NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
9344 | 1nso | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TRP 1 1HT TRP 1 7.666 -18.762 6.333 2 2H TRP 1 2HT TRP 1 8.758 -19.793 5.504 3 3H TRP 1 3HT TRP 1 7.073 -19.900 5.197 4 HA TRP 1 HA TRP 1 8.722 -17.522 4.669 5 1HB TRP 1 2HB TRP 1 7.786 -19.736 2.827 6 2HB TRP 1 1HB TRP 1 8.554 -18.243 2.297 7 HD1 TRP 1 HD TRP 1 9.332 -21.668 3.666 8 HE1 TRP 1 1HE TRP 1 11.882 -21.984 3.787 9 HE3 TRP 1 3HE TRP 1 10.791 -16.860 2.727 10 HZ2 TRP 1 2HZ TRP 1 14.207 -20.405 3.518 11 HZ3 TRP 1 3HZ TRP 1 13.196 -16.345 2.677 12 HH2 TRP 1 HH TRP 1 14.867 -18.082 3.065 13 H VAL 2 H VAL 2 5.829 -19.310 3.583 14 HA VAL 2 HA VAL 2 4.393 -16.738 3.469 15 HB VAL 2 HB VAL 2 4.651 -17.753 1.268 16 1HG1 VAL 2 1HG1 VAL 2 2.973 -19.956 1.252 17 2HG1 VAL 2 2HG1 VAL 2 3.948 -20.165 2.706 18 3HG1 VAL 2 3HG1 VAL 2 4.733 -19.973 1.139 19 1HG2 VAL 2 1HG2 VAL 2 1.804 -18.010 2.225 20 2HG2 VAL 2 2HG2 VAL 2 2.341 -17.715 0.574 21 3HG2 VAL 2 3HG2 VAL 2 2.597 -16.488 1.811 22 H GLN 3 H GLN 3 2.107 -16.780 3.984 23 HA GLN 3 HA GLN 3 1.430 -18.936 5.875 24 1HB GLN 3 2HB GLN 3 0.958 -15.976 6.000 25 2HB GLN 3 1HB GLN 3 -0.084 -17.081 6.879 26 1HG GLN 3 2HG GLN 3 2.196 -18.027 7.764 27 2HG GLN 3 1HG GLN 3 2.781 -16.425 7.315 28 1HE2 GLN 3 1HE2 GLN 3 1.475 -18.224 9.753 29 2HE2 GLN 3 2HE2 GLN 3 0.865 -16.952 10.750 30 HA PRO 4 HA PRO 4 -2.066 -19.670 3.251 31 1HB PRO 4 2HB PRO 4 -3.548 -21.205 4.901 32 2HB PRO 4 1HB PRO 4 -2.053 -21.790 4.163 33 1HG PRO 4 2HG PRO 4 -2.514 -20.732 6.925 34 2HG PRO 4 1HG PRO 4 -1.561 -22.136 6.409 35 1HD PRO 4 2HD PRO 4 -0.457 -19.719 7.018 36 2HD PRO 4 1HD PRO 4 0.259 -20.849 5.852 37 H ILE 5 H ILE 5 -3.653 -18.295 2.775 38 HA ILE 5 HA ILE 5 -4.707 -16.453 4.669 39 HB ILE 5 HB ILE 5 -4.490 -15.894 2.285 40 1HG1 ILE 5 2HG1 ILE 5 -7.287 -15.481 2.248 41 2HG1 ILE 5 1HG1 ILE 5 -6.802 -15.450 3.941 42 1HG2 ILE 5 1HG2 ILE 5 -6.847 -17.687 1.767 43 2HG2 ILE 5 2HG2 ILE 5 -5.178 -18.194 1.504 44 3HG2 ILE 5 3HG2 ILE 5 -5.842 -16.837 0.594 45 1HD1 ILE 5 1HD1 ILE 5 -6.737 -13.322 2.283 46 2HD1 ILE 5 2HD1 ILE 5 -5.080 -13.909 2.140 47 3HD1 ILE 5 3HD1 ILE 5 -5.735 -13.496 3.724 48 H THR 6 H THR 6 -6.212 -16.854 6.141 49 HA THR 6 HA THR 6 -8.084 -19.070 5.699 50 HB THR 6 HB THR 6 -7.677 -17.619 8.304 51 HG1 THR 6 1HG THR 6 -6.103 -19.165 8.793 52 1HG2 THR 6 1HG2 THR 6 -8.171 -20.529 8.107 53 2HG2 THR 6 2HG2 THR 6 -9.517 -19.438 7.771 54 3HG2 THR 6 3HG2 THR 6 -8.689 -19.366 9.326 55 H ALA 7 H ALA 7 -9.915 -18.425 4.770 56 HA ALA 7 HA ALA 7 -11.861 -17.314 4.376 57 1HB ALA 7 1HB ALA 7 -11.705 -17.533 7.072 58 2HB ALA 7 2HB ALA 7 -13.083 -16.855 6.205 59 3HB ALA 7 3HB ALA 7 -11.856 -15.786 6.885 60 H GLN 8 H GLN 8 -12.717 -15.265 3.750 61 HA GLN 8 HA GLN 8 -10.750 -13.458 2.812 62 1HB GLN 8 2HB GLN 8 -13.761 -13.314 2.924 63 2HB GLN 8 1HB GLN 8 -12.779 -12.033 2.224 64 1HG GLN 8 2HG GLN 8 -13.207 -13.202 0.341 65 2HG GLN 8 1HG GLN 8 -11.770 -14.076 0.867 66 1HE2 GLN 8 1HE2 GLN 8 -14.171 -14.858 -0.736 67 2HE2 GLN 8 2HE2 GLN 8 -14.767 -16.285 0.035 68 H LYS 9 H LYS 9 -9.589 -12.675 4.569 69 HA LYS 9 HA LYS 9 -10.932 -10.538 6.037 70 1HB LYS 9 2HB LYS 9 -9.662 -12.949 7.247 71 2HB LYS 9 1HB LYS 9 -9.456 -11.407 8.065 72 1HG LYS 9 2HG LYS 9 -12.071 -11.281 7.741 73 2HG LYS 9 1HG LYS 9 -11.905 -13.037 7.672 74 1HD LYS 9 2HD LYS 9 -10.765 -11.336 9.884 75 2HD LYS 9 1HD LYS 9 -12.356 -12.094 9.957 76 1HE LYS 9 2HE LYS 9 -10.858 -14.217 9.260 77 2HE LYS 9 1HE LYS 9 -9.667 -13.291 10.174 78 1HZ LYS 9 1HZ LYS 9 -11.228 -14.978 11.365 79 2HZ LYS 9 2HZ LYS 9 -12.337 -13.703 11.324 80 3HZ LYS 9 3HZ LYS 9 -10.850 -13.504 12.104 81 HA PRO 10 HA PRO 10 -7.204 -8.303 5.344 82 1HB PRO 10 2HB PRO 10 -6.944 -6.805 7.582 83 2HB PRO 10 1HB PRO 10 -8.209 -6.513 6.383 84 1HG PRO 10 2HG PRO 10 -8.374 -7.971 8.993 85 2HG PRO 10 1HG PRO 10 -9.506 -6.800 8.293 86 1HD PRO 10 2HD PRO 10 -9.915 -9.477 8.184 87 2HD PRO 10 1HD PRO 10 -10.476 -8.371 6.916 88 H SER 11 H SER 11 -6.369 -10.773 5.868 89 HA SER 11 HA SER 11 -3.965 -10.328 7.412 90 1HB SER 11 2HB SER 11 -6.190 -11.748 8.545 91 2HB SER 11 1HB SER 11 -4.831 -12.852 8.327 92 HG SER 11 HG SER 11 -4.573 -10.310 9.548 93 H LEU 12 H LEU 12 -2.344 -11.099 6.285 94 HA LEU 12 HA LEU 12 -2.203 -13.717 5.251 95 1HB LEU 12 2HB LEU 12 -2.290 -13.394 2.907 96 2HB LEU 12 1HB LEU 12 -3.746 -12.670 3.559 97 HG LEU 12 HG LEU 12 -2.888 -11.243 1.829 98 1HD1 LEU 12 1HD1 LEU 12 -1.939 -9.668 4.101 99 2HD1 LEU 12 2HD1 LEU 12 -3.537 -10.384 4.302 100 3HD1 LEU 12 3HD1 LEU 12 -3.212 -9.324 2.935 101 1HD2 LEU 12 1HD2 LEU 12 -0.449 -12.171 2.433 102 2HD2 LEU 12 2HD2 LEU 12 -0.379 -10.583 3.193 103 3HD2 LEU 12 3HD2 LEU 12 -0.745 -10.720 1.475 104 H THR 13 H THR 13 -0.097 -14.170 4.307 105 HA THR 13 HA THR 13 1.821 -11.983 4.795 106 HB THR 13 HB THR 13 2.340 -14.924 5.237 107 HG1 THR 13 1HG THR 13 0.871 -14.111 6.775 108 1HG2 THR 13 1HG2 THR 13 4.374 -13.714 4.797 109 2HG2 THR 13 2HG2 THR 13 4.285 -14.140 6.506 110 3HG2 THR 13 3HG2 THR 13 3.938 -12.490 5.990 111 H LEU 14 H LEU 14 2.670 -11.316 2.983 112 HA LEU 14 HA LEU 14 3.715 -13.249 1.047 113 1HB LEU 14 2HB LEU 14 2.335 -10.726 0.157 114 2HB LEU 14 1HB LEU 14 2.958 -12.003 -0.850 115 HG LEU 14 HG LEU 14 0.442 -11.933 0.764 116 1HD1 LEU 14 1HD1 LEU 14 1.143 -12.434 -2.102 117 2HD1 LEU 14 2HD1 LEU 14 0.111 -11.177 -1.424 118 3HD1 LEU 14 3HD1 LEU 14 -0.434 -12.852 -1.435 119 1HD2 LEU 14 1HD2 LEU 14 2.117 -14.245 0.398 120 2HD2 LEU 14 2HD2 LEU 14 0.541 -14.454 -0.361 121 3HD2 LEU 14 3HD2 LEU 14 0.646 -14.046 1.352 122 H TRP 15 H TRP 15 5.193 -11.943 -0.565 123 HA TRP 15 HA TRP 15 6.804 -10.242 1.163 124 1HB TRP 15 2HB TRP 15 8.653 -10.985 0.117 125 2HB TRP 15 1HB TRP 15 7.598 -12.318 -0.286 126 HD1 TRP 15 HD TRP 15 6.228 -10.334 -2.779 127 HE1 TRP 15 1HE TRP 15 7.598 -10.324 -4.956 128 HE3 TRP 15 3HE TRP 15 10.708 -12.050 -0.990 129 HZ2 TRP 15 2HZ TRP 15 10.189 -10.948 -5.820 130 HZ3 TRP 15 3HZ TRP 15 12.570 -12.317 -2.567 131 HH2 TRP 15 HH TRP 15 12.318 -11.782 -4.929 132 H LEU 16 H LEU 16 7.544 -8.261 0.637 133 HA LEU 16 HA LEU 16 6.322 -6.958 -1.688 134 1HB LEU 16 2HB LEU 16 5.722 -5.015 -0.343 135 2HB LEU 16 1HB LEU 16 4.908 -6.460 0.225 136 HG LEU 16 HG LEU 16 7.140 -6.433 1.808 137 1HD1 LEU 16 1HD1 LEU 16 6.234 -3.579 1.751 138 2HD1 LEU 16 2HD1 LEU 16 7.594 -4.134 0.775 139 3HD1 LEU 16 3HD1 LEU 16 7.652 -4.281 2.531 140 1HD2 LEU 16 1HD2 LEU 16 5.650 -5.751 3.579 141 2HD2 LEU 16 2HD2 LEU 16 4.791 -6.817 2.468 142 3HD2 LEU 16 3HD2 LEU 16 4.516 -5.076 2.409 143 H ASP 17 H ASP 17 7.536 -5.386 -2.658 144 HA ASP 17 HA ASP 17 9.365 -4.172 -3.238 145 1HB ASP 17 2HB ASP 17 9.794 -4.293 -0.257 146 2HB ASP 17 1HB ASP 17 10.959 -3.516 -1.323 147 H ASP 18 H ASP 18 10.611 -6.338 -0.689 148 HA ASP 18 HA ASP 18 11.835 -8.143 -2.474 149 1HB ASP 18 2HB ASP 18 13.370 -5.738 -1.781 150 2HB ASP 18 1HB ASP 18 14.229 -7.243 -1.465 151 H LYS 19 H LYS 19 10.288 -8.195 -0.054 152 HA LYS 19 HA LYS 19 11.708 -10.187 1.357 153 1HB LYS 19 2HB LYS 19 12.407 -7.668 2.170 154 2HB LYS 19 1HB LYS 19 11.121 -8.076 3.302 155 1HG LYS 19 2HG LYS 19 12.284 -10.146 3.865 156 2HG LYS 19 1HG LYS 19 13.580 -9.704 2.750 157 1HD LYS 19 2HD LYS 19 14.086 -7.732 4.075 158 2HD LYS 19 1HD LYS 19 12.738 -8.088 5.156 159 1HE LYS 19 2HE LYS 19 14.284 -10.421 5.081 160 2HE LYS 19 1HE LYS 19 15.436 -9.093 5.197 161 1HZ LYS 19 1HZ LYS 19 13.596 -8.373 7.005 162 2HZ LYS 19 2HZ LYS 19 14.995 -9.250 7.374 163 3HZ LYS 19 3HZ LYS 19 13.528 -10.058 7.144 164 H MET 20 H MET 20 10.417 -11.360 2.760 165 HA MET 20 HA MET 20 7.634 -11.227 2.289 166 1HB MET 20 2HB MET 20 9.477 -13.029 3.549 167 2HB MET 20 1HB MET 20 8.074 -12.801 4.581 168 1HG MET 20 2HG MET 20 7.112 -14.382 3.355 169 2HG MET 20 1HG MET 20 6.937 -13.141 2.118 170 1HE MET 20 1HE MET 20 6.829 -14.024 0.252 171 2HE MET 20 2HE MET 20 7.483 -15.587 -0.243 172 3HE MET 20 3HE MET 20 8.322 -14.099 -0.689 173 H PHE 21 H PHE 21 5.934 -10.794 3.709 174 HA PHE 21 HA PHE 21 6.286 -9.778 6.336 175 1HB PHE 21 2HB PHE 21 7.074 -7.879 4.734 176 2HB PHE 21 1HB PHE 21 5.358 -7.673 4.399 177 HD1 PHE 21 1HD PHE 21 4.215 -6.133 5.648 178 HD2 PHE 21 2HD PHE 21 7.640 -8.013 7.334 179 HE1 PHE 21 1HE PHE 21 3.988 -4.735 7.660 180 HE2 PHE 21 2HE PHE 21 7.419 -6.618 9.349 181 HZ PHE 21 HZ PHE 21 5.590 -4.978 9.514 182 H THR 22 H THR 22 4.121 -8.656 7.050 183 HA THR 22 HA THR 22 1.973 -10.365 6.031 184 HB THR 22 HB THR 22 1.674 -8.628 8.449 185 HG1 THR 22 1HG THR 22 2.647 -10.315 9.670 186 1HG2 THR 22 1HG2 THR 22 0.525 -11.185 7.472 187 2HG2 THR 22 2HG2 THR 22 -0.270 -9.793 8.208 188 3HG2 THR 22 3HG2 THR 22 0.650 -10.917 9.210 189 H GLY 23 H GLY 23 -0.272 -9.338 6.178 190 1HA GLY 23 2HA GLY 23 -0.577 -6.544 5.772 191 2HA GLY 23 1HA GLY 23 -0.541 -7.383 4.229 192 H LEU 24 H LEU 24 -2.785 -6.423 4.146 193 HA LEU 24 HA LEU 24 -4.657 -8.394 5.235 194 1HB LEU 24 2HB LEU 24 -6.270 -6.344 5.420 195 2HB LEU 24 1HB LEU 24 -5.171 -6.746 6.722 196 HG LEU 24 HG LEU 24 -5.311 -4.323 6.248 197 1HD1 LEU 24 1HD1 LEU 24 -3.140 -5.777 6.931 198 2HD1 LEU 24 2HD1 LEU 24 -3.188 -4.015 6.892 199 3HD1 LEU 24 3HD1 LEU 24 -2.532 -4.910 5.521 200 1HD2 LEU 24 1HD2 LEU 24 -5.566 -4.659 3.755 201 2HD2 LEU 24 2HD2 LEU 24 -3.822 -4.903 3.704 202 3HD2 LEU 24 3HD2 LEU 24 -4.480 -3.367 4.261 203 H ILE 25 H ILE 25 -6.220 -9.054 3.856 204 HA ILE 25 HA ILE 25 -6.203 -7.825 1.183 205 HB ILE 25 HB ILE 25 -7.239 -10.565 1.912 206 1HG1 ILE 25 2HG1 ILE 25 -4.868 -10.538 2.360 207 2HG1 ILE 25 1HG1 ILE 25 -5.127 -11.379 0.836 208 1HG2 ILE 25 1HG2 ILE 25 -7.516 -10.955 -0.346 209 2HG2 ILE 25 2HG2 ILE 25 -6.384 -9.685 -0.812 210 3HG2 ILE 25 3HG2 ILE 25 -7.987 -9.262 -0.210 211 1HD1 ILE 25 1HD1 ILE 25 -4.624 -9.144 -0.281 212 2HD1 ILE 25 2HD1 ILE 25 -3.278 -10.009 0.458 213 3HD1 ILE 25 3HD1 ILE 25 -4.009 -8.640 1.291 214 H ASN 26 H ASN 26 -7.956 -6.866 0.401 215 HA ASN 26 HA ASN 26 -10.425 -6.996 1.978 216 1HB ASN 26 2HB ASN 26 -10.055 -5.025 -0.235 217 2HB ASN 26 1HB ASN 26 -10.943 -4.855 1.274 218 1HD2 ASN 26 1HD2 ASN 26 -10.007 -3.826 2.912 219 2HD2 ASN 26 2HD2 ASN 26 -8.353 -3.331 2.966 220 H THR 27 H THR 27 -12.311 -7.692 1.101 221 HA THR 27 HA THR 27 -12.111 -9.105 -1.426 222 HB THR 27 HB THR 27 -13.111 -10.163 0.572 223 HG1 THR 27 1HG THR 27 -13.753 -10.662 -1.669 224 1HG2 THR 27 1HG2 THR 27 -14.688 -7.781 0.651 225 2HG2 THR 27 2HG2 THR 27 -14.584 -9.096 1.822 226 3HG2 THR 27 3HG2 THR 27 -15.733 -9.192 0.488 227 H GLY 28 H GLY 28 -12.614 -6.009 -0.808 228 1HA GLY 28 2HA GLY 28 -14.214 -5.639 -3.201 229 2HA GLY 28 1HA GLY 28 -14.929 -5.024 -1.717 230 H ALA 29 H ALA 29 -11.759 -4.963 -3.346 231 HA ALA 29 HA ALA 29 -11.300 -2.263 -2.357 232 1HB ALA 29 1HB ALA 29 -9.183 -3.003 -4.035 233 2HB ALA 29 2HB ALA 29 -9.653 -4.471 -3.174 234 3HB ALA 29 3HB ALA 29 -9.218 -3.023 -2.269 235 H ASP 30 H ASP 30 -11.004 -0.472 -3.665 236 HA ASP 30 HA ASP 30 -11.825 -0.763 -6.480 237 1HB ASP 30 2HB ASP 30 -12.890 1.441 -6.327 238 2HB ASP 30 1HB ASP 30 -13.587 0.333 -5.150 239 H VAL 31 H VAL 31 -9.968 1.100 -4.136 240 HA VAL 31 HA VAL 31 -7.962 1.636 -6.193 241 HB VAL 31 HB VAL 31 -7.861 3.947 -4.678 242 1HG1 VAL 31 1HG1 VAL 31 -7.508 3.677 -7.103 243 2HG1 VAL 31 2HG1 VAL 31 -8.518 5.068 -6.706 244 3HG1 VAL 31 3HG1 VAL 31 -9.256 3.589 -7.323 245 1HG2 VAL 31 1HG2 VAL 31 -9.990 4.884 -4.451 246 2HG2 VAL 31 2HG2 VAL 31 -10.188 3.235 -3.854 247 3HG2 VAL 31 3HG2 VAL 31 -10.741 3.659 -5.474 248 H THR 32 H THR 32 -6.135 0.826 -5.459 249 HA THR 32 HA THR 32 -5.627 -0.096 -2.915 250 HB THR 32 HB THR 32 -3.476 0.894 -4.715 251 HG1 THR 32 1HG THR 32 -3.686 -1.207 -5.731 252 1HG2 THR 32 1HG2 THR 32 -3.318 -0.489 -2.371 253 2HG2 THR 32 2HG2 THR 32 -2.077 -0.434 -3.623 254 3HG2 THR 32 3HG2 THR 32 -3.235 -1.762 -3.588 255 H ILE 33 H ILE 33 -5.649 1.058 -1.088 256 HA ILE 33 HA ILE 33 -4.132 3.588 -1.048 257 HB ILE 33 HB ILE 33 -6.236 3.190 1.003 258 1HG1 ILE 33 2HG1 ILE 33 -7.346 2.569 -1.145 259 2HG1 ILE 33 1HG1 ILE 33 -8.026 4.001 -0.385 260 1HG2 ILE 33 