740 -3.164 554 2HB SER 76 1HB SER 76 6.866 -8.386 -1.636 555 HG SER 76 HG SER 76 6.181 -10.343 -1.115 556 HA PRO 77 HA PRO 77 3.365 -6.657 1.948 557 1HB PRO 77 2HB PRO 77 1.542 -8.506 2.563 558 2HB PRO 77 1HB PRO 77 1.172 -7.171 1.471 559 1HG PRO 77 2HG PRO 77 1.808 -10.025 0.853 560 2HG PRO 77 1HG PRO 77 0.619 -8.956 0.095 561 1HD PRO 77 2HD PRO 77 3.095 -9.526 -0.965 562 2HD PRO 77 1HD PRO 77 2.155 -8.063 -1.330 563 H SER 78 H SER 78 4.564 -9.765 1.041 564 HA SER 78 HA SER 78 4.408 -11.101 3.619 565 1HB SER 78 2HB SER 78 4.537 -12.262 1.337 566 2HB SER 78 1HB SER 78 6.230 -11.711 1.399 567 HG SER 78 HG SER 78 4.916 -13.545 3.091 568 H LEU 79 H LEU 79 7.104 -9.402 2.209 569 HA LEU 79 HA LEU 79 8.921 -8.649 3.273 570 1HB LEU 79 2HB LEU 79 7.328 -9.384 5.691 571 2HB LEU 79 1HB LEU 79 8.814 -8.538 5.853 572 HG LEU 79 HG LEU 79 6.151 -7.635 4.903 573 1HD1 LEU 79 1HD1 LEU 79 6.781 -7.138 7.194 574 2HD1 LEU 79 2HD1 LEU 79 6.577 -5.674 6.241 575 3HD1 LEU 79 3HD1 LEU 79 8.186 -6.237 6.617 576 1HD2 LEU 79 1HD2 LEU 79 7.513 -7.163 3.026 577 2HD2 LEU 79 2HD2 LEU 79 8.706 -6.304 4.028 578 3HD2 LEU 79 3HD2 LEU 79 7.061 -5.663 3.834 579 H GLU 80 H GLU 80 8.577 -10.998 2.308 580 HA GLU 80 HA GLU 80 9.132 -13.335 3.610 581 1HB GLU 80 2HB GLU 80 9.785 -14.129 1.289 582 2HB GLU 80 1HB GLU 80 8.167 -13.491 1.517 583 1HG GLU 80 2HG GLU 80 10.407 -11.789 0.430 584 2HG GLU 80 1HG GLU 80 9.478 -12.765 -0.643 585 H GLY 81 H GLY 81 11.537 -11.607 1.576 586 1HA GLY 81 2HA GLY 81 13.577 -13.071 3.090 587 2HA GLY 81 1HA GLY 81 13.717 -12.705 1.376 588 H LEU 82 H LEU 82 13.234 -11.068 4.479 589 HA LEU 82 HA LEU 82 14.978 -8.937 3.565 590 1HB LEU 82 2HB LEU 82 12.248 -8.655 4.779 591 2HB LEU 82 1HB LEU 82 13.375 -7.336 4.540 592 HG LEU 82 HG LEU 82 12.216 -8.984 2.281 593 1HD1 LEU 82 1HD1 LEU 82 10.533 -7.632 3.484 594 2HD1 LEU 82 2HD1 LEU 82 10.886 -7.072 1.837 595 3HD1 LEU 82 3HD1 LEU 82 11.581 -6.219 3.230 596 1HD2 LEU 82 1HD2 LEU 82 14.420 -7.881 1.946 597 2HD2 LEU 82 2HD2 LEU 82 13.558 -6.363 2.332 598 3HD2 LEU 82 3HD2 LEU 82 13.099 -7.296 0.913 599 H THR 83 H THR 83 16.479 -8.591 5.048 600 HA THR 83 HA THR 83 16.317 -9.650 7.693 601 HB THR 83 HB THR 83 18.505 -8.445 7.938 602 HG1 THR 83 1HG THR 83 19.288 -7.632 5.812 603 1HG2 THR 83 1HG2 THR 83 19.744 -9.798 6.311 604 2HG2 THR 83 2HG2 THR 83 18.253 -10.088 5.413 605 3HG2 THR 83 3HG2 THR 83 18.439 -10.731 7.047 606 H GLU 84 H GLU 84 17.005 -7.885 9.493 607 HA GLU 84 HA GLU 84 14.817 -6.143 9.631 608 1HB GLU 84 2HB GLU 84 17.305 -6.188 11.286 609 2HB GLU 84 1HB GLU 84 15.901 -5.183 11.647 610 1HG GLU 84 2HG GLU 84 14.526 -7.226 11.737 611 2HG GLU 84 1HG GLU 84 16.015 -8.119 11.436 612 H LYS 85 H LYS 85 18.035 -5.675 8.489 613 HA LYS 85 HA LYS 85 18.227 -2.894 8.271 614 1HB LYS 85 2HB LYS 85 19.978 -4.392 7.534 615 2HB LYS 85 1HB LYS 85 18.935 -5.041 6.278 616 1HG LYS 85 2HG LYS 85 18.813 -2.673 5.393 617 2HG LYS 85 1HG LYS 85 20.194 -2.325 6.435 618 1HD LYS 85 2HD LYS 85 20.022 -4.440 4.326 619 2HD LYS 85 1HD LYS 85 20.909 -2.924 4.160 620 1HE LYS 85 2HE LYS 85 21.522 -5.122 6.161 621 2HE LYS 85 1HE LYS 85 22.458 -4.763 4.716 622 1HZ LYS 85 1HZ LYS 85 22.100 -2.940 7.041 623 2HZ LYS 85 2HZ LYS 85 22.975 -2.587 5.653 624 3HZ LYS 85 3HZ LYS 85 23.485 -3.819 6.667 625 H GLU 86 H GLU 86 16.855 -5.229 6.027 626 HA GLU 86 HA GLU 86 15.908 -3.541 4.053 627 1HB GLU 86 2HB GLU 86 15.370 -6.261 5.043 628 2HB GLU 86 1HB GLU 86 14.581 -5.701 3.611 629 1HG GLU 86 2HG GLU 86 17.549 -6.017 4.092 630 2HG GLU 86 1HG GLU 86 16.541 -7.056 3.088 631 H ILE 87 H ILE 87 14.340 -5.291 6.624 632 HA ILE 87 HA ILE 87 11.736 -4.462 6.230 633 HB ILE 87 HB ILE 87 13.279 -5.464 8.516 634 1HG1 ILE 87 2HG1 ILE 87 12.922 -7.018 6.725 635 2HG1 ILE 87 1HG1 ILE 87 12.070 -7.558 8.164 636 1HG2 ILE 87 1HG2 ILE 87 11.429 -4.195 9.499 637 2HG2 ILE 87 2HG2 ILE 87 11.096 -5.927 9.706 638 3HG2 ILE 87 3HG2 ILE 87 10.296 -5.008 8.417 639 1HD1 ILE 87 1HD1 ILE 87 10.024 -6.692 7.283 640 2HD1 ILE 87 2HD1 ILE 87 10.740 -7.905 6.212 641 3HD1 ILE 87 3HD1 ILE 87 10.832 -6.186 5.794 642 H ASN 88 H ASN 88 14.219 -3.175 8.453 643 HA ASN 88 HA ASN 88 12.694 -1.207 9.704 644 1HB ASN 88 2HB ASN 88 15.606 -1.591 9.274 645 2HB ASN 88 1HB ASN 88 15.026 -0.066 9.947 646 1HD2 ASN 88 1HD2 ASN 88 16.568 -2.532 11.114 647 2HD2 ASN 88 2HD2 ASN 88 15.645 -2.885 12.529 648 H THR 89 H THR 89 14.313 -1.206 6.695 649 HA THR 89 HA THR 89 14.225 1.537 6.242 650 HB THR 89 HB THR 89 14.132 -0.728 4.233 651 HG1 THR 89 1HG THR 89 15.984 -0.889 5.521 652 1HG2 THR 89 1HG2 THR 89 15.102 0.940 2.720 653 2HG2 THR 89 2HG2 THR 89 14.956 2.140 4.030 654 3HG2 THR 89 3HG2 THR 89 13.501 1.418 3.320 655 H LEU 90 H LEU 90 11.797 -1.040 5.721 656 HA LEU 90 HA LEU 90 10.070 0.664 4.165 657 1HB LEU 90 2HB LEU 90 8.809 -1.185 3.802 658 2HB LEU 90 1HB LEU 90 10.209 -2.049 4.422 659 HG LEU 90 HG LEU 90 8.879 -1.551 6.653 660 1HD1 LEU 90 1HD1 LEU 90 6.674 -1.854 4.652 661 2HD1 LEU 90 2HD1 LEU 90 7.027 -0.438 5.635 662 3HD1 LEU 90 3HD1 LEU 90 6.486 -1.933 6.407 663 1HD2 LEU 90 1HD2 LEU 90 9.678 -3.689 5.970 664 2HD2 LEU 90 2HD2 LEU 90 8.347 -3.773 4.777 665 3HD2 LEU 90 3HD2 LEU 90 7.988 -3.798 6.517 666 H ASN 91 H ASN 91 10.466 -0.436 7.393 667 HA ASN 91 HA ASN 91 8.205 0.548 8.613 668 1HB ASN 91 2HB ASN 91 11.008 0.201 9.629 669 2HB ASN 91 1HB ASN 91 9.701 0.735 10.664 670 1HD2 ASN 91 1HD2 ASN 91 11.319 -1.756 10.755 671 2HD2 ASN 91 2HD2 ASN 91 10.178 -3.033 10.664 672 H ASP 92 H ASP 92 11.114 2.281 7.699 673 HA ASP 92 HA ASP 92 10.352 4.802 8.807 674 1HB ASP 92 2HB ASP 92 12.678 4.344 8.087 675 2HB ASP 92 1HB ASP 92 12.121 4.169 6.427 676 H TRP 93 H TRP 93 10.096 3.321 5.637 677 HA TRP 93 HA TRP 93 8.769 5.264 4.136 678 1HB TRP 93 2HB TRP 93 9.215 2.441 4.191 679 2HB TRP 93 1HB TRP 93 7.998 2.804 3.062 680 HD1 TRP 93 HD TRP 93 11.698 2.924 3.765 681 HE1 TRP 93 1HE TRP 93 13.038 3.656 1.698 682 HE3 TRP 93 3HE TRP 93 7.839 4.419 0.807 683 HZ2 TRP 93 2HZ TRP 93 12.521 4.719 -0.867 684 HZ3 TRP 93 3HZ TRP 93 8.334 5.281 -1.446 685 HH2 TRP 93 HH TRP 93 10.630 5.428 -2.264 686 H GLU 94 H GLU 94 7.399 2.728 6.072 687 HA GLU 94 HA GLU 94 4.725 3.065 5.454 688 1HB GLU 94 2HB GLU 94 5.774 1.264 6.817 689 2HB GLU 94 1HB GLU 94 5.890 2.407 8.145 690 1HG GLU 94 2HG GLU 94 3.420 2.699 7.972 691 2HG GLU 94 1HG GLU 94 3.506 1.367 6.787 692 H THR 95 H THR 95 6.573 4.479 8.134 693 HA THR 95 HA THR 95 4.716 6.073 9.344 694 HB THR 95 HB THR 95 7.666 6.554 9.012 695 HG1 THR 95 1HG THR 95 7.846 4.694 10.099 696 1HG2 THR 95 1HG2 THR 95 5.747 7.230 11.271 697 2HG2 THR 95 2HG2 THR 95 6.466 8.385 10.151 698 3HG2 THR 95 3HG2 THR 95 7.487 7.518 11.297 699 H LYS 96 H LYS 96 6.513 6.566 6.401 700 HA LYS 96 HA LYS 96 6.248 9.422 6.392 701 1HB LYS 96 2HB LYS 96 7.227 7.494 4.278 702 2HB LYS 96 1HB LYS 96 7.356 9.254 4.188 703 1HG LYS 96 2HG LYS 96 8.495 7.626 6.410 704 2HG LYS 96 1HG LYS 96 9.481 8.031 5.039 705 1HD LYS 96 2HD LYS 96 9.120 10.438 5.553 706 2HD LYS 96 1HD LYS 96 8.089 9.977 6.899 707 1HE LYS 96 2HE LYS 96 10.316 10.580 7.681 708 2HE LYS 96 1HE LYS 96 9.961 8.885 7.991 709 1HZ LYS 96 1HZ LYS 96 11.361 8.274 6.118 710 2HZ LYS 96 2HZ LYS 96 12.206 9.242 7.175 711 3HZ LYS 96 3HZ LYS 96 11.626 9.901 5.747 712 H PHE 97 H PHE 97 4.819 6.686 4.841 713 HA PHE 97 HA PHE 97 2.905 8.148 3.362 714 1HB PHE 97 2HB PHE 97 3.206 5.328 4.267 715 2HB PHE 97 1HB PHE 97 1.728 5.827 3.479 716 HD1 PHE 97 1HD PHE 97 5.418 6.223 2.948 717 HD2 PHE 97 2HD PHE 97 1.643 5.328 1.214 718 HE1 PHE 97 1HE PHE 97 6.509 5.839 0.788 719 HE2 PHE 97 2HE PHE 97 2.736 4.937 -0.957 720 HZ PHE 97 HZ PHE 97 5.170 5.192 -1.170 721 H GLU 98 H GLU 98 2.957 6.621 6.492 722 HA GLU 98 HA GLU 98 0.384 6.956 7.432 723 1HB GLU 98 2HB GLU 98 3.054 6.744 8.561 724 2HB GLU 98 1HB GLU 98 1.867 7.169 9.732 725 1HG GLU 98 2HG GLU 98 1.872 4.732 7.959 726 2HG GLU 98 1HG GLU 98 2.287 4.760 9.664 727 H ALA 99 H ALA 99 2.833 9.442 7.102 728 HA ALA 99 HA ALA 99 1.110 11.205 8.694 729 1HB ALA 99 1HB ALA 99 3.976 11.628 7.959 730 2HB ALA 99 2HB ALA 99 3.418 10.942 9.491 731 3HB ALA 99 3HB ALA 99 3.016 12.610 9.068 732 H LYS 100 H LYS 100 1.966 10.547 5.503 733 HA LYS 100 HA LYS 100 1.475 13.322 4.781 734 1HB LYS 100 2HB LYS 100 3.079 11.176 3.430 735 2HB LYS 100 1HB LYS 100 2.426 12.477 2.474 736 1HG LYS 100 2HG LYS 100 4.740 12.904 3.058 737 2HG LYS 100 1HG LYS 100 3.679 14.101 3.777 738 1HD LYS 100 2HD LYS 100 3.864 12.987 5.934 739 2HD LYS 100 1HD LYS 100 4.857 11.719 5.213 740 1HE LYS 100 2HE LYS 100 6.509 13.351 4.593 741 2HE LYS 100 1HE LYS 100 5.558 14.644 5.306 742 1HZ LYS 100 1HZ LYS 100 6.694 12.352 6.879 743 2HZ LYS 100 2HZ LYS 100 5.814 13.641 7.491 744 3HZ LYS 100 3HZ LYS 100 7.313 13.902 6.839 745 H TYR 101 H TYR 101 0.499 10.001 4.217 746 HA TYR 101 HA TYR 101 -1.767 11.025 2.719 747 1HB TYR 101 2HB TYR 101 -0.523 8.280 2.830 748 2HB TYR 101 1HB TYR 101 -1.996 8.691 1.967 749 HD1 TYR 101 1HD TYR 101 1.176 7.809 1.311 750 HD2 TYR 101 2HD TYR 101 -1.403 11.119 0.573 751 HE1 TYR 101 1HE TYR 101 2.523 8.414 -0.635 752 HE2 TYR 101 2HE TYR 101 -0.064 11.739 -1.382 753 HH TYR 101 HH TYR 101 2.233 11.440 -2.135 754 HA PRO 102 HA PRO 102 -4.117 9.808 6.212 755 1HB PRO 102 2HB PRO 102 -6.581 9.734 5.107 756 2HB PRO 102 1HB PRO 102 -5.764 11.246 5.514 757 1HG PRO 102 2HG PRO 102 -6.167 9.941 2.898 758 2HG PRO 102 1HG PRO 102 -6.071 11.658 3.322 759 1HD PRO 102 2HD PRO 102 -3.988 10.188 2.177 760 2HD PRO 102 1HD PRO 102 -3.810 11.725 3.039 761 H VAL 103 H VAL 103 -4.158 7.882 6.968 762 HA VAL 103 HA VAL 103 -4.481 5.626 5.234 763 HB VAL 103 HB VAL 103 -2.819 5.463 7.054 764 1HG1 VAL 103 1HG1 VAL 103 -3.868 6.740 8.775 765 2HG1 VAL 103 2HG1 VAL 103 -3.406 5.124 9.333 766 3HG1 VAL 103 3HG1 VAL 103 -5.100 5.480 8.981 767 1HG2 VAL 103 1HG2 VAL 103 -3.696 3.395 6.192 768 2HG2 VAL 103 2HG2 VAL 103 -5.011 3.428 7.380 769 3HG2 VAL 103 3HG2 VAL 103 -3.328 3.275 7.910 770 H VAL 104 H VAL 104 -6.301 5.420 4.461 771 HA VAL 104 HA VAL 104 -8.697 6.041 5.985 772 HB VAL 104 HB VAL 104 -9.846 6.027 3.835 773 1HG1 VAL 104 1HG1 VAL 104 -7.351 7.736 3.919 774 2HG1 VAL 104 2HG1 VAL 104 -8.893 8.114 4.686 775 3HG1 VAL 104 3HG1 VAL 104 -8.770 8.067 2.928 776 1HG2 VAL 104 1HG2 VAL 104 -7.106 5.516 2.666 777 2HG2 VAL 104 2HG2 VAL 104 -8.541 5.939 1.736 778 3HG2 VAL 104 3HG2 VAL 104 -8.484 4.414 2.625 779 H GLY 105 H GLY 105 -6.974 3.309 5.455 780 1HA GLY 105 2HA GLY 105 -9.251 1.753 6.111 781 2HA GLY 105 1HA GLY 105 -8.763 1.502 4.458 782 H ARG 106 H ARG 106 -8.813 -0.541 5.598 783 HA ARG 106 HA ARG 106 -6.128 -1.466 6.414 784 1HB ARG 106 2HB ARG 106 -7.577 -1.582 8.351 785 2HB ARG 106 1HB ARG 106 -8.857 -2.069 7.239 786 1HG ARG 106 2HG ARG 106 -8.151 -3.963 8.675 787 2HG ARG 106 1HG ARG 106 -7.899 -4.264 6.963 788 1HD ARG 106 2HD ARG 106 -6.051 -5.041 8.291 789 2HD ARG 106 1HD ARG 106 -5.552 -3.731 7.217 790 HE ARG 106 HE ARG 106 -6.371 -2.637 9.578 791 1HH1 ARG 106 1HH1 ARG 106 -3.785 -4.783 8.442 792 2HH1 ARG 106 2HH1 ARG 106 -2.655 -4.355 9.617 793 1HH2 ARG 106 1HH2 ARG 106 -4.736 -1.997 11.268 794 2HH2 ARG 106 2HH2 ARG 106 -3.199 -2.720 11.263 795 H VAL 107 H VAL 107 -5.492 -2.916 4.906 796 HA VAL 107 HA VAL 107 -7.626 -4.223 3.414 797 HB VAL 107 HB VAL 107 -6.001 -2.999 1.989 798 1HG1 VAL 107 1HG1 VAL 107 -3.774 -3.788 1.728 799 2HG1 VAL 107 2HG1 VAL 107 -4.086 -4.961 3.042 800 3HG1 VAL 107 3HG1 VAL 107 -4.142 -3.202 3.376 801 1HG2 VAL 107 1HG2 VAL 107 -5.891 -5.985 1.673 802 2HG2 VAL 107 2HG2 VAL 107 -5.483 -4.807 0.427 803 3HG2 VAL 107 3HG2 VAL 107 -7.138 -4.910 1.038 804 H VAL 108 H VAL 108 -7.911 -6.253 3.594 805 HA VAL 108 HA VAL 108 -6.082 -7.750 5.291 806 HB VAL 108 HB VAL 108 -8.004 -9.054 6.024 807 1HG1 VAL 108 1HG1 VAL 108 -8.517 -6.149 5.906 808 2HG1 VAL 108 2HG1 VAL 108 -7.477 -6.942 7.102 809 3HG1 VAL 108 3HG1 VAL 108 -9.262 -7.201 7.111 810 1HG2 VAL 108 1HG2 VAL 108 -9.614 -7.280 4.212 811 2HG2 VAL 108 2HG2 VAL 108 -10.278 -8.455 5.336 812 3HG2 VAL 108 3HG2 VAL 108 -9.334 -9.008 3.929 813 H SER 109 H SER 109 -5.610 -9.852 4.632 814 HA SER 109 HA SER 109 -6.226 -10.278 1.831 815 1HB SER 109 2HB SER 109 -4.276 -8.944 1.902 816 2HB SER 109 1HB SER 109 -3.556 -9.954 3.142 817 HG SER 109 HG SER 109 -3.060 -11.418 1.675 Start of MODEL 13 1 1H MET 1 1HT MET 1 -15.593 -3.264 -8.852 2 2H MET 1 2HT MET 1 -15.097 -1.997 -9.849 3 3H MET 1 3HT MET 1 -15.458 -3.503 -10.521 4 HA MET 1 HA MET 1 -17.210 -1.892 -10.889 5 1HB MET 1 2HB MET 1 -17.983 -4.122 -8.974 6 2HB MET 1 1HB MET 1 -19.097 -3.223 -9.982 7 1HG MET 1 2HG MET 1 -18.701 -5.351 -10.996 8 2HG MET 1 1HG MET 1 -17.948 -4.113 -11.991 9 1HE MET 1 1HE MET 1 -17.390 -7.103 -9.501 10 2HE MET 1 2HE MET 1 -16.678 -5.767 -8.604 11 3HE MET 1 3HE MET 1 -15.648 -7.049 -9.237 12 H GLY 2 H GLY 2 -17.882 -0.021 -10.205 13 1HA GLY 2 2HA GLY 2 -19.009 1.396 -8.759 14 2HA GLY 2 1HA GLY 2 -18.690 0.283 -7.437 15 H HIS 3 H HIS 3 -18.340 3.126 -7.550 16 HA HIS 3 HA HIS 3 -15.499 3.657 -7.580 17 1HB HIS 3 2HB HIS 3 -17.182 5.383 -8.204 18 2HB HIS 3 1HB HIS 3 -17.812 5.338 -6.564 19 HD1 HIS 3 1HD HIS 3 -16.670 6.837 -4.860 20 HD2 HIS 3 2HD HIS 3 -14.563 6.568 -8.433 21 HE1 HIS 3 1HE HIS 3 -14.876 8.554 -4.710 22 HE2 HIS 3 2HE HIS 3 -13.782 8.551 -6.947 23 H HIS 4 H HIS 4 -17.822 2.498 -5.405 24 HA HIS 4 HA HIS 4 -17.800 1.676 -3.379 25 1HB HIS 4 2HB HIS 4 -14.815 1.870 -3.633 26 2HB HIS 4 1HB HIS 4 -15.560 1.345 -2.131 27 HD1 HIS 4 1HD HIS 4 -15.223 -1.140 -2.060 28 HD2 HIS 4 2HD HIS 4 -16.396 0.179 -5.830 29 HE1 HIS 4 1HE HIS 4 -15.581 -3.200 -3.417 30 HE2 HIS 4 2HE HIS 4 -16.049 -2.363 -5.749 31 H HIS 5 H HIS 5 -19.053 2.949 -2.413 32 HA HIS 5 HA HIS 5 -17.940 5.155 -0.891 33 1HB HIS 5 2HB HIS 5 -20.100 5.483 -2.152 34 2HB HIS 5 1HB HIS 5 -20.822 4.208 -1.186 35 HD1 HIS 5 1HD HIS 5 -22.156 5.052 0.719 36 HD2 HIS 5 2HD HIS 5 -19.171 7.721 -0.372 37 HE1 HIS 5 1HE HIS 5 -22.502 7.086 2.158 38 HE2 HIS 5 2HE HIS 5 -20.511 8.515 1.689 39 H HIS 6 H HIS 6 -16.853 4.182 0.668 40 HA HIS 6 HA HIS 6 -17.954 1.818 1.832 41 1HB HIS 6 2HB HIS 6 -15.666 1.628 2.993 42 2HB HIS 6 1HB HIS 6 -15.864 1.214 1.291 43 HD1 HIS 6 1HD HIS 6 -14.211 3.774 3.576 44 HD2 HIS 6 2HD HIS 6 -14.438 2.810 -0.473 45 HE1 HIS 6 1HE HIS 6 -12.397 5.065 2.459 46 HE2 HIS 6 2HE HIS 6 -12.435 4.326 0.045 47 H HIS 7 H HIS 7 -18.973 1.629 3.370 48 HA HIS 7 HA HIS 7 -19.403 3.577 5.413 49 1HB HIS 7 2HB HIS 7 -20.937 1.862 6.381 50 2HB HIS 7 1HB HIS 7 -21.235 2.144 4.671 51 HD1 HIS 7 1HD HIS 7 -20.773 -0.536 7.056 52 HD2 HIS 7 2HD HIS 7 -20.041 -0.031 3.003 53 HE1 HIS 7 1HE HIS 7 -20.457 -2.843 6.136 54 HE2 HIS 7 2HE HIS 7 -19.894 -2.506 3.715 55 H HIS 8 H HIS 8 -18.375 3.815 7.272 56 HA HIS 8 HA HIS 8 -17.006 3.565 9.046 57 1HB HIS 8 2HB HIS 8 -17.019 0.585 8.417 58 2HB HIS 8 1HB HIS 8 -16.256 1.286 9.829 59 HD1 HIS 8 1HD HIS 8 -17.792 1.859 11.804 60 HD2 HIS 8 2HD HIS 8 -19.827 0.471 8.469 61 HE1 HIS 8 1HE HIS 8 -20.123 1.371 12.590 62 HE2 HIS 8 2HE HIS 8 -21.376 0.753 10.509 63 H LEU 9 H LEU 9 -15.790 1.114 6.795 64 HA LEU 9 HA LEU 9 -13.632 2.627 5.815 65 1HB LEU 9 2HB LEU 9 -11.792 1.571 6.875 66 2HB LEU 9 1HB LEU 9 -12.859 1.900 8.211 67 HG LEU 9 HG LEU 9 -12.262 -0.756 6.914 68 1HD1 LEU 9 1HD1 LEU 9 -10.590 -0.058 8.444 69 2HD1 LEU 9 2HD1 LEU 9 -11.493 -1.412 9.123 70 3HD1 LEU 9 3HD1 LEU 9 -11.798 0.226 9.697 71 1HD2 LEU 9 1HD2 LEU 9 -14.604 -0.774 7.377 72 2HD2 LEU 9 2HD2 LEU 9 -14.353 -0.242 9.051 73 3HD2 LEU 9 3HD2 LEU 9 -13.776 -1.837 8.509 74 H GLU 10 H GLU 10 -12.253 0.652 4.584 75 HA GLU 10 HA GLU 10 -14.196 -1.452 4.208 76 1HB GLU 10 2HB GLU 10 -14.439 0.257 2.365 77 2HB GLU 10 1HB GLU 10 -12.841 -0.227 1.823 78 1HG GLU 10 2HG GLU 10 -13.613 -2.511 1.567 79 2HG GLU 10 1HG GLU 10 -15.191 -2.048 2.125 80 H GLU 11 H GLU 11 -13.370 -3.455 4.053 81 HA GLU 11 HA GLU 11 -10.588 -3.721 4.192 82 1HB GLU 11 2HB GLU 11 -11.913 -5.065 5.605 83 2HB GLU 11 1HB GLU 11 -12.916 -5.596 4.264 84 1HG GLU 11 2HG GLU 11 -11.209 -6.783 3.315 85 2HG GLU 11 1HG GLU 11 -9.977 -6.161 4.346 86 H PHE 12 H PHE 12 -9.409 -4.100 2.570 87 HA PHE 12 HA PHE 12 -10.608 -4.733 -0.004 88 1HB PHE 12 2HB PHE 12 -8.134 -3.306 0.799 89 2HB PHE 12 1HB PHE 12 -8.622 -3.958 -0.751 90 HD1 PHE 12 1HD PHE 12 -9.274 -1.396 1.820 91 HD2 PHE 12 2HD PHE 12 -10.320 -2.716 -2.082 92 HE1 PHE 12 1HE PHE 12 -10.485 0.705 1.442 93 HE2 PHE 12 2HE PHE 12 -11.536 -0.616 -2.467 94 HZ PHE 12 HZ PHE 12 -11.621 1.098 -0.706 95 H THR 13 H THR 13 -9.786 -6.507 -1.030 96 HA THR 13 HA THR 13 -7.670 -7.902 0.384 97 HB THR 13 HB THR 13 -9.155 -8.838 -2.076 98 HG1 THR 13 1HG THR 13 -9.867 -9.806 0.449 99 1HG2 THR 13 1HG2 THR 13 -8.538 -11.041 -1.182 100 2HG2 THR 13 2HG2 THR 13 -7.707 -10.194 0.160 101 3HG2 THR 13 3HG2 THR 13 -7.138 -9.995 -1.498 102 H ALA 14 H ALA 14 -5.757 -8.533 -0.761 103 HA ALA 14 HA ALA 14 -4.442 -6.480 -2.047 104 1HB ALA 14 1HB ALA 14 -2.685 -8.053 -2.568 105 2HB ALA 14 2HB ALA 14 -3.781 -9.406 -2.280 106 3HB ALA 14 3HB ALA 14 -3.317 -8.340 -0.950 107 H GLU 15 H GLU 15 -5.961 -9.271 -3.623 108 HA GLU 15 HA GLU 15 -5.132 -8.531 -6.228 109 1HB GLU 15 2HB GLU 15 -7.412 -10.285 -5.357 110 2HB GLU 15 1HB GLU 15 -6.810 -10.178 -7.002 111 1HG GLU 15 2HG GLU 15 -4.608 -10.997 -6.196 112 2HG GLU 15 1HG GLU 15 -5.300 -11.164 -4.586 113 H GLN 16 H GLN 16 -7.902 -7.776 -4.296 114 HA GLN 16 HA GLN 16 -9.394 -6.535 -6.401 115 1HB GLN 16 2HB GLN 16 -9.731 -6.685 -3.426 116 2HB GLN 16 1HB GLN 16 -10.760 -5.642 -4.378 117 1HG GLN 16 2HG GLN 16 -11.900 -7.746 -3.939 118 2HG GLN 16 1HG GLN 16 -11.519 -7.592 -5.645 119 1HE2 GLN 16 1HE2 GLN 16 -10.842 -9.307 -2.733 120 2HE2 GLN 16 2HE2 GLN 16 -9.984 -10.606 -3.485 121 H LEU 17 H LEU 17 -7.184 -5.517 -3.948 122 HA LEU 17 HA LEU 17 -7.594 -2.746 -3.881 123 1HB LEU 17 2HB LEU 17 -6.155 -4.383 -2.422 124 2HB LEU 17 1HB LEU 17 -4.901 -4.078 -3.589 125 HG LEU 17 HG LEU 17 -4.468 -2.732 -1.666 126 1HD1 LEU 17 1HD1 LEU 17 -3.950 -1.619 -3.649 127 2HD1 LEU 17 2HD1 LEU 17 -4.533 -0.489 -2.406 128 3HD1 LEU 17 3HD1 LEU 17 -5.592 -0.965 -3.743 129 1HD2 LEU 17 1HD2 LEU 17 -6.619 -2.754 -0.656 130 2HD2 LEU 17 2HD2 LEU 17 -7.238 -1.678 -1.922 131 3HD2 LEU 17 3HD2 LEU 17 -6.007 -1.102 -0.791 132 H SER 18 H SER 18 -5.851 -4.848 -6.069 133 HA SER 18 HA SER 18 -4.166 -3.032 -7.329 134 1HB SER 18 2HB SER 18 -5.380 -5.562 -8.414 135 2HB SER 18 1HB SER 18 -3.953 -4.739 -9.058 136 HG SER 18 HG SER 18 -3.540 -4.974 -6.507 137 H GLN 19 H GLN 19 -7.553 -3.399 -7.654 138 HA GLN 19 HA GLN 19 -7.686 -2.264 -10.300 139 1HB GLN 19 2HB GLN 19 -9.777 -3.005 -8.278 140 2HB GLN 19 1HB GLN 19 -10.189 -2.140 -9.747 141 1HG GLN 19 2HG GLN 19 -10.596 -4.523 -9.883 142 2HG GLN 19 1HG GLN 19 -9.434 -3.999 -11.102 143 1HE2 GLN 19 1HE2 GLN 19 -9.999 -5.869 -8.270 144 2HE2 GLN 19 2HE2 GLN 19 -8.488 -6.705 -8.285 145 H TYR 20 H TYR 20 -7.075 -1.033 -7.363 146 HA TYR 20 HA TYR 20 -8.320 1.574 -7.911 147 1HB TYR 20 2HB TYR 20 -7.122 0.457 -5.372 148 2HB TYR 20 1HB TYR 20 -7.830 2.060 -5.537 149 HD1 TYR 20 1HD TYR 20 -10.237 2.339 -5.706 150 HD2 TYR 20 2HD TYR 20 -8.502 -1.517 -5.340 151 HE1 TYR 20 1HE TYR 20 -12.444 1.402 -5.175 152 HE2 TYR 20 2HE TYR 20 -10.691 -2.465 -4.809 153 HH TYR 20 HH TYR 20 -12.799 -1.762 -3.970 154 H ASN 21 H ASN 21 -5.818 0.386 -9.121 155 HA ASN 21 HA ASN 21 -3.631 1.809 -7.963 156 1HB ASN 21 2HB ASN 21 -2.269 1.110 -9.855 157 2HB ASN 21 1HB ASN 21 -3.241 -0.246 -9.312 158 1HD2 ASN 21 1HD2 ASN 21 -4.804 -1.094 -10.699 159 2HD2 ASN 21 2HD2 ASN 21 -4.929 -0.587 -12.343 160 H GLY 22 H GLY 22 -6.074 2.712 -10.160 161 1HA GLY 22 2HA GLY 22 -6.534 5.071 -10.237 162 2HA GLY 22 1HA GLY 22 -4.797 5.377 -10.336 163 H THR 23 H THR 23 -5.319 2.838 -12.244 164 HA THR 23 HA THR 23 -5.471 4.519 -14.607 165 HB THR 23 HB THR 23 -4.796 1.592 -14.225 166 HG1 THR 23 1HG THR 23 -2.942 3.529 -15.031 167 1HG2 THR 23 1HG2 THR 23 -4.403 3.316 -16.691 168 2HG2 THR 23 2HG2 THR 23 -5.587 2.017 -16.522 169 3HG2 THR 23 3HG2 THR 23 -3.865 1.644 -16.515 170 H ASP 24 H ASP 24 -7.603 3.146 -12.698 171 HA ASP 24 HA ASP 24 -9.539 2.094 -14.526 172 1HB ASP 24 2HB ASP 24 -9.505 1.764 -11.985 173 2HB ASP 24 1HB ASP 24 -10.048 3.431 -11.847 174 H GLU 25 H GLU 25 -11.883 3.660 -14.239 175 HA GLU 25 HA GLU 25 -10.935 6.063 -15.456 176 1HB GLU 25 2HB GLU 25 -13.486 4.533 -16.013 177 2HB GLU 25 1HB GLU 25 -13.123 6.133 -16.635 178 1HG GLU 25 2HG GLU 25 -11.191 5.153 -17.842 179 2HG GLU 25 1HG GLU 25 -11.709 3.562 -17.278 180 H SER 26 H SER 26 -10.642 6.374 -13.324 181 HA SER 26 HA SER 26 -11.117 7.746 -11.672 182 1HB SER 26 2HB SER 26 -13.849 7.694 -12.775 183 2HB SER 26 1HB SER 26 -13.377 8.523 -11.296 184 HG SER 26 HG SER 26 -11.660 9.018 -13.350 185 H LYS 27 H LYS 27 -10.420 6.053 -10.381 186 HA LYS 27 HA LYS 27 -12.422 5.574 -8.396 187 1HB LYS 27 2HB LYS 27 -10.578 3.389 -9.415 188 2HB LYS 27 1HB LYS 27 -11.315 3.324 -7.831 189 1HG LYS 27 2HG LYS 27 -13.496 3.709 -9.385 190 2HG LYS 27 1HG LYS 27 -12.456 2.830 -10.489 191 1HD LYS 27 2HD LYS 27 -13.112 1.899 -7.681 192 2HD LYS 27 1HD LYS 27 -13.873 1.291 -9.141 193 1HE LYS 27 2HE LYS 27 -10.898 1.167 -8.738 194 2HE LYS 27 1HE LYS 27 -11.964 -0.079 -8.093 195 1HZ LYS 27 1HZ LYS 27 -12.691 -0.574 -10.279 196 2HZ LYS 27 2HZ LYS 27 -11.005 -0.610 -10.289 197 3HZ LYS 27 3HZ LYS 27 -11.815 0.666 -10.990 198 HA PRO 28 HA PRO 28 -9.382 7.262 -5.800 199 1HB PRO 28 2HB PRO 28 -9.762 5.782 -3.508 200 2HB PRO 28 1HB PRO 28 -10.802 7.124 -3.997 201 1HG PRO 28 2HG PRO 28 -11.210 4.188 -4.349 202 2HG PRO 28 1HG PRO 28 -12.381 5.431 -3.877 203 1HD PRO 28 2HD PRO 28 -12.282 4.447 -6.361 204 2HD PRO 28 1HD PRO 28 -12.679 6.143 -6.071 205 H ILE 29 H ILE 29 -7.341 6.853 -5.037 206 HA ILE 29 HA ILE 29 -6.260 4.294 -5.953 207 HB ILE 29 HB ILE 29 -4.721 6.878 -5.412 208 1HG1 ILE 29 2HG1 ILE 29 -4.318 6.915 -7.883 209 2HG1 ILE 29 1HG1 ILE 29 -5.528 5.649 -8.076 210 1HG2 ILE 29 1HG2 ILE 29 -3.843 4.291 -6.661 211 2HG2 ILE 29 2HG2 ILE 29 -3.367 4.902 -5.076 212 3HG2 ILE 29 3HG2 ILE 29 -2.856 5.746 -6.540 213 1HD1 ILE 29 1HD1 ILE 29 -5.927 8.461 -7.089 214 2HD1 ILE 29 2HD1 ILE 29 -7.206 7.244 -7.207 215 3HD1 ILE 29 3HD1 ILE 29 -6.383 7.816 -8.662 216 H TYR 30 H TYR 30 -5.189 2.953 -4.531 217 HA TYR 30 HA TYR 30 -5.062 3.936 -1.785 218 1HB TYR 30 2HB TYR 30 -6.263 1.335 -2.690 219 2HB TYR 30 1HB TYR 30 -5.861 1.685 -1.022 220 HD1 TYR 30 1HD TYR 30 -8.518 1.432 -3.108 221 HD2 TYR 30 2HD TYR 30 -6.820 4.250 -0.427 222 HE1 TYR 30 1HE TYR 30 -10.724 2.473 -2.809 223 HE2 TYR 30 2HE TYR 30 -9.020 5.297 -0.127 224 HH TYR 30 HH TYR 30 -11.090 5.486 -1.348 225 H VAL 31 H VAL 31 -3.303 3.511 -0.729 226 HA VAL 31 HA VAL 31 -1.465 1.453 -1.766 227 HB VAL 31 HB VAL 31 -0.756 4.064 -0.357 228 1HG1 VAL 31 1HG1 VAL 31 0.776 2.235 0.297 229 2HG1 VAL 31 2HG1 VAL 31 1.566 3.441 -0.732 230 3HG1 VAL 31 3HG1 VAL 31 1.071 1.899 -1.419 231 1HG2 VAL 31 1HG2 VAL 31 -1.399 4.270 -2.661 232 2HG2 VAL 31 2HG2 VAL 31 -0.158 3.071 -3.090 233 3HG2 VAL 31 3HG2 VAL 31 0.322 4.644 -2.416 234 H ALA 32 H ALA 32 -0.729 -0.007 -0.303 235 HA ALA 32 HA ALA 32 -1.659 0.404 2.429 236 1HB ALA 32 1HB ALA 32 -2.971 -1.279 1.284 237 2HB ALA 32 2HB ALA 32 -2.014 -1.976 2.592 238 3HB ALA 32 3HB ALA 32 -1.507 -2.181 0.918 239 H ILE 33 H ILE 33 -0.209 0.337 3.904 240 HA ILE 33 HA ILE 33 2.292 -1.142 3.470 241 HB ILE 33 HB ILE 33 2.046 1.503 4.981 242 1HG1 ILE 33 2HG1 ILE 33 3.372 0.972 2.329 243 2HG1 ILE 33 1HG1 ILE 33 1.865 1.848 2.511 244 1HG2 ILE 33 1HG2 ILE 33 3.808 0.087 5.897 245 2HG2 ILE 33 2HG2 ILE 33 4.542 1.421 4.973 246 3HG2 ILE 33 3HG2 ILE 33 4.457 -0.171 4.278 247 1HD1 ILE 33 1HD1 ILE 33 3.693 3.389 2.215 248 2HD1 ILE 33 2HD1 ILE 33 4.562 2.643 3.551 249 3HD1 ILE 33 3HD1 ILE 33 3.069 3.533 3.863 250 H LYS 34 H LYS 34 2.416 -2.686 4.950 251 HA LYS 34 HA LYS 34 2.028 -3.978 6.792 252 1HB LYS 34 2HB LYS 34 1.580 -1.283 8.058 253 2HB LYS 34 1HB LYS 34 1.577 -2.779 8.977 254 1HG LYS 34 2HG LYS 34 3.850 -3.216 8.444 255 2HG LYS 34 1HG LYS 34 3.893 -1.887 7.287 256 1HD LYS 34 2HD LYS 34 3.439 -1.575 10.256 257 2HD LYS 34 1HD LYS 34 4.992 -1.365 9.437 258 1HE LYS 34 2HE LYS 34 4.007 0.349 8.032 259 2HE LYS 34 1HE LYS 34 2.486 0.249 8.923 260 1HZ LYS 34 1HZ LYS 34 5.131 1.051 10.038 261 2HZ LYS 34 2HZ LYS 34 3.688 0.968 10.934 262 3HZ LYS 34 3HZ LYS 34 3.849 2.082 9.686 263 H GLY 35 H GLY 35 -0.109 -3.192 4.938 264 1HA GLY 35 2HA GLY 35 -2.182 -4.014 4.692 265 2HA GLY 35 1HA GLY 35 -2.331 -4.364 6.379 266 H ARG 36 H ARG 36 -1.278 -1.250 6.319 267 HA ARG 36 HA ARG 36 -3.952 -0.302 6.834 268 1HB ARG 36 2HB ARG 36 -1.375 1.293 6.846 269 2HB ARG 36 1HB ARG 36 -2.901 1.764 7.568 270 1HG ARG 36 2HG ARG 36 -2.659 -0.151 9.158 271 2HG ARG 36 1HG ARG 36 -1.054 -0.434 8.486 272 1HD ARG 36 2HD ARG 36 -0.765 0.872 10.468 273 2HD ARG 36 1HD ARG 36 -0.483 1.946 9.098 274 HE ARG 36 HE ARG 36 -3.186 2.027 9.904 275 1HH1 ARG 36 1HH1 ARG 36 0.030 3.420 10.798 276 2HH1 ARG 36 2HH1 ARG 36 -0.681 4.601 11.767 277 1HH2 ARG 36 1HH2 ARG 36 -4.044 3.758 11.292 278 2HH2 ARG 36 2HH2 ARG 36 -2.957 4.826 12.034 279 H VAL 37 H VAL 37 -5.151 0.219 5.138 280 HA VAL 37 HA VAL 37 -3.903 1.159 2.724 281 HB VAL 37 HB VAL 37 -6.742 0.336 3.368 282 1HG1 VAL 37 1HG1 VAL 37 -6.932 2.374 2.000 283 2HG1 VAL 37 2HG1 VAL 37 -7.326 0.955 1.017 284 3HG1 VAL 37 3HG1 VAL 37 -5.738 1.726 0.890 285 1HG2 VAL 37 1HG2 VAL 37 -4.769 -0.433 1.260 286 2HG2 VAL 37 2HG2 VAL 37 -6.328 -1.211 1.548 287 3HG2 VAL 37 3HG2 VAL 37 -5.034 -1.327 2.753 288 H PHE 38 H PHE 38 -3.517 3.100 2.294 289 HA PHE 38 HA PHE 38 -4.869 5.243 3.789 290 1HB PHE 38 2HB PHE 38 -2.477 5.408 2.042 291 2HB PHE 38 1HB PHE 38 -2.986 6.589 3.237 292 HD1 PHE 38 1HD PHE 38 -2.858 5.815 5.732 293 HD2 PHE 38 2HD PHE 38 -0.877 3.838 2.528 294 HE1 PHE 38 1HE PHE 38 -1.309 4.773 7.323 295 HE2 PHE 38 2HE PHE 38 0.660 2.790 4.116 296 HZ PHE 38 HZ PHE 38 0.452 3.252 6.513 297 H ASP 39 H ASP 39 -5.821 6.893 2.599 298 HA ASP 39 HA ASP 39 -6.347 6.302 -0.199 299 1HB ASP 39 2HB ASP 39 -8.252 7.112 1.127 300 2HB ASP 39 1HB ASP 39 -7.370 8.586 1.511 301 H VAL 40 H VAL 40 -4.808 6.771 -1.531 302 HA VAL 40 HA VAL 40 -3.293 9.243 -1.113 303 HB VAL 40 HB VAL 40 -1.701 8.361 -2.826 304 1HG1 VAL 40 1HG1 VAL 40 -1.219 8.099 -0.461 305 2HG1 VAL 40 2HG1 VAL 40 -0.625 6.755 -1.432 306 3HG1 VAL 40 3HG1 VAL 40 -2.088 6.545 -0.446 307 1HG2 VAL 40 1HG2 VAL 40 -3.257 5.810 -2.519 308 2HG2 VAL 40 2HG2 VAL 40 -1.732 6.019 -3.385 309 3HG2 VAL 40 3HG2 VAL 40 -3.190 6.832 -3.958 310 H THR 41 H THR 41 -6.019 8.762 -2.374 311 HA THR 41 HA THR 41 -5.853 9.357 -5.095 312 HB THR 41 HB THR 41 -8.073 10.136 -3.179 313 HG1 THR 41 1HG THR 41 -8.216 8.042 -2.914 314 1HG2 THR 41 1HG2 THR 41 -8.068 9.448 -6.126 315 2HG2 THR 41 2HG2 THR 41 -8.250 11.071 -5.464 316 3HG2 THR 41 3HG2 THR 41 -9.494 9.853 -5.167 317 H THR 42 H THR 42 -5.632 11.322 -2.239 318 HA THR 42 HA THR 42 -5.974 13.847 -3.412 319 HB THR 42 HB THR 42 -6.101 13.595 -0.996 320 HG1 THR 42 1HG THR 42 -4.935 15.524 -2.136 321 1HG2 THR 42 1HG2 THR 42 -4.461 11.803 -0.683 322 2HG2 THR 42 2HG2 THR 42 -4.115 13.152 0.395 323 3HG2 THR 42 3HG2 THR 42 -3.153 12.921 -1.067 324 H GLY 43 H GLY 43 -3.334 11.632 -3.400 325 1HA GLY 43 2HA GLY 43 -1.642 13.607 -4.761 326 2HA GLY 43 1HA GLY 43 -1.022 12.279 -3.777 327 H LYS 44 H LYS 44 -3.680 12.294 -6.177 328 HA LYS 44 HA LYS 44 -3.210 9.849 -7.214 329 1HB LYS 44 2HB LYS 44 -5.230 11.143 -7.446 330 2HB LYS 44 1HB LYS 44 -4.386 12.312 -8.450 331 1HG LYS 44 2HG LYS 44 -3.962 10.513 -10.081 332 2HG LYS 44 1HG LYS 44 -4.965 9.446 -9.099 333 1HD LYS 44 2HD LYS 44 -5.850 12.028 -10.386 334 2HD LYS 44 1HD LYS 44 -6.130 10.370 -10.920 335 1HE LYS 44 2HE LYS 44 -7.494 9.902 -8.988 336 2HE LYS 44 1HE LYS 44 -7.105 11.473 -8.285 337 1HZ LYS 44 1HZ LYS 44 -8.247 12.540 -10.094 338 2HZ LYS 44 2HZ LYS 44 -9.309 11.475 -9.333 339 3HZ LYS 44 3HZ LYS 44 -8.638 11.072 -10.815 340 H SER 45 H SER 45 -1.807 12.974 -8.116 341 HA SER 45 HA SER 45 -0.744 12.274 -10.575 342 1HB SER 45 2HB SER 45 0.287 14.263 -8.559 343 2HB SER 45 1HB SER 45 0.648 14.254 -10.291 344 HG SER 45 HG SER 45 -1.045 15.673 -9.911 345 H PHE 46 H PHE 46 0.385 11.532 -7.370 346 HA PHE 46 HA PHE 46 3.058 10.800 -8.215 347 1HB PHE 46 2HB PHE 46 1.601 10.294 -5.614 348 2HB PHE 46 1HB PHE 46 3.291 9.934 -5.907 349 HD1 PHE 46 1HD PHE 46 0.811 12.644 -5.554 350 HD2 PHE 46 2HD PHE 46 4.934 11.609 -5.664 351 HE1 PHE 46 1HE PHE 46 1.387 14.874 -4.703 352 HE2 PHE 46 2HE PHE 46 5.521 13.839 -4.817 353 HZ PHE 46 HZ PHE 46 3.748 15.474 -4.333 354 H TYR 47 H TYR 47 0.094 9.168 -7.161 355 HA TYR 47 HA TYR 47 1.345 6.594 -7.652 356 1HB TYR 47 2HB TYR 47 -1.293 7.230 -6.339 357 2HB TYR 47 1HB TYR 47 -0.455 5.675 -6.316 358 HD1 TYR 47 1HD TYR 47 1.663 5.437 -5.041 359 HD2 TYR 47 2HD TYR 47 -0.621 9.011 -4.925 360 HE1 TYR 47 1HE TYR 47 2.940 6.192 -3.089 361 HE2 TYR 47 2HE TYR 47 0.636 9.773 -2.975 362 HH TYR 47 HH TYR 47 3.513 8.270 -1.961 363 H GLY 48 H GLY 48 -1.967 7.860 -8.292 364 1HA GLY 48 2HA GLY 48 -2.393 5.766 -10.234 365 2HA GLY 48 1HA GLY 48 -3.550 6.958 -9.696 366 H SER 49 H SER 49 -0.535 8.073 -10.858 367 HA SER 49 HA SER 49 -1.831 8.772 -13.414 368 1HB SER 49 2HB SER 49 0.146 10.427 -11.852 369 2HB SER 49 1HB SER 49 -0.593 10.886 -13.392 370 HG SER 49 HG SER 49 -1.855 10.402 -10.924 371 H GLY 50 H GLY 50 0.144 6.624 -12.406 372 1HA GLY 50 2HA GLY 50 1.696 5.353 -13.578 373 2HA GLY 50 1HA GLY 50 1.737 6.605 -14.814 374 H GLY 51 H GLY 51 2.181 7.417 -11.507 375 1HA GLY 51 2HA GLY 51 4.857 8.523 -11.957 376 2HA GLY 51 1HA GLY 51 3.910 8.511 -10.468 377 H ASP 52 H ASP 52 6.199 8.245 -9.969 378 HA ASP 52 HA ASP 52 7.673 5.933 -10.409 379 1HB ASP 52 2HB ASP 52 7.635 7.662 -7.926 380 2HB ASP 52 1HB ASP 52 8.828 6.467 -8.424 381 H TYR 53 H TYR 53 5.136 6.650 -8.167 382 HA TYR 53 HA TYR 53 5.576 4.134 -6.767 383 1HB TYR 53 2HB TYR 53 3.869 6.500 -5.991 384 2HB TYR 53 1HB TYR 53 4.188 5.080 -5.002 385 HD1 TYR 53 1HD TYR 53 6.477 4.683 -4.105 386 HD2 TYR 53 2HD TYR 53 5.467 8.263 -6.169 387 HE1 TYR 53 1HE TYR 53 8.507 5.764 -3.221 388 HE2 TYR 53 2HE TYR 53 7.479 9.349 -5.297 389 HH TYR 53 HH TYR 53 8.981 9.109 -3.421 390 H SER 54 H SER 54 4.184 4.570 -9.450 391 HA SER 54 HA SER 54 1.413 4.122 -9.089 392 1HB SER 54 2HB SER 54 2.394 5.008 -11.183 393 2HB SER 54 1HB SER 54 3.169 3.454 -11.466 394 HG SER 54 HG SER 54 0.349 3.876 -11.301 395 H MET 55 H MET 55 4.099 2.012 -8.778 396 HA MET 55 HA MET 55 2.677 -0.470 -9.329 397 1HB MET 55 2HB MET 55 5.203 -0.244 -7.692 398 2HB MET 55 1HB MET 55 4.652 -1.602 -8.659 399 1HG MET 55 2HG MET 55 5.731 1.004 -9.571 400 2HG MET 55 1HG MET 55 6.510 -0.555 -9.710 401 1HE MET 55 1HE MET 55 5.732 0.344 -13.475 402 2HE MET 55 2HE MET 55 6.986 -0.076 -12.305 403 3HE MET 55 3HE MET 55 6.151 1.476 -12.190 404 H PHE 56 H PHE 56 3.180 1.687 -6.783 405 HA PHE 56 HA PHE 56 2.620 -0.140 -4.597 406 1HB PHE 56 2HB PHE 56 3.178 2.845 -4.650 407 2HB PHE 56 1HB PHE 56 3.115 1.837 -3.215 408 HD1 PHE 56 1HD PHE 56 4.997 2.202 -6.433 409 HD2 PHE 56 2HD PHE 56 5.103 0.985 -2.368 410 HE1 PHE 56 1HE PHE 56 7.423 1.843 -6.613 411 HE2 PHE 56 2HE PHE 56 7.506 0.613 -2.532 412 HZ PHE 56 HZ PHE 56 8.688 1.042 -4.663 413 H ALA 57 H ALA 57 0.973 1.641 -6.835 414 HA ALA 57 HA ALA 57 -0.903 3.061 -5.213 415 1HB ALA 57 1HB ALA 57 -0.919 2.590 -8.173 416 2HB ALA 57 2HB ALA 57 -0.069 3.892 -7.351 417 3HB ALA 57 3HB ALA 57 -1.829 3.818 -7.294 418 H GLY 58 H GLY 58 -0.815 -0.149 -5.939 419 1HA GLY 58 2HA GLY 58 -3.611 -0.359 -5.256 420 2HA GLY 58 1HA GLY 58 -3.253 -1.039 -6.816 421 H LYS 59 H LYS 59 -1.040 -1.103 -4.149 422 HA LYS 59 HA LYS 59 -1.729 -3.832 -3.533 423 1HB LYS 59 2HB LYS 59 0.862 -3.018 -4.725 424 2HB LYS 59 1HB LYS 59 0.758 -4.383 -3.618 425 1HG LYS 59 2HG LYS 59 -0.789 -5.432 -4.965 426 2HG LYS 59 1HG LYS 59 -0.877 -4.058 -6.082 427 1HD LYS 59 2HD LYS 59 1.460 -4.443 -6.629 428 2HD LYS 59 1HD LYS 59 1.480 -5.817 -5.505 429 1HE LYS 59 2HE LYS 59 -0.169 -6.923 -6.666 430 2HE LYS 59 1HE LYS 59 -0.476 -5.446 -7.606 431 1HZ LYS 59 1HZ LYS 59 0.766 -7.190 -8.867 432 2HZ LYS 59 2HZ LYS 59 1.996 -7.142 -7.708 433 3HZ LYS 59 3HZ LYS 59 1.677 -5.779 -8.677 434 H ASP 60 H ASP 60 -0.475 -4.672 -1.926 435 HA ASP 60 HA ASP 60 0.211 -2.679 0.133 436 1HB ASP 60 2HB ASP 60 -0.940 -4.889 0.824 437 2HB ASP 60 1HB ASP 60 0.544 -5.691 0.337 438 H ALA 61 H ALA 61 2.001 -1.802 -0.269 439 HA ALA 61 HA ALA 61 3.935 -3.292 -1.876 440 1HB ALA 61 1HB ALA 61 4.727 -1.127 -2.565 441 2HB ALA 61 2HB ALA 61 3.567 -0.356 -1.466 442 3HB ALA 61 3HB ALA 61 2.996 -1.330 -2.825 443 H SER 62 H SER 62 3.653 -3.397 1.085 444 HA SER 62 HA SER 62 5.585 -1.840 2.294 445 1HB SER 62 2HB SER 62 4.688 -4.575 3.212 446 2HB SER 62 1HB SER 62 5.414 -3.248 4.143 447 HG SER 62 HG SER 62 2.876 -3.438 3.008 448 H ARG 63 H ARG 63 5.965 -5.114 0.813 449 HA ARG 63 HA ARG 63 8.673 -5.259 1.719 450 1HB ARG 63 2HB ARG 63 7.281 -7.287 1.052 451 2HB ARG 63 1HB ARG 63 7.573 -6.825 -0.624 452 1HG ARG 63 2HG ARG 63 10.004 -6.936 -0.213 453 2HG ARG 63 1HG ARG 63 9.655 -7.460 1.430 454 1HD ARG 63 2HD ARG 63 8.460 -9.424 0.449 455 2HD ARG 63 1HD ARG 63 9.080 -8.926 -1.130 456 HE ARG 63 HE ARG 63 11.001 -9.289 1.029 457 1HH1 ARG 63 1HH1 ARG 63 9.724 -10.469 -2.038 458 2HH1 ARG 63 2HH1 ARG 63 10.889 -11.701 -2.211 459 1HH2 ARG 63 1HH2 ARG 63 12.613 -10.947 0.785 460 2HH2 ARG 63 2HH2 ARG 63 12.579 -11.958 -0.587 461 H ALA 64 H ALA 64 7.104 -3.871 -0.991 462 HA ALA 64 HA ALA 64 9.360 -3.843 -2.731 463 1HB ALA 64 1HB ALA 64 6.782 -2.257 -2.809 464 2HB ALA 64 2HB ALA 64 7.184 -3.714 -3.751 465 3HB ALA 64 3HB ALA 64 8.021 -2.209 -4.058 466 H LEU 65 H LEU 65 7.884 -1.815 -0.391 467 HA LEU 65 HA LEU 65 9.417 0.509 -0.665 468 1HB LEU 65 2HB LEU 65 7.963 -0.782 1.575 469 2HB LEU 65 1HB LEU 65 8.796 0.731 1.802 470 HG LEU 65 HG LEU 65 6.474 0.248 -0.104 471 1HD1 LEU 65 1HD1 LEU 65 5.247 1.682 1.389 472 2HD1 LEU 65 2HD1 LEU 65 6.619 1.789 2.487 473 3HD1 LEU 65 3HD1 LEU 65 5.798 0.250 2.242 474 1HD2 LEU 65 1HD2 LEU 65 8.007 1.919 -0.958 475 2HD2 LEU 65 2HD2 LEU 65 8.043 2.635 0.644 476 3HD2 LEU 65 3HD2 LEU 65 6.546 2.715 -0.306 477 H GLY 66 H GLY 66 10.121 -2.523 0.935 478 1HA GLY 66 2HA GLY 66 12.449 -1.328 2.161 479 2HA GLY 66 1HA GLY 66 11.963 -2.999 2.358 480 H LYS 67 H LYS 67 11.694 -3.344 -0.527 481 HA LYS 67 HA LYS 67 14.464 -4.007 -1.063 482 1HB LYS 67 2HB LYS 67 11.927 -4.558 -2.599 483 2HB LYS 67 1HB LYS 67 13.511 -5.208 -2.978 484 1HG LYS 67 2HG LYS 67 12.355 -5.710 -0.268 485 2HG LYS 67 1HG LYS 67 11.740 -6.619 -1.637 486 1HD LYS 67 2HD LYS 67 13.515 -7.807 -0.378 487 2HD LYS 67 1HD LYS 67 13.926 -7.549 -2.064 488 1HE LYS 67 2HE LYS 67 15.390 -5.714 -1.433 489 2HE LYS 67 1HE LYS 67 14.922 -5.894 0.263 490 1HZ LYS 67 1HZ LYS 67 15.868 -8.027 0.305 491 2HZ LYS 67 2HZ LYS 67 17.039 -6.958 -0.272 492 3HZ LYS 67 3HZ LYS 67 16.256 -8.015 -1.343 493 H MET 68 H MET 68 12.130 -1.625 -1.998 494 HA MET 68 HA MET 68 12.039 0.067 -3.398 495 1HB MET 68 2HB MET 68 15.044 -0.289 -3.468 496 2HB MET 68 1HB MET 68 14.240 1.053 -4.296 497 1HG MET 68 2HG MET 68 14.328 0.421 -1.360 498 2HG MET 68 1HG MET 68 15.189 1.708 -2.198 499 1HE MET 68 1HE MET 68 13.948 3.816 -3.322 500 2HE MET 68 2HE MET 68 12.202 4.047 -3.272 501 3HE MET 68 3HE MET 68 12.887 2.736 -4.228 502 H SER 69 H SER 69 11.305 -2.283 -4.311 503 HA SER 69 HA SER 69 12.370 -2.653 -6.999 504 1HB SER 69 2HB SER 69 12.042 -4.640 -5.664 505 2HB SER 69 1HB SER 69 10.333 -4.262 -5.436 506 HG SER 69 HG SER 69 11.612 -5.497 -7.455 507 H LYS 70 H LYS 70 10.809 -2.920 -8.746 508 HA LYS 70 HA LYS 70 8.422 -1.261 -8.381 509 1HB LYS 70 2HB LYS 70 10.306 -1.155 -10.715 510 2HB LYS 70 1HB LYS 70 8.787 -0.283 -10.573 511 1HG LYS 70 2HG LYS 70 9.602 0.964 -8.706 512 2HG LYS 70 1HG LYS 70 11.086 -0.002 -8.686 513 1HD LYS 70 2HD LYS 70 11.487 2.177 -9.777 514 2HD LYS 70 1HD LYS 70 11.617 0.823 -10.914 515 1HE LYS 70 2HE LYS 70 9.371 1.280 -11.744 516 2HE LYS 70 1HE LYS 70 9.198 2.595 -10.580 517 1HZ LYS 70 1HZ LYS 70 11.170 2.484 -12.795 518 2HZ LYS 70 2HZ LYS 70 10.995 3.746 -11.695 519 3HZ LYS 70 3HZ LYS 70 9.747 3.393 -12.767 520 H ASN 71 H ASN 71 9.717 -4.177 -9.441 521 HA ASN 71 HA ASN 71 7.629 -4.589 -11.354 522 1HB ASN 71 2HB ASN 71 8.184 -6.977 -11.325 523 2HB ASN 71 1HB ASN 71 9.510 -5.963 -11.903 524 1HD2 ASN 71 1HD2 ASN 71 8.639 -6.577 -8.506 525 2HD2 ASN 71 2HD2 ASN 71 10.072 -7.491 -8.148 526 H GLU 72 H GLU 72 5.885 -5.789 -11.263 527 HA GLU 72 HA GLU 72 4.314 -5.313 -9.042 528 1HB GLU 72 2HB GLU 72 2.700 -6.691 -10.134 529 2HB GLU 72 1HB GLU 72 3.425 -5.542 -11.266 530 1HG GLU 72 2HG GLU 72 4.889 -7.438 -12.013 531 2HG GLU 72 1HG GLU 72 3.922 -8.493 -10.994 532 H GLU 73 H GLU 73 6.291 -8.045 -9.769 533 HA GLU 73 HA GLU 73 5.088 -10.032 -8.223 534 1HB GLU 73 2HB GLU 73 6.787 -10.384 -9.975 535 2HB GLU 73 1HB GLU 73 7.993 -9.616 -8.968 536 1HG GLU 73 2HG GLU 73 6.596 -12.230 -8.335 537 2HG GLU 73 1HG GLU 73 8.163 -12.046 -9.120 538 H ASP 74 H ASP 74 7.780 -7.778 -7.385 539 HA ASP 74 HA ASP 74 7.882 -8.926 -4.774 540 1HB ASP 74 2HB ASP 74 9.915 -8.237 -6.026 541 2HB ASP 74 1HB ASP 74 9.421 -6.564 -5.812 542 H VAL 75 H VAL 75 6.016 -6.555 -6.103 543 HA VAL 75 HA VAL 75 5.760 -4.932 -3.720 544 HB VAL 75 HB VAL 75 3.671 -5.258 -5.912 545 1HG1 VAL 75 1HG1 VAL 75 3.139 -2.935 -5.429 546 2HG1 VAL 75 2HG1 VAL 75 4.377 -2.907 -4.194 547 3HG1 VAL 75 3HG1 VAL 75 2.956 -3.953 -3.991 548 1HG2 VAL 75 1HG2 VAL 75 6.043 -3.411 -6.015 549 2HG2 VAL 75 2HG2 VAL 75 4.672 -3.417 -7.132 550 3HG2 VAL 75 3HG2 VAL 75 5.749 -4.811 -7.055 551 H SER 76 H SER 76 5.220 -6.042 -1.931 552 HA SER 76 HA SER 76 2.960 -7.857 -1.942 553 1HB SER 76 2HB SER 76 4.911 -9.165 -2.773 554 2HB SER 76 1HB SER 76 5.796 -8.717 -1.324 555 HG SER 76 HG SER 76 3.996 -10.661 -1.753 556 HA PRO 77 HA PRO 77 2.717 -6.263 2.253 557 1HB PRO 77 2HB PRO 77 1.300 -8.225 3.459 558 2HB PRO 77 1HB PRO 77 0.587 -7.101 2.298 559 1HG PRO 77 2HG PRO 77 1.563 -9.893 1.875 560 2HG PRO 77 1HG PRO 77 0.067 -9.137 1.299 561 1HD PRO 77 2HD PRO 77 2.225 -9.442 -0.290 562 2HD PRO 77 1HD PRO 77 1.138 -8.047 -0.431 563 H SER 78 H SER 78 4.584 -8.916 1.554 564 HA SER 78 HA SER 78 5.197 -9.974 4.176 565 1HB SER 78 2HB SER 78 5.660 -11.328 2.214 566 2HB SER 78 1HB SER 78 6.739 -10.052 1.620 567 HG SER 78 HG SER 78 7.436 -12.061 3.197 568 H LEU 79 H LEU 79 5.982 -9.208 5.730 569 HA LEU 79 HA LEU 79 8.304 -7.550 5.277 570 1HB LEU 79 2HB LEU 79 6.742 -7.752 7.857 571 2HB LEU 79 1HB LEU 79 8.128 -6.757 7.484 572 HG LEU 79 HG LEU 79 5.288 -6.407 6.620 573 1HD1 LEU 79 1HD1 LEU 79 7.262 -4.511 7.864 574 2HD1 LEU 79 2HD1 LEU 79 5.963 -5.346 8.715 575 3HD1 LEU 79 3HD1 LEU 79 5.589 -4.148 7.472 576 1HD2 LEU 79 1HD2 LEU 79 6.573 -6.164 4.587 577 2HD2 LEU 79 2HD2 LEU 79 7.687 -5.067 5.425 578 3HD2 LEU 79 3HD2 LEU 79 5.996 -4.606 5.195 579 H GLU 80 H GLU 80 7.544 -10.511 5.554 580 HA GLU 80 HA GLU 80 9.291 -11.322 7.725 581 1HB GLU 80 2HB GLU 80 8.311 -13.594 7.305 582 2HB GLU 80 1HB GLU 80 7.160 -12.367 7.795 583 1HG GLU 80 2HG GLU 80 5.992 -13.427 6.092 584 2HG GLU 80 1HG GLU 80 6.803 -12.073 5.284 585 H GLY 81 H GLY 81 9.356 -10.885 4.429 586 1HA GLY 81 2HA GLY 81 11.730 -12.589 4.151 587 2HA GLY 81 1HA GLY 81 10.783 -11.934 2.811 588 H LEU 82 H LEU 82 11.933 -10.340 5.724 589 HA LEU 82 HA LEU 82 13.730 -8.618 4.201 590 1HB LEU 82 2HB LEU 82 11.501 -7.681 5.992 591 2HB LEU 82 1HB LEU 82 12.735 -6.663 5.293 592 HG LEU 82 HG LEU 82 10.680 -8.164 3.656 593 1HD1 LEU 82 1HD1 LEU 82 10.771 -5.273 4.478 594 2HD1 LEU 82 2HD1 LEU 82 9.796 -6.506 5.254 595 3HD1 LEU 82 3HD1 LEU 82 9.475 -6.090 3.564 596 1HD2 LEU 82 1HD2 LEU 82 12.805 -7.494 2.528 597 2HD2 LEU 82 2HD2 LEU 82 12.426 -5.817 2.999 598 3HD2 LEU 82 3HD2 LEU 82 11.377 -6.672 1.894 599 H THR 83 H THR 83 15.544 -8.489 5.389 600 HA THR 83 HA THR 83 15.417 -8.972 8.255 601 HB THR 83 HB THR 83 17.254 -10.063 6.895 602 HG1 THR 83 1HG THR 83 17.885 -9.934 8.885 603 1HG2 THR 83 1HG2 THR 83 17.643 -8.232 5.294 604 2HG2 THR 83 2HG2 THR 83 19.136 -8.695 6.116 605 3HG2 THR 83 3HG2 THR 83 18.267 -7.243 6.612 606 H GLU 84 H GLU 84 17.398 -7.227 9.184 607 HA GLU 84 HA GLU 84 15.792 -4.991 9.663 608 1HB GLU 84 2HB GLU 84 18.731 -5.302 10.153 609 2HB GLU 84 1HB GLU 84 17.761 -3.961 10.744 610 1HG GLU 84 2HG GLU 84 16.369 -5.487 11.958 611 2HG GLU 84 1HG GLU 84 17.333 -6.856 11.396 612 H LYS 85 H LYS 85 18.597 -5.151 7.501 613 HA LYS 85 HA LYS 85 18.711 -2.420 6.786 614 1HB LYS 85 2HB LYS 85 19.958 -3.147 4.830 615 2HB LYS 85 1HB LYS 85 20.404 -4.197 6.176 616 1HG LYS 85 2HG LYS 85 18.683 -5.789 5.365 617 2HG LYS 85 1HG LYS 85 18.470 -4.767 3.985 618 1HD LYS 85 2HD LYS 85 19.803 -6.562 3.397 619 2HD LYS 85 1HD LYS 85 20.797 -5.099 3.297 620 1HE LYS 85 2HE LYS 85 21.761 -5.632 5.523 621 2HE LYS 85 1HE LYS 85 20.809 -7.112 5.574 622 1HZ LYS 85 1HZ LYS 85 23.036 -7.580 4.935 623 2HZ LYS 85 2HZ LYS 85 23.011 -6.449 3.710 624 3HZ LYS 85 3HZ LYS 85 22.067 -7.860 3.579 625 H GLU 86 H GLU 86 16.703 -5.038 5.683 626 HA GLU 86 HA GLU 86 15.669 -3.805 3.358 627 1HB GLU 86 2HB GLU 86 15.011 -6.235 4.959 628 2HB GLU 86 1HB GLU 86 14.206 -5.845 3.469 629 1HG GLU 86 2HG GLU 86 16.419 -5.987 2.318 630 2HG GLU 86 1HG GLU 86 17.136 -6.447 3.859 631 H ILE 87 H ILE 87 14.475 -4.777 6.507 632 HA ILE 87 HA ILE 87 11.955 -3.660 6.276 633 HB ILE 87 HB ILE 87 13.624 -4.194 8.711 634 1HG1 ILE 87 2HG1 ILE 87 11.298 -5.676 7.496 635 2HG1 ILE 87 1HG1 ILE 87 12.971 -6.206 7.524 636 1HG2 ILE 87 1HG2 ILE 87 12.016 -2.459 9.185 637 2HG2 ILE 87 2HG2 ILE 87 11.499 -3.992 9.955 638 3HG2 ILE 87 3HG2 ILE 87 10.779 -3.455 8.414 639 1HD1 ILE 87 1HD1 ILE 87 11.242 -5.747 9.936 640 2HD1 ILE 87 2HD1 ILE 87 12.894 -6.349 9.965 641 3HD1 ILE 87 3HD1 ILE 87 11.603 -7.338 9.252 642 H ASN 88 H ASN 88 14.956 -2.274 7.659 643 HA ASN 88 HA ASN 88 13.799 0.104 8.571 644 1HB ASN 88 2HB ASN 88 16.588 -0.523 7.781 645 2HB ASN 88 1HB ASN 88 16.136 1.150 8.086 646 1HD2 ASN 88 1HD2 ASN 88 16.716 -1.968 9.453 647 2HD2 ASN 88 2HD2 ASN 88 16.637 -1.522 11.116 648 H THR 89 H THR 89 14.822 -0.670 5.376 649 HA THR 89 HA THR 89 14.808 1.923 4.320 650 HB THR 89 HB THR 89 14.130 -0.711 2.988 651 HG1 THR 89 1HG THR 89 16.215 -0.824 3.852 652 1HG2 THR 89 1HG2 THR 89 15.070 1.903 1.886 653 2HG2 THR 89 2HG2 THR 89 13.439 1.202 1.727 654 3HG2 THR 89 3HG2 THR 89 14.819 0.417 0.936 655 H LEU 90 H LEU 90 12.296 -0.552 4.491 656 HA LEU 90 HA LEU 90 10.170 1.002 3.421 657 1HB LEU 90 2HB LEU 90 9.562 -1.029 3.131 658 2HB LEU 90 1HB LEU 90 10.636 -1.695 4.305 659 HG LEU 90 HG LEU 90 8.755 -0.718 5.928 660 1HD1 LEU 90 1HD1 LEU 90 7.408 0.304 4.301 661 2HD1 LEU 90 2HD1 LEU 90 6.539 -1.016 5.080 662 3HD1 LEU 90 3HD1 LEU 90 7.197 -1.232 3.458 663 1HD2 LEU 90 1HD2 LEU 90 8.566 -3.292 4.437 664 2HD2 LEU 90 2HD2 LEU 90 7.741 -2.925 5.964 665 3HD2 LEU 90 3HD2 LEU 90 9.509 -2.996 5.897 666 H ASN 91 H ASN 91 11.175 0.085 6.664 667 HA ASN 91 HA ASN 91 9.141 0.992 8.266 668 1HB ASN 91 2HB ASN 91 11.369 -0.168 8.841 669 2HB ASN 91 1HB ASN 91 12.057 1.444 8.887 670 1HD2 ASN 91 1HD2 ASN 91 10.008 -0.816 10.357 671 2HD2 ASN 91 2HD2 ASN 91 9.821 -0.129 11.904 672 H ASP 92 H ASP 92 11.779 2.809 6.815 673 HA ASP 92 HA ASP 92 11.153 5.383 7.800 674 1HB ASP 92 2HB ASP 92 13.325 4.840 6.805 675 2HB ASP 92 1HB ASP 92 12.554 4.481 5.273 676 H TRP 93 H TRP 93 10.367 3.724 4.762 677 HA TRP 93 HA TRP 93 8.772 5.649 3.498 678 1HB TRP 93 2HB TRP 93 8.993 2.724 3.316 679 2HB TRP 93 1HB TRP 93 7.745 3.523 2.404 680 HD1 TRP 93 HD TRP 93 10.978 2.145 1.859 681 HE1 TRP 93 1HE TRP 93 12.248 3.238 -0.071 682 HE3 TRP 93 3HE TRP 93 8.229 6.440 1.460 683 HZ2 TRP 93 2HZ TRP 93 12.125 5.662 -1.552 684 HZ3 TRP 93 3HZ TRP 93 8.874 8.092 -0.229 685 HH2 TRP 93 HH TRP 93 10.782 7.711 -1.706 686 H GLU 94 H GLU 94 7.787 3.186 5.737 687 HA GLU 94 HA GLU 94 5.027 3.228 5.557 688 1HB GLU 94 2HB GLU 94 6.606 3.302 8.126 689 2HB GLU 94 1HB GLU 94 4.992 2.654 7.911 690 1HG GLU 94 2HG GLU 94 5.833 0.874 6.560 691 2HG GLU 94 1HG GLU 94 7.467 1.526 6.602 692 H THR 95 H THR 95 6.966 5.140 7.604 693 HA THR 95 HA THR 95 5.216 6.900 8.802 694 HB THR 95 HB THR 95 8.050 7.402 7.980 695 HG1 THR 95 1HG THR 95 8.437 5.732 9.319 696 1HG2 THR 95 1HG2 THR 95 8.118 8.738 10.075 697 2HG2 THR 95 2HG2 THR 95 6.404 8.406 10.327 698 3HG2 THR 95 3HG2 THR 95 6.925 9.361 8.936 699 H LYS 96 H LYS 96 6.564 7.021 5.563 700 HA LYS 96 HA LYS 96 6.371 9.874 5.281 701 1HB LYS 96 2HB LYS 96 6.823 7.715 3.213 702 2HB LYS 96 1HB LYS 96 7.138 9.437 3.008 703 1HG LYS 96 2HG LYS 96 8.476 7.700 5.044 704 2HG LYS 96 1HG LYS 96 9.229 8.047 3.520 705 1HD LYS 96 2HD LYS 96 9.085 10.476 4.129 706 2HD LYS 96 1HD LYS 96 8.473 9.976 5.708 707 1HE LYS 96 2HE LYS 96 10.529 8.692 6.087 708 2HE LYS 96 1HE LYS 96 11.134 9.204 4.517 709 1HZ LYS 96 1HZ LYS 96 12.065 10.551 6.255 710 2HZ LYS 96 2HZ LYS 96 10.533 10.956 6.825 711 3HZ LYS 96 3HZ LYS 96 11.042 11.513 5.313 712 H PHE 97 H PHE 97 4.645 7.048 4.437 713 HA PHE 97 HA PHE 97 2.573 8.424 3.029 714 1HB PHE 97 2HB PHE 97 3.006 5.633 3.974 715 2HB PHE 97 1HB PHE 97 1.519 6.105 3.194 716 HD1 PHE 97 1HD PHE 97 5.220 6.101 2.665 717 HD2 PHE 97 2HD PHE 97 1.371 5.921 0.879 718 HE1 PHE 97 1HE PHE 97 6.262 5.617 0.487 719 HE2 PHE 97 2HE PHE 97 2.398 5.444 -1.293 720 HZ PHE 97 HZ PHE 97 4.848 5.290 -1.499 721 H GLU 98 H GLU 98 2.984 6.707 6.087 722 HA GLU 98 HA GLU 98 0.452 6.938 7.142 723 1HB GLU 98 2HB GLU 98 3.138 6.556 8.298 724 2HB GLU 98 1HB GLU 98 1.846 6.686 9.436 725 1HG GLU 98 2HG GLU 98 0.747 4.774 8.178 726 2HG GLU 98 1HG GLU 98 2.246 4.640 7.261 727 H ALA 99 H ALA 99 2.726 9.496 6.839 728 HA ALA 99 HA ALA 99 1.390 10.996 8.965 729 1HB ALA 99 1HB ALA 99 3.208 12.586 8.780 730 2HB ALA 99 2HB ALA 99 3.855 11.709 7.393 731 3HB ALA 99 3HB ALA 99 3.836 10.949 8.983 732 H LYS 100 H LYS 100 1.234 10.596 5.600 733 HA LYS 100 HA LYS 100 0.228 13.327 5.285 734 1HB LYS 100 2HB LYS 100 1.762 11.562 3.468 735 2HB LYS 100 1HB LYS 100 0.638 12.685 2.755 736 1HG LYS 100 2HG LYS 100 2.862 13.606 2.748 737 2HG LYS 100 1HG LYS 100 1.842 14.534 3.832 738 1HD LYS 100 2HD LYS 100 2.839 13.411 5.747 739 2HD LYS 100 1HD LYS 100 3.825 12.415 4.668 740 1HE LYS 100 2HE LYS 100 4.824 14.398 3.750 741 2HE LYS 100 1HE LYS 100 3.894 15.422 4.837 742 1HZ LYS 100 1HZ LYS 100 5.922 13.407 5.668 743 2HZ LYS 100 2HZ LYS 100 5.073 14.435 6.726 744 3HZ LYS 100 3HZ LYS 100 6.148 15.061 5.602 745 H TYR 101 H TYR 101 -0.447 9.949 4.741 746 HA TYR 101 HA TYR 101 -2.924 10.735 3.418 747 1HB TYR 101 2HB TYR 101 -1.452 8.113 3.285 748 2HB TYR 101 1HB TYR 101 -2.862 8.595 2.348 749 HD1 TYR 101 1HD TYR 101 -2.574 10.645 0.770 750 HD2 TYR 101 2HD TYR 101 0.657 8.493 2.481 751 HE1 TYR 101 1HE TYR 101 -1.063 11.544 -0.961 752 HE2 TYR 101 2HE TYR 101 2.173 9.379 0.773 753 HH TYR 101 HH TYR 101 1.983 10.205 -1.455 754 HA PRO 102 HA PRO 102 -5.008 9.040 6.938 755 1HB PRO 102 2HB PRO 102 -7.496 9.095 6.016 756 2HB PRO 102 1HB PRO 102 -6.599 10.602 6.291 757 1HG PRO 102 2HG PRO 102 -7.049 9.099 3.739 758 2HG PRO 102 1HG PRO 102 -7.238 10.833 4.045 759 1HD PRO 102 2HD PRO 102 -4.997 9.786 2.904 760 2HD PRO 102 1HD PRO 102 -4.987 11.225 3.951 761 H VAL 103 H VAL 103 -5.614 7.113 7.652 762 HA VAL 103 HA VAL 103 -5.553 4.846 5.852 763 HB VAL 103 HB VAL 103 -6.123 4.853 8.829 764 1HG1 VAL 103 1HG1 VAL 103 -5.320 2.631 6.962 765 2HG1 VAL 103 2HG1 VAL 103 -6.887 2.823 7.753 766 3HG1 VAL 103 3HG1 VAL 103 -5.443 2.490 8.712 767 1HG2 VAL 103 1HG2 VAL 103 -3.521 4.380 7.392 768 2HG2 VAL 103 2HG2 VAL 103 -3.779 4.204 9.122 769 3HG2 VAL 103 3HG2 VAL 103 -3.914 5.798 8.364 770 H VAL 104 H VAL 104 -7.252 4.304 4.788 771 HA VAL 104 HA VAL 104 -9.899 4.898 5.951 772 HB VAL 104 HB VAL 104 -10.795 4.876 3.628 773 1HG1 VAL 104 1HG1 VAL 104 -10.205 6.986 4.722 774 2HG1 VAL 104 2HG1 VAL 104 -9.854 7.064 2.996 775 3HG1 VAL 104 3HG1 VAL 104 -8.544 6.825 4.152 776 1HG2 VAL 104 1HG2 VAL 104 -9.231 5.044 1.775 777 2HG2 VAL 104 2HG2 VAL 104 -9.066 3.485 2.593 778 3HG2 VAL 104 3HG2 VAL 104 -7.881 4.767 2.870 779 H GLY 105 H GLY 105 -8.030 2.317 5.788 780 1HA GLY 105 2HA GLY 105 -9.884 0.493 6.495 781 2HA GLY 105 1HA GLY 105 -9.900 0.374 4.745 782 H ARG 106 H ARG 106 -9.089 -1.746 4.852 783 HA ARG 106 HA ARG 106 -6.207 -1.840 5.444 784 1HB ARG 106 2HB ARG 106 -6.374 -4.083 6.314 785 2HB ARG 106 1HB ARG 106 -7.308 -3.041 7.326 786 1HG ARG 106 2HG ARG 106 -9.333 -3.842 6.485 787 2HG ARG 106 1HG ARG 106 -8.503 -4.721 5.190 788 1HD ARG 106 2HD ARG 106 -9.102 -6.189 7.043 789 2HD ARG 106 1HD ARG 106 -7.354 -6.043 6.744 790 HE ARG 106 HE ARG 106 -8.563 -4.348 8.788 791 1HH1 ARG 106 1HH1 ARG 106 -6.473 -7.147 8.114 792 2HH1 ARG 106 2HH1 ARG 106 -5.912 -7.263 9.704 793 1HH2 ARG 106 1HH2 ARG 106 -7.742 -4.510 10.944 794 2HH2 ARG 106 2HH2 ARG 106 -6.618 -5.729 11.347 795 H VAL 107 H VAL 107 -5.143 -3.549 4.410 796 HA VAL 107 HA VAL 107 -6.719 -4.708 2.285 797 HB VAL 107 HB VAL 107 -4.764 -3.334 1.466 798 1HG1 VAL 107 1HG1 VAL 107 -2.567 -4.248 1.653 799 2HG1 VAL 107 2HG1 VAL 107 -3.183 -5.488 2.767 800 3HG1 VAL 107 3HG1 VAL 107 -3.251 -3.757 3.208 801 1HG2 VAL 107 1HG2 VAL 107 -4.716 -6.253 0.975 802 2HG2 VAL 107 2HG2 VAL 107 -3.988 -5.042 -0.110 803 3HG2 VAL 107 3HG2 VAL 107 -5.751 -5.095 0.154 804 H VAL 108 H VAL 108 -6.829 -6.759 2.200 805 HA VAL 108 HA VAL 108 -5.440 -8.354 4.199 806 HB VAL 108 HB VAL 108 -7.526 -9.862 4.076 807 1HG1 VAL 108 1HG1 VAL 108 -7.935 -7.004 4.596 808 2HG1 VAL 108 2HG1 VAL 108 -7.119 -8.078 5.771 809 3HG1 VAL 108 3HG1 VAL 108 -8.876 -8.269 5.364 810 1HG2 VAL 108 1HG2 VAL 108 -8.546 -7.427 2.812 811 2HG2 VAL 108 2HG2 VAL 108 -9.524 -8.814 3.258 812 3HG2 VAL 108 3HG2 VAL 108 -8.355 -8.935 1.890 813 H SER 109 H SER 109 -4.717 -10.404 3.465 814 HA SER 109 HA SER 109 -4.674 -10.639 0.596 815 1HB SER 109 2HB SER 109 -2.966 -9.029 1.093 816 2HB SER 109 1HB SER 109 -2.259 -10.099 2.295 817 HG SER 109 HG SER 109 -1.053 -10.469 0.492 Start of MODEL 14 1 1H MET 1 1HT MET 1 -17.943 -6.605 -6.702 2 2H MET 1 2HT MET 1 -16.959 -6.478 -5.332 3 3H MET 1 3HT MET 1 -17.312 -5.118 -6.230 4 HA MET 1 HA MET 1 -19.555 -5.163 -5.654 5 1HB MET 1 2HB MET 1 -20.383 -6.799 -3.933 6 2HB MET 1 1HB MET 1 -19.972 -7.535 -5.465 7 1HG MET 1 2HG MET 1 -19.254 -8.983 -3.711 8 2HG MET 1 1HG MET 1 -17.824 -8.294 -4.461 9 1HE MET 1 1HE MET 1 -16.317 -9.083 -2.440 10 2HE MET 1 2HE MET 1 -17.732 -9.830 -1.698 11 3HE MET 1 3HE MET 1 -16.698 -8.760 -0.750 12 H GLY 2 H GLY 2 -20.374 -4.359 -3.533 13 1HA GLY 2 2HA GLY 2 -20.092 -3.260 -1.539 14 2HA GLY 2 1HA GLY 2 -18.456 -3.899 -1.453 15 H HIS 3 H HIS 3 -20.454 -1.452 -2.974 16 HA HIS 3 HA HIS 3 -18.168 0.069 -3.891 17 1HB HIS 3 2HB HIS 3 -21.087 0.875 -3.809 18 2HB HIS 3 1HB HIS 3 -19.806 1.725 -4.655 19 HD1 HIS 3 1HD HIS 3 -22.484 -0.528 -5.269 20 HD2 HIS 3 2HD HIS 3 -18.617 -0.148 -6.722 21 HE1 HIS 3 1HE HIS 3 -22.479 -1.716 -7.461 22 HE2 HIS 3 2HE HIS 3 -20.233 -1.174 -8.438 23 H HIS 4 H HIS 4 -17.017 0.647 -2.074 24 HA HIS 4 HA HIS 4 -16.368 1.885 -0.323 25 1HB HIS 4 2HB HIS 4 -16.838 3.819 -1.627 26 2HB HIS 4 1HB HIS 4 -18.567 3.675 -1.362 27 HD1 HIS 4 1HD HIS 4 -15.475 4.253 0.909 28 HD2 HIS 4 2HD HIS 4 -19.406 5.525 0.375 29 HE1 HIS 4 1HE HIS 4 -15.843 6.029 2.595 30 HE2 HIS 4 2HE HIS 4 -18.291 6.571 2.441 31 H HIS 5 H HIS 5 -16.504 0.813 1.427 32 HA HIS 5 HA HIS 5 -19.077 0.570 2.809 33 1HB HIS 5 2HB HIS 5 -16.399 -0.737 3.361 34 2HB HIS 5 1HB HIS 5 -17.787 -0.909 4.420 35 HD1 HIS 5 1HD HIS 5 -16.218 -2.289 1.402 36 HD2 HIS 5 2HD HIS 5 -19.952 -2.411 3.214 37 HE1 HIS 5 1HE HIS 5 -17.389 -4.224 0.378 38 HE2 HIS 5 2HE HIS 5 -19.462 -4.472 1.734 39 H HIS 6 H HIS 6 -18.820 0.813 5.329 40 HA HIS 6 HA HIS 6 -16.857 2.614 6.166 41 1HB HIS 6 2HB HIS 6 -18.361 4.551 6.762 42 2HB HIS 6 1HB HIS 6 -18.005 4.364 5.055 43 HD1 HIS 6 1HD HIS 6 -20.791 4.661 7.438 44 HD2 HIS 6 2HD HIS 6 -20.249 3.355 3.537 45 HE1 HIS 6 1HE HIS 6 -23.074 4.609 6.430 46 HE2 HIS 6 2HE HIS 6 -22.712 3.440 4.229 47 H HIS 7 H HIS 7 -16.412 1.386 7.755 48 HA HIS 7 HA HIS 7 -18.249 1.458 10.022 49 1HB HIS 7 2HB HIS 7 -18.239 -0.871 9.046 50 2HB HIS 7 1HB HIS 7 -16.496 -0.913 9.214 51 HD1 HIS 7 1HD HIS 7 -19.617 -1.579 11.000 52 HD2 HIS 7 2HD HIS 7 -15.624 -1.082 11.985 53 HE1 HIS 7 1HE HIS 7 -19.364 -2.523 13.311 54 HE2 HIS 7 2HE HIS 7 -17.068 -1.832 13.976 55 H HIS 8 H HIS 8 -17.063 3.338 10.427 56 HA HIS 8 HA HIS 8 -15.480 4.692 11.260 57 1HB HIS 8 2HB HIS 8 -13.983 2.141 11.961 58 2HB HIS 8 1HB HIS 8 -13.355 3.737 12.327 59 HD1 HIS 8 1HD HIS 8 -14.961 1.089 13.924 60 HD2 HIS 8 2HD HIS 8 -15.518 5.187 13.944 61 HE1 HIS 8 1HE HIS 8 -16.133 1.578 16.051 62 HE2 HIS 8 2HE HIS 8 -16.025 4.054 16.207 63 H LEU 9 H LEU 9 -14.042 2.064 9.516 64 HA LEU 9 HA LEU 9 -12.941 3.878 7.523 65 1HB LEU 9 2HB LEU 9 -11.482 1.565 8.849 66 2HB LEU 9 1HB LEU 9 -10.902 2.445 7.451 67 HG LEU 9 HG LEU 9 -11.244 3.576 10.235 68 1HD1 LEU 9 1HD1 LEU 9 -9.395 1.997 10.093 69 2HD1 LEU 9 2HD1 LEU 9 -8.802 3.646 10.267 70 3HD1 LEU 9 3HD1 LEU 9 -8.760 2.855 8.688 71 1HD2 LEU 9 1HD2 LEU 9 -11.603 5.284 8.530 72 2HD2 LEU 9 2HD2 LEU 9 -10.108 4.806 7.726 73 3HD2 LEU 9 3HD2 LEU 9 -10.044 5.536 9.326 74 H GLU 10 H GLU 10 -12.139 2.081 5.667 75 HA GLU 10 HA GLU 10 -14.240 0.071 5.737 76 1HB GLU 10 2HB GLU 10 -14.603 0.257 3.331 77 2HB GLU 10 1HB GLU 10 -14.950 1.767 4.146 78 1HG GLU 10 2HG GLU 10 -12.839 2.673 3.351 79 2HG GLU 10 1HG GLU 10 -12.468 1.129 2.578 80 H GLU 11 H GLU 11 -13.861 -1.906 4.599 81 HA GLU 11 HA GLU 11 -11.069 -2.511 4.601 82 1HB GLU 11 2HB GLU 11 -12.403 -3.886 6.038 83 2HB GLU 11 1HB GLU 11 -13.561 -4.176 4.736 84 1HG GLU 11 2HG GLU 11 -12.029 -5.469 3.649 85 2HG GLU 11 1HG GLU 11 -10.702 -5.032 4.624 86 H PHE 12 H PHE 12 -10.110 -3.363 2.900 87 HA PHE 12 HA PHE 12 -11.605 -3.477 0.387 88 1HB PHE 12 2HB PHE 12 -8.744 -2.702 0.912 89 2HB PHE 12 1HB PHE 12 -9.517 -3.023 -0.620 90 HD1 PHE 12 1HD PHE 12 -9.216 -0.670 2.175 91 HD2 PHE 12 2HD PHE 12 -11.037 -1.380 -1.605 92 HE1 PHE 12 1HE PHE 12 -9.871 1.693 2.053 93 HE2 PHE 12 2HE PHE 12 -11.694 0.984 -1.736 94 HZ PHE 12 HZ PHE 12 -11.110 2.526 0.094 95 H THR 13 H THR 13 -11.379 -5.415 -0.631 96 HA THR 13 HA THR 13 -9.683 -7.372 0.658 97 HB THR 13 HB THR 13 -11.293 -7.706 -1.863 98 HG1 THR 13 1HG THR 13 -12.452 -8.544 0.515 99 1HG2 THR 13 1HG2 THR 13 -11.395 -10.023 -1.096 100 2HG2 THR 13 2HG2 THR 13 -10.405 -9.552 0.322 101 3HG2 THR 13 3HG2 THR 13 -9.740 -9.425 -1.303 102 H ALA 14 H ALA 14 -8.007 -8.460 -0.555 103 HA ALA 14 HA ALA 14 -6.198 -6.814 -1.881 104 1HB ALA 14 1HB ALA 14 -6.393 -9.810 -2.162 105 2HB ALA 14 2HB ALA 14 -5.582 -8.956 -0.848 106 3HB ALA 14 3HB ALA 14 -4.970 -8.826 -2.497 107 H GLU 15 H GLU 15 -8.458 -9.098 -3.334 108 HA GLU 15 HA GLU 15 -7.805 -8.724 -6.029 109 1HB GLU 15 2HB GLU 15 -10.448 -9.410 -4.754 110 2HB GLU 15 1HB GLU 15 -10.075 -9.619 -6.455 111 1HG GLU 15 2HG GLU 15 -8.361 -11.243 -5.903 112 2HG GLU 15 1HG GLU 15 -8.660 -10.992 -4.184 113 H GLN 16 H GLN 16 -9.960 -7.011 -3.913 114 HA GLN 16 HA GLN 16 -11.027 -5.322 -5.952 115 1HB GLN 16 2HB GLN 16 -11.307 -5.380 -2.965 116 2HB GLN 16 1HB GLN 16 -11.938 -4.029 -3.879 117 1HG GLN 16 2HG GLN 16 -13.700 -5.646 -3.392 118 2HG GLN 16 1HG GLN 16 -13.405 -5.552 -5.117 119 1HE2 GLN 16 1HE2 GLN 16 -13.182 -7.544 -2.274 120 2HE2 GLN 16 2HE2 GLN 16 -12.865 -9.005 -3.123 121 H LEU 17 H LEU 17 -8.633 -4.957 -3.413 122 HA LEU 17 HA LEU 17 -8.172 -2.219 -3.484 123 1HB LEU 17 2HB LEU 17 -7.344 -4.030 -1.854 124 2HB LEU 17 1HB LEU 17 -6.069 -4.336 -3.000 125 HG LEU 17 HG LEU 17 -5.187 -3.015 -1.188 126 1HD1 LEU 17 1HD1 LEU 17 -4.334 -1.066 -2.200 127 2HD1 LEU 17 2HD1 LEU 17 -5.481 -1.259 -3.530 128 3HD1 LEU 17 3HD1 LEU 17 -4.229 -2.479 -3.256 129 1HD2 LEU 17 1HD2 LEU 17 -6.020 -0.806 -0.615 130 2HD2 LEU 17 2HD2 LEU 17 -7.190 -2.081 -0.312 131 3HD2 LEU 17 3HD2 LEU 17 -7.375 -1.034 -1.729 132 H SER 18 H SER 18 -6.575 -4.821 -5.345 133 HA SER 18 HA SER 18 -4.753 -3.146 -6.637 134 1HB SER 18 2HB SER 18 -5.778 -5.858 -7.444 135 2HB SER 18 1HB SER 18 -4.366 -5.052 -8.140 136 HG SER 18 HG SER 18 -3.801 -4.830 -5.784 137 H GLN 19 H GLN 19 -8.081 -3.407 -7.190 138 HA GLN 19 HA GLN 19 -7.884 -2.646 -9.964 139 1HB GLN 19 2HB GLN 19 -10.262 -2.881 -8.107 140 2HB GLN 19 1HB GLN 19 -10.384 -2.419 -9.798 141 1HG GLN 19 2HG GLN 19 -9.482 -4.566 -10.483 142 2HG GLN 19 1HG GLN 19 -9.255 -5.028 -8.800 143 1HE2 GLN 19 1HE2 GLN 19 -11.004 -5.634 -7.606 144 2HE2 GLN 19 2HE2 GLN 19 -12.557 -5.970 -8.290 145 H TYR 20 H TYR 20 -7.773 -1.153 -6.935 146 HA TYR 20 HA TYR 20 -8.753 1.409 -7.827 147 1HB TYR 20 2HB TYR 20 -7.711 0.430 -5.169 148 2HB TYR 20 1HB TYR 20 -8.129 2.110 -5.482 149 HD1 TYR 20 1HD TYR 20 -10.436 2.771 -5.816 150 HD2 TYR 20 2HD TYR 20 -9.452 -1.257 -4.945 151 HE1 TYR 20 1HE TYR 20 -12.796 2.321 -5.295 152 HE2 TYR 20 2HE TYR 20 -11.807 -1.727 -4.418 153 HH TYR 20 HH TYR 20 -13.816 -0.531 -3.742 154 H ASN 21 H ASN 21 -6.285 0.148 -8.913 155 HA ASN 21 HA ASN 21 -4.121 1.796 -8.020 156 1HB ASN 21 2HB ASN 21 -2.816 0.911 -9.895 157 2HB ASN 21 1HB ASN 21 -3.673 -0.398 -9.093 158 1HD2 ASN 21 1HD2 ASN 21 -5.268 -1.520 -10.242 159 2HD2 ASN 21 2HD2 ASN 21 -5.486 -1.266 -11.935 160 H GLY 22 H GLY 22 -6.715 2.276 -10.121 161 1HA GLY 22 2HA GLY 22 -7.275 4.586 -10.556 162 2HA GLY 22 1HA GLY 22 -5.574 4.882 -10.938 163 H THR 23 H THR 23 -5.227 2.572 -12.493 164 HA THR 23 HA THR 23 -5.982 3.502 -15.008 165 HB THR 23 HB THR 23 -5.040 0.837 -14.040 166 HG1 THR 23 1HG THR 23 -3.821 3.255 -14.673 167 1HG2 THR 23 1HG2 THR 23 -4.957 2.011 -16.821 168 2HG2 THR 23 2HG2 THR 23 -5.949 0.652 -16.274 169 3HG2 THR 23 3HG2 THR 23 -4.188 0.490 -16.336 170 H ASP 24 H ASP 24 -7.637 1.368 -12.734 171 HA ASP 24 HA ASP 24 -9.222 0.118 -14.785 172 1HB ASP 24 2HB ASP 24 -8.297 -1.073 -12.821 173 2HB ASP 24 1HB ASP 24 -9.314 -0.106 -11.789 174 H GLU 25 H GLU 25 -10.531 1.739 -15.598 175 HA GLU 25 HA GLU 25 -12.382 3.081 -15.791 176 1HB GLU 25 2HB GLU 25 -13.213 1.788 -13.205 177 2HB GLU 25 1HB GLU 25 -14.262 2.654 -14.315 178 1HG GLU 25 2HG GLU 25 -13.959 0.931 -15.977 179 2HG GLU 25 1HG GLU 25 -12.809 0.101 -14.921 180 H SER 26 H SER 26 -10.081 3.991 -14.186 181 HA SER 26 HA SER 26 -9.381 5.577 -12.825 182 1HB SER 26 2HB SER 26 -10.538 7.822 -12.909 183 2HB SER 26 1HB SER 26 -10.223 7.125 -14.495 184 HG SER 26 HG SER 26 -12.530 6.247 -13.708 185 H LYS 27 H LYS 27 -9.728 4.054 -11.236 186 HA LYS 27 HA LYS 27 -11.740 4.482 -9.168 187 1HB LYS 27 2HB LYS 27 -9.156 2.941 -9.164 188 2HB LYS 27 1HB LYS 27 -10.343 2.914 -7.873 189 1HG LYS 27 2HG LYS 27 -10.897 2.037 -10.679 190 2HG LYS 27 1HG LYS 27 -10.323 0.955 -9.418 191 1HD LYS 27 2HD LYS 27 -12.319 1.470 -8.097 192 2HD LYS 27 1HD LYS 27 -12.886 2.537 -9.387 193 1HE LYS 27 2HE LYS 27 -12.154 -0.297 -9.854 194 2HE LYS 27 1HE LYS 27 -13.834 0.132 -9.408 195 1HZ LYS 27 1HZ LYS 27 -13.767 1.545 -11.445 196 2HZ LYS 27 2HZ LYS 27 -13.577 -0.096 -11.796 197 3HZ LYS 27 3HZ LYS 27 -12.239 0.914 -11.796 198 HA PRO 28 HA PRO 28 -9.203 7.322 -6.591 199 1HB PRO 28 2HB PRO 28 -10.175 5.677 -4.314 200 2HB PRO 28 1HB PRO 28 -10.327 7.420 -4.554 201 1HG PRO 28 2HG PRO 28 -12.445 5.812 -4.784 202 2HG PRO 28 1HG PRO 28 -12.232 7.211 -5.853 203 1HD PRO 28 2HD PRO 28 -11.763 4.312 -6.411 204 2HD PRO 28 1HD PRO 28 -12.448 5.568 -7.458 205 H ILE 29 H ILE 29 -7.211 6.993 -5.345 206 HA ILE 29 HA ILE 29 -6.137 4.348 -6.005 207 HB ILE 29 HB ILE 29 -4.501 6.879 -5.556 208 1HG1 ILE 29 2HG1 ILE 29 -4.104 6.723 -8.109 209 2HG1 ILE 29 1HG1 ILE 29 -5.529 5.717 -8.160 210 1HG2 ILE 29 1HG2 ILE 29 -3.776 4.230 -6.766 211 2HG2 ILE 29 2HG2 ILE 29 -3.276 4.830 -5.187 212 3HG2 ILE 29 3HG2 ILE 29 -2.707 5.628 -6.657 213 1HD1 ILE 29 1HD1 ILE 29 -6.047 7.980 -8.749 214 2HD1 ILE 29 2HD1 ILE 29 -5.337 8.549 -7.247 215 3HD1 ILE 29 3HD1 ILE 29 -6.827 7.590 -7.205 216 H TYR 30 H TYR 30 -5.305 3.051 -4.451 217 HA TYR 30 HA TYR 30 -4.894 4.113 -1.730 218 1HB TYR 30 2HB TYR 30 -6.507 1.650 -2.409 219 2HB TYR 30 1HB TYR 30 -6.082 2.203 -0.804 220 HD1 TYR 30 1HD TYR 30 -8.486 2.326 -3.424 221 HD2 TYR 30 2HD TYR 30 -7.049 4.454 -0.044 222 HE1 TYR 30 1HE TYR 30 -10.597 3.573 -3.319 223 HE2 TYR 30 2HE TYR 30 -9.163 5.702 0.069 224 HH TYR 30 HH TYR 30 -10.962 6.340 -1.441 225 H VAL 31 H VAL 31 -3.233 3.363 -0.771 226 HA VAL 31 HA VAL 31 -1.863 1.079 -2.027 227 HB VAL 31 HB VAL 31 0.208 1.879 -1.113 228 1HG1 VAL 31 1HG1 VAL 31 0.547 3.917 -2.348 229 2HG1 VAL 31 2HG1 VAL 31 -1.208 4.067 -2.575 230 3HG1 VAL 31 3HG1 VAL 31 -0.322 2.701 -3.278 231 1HG2 VAL 31 1HG2 VAL 31 -1.319 4.212 -0.039 232 2HG2 VAL 31 2HG2 VAL 31 0.453 4.004 -0.025 233 3HG2 VAL 31 3HG2 VAL 31 -0.575 2.907 0.905 234 H ALA 32 H ALA 32 -0.696 -0.325 -0.499 235 HA ALA 32 HA ALA 32 -1.778 -0.132 2.187 236 1HB ALA 32 1HB ALA 32 -2.094 -2.547 2.237 237 2HB ALA 32 2HB ALA 32 -1.561 -2.666 0.561 238 3HB ALA 32 3HB ALA 32 -3.058 -1.825 0.951 239 H ILE 33 H ILE 33 -0.346 -0.373 3.704 240 HA ILE 33 HA ILE 33 2.242 -1.657 3.092 241 HB ILE 33 HB ILE 33 1.732 0.722 4.945 242 1HG1 ILE 33 2HG1 ILE 33 3.203 0.654 2.322 243 2HG1 ILE 33 1HG1 ILE 33 1.636 1.397 2.565 244 1HG2 ILE 33 1HG2 ILE 33 3.568 -0.592 5.825 245 2HG2 ILE 33 2HG2 ILE 33 4.200 0.892 5.065 246 3HG2 ILE 33 3HG2 ILE 33 4.331 -0.628 4.227 247 1HD1 ILE 33 1HD1 ILE 33 3.384 3.070 2.548 248 2HD1 ILE 33 2HD1 ILE 33 4.226 2.209 3.836 249 3HD1 ILE 33 3HD1 ILE 33 2.669 2.970 4.164 250 H LYS 34 H LYS 34 2.065 -3.557 4.174 251 HA LYS 34 HA LYS 34 1.516 -5.111 5.641 252 1HB LYS 34 2HB LYS 34 2.107 -2.850 7.491 253 2HB LYS 34 1HB LYS 34 1.403 -4.314 8.167 254 1HG LYS 34 2HG LYS 34 3.950 -4.158 6.569 255 2HG LYS 34 1HG LYS 34 3.825 -4.377 8.321 256 1HD LYS 34 2HD LYS 34 2.551 -6.463 7.956 257 2HD LYS 34 1HD LYS 34 2.743 -6.287 6.226 258 1HE LYS 34 2HE LYS 34 5.161 -6.347 6.532 259 2HE LYS 34 1HE LYS 34 4.891 -6.679 8.244 260 1HZ LYS 34 1HZ LYS 34 3.934 -8.324 5.985 261 2HZ LYS 34 2HZ LYS 34 3.618 -8.648 7.600 262 3HZ LYS 34 3HZ LYS 34 5.204 -8.733 7.023 263 H GLY 35 H GLY 35 -0.549 -3.834 4.338 264 1HA GLY 35 2HA GLY 35 -2.748 -4.376 4.278 265 2HA GLY 35 1HA GLY 35 -2.772 -4.754 5.981 266 H ARG 36 H ARG 36 -1.267 -1.921 6.028 267 HA ARG 36 HA ARG 36 -3.605 -0.466 6.799 268 1HB ARG 36 2HB ARG 36 -0.696 0.310 6.544 269 2HB ARG 36 1HB ARG 36 -1.940 1.226 7.394 270 1HG ARG 36 2HG ARG 36 -2.127 -0.378 9.102 271 2HG ARG 36 1HG ARG 36 -1.337 -1.602 8.095 272 1HD ARG 36 2HD ARG 36 0.131 -0.821 9.892 273 2HD ARG 36 1HD ARG 36 0.748 -0.482 8.281 274 HE ARG 36 HE ARG 36 -0.581 1.784 9.133 275 1HH1 ARG 36 1HH1 ARG 36 2.189 -0.178 10.179 276 2HH1 ARG 36 2HH1 ARG 36 3.073 1.124 10.763 277 1HH2 ARG 36 1HH2 ARG 36 0.698 3.620 9.961 278 2HH2 ARG 36 2HH2 ARG 36 2.209 3.302 10.653 279 H VAL 37 H VAL 37 -4.851 0.355 5.262 280 HA VAL 37 HA VAL 37 -3.677 1.001 2.705 281 HB VAL 37 HB VAL 37 -6.578 0.753 3.556 282 1HG1 VAL 37 1HG1 VAL 37 -6.346 2.481 1.825 283 2HG1 VAL 37 2HG1 VAL 37 -7.116 1.027 1.177 284 3HG1 VAL 37 3HG1 VAL 37 -5.406 1.352 0.848 285 1HG2 VAL 37 1HG2 VAL 37 -4.840 -0.886 1.733 286 2HG2 VAL 37 2HG2 VAL 37 -6.551 -1.162 2.053 287 3HG2 VAL 37 3HG2 VAL 37 -5.371 -1.342 3.351 288 H PHE 38 H PHE 38 -3.146 2.877 2.199 289 HA PHE 38 HA PHE 38 -4.212 5.208 3.664 290 1HB PHE 38 2HB PHE 38 -1.746 4.860 2.013 291 2HB PHE 38 1HB PHE 38 -2.205 6.381 2.767 292 HD1 PHE 38 1HD PHE 38 -1.747 6.747 5.097 293 HD2 PHE 38 2HD PHE 38 -0.937 2.967 3.331 294 HE1 PHE 38 1HE PHE 38 -0.422 6.110 7.067 295 HE2 PHE 38 2HE PHE 38 0.381 2.324 5.299 296 HZ PHE 38 HZ PHE 38 0.649 3.897 7.171 297 H ASP 39 H ASP 39 -5.264 6.751 2.497 298 HA ASP 39 HA ASP 39 -5.808 6.217 -0.302 299 1HB ASP 39 2HB ASP 39 -7.666 7.115 0.995 300 2HB ASP 39 1HB ASP 39 -6.706 8.525 1.444 301 H VAL 40 H VAL 40 -4.524 6.809 -1.813 302 HA VAL 40 HA VAL 40 -2.850 9.161 -1.342 303 HB VAL 40 HB VAL 40 -1.269 8.216 -3.032 304 1HG1 VAL 40 1HG1 VAL 40 -0.837 7.920 -0.670 305 2HG1 VAL 40 2HG1 VAL 40 -0.290 6.541 -1.618 306 3HG1 VAL 40 3HG1 VAL 40 -1.782 6.421 -0.668 307 1HG2 VAL 40 1HG2 VAL 40 -2.821 6.776 -4.211 308 2HG2 VAL 40 2HG2 VAL 40 -2.969 5.745 -2.785 309 3HG2 VAL 40 3HG2 VAL 40 -1.424 5.875 -3.633 310 H THR 41 H THR 41 -5.624 8.800 -2.491 311 HA THR 41 HA THR 41 -5.480 9.377 -5.245 312 HB THR 41 HB THR 41 -7.707 10.148 -3.330 313 HG1 THR 41 1HG THR 41 -7.774 8.048 -3.040 314 1HG2 THR 41 1HG2 THR 41 -7.892 11.090 -5.598 315 2HG2 THR 41 2HG2 THR 41 -9.126 9.850 -5.333 316 3HG2 THR 41 3HG2 THR 41 -7.678 9.476 -6.272 317 H THR 42 H THR 42 -5.312 11.282 -2.337 318 HA THR 42 HA THR 42 -5.600 13.821 -3.570 319 HB THR 42 HB THR 42 -6.029 13.543 -1.157 320 HG1 THR 42 1HG THR 42 -4.269 15.261 -0.514 321 1HG2 THR 42 1HG2 THR 42 -4.314 11.867 -0.633 322 2HG2 THR 42 2HG2 THR 42 -4.167 13.258 0.442 323 3HG2 THR 42 3HG2 THR 42 -3.051 13.066 -0.910 324 H GLY 43 H GLY 43 -2.998 11.589 -3.331 325 1HA GLY 43 2HA GLY 43 -1.142 13.601 -4.415 326 2HA GLY 43 1HA GLY 43 -0.635 12.241 -3.412 327 H LYS 44 H LYS 44 -3.044 12.233 -5.926 328 HA LYS 44 HA LYS 44 -2.267 9.808 -7.082 329 1HB LYS 44 2HB LYS 44 -4.487 10.828 -7.358 330 2HB LYS 44 1HB LYS 44 -3.778 12.084 -8.358 331 1HG LYS 44 2HG LYS 44 -3.085 10.331 -9.988 332 2HG LYS 44 1HG LYS 44 -3.909 9.149 -8.986 333 1HD LYS 44 2HD LYS 44 -5.981 10.379 -9.226 334 2HD LYS 44 1HD LYS 44 -5.174 11.541 -10.262 335 1HE LYS 44 2HE LYS 44 -4.648 9.788 -11.889 336 2HE LYS 44 1HE LYS 44 -5.443 8.591 -10.867 337 1HZ LYS 44 1HZ LYS 44 -6.872 9.336 -12.662 338 2HZ LYS 44 2HZ LYS 44 -6.763 10.923 -12.150 339 3HZ LYS 44 3HZ LYS 44 -7.526 9.764 -11.174 340 H SER 45 H SER 45 -1.349 13.050 -7.692 341 HA SER 45 HA SER 45 -0.125 12.971 -10.143 342 1HB SER 45 2HB SER 45 0.789 14.511 -7.712 343 2HB SER 45 1HB SER 45 1.150 14.909 -9.395 344 HG SER 45 HG SER 45 -0.606 16.030 -9.249 345 H PHE 46 H PHE 46 1.018 11.521 -7.194 346 HA PHE 46 HA PHE 46 3.591 10.880 -8.448 347 1HB PHE 46 2HB PHE 46 2.591 10.490 -5.628 348 2HB PHE 46 1HB PHE 46 4.116 9.851 -6.213 349 HD1 PHE 46 1HD PHE 46 5.996 11.277 -6.573 350 HD2 PHE 46 2HD PHE 46 2.269 12.894 -5.335 351 HE1 PHE 46 1HE PHE 46 7.111 13.396 -6.017 352 HE2 PHE 46 2HE PHE 46 3.379 15.018 -4.778 353 HZ PHE 46 HZ PHE 46 5.801 15.267 -5.117 354 H TYR 47 H TYR 47 0.693 9.296 -7.121 355 HA TYR 47 HA TYR 47 1.855 6.768 -7.820 356 1HB TYR 47 2HB TYR 47 -0.806 7.396 -6.546 357 2HB TYR 47 1HB TYR 47 -0.073 5.793 -6.683 358 HD1 TYR 47 1HD TYR 47 1.799 5.165 -5.270 359 HD2 TYR 47 2HD TYR 47 0.110 9.049 -5.025 360 HE1 TYR 47 1HE TYR 47 3.049 5.591 -3.193 361 HE2 TYR 47 2HE TYR 47 1.349 9.471 -2.967 362 HH TYR 47 HH TYR 47 3.888 7.534 -1.943 363 H GLY 48 H GLY 48 -1.473 7.887 -8.419 364 1HA GLY 48 2HA GLY 48 -1.640 6.032 -10.604 365 2HA GLY 48 1HA GLY 48 -2.919 7.093 -10.047 366 H SER 49 H SER 49 -0.466 9.128 -10.490 367 HA SER 49 HA SER 49 -0.840 9.422 -13.379 368 1HB SER 49 2HB SER 49 -2.466 10.747 -12.277 369 2HB SER 49 1HB SER 49 -1.263 11.566 -11.285 370 HG SER 49 HG SER 49 -0.431 11.925 -13.706 371 H GLY 50 H GLY 50 1.261 8.831 -11.087 372 1HA GLY 50 2HA GLY 50 3.284 10.719 -12.077 373 2HA GLY 50 1HA GLY 50 3.367 9.863 -10.538 374 H GLY 51 H GLY 51 2.173 7.578 -12.180 375 1HA GLY 51 2HA GLY 51 2.903 5.729 -13.276 376 2HA GLY 51 1HA GLY 51 4.173 6.704 -14.014 377 H ASP 52 H ASP 52 5.729 7.282 -12.079 378 HA ASP 52 HA ASP 52 7.235 4.937 -11.725 379 1HB ASP 52 2HB ASP 52 8.190 7.045 -12.033 380 2HB ASP 52 1HB ASP 52 7.414 7.661 -10.583 381 H TYR 53 H TYR 53 4.901 6.438 -9.661 382 HA TYR 53 HA TYR 53 5.675 4.613 -7.490 383 1HB TYR 53 2HB TYR 53 3.929 7.082 -7.406 384 2HB TYR 53 1HB TYR 53 4.249 6.036 -6.031 385 HD1 TYR 53 1HD TYR 53 5.657 8.563 -8.303 386 HD2 TYR 53 2HD TYR 53 6.362 6.154 -4.874 387 HE1 TYR 53 1HE TYR 53 7.613 9.933 -7.753 388 HE2 TYR 53 2HE TYR 53 8.329 7.518 -4.310 389 HH TYR 53 HH TYR 53 9.923 8.995 -5.450 390 H SER 54 H SER 54 3.828 4.444 -10.088 391 HA SER 54 HA SER 54 1.272 3.923 -8.927 392 1HB SER 54 2HB SER 54 1.543 4.855 -11.267 393 2HB SER 54 1HB SER 54 2.198 3.256 -11.672 394 HG SER 54 HG SER 54 0.103 2.525 -10.678 395 H MET 55 H MET 55 4.084 2.086 -9.187 396 HA MET 55 HA MET 55 2.973 -0.482 -9.559 397 1HB MET 55 2HB MET 55 5.363 0.282 -7.878 398 2HB MET 55 1HB MET 55 4.931 -1.359 -8.319 399 1HG MET 55 2HG MET 55 6.655 -0.717 -9.682 400 2HG MET 55 1HG MET 55 5.226 -0.720 -10.692 401 1HE MET 55 1HE MET 55 7.289 2.267 -12.252 402 2HE MET 55 2HE MET 55 6.467 0.741 -12.578 403 3HE MET 55 3HE MET 55 7.929 0.760 -11.591 404 H PHE 56 H PHE 56 3.271 1.629 -6.866 405 HA PHE 56 HA PHE 56 1.491 -0.127 -5.460 406 1HB PHE 56 2HB PHE 56 2.169 1.372 -3.429 407 2HB PHE 56 1HB PHE 56 3.156 0.002 -3.818 408 HD1 PHE 56 1HD PHE 56 3.008 3.534 -3.321 409 HD2 PHE 56 2HD PHE 56 5.293 0.464 -5.172 410 HE1 PHE 56 1HE PHE 56 4.976 5.036 -3.412 411 HE2 PHE 56 2HE PHE 56 7.243 1.951 -5.265 412 HZ PHE 56 HZ PHE 56 7.085 4.237 -4.384 413 H ALA 57 H ALA 57 0.097 0.805 -7.085 414 HA ALA 57 HA ALA 57 -1.180 3.158 -5.903 415 1HB ALA 57 1HB ALA 57 -2.345 3.360 -8.073 416 2HB ALA 57 2HB ALA 57 -1.464 1.946 -8.658 417 3HB ALA 57 3HB ALA 57 -0.596 3.421 -8.251 418 H GLY 58 H GLY 58 -1.314 -0.181 -6.306 419 1HA GLY 58 2HA GLY 58 -3.625 -0.370 -4.655 420 2HA GLY 58 1HA GLY 58 -3.954 -0.999 -6.253 421 H LYS 59 H LYS 59 -1.263 -1.070 -3.992 422 HA LYS 59 HA LYS 59 -1.224 -4.003 -4.025 423 1HB LYS 59 2HB LYS 59 1.090 -2.190 -4.687 424 2HB LYS 59 1HB LYS 59 1.258 -3.872 -4.259 425 1HG LYS 59 2HG LYS 59 -0.416 -3.077 -6.592 426 2HG LYS 59 1HG LYS 59 1.335 -3.094 -6.737 427 1HD LYS 59 2HD LYS 59 0.554 -5.200 -7.529 428 2HD LYS 59 1HD LYS 59 1.279 -5.445 -5.945 429 1HE LYS 59 2HE LYS 59 -0.858 -5.642 -4.916 430 2HE LYS 59 1HE LYS 59 -1.693 -5.182 -6.408 431 1HZ LYS 59 1HZ LYS 59 -1.735 -7.572 -6.045 432 2HZ LYS 59 2HZ LYS 59 -0.053 -7.622 -5.985 433 3HZ LYS 59 3HZ LYS 59 -0.825 -7.204 -7.416 434 H ASP 60 H ASP 60 -0.254 -4.820 -2.124 435 HA ASP 60 HA ASP 60 0.449 -2.837 -0.118 436 1HB ASP 60 2HB ASP 60 -0.801 -5.004 0.492 437 2HB ASP 60 1HB ASP 60 0.701 -5.850 0.123 438 H ALA 61 H ALA 61 2.329 -2.043 -0.309 439 HA ALA 61 HA ALA 61 4.397 -3.557 -1.745 440 1HB ALA 61 1HB ALA 61 5.405 -1.383 -2.204 441 2HB ALA 61 2HB ALA 61 4.136 -0.601 -1.256 442 3HB ALA 61 3HB ALA 61 3.730 -1.488 -2.729 443 H SER 62 H SER 62 3.810 -3.881 1.181 444 HA SER 62 HA SER 62 5.588 -2.471 2.743 445 1HB SER 62 2HB SER 62 3.776 -3.925 3.628 446 2HB SER 62 1HB SER 62 4.713 -5.340 3.156 447 HG SER 62 HG SER 62 6.237 -3.703 4.604 448 H ARG 63 H ARG 63 6.203 -5.486 0.917 449 HA ARG 63 HA ARG 63 8.893 -5.747 1.825 450 1HB ARG 63 2HB ARG 63 7.825 -7.710 1.005 451 2HB ARG 63 1HB ARG 63 7.427 -6.937 -0.521 452 1HG ARG 63 2HG ARG 63 9.779 -6.874 -1.128 453 2HG ARG 63 1HG ARG 63 10.210 -7.600 0.417 454 1HD ARG 63 2HD ARG 63 9.175 -9.648 -0.161 455 2HD ARG 63 1HD ARG 63 8.357 -8.919 -1.548 456 HE ARG 63 HE ARG 63 10.871 -8.496 -2.195 457 1HH1 ARG 63 1HH1 ARG 63 9.351 -11.478 -1.039 458 2HH1 ARG 63 2HH1 ARG 63 10.396 -12.494 -1.928 459 1HH2 ARG 63 1HH2 ARG 63 12.202 -9.840 -3.379 460 2HH2 ARG 63 2HH2 ARG 63 12.084 -11.558 -3.314 461 H ALA 64 H ALA 64 7.408 -4.030 -0.794 462 HA ALA 64 HA ALA 64 9.763 -3.829 -2.421 463 1HB ALA 64 1HB ALA 64 8.411 -2.290 -3.785 464 2HB ALA 64 2HB ALA 64 7.159 -2.304 -2.543 465 3HB ALA 64 3HB ALA 64 7.533 -3.779 -3.434 466 H LEU 65 H LEU 65 8.090 -2.000 -0.073 467 HA LEU 65 HA LEU 65 9.467 0.419 -0.187 468 1HB LEU 65 2HB LEU 65 8.051 -1.032 1.999 469 2HB LEU 65 1HB LEU 65 8.717 0.565 2.219 470 HG LEU 65 HG LEU 65 6.454 -0.219 0.350 471 1HD1 LEU 65 1HD1 LEU 65 6.493 1.483 2.838 472 2HD1 LEU 65 2HD1 LEU 65 5.751 -0.098 2.647 473 3HD1 LEU 65 3HD1 LEU 65 5.147 1.276 1.727 474 1HD2 LEU 65 1HD2 LEU 65 6.313 2.180 -0.113 475 2HD2 LEU 65 2HD2 LEU 65 7.852 1.464 -0.654 476 3HD2 LEU 65 3HD2 LEU 65 7.776 2.375 0.867 477 H GLY 66 H GLY 66 10.354 -2.626 1.273 478 1HA GLY 66 2HA GLY 66 12.561 -1.274 2.593 479 2HA GLY 66 1HA GLY 66 12.155 -2.951 2.846 480 H LYS 67 H LYS 67 11.967 -3.422 -0.056 481 HA LYS 67 HA LYS 67 14.695 -4.040 -0.568 482 1HB LYS 67 2HB LYS 67 12.262 -4.121 -2.359 483 2HB LYS 67 1HB LYS 67 13.837 -4.737 -2.816 484 1HG LYS 67 2HG LYS 67 12.421 -5.744 -0.391 485 2HG LYS 67 1HG LYS 67 12.006 -6.351 -1.979 486 1HD LYS 67 2HD LYS 67 13.644 -7.823 -0.812 487 2HD LYS 67 1HD LYS 67 14.268 -7.181 -2.322 488 1HE LYS 67 2HE LYS 67 15.588 -5.604 -1.181 489 2HE LYS 67 1HE LYS 67 14.889 -6.012 0.392 490 1HZ LYS 67 1HZ LYS 67 16.609 -7.762 -1.316 491 2HZ LYS 67 2HZ LYS 67 15.901 -8.203 0.179 492 3HZ LYS 67 3HZ LYS 67 17.015 -6.955 0.120 493 H MET 68 H MET 68 12.507 -1.503 -1.395 494 HA MET 68 HA MET 68 12.622 0.389 -2.497 495 1HB MET 68 2HB MET 68 15.614 -0.028 -2.278 496 2HB MET 68 1HB MET 68 14.937 1.399 -3.066 497 1HG MET 68 2HG MET 68 14.573 0.544 -0.207 498 2HG MET 68 1HG MET 68 15.691 1.782 -0.773 499 1HE MET 68 1HE MET 68 13.932 3.238 -3.031 500 2HE MET 68 2HE MET 68 14.920 4.084 -1.841 501 3HE MET 68 3HE MET 68 13.240 4.551 -2.081 502 H SER 69 H SER 69 11.660 -1.371 -3.721 503 HA SER 69 HA SER 69 12.620 -1.391 -6.411 504 1HB SER 69 2HB SER 69 11.851 -3.914 -4.896 505 2HB SER 69 1HB SER 69 12.385 -3.774 -6.526 506 HG SER 69 HG SER 69 14.204 -2.558 -5.138 507 H LYS 70 H LYS 70 10.801 -2.535 -7.556 508 HA LYS 70 HA LYS 70 8.267 -1.904 -6.384 509 1HB LYS 70 2HB LYS 70 7.928 -0.188 -8.333 510 2HB LYS 70 1HB LYS 70 8.691 0.271 -6.817 511 1HG LYS 70 2HG LYS 70 10.800 0.122 -7.666 512 2HG LYS 70 1HG LYS 70 10.358 -0.641 -9.156 513 1HD LYS 70 2HD LYS 70 10.839 1.710 -9.572 514 2HD LYS 70 1HD LYS 70 9.085 1.503 -9.643 515 1HE LYS 70 2HE LYS 70 8.854 2.320 -7.378 516 2HE LYS 70 1HE LYS 70 10.602 2.453 -7.209 517 1HZ LYS 70 1HZ LYS 70 9.666 4.597 -7.680 518 2HZ LYS 70 2HZ LYS 70 8.842 4.017 -9.005 519 3HZ LYS 70 3HZ LYS 70 10.516 4.115 -9.053 520 H ASN 71 H ASN 71 10.025 -3.784 -8.475 521 HA ASN 71 HA ASN 71 7.913 -4.303 -10.457 522 1HB ASN 71 2HB ASN 71 9.125 -6.305 -11.026 523 2HB ASN 71 1HB ASN 71 10.314 -5.022 -10.882 524 1HD2 ASN 71 1HD2 ASN 71 11.793 -5.165 -9.331 525 2HD2 ASN 71 2HD2 ASN 71 12.093 -6.535 -8.327 526 H GLU 72 H GLU 72 6.533 -5.514 -10.627 527 HA GLU 72 HA GLU 72 4.773 -5.882 -8.556 528 1HB GLU 72 2HB GLU 72 4.365 -5.567 -10.881 529 2HB GLU 72 1HB GLU 72 5.102 -7.105 -11.257 530 1HG GLU 72 2HG GLU 72 2.899 -6.960 -11.470 531 2HG GLU 72 1HG GLU 72 3.235 -8.270 -10.301 532 H GLU 73 H GLU 73 7.375 -7.861 -9.638 533 HA GLU 73 HA GLU 73 6.431 -10.340 -8.616 534 1HB GLU 73 2HB GLU 73 9.280 -9.546 -9.230 535 2HB GLU 73 1HB GLU 73 8.624 -11.177 -9.164 536 1HG GLU 73 2HG GLU 73 7.182 -10.543 -11.161 537 2HG GLU 73 1HG GLU 73 8.116 -9.027 -11.137 538 H ASP 74 H ASP 74 8.538 -7.660 -7.429 539 HA ASP 74 HA ASP 74 9.183 -9.081 -5.017 540 1HB ASP 74 2HB ASP 74 10.857 -7.671 -6.169 541 2HB ASP 74 1HB ASP 74 9.830 -6.267 -5.921 542 H VAL 75 H VAL 75 6.989 -6.623 -6.139 543 HA VAL 75 HA VAL 75 6.304 -5.450 -3.663 544 HB VAL 75 HB VAL 75 4.513 -5.789 -6.111 545 1HG1 VAL 75 1HG1 VAL 75 4.410 -3.783 -3.879 546 2HG1 VAL 75 2HG1 VAL 75 3.225 -5.076 -4.167 547 3HG1 VAL 75 3HG1 VAL 75 3.443 -3.756 -5.342 548 1HG2 VAL 75 1HG2 VAL 75 6.367 -3.546 -5.384 549 2HG2 VAL 75 2HG2 VAL 75 5.267 -3.594 -6.779 550 3HG2 VAL 75 3HG2 VAL 75 6.605 -4.740 -6.661 551 H SER 76 H SER 76 5.137 -6.166 -1.988 552 HA SER 76 HA SER 76 3.224 -8.226 -1.990 553 1HB SER 76 2HB SER 76 5.217 -9.522 -2.694 554 2HB SER 76 1HB SER 76 6.062 -8.995 -1.256 555 HG SER 76 HG SER 76 5.265 -10.986 -0.852 556 HA PRO 77 HA PRO 77 3.105 -6.523 2.227 557 1HB PRO 77 2HB PRO 77 1.431 -8.270 3.399 558 2HB PRO 77 1HB PRO 77 0.874 -7.123 2.174 559 1HG PRO 77 2HG PRO 77 1.552 -10.026 1.871 560 2HG PRO 77 1HG PRO 77 0.165 -9.135 1.223 561 1HD PRO 77 2HD PRO 77 2.380 -9.726 -0.247 562 2HD PRO 77 1HD PRO 77 1.377 -8.290 -0.539 563 H SER 78 H SER 78 4.376 -9.539 1.437 564 HA SER 78 HA SER 78 5.114 -10.499 4.122 565 1HB SER 78 2HB SER 78 4.642 -12.011 2.102 566 2HB SER 78 1HB SER 78 6.117 -11.287 1.435 567 HG SER 78 HG SER 78 6.902 -13.019 2.363 568 H LEU 79 H LEU 79 6.994 -10.550 5.031 569 HA LEU 79 HA LEU 79 8.870 -8.702 3.856 570 1HB LEU 79 2HB LEU 79 8.294 -9.051 6.791 571 2HB LEU 79 1HB LEU 79 9.560 -8.074 6.085 572 HG LEU 79 HG LEU 79 6.609 -7.623 5.962 573 1HD1 LEU 79 1HD1 LEU 79 8.842 -5.925 7.078 574 2HD1 LEU 79 2HD1 LEU 79 7.655 -6.854 8.002 575 3HD1 LEU 79 3HD1 LEU 79 7.135 -5.492 7.015 576 1HD2 LEU 79 1HD2 LEU 79 7.496 -7.163 3.777 577 2HD2 LEU 79 2HD2 LEU 79 8.768 -6.148 4.463 578 3HD2 LEU 79 3HD2 LEU 79 7.076 -5.648 4.574 579 H GLU 80 H GLU 80 9.810 -10.245 2.868 580 HA GLU 80 HA GLU 80 11.434 -12.018 4.475 581 1HB GLU 80 2HB GLU 80 10.988 -13.793 2.820 582 2HB GLU 80 1HB GLU 80 9.550 -13.294 3.672 583 1HG GLU 80 2HG GLU 80 8.788 -11.990 1.822 584 2HG GLU 80 1HG GLU 80 10.270 -12.293 0.930 585 H GLY 81 H GLY 81 13.497 -12.038 3.755 586 1HA GLY 81 2HA GLY 81 15.246 -11.832 2.224 587 2HA GLY 81 1HA GLY 81 14.112 -11.162 1.046 588 H LEU 82 H LEU 82 14.054 -10.105 4.250 589 HA LEU 82 HA LEU 82 15.263 -7.547 3.543 590 1HB LEU 82 2HB LEU 82 12.845 -8.142 5.200 591 2HB LEU 82 1HB LEU 82 13.618 -6.587 5.088 592 HG LEU 82 HG LEU 82 12.208 -8.037 2.838 593 1HD1 LEU 82 1HD1 LEU 82 10.592 -6.231 3.081 594 2HD1 LEU 82 2HD1 LEU 82 11.544 -5.604 4.442 595 3HD1 LEU 82 3HD1 LEU 82 10.744 -7.173 4.573 596 1HD2 LEU 82 1HD2 LEU 82 12.516 -6.015 1.586 597 2HD2 LEU 82 2HD2 LEU 82 14.105 -6.616 2.109 598 3HD2 LEU 82 3HD2 LEU 82 13.324 -5.270 2.958 599 H THR 83 H THR 83 16.848 -7.109 4.829 600 HA THR 83 HA THR 83 17.160 -8.425 7.372 601 HB THR 83 HB THR 83 19.280 -7.076 7.461 602 HG1 THR 83 1HG THR 83 18.619 -6.465 4.761 603 1HG2 THR 83 1HG2 THR 83 19.234 -9.362 6.575 604 2HG2 THR 83 2HG2 THR 83 20.391 -8.372 5.686 605 3HG2 THR 83 3HG2 THR 83 18.816 -8.733 4.983 606 H GLU 84 H GLU 84 18.102 -6.615 9.117 607 HA GLU 84 HA GLU 84 15.819 -5.259 9.985 608 1HB GLU 84 2HB GLU 84 17.724 -5.902 11.453 609 2HB GLU 84 1HB GLU 84 18.681 -4.621 10.727 610 1HG GLU 84 2HG GLU 84 17.036 -2.971 11.527 611 2HG GLU 84 1HG GLU 84 16.153 -4.263 12.316 612 H LYS 85 H LYS 85 18.681 -4.079 8.315 613 HA LYS 85 HA LYS 85 18.192 -1.343 8.073 614 1HB LYS 85 2HB LYS 85 20.228 -2.367 7.249 615 2HB LYS 85 1HB LYS 85 19.315 -3.263 6.043 616 1HG LYS 85 2HG LYS 85 18.570 -0.972 5.169 617 2HG LYS 85 1HG LYS 85 19.877 -0.323 6.153 618 1HD LYS 85 2HD LYS 85 20.142 -2.416 4.026 619 2HD LYS 85 1HD LYS 85 20.538 -0.713 3.816 620 1HE LYS 85 2HE LYS 85 