1HG2 ILE 33 -4.887 5.128 1.181 261 2HG2 ILE 33 2HG2 ILE 33 -6.480 5.650 0.634 262 3HG2 ILE 33 3HG2 ILE 33 -5.147 5.540 -0.514 263 1HD1 ILE 33 1HD1 ILE 33 -6.678 5.393 -1.928 264 2HD1 ILE 33 2HD1 ILE 33 -7.866 4.374 -2.738 265 3HD1 ILE 33 3HD1 ILE 33 -6.164 3.917 -2.744 266 H ILE 34 H ILE 34 -2.412 3.523 0.221 267 HA ILE 34 HA ILE 34 -2.416 1.680 2.517 268 HB ILE 34 HB ILE 34 -0.743 1.408 0.416 269 1HG1 ILE 34 2HG1 ILE 34 0.872 0.384 2.224 270 2HG1 ILE 34 1HG1 ILE 34 -0.440 0.784 3.326 271 1HG2 ILE 34 1HG2 ILE 34 0.398 3.465 0.586 272 2HG2 ILE 34 2HG2 ILE 34 1.506 2.229 1.170 273 3HG2 ILE 34 3HG2 ILE 34 0.656 3.265 2.318 274 1HD1 ILE 34 1HD1 ILE 34 -1.758 -0.497 1.311 275 2HD1 ILE 34 2HD1 ILE 34 -1.214 -1.242 2.814 276 3HD1 ILE 34 3HD1 ILE 34 -0.220 -1.360 1.361 277 H LYS 35 H LYS 35 -2.159 2.640 4.428 278 HA LYS 35 HA LYS 35 -2.193 5.402 4.697 279 1HB LYS 35 2HB LYS 35 -1.729 4.972 7.112 280 2HB LYS 35 1HB LYS 35 -3.034 3.998 6.460 281 1HG LYS 35 2HG LYS 35 -0.256 2.914 6.608 282 2HG LYS 35 1HG LYS 35 -1.323 2.899 8.005 283 1HD LYS 35 2HD LYS 35 -2.973 1.867 6.153 284 2HD LYS 35 1HD LYS 35 -1.418 1.295 5.545 285 1HE LYS 35 2HE LYS 35 -1.815 0.992 8.441 286 2HE LYS 35 1HE LYS 35 -2.890 0.024 7.435 287 1HZ LYS 35 1HZ LYS 35 -0.135 -0.364 7.997 288 2HZ LYS 35 2HZ LYS 35 -0.382 -0.257 6.327 289 3HZ LYS 35 3HZ LYS 35 -1.227 -1.408 7.234 290 H LEU 36 H LEU 36 -0.655 6.789 5.800 291 HA LEU 36 HA LEU 36 1.817 6.812 4.464 292 1HB LEU 36 2HB LEU 36 0.325 8.544 6.111 293 2HB LEU 36 1HB LEU 36 1.921 8.422 6.823 294 HG LEU 36 HG LEU 36 1.120 9.490 4.145 295 1HD1 LEU 36 1HD1 LEU 36 2.666 10.477 6.508 296 2HD1 LEU 36 2HD1 LEU 36 1.276 11.203 5.706 297 3HD1 LEU 36 3HD1 LEU 36 2.855 11.227 4.922 298 1HD2 LEU 36 1HD2 LEU 36 3.842 9.583 4.069 299 2HD2 LEU 36 2HD2 LEU 36 2.842 8.412 3.209 300 3HD2 LEU 36 3HD2 LEU 36 3.546 7.991 4.768 301 H GLU 37 H GLU 37 0.862 5.517 7.535 302 HA GLU 37 HA GLU 37 3.296 5.395 8.862 303 1HB GLU 37 2HB GLU 37 0.961 3.486 8.906 304 2HB GLU 37 1HB GLU 37 2.323 3.375 10.012 305 1HG GLU 37 2HG GLU 37 1.771 5.351 11.094 306 2HG GLU 37 1HG GLU 37 0.767 5.912 9.759 307 H ASP 38 H ASP 38 2.486 3.866 5.945 308 HA ASP 38 HA ASP 38 4.697 1.944 6.300 309 1HB ASP 38 2HB ASP 38 2.003 1.509 5.441 310 2HB ASP 38 1HB ASP 38 3.084 1.162 4.095 311 H TRP 39 H TRP 39 4.671 4.783 5.326 312 HA TRP 39 HA TRP 39 5.651 4.339 2.589 313 1HB TRP 39 2HB TRP 39 4.314 6.056 2.083 314 2HB TRP 39 1HB TRP 39 3.981 6.364 3.781 315 HD1 TRP 39 HD TRP 39 5.829 7.735 0.837 316 HE1 TRP 39 1HE TRP 39 7.074 9.879 1.506 317 HE3 TRP 39 3HE TRP 39 5.304 7.429 5.912 318 HZ2 TRP 39 2HZ TRP 39 7.734 11.273 3.878 319 HZ3 TRP 39 3HZ TRP 39 6.268 9.210 7.308 320 HH2 TRP 39 HH TRP 39 7.458 11.091 6.309 321 HA PRO 40 HA PRO 40 9.854 5.220 3.599 322 1HB PRO 40 2HB PRO 40 9.903 7.175 1.375 323 2HB PRO 40 1HB PRO 40 10.899 5.741 1.635 324 1HG PRO 40 2HG PRO 40 8.964 5.798 -0.216 325 2HG PRO 40 1HG PRO 40 9.348 4.335 0.699 326 1HD PRO 40 2HD PRO 40 7.055 6.202 0.996 327 2HD PRO 40 1HD PRO 40 7.116 4.447 1.230 328 HA PRO 41 HA PRO 41 9.150 9.069 5.920 329 1HB PRO 41 2HB PRO 41 11.226 8.705 7.643 330 2HB PRO 41 1HB PRO 41 9.644 7.949 7.855 331 1HG PRO 41 2HG PRO 41 12.157 6.794 6.712 332 2HG PRO 41 1HG PRO 41 10.993 6.056 7.827 333 1HD PRO 41 2HD PRO 41 11.013 5.497 5.185 334 2HD PRO 41 1HD PRO 41 9.513 5.531 6.136 335 H ASN 42 H ASN 42 11.731 8.031 3.974 336 HA ASN 42 HA ASN 42 13.650 10.019 4.389 337 1HB ASN 42 2HB ASN 42 13.695 7.841 2.936 338 2HB ASN 42 1HB ASN 42 13.117 8.907 1.661 339 1HD2 ASN 42 1HD2 ASN 42 15.668 8.585 4.084 340 2HD2 ASN 42 2HD2 ASN 42 16.900 9.352 3.148 341 H TRP 43 H TRP 43 10.781 9.972 2.304 342 HA TRP 43 HA TRP 43 11.055 12.885 2.017 343 1HB TRP 43 2HB TRP 43 10.606 12.824 -0.340 344 2HB TRP 43 1HB TRP 43 11.940 11.717 -0.027 345 HD1 TRP 43 HD TRP 43 8.103 11.561 -0.567 346 HE1 TRP 43 1HE TRP 43 7.554 9.334 -1.732 347 HE3 TRP 43 3HE TRP 43 12.785 9.504 -0.658 348 HZ2 TRP 43 2HZ TRP 43 8.910 7.024 -2.579 349 HZ3 TRP 43 3HZ TRP 43 13.068 7.276 -1.667 350 HH2 TRP 43 HH TRP 43 11.165 6.068 -2.607 351 HA PRO 44 HA PRO 44 6.743 12.802 3.120 352 1HB PRO 44 2HB PRO 44 6.034 15.287 2.285 353 2HB PRO 44 1HB PRO 44 6.991 15.004 3.744 354 1HG PRO 44 2HG PRO 44 7.904 15.802 1.005 355 2HG PRO 44 1HG PRO 44 8.419 16.429 2.581 356 1HD PRO 44 2HD PRO 44 9.877 14.622 1.196 357 2HD PRO 44 1HD PRO 44 9.832 14.648 2.971 358 H ILE 45 H ILE 45 4.674 12.587 2.154 359 HA ILE 45 HA ILE 45 4.663 12.654 -0.790 360 HB ILE 45 HB ILE 45 3.112 10.702 -0.642 361 1HG1 ILE 45 2HG1 ILE 45 3.676 9.194 1.363 362 2HG1 ILE 45 1HG1 ILE 45 4.341 10.631 2.123 363 1HG2 ILE 45 1HG2 ILE 45 6.058 10.639 -0.158 364 2HG2 ILE 45 2HG2 ILE 45 5.161 10.273 -1.631 365 3HG2 ILE 45 3HG2 ILE 45 5.160 9.128 -0.291 366 1HD1 ILE 45 1HD1 ILE 45 1.779 9.760 2.368 367 2HD1 ILE 45 2HD1 ILE 45 1.627 10.983 1.111 368 3HD1 ILE 45 3HD1 ILE 45 2.328 11.407 2.674 369 H THR 46 H THR 46 2.991 13.541 -1.736 370 HA THR 46 HA THR 46 0.505 13.984 -0.244 371 HB THR 46 HB THR 46 2.137 15.797 0.041 372 HG1 THR 46 1HG THR 46 -0.091 16.835 -1.314 373 1HG2 THR 46 1HG2 THR 46 1.489 17.019 -2.532 374 2HG2 THR 46 2HG2 THR 46 2.603 15.650 -2.605 375 3HG2 THR 46 3HG2 THR 46 2.986 17.049 -1.599 376 H ASP 47 H ASP 47 -1.421 13.919 -1.479 377 HA ASP 47 HA ASP 47 -1.058 14.405 -4.367 378 1HB ASP 47 2HB ASP 47 -1.333 11.871 -3.587 379 2HB ASP 47 1HB ASP 47 -3.028 12.287 -3.800 380 H THR 48 H THR 48 -3.421 14.255 -5.480 381 HA THR 48 HA THR 48 -5.120 16.093 -3.924 382 HB THR 48 HB THR 48 -4.138 17.260 -5.794 383 HG1 THR 48 1HG THR 48 -6.460 17.487 -5.328 384 1HG2 THR 48 1HG2 THR 48 -3.568 16.198 -7.644 385 2HG2 THR 48 2HG2 THR 48 -5.279 16.125 -8.069 386 3HG2 THR 48 3HG2 THR 48 -4.530 14.789 -7.195 387 H LEU 49 H LEU 49 -6.890 15.069 -3.223 388 HA LEU 49 HA LEU 49 -8.157 13.132 -5.057 389 1HB LEU 49 2HB LEU 49 -7.112 12.175 -3.005 390 2HB LEU 49 1HB LEU 49 -8.222 13.115 -2.047 391 HG LEU 49 HG LEU 49 -10.106 11.846 -2.872 392 1HD1 LEU 49 1HD1 LEU 49 -9.195 9.735 -4.315 393 2HD1 LEU 49 2HD1 LEU 49 -8.165 11.035 -4.916 394 3HD1 LEU 49 3HD1 LEU 49 -9.919 11.184 -5.011 395 1HD2 LEU 49 1HD2 LEU 49 -9.178 9.459 -2.280 396 2HD2 LEU 49 2HD2 LEU 49 -9.309 10.714 -1.049 397 3HD2 LEU 49 3HD2 LEU 49 -7.750 10.377 -1.800 398 H THR 50 H THR 50 -10.613 12.832 -4.297 399 HA THR 50 HA THR 50 -11.718 15.552 -4.126 400 HB THR 50 HB THR 50 -12.132 14.483 -6.275 401 HG1 THR 50 1HG THR 50 -14.196 15.055 -6.339 402 1HG2 THR 50 1HG2 THR 50 -13.560 12.350 -4.708 403 2HG2 THR 50 2HG2 THR 50 -12.097 12.148 -5.672 404 3HG2 THR 50 3HG2 THR 50 -13.622 12.552 -6.459 405 H ASN 51 H ASN 51 -13.207 16.060 -2.670 406 HA ASN 51 HA ASN 51 -14.441 13.960 -1.039 407 1HB ASN 51 2HB ASN 51 -12.463 15.228 0.096 408 2HB ASN 51 1HB ASN 51 -13.582 16.585 0.165 409 1HD2 ASN 51 1HD2 ASN 51 -13.959 13.092 0.667 410 2HD2 ASN 51 2HD2 ASN 51 -14.658 13.225 2.242 411 H LEU 52 H LEU 52 -16.223 14.324 -2.502 412 HA LEU 52 HA LEU 52 -17.406 16.959 -2.489 413 1HB LEU 52 2HB LEU 52 -17.574 14.591 -4.139 414 2HB LEU 52 1HB LEU 52 -19.163 15.198 -3.744 415 HG LEU 52 HG LEU 52 -18.884 16.429 -5.608 416 1HD1 LEU 52 1HD1 LEU 52 -18.738 18.020 -3.663 417 2HD1 LEU 52 2HD1 LEU 52 -18.190 18.618 -5.228 418 3HD1 LEU 52 3HD1 LEU 52 -17.010 18.127 -4.009 419 1HD2 LEU 52 1HD2 LEU 52 -16.337 17.186 -6.110 420 2HD2 LEU 52 2HD2 LEU 52 -17.070 15.696 -6.709 421 3HD2 LEU 52 3HD2 LEU 52 -16.071 15.666 -5.256 422 H ARG 53 H ARG 53 -18.751 17.630 -1.019 423 HA ARG 53 HA ARG 53 -20.135 15.728 0.680 424 1HB ARG 53 2HB ARG 53 -19.737 18.694 0.795 425 2HB ARG 53 1HB ARG 53 -20.923 17.905 1.816 426 1HG ARG 53 2HG ARG 53 -18.135 16.868 1.791 427 2HG ARG 53 1HG ARG 53 -18.481 18.366 2.657 428 1HD ARG 53 2HD ARG 53 -18.828 16.822 4.317 429 2HD ARG 53 1HD ARG 53 -20.456 16.968 3.658 430 HE ARG 53 HE ARG 53 -18.862 14.880 2.465 431 1HH1 ARG 53 1HH1 ARG 53 -21.092 15.706 5.023 432 2HH1 ARG 53 2HH1 ARG 53 -21.630 14.076 5.250 433 1HH2 ARG 53 1HH2 ARG 53 -19.570 12.736 2.763 434 2HH2 ARG 53 2HH2 ARG 53 -20.766 12.390 3.968 435 H GLY 54 H GLY 54 -20.780 16.562 -2.269 436 1HA GLY 54 2HA GLY 54 -22.743 16.484 -3.501 437 2HA GLY 54 1HA GLY 54 -23.630 16.300 -1.997 438 H ILE 55 H ILE 55 -23.250 18.358 -0.600 439 HA ILE 55 HA ILE 55 -24.074 20.656 -2.218 440 HB ILE 55 HB ILE 55 -24.976 21.531 -0.001 441 1HG1 ILE 55 2HG1 ILE 55 -24.439 18.655 0.748 442 2HG1 ILE 55 1HG1 ILE 55 -23.836 20.096 1.548 443 1HG2 ILE 55 1HG2 ILE 55 -26.457 20.744 -1.729 444 2HG2 ILE 55 2HG2 ILE 55 -27.045 20.181 -0.166 445 3HG2 ILE 55 3HG2 ILE 55 -26.197 19.070 -1.242 446 1HD1 ILE 55 1HD1 ILE 55 -26.478 18.783 1.712 447 2HD1 ILE 55 2HD1 ILE 55 -26.421 20.538 1.873 448 3HD1 ILE 55 3HD1 ILE 55 -25.496 19.519 2.977 449 H GLY 56 H GLY 56 -21.697 19.306 -0.234 450 1HA GLY 56 2HA GLY 56 -20.440 21.952 0.173 451 2HA GLY 56 1HA GLY 56 -20.163 20.560 1.209 452 H GLN 57 H GLN 57 -19.947 21.388 -2.250 453 HA GLN 57 HA GLN 57 -18.222 19.535 -3.148 454 1HB GLN 57 2HB GLN 57 -19.179 21.214 -4.603 455 2HB GLN 57 1HB GLN 57 -18.222 22.470 -3.831 456 1HG GLN 57 2HG GLN 57 -16.225 21.681 -4.776 457 2HG GLN 57 1HG GLN 57 -16.957 20.147 -5.243 458 1HE2 GLN 57 1HE2 GLN 57 -17.443 23.625 -5.758 459 2HE2 GLN 57 2HE2 GLN 57 -17.787 23.500 -7.446 460 H SER 58 H SER 58 -16.675 18.816 -1.715 461 HA SER 58 HA SER 58 -14.513 20.719 -1.098 462 1HB SER 58 2HB SER 58 -15.992 19.183 0.673 463 2HB SER 58 1HB SER 58 -14.496 18.271 0.488 464 HG SER 58 HG SER 58 -14.924 20.801 1.571 465 H ASN 59 H ASN 59 -12.397 19.419 -0.621 466 HA ASN 59 HA ASN 59 -11.977 17.458 -2.778 467 1HB ASN 59 2HB ASN 59 -10.195 19.737 -1.916 468 2HB ASN 59 1HB ASN 59 -9.648 18.420 -2.952 469 1HD2 ASN 59 1HD2 ASN 59 -10.470 21.475 -3.101 470 2HD2 ASN 59 2HD2 ASN 59 -11.255 21.548 -4.638 471 H ASN 60 H ASN 60 -10.788 15.638 -2.266 472 HA ASN 60 HA ASN 60 -10.388 15.118 0.523 473 1HB ASN 60 2HB ASN 60 -10.413 13.533 -1.927 474 2HB ASN 60 1HB ASN 60 -9.179 13.017 -0.785 475 1HD2 ASN 60 1HD2 ASN 60 -9.757 11.715 0.793 476 2HD2 ASN 60 2HD2 ASN 60 -11.379 11.393 1.292 477 HA PRO 61 HA PRO 61 -6.205 16.261 1.084 478 1HB PRO 61 2HB PRO 61 -5.389 14.459 2.921 479 2HB PRO 61 1HB PRO 61 -6.559 15.734 3.285 480 1HG PRO 61 2HG PRO 61 -7.055 12.857 2.591 481 2HG PRO 61 1HG PRO 61 -7.767 13.827 3.896 482 1HD PRO 61 2HD PRO 61 -9.072 13.376 1.571 483 2HD PRO 61 1HD PRO 61 -9.230 14.906 2.466 484 H LYS 62 H LYS 62 -4.363 16.034 0.072 485 HA LYS 62 HA LYS 62 -3.666 14.391 -1.839 486 1HB LYS 62 2HB LYS 62 -1.301 15.094 -0.310 487 2HB LYS 62 1HB LYS 62 -1.842 15.778 -1.831 488 1HG LYS 62 2HG LYS 62 -1.625 17.561 -0.330 489 2HG LYS 62 1HG LYS 62 -3.355 17.273 -0.495 490 1HD LYS 62 2HD LYS 62 -2.813 15.678 1.609 491 2HD LYS 62 1HD LYS 62 -1.572 16.910 1.837 492 1HE LYS 62 2HE LYS 62 -3.150 18.622 2.060 493 2HE LYS 62 1HE LYS 62 -4.433 17.656 1.334 494 1HZ LYS 62 1HZ LYS 62 -4.989 17.482 3.517 495 2HZ LYS 62 2HZ LYS 62 -3.397 17.618 4.070 496 3HZ LYS 62 3HZ LYS 62 -3.944 16.155 3.419 497 H GLN 63 H GLN 63 -3.200 12.312 -2.049 498 HA GLN 63 HA GLN 63 -2.063 10.875 0.255 499 1HB GLN 63 2HB GLN 63 -4.381 10.313 -1.327 500 2HB GLN 63 1HB GLN 63 -3.195 9.048 -1.599 501 1HG GLN 63 2HG GLN 63 -3.846 8.080 0.266 502 2HG GLN 63 1HG GLN 63 -3.246 9.464 1.163 503 1HE2 GLN 63 1HE2 GLN 63 -5.497 7.762 1.770 504 2HE2 GLN 63 2HE2 GLN 63 -6.890 8.782 1.820 505 H SER 64 H SER 64 -0.054 10.206 -0.029 506 HA SER 64 HA SER 64 1.688 10.601 -1.992 507 1HB SER 64 2HB SER 64 2.056 9.252 0.153 508 2HB SER 64 1HB SER 64 1.527 7.856 -0.760 509 HG SER 64 HG SER 64 3.592 7.771 -1.203 510 H SER 65 H SER 65 2.638 9.171 -3.635 511 HA SER 65 HA SER 65 0.612 7.534 -5.025 512 1HB SER 65 2HB SER 65 1.754 8.128 -7.138 513 2HB SER 65 1HB SER 65 1.158 9.558 -6.295 514 HG SER 65 HG SER 65 3.824 8.587 -6.209 515 H LYS 66 H LYS 66 3.740 7.597 -3.595 516 HA LYS 66 HA LYS 66 5.374 5.874 -4.806 517 1HB LYS 66 2HB LYS 66 5.883 6.724 -2.605 518 2HB LYS 66 1HB LYS 66 4.575 5.791 -1.893 519 1HG LYS 66 