22.243 -0.893 5.565 621 2HE LYS 85 1HE LYS 85 21.860 -2.595 5.773 622 1HZ LYS 85 1HZ LYS 85 23.790 -2.312 4.362 623 2HZ LYS 85 2HZ LYS 85 22.892 -1.348 3.300 624 3HZ LYS 85 3HZ LYS 85 22.516 -2.976 3.476 625 H GLU 86 H GLU 86 17.159 -4.004 6.030 626 HA GLU 86 HA GLU 86 15.990 -2.416 4.074 627 1HB GLU 86 2HB GLU 86 15.922 -5.273 4.793 628 2HB GLU 86 1HB GLU 86 15.099 -4.690 3.368 629 1HG GLU 86 2HG GLU 86 17.265 -3.755 2.575 630 2HG GLU 86 1HG GLU 86 18.040 -4.389 4.018 631 H ILE 87 H ILE 87 14.734 -4.209 6.804 632 HA ILE 87 HA ILE 87 12.090 -3.500 6.174 633 HB ILE 87 HB ILE 87 13.251 -4.230 8.854 634 1HG1 ILE 87 2HG1 ILE 87 11.810 -5.888 6.780 635 2HG1 ILE 87 1HG1 ILE 87 13.499 -5.992 7.211 636 1HG2 ILE 87 1HG2 ILE 87 10.480 -4.133 7.786 637 2HG2 ILE 87 2HG2 ILE 87 11.196 -2.984 8.939 638 3HG2 ILE 87 3HG2 ILE 87 10.898 -4.687 9.427 639 1HD1 ILE 87 1HD1 ILE 87 12.929 -6.710 9.451 640 2HD1 ILE 87 2HD1 ILE 87 12.141 -7.779 8.265 641 3HD1 ILE 87 3HD1 ILE 87 11.226 -6.486 9.076 642 H ASN 88 H ASN 88 14.594 -2.028 8.219 643 HA ASN 88 HA ASN 88 13.208 0.077 9.385 644 1HB ASN 88 2HB ASN 88 15.994 0.016 8.297 645 2HB ASN 88 1HB ASN 88 15.293 1.421 9.085 646 1HD2 ASN 88 1HD2 ASN 88 17.599 -0.210 9.852 647 2HD2 ASN 88 2HD2 ASN 88 17.280 -0.830 11.412 648 H THR 89 H THR 89 14.458 -0.222 6.215 649 HA THR 89 HA THR 89 14.122 2.375 5.284 650 HB THR 89 HB THR 89 14.006 -0.278 3.861 651 HG1 THR 89 1HG THR 89 15.974 0.252 5.053 652 1HG2 THR 89 1HG2 THR 89 13.054 1.442 2.537 653 2HG2 THR 89 2HG2 THR 89 14.651 1.012 1.886 654 3HG2 THR 89 3HG2 THR 89 14.432 2.506 2.855 655 H LEU 90 H LEU 90 11.935 -0.386 5.379 656 HA LEU 90 HA LEU 90 9.826 0.900 3.930 657 1HB LEU 90 2HB LEU 90 9.410 -1.183 3.613 658 2HB LEU 90 1HB LEU 90 10.472 -1.750 4.842 659 HG LEU 90 HG LEU 90 8.391 -0.957 6.339 660 1HD1 LEU 90 1HD1 LEU 90 7.060 -0.106 4.630 661 2HD1 LEU 90 2HD1 LEU 90 6.285 -1.533 5.331 662 3HD1 LEU 90 3HD1 LEU 90 7.103 -1.645 3.771 663 1HD2 LEU 90 1HD2 LEU 90 7.604 -3.263 6.347 664 2HD2 LEU 90 2HD2 LEU 90 9.377 -3.130 6.420 665 3HD2 LEU 90 3HD2 LEU 90 8.587 -3.580 4.911 666 H ASN 91 H ASN 91 10.665 0.092 7.193 667 HA ASN 91 HA ASN 91 8.465 1.015 8.600 668 1HB ASN 91 2HB ASN 91 11.373 1.334 9.347 669 2HB ASN 91 1HB ASN 91 10.016 1.495 10.427 670 1HD2 ASN 91 1HD2 ASN 91 8.669 -0.947 9.147 671 2HD2 ASN 91 2HD2 ASN 91 9.585 -2.248 9.802 672 H ASP 92 H ASP 92 11.223 2.763 7.313 673 HA ASP 92 HA ASP 92 10.538 5.360 8.161 674 1HB ASP 92 2HB ASP 92 12.772 4.857 7.325 675 2HB ASP 92 1HB ASP 92 12.115 4.387 5.766 676 H TRP 93 H TRP 93 9.925 3.618 5.145 677 HA TRP 93 HA TRP 93 8.249 5.479 3.869 678 1HB TRP 93 2HB TRP 93 8.523 2.544 3.749 679 2HB TRP 93 1HB TRP 93 7.254 3.290 2.827 680 HD1 TRP 93 HD TRP 93 10.745 2.197 2.517 681 HE1 TRP 93 1HE TRP 93 11.890 3.185 0.445 682 HE3 TRP 93 3HE TRP 93 7.368 5.889 1.460 683 HZ2 TRP 93 2HZ TRP 93 11.413 5.308 -1.396 684 HZ3 TRP 93 3HZ TRP 93 7.792 7.358 -0.467 685 HH2 TRP 93 HH TRP 93 9.770 7.071 -1.863 686 H GLU 94 H GLU 94 7.261 2.955 6.090 687 HA GLU 94 HA GLU 94 4.521 3.338 6.098 688 1HB GLU 94 2HB GLU 94 6.337 2.880 8.483 689 2HB GLU 94 1HB GLU 94 4.595 2.666 8.500 690 1HG GLU 94 2HG GLU 94 4.744 0.875 6.949 691 2HG GLU 94 1HG GLU 94 6.483 1.098 6.734 692 H THR 95 H THR 95 6.930 4.986 7.888 693 HA THR 95 HA THR 95 5.484 6.787 9.452 694 HB THR 95 HB THR 95 8.262 7.030 8.314 695 HG1 THR 95 1HG THR 95 8.251 5.141 9.505 696 1HG2 THR 95 1HG2 THR 95 7.546 9.118 9.304 697 2HG2 THR 95 2HG2 THR 95 8.730 8.362 10.377 698 3HG2 THR 95 3HG2 THR 95 7.008 8.295 10.766 699 H LYS 96 H LYS 96 6.551 6.994 6.109 700 HA LYS 96 HA LYS 96 6.294 9.859 5.943 701 1HB LYS 96 2HB LYS 96 6.627 7.809 3.754 702 2HB LYS 96 1HB LYS 96 6.897 9.546 3.614 703 1HG LYS 96 2HG LYS 96 8.377 7.715 5.439 704 2HG LYS 96 1HG LYS 96 9.041 8.215 3.914 705 1HD LYS 96 2HD LYS 96 8.898 10.587 4.749 706 2HD LYS 96 1HD LYS 96 8.335 9.948 6.292 707 1HE LYS 96 2HE LYS 96 10.400 8.645 6.501 708 2HE LYS 96 1HE LYS 96 10.959 9.317 4.977 709 1HZ LYS 96 1HZ LYS 96 10.363 10.876 7.424 710 2HZ LYS 96 2HZ LYS 96 10.960 11.512 5.967 711 3HZ LYS 96 3HZ LYS 96 11.904 10.460 6.878 712 H PHE 97 H PHE 97 4.626 7.026 4.858 713 HA PHE 97 HA PHE 97 2.432 8.340 3.701 714 1HB PHE 97 2HB PHE 97 2.927 5.585 4.734 715 2HB PHE 97 1HB PHE 97 1.342 6.037 4.156 716 HD1 PHE 97 1HD PHE 97 4.877 5.563 3.202 717 HD2 PHE 97 2HD PHE 97 0.915 6.200 1.812 718 HE1 PHE 97 1HE PHE 97 5.598 5.012 0.919 719 HE2 PHE 97 2HE PHE 97 1.636 5.655 -0.478 720 HZ PHE 97 HZ PHE 97 3.973 5.059 -0.923 721 H GLU 98 H GLU 98 3.129 7.128 6.893 722 HA GLU 98 HA GLU 98 0.762 7.469 8.260 723 1HB GLU 98 2HB GLU 98 3.604 7.470 8.823 724 2HB GLU 98 1HB GLU 98 2.727 8.078 10.162 725 1HG GLU 98 2HG GLU 98 2.430 5.390 8.824 726 2HG GLU 98 1HG GLU 98 3.185 5.748 10.373 727 H ALA 99 H ALA 99 2.959 9.932 7.160 728 HA ALA 99 HA ALA 99 1.477 11.933 8.717 729 1HB ALA 99 1HB ALA 99 3.361 13.410 8.380 730 2HB ALA 99 2HB ALA 99 4.134 12.203 7.353 731 3HB ALA 99 3HB ALA 99 3.885 11.870 9.070 732 H LYS 100 H LYS 100 1.913 10.806 5.459 733 HA LYS 100 HA LYS 100 1.156 13.414 4.372 734 1HB LYS 100 2HB LYS 100 2.641 11.079 3.336 735 2HB LYS 100 1HB LYS 100 1.596 11.886 2.202 736 1HG LYS 100 2HG LYS 100 3.920 12.611 1.982 737 2HG LYS 100 1HG LYS 100 2.888 13.943 2.440 738 1HD LYS 100 2HD LYS 100 4.583 12.424 4.425 739 2HD LYS 100 1HD LYS 100 5.205 13.790 3.506 740 1HE LYS 100 2HE LYS 100 3.334 15.161 4.460 741 2HE LYS 100 1HE LYS 100 2.920 13.780 5.467 742 1HZ LYS 100 1HZ LYS 100 5.173 13.910 6.439 743 2HZ LYS 100 2HZ LYS 100 4.272 15.297 6.689 744 3HZ LYS 100 3HZ LYS 100 5.471 15.288 5.513 745 H TYR 101 H TYR 101 0.016 10.150 4.872 746 HA TYR 101 HA TYR 101 -2.344 10.801 3.301 747 1HB TYR 101 2HB TYR 101 -0.722 8.269 3.206 748 2HB TYR 101 1HB TYR 101 -2.289 8.501 2.453 749 HD1 TYR 101 1HD TYR 101 -2.470 10.408 0.717 750 HD2 TYR 101 2HD TYR 101 1.234 8.810 2.044 751 HE1 TYR 101 1HE TYR 101 -1.374 11.328 -1.269 752 HE2 TYR 101 2HE TYR 101 2.347 9.730 0.056 753 HH TYR 101 HH TYR 101 0.842 12.004 -1.965 754 HA PRO 102 HA PRO 102 -4.390 9.079 6.824 755 1HB PRO 102 2HB PRO 102 -6.867 9.020 5.918 756 2HB PRO 102 1HB PRO 102 -6.028 10.569 6.101 757 1HG PRO 102 2HG PRO 102 -6.461 8.922 3.647 758 2HG PRO 102 1HG PRO 102 -6.678 10.666 3.858 759 1HD PRO 102 2HD PRO 102 -4.407 9.556 2.762 760 2HD PRO 102 1HD PRO 102 -4.443 11.095 3.652 761 H VAL 103 H VAL 103 -4.581 7.091 7.529 762 HA VAL 103 HA VAL 103 -4.809 4.788 5.797 763 HB VAL 103 HB VAL 103 -5.097 4.863 8.848 764 1HG1 VAL 103 1HG1 VAL 103 -6.168 2.871 7.876 765 2HG1 VAL 103 2HG1 VAL 103 -4.692 2.439 8.757 766 3HG1 VAL 103 3HG1 VAL 103 -4.674 2.511 7.005 767 1HG2 VAL 103 1HG2 VAL 103 -2.842 5.522 8.103 768 2HG2 VAL 103 2HG2 VAL 103 -2.750 4.014 7.169 769 3HG2 VAL 103 3HG2 VAL 103 -2.840 3.950 8.912 770 H VAL 104 H VAL 104 -6.599 4.525 4.779 771 HA VAL 104 HA VAL 104 -9.119 5.344 6.011 772 HB VAL 104 HB VAL 104 -10.147 4.995 3.749 773 1HG1 VAL 104 1HG1 VAL 104 -7.744 6.824 3.863 774 2HG1 VAL 104 2HG1 VAL 104 -9.357 7.196 4.468 775 3HG1 VAL 104 3HG1 VAL 104 -9.095 6.976 2.739 776 1HG2 VAL 104 1HG2 VAL 104 -8.557 3.322 2.912 777 2HG2 VAL 104 2HG2 VAL 104 -7.284 4.551 2.917 778 3HG2 VAL 104 3HG2 VAL 104 -8.665 4.717 1.836 779 H GLY 105 H GLY 105 -7.426 2.600 6.026 780 1HA GLY 105 2HA GLY 105 -9.142 1.020 7.293 781 2HA GLY 105 1HA GLY 105 -9.630 0.779 5.620 782 H ARG 106 H ARG 106 -9.017 -1.373 5.718 783 HA ARG 106 HA ARG 106 -6.102 -1.693 5.487 784 1HB ARG 106 2HB ARG 106 -5.964 -3.630 6.809 785 2HB ARG 106 1HB ARG 106 -7.192 -2.751 7.701 786 1HG ARG 106 2HG ARG 106 -7.826 -4.782 5.611 787 2HG ARG 106 1HG ARG 106 -7.735 -5.216 7.291 788 1HD ARG 106 2HD ARG 106 -9.467 -3.127 6.122 789 2HD ARG 106 1HD ARG 106 -9.851 -4.849 6.373 790 HE ARG 106 HE ARG 106 -8.998 -3.983 8.814 791 1HH1 ARG 106 1HH1 ARG 106 -11.511 -2.588 6.745 792 2HH1 ARG 106 2HH1 ARG 106 -12.473 -2.068 8.048 793 1HH2 ARG 106 1HH2 ARG 106 -10.317 -3.214 10.587 794 2HH2 ARG 106 2HH2 ARG 106 -11.786 -2.430 10.276 795 H VAL 107 H VAL 107 -5.559 -3.534 4.224 796 HA VAL 107 HA VAL 107 -7.710 -4.319 2.463 797 HB VAL 107 HB VAL 107 -5.565 -3.587 1.370 798 1HG1 VAL 107 1HG1 VAL 107 -4.143 -4.378 3.070 799 2HG1 VAL 107 2HG1 VAL 107 -3.666 -5.113 1.491 800 3HG1 VAL 107 3HG1 VAL 107 -4.611 -6.036 2.709 801 1HG2 VAL 107 1HG2 VAL 107 -6.313 -6.434 1.088 802 2HG2 VAL 107 2HG2 VAL 107 -5.461 -5.483 -0.166 803 3HG2 VAL 107 3HG2 VAL 107 -7.135 -5.083 0.337 804 H VAL 108 H VAL 108 -8.293 -6.412 2.333 805 HA VAL 108 HA VAL 108 -7.348 -8.145 4.484 806 HB VAL 108 HB VAL 108 -9.526 -6.857 4.568 807 1HG1 VAL 108 1HG1 VAL 108 -11.533 -7.948 3.732 808 2HG1 VAL 108 2HG1 VAL 108 -10.511 -8.890 2.628 809 3HG1 VAL 108 3HG1 VAL 108 -10.529 -7.118 2.570 810 1HG2 VAL 108 1HG2 VAL 108 -8.972 -8.380 6.207 811 2HG2 VAL 108 2HG2 VAL 108 -9.538 -9.781 5.248 812 3HG2 VAL 108 3HG2 VAL 108 -10.669 -8.507 5.811 813 H SER 109 H SER 109 -7.195 -10.368 3.861 814 HA SER 109 HA SER 109 -8.010 -10.964 1.165 815 1HB SER 109 2HB SER 109 -5.623 -10.307 1.029 816 2HB SER 109 1HB SER 109 -5.221 -11.494 2.264 817 HG SER 109 HG SER 109 -6.242 -12.046 -0.351 Start of MODEL 15 1 1H MET 1 1HT MET 1 -17.110 -0.611 -7.157 2 2H MET 1 2HT MET 1 -18.110 -1.924 -6.779 3 3H MET 1 3HT MET 1 -17.324 -1.888 -8.245 4 HA MET 1 HA MET 1 -16.316 -3.413 -6.675 5 1HB MET 1 2HB MET 1 -14.619 -1.008 -7.363 6 2HB MET 1 1HB MET 1 -13.974 -2.544 -6.801 7 1HG MET 1 2HG MET 1 -15.546 -2.097 -9.323 8 2HG MET 1 1HG MET 1 -13.805 -2.380 -9.207 9 1HE MET 1 1HE MET 1 -15.166 -5.688 -10.806 10 2HE MET 1 2HE MET 1 -14.056 -4.328 -10.991 11 3HE MET 1 3HE MET 1 -15.796 -4.063 -11.077 12 H GLY 2 H GLY 2 -17.805 -1.156 -5.117 13 1HA GLY 2 2HA GLY 2 -16.030 -0.658 -2.947 14 2HA GLY 2 1HA GLY 2 -17.739 -0.245 -3.051 15 H HIS 3 H HIS 3 -16.998 -1.149 -0.715 16 HA HIS 3 HA HIS 3 -17.969 -3.922 -0.724 17 1HB HIS 3 2HB HIS 3 -15.814 -2.860 1.131 18 2HB HIS 3 1HB HIS 3 -16.418 -4.512 1.058 19 HD1 HIS 3 1HD HIS 3 -13.913 -2.249 -0.383 20 HD2 HIS 3 2HD HIS 3 -15.619 -5.901 -1.407 21 HE1 HIS 3 1HE HIS 3 -12.415 -3.236 -2.134 22 HE2 HIS 3 2HE HIS 3 -13.752 -5.158 -3.001 23 H HIS 4 H HIS 4 -17.399 -1.003 1.228 24 HA HIS 4 HA HIS 4 -20.106 -1.235 2.292 25 1HB HIS 4 2HB HIS 4 -17.615 -0.842 4.003 26 2HB HIS 4 1HB HIS 4 -19.252 -0.559 4.579 27 HD1 HIS 4 1HD HIS 4 -16.701 -3.194 4.303 28 HD2 HIS 4 2HD HIS 4 -20.843 -3.009 4.612 29 HE1 HIS 4 1HE HIS 4 -17.427 -5.478 4.945 30 HE2 HIS 4 2HE HIS 4 -19.941 -5.390 4.949 31 H HIS 5 H HIS 5 -20.970 0.556 1.475 32 HA HIS 5 HA HIS 5 -19.307 2.712 0.651 33 1HB HIS 5 2HB HIS 5 -21.294 3.804 -0.241 34 2HB HIS 5 1HB HIS 5 -21.254 2.128 -0.700 35 HD1 HIS 5 1HD HIS 5 -23.312 0.795 -0.248 36 HD2 HIS 5 2HD HIS 5 -23.295 4.385 1.836 37 HE1 HIS 5 1HE HIS 5 -25.596 0.997 0.750 38 HE2 HIS 5 2HE HIS 5 -25.406 2.965 2.283 39 H HIS 6 H HIS 6 -18.917 4.613 1.375 40 HA HIS 6 HA HIS 6 -18.643 6.336 2.672 41 1HB HIS 6 2HB HIS 6 -21.028 6.816 2.265 42 2HB HIS 6 1HB HIS 6 -21.462 5.846 3.663 43 HD1 HIS 6 1HD HIS 6 -21.823 7.165 5.730 44 HD2 HIS 6 2HD HIS 6 -19.324 9.143 3.077 45 HE1 HIS 6 1HE HIS 6 -21.361 9.383 6.782 46 HE2 HIS 6 2HE HIS 6 -20.143 10.656 4.991 47 H HIS 7 H HIS 7 -17.161 4.652 3.506 48 HA HIS 7 HA HIS 7 -17.167 4.941 6.399 49 1HB HIS 7 2HB HIS 7 -16.625 2.315 4.958 50 2HB HIS 7 1HB HIS 7 -16.239 2.619 6.637 51 HD1 HIS 7 1HD HIS 7 -18.066 2.057 8.315 52 HD2 HIS 7 2HD HIS 7 -19.453 2.203 4.404 53 HE1 HIS 7 1HE HIS 7 -20.375 1.153 8.389 54 HE2 HIS 7 2HE HIS 7 -21.278 1.608 6.119 55 H HIS 8 H HIS 8 -15.045 5.157 7.136 56 HA HIS 8 HA HIS 8 -13.080 5.633 5.068 57 1HB HIS 8 2HB HIS 8 -12.803 5.706 8.097 58 2HB HIS 8 1HB HIS 8 -11.519 6.117 6.975 59 HD1 HIS 8 1HD HIS 8 -14.185 7.574 8.874 60 HD2 HIS 8 2HD HIS 8 -12.265 8.433 5.302 61 HE1 HIS 8 1HE HIS 8 -14.737 9.969 8.368 62 HE2 HIS 8 2HE HIS 8 -13.248 10.522 6.443 63 H LEU 9 H LEU 9 -13.505 3.539 7.852 64 HA LEU 9 HA LEU 9 -11.454 1.810 6.932 65 1HB LEU 9 2HB LEU 9 -11.764 2.156 9.352 66 2HB LEU 9 1HB LEU 9 -13.388 1.533 9.223 67 HG LEU 9 HG LEU 9 -11.679 -0.025 10.298 68 1HD1 LEU 9 1HD1 LEU 9 -12.464 -2.057 9.205 69 2HD1 LEU 9 2HD1 LEU 9 -13.085 -1.098 7.862 70 3HD1 LEU 9 3HD1 LEU 9 -13.785 -0.916 9.470 71 1HD2 LEU 9 1HD2 LEU 9 -10.740 -0.321 7.462 72 2HD2 LEU 9 2HD2 LEU 9 -10.208 -1.293 8.830 73 3HD2 LEU 9 3HD2 LEU 9 -9.816 0.433 8.764 74 H GLU 10 H GLU 10 -11.821 0.736 5.278 75 HA GLU 10 HA GLU 10 -14.117 -1.013 5.270 76 1HB GLU 10 2HB GLU 10 -14.469 0.724 3.550 77 2HB GLU 10 1HB GLU 10 -12.890 0.358 2.862 78 1HG GLU 10 2HG GLU 10 -13.602 -1.891 2.421 79 2HG GLU 10 1HG GLU 10 -15.204 -1.539 3.050 80 H GLU 11 H GLU 11 -13.492 -3.151 4.929 81 HA GLU 11 HA GLU 11 -10.756 -3.581 4.798 82 1HB GLU 11 2HB GLU 11 -12.043 -4.891 6.273 83 2HB GLU 11 1HB GLU 11 -13.117 -5.384 4.971 84 1HG GLU 11 2HG GLU 11 -11.426 -6.525 3.884 85 2HG GLU 11 1HG GLU 11 -10.176 -6.001 4.948 86 H PHE 12 H PHE 12 -9.783 -3.556 3.067 87 HA PHE 12 HA PHE 12 -10.959 -4.371 0.551 88 1HB PHE 12 2HB PHE 12 -8.518 -3.072 1.518 89 2HB PHE 12 1HB PHE 12 -8.655 -3.787 -0.075 90 HD1 PHE 12 1HD PHE 12 -10.160 -2.590 -1.733 91 HD2 PHE 12 2HD PHE 12 -9.580 -1.050 2.190 92 HE1 PHE 12 1HE PHE 12 -11.147 -0.443 -2.432 93 HE2 PHE 12 2HE PHE 12 -10.567 1.092 1.502 94 HZ PHE 12 HZ PHE 12 -11.351 1.398 -0.811 95 H THR 13 H THR 13 -10.433 -6.334 -0.241 96 HA THR 13 HA THR 13 -8.247 -7.693 1.097 97 HB THR 13 HB THR 13 -10.026 -8.745 -1.117 98 HG1 THR 13 1HG THR 13 -10.875 -8.028 1.171 99 1HG2 THR 13 1HG2 THR 13 -7.988 -9.928 -0.759 100 2HG2 THR 13 2HG2 THR 13 -9.346 -10.917 -0.146 101 3HG2 THR 13 3HG2 THR 13 -8.299 -10.002 0.970 102 H ALA 14 H ALA 14 -6.401 -8.371 -0.171 103 HA ALA 14 HA ALA 14 -5.433 -6.260 -1.706 104 1HB ALA 14 1HB ALA 14 -3.988 -7.778 -0.455 105 2HB ALA 14 2HB ALA 14 -3.437 -7.493 -2.106 106 3HB ALA 14 3HB ALA 14 -4.223 -9.017 -1.694 107 H GLU 15 H GLU 15 -6.657 -9.347 -2.930 108 HA GLU 15 HA GLU 15 -6.092 -8.837 -5.642 109 1HB GLU 15 2HB GLU 15 -8.387 -10.411 -4.465 110 2HB GLU 15 1HB GLU 15 -7.930 -10.439 -6.161 111 1HG GLU 15 2HG GLU 15 -6.250 -11.366 -3.842 112 2HG GLU 15 1HG GLU 15 -7.075 -12.386 -5.018 113 H GLN 16 H GLN 16 -8.698 -7.826 -3.620 114 HA GLN 16 HA GLN 16 -10.254 -6.631 -5.698 115 1HB GLN 16 2HB GLN 16 -10.404 -6.566 -2.692 116 2HB GLN 16 1HB GLN 16 -11.446 -5.542 -3.649 117 1HG GLN 16 2HG GLN 16 -12.640 -7.529 -2.980 118 2HG GLN 16 1HG GLN 16 -12.391 -7.554 -4.714 119 1HE2 GLN 16 1HE2 GLN 16 -11.677 -9.070 -1.699 120 2HE2 GLN 16 2HE2 GLN 16 -10.939 -10.476 -2.352 121 H LEU 17 H LEU 17 -7.863 -5.556 -3.399 122 HA LEU 17 HA LEU 17 -8.150 -2.759 -3.749 123 1HB LEU 17 2HB LEU 17 -7.023 -3.751 -1.813 124 2HB LEU 17 1HB LEU 17 -5.743 -4.338 -2.858 125 HG LEU 17 HG LEU 17 -5.263 -1.936 -3.451 126 1HD1 LEU 17 1HD1 LEU 17 -7.060 -1.412 -1.135 127 2HD1 LEU 17 2HD1 LEU 17 -7.332 -0.932 -2.820 128 3HD1 LEU 17 3HD1 LEU 17 -5.995 -0.230 -1.892 129 1HD2 LEU 17 1HD2 LEU 17 -3.861 -3.153 -1.926 130 2HD2 LEU 17 2HD2 LEU 17 -4.931 -2.727 -0.574 131 3HD2 LEU 17 3HD2 LEU 17 -4.030 -1.463 -1.429 132 H SER 18 H SER 18 -6.498 -5.209 -5.550 133 HA SER 18 HA SER 18 -4.473 -3.662 -6.754 134 1HB SER 18 2HB SER 18 -5.739 -6.237 -7.700 135 2HB SER 18 1HB SER 18 -4.224 -5.565 -8.309 136 HG SER 18 HG SER 18 -4.670 -6.166 -5.560 137 H GLN 19 H GLN 19 -7.521 -2.988 -7.111 138 HA GLN 19 HA GLN 19 -7.419 -2.368 -9.999 139 1HB GLN 19 2HB GLN 19 -9.754 -2.267 -8.083 140 2HB GLN 19 1HB GLN 19 -9.827 -1.931 -9.806 141 1HG GLN 19 2HG GLN 19 -9.172 -4.224 -10.278 142 2HG GLN 19 1HG GLN 19 -9.101 -4.564 -8.552 143 1HE2 GLN 19 1HE2 GLN 19 -11.015 -4.672 -7.386 144 2HE2 GLN 19 2HE2 GLN 19 -12.539 -4.888 -8.168 145 H TYR 20 H TYR 20 -7.222 -1.104 -6.845 146 HA TYR 20 HA TYR 20 -8.012 1.583 -7.521 147 1HB TYR 20 2HB TYR 20 -7.215 0.240 -4.944 148 2HB TYR 20 1HB TYR 20 -7.570 1.963 -5.061 149 HD1 TYR 20 1HD TYR 20 -9.005 -1.422 -5.197 150 HD2 TYR 20 2HD TYR 20 -9.818 2.744 -5.452 151 HE1 TYR 20 1HE TYR 20 -11.421 -1.877 -5.015 152 HE2 TYR 20 2HE TYR 20 -12.211 2.301 -5.266 153 HH TYR 20 HH TYR 20 -13.497 -0.699 -4.365 154 H ASN 21 H ASN 21 -5.573 0.232 -8.551 155 HA ASN 21 HA ASN 21 -3.438 1.865 -7.501 156 1HB ASN 21 2HB ASN 21 -2.025 0.921 -9.296 157 2HB ASN 21 1HB ASN 21 -2.865 -0.355 -8.429 158 1HD2 ASN 21 1HD2 ASN 21 -4.362 -1.642 -9.537 159 2HD2 ASN 21 2HD2 ASN 21 -4.588 -1.474 -11.227 160 H GLY 22 H GLY 22 -5.935 2.220 -9.730 161 1HA GLY 22 2HA GLY 22 -6.585 4.394 -10.324 162 2HA GLY 22 1HA GLY 22 -4.888 4.892 -10.365 163 H THR 23 H THR 23 -4.908 2.055 -11.839 164 HA THR 23 HA THR 23 -4.992 3.333 -14.416 165 HB THR 23 HB THR 23 -4.279 0.534 -13.624 166 HG1 THR 23 1HG THR 23 -2.729 1.653 -12.783 167 1HG2 THR 23 1HG2 THR 23 -3.141 0.440 -15.813 168 2HG2 THR 23 2HG2 THR 23 -3.764 2.057 -16.174 169 3HG2 THR 23 3HG2 THR 23 -4.883 0.699 -15.966 170 H ASP 24 H ASP 24 -6.730 0.716 -12.702 171 HA ASP 24 HA ASP 24 -8.306 -0.185 -14.901 172 1HB ASP 24 2HB ASP 24 -7.926 -1.257 -12.451 173 2HB ASP 24 1HB ASP 24 -9.257 -0.242 -12.084 174 H GLU 25 H GLU 25 -9.380 1.574 -15.931 175 HA GLU 25 HA GLU 25 -11.028 3.104 -16.328 176 1HB GLU 25 2HB GLU 25 -12.276 2.051 -13.769 177 2HB GLU 25 1HB GLU 25 -13.086 3.038 -14.974 178 1HG GLU 25 2HG GLU 25 -12.820 1.221 -16.608 179 2HG GLU 25 1HG GLU 25 -12.045 0.248 -15.358 180 H SER 26 H SER 26 -8.791 3.509 -14.315 181 HA SER 26 HA SER 26 -7.922 5.038 -12.953 182 1HB SER 26 2HB SER 26 -8.338 6.463 -14.930 183 2HB SER 26 1HB SER 26 -9.929 6.863 -14.305 184 HG SER 26 HG SER 26 -7.394 7.669 -13.516 185 H LYS 27 H LYS 27 -9.170 3.559 -11.390 186 HA LYS 27 HA LYS 27 -11.400 4.706 -9.967 187 1HB LYS 27 2HB LYS 27 -9.572 2.489 -8.975 188 2HB LYS 27 1HB LYS 27 -11.202 2.829 -8.431 189 1HG LYS 27 2HG LYS 27 -11.824 2.272 -10.960 190 2HG LYS 27 1HG LYS 27 -10.237 1.621 -10.930 191 1HD LYS 27 2HD LYS 27 -10.735 0.097 -9.179 192 2HD LYS 27 1HD LYS 27 -12.359 0.775 -9.003 193 1HE LYS 27 2HE LYS 27 -11.235 -0.611 -11.426 194 2HE LYS 27 1HE LYS 27 -12.479 -1.238 -10.344 195 1HZ LYS 27 1HZ LYS 27 -12.712 1.158 -12.079 196 2HZ LYS 27 2HZ LYS 27 -13.929 0.628 -11.079 197 3HZ LYS 27 3HZ LYS 27 -13.454 -0.299 -12.401 198 HA PRO 28 HA PRO 28 -9.338 7.105 -6.710 199 1HB PRO 28 2HB PRO 28 -10.422 5.150 -4.732 200 2HB PRO 28 1HB PRO 28 -10.519 6.916 -4.713 201 1HG PRO 28 2HG PRO 28 -12.649 5.502 -5.364 202 2HG PRO 28 1HG PRO 28 -12.241 6.963 -6.283 203 1HD PRO 28 2HD PRO 28 -11.851 4.097 -7.005 204 2HD PRO 28 1HD PRO 28 -12.355 5.453 -8.038 205 H ILE 29 H ILE 29 -7.488 6.937 -5.300 206 HA ILE 29 HA ILE 29 -6.064 4.463 -5.926 207 HB ILE 29 HB ILE 29 -4.776 7.184 -5.428 208 1HG1 ILE 29 2HG1 ILE 29 -4.256 7.142 -7.897 209 2HG1 ILE 29 1HG1 ILE 29 -5.454 5.865 -8.081 210 1HG2 ILE 29 1HG2 ILE 29 -3.356 5.240 -5.023 211 2HG2 ILE 29 2HG2 ILE 29 -2.820 6.142 -6.444 212 3HG2 ILE 29 3HG2 ILE 29 -3.731 4.644 -6.635 213 1HD1 ILE 29 1HD1 ILE 29 -5.877 8.718 -7.228 214 2HD1 ILE 29 2HD1 ILE 29 -7.145 7.489 -7.251 215 3HD1 ILE 29 3HD1 ILE 29 -6.355 7.975 -8.755 216 H TYR 30 H TYR 30 -5.343 3.235 -4.290 217 HA TYR 30 HA TYR 30 -5.148 4.386 -1.585 218 1HB TYR 30 2HB TYR 30 -6.679 1.903 -2.355 219 2HB TYR 30 1HB TYR 30 -6.271 2.319 -0.704 220 HD1 TYR 30 1HD TYR 30 -8.666 2.656 -3.311 221 HD2 TYR 30 2HD TYR 30 -7.172 4.571 0.177 222 HE1 TYR 30 1HE TYR 30 -10.748 3.952 -3.132 223 HE2 TYR 30 2HE TYR 30 -9.244 5.869 0.359 224 HH TYR 30 HH TYR 30 -11.003 6.639 -1.108 225 H VAL 31 H VAL 31 -3.381 3.790 -0.527 226 HA VAL 31 HA VAL 31 -1.701 1.614 -1.653 227 HB VAL 31 HB VAL 31 -0.850 4.111 -0.130 228 1HG1 VAL 31 1HG1 VAL 31 1.436 3.447 -0.640 229 2HG1 VAL 31 2HG1 VAL 31 0.854 1.962 -1.389 230 3HG1 VAL 31 3HG1 VAL 31 0.648 2.213 0.353 231 1HG2 VAL 31 1HG2 VAL 31 -1.566 4.521 -2.374 232 2HG2 VAL 31 2HG2 VAL 31 -0.440 3.261 -2.932 233 3HG2 VAL 31 3HG2 VAL 31 0.193 4.752 -2.200 234 H ALA 32 H ALA 32 -0.864 0.101 -0.234 235 HA ALA 32 HA ALA 32 -1.775 0.415 2.517 236 1HB ALA 32 1HB ALA 32 -2.204 -1.932 2.634 237 2HB ALA 32 2HB ALA 32 -1.654 -2.150 0.975 238 3HB ALA 32 3HB ALA 32 -3.108 -1.222 1.301 239 H ILE 33 H ILE 33 -0.450 0.049 4.065 240 HA ILE 33 HA ILE 33 2.166 -1.233 3.607 241 HB ILE 33 HB ILE 33 1.648 1.270 5.263 242 1HG1 ILE 33 2HG1 ILE 33 3.125 0.977 2.653 243 2HG1 ILE 33 1HG1 ILE 33 1.584 1.786 2.865 244 1HG2 ILE 33 1HG2 ILE 33 4.072 1.407 5.481 245 2HG2 ILE 33 2HG2 ILE 33 4.248 -0.161 4.707 246 3HG2 ILE 33 3HG2 ILE 33 3.402 -0.018 6.268 247 1HD1 ILE 33 1HD1 ILE 33 3.371 3.394 2.696 248 2HD1 ILE 33 2HD1 ILE 33 4.219 2.618 4.033 249 3HD1 ILE 33 3HD1 ILE 33 2.685 3.439 4.323 250 H LYS 34 H LYS 34 2.114 -2.995 4.897 251 HA LYS 34 HA LYS 34 1.606 -4.455 6.550 252 1HB LYS 34 2HB LYS 34 1.829 -1.898 8.055 253 2HB LYS 34 1HB LYS 34 1.199 -3.306 8.917 254 1HG LYS 34 2HG LYS 34 3.845 -3.122 7.494 255 2HG LYS 34 1HG LYS 34 3.610 -2.915 9.231 256 1HD LYS 34 2HD LYS 34 2.662 -5.212 9.335 257 2HD LYS 34 1HD LYS 34 3.032 -5.415 7.625 258 1HE LYS 34 2HE LYS 34 5.402 -5.068 8.096 259 2HE LYS 34 1HE LYS 34 5.031 -4.850 9.805 260 1HZ LYS 34 1HZ LYS 34 4.566 -7.344 8.244 261 2HZ LYS 34 2HZ LYS 34 4.229 -7.120 9.885 262 3HZ LYS 34 3HZ LYS 34 5.818 -7.065 9.352 263 H GLY 35 H GLY 35 -0.524 -3.316 4.940 264 1HA GLY 35 2HA GLY 35 -2.724 -4.027 4.861 265 2HA GLY 35 1HA GLY 35 -2.726 -4.266 6.577 266 H ARG 36 H ARG 36 -1.343 -1.331 6.217 267 HA ARG 36 HA ARG 36 -3.832 0.001 6.891 268 1HB ARG 36 2HB ARG 36 -0.997 1.056 6.832 269 2HB ARG 36 1HB ARG 36 -2.386 1.946 7.427 270 1HG ARG 36 2HG ARG 36 -2.704 0.272 9.177 271 2HG ARG 36 1HG ARG 36 -1.319 -0.613 8.549 272 1HD ARG 36 2HD ARG 36 -0.636 0.666 10.476 273 2HD ARG 36 1HD ARG 36 0.114 1.318 9.031 274 HE ARG 36 HE ARG 36 -1.325 3.174 9.135 275 1HH1 ARG 36 1HH1 ARG 36 -1.741 1.004 11.887 276 2HH1 ARG 36 2HH1 ARG 36 -2.211 2.184 12.993 277 1HH2 ARG 36 1HH2 ARG 36 -1.995 4.905 10.673 278 2HH2 ARG 36 2HH2 ARG 36 -2.379 4.491 12.255 279 H VAL 37 H VAL 37 -5.040 0.615 5.271 280 HA VAL 37 HA VAL 37 -3.808 1.398 2.782 281 HB VAL 37 HB VAL 37 -6.697 0.838 3.518 282 1HG1 VAL 37 1HG1 VAL 37 -7.217 1.289 1.150 283 2HG1 VAL 37 2HG1 VAL 37 -5.539 1.835 0.941 284 3HG1 VAL 37 3HG1 VAL 37 -6.638 2.748 1.971 285 1HG2 VAL 37 1HG2 VAL 37 -5.196 -1.060 3.086 286 2HG2 VAL 37 2HG2 VAL 37 -4.821 -0.329 1.512 287 3HG2 VAL 37 3HG2 VAL 37 -6.452 -0.895 1.846 288 H PHE 38 H PHE 38 -3.265 3.308 2.413 289 HA PHE 38 HA PHE 38 -4.531 5.572 3.809 290 1HB PHE 38 2HB PHE 38 -2.000 5.480 2.195 291 2HB PHE 38 1HB PHE 38 -2.550 6.820 3.188 292 HD1 PHE 38 1HD PHE 38 -2.632 6.479 5.690 293 HD2 PHE 38 2HD PHE 38 -0.681 3.783 3.057 294 HE1 PHE 38 1HE PHE 38 -1.346 5.566 7.574 295 HE2 PHE 38 2HE PHE 38 0.599 2.868 4.923 296 HZ PHE 38 HZ PHE 38 0.276 3.747 7.188 297 H ASP 39 H ASP 39 -5.398 7.213 2.600 298 HA ASP 39 HA ASP 39 -5.982 6.580 -0.175 299 1HB ASP 39 2HB ASP 39 -7.802 7.490 1.213 300 2HB ASP 39 1HB ASP 39 -6.863 8.955 1.490 301 H VAL 40 H VAL 40 -4.780 7.232 -1.770 302 HA VAL 40 HA VAL 40 -3.182 9.682 -1.439 303 HB VAL 40 HB VAL 40 -1.606 8.678 -3.160 304 1HG1 VAL 40 1HG1 VAL 40 -1.835 7.183 -0.537 305 2HG1 VAL 40 2HG1 VAL 40 -1.010 8.734 -0.810 306 3HG1 VAL 40 3HG1 VAL 40 -0.422 7.273 -1.602 307 1HG2 VAL 40 1HG2 VAL 40 -1.585 6.265 -3.383 308 2HG2 VAL 40 2HG2 VAL 40 -3.079 6.974 -4.015 309 3HG2 VAL 40 3HG2 VAL 40 -3.075 6.160 -2.446 310 H THR 41 H THR 41 -5.898 9.229 -2.468 311 HA THR 41 HA THR 41 -5.907 9.293 -5.258 312 HB THR 41 HB THR 41 -8.030 10.359 -3.351 313 HG1 THR 41 1HG THR 41 -7.969 8.234 -2.886 314 1HG2 THR 41 1HG2 THR 41 -9.585 9.936 -5.222 315 2HG2 THR 41 2HG2 THR 41 -8.217 9.445 -6.230 316 3HG2 THR 41 3HG2 THR 41 -8.349 11.114 -5.683 317 H THR 42 H THR 42 -5.304 11.861 -2.918 318 HA THR 42 HA THR 42 -5.775 13.982 -4.778 319 HB THR 42 HB THR 42 -4.610 15.411 -3.091 320 HG1 THR 42 1HG THR 42 -4.583 13.497 -1.136 321 1HG2 THR 42 1HG2 THR 42 -6.309 15.169 -1.326 322 2HG2 THR 42 2HG2 THR 42 -6.731 13.574 -1.954 323 3HG2 THR 42 3HG2 THR 42 -7.030 15.012 -2.929 324 H GLY 43 H GLY 43 -3.201 11.844 -4.129 325 1HA GLY 43 2HA GLY 43 -1.312 13.515 -5.646 326 2HA GLY 43 1HA GLY 43 -0.862 12.214 -4.548 327 H LYS 44 H LYS 44 -3.399 12.203 -7.031 328 HA LYS 44 HA LYS 44 -2.977 9.681 -7.906 329 1HB LYS 44 2HB LYS 44 -4.927 11.114 -8.214 330 2HB LYS 44 1HB LYS 44 -4.037 12.049 -9.405 331 1HG LYS 44 2HG LYS 44 -3.792 10.030 -10.760 332 2HG LYS 44 1HG LYS 44 -4.771 9.155 -9.583 333 1HD LYS 44 2HD LYS 44 -5.627 11.486 -11.289 334 2HD LYS 44 1HD LYS 44 -6.070 9.773 -11.369 335 1HE LYS 44 2HE LYS 44 -7.199 9.923 -9.213 336 2HE LYS 44 1HE LYS 44 -6.721 11.611 -9.068 337 1HZ LYS 44 1HZ LYS 44 -9.002 11.392 -9.821 338 2HZ LYS 44 2HZ LYS 44 -8.512 10.526 -11.171 339 3HZ LYS 44 3HZ LYS 44 -8.055 12.135 -10.991 340 H SER 45 H SER 45 -1.527 12.719 -9.052 341 HA SER 45 HA SER 45 -0.382 11.666 -11.384 342 1HB SER 45 2HB SER 45 0.407 14.044 -9.727 343 2HB SER 45 1HB SER 45 0.950 13.735 -11.375 344 HG SER 45 HG SER 45 -0.748 14.958 -11.711 345 H PHE 46 H PHE 46 0.513 11.238 -8.117 346 HA PHE 46 HA PHE 46 3.257 10.480 -8.809 347 1HB PHE 46 2HB PHE 46 1.869 10.651 -6.129 348 2HB PHE 46 1HB PHE 46 3.524 10.129 -6.357 349 HD1 PHE 46 1HD PHE 46 1.227 12.962 -6.311 350 HD2 PHE 46 2HD PHE 46 5.256 11.729 -6.887 351 HE1 PHE 46 1HE PHE 46 1.978 15.291 -6.064 352 HE2 PHE 46 2HE PHE 46 6.009 14.045 -6.644 353 HZ PHE 46 HZ PHE 46 4.376 15.828 -6.228 354 H TYR 47 H TYR 47 0.216 9.184 -7.535 355 HA TYR 47 HA TYR 47 1.418 6.548 -7.515 356 1HB TYR 47 2HB TYR 47 -1.166 7.527 -6.311 357 2HB TYR 47 1HB TYR 47 -0.502 5.904 -6.136 358 HD1 TYR 47 1HD TYR 47 1.344 5.485 -4.640 359 HD2 TYR 47 2HD TYR 47 -0.086 9.435 -5.231 360 HE1 TYR 47 1HE TYR 47 2.672 6.256 -2.721 361 HE2 TYR 47 2HE TYR 47 1.224 10.218 -3.325 362 HH TYR 47 HH TYR 47 3.634 8.310 -1.863 363 H GLY 48 H GLY 48 -1.838 7.778 -8.398 364 1HA GLY 48 2HA GLY 48 -2.411 5.339 -9.768 365 2HA GLY 48 1HA GLY 48 -3.440 6.739 -9.662 366 H SER 49 H SER 49 -1.004 8.264 -10.947 367 HA SER 49 HA SER 49 -1.596 7.235 -13.602 368 1HB SER 49 2HB SER 49 -1.775 10.130 -12.794 369 2HB SER 49 1HB SER 49 -1.961 9.505 -14.434 370 HG SER 49 HG SER 49 -3.573 8.068 -13.070 371 H GLY 50 H GLY 50 0.352 6.355 -13.730 372 1HA GLY 50 2HA GLY 50 2.539 6.229 -14.475 373 2HA GLY 50 1HA GLY 50 2.198 7.771 -15.228 374 H GLY 51 H GLY 51 2.414 6.996 -11.806 375 1HA GLY 51 2HA GLY 51 4.469 9.047 -11.614 376 2HA GLY 51 1HA GLY 51 3.523 8.413 -10.279 377 H ASP 52 H ASP 52 6.122 8.461 -9.756 378 HA ASP 52 HA ASP 52 7.411 5.977 -10.477 379 1HB ASP 52 2HB ASP 52 8.802 7.914 -9.853 380 2HB ASP 52 1HB ASP 52 8.079 7.930 -8.248 381 H TYR 53 H TYR 53 5.258 7.075 -8.127 382 HA TYR 53 HA TYR 53 5.583 4.810 -6.352 383 1HB TYR 53 2HB TYR 53 3.689 7.162 -6.272 384 2HB TYR 53 1HB TYR 53 3.854 5.949 -5.017 385 HD1 TYR 53 1HD TYR 53 5.501 8.812 -6.673 386 HD2 TYR 53 2HD TYR 53 5.634 6.071 -3.424 387 HE1 TYR 53 1HE TYR 53 7.198 10.212 -5.569 388 HE2 TYR 53 2HE TYR 53 7.334 7.459 -2.314 389 HH TYR 53 HH TYR 53 8.011 10.622 -3.327 390 H SER 54 H SER 54 4.392 4.880 -9.242 391 HA SER 54 HA SER 54 1.614 4.471 -9.066 392 1HB SER 54 2HB SER 54 2.789 5.192 -11.129 393 2HB SER 54 1HB SER 54 3.486 3.582 -11.272 394 HG SER 54 HG SER 54 0.738 3.714 -10.998 395 H MET 55 H MET 55 4.200 2.366 -8.388 396 HA MET 55 HA MET 55 2.732 -0.096 -8.934 397 1HB MET 55 2HB MET 55 5.307 0.193 -7.402 398 2HB MET 55 1HB MET 55 4.686 -1.246 -8.193 399 1HG MET 55 2HG MET 55 5.713 1.244 -9.472 400 2HG MET 55 1HG MET 55 6.467 -0.342 -9.479 401 1HE MET 55 1HE MET 55 6.082 1.342 -12.096 402 2HE MET 55 2HE MET 55 5.518 0.096 -13.208 403 3HE MET 55 3HE MET 55 6.796 -0.268 -12.051 404 H PHE 56 H PHE 56 3.110 2.130 -6.454 405 HA PHE 56 HA PHE 56 2.500 0.277 -4.280 406 1HB PHE 56 2HB PHE 56 3.051 3.263 -4.240 407 2HB PHE 56 1HB PHE 56 3.012 2.186 -2.850 408 HD1 PHE 56 1HD PHE 56 4.958 0.986 -2.208 409 HD2 PHE 56 2HD PHE 56 4.888 3.016 -5.923 410 HE1 PHE 56 1HE PHE 56 7.365 0.598 -2.451 411 HE2 PHE 56 2HE PHE 56 7.304 2.644 -6.185 412 HZ PHE 56 HZ PHE 56 8.552 1.425 -4.444 413 H ALA 57 H ALA 57 1.131 2.369 -6.473 414 HA ALA 57 HA ALA 57 -0.738 3.930 -5.284 415 1HB ALA 57 1HB ALA 57 -1.806 4.086 -7.410 416 2HB ALA 57 2HB ALA 57 -1.021 2.600 -7.940 417 3HB ALA 57 3HB ALA 57 -0.055 4.033 -7.603 418 H GLY 58 H GLY 58 -1.258 0.530 -6.127 419 1HA GLY 58 2HA GLY 58 -3.676 0.617 -4.471 420 2HA GLY 58 1HA GLY 58 -3.859 0.068 -6.139 421 H LYS 59 H LYS 59 -1.343 -0.372 -3.796 422 HA LYS 59 HA LYS 59 -1.714 -3.264 -3.876 423 1HB LYS 59 2HB LYS 59 -0.298 -2.637 -5.800 424 2HB LYS 59 1HB LYS 59 0.726 -1.732 -4.726 425 1HG LYS 59 2HG LYS 59 1.746 -3.771 -5.421 426 2HG LYS 59 1HG LYS 59 1.473 -3.792 -3.682 427 1HD LYS 59 2HD LYS 59 1.073 -5.902 -4.891 428 2HD LYS 59 1HD LYS 59 -0.292 -5.378 -3.935 429 1HE LYS 59 2HE LYS 59 -0.971 -6.230 -6.173 430 2HE LYS 59 1HE LYS 59 -1.373 -4.528 -6.008 431 1HZ LYS 59 1HZ LYS 59 -0.419 -5.027 -8.143 432 2HZ LYS 59 2HZ LYS 59 1.032 -5.564 -7.524 433 3HZ LYS 59 3HZ LYS 59 0.571 -3.964 -7.350 434 H ASP 60 H ASP 60 -1.146 -4.086 -1.843 435 HA ASP 60 HA ASP 60 0.062 -2.337 0.095 436 1HB ASP 60 2HB ASP 60 -1.327 -4.373 0.783 437 2HB ASP 60 1HB ASP 60 -0.006 -5.369 0.188 438 H ALA 61 H ALA 61 1.941 -1.684 -0.198 439 HA ALA 61 HA ALA 61 3.750 -3.310 -1.825 440 1HB ALA 61 1HB ALA 61 3.048 -1.220 -2.769 441 2HB ALA 61 2HB ALA 61 4.777 -1.183 -2.409 442 3HB ALA 61 3HB ALA 61 3.624 -0.368 -1.345 443 H SER 62 H SER 62 3.424 -3.570 1.115 444 HA SER 62 HA SER 62 5.372 -2.200 2.522 445 1HB SER 62 2HB SER 62 4.414 -5.026 3.038 446 2HB SER 62 1HB SER 62 5.215 -3.961 4.196 447 HG SER 62 HG SER 62 2.667 -3.755 3.040 448 H ARG 63 H ARG 63 5.755 -5.203 0.637 449 HA ARG 63 HA ARG 63 8.496 -5.559 1.440 450 1HB ARG 63 2HB ARG 63 7.147 -7.460 0.581 451 2HB ARG 63 1HB ARG 63 7.100 -6.686 -0.999 452 1HG ARG 63 2HG ARG 63 9.573 -6.819 -1.091 453 2HG ARG 63 1HG ARG 63 9.542 -7.702 0.430 454 1HD ARG 63 2HD ARG 63 8.277 -8.576 -2.165 455 2HD ARG 63 1HD ARG 63 9.768 -9.203 -1.474 456 HE ARG 63 HE ARG 63 7.627 -9.485 0.349 457 1HH1 ARG 63 1HH1 ARG 63 9.036 -10.890 -2.586 458 2HH1 ARG 63 2HH1 ARG 63 8.296 -12.413 -2.390 459 1HH2 ARG 63 1HH2 ARG 63 6.564 -11.666 0.605 460 2HH2 ARG 63 2HH2 ARG 63 6.901 -12.846 -0.554 461 H ALA 64 H ALA 64 6.843 -4.037 -1.162 462 HA ALA 64 HA ALA 64 9.064 -3.592 -2.930 463 1HB ALA 64 1HB ALA 64 6.746 -3.401 -3.754 464 2HB ALA 64 2HB ALA 64 7.659 -1.927 -4.048 465 3HB ALA 64 3HB ALA 64 6.521 -2.003 -2.708 466 H LEU 65 H LEU 65 7.559 -1.846 -0.406 467 HA LEU 65 HA LEU 65 8.968 0.545 -0.498 468 1HB LEU 65 2HB LEU 65 7.554 -1.001 1.564 469 2HB LEU 65 1HB LEU 65 8.340 0.477 2.014 470 HG LEU 65 HG LEU 65 6.039 0.149 0.045 471 1HD1 LEU 65 1HD1 LEU 65 5.371 0.000 2.388 472 2HD1 LEU 65 2HD1 LEU 65 4.811 1.493 1.629 473 3HD1 LEU 65 3HD1 LEU 65 6.178 1.534 2.723 474 1HD2 LEU 65 1HD2 LEU 65 6.051 2.598 -0.045 475 2HD2 LEU 65 2HD2 LEU 65 7.553 1.903 -0.694 476 3HD2 LEU 65 3HD2 LEU 65 7.505 2.554 0.954 477 H GLY 66 H GLY 66 9.930 -2.549 0.828 478 1HA GLY 66 2HA GLY 66 12.221 -1.232 2.039 479 2HA GLY 66 1HA GLY 66 11.847 -2.915 2.224 480 H LYS 67 H LYS 67 11.399 -2.808 -0.832 481 HA LYS 67 HA LYS 67 14.178 -3.498 -1.451 482 1HB LYS 67 2HB LYS 67 11.683 -3.940 -3.083 483 2HB LYS 67 1HB LYS 67 13.263 -4.631 -3.395 484 1HG LYS 67 2HG LYS 67 11.496 -5.212 -1.025 485 2HG LYS 67 1HG LYS 67 11.730 -6.265 -2.411 486 1HD LYS 67 2HD LYS 67 13.857 -5.424 -0.430 487 2HD LYS 67 1HD LYS 67 13.041 -6.985 -0.461 488 1HE LYS 67 2HE LYS 67 13.906 -7.359 -2.699 489 2HE LYS 67 1HE LYS 67 14.808 -5.848 -2.619 490 1HZ LYS 67 1HZ LYS 67 16.273 -7.648 -2.018 491 2HZ LYS 67 2HZ LYS 67 15.147 -8.241 -0.937 492 3HZ LYS 67 3HZ LYS 67 15.917 -6.777 -0.593 493 H MET 68 H MET 68 11.928 -0.963 -1.921 494 HA MET 68 HA MET 68 11.760 0.851 -3.236 495 1HB MET 68 2HB MET 68 14.722 0.352 -3.521 496 2HB MET 68 1HB MET 68 13.951 1.774 -4.223 497 1HG MET 68 2HG MET 68 14.081 0.995 -1.327 498 2HG MET 68 1HG MET 68 15.023 2.265 -2.114 499 1HE MET 68 1HE MET 68 12.824 3.543 -4.069 500 2HE MET 68 2HE MET 68 13.931 4.515 -3.100 501 3HE MET 68 3HE MET 68 12.199 4.848 -3.063 502 H SER 69 H SER 69 11.196 -1.650 -4.262 503 HA SER 69 HA SER 69 12.040 -1.547 -7.014 504 1HB SER 69 2HB SER 69 12.562 -3.465 -6.295 505 2HB SER 69 1HB SER 69 11.101 -3.836 -5.307 506 HG SER 69 HG SER 69 11.756 -4.535 -7.796 507 H LYS 70 H LYS 70 10.666 -1.989 -8.605 508 HA LYS 70 HA LYS 70 8.074 -0.679 -8.225 509 1HB LYS 70 2HB LYS 70 10.128 -0.308 -10.404 510 2HB LYS 70 1HB LYS 70 8.671 0.656 -10.137 511 1HG LYS 70 2HG LYS 70 10.490 0.281 -7.975 512 2HG LYS 70 1HG LYS 70 11.199 1.406 -8.976 513 1HD LYS 70 2HD LYS 70 8.813 2.622 -8.641 514 2HD LYS 70 1HD LYS 70 8.636 1.419 -7.367 515 1HE LYS 70 2HE LYS 70 9.477 3.499 -6.435 516 2HE LYS 70 1HE LYS 70 10.695 2.238 -6.307 517 1HZ LYS 70 1HZ LYS 70 11.671 4.309 -7.023 518 2HZ LYS 70 2HZ LYS 70 10.620 4.444 -8.302 519 3HZ LYS 70 3HZ LYS 70 11.783 3.213 -8.301 520 H ASN 71 H ASN 71 9.632 -3.440 -9.000 521 HA ASN 71 HA ASN 71 7.869 -4.160 -11.209 522 1HB ASN 71 2HB ASN 71 9.417 -6.198 -11.422 523 2HB ASN 71 1HB ASN 71 10.132 -4.651 -11.832 524 1HD2 ASN 71 1HD2 ASN 71 10.039 -7.207 -9.510 525 2HD2 ASN 71 2HD2 ASN 71 11.486 -6.811 -8.657 526 H GLU 72 H GLU 72 6.416 -5.829 -11.014 527 HA GLU 72 HA GLU 72 5.235 -6.171 -8.505 528 1HB GLU 72 2HB GLU 72 4.879 -7.811 -11.001 529 2HB GLU 72 1HB GLU 72 3.893 -8.000 -9.564 530 1HG GLU 72 2HG GLU 72 4.099 -5.571 -11.316 531 2HG GLU 72 1HG GLU 72 2.735 -6.673 -11.180 532 H GLU 73 H GLU 73 7.724 -7.956 -9.975 533 HA GLU 73 HA GLU 73 7.623 -10.407 -8.646 534 1HB GLU 73 2HB GLU 73 10.154 -8.838 -9.154 535 2HB GLU 73 1HB GLU 73 9.997 -10.563 -8.938 536 1HG GLU 73 2HG GLU 73 8.811 -10.770 -11.023 537 2HG GLU 73 1HG GLU 73 8.846 -9.018 -11.237 538 H ASP 74 H ASP 74 8.719 -7.224 -7.485 539 HA ASP 74 HA ASP 74 9.277 -8.434 -4.876 540 1HB ASP 74 2HB ASP 74 10.342 -5.863 -6.051 541 2HB ASP 74 1HB ASP 74 10.603 -6.371 -4.389 542 H VAL 75 H VAL 75 6.975 -6.630 -6.481 543 HA VAL 75 HA VAL 75 6.290 -5.098 -4.128 544 HB VAL 75 HB VAL 75 4.566 -5.333 -6.627 545 1HG1 VAL 75 1HG1 VAL 75 3.468 -4.525 -4.667 546 2HG1 VAL 75 2HG1 VAL 75 3.669 -3.222 -5.870 547 3HG1 VAL 75 3HG1 VAL 75 4.707 -3.288 -4.453 548 1HG2 VAL 75 1HG2 VAL 75 5.534 -3.242 -7.372 549 2HG2 VAL 75 2HG2 VAL 75 6.788 -4.495 -7.237 550 3HG2 VAL 75 3HG2 VAL 75 6.635 -3.251 -5.991 551 H SER 76 H SER 76 5.123 -5.782 -2.561 552 HA SER 76 HA SER 76 3.293 -7.933 -2.692 553 1HB SER 76 2HB SER 76 6.135 -8.275 -1.997 554 2HB SER 76 1HB SER 76 4.950 -9.391 -1.328 555 HG SER 76 HG SER 76 4.824 -8.924 -4.047 556 HA PRO 77 HA PRO 77 2.762 -6.188 1.422 557 1HB PRO 77 2HB PRO 77 1.166 -7.989 2.572 558 2HB PRO 77 1HB PRO 77 0.624 -7.007 1.207 559 1HG PRO 77 2HG PRO 77 1.483 -9.856 1.276 560 2HG PRO 77 1HG PRO 77 0.215 -9.095 0.306 561 1HD PRO 77 2HD PRO 77 2.783 -9.723 -0.591 562 2HD PRO 77 1HD PRO 77 1.666 -8.584 -1.367 563 H SER 78 H SER 78 4.224 -9.386 1.229 564 HA SER 78 HA SER 78 4.693 -9.452 4.106 565 1HB SER 78 2HB SER 78 5.497 -11.727 3.637 566 2HB SER 78 1HB SER 78 3.811 -11.304 3.216 567 HG SER 78 HG SER 78 4.472 -12.321 1.465 568 H LEU 79 H LEU 79 6.580 -9.833 5.107 569 HA LEU 79 HA LEU 79 8.800 -8.514 3.690 570 1HB LEU 79 2HB LEU 79 8.321 -8.456 6.658 571 2HB LEU 79 1HB LEU 79 9.366 -7.443 5.685 572 HG LEU 79 HG LEU 79 6.399 -7.351 5.921 573 1HD1 LEU 79 1HD1 LEU 79 8.487 -5.281 6.472 574 2HD1 LEU 79 2HD1 LEU 79 7.516 -6.178 7.644 575 3HD1 LEU 79 3HD1 LEU 79 6.747 -5.034 6.555 576 1HD2 LEU 79 1HD2 LEU 79 8.075 -5.940 3.833 577 2HD2 LEU 79 2HD2 LEU 79 6.386 -5.570 4.236 578 3HD2 LEU 79 3HD2 LEU 79 6.800 -7.160 3.619 579 H GLU 80 H GLU 80 8.000 -11.375 4.182 580 HA GLU 80 HA GLU 80 9.741 -12.586 6.006 581 1HB GLU 80 2HB GLU 80 9.238 -14.658 4.686 582 2HB GLU 80 1HB GLU 80 7.845 -13.776 5.296 583 1HG GLU 80 2HG GLU 80 7.509 -12.791 3.079 584 2HG GLU 80 1HG GLU 80 8.904 -13.688 2.481 585 H GLY 81 H GLY 81 10.411 -11.219 2.984 586 1HA GLY 81 2HA GLY 81 12.935 -12.709 2.767 587 2HA GLY 81 1HA GLY 81 12.202 -11.751 1.487 588 H LEU 82 H LEU 82 11.848 -10.077 4.333 589 HA LEU 82 HA LEU 82 14.183 -8.454 3.737 590 1HB LEU 82 2HB LEU 82 11.417 -7.696 4.619 591 2HB LEU 82 1HB LEU 82 12.771 -6.633 4.913 592 HG LEU 82 HG LEU 82 13.134 -6.500 2.433 593 1HD1 LEU 82 1HD1 LEU 82 11.513 -7.214 0.954 594 2HD1 LEU 82 2HD1 LEU 82 10.692 -8.116 2.275 595 3HD1 LEU 82 3HD1 LEU 82 12.376 -8.502 1.802 596 1HD2 LEU 82 1HD2 LEU 82 11.816 -4.788 3.557 597 2HD2 LEU 82 2HD2 LEU 82 10.362 -5.768 3.317 598 3HD2 LEU 82 3HD2 LEU 82 11.242 -5.128 1.922 599 H THR 83 H THR 83 15.672 -8.680 5.185 600 HA THR 83 HA THR 83 14.950 -9.085 7.950 601 HB THR 83 HB THR 83 16.956 -10.289 7.035 602 HG1 THR 83 1HG THR 83 17.227 -10.009 9.159 603 1HG2 THR 83 1HG2 THR 83 18.153 -7.549 6.816 604 2HG2 THR 83 2HG2 THR 83 17.638 -8.524 5.440 605 3HG2 THR 83 3HG2 THR 83 18.980 -9.065 6.456 606 H GLU 84 H GLU 84 16.595 -7.425 9.367 607 HA GLU 84 HA GLU 84 15.108 -5.108 9.407 608 1HB GLU 84 2HB GLU 84 16.323 -5.889 11.343 609 2HB GLU 84 1HB GLU 84 17.853 -5.532 10.551 610 1HG GLU 84 2HG GLU 84 17.367 -3.172 10.598 611 2HG GLU 84 1HG GLU 84 15.771 -3.493 11.267 612 H LYS 85 H LYS 85 18.225 -5.530 7.768 613 HA LYS 85 HA LYS 85 18.776 -2.851 7.130 614 1HB LYS 85 2HB LYS 85 20.165 -3.671 5.317 615 2HB LYS 85 1HB LYS 85 20.309 -4.818 6.642 616 1HG LYS 85 2HG LYS 85 18.542 -6.177 5.539 617 2HG LYS 85 1HG LYS 85 18.578 -5.055 4.237 618 1HD LYS 85 2HD LYS 85 19.784 -6.969 3.662 619 2HD LYS 85 1HD LYS 85 20.872 -5.580 3.681 620 1HE LYS 85 2HE LYS 85 21.709 -6.253 5.903 621 2HE LYS 85 1HE LYS 85 20.618 -7.636 5.895 622 1HZ LYS 85 1HZ LYS 85 22.847 -8.286 5.293 623 2HZ LYS 85 2HZ LYS 85 22.887 -7.190 4.023 624 3HZ LYS 85 3HZ LYS 85 21.823 -8.501 3.980 625 H GLU 86 H GLU 86 16.584 -5.208 5.468 626 HA GLU 86 HA GLU 86 16.086 -3.609 3.233 627 1HB GLU 86 2HB GLU 86 14.829 -5.998 4.483 628 2HB GLU 86 1HB GLU 86 14.425 -5.362 2.913 629 1HG GLU 86 2HG GLU 86 17.084 -6.526 3.756 630 2HG GLU 86 1HG GLU 86 15.865 -7.348 2.795 631 H ILE 87 H ILE 87 14.523 -4.594 6.223 632 HA ILE 87 HA ILE 87 12.065 -3.406 5.755 633 HB ILE 87 HB ILE 87 13.367 -3.905 8.439 634 1HG1 ILE 87 2HG1 ILE 87 11.424 -5.584 6.836 635 2HG1 ILE 87 1HG1 ILE 87 13.117 -5.959 7.127 636 1HG2 ILE 87 1HG2 ILE 87 11.572 -2.303 8.536 637 2HG2 ILE 87 2HG2 ILE 87 11.032 -3.846 9.262 638 3HG2 ILE 87 3HG2 ILE 87 10.555 -3.400 7.601 639 1HD1 ILE 87 1HD1 ILE 87 11.624 -7.230 8.607 640 2HD1 ILE 87 2HD1 ILE 87 11.026 -5.691 9.266 641 3HD1 ILE 87 3HD1 ILE 87 12.702 -6.148 9.497 642 H ASN 88 H ASN 88 15.024 -2.125 7.171 643 HA ASN 88 HA ASN 88 14.066 0.202 8.333 644 1HB ASN 88 2HB ASN 88 16.657 -0.277 6.942 645 2HB ASN 88 1HB ASN 88 16.247 1.286 7.637 646 1HD2 ASN 88 1HD2 ASN 88 18.385 -0.546 8.393 647 2HD2 ASN 88 2HD2 ASN 88 18.113 -0.976 10.042 648 H THR 89 H THR 89 14.666 -0.323 4.957 649 HA THR 89 HA THR 89 14.367 2.329 4.128 650 HB THR 89 HB THR 89 13.903 -0.304 2.751 651 HG1 THR 89 1HG THR 89 16.132 1.399 3.108 652 1HG2 THR 89 1HG2 THR 89 12.835 1.454 1.591 653 2HG2 THR 89 2HG2 THR 89 14.297 0.942 0.712 654 3HG2 THR 