2HG LYS 66 6.748 4.795 -1.432 520 2HG LYS 66 1HG LYS 66 5.741 3.723 -2.406 521 1HD LYS 66 2HD LYS 66 6.948 4.303 -4.398 522 2HD LYS 66 1HD LYS 66 7.850 5.556 -3.541 523 1HE LYS 66 2HE LYS 66 9.388 3.858 -3.530 524 2HE LYS 66 1HE LYS 66 8.558 3.548 -2.006 525 1HZ LYS 66 1HZ LYS 66 7.605 1.674 -2.797 526 2HZ LYS 66 2HZ LYS 66 8.957 1.673 -3.813 527 3HZ LYS 66 3HZ LYS 66 7.473 2.254 -4.381 528 H TYR 67 H TYR 67 4.965 4.090 -5.952 529 HA TYR 67 HA TYR 67 2.727 2.434 -5.333 530 1HB TYR 67 2HB TYR 67 2.980 1.497 -7.408 531 2HB TYR 67 1HB TYR 67 3.715 3.070 -7.655 532 HD1 TYR 67 1HD TYR 67 4.029 0.112 -8.917 533 HD2 TYR 67 2HD TYR 67 6.391 2.643 -6.448 534 HE1 TYR 67 1HE TYR 67 6.055 -0.994 -9.740 535 HE2 TYR 67 2HE TYR 67 8.433 1.541 -7.263 536 HH TYR 67 HH TYR 67 8.619 -0.234 -9.948 537 H LEU 68 H LEU 68 2.615 0.417 -4.605 538 HA LEU 68 HA LEU 68 5.058 -0.643 -3.365 539 1HB LEU 68 2HB LEU 68 2.552 -0.128 -2.276 540 2HB LEU 68 1HB LEU 68 2.563 -1.865 -2.512 541 HG LEU 68 HG LEU 68 4.481 -2.129 -1.106 542 1HD1 LEU 68 1HD1 LEU 68 6.031 -0.548 -1.055 543 2HD1 LEU 68 2HD1 LEU 68 4.970 0.399 -0.013 544 3HD1 LEU 68 3HD1 LEU 68 4.928 0.632 -1.762 545 1HD2 LEU 68 1HD2 LEU 68 3.637 -0.991 1.014 546 2HD2 LEU 68 2HD2 LEU 68 2.524 -2.076 0.182 547 3HD2 LEU 68 3HD2 LEU 68 2.350 -0.330 0.004 548 H THR 69 H THR 69 5.477 -2.876 -3.466 549 HA THR 69 HA THR 69 4.092 -4.255 -5.661 550 HB THR 69 HB THR 69 6.288 -5.377 -6.116 551 HG1 THR 69 1HG THR 69 7.208 -3.410 -4.295 552 1HG2 THR 69 1HG2 THR 69 5.935 -3.759 -7.682 553 2HG2 THR 69 2HG2 THR 69 7.428 -3.180 -6.943 554 3HG2 THR 69 3HG2 THR 69 5.882 -2.455 -6.495 555 H TRP 70 H TRP 70 2.780 -5.583 -4.575 556 HA TRP 70 HA TRP 70 3.852 -7.264 -2.436 557 1HB TRP 70 2HB TRP 70 1.537 -5.886 -2.451 558 2HB TRP 70 1HB TRP 70 0.978 -7.385 -3.184 559 HD1 TRP 70 HD TRP 70 3.539 -8.498 -0.900 560 HE1 TRP 70 1HE TRP 70 2.547 -9.220 1.370 561 HE3 TRP 70 3HE TRP 70 -1.110 -6.394 -1.296 562 HZ2 TRP 70 2HZ TRP 70 0.167 -8.928 2.792 563 HZ3 TRP 70 3HZ TRP 70 -2.685 -6.672 0.571 564 HH2 TRP 70 HH TRP 70 -2.051 -7.925 2.570 565 H ARG 71 H ARG 71 4.303 -9.315 -2.839 566 HA ARG 71 HA ARG 71 3.029 -10.699 -5.057 567 1HB ARG 71 2HB ARG 71 5.873 -9.970 -4.837 568 2HB ARG 71 1HB ARG 71 5.550 -11.624 -5.339 569 1HG ARG 71 2HG ARG 71 5.585 -10.639 -7.378 570 2HG ARG 71 1HG ARG 71 3.884 -10.379 -6.989 571 1HD ARG 71 2HD ARG 71 5.055 -8.362 -7.875 572 2HD ARG 71 1HD ARG 71 4.312 -8.136 -6.292 573 HE ARG 71 HE ARG 71 6.397 -7.847 -5.376 574 1HH1 ARG 71 1HH1 ARG 71 6.727 -9.093 -8.620 575 2HH1 ARG 71 2HH1 ARG 71 8.439 -8.835 -8.679 576 1HH2 ARG 71 1HH2 ARG 71 8.648 -7.509 -5.453 577 2HH2 ARG 71 2HH2 ARG 71 9.529 -7.938 -6.881 578 H ASP 72 H ASP 72 2.604 -12.812 -4.621 579 HA ASP 72 HA ASP 72 3.100 -13.705 -1.935 580 1HB ASP 72 2HB ASP 72 1.769 -15.667 -2.539 581 2HB ASP 72 1HB ASP 72 0.951 -14.189 -3.031 582 H LYS 73 H LYS 73 4.032 -15.787 -1.447 583 HA LYS 73 HA LYS 73 6.623 -16.108 -2.059 584 1HB LYS 73 2HB LYS 73 6.512 -18.343 -1.225 585 2HB LYS 73 1HB LYS 73 5.350 -17.370 -0.339 586 1HG LYS 73 2HG LYS 73 4.726 -19.279 -2.582 587 2HG LYS 73 1HG LYS 73 4.435 -19.541 -0.865 588 1HD LYS 73 2HD LYS 73 3.077 -17.295 -1.100 589 2HD LYS 73 1HD LYS 73 2.991 -17.793 -2.788 590 1HE LYS 73 2HE LYS 73 1.773 -19.697 -2.305 591 2HE LYS 73 1HE LYS 73 2.329 -19.747 -0.633 592 1HZ LYS 73 1HZ LYS 73 0.607 -18.529 0.018 593 2HZ LYS 73 2HZ LYS 73 -0.062 -18.759 -1.519 594 3HZ LYS 73 3HZ LYS 73 0.848 -17.370 -1.192 595 H GLU 74 H GLU 74 3.993 -17.074 -4.136 596 HA GLU 74 HA GLU 74 5.523 -18.802 -5.802 597 1HB GLU 74 2HB GLU 74 2.856 -18.262 -5.545 598 2HB GLU 74 1HB GLU 74 3.236 -17.417 -7.039 599 1HG GLU 74 2HG GLU 74 4.303 -19.577 -7.822 600 2HG GLU 74 1HG GLU 74 3.536 -20.340 -6.430 601 H ASN 75 H ASN 75 5.895 -15.615 -5.246 602 HA ASN 75 HA ASN 75 7.190 -14.037 -6.249 603 1HB ASN 75 2HB ASN 75 8.205 -16.239 -7.350 604 2HB ASN 75 1HB ASN 75 7.466 -15.556 -8.795 605 1HD2 ASN 75 1HD2 ASN 75 9.999 -15.309 -6.495 606 2HD2 ASN 75 2HD2 ASN 75 10.841 -13.993 -7.234 607 H ASN 76 H ASN 76 4.447 -13.791 -6.341 608 HA ASN 76 HA ASN 76 4.056 -11.836 -8.270 609 1HB ASN 76 2HB ASN 76 2.425 -13.066 -9.796 610 2HB ASN 76 1HB ASN 76 4.136 -13.397 -10.038 611 1HD2 ASN 76 1HD2 ASN 76 4.863 -15.428 -9.842 612 2HD2 ASN 76 2HD2 ASN 76 3.888 -16.781 -9.386 613 H SER 77 H SER 77 2.174 -10.721 -7.957 614 HA SER 77 HA SER 77 -0.190 -11.861 -6.898 615 1HB SER 77 2HB SER 77 0.954 -11.942 -4.788 616 2HB SER 77 1HB SER 77 1.502 -10.280 -4.967 617 HG SER 77 HG SER 77 -0.627 -9.592 -4.780 618 H GLY 78 H GLY 78 1.695 -8.828 -7.085 619 1HA GLY 78 2HA GLY 78 0.318 -7.435 -8.887 620 2HA GLY 78 1HA GLY 78 -0.763 -7.331 -7.507 621 H LEU 79 H LEU 79 0.772 -5.251 -8.945 622 HA LEU 79 HA LEU 79 1.772 -3.899 -6.600 623 1HB LEU 79 2HB LEU 79 3.979 -3.460 -7.460 624 2HB LEU 79 1HB LEU 79 3.722 -5.190 -7.358 625 HG LEU 79 HG LEU 79 2.965 -4.414 -9.970 626 1HD1 LEU 79 1HD1 LEU 79 5.730 -3.684 -10.020 627 2HD1 LEU 79 2HD1 LEU 79 4.846 -2.598 -8.948 628 3HD1 LEU 79 3HD1 LEU 79 4.330 -2.798 -10.623 629 1HD2 LEU 79 1HD2 LEU 79 4.244 -6.475 -8.799 630 2HD2 LEU 79 2HD2 LEU 79 5.609 -5.648 -9.550 631 3HD2 LEU 79 3HD2 LEU 79 4.249 -6.180 -10.537 632 H ILE 80 H ILE 80 1.152 -1.836 -6.711 633 HA ILE 80 HA ILE 80 1.245 -0.364 -9.192 634 HB ILE 80 HB ILE 80 -1.100 0.254 -9.284 635 1HG1 ILE 80 2HG1 ILE 80 -2.495 -1.611 -7.811 636 2HG1 ILE 80 1HG1 ILE 80 -1.177 -1.176 -6.728 637 1HG2 ILE 80 1HG2 ILE 80 -0.259 -1.717 -10.551 638 2HG2 ILE 80 2HG2 ILE 80 -1.988 -1.766 -10.205 639 3HG2 ILE 80 3HG2 ILE 80 -0.870 -2.748 -9.258 640 1HD1 ILE 80 1HD1 ILE 80 -3.564 0.203 -7.155 641 2HD1 ILE 80 2HD1 ILE 80 -2.303 1.182 -7.907 642 3HD1 ILE 80 3HD1 ILE 80 -2.172 0.727 -6.208 643 H LYS 81 H LYS 81 0.553 1.897 -8.927 644 HA LYS 81 HA LYS 81 1.575 2.981 -6.488 645 1HB LYS 81 2HB LYS 81 1.085 5.174 -7.559 646 2HB LYS 81 1HB LYS 81 2.085 4.109 -8.538 647 1HG LYS 81 2HG LYS 81 -0.756 3.800 -9.078 648 2HG LYS 81 1HG LYS 81 -0.170 5.438 -9.371 649 1HD LYS 81 2HD LYS 81 1.776 4.209 -10.607 650 2HD LYS 81 1HD LYS 81 0.626 2.873 -10.679 651 1HE LYS 81 2HE LYS 81 -0.083 5.651 -11.579 652 2HE LYS 81 1HE LYS 81 0.671 4.477 -12.657 653 1HZ LYS 81 1HZ LYS 81 -1.506 4.053 -13.076 654 2HZ LYS 81 2HZ LYS 81 -2.028 4.502 -11.532 655 3HZ LYS 81 3HZ LYS 81 -1.297 2.996 -11.772 656 HA PRO 82 HA PRO 82 -2.587 3.321 -4.751 657 1HB PRO 82 2HB PRO 82 -1.960 2.779 -2.239 658 2HB PRO 82 1HB PRO 82 -1.885 1.506 -3.463 659 1HG PRO 82 2HG PRO 82 0.322 3.024 -2.170 660 2HG PRO 82 1HG PRO 82 0.289 1.344 -2.732 661 1HD PRO 82 2HD PRO 82 1.329 3.599 -4.115 662 2HD PRO 82 1HD PRO 82 1.136 1.954 -4.739 663 H PHE 83 H PHE 83 -3.310 4.468 -2.641 664 HA PHE 83 HA PHE 83 -2.098 7.126 -2.613 665 1HB PHE 83 2HB PHE 83 -4.890 6.132 -2.384 666 2HB PHE 83 1HB PHE 83 -4.473 7.555 -1.438 667 HD1 PHE 83 1HD PHE 83 -6.391 7.173 -3.886 668 HD2 PHE 83 2HD PHE 83 -2.440 8.672 -3.414 669 HE1 PHE 83 1HE PHE 83 -6.697 8.578 -5.884 670 HE2 PHE 83 2HE PHE 83 -2.735 10.083 -5.414 671 HZ PHE 83 HZ PHE 83 -4.865 10.038 -6.650 672 H VAL 84 H VAL 84 -1.015 7.715 -0.871 673 HA VAL 84 HA VAL 84 -1.483 6.277 1.643 674 HB VAL 84 HB VAL 84 1.067 7.641 0.864 675 1HG1 VAL 84 1HG1 VAL 84 1.997 6.682 2.645 676 2HG1 VAL 84 2HG1 VAL 84 0.973 5.248 2.553 677 3HG1 VAL 84 3HG1 VAL 84 0.333 6.748 3.226 678 1HG2 VAL 84 1HG2 VAL 84 1.581 4.985 0.508 679 2HG2 VAL 84 2HG2 VAL 84 1.282 6.138 -0.790 680 3HG2 VAL 84 3HG2 VAL 84 -0.036 5.145 -0.176 681 H ILE 85 H ILE 85 -2.513 7.524 3.085 682 HA ILE 85 HA ILE 85 -1.577 10.305 3.403 683 HB ILE 85 HB ILE 85 -4.322 9.357 3.010 684 1HG1 ILE 85 2HG1 ILE 85 -2.949 11.173 1.779 685 2HG1 ILE 85 1HG1 ILE 85 -4.648 11.484 2.099 686 1HG2 ILE 85 1HG2 ILE 85 -5.403 10.832 4.602 687 2HG2 ILE 85 2HG2 ILE 85 -3.840 11.279 5.278 688 3HG2 ILE 85 3HG2 ILE 85 -4.428 9.626 5.441 689 1HD1 ILE 85 1HD1 ILE 85 -3.801 12.708 4.197 690 2HD1 ILE 85 2HD1 ILE 85 -3.603 13.480 2.624 691 3HD1 ILE 85 3HD1 ILE 85 -2.232 12.678 3.390 692 HA PRO 86 HA PRO 86 -0.777 8.937 7.509 693 1HB PRO 86 2HB PRO 86 -0.449 11.280 8.787 694 2HB PRO 86 1HB PRO 86 0.701 10.706 7.573 695 1HG PRO 86 2HG PRO 86 -1.491 12.722 7.304 696 2HG PRO 86 1HG PRO 86 0.158 12.766 6.652 697 1HD PRO 86 2HD PRO 86 -2.053 12.044 5.198 698 2HD PRO 86 1HD PRO 86 -0.407 11.505 4.825 699 H ASN 87 H ASN 87 -3.472 8.676 7.014 700 HA ASN 87 HA ASN 87 -4.550 9.394 9.622 701 1HB ASN 87 2HB ASN 87 -6.565 10.320 8.811 702 2HB ASN 87 1HB ASN 87 -5.298 11.080 7.858 703 1HD2 ASN 87 1HD2 ASN 87 -7.614 11.336 6.775 704 2HD2 ASN 87 2HD2 ASN 87 -7.890 10.234 5.475 705 H LEU 88 H LEU 88 -3.767 6.993 7.658 706 HA LEU 88 HA LEU 88 -4.286 4.788 7.593 707 1HB LEU 88 2HB LEU 88 -5.167 5.610 10.090 708 2HB LEU 88 1HB LEU 88 -6.561 4.794 9.410 709 HG LEU 88 HG LEU 88 -5.278 3.221 10.703 710 1HD1 LEU 88 1HD1 LEU 88 -6.339 2.373 8.681 711 2HD1 LEU 88 2HD1 LEU 88 -4.833 1.518 9.010 712 3HD1 LEU 88 3HD1 LEU 88 -4.889 2.752 7.751 713 1HD2 LEU 88 1HD2 LEU 88 -2.920 2.692 9.583 714 2HD2 LEU 88 2HD2 LEU 88 -3.108 3.862 10.890 715 3HD2 LEU 88 3HD2 LEU 88 -3.011 4.415 9.217 716 HA PRO 89 HA PRO 89 -7.840 5.702 4.830 717 1HB PRO 89 2HB PRO 89 -6.298 4.363 2.764 718 2HB PRO 89 1HB PRO 89 -6.828 6.043 2.833 719 1HG PRO 89 2HG PRO 89 -4.219 5.313 3.038 720 2HG PRO 89 1HG PRO 89 -4.884 6.755 3.824 721 1HD PRO 89 2HD PRO 89 -4.336 4.045 4.989 722 2HD PRO 89 1HD PRO 89 -3.974 5.651 5.660 723 H VAL 90 H VAL 90 -7.308 3.334 6.616 724 HA VAL 90 HA VAL 90 -8.355 1.351 6.998 725 HB VAL 90 HB VAL 90 -9.472 1.610 4.227 726 1HG1 VAL 90 1HG1 VAL 90 -10.061 -0.179 6.545 727 2HG1 VAL 90 2HG1 VAL 90 -9.868 -0.587 4.842 728 3HG1 VAL 90 3HG1 VAL 90 -11.335 0.221 5.395 729 1HG2 VAL 90 1HG2 VAL 90 -10.895 3.170 4.926 730 2HG2 VAL 90 2HG2 VAL 90 -9.936 3.293 6.401 731 3HG2 VAL 90 3HG2 VAL 90 -11.333 2.215 6.342 732 H ASN 91 H ASN 91 -5.942 1.888 4.888 733 HA ASN 91 HA ASN 91 -4.547 0.617 3.590 734 1HB ASN 91 2HB ASN 91 -3.928 -1.573 4.865 735 2HB ASN 91 1HB ASN 91 -3.550 -0.013 5.581 736 1HD2 ASN 91 1HD2 ASN 91 -5.938 -2.604 5.564 737 2HD2 ASN 91 2HD2 ASN 91 -6.447 -2.389 7.202 738 H LEU 92 H LEU 92 -5.739 0.182 1.745 739 HA LEU 92 HA LEU 92 -6.696 -2.590 1.552 740 1HB LEU 92 2HB LEU 92 -8.319 -1.369 -0.246 741 2HB LEU 92 1HB LEU 92 -8.794 -1.806 1.386 742 HG LEU 92 HG LEU 92 -7.601 0.798 1.448 743 1HD1 LEU 92 1HD1 LEU 92 -8.270 0.753 -0.984 744 2HD1 LEU 92 2HD1 LEU 92 -8.970 2.049 -0.013 745 3HD1 LEU 92 3HD1 LEU 92 -9.941 0.637 -0.430 746 1HD2 LEU 92 1HD2 LEU 92 -9.149 0.004 3.102 747 2HD2 LEU 92 2HD2 LEU 92 -10.402 -0.222 1.882 748 3HD2 LEU 92 3HD2 LEU 92 -9.852 1.404 2.291 749 H TRP 93 H TRP 93 -6.360 -3.593 -0.394 750 HA TRP 93 HA TRP 93 -4.364 -2.356 -2.100 751 1HB TRP 93 2HB TRP 93 -4.932 -4.998 -1.282 752 2HB TRP 93 1HB TRP 93 -5.221 -4.943 -3.013 753 HD1 TRP 93 HD TRP 93 -3.119 -6.396 -3.612 754 HE1 TRP 93 1HE TRP 93 -0.597 -5.904 -3.623 755 HE3 TRP 93 3HE TRP 93 -3.099 -2.080 -0.857 756 HZ2 TRP 93 2HZ TRP 93 1.156 -3.969 -2.624 757 HZ3 TRP 93 3HZ TRP 93 -0.946 -0.974 -0.441 758 HH2 TRP 93 HH TRP 93 1.138 -1.902 -1.294 759 H GLY 94 H GLY 94 -4.810 -3.199 -4.584 760 1HA GLY 94 2HA GLY 94 -7.302 -1.796 -5.235 761 2HA GLY 94 1HA GLY 94 -5.952 -2.045 -6.319 762 H ARG 95 H ARG 95 -8.794 -2.558 -6.739 763 HA ARG 95 HA ARG 95 -9.614 -5.162 -6.525 764 1HB ARG 95 2HB ARG 95 -11.011 -3.355 -7.410 765 2HB ARG 95 1HB ARG 95 -10.053 -3.319 -8.875 766 1HG ARG 95 2HG ARG 95 -10.940 -5.277 -9.678 767 2HG ARG 95 1HG ARG 95 -11.356 -5.869 -8.070 768 1HD ARG 95 2HD ARG 95 -12.736 -3.664 -9.596 769 2HD ARG 95 1HD ARG 95 -13.370 -5.277 -9.268 770 HE ARG 95 HE ARG 95 -12.690 -3.809 -6.896 771 1HH1 ARG 95 1HH1 ARG 95 -15.175 -4.388 -9.276 772 2HH1 ARG 95 2HH1 ARG 95 -16.467 -3.911 -8.227 773 1HH2 ARG 95 1HH2 ARG 95 -14.388 -3.183 -5.513 774 2HH2 ARG 95 2HH2 ARG 95 -16.020 -3.226 -6.090 775 H ASP 96 H ASP 96 -7.142 -3.896 -8.613 776 HA ASP 96 HA ASP 96 -7.093 -6.103 -10.420 777 1HB ASP 96 2HB ASP 96 -6.101 -3.702 -10.691 778 2HB ASP 96 1HB ASP 96 -4.697 -4.380 -9.875 779 H LEU 97 H LEU 97 -5.079 -5.177 -7.628 780 HA LEU 97 HA LEU 97 -3.495 -7.526 -7.704 781 1HB LEU 97 2HB LEU 97 -3.980 -5.830 -5.259 782 2HB LEU 97 1HB LEU 97 -2.596 -6.842 -5.605 783 HG LEU 97 HG LEU 97 -3.158 -4.072 -6.416 784 1HD1 LEU 97 1HD1 LEU 97 -1.311 -4.111 -5.130 785 2HD1 LEU 97 2HD1 LEU 97 -0.511 -4.447 -6.666 786 3HD1 LEU 97 3HD1 LEU 97 -0.907 -5.772 -5.571 787 1HD2 LEU 97 1HD2 LEU 97 -3.290 -4.699 -8.618 788 2HD2 LEU 97 2HD2 LEU 97 -2.273 -6.121 -8.391 789 3HD2 LEU 97 3HD2 LEU 97 -1.546 -4.514 -8.432 790 H LEU 98 H LEU 98 -6.431 -6.644 -5.929 791 HA LEU 98 HA LEU 98 -6.514 -8.963 -4.311 792 1HB LEU 98 2HB LEU 98 -8.651 -7.042 -5.216 793 2HB LEU 98 1HB LEU 98 -9.014 -8.421 -4.201 794 HG LEU 98 HG LEU 98 -8.810 -6.746 -2.638 795 1HD1 LEU 98 1HD1 LEU 98 -5.895 -7.340 -2.691 796 2HD1 LEU 98 2HD1 LEU 98 -7.035 -8.657 -2.417 797 3HD1 LEU 98 3HD1 LEU 98 -7.007 -7.272 -1.326 798 1HD2 LEU 98 1HD2 LEU 98 -7.279 -4.901 -2.749 799 2HD2 LEU 98 2HD2 LEU 98 -8.121 -5.051 -4.293 800 3HD2 LEU 98 3HD2 LEU 98 -6.462 -5.621 -4.134 801 H SER 99 H SER 99 -8.319 -8.142 -7.274 802 HA SER 99 HA SER 99 -9.725 -10.422 -7.719 803 1HB SER 99 2HB SER 99 -8.293 -8.606 -9.644 804 2HB SER 99 1HB SER 99 -9.219 -9.990 -10.223 805 HG SER 99 HG SER 99 -10.999 -9.075 -8.944 806 H GLN 100 H GLN 100 -6.342 -9.883 -8.653 807 HA GLN 100 HA GLN 100 -5.934 -12.487 -9.702 808 1HB GLN 100 2HB GLN 100 -4.147 -10.247 -8.840 809 2HB GLN 100 1HB GLN 100 -3.453 -11.811 -9.243 810 1HG GLN 100 2HG GLN 100 -3.702 -11.484 -11.431 811 2HG GLN 100 1HG GLN 100 -5.336 -10.849 -11.243 812 1HE2 GLN 100 1HE2 GLN 100 -1.940 -9.966 -10.779 813 2HE2 GLN 100 2HE2 GLN 100 -2.135 -8.302 -11.197 814 H MET 101 H MET 101 -4.789 -11.001 -6.657 815 HA MET 101 HA MET 101 -3.560 -13.075 -5.446 816 1HB MET 101 2HB MET 101 -4.790 -10.659 -4.589 817 2HB MET 101 1HB MET 101 -5.240 -11.920 -3.451 818 1HG MET 101 2HG MET 101 -2.881 -12.478 -3.145 819 2HG MET 101 1HG MET 101 -2.442 -11.202 -4.277 820 1HE MET 101 1HE MET 101 -3.089 -8.969 -4.143 821 2HE MET 101 2HE MET 101 -1.970 -8.384 -2.912 822 3HE MET 101 3HE MET 101 -3.697 -8.076 -2.749 823 H LYS 102 H LYS 102 -7.058 -12.469 -4.990 824 HA LYS 102 HA LYS 102 -7.866 -15.101 -5.400 825 1HB LYS 102 2HB LYS 102 -6.446 -14.983 -3.065 826 2HB LYS 102 1HB LYS 102 -8.092 -14.759 -2.489 827 1HG LYS 102 2HG LYS 102 -8.679 -16.880 -2.935 828 2HG LYS 102 1HG LYS 102 -7.733 -16.939 -4.425 829 1HD LYS 102 2HD LYS 102 -6.000 -16.738 -2.132 830 2HD LYS 102 1HD LYS 102 -7.104 -18.102 -1.954 831 1HE LYS 102 2HE LYS 102 -5.653 -19.233 -3.223 832 2HE LYS 102 1HE LYS 102 -6.310 -18.308 -4.573 833 1HZ LYS 102 1HZ LYS 102 -3.728 -18.133 -3.310 834 2HZ LYS 102 2HZ LYS 102 -4.463 -16.628 -3.548 835 3HZ LYS 102 3HZ LYS 102 -4.207 -17.662 -4.863 836 H ILE 103 H ILE 103 -8.972 -12.769 -6.191 837 HA ILE 103 HA ILE 103 -11.398 -12.588 -4.512 838 HB ILE 103 HB ILE 103 -9.828 -10.445 -5.838 839 1HG1 ILE 103 2HG1 ILE 103 -10.727 -9.199 -3.821 840 2HG1 ILE 103 1HG1 ILE 103 -11.450 -10.721 -3.311 841 1HG2 ILE 103 1HG2 ILE 103 -11.850 -10.203 -7.084 842 2HG2 ILE 103 2HG2 ILE 103 -11.835 -8.953 -5.840 843 3HG2 ILE 103 3HG2 ILE 103 -12.830 -10.395 -5.631 844 1HD1 ILE 103 1HD1 ILE 103 -9.543 -11.392 -2.423 845 2HD1 ILE 103 2HD1 ILE 103 -8.882 -9.793 -2.763 846 3HD1 ILE 103 3HD1 ILE 103 -8.675 -11.098 -3.930 847 H MET 104 H MET 104 -10.102 -12.601 -7.795 848 HA MET 104 HA MET 104 -12.522 -12.418 -9.189 849 1HB MET 104 2HB MET 104 -10.018 -12.436 -10.011 850 2HB MET 104 1HB MET 104 -10.311 -14.157 -10.209 851 1HG MET 104 2HG MET 104 -11.369 -13.816 -12.116 852 2HG MET 104 1HG MET 104 -12.480 -12.682 -11.350 853 1HE MET 104 1HE MET 104 -8.463 -12.236 -11.837 854 2HE MET 104 2HE MET 104 -8.552 -11.652 -13.498 855 3HE MET 104 3HE MET 104 -9.149 -13.261 -13.097 856 H MET 105 H MET 105 -14.112 -13.840 -9.632 857 HA MET 105 HA MET 105 -14.358 -16.195 -8.099 858 1HB MET 105 2HB MET 105 -16.107 -14.607 -9.422 859 2HB MET 105 1HB MET 105 -16.027 -15.971 -10.527 860 1HG MET 105 2HG MET 105 -17.160 -17.320 -9.148 861 2HG MET 105 1HG MET 105 -16.346 -16.706 -7.711 862 1HE MET 105 1HE MET 105 -18.510 -13.953 -6.380 863 2HE MET 105 2HE MET 105 -16.824 -14.288 -6.778 864 3HE MET 105 3HE MET 105 -17.774 -15.479 -5.888 865 H ALA 106 H ALA 106 -12.244 -17.133 -8.760 866 HA ALA 106 HA ALA 106 -11.917 -18.206 -11.381 867 1HB ALA 106 1HB ALA 106 -10.524 -18.813 -8.777 868 2HB ALA 106 2HB ALA 106 -9.965 -17.758 -10.076 869 3HB ALA 106 3HB ALA 106 -10.056 -19.501 -10.333 870 H SER 107 H SER 107 -13.670 -19.462 -11.939 871 HA SER 107 HA SER 107 -13.768 -22.089 -10.671 872 1HB SER 107 2HB SER 107 -16.343 -21.945 -10.844 873 2HB SER 107 1HB SER 107 -15.560 -21.119 -9.498 874 HG SER 107 HG SER 107 -16.706 -19.498 -10.238 Start of MODEL 2 1 1H TRP 1 1HT TRP 1 9.037 -15.781 5.148 2 2H TRP 1 2HT TRP 1 9.607 -16.266 3.604 3 3H TRP 1 3HT TRP 1 10.204 -17.029 5.020 4 HA TRP 1 HA TRP 1 8.539 -18.283 3.700 5 1HB TRP 1 2HB TRP 1 7.372 -19.000 5.800 6 2HB TRP 1 1HB TRP 1 9.123 -18.904 5.955 7 HD1 TRP 1 HD TRP 1 10.116 -17.004 7.546 8 HE1 TRP 1 1HE TRP 1 9.046 -15.577 9.401 9 HE3 TRP 1 3HE TRP 1 5.187 -17.829 6.466 10 HZ2 TRP 1 2HZ TRP 1 6.455 -14.891 10.289 11 HZ3 TRP 1 3HZ TRP 1 3.476 -16.751 7.867 12 HH2 TRP 1 HH TRP 1 4.099 -15.313 9.740 13 H VAL 2 H VAL 2 6.292 -18.611 3.332 14 HA VAL 2 HA VAL 2 4.705 -16.130 3.463 15 HB VAL 2 HB VAL 2 5.295 -16.800 1.167 16 1HG1 VAL 2 1HG1 VAL 2 5.238 -18.913 0.490 17 2HG1 VAL 2 2HG1 VAL 2 3.516 -19.022 0.857 18 3HG1 VAL 2 3HG1 VAL 2 4.708 -19.390 2.104 19 1HG2 VAL 2 1HG2 VAL 2 2.352 -17.198 1.670 20 2HG2 VAL 2 2HG2 VAL 2 3.119 -16.553 0.220 21 3HG2 VAL 2 3HG2 VAL 2 3.155 -15.628 1.719 22 H GLN 3 H GLN 3 2.394 -16.374 3.712 23 HA GLN 3 HA GLN 3 1.589 -18.923 4.943 24 1HB GLN 3 2HB GLN 3 2.094 -16.697 6.427 25 2HB GLN 3 1HB GLN 3 0.377 -16.498 6.104 26 1HG GLN 3 2HG GLN 3 1.034 -19.202 6.920 27 2HG GLN 3 1HG GLN 3 1.510 -18.000 8.119 28 1HE2 GLN 3 1HE2 GLN 3 -0.782 -20.074 7.625 29 2HE2 GLN 3 2HE2 GLN 3 -2.181 -19.207 8.153 30 HA PRO 4 HA PRO 4 -1.872 -18.454 2.197 31 1HB PRO 4 2HB PRO 4 -3.452 -20.412 3.164 32 2HB PRO 4 1HB PRO 4 -1.974 -20.760 2.261 33 1HG PRO 4 2HG PRO 4 -2.435 -20.773 5.219 34 2HG PRO 4 1HG PRO 4 -1.541 -21.933 4.221 35 1HD PRO 4 2HD PRO 4 -0.332 -19.972 5.678 36 2HD PRO 4 1HD PRO 4 0.348 -20.628 4.178 37 H ILE 5 H ILE 5 -3.840 -17.436 2.153 38 HA ILE 5 HA ILE 5 -4.688 -16.166 4.621 39 HB ILE 5 HB ILE 5 -4.502 -14.777 2.636 40 1HG1 ILE 5 2HG1 ILE 5 -7.455 -15.023 3.134 41 2HG1 ILE 5 1HG1 ILE 5 -6.373 -14.494 4.418 42 1HG2 ILE 5 1HG2 ILE 5 -5.952 -16.966 1.409 43 2HG2 ILE 5 2HG2 ILE 5 -4.965 -15.707 0.670 44 3HG2 ILE 5 3HG2 ILE 5 -6.662 -15.397 1.030 45 1HD1 ILE 5 1HD1 ILE 5 -6.516 -13.164 1.729 46 2HD1 ILE 5 2HD1 ILE 5 -5.723 -12.576 3.190 47 3HD1 ILE 5 3HD1 ILE 5 -7.483 -12.670 3.117 48 H THR 6 H THR 6 -6.488 -16.620 5.743 49 HA THR 6 HA THR 6 -8.118 -18.874 4.821 50 HB THR 6 HB THR 6 -8.125 -17.611 7.563 51 HG1 THR 6 1HG THR 6 -6.622 -19.862 6.728 52 1HG2 THR 6 1HG2 THR 6 -9.991 -19.188 6.887 53 2HG2 THR 6 2HG2 THR 6 -9.095 -19.585 8.354 54 3HG2 THR 6 3HG2 THR 6 -8.760 -20.453 6.855 55 H ALA 7 H ALA 7 -10.081 -18.538 4.023 56 HA ALA 7 HA ALA 7 -12.061 -17.555 3.478 57 1HB ALA 7 1HB ALA 7 -12.078 -17.567 6.112 58 2HB ALA 7 2HB ALA 7 -13.329 -16.729 5.196 59 3HB ALA 7 3HB ALA 7 -11.992 -15.818 5.896 60 H GLN 8 H GLN 8 -13.104 -15.069 3.666 61 HA GLN 8 HA GLN 8 -11.144 -13.471 2.178 62 1HB GLN 8 2HB GLN 8 -14.063 -12.797 2.333 63 2HB GLN 8 1HB GLN 8 -12.912 -12.459 1.047 64 1HG GLN 8 2HG GLN 8 -14.032 -15.168 1.734 65 2HG GLN 8 1HG GLN 8 -14.545 -14.147 0.391 66 1HE2 GLN 8 1HE2 GLN 8 -13.017 -13.717 -1.294 67 2HE2 GLN 8 2HE2 GLN 8 -11.759 -14.851 -1.634 68 H LYS 9 H LYS 9 -10.018 -12.547 3.879 69 HA LYS 9 HA LYS 9 -11.419 -10.353 5.197 70 1HB LYS 9 2HB LYS 9 -10.548 -12.746 6.546 71 2HB LYS 9 1HB LYS 9 -9.645 -11.362 7.148 72 1HG LYS 9 2HG LYS 9 -11.477 -11.459 8.557 73 2HG LYS 9 1HG LYS 9 -11.944 -10.231 7.379 74 1HD LYS 9 2HD LYS 9 -12.802 -12.625 6.259 75 2HD LYS 9 1HD LYS 9 -13.170 -12.788 7.978 76 1HE LYS 9 2HE LYS 9 -15.030 -11.798 6.696 77 2HE LYS 9 1HE LYS 9 -14.417 -10.719 7.948 78 1HZ LYS 9 1HZ LYS 9 -13.405 -10.521 5.187 79 2HZ LYS 9 2HZ LYS 9 -13.440 -9.337 6.396 80 3HZ LYS 9 3HZ LYS 9 -14.869 -9.787 5.611 81 HA PRO 10 HA PRO 10 -7.676 -8.182 4.368 82 1HB PRO 10 2HB PRO 10 -7.520 -6.403 6.384 83 2HB PRO 10 1HB PRO 10 -8.779 -6.311 5.147 84 1HG PRO 10 2HG PRO 10 -8.931 -7.399 7.930 85 2HG PRO 10 1HG PRO 10 -10.102 -6.396 7.055 86 1HD PRO 10 2HD PRO 10 -10.337 -9.105 7.335 87 2HD PRO 10 1HD PRO 10 -11.017 -8.195 5.973 88 H SER 11 H SER 11 -6.858 -10.565 5.245 89 HA SER 11 HA SER 11 -4.544 -9.889 6.869 90 1HB SER 11 2HB SER 11 -6.216 -12.275 7.650 91 2HB SER 11 1HB SER 11 -4.861 -11.561 8.526 92 HG SER 11 HG SER 11 -6.177 -9.702 8.848 93 H LEU 12 H LEU 12 -2.874 -10.570 5.746 94 HA LEU 12 HA LEU 12 -2.563 -13.280 4.952 95 1HB LEU 12 2HB LEU 12 -3.379 -13.209 2.883 96 2HB LEU 12 1HB LEU 12 -3.743 -11.506 3.047 97 HG LEU 12 HG LEU 12 -0.989 -12.440 2.279 98 1HD1 LEU 12 1HD1 LEU 12 -3.355 -12.814 0.751 99 2HD1 LEU 12 2HD1 LEU 12 -1.681 -13.120 0.291 100 3HD1 LEU 12 3HD1 LEU 12 -2.401 -11.538 -0.003 101 1HD2 LEU 12 1HD2 LEU 12 -1.527 -10.078 1.015 102 2HD2 LEU 12 2HD2 LEU 12 -0.666 -10.243 2.545 103 3HD2 LEU 12 3HD2 LEU 12 -2.394 -9.891 2.539 104 H THR 13 H THR 13 -0.402 -13.719 4.187 105 HA THR 13 HA THR 13 1.449 -11.490 4.726 106 HB THR 13 HB THR 13 2.108 -14.398 5.155 107 HG1 THR 13 1HG THR 13 0.502 -14.085 6.592 108 1HG2 THR 13 1HG2 THR 13 3.272 -12.125 6.683 109 2HG2 THR 13 2HG2 THR 13 3.870 -12.485 5.064 110 3HG2 THR 13 3HG2 THR 13 3.951 -13.712 6.327 111 H LEU 14 H LEU 14 2.395 -10.820 2.943 112 HA LEU 14 HA LEU 14 3.455 -12.806 1.065 113 1HB LEU 14 2HB LEU 14 2.176 -10.264 0.111 114 2HB LEU 14 1HB LEU 14 2.781 -11.577 -0.864 115 HG LEU 14 HG LEU 14 0.283 -11.531 0.820 116 1HD1 LEU 14 1HD1 LEU 14 -0.852 -11.909 -1.254 117 2HD1 LEU 14 2HD1 LEU 14 0.677 -12.119 -2.108 118 3HD1 LEU 14 3HD1 LEU 14 0.237 -10.537 -1.465 119 1HD2 LEU 14 1HD2 LEU 14 0.495 -13.716 1.158 120 2HD2 LEU 14 2HD2 LEU 14 1.955 -13.787 0.172 121 3HD2 LEU 14 3HD2 LEU 14 0.371 -13.940 -0.585 122 H TRP 15 H TRP 15 4.966 -11.619 -0.551 123 HA TRP 15 HA TRP 15 6.723 -9.978 1.111 124 1HB TRP 15 2HB TRP 15 8.238 -11.427 0.375 125 2HB TRP 15 1HB TRP 15 7.056 -12.143 -0.700 126 HD1 TRP 15 HD TRP 15 6.778 -10.145 -2.995 127 HE1 TRP 15 1HE TRP 15 8.792 -9.577 -4.493 128 HE3 TRP 15 3HE TRP 15 10.571 -11.578 0.103 129 HZ2 TRP 15 2HZ TRP 15 11.600 -9.740 -4.409 130 HZ3 TRP 15 3HZ TRP 15 12.884 -11.358 -0.688 131 HH2 TRP 15 HH TRP 15 13.385 -10.466 -2.890 132 H LEU 16 H LEU 16 7.456 -7.989 0.535 133 HA LEU 16 HA LEU 16 6.491 -6.878 -2.001 134 1HB LEU 16 2HB LEU 16 6.032 -4.727 -0.692 135 2HB LEU 16 1HB LEU 16 4.868 -6.032 -0.585 136 HG LEU 16 HG LEU 16 6.086 -6.694 1.582 137 1HD1 LEU 16 1HD1 LEU 16 6.912 -4.316 2.549 138 2HD1 LEU 16 2HD1 LEU 16 7.438 -4.179 0.871 139 3HD1 LEU 16 3HD1 LEU 16 7.993 -5.529 1.861 140 1HD2 LEU 16 1HD2 LEU 16 4.754 -5.117 2.882 141 2HD2 LEU 16 2HD2 LEU 16 3.843 -5.732 1.502 142 3HD2 LEU 16 3HD2 LEU 16 4.536 -4.111 1.449 143 H ASP 17 H ASP 17 7.888 -5.754 -3.079 144 HA ASP 17 HA ASP 17 10.075 -5.244 -3.700 145 1HB ASP 17 2HB ASP 17 10.482 -2.879 -2.845 146 2HB ASP 17 1HB ASP 17 8.973 -3.177 -3.696 147 H ASP 18 H ASP 18 10.415 -7.048 -1.375 148 HA ASP 18 HA ASP 18 13.079 -6.715 -0.883 149 1HB ASP 18 2HB ASP 18 11.623 -4.726 0.561 150 2HB ASP 18 1HB ASP 18 12.341 -5.838 1.719 151 H LYS 19 H LYS 19 10.137 -7.448 1.031 152 HA LYS 19 HA LYS 19 10.944 -10.163 1.349 153 1HB LYS 19 2HB LYS 19 11.412 -10.173 3.733 154 2HB LYS 19 1HB LYS 19 12.549 -9.137 2.882 155 1HG LYS 19 2HG LYS 19 10.586 -7.373 3.569 156 2HG LYS 19 1HG LYS 19 10.583 -8.484 4.940 157 1HD LYS 19 2HD LYS 19 13.181 -7.437 3.907 158 2HD LYS 19 1HD LYS 19 12.173 -6.404 