89 3HG2 THR 89 14.298 2.456 1.675 655 H LEU 90 H LEU 90 12.076 -0.369 4.322 656 HA LEU 90 HA LEU 90 9.753 1.065 3.505 657 1HB LEU 90 2HB LEU 90 9.383 -1.069 3.196 658 2HB LEU 90 1HB LEU 90 10.466 -1.608 4.428 659 HG LEU 90 HG LEU 90 8.535 -0.804 6.016 660 1HD1 LEU 90 1HD1 LEU 90 6.979 -1.228 3.524 661 2HD1 LEU 90 2HD1 LEU 90 7.160 0.271 4.439 662 3HD1 LEU 90 3HD1 LEU 90 6.324 -1.106 5.157 663 1HD2 LEU 90 1HD2 LEU 90 9.327 -3.026 5.875 664 2HD2 LEU 90 2HD2 LEU 90 8.416 -3.295 4.388 665 3HD2 LEU 90 3HD2 LEU 90 7.560 -3.033 5.920 666 H ASN 91 H ASN 91 11.207 0.233 6.526 667 HA ASN 91 HA ASN 91 9.304 0.968 8.411 668 1HB ASN 91 2HB ASN 91 11.590 -0.154 8.671 669 2HB ASN 91 1HB ASN 91 12.271 1.456 8.641 670 1HD2 ASN 91 1HD2 ASN 91 10.515 -0.870 10.379 671 2HD2 ASN 91 2HD2 ASN 91 10.532 -0.147 11.918 672 H ASP 92 H ASP 92 11.632 2.862 6.620 673 HA ASP 92 HA ASP 92 11.059 5.431 7.712 674 1HB ASP 92 2HB ASP 92 13.118 4.970 6.460 675 2HB ASP 92 1HB ASP 92 12.181 4.585 5.027 676 H TRP 93 H TRP 93 10.056 3.741 4.787 677 HA TRP 93 HA TRP 93 8.259 5.595 3.726 678 1HB TRP 93 2HB TRP 93 8.529 2.676 3.479 679 2HB TRP 93 1HB TRP 93 7.209 3.483 2.676 680 HD1 TRP 93 HD TRP 93 10.507 2.247 1.919 681 HE1 TRP 93 1HE TRP 93 11.578 3.444 -0.091 682 HE3 TRP 93 3HE TRP 93 7.453 6.331 1.719 683 HZ2 TRP 93 2HZ TRP 93 11.179 5.829 -1.543 684 HZ3 TRP 93 3HZ TRP 93 7.869 8.029 -0.005 685 HH2 TRP 93 HH TRP 93 9.688 7.785 -1.599 686 H GLU 94 H GLU 94 7.503 3.045 6.021 687 HA GLU 94 HA GLU 94 4.729 3.211 6.091 688 1HB GLU 94 2HB GLU 94 6.547 3.062 8.494 689 2HB GLU 94 1HB GLU 94 4.858 2.602 8.456 690 1HG GLU 94 2HG GLU 94 5.363 0.810 6.950 691 2HG GLU 94 1HG GLU 94 7.068 1.236 6.917 692 H THR 95 H THR 95 7.080 5.140 7.583 693 HA THR 95 HA THR 95 5.394 6.756 9.215 694 HB THR 95 HB THR 95 8.187 7.330 8.252 695 HG1 THR 95 1HG THR 95 8.559 5.465 9.317 696 1HG2 THR 95 1HG2 THR 95 8.383 8.494 10.425 697 2HG2 THR 95 2HG2 THR 95 6.689 8.127 10.765 698 3HG2 THR 95 3HG2 THR 95 7.110 9.190 9.422 699 H LYS 96 H LYS 96 6.637 7.006 5.959 700 HA LYS 96 HA LYS 96 6.333 9.853 5.730 701 1HB LYS 96 2HB LYS 96 6.926 7.715 3.684 702 2HB LYS 96 1HB LYS 96 7.014 9.448 3.393 703 1HG LYS 96 2HG LYS 96 8.617 8.016 5.476 704 2HG LYS 96 1HG LYS 96 9.254 8.332 3.883 705 1HD LYS 96 2HD LYS 96 8.895 10.765 4.296 706 2HD LYS 96 1HD LYS 96 8.334 10.372 5.921 707 1HE LYS 96 2HE LYS 96 10.669 11.086 5.914 708 2HE LYS 96 1HE LYS 96 10.502 9.417 6.456 709 1HZ LYS 96 1HZ LYS 96 11.231 8.646 4.325 710 2HZ LYS 96 2HZ LYS 96 12.358 9.737 4.894 711 3HZ LYS 96 3HZ LYS 96 11.271 10.206 3.689 712 H PHE 97 H PHE 97 4.658 7.002 4.879 713 HA PHE 97 HA PHE 97 2.629 8.371 3.436 714 1HB PHE 97 2HB PHE 97 3.112 5.596 4.311 715 2HB PHE 97 1HB PHE 97 1.532 6.040 3.719 716 HD1 PHE 97 1HD PHE 97 1.156 6.323 1.394 717 HD2 PHE 97 2HD PHE 97 5.113 5.757 2.835 718 HE1 PHE 97 1HE PHE 97 1.922 5.952 -0.890 719 HE2 PHE 97 2HE PHE 97 5.900 5.382 0.530 720 HZ PHE 97 HZ PHE 97 4.311 5.478 -1.337 721 H GLU 98 H GLU 98 2.913 6.775 6.588 722 HA GLU 98 HA GLU 98 0.220 6.915 7.328 723 1HB GLU 98 2HB GLU 98 2.389 5.654 8.261 724 2HB GLU 98 1HB GLU 98 2.375 6.992 9.387 725 1HG GLU 98 2HG GLU 98 0.186 4.986 8.946 726 2HG GLU 98 1HG GLU 98 1.284 4.992 10.288 727 H ALA 99 H ALA 99 2.756 9.345 7.469 728 HA ALA 99 HA ALA 99 1.198 10.938 9.353 729 1HB ALA 99 1HB ALA 99 3.992 11.342 8.330 730 2HB ALA 99 2HB ALA 99 3.563 10.584 9.864 731 3HB ALA 99 3HB ALA 99 3.203 12.291 9.587 732 H LYS 100 H LYS 100 1.486 10.565 6.077 733 HA LYS 100 HA LYS 100 0.942 13.404 5.648 734 1HB LYS 100 2HB LYS 100 2.555 11.516 3.971 735 2HB LYS 100 1HB LYS 100 1.749 12.876 3.237 736 1HG LYS 100 2HG LYS 100 4.040 13.439 3.660 737 2HG LYS 100 1HG LYS 100 2.999 14.399 4.697 738 1HD LYS 100 2HD LYS 100 3.491 12.851 6.550 739 2HD LYS 100 1HD LYS 100 4.583 11.963 5.486 740 1HE LYS 100 2HE LYS 100 4.792 14.865 6.149 741 2HE LYS 100 1HE LYS 100 5.761 13.609 6.938 742 1HZ LYS 100 1HZ LYS 100 7.001 14.694 5.210 743 2HZ LYS 100 2HZ LYS 100 5.817 14.403 4.067 744 3HZ LYS 100 3HZ LYS 100 6.705 13.124 4.698 745 H TYR 101 H TYR 101 -0.116 10.181 5.131 746 HA TYR 101 HA TYR 101 -2.426 11.205 3.652 747 1HB TYR 101 2HB TYR 101 -1.056 8.523 3.381 748 2HB TYR 101 1HB TYR 101 -2.514 9.020 2.539 749 HD1 TYR 101 1HD TYR 101 -2.321 10.970 0.883 750 HD2 TYR 101 2HD TYR 101 1.037 8.973 2.528 751 HE1 TYR 101 1HE TYR 101 -0.913 11.849 -0.943 752 HE2 TYR 101 2HE TYR 101 2.458 9.839 0.725 753 HH TYR 101 HH TYR 101 2.159 10.606 -1.538 754 HA PRO 102 HA PRO 102 -4.614 9.444 7.017 755 1HB PRO 102 2HB PRO 102 -7.063 9.319 6.013 756 2HB PRO 102 1HB PRO 102 -6.280 10.886 6.272 757 1HG PRO 102 2HG PRO 102 -6.572 9.299 3.759 758 2HG PRO 102 1HG PRO 102 -6.834 11.030 4.026 759 1HD PRO 102 2HD PRO 102 -4.520 10.021 2.964 760 2HD PRO 102 1HD PRO 102 -4.591 11.516 3.920 761 H VAL 103 H VAL 103 -4.583 7.456 7.667 762 HA VAL 103 HA VAL 103 -4.920 5.278 5.839 763 HB VAL 103 HB VAL 103 -3.313 4.919 7.683 764 1HG1 VAL 103 1HG1 VAL 103 -4.306 6.184 9.484 765 2HG1 VAL 103 2HG1 VAL 103 -3.999 4.501 9.946 766 3HG1 VAL 103 3HG1 VAL 103 -5.643 5.018 9.568 767 1HG2 VAL 103 1HG2 VAL 103 -4.320 2.960 6.726 768 2HG2 VAL 103 2HG2 VAL 103 -5.671 3.067 7.861 769 3HG2 VAL 103 3HG2 VAL 103 -4.038 2.732 8.453 770 H VAL 104 H VAL 104 -6.722 4.948 5.073 771 HA VAL 104 HA VAL 104 -9.053 5.565 6.632 772 HB VAL 104 HB VAL 104 -10.381 5.124 4.523 773 1HG1 VAL 104 1HG1 VAL 104 -9.721 7.379 5.166 774 2HG1 VAL 104 2HG1 VAL 104 -9.652 7.197 3.414 775 3HG1 VAL 104 3HG1 VAL 104 -8.166 7.166 4.364 776 1HG2 VAL 104 1HG2 VAL 104 -8.784 3.633 3.378 777 2HG2 VAL 104 2HG2 VAL 104 -7.634 4.971 3.273 778 3HG2 VAL 104 3HG2 VAL 104 -9.157 5.053 2.394 779 H GLY 105 H GLY 105 -7.892 2.703 4.879 780 1HA GLY 105 2HA GLY 105 -9.477 1.223 6.809 781 2HA GLY 105 1HA GLY 105 -9.745 0.883 5.110 782 H ARG 106 H ARG 106 -9.109 -1.219 5.267 783 HA ARG 106 HA ARG 106 -6.257 -1.653 5.874 784 1HB ARG 106 2HB ARG 106 -6.835 -3.905 6.598 785 2HB ARG 106 1HB ARG 106 -7.493 -2.764 7.719 786 1HG ARG 106 2HG ARG 106 -9.672 -3.059 6.819 787 2HG ARG 106 1HG ARG 106 -8.995 -4.016 5.493 788 1HD ARG 106 2HD ARG 106 -9.986 -5.423 7.199 789 2HD ARG 106 1HD ARG 106 -8.247 -5.657 6.969 790 HE ARG 106 HE ARG 106 -8.218 -4.037 9.052 791 1HH1 ARG 106 1HH1 ARG 106 -10.368 -6.815 8.461 792 2HH1 ARG 106 2HH1 ARG 106 -10.554 -7.152 10.125 793 1HH2 ARG 106 1HH2 ARG 106 -8.487 -4.551 11.290 794 2HH2 ARG 106 2HH2 ARG 106 -9.487 -5.863 11.747 795 H VAL 107 H VAL 107 -5.379 -3.437 4.813 796 HA VAL 107 HA VAL 107 -7.098 -4.556 2.794 797 HB VAL 107 HB VAL 107 -5.257 -3.173 1.751 798 1HG1 VAL 107 1HG1 VAL 107 -3.500 -3.562 3.263 799 2HG1 VAL 107 2HG1 VAL 107 -3.045 -4.157 1.655 800 3HG1 VAL 107 3HG1 VAL 107 -3.527 -5.301 2.919 801 1HG2 VAL 107 1HG2 VAL 107 -6.390 -4.881 0.554 802 2HG2 VAL 107 2HG2 VAL 107 -5.355 -6.092 1.281 803 3HG2 VAL 107 3HG2 VAL 107 -4.664 -4.935 0.110 804 H VAL 108 H VAL 108 -7.138 -6.643 2.697 805 HA VAL 108 HA VAL 108 -5.556 -8.154 4.630 806 HB VAL 108 HB VAL 108 -7.612 -9.588 4.954 807 1HG1 VAL 108 1HG1 VAL 108 -8.015 -6.682 5.224 808 2HG1 VAL 108 2HG1 VAL 108 -7.026 -7.624 6.363 809 3HG1 VAL 108 3HG1 VAL 108 -8.817 -7.875 6.236 810 1HG2 VAL 108 1HG2 VAL 108 -8.713 -8.976 2.786 811 2HG2 VAL 108 2HG2 VAL 108 -8.886 -7.346 3.533 812 3HG2 VAL 108 3HG2 VAL 108 -9.725 -8.699 4.238 813 H SER 109 H SER 109 -4.913 -10.211 3.934 814 HA SER 109 HA SER 109 -5.529 -10.836 1.194 815 1HB SER 109 2HB SER 109 -3.717 -9.297 1.054 816 2HB SER 109 1HB SER 109 -2.828 -10.160 2.299 817 HG SER 109 HG SER 109 -3.434 -10.973 -0.374 Start of MODEL 16 1 1H MET 1 1HT MET 1 -16.940 -7.878 -8.917 2 2H MET 1 2HT MET 1 -17.604 -6.384 -8.510 3 3H MET 1 3HT MET 1 -17.461 -7.568 -7.349 4 HA MET 1 HA MET 1 -15.100 -7.422 -7.379 5 1HB MET 1 2HB MET 1 -15.574 -5.378 -9.558 6 2HB MET 1 1HB MET 1 -14.054 -5.530 -8.698 7 1HG MET 1 2HG MET 1 -13.949 -6.622 -10.859 8 2HG MET 1 1HG MET 1 -13.779 -7.800 -9.570 9 1HE MET 1 1HE MET 1 -15.556 -9.873 -12.322 10 2HE MET 1 2HE MET 1 -14.201 -9.788 -11.197 11 3HE MET 1 3HE MET 1 -14.309 -8.645 -12.536 12 H GLY 2 H GLY 2 -14.130 -6.123 -5.877 13 1HA GLY 2 2HA GLY 2 -13.870 -4.082 -4.697 14 2HA GLY 2 1HA GLY 2 -15.481 -3.607 -5.213 15 H HIS 3 H HIS 3 -16.721 -3.398 -3.526 16 HA HIS 3 HA HIS 3 -17.915 -3.828 -1.659 17 1HB HIS 3 2HB HIS 3 -16.933 -6.646 -2.076 18 2HB HIS 3 1HB HIS 3 -17.974 -6.206 -0.733 19 HD1 HIS 3 1HD HIS 3 -20.368 -6.398 -1.166 20 HD2 HIS 3 2HD HIS 3 -18.209 -6.005 -4.684 21 HE1 HIS 3 1HE HIS 3 -22.036 -6.688 -3.004 22 HE2 HIS 3 2HE HIS 3 -20.757 -6.079 -5.072 23 H HIS 4 H HIS 4 -17.680 -4.927 0.627 24 HA HIS 4 HA HIS 4 -16.666 -5.086 2.602 25 1HB HIS 4 2HB HIS 4 -14.087 -5.034 1.029 26 2HB HIS 4 1HB HIS 4 -14.163 -5.239 2.771 27 HD1 HIS 4 1HD HIS 4 -14.299 -7.581 3.559 28 HD2 HIS 4 2HD HIS 4 -15.452 -7.210 -0.420 29 HE1 HIS 4 1HE HIS 4 -14.691 -9.902 2.748 30 HE2 HIS 4 2HE HIS 4 -15.085 -9.672 0.305 31 H HIS 5 H HIS 5 -16.689 -2.348 0.857 32 HA HIS 5 HA HIS 5 -15.116 -0.905 2.812 33 1HB HIS 5 2HB HIS 5 -15.475 1.178 1.533 34 2HB HIS 5 1HB HIS 5 -14.821 -0.081 0.518 35 HD1 HIS 5 1HD HIS 5 -15.857 -0.032 -1.778 36 HD2 HIS 5 2HD HIS 5 -18.503 1.361 1.127 37 HE1 HIS 5 1HE HIS 5 -17.867 0.739 -3.012 38 HE2 HIS 5 2HE HIS 5 -19.538 1.215 -1.252 39 H HIS 6 H HIS 6 -15.805 0.277 4.472 40 HA HIS 6 HA HIS 6 -18.716 0.447 4.810 41 1HB HIS 6 2HB HIS 6 -16.660 -0.189 6.939 42 2HB HIS 6 1HB HIS 6 -18.352 0.131 7.260 43 HD1 HIS 6 1HD HIS 6 -20.038 -1.794 6.751 44 HD2 HIS 6 2HD HIS 6 -16.079 -2.722 5.899 45 HE1 HIS 6 1HE HIS 6 -19.982 -4.263 6.426 46 HE2 HIS 6 2HE HIS 6 -17.546 -4.762 6.411 47 H HIS 7 H HIS 7 -19.161 2.066 6.723 48 HA HIS 7 HA HIS 7 -17.949 4.513 5.815 49 1HB HIS 7 2HB HIS 7 -20.443 4.213 6.240 50 2HB HIS 7 1HB HIS 7 -20.067 4.187 7.951 51 HD1 HIS 7 1HD HIS 7 -20.493 6.448 5.064 52 HD2 HIS 7 2HD HIS 7 -19.263 6.759 9.016 53 HE1 HIS 7 1HE HIS 7 -20.522 8.901 5.599 54 HE2 HIS 7 2HE HIS 7 -19.619 9.063 7.926 55 H HIS 8 H HIS 8 -17.765 2.417 8.596 56 HA HIS 8 HA HIS 8 -16.315 4.265 10.261 57 1HB HIS 8 2HB HIS 8 -16.359 1.229 10.375 58 2HB HIS 8 1HB HIS 8 -15.477 2.220 11.517 59 HD1 HIS 8 1HD HIS 8 -16.995 3.688 13.176 60 HD2 HIS 8 2HD HIS 8 -18.996 0.848 10.908 61 HE1 HIS 8 1HE HIS 8 -19.205 3.374 14.297 62 HE2 HIS 8 2HE HIS 8 -20.158 1.376 13.131 63 H LEU 9 H LEU 9 -15.129 1.354 8.602 64 HA LEU 9 HA LEU 9 -13.066 2.876 7.417 65 1HB LEU 9 2HB LEU 9 -11.174 1.491 8.184 66 2HB LEU 9 1HB LEU 9 -11.906 2.341 9.509 67 HG LEU 9 HG LEU 9 -11.178 0.228 10.279 68 1HD1 LEU 9 1HD1 LEU 9 -13.179 -0.879 11.111 69 2HD1 LEU 9 2HD1 LEU 9 -14.139 0.154 10.040 70 3HD1 LEU 9 3HD1 LEU 9 -13.164 0.873 11.315 71 1HD2 LEU 9 1HD2 LEU 9 -12.739 -1.101 8.062 72 2HD2 LEU 9 2HD2 LEU 9 -11.923 -1.943 9.377 73 3HD2 LEU 9 3HD2 LEU 9 -10.984 -1.006 8.211 74 H GLU 10 H GLU 10 -12.205 1.882 5.630 75 HA GLU 10 HA GLU 10 -13.948 -0.207 4.711 76 1HB GLU 10 2HB GLU 10 -12.916 0.314 2.420 77 2HB GLU 10 1HB GLU 10 -14.039 1.454 3.130 78 1HG GLU 10 2HG GLU 10 -11.049 1.779 3.293 79 2HG GLU 10 1HG GLU 10 -12.017 2.425 1.968 80 H GLU 11 H GLU 11 -13.473 -2.253 4.358 81 HA GLU 11 HA GLU 11 -10.789 -3.067 4.666 82 1HB GLU 11 2HB GLU 11 -12.335 -4.244 5.999 83 2HB GLU 11 1HB GLU 11 -13.475 -4.405 4.673 84 1HG GLU 11 2HG GLU 11 -12.099 -5.906 3.555 85 2HG GLU 11 1HG GLU 11 -10.751 -5.722 4.642 86 H PHE 12 H PHE 12 -9.712 -3.825 3.066 87 HA PHE 12 HA PHE 12 -10.986 -4.274 0.462 88 1HB PHE 12 2HB PHE 12 -8.327 -3.294 1.299 89 2HB PHE 12 1HB PHE 12 -8.744 -3.858 -0.310 90 HD1 PHE 12 1HD PHE 12 -10.513 -2.471 -1.578 91 HD2 PHE 12 2HD PHE 12 -8.777 -1.142 2.067 92 HE1 PHE 12 1HE PHE 12 -11.311 -0.190 -2.030 93 HE2 PHE 12 2HE PHE 12 -9.570 1.138 1.621 94 HZ PHE 12 HZ PHE 12 -10.840 1.615 -0.429 95 H THR 13 H THR 13 -10.513 -6.252 -0.425 96 HA THR 13 HA THR 13 -8.605 -7.803 1.128 97 HB THR 13 HB THR 13 -10.398 -8.835 -1.096 98 HG1 THR 13 1HG THR 13 -11.024 -7.975 1.380 99 1HG2 THR 13 1HG2 THR 13 -9.978 -10.992 0.024 100 2HG2 THR 13 2HG2 THR 13 -8.983 -10.115 1.213 101 3HG2 THR 13 3HG2 THR 13 -8.464 -10.193 -0.463 102 H ALA 14 H ALA 14 -6.864 -8.805 -0.028 103 HA ALA 14 HA ALA 14 -5.547 -6.774 -1.418 104 1HB ALA 14 1HB ALA 14 -4.419 -8.443 -0.030 105 2HB ALA 14 2HB ALA 14 -3.640 -8.116 -1.573 106 3HB ALA 14 3HB ALA 14 -4.562 -9.610 -1.357 107 H GLU 15 H GLU 15 -6.820 -9.743 -2.868 108 HA GLU 15 HA GLU 15 -5.823 -9.141 -5.457 109 1HB GLU 15 2HB GLU 15 -8.270 -10.755 -4.748 110 2HB GLU 15 1HB GLU 15 -7.394 -10.815 -6.268 111 1HG GLU 15 2HG GLU 15 -5.428 -11.666 -5.132 112 2HG GLU 15 1HG GLU 15 -6.279 -11.591 -3.590 113 H GLN 16 H GLN 16 -8.642 -8.246 -3.747 114 HA GLN 16 HA GLN 16 -10.020 -7.098 -5.927 115 1HB GLN 16 2HB GLN 16 -10.410 -7.054 -2.968 116 2HB GLN 16 1HB GLN 16 -11.463 -6.150 -4.056 117 1HG GLN 16 2HG GLN 16 -12.342 -8.032 -5.005 118 2HG GLN 16 1HG GLN 16 -10.925 -9.014 -4.609 119 1HE2 GLN 16 1HE2 GLN 16 -10.814 -9.975 -2.725 120 2HE2 GLN 16 2HE2 GLN 16 -12.098 -10.009 -1.588 121 H LEU 17 H LEU 17 -7.857 -5.970 -3.418 122 HA LEU 17 HA LEU 17 -8.144 -3.186 -3.697 123 1HB LEU 17 2HB LEU 17 -7.001 -4.206 -1.789 124 2HB LEU 17 1HB LEU 17 -5.709 -4.751 -2.846 125 HG LEU 17 HG LEU 17 -5.287 -2.328 -3.398 126 1HD1 LEU 17 1HD1 LEU 17 -6.010 -0.676 -1.807 127 2HD1 LEU 17 2HD1 LEU 17 -7.040 -1.900 -1.048 128 3HD1 LEU 17 3HD1 LEU 17 -7.356 -1.387 -2.718 129 1HD2 LEU 17 1HD2 LEU 17 -3.819 -3.526 -1.921 130 2HD2 LEU 17 2HD2 LEU 17 -4.884 -3.151 -0.543 131 3HD2 LEU 17 3HD2 LEU 17 -4.049 -1.849 -1.409 132 H SER 18 H SER 18 -6.467 -5.575 -5.528 133 HA SER 18 HA SER 18 -4.406 -4.033 -6.669 134 1HB SER 18 2HB SER 18 -4.609 -6.585 -6.514 135 2HB SER 18 1HB SER 18 -5.685 -6.467 -7.883 136 HG SER 18 HG SER 18 -4.061 -5.854 -9.185 137 H GLN 19 H GLN 19 -7.540 -3.509 -7.041 138 HA GLN 19 HA GLN 19 -7.438 -2.858 -9.920 139 1HB GLN 19 2HB GLN 19 -9.841 -3.204 -8.141 140 2HB GLN 19 1HB GLN 19 -9.843 -3.019 -9.890 141 1HG GLN 19 2HG GLN 19 -8.640 -5.186 -10.088 142 2HG GLN 19 1HG GLN 19 -8.660 -5.293 -8.353 143 1HE2 GLN 19 1HE2 GLN 19 -10.471 -5.730 -7.270 144 2HE2 GLN 19 2HE2 GLN 19 -11.884 -6.403 -8.002 145 H TYR 20 H TYR 20 -7.123 -1.521 -6.921 146 HA TYR 20 HA TYR 20 -8.507 0.977 -7.509 147 1HB TYR 20 2HB TYR 20 -7.255 -0.192 -5.048 148 2HB TYR 20 1HB TYR 20 -7.736 1.491 -5.074 149 HD1 TYR 20 1HD TYR 20 -10.115 2.083 -5.224 150 HD2 TYR 20 2HD TYR 20 -8.880 -1.968 -5.003 151 HE1 TYR 20 1HE TYR 20 -12.407 1.436 -4.671 152 HE2 TYR 20 2HE TYR 20 -11.174 -2.649 -4.434 153 HH TYR 20 HH TYR 20 -13.145 -1.672 -3.481 154 H ASN 21 H ASN 21 -6.400 0.323 -9.107 155 HA ASN 21 HA ASN 21 -4.116 1.857 -8.259 156 1HB ASN 21 2HB ASN 21 -3.087 1.091 -10.368 157 2HB ASN 21 1HB ASN 21 -3.716 -0.229 -9.422 158 1HD2 ASN 21 1HD2 ASN 21 -3.171 -0.206 -12.264 159 2HD2 ASN 21 2HD2 ASN 21 -4.660 -0.589 -13.048 160 H GLY 22 H GLY 22 -7.017 2.550 -9.415 161 1HA GLY 22 2HA GLY 22 -8.032 4.462 -10.145 162 2HA GLY 22 1HA GLY 22 -6.568 5.280 -9.690 163 H THR 23 H THR 23 -6.836 2.877 -12.278 164 HA THR 23 HA THR 23 -6.157 5.091 -14.059 165 HB THR 23 HB THR 23 -4.474 3.333 -13.984 166 HG1 THR 23 1HG THR 23 -4.433 4.250 -15.913 167 1HG2 THR 23 1HG2 THR 23 -6.626 1.526 -15.060 168 2HG2 THR 23 2HG2 THR 23 -5.843 1.403 -13.482 169 3HG2 THR 23 3HG2 THR 23 -4.917 1.108 -14.952 170 H ASP 24 H ASP 24 -8.443 2.603 -13.374 171 HA ASP 24 HA ASP 24 -9.750 3.110 -15.879 172 1HB ASP 24 2HB ASP 24 -10.351 1.044 -13.757 173 2HB ASP 24 1HB ASP 24 -11.224 1.224 -15.257 174 H GLU 25 H GLU 25 -11.617 4.341 -15.851 175 HA GLU 25 HA GLU 25 -13.544 5.351 -15.213 176 1HB GLU 25 2HB GLU 25 -13.428 3.501 -12.841 177 2HB GLU 25 1HB GLU 25 -14.840 4.370 -13.419 178 1HG GLU 25 2HG GLU 25 -13.351 2.256 -14.949 179 2HG GLU 25 1HG GLU 25 -14.843 2.022 -14.045 180 H SER 26 H SER 26 -10.796 5.836 -13.783 181 HA SER 26 HA SER 26 -9.833 7.337 -12.391 182 1HB SER 26 2HB SER 26 -11.228 8.901 -13.755 183 2HB SER 26 1HB SER 26 -12.518 8.735 -12.570 184 HG SER 26 HG SER 26 -9.984 9.948 -12.339 185 H LYS 27 H LYS 27 -10.879 5.037 -11.273 186 HA LYS 27 HA LYS 27 -12.431 5.215 -8.939 187 1HB LYS 27 2HB LYS 27 -10.001 3.455 -9.369 188 2HB LYS 27 1HB LYS 27 -11.256 3.209 -8.195 189 1HG LYS 27 2HG LYS 27 -12.850 2.704 -9.886 190 2HG LYS 27 1HG LYS 27 -11.702 3.150 -11.158 191 1HD LYS 27 2HD LYS 27 -10.167 1.391 -10.295 192 2HD LYS 27 1HD LYS 27 -11.435 0.890 -9.184 193 1HE LYS 27 2HE LYS 27 -12.869 0.317 -11.027 194 2HE LYS 27 1HE LYS 27 -11.688 0.928 -12.186 195 1HZ LYS 27 1HZ LYS 27 -11.345 -1.372 -10.349 196 2HZ LYS 27 2HZ LYS 27 -10.124 -0.743 -11.322 197 3HZ LYS 27 3HZ LYS 27 -11.483 -1.456 -12.029 198 HA PRO 28 HA PRO 28 -9.693 7.139 -5.886 199 1HB PRO 28 2HB PRO 28 -10.228 5.559 -3.706 200 2HB PRO 28 1HB PRO 28 -11.307 6.848 -4.249 201 1HG PRO 28 2HG PRO 28 -11.481 3.900 -4.757 202 2HG PRO 28 1HG PRO 28 -12.770 5.042 -4.345 203 1HD PRO 28 2HD PRO 28 -12.384 4.189 -6.844 204 2HD PRO 28 1HD PRO 28 -12.921 5.839 -6.500 205 H ILE 29 H ILE 29 -7.676 6.701 -4.869 206 HA ILE 29 HA ILE 29 -6.482 4.191 -5.825 207 HB ILE 29 HB ILE 29 -5.058 6.809 -5.330 208 1HG1 ILE 29 2HG1 ILE 29 -5.949 5.623 -7.943 209 2HG1 ILE 29 1HG1 ILE 29 -6.743 6.996 -7.183 210 1HG2 ILE 29 1HG2 ILE 29 -4.296 4.285 -6.827 211 2HG2 ILE 29 2HG2 ILE 29 -3.693 4.742 -5.239 212 3HG2 ILE 29 3HG2 ILE 29 -3.283 5.720 -6.652 213 1HD1 ILE 29 1HD1 ILE 29 -5.281 7.622 -8.928 214 2HD1 ILE 29 2HD1 ILE 29 -3.904 6.909 -8.037 215 3HD1 ILE 29 3HD1 ILE 29 -4.774 8.293 -7.378 216 H TYR 30 H TYR 30 -5.613 2.936 -4.330 217 HA TYR 30 HA TYR 30 -4.984 4.033 -1.667 218 1HB TYR 30 2HB TYR 30 -6.477 1.477 -2.244 219 2HB TYR 30 1HB TYR 30 -5.953 2.046 -0.668 220 HD1 TYR 30 1HD TYR 30 -8.523 2.175 -3.177 221 HD2 TYR 30 2HD TYR 30 -7.030 4.129 0.290 222 HE1 TYR 30 1HE TYR 30 -10.678 3.316 -2.896 223 HE2 TYR 30 2HE TYR 30 -9.191 5.278 0.572 224 HH TYR 30 HH TYR 30 -11.096 5.912 -0.726 225 H VAL 31 H VAL 31 -3.330 3.303 -0.702 226 HA VAL 31 HA VAL 31 -1.808 1.126 -1.954 227 HB VAL 31 HB VAL 31 0.234 2.134 -1.044 228 1HG1 VAL 31 1HG1 VAL 31 -1.246 4.036 -2.829 229 2HG1 VAL 31 2HG1 VAL 31 -0.251 2.654 -3.321 230 3HG1 VAL 31 3HG1 VAL 31 0.497 4.042 -2.537 231 1HG2 VAL 31 1HG2 VAL 31 -1.502 4.456 -0.252 232 2HG2 VAL 31 2HG2 VAL 31 0.262 4.462 -0.211 233 3HG2 VAL 31 3HG2 VAL 31 -0.643 3.358 0.830 234 H ALA 32 H ALA 32 -0.546 -0.070 -0.296 235 HA ALA 32 HA ALA 32 -1.597 0.369 2.367 236 1HB ALA 32 1HB ALA 32 -2.073 -1.989 2.684 237 2HB ALA 32 2HB ALA 32 -1.560 -2.328 1.033 238 3HB ALA 32 3HB ALA 32 -3.000 -1.358 1.319 239 H ILE 33 H ILE 33 -0.317 -0.380 3.996 240 HA ILE 33 HA ILE 33 2.332 -1.448 3.304 241 HB ILE 33 HB ILE 33 1.822 0.881 5.219 242 1HG1 ILE 33 2HG1 ILE 33 3.318 0.909 2.599 243 2HG1 ILE 33 1HG1 ILE 33 1.725 1.590 2.816 244 1HG2 ILE 33 1HG2 ILE 33 4.361 -0.515 4.439 245 2HG2 ILE 33 2HG2 ILE 33 3.655 -0.390 6.073 246 3HG2 ILE 33 3HG2 ILE 33 4.286 1.036 5.236 247 1HD1 ILE 33 1HD1 ILE 33 4.248 2.496 4.172 248 2HD1 ILE 33 2HD1 ILE 33 2.644 3.175 4.452 249 3HD1 ILE 33 3HD1 ILE 33 3.400 3.320 2.864 250 H LYS 34 H LYS 34 2.250 -3.369 4.378 251 HA LYS 34 HA LYS 34 2.001 -4.947 6.025 252 1HB LYS 34 2HB LYS 34 1.797 -2.534 7.815 253 2HB LYS 34 1HB LYS 34 1.522 -4.144 8.431 254 1HG LYS 34 2HG LYS 34 3.829 -4.732 7.747 255 2HG LYS 34 1HG LYS 34 4.072 -3.040 7.276 256 1HD LYS 34 2HD LYS 34 3.644 -2.278 9.494 257 2HD LYS 34 1HD LYS 34 3.132 -3.877 10.014 258 1HE LYS 34 2HE LYS 34 5.357 -3.379 10.836 259 2HE LYS 34 1HE LYS 34 5.402 -4.704 9.680 260 1HZ LYS 34 1HZ LYS 34 6.128 -1.873 9.106 261 2HZ LYS 34 2HZ LYS 34 6.166 -3.125 7.996 262 3HZ LYS 34 3HZ LYS 34 7.187 -3.147 9.350 263 H GLY 35 H GLY 35 -0.356 -3.591 4.613 264 1HA GLY 35 2HA GLY 35 -2.463 -4.613 4.607 265 2HA GLY 35 1HA GLY 35 -2.389 -4.879 6.312 266 H ARG 36 H ARG 36 -1.364 -1.955 6.589 267 HA ARG 36 HA ARG 36 -4.015 -0.897 6.744 268 1HB ARG 36 2HB ARG 36 -2.804 1.223 7.582 269 2HB ARG 36 1HB ARG 36 -2.811 -0.175 8.622 270 1HG ARG 36 2HG ARG 36 -0.558 -0.700 7.901 271 2HG ARG 36 1HG ARG 36 -0.545 0.706 6.852 272 1HD ARG 36 2HD ARG 36 -0.818 2.156 8.807 273 2HD ARG 36 1HD ARG 36 -0.909 0.739 9.851 274 HE ARG 36 HE ARG 36 1.457 0.560 8.436 275 1HH1 ARG 36 1HH1 ARG 36 0.032 2.732 10.850 276 2HH1 ARG 36 2HH1 ARG 36 1.496 3.134 11.587 277 1HH2 ARG 36 1HH2 ARG 36 3.531 1.096 9.473 278 2HH2 ARG 36 2HH2 ARG 36 3.534 2.186 10.777 279 H VAL 37 H VAL 37 -5.022 0.166 5.368 280 HA VAL 37 HA VAL 37 -3.676 0.844 2.912 281 HB VAL 37 HB VAL 37 -6.628 0.722 3.601 282 1HG1 VAL 37 1HG1 VAL 37 -6.226 2.448 1.913 283 2HG1 VAL 37 2HG1 VAL 37 -6.997 1.031 1.183 284 3HG1 VAL 37 3HG1 VAL 37 -5.258 1.299 0.996 285 1HG2 VAL 37 1HG2 VAL 37 -4.888 -0.986 1.842 286 2HG2 VAL 37 2HG2 VAL 37 -6.623 -1.175 2.080 287 3HG2 VAL 37 3HG2 VAL 37 -5.516 -1.435 3.426 288 H PHE 38 H PHE 38 -3.178 2.727 2.332 289 HA PHE 38 HA PHE 38 -4.178 5.077 3.789 290 1HB PHE 38 2HB PHE 38 -1.636 4.610 2.246 291 2HB PHE 38 1HB PHE 38 -2.105 6.164 2.910 292 HD1 PHE 38 1HD PHE 38 -1.070 2.655 3.860 293 HD2 PHE 38 2HD PHE 38 -1.596 6.708 5.125 294 HE1 PHE 38 1HE PHE 38 0.172 2.192 5.870 295 HE2 PHE 38 2HE PHE 38 -0.367 6.200 7.170 296 HZ PHE 38 HZ PHE 38 0.533 3.940 7.546 297 H ASP 39 H ASP 39 -5.088 6.671 2.529 298 HA ASP 39 HA ASP 39 -5.670 5.979 -0.238 299 1HB ASP 39 2HB ASP 39 -7.497 6.918 1.092 300 2HB ASP 39 1HB ASP 39 -6.557 8.369 1.412 301 H VAL 40 H VAL 40 -4.677 6.775 -1.941 302 HA VAL 40 HA VAL 40 -2.926 9.108 -1.579 303 HB VAL 40 HB VAL 40 -1.408 8.144 -3.336 304 1HG1 VAL 40 1HG1 VAL 40 -1.680 6.506 -0.822 305 2HG1 VAL 40 2HG1 VAL 40 -0.783 8.023 -1.014 306 3HG1 VAL 40 3HG1 VAL 40 -0.272 6.579 -1.889 307 1HG2 VAL 40 1HG2 VAL 40 -1.495 5.765 -3.793 308 2HG2 VAL 40 2HG2 VAL 40 -2.977 6.573 -4.310 309 3HG2 VAL 40 3HG2 VAL 40 -2.965 5.622 -2.824 310 H THR 41 H THR 41 -5.712 8.747 -2.569 311 HA THR 41 HA THR 41 -5.735 9.102 -5.379 312 HB THR 41 HB THR 41 -7.787 10.105 -3.377 313 HG1 THR 41 1HG THR 41 -7.851 8.017 -2.873 314 1HG2 THR 41 1HG2 THR 41 -9.364 9.682 -5.224 315 2HG2 THR 41 2HG2 THR 41 -8.025 9.158 -6.243 316 3HG2 THR 41 3HG2 THR 41 -8.115 10.833 -5.702 317 H THR 42 H THR 42 -5.104 11.098 -2.655 318 HA THR 42 HA THR 42 -5.524 13.635 -3.765 319 HB THR 42 HB THR 42 -4.031 14.297 -1.829 320 HG1 THR 42 1HG THR 42 -3.695 12.448 -0.344 321 1HG2 THR 42 1HG2 THR 42 -6.486 14.177 -1.654 322 2HG2 THR 42 2HG2 THR 42 -5.712 13.677 -0.152 323 3HG2 THR 42 3HG2 THR 42 -6.369 12.463 -1.255 324 H GLY 43 H GLY 43 -2.821 11.415 -3.630 325 1HA GLY 43 2HA GLY 43 -1.118 13.306 -5.090 326 2HA GLY 43 1HA GLY 43 -0.544 11.886 -4.216 327 H LYS 44 H LYS 44 -3.199 12.195 -6.454 328 HA LYS 44 HA LYS 44 -2.850 9.753 -7.795 329 1HB LYS 44 2HB LYS 44 -4.878 11.110 -7.733 330 2HB LYS 44 1HB LYS 44 -4.115 12.220 -8.868 331 1HG LYS 44 2HG LYS 44 -3.855 10.447 -10.474 332 2HG LYS 44 1HG LYS 44 -4.508 9.313 -9.322 333 1HD LYS 44 2HD LYS 44 -6.552 10.586 -9.244 334 2HD LYS 44 1HD LYS 44 -5.832 11.664 -10.448 335 1HE LYS 44 2HE LYS 44 -6.157 8.726 -10.883 336 2HE LYS 44 1HE LYS 44 -7.337 9.936 -11.364 337 1HZ LYS 44 1HZ LYS 44 -4.522 9.726 -12.319 338 2HZ LYS 44 2HZ LYS 44 -5.545 10.994 -12.711 339 3HZ LYS 44 3HZ LYS 44 -5.896 9.450 -13.249 340 H SER 45 H SER 45 -1.553 12.904 -8.494 341 HA SER 45 HA SER 45 -0.649 12.485 -11.089 342 1HB SER 45 2HB SER 45 -0.630 14.695 -9.936 343 2HB SER 45 1HB SER 45 0.729 14.142 -8.963 344 HG SER 45 HG SER 45 1.734 13.743 -11.162 345 H PHE 46 H PHE 46 0.682 11.280 -8.103 346 HA PHE 46 HA PHE 46 3.075 10.365 -9.501 347 1HB PHE 46 2HB PHE 46 2.371 10.330 -6.566 348 2HB PHE 46 1HB PHE 46 3.845 9.643 -7.227 349 HD1 PHE 46 1HD PHE 46 2.072 12.713 -6.380 350 HD2 PHE 46 2HD PHE 46 5.595 11.079 -8.113 351 HE1 PHE 46 1HE PHE 46 3.173 14.909 -6.211 352 HE2 PHE 46 2HE PHE 46 6.700 13.268 -7.946 353 HZ PHE 46 HZ PHE 46 5.489 15.183 -6.996 354 H TYR 47 H TYR 47 0.398 9.072 -7.573 355 HA TYR 47 HA TYR 47 1.283 6.383 -8.066 356 1HB TYR 47 2HB TYR 47 -1.137 7.402 -6.570 357 2HB TYR 47 1HB TYR 47 -0.562 5.737 -6.571 358 HD1 TYR 47 1HD TYR 47 1.298 5.075 -5.181 359 HD2 TYR 47 2HD TYR 47 0.230 9.170 -5.507 360 HE1 TYR 47 1HE TYR 47 2.817 5.627 -3.312 361 HE2 TYR 47 2HE TYR 47 1.723 9.729 -3.664 362 HH TYR 47 HH TYR 47 2.745 8.745 -1.849 363 H GLY 48 H GLY 48 -1.844 8.112 -8.786 364 1HA GLY 48 2HA GLY 48 -2.497 5.875 -10.546 365 2HA GLY 48 1HA GLY 48 -3.611 7.055 -9.924 366 H SER 49 H SER 49 -0.576 7.474 -11.572 367 HA SER 49 HA SER 49 -2.054 8.742 -13.768 368 1HB SER 49 2HB SER 49 -1.005 10.460 -12.276 369 2HB SER 49 1HB SER 49 0.563 9.720 -12.569 370 HG SER 49 HG SER 49 -1.151 10.972 -14.424 371 H GLY 50 H GLY 50 -0.466 6.152 -12.939 372 1HA GLY 50 2HA GLY 50 0.780 4.567 -14.034 373 2HA GLY 50 1HA GLY 50 0.612 5.538 -15.495 374 H GLY 51 H GLY 51 1.960 6.774 -12.529 375 1HA GLY 51 2HA GLY 51 4.374 7.468 -13.989 376 2HA GLY 51 1HA GLY 51 3.882 8.089 -12.421 377 H ASP 52 H ASP 52 5.866 7.757 -11.534 378 HA ASP 52 HA ASP 52 7.329 5.315 -11.597 379 1HB ASP 52 2HB ASP 52 8.414 7.473 -11.233 380 2HB ASP 52 1HB ASP 52 7.496 7.709 -9.755 381 H TYR 53 H TYR 53 5.134 6.805 -9.334 382 HA TYR 53 HA TYR 53 5.421 4.626 -7.451 383 1HB TYR 53 2HB TYR 53 3.797 7.168 -7.321 384 2HB TYR 53 1HB TYR 53 3.906 5.984 -6.025 385 HD1 TYR 53 1HD TYR 53 5.981 5.712 -4.767 386 HD2 TYR 53 2HD TYR 53 5.624 8.661 -7.807 387 HE1 TYR 53 1HE TYR 53 8.003 6.824 -3.920 388 HE2 TYR 53 2HE TYR 53 7.637 9.780 -6.971 389 HH TYR 53 HH TYR 53 8.865 9.937 -4.907 390 H SER 54 H SER 54 4.054 4.439 -10.153 391 HA SER 54 HA SER 54 1.273 4.139 -9.603 392 1HB SER 54 2HB SER 54 2.187 4.715 -11.851 393 2HB SER 54 1HB SER 54 2.826 3.070 -11.946 394 HG SER 54 HG SER 54 0.100 3.726 -11.559 395 H MET 55 H MET 55 4.024 2.086 -9.244 396 HA MET 55 HA MET 55 2.623 -0.400 -9.500 397 1HB MET 55 2HB MET 55 5.186 0.058 -7.973 398 2HB MET 55 1HB MET 55 4.579 -1.463 -8.607 399 1HG MET 55 2HG MET 55 5.695 0.863 -10.086 400 2HG MET 55 1HG MET 55 6.346 -0.711 -9.966 401 1HE MET 55 1HE MET 55 6.658 -0.832 -12.618 402 2HE MET 55 2HE MET 55 5.906 0.753 -12.784 403 3HE MET 55 3HE MET 55 5.347 -0.597 -13.772 404 H PHE 56 H PHE 56 3.001 1.935 -7.073 405 HA PHE 56 HA PHE 56 2.366 0.282 -4.812 406 1HB PHE 56 2HB PHE 56 2.430 3.292 -5.149 407 2HB PHE 56 1HB PHE 56 2.285 2.446 -3.614 408 HD1 PHE 56 1HD PHE 56 4.212 1.724 -2.474 409 HD2 PHE 56 2HD PHE 56 4.532 3.049 -6.488 410 HE1 PHE 56 1HE PHE 56 6.652 1.714 -2.272 411 HE2 PHE 56 2HE PHE 56 6.987 3.044 -6.305 412 HZ PHE 56 HZ PHE 56 8.053 2.373 -4.189 413 H ALA 57 H ALA 57 0.724 2.188 -7.178 414 HA ALA 57 HA ALA 57 -1.660 2.735 -5.783 415 1HB ALA 57 1HB ALA 57 -0.974 3.961 -7.802 416 2HB ALA 57 2HB ALA 57 -2.596 3.295 -7.966 417 3HB ALA 57 3HB ALA 57 -1.235 2.506 -8.761 418 H GLY 58 H GLY 58 -3.039 1.286 -5.023 419 1HA GLY 58 2HA GLY 58 -4.683 -0.316 -5.212 420 2HA GLY 58 1HA GLY 58 -4.071 -0.710 -6.795 421 H LYS 59 H LYS 59 -1.695 -0.587 -4.285 422 HA LYS 59 HA LYS 59 -1.800 -3.486 -3.992 423 1HB LYS 59 2HB LYS 59 -0.519 -2.830 -6.050 424 2HB LYS 59 1HB LYS 59 0.582 -1.966 -5.007 425 1HG LYS 59 2HG LYS 59 1.562 -4.061 -5.608 426 2HG LYS 59 1HG LYS 59 1.147 -4.082 -3.894 427 1HD LYS 59 2HD LYS 59 0.657 -6.166 -5.121 428 2HD LYS 59 1HD LYS 59 -0.719 -5.464 -4.281 429 1HE LYS 59 2HE LYS 59 -1.588 -4.571 -6.350 430 2HE LYS 59 1HE LYS 59 -0.131 -5.005 -7.227 431 1HZ LYS 59 1HZ LYS 59 -0.715 -7.320 -6.978 432 2HZ LYS 59 2HZ LYS 59 -2.047 -6.504 -7.616 433 3HZ LYS 59 3HZ LYS 59 -2.033 -6.940 -6.005 434 H ASP 60 H ASP 60 -0.893 -4.126 -2.011 435 HA ASP 60 HA ASP 60 0.126 -2.126 -0.190 436 1HB ASP 60 2HB ASP 60 -1.004 -4.291 0.601 437 2HB ASP 60 1HB ASP 60 0.403 -5.146 -0.010 438 H ALA 61 H ALA 61 2.276 -1.730 0.196 439 HA ALA 61 HA ALA 61 4.069 -2.915 -1.834 440 1HB ALA 61 1HB ALA 61 4.064 -0.088 -0.842 441 2HB ALA 61 2HB ALA 61 3.410 -0.645 -2.381 442 3HB ALA 61 3HB ALA 61 5.142 -0.767 -2.060 443 H SER 62 H SER 62 3.682 -3.487 1.148 444 HA SER 62 HA SER 62 5.731 -2.314 2.543 445 1HB SER 62 2HB SER 62 5.462 -4.256 4.153 446 2HB SER 62 1HB SER 62 4.029 -3.301 3.790 447 HG SER 62 HG SER 62 3.298 -4.863 2.470 448 H ARG 63 H ARG 63 5.981 -5.364 0.725 449 HA ARG 63 HA ARG 63 8.692 -5.826 1.511 450 1HB ARG 63 2HB ARG 63 7.603 -7.759 0.666 451 2HB ARG 63 1HB ARG 63 7.097 -6.900 -0.788 452 1HG ARG 63 2HG ARG 63 9.334 -6.897 -1.656 453 2HG ARG 63 1HG ARG 63 9.965 -7.565 -0.153 454 1HD ARG 63 2HD ARG 63 9.039 -9.612 -0.526 455 2HD ARG 63 1HD ARG 63 7.901 -9.036 -1.764 456 HE ARG 63 HE ARG 63 9.966 -8.675 -3.151 457 1HH1 ARG 63 1HH1 ARG 63 10.188 -11.043 -0.540 458 2HH1 ARG 63 2HH1 ARG 63 11.174 -12.116 -1.433 459 1HH2 ARG 63 1HH2 ARG 63 11.273 -10.082 -4.332 460 2HH2 ARG 63 2HH2 ARG 63 11.830 -11.549 -3.649 461 H ALA 64 H ALA 64 7.269 -3.972 -0.966 462 HA ALA 64 HA ALA 64 9.636 -3.701 -2.550 463 1HB ALA 64 1HB ALA 64 8.425 -1.845 -3.673 464 2HB ALA 64 2HB ALA 64 7.110 -2.036 -2.505 465 3HB ALA 64 3HB ALA 64 7.523 -3.348 -3.617 466 H LEU 65 H LEU 65 7.943 -1.882 -0.186 467 HA LEU 65 HA LEU 65 9.490 0.411 0.003 468 1HB LEU 65 2HB LEU 65 7.845 -1.094 1.974 469 2HB LEU 65 1HB LEU 65 8.559 0.450 2.339 470 HG LEU 65 HG LEU 65 6.385 -0.117 0.284 471 1HD1 LEU 65 1HD1 LEU 65 5.071 1.367 1.588 472 2HD1 LEU 65 2HD1 LEU 65 6.367 1.539 2.771 473 3HD1 LEU 65 3HD1 LEU 65 5.582 -0.026 2.534 474 1HD2 LEU 65 1HD2 LEU 65 6.448 2.296 -0.123 475 2HD2 LEU 65 2HD2 LEU 65 7.961 1.472 -0.587 476 3HD2 LEU 65 3HD2 LEU 65 7.867 2.353 0.944 477 H GLY 66 H GLY 66 10.051 -2.722 1.464 478 1HA GLY 66 2HA GLY 66 12.156 -1.636 3.089 479 2HA GLY 66 1HA GLY 66 11.780 -3.334 2.937 480 H LYS 67 H LYS 67 12.018 -2.549 -0.155 481 HA LYS 67 HA LYS 67 14.931 -2.957 -0.116 482 1HB LYS 67 2HB LYS 67 13.018 -3.995 -2.207 483 2HB LYS 67 1HB LYS 67 14.749 -4.287 -2.142 484 1HG LYS 67 2HG LYS 67 14.259 -5.280 0.173 485 2HG LYS 67 1HG LYS 67 12.586 -5.331 -0.385 486 1HD LYS 67 2HD LYS 67 14.915 -6.655 -1.748 487 2HD LYS 67 1HD LYS 67 13.728 -7.450 -0.732 488 1HE LYS 67 2HE LYS 67 11.968 -6.913 -2.260 489 2HE LYS 67 1HE LYS 67 13.072 -5.966 -3.258 490 1HZ LYS 67 1HZ LYS 67 14.277 -7.926 -3.800 491 2HZ LYS 67 2HZ LYS 67 12.634 -8.194 -4.124 492 3HZ LYS 67 3HZ LYS 67 13.355 -8.871 -2.746 493 H MET 68 H MET 68 12.807 -0.683 -0.613 494 HA MET 68 HA MET 68 12.725 1.300 -1.720 495 1HB MET 68 2HB MET 68 15.518 0.574 -2.656 496 2HB MET 68 1HB MET 68 14.780 2.164 -2.813 497 1HG MET 68 2HG MET 68 14.657 2.316 -0.360 498 2HG MET 68 1HG MET 68 15.404 0.737 -0.253 499 1HE MET 68 1HE MET 68 17.630 4.396 -2.003 500 2HE MET 68 2HE MET 68 15.963 4.461 -1.431 501 3HE MET 68 3HE MET 68 16.367 3.532 -2.878 502 H SER 69 H SER 69 11.960 -1.268 -2.882 503 HA SER 69 HA SER 69 12.312 -1.067 -5.679 504 1HB SER 69 2HB SER 69 12.389 -3.319 -4.802 505 2HB SER 69 1HB SER 69 10.932 -3.040 -3.832 506 HG SER 69 HG SER 69 11.311 -3.699 -6.462 507 H LYS 70 H LYS 70 10.735 -1.014 -6.922 508 HA LYS 70 HA LYS 70 8.179 0.101 -6.231 509 1HB LYS 70 2HB LYS 70 8.793 1.866 -8.019 510 2HB LYS 70 1HB LYS 70 9.400 2.093 -6.374 511 1HG LYS 70 2HG LYS 70 11.460 1.393 -6.849 512 2HG LYS 70 1HG LYS 70 11.026 0.564 -8.316 513 1HD LYS 70 2HD LYS 70 12.251 2.606 -8.884 514 2HD LYS 70 1HD LYS 70 10.523 2.851 -9.221 515 1HE LYS 70 2HE LYS 70 10.234 4.046 -7.141 516 2HE LYS 70 1HE LYS 70 11.901 3.712 -6.676 517 1HZ LYS 70 1HZ LYS 70 11.674 5.940 -7.489 518 2HZ LYS 70 2HZ LYS 70 10.975 5.407 -8.916 519 3HZ LYS 70 3HZ LYS 70 12.608 5.066 -8.599 520 H ASN 71 H ASN 71 9.677 -2.294 -7.409 521 HA ASN 71 HA ASN 71 8.504 -2.231 -10.080 522 1HB ASN 71 2HB ASN 71 9.778 -4.279 -10.509 523 2HB ASN 71 1HB ASN 71 10.808 -2.844 -10.356 524 1HD2 ASN 71 1HD2 ASN 71 9.999 -5.950 -9.091 525 2HD2 ASN 71 2HD2 ASN 71 11.192 -6.018 -7.843 526 H GLU 72 H GLU 72 7.384 -3.970 -10.822 527 HA GLU 72 HA GLU 72 5.224 -4.353 -9.159 528 1HB GLU 72 2HB GLU 72 4.372 -5.822 -10.857 529 2HB GLU 72 1HB GLU 72 4.966 -4.304 -11.524 530 1HG GLU 72 2HG GLU 72 6.959 -5.454 -12.303 531 2HG GLU 72 1HG GLU 72 6.400 -6.951 -11.554 532 H GLU 73 H GLU 73 7.878 -6.599 -9.748 533 HA GLU 73 HA GLU 73 6.519 -8.816 -8.581 534 1HB GLU 73 2HB GLU 73 9.440 -8.411 -9.145 535 2HB GLU 73 1HB GLU 73 8.729 -9.915 -8.590 536 1HG GLU 73 2HG GLU 73 7.422 -10.107 -10.589 537 2HG GLU 73 1HG GLU 73 7.963 -8.527 -11.147 538 H ASP 74 H ASP 74 8.269 -6.171 -7.167 539 HA ASP 74 HA ASP 74 8.453 -7.768 -4.736 540 1HB ASP 74 2HB ASP 74 9.908 -5.236 -5.436 541 2HB ASP 74 1HB ASP 74 9.952 -5.991 -3.845 542 H VAL 75 H VAL 75 6.605 -5.349 -6.105 543 HA VAL 75 HA VAL 75 5.789 -4.179 -3.609 544 HB VAL 75 HB VAL 75 4.226 -4.208 -6.226 545 1HG1 VAL 75 1HG1 VAL 75 3.234 -2.189 -5.364 546 2HG1 VAL 75 2HG1 VAL 75 4.300 -2.274 -3.950 547 3HG1 VAL 75 3HG1 VAL 75 3.061 -3.516 -4.183 548 1HG2 VAL 75 1HG2 VAL 75 6.291 -2.241 -5.288 549 2HG2 VAL 75 2HG2 VAL 75 5.265 -2.051 -6.714 550 3HG2 VAL 75 3HG2 VAL 75 6.454 -3.359 -6.642 551 H SER 76 H SER 76 4.453 -5.056 -2.152 552 HA SER 76 HA SER 76 2.810 -7.307 -2.667 553 1HB SER 76 2HB SER 76 5.608 -7.571 -1.777 554 2HB SER 76 1HB SER 76 4.438 -8.824 -1.371 555 HG SER 76 HG SER 76 4.574 -7.971 -4.018 556 HA PRO 77 HA PRO 77 1.563 -6.083 1.503 557 1HB PRO 77 2HB PRO 77 -0.153 -8.026 2.059 558 2HB PRO 77 1HB PRO 77 -0.449 -6.931 0.704 559 1HG PRO 77 2HG PRO 77 0.650 -9.708 0.696 560 2HG PRO 77 1HG PRO 77 -0.566 -8.987 -0.377 561 1HD PRO 77 2HD PRO 77 2.096 -9.276 -1.015 562 2HD PRO 77 1HD PRO 77 1.021 -8.055 -1.729 563 H SER 78 H SER 78 4.112 -7.709 1.504 564 HA SER 78 HA SER 78 4.045 -8.483 4.275 565 1HB SER 78 2HB SER 78 4.961 -10.756 3.773 566 2HB SER 78 1HB SER 78 3.238 -10.485 3.446 567 HG SER 78 HG SER 78 3.666 -10.376 1.310 568 H LEU 79 H LEU 79 6.102 -9.211 5.053 569 HA LEU 79 HA LEU 79 8.029 -7.368 3.859 570 1HB LEU 79 2HB LEU 79 8.219 -8.596 6.605 571 2HB LEU 79 1HB LEU 79 8.968 -7.156 5.956 572 HG LEU 79 HG LEU 79 6.202 -7.521 6.987 573 1HD1 LEU 79 1HD1 LEU 79 7.854 -6.891 8.590 574 2HD1 LEU 79 2HD1 LEU 79 6.734 -5.557 8.311 575 3HD1 LEU 79 3HD1 LEU 79 8.334 -5.513 7.598 576 1HD2 LEU 79 1HD2 LEU 79 5.865 -6.455 4.903 577 2HD2 LEU 79 2HD2 LEU 79 7.128 -5.256 5.227 578 3HD2 LEU 79 3HD2 LEU 79 5.629 -5.260 6.178 579 H GLU 80 H GLU 80 7.454 -9.959 2.919 580 HA GLU 80 HA GLU 80 9.233 -11.922 3.872 581 1HB GLU 80 2HB GLU 80 7.338 -12.576 2.810 582 2HB GLU 80 1HB GLU 80 7.714 -11.741 1.278 583 1HG GLU 80 2HG GLU 80 8.202 -14.036 0.936 584 2HG GLU 80 1HG GLU 80 9.721 -13.164 1.309 585 H GLY 81 H GLY 81 11.221 -12.186 3.545 586 1HA GLY 81 2HA GLY 81 12.987 -12.630 2.327 587 2HA GLY 81 1HA GLY 81 12.412 -11.648 0.981 588 H LEU 82 H LEU 82 12.437 -10.590 4.299 589 HA LEU 82 HA LEU 82 14.454 -8.589 3.709 590 1HB LEU 82 2HB LEU 82 11.705 -8.274 4.816 591 2HB LEU 82 1HB LEU 82 12.926 -7.022 4.803 592 HG LEU 82 HG LEU 82 11.910 -8.325 2.280 593 1HD1 LEU 82 1HD1 LEU 82 10.095 -7.289 3.416 594 2HD1 LEU 82 2HD1 LEU 82 10.629 -6.306 2.019 595 3HD1 LEU 82 3HD1 LEU 82 11.084 -5.832 3.688 596 1HD2 LEU 82 1HD2 LEU 82 12.853 -6.447 1.240 597 2HD2 LEU 82 2HD2 LEU 82 14.110 -7.133 2.301 598 3HD2 LEU 82 3HD2 LEU 82 13.165 -5.709 2.793 599 H THR 83 H THR 83 15.800 -8.430 5.299 600 HA THR 83 HA THR 83 15.241 -9.548 7.930 601 HB THR 83 HB THR 83 17.616 -8.841 8.394 602 HG1 THR 83 1HG THR 83 17.616 -8.203 5.592 603 1HG2 THR 83 1HG2 THR 83 18.655 -10.538 6.947 604 2HG2 THR 83 2HG2 THR 83 17.187 -10.559 5.957 605 3HG2 THR 83 3HG2 THR 83 17.129 -11.090 7.643 606 H GLU 84 H GLU 84 16.074 -7.972 9.813 607 HA GLU 84 HA GLU 84 14.307 -5.839 9.986 608 1HB GLU 84 2HB GLU 84 15.450 -6.927 11.879 609 2HB GLU 84 1HB GLU 84 16.933 -6.111 11.431 610 1HG GLU 84 2HG GLU 84 15.920 -4.856 13.226 611 2HG GLU 84 1HG GLU 84 15.833 -3.942 11.741 612 H LYS 85 H LYS 85 17.618 -5.884 8.903 613 HA LYS 85 HA LYS 85 18.328 -3.202 8.644 614 1HB LYS 85 2HB LYS 85 19.828 -5.029 8.132 615 2HB LYS 85 1HB LYS 85 18.821 -5.522 6.780 616 1HG LYS 85 2HG LYS 85 19.292 -3.198 5.836 617 2HG LYS 85 1HG LYS 85 20.598 -3.122 7.022 618 1HD LYS 85 2HD LYS 85 20.215 -5.262 4.948 619 2HD LYS 85 1HD LYS 85 21.387 -3.949 4.827 620 1HE LYS 85 2HE LYS 85 22.566 -4.762 6.777 621 2HE LYS 85 1HE LYS 85 21.374 -6.032 7.030 622 1HZ LYS 85 1HZ LYS 85 23.366 -6.877 5.965 623 2HZ LYS 85 2HZ LYS 85 23.175 -5.818 4.658 624 3HZ LYS 85 3HZ LYS 85 22.046 -7.028 4.941 625 H GLU 86 H GLU 86 16.517 -5.300 6.484 626 HA GLU 86 HA GLU 86 16.202 -3.448 4.386 627 1HB GLU 86 2HB GLU 86 15.334 -6.133 5.168 628 2HB GLU 86 1HB GLU 86 14.790 -5.526 3.650 629 1HG GLU 86 2HG GLU 86 17.203 -5.203 3.024 630 2HG GLU 86 1HG GLU 86 17.645 -5.881 4.585 631 H ILE 87 H ILE 87 14.230 -4.982 6.819 632 HA ILE 87 HA ILE 87 11.808 -3.835 6.157 633 HB ILE 87 HB ILE 87 12.885 -4.799 8.783 634 1HG1 ILE 87 2HG1 ILE 87 11.035 -6.086 6.774 635 2HG1 ILE 87 1HG1 ILE 87 12.722 -6.489 7.034 636 1HG2 ILE 87 1HG2 ILE 87 11.088 -3.229 9.110 637 2HG2 ILE 87 2HG2 ILE 87 10.538 -4.892 9.499 638 3HG2 ILE 87 3HG2 ILE 87 10.115 -4.128 7.939 639 1HD1 ILE 87 1HD1 ILE 87 11.240 -8.109 8.082 640 2HD1 ILE 87 2HD1 ILE 87 10.509 -6.817 9.042 641 3HD1 ILE 87 3HD1 ILE 87 12.199 -7.250 9.292 642 H ASN 88 H ASN 88 14.382 -2.622 8.321 643 HA ASN 88 HA ASN 88 13.256 -0.331 9.307 644 1HB ASN 88 2HB ASN 88 15.986 -1.122 8.609 645 2HB ASN 88 1HB ASN 88 15.671 0.612 8.718 646 1HD2 ASN 88 1HD2 ASN 88 15.603 -2.417 10.465 647 2HD2 ASN 88 2HD2 ASN 88 15.587 -1.727 12.038 648 H THR 89 H THR 89 14.447 -0.802 6.051 649 HA THR 89 HA THR 89 14.311 1.867 5.255 650 HB THR 89 HB THR 89 14.253 -0.752 3.787 651 HG1 THR 89 1HG THR 89 16.155 1.291 4.142 652 1HG2 THR 89 1HG2 THR 89 14.424 2.011 2.598 653 2HG2 THR 89 2HG2 THR 89 13.094 0.833 2.432 654 3HG2 THR 89 3HG2 THR 89 14.674 0.478 1.732 655 H LEU 90 H LEU 90 11.939 -0.677 5.338 656 HA LEU 90 HA LEU 90 9.866 0.765 3.958 657 1HB LEU 90 2HB LEU 90 9.321 -1.291 3.738 658 2HB LEU 90 1HB LEU 90 10.289 -1.891 5.019 659 HG LEU 90 HG LEU 90 8.211 -0.739 6.353 660 1HD1 LEU 90 1HD1 LEU 90 7.041 -0.063 4.463 661 2HD1 LEU 90 2HD1 LEU 90 6.149 -1.337 5.305 662 3HD1 LEU 90 3HD1 LEU 90 7.043 -1.706 3.829 663 1HD2 LEU 90 1HD2 LEU 90 7.289 -3.012 6.583 664 2HD2 LEU 90 2HD2 LEU 90 9.025 -2.853 6.841 665 3HD2 LEU 90 3HD2 LEU 90 8.429 -3.544 5.325 666 H ASN 91 H ASN 91 10.808 0.043 7.209 667 HA ASN 91 HA ASN 91 8.807 1.262 8.689 668 1HB ASN 91 2HB ASN 91 11.746 0.958 9.120 669 2HB ASN 91 1HB ASN 91 10.785 1.839 10.271 670 1HD2 ASN 91 1HD2 ASN 91 9.402 -0.912 8.633 671 2HD2 ASN 91 2HD2 ASN 91 9.463 -1.982 9.984 672 H ASP 92 H ASP 92 11.506 2.750 6.993 673 HA ASP 92 HA ASP 92 11.054 5.441 7.799 674 1HB ASP 92 2HB ASP 92 13.150 4.852 6.729 675 2HB ASP 92 1HB ASP 92 12.300 4.279 5.299 676 H TRP 93 H TRP 93 9.887 3.494 5.138 677 HA TRP 93 HA TRP 93 8.261 5.506 3.961 678 1HB TRP 93 2HB TRP 93 8.305 2.540 3.768 679 2HB TRP 93 1HB TRP 93 7.165 3.482 2.833 680 HD1 TRP 93 HD TRP 93 10.559 2.055 2.651 681 HE1 TRP 93 1HE TRP 93 11.875 3.015 0.691 682 HE3 TRP 93 3HE TRP 93 7.553 6.029 1.522 683 HZ2 TRP 93 2HZ TRP 93 11.691 5.167 -1.113 684 HZ3 TRP 93 3HZ TRP 93 8.199 7.491 -0.346 685 HH2 TRP 93 HH TRP 93 10.221 7.072 -1.631 686 H GLU 94 H GLU 94 7.698 3.236 6.490 687 HA GLU 94 HA GLU 94 4.917 3.830 6.770 