4.923 159 1HE LYS 19 2HE LYS 19 13.339 -9.094 5.609 160 2HE LYS 19 1HE LYS 19 13.712 -7.538 6.348 161 1HZ LYS 19 1HZ LYS 19 11.412 -9.287 6.759 162 2HZ LYS 19 2HZ LYS 19 11.129 -7.623 6.824 163 3HZ LYS 19 3HZ LYS 19 12.254 -8.329 7.870 164 H MET 20 H MET 20 9.617 -11.342 2.973 165 HA MET 20 HA MET 20 6.872 -10.846 2.516 166 1HB MET 20 2HB MET 20 7.839 -12.658 4.697 167 2HB MET 20 1HB MET 20 6.460 -12.854 3.626 168 1HG MET 20 2HG MET 20 8.849 -12.801 2.063 169 2HG MET 20 1HG MET 20 9.044 -13.955 3.379 170 1HE MET 20 1HE MET 20 8.449 -13.360 0.165 171 2HE MET 20 2HE MET 20 6.777 -13.727 -0.275 172 3HE MET 20 3HE MET 20 8.017 -14.975 -0.396 173 H PHE 21 H PHE 21 5.222 -10.324 3.966 174 HA PHE 21 HA PHE 21 5.726 -9.518 6.652 175 1HB PHE 21 2HB PHE 21 6.009 -7.294 6.473 176 2HB PHE 21 1HB PHE 21 6.378 -7.596 4.781 177 HD1 PHE 21 1HD PHE 21 3.960 -7.958 3.414 178 HD2 PHE 21 2HD PHE 21 4.704 -5.455 6.776 179 HE1 PHE 21 1HE PHE 21 2.076 -6.518 2.756 180 HE2 PHE 21 2HE PHE 21 2.822 -4.014 6.125 181 HZ PHE 21 HZ PHE 21 1.503 -4.545 4.114 182 H THR 22 H THR 22 3.631 -8.148 7.391 183 HA THR 22 HA THR 22 1.375 -9.792 6.509 184 HB THR 22 HB THR 22 0.468 -8.344 8.664 185 HG1 THR 22 1HG THR 22 3.178 -9.006 9.162 186 1HG2 THR 22 1HG2 THR 22 -0.003 -10.529 8.928 187 2HG2 THR 22 2HG2 THR 22 1.424 -10.467 9.961 188 3HG2 THR 22 3HG2 THR 22 1.560 -11.057 8.305 189 H GLY 23 H GLY 23 -0.257 -9.015 5.360 190 1HA GLY 23 2HA GLY 23 -0.672 -6.094 5.269 191 2HA GLY 23 1HA GLY 23 -0.628 -7.046 3.791 192 H LEU 24 H LEU 24 -2.842 -5.842 3.748 193 HA LEU 24 HA LEU 24 -4.828 -7.625 4.973 194 1HB LEU 24 2HB LEU 24 -6.230 -5.324 4.510 195 2HB LEU 24 1HB LEU 24 -5.576 -5.835 6.048 196 HG LEU 24 HG LEU 24 -5.103 -3.481 5.576 197 1HD1 LEU 24 1HD1 LEU 24 -3.242 -5.458 6.378 198 2HD1 LEU 24 2HD1 LEU 24 -3.327 -3.763 6.856 199 3HD1 LEU 24 3HD1 LEU 24 -2.375 -4.235 5.449 200 1HD2 LEU 24 1HD2 LEU 24 -4.248 -2.705 3.668 201 2HD2 LEU 24 2HD2 LEU 24 -4.675 -4.276 2.996 202 3HD2 LEU 24 3HD2 LEU 24 -3.038 -3.982 3.579 203 H ILE 25 H ILE 25 -6.008 -8.729 3.586 204 HA ILE 25 HA ILE 25 -6.180 -7.783 0.806 205 HB ILE 25 HB ILE 25 -6.727 -10.576 1.805 206 1HG1 ILE 25 2HG1 ILE 25 -4.375 -9.875 2.219 207 2HG1 ILE 25 1HG1 ILE 25 -4.509 -11.184 1.049 208 1HG2 ILE 25 1HG2 ILE 25 -5.980 -9.852 -0.991 209 2HG2 ILE 25 2HG2 ILE 25 -7.640 -9.620 -0.442 210 3HG2 ILE 25 3HG2 ILE 25 -6.912 -11.225 -0.394 211 1HD1 ILE 25 1HD1 ILE 25 -4.535 -8.572 -0.207 212 2HD1 ILE 25 2HD1 ILE 25 -3.530 -9.982 -0.539 213 3HD1 ILE 25 3HD1 ILE 25 -3.078 -8.859 0.743 214 H ASN 26 H ASN 26 -8.047 -6.940 0.196 215 HA ASN 26 HA ASN 26 -10.497 -7.754 1.616 216 1HB ASN 26 2HB ASN 26 -11.278 -5.474 0.450 217 2HB ASN 26 1HB ASN 26 -10.514 -5.512 2.036 218 1HD2 ASN 26 1HD2 ASN 26 -9.712 -5.292 -1.409 219 2HD2 ASN 26 2HD2 ASN 26 -8.403 -4.181 -1.209 220 H THR 27 H THR 27 -11.353 -9.338 0.409 221 HA THR 27 HA THR 27 -11.147 -9.817 -2.271 222 HB THR 27 HB THR 27 -12.196 -11.322 -0.603 223 HG1 THR 27 1HG THR 27 -12.717 -12.139 -2.472 224 1HG2 THR 27 1HG2 THR 27 -14.885 -10.260 -1.006 225 2HG2 THR 27 2HG2 THR 27 -13.857 -9.266 0.025 226 3HG2 THR 27 3HG2 THR 27 -14.136 -10.959 0.430 227 H GLY 28 H GLY 28 -13.045 -7.354 -0.733 228 1HA GLY 28 2HA GLY 28 -14.263 -6.687 -3.339 229 2HA GLY 28 1HA GLY 28 -14.981 -6.288 -1.785 230 H ALA 29 H ALA 29 -12.021 -5.717 -3.679 231 HA ALA 29 HA ALA 29 -11.574 -3.202 -2.300 232 1HB ALA 29 1HB ALA 29 -9.803 -3.589 -4.525 233 2HB ALA 29 2HB ALA 29 -9.920 -5.071 -3.573 234 3HB ALA 29 3HB ALA 29 -9.445 -3.562 -2.798 235 H ASP 30 H ASP 30 -11.278 -1.210 -3.421 236 HA ASP 30 HA ASP 30 -12.421 -0.972 -6.084 237 1HB ASP 30 2HB ASP 30 -13.920 0.905 -5.291 238 2HB ASP 30 1HB ASP 30 -14.410 -0.714 -4.802 239 H VAL 31 H VAL 31 -10.854 0.532 -3.312 240 HA VAL 31 HA VAL 31 -9.473 2.340 -5.171 241 HB VAL 31 HB VAL 31 -11.215 3.513 -3.776 242 1HG1 VAL 31 1HG1 VAL 31 -10.850 2.189 -1.716 243 2HG1 VAL 31 2HG1 VAL 31 -10.785 3.932 -1.446 244 3HG1 VAL 31 3HG1 VAL 31 -9.293 2.993 -1.513 245 1HG2 VAL 31 1HG2 VAL 31 -9.203 5.120 -2.844 246 2HG2 VAL 31 2HG2 VAL 31 -9.863 5.147 -4.479 247 3HG2 VAL 31 3HG2 VAL 31 -8.406 4.216 -4.132 248 H THR 32 H THR 32 -7.335 2.254 -5.068 249 HA THR 32 HA THR 32 -6.047 0.534 -3.132 250 HB THR 32 HB THR 32 -4.155 1.848 -4.806 251 HG1 THR 32 1HG THR 32 -5.341 2.240 -6.486 252 1HG2 THR 32 1HG2 THR 32 -5.046 -0.840 -5.571 253 2HG2 THR 32 2HG2 THR 32 -4.492 -0.654 -3.907 254 3HG2 THR 32 3HG2 THR 32 -3.427 -0.222 -5.246 255 H ILE 33 H ILE 33 -5.608 1.313 -1.237 256 HA ILE 33 HA ILE 33 -4.177 3.869 -1.049 257 HB ILE 33 HB ILE 33 -6.043 3.200 1.155 258 1HG1 ILE 33 2HG1 ILE 33 -7.419 2.952 -0.896 259 2HG1 ILE 33 1HG1 ILE 33 -7.917 4.323 0.090 260 1HG2 ILE 33 1HG2 ILE 33 -4.571 5.052 1.459 261 2HG2 ILE 33 2HG2 ILE 33 -6.200 5.687 1.232 262 3HG2 ILE 33 3HG2 ILE 33 -5.038 5.746 -0.093 263 1HD1 ILE 33 1HD1 ILE 33 -5.999 5.263 -1.751 264 2HD1 ILE 33 2HD1 ILE 33 -7.721 5.632 -1.676 265 3HD1 ILE 33 3HD1 ILE 33 -7.151 4.270 -2.641 266 H ILE 34 H ILE 34 -2.501 3.884 0.325 267 HA ILE 34 HA ILE 34 -2.218 1.705 2.253 268 HB ILE 34 HB ILE 34 -0.804 1.724 -0.155 269 1HG1 ILE 34 2HG1 ILE 34 0.486 -0.125 0.923 270 2HG1 ILE 34 1HG1 ILE 34 -0.224 0.332 2.465 271 1HG2 ILE 34 1HG2 ILE 34 0.935 2.719 2.093 272 2HG2 ILE 34 2HG2 ILE 34 0.699 3.448 0.500 273 3HG2 ILE 34 3HG2 ILE 34 1.574 1.924 0.651 274 1HD1 ILE 34 1HD1 ILE 34 -1.510 -1.460 1.729 275 2HD1 ILE 34 2HD1 ILE 34 -1.557 -0.864 0.069 276 3HD1 ILE 34 3HD1 ILE 34 -2.477 -0.043 1.330 277 H LYS 35 H LYS 35 -2.097 2.708 4.129 278 HA LYS 35 HA LYS 35 -1.706 5.339 4.628 279 1HB LYS 35 2HB LYS 35 -0.748 4.371 6.942 280 2HB LYS 35 1HB LYS 35 -2.445 4.364 6.512 281 1HG LYS 35 2HG LYS 35 -1.661 2.245 7.488 282 2HG LYS 35 1HG LYS 35 -2.372 2.077 5.885 283 1HD LYS 35 2HD LYS 35 -0.033 2.127 4.958 284 2HD LYS 35 1HD LYS 35 0.546 2.020 6.624 285 1HE LYS 35 2HE LYS 35 0.010 -0.155 6.801 286 2HE LYS 35 1HE LYS 35 -1.512 0.054 5.933 287 1HZ LYS 35 1HZ LYS 35 0.780 -1.134 4.985 288 2HZ LYS 35 2HZ LYS 35 0.715 0.358 4.190 289 3HZ LYS 35 3HZ LYS 35 -0.588 -0.715 4.085 290 H LEU 36 H LEU 36 0.001 6.451 5.818 291 HA LEU 36 HA LEU 36 2.428 6.344 4.326 292 1HB LEU 36 2HB LEU 36 1.074 8.203 5.924 293 2HB LEU 36 1HB LEU 36 2.608 7.930 6.727 294 HG LEU 36 HG LEU 36 3.088 8.266 3.923 295 1HD1 LEU 36 1HD1 LEU 36 0.796 9.554 4.471 296 2HD1 LEU 36 2HD1 LEU 36 1.979 10.117 3.291 297 3HD1 LEU 36 3HD1 LEU 36 1.963 10.798 4.918 298 1HD2 LEU 36 1HD2 LEU 36 4.827 9.439 4.715 299 2HD2 LEU 36 2HD2 LEU 36 4.300 8.878 6.301 300 3HD2 LEU 36 3HD2 LEU 36 3.800 10.465 5.717 301 H GLU 37 H GLU 37 1.402 5.109 7.407 302 HA GLU 37 HA GLU 37 3.803 4.813 8.745 303 1HB GLU 37 2HB GLU 37 1.352 3.060 8.723 304 2HB GLU 37 1HB GLU 37 2.702 2.802 9.820 305 1HG GLU 37 2HG GLU 37 2.323 4.827 10.938 306 2HG GLU 37 1HG GLU 37 1.265 5.427 9.663 307 H ASP 38 H ASP 38 2.703 3.144 5.927 308 HA ASP 38 HA ASP 38 4.912 1.212 6.193 309 1HB ASP 38 2HB ASP 38 2.171 0.880 5.437 310 2HB ASP 38 1HB ASP 38 3.188 0.456 4.065 311 H TRP 39 H TRP 39 4.977 4.034 5.157 312 HA TRP 39 HA TRP 39 5.735 3.538 2.366 313 1HB TRP 39 2HB TRP 39 4.643 5.469 2.027 314 2HB TRP 39 1HB TRP 39 4.514 5.766 3.757 315 HD1 TRP 39 HD TRP 39 6.549 6.725 0.693 316 HE1 TRP 39 1HE TRP 39 8.139 8.653 1.305 317 HE3 TRP 39 3HE TRP 39 5.848 6.790 5.758 318 HZ2 TRP 39 2HZ TRP 39 8.973 10.030 3.626 319 HZ3 TRP 39 3HZ TRP 39 7.075 8.443 7.099 320 HH2 TRP 39 HH TRP 39 8.608 10.030 6.053 321 HA PRO 40 HA PRO 40 10.088 3.625 3.064 322 1HB PRO 40 2HB PRO 40 10.188 5.607 0.844 323 2HB PRO 40 1HB PRO 40 11.075 4.090 1.041 324 1HG PRO 40 2HG PRO 40 9.034 4.259 -0.657 325 2HG PRO 40 1HG PRO 40 9.299 2.809 0.319 326 1HD PRO 40 2HD PRO 40 7.279 4.969 0.656 327 2HD PRO 40 1HD PRO 40 7.132 3.230 0.967 328 HA PRO 41 HA PRO 41 10.143 7.547 5.387 329 1HB PRO 41 2HB PRO 41 11.909 6.733 7.265 330 2HB PRO 41 1HB PRO 41 10.195 6.308 7.328 331 1HG PRO 41 2HG PRO 41 12.518 4.676 6.377 332 2HG PRO 41 1HG PRO 41 11.140 4.183 7.380 333 1HD PRO 41 2HD PRO 41 11.294 3.673 4.710 334 2HD PRO 41 1HD PRO 41 9.757 3.912 5.562 335 H ASN 42 H ASN 42 12.466 5.844 3.609 336 HA ASN 42 HA ASN 42 14.819 7.262 4.116 337 1HB ASN 42 2HB ASN 42 14.335 5.124 2.667 338 2HB ASN 42 1HB ASN 42 14.155 6.293 1.363 339 1HD2 ASN 42 1HD2 ASN 42 16.241 4.205 2.505 340 2HD2 ASN 42 2HD2 ASN 42 17.738 5.011 2.202 341 H TRP 43 H TRP 43 12.157 7.905 1.866 342 HA TRP 43 HA TRP 43 13.286 10.600 1.463 343 1HB TRP 43 2HB TRP 43 12.579 10.588 -0.837 344 2HB TRP 43 1HB TRP 43 13.536 9.138 -0.552 345 HD1 TRP 43 HD TRP 43 9.774 10.102 -0.630 346 HE1 TRP 43 1HE TRP 43 8.473 8.121 -1.630 347 HE3 TRP 43 3HE TRP 43 13.640 6.814 -1.253 348 HZ2 TRP 43 2HZ TRP 43 9.004 5.528 -2.552 349 HZ3 TRP 43 3HZ TRP 43 13.151 4.597 -2.205 350 HH2 TRP 43 HH TRP 43 10.876 3.973 -2.840 351 HA PRO 44 HA PRO 44 9.341 12.108 2.775 352 1HB PRO 44 2HB PRO 44 9.324 14.547 1.617 353 2HB PRO 44 1HB PRO 44 10.381 14.157 2.979 354 1HG PRO 44 2HG PRO 44 11.017 14.263 0.055 355 2HG PRO 44 1HG PRO 44 11.964 14.865 1.429 356 1HD PRO 44 2HD PRO 44 12.491 12.504 0.180 357 2HD PRO 44 1HD PRO 44 12.835 12.791 1.898 358 H ILE 45 H ILE 45 7.219 12.394 2.068 359 HA ILE 45 HA ILE 45 6.759 12.227 -0.831 360 HB ILE 45 HB ILE 45 4.808 10.674 -0.262 361 1HG1 ILE 45 2HG1 ILE 45 5.551 9.202 1.788 362 2HG1 ILE 45 1HG1 ILE 45 6.325 10.687 2.319 363 1HG2 ILE 45 1HG2 ILE 45 6.554 9.757 -1.506 364 2HG2 ILE 45 2HG2 ILE 45 6.378 8.669 -0.129 365 3HG2 ILE 45 3HG2 ILE 45 7.688 9.853 -0.157 366 1HD1 ILE 45 1HD1 ILE 45 3.468 10.734 1.497 367 2HD1 ILE 45 2HD1 ILE 45 4.329 11.760 2.645 368 3HD1 ILE 45 3HD1 ILE 45 3.918 10.102 3.076 369 H THR 46 H THR 46 4.315 12.403 -1.262 370 HA THR 46 HA THR 46 3.446 14.944 -0.376 371 HB THR 46 HB THR 46 1.223 13.948 -1.529 372 HG1 THR 46 1HG THR 46 2.633 11.903 -1.693 373 1HG2 THR 46 1HG2 THR 46 3.588 14.600 -3.244 374 2HG2 THR 46 2HG2 THR 46 2.735 15.828 -2.311 375 3HG2 THR 46 3HG2 THR 46 1.882 14.912 -3.555 376 H ASP 47 H ASP 47 0.880 15.004 0.299 377 HA ASP 47 HA ASP 47 -0.522 13.422 1.846 378 1HB ASP 47 2HB ASP 47 1.317 12.606 3.170 379 2HB ASP 47 1HB ASP 47 1.897 14.246 3.464 380 H THR 48 H THR 48 1.437 16.217 2.685 381 HA THR 48 HA THR 48 -0.991 17.857 2.925 382 HB THR 48 HB THR 48 -0.317 17.459 5.170 383 HG1 THR 48 1HG THR 48 0.855 19.937 4.460 384 1HG2 THR 48 1HG2 THR 48 2.278 18.549 5.364 385 2HG2 THR 48 2HG2 THR 48 2.312 17.301 4.118 386 3HG2 THR 48 3HG2 THR 48 1.741 16.912 5.740 387 H LEU 49 H LEU 49 -0.913 19.130 1.243 388 HA LEU 49 HA LEU 49 1.611 20.312 0.359 389 1HB LEU 49 2HB LEU 49 0.273 19.201 -1.304 390 2HB LEU 49 1HB LEU 49 -1.122 20.165 -0.905 391 HG LEU 49 HG LEU 49 0.030 22.163 -1.803 392 1HD1 LEU 49 1HD1 LEU 49 2.332 20.752 -1.436 393 2HD1 LEU 49 2HD1 LEU 49 2.186 22.204 -2.426 394 3HD1 LEU 49 3HD1 LEU 49 2.098 20.611 -3.178 395 1HD2 LEU 49 1HD2 LEU 49 -1.088 20.041 -3.222 396 2HD2 LEU 49 2HD2 LEU 49 0.354 20.498 -4.129 397 3HD2 LEU 49 3HD2 LEU 49 -0.882 21.704 -3.771 398 H THR 50 H THR 50 1.132 22.683 -0.599 399 HA THR 50 HA THR 50 0.065 24.208 1.670 400 HB THR 50 HB THR 50 1.717 25.556 -0.392 401 HG1 THR 50 1HG THR 50 2.847 23.622 -0.157 402 1HG2 THR 50 1HG2 THR 50 2.535 25.713 2.393 403 2HG2 THR 50 2HG2 THR 50 0.871 26.230 2.119 404 3HG2 THR 50 3HG2 THR 50 2.190 26.994 1.232 405 H ASN 51 H ASN 51 -1.713 25.375 1.431 406 HA ASN 51 HA ASN 51 -2.518 26.272 -1.245 407 1HB ASN 51 2HB ASN 51 -3.835 24.243 -0.435 408 2HB ASN 51 1HB ASN 51 -4.464 25.273 0.841 409 1HD2 ASN 51 1HD2 ASN 51 -6.048 23.997 -1.079 410 2HD2 ASN 51 2HD2 ASN 51 -6.802 25.208 -2.054 411 H LEU 52 H LEU 52 -1.532 28.271 -0.527 412 HA LEU 52 HA LEU 52 -2.742 29.572 1.754 413 1HB LEU 52 2HB LEU 52 -0.472 30.171 -0.076 414 2HB LEU 52 1HB LEU 52 -1.206 31.480 0.810 415 HG LEU 52 HG LEU 52 0.608 30.857 2.127 416 1HD1 LEU 52 1HD1 LEU 52 -1.456 31.059 3.414 417 2HD1 LEU 52 2HD1 LEU 52 -0.288 29.967 4.156 418 3HD1 LEU 52 3HD1 LEU 52 -1.682 29.313 3.296 419 1HD2 LEU 52 1HD2 LEU 52 0.568 