688 1HB GLU 94 2HB GLU 94 6.894 2.663 8.722 689 2HB GLU 94 1HB GLU 94 5.154 2.722 8.972 690 1HG GLU 94 2HG GLU 94 4.819 1.397 7.017 691 2HG GLU 94 1HG GLU 94 6.565 1.262 6.759 692 H THR 95 H THR 95 7.215 5.831 6.905 693 HA THR 95 HA THR 95 6.119 7.426 9.124 694 HB THR 95 HB THR 95 8.874 7.602 7.882 695 HG1 THR 95 1HG THR 95 8.736 5.726 9.123 696 1HG2 THR 95 1HG2 THR 95 9.392 9.069 9.812 697 2HG2 THR 95 2HG2 THR 95 7.718 8.931 10.351 698 3HG2 THR 95 3HG2 THR 95 8.089 9.734 8.826 699 H LYS 96 H LYS 96 7.195 7.246 5.768 700 HA LYS 96 HA LYS 96 6.939 10.046 5.232 701 1HB LYS 96 2HB LYS 96 7.316 7.671 3.400 702 2HB LYS 96 1HB LYS 96 7.490 9.360 2.937 703 1HG LYS 96 2HG LYS 96 9.124 8.025 5.064 704 2HG LYS 96 1HG LYS 96 9.677 8.165 3.411 705 1HD LYS 96 2HD LYS 96 9.578 10.609 3.593 706 2HD LYS 96 1HD LYS 96 8.948 10.468 5.233 707 1HE LYS 96 2HE LYS 96 11.349 10.968 5.200 708 2HE LYS 96 1HE LYS 96 10.995 9.425 5.970 709 1HZ LYS 96 1HZ LYS 96 11.932 9.712 3.155 710 2HZ LYS 96 2HZ LYS 96 11.775 8.261 4.058 711 3HZ LYS 96 3HZ LYS 96 12.900 9.396 4.492 712 H PHE 97 H PHE 97 5.239 7.087 4.498 713 HA PHE 97 HA PHE 97 3.081 8.351 3.171 714 1HB PHE 97 2HB PHE 97 3.630 5.660 4.276 715 2HB PHE 97 1HB PHE 97 2.033 6.040 3.713 716 HD1 PHE 97 1HD PHE 97 1.606 6.257 1.324 717 HD2 PHE 97 2HD PHE 97 5.527 5.449 2.749 718 HE1 PHE 97 1HE PHE 97 2.290 5.617 -0.945 719 HE2 PHE 97 2HE PHE 97 6.218 4.813 0.470 720 HZ PHE 97 HZ PHE 97 4.599 4.897 -1.376 721 H GLU 98 H GLU 98 3.761 7.244 6.396 722 HA GLU 98 HA GLU 98 1.134 7.258 7.421 723 1HB GLU 98 2HB GLU 98 3.634 6.444 8.250 724 2HB GLU 98 1HB GLU 98 3.231 7.725 9.378 725 1HG GLU 98 2HG GLU 98 1.570 5.268 8.819 726 2HG GLU 98 1HG GLU 98 2.624 5.505 10.199 727 H ALA 99 H ALA 99 3.461 9.832 6.986 728 HA ALA 99 HA ALA 99 1.984 11.600 8.784 729 1HB ALA 99 1HB ALA 99 3.853 13.088 8.460 730 2HB ALA 99 2HB ALA 99 4.476 12.009 7.230 731 3HB ALA 99 3HB ALA 99 4.460 11.478 8.930 732 H LYS 100 H LYS 100 1.605 10.578 5.751 733 HA LYS 100 HA LYS 100 1.215 13.293 4.751 734 1HB LYS 100 2HB LYS 100 3.238 11.993 3.927 735 2HB LYS 100 1HB LYS 100 2.092 10.971 3.103 736 1HG LYS 100 2HG LYS 100 2.862 12.474 1.485 737 2HG LYS 100 1HG LYS 100 1.250 13.017 2.010 738 1HD LYS 100 2HD LYS 100 3.596 14.104 3.380 739 2HD LYS 100 1HD LYS 100 3.305 14.754 1.755 740 1HE LYS 100 2HE LYS 100 1.520 14.973 4.251 741 2HE LYS 100 1HE LYS 100 2.357 16.218 3.385 742 1HZ LYS 100 1HZ LYS 100 0.114 14.674 2.183 743 2HZ LYS 100 2HZ LYS 100 0.953 15.932 1.486 744 3HZ LYS 100 3HZ LYS 100 0.018 16.218 2.839 745 H TYR 101 H TYR 101 0.247 9.914 4.701 746 HA TYR 101 HA TYR 101 -2.289 10.674 3.431 747 1HB TYR 101 2HB TYR 101 -0.877 8.007 3.307 748 2HB TYR 101 1HB TYR 101 -2.317 8.494 2.423 749 HD1 TYR 101 1HD TYR 101 1.203 8.250 2.383 750 HD2 TYR 101 2HD TYR 101 -2.025 10.419 0.690 751 HE1 TYR 101 1HE TYR 101 2.665 8.965 0.551 752 HE2 TYR 101 2HE TYR 101 -0.570 11.148 -1.162 753 HH TYR 101 HH TYR 101 1.897 11.437 -1.574 754 HA PRO 102 HA PRO 102 -3.969 9.028 7.190 755 1HB PRO 102 2HB PRO 102 -6.525 8.910 6.515 756 2HB PRO 102 1HB PRO 102 -5.702 10.477 6.618 757 1HG PRO 102 2HG PRO 102 -6.277 8.791 4.212 758 2HG PRO 102 1HG PRO 102 -6.581 10.520 4.421 759 1HD PRO 102 2HD PRO 102 -4.366 9.590 3.143 760 2HD PRO 102 1HD PRO 102 -4.367 11.069 4.140 761 H VAL 103 H VAL 103 -4.320 7.058 8.014 762 HA VAL 103 HA VAL 103 -4.508 4.737 6.306 763 HB VAL 103 HB VAL 103 -4.873 4.881 9.332 764 1HG1 VAL 103 1HG1 VAL 103 -4.490 2.435 9.281 765 2HG1 VAL 103 2HG1 VAL 103 -4.484 2.502 7.514 766 3HG1 VAL 103 3HG1 VAL 103 -5.944 2.919 8.408 767 1HG2 VAL 103 1HG2 VAL 103 -2.598 5.516 8.662 768 2HG2 VAL 103 2HG2 VAL 103 -2.469 4.018 7.729 769 3HG2 VAL 103 3HG2 VAL 103 -2.611 3.951 9.475 770 H VAL 104 H VAL 104 -6.317 4.691 5.216 771 HA VAL 104 HA VAL 104 -8.763 5.539 6.437 772 HB VAL 104 HB VAL 104 -9.864 4.942 4.233 773 1HG1 VAL 104 1HG1 VAL 104 -8.828 6.797 3.004 774 2HG1 VAL 104 2HG1 VAL 104 -7.458 6.758 4.112 775 3HG1 VAL 104 3HG1 VAL 104 -9.058 7.203 4.708 776 1HG2 VAL 104 1HG2 VAL 104 -8.407 4.481 2.319 777 2HG2 VAL 104 2HG2 VAL 104 -8.267 3.196 3.529 778 3HG2 VAL 104 3HG2 VAL 104 -7.015 4.432 3.397 779 H GLY 105 H GLY 105 -7.485 2.445 5.348 780 1HA GLY 105 2HA GLY 105 -9.194 1.164 7.262 781 2HA GLY 105 1HA GLY 105 -9.605 0.811 5.591 782 H ARG 106 H ARG 106 -9.027 -1.223 5.403 783 HA ARG 106 HA ARG 106 -6.225 -1.960 5.979 784 1HB ARG 106 2HB ARG 106 -7.035 -4.173 6.625 785 2HB ARG 106 1HB ARG 106 -7.408 -3.014 7.837 786 1HG ARG 106 2HG ARG 106 -9.698 -2.916 7.091 787 2HG ARG 106 1HG ARG 106 -9.296 -3.985 5.741 788 1HD ARG 106 2HD ARG 106 -10.294 -5.240 7.547 789 2HD ARG 106 1HD ARG 106 -8.591 -5.633 7.183 790 HE ARG 106 HE ARG 106 -8.769 -3.724 9.263 791 1HH1 ARG 106 1HH1 ARG 106 -9.158 -7.232 8.707 792 2HH1 ARG 106 2HH1 ARG 106 -8.847 -7.647 10.318 793 1HH2 ARG 106 1HH2 ARG 106 -8.366 -4.355 11.524 794 2HH2 ARG 106 2HH2 ARG 106 -8.413 -6.005 11.933 795 H VAL 107 H VAL 107 -5.479 -3.668 4.805 796 HA VAL 107 HA VAL 107 -7.328 -4.706 2.855 797 HB VAL 107 HB VAL 107 -5.363 -3.547 1.779 798 1HG1 VAL 107 1HG1 VAL 107 -3.818 -5.724 3.078 799 2HG1 VAL 107 2HG1 VAL 107 -3.687 -3.966 3.357 800 3HG1 VAL 107 3HG1 VAL 107 -3.205 -4.662 1.800 801 1HG2 VAL 107 1HG2 VAL 107 -4.894 -5.416 0.235 802 2HG2 VAL 107 2HG2 VAL 107 -6.615 -5.250 0.710 803 3HG2 VAL 107 3HG2 VAL 107 -5.622 -6.473 1.473 804 H VAL 108 H VAL 108 -7.612 -6.760 2.828 805 HA VAL 108 HA VAL 108 -6.331 -8.329 4.919 806 HB VAL 108 HB VAL 108 -8.531 -9.478 5.215 807 1HG1 VAL 108 1HG1 VAL 108 -7.872 -7.497 6.500 808 2HG1 VAL 108 2HG1 VAL 108 -9.663 -7.497 6.169 809 3HG1 VAL 108 3HG1 VAL 108 -8.580 -6.523 5.206 810 1HG2 VAL 108 1HG2 VAL 108 -10.491 -8.545 4.242 811 2HG2 VAL 108 2HG2 VAL 108 -9.369 -8.905 2.878 812 3HG2 VAL 108 3HG2 VAL 108 -9.507 -7.263 3.581 813 H SER 109 H SER 109 -5.948 -10.460 4.460 814 HA SER 109 HA SER 109 -6.366 -11.306 1.740 815 1HB SER 109 2HB SER 109 -4.303 -10.065 1.718 816 2HB SER 109 1HB SER 109 -3.727 -10.952 3.125 817 HG SER 109 HG SER 109 -4.327 -12.065 0.559 Start of MODEL 17 1 1H MET 1 1HT MET 1 -13.319 -6.983 -7.628 2 2H MET 1 2HT MET 1 -14.902 -6.468 -7.878 3 3H MET 1 3HT MET 1 -14.523 -8.110 -7.958 4 HA MET 1 HA MET 1 -15.640 -7.508 -5.887 5 1HB MET 1 2HB MET 1 -12.739 -8.339 -5.635 6 2HB MET 1 1HB MET 1 -13.909 -8.474 -4.332 7 1HG MET 1 2HG MET 1 -13.526 -10.616 -5.367 8 2HG MET 1 1HG MET 1 -15.168 -10.093 -5.694 9 1HE MET 1 1HE MET 1 -15.266 -12.023 -7.561 10 2HE MET 1 2HE MET 1 -13.588 -12.450 -7.232 11 3HE MET 1 3HE MET 1 -14.112 -12.156 -8.889 12 H GLY 2 H GLY 2 -14.973 -6.629 -3.594 13 1HA GLY 2 2HA GLY 2 -13.368 -4.980 -2.612 14 2HA GLY 2 1HA GLY 2 -13.709 -4.012 -4.040 15 H HIS 3 H HIS 3 -14.099 -3.197 -1.360 16 HA HIS 3 HA HIS 3 -17.017 -2.829 -1.380 17 1HB HIS 3 2HB HIS 3 -15.205 -3.007 1.036 18 2HB HIS 3 1HB HIS 3 -16.906 -2.592 1.087 19 HD1 HIS 3 1HD HIS 3 -18.523 -4.515 1.231 20 HD2 HIS 3 2HD HIS 3 -14.654 -5.738 0.366 21 HE1 HIS 3 1HE HIS 3 -18.533 -6.986 1.480 22 HE2 HIS 3 2HE HIS 3 -16.108 -7.581 1.384 23 H HIS 4 H HIS 4 -17.676 -0.796 -0.352 24 HA HIS 4 HA HIS 4 -15.659 1.203 0.125 25 1HB HIS 4 2HB HIS 4 -17.848 1.651 -1.936 26 2HB HIS 4 1HB HIS 4 -16.974 2.962 -1.158 27 HD1 HIS 4 1HD HIS 4 -14.520 3.329 -1.877 28 HD2 HIS 4 2HD HIS 4 -16.458 0.268 -3.894 29 HE1 HIS 4 1HE HIS 4 -13.029 2.743 -3.787 30 HE2 HIS 4 2HE HIS 4 -14.049 0.616 -4.654 31 H HIS 5 H HIS 5 -16.229 0.842 2.190 32 HA HIS 5 HA HIS 5 -18.900 1.801 2.941 33 1HB HIS 5 2HB HIS 5 -18.381 -0.585 3.462 34 2HB HIS 5 1HB HIS 5 -17.027 -0.051 4.444 35 HD1 HIS 5 1HD HIS 5 -17.559 -0.049 6.822 36 HD2 HIS 5 2HD HIS 5 -20.915 0.618 4.492 37 HE1 HIS 5 1HE HIS 5 -19.499 0.096 8.440 38 HE2 HIS 5 2HE HIS 5 -21.367 0.921 6.984 39 H HIS 6 H HIS 6 -18.570 3.902 3.274 40 HA HIS 6 HA HIS 6 -16.043 4.895 4.213 41 1HB HIS 6 2HB HIS 6 -18.580 6.392 3.534 42 2HB HIS 6 1HB HIS 6 -17.028 7.132 3.899 43 HD1 HIS 6 1HD HIS 6 -18.980 5.627 1.163 44 HD2 HIS 6 2HD HIS 6 -15.016 6.652 1.865 45 HE1 HIS 6 1HE HIS 6 -17.875 5.598 -1.073 46 HE2 HIS 6 2HE HIS 6 -15.604 6.517 -0.654 47 H HIS 7 H HIS 7 -15.974 6.632 5.863 48 HA HIS 7 HA HIS 7 -16.192 7.467 7.947 49 1HB HIS 7 2HB HIS 7 -18.957 6.221 7.939 50 2HB HIS 7 1HB HIS 7 -18.368 7.360 9.144 51 HD1 HIS 7 1HD HIS 7 -20.174 7.204 6.024 52 HD2 HIS 7 2HD HIS 7 -17.716 9.985 7.882 53 HE1 HIS 7 1HE HIS 7 -20.625 9.364 4.873 54 HE2 HIS 7 2HE HIS 7 -18.818 10.852 5.731 55 H HIS 8 H HIS 8 -15.607 4.505 7.270 56 HA HIS 8 HA HIS 8 -15.048 3.743 10.020 57 1HB HIS 8 2HB HIS 8 -16.405 1.934 7.992 58 2HB HIS 8 1HB HIS 8 -15.686 1.368 9.489 59 HD1 HIS 8 1HD HIS 8 -17.134 1.490 11.551 60 HD2 HIS 8 2HD HIS 8 -18.782 3.490 8.320 61 HE1 HIS 8 1HE HIS 8 -19.500 1.998 12.213 62 HE2 HIS 8 2HE HIS 8 -20.372 3.436 10.344 63 H LEU 9 H LEU 9 -13.469 1.803 9.887 64 HA LEU 9 HA LEU 9 -11.611 2.502 7.829 65 1HB LEU 9 2HB LEU 9 -9.960 1.076 8.935 66 2HB LEU 9 1HB LEU 9 -10.693 2.148 10.086 67 HG LEU 9 HG LEU 9 -10.299 0.135 11.181 68 1HD1 LEU 9 1HD1 LEU 9 -13.208 0.105 10.539 69 2HD1 LEU 9 2HD1 LEU 9 -12.395 1.012 11.814 70 3HD1 LEU 9 3HD1 LEU 9 -12.438 -0.752 11.875 71 1HD2 LEU 9 1HD2 LEU 9 -11.057 -2.075 10.439 72 2HD2 LEU 9 2HD2 LEU 9 -9.893 -1.340 9.331 73 3HD2 LEU 9 3HD2 LEU 9 -11.609 -1.358 8.925 74 H GLU 10 H GLU 10 -11.011 1.354 6.150 75 HA GLU 10 HA GLU 10 -12.922 -0.651 5.304 76 1HB GLU 10 2HB GLU 10 -10.894 1.021 3.896 77 2HB GLU 10 1HB GLU 10 -11.668 -0.343 3.103 78 1HG GLU 10 2HG GLU 10 -13.165 1.900 4.390 79 2HG GLU 10 1HG GLU 10 -12.723 1.874 2.680 80 H GLU 11 H GLU 11 -12.510 -2.785 4.966 81 HA GLU 11 HA GLU 11 -9.833 -3.618 5.266 82 1HB GLU 11 2HB GLU 11 -11.348 -4.843 6.611 83 2HB GLU 11 1HB GLU 11 -12.459 -5.057 5.263 84 1HG GLU 11 2HG GLU 11 -10.987 -6.429 4.123 85 2HG GLU 11 1HG GLU 11 -9.660 -6.171 5.194 86 H PHE 12 H PHE 12 -8.756 -3.760 3.573 87 HA PHE 12 HA PHE 12 -10.049 -4.382 1.043 88 1HB PHE 12 2HB PHE 12 -7.485 -3.146 1.839 89 2HB PHE 12 1HB PHE 12 -7.836 -3.905 0.295 90 HD1 PHE 12 1HD PHE 12 -9.122 -2.696 -1.355 91 HD2 PHE 12 2HD PHE 12 -8.773 -1.104 2.583 92 HE1 PHE 12 1HE PHE 12 -10.122 -0.592 -2.115 93 HE2 PHE 12 2HE PHE 12 -9.772 0.992 1.822 94 HZ PHE 12 HZ PHE 12 -10.452 1.257 -0.525 95 H THR 13 H THR 13 -9.572 -6.269 0.136 96 HA THR 13 HA THR 13 -7.458 -7.815 1.392 97 HB THR 13 HB THR 13 -9.263 -8.674 -0.904 98 HG1 THR 13 1HG THR 13 -10.194 -8.053 1.321 99 1HG2 THR 13 1HG2 THR 13 -7.664 -10.136 1.151 100 2HG2 THR 13 2HG2 THR 13 -7.225 -9.899 -0.544 101 3HG2 THR 13 3HG2 THR 13 -8.636 -10.910 -0.125 102 H ALA 14 H ALA 14 -5.562 -8.372 0.198 103 HA ALA 14 HA ALA 14 -4.518 -6.344 -1.351 104 1HB ALA 14 1HB ALA 14 -3.565 -9.203 -1.350 105 2HB ALA 14 2HB ALA 14 -3.193 -7.971 -0.131 106 3HB ALA 14 3HB ALA 14 -2.644 -7.758 -1.792 107 H GLU 15 H GLU 15 -5.835 -9.417 -2.543 108 HA GLU 15 HA GLU 15 -5.385 -8.989 -5.276 109 1HB GLU 15 2HB GLU 15 -7.709 -10.396 -3.977 110 2HB GLU 15 1HB GLU 15 -7.315 -10.488 -5.680 111 1HG GLU 15 2HG GLU 15 -5.172 -11.529 -5.108 112 2HG GLU 15 1HG GLU 15 -5.604 -11.461 -3.400 113 H GLN 16 H GLN 16 -7.874 -7.758 -3.173 114 HA GLN 16 HA GLN 16 -9.486 -6.692 -5.310 115 1HB GLN 16 2HB GLN 16 -9.631 -6.343 -2.311 116 2HB GLN 16 1HB GLN 16 -10.565 -5.366 -3.415 117 1HG GLN 16 2HG GLN 16 -12.007 -7.040 -2.551 118 2HG GLN 16 1HG GLN 16 -11.666 -7.418 -4.221 119 1HE2 GLN 16 1HE2 GLN 16 -9.191 -8.808 -3.748 120 2HE2 GLN 16 2HE2 GLN 16 -9.604 -10.272 -2.917 121 H LEU 17 H LEU 17 -7.025 -5.550 -3.107 122 HA LEU 17 HA LEU 17 -7.346 -2.803 -3.556 123 1HB LEU 17 2HB LEU 17 -6.041 -3.769 -1.722 124 2HB LEU 17 1HB LEU 17 -4.810 -4.273 -2.862 125 HG LEU 17 HG LEU 17 -4.734 -1.806 -3.534 126 1HD1 LEU 17 1HD1 LEU 17 -5.283 -0.242 -1.761 127 2HD1 LEU 17 2HD1 LEU 17 -6.024 -1.574 -0.867 128 3HD1 LEU 17 3HD1 LEU 17 -6.703 -1.069 -2.418 129 1HD2 LEU 17 1HD2 LEU 17 -3.164 -1.286 -1.806 130 2HD2 LEU 17 2HD2 LEU 17 -2.951 -2.918 -2.471 131 3HD2 LEU 17 3HD2 LEU 17 -3.706 -2.694 -0.871 132 H SER 18 H SER 18 -5.634 -5.309 -5.261 133 HA SER 18 HA SER 18 -3.986 -3.703 -6.873 134 1HB SER 18 2HB SER 18 -5.090 -6.453 -7.435 135 2HB SER 18 1HB SER 18 -3.690 -5.720 -8.227 136 HG SER 18 HG SER 18 -3.533 -5.608 -5.517 137 H GLN 19 H GLN 19 -7.275 -3.909 -6.874 138 HA GLN 19 HA GLN 19 -7.718 -3.512 -9.724 139 1HB GLN 19 2HB GLN 19 -9.620 -3.230 -7.391 140 2HB GLN 19 1HB GLN 19 -10.056 -3.251 -9.092 141 1HG GLN 19 2HG GLN 19 -9.304 -5.568 -9.270 142 2HG GLN 19 1HG GLN 19 -8.818 -5.544 -7.579 143 1HE2 GLN 19 1HE2 GLN 19 -11.655 -3.937 -8.681 144 2HE2 GLN 19 2HE2 GLN 19 -12.819 -4.956 -7.972 145 H TYR 20 H TYR 20 -7.004 -1.721 -6.933 146 HA TYR 20 HA TYR 20 -8.032 0.828 -7.910 147 1HB TYR 20 2HB TYR 20 -6.827 -0.120 -5.327 148 2HB TYR 20 1HB TYR 20 -7.281 1.550 -5.549 149 HD1 TYR 20 1HD TYR 20 -8.421 -1.836 -4.887 150 HD2 TYR 20 2HD TYR 20 -9.718 2.102 -5.789 151 HE1 TYR 20 1HE TYR 20 -10.692 -2.422 -4.140 152 HE2 TYR 20 2HE TYR 20 -11.983 1.530 -5.055 153 HH TYR 20 HH TYR 20 -12.670 -1.309 -3.323 154 H ASN 21 H ASN 21 -5.784 -0.687 -9.041 155 HA ASN 21 HA ASN 21 -3.203 0.226 -8.306 156 1HB ASN 21 2HB ASN 21 -2.422 -0.640 -10.357 157 2HB ASN 21 1HB ASN 21 -3.526 -1.770 -9.601 158 1HD2 ASN 21 1HD2 ASN 21 -5.418 -2.344 -10.605 159 2HD2 ASN 21 2HD2 ASN 21 -5.879 -1.786 -12.172 160 H GLY 22 H GLY 22 -5.490 2.171 -9.603 161 1HA GLY 22 2HA GLY 22 -5.145 4.468 -9.864 162 2HA GLY 22 1HA GLY 22 -3.429 4.161 -9.981 163 H THR 23 H THR 23 -4.025 2.142 -12.265 164 HA THR 23 HA THR 23 -4.282 4.324 -14.211 165 HB THR 23 HB THR 23 -2.194 2.948 -14.271 166 HG1 THR 23 1HG THR 23 -3.837 3.628 -16.319 167 1HG2 THR 23 1HG2 THR 23 -3.109 0.732 -13.864 168 2HG2 THR 23 2HG2 THR 23 -2.272 0.743 -15.419 169 3HG2 THR 23 3HG2 THR 23 -4.032 0.813 -15.363 170 H ASP 24 H ASP 24 -6.311 2.691 -12.835 171 HA ASP 24 HA ASP 24 -7.696 1.954 -15.147 172 1HB ASP 24 2HB ASP 24 -8.288 0.928 -12.928 173 2HB ASP 24 1HB ASP 24 -8.875 2.496 -12.387 174 H GLU 25 H GLU 25 -10.201 3.472 -14.964 175 HA GLU 25 HA GLU 25 -9.057 6.058 -15.239 176 1HB GLU 25 2HB GLU 25 -11.060 4.788 -17.119 177 2HB GLU 25 1HB GLU 25 -10.422 6.429 -17.217 178 1HG GLU 25 2HG GLU 25 -8.160 5.493 -17.507 179 2HG GLU 25 1HG GLU 25 -8.864 3.883 -17.532 180 H SER 26 H SER 26 -9.606 6.137 -13.266 181 HA SER 26 HA SER 26 -10.858 7.264 -11.788 182 1HB SER 26 2HB SER 26 -13.031 6.848 -13.729 183 2HB SER 26 1HB SER 26 -13.355 7.435 -12.112 184 HG SER 26 HG SER 26 -11.558 8.543 -14.031 185 H LYS 27 H LYS 27 -10.109 5.541 -10.541 186 HA LYS 27 HA LYS 27 -12.372 4.518 -9.061 187 1HB LYS 27 2HB LYS 27 -9.760 3.011 -9.498 188 2HB LYS 27 1HB LYS 27 -11.035 2.530 -8.400 189 1HG LYS 27 2HG LYS 27 -12.511 2.321 -10.449 190 2HG LYS 27 1HG LYS 27 -11.049 2.535 -11.385 191 1HD LYS 27 2HD LYS 27 -9.987 0.631 -10.267 192 2HD LYS 27 1HD LYS 27 -11.460 0.360 -9.338 193 1HE LYS 27 2HE LYS 27 -11.256 0.344 -12.297 194 2HE LYS 27 1HE LYS 27 -11.210 -1.147 -11.334 195 1HZ LYS 27 1HZ LYS 27 -13.419 -0.827 -12.188 196 2HZ LYS 27 2HZ LYS 27 -13.466 0.774 -11.683 197 3HZ LYS 27 3HZ LYS 27 -13.500 -0.459 -10.543 198 HA PRO 28 HA PRO 28 -10.037 6.762 -5.971 199 1HB PRO 28 2HB PRO 28 -10.682 4.568 -4.076 200 2HB PRO 28 1HB PRO 28 -11.017 6.298 -3.920 201 1HG PRO 28 2HG PRO 28 -13.015 4.645 -4.445 202 2HG PRO 28 1HG PRO 28 -12.895 6.190 -5.301 203 1HD PRO 28 2HD PRO 28 -12.108 3.456 -6.260 204 2HD PRO 28 1HD PRO 28 -13.036 4.713 -7.104 205 H ILE 29 H ILE 29 -7.990 6.587 -4.858 206 HA ILE 29 HA ILE 29 -6.538 4.240 -5.853 207 HB ILE 29 HB ILE 29 -5.319 7.014 -5.393 208 1HG1 ILE 29 2HG1 ILE 29 -5.145 7.130 -7.910 209 2HG1 ILE 29 1HG1 ILE 29 -6.314 5.829 -8.018 210 1HG2 ILE 29 1HG2 ILE 29 -4.377 4.645 -6.949 211 2HG2 ILE 29 2HG2 ILE 29 -3.821 5.057 -5.347 212 3HG2 ILE 29 3HG2 ILE 29 -3.494 6.148 -6.715 213 1HD1 ILE 29 1HD1 ILE 29 -6.728 8.598 -6.920 214 2HD1 ILE 29 2HD1 ILE 29 -7.954 7.323 -6.905 215 3HD1 ILE 29 3HD1 ILE 29 -7.333 7.948 -8.440 216 H TYR 30 H TYR 30 -5.098 3.101 -4.326 217 HA TYR 30 HA TYR 30 -4.935 4.173 -1.661 218 1HB TYR 30 2HB TYR 30 -6.376 1.579 -2.266 219 2HB TYR 30 1HB TYR 30 -5.870 2.100 -0.674 220 HD1 TYR 30 1HD TYR 30 -6.927 4.290 0.201 221 HD2 TYR 30 2HD TYR 30 -8.477 2.081 -3.079 222 HE1 TYR 30 1HE TYR 30 -9.117 5.354 0.524 223 HE2 TYR 30 2HE TYR 30 -10.665 3.137 -2.764 224 HH TYR 30 HH TYR 30 -11.081 5.858 -0.803 225 H VAL 31 H VAL 31 -3.038 3.575 -0.887 226 HA VAL 31 HA VAL 31 -1.748 1.270 -2.135 227 HB VAL 31 HB VAL 31 -0.498 3.308 -2.741 228 1HG1 VAL 31 1HG1 VAL 31 -0.243 3.828 0.169 229 2HG1 VAL 31 2HG1 VAL 31 -1.153 4.766 -1.061 230 3HG1 VAL 31 3HG1 VAL 31 0.622 4.616 -1.163 231 1HG2 VAL 31 1HG2 VAL 31 0.903 1.716 -0.665 232 2HG2 VAL 31 2HG2 VAL 31 1.642 2.854 -1.819 233 3HG2 VAL 31 3HG2 VAL 31 0.774 1.394 -2.419 234 H ALA 32 H ALA 32 -0.954 -0.296 -0.835 235 HA ALA 32 HA ALA 32 -1.561 0.093 1.993 236 1HB ALA 32 1HB ALA 32 -1.794 -2.311 2.170 237 2HB ALA 32 2HB ALA 32 -1.364 -2.506 0.472 238 3HB ALA 32 3HB ALA 32 -2.855 -1.680 0.914 239 H ILE 33 H ILE 33 -0.040 0.118 3.350 240 HA ILE 33 HA ILE 33 2.602 -0.931 2.604 241 HB ILE 33 HB ILE 33 1.887 1.466 4.283 242 1HG1 ILE 33 2HG1 ILE 33 3.385 1.223 1.674 243 2HG1 ILE 33 1HG1 ILE 33 1.801 1.946 1.921 244 1HG2 ILE 33 1HG2 ILE 33 4.296 1.815 4.569 245 2HG2 ILE 33 2HG2 ILE 33 4.582 0.221 3.857 246 3HG2 ILE 33 3HG2 ILE 33 3.685 0.361 5.365 247 1HD1 ILE 33 1HD1 ILE 33 4.394 2.949 3.056 248 2HD1 ILE 33 2HD1 ILE 33 2.811 3.698 3.283 249 3HD1 ILE 33 3HD1 ILE 33 3.537 3.629 1.663 250 H LYS 34 H LYS 34 3.148 -2.605 3.804 251 HA LYS 34 HA LYS 34 3.567 -3.962 5.553 252 1HB LYS 34 2HB LYS 34 4.020 -1.897 6.890 253 2HB LYS 34 1HB LYS 34 2.320 -1.752 7.250 254 1HG LYS 34 2HG LYS 34 4.049 -4.031 8.155 255 2HG LYS 34 1HG LYS 34 3.783 -2.578 9.109 256 1HD LYS 34 2HD LYS 34 1.357 -3.064 9.121 257 2HD LYS 34 1HD LYS 34 1.662 -4.550 8.225 258 1HE LYS 34 2HE LYS 34 3.059 -5.352 10.075 259 2HE LYS 34 1HE LYS 34 2.718 -3.873 10.966 260 1HZ LYS 34 1HZ LYS 34 0.701 -5.872 10.112 261 2HZ LYS 34 2HZ LYS 34 0.380 -4.456 10.969 262 3HZ LYS 34 3HZ LYS 34 1.303 -5.673 11.677 263 H GLY 35 H GLY 35 0.514 -2.436 6.081 264 1HA GLY 35 2HA GLY 35 -1.112 -4.453 5.128 265 2HA GLY 35 1HA GLY 35 -0.982 -4.747 6.843 266 H ARG 36 H ARG 36 -0.673 -1.576 5.538 267 HA ARG 36 HA ARG 36 -3.082 -0.680 6.945 268 1HB ARG 36 2HB ARG 36 -0.459 0.727 6.438 269 2HB ARG 36 1HB ARG 36 -1.765 1.260 7.486 270 1HG ARG 36 2HG ARG 36 -1.295 -0.441 9.083 271 2HG ARG 36 1HG ARG 36 -0.210 -1.265 7.961 272 1HD ARG 36 2HD ARG 36 1.057 -0.056 9.638 273 2HD ARG 36 1HD ARG 36 1.315 0.646 8.044 274 HE ARG 36 HE ARG 36 -0.791 1.900 9.422 275 1HH1 ARG 36 1HH1 ARG 36 2.803 1.823 9.167 276 2HH1 ARG 36 2HH1 ARG 36 2.990 3.365 9.824 277 1HH2 ARG 36 1HH2 ARG 36 -0.460 4.041 10.357 278 2HH2 ARG 36 2HH2 ARG 36 1.129 4.646 10.487 279 H VAL 37 H VAL 37 -4.454 0.231 5.454 280 HA VAL 37 HA VAL 37 -3.398 0.811 2.811 281 HB VAL 37 HB VAL 37 -6.256 0.567 3.799 282 1HG1 VAL 37 1HG1 VAL 37 -6.112 2.293 2.045 283 2HG1 VAL 37 2HG1 VAL 37 -6.927 0.841 1.460 284 3HG1 VAL 37 3HG1 VAL 37 -5.243 1.151 1.015 285 1HG2 VAL 37 1HG2 VAL 37 -6.295 -1.360 2.306 286 2HG2 VAL 37 2HG2 VAL 37 -5.031 -1.518 3.534 287 3HG2 VAL 37 3HG2 VAL 37 -4.610 -1.052 1.885 288 H PHE 38 H PHE 38 -2.811 2.709 2.297 289 HA PHE 38 HA PHE 38 -3.767 5.046 3.783 290 1HB PHE 38 2HB PHE 38 -1.469 4.530 1.958 291 2HB PHE 38 1HB PHE 38 -1.835 6.138 2.565 292 HD1 PHE 38 1HD PHE 38 -0.971 6.817 4.626 293 HD2 PHE 38 2HD PHE 38 -0.829 2.686 3.612 294 HE1 PHE 38 1HE PHE 38 0.477 6.396 6.539 295 HE2 PHE 38 2HE PHE 38 0.625 2.269 5.542 296 HZ PHE 38 HZ PHE 38 1.287 4.115 7.006 297 H ASP 39 H ASP 39 -4.831 6.653 2.700 298 HA ASP 39 HA ASP 39 -5.765 6.031 0.017 299 1HB ASP 39 2HB ASP 39 -7.408 6.975 1.576 300 2HB ASP 39 1HB ASP 39 -6.414 8.418 1.769 301 H VAL 40 H VAL 40 -4.955 6.765 -1.745 302 HA VAL 40 HA VAL 40 -3.293 9.156 -1.610 303 HB VAL 40 HB VAL 40 -1.923 8.160 -3.523 304 1HG1 VAL 40 1HG1 VAL 40 -1.829 6.777 -0.849 305 2HG1 VAL 40 2HG1 VAL 40 -1.056 8.310 -1.266 306 3HG1 VAL 40 3HG1 VAL 40 -0.529 6.817 -2.042 307 1HG2 VAL 40 1HG2 VAL 40 -3.201 5.619 -2.551 308 2HG2 VAL 40 2HG2 VAL 40 -1.902 5.751 -3.751 309 3HG2 VAL 40 3HG2 VAL 40 -3.506 6.425 -4.083 310 H THR 41 H THR 41 -6.118 8.629 -2.231 311 HA THR 41 HA THR 41 -6.485 9.118 -5.010 312 HB THR 41 HB THR 41 -8.369 9.753 -2.698 313 HG1 THR 41 1HG THR 41 -8.230 7.650 -2.455 314 1HG2 THR 41 1HG2 THR 41 -10.139 9.463 -4.381 315 2HG2 THR 41 2HG2 THR 41 -8.916 9.136 -5.610 316 3HG2 THR 41 3HG2 THR 41 -9.013 10.733 -4.869 317 H THR 42 H THR 42 -5.763 10.909 -2.168 318 HA THR 42 HA THR 42 -6.377 13.510 -2.986 319 HB THR 42 HB THR 42 -4.752 14.116 -1.173 320 HG1 THR 42 1HG THR 42 -3.617 12.515 -0.168 321 1HG2 THR 42 1HG2 THR 42 -6.052 13.078 0.656 322 2HG2 THR 42 2HG2 THR 42 -6.739 11.932 -0.497 323 3HG2 THR 42 3HG2 THR 42 -7.107 13.650 -0.639 324 H GLY 43 H GLY 43 -3.608 11.407 -3.374 325 1HA GLY 43 2HA GLY 43 -2.155 13.450 -4.914 326 2HA GLY 43 1HA GLY 43 -1.441 12.005 -4.199 327 H LYS 44 H LYS 44 -4.348 12.373 -6.108 328 HA LYS 44 HA LYS 44 -4.039 10.055 -7.622 329 1HB LYS 44 2HB LYS 44 -6.161 11.289 -7.361 330 2HB LYS 44 1HB LYS 44 -5.531 12.556 -8.405 331 1HG LYS 44 2HG LYS 44 -5.263 10.789 -10.195 332 2HG LYS 44 1HG LYS 44 -6.166 9.712 -9.140 333 1HD LYS 44 2HD LYS 44 -8.031 11.331 -9.115 334 2HD LYS 44 1HD LYS 44 -7.053 12.331 -10.207 335 1HE LYS 44 2HE LYS 44 -7.076 10.554 -11.884 336 2HE LYS 44 1HE LYS 44 -8.049 9.552 -10.814 337 1HZ LYS 44 1HZ LYS 44 -9.820 11.222 -10.938 338 2HZ LYS 44 2HZ LYS 44 -9.427 10.633 -12.464 339 3HZ LYS 44 3HZ LYS 44 -8.881 12.147 -11.990 340 H SER 45 H SER 45 -2.990 13.372 -8.275 341 HA SER 45 HA SER 45 -2.268 13.035 -10.950 342 1HB SER 45 2HB SER 45 -1.040 14.877 -8.901 343 2HB SER 45 1HB SER 45 -0.934 15.045 -10.654 344 HG SER 45 HG SER 45 -3.274 15.127 -10.641 345 H PHE 46 H PHE 46 -0.797 11.776 -8.155 346 HA PHE 46 HA PHE 46 1.679 11.247 -9.619 347 1HB PHE 46 2HB PHE 46 1.029 10.980 -6.679 348 2HB PHE 46 1HB PHE 46 2.575 10.553 -7.389 349 HD1 PHE 46 1HD PHE 46 0.461 13.215 -6.166 350 HD2 PHE 46 2HD PHE 46 4.010 12.336 -8.336 351 HE1 PHE 46 1HE PHE 46 1.234 15.530 -5.834 352 HE2 PHE 46 2HE PHE 46 4.787 14.647 -8.011 353 HZ PHE 46 HZ PHE 46 3.396 16.246 -6.755 354 H TYR 47 H TYR 47 -0.819 9.667 -7.651 355 HA TYR 47 HA TYR 47 0.226 7.061 -8.341 356 1HB TYR 47 2HB TYR 47 -1.933 7.899 -6.423 357 2HB TYR 47 1HB TYR 47 -1.487 6.222 -6.737 358 HD1 TYR 47 1HD TYR 47 -0.112 9.459 -5.541 359 HD2 TYR 47 2HD TYR 47 0.295 5.231 -5.589 360 HE1 TYR 47 1HE TYR 47 1.664 9.612 -3.872 361 HE2 TYR 47 2HE TYR 47 2.076 5.375 -3.912 362 HH TYR 47 HH TYR 47 3.692 6.978 -3.109 363 H GLY 48 H GLY 48 -2.833 8.850 -9.045 364 1HA GLY 48 2HA GLY 48 -3.597 6.468 -10.606 365 2HA GLY 48 1HA GLY 48 -4.745 7.508 -9.787 366 H SER 49 H SER 49 -1.993 8.541 -11.579 367 HA SER 49 HA SER 49 -3.312 9.154 -14.014 368 1HB SER 49 2HB SER 49 -4.511 10.683 -12.588 369 2HB SER 49 1HB SER 49 -3.024 11.477 -12.103 370 HG SER 49 HG SER 49 -3.978 11.296 -14.768 371 H GLY 50 H GLY 50 -0.659 9.708 -11.804 372 1HA GLY 50 2HA GLY 50 0.893 11.096 -13.801 373 2HA GLY 50 1HA GLY 50 1.402 10.702 -12.165 374 H GLY 51 H GLY 51 0.364 7.914 -12.829 375 1HA GLY 51 2HA GLY 51 1.202 5.928 -13.636 376 2HA GLY 51 1HA GLY 51 2.188 6.832 -14.784 377 H ASP 52 H ASP 52 3.470 8.293 -12.803 378 HA ASP 52 HA ASP 52 5.794 6.857 -12.399 379 1HB ASP 52 2HB ASP 52 5.499 9.264 -12.543 380 2HB ASP 52 1HB ASP 52 4.773 9.251 -10.945 381 H TYR 53 H TYR 53 3.003 7.131 -10.318 382 HA TYR 53 HA TYR 53 4.371 5.405 -8.369 383 1HB TYR 53 2HB TYR 53 2.288 7.519 -7.914 384 2HB TYR 53 1HB TYR 53 2.657 6.290 -6.717 385 HD1 TYR 53 1HD TYR 53 4.765 6.340 -5.515 386 HD2 TYR 53 2HD TYR 53 3.820 9.334 -8.378 387 HE1 TYR 53 1HE TYR 53 6.535 7.759 -4.594 388 HE2 TYR 53 2HE TYR 53 5.604 10.769 -7.462 389 HH TYR 53 HH TYR 53 7.966 9.615 -5.347 390 H SER 54 H SER 54 2.648 4.814 -10.810 391 HA SER 54 HA SER 54 0.094 3.891 -10.020 392 1HB SER 54 2HB SER 54 0.808 4.373 -12.326 393 2HB SER 54 1HB SER 54 1.868 2.931 -12.182 394 HG SER 54 HG SER 54 -0.705 2.343 -11.519 395 H MET 55 H MET 55 3.228 2.462 -9.768 396 HA MET 55 HA MET 55 2.283 -0.224 -9.518 397 1HB MET 55 2HB MET 55 4.648 -0.781 -9.063 398 2HB MET 55 1HB MET 55 4.453 0.154 -10.530 399 1HG MET 55 2HG MET 55 5.544 1.169 -7.877 400 2HG MET 55 1HG MET 55 6.367 0.851 -9.407 401 1HE MET 55 1HE MET 55 6.431 2.343 -11.474 402 2HE MET 55 2HE MET 55 5.325 3.690 -11.751 403 3HE MET 55 3HE MET 55 4.706 2.041 -11.677 404 H PHE 56 H PHE 56 2.592 2.400 -7.502 405 HA PHE 56 HA PHE 56 2.470 0.829 -5.015 406 1HB PHE 56 2HB PHE 56 2.704 3.788 -5.554 407 2HB PHE 56 1HB PHE 56 2.397 3.111 -3.965 408 HD1 PHE 56 1HD PHE 56 4.118 2.696 -2.595 409 HD2 PHE 56 2HD PHE 56 4.868 2.902 -6.766 410 HE1 PHE 56 1HE PHE 56 6.461 2.550 -2.139 411 HE2 PHE 56 2HE PHE 56 7.284 2.746 -6.342 412 HZ PHE 56 HZ PHE 56 8.111 2.570 -4.022 413 H ALA 57 H ALA 57 0.720 3.025 -7.034 414 HA ALA 57 HA ALA 57 -1.331 4.096 -5.649 415 1HB ALA 57 1HB ALA 57 -2.488 4.304 -7.719 416 2HB ALA 57 2HB ALA 57 -1.547 2.985 -8.408 417 3HB ALA 57 3HB ALA 57 -0.757 4.499 -7.977 418 H GLY 58 H GLY 58 -1.158 0.824 -6.358 419 1HA GLY 58 2HA GLY 58 -3.555 0.271 -4.944 420 2HA GLY 58 1HA GLY 58 -3.805 -0.050 -6.625 421 H LYS 59 H LYS 59 -0.885 -0.449 -4.658 422 HA LYS 59 HA LYS 59 -1.305 -3.200 -4.749 423 1HB LYS 59 2HB LYS 59 -0.034 -2.853 -6.812 424 2HB LYS 59 1HB LYS 59 1.136 -1.880 -5.942 425 1HG LYS 59 2HG LYS 59 1.972 -4.132 -6.334 426 2HG LYS 59 1HG LYS 59 1.804 -3.753 -4.620 427 1HD LYS 59 2HD LYS 59 -0.591 -4.921 -4.968 428 2HD LYS 59 1HD LYS 59 0.333 -5.587 -6.327 429 1HE LYS 59 2HE LYS 59 1.950 -6.530 -4.935 430 2HE LYS 59 1HE LYS 59 1.266 -5.564 -3.593 431 1HZ LYS 59 1HZ LYS 59 -0.356 -7.642 -4.951 432 2HZ LYS 59 2HZ LYS 59 -0.619 -6.876 -3.461 433 3HZ LYS 59 3HZ LYS 59 0.598 -8.009 -3.621 434 H ASP 60 H ASP 60 -0.574 -4.081 -2.992 435 HA ASP 60 HA ASP 60 0.191 -2.666 -0.723 436 1HB ASP 60 2HB ASP 60 0.951 -5.518 -1.188 437 2HB ASP 60 1HB ASP 60 0.287 -4.730 0.240 438 H ALA 61 H ALA 61 2.075 -1.623 -0.658 439 HA ALA 61 HA ALA 61 4.320 -2.626 -2.242 440 1HB ALA 61 1HB ALA 61 3.872 0.107 -1.054 441 2HB ALA 61 2HB ALA 61 3.528 -0.390 -2.715 442 3HB ALA 61 3HB ALA 61 5.192 -0.361 -2.138 443 H SER 62 H SER 62 3.516 -3.615 0.429 444 HA SER 62 HA SER 62 5.049 -2.716 2.521 445 1HB SER 62 2HB SER 62 4.295 -5.565 1.921 446 2HB SER 62 1HB SER 62 4.640 -4.864 3.502 447 HG SER 62 HG SER 62 2.424 -5.051 3.035 448 H ARG 63 H ARG 63 5.858 -5.527 0.414 449 HA ARG 63 HA ARG 63 8.465 -5.738 1.522 450 1HB ARG 63 2HB ARG 63 7.347 -7.636 0.314 451 2HB ARG 63 1HB ARG 63 7.612 -6.769 -1.202 452 1HG ARG 63 2HG ARG 63 10.096 -6.695 -0.396 453 2HG ARG 63 1HG ARG 63 9.601 -8.045 0.614 454 1HD ARG 63 2HD ARG 63 9.333 -7.906 -2.375 455 2HD ARG 63 1HD ARG 63 10.645 -8.688 -1.519 456 HE ARG 63 HE ARG 63 8.319 -9.859 -0.628 457 1HH1 ARG 63 1HH1 ARG 63 10.013 -9.357 -3.701 458 2HH1 ARG 63 2HH1 ARG 63 9.538 -10.833 -4.403 459 1HH2 ARG 63 1HH2 ARG 63 7.672 -12.031 -1.618 460 2HH2 ARG 63 2HH2 ARG 63 8.205 -12.319 -3.199 461 H ALA 64 H ALA 64 7.142 -3.794 -1.026 462 HA ALA 64 HA ALA 64 9.470 -3.647 -2.686 463 1HB ALA 64 1HB ALA 64 8.250 -1.902 -3.888 464 2HB ALA 64 2HB ALA 64 7.011 -1.900 -2.629 465 3HB ALA 64 3HB ALA 64 7.254 -3.332 -3.630 466 H LEU 65 H LEU 65 8.020 -1.804 -0.180 467 HA LEU 65 HA LEU 65 9.615 0.499 -0.303 468 1HB LEU 65 2HB LEU 65 8.044 -0.855 1.774 469 2HB LEU 65 1HB LEU 65 8.909 0.615 2.135 470 HG LEU 65 HG LEU 65 6.607 0.194 0.234 471 1HD1 LEU 65 1HD1 LEU 65 6.892 1.812 2.770 472 2HD1 LEU 65 2HD1 LEU 65 6.010 0.306 2.554 473 3HD1 LEU 65 3HD1 LEU 65 5.485 1.758 1.713 474 1HD2 LEU 65 1HD2 LEU 65 8.222 2.647 0.768 475 2HD2 LEU 65 2HD2 LEU 65 6.693 2.624 -0.095 476 3HD2 LEU 65 3HD2 LEU 65 8.113 1.801 -0.785 477 H GLY 66 H GLY 66 9.957 -2.505 1.518 478 1HA GLY 66 2HA GLY 66 12.253 -1.564 2.923 479 2HA GLY 66 1HA GLY 66 11.694 -3.224 2.884 480 H LYS 67 H LYS 67 11.732 -3.078 -0.087 481 HA LYS 67 HA LYS 67 14.509 -3.885 -0.417 482 1HB LYS 67 2HB LYS 67 12.304 -3.844 -2.458 483 2HB LYS 67 1HB LYS 67 13.815 -4.719 -2.564 484 1HG LYS 67 2HG LYS 67 11.553 -5.259 -0.665 485 2HG LYS 67 1HG LYS 67 11.973 -6.214 -2.083 486 1HD LYS 67 2HD LYS 67 13.598 -5.868 0.444 487 2HD LYS 67 1HD LYS 67 12.724 -7.305 -0.096 488 1HE LYS 67 2HE LYS 67 14.155 -7.373 -2.086 489 2HE LYS 67 1HE LYS 67 15.027 -5.998 -1.410 490 1HZ LYS 67 1HZ LYS 67 16.184 -8.056 -0.892 491 2HZ LYS 67 2HZ LYS 67 14.819 -8.625 -0.055 492 3HZ LYS 67 3HZ LYS 67 15.639 -7.266 0.501 493 H MET 68 H MET 68 12.266 -1.448 -1.481 494 HA MET 68 HA MET 68 12.456 0.594 -2.256 495 1HB MET 68 2HB MET 68 15.472 0.184 -2.439 496 2HB MET 68 1HB MET 68 14.641 1.711 -2.719 497 1HG MET 68 2HG MET 68 13.795 1.606 -0.366 498 2HG MET 68 1HG MET 68 14.766 0.171 -0.141 499 1HE MET 68 1HE MET 68 15.738 3.436 -2.171 500 2HE MET 68 2HE MET 68 16.546 4.371 -0.913 501 3HE MET 68 3HE MET 68 14.819 4.031 -0.790 502 H SER 69 H SER 69 12.236 -1.909 -3.575 503 HA SER 69 HA SER 69 12.982 -1.519 -6.356 504 1HB SER 69 2HB SER 69 11.292 -3.577 -4.988 505 2HB SER 69 1HB SER 69 11.982 -3.677 -6.602 506 HG SER 69 HG SER 69 12.988 -4.718 -4.709 507 H LYS 70 H LYS 70 11.332 -1.271 -8.004 508 HA LYS 70 HA LYS 70 8.660 -0.653 -6.944 509 1HB LYS 70 2HB LYS 70 9.923 0.750 -9.315 510 2HB LYS 70 1HB LYS 70 8.332 1.069 -8.648 511 1HG LYS 70 2HG LYS 70 9.568 2.819 -7.731 512 2HG LYS 70 1HG LYS 70 9.654 1.548 -6.492 513 1HD LYS 70 2HD LYS 70 11.829 0.857 -7.254 514 2HD LYS 70 1HD LYS 70 11.737 2.024 -8.578 515 1HE LYS 70 2HE LYS 70 11.674 3.860 -6.943 516 2HE LYS 70 1HE LYS 70 11.767 2.684 -5.639 517 1HZ LYS 70 1HZ LYS 70 13.911 3.678 -6.113 518 2HZ LYS 70 2HZ LYS 70 13.859 3.115 -7.700 519 3HZ LYS 70 3HZ LYS 70 13.945 2.019 -6.411 520 H ASN 71 H ASN 71 10.234 -2.866 -8.491 521 HA ASN 71 HA ASN 71 8.446 -3.336 -10.714 522 1HB ASN 71 2HB ASN 71 9.817 -5.445 -10.971 523 2HB ASN 71 1HB ASN 71 10.755 -3.961 -11.093 524 1HD2 ASN 71 1HD2 ASN 71 10.246 -6.878 -9.295 525 2HD2 ASN 71 2HD2 ASN 71 11.550 -6.584 -8.190 526 H GLU 72 H GLU 72 6.966 -4.700 -10.926 527 HA GLU 72 HA GLU 72 5.182 -4.795 -8.812 528 1HB GLU 72 2HB GLU 72 4.965 -4.707 -11.340 529 2HB GLU 72 1HB GLU 72 5.042 -6.456 -11.312 530 1HG GLU 72 2HG GLU 72 3.080 -4.765 -9.884 531 2HG GLU 72 1HG GLU 72 2.749 -5.457 -11.468 532 H GLU 73 H GLU 73 7.310 -7.288 -10.092 533 HA GLU 73 HA GLU 73 6.202 -9.452 -8.631 534 1HB GLU 73 2HB GLU 73 8.913 -9.082 -9.865 535 2HB GLU 73 1HB GLU 73 8.430 -10.563 -9.055 536 1HG GLU 73 2HG GLU 73 7.001 -9.353 -11.403 537 2HG GLU 73 1HG GLU 73 8.173 -10.667 -11.508 538 H ASP 74 H ASP 74 8.296 -6.890 -7.627 539 HA ASP 74 HA ASP 74 9.017 -8.448 -5.251 540 1HB ASP 74 2HB ASP 74 10.832 -7.276 -6.671 541 2HB ASP 74 1HB ASP 74 10.180 -5.781 -6.040 542 H VAL 75 H VAL 75 6.740 -6.366 -6.330 543 HA VAL 75 HA VAL 75 6.381 -5.041 -3.768 544 HB VAL 75 HB VAL 75 4.437 -4.947 -6.131 545 1HG1 VAL 75 1HG1 VAL 75 5.025 -2.983 -3.967 546 2HG1 VAL 75 2HG1 VAL 75 3.693 -4.133 -3.932 547 3HG1 VAL 75 3HG1 VAL 75 3.731 -2.848 -5.154 548 1HG2 VAL 75 1HG2 VAL 75 5.480 -2.842 -6.845 549 2HG2 VAL 75 2HG2 VAL 75 6.600 -4.212 -6.980 550 3HG2 VAL 75 3HG2 VAL 75 6.740 -3.075 -5.637 551 H SER 76 H SER 76 4.460 -5.559 -2.427 552 HA SER 76 HA SER 76 2.980 -7.904 -2.729 553 1HB SER 76 2HB SER 76 5.262 -8.931 -2.903 554 2HB SER 76 1HB SER 76 5.642 -8.312 -1.310 555 HG SER 76 HG SER 76 3.988 -10.420 -2.062 556 HA PRO 77 HA PRO 77 1.427 -6.054 1.072 557 1HB PRO 77 2HB PRO 77 -0.168 -8.031 1.978 558 2HB PRO 77 1HB PRO 77 -0.575 -7.074 0.548 559 1HG PRO 77 2HG PRO 77 0.656 -9.799 0.703 560 2HG PRO 77 1HG PRO 77 -0.645 -9.225 -0.354 561 1HD PRO 77 2HD PRO 77 1.919 -9.458 -1.197 562 2HD PRO 77 1HD PRO 77 0.823 -8.204 -1.812 563 H SER 78 H SER 78 3.090 -9.008 1.143 564 HA SER 78 HA SER 78 3.317 -9.145 4.104 565 1HB SER 78 2HB SER 78 2.906 -11.192 2.498 566 2HB SER 78 1HB SER 78 4.560 -10.722 2.021 567 HG SER 78 HG SER 78 3.705 -11.757 4.479 568 H LEU 79 H LEU 79 5.184 -9.402 5.051 569 HA LEU 79 HA LEU 79 7.246 -7.820 3.826 570 1HB LEU 79 2HB LEU 79 7.047 -8.839 6.666 571 2HB LEU 79 1HB LEU 79 8.230 -7.738 5.981 572 HG LEU 79 HG LEU 79 5.334 -7.195 6.500 573 1HD1 LEU 79 1HD1 LEU 79 6.799 -6.850 8.406 574 2HD1 LEU 79 2HD1 LEU 79 6.157 -5.321 7.805 575 3HD1 LEU 79 3HD1 LEU 79 7.810 -5.768 7.446 576 1HD2 LEU 79 1HD2 LEU 79 5.832 -6.413 4.315 577 2HD2 LEU 79 2HD2 LEU 79 7.258 -5.529 4.883 578 3HD2 LEU 79 3HD2 LEU 79 5.631 -5.025 5.394 579 H GLU 80 H GLU 80 6.250 -10.791 3.669 580 HA GLU 80 HA GLU 80 7.038 -12.646 2.813 581 1HB GLU 80 2HB GLU 80 7.912 -10.997 1.229 582 2HB GLU 80 1HB GLU 80 9.431 -10.973 2.083 583 1HG GLU 80 2HG GLU 80 9.624 -12.372 0.146 584 2HG GLU 80 1HG GLU 80 9.708 -13.287 1.666 585 H GLY 81 H GLY 81 10.325 -11.709 3.449 586 1HA GLY 81 2HA GLY 81 10.288 -13.134 5.870 587 2HA GLY 81 1HA GLY 81 11.316 -13.849 4.610 588 H LEU 82 H LEU 82 10.705 -10.469 4.860 589 HA LEU 82 HA LEU 82 13.327 -9.661 4.653 590 1HB LEU 82 2HB LEU 82 10.867 -8.235 5.609 591 2HB LEU 82 1HB LEU 82 12.388 -7.444 5.243 592 HG LEU 82 HG LEU 82 10.838 -9.038 3.192 593 1HD1 LEU 82 1HD1 LEU 82 10.177 -6.911 2.304 594 2HD1 LEU 82 2HD1 LEU 82 10.923 -6.067 3.671 595 3HD1 LEU 82 3HD1 LEU 82 9.513 -7.133 3.925 596 1HD2 LEU 82 1HD2 LEU 82 12.267 -7.937 1.660 597 2HD2 LEU 82 2HD2 LEU 82 13.312 -8.627 2.956 598 3HD2 LEU 82 3HD2 LEU 82 12.820 -6.926 2.980 599 H THR 83 H THR 83 14.765 -8.956 6.016 600 HA THR 83 HA THR 83 14.427 -9.684 8.788 601 HB THR 83 HB THR 83 16.464 -10.447 7.617 602 HG1 THR 83 1HG THR 83 16.995 -10.269 9.630 603 1HG2 THR 83 1HG2 THR 83 17.076 -7.503 7.311 604 2HG2 THR 83 2HG2 THR 83 16.752 -8.649 6.004 605 3HG2 THR 83 3HG2 THR 83 18.214 -8.804 6.977 606 H GLU 84 H GLU 84 15.834 -7.965 10.194 607 HA GLU 84 HA GLU 84 14.090 -5.807 10.457 608 1HB GLU 84 2HB GLU 84 16.789 -6.255 11.689 609 2HB GLU 84 1HB GLU 84 15.704 -4.948 12.155 610 1HG GLU 84 2HG GLU 84 14.006 -6.566 12.764 611 2HG GLU 84 1HG GLU 84 15.080 -7.884 12.307 612 H LYS 85 H LYS 85 17.294 -5.901 9.010 613 HA LYS 85 HA LYS 85 17.791 -3.216 8.462 614 1HB LYS 85 2HB LYS 85 19.333 -4.995 7.876 615 2HB LYS 85 1HB LYS 85 18.198 -5.629 6.693 616 1HG LYS 85 2HG LYS 85 18.356 -3.369 5.583 617 2HG LYS 85 1HG LYS 85 19.816 -3.100 6.560 618 1HD LYS 85 2HD LYS 85 19.268 -5.323 4.615 619 2HD LYS 85 1HD LYS 85 20.381 -3.985 4.342 620 1HE LYS 85 2HE LYS 85 21.791 -4.786 6.187 621 2HE LYS 85 1HE LYS 85 20.665 -6.112 6.477 622 1HZ LYS 85 1HZ LYS 85 22.259 -5.703 3.988 623 2HZ LYS 85 2HZ LYS 85 21.131 -6.920 4.237 624 3HZ LYS 85 3HZ LYS 85 22.526 -6.887 5.167 625 H GLU 86 H GLU 86 16.112 -5.567 6.539 626 HA GLU 86 HA GLU 86 15.341 -4.037 4.348 627 1HB GLU 86 2HB GLU 86 14.195 -6.452 5.633 628 2HB GLU 86 1HB GLU 86 13.772 -5.890 4.035 629 1HG GLU 86 2HG GLU 86 16.499 -6.803 4.966 630 2HG GLU 86 1HG GLU 86 15.393 -7.780 4.017 631 H ILE 87 H ILE 87 13.560 -5.164 7.177 632 HA ILE 87 HA ILE 87 11.222 -3.967 6.392 633 HB ILE 87 HB ILE 87 12.139 -5.148 8.942 634 1HG1 ILE 87 2HG1 ILE 87 10.141 -6.033 6.867 635 2HG1 ILE 87 1HG1 ILE 87 11.754 -6.645 7.130 636 1HG2 ILE 87 1HG2 ILE 87 9.373 -4.091 8.331 637 2HG2 ILE 87 2HG2 ILE 87 10.484 -3.414 9.527 638 3HG2 ILE 87 3HG2 ILE 87 9.775 -5.028 9.780 639 1HD1 ILE 87 1HD1 ILE 87 10.075 -8.163 8.022 640 2HD1 ILE 87 2HD1 ILE 87 9.464 -6.874 9.060 641 3HD1 ILE 87 3HD1 ILE 87 11.088 -7.512 9.314 642 H ASN 88 H ASN 88 13.791 -2.874 8.657 643 HA ASN 88 HA ASN 88 12.572 -0.569 9.658 644 1HB ASN 88 2HB ASN 88 15.424 -1.296 9.203 645 2HB ASN 88 1HB ASN 88 15.030 0.389 9.514 646 1HD2 ASN 88 1HD2 ASN 88 15.174 -2.811 10.826 647 2HD2 ASN 88 2HD2 ASN 88 14.949 -2.395 12.489 648 H THR 89 H THR 89 14.034 -1.157 6.599 649 HA THR 89 HA THR 89 14.102 1.493 5.736 650 HB THR 89 HB THR 89 13.876 -1.072 4.148 651 HG1 THR 89 1HG THR 89 15.809 -1.218 5.129 652 1HG2 THR 89 1HG2 THR 89 13.276 0.886 2.832 653 2HG2 THR 89 2HG2 THR 89 14.862 0.264 2.325 654 3HG2 THR 89 3HG2 THR 89 14.749 1.698 3.367 655 H LEU 90 H LEU 90 11.503 -0.958 5.614 656 HA LEU 90 HA LEU 90 9.857 0.829 4.089 657 1HB LEU 90 2HB LEU 90 8.724 -0.965 3.572 658 2HB LEU 90 1HB LEU 90 9.601 -1.950 4.698 659 HG LEU 90 HG LEU 90 7.372 -0.269 5.783 660 1HD1 LEU 90 1HD1 LEU 90 6.962 -2.802 4.261 661 2HD1 LEU 90 2HD1 LEU 90 6.516 -1.149 3.777 662 3HD1 LEU 90 3HD1 LEU 90 5.747 -1.886 5.194 663 1HD2 LEU 90 1HD2 LEU 90 7.007 -2.167 7.169 664 2HD2 LEU 90 2HD2 LEU 90 8.718 -1.672 7.225 665 3HD2 LEU 90 3HD2 LEU 90 8.235 -3.100 6.297 666 H ASN 91 H ASN 91 10.251 -0.051 7.357 667 HA ASN 91 HA ASN 91 8.188 1.248 8.666 668 1HB ASN 91 2HB ASN 91 11.064 0.817 9.269 669 2HB ASN 91 1HB ASN 91 10.156 1.828 10.348 670 1HD2 ASN 91 1HD2 ASN 91 8.700 -0.920 8.756 671 2HD2 ASN 91 2HD2 ASN 91 8.601 -1.928 10.152 672 H ASP 92 H ASP 92 10.907 2.475 7.076 673 HA ASP 92 HA ASP 92 10.734 5.238 8.074 674 1HB ASP 92 2HB ASP 92 12.912 4.030 7.121 675 2HB ASP 92 1HB ASP 92 12.088 4.411 5.596 676 H TRP 93 H TRP 93 10.047 3.537 5.047 677 HA TRP 93 HA TRP 93 8.931 5.744 3.751 678 1HB TRP 93 2HB TRP 93 8.575 2.807 3.346 679 2HB TRP 93 1HB TRP 93 7.788 4.005 2.319 680 HD1 TRP 93 HD TRP 93 11.072 2.239 2.874 681 HE1 TRP 93 1HE TRP 93 12.764 2.976 1.111 682 HE3 TRP 93 3HE TRP 93 8.486 6.160 0.871 683 HZ2 TRP 93 2HZ TRP 93 12.989 4.974 -0.896 684 HZ3 TRP 93 3HZ TRP 93 9.513 7.430 -0.966 685 HH2 TRP 93 HH TRP 93 11.713 6.847 -1.826 686 H GLU 94 H GLU 94 7.399 3.303 5.776 687 HA GLU 94 HA GLU 94 4.752 4.060 5.580 688 1HB GLU 94 2HB GLU 94 6.254 3.434 8.149 689 2HB GLU 94 1HB GLU 94 4.508 3.469 7.990 690 1HG GLU 94 2HG GLU 94 4.605 1.661 6.448 691 2HG GLU 94 1HG GLU 94 6.364 1.546 6.592 692 H THR 95 H THR 95 6.933 5.170 7.957 693 HA THR 95 HA THR 95 5.760 7.263 9.209 694 HB THR 95 HB THR 95 8.638 7.223 8.338 695 HG1 THR 95 1HG THR 95 8.155 5.256 9.414 696 1HG2 THR 95 1HG2 THR 95 9.027 8.443 10.451 697 2HG2 THR 95 2HG2 THR 95 7.289 8.471 10.754 698 3HG2 THR 95 3HG2 THR 95 7.959 9.334 9.368 699 H LYS 96 H LYS 96 7.357 7.389 6.053 700 HA LYS 96 HA LYS 96 7.429 10.238 6.077 701 1HB LYS 96 2HB LYS 96 8.175 8.269 3.910 702 2HB LYS 96 1HB LYS 96 8.522 9.998 3.894 703 1HG LYS 96 2HG LYS 96 9.914 9.606 6.060 704 2HG LYS 96 1HG LYS 96 9.572 7.938 5.793 705 1HD LYS 96 2HD LYS 96 10.868 9.605 3.752 706 2HD LYS 96 1HD LYS 96 11.796 8.784 5.003 707 1HE LYS 96 2HE LYS 96 10.854 6.658 4.290 708 2HE LYS 96 1HE LYS 96 9.970 7.435 2.991 709 1HZ LYS 96 1HZ LYS 96 12.084 6.457 2.207 710 2HZ LYS 96 2HZ LYS 96 12.901 7.339 3.363 711 3HZ LYS 96 3HZ LYS 96 12.185 8.147 2.095 712 H PHE 97 H PHE 97 5.712 7.667 4.469 713 HA PHE 97 HA PHE 97 4.059 9.406 2.979 714 1HB PHE 97 2HB PHE 97 3.953 6.530 3.689 715 2HB PHE 97 1HB PHE 97 2.677 7.265 2.763 716 HD1 PHE 97 1HD PHE 97 3.909 8.900 0.800 717 HD2 PHE 97 2HD PHE 97 5.348 5.229 2.384 718 HE1 PHE 97 1HE PHE 97 5.206 8.529 -1.256 719 HE2 PHE 97 2HE PHE 97 6.649 4.854 0.333 720 HZ PHE 97 HZ PHE 97 6.581 6.502 -1.489 721 H GLU 98 H GLU 98 3.867 7.854 6.076 722 HA GLU 98 HA GLU 98 1.229 8.209 6.823 723 1HB GLU 98 2HB GLU 98 3.777 8.133 8.322 724 2HB GLU 98 1HB GLU 98 2.378 8.352 9.277 725 1HG GLU 98 2HG GLU 98 1.593 6.108 8.125 726 2HG GLU 98 1HG GLU 98 3.283 6.034 7.678 727 H ALA 99 H ALA 99 3.527 10.686 6.282 728 HA ALA 99 HA ALA 99 2.312 12.473 8.207 729 1HB ALA 99 1HB ALA 99 4.076 14.020 7.536 730 2HB ALA 99 2HB ALA 99 4.618 12.873 6.306 731 3HB ALA 99 3HB ALA 99 4.742 12.461 8.016 732 H LYS 100 H LYS 100 1.752 11.404 5.145 733 HA LYS 100 HA LYS 100 0.424 13.920 4.486 734 1HB LYS 100 2HB LYS 100 1.818 12.069 2.609 735 2HB LYS 100 1HB LYS 100 0.798 13.317 2.033 736 1HG LYS 100 2HG LYS 100 2.823 14.371 1.810 737 2HG LYS 100 1HG LYS 100 2.462 14.835 3.469 738 1HD LYS 100 2HD LYS 100 4.706 14.035 3.368 739 2HD LYS 100 1HD LYS 100 3.726 12.855 4.236 740 1HE LYS 100 2HE LYS 100 5.169 11.705 2.716 741 2HE LYS 100 1HE LYS 100 3.539 11.497 2.166 742 1HZ LYS 100 1HZ LYS 100 3.939 13.270 0.480 743 2HZ LYS 100 2HZ LYS 100 5.027 12.003 0.321 744 3HZ LYS 100 3HZ LYS 100 5.518 13.404 1.036 745 H TYR 101 H TYR 101 0.537 10.440 3.949 746 HA TYR 101 HA TYR 101 -2.194 10.533 3.011 747 1HB TYR 101 2HB TYR 101 -0.246 8.232 3.066 748 2HB TYR 101 1HB TYR 101 -1.843 8.234 2.318 749 HD1 TYR 101 1HD TYR 101 -1.915 10.811 0.956 750 HD2 TYR 101 2HD TYR 101 1.277 8.022 1.328 751 HE1 TYR 101 1HE TYR 101 -0.936 11.677 -1.107 752 HE2 TYR 101 2HE TYR 101 2.265 8.853 -0.728 753 HH TYR 101 HH TYR 101 1.153 11.817 -2.152 754 HA PRO 102 HA PRO 102 -3.636 9.047 6.914 755 1HB PRO 102 2HB PRO 102 -6.212 8.968 6.332 756 2HB PRO 102 1HB PRO 102 -5.369 10.526 6.371 757 1HG PRO 102 2HG PRO 102 -6.076 8.807 4.026 758 2HG PRO 102 1HG PRO 102 -6.320 10.550 4.203 759 1HD PRO 102 2HD PRO 102 -4.180 9.481 2.873 760 2HD PRO 102 1HD PRO 102 -4.125 11.023 3.765 761 H VAL 103 H VAL 103 -3.898 7.071 7.697 762 HA VAL 103 HA VAL 103 -4.201 4.806 5.926 763 HB VAL 103 HB VAL 103 -4.241 4.789 8.975 764 1HG1 VAL 103 1HG1 VAL 103 -5.277 2.814 8.010 765 2HG1 VAL 103 2HG1 VAL 103 -3.721 2.390 8.733 766 3HG1 VAL 103 3HG1 VAL 103 -3.869 2.552 6.986 767 1HG2 VAL 103 1HG2 VAL 103 -1.966 4.226 7.080 768 2HG2 VAL 103 2HG2 VAL 103 -1.917 4.019 8.827 769 3HG2 VAL 103 3HG2 VAL 103 -2.103 5.633 8.135 770 H VAL 104 H VAL 104 -6.048 4.320 5.158 771 HA VAL 104 HA VAL 104 -8.448 5.110 6.637 772 HB VAL 104 HB VAL 104 -9.702 4.793 4.494 773 1HG1 VAL 104 1HG1 VAL 104 -8.882 6.997 5.160 774 2HG1 VAL 104 2HG1 VAL 104 -8.799 6.813 3.408 775 3HG1 VAL 104 3HG1 VAL 104 -7.336 6.671 4.380 776 1HG2 VAL 104 1HG2 VAL 104 -6.938 4.401 3.346 777 2HG2 VAL 104 2HG2 VAL 104 -8.417 4.598 2.410 778 3HG2 VAL 104 3HG2 VAL 104 -8.202 3.170 3.430 779 H GLY 105 H GLY 105 -6.647 2.393 6.349 780 1HA GLY 105 2HA GLY 105 -8.342 0.839 7.779 781 2HA GLY 105 1HA GLY 105 -8.776 0.492 6.115 782 H ARG 106 H ARG 106 -8.174 -1.603 6.492 783 HA ARG 106 HA ARG 106 -5.296 -2.225 6.878 784 1HB ARG 106 2HB ARG 106 -6.144 -4.535 7.244 785 2HB ARG 106 1HB ARG 106 -6.594 -3.506 8.547 786 1HG ARG 106 2HG ARG 106 -8.837 -3.334 7.718 787 2HG ARG 106 1HG ARG 106 -8.311 -4.102 6.217 788 1HD ARG 106 2HD ARG 106 -9.511 -5.655 7.681 789 2HD ARG 106 1HD ARG 106 -7.844 -6.082 7.271 790 HE ARG 106 HE ARG 106 -7.670 -4.844 9.691 791 1HH1 ARG 106 1HH1 ARG 106 -9.600 -7.578 8.472 792 2HH1 ARG 106 2HH1 ARG 106 -9.488 -8.478 9.911 793 1HH2 ARG 106 1HH2 ARG 106 -7.535 -6.072 11.663 794 2HH2 ARG 106 2HH2 ARG 106 -8.276 -7.601 11.781 795 H VAL 107 H VAL 107 -4.459 -3.882 5.562 796 HA VAL 107 HA VAL 107 -6.231 -4.700 3.432 797 HB VAL 107 HB VAL 107 -4.224 -3.404 2.550 798 1HG1 VAL 107 1HG1 VAL 107 -2.068 -4.537 2.499 799 2HG1 VAL 107 2HG1 VAL 107 -2.744 -5.775 3.578 800 3HG1 VAL 107 3HG1 VAL 107 -2.618 -4.084 4.123 801 1HG2 VAL 107 1HG2 VAL 107 -3.740 -5.031 0.789 802 2HG2 VAL 107 2HG2 VAL 107 -5.473 -4.958 1.221 803 3HG2 VAL 107 3HG2 VAL 107 -4.471 -6.273 1.822 804 H VAL 108 H VAL 108 -6.367 -6.809 3.099 805 HA VAL 108 HA VAL 108 -5.076 -8.500 5.086 806 HB VAL 108 HB VAL 108 -7.233 -9.809 5.209 807 1HG1 VAL 108 1HG1 VAL 108 -7.480 -6.904 5.540 808 2HG1 VAL 108 2HG1 VAL 108 -6.691 -7.935 6.765 809 3HG1 VAL 108 3HG1 VAL 108 -8.461 -8.054 6.417 810 1HG2 VAL 108 1HG2 VAL 108 -8.139 -9.065 3.003 811 2HG2 VAL 108 2HG2 VAL 108 -8.262 -7.449 3.799 812 3HG2 VAL 108 3HG2 VAL 108 -9.227 -8.771 4.399 813 H SER 109 H SER 109 -4.497 -10.516 4.399 814 HA SER 109 HA SER 109 -5.047 -11.175 1.664 815 1HB SER 109 2HB SER 109 -2.597 -11.368 1.152 816 2HB SER 109 1HB SER 109 -3.136 -9.733 1.602 817 HG SER 109 HG SER 109 -2.037 -11.583 3.360 Start of MODEL 18 1 1H MET 1 1HT MET 1 -16.574 -8.596 -4.524 2 2H MET 1 2HT MET 1 -17.984 -9.213 -3.797 3 3H MET 1 3HT MET 1 -17.138 -7.986 -3.049 4 HA MET 1 HA MET 1 -17.690 -6.462 -4.724 5 1HB MET 1 2HB MET 1 -19.182 -8.787 -5.991 6 2HB MET 1 1HB MET 1 -19.375 -7.109 -6.460 7 1HG MET 1 2HG MET 1 -17.956 -8.222 -8.034 8 2HG MET 1 1HG MET 1 -17.009 -7.046 -7.132 9 1HE MET 1 1HE MET 1 -18.182 -10.705 -6.034 10 2HE MET 1 2HE MET 1 -16.771 -11.638 -6.527 11 3HE MET 1 3HE MET 1 -17.775 -10.851 -7.743 12 H GLY 2 H GLY 2 -19.792 -5.376 -4.752 13 1HA GLY 2 2HA GLY 2 -21.907 -4.981 -3.908 14 2HA GLY 2 1HA GLY 2 -21.846 -6.537 -3.093 15 H HIS 3 H HIS 3 -19.425 -4.018 -2.891 16 HA HIS 3 HA HIS 3 -19.532 -4.152 -0.028 17 1HB HIS 3 2HB HIS 3 -17.696 -2.544 0.012 18 2HB HIS 3 1HB HIS 3 -17.361 -3.734 -1.226 19 HD1 HIS 3 1HD HIS 3 -17.186 -2.860 -3.674 20 HD2 HIS 3 2HD HIS 3 -18.212 0.082 -0.921 21 HE1 HIS 3 1HE HIS 3 -16.997 -0.687 -4.900 22 HE2 HIS 3 2HE HIS 3 -18.031 0.963 -3.299 23 H HIS 4 H HIS 4 -20.334 -2.656 1.370 24 HA HIS 4 HA HIS 4 -22.355 -0.897 0.304 25 1HB HIS 4 2HB HIS 4 -21.378 -1.235 3.144 26 2HB HIS 4 1HB HIS 4 -22.761 -0.267 2.672 27 HD1 HIS 4 1HD HIS 4 -21.875 -3.501 3.868 28 HD2 HIS 4 2HD HIS 4 -24.838 -1.996 1.391 29 HE1 HIS 4 1HE HIS 4 -23.675 -5.225 3.874 30 HE2 HIS 4 2HE HIS 4 -25.568 -4.116 2.655 31 H HIS 5 H HIS 5 -22.175 1.249 0.074 32 HA HIS 5 HA HIS 5 -19.524 2.280 0.192 33 1HB HIS 5 2HB HIS 5 -20.438 4.414 -0.766 34 2HB HIS 5 1HB HIS 5 -20.820 2.995 -1.705 35 HD1 HIS 5 1HD HIS 5 -23.282 2.488 -2.112 36 HD2 HIS 5 2HD HIS 5 -22.689 5.652 0.517 37 HE1 HIS 5 1HE HIS 5 -25.524 3.561 -1.833 38 HE2 HIS 5 2HE HIS 5 -25.168 5.409 -0.174 39 H HIS 6 H HIS 6 -18.688 2.536 2.028 40 HA HIS 6 HA HIS 6 -19.757 4.551 3.868 41 1HB HIS 6 2HB HIS 6 -18.622 1.857 4.710 42 2HB HIS 6 1HB HIS 6 -18.972 3.174 5.810 43 HD1 HIS 6 1HD HIS 6 -20.225 0.084 5.244 44 HD2 HIS 6 2HD HIS 6 -22.030 3.822 5.097 45 HE1 HIS 6 1HE HIS 6 -22.680 -0.327 5.597 46 HE2 HIS 6 2HE HIS 6 -23.645 1.962 5.852 47 H HIS 7 H HIS 7 -18.215 6.056 3.593 48 HA HIS 7 HA HIS 7 -15.538 5.082 3.098 49 1HB HIS 7 2HB HIS 7 -16.735 7.757 2.468 50 2HB HIS 7 1HB HIS 7 -15.004 7.456 2.374 51 HD1 HIS 7 1HD HIS 7 -18.141 6.988 0.499 52 HD2 HIS 7 2HD HIS 7 -14.283 5.453 0.432 53 HE1 HIS 7 1HE HIS 7 -17.911 5.853 -1.705 54 HE2 HIS 7 2HE HIS 7 -15.464 5.321 -1.834 55 H HIS 8 H HIS 8 -14.631 4.592 4.825 56 HA HIS 8 HA HIS 8 -13.218 6.597 6.185 57 1HB HIS 8 2HB HIS 8 -15.244 6.685 7.637 58 2HB HIS 8 1HB HIS 8 -15.116 4.949 7.932 59 HD1 HIS 8 1HD HIS 8 -14.455 4.823 10.379 60 HD2 HIS 8 2HD HIS 8 -12.260 7.676 8.302 61 HE1 HIS 8 1HE HIS 8 -12.757 5.660 11.991 62 HE2 HIS 8 2HE HIS 8 -11.260 7.115 10.619 63 H LEU 9 H LEU 9 -14.304 3.272 6.870 64 HA LEU 9 HA LEU 9 -11.660 2.419 6.111 65 1HB LEU 9 2HB LEU 9 -11.375 0.897 7.991 66 2HB LEU 9 1HB LEU 9 -11.543 2.518 8.580 67 HG LEU 9 HG LEU 9 -12.601 1.153 10.126 68 1HD1 LEU 9 1HD1 LEU 9 -14.940 1.764 10.133 69 2HD1 LEU 9 2HD1 LEU 9 -14.751 2.280 8.449 70 3HD1 LEU 9 3HD1 LEU 9 -13.843 3.095 9.717 71 1HD2 LEU 9 1HD2 LEU 9 -14.082 -0.256 7.905 72 2HD2 LEU 9 2HD2 LEU 9 -14.336 -0.541 9.625 73 3HD2 LEU 9 3HD2 LEU 9 -12.780 -0.919 8.889 74 H GLU 10 H GLU 10 -11.643 0.722 4.858 75 HA GLU 10 HA GLU 10 -13.948 -1.027 4.919 76 1HB GLU 10 2HB GLU 10 -14.233 0.579 3.018 77 2HB GLU 10 1HB GLU 10 -12.696 0.025 2.367 78 1HG GLU 10 2HG GLU 10 -13.598 -2.238 2.199 79 2HG GLU 10 1HG GLU 10 -15.143 -1.667 2.790 80 H GLU 11 H GLU 11 -13.380 -3.197 4.532 81 HA GLU 11 HA GLU 11 -10.618 -3.753 4.497 82 1HB GLU 11 2HB GLU 11 -11.917 -5.165 5.837 83 2HB GLU 11 1HB GLU 11 -13.107 -5.420 4.564 84 1HG GLU 11 2HG GLU 11 -11.610 -6.601 3.278 85 2HG GLU 11 1HG GLU 11 -10.236 -6.333 4.303 86 H PHE 12 H PHE 12 -9.513 -4.078 2.759 87 HA PHE 12 HA PHE 12 -10.884 -4.625 0.247 88 1HB PHE 12 2HB PHE 12 -8.285 -3.293 0.900 89 2HB PHE 12 1HB PHE 12 -8.789 -3.932 -0.638 90 HD1 PHE 12 1HD PHE 12 -10.372 -2.654 -2.010 91 HD2 PHE 12 2HD PHE 12 -9.417 -1.354 1.932 92 HE1 PHE 12 1HE PHE 12 -11.459 -0.500 -2.457 93 HE2 PHE 12 2HE PHE 12 -10.510 0.801 1.492 94 HZ PHE 12 HZ PHE 12 -11.534 1.232 -0.709 95 H THR 13 H THR 13 -10.318 -6.518 -0.724 96 HA THR 13 HA THR 13 -8.171 -7.927 0.584 97 HB THR 13 HB THR 13 -9.980 -8.944 -1.629 98 HG1 THR 13 1HG THR 13 -11.106 -8.225 0.287 99 1HG2 THR 13 1HG2 THR 13 -7.959 -10.196 -1.223 100 2HG2 THR 13 2HG2 THR 13 -9.369 -11.131 -0.666 101 3HG2 THR 13 3HG2 THR 13 -8.328 -10.257 0.494 102 H ALA 14 H ALA 14 -6.589 -8.989 -1.019 103 HA ALA 14 HA ALA 14 -5.102 -6.806 -1.915 104 1HB ALA 14 1HB ALA 14 -4.600 -9.640 -2.721 105 2HB ALA 14 2HB ALA 14 -4.172 -8.941 -1.162 106 3HB ALA 14 3HB ALA 14 -3.437 -8.316 -2.643 107 H GLU 15 H GLU 15 -6.724 -9.205 -4.024 108 HA GLU 15 HA GLU 15 -5.839 -7.795 -6.337 109 1HB GLU 15 2HB GLU 15 -7.961 -9.924 -6.072 110 2HB GLU 15 1HB GLU 15 -7.373 -9.287 -7.600 111 1HG GLU 15 2HG GLU 15 -5.128 -10.090 -7.077 112 2HG GLU 15 1HG GLU 15 -5.714 -10.738 -5.549 113 H GLN 16 H GLN 16 -8.545 -7.669 -4.310 114 HA GLN 16 HA GLN 16 -10.188 -6.154 -6.049 115 1HB GLN 16 2HB GLN 16 -10.356 -6.616 -3.070 116 2HB GLN 16 1HB GLN 16 -11.550 -5.659 -3.912 117 1HG GLN 16 2HG GLN 16 -12.566 -7.719 -3.820 118 2HG GLN 16 1HG GLN 16 -11.819 -7.758 -5.405 119 1HE2 GLN 16 1HE2 GLN 16 -9.870 -9.060 -5.616 120 2HE2 GLN 16 2HE2 GLN 16 -9.612 -10.408 -4.578 121 H LEU 17 H LEU 17 -7.758 -5.404 -3.769 122 HA LEU 17 HA LEU 17 -8.099 -2.612 -3.450 123 1HB LEU 17 2HB LEU 17 -6.648 -4.308 -2.159 124 2HB LEU 17 1HB LEU 17 -5.514 -4.187 -3.471 125 HG LEU 17 HG LEU 17 -4.690 -2.877 -1.642 126 1HD1 LEU 17 1HD1 LEU 17 -5.743 -1.021 -3.644 127 2HD1 LEU 17 2HD1 LEU 17 -4.202 -1.916 -3.669 128 3HD1 LEU 17 3HD1 LEU 17 -4.504 -0.681 -2.430 129 1HD2 LEU 17 1HD2 LEU 17 -7.327 -1.477 -1.616 130 2HD2 LEU 17 2HD2 LEU 17 -5.900 -1.045 -0.667 131 3HD2 LEU 17 3HD2 LEU 17 -6.693 -2.594 -0.402 132 H SER 18 H SER 18 -6.570 -4.664 -5.867 133 HA SER 18 HA SER 18 -4.990 -2.735 -7.151 134 1HB SER 18 2HB SER 18 -5.969 -5.419 -8.098 135 2HB SER 18 1HB SER 18 -4.659 -4.476 -8.825 136 HG SER 18 HG SER 18 -3.836 -4.466 -6.552 137 H GLN 19 H GLN 19 -8.177 -2.605 -7.076 138 HA GLN 19 HA GLN 19 -8.554 -1.829 -9.889 139 1HB GLN 19 2HB GLN 19 -10.578 -2.081 -7.653 140 2HB GLN 19 1HB GLN 19 -10.937 -1.822 -9.355 141 1HG GLN 19 2HG GLN 19 -10.095 -4.009 -9.908 142 2HG GLN 19 1HG GLN 19 -9.585 -4.267 -8.240 143 1HE2 GLN 19 1HE2 GLN 19 -11.150 -4.516 -6.677 144 2HE2 GLN 19 2HE2 GLN 19 -12.744 -5.072 -7.055 145 H TYR 20 H TYR 20 -7.330 -0.549 -7.301 146 HA TYR 20 HA TYR 20 -8.434 2.130 -7.735 147 1HB TYR 20 2HB TYR 20 -7.571 0.854 -5.111 148 2HB TYR 20 1HB TYR 20 -8.029 2.555 -5.309 149 HD1 TYR 20 1HD TYR 20 -10.330 3.162 -5.898 150 HD2 TYR 20 2HD TYR 20 -9.277 -0.872 -5.070 151 HE1 TYR 20 1HE TYR 20 -12.701 2.588 -5.729 152 HE2 TYR 20 2HE TYR 20 -11.662 -1.457 -4.890 153 HH TYR 20 HH TYR 20 -13.789 -0.320 -4.444 154 H ASN 21 H ASN 21 -6.469 0.830 -9.057 155 HA ASN 21 HA ASN 21 -3.862 1.775 -8.194 156 1HB ASN 21 2HB ASN 21 -3.057 0.497 -10.136 157 2HB ASN 21 1HB ASN 21 -4.080 -0.492 -9.105 158 1HD2 ASN 21 1HD2 ASN 21 -3.435 -0.903 -11.848 159 2HD2 ASN 21 2HD2 ASN 21 -4.915 -0.911 -12.722 160 H GLY 22 H GLY 22 -6.355 3.277 -9.487 161 1HA GLY 22 2HA GLY 22 -6.360 5.408 -10.419 162 2HA GLY 22 1HA GLY 22 -4.677 5.181 -10.850 163 H THR 23 H THR 23 -6.364 2.522 -12.043 164 HA THR 23 HA THR 23 -6.580 3.984 -14.592 165 HB THR 23 HB THR 23 -5.013 1.974 -14.513 166 HG1 THR 23 1HG THR 23 -6.540 0.987 -16.418 167 1HG2 THR 23 1HG2 THR 23 -6.023 -0.266 -14.642 168 2HG2 THR 23 2HG2 THR 23 -7.614 0.447 -14.365 169 3HG2 THR 23 3HG2 THR 23 -6.380 0.524 -13.107 170 H ASP 24 H ASP 24 -8.399 2.941 -12.195 171 HA ASP 24 HA ASP 24 -10.556 2.376 -13.836 172 1HB ASP 24 2HB ASP 24 -10.251 2.802 -10.917 173 2HB ASP 24 1HB ASP 24 -11.866 2.970 -11.604 174 H GLU 25 H GLU 25 -12.701 4.153 -13.137 175 HA GLU 25 HA GLU 25 -11.478 6.309 -14.487 176 1HB GLU 25 2HB GLU 25 -14.253 5.151 -14.721 177 2HB GLU 25 1HB GLU 25 -13.642 6.560 -15.587 178 1HG GLU 25 2HG GLU 25 -11.968 5.181 -16.689 179 2HG GLU 25 1HG GLU 25 -12.535 3.771 -15.812 180 H SER 26 H SER 26 -10.964 7.209 -12.731 181 HA SER 26 HA SER 26 -11.371 9.032 -11.366 182 1HB SER 26 2HB SER 26 -14.060 8.338 -12.214 183 2HB SER 26 1HB SER 26 -13.905 9.517 -10.962 184 HG SER 26 HG SER 26 -12.476 9.603 -13.416 185 H LYS 27 H LYS 27 -11.506 6.005 -10.493 186 HA LYS 27 HA LYS 27 -12.872 6.508 -7.988 187 1HB LYS 27 2HB LYS 27 -11.540 3.941 -8.889 188 2HB LYS 27 1HB LYS 27 -12.436 4.135 -7.390 189 1HG LYS 27 2HG LYS 27 -14.358 4.906 -9.000 190 2HG LYS 27 1HG LYS 27 -13.412 4.036 -10.190 191 1HD LYS 27 2HD LYS 27 -14.450 2.848 -7.610 192 2HD LYS 27 1HD LYS 27 -15.138 2.581 -9.204 193 1HE LYS 27 2HE LYS 27 -13.036 1.503 -9.908 194 2HE LYS 27 1HE LYS 27 -12.365 1.790 -8.304 195 1HZ LYS 27 1HZ LYS 27 -13.237 -0.469 -8.548 196 2HZ LYS 27 2HZ LYS 27 -14.755 0.136 -8.890 197 3HZ LYS 27 3HZ LYS 27 -14.103 0.372 -7.361 198 HA PRO 28 HA PRO 28 -9.523 7.793 -5.506 199 1HB PRO 28 2HB PRO 28 -10.214 5.598 -3.622 200 2HB PRO 28 1HB PRO 28 -9.999 7.321 -3.299 201 1HG PRO 28 2HG PRO 28 -12.425 6.285 -3.391 202 2HG PRO 28 1HG PRO 28 -12.105 7.864 -4.129 203 1HD PRO 28 2HD PRO 28 -12.466 5.205 -5.434 204 2HD PRO 28 1HD PRO 28 -13.000 6.820 -5.953 205 H ILE 29 H ILE 29 -7.472 7.322 -4.974 206 HA ILE 29 HA ILE 29 -6.397 4.833 -6.100 207 HB ILE 29 HB ILE 29 -4.783 7.194 -5.127 208 1HG1 ILE 29 2HG1 ILE 29 -6.435 8.087 -6.742 209 2HG1 ILE 29 1HG1 ILE 29 -4.784 8.143 -7.377 210 1HG2 ILE 29 1HG2 ILE 29 -3.601 5.097 -5.654 211 2HG2 ILE 29 2HG2 ILE 29 -3.169 6.366 -6.804 212 3HG2 ILE 29 3HG2 ILE 29 -4.311 5.108 -7.269 213 1HD1 ILE 29 1HD1 ILE 29 -6.930 6.179 -8.044 214 2HD1 ILE 29 2HD1 ILE 29 -5.262 6.158 -8.635 215 3HD1 ILE 29 3HD1 ILE 29 -6.330 7.511 -9.056 216 H TYR 30 H TYR 30 -5.243 3.423 -4.672 217 HA TYR 30 HA TYR 30 -4.996 4.313 -1.948 218 1HB TYR 30 2HB TYR 30 -6.422 1.788 -2.819 219 2HB TYR 30 1HB TYR 30 -5.872 2.103 -1.186 220 HD1 TYR 30 1HD TYR 30 -6.811 4.369 -0.149 221 HD2 TYR 30 2HD TYR 30 -8.633 2.254 -3.349 222 HE1 TYR 30 1HE TYR 30 -8.969 5.427 0.384 223 HE2 TYR 30 2HE TYR 30 -10.786 3.308 -2.830 224 HH TYR 30 HH TYR 30 -11.043 5.959 -0.710 225 H VAL 31 H VAL 31 -3.379 3.249 -0.891 226 HA VAL 31 HA VAL 31 -1.949 1.233 -2.409 227 HB VAL 31 HB VAL 31 -0.704 3.399 -2.759 228 1HG1 VAL 31 1HG1 VAL 31 0.411 4.498 -1.063 229 2HG1 VAL 31 2HG1 VAL 31 -0.203 3.365 0.132 230 3HG1 VAL 31 3HG1 VAL 31 -1.329 4.499 -0.683 231 1HG2 VAL 31 1HG2 VAL 31 1.459 2.677 -1.980 232 2HG2 VAL 31 2HG2 VAL 31 0.489 1.439 -2.825 233 3HG2 VAL 31 3HG2 VAL 31 0.655 1.383 -1.052 234 H ALA 32 H ALA 32 -0.775 -0.261 -1.076 235 HA ALA 32 HA ALA 32 -1.744 -0.181 1.679 236 1HB ALA 32 1HB ALA 32 -1.380 -2.604 -0.072 237 2HB ALA 32 2HB ALA 32 -2.916 -1.857 0.362 238 3HB ALA 32 3HB ALA 32 -1.912 -2.597 1.609 239 H ILE 33 H ILE 33 -0.220 0.022 3.062 240 HA ILE 33 HA ILE 33 2.350 -1.291 2.578 241 HB ILE 33 HB ILE 33 1.870 1.324 4.062 242 1HG1 ILE 33 2HG1 ILE 33 3.505 0.669 1.598 243 2HG1 ILE 33 1HG1 ILE 33 1.965 1.495 1.612 244 1HG2 ILE 33 1HG2 ILE 33 3.482 0.016 5.327 245 2HG2 ILE 33 2HG2 ILE 33 4.272 1.380 4.529 246 3HG2 ILE 33 3HG2 ILE 33 4.442 -0.242 3.869 247 1HD1 ILE 33 1HD1 ILE 33 2.918 3.361 2.768 248 2HD1 ILE 33 2HD1 ILE 33 3.850 2.996 1.306 249 3HD1 ILE 33 3HD1 ILE 33 4.459 2.496 2.907 250 H LYS 34 H LYS 34 2.948 -2.661 3.945 251 HA LYS 34 HA LYS 34 2.980 -4.188 5.541 252 1HB LYS 34 2HB LYS 34 2.956 -2.137 7.142 253 2HB LYS 34 1HB LYS 34 1.228 -2.376 7.272 254 1HG LYS 34 2HG LYS 34 3.362 -4.337 8.114 255 2HG LYS 34 1HG LYS 34 2.455 -3.272 9.180 256 1HD LYS 34 2HD LYS 34 0.388 -4.427 8.595 257 2HD LYS 34 1HD LYS 34 1.260 -5.451 7.457 258 1HE LYS 34 2HE LYS 34 2.590 -6.330 9.361 259 2HE LYS 34 1HE LYS 34 1.596 -5.369 10.452 260 1HZ LYS 34 1HZ LYS 34 0.628 -7.549 8.678 261 2HZ LYS 34 2HZ LYS 34 -0.358 -6.618 9.645 262 3HZ LYS 34 3HZ LYS 34 0.775 -7.629 10.345 263 H GLY 35 H GLY 35 -0.185 -2.774 6.062 264 1HA GLY 35 2HA GLY 35 -1.527 -4.460 4.259 265 2HA GLY 35 1HA GLY 35 -1.785 -5.045 5.886 266 H ARG 36 H ARG 36 -1.222 -1.605 5.469 267 HA ARG 36 HA ARG 36 -3.961 -1.153 6.277 268 1HB ARG 36 2HB ARG 36 -1.539 0.638 6.382 269 2HB ARG 36 1HB ARG 36 -3.055 0.848 7.260 270 1HG ARG 36 2HG ARG 36 -2.508 -1.181 8.588 271 2HG ARG 36 1HG ARG 36 -0.986 -1.289 7.682 272 1HD ARG 36 2HD ARG 36 -0.585 -0.246 9.841 273 2HD ARG 36 1HD ARG 36 -0.336 0.917 8.542 274 HE ARG 36 HE ARG 36 -2.962 0.908 9.730 275 1HH1 ARG 36 1HH1 ARG 36 0.268 2.398 9.753 276 2HH1 ARG 36 2HH1 ARG 36 -0.204 3.813 10.535 277 1HH2 ARG 36 1HH2 ARG 36 -3.616 2.825 10.930 278 2HH2 ARG 36 2HH2 ARG 36 -2.472 4.039 11.291 279 H VAL 37 H VAL 37 -5.165 0.176 4.932 280 HA VAL 37 HA VAL 37 -3.936 0.829 2.354 281 HB VAL 37 HB VAL 37 -6.846 0.460 3.096 282 1HG1 VAL 37 1HG1 VAL 37 -7.301 0.724 0.699 283 2HG1 VAL 37 2HG1 VAL 37 -5.589 1.050 0.430 284 3HG1 VAL 37 3HG1 VAL 37 -6.565 2.194 1.352 285 1HG2 VAL 37 1HG2 VAL 37 -5.563 -1.574 2.978 286 2HG2 VAL 37 2HG2 VAL 37 -4.958 -1.114 1.389 287 3HG2 VAL 37 3HG2 VAL 37 -6.674 -1.465 1.611 288 H PHE 38 H PHE 38 -3.623 2.835 1.770 289 HA PHE 38 HA PHE 38 -4.823 4.986 3.424 290 1HB PHE 38 2HB PHE 38 -2.347 5.431 1.834 291 2HB PHE 38 1HB PHE 38 -2.815 6.116 3.386 292 HD1 PHE 38 1HD PHE 38 -2.958 4.343 5.323 293 HD2 PHE 38 2HD PHE 38 -0.738 3.930 1.791 294 HE1 PHE 38 1HE PHE 38 -1.561 2.644 6.416 295 HE2 PHE 38 2HE PHE 38 0.664 2.244 2.834 296 HZ PHE 38 HZ PHE 38 0.245 1.587 5.181 297 H ASP 39 H ASP 39 -5.495 6.841 2.289 298 HA ASP 39 HA ASP 39 -6.105 6.392 -0.521 299 1HB ASP 39 2HB ASP 39 -7.856 7.440 0.858 300 2HB ASP 39 1HB ASP 39 -6.768 8.769 1.240 301 H VAL 40 H VAL 40 -4.845 6.979 -2.067 302 HA VAL 40 HA VAL 40 -3.014 9.193 -1.565 303 HB VAL 40 HB VAL 40 -1.519 8.152 -3.363 304 1HG1 VAL 40 1HG1 VAL 40 -0.949 8.115 -1.019 305 2HG1 VAL 40 2HG1 VAL 40 -0.455 6.642 -1.842 306 3HG1 VAL 40 3HG1 VAL 40 -1.893 6.633 -0.796 307 1HG2 VAL 40 1HG2 VAL 40 -1.694 5.730 -3.644 308 2HG2 VAL 40 2HG2 VAL 40 -3.087 6.587 -4.291 309 3HG2 VAL 40 3HG2 VAL 40 -3.212 5.741 -2.744 310 H THR 41 H THR 41 -5.764 9.101 -2.623 311 HA THR 41 HA THR 41 -5.633 9.791 -5.381 312 HB THR 41 HB THR 41 -7.717 10.680 -3.357 313 HG1 THR 41 1HG THR 41 -7.948 8.593 -3.077 314 1HG2 THR 41 1HG2 THR 41 -7.882 11.645 -5.629 315 2HG2 THR 41 2HG2 THR 41 -9.227 10.560 -5.288 316 3HG2 THR 41 3HG2 THR 41 -7.896 10.017 -6.311 317 H THR 42 H THR 42 -5.135 11.304 -2.341 318 HA THR 42 HA THR 42 -5.227 14.024 -2.997 319 HB THR 42 HB THR 42 -3.712 14.245 -0.979 320 HG1 THR 42 1HG THR 42 -4.055 11.606 -0.265 321 1HG2 THR 42 1HG2 THR 42 -5.396 13.421 0.621 322 2HG2 THR 42 2HG2 THR 42 -6.139 12.460 -0.655 323 3HG2 THR 42 3HG2 THR 42 -6.170 14.222 -0.748 324 H GLY 43 H GLY 43 -2.943 11.552 -3.674 325 1HA GLY 43 2HA GLY 43 -1.218 13.507 -5.010 326 2HA GLY 43 1HA GLY 43 -0.531 12.180 -4.068 327 H LYS 44 H LYS 44 -3.360 12.192 -6.190 328 HA LYS 44 HA LYS 44 -2.940 9.720 -7.340 329 1HB LYS 44 2HB LYS 44 -5.059 10.869 -7.482 330 2HB LYS 44 1HB LYS 44 -4.357 12.117 -8.497 331 1HG LYS 44 2HG LYS 44 -3.885 10.355 -10.201 332 2HG LYS 44 1HG LYS 44 -4.806 9.226 -9.207 333 1HD LYS 44 2HD LYS 44 -6.748 10.696 -9.357 334 2HD LYS 44 1HD LYS 44 -5.770 11.804 -10.319 335 1HE LYS 44 2HE LYS 44 -5.495 10.088 -12.050 336 2HE LYS 44 1HE LYS 44 -6.499 8.984 -11.114 337 1HZ LYS 44 1HZ LYS 44 -8.345 10.551 -11.351 338 2HZ LYS 44 2HZ LYS 44 -7.769 10.040 -12.849 339 3HZ LYS 44 3HZ LYS 44 -7.359 11.573 -12.277 340 H SER 45 H SER 45 -1.747 12.851 -8.373 341 HA SER 45 HA SER 45 -0.781 12.274 -10.888 342 1HB SER 45 2HB SER 45 0.466 14.069 -8.802 343 2HB SER 45 1HB SER 45 0.772 14.139 -10.541 344 HG SER 45 HG SER 45 -0.877 15.358 -10.653 345 H PHE 46 H PHE 46 0.520 11.298 -7.793 346 HA PHE 46 HA PHE 46 3.063 10.459 -8.904 347 1HB PHE 46 2HB PHE 46 1.860 10.060 -6.162 348 2HB PHE 46 1HB PHE 46 3.496 9.631 -6.612 349 HD1 PHE 46 1HD PHE 46 5.091 11.474 -7.201 350 HD2 PHE 46 2HD PHE 46 1.281 12.198 -5.469 351 HE1 PHE 46 1HE PHE 46 5.848 13.685 -6.474 352 HE2 PHE 46 2HE PHE 46 2.024 14.425 -4.740 353 HZ PHE 46 HZ PHE 46 4.309 15.173 -5.238 354 H TYR 47 H TYR 47 0.078 9.049 -7.609 355 HA TYR 47 HA TYR 47 1.097 6.392 -8.073 356 1HB TYR 47 2HB TYR 47 -1.318 7.393 -6.586 357 2HB TYR 47 1HB TYR 47 -0.892 5.690 -6.718 358 HD1 TYR 47 1HD TYR 47 0.140 8.948 -5.344 359 HD2 TYR 47 2HD TYR 47 0.880 4.770 -5.389 360 HE1 TYR 47 1HE TYR 47 1.652 9.208 -3.426 361 HE2 TYR 47 2HE TYR 47 2.395 5.016 -3.460 362 HH TYR 47 HH TYR 47 3.750 6.737 -2.418 363 H GLY 48 H GLY 48 -2.168 7.871 -8.658 364 1HA GLY 48 2HA GLY 48 -2.614 5.782 -10.630 365 2HA GLY 48 1HA GLY 48 -3.815 6.845 -9.917 366 H SER 49 H SER 49 -0.815 7.617 -11.493 367 HA SER 49 HA SER 49 -2.285 8.858 -13.709 368 1HB SER 49 2HB SER 49 -1.826 10.618 -12.041 369 2HB SER 49 1HB SER 49 -0.117 10.203 -12.063 370 HG SER 49 HG SER 49 -0.629 10.641 -14.523 371 H GLY 50 H GLY 50 -0.431 6.465 -13.068 372 1HA GLY 50 2HA GLY 50 1.215 5.310 -14.171 373 2HA GLY 50 1HA GLY 50 1.076 6.493 -15.468 374 H GLY 51 H GLY 51 1.878 7.125 -12.118 375 1HA GLY 51 2HA GLY 51 4.388 8.460 -12.917 376 2HA GLY 51 1HA GLY 51 3.615 8.486 -11.321 377 H ASP 52 H ASP 52 5.909 8.200 -10.875 378 HA ASP 52 HA ASP 52 6.946 5.605 -11.467 379 1HB ASP 52 2HB ASP 52 8.901 6.259 -10.306 380 2HB ASP 52 1HB ASP 52 8.399 7.576 -11.319 381 H TYR 53 H TYR 53 4.918 6.894 -9.147 382 HA TYR 53 HA TYR 53 5.419 4.749 -7.226 383 1HB TYR 53 2HB TYR 53 3.500 7.083 -7.126 384 2HB TYR 53 1HB TYR 53 3.748 5.916 -5.840 385 HD1 TYR 53 1HD TYR 53 5.108 8.813 -7.581 386 HD2 TYR 53 2HD TYR 53 5.767 5.990 -4.476 387 HE1 TYR 53 1HE TYR 53 6.854 10.257 -6.649 388 HE2 TYR 53 2HE TYR 53 7.523 7.432 -3.535 389 HH TYR 53 HH TYR 53 9.018 9.182 -4.304 390 H SER 54 H SER 54 4.097 4.703 -10.049 391 HA SER 54 HA SER 54 1.372 4.078 -9.631 392 1HB SER 54 2HB SER 54 2.366 4.850 -11.809 393 2HB SER 54 1HB SER 54 3.143 3.270 -11.930 394 HG SER 54 HG SER 54 0.341 3.766 -11.845 395 H MET 55 H MET 55 4.244 2.281 -9.083 396 HA MET 55 HA MET 55 3.067 -0.330 -9.511 397 1HB MET 55 2HB MET 55 5.465 0.042 -7.742 398 2HB MET 55 1HB MET 55 5.104 -1.268 -8.844 399 1HG MET 55 2HG MET 55 6.320 1.392 -9.381 400 2HG MET 55 1HG MET 55 6.911 -0.181 -9.752 401 1HE MET 55 1HE MET 55 6.059 -1.763 -11.708 402 2HE MET 55 2HE MET 55 4.742 -1.353 -12.803 403 3HE MET 55 3HE MET 55 4.406 -1.659 -11.098 404 H PHE 56 H PHE 56 3.045 2.032 -7.173 405 HA PHE 56 HA PHE 56 2.589 0.373 -4.838 406 1HB PHE 56 2HB PHE 56 2.496 3.361 -5.292 407 2HB PHE 56 1HB PHE 56 2.284 2.587 -3.740 408 HD1 PHE 56 1HD PHE 56 4.833 2.342 -6.510 409 HD2 PHE 56 2HD PHE 56 4.053 2.951 -2.373 410 HE1 PHE 56 1HE PHE 56 7.236 2.618 -6.102 411 HE2 PHE 56 2HE PHE 56 6.436 3.218 -1.955 412 HZ PHE 56 HZ PHE 56 8.052 3.051 -3.822 413 H ALA 57 H ALA 57 0.943 2.581 -6.974 414 HA ALA 57 HA ALA 57 -1.534 2.845 -5.829 415 1HB ALA 57 1HB ALA 57 -2.364 3.409 -8.036 416 2HB ALA 57 2HB ALA 57 -0.982 2.611 -8.778 417 3HB ALA 57 3HB ALA 57 -0.737 4.073 -7.830 418 H GLY 58 H GLY 58 -2.866 1.335 -5.147 419 1HA GLY 58 2HA GLY 58 -4.191 -0.440 -5.039 420 2HA GLY 58 1HA GLY 58 -4.163 -0.612 -6.757 421 H LYS 59 H LYS 59 -1.291 -0.747 -4.730 422 HA LYS 59 HA LYS 59 -1.370 -3.612 -4.801 423 1HB LYS 59 2HB LYS 59 -0.298 -3.133 -6.934 424 2HB LYS 59 1HB LYS 59 0.782 -2.003 -6.160 425 1HG LYS 59 2HG LYS 59 1.857 -4.131 -6.788 426 2HG LYS 59 1HG LYS 59 1.945 -3.754 -5.072 427 1HD LYS 59 2HD LYS 59 1.527 -6.115 -5.538 428 2HD LYS 59 1HD LYS 59 0.258 -5.412 -4.563 429 1HE LYS 59 2HE LYS 59 -0.681 -6.877 -6.262 430 2HE LYS 59 1HE LYS 59 -1.121 -5.212 -6.656 431 1HZ LYS 59 1HZ LYS 59 1.060 -6.809 -7.891 432 2HZ LYS 59 2HZ LYS 59 0.674 -5.223 -8.312 433 3HZ LYS 59 3HZ LYS 59 -0.411 -6.460 -8.595 434 H ASP 60 H ASP 60 -0.679 -4.442 -3.089 435 HA ASP 60 HA ASP 60 0.412 -3.123 -0.905 436 1HB ASP 60 2HB ASP 60 1.114 -5.543 -0.266 437 2HB ASP 60 1HB ASP 60 -0.599 -5.144 -0.367 438 H ALA 61 H ALA 61 2.188 -2.101 -0.874 439 HA ALA 61 HA ALA 61 4.468 -3.067 -2.470 440 1HB ALA 61 1HB ALA 61 3.859 -0.271 -1.530 441 2HB ALA 61 2HB ALA 61 3.550 -0.902 -3.147 442 3HB ALA 61 3HB ALA 61 5.206 -0.752 -2.563 443 H SER 62 H SER 62 3.673 -3.706 0.375 444 HA SER 62 HA SER 62 5.195 -2.445 2.305 445 1HB SER 62 2HB SER 62 4.611 -5.392 2.180 446 2HB SER 62 1HB SER 62 4.805 -4.369 3.609 447 HG SER 62 HG SER 62 2.595 -4.800 3.058 448 H ARG 63 H ARG 63 6.046 -5.336 0.420 449 HA ARG 63 HA ARG 63 8.669 -5.545 1.485 450 1HB ARG 63 2HB ARG 63 7.659 -7.517 0.709 451 2HB ARG 63 1HB ARG 63 7.284 -6.823 -0.856 452 1HG ARG 63 2HG ARG 63 9.682 -6.781 -1.387 453 2HG ARG 63 1HG ARG 63 10.037 -7.469 0.198 454 1HD ARG 63 2HD ARG 63 8.864 -9.486 -0.371 455 2HD ARG 63 1HD ARG 63 8.332 -8.787 -1.902 456 HE ARG 63 HE ARG 63 10.853 -8.596 -2.300 457 1HH1 ARG 63 1HH1 ARG 63 9.180 -11.290 -0.757 458 2HH1 ARG 63 2HH1 ARG 63 10.329 -12.466 -1.169 459 1HH2 ARG 63 1HH2 ARG 63 12.445 -10.189 -2.885 460 2HH2 ARG 63 2HH2 ARG 63 12.265 -11.818 -2.422 461 H ALA 64 H ALA 64 7.286 -3.868 -1.190 462 HA ALA 64 HA ALA 64 9.606 -3.717 -2.835 463 1HB ALA 64 1HB ALA 64 7.379 -3.453 -3.784 464 2HB ALA 64 2HB ALA 64 8.347 -2.017 -4.080 465 3HB ALA 64 3HB ALA 64 7.117 -2.008 -2.811 466 H LEU 65 H LEU 65 8.162 -1.899 -0.366 467 HA LEU 65 HA LEU 65 9.640 0.462 -0.463 468 1HB LEU 65 2HB LEU 65 8.331 -1.027 1.733 469 2HB LEU 65 1HB LEU 65 8.965 0.588 1.909 470 HG LEU 65 HG LEU 65 6.676 -0.328 0.205 471 1HD1 LEU 65 1HD1 LEU 65 5.436 1.232 1.610 472 2HD1 LEU 65 2HD1 LEU 65 6.871 1.478 2.610 473 3HD1 LEU 65 3HD1 LEU 65 6.121 -0.106 2.507 474 1HD2 LEU 65 1HD2 LEU 65 7.964 2.317 0.467 475 2HD2 LEU 65 2HD2 LEU 65 6.402 2.033 -0.321 476 3HD2 LEU 65 3HD2 LEU 65 7.899 1.339 -1.007 477 H GLY 66 H GLY 66 10.250 -2.581 1.228 478 1HA GLY 66 2HA GLY 66 12.572 -1.455 2.528 479 2HA GLY 66 1HA GLY 66 11.997 -3.106 2.692 480 H LYS 67 H LYS 67 11.896 -3.270 -0.280 481 HA LYS 67 HA LYS 67 14.684 -4.066 -0.595 482 1HB LYS 67 2HB LYS 67 12.446 -4.425 -2.575 483 2HB LYS 67 1HB LYS 67 13.955 -5.308 -2.480 484 1HG LYS 67 2HG LYS 67 11.676 -5.462 -0.518 485 2HG LYS 67 1HG LYS 67 12.035 -6.663 -1.738 486 1HD LYS 67 2HD LYS 67 13.724 -5.927 0.665 487 2HD LYS 67 1HD LYS 67 12.773 -7.395 0.445 488 1HE LYS 67 2HE LYS 67 14.232 -7.863 -1.583 489 2HE LYS 67 1HE LYS 67 15.118 -6.441 -1.001 490 1HZ LYS 67 1HZ LYS 67 15.753 -7.503 0.981 491 2HZ LYS 67 2HZ LYS 67 16.097 -8.577 -0.273 492 3HZ LYS 67 3HZ LYS 67 14.742 -8.827 0.679 493 H MET 68 H MET 68 12.350 -1.779 -1.754 494 HA MET 68 HA MET 68 12.461 0.205 -2.711 495 1HB MET 68 2HB MET 68 15.461 -0.216 -2.969 496 2HB MET 68 1HB MET 68 14.618 1.285 -3.337 497 1HG MET 68 2HG MET 68 13.914 1.394 -0.965 498 2HG MET 68 1HG MET 68 14.831 -0.071 -0.669 499 1HE MET 68 1HE MET 68 16.743 3.945 -1.901 500 2HE MET 68 2HE MET 68 15.008 3.704 -1.676 501 3HE MET 68 3HE MET 68 15.838 2.940 -3.027 502 H SER 69 H SER 69 12.268 -2.390 -3.845 503 HA SER 69 HA SER 69 13.043 -2.075 -6.635 504 1HB SER 69 2HB SER 69 11.777 -4.452 -5.187 505 2HB SER 69 1HB SER 69 12.521 -4.382 -6.763 506 HG SER 69 HG SER 69 14.128 -3.405 -4.834 507 H LYS 70 H LYS 70 11.598 -2.166 -8.265 508 HA LYS 70 HA LYS 70 8.996 -0.939 -7.568 509 1HB LYS 70 2HB LYS 70 10.770 -0.644 -9.967 510 2HB LYS 70 1HB LYS 70 9.303 0.282 -9.641 511 1HG LYS 70 2HG LYS 70 10.247 1.447 -7.909 512 2HG LYS 70 1HG LYS 70 11.501 0.245 -7.639 513 1HD LYS 70 2HD LYS 70 12.500 0.878 -9.786 514 2HD LYS 70 1HD LYS 70 11.237 2.085 -9.965 515 1HE LYS 70 2HE LYS 70 13.291 3.140 -9.127 516 2HE LYS 70 1HE LYS 70 12.029 3.184 -7.898 517 1HZ LYS 70 1HZ LYS 70 14.265 1.201 -7.975 518 2HZ LYS 70 2HZ LYS 70 13.119 1.317 -6.747 519 3HZ LYS 70 3HZ LYS 70 14.197 2.555 -6.996 520 H ASN 71 H ASN 71 10.623 -3.396 -9.178 521 HA ASN 71 HA ASN 71 8.825 -4.304 -11.098 522 1HB ASN 71 2HB ASN 71 9.898 -6.564 -10.705 523 2HB ASN 71 1HB ASN 71 11.021 -5.257 -11.048 524 1HD2 ASN 71 1HD2 ASN 71 11.425 -7.838 -9.602 525 2HD2 ASN 71 2HD2 ASN 71 12.055 -7.341 -8.071 526 H GLU 72 H GLU 72 6.842 -5.102 -10.936 527 HA GLU 72 HA GLU 72 5.414 -5.241 -8.538 528 1HB GLU 72 2HB GLU 72 4.742 -6.540 -11.171 529 2HB GLU 72 1HB GLU 72 3.614 -6.279 -9.854 530 1HG GLU 72 2HG GLU 72 3.846 -3.878 -10.082 531 2HG GLU 72 1HG GLU 72 5.051 -4.092 -11.349 532 H GLU 73 H GLU 73 7.402 -7.585 -9.991 533 HA GLU 73 HA GLU 73 6.344 -9.946 -8.846 534 1HB GLU 73 2HB GLU 73 7.931 -9.789 -10.747 535 2HB GLU 73 1HB GLU 73 9.185 -9.308 -9.622 536 1HG GLU 73 2HG GLU 73 9.408 -11.651 -10.182 537 2HG GLU 73 1HG GLU 73 8.993 -11.458 -8.479 538 H ASP 74 H ASP 74 8.458 -7.406 -7.645 539 HA ASP 74 HA ASP 74 9.046 -8.939 -5.221 540 1HB ASP 74 2HB ASP 74 10.924 -7.725 -6.342 541 2HB ASP 74 1HB ASP 74 10.064 -6.218 -6.085 542 H VAL 75 H VAL 75 7.141 -6.366 -6.454 543 HA VAL 75 HA VAL 75 6.488 -5.124 -3.972 544 HB VAL 75 HB VAL 75 4.666 -5.184 -6.428 545 1HG1 VAL 75 1HG1 VAL 75 3.720 -4.201 -4.377 546 2HG1 VAL 75 2HG1 VAL 75 3.961 -3.008 -5.686 547 3HG1 VAL 75 3HG1 VAL 75 5.083 -3.068 -4.351 548 1HG2 VAL 75 1HG2 VAL 75 6.922 -3.274 -5.896 549 2HG2 VAL 75 2HG2 VAL 75 5.733 -3.166 -7.199 550 3HG2 VAL 75 3HG2 VAL 75 6.879 -4.518 -7.151 551 H SER 76 H SER 76 5.353 -5.931 -2.363 552 HA SER 76 HA SER 76 3.380 -7.995 -2.626 553 1HB SER 76 2HB SER 76 5.555 -9.148 -3.090 554 2HB SER 76 1HB SER 76 6.158 -8.591 -1.542 555 HG SER 76 HG SER 76 4.130 -10.451 -2.096 556 HA PRO 77 HA PRO 77 2.637 -6.172 1.438 557 1HB PRO 77 2HB PRO 77 1.048 -7.947 2.594 558 2HB PRO 77 1HB PRO 77 0.514 -7.089 1.140 559 1HG PRO 77 2HG PRO 77 1.576 -9.871 1.432 560 2HG PRO 77 1HG PRO 77 0.235 -9.293 0.433 561 1HD PRO 77 2HD PRO 77 2.778 -9.771 -0.507 562 2HD PRO 77 1HD PRO 77 1.620 -8.661 -1.269 563 H SER 78 H SER 78 4.786 -8.437 1.089 564 HA SER 78 HA SER 78 4.934 -9.563 3.742 565 1HB SER 78 2HB SER 78 5.407 -10.932 1.739 566 2HB SER 78 1HB SER 78 6.738 -9.814 1.393 567 HG SER 78 HG SER 78 6.605 -11.908 3.113 568 H LEU 79 H LEU 79 6.326 -9.056 5.220 569 HA LEU 79 HA LEU 79 8.805 -7.796 4.705 570 1HB LEU 79 2HB LEU 79 8.547 -6.142 6.648 571 2HB LEU 79 1HB LEU 79 7.738 -5.703 5.166 572 HG LEU 79 HG LEU 79 6.205 -7.028 7.418 573 1HD1 LEU 79 1HD1 LEU 79 6.579 -4.062 6.944 574 2HD1 LEU 79 2HD1 LEU 79 7.390 -4.936 8.229 575 3HD1 LEU 79 3HD1 LEU 79 5.629 -4.803 8.230 576 1HD2 LEU 79 1HD2 LEU 79 4.331 -5.925 6.298 577 2HD2 LEU 79 2HD2 LEU 79 5.287 -6.852 5.098 578 3HD2 LEU 79 3HD2 LEU 79 5.499 -5.123 5.243 579 H GLU 80 H GLU 80 9.553 -9.745 5.191 580 HA GLU 80 HA GLU 80 9.218 -10.587 7.966 581 1HB GLU 80 2HB GLU 80 7.481 -11.579 6.639 582 2HB GLU 80 1HB GLU 80 8.679 -12.275 5.561 583 1HG GLU 80 2HG GLU 80 9.571 -13.566 7.323 584 2HG GLU 80 1HG GLU 80 8.486 -12.695 8.422 585 H GLY 81 H GLY 81 10.651 -11.719 4.903 586 1HA GLY 81 2HA GLY 81 12.847 -12.887 6.374 587 2HA GLY 81 1HA GLY 81 12.549 -13.043 4.638 588 H LEU 82 H LEU 82 13.057 -10.522 6.955 589 HA LEU 82 HA LEU 82 14.986 -9.174 5.251 590 1HB LEU 82 2HB LEU 82 12.513 -8.124 6.570 591 2HB LEU 82 1HB LEU 82 13.707 -7.148 5.753 592 HG LEU 82 HG LEU 82 12.189 -9.303 4.311 593 1HD1 LEU 82 1HD1 LEU 82 11.601 -6.400 4.660 594 2HD1 LEU 82 2HD1 LEU 82 10.635 -7.800 5.271 595 3HD1 LEU 82 3HD1 LEU 82 10.803 -7.494 3.514 596 1HD2 LEU 82 1HD2 LEU 82 12.840 -8.085 2.388 597 2HD2 LEU 82 2HD2 LEU 82 14.316 -8.300 3.386 598 3HD2 LEU 82 3HD2 LEU 82 13.405 -6.780 3.406 599 H THR 83 H THR 83 16.557 -8.387 6.512 600 HA THR 83 HA THR 83 16.365 -8.738 9.374 601 HB THR 83 HB THR 83 18.497 -9.368 8.186 602 HG1 THR 83 1HG THR 83 18.655 -8.920 10.324 603 1HG2 THR 83 1HG2 THR 83 20.036 -7.579 7.460 604 2HG2 THR 83 2HG2 THR 83 18.787 -6.376 7.797 605 3HG2 THR 83 3HG2 THR 83 18.545 -7.564 6.516 606 H GLU 84 H GLU 84 17.754 -6.576 10.409 607 HA GLU 84 HA GLU 84 15.606 -4.787 10.596 608 1HB GLU 84 2HB GLU 84 17.394 -5.131 12.353 609 2HB GLU 84 1HB GLU 84 18.431 -4.094 11.379 610 1HG GLU 84 2HG GLU 84 16.611 -2.358 11.506 611 2HG GLU 84 1HG GLU 84 15.835 -3.386 12.675 612 H LYS 85 H LYS 85 18.644 -4.540 8.772 613 HA LYS 85 HA LYS 85 18.566 -1.948 7.806 614 1HB LYS 85 2HB LYS 85 20.388 -3.438 7.282 615 2HB LYS 85 1HB LYS 85 19.318 -4.491 6.364 616 1HG LYS 85 2HG LYS 85 18.856 -2.461 4.907 617 2HG LYS 85 1HG LYS 85 20.302 -1.747 5.643 618 1HD LYS 85 2HD LYS 85 20.100 -4.335 4.129 619 2HD LYS 85 1HD LYS 85 20.772 -2.833 3.507 620 1HE LYS 85 2HE LYS 85 22.531 -2.919 5.203 621 2HE LYS 85 1HE LYS 85 21.859 -4.418 5.832 622 1HZ LYS 85 1HZ LYS 85 23.711 -4.825 4.316 623 2HZ LYS 85 2HZ LYS 85 22.865 -4.052 3.071 624 3HZ LYS 85 3HZ LYS 85 22.261 -5.480 3.748 625 H GLU 86 H GLU 86 17.181 -4.843 6.401 626 HA GLU 86 HA GLU 86 16.145 -3.878 4.050 627 1HB GLU 86 2HB GLU 86 15.447 -6.106 5.866 628 2HB GLU 86 1HB GLU 86 14.796 -5.974 4.248 629 1HG GLU 86 2HG GLU 86 17.707 -6.213 4.991 630 2HG GLU 86 1HG GLU 86 16.679 -7.527 4.434 631 H ILE 87 H ILE 87 14.661 -4.475 7.165 632 HA ILE 87 HA ILE 87 12.117 -3.598 6.301 633 HB ILE 87 HB ILE 87 13.229 -4.120 9.007 634 1HG1 ILE 87 2HG1 ILE 87 11.599 -5.835 7.122 635 2HG1 ILE 87 1HG1 ILE 87 13.194 -6.054 7.727 636 1HG2 ILE 87 1HG2 ILE 87 10.358 -3.690 8.154 637 2HG2 ILE 87 2HG2 ILE 87 11.325 -2.579 9.134 638 3HG2 ILE 87 3HG2 ILE 87 10.858 -4.159 9.792 639 1HD1 ILE 87 1HD1 ILE 87 12.441 -6.398 9.954 640 2HD1 ILE 87 2HD1 ILE 87 11.586 -7.521 8.871 641 3HD1 ILE 87 3HD1 ILE 87 10.786 -6.052 9.477 642 H ASN 88 H ASN 88 14.743 -2.082 8.202 643 HA ASN 88 HA ASN 88 13.498 0.274 9.009 644 1HB ASN 88 2HB ASN 88 16.326 -0.150 8.109 645 2HB ASN 88 1HB ASN 88 15.735 1.402 8.675 646 1HD2 ASN 88 1HD2 ASN 88 17.848 -0.210 9.772 647 2HD2 ASN 88 2HD2 ASN 88 17.432 -0.646 11.382 648 H THR 89 H THR 89 14.785 -0.589 5.964 649 HA THR 89 HA THR 89 14.756 1.877 4.712 650 HB THR 89 HB THR 89 14.326 -0.879 3.559 651 HG1 THR 89 1HG THR 89 16.284 -0.881 4.598 652 1HG2 THR 89 1HG2 THR 89 13.721 0.887 2.062 653 2HG2 THR 89 2HG2 THR 89 15.245 0.129 1.533 654 3HG2 THR 89 3HG2 THR 89 15.256 1.702 2.379 655 H LEU 90 H LEU 90 12.216 -0.578 5.078 656 HA LEU 90 HA LEU 90 10.302 0.810 3.434 657 1HB LEU 90 2HB LEU 90 9.459 -1.193 3.335 658 2HB LEU 90 1HB LEU 90 10.523 -1.861 4.497 659 HG LEU 90 HG LEU 90 8.686 -0.607 6.067 660 1HD1 LEU 90 1HD1 LEU 90 6.499 -1.118 5.280 661 2HD1 LEU 90 2HD1 LEU 90 7.169 -1.552 3.709 662 3HD1 LEU 90 3HD1 LEU 90 7.324 0.103 4.311 663 1HD2 LEU 90 1HD2 LEU 90 8.489 -3.346 4.953 664 2HD2 LEU 90 2HD2 LEU 90 7.772 -2.720 6.465 665 3HD2 LEU 90 3HD2 LEU 90 9.542 -2.856 6.297 666 H ASN 91 H ASN 91 11.064 0.331 6.767 667 HA ASN 91 HA ASN 91 8.940 1.503 8.048 668 1HB ASN 91 2HB ASN 91 11.854 1.744 8.746 669 2HB ASN 91 1HB ASN 91 10.532 2.181 9.791 670 1HD2 ASN 91 1HD2 ASN 91 8.957 -0.316 8.864 671 2HD2 ASN 91 2HD2 ASN 91 9.764 -1.560 9.714 672 H ASP 92 H ASP 92 11.633 3.090 6.423 673 HA ASP 92 HA ASP 92 11.051 5.755 7.197 674 1HB ASP 92 2HB ASP 92 13.162 5.153 6.031 675 2HB ASP 92 1HB ASP 92 12.241 4.799 4.574 676 H TRP 93 H TRP 93 10.090 3.818 4.461 677 HA TRP 93 HA TRP 93 8.368 5.624 3.191 678 1HB TRP 93 2HB TRP 93 8.653 2.692 3.258 679 2HB TRP 93 1HB TRP 93 7.401 3.370 2.267 680 HD1 TRP 93 HD TRP 93 10.925 2.295 2.186 681 HE1 TRP 93 1HE TRP 93 12.120 3.084 0.064 682 HE3 TRP 93 3HE TRP 93 7.508 5.754 0.597 683 HZ2 TRP 93 2HZ TRP 93 11.681 4.957 -2.021 684 HZ3 TRP 93 3HZ TRP 93 7.974 7.004 -1.463 685 HH2 TRP 93 HH TRP 93 10.020 6.612 -2.748 686 H GLU 94 H GLU 94 7.762 3.296 5.745 687 HA GLU 94 HA GLU 94 4.973 3.554 5.813 688 1HB GLU 94 2HB GLU 94 6.863 3.034 8.109 689 2HB GLU 94 1HB GLU 94 5.120 2.857 8.196 690 1HG GLU 94 2HG GLU 94 5.223 1.127 6.482 691 2HG GLU 94 1HG GLU 94 6.979 1.272 6.433 692 H THR 95 H THR 95 7.461 5.284 7.417 693 HA THR 95 HA THR 95 6.033 7.106 8.997 694 HB THR 95 HB THR 95 8.641 7.588 7.547 695 HG1 THR 95 1HG THR 95 8.942 5.721 8.785 696 1HG2 THR 95 1HG2 THR 95 9.150 9.066 9.480 697 2HG2 THR 95 2HG2 THR 95 7.546 8.745 10.136 698 3HG2 THR 95 3HG2 THR 95 7.716 9.611 8.609 699 H LYS 96 H LYS 96 6.808 7.064 5.616 700 HA LYS 96 HA LYS 96 6.153 9.770 5.101 701 1HB LYS 96 2HB LYS 96 6.545 7.450 3.220 702 2HB LYS 96 1HB LYS 96 6.453 9.147 2.745 703 1HG LYS 96 2HG LYS 96 8.469 8.067 4.674 704 2HG LYS 96 1HG LYS 96 8.836 8.225 2.978 705 1HD LYS 96 2HD LYS 96 8.420 10.652 3.150 706 2HD LYS 96 1HD LYS 96 8.027 10.466 4.857 707 1HE LYS 96 2HE LYS 96 10.321 11.275 4.515 708 2HE LYS 96 1HE LYS 96 10.276 9.715 5.326 709 1HZ LYS 96 1HZ LYS 96 10.726 9.997 2.403 710 2HZ LYS 96 2HZ LYS 96 11.028 8.625 3.392 711 3HZ LYS 96 3HZ LYS 96 11.953 9.984 3.539 712 H PHE 97 H PHE 97 4.322 6.714 4.874 713 HA PHE 97 HA PHE 97 2.098 8.175 3.773 714 1HB PHE 97 2HB PHE 97 0.714 6.189 3.981 715 2HB PHE 97 1HB PHE 97 2.280 5.656 3.421 716 HD1 PHE 97 1HD PHE 97 3.367 3.913 4.569 717 HD2 PHE 97 2HD PHE 97 0.160 5.937 6.473 718 HE1 PHE 97 1HE PHE 97 3.350 2.224 6.360 719 HE2 PHE 97 2HE PHE 97 0.160 4.258 8.266 720 HZ PHE 97 HZ PHE 97 1.756 2.401 8.202 721 H GLU 98 H GLU 98 3.199 7.149 6.840 722 HA GLU 98 HA GLU 98 1.086 7.678 8.504 723 1HB GLU 98 2HB GLU 98 3.953 7.408 8.654 724 2HB GLU 98 1HB GLU 98 3.359 8.148 10.079 725 1HG GLU 98 2HG GLU 98 2.595 5.457 8.914 726 2HG GLU 98 1HG GLU 98 3.575 5.761 10.341 727 H ALA 99 H ALA 99 3.026 9.995 6.848 728 HA ALA 99 HA ALA 99 1.934 12.068 8.615 729 1HB ALA 99 1HB ALA 99 3.847 13.451 8.061 730 2HB ALA 99 2HB ALA 99 4.455 12.197 6.982 731 3HB ALA 99 3HB ALA 99 4.374 11.898 8.717 732 H LYS 100 H LYS 100 1.404 10.730 5.617 733 HA LYS 100 HA LYS 100 0.534 13.319 4.590 734 1HB LYS 100 2HB LYS 100 2.160 11.330 3.012 735 2HB LYS 100 1HB LYS 100 1.117 12.504 2.256 736 1HG LYS 100 2HG LYS 100 3.277 13.375 2.149 737 2HG LYS 100 1HG LYS 100 2.443 14.280 3.400 738 1HD LYS 100 2HD LYS 100 3.551 12.875 5.090 739 2HD LYS 100 1HD LYS 100 4.429 12.052 3.794 740 1HE LYS 100 2HE LYS 100 4.464 14.967 4.395 741 2HE LYS 100 1HE LYS 100 5.787 13.844 4.790 742 1HZ LYS 100 1HZ LYS 100 4.800 14.662 2.108 743 2HZ LYS 100 2HZ LYS 100 5.973 13.463 2.328 744 3HZ LYS 100 3HZ LYS 100 6.289 15.050 2.782 745 H TYR 101 H TYR 101 0.198 9.810 4.374 746 HA TYR 101 HA TYR 101 -2.225 10.261 2.821 747 1HB TYR 101 2HB TYR 101 -0.693 7.694 3.223 748 2HB TYR 101 1HB TYR 101 -1.997 8.005 2.088 749 HD1 TYR 101 1HD TYR 101 1.259 7.307 2.053 750 HD2 TYR 101 2HD TYR 101 -1.282 10.471 0.759 751 HE1 TYR 101 1HE TYR 101 2.937 7.972 0.417 752 HE2 TYR 101 2HE TYR 101 0.409 11.136 -0.910 753 HH TYR 101 HH TYR 101 2.986 9.122 -1.689 754 HA PRO 102 HA PRO 102 -4.377 9.136 6.515 755 1HB PRO 102 2HB PRO 102 -6.857 9.019 5.537 756 2HB PRO 102 