28.510 0.802 420 2HD2 LEU 52 2HD2 LEU 52 -0.018 27.999 2.385 421 3HD2 LEU 52 3HD2 LEU 52 1.541 28.813 2.241 422 H ARG 53 H ARG 53 -4.596 30.571 1.595 423 HA ARG 53 HA ARG 53 -5.578 31.512 -0.950 424 1HB ARG 53 2HB ARG 53 -6.734 30.961 1.687 425 2HB ARG 53 1HB ARG 53 -7.428 32.356 0.879 426 1HG ARG 53 2HG ARG 53 -8.377 31.108 -0.760 427 2HG ARG 53 1HG ARG 53 -7.109 29.882 -0.714 428 1HD ARG 53 2HD ARG 53 -8.425 29.816 1.785 429 2HD ARG 53 1HD ARG 53 -9.673 29.870 0.540 430 HE ARG 53 HE ARG 53 -7.525 27.926 0.208 431 1HH1 ARG 53 1HH1 ARG 53 -10.837 28.554 1.132 432 2HH1 ARG 53 2HH1 ARG 53 -11.321 26.899 0.978 433 1HH2 ARG 53 1HH2 ARG 53 -8.166 25.752 0.010 434 2HH2 ARG 53 2HH2 ARG 53 -9.808 25.311 0.344 435 H GLY 54 H GLY 54 -3.305 32.819 0.777 436 1HA GLY 54 2HA GLY 54 -2.492 34.994 0.839 437 2HA GLY 54 1HA GLY 54 -3.951 35.520 0.014 438 H ILE 55 H ILE 55 -5.942 35.099 1.434 439 HA ILE 55 HA ILE 55 -5.441 36.330 4.043 440 HB ILE 55 HB ILE 55 -7.981 36.768 3.936 441 1HG1 ILE 55 2HG1 ILE 55 -7.389 36.132 1.042 442 2HG1 ILE 55 1HG1 ILE 55 -8.589 35.371 2.075 443 1HG2 ILE 55 1HG2 ILE 55 -6.389 38.295 1.902 444 2HG2 ILE 55 2HG2 ILE 55 -6.042 38.404 3.628 445 3HG2 ILE 55 3HG2 ILE 55 -7.624 38.889 3.014 446 1HD1 ILE 55 1HD1 ILE 55 -9.984 36.749 1.002 447 2HD1 ILE 55 2HD1 ILE 55 -8.695 37.863 0.547 448 3HD1 ILE 55 3HD1 ILE 55 -9.398 37.941 2.163 449 H GLY 56 H GLY 56 -6.201 33.487 2.453 450 1HA GLY 56 2HA GLY 56 -7.343 32.332 4.925 451 2HA GLY 56 1HA GLY 56 -7.830 31.812 3.320 452 H GLN 57 H GLN 57 -4.652 32.361 4.878 453 HA GLN 57 HA GLN 57 -3.166 30.541 3.585 454 1HB GLN 57 2HB GLN 57 -1.786 30.345 5.644 455 2HB GLN 57 1HB GLN 57 -2.202 32.006 5.242 456 1HG GLN 57 2HG GLN 57 -4.206 31.543 6.884 457 2HG GLN 57 1HG GLN 57 -3.106 30.316 7.507 458 1HE2 GLN 57 1HE2 GLN 57 -1.489 30.915 8.813 459 2HE2 GLN 57 2HE2 GLN 57 -1.101 32.548 9.221 460 H SER 58 H SER 58 -4.168 28.675 2.981 461 HA SER 58 HA SER 58 -4.827 26.764 5.122 462 1HB SER 58 2HB SER 58 -6.753 27.404 3.684 463 2HB SER 58 1HB SER 58 -5.877 26.789 2.283 464 HG SER 58 HG SER 58 -6.478 24.854 2.818 465 H ASN 59 H ASN 59 -4.693 24.408 4.139 466 HA ASN 59 HA ASN 59 -2.060 24.167 2.840 467 1HB ASN 59 2HB ASN 59 -3.356 22.502 4.989 468 2HB ASN 59 1HB ASN 59 -2.008 21.897 4.032 469 1HD2 ASN 59 1HD2 ASN 59 -0.569 21.784 5.698 470 2HD2 ASN 59 2HD2 ASN 59 0.062 23.174 6.505 471 H ASN 60 H ASN 60 -2.002 23.155 0.922 472 HA ASN 60 HA ASN 60 -4.374 22.169 -0.282 473 1HB ASN 60 2HB ASN 60 -1.753 22.846 -1.161 474 2HB ASN 60 1HB ASN 60 -2.085 21.203 -1.687 475 1HD2 ASN 60 1HD2 ASN 60 -2.813 21.130 -3.663 476 2HD2 ASN 60 2HD2 ASN 60 -3.893 22.261 -4.398 477 HA PRO 61 HA PRO 61 -3.940 17.841 0.688 478 1HB PRO 61 2HB PRO 61 -5.757 16.921 -0.950 479 2HB PRO 61 1HB PRO 61 -6.178 18.277 0.107 480 1HG PRO 61 2HG PRO 61 -5.546 18.279 -2.816 481 2HG PRO 61 1HG PRO 61 -6.705 19.277 -1.918 482 1HD PRO 61 2HD PRO 61 -3.992 19.949 -2.626 483 2HD PRO 61 1HD PRO 61 -5.139 20.905 -1.659 484 H LYS 62 H LYS 62 -2.245 16.449 0.286 485 HA LYS 62 HA LYS 62 -2.116 15.251 -2.367 486 1HB LYS 62 2HB LYS 62 0.378 16.262 -1.002 487 2HB LYS 62 1HB LYS 62 0.303 15.351 -2.501 488 1HG LYS 62 2HG LYS 62 -0.949 17.169 -3.548 489 2HG LYS 62 1HG LYS 62 -0.816 18.095 -2.051 490 1HD LYS 62 2HD LYS 62 1.019 18.943 -3.101 491 2HD LYS 62 1HD LYS 62 1.776 17.493 -2.446 492 1HE LYS 62 2HE LYS 62 2.418 17.488 -4.686 493 2HE LYS 62 1HE LYS 62 1.053 16.373 -4.640 494 1HZ LYS 62 1HZ LYS 62 0.576 17.688 -6.453 495 2HZ LYS 62 2HZ LYS 62 1.179 19.099 -5.743 496 3HZ LYS 62 3HZ LYS 62 -0.305 18.465 -5.235 497 H GLN 63 H GLN 63 -0.694 13.289 -2.323 498 HA GLN 63 HA GLN 63 -0.152 12.073 0.210 499 1HB GLN 63 2HB GLN 63 -1.762 10.077 -0.852 500 2HB GLN 63 1HB GLN 63 -2.138 11.096 0.525 501 1HG GLN 63 2HG GLN 63 -2.800 12.376 -1.994 502 2HG GLN 63 1HG GLN 63 -3.618 10.832 -1.782 503 1HE2 GLN 63 1HE2 GLN 63 -5.605 11.223 -1.127 504 2HE2 GLN 63 2HE2 GLN 63 -6.063 12.315 0.130 505 H SER 64 H SER 64 1.223 10.319 0.042 506 HA SER 64 HA SER 64 2.854 10.177 -2.216 507 1HB SER 64 2HB SER 64 3.162 9.262 0.266 508 2HB SER 64 1HB SER 64 2.706 7.753 -0.516 509 HG SER 64 HG SER 64 4.457 7.844 -1.785 510 H SER 65 H SER 65 3.134 8.733 -3.856 511 HA SER 65 HA SER 65 0.804 7.048 -4.485 512 1HB SER 65 2HB SER 65 2.623 8.546 -6.385 513 2HB SER 65 1HB SER 65 1.311 7.470 -6.872 514 HG SER 65 HG SER 65 1.040 9.837 -5.325 515 H LYS 66 H LYS 66 4.195 7.123 -4.025 516 HA LYS 66 HA LYS 66 5.602 5.490 -5.407 517 1HB LYS 66 2HB LYS 66 6.201 6.106 -3.098 518 2HB LYS 66 1HB LYS 66 5.138 4.843 -2.495 519 1HG LYS 66 2HG LYS 66 7.450 4.113 -2.460 520 2HG LYS 66 1HG LYS 66 6.514 3.153 -3.606 521 1HD LYS 66 2HD LYS 66 7.707 5.512 -4.829 522 2HD LYS 66 1HD LYS 66 8.909 4.433 -4.119 523 1HE LYS 66 2HE LYS 66 8.676 2.977 -5.780 524 2HE LYS 66 1HE LYS 66 6.928 2.922 -5.555 525 1HZ LYS 66 1HZ LYS 66 8.517 4.601 -7.366 526 2HZ LYS 66 2HZ LYS 66 7.037 5.189 -6.800 527 3HZ LYS 66 3HZ LYS 66 7.092 3.741 -7.671 528 H TYR 67 H TYR 67 5.354 3.742 -6.611 529 HA TYR 67 HA TYR 67 3.111 2.046 -6.414 530 1HB TYR 67 2HB TYR 67 5.689 1.861 -7.953 531 2HB TYR 67 1HB TYR 67 4.510 0.549 -7.976 532 HD1 TYR 67 1HD TYR 67 2.464 0.734 -9.151 533 HD2 TYR 67 2HD TYR 67 5.120 4.045 -8.950 534 HE1 TYR 67 1HE TYR 67 1.193 1.847 -10.924 535 HE2 TYR 67 2HE TYR 67 3.858 5.174 -10.732 536 HH TYR 67 HH TYR 67 1.642 5.139 -11.727 537 H LEU 68 H LEU 68 2.775 0.786 -4.747 538 HA LEU 68 HA LEU 68 4.977 -0.474 -3.338 539 1HB LEU 68 2HB LEU 68 2.732 0.475 -2.356 540 2HB LEU 68 1HB LEU 68 2.101 -1.100 -2.802 541 HG LEU 68 HG LEU 68 3.765 -2.191 -1.378 542 1HD1 LEU 68 1HD1 LEU 68 4.812 0.564 -1.206 543 2HD1 LEU 68 2HD1 LEU 68 5.662 -0.981 -1.180 544 3HD1 LEU 68 3HD1 LEU 68 4.856 -0.392 0.275 545 1HD2 LEU 68 1HD2 LEU 68 2.648 -0.163 0.457 546 2HD2 LEU 68 2HD2 LEU 68 2.557 -1.923 0.514 547 3HD2 LEU 68 3HD2 LEU 68 1.499 -1.020 -0.570 548 H THR 69 H THR 69 5.851 -2.231 -4.139 549 HA THR 69 HA THR 69 4.334 -3.953 -5.898 550 HB THR 69 HB THR 69 6.700 -5.198 -5.758 551 HG1 THR 69 1HG THR 69 8.310 -3.574 -5.517 552 1HG2 THR 69 1HG2 THR 69 7.490 -3.886 -7.634 553 2HG2 THR 69 2HG2 THR 69 6.295 -2.637 -7.286 554 3HG2 THR 69 3HG2 THR 69 5.771 -4.240 -7.802 555 H TRP 70 H TRP 70 3.285 -5.667 -5.248 556 HA TRP 70 HA TRP 70 4.137 -7.033 -2.806 557 1HB TRP 70 2HB TRP 70 1.891 -5.560 -2.858 558 2HB TRP 70 1HB TRP 70 1.249 -7.073 -3.478 559 HD1 TRP 70 HD TRP 70 3.955 -7.816 -1.075 560 HE1 TRP 70 1HE TRP 70 2.986 -8.481 1.209 561 HE3 TRP 70 3HE TRP 70 -0.885 -6.334 -1.792 562 HZ2 TRP 70 2HZ TRP 70 0.497 -8.383 2.538 563 HZ3 TRP 70 3HZ TRP 70 -2.498 -6.654 0.038 564 HH2 TRP 70 HH TRP 70 -1.819 -7.659 2.158 565 H ARG 71 H ARG 71 4.316 -9.173 -2.974 566 HA ARG 71 HA ARG 71 2.955 -10.623 -5.063 567 1HB ARG 71 2HB ARG 71 5.478 -11.616 -5.454 568 2HB ARG 71 1HB ARG 71 4.653 -10.494 -6.511 569 1HG ARG 71 2HG ARG 71 5.959 -9.051 -4.405 570 2HG ARG 71 1HG ARG 71 7.094 -10.144 -5.191 571 1HD ARG 71 2HD ARG 71 6.864 -7.792 -6.151 572 2HD ARG 71 1HD ARG 71 6.795 -9.141 -7.279 573 HE ARG 71 HE ARG 71 4.529 -7.489 -6.408 574 1HH1 ARG 71 1HH1 ARG 71 5.833 -9.944 -8.534 575 2HH1 ARG 71 2HH1 ARG 71 4.483 -9.894 -9.615 576 1HH2 ARG 71 1HH2 ARG 71 2.760 -7.438 -7.831 577 2HH2 ARG 71 2HH2 ARG 71 2.741 -8.476 -9.216 578 H ASP 72 H ASP 72 2.820 -12.816 -4.662 579 HA ASP 72 HA ASP 72 3.323 -13.576 -1.935 580 1HB ASP 72 2HB ASP 72 1.266 -14.277 -3.196 581 2HB ASP 72 1HB ASP 72 2.292 -15.282 -4.216 582 H LYS 73 H LYS 73 4.455 -15.600 -1.445 583 HA LYS 73 HA LYS 73 7.065 -15.662 -1.931 584 1HB LYS 73 2HB LYS 73 5.352 -17.276 -0.632 585 2HB LYS 73 1HB LYS 73 5.836 -18.339 -1.936 586 1HG LYS 73 2HG LYS 73 8.238 -17.375 -1.123 587 2HG LYS 73 1HG LYS 73 7.332 -17.400 0.390 588 1HD LYS 73 2HD LYS 73 6.873 -19.823 -1.095 589 2HD LYS 73 1HD LYS 73 8.604 -19.554 -0.881 590 1HE LYS 73 2HE LYS 73 8.512 -19.934 1.331 591 2HE LYS 73 1HE LYS 73 6.992 -19.060 1.516 592 1HZ LYS 73 1HZ LYS 73 6.828 -21.462 2.005 593 2HZ LYS 73 2HZ LYS 73 7.212 -21.799 0.392 594 3HZ LYS 73 3HZ LYS 73 5.788 -20.965 0.767 595 H GLU 74 H GLU 74 4.637 -16.823 -4.170 596 HA GLU 74 HA GLU 74 6.488 -18.173 -5.891 597 1HB GLU 74 2HB GLU 74 3.854 -18.382 -5.638 598 2HB GLU 74 1HB GLU 74 3.872 -17.164 -6.905 599 1HG GLU 74 2HG GLU 74 3.720 -19.190 -8.040 600 2HG GLU 74 1HG GLU 74 5.419 -18.739 -8.170 601 H ASN 75 H ASN 75 6.543 -15.093 -5.148 602 HA ASN 75 HA ASN 75 7.379 -13.222 -6.110 603 1HB ASN 75 2HB ASN 75 8.866 -15.072 -7.201 604 2HB ASN 75 1HB ASN 75 7.938 -14.709 -8.654 605 1HD2 ASN 75 1HD2 ASN 75 8.796 -13.251 -9.928 606 2HD2 ASN 75 2HD2 ASN 75 9.863 -11.977 -9.453 607 H ASN 76 H ASN 76 4.656 -13.415 -6.202 608 HA ASN 76 HA ASN 76 3.955 -11.565 -8.166 609 1HB ASN 76 2HB ASN 76 2.498 -13.011 -9.628 610 2HB ASN 76 1HB ASN 76 4.230 -13.232 -9.851 611 1HD2 ASN 76 1HD2 ASN 76 4.884 -15.247 -9.954 612 2HD2 ASN 76 2HD2 ASN 76 4.089 -16.618 -9.266 613 H SER 77 H SER 77 1.890 -10.764 -7.920 614 HA SER 77 HA SER 77 -0.307 -12.055 -6.843 615 1HB SER 77 2HB SER 77 1.596 -11.514 -4.824 616 2HB SER 77 1HB SER 77 0.267 -10.388 -4.583 617 HG SER 77 HG SER 77 -0.585 -12.071 -3.628 618 H GLY 78 H GLY 78 1.419 -8.927 -6.735 619 1HA GLY 78 2HA GLY 78 -0.228 -7.497 -8.362 620 2HA GLY 78 1HA GLY 78 -1.059 -7.452 -6.816 621 H LEU 79 H LEU 79 0.607 -5.546 -8.670 622 HA LEU 79 HA LEU 79 1.773 -4.076 -6.436 623 1HB LEU 79 2HB LEU 79 3.836 -3.624 -7.661 624 2HB LEU 79 1HB LEU 79 3.645 -5.331 -7.309 625 HG LEU 79 HG LEU 79 2.562 -5.198 -9.800 626 1HD1 LEU 79 1HD1 LEU 79 4.348 -2.884 -9.446 627 2HD1 LEU 79 2HD1 LEU 79 3.029 -3.139 -10.589 628 3HD1 LEU 79 3HD1 LEU 79 4.615 -3.851 -10.897 629 1HD2 LEU 79 1HD2 LEU 79 4.110 -6.766 -10.052 630 2HD2 LEU 79 2HD2 LEU 79 4.860 -6.248 -8.543 631 3HD2 LEU 79 3HD2 LEU 79 5.380 -5.544 -10.075 632 H ILE 80 H ILE 80 1.227 -1.964 -6.544 633 HA ILE 80 HA ILE 80 1.003 -0.613 -9.088 634 HB ILE 80 HB ILE 80 -1.282 0.092 -8.901 635 1HG1 ILE 80 2HG1 ILE 80 -1.555 0.089 -6.485 636 2HG1 ILE 80 1HG1 ILE 80 -2.811 -0.899 -7.220 637 1HG2 ILE 80 1HG2 ILE 80 -0.781 -1.984 -10.121 638 2HG2 ILE 80 2HG2 ILE 80 -2.411 -1.971 -9.448 639 3HG2 ILE 80 3HG2 ILE 80 -1.140 -2.906 -8.663 640 1HD1 ILE 80 1HD1 ILE 80 -0.589 -1.665 -5.444 641 2HD1 ILE 80 2HD1 ILE 80 -0.995 -2.798 -6.733 642 3HD1 ILE 80 3HD1 ILE 80 -2.225 -2.310 -5.568 643 H LYS 81 H LYS 81 -0.229 1.670 -8.538 644 HA LYS 81 HA LYS 81 1.344 2.782 -6.319 645 1HB LYS 81 2HB LYS 81 1.082 4.947 -7.454 646 2HB LYS 81 1HB LYS 81 1.843 3.749 -8.488 647 1HG LYS 81 2HG LYS 81 0.239 3.924 -10.019 648 2HG LYS 81 1HG LYS 81 -1.032 3.763 -8.814 649 1HD LYS 81 2HD LYS 81 0.274 6.336 -8.625 650 2HD LYS 81 1HD LYS 81 -0.352 6.055 -10.249 651 1HE LYS 81 2HE LYS 81 -2.368 6.624 -9.511 652 2HE LYS 81 1HE LYS 81 -2.359 5.184 -8.495 653 1HZ LYS 81 1HZ LYS 81 -2.692 7.530 -7.456 654 2HZ LYS 81 2HZ LYS 81 -1.005 7.606 -7.540 655 3HZ LYS 81 3HZ LYS 81 -1.751 6.375 -6.654 656 HA PRO 82 HA PRO 82 -2.798 3.445 -4.576 657 1HB PRO 82 2HB PRO 82 -2.220 2.851 -2.048 658 2HB PRO 82 1HB PRO 82 -2.336 1.573 -3.266 659 1HG PRO 82 2HG PRO 82 0.083 2.803 -2.033 660 2HG PRO 82 1HG PRO 82 -0.194 1.127 -2.532 661 1HD PRO 82 2HD PRO 82 1.171 3.107 -3.997 662 2HD PRO 82 1HD PRO 82 0.626 1.535 -4.605 663 H PHE 83 H PHE 83 -3.388 4.744 -2.459 664 HA PHE 83 HA PHE 83 -1.828 7.225 -2.536 665 1HB PHE 83 2HB PHE 83 -4.694 6.609 -2.211 666 2HB PHE 83 1HB PHE 83 -4.086 7.869 -1.144 667 HD1 PHE 83 1HD PHE 83 -2.067 9.140 -2.889 668 HD2 PHE 83 2HD PHE 83 -6.002 7.759 -3.744 669 HE1 PHE 83 1HE PHE 83 -2.238 10.771 -4.725 670 HE2 PHE 83 2HE PHE 83 -6.179 9.388 -5.581 671 HZ PHE 83 HZ PHE 83 -4.294 10.896 -6.073 672 H VAL 84 H VAL 84 -0.518 7.609 -0.887 673 HA VAL 84 HA VAL 84 -0.895 6.129 1.576 674 HB VAL 84 HB VAL 84 1.550 7.659 0.775 675 1HG1 VAL 84 1HG1 VAL 84 0.989 6.528 3.099 676 2HG1 VAL 84 2HG1 VAL 84 2.624 6.581 2.426 677 3HG1 VAL 84 3HG1 VAL 84 1.642 5.122 2.258 678 1HG2 VAL 84 1HG2 VAL 84 1.641 6.307 -1.033 679 2HG2 