1HB PRO 102 -6.008 10.565 5.696 757 1HG PRO 102 2HG PRO 102 -6.328 8.820 3.295 758 2HG PRO 102 1HG PRO 102 -6.581 10.570 3.442 759 1HD PRO 102 2HD PRO 102 -4.291 9.517 2.442 760 2HD PRO 102 1HD PRO 102 -4.300 11.024 3.382 761 H VAL 103 H VAL 103 -4.324 7.223 7.307 762 HA VAL 103 HA VAL 103 -4.678 4.783 5.817 763 HB VAL 103 HB VAL 103 -4.771 5.145 8.836 764 1HG1 VAL 103 1HG1 VAL 103 -4.274 2.734 8.917 765 2HG1 VAL 103 2HG1 VAL 103 -4.376 2.667 7.156 766 3HG1 VAL 103 3HG1 VAL 103 -5.804 3.065 8.104 767 1HG2 VAL 103 1HG2 VAL 103 -2.461 4.439 8.887 768 2HG2 VAL 103 2HG2 VAL 103 -2.568 5.840 7.797 769 3HG2 VAL 103 3HG2 VAL 103 -2.470 4.192 7.162 770 H VAL 104 H VAL 104 -6.516 4.340 4.980 771 HA VAL 104 HA VAL 104 -8.855 5.143 6.447 772 HB VAL 104 HB VAL 104 -10.165 4.644 4.348 773 1HG1 VAL 104 1HG1 VAL 104 -7.944 6.679 4.136 774 2HG1 VAL 104 2HG1 VAL 104 -9.507 6.918 4.920 775 3HG1 VAL 104 3HG1 VAL 104 -9.422 6.681 3.176 776 1HG2 VAL 104 1HG2 VAL 104 -8.951 4.493 2.231 777 2HG2 VAL 104 2HG2 VAL 104 -8.561 3.115 3.261 778 3HG2 VAL 104 3HG2 VAL 104 -7.421 4.462 3.100 779 H GLY 105 H GLY 105 -7.747 2.197 4.763 780 1HA GLY 105 2HA GLY 105 -9.197 0.777 6.842 781 2HA GLY 105 1HA GLY 105 -9.665 0.408 5.198 782 H ARG 106 H ARG 106 -8.951 -1.693 5.116 783 HA ARG 106 HA ARG 106 -6.065 -2.146 5.604 784 1HB ARG 106 2HB ARG 106 -6.620 -4.423 6.282 785 2HB ARG 106 1HB ARG 106 -7.172 -3.288 7.454 786 1HG ARG 106 2HG ARG 106 -9.428 -3.524 6.714 787 2HG ARG 106 1HG ARG 106 -8.887 -4.517 5.351 788 1HD ARG 106 2HD ARG 106 -9.725 -5.887 7.192 789 2HD ARG 106 1HD ARG 106 -8.007 -6.105 6.751 790 HE ARG 106 HE ARG 106 -8.362 -4.240 8.888 791 1HH1 ARG 106 1HH1 ARG 106 -8.202 -7.748 8.283 792 2HH1 ARG 106 2HH1 ARG 106 -7.634 -8.109 9.834 793 1HH2 ARG 106 1HH2 ARG 106 -7.584 -4.776 10.990 794 2HH2 ARG 106 2HH2 ARG 106 -7.297 -6.398 11.423 795 H VAL 107 H VAL 107 -5.164 -3.845 4.463 796 HA VAL 107 HA VAL 107 -6.868 -4.882 2.369 797 HB VAL 107 HB VAL 107 -4.864 -3.591 1.469 798 1HG1 VAL 107 1HG1 VAL 107 -2.701 -4.638 1.556 799 2HG1 VAL 107 2HG1 VAL 107 -3.360 -5.849 2.671 800 3HG1 VAL 107 3HG1 VAL 107 -3.264 -4.146 3.168 801 1HG2 VAL 107 1HG2 VAL 107 -4.285 -5.374 -0.154 802 2HG2 VAL 107 2HG2 VAL 107 -6.035 -5.262 0.238 803 3HG2 VAL 107 3HG2 VAL 107 -5.056 -6.500 0.994 804 H VAL 108 H VAL 108 -6.930 -7.022 2.157 805 HA VAL 108 HA VAL 108 -5.638 -8.576 4.277 806 HB VAL 108 HB VAL 108 -7.802 -9.817 4.522 807 1HG1 VAL 108 1HG1 VAL 108 -7.965 -6.899 4.640 808 2HG1 VAL 108 2HG1 VAL 108 -7.188 -7.868 5.922 809 3HG1 VAL 108 3HG1 VAL 108 -8.973 -7.948 5.618 810 1HG2 VAL 108 1HG2 VAL 108 -8.736 -9.227 2.297 811 2HG2 VAL 108 2HG2 VAL 108 -8.804 -7.550 2.953 812 3HG2 VAL 108 3HG2 VAL 108 -9.785 -8.793 3.681 813 H SER 109 H SER 109 -5.009 -10.622 3.681 814 HA SER 109 HA SER 109 -6.101 -11.632 1.267 815 1HB SER 109 2HB SER 109 -3.838 -12.062 0.239 816 2HB SER 109 1HB SER 109 -4.321 -10.363 0.481 817 HG SER 109 HG SER 109 -3.046 -10.214 2.224 Start of MODEL 19 1 1H MET 1 1HT MET 1 -16.690 -4.886 -5.600 2 2H MET 1 2HT MET 1 -17.835 -4.835 -6.824 3 3H MET 1 3HT MET 1 -18.294 -4.628 -5.195 4 HA MET 1 HA MET 1 -16.530 -2.814 -6.712 5 1HB MET 1 2HB MET 1 -19.361 -2.436 -5.697 6 2HB MET 1 1HB MET 1 -18.372 -1.167 -6.402 7 1HG MET 1 2HG MET 1 -18.342 -2.377 -8.519 8 2HG MET 1 1HG MET 1 -19.325 -3.652 -7.808 9 1HE MET 1 1HE MET 1 -19.199 0.106 -8.946 10 2HE MET 1 2HE MET 1 -19.648 0.265 -7.247 11 3HE MET 1 3HE MET 1 -20.807 0.675 -8.507 12 H GLY 2 H GLY 2 -17.000 -0.573 -5.198 13 1HA GLY 2 2HA GLY 2 -15.671 -1.399 -2.740 14 2HA GLY 2 1HA GLY 2 -15.587 0.188 -3.481 15 H HIS 3 H HIS 3 -18.530 -1.684 -2.744 16 HA HIS 3 HA HIS 3 -19.441 0.592 -1.194 17 1HB HIS 3 2HB HIS 3 -20.892 -2.012 -1.778 18 2HB HIS 3 1HB HIS 3 -21.564 -0.686 -0.860 19 HD1 HIS 3 1HD HIS 3 -22.406 1.381 -2.209 20 HD2 HIS 3 2HD HIS 3 -20.897 -1.693 -4.553 21 HE1 HIS 3 1HE HIS 3 -23.147 1.885 -4.538 22 HE2 HIS 3 2HE HIS 3 -22.605 -0.221 -5.764 23 H HIS 4 H HIS 4 -18.105 0.592 0.508 24 HA HIS 4 HA HIS 4 -18.901 -1.155 2.573 25 1HB HIS 4 2HB HIS 4 -16.619 -2.003 3.239 26 2HB HIS 4 1HB HIS 4 -17.267 -2.692 1.767 27 HD1 HIS 4 1HD HIS 4 -14.489 -3.240 1.796 28 HD2 HIS 4 2HD HIS 4 -15.751 0.568 0.704 29 HE1 HIS 4 1HE HIS 4 -12.567 -2.220 0.558 30 HE2 HIS 4 2HE HIS 4 -13.251 0.209 0.445 31 H HIS 5 H HIS 5 -19.630 1.011 2.898 32 HA HIS 5 HA HIS 5 -18.179 2.062 5.125 33 1HB HIS 5 2HB HIS 5 -18.664 3.804 2.726 34 2HB HIS 5 1HB HIS 5 -18.726 4.495 4.335 35 HD1 HIS 5 1HD HIS 5 -16.503 4.851 5.560 36 HD2 HIS 5 2HD HIS 5 -16.100 3.038 1.847 37 HE1 HIS 5 1HE HIS 5 -14.056 4.893 5.050 38 HE2 HIS 5 2HE HIS 5 -13.819 3.773 2.832 39 H HIS 6 H HIS 6 -19.856 1.065 6.079 40 HA HIS 6 HA HIS 6 -22.200 2.840 6.246 41 1HB HIS 6 2HB HIS 6 -22.657 0.539 5.207 42 2HB HIS 6 1HB HIS 6 -22.237 -0.146 6.767 43 HD1 HIS 6 1HD HIS 6 -25.011 1.225 4.872 44 HD2 HIS 6 2HD HIS 6 -24.112 0.703 8.892 45 HE1 HIS 6 1HE HIS 6 -27.200 1.392 6.079 46 HE2 HIS 6 2HE HIS 6 -26.543 1.454 8.492 47 H HIS 7 H HIS 7 -19.815 0.787 7.727 48 HA HIS 7 HA HIS 7 -19.602 2.227 10.123 49 1HB HIS 7 2HB HIS 7 -21.731 0.997 10.626 50 2HB HIS 7 1HB HIS 7 -20.922 -0.513 10.249 51 HD1 HIS 7 1HD HIS 7 -19.776 -1.658 12.153 52 HD2 HIS 7 2HD HIS 7 -20.722 2.277 13.026 53 HE1 HIS 7 1HE HIS 7 -19.283 -1.377 14.591 54 HE2 HIS 7 2HE HIS 7 -19.953 0.991 15.119 55 H HIS 8 H HIS 8 -17.622 1.515 11.150 56 HA HIS 8 HA HIS 8 -15.711 0.364 11.475 57 1HB HIS 8 2HB HIS 8 -17.070 -1.707 11.431 58 2HB HIS 8 1HB HIS 8 -16.966 -1.748 9.686 59 HD1 HIS 8 1HD HIS 8 -14.660 -2.552 8.681 60 HD2 HIS 8 2HD HIS 8 -14.929 -2.774 12.821 61 HE1 HIS 8 1HE HIS 8 -12.873 -4.129 9.396 62 HE2 HIS 8 2HE HIS 8 -13.360 -4.507 11.835 63 H LEU 9 H LEU 9 -13.642 0.122 10.455 64 HA LEU 9 HA LEU 9 -13.170 1.747 8.213 65 1HB LEU 9 2HB LEU 9 -11.435 -0.422 9.394 66 2HB LEU 9 1HB LEU 9 -10.899 0.744 8.208 67 HG LEU 9 HG LEU 9 -11.794 1.402 11.021 68 1HD1 LEU 9 1HD1 LEU 9 -9.433 1.902 11.401 69 2HD1 LEU 9 2HD1 LEU 9 -9.050 1.339 9.775 70 3HD1 LEU 9 3HD1 LEU 9 -9.674 0.207 10.975 71 1HD2 LEU 9 1HD2 LEU 9 -10.930 3.641 10.527 72 2HD2 LEU 9 2HD2 LEU 9 -12.249 3.225 9.436 73 3HD2 LEU 9 3HD2 LEU 9 -10.581 3.146 8.872 74 H GLU 10 H GLU 10 -12.367 1.153 6.084 75 HA GLU 10 HA GLU 10 -13.931 -1.042 5.137 76 1HB GLU 10 2HB GLU 10 -13.398 -0.236 2.877 77 2HB GLU 10 1HB GLU 10 -14.055 1.031 3.883 78 1HG GLU 10 2HG GLU 10 -11.801 1.957 4.171 79 2HG GLU 10 1HG GLU 10 -11.156 0.669 3.151 80 H GLU 11 H GLU 11 -13.205 -3.052 4.969 81 HA GLU 11 HA GLU 11 -10.396 -3.444 5.034 82 1HB GLU 11 2HB GLU 11 -11.564 -4.717 6.653 83 2HB GLU 11 1HB GLU 11 -12.787 -5.231 5.462 84 1HG GLU 11 2HG GLU 11 -11.093 -6.535 4.458 85 2HG GLU 11 1HG GLU 11 -9.881 -5.962 5.491 86 H PHE 12 H PHE 12 -9.343 -4.442 3.514 87 HA PHE 12 HA PHE 12 -10.665 -4.927 0.931 88 1HB PHE 12 2HB PHE 12 -7.955 -3.940 1.652 89 2HB PHE 12 1HB PHE 12 -8.463 -4.512 0.081 90 HD1 PHE 12 1HD PHE 12 -8.606 -1.820 2.533 91 HD2 PHE 12 2HD PHE 12 -9.987 -3.117 -1.269 92 HE1 PHE 12 1HE PHE 12 -9.338 0.462 2.027 93 HE2 PHE 12 2HE PHE 12 -10.724 -0.832 -1.780 94 HZ PHE 12 HZ PHE 12 -10.399 0.958 -0.134 95 H THR 13 H THR 13 -9.743 -6.577 -0.303 96 HA THR 13 HA THR 13 -7.851 -8.248 1.147 97 HB THR 13 HB THR 13 -9.845 -9.160 -0.963 98 HG1 THR 13 1HG THR 13 -10.000 -8.918 1.790 99 1HG2 THR 13 1HG2 THR 13 -9.194 -11.402 -0.261 100 2HG2 THR 13 2HG2 THR 13 -8.025 -10.679 0.873 101 3HG2 THR 13 3HG2 THR 13 -7.821 -10.464 -0.873 102 H ALA 14 H ALA 14 -6.142 -9.083 -0.297 103 HA ALA 14 HA ALA 14 -5.052 -6.974 -1.718 104 1HB ALA 14 1HB ALA 14 -3.283 -8.421 -2.404 105 2HB ALA 14 2HB ALA 14 -4.260 -9.854 -2.040 106 3HB ALA 14 3HB ALA 14 -3.744 -8.767 -0.738 107 H GLU 15 H GLU 15 -6.601 -9.836 -3.169 108 HA GLU 15 HA GLU 15 -6.204 -9.121 -5.837 109 1HB GLU 15 2HB GLU 15 -8.652 -10.527 -4.749 110 2HB GLU 15 1HB GLU 15 -8.091 -10.557 -6.408 111 1HG GLU 15 2HG GLU 15 -7.479 -12.611 -5.560 112 2HG GLU 15 1HG GLU 15 -5.987 -11.683 -5.458 113 H GLN 16 H GLN 16 -8.696 -8.241 -3.603 114 HA GLN 16 HA GLN 16 -10.335 -6.829 -5.443 115 1HB GLN 16 2HB GLN 16 -10.295 -6.999 -2.445 116 2HB GLN 16 1HB GLN 16 -11.368 -5.882 -3.255 117 1HG GLN 16 2HG GLN 16 -12.563 -7.900 -2.698 118 2HG GLN 16 1HG GLN 16 -12.401 -7.762 -4.434 119 1HE2 GLN 16 1HE2 GLN 16 -11.495 -9.550 -1.609 120 2HE2 GLN 16 2HE2 GLN 16 -10.844 -10.902 -2.471 121 H LEU 17 H LEU 17 -7.694 -5.950 -3.397 122 HA LEU 17 HA LEU 17 -8.081 -3.157 -3.376 123 1HB LEU 17 2HB LEU 17 -6.548 -4.342 -1.873 124 2HB LEU 17 1HB LEU 17 -5.481 -4.669 -3.222 125 HG LEU 17 HG LEU 17 -5.461 -2.129 -3.539 126 1HD1 LEU 17 1HD1 LEU 17 -7.228 -1.537 -2.085 127 2HD1 LEU 17 2HD1 LEU 17 -5.688 -0.859 -1.498 128 3HD1 LEU 17 3HD1 LEU 17 -6.377 -2.301 -0.734 129 1HD2 LEU 17 1HD2 LEU 17 -3.580 -3.370 -2.912 130 2HD2 LEU 17 2HD2 LEU 17 -4.077 -3.369 -1.193 131 3HD2 LEU 17 3HD2 LEU 17 -3.659 -1.844 -2.033 132 H SER 18 H SER 18 -6.681 -5.349 -5.700 133 HA SER 18 HA SER 18 -5.086 -3.518 -7.076 134 1HB SER 18 2HB SER 18 -6.212 -6.162 -7.962 135 2HB SER 18 1HB SER 18 -4.899 -5.282 -8.758 136 HG SER 18 HG SER 18 -4.078 -5.274 -6.435 137 H GLN 19 H GLN 19 -8.370 -3.609 -6.986 138 HA GLN 19 HA GLN 19 -8.872 -2.780 -9.744 139 1HB GLN 19 2HB GLN 19 -10.660 -2.554 -7.313 140 2HB GLN 19 1HB GLN 19 -11.140 -2.163 -8.950 141 1HG GLN 19 2HG GLN 19 -10.804 -4.512 -9.581 142 2HG GLN 19 1HG GLN 19 -10.380 -4.878 -7.907 143 1HE2 GLN 19 1HE2 GLN 19 -12.126 -6.266 -7.651 144 2HE2 GLN 19 2HE2 GLN 19 -13.745 -5.667 -7.523 145 H TYR 20 H TYR 20 -7.799 -1.414 -6.888 146 HA TYR 20 HA TYR 20 -8.698 1.302 -7.431 147 1HB TYR 20 2HB TYR 20 -7.342 -0.034 -5.119 148 2HB TYR 20 1HB TYR 20 -7.820 1.647 -5.081 149 HD1 TYR 20 1HD TYR 20 -8.814 -1.720 -4.543 150 HD2 TYR 20 2HD TYR 20 -10.352 2.128 -5.417 151 HE1 TYR 20 1HE TYR 20 -11.030 -2.455 -3.804 152 HE2 TYR 20 2HE TYR 20 -12.577 1.419 -4.684 153 HH TYR 20 HH TYR 20 -13.101 -1.560 -3.027 154 H ASN 21 H ASN 21 -6.780 0.137 -9.158 155 HA ASN 21 HA ASN 21 -4.209 1.190 -8.368 156 1HB ASN 21 2HB ASN 21 -3.359 0.323 -10.505 157 2HB ASN 21 1HB ASN 21 -4.235 -0.914 -9.626 158 1HD2 ASN 21 1HD2 ASN 21 -6.168 -1.730 -10.499 159 2HD2 ASN 21 2HD2 ASN 21 -6.651 -1.340 -12.102 160 H GLY 22 H GLY 22 -6.957 2.333 -9.834 161 1HA GLY 22 2HA GLY 22 -7.543 4.356 -10.618 162 2HA GLY 22 1HA GLY 22 -6.010 5.024 -9.967 163 H THR 23 H THR 23 -7.242 2.941 -12.465 164 HA THR 23 HA THR 23 -6.059 4.784 -14.391 165 HB THR 23 HB THR 23 -6.195 2.924 -15.949 166 HG1 THR 23 1HG THR 23 -7.028 1.108 -15.354 167 1HG2 THR 23 1HG2 THR 23 -4.140 1.780 -15.155 168 2HG2 THR 23 2HG2 THR 23 -4.381 2.535 -13.577 169 3HG2 THR 23 3HG2 THR 23 -4.057 3.535 -14.994 170 H ASP 24 H ASP 24 -8.842 3.326 -13.144 171 HA ASP 24 HA ASP 24 -10.487 3.967 -15.465 172 1HB ASP 24 2HB ASP 24 -11.121 2.532 -12.897 173 2HB ASP 24 1HB ASP 24 -12.314 2.857 -14.149 174 H GLU 25 H GLU 25 -10.723 6.176 -15.423 175 HA GLU 25 HA GLU 25 -11.665 8.148 -14.941 176 1HB GLU 25 2HB GLU 25 -13.466 6.402 -13.312 177 2HB GLU 25 1HB GLU 25 -13.752 8.118 -13.586 178 1HG GLU 25 2HG GLU 25 -13.459 6.068 -15.749 179 2HG GLU 25 1HG GLU 25 -14.981 6.653 -15.070 180 H SER 26 H SER 26 -9.726 6.940 -13.081 181 HA SER 26 HA SER 26 -8.441 7.591 -11.281 182 1HB SER 26 2HB SER 26 -8.460 9.781 -12.361 183 2HB SER 26 1HB SER 26 -10.018 10.162 -11.636 184 HG SER 26 HG SER 26 -8.775 9.715 -9.605 185 H LYS 27 H LYS 27 -10.937 6.152 -10.881 186 HA LYS 27 HA LYS 27 -12.314 6.955 -8.562 187 1HB LYS 27 2HB LYS 27 -11.625 4.141 -9.456 188 2HB LYS 27 1HB LYS 27 -12.820 4.537 -8.243 189 1HG LYS 27 2HG LYS 27 -14.139 5.732 -9.979 190 2HG LYS 27 1HG LYS 27 -12.944 5.238 -11.167 191 1HD LYS 27 2HD LYS 27 -14.599 3.334 -9.494 192 2HD LYS 27 1HD LYS 27 -14.915 3.743 -11.181 193 1HE LYS 27 2HE LYS 27 -12.753 2.815 -11.815 194 2HE LYS 27 1HE LYS 27 -12.404 2.420 -10.133 195 1HZ LYS 27 1HZ LYS 27 -13.159 0.496 -11.345 196 2HZ LYS 27 2HZ LYS 27 -14.605 1.239 -11.772 197 3HZ LYS 27 3HZ LYS 27 -14.269 0.890 -10.153 198 HA PRO 28 HA PRO 28 -9.889 6.887 -4.863 199 1HB PRO 28 2HB PRO 28 -11.285 4.292 -4.394 200 2HB PRO 28 1HB PRO 28 -10.916 5.585 -3.249 201 1HG PRO 28 2HG PRO 28 -13.309 5.344 -4.446 202 2HG PRO 28 1HG PRO 28 -12.632 6.911 -3.976 203 1HD PRO 28 2HD PRO 28 -13.139 5.879 -6.649 204 2HD PRO 28 1HD PRO 28 -12.602 7.500 -6.173 205 H ILE 29 H ILE 29 -7.895 6.505 -4.889 206 HA ILE 29 HA ILE 29 -6.804 3.953 -5.881 207 HB ILE 29 HB ILE 29 -5.368 6.607 -5.576 208 1HG1 ILE 29 2HG1 ILE 29 -6.631 5.408 -8.045 209 2HG1 ILE 29 1HG1 ILE 29 -7.257 6.783 -7.155 210 1HG2 ILE 29 1HG2 ILE 29 -3.921 4.605 -5.651 211 2HG2 ILE 29 2HG2 ILE 29 -3.738 5.573 -7.114 212 3HG2 ILE 29 3HG2 ILE 29 -4.705 4.099 -7.151 213 1HD1 ILE 29 1HD1 ILE 29 -6.057 7.464 -9.166 214 2HD1 ILE 29 2HD1 ILE 29 -4.621 6.642 -8.536 215 3HD1 ILE 29 3HD1 ILE 29 -5.257 8.056 -7.703 216 H TYR 30 H TYR 30 -5.600 2.753 -4.465 217 HA TYR 30 HA TYR 30 -4.892 3.935 -1.859 218 1HB TYR 30 2HB TYR 30 -6.197 1.239 -2.209 219 2HB TYR 30 1HB TYR 30 -5.711 2.023 -0.714 220 HD1 TYR 30 1HD TYR 30 -7.000 4.159 -0.036 221 HD2 TYR 30 2HD TYR 30 -8.333 1.473 -3.030 222 HE1 TYR 30 1HE TYR 30 -9.296 5.035 0.195 223 HE2 TYR 30 2HE TYR 30 -10.606 2.332 -2.809 224 HH TYR 30 HH TYR 30 -11.324 5.165 -1.100 225 H VAL 31 H VAL 31 -3.287 2.991 -0.828 226 HA VAL 31 HA VAL 31 -1.717 0.963 -2.274 227 HB VAL 31 HB VAL 31 0.321 1.989 -1.460 228 1HG1 VAL 31 1HG1 VAL 31 -0.349 2.733 -3.631 229 2HG1 VAL 31 2HG1 VAL 31 0.402 4.065 -2.737 230 3HG1 VAL 31 3HG1 VAL 31 -1.354 4.003 -2.915 231 1HG2 VAL 31 1HG2 VAL 31 -0.463 2.954 0.569 232 2HG2 VAL 31 2HG2 VAL 31 -1.421 4.144 -0.334 233 3HG2 VAL 31 3HG2 VAL 31 0.358 4.193 -0.395 234 H ALA 32 H ALA 32 -0.424 -0.333 -0.739 235 HA ALA 32 HA ALA 32 -1.456 -0.095 1.960 236 1HB ALA 32 1HB ALA 32 -1.735 -2.505 2.136 237 2HB ALA 32 2HB ALA 32 -1.221 -2.692 0.458 238 3HB ALA 32 3HB ALA 32 -2.724 -1.855 0.828 239 H ILE 33 H ILE 33 -0.051 -0.200 3.453 240 HA ILE 33 HA ILE 33 2.636 -1.313 2.992 241 HB ILE 33 HB ILE 33 1.943 1.296 4.368 242 1HG1 ILE 33 2HG1 ILE 33 3.523 0.823 1.844 243 2HG1 ILE 33 1HG1 ILE 33 1.934 1.565 1.938 244 1HG2 ILE 33 1HG2 ILE 33 3.670 0.222 5.561 245 2HG2 ILE 33 2HG2 ILE 33 4.332 1.604 4.681 246 3HG2 ILE 33 3HG2 ILE 33 4.614 -0.032 4.085 247 1HD1 ILE 33 1HD1 ILE 33 4.482 2.652 3.100 248 2HD1 ILE 33 2HD1 ILE 33 2.900 3.411 3.248 249 3HD1 ILE 33 3HD1 ILE 33 3.662 3.249 1.659 250 H LYS 34 H LYS 34 2.982 -2.838 4.619 251 HA LYS 34 HA LYS 34 2.687 -4.019 6.521 252 1HB LYS 34 2HB LYS 34 2.096 -1.243 7.501 253 2HB LYS 34 1HB LYS 34 1.959 -2.611 8.590 254 1HG LYS 34 2HG LYS 34 4.452 -1.925 7.058 255 2HG LYS 34 1HG LYS 34 4.133 -1.338 8.687 256 1HD LYS 34 2HD LYS 34 3.881 -3.717 9.409 257 2HD LYS 34 1HD LYS 34 4.395 -4.205 7.795 258 1HE LYS 34 2HE LYS 34 6.530 -3.162 8.105 259 2HE LYS 34 1HE LYS 34 6.006 -2.461 9.637 260 1HZ LYS 34 1HZ LYS 34 7.361 -4.433 10.010 261 2HZ LYS 34 2HZ LYS 34 6.309 -5.368 9.086 262 3HZ LYS 34 3HZ LYS 34 5.777 -4.693 10.523 263 H GLY 35 H GLY 35 0.451 -3.408 4.619 264 1HA GLY 35 2HA GLY 35 -1.608 -4.348 4.398 265 2HA GLY 35 1HA GLY 35 -1.644 -4.714 6.111 266 H ARG 36 H ARG 36 -0.759 -1.598 6.069 267 HA ARG 36 HA ARG 36 -3.402 -0.718 6.755 268 1HB ARG 36 2HB ARG 36 -0.847 0.893 6.537 269 2HB ARG 36 1HB ARG 36 -2.297 1.323 7.434 270 1HG ARG 36 2HG ARG 36 -1.903 -0.537 8.967 271 2HG ARG 36 1HG ARG 36 -0.452 -0.971 8.064 272 1HD ARG 36 2HD ARG 36 0.221 0.273 10.001 273 2HD ARG 36 1HD ARG 36 0.464 1.294 8.586 274 HE ARG 36 HE ARG 36 -2.054 1.859 9.532 275 1HH1 ARG 36 1HH1 ARG 36 1.290 2.191 10.696 276 2HH1 ARG 36 2HH1 ARG 36 0.931 3.419 11.811 277 1HH2 ARG 36 1HH2 ARG 36 -2.538 3.554 11.095 278 2HH2 ARG 36 2HH2 ARG 36 -1.300 4.219 12.041 279 H VAL 37 H VAL 37 -4.735 0.074 5.261 280 HA VAL 37 HA VAL 37 -3.616 0.752 2.678 281 HB VAL 37 HB VAL 37 -6.494 0.239 3.504 282 1HG1 VAL 37 1HG1 VAL 37 -7.025 0.422 1.123 283 2HG1 VAL 37 2HG1 VAL 37 -5.343 0.835 0.791 284 3HG1 VAL 37 3HG1 VAL 37 -6.354 1.945 1.722 285 1HG2 VAL 37 1HG2 VAL 37 -4.588 -1.279 1.735 286 2HG2 VAL 37 2HG2 VAL 37 -6.268 -1.707 2.051 287 3HG2 VAL 37 3HG2 VAL 37 -5.086 -1.745 3.360 288 H PHE 38 H PHE 38 -3.312 2.688 2.102 289 HA PHE 38 HA PHE 38 -4.641 4.878 3.563 290 1HB PHE 38 2HB PHE 38 -2.092 4.904 2.013 291 2HB PHE 38 1HB PHE 38 -2.732 6.245 2.955 292 HD1 PHE 38 1HD PHE 38 -0.773 3.222 2.956 293 HD2 PHE 38 2HD PHE 38 -2.702 6.056 5.475 294 HE1 PHE 38 1HE PHE 38 0.560 2.448 4.855 295 HE2 PHE 38 2HE PHE 38 -1.362 5.278 7.363 296 HZ PHE 38 HZ PHE 38 0.277 3.466 7.054 297 H ASP 39 H ASP 39 -5.492 6.507 2.316 298 HA ASP 39 HA ASP 39 -6.029 5.873 -0.474 299 1HB ASP 39 2HB ASP 39 -7.887 6.767 0.833 300 2HB ASP 39 1HB ASP 39 -6.945 8.196 1.242 301 H VAL 40 H VAL 40 -4.897 6.581 -2.091 302 HA VAL 40 HA VAL 40 -3.181 8.929 -1.663 303 HB VAL 40 HB VAL 40 -1.713 8.066 -3.493 304 1HG1 VAL 40 1HG1 VAL 40 -0.566 6.399 -2.161 305 2HG1 VAL 40 2HG1 VAL 40 -1.963 6.278 -1.076 306 3HG1 VAL 40 3HG1 VAL 40 -1.046 7.790 -1.197 307 1HG2 VAL 40 1HG2 VAL 40 -3.293 5.524 -3.137 308 2HG2 VAL 40 2HG2 VAL 40 -1.824 5.703 -4.106 309 3HG2 VAL 40 3HG2 VAL 40 -3.292 6.562 -4.561 310 H THR 41 H THR 41 -6.002 8.560 -2.697 311 HA THR 41 HA THR 41 -6.026 9.178 -5.436 312 HB THR 41 HB THR 41 -8.063 9.974 -3.328 313 HG1 THR 41 1HG THR 41 -8.205 7.870 -3.095 314 1HG2 THR 41 1HG2 THR 41 -8.364 9.410 -6.290 315 2HG2 THR 41 2HG2 THR 41 -8.424 11.004 -5.539 316 3HG2 THR 41 3HG2 THR 41 -9.676 9.814 -5.182 317 H THR 42 H THR 42 -5.444 11.041 -2.568 318 HA THR 42 HA THR 42 -5.817 13.630 -3.690 319 HB THR 42 HB THR 42 -5.873 13.173 -1.207 320 HG1 THR 42 1HG THR 42 -3.777 14.980 -1.482 321 1HG2 THR 42 1HG2 THR 42 -2.873 12.944 -1.508 322 2HG2 THR 42 2HG2 THR 42 -3.960 11.624 -1.095 323 3HG2 THR 42 3HG2 THR 42 -3.753 12.975 0.022 324 H GLY 43 H GLY 43 -3.311 11.295 -3.841 325 1HA GLY 43 2HA GLY 43 -1.443 13.274 -4.954 326 2HA GLY 43 1HA GLY 43 -0.962 11.766 -4.189 327 H LYS 44 H LYS 44 -3.627 12.267 -6.513 328 HA LYS 44 HA LYS 44 -2.991 9.955 -7.844 329 1HB LYS 44 2HB LYS 44 -5.263 10.833 -7.601 330 2HB LYS 44 1HB LYS 44 -4.836 12.250 -8.530 331 1HG LYS 44 2HG LYS 44 -4.602 9.537 -9.750 332 2HG LYS 44 1HG LYS 44 -6.176 10.307 -9.621 333 1HD LYS 44 2HD LYS 44 -3.788 11.600 -10.880 334 2HD LYS 44 1HD LYS 44 -4.935 10.607 -11.767 335 1HE LYS 44 2HE LYS 44 -6.759 12.135 -11.094 336 2HE LYS 44 1HE LYS 44 -5.598 13.134 -10.229 337 1HZ LYS 44 1HZ LYS 44 -4.510 13.635 -12.311 338 2HZ LYS 44 2HZ LYS 44 -6.143 14.026 -12.450 339 3HZ LYS 44 3HZ LYS 44 -5.546 12.621 -13.150 340 H SER 45 H SER 45 -1.900 13.217 -8.246 341 HA SER 45 HA SER 45 -1.011 13.108 -10.910 342 1HB SER 45 2HB SER 45 0.247 14.592 -8.585 343 2HB SER 45 1HB SER 45 0.508 14.929 -10.295 344 HG SER 45 HG SER 45 -1.664 15.453 -8.659 345 H PHE 46 H PHE 46 0.257 11.653 -8.017 346 HA PHE 46 HA PHE 46 2.815 11.080 -9.322 347 1HB PHE 46 2HB PHE 46 1.949 10.691 -6.462 348 2HB PHE 46 1HB PHE 46 3.542 10.308 -7.087 349 HD1 PHE 46 1HD PHE 46 5.029 12.148 -7.846 350 HD2 PHE 46 2HD PHE 46 1.322 12.900 -5.896 351 HE1 PHE 46 1HE PHE 46 5.755 14.443 -7.363 352 HE2 PHE 46 2HE PHE 46 2.039 15.200 -5.411 353 HZ PHE 46 HZ PHE 46 4.260 15.977 -6.145 354 H TYR 47 H TYR 47 0.181 9.406 -7.601 355 HA TYR 47 HA TYR 47 1.399 6.881 -8.315 356 1HB TYR 47 2HB TYR 47 -1.116 7.375 -6.729 357 2HB TYR 47 1HB TYR 47 -0.166 5.886 -6.778 358 HD1 TYR 47 1HD TYR 47 2.236 5.984 -5.853 359 HD2 TYR 47 2HD TYR 47 -0.627 9.047 -5.197 360 HE1 TYR 47 1HE TYR 47 3.583 6.858 -3.973 361 HE2 TYR 47 2HE TYR 47 0.697 9.907 -3.334 362 HH TYR 47 HH TYR 47 3.901 8.929 -2.738 363 H GLY 48 H GLY 48 -1.912 8.198 -8.590 364 1HA GLY 48 2HA GLY 48 -2.810 6.081 -10.279 365 2HA GLY 48 1HA GLY 48 -3.674 7.547 -9.869 366 H SER 49 H SER 49 -1.061 8.834 -11.076 367 HA SER 49 HA SER 49 -2.295 9.101 -13.684 368 1HB SER 49 2HB SER 49 -1.531 11.105 -12.389 369 2HB SER 49 1HB SER 49 0.123 10.528 -12.538 370 HG SER 49 HG SER 49 -0.382 10.530 -14.886 371 H GLY 50 H GLY 50 -0.497 6.760 -12.521 372 1HA GLY 50 2HA GLY 50 0.931 5.224 -13.464 373 2HA GLY 50 1HA GLY 50 0.740 6.081 -14.997 374 H GLY 51 H GLY 51 1.862 7.270 -11.905 375 1HA GLY 51 2HA GLY 51 4.024 8.615 -13.238 376 2HA GLY 51 1HA GLY 51 3.555 8.793 -11.561 377 H ASP 52 H ASP 52 5.737 8.723 -11.042 378 HA ASP 52 HA ASP 52 7.447 6.537 -11.671 379 1HB ASP 52 2HB ASP 52 8.315 8.778 -11.207 380 2HB ASP 52 1HB ASP 52 7.701 8.688 -9.566 381 H TYR 53 H TYR 53 5.201 7.183 -9.144 382 HA TYR 53 HA TYR 53 6.164 4.831 -7.654 383 1HB TYR 53 2HB TYR 53 4.520 7.182 -6.714 384 2HB TYR 53 1HB TYR 53 4.895 5.777 -5.728 385 HD1 TYR 53 1HD TYR 53 7.265 5.329 -5.087 386 HD2 TYR 53 2HD TYR 53 6.106 8.939 -7.016 387 HE1 TYR 53 1HE TYR 53 9.351 6.382 -4.348 388 HE2 TYR 53 2HE TYR 53 8.198 9.998 -6.290 389 HH TYR 53 HH TYR 53 9.860 9.724 -4.536 390 H SER 54 H SER 54 4.401 4.863 -10.020 391 HA SER 54 HA SER 54 1.703 4.375 -9.256 392 1HB SER 54 2HB SER 54 2.403 5.090 -11.533 393 2HB SER 54 1HB SER 54 3.175 3.515 -11.740 394 HG SER 54 HG SER 54 0.787 2.874 -11.075 395 H MET 55 H MET 55 4.451 2.505 -8.850 396 HA MET 55 HA MET 55 3.832 -0.116 -9.498 397 1HB MET 55 2HB MET 55 5.397 0.953 -7.168 398 2HB MET 55 1HB MET 55 5.331 -0.737 -7.590 399 1HG MET 55 2HG MET 55 7.374 0.362 -8.251 400 2HG MET 55 1HG MET 55 6.571 -0.321 -9.634 401 1HE MET 55 1HE MET 55 4.698 1.494 -11.022 402 2HE MET 55 2HE MET 55 6.182 0.967 -11.818 403 3HE MET 55 3HE MET 55 5.711 2.666 -11.867 404 H PHE 56 H PHE 56 3.171 1.590 -6.472 405 HA PHE 56 HA PHE 56 1.757 -0.734 -5.562 406 1HB PHE 56 2HB PHE 56 1.691 0.781 -3.355 407 2HB PHE 56 1HB PHE 56 2.986 -0.325 -3.723 408 HD1 PHE 56 1HD PHE 56 1.962 3.161 -3.575 409 HD2 PHE 56 2HD PHE 56 5.138 0.479 -4.383 410 HE1 PHE 56 1HE PHE 56 3.560 5.013 -3.430 411 HE2 PHE 56 2HE PHE 56 6.749 2.289 -4.256 412 HZ PHE 56 HZ PHE 56 5.965 4.597 -3.769 413 H ALA 57 H ALA 57 0.722 1.492 -7.392 414 HA ALA 57 HA ALA 57 -1.572 2.425 -5.983 415 1HB ALA 57 1HB ALA 57 -2.404 3.067 -8.223 416 2HB ALA 57 2HB ALA 57 -1.072 2.180 -8.965 417 3HB ALA 57 3HB ALA 57 -0.742 3.606 -7.980 418 H GLY 58 H GLY 58 -2.953 0.985 -5.173 419 1HA GLY 58 2HA GLY 58 -4.596 -0.635 -5.208 420 2HA GLY 58 1HA GLY 58 -4.213 -0.957 -6.890 421 H LYS 59 H LYS 59 -1.631 -0.914 -4.564 422 HA LYS 59 HA LYS 59 -1.586 -3.813 -4.446 423 1HB LYS 59 2HB LYS 59 -0.407 -3.382 -6.535 424 2HB LYS 59 1HB LYS 59 0.503 -2.107 -5.783 425 1HG LYS 59 2HG LYS 59 1.864 -4.020 -6.210 426 2HG LYS 59 1HG LYS 59 1.717 -3.771 -4.477 427 1HD LYS 59 2HD LYS 59 1.637 -6.106 -5.120 428 2HD LYS 59 1HD LYS 59 0.150 -5.660 -4.324 429 1HE LYS 59 2HE LYS 59 -0.306 -7.059 -6.279 430 2HE LYS 59 1HE LYS 59 -0.896 -5.433 -6.609 431 1HZ LYS 59 1HZ LYS 59 1.689 -6.574 -7.566 432 2HZ LYS 59 2HZ LYS 59 1.113 -5.026 -7.926 433 3HZ LYS 59 3HZ LYS 59 0.293 -6.381 -8.480 434 H ASP 60 H ASP 60 -0.720 -4.523 -2.535 435 HA ASP 60 HA ASP 60 0.481 -2.660 -0.674 436 1HB ASP 60 2HB ASP 60 -0.865 -4.645 0.121 437 2HB ASP 60 1HB ASP 60 0.357 -5.692 -0.569 438 H ALA 61 H ALA 61 2.549 -2.222 -0.576 439 HA ALA 61 HA ALA 61 4.425 -3.925 -2.109 440 1HB ALA 61 1HB ALA 61 5.562 -1.857 -2.838 441 2HB ALA 61 2HB ALA 61 4.277 -0.915 -2.063 442 3HB ALA 61 3HB ALA 61 3.905 -1.997 -3.410 443 H SER 62 H SER 62 3.846 -3.944 0.682 444 HA SER 62 HA SER 62 5.498 -2.298 2.208 445 1HB SER 62 2HB SER 62 3.506 -3.794 2.866 446 2HB SER 62 1HB SER 62 4.711 -5.074 3.010 447 HG SER 62 HG SER 62 5.793 -3.178 4.309 448 H ARG 63 H ARG 63 6.353 -5.563 0.879 449 HA ARG 63 HA ARG 63 8.955 -5.285 2.068 450 1HB ARG 63 2HB ARG 63 9.707 -7.282 0.978 451 2HB ARG 63 1HB ARG 63 8.038 -7.545 1.431 452 1HG ARG 63 2HG ARG 63 7.311 -7.361 -0.788 453 2HG ARG 63 1HG ARG 63 8.900 -6.799 -1.327 454 1HD ARG 63 2HD ARG 63 9.904 -8.871 -0.611 455 2HD ARG 63 1HD ARG 63 8.344 -9.478 -0.059 456 HE ARG 63 HE ARG 63 8.079 -8.818 -2.709 457 1HH1 ARG 63 1HH1 ARG 63 10.192 -10.953 -0.852 458 2HH1 ARG 63 2HH1 ARG 63 10.203 -12.211 -2.006 459 1HH2 ARG 63 1HH2 ARG 63 8.115 -10.603 -4.354 460 2HH2 ARG 63 2HH2 ARG 63 9.011 -12.003 -3.997 461 H ALA 64 H ALA 64 7.626 -4.233 -0.908 462 HA ALA 64 HA ALA 64 10.054 -4.134 -2.408 463 1HB ALA 64 1HB ALA 64 7.457 -2.646 -2.818 464 2HB ALA 64 2HB ALA 64 7.874 -4.207 -3.527 465 3HB ALA 64 3HB ALA 64 8.765 -2.757 -3.993 466 H LEU 65 H LEU 65 8.231 -2.061 -0.396 467 HA LEU 65 HA LEU 65 9.690 0.308 -0.613 468 1HB LEU 65 2HB LEU 65 8.046 -0.943 1.502 469 2HB LEU 65 1HB LEU 65 8.832 0.580 1.788 470 HG LEU 65 HG LEU 65 6.721 0.026 -0.325 471 1HD1 LEU 65 1HD1 LEU 65 6.639 1.654 2.227 472 2HD1 LEU 65 2HD1 LEU 65 5.836 0.110 1.969 473 3HD1 LEU 65 3HD1 LEU 65 5.363 1.522 1.025 474 1HD2 LEU 65 1HD2 LEU 65 6.802 2.457 -0.644 475 2HD2 LEU 65 2HD2 LEU 65 8.358 1.676 -1.037 476 3HD2 LEU 65 3HD2 LEU 65 8.128 2.478 0.527 477 H GLY 66 H GLY 66 10.400 -2.645 1.105 478 1HA GLY 66 2HA GLY 66 12.422 -1.300 2.652 479 2HA GLY 66 1HA GLY 66 12.032 -3.000 2.765 480 H LYS 67 H LYS 67 12.136 -2.944 -0.255 481 HA LYS 67 HA LYS 67 14.965 -3.654 -0.395 482 1HB LYS 67 2HB LYS 67 12.750 -4.092 -2.374 483 2HB LYS 67 1HB LYS 67 14.359 -4.778 -2.453 484 1HG LYS 67 2HG LYS 67 12.299 -5.343 -0.341 485 2HG LYS 67 1HG LYS 67 12.665 -6.398 -1.694 486 1HD LYS 67 2HD LYS 67 14.452 -5.674 0.646 487 2HD LYS 67 1HD LYS 67 13.742 -7.239 0.241 488 1HE LYS 67 2HE LYS 67 15.076 -7.208 -1.868 489 2HE LYS 67 1HE LYS 67 15.802 -5.734 -1.232 490 1HZ LYS 67 1HZ LYS 67 16.656 -6.940 0.698 491 2HZ LYS 67 2HZ LYS 67 17.223 -7.624 -0.718 492 3HZ LYS 67 3HZ LYS 67 15.991 -8.378 0.116 493 H MET 68 H MET 68 12.608 -1.420 -1.692 494 HA MET 68 HA MET 68 12.762 0.529 -2.787 495 1HB MET 68 2HB MET 68 15.736 -0.031 -2.930 496 2HB MET 68 1HB MET 68 15.015 1.371 -3.710 497 1HG MET 68 2HG MET 68 15.040 0.724 -0.780 498 2HG MET 68 1HG MET 68 16.074 1.898 -1.591 499 1HE MET 68 1HE MET 68 13.426 4.568 -2.785 500 2HE MET 68 2HE MET 68 13.935 3.151 -3.692 501 3HE MET 68 3HE MET 68 15.126 4.096 -2.797 502 H SER 69 H SER 69 12.504 -2.197 -3.685 503 HA SER 69 HA SER 69 13.248 -2.176 -6.471 504 1HB SER 69 2HB SER 69 11.572 -4.119 -4.892 505 2HB SER 69 1HB SER 69 12.283 -4.359 -6.479 506 HG SER 69 HG SER 69 13.184 -5.000 -4.252 507 H LYS 70 H LYS 70 11.823 -1.808 -8.076 508 HA LYS 70 HA LYS 70 9.129 -0.992 -7.274 509 1HB LYS 70 2HB LYS 70 10.747 -0.233 -9.690 510 2HB LYS 70 1HB LYS 70 9.145 0.379 -9.294 511 1HG LYS 70 2HG LYS 70 9.996 1.384 -7.258 512 2HG LYS 70 1HG LYS 70 11.596 0.721 -7.589 513 1HD LYS 70 2HD LYS 70 11.571 3.051 -8.262 514 2HD LYS 70 1HD LYS 70 11.608 1.998 -9.687 515 1HE LYS 70 2HE LYS 70 9.243 2.283 -10.018 516 2HE LYS 70 1HE LYS 70 9.129 3.259 -8.556 517 1HZ LYS 70 1HZ LYS 70 10.542 4.911 -9.631 518 2HZ LYS 70 2HZ LYS 70 9.145 4.575 -10.516 519 3HZ LYS 70 3HZ LYS 70 10.609 3.939 -11.025 520 H ASN 71 H ASN 71 10.852 -3.387 -8.787 521 HA ASN 71 HA ASN 71 8.960 -4.072 -10.799 522 1HB ASN 71 2HB ASN 71 10.101 -6.236 -10.868 523 2HB ASN 71 1HB ASN 71 11.137 -4.860 -11.284 524 1HD2 ASN 71 1HD2 ASN 71 10.623 -7.526 -9.144 525 2HD2 ASN 71 2HD2 ASN 71 12.015 -7.264 -8.161 526 H GLU 72 H GLU 72 7.501 -5.486 -10.908 527 HA GLU 72 HA GLU 72 5.857 -5.921 -8.738 528 1HB GLU 72 2HB GLU 72 4.636 -7.435 -10.226 529 2HB GLU 72 1HB GLU 72 4.881 -5.829 -10.918 530 1HG GLU 72 2HG GLU 72 6.318 -8.406 -11.624 531 2HG GLU 72 1HG GLU 72 5.083 -7.615 -12.594 532 H GLU 73 H GLU 73 8.270 -7.960 -10.154 533 HA GLU 73 HA GLU 73 7.647 -10.362 -8.859 534 1HB GLU 73 2HB GLU 73 10.335 -9.347 -9.764 535 2HB GLU 73 1HB GLU 73 10.013 -10.994 -9.244 536 1HG GLU 73 2HG GLU 73 8.764 -9.607 -11.602 537 2HG GLU 73 1HG GLU 73 10.038 -10.827 -11.655 538 H ASP 74 H ASP 74 8.876 -7.470 -7.506 539 HA ASP 74 HA ASP 74 9.608 -8.991 -5.120 540 1HB ASP 74 2HB ASP 74 11.522 -7.812 -6.202 541 2HB ASP 74 1HB ASP 74 10.686 -6.289 -5.948 542 H VAL 75 H VAL 75 7.126 -7.360 -6.324 543 HA VAL 75 HA VAL 75 6.606 -5.810 -3.896 544 HB VAL 75 HB VAL 75 4.866 -6.030 -6.388 545 1HG1 VAL 75 1HG1 VAL 75 4.867 -4.096 -4.106 546 2HG1 VAL 75 2HG1 VAL 75 3.655 -5.358 -4.388 547 3HG1 VAL 75 3HG1 VAL 75 3.839 -4.007 -5.523 548 1HG2 VAL 75 1HG2 VAL 75 5.643 -3.840 -6.970 549 2HG2 VAL 75 2HG2 VAL 75 6.998 -5.001 -6.909 550 3HG2 VAL 75 3HG2 VAL 75 6.748 -3.841 -5.591 551 H SER 76 H SER 76 5.288 -6.611 -2.300 552 HA SER 76 HA SER 76 3.645 -8.931 -2.822 553 1HB SER 76 2HB SER 76 6.130 -9.599 -2.429 554 2HB SER 76 1HB SER 76 5.859 -9.025 -0.781 555 HG SER 76 HG SER 76 5.538 -11.243 -0.906 556 HA PRO 77 HA PRO 77 1.459 -6.818 0.473 557 1HB PRO 77 2HB PRO 77 -0.035 -8.815 1.491 558 2HB PRO 77 1HB PRO 77 -0.345 -8.136 -0.114 559 1HG PRO 77 2HG PRO 77 1.146 -10.627 0.629 560 2HG PRO 77 1HG PRO 77 -0.073 -10.398 -0.638 561 1HD PRO 77 2HD PRO 77 2.575 -10.411 -1.176 562 2HD PRO 77 1HD PRO 77 1.432 -9.397 -2.083 563 H SER 78 H SER 78 4.047 -8.453 1.119 564 HA SER 78 HA SER 78 4.153 -7.801 3.928 565 1HB SER 78 2HB SER 78 4.377 -10.694 3.099 566 2HB SER 78 1HB SER 78 4.766 -9.923 4.655 567 HG SER 78 HG SER 78 2.283 -9.294 3.890 568 H LEU 79 H LEU 79 6.111 -8.685 4.807 569 HA LEU 79 HA LEU 79 8.220 -7.546 3.210 570 1HB LEU 79 2HB LEU 79 7.693 -8.221 6.042 571 2HB LEU 79 1HB LEU 79 9.331 -8.014 5.499 572 HG LEU 79 HG LEU 79 8.987 -5.655 5.097 573 1HD1 LEU 79 1HD1 LEU 79 6.049 -6.113 5.586 574 2HD1 LEU 79 2HD1 LEU 79 6.799 -5.761 4.004 575 3HD1 LEU 79 3HD1 LEU 79 6.906 -4.596 5.324 576 1HD2 LEU 79 1HD2 LEU 79 7.410 -6.511 7.382 577 2HD2 LEU 79 2HD2 LEU 79 8.055 -4.878 7.089 578 3HD2 LEU 79 3HD2 LEU 79 9.177 -6.258 7.404 579 H GLU 80 H GLU 80 7.320 -10.329 4.992 580 HA GLU 80 HA GLU 80 7.734 -12.362 5.092 581 1HB GLU 80 2HB GLU 80 7.827 -13.721 3.078 582 2HB GLU 80 1HB GLU 80 6.642 -12.452 2.998 583 1HG GLU 80 2HG GLU 80 8.130 -11.119 1.577 584 2HG GLU 80 1HG GLU 80 9.333 -12.405 1.643 585 H GLY 81 H GLY 81 10.483 -11.119 3.326 586 1HA GLY 81 2HA GLY 81 12.138 -12.846 5.033 587 2HA GLY 81 1HA GLY 81 12.419 -12.829 3.297 588 H LEU 82 H LEU 82 11.979 -10.488 5.943 589 HA LEU 82 HA LEU 82 14.325 -9.053 4.988 590 1HB LEU 82 2HB LEU 82 11.673 -7.912 5.843 591 2HB LEU 82 1HB LEU 82 13.119 -6.980 5.507 592 HG LEU 82 HG LEU 82 11.704 -8.674 3.444 593 1HD1 LEU 82 1HD1 LEU 82 10.288 -6.881 4.119 594 2HD1 LEU 82 2HD1 LEU 82 11.035 -6.493 2.540 595 3HD1 LEU 82 3HD1 LEU 82 11.642 -5.736 4.025 596 1HD2 LEU 82 1HD2 LEU 82 14.137 -8.187 3.160 597 2HD2 LEU 82 2HD2 LEU 82 13.623 -6.463 3.124 598 3HD2 LEU 82 3HD2 LEU 82 13.023 -7.592 1.918 599 H THR 83 H THR 83 15.690 -8.745 6.594 600 HA THR 83 HA THR 83 14.882 -9.132 9.353 601 HB THR 83 HB THR 83 17.097 -10.010 8.552 602 HG1 THR 83 1HG THR 83 17.660 -9.731 10.506 603 1HG2 THR 83 1HG2 THR 83 17.633 -8.276 6.912 604 2HG2 THR 83 2HG2 THR 83 18.942 -8.425 8.089 605 3HG2 THR 83 3HG2 THR 83 17.791 -7.094 8.210 606 H GLU 84 H GLU 84 15.872 -7.232 10.913 607 HA GLU 84 HA GLU 84 14.275 -5.023 10.459 608 1HB GLU 84 2HB GLU 84 15.152 -5.542 12.697 609 2HB GLU 84 1HB GLU 84 16.766 -5.069 12.178 610 1HG GLU 84 2HG GLU 84 15.999 -2.796 11.772 611 2HG GLU 84 1HG GLU 84 14.368 -3.251 12.242 612 H LYS 85 H LYS 85 17.653 -5.440 9.635 613 HA LYS 85 HA LYS 85 18.461 -2.900 8.786 614 1HB LYS 85 2HB LYS 85 19.919 -4.871 8.757 615 2HB LYS 85 1HB LYS 85 18.951 -5.581 7.475 616 1HG LYS 85 2HG LYS 85 19.557 -3.479 6.142 617 2HG LYS 85 1HG LYS 85 20.836 -3.264 7.340 618 1HD LYS 85 2HD LYS 85 20.351 -5.667 5.621 619 2HD LYS 85 1HD LYS 85 21.623 -4.472 5.362 620 1HE LYS 85 2HE LYS 85 22.602 -5.098 7.559 621 2HE LYS 85 1HE LYS 85 21.355 -6.333 7.731 622 1HZ LYS 85 1HZ LYS 85 23.413 -6.225 5.600 623 2HZ LYS 85 2HZ LYS 85 22.186 -7.379 5.719 624 3HZ LYS 85 3HZ LYS 85 23.382 -7.301 6.913 625 H GLU 86 H GLU 86 16.913 -5.423 6.906 626 HA GLU 86 HA GLU 86 16.647 -4.102 4.480 627 1HB GLU 86 2HB GLU 86 15.380 -6.373 5.863 628 2HB GLU 86 1HB GLU 86 14.952 -6.046 4.226 629 1HG GLU 86 2HG GLU 86 17.660 -6.770 5.345 630 2HG GLU 86 1HG GLU 86 16.630 -7.795 4.350 631 H ILE 87 H ILE 87 14.517 -4.711 7.171 632 HA ILE 87 HA ILE 87 12.212 -3.605 6.083 633 HB ILE 87 HB ILE 87 13.104 -4.093 8.854 634 1HG1 ILE 87 2HG1 ILE 87 11.178 -5.600 7.097 635 2HG1 ILE 87 1HG1 ILE 87 12.795 -6.086 7.559 636 1HG2 ILE 87 1HG2 ILE 87 10.386 -3.300 7.844 637 2HG2 ILE 87 2HG2 ILE 87 11.434 -2.339 8.907 638 3HG2 ILE 87 3HG2 ILE 87 10.677 -3.840 9.507 639 1HD1 ILE 87 1HD1 ILE 87 12.132 -6.277 9.870 640 2HD1 ILE 87 2HD1 ILE 87 11.034 -7.253 8.872 641 3HD1 ILE 87 3HD1 ILE 87 10.536 -5.664 9.484 642 H ASN 88 H ASN 88 14.876 -2.123 7.864 643 HA ASN 88 HA ASN 88 13.771 0.266 8.754 644 1HB ASN 88 2HB ASN 88 16.512 -0.190 7.639 645 2HB ASN 88 1HB ASN 88 16.013 1.399 8.145 646 1HD2 ASN 88 1HD2 ASN 88 17.192 -1.590 9.037 647 2HD2 ASN 88 2HD2 ASN 88 17.287 -1.352 10.743 648 H THR 89 H THR 89 14.721 -0.531 5.516 649 HA THR 89 HA THR 89 14.606 2.036 4.437 650 HB THR 89 HB THR 89 14.099 -0.655 3.181 651 HG1 THR 89 1HG THR 89 16.160 -0.896 3.133 652 1HG2 THR 89 1HG2 THR 89 13.387 1.161 1.815 653 2HG2 THR 89 2HG2 THR 89 14.847 0.402 1.157 654 3HG2 THR 89 3HG2 THR 89 14.953 1.975 2.004 655 H LEU 90 H LEU 90 12.192 -0.566 4.572 656 HA LEU 90 HA LEU 90 10.040 0.897 3.385 657 1HB LEU 90 2HB LEU 90 9.540 -1.197 3.162 658 2HB LEU 90 1HB LEU 90 10.498 -1.740 4.497 659 HG LEU 90 HG LEU 90 8.488 -0.598 5.822 660 1HD1 LEU 90 1HD1 LEU 90 7.135 -1.405 3.323 661 2HD1 LEU 90 2HD1 LEU 90 7.262 0.215 4.025 662 3HD1 LEU 90 3HD1 LEU 90 6.356 -1.047 4.862 663 1HD2 LEU 90 1HD2 LEU 90 7.492 -2.781 6.054 664 2HD2 LEU 90 2HD2 LEU 90 9.279 -2.810 6.112 665 3HD2 LEU 90 3HD2 LEU 90 8.432 -3.316 4.651 666 H ASN 91 H ASN 91 10.894 -0.061 6.615 667 HA ASN 91 HA ASN 91 8.868 0.938 8.145 668 1HB ASN 91 2HB ASN 91 11.003 -0.335 8.782 669 2HB ASN 91 1HB ASN 91 11.781 1.231 8.864 670 1HD2 ASN 91 1HD2 ASN 91 11.317 -0.830 10.859 671 2HD2 ASN 91 2HD2 ASN 91 10.474 -0.091 12.147 672 H ASP 92 H ASP 92 11.545 2.694 6.675 673 HA ASP 92 HA ASP 92 10.908 5.277 7.742 674 1HB ASP 92 2HB ASP 92 13.136 4.751 6.837 675 2HB ASP 92 1HB ASP 92 12.436 4.508 5.243 676 H TRP 93 H TRP 93 10.218 3.612 4.680 677 HA TRP 93 HA TRP 93 8.728 5.628 3.435 678 1HB TRP 93 2HB TRP 93 8.862 2.691 3.133 679 2HB TRP 93 1HB TRP 93 7.711 3.586 2.178 680 HD1 TRP 93 HD TRP 93 10.990 2.156 1.884 681 HE1 TRP 93 1HE TRP 93 12.426 3.288 0.087 682 HE3 TRP 93 3HE TRP 93 8.266 6.437 1.278 683 HZ2 TRP 93 2HZ TRP 93 12.415 5.701 -1.383 684 HZ3 TRP 93 3HZ TRP 93 9.051 8.108 -0.342 685 HH2 TRP 93 HH TRP 93 11.087 7.741 -1.648 686 H GLU 94 H GLU 94 7.710 3.083 5.601 687 HA GLU 94 HA GLU 94 4.958 3.249 5.491 688 1HB GLU 94 2HB GLU 94 6.702 3.092 7.943 689 2HB GLU 94 1HB GLU 94 4.977 2.789 7.930 690 1HG GLU 94 2HG GLU 94 5.294 0.887 6.526 691 2HG GLU 94 1HG GLU 94 7.031 1.175 6.422 692 H THR 95 H THR 95 7.166 5.110 7.298 693 HA THR 95 HA THR 95 5.399 6.804 8.694 694 HB THR 95 HB THR 95 8.220 7.352 7.841 695 HG1 THR 95 1HG THR 95 7.005 5.754 9.855 696 1HG2 THR 95 1HG2 THR 95 7.089 9.287 8.874 697 2HG2 THR 95 2HG2 THR 95 8.324 8.653 9.960 698 3HG2 THR 95 3HG2 THR 95 6.625 8.292 10.256 699 H LYS 96 H LYS 96 6.641 6.943 5.455 700 HA LYS 96 HA LYS 96 6.442 9.788 5.172 701 1HB LYS 96 2HB LYS 96 6.891 7.588 3.159 702 2HB LYS 96 1HB LYS 96 7.069 9.314 2.843 703 1HG LYS 96 2HG LYS 96 8.586 7.840 4.937 704 2HG LYS 96 1HG LYS 96 9.268 8.055 3.357 705 1HD LYS 96 2HD LYS 96 8.997 10.532 3.706 706 2HD LYS 96 1HD LYS 96 8.475 10.175 5.354 707 1HE LYS 96 2HE LYS 96 10.604 9.050 5.765 708 2HE LYS 96 1HE LYS 96 11.124 9.437 4.133 709 1HZ LYS 96 1HZ LYS 96 12.015 10.994 5.726 710 2HZ LYS 96 2HZ LYS 96 10.473 11.427 6.246 711 3HZ LYS 96 3HZ LYS 96 10.974 11.797 4.678 712 H PHE 97 H PHE 97 4.749 6.956 4.222 713 HA PHE 97 HA PHE 97 2.680 8.390 2.869 714 1HB PHE 97 2HB PHE 97 3.176 5.556 3.582 715 2HB PHE 97 1HB PHE 97 1.697 6.048 2.801 716 HD1 PHE 97 1HD PHE 97 5.369 5.821 2.415 717 HD2 PHE 97 2HD PHE 97 1.665 6.505 0.447 718 HE1 PHE 97 1HE PHE 97 6.496 5.637 0.242 719 HE2 PHE 97 2HE PHE 97 2.784 6.323 -1.727 720 HZ PHE 97 HZ PHE 97 5.204 5.889 -1.834 721 H GLU 98 H GLU 98 3.125 6.737 5.933 722 HA GLU 98 HA GLU 98 0.437 6.614 6.742 723 1HB GLU 98 2HB GLU 98 2.594 5.388 7.545 724 2HB GLU 98 1HB GLU 98 2.807 6.767 8.591 725 1HG GLU 98 2HG GLU 98 0.468 4.871 8.614 726 2HG GLU 98 1HG GLU 98 1.845 4.798 9.673 727 H ALA 99 H ALA 99 2.878 9.190 6.947 728 HA ALA 99 HA ALA 99 1.283 10.734 8.844 729 1HB ALA 99 1HB ALA 99 3.847 11.260 7.466 730 2HB ALA 99 2HB ALA 99 3.734 10.570 9.099 731 3HB ALA 99 3HB ALA 99 3.184 12.238 8.765 732 H LYS 100 H LYS 100 0.933 10.116 5.777 733 HA LYS 100 HA LYS 100 0.688 12.932 5.040 734 1HB LYS 100 2HB LYS 100 2.706 11.720 4.173 735 2HB LYS 100 1HB LYS 100 1.605 10.729 3.248 736 1HG LYS 100 2HG LYS 100 2.399 12.322 1.753 737 2HG LYS 100 1HG LYS 100 0.772 12.826 2.269 738 1HD LYS 100 2HD LYS 100 3.115 13.803 3.707 739 2HD LYS 100 1HD LYS 100 2.764 14.618 2.157 740 1HE LYS 100 2HE LYS 100 1.193 14.619 4.790 741 2HE LYS 100 1HE LYS 100 1.809 15.928 3.853 742 1HZ LYS 100 1HZ LYS 100 -0.429 14.226 2.891 743 2HZ LYS 100 2HZ LYS 100 0.210 15.568 2.122 744 3HZ LYS 100 3HZ LYS 100 -0.574 15.747 3.595 745 H TYR 101 H TYR 101 -0.355 9.614 4.572 746 HA TYR 101 HA TYR 101 -2.822 10.562 3.315 747 1HB TYR 101 2HB TYR 101 -1.429 7.887 3.026 748 2HB TYR 101 1HB TYR 101 -2.864 8.423 2.147 749 HD1 TYR 101 1HD TYR 101 0.691 8.282 2.182 750 HD2 TYR 101 2HD TYR 101 -2.586 10.453 0.580 751 HE1 TYR 101 1HE TYR 101 2.168 9.219 0.467 752 HE2 TYR 101 2HE TYR 101 -1.115 11.394 -1.152 753 HH TYR 101 HH TYR 101 1.994 10.173 -1.746 754 HA PRO 102 HA PRO 102 -4.749 8.823 6.873 755 1HB PRO 102 2HB PRO 102 -7.241 8.661 6.049 756 2HB PRO 102 1HB PRO 102 -6.444 10.242 6.128 757 1HG PRO 102 2HG PRO 102 -6.801 8.423 3.773 758 2HG PRO 102 1HG PRO 102 -7.220 10.136 3.863 759 1HD PRO 102 2HD PRO 102 -4.881 9.297 2.793 760 2HD PRO 102 1HD PRO 102 -4.997 10.797 3.753 761 H VAL 103 H VAL 103 -5.089 6.889 7.699 762 HA VAL 103 HA VAL 103 -5.146 4.500 6.106 763 HB VAL 103 HB VAL 103 -5.711 4.858 9.090 764 1HG1 VAL 103 1HG1 VAL 103 -5.359 2.302 7.515 765 2HG1 VAL 103 2HG1 VAL 103 -6.875 2.896 8.185 766 3HG1 VAL 103 3HG1 VAL 103 -5.564 2.425 9.265 767 1HG2 VAL 103 1HG2 VAL 103 -3.322 3.683 7.671 768 2HG2 VAL 103 2HG2 VAL 103 -3.534 3.807 9.414 769 3HG2 VAL 103 3HG2 VAL 103 -3.377 5.267 8.437 770 H VAL 104 H VAL 104 -6.838 4.167 4.912 771 HA VAL 104 HA VAL 104 -9.475 4.915 5.922 772 HB VAL 104 HB VAL 104 -10.330 4.237 3.639 773 1HG1 VAL 104 1HG1 VAL 104 -9.359 6.171 2.479 774 2HG1 VAL 104 2HG1 VAL 104 -8.082 6.257 3.692 775 3HG1 VAL 104 3HG1 VAL 104 -9.758 6.565 4.151 776 1HG2 VAL 104 1HG2 VAL 104 -8.695 3.886 1.866 777 2HG2 VAL 104 2HG2 VAL 104 -8.519 2.634 3.112 778 3HG2 VAL 104 3HG2 VAL 104 -7.397 3.998 3.045 779 H GLY 105 H GLY 105 -7.509 2.198 5.636 780 1HA GLY 105 2HA GLY 105 -9.086 0.610 7.235 781 2HA GLY 105 1HA GLY 105 -9.445 0.171 5.566 782 H ARG 106 H ARG 106 -8.517 -1.814 5.666 783 HA ARG 106 HA ARG 106 -5.602 -1.821 5.599 784 1HB ARG 106 2HB ARG 106 -5.286 -3.659 7.091 785 2HB ARG 106 1HB ARG 106 -6.293 -2.551 7.987 786 1HG ARG 106 2HG ARG 106 -7.260 -4.962 6.509 787 2HG ARG 106 1HG ARG 106 -7.077 -5.011 8.212 788 1HD