VAL 84 2HG2 VAL 84 0.507 5.146 -0.346 680 3HG2 VAL 84 3HG2 VAL 84 2.202 5.116 0.142 681 H ILE 85 H ILE 85 -1.881 7.145 3.133 682 HA ILE 85 HA ILE 85 -1.262 9.992 3.609 683 HB ILE 85 HB ILE 85 -3.864 8.651 4.346 684 1HG1 ILE 85 2HG1 ILE 85 -3.188 10.318 1.917 685 2HG1 ILE 85 1HG1 ILE 85 -3.718 8.641 1.930 686 1HG2 ILE 85 1HG2 ILE 85 -4.642 10.995 4.563 687 2HG2 ILE 85 2HG2 ILE 85 -2.989 11.532 4.265 688 3HG2 ILE 85 3HG2 ILE 85 -3.358 10.571 5.697 689 1HD1 ILE 85 1HD1 ILE 85 -5.289 10.939 1.685 690 2HD1 ILE 85 2HD1 ILE 85 -5.638 10.276 3.281 691 3HD1 ILE 85 3HD1 ILE 85 -5.834 9.269 1.846 692 HA PRO 86 HA PRO 86 -0.040 8.383 7.557 693 1HB PRO 86 2HB PRO 86 0.508 10.717 8.810 694 2HB PRO 86 1HB PRO 86 1.536 10.042 7.543 695 1HG PRO 86 2HG PRO 86 -0.293 12.348 7.447 696 2HG PRO 86 1HG PRO 86 1.116 11.983 6.442 697 1HD PRO 86 2HD PRO 86 -1.636 11.610 5.798 698 2HD PRO 86 1HD PRO 86 -0.227 11.168 4.821 699 H ASN 87 H ASN 87 -2.802 8.331 7.298 700 HA ASN 87 HA ASN 87 -3.571 8.966 10.027 701 1HB ASN 87 2HB ASN 87 -5.741 9.930 9.277 702 2HB ASN 87 1HB ASN 87 -4.351 10.911 8.829 703 1HD2 ASN 87 1HD2 ASN 87 -6.058 11.761 7.348 704 2HD2 ASN 87 2HD2 ASN 87 -6.214 11.004 5.804 705 H LEU 88 H LEU 88 -3.157 6.605 8.022 706 HA LEU 88 HA LEU 88 -3.951 4.485 7.859 707 1HB LEU 88 2HB LEU 88 -4.443 5.100 10.390 708 2HB LEU 88 1HB LEU 88 -6.107 4.987 9.850 709 HG LEU 88 HG LEU 88 -5.589 2.673 9.012 710 1HD1 LEU 88 1HD1 LEU 88 -2.964 3.386 10.205 711 2HD1 LEU 88 2HD1 LEU 88 -3.334 2.430 8.770 712 3HD1 LEU 88 3HD1 LEU 88 -3.540 1.729 10.374 713 1HD2 LEU 88 1HD2 LEU 88 -6.420 3.500 11.434 714 2HD2 LEU 88 2HD2 LEU 88 -4.984 2.585 11.894 715 3HD2 LEU 88 3HD2 LEU 88 -6.271 1.802 10.976 716 HA PRO 89 HA PRO 89 -7.442 6.015 5.219 717 1HB PRO 89 2HB PRO 89 -6.065 4.482 3.136 718 2HB PRO 89 1HB PRO 89 -6.537 6.183 3.142 719 1HG PRO 89 2HG PRO 89 -3.959 5.416 3.307 720 2HG PRO 89 1HG PRO 89 -4.569 6.866 4.121 721 1HD PRO 89 2HD PRO 89 -4.009 4.149 5.253 722 2HD PRO 89 1HD PRO 89 -3.646 5.751 5.930 723 H VAL 90 H VAL 90 -6.595 3.256 6.669 724 HA VAL 90 HA VAL 90 -8.001 1.499 7.195 725 HB VAL 90 HB VAL 90 -9.231 1.834 4.472 726 1HG1 VAL 90 1HG1 VAL 90 -10.980 0.548 6.255 727 2HG1 VAL 90 2HG1 VAL 90 -9.408 -0.227 6.452 728 3HG1 VAL 90 3HG1 VAL 90 -10.158 -0.148 4.858 729 1HG2 VAL 90 1HG2 VAL 90 -9.569 3.408 6.813 730 2HG2 VAL 90 2HG2 VAL 90 -11.047 2.481 6.552 731 3HG2 VAL 90 3HG2 VAL 90 -10.426 3.525 5.274 732 H ASN 91 H ASN 91 -5.830 2.015 4.730 733 HA ASN 91 HA ASN 91 -4.407 0.689 3.548 734 1HB ASN 91 2HB ASN 91 -4.958 -1.547 5.473 735 2HB ASN 91 1HB ASN 91 -3.440 -1.094 4.711 736 1HD2 ASN 91 1HD2 ASN 91 -3.076 -1.528 7.180 737 2HD2 ASN 91 2HD2 ASN 91 -3.025 -0.101 8.151 738 H LEU 92 H LEU 92 -5.758 0.522 1.711 739 HA LEU 92 HA LEU 92 -7.013 -2.128 1.424 740 1HB LEU 92 2HB LEU 92 -8.046 0.585 0.731 741 2HB LEU 92 1HB LEU 92 -8.398 -0.720 -0.378 742 HG LEU 92 HG LEU 92 -10.031 -0.052 1.618 743 1HD1 LEU 92 1HD1 LEU 92 -11.092 -1.605 0.444 744 2HD1 LEU 92 2HD1 LEU 92 -10.357 -2.803 1.509 745 3HD1 LEU 92 3HD1 LEU 92 -9.581 -2.389 -0.020 746 1HD2 LEU 92 1HD2 LEU 92 -9.816 -1.539 3.502 747 2HD2 LEU 92 2HD2 LEU 92 -8.348 -0.573 3.357 748 3HD2 LEU 92 3HD2 LEU 92 -8.354 -2.251 2.820 749 H TRP 93 H TRP 93 -6.658 -3.195 -0.467 750 HA TRP 93 HA TRP 93 -4.624 -2.021 -2.209 751 1HB TRP 93 2HB TRP 93 -4.847 -4.567 -1.143 752 2HB TRP 93 1HB TRP 93 -5.417 -4.774 -2.791 753 HD1 TRP 93 HD TRP 93 -3.649 -4.813 -4.683 754 HE1 TRP 93 1HE TRP 93 -1.081 -4.646 -4.749 755 HE3 TRP 93 3HE TRP 93 -2.808 -3.323 0.133 756 HZ2 TRP 93 2HZ TRP 93 0.999 -3.957 -3.017 757 HZ3 TRP 93 3HZ TRP 93 -0.485 -2.927 0.848 758 HH2 TRP 93 HH TRP 93 1.382 -3.241 -0.694 759 H GLY 94 H GLY 94 -5.069 -3.025 -4.635 760 1HA GLY 94 2HA GLY 94 -7.694 -1.881 -5.267 761 2HA GLY 94 1HA GLY 94 -6.355 -2.031 -6.371 762 H ARG 95 H ARG 95 -9.109 -2.790 -6.748 763 HA ARG 95 HA ARG 95 -9.774 -5.419 -6.410 764 1HB ARG 95 2HB ARG 95 -10.471 -4.485 -9.100 765 2HB ARG 95 1HB ARG 95 -11.504 -5.027 -7.790 766 1HG ARG 95 2HG ARG 95 -11.235 -2.782 -6.740 767 2HG ARG 95 1HG ARG 95 -10.360 -2.273 -8.187 768 1HD ARG 95 2HD ARG 95 -12.432 -1.604 -8.818 769 2HD ARG 95 1HD ARG 95 -12.531 -3.279 -9.359 770 HE ARG 95 HE ARG 95 -13.445 -3.391 -6.814 771 1HH1 ARG 95 1HH1 ARG 95 -14.286 -1.431 -9.576 772 2HH1 ARG 95 2HH1 ARG 95 -15.940 -1.248 -9.100 773 1HH2 ARG 95 1HH2 ARG 95 -15.621 -3.150 -6.186 774 2HH2 ARG 95 2HH2 ARG 95 -16.699 -2.223 -7.176 775 H ASP 96 H ASP 96 -7.770 -4.127 -9.049 776 HA ASP 96 HA ASP 96 -7.591 -6.399 -10.610 777 1HB ASP 96 2HB ASP 96 -6.497 -3.945 -10.756 778 2HB ASP 96 1HB ASP 96 -5.080 -4.862 -10.257 779 H LEU 97 H LEU 97 -5.500 -5.501 -7.872 780 HA LEU 97 HA LEU 97 -4.015 -7.943 -8.065 781 1HB LEU 97 2HB LEU 97 -4.014 -5.932 -5.822 782 2HB LEU 97 1HB LEU 97 -2.844 -7.210 -6.072 783 HG LEU 97 HG LEU 97 -1.727 -5.352 -6.880 784 1HD1 LEU 97 1HD1 LEU 97 -3.034 -5.967 -9.478 785 2HD1 LEU 97 2HD1 LEU 97 -2.212 -7.275 -8.628 786 3HD1 LEU 97 3HD1 LEU 97 -1.322 -5.819 -9.077 787 1HD2 LEU 97 1HD2 LEU 97 -2.675 -3.444 -7.601 788 2HD2 LEU 97 2HD2 LEU 97 -4.120 -4.132 -6.864 789 3HD2 LEU 97 3HD2 LEU 97 -3.858 -4.283 -8.602 790 H LEU 98 H LEU 98 -6.756 -6.853 -6.121 791 HA LEU 98 HA LEU 98 -6.592 -9.043 -4.296 792 1HB LEU 98 2HB LEU 98 -8.811 -7.138 -5.006 793 2HB LEU 98 1HB LEU 98 -9.085 -8.492 -3.929 794 HG LEU 98 HG LEU 98 -8.670 -6.819 -2.416 795 1HD1 LEU 98 1HD1 LEU 98 -6.705 -7.300 -1.337 796 2HD1 LEU 98 2HD1 LEU 98 -5.782 -7.399 -2.838 797 3HD1 LEU 98 3HD1 LEU 98 -6.869 -8.711 -2.383 798 1HD2 LEU 98 1HD2 LEU 98 -6.438 -5.670 -4.033 799 2HD2 LEU 98 2HD2 LEU 98 -7.380 -4.911 -2.748 800 3HD2 LEU 98 3HD2 LEU 98 -8.118 -5.230 -4.316 801 H SER 99 H SER 99 -7.814 -8.599 -7.486 802 HA SER 99 HA SER 99 -9.545 -10.849 -7.559 803 1HB SER 99 2HB SER 99 -9.267 -8.773 -9.205 804 2HB SER 99 1HB SER 99 -8.190 -9.895 -10.038 805 HG SER 99 HG SER 99 -10.954 -10.112 -9.549 806 H GLN 100 H GLN 100 -6.251 -10.282 -8.758 807 HA GLN 100 HA GLN 100 -5.828 -13.004 -9.483 808 1HB GLN 100 2HB GLN 100 -4.043 -10.635 -9.068 809 2HB GLN 100 1HB GLN 100 -3.369 -12.218 -9.428 810 1HG GLN 100 2HG GLN 100 -3.979 -12.132 -11.586 811 2HG GLN 100 1HG GLN 100 -5.515 -11.341 -11.230 812 1HE2 GLN 100 1HE2 GLN 100 -2.148 -10.429 -10.600 813 2HE2 GLN 100 2HE2 GLN 100 -2.224 -8.910 -11.417 814 H MET 101 H MET 101 -5.160 -11.084 -6.611 815 HA MET 101 HA MET 101 -3.566 -13.059 -5.319 816 1HB MET 101 2HB MET 101 -4.865 -10.507 -4.424 817 2HB MET 101 1HB MET 101 -4.059 -11.562 -3.276 818 1HG MET 101 2HG MET 101 -2.100 -11.398 -5.036 819 2HG MET 101 1HG MET 101 -2.919 -9.893 -5.446 820 1HE MET 101 1HE MET 101 -1.485 -7.629 -4.059 821 2HE MET 101 2HE MET 101 -2.593 -7.591 -2.688 822 3HE MET 101 3HE MET 101 -3.183 -8.041 -4.287 823 H LYS 102 H LYS 102 -7.053 -12.532 -5.399 824 HA LYS 102 HA LYS 102 -7.298 -14.859 -3.648 825 1HB LYS 102 2HB LYS 102 -7.351 -12.858 -2.196 826 2HB LYS 102 1HB LYS 102 -8.772 -12.297 -3.065 827 1HG LYS 102 2HG LYS 102 -9.911 -13.335 -1.451 828 2HG LYS 102 1HG LYS 102 -9.538 -14.804 -2.353 829 1HD LYS 102 2HD LYS 102 -7.481 -15.054 -0.974 830 2HD LYS 102 1HD LYS 102 -8.006 -13.669 -0.015 831 1HE LYS 102 2HE LYS 102 -8.600 -15.766 1.078 832 2HE LYS 102 1HE LYS 102 -10.041 -14.867 0.608 833 1HZ LYS 102 1HZ LYS 102 -9.076 -16.763 -1.359 834 2HZ LYS 102 2HZ LYS 102 -10.656 -16.449 -0.839 835 3HZ LYS 102 3HZ LYS 102 -9.650 -17.454 0.075 836 H ILE 103 H ILE 103 -8.879 -12.720 -5.990 837 HA ILE 103 HA ILE 103 -11.334 -14.216 -5.899 838 HB ILE 103 HB ILE 103 -10.405 -12.261 -8.002 839 1HG1 ILE 103 2HG1 ILE 103 -10.615 -11.316 -5.711 840 2HG1 ILE 103 1HG1 ILE 103 -11.780 -10.636 -6.842 841 1HG2 ILE 103 1HG2 ILE 103 -12.851 -13.875 -7.687 842 2HG2 ILE 103 2HG2 ILE 103 -12.097 -13.224 -9.143 843 3HG2 ILE 103 3HG2 ILE 103 -13.085 -12.181 -8.119 844 1HD1 ILE 103 1HD1 ILE 103 -13.508 -11.356 -5.644 845 2HD1 ILE 103 2HD1 ILE 103 -12.337 -11.635 -4.356 846 3HD1 ILE 103 3HD1 ILE 103 -12.804 -12.958 -5.424 847 H MET 104 H MET 104 -9.664 -13.676 -8.970 848 HA MET 104 HA MET 104 -10.455 -16.064 -10.122 849 1HB MET 104 2HB MET 104 -9.473 -14.094 -11.316 850 2HB MET 104 1HB MET 104 -7.889 -14.593 -10.739 851 1HG MET 104 2HG MET 104 -7.969 -16.599 -12.005 852 2HG MET 104 1HG MET 104 -9.667 -16.352 -12.402 853 1HE MET 104 1HE MET 104 -6.725 -13.883 -12.249 854 2HE MET 104 2HE MET 104 -6.333 -13.572 -13.940 855 3HE MET 104 3HE MET 104 -5.924 -15.126 -13.211 856 H MET 105 H MET 105 -9.391 -18.040 -10.532 857 HA MET 105 HA MET 105 -8.074 -19.167 -8.324 858 1HB MET 105 2HB MET 105 -7.654 -21.103 -9.867 859 2HB MET 105 1HB MET 105 -9.333 -20.594 -9.766 860 1HG MET 105 2HG MET 105 -7.817 -19.301 -11.906 861 2HG MET 105 1HG MET 105 -7.959 -21.051 -12.068 862 1HE MET 105 1HE MET 105 -11.860 -21.511 -11.932 863 2HE MET 105 2HE MET 105 -10.542 -21.794 -10.795 864 3HE MET 105 3HE MET 105 -10.389 -22.320 -12.471 865 H ALA 106 H ALA 106 -6.318 -17.696 -7.953 866 HA ALA 106 HA ALA 106 -3.962 -18.375 -9.566 867 1HB ALA 106 1HB ALA 106 -4.047 -16.303 -10.428 868 2HB ALA 106 2HB ALA 106 -3.400 -15.807 -8.864 869 3HB ALA 106 3HB ALA 106 -5.134 -15.717 -9.170 870 H SER 107 H SER 107 -1.903 -17.731 -8.411 871 HA SER 107 HA SER 107 -1.947 -18.832 -5.782 872 1HB SER 107 2HB SER 107 0.481 -18.413 -5.797 873 2HB SER 107 1HB SER 107 -0.043 -19.187 -7.293 874 HG SER 107 HG SER 107 0.374 -16.398 -6.958 Start of MODEL 3 1 1H TRP 1 1HT TRP 1 8.046 -20.252 3.485 2 2H TRP 1 2HT TRP 1 7.091 -20.652 4.854 3 3H TRP 1 3HT TRP 1 8.787 -20.917 4.880 4 HA TRP 1 HA TRP 1 8.499 -19.027 6.106 5 1HB TRP 1 2HB TRP 1 9.962 -19.048 3.817 6 2HB TRP 1 1HB TRP 1 8.949 -17.635 3.534 7 HD1 TRP 1 HD TRP 1 8.935 -16.783 6.723 8 HE1 TRP 1 1HE TRP 1 11.037 -15.611 7.633 9 HE3 TRP 1 3HE TRP 1 12.290 -18.248 3.154 10 HZ2 TRP 1 2HZ TRP 1 13.758 -15.341 6.931 11 HZ3 TRP 1 3HZ TRP 1 14.622 -17.489 3.347 12 HH2 TRP 1 HH TRP 1 15.341 -16.065 5.196 13 H VAL 2 H VAL 2 6.402 -19.128 3.319 14 HA VAL 2 HA VAL 2 5.085 -16.636 3.894 15 HB VAL 2 HB VAL 2 5.232 -17.487 1.601 16 1HG1 VAL 2 1HG1 VAL 2 3.631 -19.759 2.722 17 2HG1 VAL 2 2HG1 VAL 2 5.110 -19.810 1.764 18 3HG1 VAL 2 3HG1 VAL 2 3.582 -19.358 1.007 19 1HG2 VAL 2 1HG2 VAL 2 3.425 -15.954 2.200 20 2HG2 VAL 2 2HG2 VAL 2 2.391 -17.325 2.603 21 3HG2 VAL 2 3HG2 VAL 2 2.921 -17.079 0.938 22 H GLN 3 H GLN 3 2.841 -16.426 4.488 23 HA GLN 3 HA GLN 3 1.947 -18.629 6.228 24 1HB GLN 3 2HB GLN 3 2.502 -16.087 6.987 25 2HB GLN 3 1HB GLN 3 0.788 -15.939 6.624 26 1HG GLN 3 2HG GLN 3 1.300 -18.308 8.178 27 2HG GLN 3 1HG GLN 3 1.951 -16.876 8.974 28 1HE2 GLN 3 1HE2 GLN 3 -0.677 -18.782 8.768 29 2HE2 GLN 3 2HE2 GLN 3 -1.905 -17.662 9.235 30 HA PRO 4 HA PRO 4 -1.239 -18.394 2.900 31 1HB PRO 4 2HB PRO 4 -1.638 -21.059 2.707 32 2HB PRO 4 1HB PRO 4 -0.316 -20.240 1.870 33 1HG PRO 4 2HG PRO 4 -0.264 -21.794 4.428 34 2HG PRO 4 1HG PRO 4 0.887 -21.821 3.079 35 1HD PRO 4 2HD PRO 4 1.322 -20.425 5.374 36 2HD PRO 4 1HD PRO 4 1.966 -19.922 3.798 37 H ILE 5 H ILE 5 -2.973 -17.593 3.972 38 HA ILE 5 HA ILE 5 -4.053 -18.742 6.335 39 HB ILE 5 HB ILE 5 -4.324 -16.363 5.811 40 1HG1 ILE 5 2HG1 ILE 5 -6.993 -17.785 5.923 41 2HG1 ILE 5 1HG1 ILE 5 -5.936 -17.533 7.308 42 1HG2 ILE 5 1HG2 ILE 5 -4.582 -16.261 3.490 43 2HG2 ILE 5 2HG2 ILE 5 -6.161 -15.794 4.123 44 3HG2 ILE 5 3HG2 ILE 5 -5.910 -17.422 3.495 45 1HD1 ILE 5 1HD1 ILE 5 -6.226 -15.169 7.179 46 2HD1 ILE 5 2HD1 ILE 5 -7.818 -15.925 7.136 47 3HD1 ILE 5 3HD1 ILE 5 -7.095 -15.309 5.650 48 H THR 6 H THR 6 -6.183 -19.660 6.589 49 HA THR 6 HA THR 6 -6.822 -21.503 4.424 50 HB THR 6 HB THR 6 -8.365 -22.514 6.154 51 HG1 THR 6 1HG THR 6 -6.994 -20.824 7.961 52 1HG2 THR 6 1HG2 THR 6 -6.481 -23.277 7.694 53 2HG2 THR 6 2HG2 THR 6 -5.425 -22.308 6.667 54 3HG2 THR 6 3HG2 THR 6 -6.341 -23.646 5.975 55 H ALA 7 H ALA 7 -8.781 -21.592 3.376 56 HA ALA 7 HA ALA 7 -10.729 -20.831 2.477 57 1HB ALA 7 1HB ALA 7 -11.923 -21.192 4.415 58 2HB ALA 7 2HB ALA 7 -12.199 -19.469 4.154 59 3HB ALA 7 3HB ALA 