ARG 106 2HD ARG 106 -8.672 -2.881 8.034 789 2HD ARG 106 1HD ARG 106 -8.865 -3.714 6.453 790 HE ARG 106 HE ARG 106 -9.663 -5.657 7.586 791 1HH1 ARG 106 1HH1 ARG 106 -9.426 -2.838 9.740 792 2HH1 ARG 106 2HH1 ARG 106 -10.584 -3.423 10.823 793 1HH2 ARG 106 1HH2 ARG 106 -11.140 -6.396 8.977 794 2HH2 ARG 106 2HH2 ARG 106 -11.609 -5.577 10.420 795 H VAL 107 H VAL 107 -4.856 -3.734 4.629 796 HA VAL 107 HA VAL 107 -6.934 -4.996 3.083 797 HB VAL 107 HB VAL 107 -5.044 -4.004 1.800 798 1HG1 VAL 107 1HG1 VAL 107 -3.415 -6.060 3.195 799 2HG1 VAL 107 2HG1 VAL 107 -3.365 -4.318 3.434 800 3HG1 VAL 107 3HG1 VAL 107 -2.844 -5.012 1.873 801 1HG2 VAL 107 1HG2 VAL 107 -6.326 -5.794 0.940 802 2HG2 VAL 107 2HG2 VAL 107 -5.298 -6.970 1.744 803 3HG2 VAL 107 3HG2 VAL 107 -4.643 -5.984 0.404 804 H VAL 108 H VAL 108 -7.374 -7.034 3.394 805 HA VAL 108 HA VAL 108 -5.930 -8.369 5.539 806 HB VAL 108 HB VAL 108 -8.329 -7.386 5.689 807 1HG1 VAL 108 1HG1 VAL 108 -9.080 -9.901 4.284 808 2HG1 VAL 108 2HG1 VAL 108 -9.412 -8.200 3.871 809 3HG1 VAL 108 3HG1 VAL 108 -10.166 -8.900 5.264 810 1HG2 VAL 108 1HG2 VAL 108 -9.048 -9.007 7.291 811 2HG2 VAL 108 2HG2 VAL 108 -7.390 -8.476 7.505 812 3HG2 VAL 108 3HG2 VAL 108 -7.722 -10.106 6.836 813 H SER 109 H SER 109 -5.289 -10.423 5.008 814 HA SER 109 HA SER 109 -6.511 -11.694 2.762 815 1HB SER 109 2HB SER 109 -3.540 -11.121 2.938 816 2HB SER 109 1HB SER 109 -4.240 -12.261 1.791 817 HG SER 109 HG SER 109 -5.446 -9.822 1.918 Start of MODEL 20 1 1H MET 1 1HT MET 1 -16.938 -0.915 -11.947 2 2H MET 1 2HT MET 1 -15.331 -1.112 -12.294 3 3H MET 1 3HT MET 1 -16.315 -0.317 -13.398 4 HA MET 1 HA MET 1 -14.910 1.226 -12.216 5 1HB MET 1 2HB MET 1 -17.787 1.406 -11.286 6 2HB MET 1 1HB MET 1 -16.625 2.710 -11.209 7 1HG MET 1 2HG MET 1 -16.507 2.742 -13.648 8 2HG MET 1 1HG MET 1 -17.671 1.416 -13.712 9 1HE MET 1 1HE MET 1 -19.754 4.508 -14.960 10 2HE MET 1 2HE MET 1 -19.224 2.871 -15.336 11 3HE MET 1 3HE MET 1 -18.048 4.184 -15.263 12 H GLY 2 H GLY 2 -17.140 -0.418 -9.947 13 1HA GLY 2 2HA GLY 2 -16.765 -1.078 -7.804 14 2HA GLY 2 1HA GLY 2 -15.085 -0.564 -7.958 15 H HIS 3 H HIS 3 -18.093 1.202 -8.402 16 HA HIS 3 HA HIS 3 -16.954 3.261 -6.723 17 1HB HIS 3 2HB HIS 3 -18.672 4.834 -7.566 18 2HB HIS 3 1HB HIS 3 -17.749 4.110 -8.866 19 HD1 HIS 3 1HD HIS 3 -21.109 4.877 -7.862 20 HD2 HIS 3 2HD HIS 3 -19.353 1.953 -10.220 21 HE1 HIS 3 1HE HIS 3 -22.964 3.957 -9.300 22 HE2 HIS 3 2HE HIS 3 -21.876 2.195 -10.717 23 H HIS 4 H HIS 4 -17.227 1.758 -5.011 24 HA HIS 4 HA HIS 4 -19.342 2.679 -3.300 25 1HB HIS 4 2HB HIS 4 -19.047 -0.273 -3.928 26 2HB HIS 4 1HB HIS 4 -19.773 0.304 -2.442 27 HD1 HIS 4 1HD HIS 4 -20.590 -0.751 -5.745 28 HD2 HIS 4 2HD HIS 4 -22.167 1.964 -3.044 29 HE1 HIS 4 1HE HIS 4 -22.963 -0.357 -6.483 30 HE2 HIS 4 2HE HIS 4 -23.939 1.094 -4.662 31 H HIS 5 H HIS 5 -18.461 3.083 -1.444 32 HA HIS 5 HA HIS 5 -15.933 1.750 -0.836 33 1HB HIS 5 2HB HIS 5 -16.919 4.487 -0.024 34 2HB HIS 5 1HB HIS 5 -15.505 3.711 0.678 35 HD1 HIS 5 1HD HIS 5 -13.368 3.783 -0.629 36 HD2 HIS 5 2HD HIS 5 -16.615 5.276 -2.745 37 HE1 HIS 5 1HE HIS 5 -12.404 4.876 -2.672 38 HE2 HIS 5 2HE HIS 5 -14.351 6.100 -3.646 39 H HIS 6 H HIS 6 -15.546 1.210 1.282 40 HA HIS 6 HA HIS 6 -17.947 0.325 2.688 41 1HB HIS 6 2HB HIS 6 -15.042 -0.009 3.561 42 2HB HIS 6 1HB HIS 6 -16.432 -0.835 4.207 43 HD1 HIS 6 1HD HIS 6 -14.311 -0.736 1.040 44 HD2 HIS 6 2HD HIS 6 -17.087 -3.189 2.950 45 HE1 HIS 6 1HE HIS 6 -14.263 -2.900 -0.194 46 HE2 HIS 6 2HE HIS 6 -15.644 -4.427 1.236 47 H HIS 7 H HIS 7 -18.870 2.169 3.470 48 HA HIS 7 HA HIS 7 -17.275 4.264 4.587 49 1HB HIS 7 2HB HIS 7 -19.313 4.756 3.243 50 2HB HIS 7 1HB HIS 7 -20.294 4.038 4.509 51 HD1 HIS 7 1HD HIS 7 -21.492 5.938 5.621 52 HD2 HIS 7 2HD HIS 7 -17.528 6.881 4.784 53 HE1 HIS 7 1HE HIS 7 -21.132 8.233 6.539 54 HE2 HIS 7 2HE HIS 7 -18.677 8.677 6.221 55 H HIS 8 H HIS 8 -16.258 3.474 6.261 56 HA HIS 8 HA HIS 8 -17.130 3.878 8.829 57 1HB HIS 8 2HB HIS 8 -18.576 1.821 8.491 58 2HB HIS 8 1HB HIS 8 -17.118 0.898 8.155 59 HD1 HIS 8 1HD HIS 8 -17.008 -0.642 10.143 60 HD2 HIS 8 2HD HIS 8 -17.694 3.301 11.240 61 HE1 HIS 8 1HE HIS 8 -16.898 -0.608 12.630 62 HE2 HIS 8 2HE HIS 8 -17.564 1.712 13.266 63 H LEU 9 H LEU 9 -15.327 1.519 6.949 64 HA LEU 9 HA LEU 9 -12.901 2.741 6.989 65 1HB LEU 9 2HB LEU 9 -11.495 1.373 8.435 66 2HB LEU 9 1HB LEU 9 -12.780 1.980 9.432 67 HG LEU 9 HG LEU 9 -12.325 -0.187 10.164 68 1HD1 LEU 9 1HD1 LEU 9 -14.770 -0.400 8.496 69 2HD1 LEU 9 2HD1 LEU 9 -14.632 0.182 10.155 70 3HD1 LEU 9 3HD1 LEU 9 -14.303 -1.513 9.779 71 1HD2 LEU 9 1HD2 LEU 9 -12.268 -2.208 8.751 72 2HD2 LEU 9 2HD2 LEU 9 -11.012 -1.044 8.332 73 3HD2 LEU 9 3HD2 LEU 9 -12.452 -1.190 7.323 74 H GLU 10 H GLU 10 -11.517 1.510 5.551 75 HA GLU 10 HA GLU 10 -13.260 -0.396 4.233 76 1HB GLU 10 2HB GLU 10 -11.093 1.235 2.968 77 2HB GLU 10 1HB GLU 10 -12.080 0.037 2.144 78 1HG GLU 10 2HG GLU 10 -14.047 1.468 3.026 79 2HG GLU 10 1HG GLU 10 -12.823 2.724 3.174 80 H GLU 11 H GLU 11 -12.889 -2.438 4.573 81 HA GLU 11 HA GLU 11 -10.231 -3.326 4.686 82 1HB GLU 11 2HB GLU 11 -11.805 -4.406 6.122 83 2HB GLU 11 1HB GLU 11 -12.902 -4.685 4.773 84 1HG GLU 11 2HG GLU 11 -11.363 -6.153 3.745 85 2HG GLU 11 1HG GLU 11 -10.128 -5.856 4.847 86 H PHE 12 H PHE 12 -9.215 -3.791 3.018 87 HA PHE 12 HA PHE 12 -10.602 -4.370 0.520 88 1HB PHE 12 2HB PHE 12 -8.047 -3.072 1.224 89 2HB PHE 12 1HB PHE 12 -8.399 -3.899 -0.271 90 HD1 PHE 12 1HD PHE 12 -8.985 -0.903 1.799 91 HD2 PHE 12 2HD PHE 12 -10.090 -2.864 -1.819 92 HE1 PHE 12 1HE PHE 12 -9.989 1.166 0.985 93 HE2 PHE 12 2HE PHE 12 -11.109 -0.782 -2.621 94 HZ PHE 12 HZ PHE 12 -11.055 1.236 -1.223 95 H THR 13 H THR 13 -10.159 -6.319 -0.311 96 HA THR 13 HA THR 13 -8.029 -7.812 0.970 97 HB THR 13 HB THR 13 -9.846 -8.818 -1.229 98 HG1 THR 13 1HG THR 13 -10.701 -7.899 1.013 99 1HG2 THR 13 1HG2 THR 13 -9.395 -10.981 -0.174 100 2HG2 THR 13 2HG2 THR 13 -8.405 -10.138 1.045 101 3HG2 THR 13 3HG2 THR 13 -7.900 -10.146 -0.638 102 H ALA 14 H ALA 14 -6.488 -8.880 -0.454 103 HA ALA 14 HA ALA 14 -4.967 -6.908 -1.720 104 1HB ALA 14 1HB ALA 14 -4.520 -9.845 -2.137 105 2HB ALA 14 2HB ALA 14 -4.028 -8.930 -0.710 106 3HB ALA 14 3HB ALA 14 -3.336 -8.544 -2.287 107 H GLU 15 H GLU 15 -6.792 -9.429 -3.525 108 HA GLU 15 HA GLU 15 -5.873 -8.382 -6.023 109 1HB GLU 15 2HB GLU 15 -8.243 -10.218 -5.507 110 2HB GLU 15 1HB GLU 15 -7.587 -9.830 -7.081 111 1HG GLU 15 2HG GLU 15 -5.462 -10.862 -6.467 112 2HG GLU 15 1HG GLU 15 -6.118 -11.280 -4.892 113 H GLN 16 H GLN 16 -8.610 -7.877 -4.027 114 HA GLN 16 HA GLN 16 -10.108 -6.268 -5.749 115 1HB GLN 16 2HB GLN 16 -10.001 -6.628 -2.823 116 2HB GLN 16 1HB GLN 16 -11.075 -5.427 -3.512 117 1HG GLN 16 2HG GLN 16 -12.284 -7.061 -4.697 118 2HG GLN 16 1HG GLN 16 -11.048 -8.283 -4.397 119 1HE2 GLN 16 1HE2 GLN 16 -10.916 -9.207 -2.563 120 2HE2 GLN 16 2HE2 GLN 16 -12.046 -9.126 -1.293 121 H LEU 17 H LEU 17 -7.637 -5.544 -3.344 122 HA LEU 17 HA LEU 17 -7.700 -2.736 -3.288 123 1HB LEU 17 2HB LEU 17 -6.347 -4.459 -1.871 124 2HB LEU 17 1HB LEU 17 -5.178 -4.406 -3.161 125 HG LEU 17 HG LEU 17 -4.341 -3.016 -1.404 126 1HD1 LEU 17 1HD1 LEU 17 -4.180 -0.848 -2.251 127 2HD1 LEU 17 2HD1 LEU 17 -5.466 -1.205 -3.407 128 3HD1 LEU 17 3HD1 LEU 17 -3.926 -2.084 -3.489 129 1HD2 LEU 17 1HD2 LEU 17 -5.565 -1.167 -0.437 130 2HD2 LEU 17 2HD2 LEU 17 -6.349 -2.720 -0.146 131 3HD2 LEU 17 3HD2 LEU 17 -6.981 -1.628 -1.386 132 H SER 18 H SER 18 -6.148 -5.046 -5.415 133 HA SER 18 HA SER 18 -4.523 -3.349 -6.921 134 1HB SER 18 2HB SER 18 -5.817 -5.958 -7.727 135 2HB SER 18 1HB SER 18 -4.440 -5.201 -8.529 136 HG SER 18 HG SER 18 -4.547 -6.167 -5.848 137 H GLN 19 H GLN 19 -7.902 -3.790 -6.953 138 HA GLN 19 HA GLN 19 -8.318 -2.872 -9.673 139 1HB GLN 19 2HB GLN 19 -10.275 -3.450 -7.445 140 2HB GLN 19 1HB GLN 19 -10.694 -3.123 -9.121 141 1HG GLN 19 2HG GLN 19 -9.607 -5.144 -9.840 142 2HG GLN 19 1HG GLN 19 -9.011 -5.440 -8.211 143 1HE2 GLN 19 1HE2 GLN 19 -9.996 -7.403 -8.099 144 2HE2 GLN 19 2HE2 GLN 19 -11.698 -7.618 -7.919 145 H TYR 20 H TYR 20 -7.448 -1.363 -6.903 146 HA TYR 20 HA TYR 20 -8.967 1.089 -7.524 147 1HB TYR 20 2HB TYR 20 -7.923 0.114 -4.849 148 2HB TYR 20 1HB TYR 20 -8.550 1.725 -5.157 149 HD1 TYR 20 1HD TYR 20 -9.569 -1.849 -5.392 150 HD2 TYR 20 2HD TYR 20 -10.830 2.164 -4.829 151 HE1 TYR 20 1HE TYR 20 -11.838 -2.643 -4.920 152 HE2 TYR 20 2HE TYR 20 -13.120 1.381 -4.351 153 HH TYR 20 HH TYR 20 -13.798 -1.869 -3.728 154 H ASN 21 H ASN 21 -6.463 0.171 -8.732 155 HA ASN 21 HA ASN 21 -4.516 1.944 -7.557 156 1HB ASN 21 2HB ASN 21 -2.934 1.255 -9.267 157 2HB ASN 21 1HB ASN 21 -3.740 -0.166 -8.638 158 1HD2 ASN 21 1HD2 ASN 21 -5.077 -1.373 -10.025 159 2HD2 ASN 21 2HD2 ASN 21 -5.054 -1.093 -11.716 160 H GLY 22 H GLY 22 -7.124 2.578 -9.246 161 1HA GLY 22 2HA GLY 22 -7.777 4.752 -9.857 162 2HA GLY 22 1HA GLY 22 -6.087 5.197 -10.007 163 H THR 23 H THR 23 -6.168 2.509 -11.688 164 HA THR 23 HA THR 23 -6.186 3.979 -14.125 165 HB THR 23 HB THR 23 -4.654 2.114 -13.643 166 HG1 THR 23 1HG THR 23 -4.647 1.402 -15.766 167 1HG2 THR 23 1HG2 THR 23 -7.097 0.416 -14.106 168 2HG2 THR 23 2HG2 THR 23 -6.146 0.524 -12.621 169 3HG2 THR 23 3HG2 THR 23 -5.450 -0.215 -14.064 170 H ASP 24 H ASP 24 -8.630 2.288 -12.436 171 HA ASP 24 HA ASP 24 -10.077 1.573 -14.782 172 1HB ASP 24 2HB ASP 24 -10.382 0.431 -12.425 173 2HB ASP 24 1HB ASP 24 -11.205 1.901 -12.050 174 H GLU 25 H GLU 25 -10.262 3.474 -15.918 175 HA GLU 25 HA GLU 25 -11.280 5.196 -16.767 176 1HB GLU 25 2HB GLU 25 -13.222 4.949 -14.471 177 2HB GLU 25 1HB GLU 25 -13.441 5.982 -15.877 178 1HG GLU 25 2HG GLU 25 -13.244 2.978 -15.902 179 2HG GLU 25 1HG GLU 25 -14.720 3.922 -16.093 180 H SER 26 H SER 26 -11.416 5.715 -13.296 181 HA SER 26 HA SER 26 -9.591 7.870 -13.171 182 1HB SER 26 2HB SER 26 -11.202 9.761 -13.061 183 2HB SER 26 1HB SER 26 -11.204 8.852 -14.600 184 HG SER 26 HG SER 26 -13.301 9.019 -14.154 185 H LYS 27 H LYS 27 -10.801 5.486 -11.705 186 HA LYS 27 HA LYS 27 -12.268 6.488 -9.485 187 1HB LYS 27 2HB LYS 27 -12.201 4.170 -8.657 188 2HB LYS 27 1HB LYS 27 -12.535 4.197 -10.371 189 1HG LYS 27 2HG LYS 27 -10.272 3.533 -10.826 190 2HG LYS 27 1HG LYS 27 -9.888 3.618 -9.103 191 1HD LYS 27 2HD LYS 27 -11.982 1.818 -10.323 192 2HD LYS 27 1HD LYS 27 -10.367 1.301 -9.821 193 1HE LYS 27 2HE LYS 27 -10.960 1.935 -7.501 194 2HE LYS 27 1HE LYS 27 -12.558 2.416 -8.066 195 1HZ LYS 27 1HZ LYS 27 -12.585 0.181 -7.153 196 2HZ LYS 27 2HZ LYS 27 -11.452 -0.313 -8.330 197 3HZ LYS 27 3HZ LYS 27 -12.971 0.194 -8.795 198 HA PRO 28 HA PRO 28 -9.309 7.637 -6.359 199 1HB PRO 28 2HB PRO 28 -10.053 5.920 -4.290 200 2HB PRO 28 1HB PRO 28 -10.770 7.496 -4.628 201 1HG PRO 28 2HG PRO 28 -11.687 4.781 -5.463 202 2HG PRO 28 1HG PRO 28 -12.649 6.148 -4.865 203 1HD PRO 28 2HD PRO 28 -12.636 5.629 -7.441 204 2HD PRO 28 1HD PRO 28 -12.468 7.304 -6.897 205 H ILE 29 H ILE 29 -7.428 7.004 -5.302 206 HA ILE 29 HA ILE 29 -6.349 4.442 -6.258 207 HB ILE 29 HB ILE 29 -4.737 6.965 -5.663 208 1HG1 ILE 29 2HG1 ILE 29 -4.309 7.014 -8.163 209 2HG1 ILE 29 1HG1 ILE 29 -5.646 5.873 -8.328 210 1HG2 ILE 29 1HG2 ILE 29 -4.005 4.386 -6.992 211 2HG2 ILE 29 2HG2 ILE 29 -3.517 4.902 -5.384 212 3HG2 ILE 29 3HG2 ILE 29 -2.925 5.770 -6.811 213 1HD1 ILE 29 1HD1 ILE 29 -5.714 8.698 -7.336 214 2HD1 ILE 29 2HD1 ILE 29 -7.116 7.621 -7.362 215 3HD1 ILE 29 3HD1 ILE 29 -6.338 8.111 -8.876 216 H TYR 30 H TYR 30 -5.404 3.099 -4.735 217 HA TYR 30 HA TYR 30 -4.976 4.141 -2.017 218 1HB TYR 30 2HB TYR 30 -6.653 1.717 -2.682 219 2HB TYR 30 1HB TYR 30 -6.045 2.094 -1.076 220 HD1 TYR 30 1HD TYR 30 -6.780 4.169 0.030 221 HD2 TYR 30 2HD TYR 30 -8.617 2.767 -3.519 222 HE1 TYR 30 1HE TYR 30 -8.699 5.617 0.458 223 HE2 TYR 30 2HE TYR 30 -10.549 4.209 -3.100 224 HH TYR 30 HH TYR 30 -10.365 6.697 -0.847 225 H VAL 31 H VAL 31 -3.297 3.554 -1.075 226 HA VAL 31 HA VAL 31 -1.745 1.334 -2.235 227 HB VAL 31 HB VAL 31 0.235 2.317 -1.168 228 1HG1 VAL 31 1HG1 VAL 31 -1.128 4.259 -3.012 229 2HG1 VAL 31 2HG1 VAL 31 -0.077 2.889 -3.444 230 3HG1 VAL 31 3HG1 VAL 31 0.588 4.255 -2.573 231 1HG2 VAL 31 1HG2 VAL 31 0.210 4.603 -0.282 232 2HG2 VAL 31 2HG2 VAL 31 -0.776 3.473 0.656 233 3HG2 VAL 31 3HG2 VAL 31 -1.550 4.612 -0.449 234 H ALA 32 H ALA 32 -0.655 -0.002 -0.694 235 HA ALA 32 HA ALA 32 -1.688 0.265 2.007 236 1HB ALA 32 1HB ALA 32 -3.012 -1.437 0.848 237 2HB ALA 32 2HB ALA 32 -2.027 -2.150 2.126 238 3HB ALA 32 3HB ALA 32 -1.541 -2.315 0.441 239 H ILE 33 H ILE 33 -0.224 -0.054 3.519 240 HA ILE 33 HA ILE 33 2.341 -1.245 2.727 241 HB ILE 33 HB ILE 33 1.983 1.162 4.531 242 1HG1 ILE 33 2HG1 ILE 33 3.291 0.964 1.818 243 2HG1 ILE 33 1HG1 ILE 33 1.769 1.773 2.149 244 1HG2 ILE 33 1HG2 ILE 33 3.770 -0.210 5.342 245 2HG2 ILE 33 2HG2 ILE 33 4.469 1.225 4.548 246 3HG2 ILE 33 3HG2 ILE 33 4.466 -0.322 3.728 247 1HD1 ILE 33 1HD1 ILE 33 3.598 3.374 1.964 248 2HD1 ILE 33 2HD1 ILE 33 4.461 2.529 3.251 249 3HD1 ILE 33 3HD1 ILE 33 2.951 3.359 3.610 250 H LYS 34 H LYS 34 2.272 -3.105 3.812 251 HA LYS 34 HA LYS 34 2.572 -4.501 5.574 252 1HB LYS 34 2HB LYS 34 3.939 -2.572 6.438 253 2HB LYS 34 1HB LYS 34 2.521 -1.895 7.175 254 1HG LYS 34 2HG LYS 34 3.701 -4.536 8.023 255 2HG LYS 34 1HG LYS 34 4.275 -2.997 8.650 256 1HD LYS 34 2HD LYS 34 1.907 -2.560 9.395 257 2HD LYS 34 1HD LYS 34 1.543 -4.222 8.938 258 1HE LYS 34 2HE LYS 34 2.013 -4.113 11.292 259 2HE LYS 34 1HE LYS 34 3.282 -5.006 10.464 260 1HZ LYS 34 1HZ LYS 34 4.171 -3.436 12.089 261 2HZ LYS 34 2HZ LYS 34 3.518 -2.129 11.242 262 3HZ LYS 34 3HZ LYS 34 4.706 -3.070 10.551 263 H GLY 35 H GLY 35 0.019 -3.378 4.498 264 1HA GLY 35 2HA GLY 35 -2.032 -4.407 4.798 265 2HA GLY 35 1HA GLY 35 -1.821 -4.509 6.498 266 H ARG 36 H ARG 36 -0.745 -1.491 5.951 267 HA ARG 36 HA ARG 36 -3.317 -0.401 6.725 268 1HB ARG 36 2HB ARG 36 -0.599 0.935 6.570 269 2HB ARG 36 1HB ARG 36 -2.037 1.585 7.355 270 1HG ARG 36 2HG ARG 36 -2.008 -0.324 8.930 271 2HG ARG 36 1HG ARG 36 -0.544 -0.888 8.106 272 1HD ARG 36 2HD ARG 36 -0.030 0.271 10.222 273 2HD ARG 36 1HD ARG 36 0.664 1.086 8.828 274 HE ARG 36 HE ARG 36 -0.642 2.907 9.244 275 1HH1 ARG 36 1HH1 ARG 36 -1.833 0.254 11.317 276 2HH1 ARG 36 2HH1 ARG 36 -2.728 1.297 12.325 277 1HH2 ARG 36 1HH2 ARG 36 -1.853 4.280 10.682 278 2HH2 ARG 36 2HH2 ARG 36 -2.750 3.614 11.968 279 H VAL 37 H VAL 37 -4.637 0.406 5.235 280 HA VAL 37 HA VAL 37 -3.582 1.073 2.605 281 HB VAL 37 HB VAL 37 -6.447 0.770 3.567 282 1HG1 VAL 37 1HG1 VAL 37 -6.320 2.407 1.752 283 2HG1 VAL 37 2HG1 VAL 37 -7.076 0.910 1.203 284 3HG1 VAL 37 3HG1 VAL 37 -5.396 1.262 0.778 285 1HG2 VAL 37 1HG2 VAL 37 -4.739 -0.936 1.782 286 2HG2 VAL 37 2HG2 VAL 37 -6.436 -1.222 2.163 287 3HG2 VAL 37 3HG2 VAL 37 -5.218 -1.314 3.436 288 H PHE 38 H PHE 38 -3.320 3.019 1.923 289 HA PHE 38 HA PHE 38 -4.365 5.275 3.522 290 1HB PHE 38 2HB PHE 38 -1.988 5.101 1.730 291 2HB PHE 38 1HB PHE 38 -2.458 6.552 2.613 292 HD1 PHE 38 1HD PHE 38 -0.894 3.248 2.796 293 HD2 PHE 38 2HD PHE 38 -2.025 6.694 5.005 294 HE1 PHE 38 1HE PHE 38 0.547 2.528 4.641 295 HE2 PHE 38 2HE PHE 38 -0.586 5.976 6.860 296 HZ PHE 38 HZ PHE 38 0.707 3.888 6.680 297 H ASP 39 H ASP 39 -5.392 6.922 2.408 298 HA ASP 39 HA ASP 39 -6.199 6.365 -0.345 299 1HB ASP 39 2HB ASP 39 -7.831 7.325 1.372 300 2HB ASP 39 1HB ASP 39 -6.892 8.806 1.329 301 H VAL 40 H VAL 40 -4.944 6.990 -1.943 302 HA VAL 40 HA VAL 40 -3.322 9.422 -1.583 303 HB VAL 40 HB VAL 40 -1.665 8.418 -3.174 304 1HG1 VAL 40 1HG1 VAL 40 -0.644 6.885 -1.603 305 2HG1 VAL 40 2HG1 VAL 40 -2.145 6.824 -0.664 306 3HG1 VAL 40 3HG1 VAL 40 -1.234 8.333 -0.797 307 1HG2 VAL 40 1HG2 VAL 40 -1.703 6.037 -3.599 308 2HG2 VAL 40 2HG2 VAL 40 -3.152 6.808 -4.244 309 3HG2 VAL 40 3HG2 VAL 40 -3.237 5.884 -2.741 310 H THR 41 H THR 41 -6.010 9.070 -2.652 311 HA THR 41 HA THR 41 -6.033 9.073 -5.444 312 HB THR 41 HB THR 41 -7.997 10.395 -3.569 313 HG1 THR 41 1HG THR 41 -8.046 8.402 -2.905 314 1HG2 THR 41 1HG2 THR 41 -8.249 9.292 -6.365 315 2HG2 THR 41 2HG2 THR 41 -8.376 10.987 -5.892 316 3HG2 THR 41 3HG2 THR 41 -9.612 9.832 -5.383 317 H THR 42 H THR 42 -5.472 11.616 -3.093 318 HA THR 42 HA THR 42 -5.796 13.800 -4.859 319 HB THR 42 HB THR 42 -4.651 15.017 -2.954 320 HG1 THR 42 1HG THR 42 -3.780 13.845 -1.414 321 1HG2 THR 42 1HG2 THR 42 -7.109 14.819 -3.098 322 2HG2 THR 42 2HG2 THR 42 -6.567 14.741 -1.421 323 3HG2 THR 42 3HG2 THR 42 -7.024 13.264 -2.271 324 H GLY 43 H GLY 43 -3.224 11.649 -4.020 325 1HA GLY 43 2HA GLY 43 -1.247 13.305 -5.423 326 2HA GLY 43 1HA GLY 43 -0.872 11.989 -4.314 327 H LYS 44 H LYS 44 -3.187 12.070 -6.939 328 HA LYS 44 HA LYS 44 -2.568 9.508 -7.886 329 1HB LYS 44 2HB LYS 44 -4.683 10.693 -8.344 330 2HB LYS 44 1HB LYS 44 -3.815 11.771 -9.429 331 1HG LYS 44 2HG LYS 44 -3.187 9.791 -10.797 332 2HG LYS 44 1HG LYS 44 -4.227 8.808 -9.767 333 1HD LYS 44 2HD LYS 44 -6.097 10.351 -10.344 334 2HD LYS 44 1HD LYS 44 -4.973 11.134 -11.457 335 1HE LYS 44 2HE LYS 44 -4.679 9.022 -12.681 336 2HE LYS 44 1HE LYS 44 -5.831 8.250 -11.593 337 1HZ LYS 44 1HZ LYS 44 -6.896 8.907 -13.676 338 2HZ LYS 44 2HZ LYS 44 -6.422 10.504 -13.416 339 3HZ LYS 44 3HZ LYS 44 -7.532 9.806 -12.392 340 H SER 45 H SER 45 -1.328 12.673 -8.752 341 HA SER 45 HA SER 45 0.106 11.958 -11.056 342 1HB SER 45 2HB SER 45 0.666 14.146 -9.059 343 2HB SER 45 1HB SER 45 1.335 14.060 -10.692 344 HG SER 45 HG SER 45 -0.776 15.271 -10.090 345 H PHE 46 H PHE 46 0.617 10.899 -7.960 346 HA PHE 46 HA PHE 46 3.434 10.299 -8.514 347 1HB PHE 46 2HB PHE 46 1.919 10.186 -5.899 348 2HB PHE 46 1HB PHE 46 3.605 9.749 -6.113 349 HD1 PHE 46 1HD PHE 46 1.233 12.403 -5.615 350 HD2 PHE 46 2HD PHE 46 5.243 11.503 -6.689 351 HE1 PHE 46 1HE PHE 46 1.874 14.721 -5.140 352 HE2 PHE 46 2HE PHE 46 5.896 13.813 -6.218 353 HZ PHE 46 HZ PHE 46 4.210 15.433 -5.440 354 H TYR 47 H TYR 47 0.346 8.964 -7.354 355 HA TYR 47 HA TYR 47 1.489 6.308 -7.481 356 1HB TYR 47 2HB TYR 47 -1.076 7.290 -6.256 357 2HB TYR 47 1HB TYR 47 -0.474 5.638 -6.141 358 HD1 TYR 47 1HD TYR 47 1.504 5.137 -4.769 359 HD2 TYR 47 2HD TYR 47 -0.024 9.092 -5.011 360 HE1 TYR 47 1HE TYR 47 2.904 5.797 -2.862 361 HE2 TYR 47 2HE TYR 47 1.365 9.760 -3.106 362 HH TYR 47 HH TYR 47 3.874 7.770 -1.930 363 H GLY 48 H GLY 48 -1.686 7.692 -8.557 364 1HA GLY 48 2HA GLY 48 -2.146 5.218 -9.996 365 2HA GLY 48 1HA GLY 48 -3.275 6.539 -9.812 366 H SER 49 H SER 49 -0.592 8.025 -10.791 367 HA SER 49 HA SER 49 -0.629 7.378 -13.570 368 1HB SER 49 2HB SER 49 -2.677 8.686 -13.289 369 2HB SER 49 1HB SER 49 -1.763 10.043 -12.631 370 HG SER 49 HG SER 49 -1.121 8.964 -15.157 371 H GLY 50 H GLY 50 1.054 7.698 -11.149 372 1HA GLY 50 2HA GLY 50 2.743 9.972 -11.884 373 2HA GLY 50 1HA GLY 50 2.849 9.041 -10.392 374 H GLY 51 H GLY 51 2.404 6.680 -12.177 375 1HA GLY 51 2HA GLY 51 3.542 5.168 -13.263 376 2HA GLY 51 1HA GLY 51 4.695 6.379 -13.861 377 H ASP 52 H ASP 52 5.681 7.087 -11.394 378 HA ASP 52 HA ASP 52 7.592 5.036 -10.964 379 1HB ASP 52 2HB ASP 52 8.030 7.377 -10.819 380 2HB ASP 52 1HB ASP 52 6.943 7.480 -9.432 381 H TYR 53 H TYR 53 4.844 6.212 -9.073 382 HA TYR 53 HA TYR 53 5.243 4.007 -7.186 383 1HB TYR 53 2HB TYR 53 3.441 6.419 -7.050 384 2HB TYR 53 1HB TYR 53 3.501 5.160 -5.828 385 HD1 TYR 53 1HD TYR 53 4.935 8.205 -7.068 386 HD2 TYR 53 2HD TYR 53 5.630 4.895 -4.499 387 HE1 TYR 53 1HE TYR 53 6.654 9.494 -5.892 388 HE2 TYR 53 2HE TYR 53 7.364 6.172 -3.310 389 HH TYR 53 HH TYR 53 8.853 8.079 -3.759 390 H SER 54 H SER 54 4.172 3.790 -9.956 391 HA SER 54 HA SER 54 1.379 3.480 -10.051 392 1HB SER 54 2HB SER 54 1.853 2.310 -12.175 393 2HB SER 54 1HB SER 54 2.937 3.668 -11.904 394 HG SER 54 HG SER 54 4.506 2.482 -12.051 395 H MET 55 H MET 55 3.893 1.479 -8.957 396 HA MET 55 HA MET 55 2.403 -0.997 -9.019 397 1HB MET 55 2HB MET 55 5.163 -0.436 -7.945 398 2HB MET 55 1HB MET 55 4.493 -2.006 -8.401 399 1HG MET 55 2HG MET 55 4.776 0.310 -10.146 400 2HG MET 55 1HG MET 55 5.987 -0.877 -10.250 401 1HE MET 55 1HE MET 55 4.603 -0.026 -12.857 402 2HE MET 55 2HE MET 55 4.148 -1.558 -13.603 403 3HE MET 55 3HE MET 55 5.700 -1.400 -12.785 404 H PHE 56 H PHE 56 2.713 1.566 -7.046 405 HA PHE 56 HA PHE 56 2.231 0.136 -4.540 406 1HB PHE 56 2HB PHE 56 2.626 3.082 -5.134 407 2HB PHE 56 1HB PHE 56 2.450 2.373 -3.542 408 HD1 PHE 56 1HD PHE 56 4.346 2.011 -2.340 409 HD2 PHE 56 2HD PHE 56 4.630 2.035 -6.572 410 HE1 PHE 56 1HE PHE 56 6.745 1.759 -2.174 411 HE2 PHE 56 2HE PHE 56 7.055 1.785 -6.422 412 HZ PHE 56 HZ PHE 56 8.141 1.642 -4.216 413 H ALA 57 H ALA 57 0.857 2.119 -7.025 414 HA ALA 57 HA ALA 57 -1.217 3.488 -5.956 415 1HB ALA 57 1HB ALA 57 -2.213 3.519 -8.157 416 2HB ALA 57 2HB ALA 57 -1.196 2.154 -8.642 417 3HB ALA 57 3HB ALA 57 -0.464 3.701 -8.237 418 H GLY 58 H GLY 58 -1.262 0.049 -6.498 419 1HA GLY 58 2HA GLY 58 -3.638 -0.046 -4.901 420 2HA GLY 58 1HA GLY 58 -3.906 -0.697 -6.499 421 H LYS 59 H LYS 59 -1.180 -0.789 -4.290 422 HA LYS 59 HA LYS 59 -1.523 -3.659 -4.087 423 1HB LYS 59 2HB LYS 59 -0.162 -3.178 -6.111 424 2HB LYS 59 1HB LYS 59 0.972 -2.320 -5.102 425 1HG LYS 59 2HG LYS 59 1.823 -4.495 -5.654 426 2HG LYS 59 1HG LYS 59 1.493 -4.396 -3.926 427 1HD LYS 59 2HD LYS 59 0.859 -6.519 -5.048 428 2HD LYS 59 1HD LYS 59 -0.429 -5.756 -4.126 429 1HE LYS 59 2HE LYS 59 -1.427 -4.909 -6.160 430 2HE LYS 59 1HE LYS 59 -0.054 -5.415 -7.131 431 1HZ LYS 59 1HZ LYS 59 -2.017 -6.878 -7.324 432 2HZ LYS 59 2HZ LYS 59 -1.896 -7.270 -5.682 433 3HZ LYS 59 3HZ LYS 59 -0.662 -7.687 -6.757 434 H ASP 60 H ASP 60 -0.571 -4.432 -2.172 435 HA ASP 60 HA ASP 60 0.329 -2.431 -0.312 436 1HB ASP 60 2HB ASP 60 -0.917 -4.463 0.456 437 2HB ASP 60 1HB ASP 60 0.435 -5.448 -0.085 438 H ALA 61 H ALA 61 2.266 -1.782 -0.190 439 HA ALA 61 HA ALA 61 4.239 -3.141 -1.893 440 1HB ALA 61 1HB ALA 61 5.207 -0.951 -2.262 441 2HB ALA 61 2HB ALA 61 4.009 -0.238 -1.185 442 3HB ALA 61 3HB ALA 61 3.500 -0.981 -2.700 443 H SER 62 H SER 62 3.739 -3.573 1.070 444 HA SER 62 HA SER 62 5.659 -2.244 2.549 445 1HB SER 62 2HB SER 62 5.534 -4.261 4.092 446 2HB SER 62 1HB SER 62 4.011 -3.446 3.738 447 HG SER 62 HG SER 62 3.418 -5.055 2.441 448 H ARG 63 H ARG 63 6.034 -5.431 1.001 449 HA ARG 63 HA ARG 63 8.767 -5.682 1.558 450 1HB ARG 63 2HB ARG 63 7.638 -7.624 0.793 451 2HB ARG 63 1HB ARG 63 7.121 -6.828 -0.687 452 1HG ARG 63 2HG ARG 63 9.416 -6.758 -1.471 453 2HG ARG 63 1HG ARG 63 9.973 -7.495 0.024 454 1HD ARG 63 2HD ARG 63 8.907 -9.545 -0.503 455 2HD ARG 63 1HD ARG 63 7.994 -8.804 -1.822 456 HE ARG 63 HE ARG 63 10.517 -8.354 -2.547 457 1HH1 ARG 63 1HH1 ARG 63 8.883 -11.347 -1.605 458 2HH1 ARG 63 2HH1 ARG 63 9.799 -12.336 -2.645 459 1HH2 ARG 63 1HH2 ARG 63 11.677 -9.641 -3.971 460 2HH2 ARG 63 2HH2 ARG 63 11.460 -11.350 -4.066 461 H ALA 64 H ALA 64 7.125 -3.943 -0.966 462 HA ALA 64 HA ALA 64 9.332 -3.815 -2.774 463 1HB ALA 64 1HB ALA 64 7.037 -3.675 -3.571 464 2HB ALA 64 2HB ALA 64 7.949 -2.234 -4.024 465 3HB ALA 64 3HB ALA 64 6.808 -2.169 -2.679 466 H LEU 65 H LEU 65 7.985 -1.898 -0.285 467 HA LEU 65 HA LEU 65 9.459 0.462 -0.608 468 1HB LEU 65 2HB LEU 65 8.045 -0.856 1.618 469 2HB LEU 65 1HB LEU 65 8.873 0.658 1.863 470 HG LEU 65 HG LEU 65 6.575 0.199 -0.080 471 1HD1 LEU 65 1HD1 LEU 65 5.868 0.117 2.242 472 2HD1 LEU 65 2HD1 LEU 65 5.311 1.581 1.434 473 3HD1 LEU 65 3HD1 LEU 65 6.662 1.657 2.557 474 1HD2 LEU 65 1HD2 LEU 65 8.142 1.931 -0.806 475 2HD2 LEU 65 2HD2 LEU 65 8.017 2.611 0.814 476 3HD2 LEU 65 3HD2 LEU 65 6.600 2.635 -0.239 477 H GLY 66 H GLY 66 10.228 -2.478 1.165 478 1HA GLY 66 2HA GLY 66 12.611 -1.182 2.180 479 2HA GLY 66 1HA GLY 66 12.170 -2.843 2.510 480 H LYS 67 H LYS 67 11.734 -3.248 -0.413 481 HA LYS 67 HA LYS 67 14.439 -3.985 -1.117 482 1HB LYS 67 2HB LYS 67 11.870 -4.121 -2.710 483 2HB LYS 67 1HB LYS 67 13.365 -4.905 -3.152 484 1HG LYS 67 2HG LYS 67 11.936 -5.581 -0.591 485 2HG LYS 67 1HG LYS 67 11.454 -6.278 -2.117 486 1HD LYS 67 2HD LYS 67 12.889 -7.790 -0.848 487 2HD LYS 67 1HD LYS 67 13.634 -7.316 -2.363 488 1HE LYS 67 2HE LYS 67 15.092 -5.850 -1.273 489 2HE LYS 67 1HE LYS 67 14.270 -6.025 0.284 490 1HZ LYS 67 1HZ LYS 67 15.800 -8.150 -1.166 491 2HZ LYS 67 2HZ LYS 67 14.931 -8.368 0.276 492 3HZ LYS 67 3HZ LYS 67 16.251 -7.354 0.265 493 H MET 68 H MET 68 12.074 -1.582 -1.955 494 HA MET 68 HA MET 68 12.081 0.368 -2.998 495 1HB MET 68 2HB MET 68 15.095 0.038 -3.247 496 2HB MET 68 1HB MET 68 14.201 1.507 -3.627 497 1HG MET 68 2HG MET 68 13.480 1.501 -1.205 498 2HG MET 68 1HG MET 68 14.595 0.181 -0.979 499 1HE MET 68 1HE MET 68 15.980 4.390 -2.293 500 2HE MET 68 2HE MET 68 14.297 3.970 -1.979 501 3HE MET 68 3HE MET 68 15.127 3.297 -3.378 502 H SER 69 H SER 69 11.582 -1.989 -4.104 503 HA SER 69 HA SER 69 12.490 -1.821 -6.892 504 1HB SER 69 2HB SER 69 11.583 -4.136 -5.203 505 2HB SER 69 1HB SER 69 12.095 -4.248 -6.894 506 HG SER 69 HG SER 69 13.864 -2.934 -5.344 507 H LYS 70 H LYS 70 11.025 -1.605 -8.409 508 HA LYS 70 HA LYS 70 8.220 -1.406 -7.584 509 1HB LYS 70 2HB LYS 70 9.758 -0.155 -9.832 510 2HB LYS 70 1HB LYS 70 8.017 0.005 -9.618 511 1HG LYS 70 2HG LYS 70 8.226 1.502 -8.034 512 2HG LYS 70 1HG LYS 70 9.495 0.578 -7.212 513 1HD LYS 70 2HD LYS 70 11.110 1.418 -8.742 514 2HD LYS 70 1HD LYS 70 9.891 2.275 -9.668 515 1HE LYS 70 2HE LYS 70 9.394 3.608 -7.595 516 2HE LYS 70 1HE LYS 70 10.713 2.758 -6.791 517 1HZ LYS 70 1HZ LYS 70 11.514 4.831 -7.523 518 2HZ LYS 70 2HZ LYS 70 10.851 4.690 -9.015 519 3HZ LYS 70 3HZ LYS 70 12.192 3.710 -8.597 520 H ASN 71 H ASN 71 10.359 -3.262 -9.285 521 HA ASN 71 HA ASN 71 8.684 -4.360 -11.232 522 1HB ASN 71 2HB ASN 71 10.145 -6.438 -11.040 523 2HB ASN 71 1HB ASN 71 11.033 -4.951 -11.350 524 1HD2 ASN 71 1HD2 ASN 71 10.503 -7.592 -9.234 525 2HD2 ASN 71 2HD2 ASN 71 11.723 -7.169 -8.083 526 H GLU 72 H GLU 72 6.882 -5.354 -11.136 527 HA GLU 72 HA GLU 72 5.380 -5.520 -8.808 528 1HB GLU 72 2HB GLU 72 4.779 -7.174 -11.255 529 2HB GLU 72 1HB GLU 72 3.649 -6.523 -10.091 530 1HG GLU 72 2HG GLU 72 3.314 -5.127 -11.873 531 2HG GLU 72 1HG GLU 72 4.518 -4.219 -10.969 532 H GLU 73 H GLU 73 7.380 -7.795 -10.314 533 HA GLU 73 HA GLU 73 6.560 -10.247 -9.268 534 1HB GLU 73 2HB GLU 73 8.202 -9.806 -11.028 535 2HB GLU 73 1HB GLU 73 9.333 -9.238 -9.831 536 1HG GLU 73 2HG GLU 73 9.875 -11.505 -10.463 537 2HG GLU 73 1HG GLU 73 9.364 -11.418 -8.776 538 H ASP 74 H ASP 74 8.429 -7.631 -7.869 539 HA ASP 74 HA ASP 74 9.220 -9.195 -5.550 540 1HB ASP 74 2HB ASP 74 10.788 -7.537 -6.596 541 2HB ASP 74 1HB ASP 74 9.650 -6.275 -6.166 542 H VAL 75 H VAL 75 7.029 -6.717 -6.526 543 HA VAL 75 HA VAL 75 6.441 -5.644 -3.966 544 HB VAL 75 HB VAL 75 4.563 -5.612 -6.365 545 1HG1 VAL 75 1HG1 VAL 75 3.844 -3.464 -5.500 546 2HG1 VAL 75 2HG1 VAL 75 4.929 -3.634 -4.127 547 3HG1 VAL 75 3HG1 VAL 75 3.566 -4.748 -4.316 548 1HG2 VAL 75 1HG2 VAL 75 6.760 -4.921 -7.088 549 2HG2 VAL 75 2HG2 VAL 75 6.854 -3.776 -5.748 550 3HG2 VAL 75 3HG2 VAL 75 5.673 -3.524 -7.037 551 H SER 76 H SER 76 4.871 -6.186 -2.391 552 HA SER 76 HA SER 76 3.246 -8.520 -2.666 553 1HB SER 76 2HB SER 76 5.555 -9.437 -2.687 554 2HB SER 76 1HB SER 76 5.869 -8.649 -1.159 555 HG SER 76 HG SER 76 3.977 -10.715 -1.631 556 HA PRO 77 HA PRO 77 1.585 -6.420 0.985 557 1HB PRO 77 2HB PRO 77 -0.204 -8.232 1.770 558 2HB PRO 77 1HB PRO 77 -0.383 -7.407 0.218 559 1HG PRO 77 2HG PRO 77 0.691 -10.142 0.790 560 2HG PRO 77 1HG PRO 77 -0.450 -9.629 -0.467 561 1HD PRO 77 2HD PRO 77 2.218 -10.011 -0.918 562 2HD PRO 77 1HD PRO 77 1.215 -8.882 -1.850 563 H SER 78 H SER 78 4.069 -7.973 1.445 564 HA SER 78 HA SER 78 3.948 -8.213 4.355 565 1HB SER 78 2HB SER 78 3.271 -10.548 3.308 566 2HB SER 78 1HB SER 78 4.926 -10.411 2.676 567 HG SER 78 HG SER 78 5.232 -11.474 4.478 568 H LEU 79 H LEU 79 5.996 -8.624 5.159 569 HA LEU 79 HA LEU 79 7.749 -6.810 3.789 570 1HB LEU 79 2HB LEU 79 8.551 -8.407 6.222 571 2HB LEU 79 1HB LEU 79 9.040 -6.826 5.649 572 HG LEU 79 HG LEU 79 6.574 -7.547 7.150 573 1HD1 LEU 79 1HD1 LEU 79 8.693 -5.488 7.644 574 2HD1 LEU 79 2HD1 LEU 79 8.479 -7.017 8.492 575 3HD1 LEU 79 3HD1 LEU 79 7.265 -5.744 8.637 576 1HD2 LEU 79 1HD2 LEU 79 5.715 -5.248 6.788 577 2HD2 LEU 79 2HD2 LEU 79 5.803 -6.239 5.320 578 3HD2 LEU 79 3HD2 LEU 79 7.016 -4.994 5.595 579 H GLU 80 H GLU 80 7.764 -10.151 4.794 580 HA GLU 80 HA GLU 80 8.406 -12.012 3.762 581 1HB GLU 80 2HB GLU 80 7.150 -11.212 1.939 582 2HB GLU 80 1HB GLU 80 8.447 -10.163 1.400 583 1HG GLU 80 2HG GLU 80 8.338 -12.019 -0.044 584 2HG GLU 80 1HG GLU 80 9.764 -12.065 1.040 585 H GLY 81 H GLY 81 10.480 -9.960 1.788 586 1HA GLY 81 2HA GLY 81 12.660 -11.665 2.689 587 2HA GLY 81 1HA GLY 81 12.552 -11.025 1.051 588 H LEU 82 H LEU 82 12.394 -9.785 4.319 589 HA LEU 82 HA LEU 82 14.378 -7.751 3.653 590 1HB LEU 82 2HB LEU 82 11.766 -7.394 5.085 591 2HB LEU 82 1HB LEU 82 13.013 -6.179 4.918 592 HG LEU 82 HG LEU 82 11.581 -7.386 2.556 593 1HD1 LEU 82 1HD1 LEU 82 10.001 -6.376 3.899 594 2HD1 LEU 82 2HD1 LEU 82 10.376 -5.252 2.562 595 3HD1 LEU 82 3HD1 LEU 82 11.045 -4.972 4.207 596 1HD2 LEU 82 1HD2 LEU 82 13.107 -4.843 2.898 597 2HD2 LEU 82 2HD2 LEU 82 12.417 -5.469 1.399 598 3HD2 LEU 82 3HD2 LEU 82 13.768 -6.312 2.183 599 H THR 83 H THR 83 15.941 -7.926 5.085 600 HA THR 83 HA THR 83 15.408 -8.901 7.783 601 HB THR 83 HB THR 83 17.457 -9.765 6.736 602 HG1 THR 83 1HG THR 83 17.771 -9.543 8.862 603 1HG2 THR 83 1HG2 THR 83 17.920 -7.988 5.153 604 2HG2 THR 83 2HG2 THR 83 19.350 -8.226 6.177 605 3HG2 THR 83 3HG2 THR 83 18.224 -6.897 6.494 606 H GLU 84 H GLU 84 16.925 -7.308 9.451 607 HA GLU 84 HA GLU 84 15.183 -5.180 9.872 608 1HB GLU 84 2HB GLU 84 16.469 -5.939 11.727 609 2HB GLU 84 1HB GLU 84 17.997 -5.496 10.945 610 1HG GLU 84 2HG GLU 84 17.398 -3.175 11.200 611 2HG GLU 84 1HG GLU 84 15.824 -3.623 11.847 612 H LYS 85 H LYS 85 18.361 -4.989 8.315 613 HA LYS 85 HA LYS 85 18.507 -2.186 8.090 614 1HB LYS 85 2HB LYS 85 20.180 -2.546 6.369 615 2HB LYS 85 1HB LYS 85 20.362 -3.828 7.561 616 1HG LYS 85 2HG LYS 85 19.000 -5.285 6.157 617 2HG LYS 85 1HG LYS 85 18.896 -4.017 4.979 618 1HD LYS 85 2HD LYS 85 20.455 -5.593 4.270 619 2HD LYS 85 1HD LYS 85 21.306 -4.083 4.623 620 1HE LYS 85 2HE LYS 85 22.033 -5.012 6.797 621 2HE LYS 85 1HE LYS 85 21.184 -6.515 6.428 622 1HZ LYS 85 1HZ LYS 85 22.674 -6.820 4.537 623 2HZ LYS 85 2HZ LYS 85 23.518 -6.741 5.982 624 3HZ LYS 85 3HZ LYS 85 23.519 -5.415 4.940 625 H GLU 86 H GLU 86 16.840 -4.597 6.139 626 HA GLU 86 HA GLU 86 16.250 -2.912 3.953 627 1HB GLU 86 2HB GLU 86 15.501 -5.641 4.822 628 2HB GLU 86 1HB GLU 86 14.942 -4.973 3.318 629 1HG GLU 86 2HG GLU 86 17.367 -4.687 2.668 630 2HG GLU 86 1HG GLU 86 17.790 -5.504 4.168 631 H ILE 87 H ILE 87 14.570 -4.423 6.645 632 HA ILE 87 HA ILE 87 12.031 -3.427 6.063 633 HB ILE 87 HB ILE 87 13.196 -3.948 8.806 634 1HG1 ILE 87 2HG1 ILE 87 11.473 -5.728 7.081 635 2HG1 ILE 87 1HG1 ILE 87 13.199 -5.959 7.344 636 1HG2 ILE 87 1HG2 ILE 87 10.426 -3.712 7.773 637 2HG2 ILE 87 2HG2 ILE 87 11.264 -2.523 8.785 638 3HG2 ILE 87 3HG2 ILE 87 10.813 -4.125 9.460 639 1HD1 ILE 87 1HD1 ILE 87 11.855 -7.436 8.785 640 2HD1 ILE 87 2HD1 ILE 87 11.077 -5.990 9.473 641 3HD1 ILE 87 3HD1 ILE 87 12.783 -6.263 9.730 642 H ASN 88 H ASN 88 14.740 -2.128 7.885 643 HA ASN 88 HA ASN 88 13.661 0.149 9.015 644 1HB ASN 88 2HB ASN 88 16.343 -0.438 7.887 645 2HB ASN 88 1HB ASN 88 15.949 1.156 8.524 646 1HD2 ASN 88 1HD2 ASN 88 17.652 0.669 10.146 647 2HD2 ASN 88 2HD2 ASN 88 17.283 -0.377 11.478 648 H THR 89 H THR 89 14.663 -0.319 5.701 649 HA THR 89 HA THR 89 14.432 2.343 4.896 650 HB THR 89 HB THR 89 14.216 -0.274 3.422 651 HG1 THR 89 1HG THR 89 16.358 1.550 3.783 652 1HG2 THR 89 1HG2 THR 89 14.652 2.508 2.409 653 2HG2 THR 89 2HG2 THR 89 13.221 1.465 2.153 654 3HG2 THR 89 3HG2 THR 89 14.777 1.025 1.428 655 H LEU 90 H LEU 90 12.194 -0.404 4.718 656 HA LEU 90 HA LEU 90 9.986 1.022 3.616 657 1HB LEU 90 2HB LEU 90 9.565 -1.056 3.222 658 2HB LEU 90 1HB LEU 90 10.590 -1.689 4.452 659 HG LEU 90 HG LEU 90 8.552 -0.918 5.982 660 1HD1 LEU 90 1HD1 LEU 90 6.406 -1.236 4.957 661 2HD1 LEU 90 2HD1 LEU 90 7.198 -1.299 3.382 662 3HD1 LEU 90 3HD1 LEU 90 7.285 0.171 4.354 663 1HD2 LEU 90 1HD2 LEU 90 7.598 -3.115 5.825 664 2HD2 LEU 90 2HD2 LEU 90 9.380 -3.185 5.814 665 3HD2 LEU 90 3HD2 LEU 90 8.464 -3.389 4.312 666 H ASN 91 H ASN 91 10.930 0.079 6.813 667 HA ASN 91 HA ASN 91 8.791 0.833 8.386 668 1HB ASN 91 2HB ASN 91 11.060 -0.331 8.891 669 2HB ASN 91 1HB ASN 91 11.684 1.289 9.088 670 1HD2 ASN 91 1HD2 ASN 91 11.465 -0.964 10.899 671 2HD2 ASN 91 2HD2 ASN 91 10.570 -0.433 12.254 672 H ASP 92 H ASP 92 11.489 2.728 7.078 673 HA ASP 92 HA ASP 92 10.701 5.230 8.152 674 1HB ASP 92 2HB ASP 92 13.002 4.870 7.381 675 2HB ASP 92 1HB ASP 92 12.427 4.590 5.744 676 H TRP 93 H TRP 93 10.144 3.618 5.050 677 HA TRP 93 HA TRP 93 8.643 5.595 3.769 678 1HB TRP 93 2HB TRP 93 8.764 2.648 3.572 679 2HB TRP 93 1HB TRP 93 7.556 3.477 2.640 680 HD1 TRP 93 HD TRP 93 11.036 2.250 2.432 681 HE1 TRP 93 1HE TRP 93 12.250 3.184 0.377 682 HE3 TRP 93 3HE TRP 93 7.775 5.996 1.221 683 HZ2 TRP 93 2HZ TRP 93 11.885 5.261 -1.510 684 HZ3 TRP 93 3HZ TRP 93 8.285 7.415 -0.730 685 HH2 TRP 93 HH TRP 93 10.292 7.053 -2.061 686 H GLU 94 H GLU 94 7.457 2.976 5.865 687 HA GLU 94 HA GLU 94 4.721 3.418 5.745 688 1HB GLU 94 2HB GLU 94 6.306 2.898 8.270 689 2HB GLU 94 1HB GLU 94 4.589 2.631 8.067 690 1HG GLU 94 2HG GLU 94 5.039 0.898 6.468 691 2HG GLU 94 1HG GLU 94 6.780 1.124 6.632 692 H THR 95 H THR 95 7.043 4.809 7.806 693 HA THR 95 HA THR 95 5.639 6.516 9.470 694 HB THR 95 HB THR 95 8.379 6.982 8.307 695 HG1 THR 95 1HG THR 95 8.263 4.889 9.299 696 1HG2 THR 95 1HG2 THR 95 7.534 8.923 9.563 697 2HG2 THR 95 2HG2 THR 95 8.844 8.143 10.446 698 3HG2 THR 95 3HG2 THR 95 7.172 7.887 10.944 699 H LYS 96 H LYS 96 6.561 7.019 6.127 700 HA LYS 96 HA LYS 96 6.331 9.881 6.185 701 1HB LYS 96 2HB LYS 96 6.518 7.957 3.868 702 2HB LYS 96 1HB LYS 96 6.789 9.696 3.802 703 1HG LYS 96 2HG LYS 96 8.375 7.807 5.477 704 2HG LYS 96 1HG LYS 96 8.943 8.272 3.912 705 1HD LYS 96 2HD LYS 96 8.893 10.661 4.740 706 2HD LYS 96 1HD LYS 96 8.478 10.025 6.337 707 1HE LYS 96 2HE LYS 96 10.562 8.701 6.308 708 2HE LYS 96 1HE LYS 96 10.947 9.403 4.744 709 1HZ LYS 96 1HZ LYS 96 12.122 10.540 6.512 710 2HZ LYS 96 2HZ LYS 96 10.688 10.882 7.304 711 3HZ LYS 96 3HZ LYS 96 11.017 11.607 5.819 712 H PHE 97 H PHE 97 4.578 7.135 5.027 713 HA PHE 97 HA PHE 97 2.349 8.544 4.030 714 1HB PHE 97 2HB PHE 97 2.886 5.700 4.759 715 2HB PHE 97 1HB PHE 97 1.320 6.209 4.179 716 HD1 PHE 97 1HD PHE 97 4.927 6.129 3.285 717 HD2 PHE 97 2HD PHE 97 0.922 6.323 1.874 718 HE1 PHE 97 1HE PHE 97 5.730 5.804 0.989 719 HE2 PHE 97 2HE PHE 97 1.727 6.004 -0.431 720 HZ PHE 97 HZ PHE 97 4.126 5.742 -0.872 721 H GLU 98 H GLU 98 3.094 6.840 6.965 722 HA GLU 98 HA GLU 98 0.738 6.824 8.388 723 1HB GLU 98 2HB GLU 98 3.606 6.886 9.074 724 2HB GLU 98 1HB GLU 98 2.496 6.909 10.397 725 1HG GLU 98 2HG GLU 98 2.601 4.806 8.239 726 2HG GLU 98 1HG GLU 98 3.373 4.672 9.815 727 H ALA 99 H ALA 99 2.674 9.606 7.688 728 HA ALA 99 HA ALA 99 1.290 11.027 9.847 729 1HB ALA 99 1HB ALA 99 3.881 11.753 8.528 730 2HB ALA 99 2HB ALA 99 3.710 10.974 10.104 731 3HB ALA 99 3HB ALA 99 3.100 12.613 9.852 732 H LYS 100 H LYS 100 1.293 10.664 6.497 733 HA LYS 100 HA LYS 100 0.290 13.409 6.188 734 1HB LYS 100 2HB LYS 100 1.997 11.825 4.295 735 2HB LYS 100 1HB LYS 100 1.001 13.140 3.729 736 1HG LYS 100 2HG LYS 100 3.236 13.935 3.991 737 2HG LYS 100 1HG LYS 100 2.250 14.663 5.247 738 1HD LYS 100 2HD LYS 100 3.134 13.074 6.868 739 2HD LYS 100 1HD LYS 100 4.083 12.290 5.601 740 1HE LYS 100 2HE LYS 100 5.217 14.363 5.176 741 2HE LYS 100 1HE LYS 100 4.343 15.162 6.481 742 1HZ LYS 100 1HZ LYS 100 6.216 12.865 6.776 743 2HZ LYS 100 2HZ LYS 100 5.393 13.596 8.055 744 3HZ LYS 100 3HZ LYS 100 6.546 14.457 7.185 745 H TYR 101 H TYR 101 0.107 10.151 4.868 746 HA TYR 101 HA TYR 101 -2.367 10.847 3.539 747 1HB TYR 101 2HB TYR 101 -0.592 8.411 3.411 748 2HB TYR 101 1HB TYR 101 -2.081 8.616 2.506 749 HD1 TYR 101 1HD TYR 101 -2.175 10.216 0.619 750 HD2 TYR 101 2HD TYR 101 1.428 9.607 2.784 751 HE1 TYR 101 1HE TYR 101 -0.909 11.337 -1.177 752 HE2 TYR 101 2HE TYR 101 2.704 10.718 1.004 753 HH TYR 101 HH TYR 101 1.214 12.499 -1.500 754 HA PRO 102 HA PRO 102 -4.696 9.073 6.791 755 1HB PRO 102 2HB PRO 102 -7.066 8.838 5.627 756 2HB PRO 102 1HB PRO 102 -6.349 10.436 5.889 757 1HG PRO 102 2HG PRO 102 -6.333 8.741 3.426 758 2HG PRO 102 1HG PRO 102 -6.785 10.447 3.580 759 1HD PRO 102 2HD PRO 102 -4.317 9.689 2.748 760 2HD PRO 102 1HD PRO 102 -4.566 11.134 3.755 761 H VAL 103 H VAL 103 -4.812 7.120 7.556 762 HA VAL 103 HA VAL 103 -4.819 4.775 5.860 763 HB VAL 103 HB VAL 103 -5.060 4.939 8.901 764 1HG1 VAL 103 1HG1 VAL 103 -6.047 2.870 8.023 765 2HG1 VAL 103 2HG1 VAL 103 -4.542 2.532 8.882 766 3HG1 VAL 103 3HG1 VAL 103 -4.567 2.547 7.121 767 1HG2 VAL 103 1HG2 VAL 103 -2.719 4.208 7.162 768 2HG2 VAL 103 2HG2 VAL 103 -2.745 4.171 8.918 769 3HG2 VAL 103 3HG2 VAL 103 -2.902 5.713 8.059 770 H VAL 104 H VAL 104 -6.589 4.416 4.871 771 HA VAL 104 HA VAL 104 -9.123 5.088 6.139 772 HB VAL 104 HB VAL 104 -10.177 4.597 3.928 773 1HG1 VAL 104 1HG1 VAL 104 -7.865 6.546 3.895 774 2HG1 VAL 104 2HG1 VAL 104 -9.477 6.868 4.534 775 3HG1 VAL 104 3HG1 VAL 104 -9.255 6.587 2.807 776 1HG2 VAL 104 1HG2 VAL 104 -8.743 4.299 1.987 777 2HG2 VAL 104 2HG2 VAL 104 -8.495 2.974 3.132 778 3HG2 VAL 104 3HG2 VAL 104 -7.325 4.295 3.026 779 H GLY 105 H GLY 105 -7.233 2.366 5.882 780 1HA GLY 105 2HA GLY 105 -8.897 0.760 7.336 781 2HA GLY 105 1HA GLY 105 -9.290 0.423 5.653 782 H ARG 106 H ARG 106 -8.502 -1.665 5.704 783 HA ARG 106 HA ARG 106 -5.569 -1.814 5.814 784 1HB ARG 106 2HB ARG 106 -5.487 -3.643 7.329 785 2HB ARG 106 1HB ARG 106 -7.011 -2.911 7.811 786 1HG ARG 106 2HG ARG 106 -7.029 -4.974 5.754 787 2HG ARG 106 1HG ARG 106 -7.046 -5.477 7.410 788 1HD ARG 106 2HD ARG 106 -8.875 -3.648 6.040 789 2HD ARG 106 1HD ARG 106 -9.078 -5.379 6.440 790 HE ARG 106 HE ARG 106 -8.613 -3.301 8.536 791 1HH1 ARG 106 1HH1 ARG 106 -10.849 -5.932 7.509 792 2HH1 ARG 106 2HH1 ARG 106 -11.824 -5.684 8.859 793 1HH2 ARG 106 1HH2 ARG 106 -9.984 -3.102 10.332 794 2HH2 ARG 106 2HH2 ARG 106 -11.357 -4.092 10.492 795 H VAL 107 H VAL 107 -4.770 -3.624 4.671 796 HA VAL 107 HA VAL 107 -6.693 -4.654 2.770 797 HB VAL 107 HB VAL 107 -4.651 -3.596 1.776 798 1HG1 VAL 107 1HG1 VAL 107 -3.188 -4.044 3.449 799 2HG1 VAL 107 2HG1 VAL 107 -2.537 -4.880 1.985 800 3HG1 VAL 107 3HG1 VAL 107 -3.406 -5.774 3.284 801 1HG2 VAL 107 1HG2 VAL 107 -4.913 -6.534 1.446 802 2HG2 VAL 107 2HG2 VAL 107 -4.193 -5.438 0.227 803 3HG2 VAL 107 3HG2 VAL 107 -5.927 -5.333 0.678 804 H VAL 108 H VAL 108 -7.026 -6.739 2.687 805 HA VAL 108 HA VAL 108 -5.802 -8.405 4.730 806 HB VAL 108 HB VAL 108 -8.043 -9.631 4.794 807 1HG1 VAL 108 1HG1 VAL 108 -7.336 -7.823 6.370 808 2HG1 VAL 108 2HG1 VAL 108 -9.122 -7.798 6.036 809 3HG1 VAL 108 3HG1 VAL 108 -8.036 -6.711 5.183 810 1HG2 VAL 108 1HG2 VAL 108 -8.856 -8.765 2.596 811 2HG2 VAL 108 2HG2 VAL 108 -8.853 -7.165 3.426 812 3HG2 VAL 108 3HG2 VAL 108 -9.939 -8.411 3.982 813 H SER 109 H SER 109 -5.381 -10.529 4.190 814 HA SER 109 HA SER 109 -5.597 -11.219 1.418 815 1HB SER 109 2HB SER 109 -3.590 -9.866 1.548 816 2HB SER 109 1HB SER 109 -3.008 -10.812 2.911 817 HG SER 109 HG SER 109 -2.433 -12.398 1.549
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