7 -11.000 -20.001 5.333 60 H GLN 8 H GLN 8 -12.093 -18.607 2.329 61 HA GLN 8 HA GLN 8 -10.131 -16.653 1.420 62 1HB GLN 8 2HB GLN 8 -12.156 -15.550 0.394 63 2HB GLN 8 1HB GLN 8 -11.797 -17.166 -0.200 64 1HG GLN 8 2HG GLN 8 -13.660 -17.035 2.072 65 2HG GLN 8 1HG GLN 8 -14.242 -16.339 0.562 66 1HE2 GLN 8 1HE2 GLN 8 -14.601 -18.943 2.257 67 2HE2 GLN 8 2HE2 GLN 8 -14.642 -20.169 1.043 68 H LYS 9 H LYS 9 -9.439 -15.344 2.973 69 HA LYS 9 HA LYS 9 -11.395 -13.680 4.340 70 1HB LYS 9 2HB LYS 9 -10.227 -15.836 5.662 71 2HB LYS 9 1HB LYS 9 -9.278 -14.451 6.182 72 1HG LYS 9 2HG LYS 9 -10.899 -14.391 7.763 73 2HG LYS 9 1HG LYS 9 -11.688 -13.405 6.529 74 1HD LYS 9 2HD LYS 9 -13.351 -14.909 7.142 75 2HD LYS 9 1HD LYS 9 -12.665 -15.645 5.691 76 1HE LYS 9 2HE LYS 9 -12.818 -17.428 7.174 77 2HE LYS 9 1HE LYS 9 -11.137 -16.920 7.326 78 1HZ LYS 9 1HZ LYS 9 -11.642 -16.979 9.504 79 2HZ LYS 9 2HZ LYS 9 -13.301 -16.769 9.257 80 3HZ LYS 9 3HZ LYS 9 -12.264 -15.433 9.213 81 HA PRO 10 HA PRO 10 -8.358 -10.596 3.463 82 1HB PRO 10 2HB PRO 10 -9.175 -9.005 5.731 83 2HB PRO 10 1HB PRO 10 -9.478 -8.723 4.022 84 1HG PRO 10 2HG PRO 10 -11.433 -9.392 5.799 85 2HG PRO 10 1HG PRO 10 -11.504 -9.784 4.072 86 1HD PRO 10 2HD PRO 10 -10.778 -11.533 6.387 87 2HD PRO 10 1HD PRO 10 -11.724 -11.916 4.934 88 H SER 11 H SER 11 -7.074 -12.615 4.706 89 HA SER 11 HA SER 11 -5.145 -11.180 6.315 90 1HB SER 11 2HB SER 11 -7.091 -12.997 7.508 91 2HB SER 11 1HB SER 11 -5.427 -13.463 7.855 92 HG SER 11 HG SER 11 -6.170 -11.998 9.407 93 H LEU 12 H LEU 12 -3.281 -11.668 5.382 94 HA LEU 12 HA LEU 12 -2.385 -14.365 5.171 95 1HB LEU 12 2HB LEU 12 -2.735 -14.857 3.029 96 2HB LEU 12 1HB LEU 12 -3.818 -13.486 2.978 97 HG LEU 12 HG LEU 12 -0.880 -13.269 2.316 98 1HD1 LEU 12 1HD1 LEU 12 -3.145 -13.540 0.353 99 2HD1 LEU 12 2HD1 LEU 12 -2.112 -14.884 0.842 100 3HD1 LEU 12 3HD1 LEU 12 -1.415 -13.492 0.016 101 1HD2 LEU 12 1HD2 LEU 12 -2.445 -11.262 2.950 102 2HD2 LEU 12 2HD2 LEU 12 -3.033 -11.475 1.301 103 3HD2 LEU 12 3HD2 LEU 12 -1.327 -11.138 1.591 104 H THR 13 H THR 13 -0.133 -14.510 4.616 105 HA THR 13 HA THR 13 1.229 -11.933 5.014 106 HB THR 13 HB THR 13 2.356 -14.683 5.534 107 HG1 THR 13 1HG THR 13 1.839 -14.284 7.703 108 1HG2 THR 13 1HG2 THR 13 3.208 -12.033 6.667 109 2HG2 THR 13 2HG2 THR 13 3.983 -12.819 5.291 110 3HG2 THR 13 3HG2 THR 13 3.994 -13.599 6.873 111 H LEU 14 H LEU 14 2.068 -11.101 3.262 112 HA LEU 14 HA LEU 14 3.546 -12.841 1.410 113 1HB LEU 14 2HB LEU 14 1.836 -10.515 0.547 114 2HB LEU 14 1HB LEU 14 2.774 -11.555 -0.497 115 HG LEU 14 HG LEU 14 0.260 -12.230 1.014 116 1HD1 LEU 14 1HD1 LEU 14 -0.767 -11.868 -0.916 117 2HD1 LEU 14 2HD1 LEU 14 0.323 -12.974 -1.753 118 3HD1 LEU 14 3HD1 LEU 14 0.756 -11.273 -1.575 119 1HD2 LEU 14 1HD2 LEU 14 0.875 -14.435 -0.522 120 2HD2 LEU 14 2HD2 LEU 14 1.027 -14.311 1.231 121 3HD2 LEU 14 3HD2 LEU 14 2.421 -13.994 0.203 122 H TRP 15 H TRP 15 4.980 -11.336 -0.068 123 HA TRP 15 HA TRP 15 6.189 -9.424 1.788 124 1HB TRP 15 2HB TRP 15 8.266 -9.972 1.030 125 2HB TRP 15 1HB TRP 15 7.435 -11.488 0.755 126 HD1 TRP 15 HD TRP 15 6.070 -10.182 -2.085 127 HE1 TRP 15 1HE TRP 15 7.606 -10.231 -4.143 128 HE3 TRP 15 3HE TRP 15 10.582 -10.771 0.243 129 HZ2 TRP 15 2HZ TRP 15 10.339 -10.494 -4.725 130 HZ3 TRP 15 3HZ TRP 15 12.602 -10.919 -1.146 131 HH2 TRP 15 HH TRP 15 12.485 -10.787 -3.574 132 H LEU 16 H LEU 16 6.933 -7.458 1.164 133 HA LEU 16 HA LEU 16 6.126 -6.393 -1.430 134 1HB LEU 16 2HB LEU 16 5.105 -4.406 -0.304 135 2HB LEU 16 1HB LEU 16 4.197 -5.894 -0.118 136 HG LEU 16 HG LEU 16 6.119 -5.143 2.033 137 1HD1 LEU 16 1HD1 LEU 16 4.414 -3.222 1.203 138 2HD1 LEU 16 2HD1 LEU 16 4.937 -3.425 2.875 139 3HD1 LEU 16 3HD1 LEU 16 3.391 -4.091 2.348 140 1HD2 LEU 16 1HD2 LEU 16 3.354 -6.198 2.403 141 2HD2 LEU 16 2HD2 LEU 16 4.806 -6.478 3.365 142 3HD2 LEU 16 3HD2 LEU 16 4.617 -7.272 1.803 143 H ASP 17 H ASP 17 7.444 -4.755 -2.154 144 HA ASP 17 HA ASP 17 9.361 -3.535 -2.327 145 1HB ASP 17 2HB ASP 17 8.567 -2.991 0.532 146 2HB ASP 17 1HB ASP 17 9.958 -2.213 -0.217 147 H ASP 18 H ASP 18 9.699 -6.300 -1.839 148 HA ASP 18 HA ASP 18 11.343 -7.805 -1.404 149 1HB ASP 18 2HB ASP 18 12.962 -5.285 -0.998 150 2HB ASP 18 1HB ASP 18 13.654 -6.903 -0.969 151 H LYS 19 H LYS 19 9.543 -7.185 0.660 152 HA LYS 19 HA LYS 19 11.060 -8.144 2.918 153 1HB LYS 19 2HB LYS 19 10.497 -5.368 2.704 154 2HB LYS 19 1HB LYS 19 9.465 -6.016 3.971 155 1HG LYS 19 2HG LYS 19 11.729 -7.160 4.722 156 2HG LYS 19 1HG LYS 19 12.415 -5.786 3.853 157 1HD LYS 19 2HD LYS 19 11.874 -4.372 5.494 158 2HD LYS 19 1HD LYS 19 10.220 -4.983 5.569 159 1HE LYS 19 2HE LYS 19 12.208 -6.821 6.673 160 2HE LYS 19 1HE LYS 19 12.125 -5.277 7.521 161 1HZ LYS 19 1HZ LYS 19 10.605 -6.853 8.496 162 2HZ LYS 19 2HZ LYS 19 9.849 -7.117 7.006 163 3HZ LYS 19 3HZ LYS 19 9.725 -5.608 7.760 164 H MET 20 H MET 20 9.898 -9.763 3.704 165 HA MET 20 HA MET 20 7.195 -10.191 3.023 166 1HB MET 20 2HB MET 20 9.274 -11.666 4.249 167 2HB MET 20 1HB MET 20 7.901 -11.701 5.344 168 1HG MET 20 2HG MET 20 7.087 -13.358 4.125 169 2HG MET 20 1HG MET 20 6.790 -12.177 2.851 170 1HE MET 20 1HE MET 20 7.595 -14.913 0.853 171 2HE MET 20 2HE MET 20 8.160 -13.429 0.086 172 3HE MET 20 3HE MET 20 6.722 -13.402 1.109 173 H PHE 21 H PHE 21 5.323 -10.021 4.195 174 HA PHE 21 HA PHE 21 5.216 -9.169 6.908 175 1HB PHE 21 2HB PHE 21 5.762 -7.093 5.247 176 2HB PHE 21 1HB PHE 21 4.003 -7.074 5.210 177 HD1 PHE 21 1HD PHE 21 2.844 -5.965 6.864 178 HD2 PHE 21 2HD PHE 21 6.854 -7.179 7.597 179 HE1 PHE 21 1HE PHE 21 2.811 -4.760 9.011 180 HE2 PHE 21 2HE PHE 21 6.831 -5.978 9.746 181 HZ PHE 21 HZ PHE 21 4.807 -4.768 10.456 182 H THR 22 H THR 22 2.782 -8.233 7.249 183 HA THR 22 HA THR 22 1.057 -10.195 5.896 184 HB THR 22 HB THR 22 -0.023 -8.990 8.331 185 HG1 THR 22 1HG THR 22 2.264 -10.639 8.583 186 1HG2 THR 22 1HG2 THR 22 0.592 -11.883 7.996 187 2HG2 THR 22 2HG2 THR 22 -0.706 -11.146 7.055 188 3HG2 THR 22 3HG2 THR 22 -0.761 -11.104 8.817 189 H GLY 23 H GLY 23 -1.153 -9.602 5.469 190 1HA GLY 23 2HA GLY 23 -1.836 -6.775 5.475 191 2HA GLY 23 1HA GLY 23 -1.630 -7.503 3.888 192 H LEU 24 H LEU 24 -4.043 -6.488 4.265 193 HA LEU 24 HA LEU 24 -5.726 -8.804 4.969 194 1HB LEU 24 2HB LEU 24 -7.495 -6.796 5.098 195 2HB LEU 24 1HB LEU 24 -6.564 -7.351 6.477 196 HG LEU 24 HG LEU 24 -4.874 -5.535 5.887 197 1HD1 LEU 24 1HD1 LEU 24 -6.946 -5.057 3.858 198 2HD1 LEU 24 2HD1 LEU 24 -5.230 -4.651 3.851 199 3HD1 LEU 24 3HD1 LEU 24 -6.376 -3.624 4.713 200 1HD2 LEU 24 1HD2 LEU 24 -5.857 -4.201 7.417 201 2HD2 LEU 24 2HD2 LEU 24 -6.986 -5.549 7.559 202 3HD2 LEU 24 3HD2 LEU 24 -7.393 -4.159 6.553 203 H ILE 25 H ILE 25 -6.604 -9.753 3.271 204 HA ILE 25 HA ILE 25 -6.788 -8.360 0.732 205 HB ILE 25 HB ILE 25 -7.691 -11.174 1.330 206 1HG1 ILE 25 2HG1 ILE 25 -5.295 -11.476 0.089 207 2HG1 ILE 25 1HG1 ILE 25 -4.980 -10.029 1.042 208 1HG2 ILE 25 1HG2 ILE 25 -8.097 -11.379 -0.852 209 2HG2 ILE 25 2HG2 ILE 25 -6.585 -10.583 -1.294 210 3HG2 ILE 25 3HG2 ILE 25 -8.013 -9.618 -0.917 211 1HD1 ILE 25 1HD1 ILE 25 -5.183 -12.787 1.870 212 2HD1 ILE 25 2HD1 ILE 25 -6.226 -11.730 2.821 213 3HD1 ILE 25 3HD1 ILE 25 -4.496 -11.400 2.714 214 H ASN 26 H ASN 26 -8.479 -7.091 0.383 215 HA ASN 26 HA ASN 26 -11.044 -7.702 1.621 216 1HB ASN 26 2HB ASN 26 -10.805 -5.369 -0.186 217 2HB ASN 26 1HB ASN 26 -11.573 -5.499 1.390 218 1HD2 ASN 26 1HD2 ASN 26 -8.637 -4.846 -0.321 219 2HD2 ASN 26 2HD2 ASN 26 -7.746 -4.230 1.024 220 H THR 27 H THR 27 -12.770 -8.459 0.565 221 HA THR 27 HA THR 27 -12.426 -9.323 -2.175 222 HB THR 27 HB THR 27 -13.422 -10.799 -0.465 223 HG1 THR 27 1HG THR 27 -14.043 -11.366 -2.461 224 1HG2 THR 27 1HG2 THR 27 -15.576 -8.719 -0.418 225 2HG2 THR 27 2HG2 THR 27 -14.707 -9.445 0.935 226 3HG2 THR 27 3HG2 THR 27 -15.881 -10.399 0.028 227 H GLY 28 H GLY 28 -13.134 -6.436 -1.008 228 1HA GLY 28 2HA GLY 28 -14.868 -5.769 -3.274 229 2HA GLY 28 1HA GLY 28 -15.372 -5.277 -1.664 230 H ALA 29 H ALA 29 -12.090 -5.352 -2.958 231 HA ALA 29 HA ALA 29 -11.504 -2.747 -1.995 232 1HB ALA 29 1HB ALA 29 -9.557 -3.872 -2.106 233 2HB ALA 29 2HB ALA 29 -9.500 -3.213 -3.741 234 3HB ALA 29 3HB ALA 29 -10.078 -4.858 -3.471 235 H ASP 30 H ASP 30 -11.592 -0.804 -2.958 236 HA ASP 30 HA ASP 30 -12.490 -0.729 -5.765 237 1HB ASP 30 2HB ASP 30 -13.544 1.425 -5.238 238 2HB ASP 30 1HB ASP 30 -14.157 0.145 -4.196 239 H VAL 31 H VAL 31 -10.378 0.721 -3.359 240 HA VAL 31 HA VAL 31 -8.532 1.498 -5.451 241 HB VAL 31 HB VAL 31 -9.906 3.491 -5.305 242 1HG1 VAL 31 1HG1 VAL 31 -9.356 4.551 -2.771 243 2HG1 VAL 31 2HG1 VAL 31 -9.894 2.894 -2.498 244 3HG1 VAL 31 3HG1 VAL 31 -10.911 4.014 -3.401 245 1HG2 VAL 31 1HG2 VAL 31 -7.740 4.109 -5.802 246 2HG2 VAL 31 2HG2 VAL 31 -7.120 3.611 -4.228 247 3HG2 VAL 31 3HG2 VAL 31 -8.071 5.090 -4.373 248 H THR 32 H THR 32 -6.629 0.805 -4.810 249 HA THR 32 HA THR 32 -6.065 -0.075 -2.195 250 HB THR 32 HB THR 32 -4.868 -1.142 -3.921 251 HG1 THR 32 1HG THR 32 -3.043 -1.112 -2.914 252 1HG2 THR 32 1HG2 THR 32 -4.393 1.579 -4.949 253 2HG2 THR 32 2HG2 THR 32 -4.763 0.084 -5.810 254 3HG2 THR 32 3HG2 THR 32 -3.131 0.375 -5.203 255 H ILE 33 H ILE 33 -5.807 1.161 -0.534 256 HA ILE 33 HA ILE 33 -4.285 3.680 -0.831 257 HB ILE 33 HB ILE 33 -6.030 3.339 1.542 258 1HG1 ILE 33 2HG1 ILE 33 -7.454 2.645 -0.407 259 2HG1 ILE 33 1HG1 ILE 33 -8.028 4.091 0.419 260 1HG2 ILE 33 1HG2 ILE 33 -5.023 5.584 -0.157 261 2HG2 ILE 33 2HG2 ILE 33 -4.811 5.305 1.572 262 3HG2 ILE 33 3HG2 ILE 33 -6.376 5.828 0.948 263 1HD1 ILE 33 1HD1 ILE 33 -6.246 4.809 -1.710 264 2HD1 ILE 33 2HD1 ILE 33 -7.932 5.259 -1.456 265 3HD1 ILE 33 3HD1 ILE 33 -7.535 3.767 -2.307 266 H ILE 34 H ILE 34 -2.312 3.371 -0.088 267 HA ILE 34 HA ILE 34 -1.944 1.621 2.222 268 HB ILE 34 HB ILE 34 -0.587 1.507 -0.067 269 1HG1 ILE 34 2HG1 ILE 34 1.252 0.425 1.211 270 2HG1 ILE 34 1HG1 ILE 34 0.580 1.100 2.692 271 1HG2 ILE 34 1HG2 ILE 34 1.237 2.825 -0.305 272 2HG2 ILE 34 2HG2 ILE 34 1.480 2.993 1.434 273 3HG2 ILE 34 3HG2 ILE 34 0.244 3.953 0.618 274 1HD1 ILE 34 1HD1 ILE 34 -0.018 -1.275 2.275 275 2HD1 ILE 34 2HD1 ILE 34 -0.922 -0.749 0.854 276 3HD1 ILE 34 3HD1 ILE 34 -1.409 -0.205 2.460 277 H LYS 35 H LYS 35 -0.550 2.362 3.952 278 HA LYS 35 HA LYS 35 -1.009 5.182 4.449 279 1HB LYS 35 2HB LYS 35 -0.296 4.613 6.775 280 2HB LYS 35 1HB LYS 35 -1.665 3.673 6.205 281 1HG LYS 35 2HG LYS 35 1.031 2.510 5.839 282 2HG LYS 35 1HG LYS 35 0.365 2.573 7.468 283 1HD LYS 35 2HD LYS 35 -1.414 1.563 5.331 284 2HD LYS 35 1HD LYS 35 -0.076 0.524 5.830 285 1HE LYS 35 2HE LYS 35 -1.686 -0.156 7.304 286 2HE LYS 35 1HE LYS 35 -0.945 1.144 8.237 287 1HZ LYS 35 1HZ LYS 35 -3.448 1.140 8.110 288 2HZ LYS 35 2HZ LYS 35 -3.288 1.589 6.489 289 3HZ LYS 35 3HZ LYS 35 -2.689 2.597 7.704 290 H LEU 36 H LEU 36 0.649 6.553 5.352 291 HA LEU 36 HA LEU 36 2.986 6.520 3.779 292 1HB LEU 36 2HB LEU 36 1.678 8.330 5.444 293 2HB LEU 36 1HB LEU 36 3.268 8.127 6.157 294 HG LEU 36 HG LEU 36 3.497 8.451 3.297 295 1HD1 LEU 36 1HD1 LEU 36 2.821 11.036 3.752 296 2HD1 LEU 36 2HD1 LEU 36 1.574 10.185 4.659 297 3HD1 LEU 36 3HD1 LEU 36 1.792 9.855 2.943 298 1HD2 LEU 36 1HD2 LEU 36 5.049 8.914 5.413 299 2HD2 LEU 36 2HD2 LEU 36 4.390 10.536 5.198 300 3HD2 LEU 36 3HD2 LEU 36 5.258 9.755 3.877 301 H GLU 37 H GLU 37 2.286 5.223 6.915 302 HA GLU 37 HA GLU 37 4.843 5.020 7.999 303 1HB GLU 37 2HB GLU 37 2.548 3.069 8.261 304 2HB GLU 37 1HB GLU 37 3.955 3.130 9.312 305 1HG GLU 37 2HG GLU 37 2.553 4.343 10.591 306 2HG GLU 37 1HG GLU 37 3.145 5.653 9.572 307 H ASP 38 H ASP 38 3.447 3.366 5.323 308 HA ASP 38 HA ASP 38 5.683 1.450 5.293 309 1HB ASP 38 2HB ASP 38 2.842 1.191 4.700 310 2HB ASP 38 1HB ASP 38 3.847 0.610 3.378 311 H TRP 39 H TRP 39 5.594 4.300 4.316 312 HA TRP 39 HA TRP 39 6.023 3.859 1.445 313 1HB TRP 39 2HB TRP 39 4.814 5.747 1.303 314 2HB TRP 39 1HB TRP 39 4.971 6.064 3.027 315 HD1 TRP 39 HD TRP 39 6.571 6.913 -0.335 316 HE1 TRP 39 1HE TRP 39 8.155 8.910 -0.024 317 HE3 TRP 39 3HE TRP 39 6.428 7.270 4.761 318 HZ2 TRP 39 2HZ TRP 39 9.198 10.452 2.103 319 HZ3 TRP 39 3HZ TRP 39 7.745 9.037 5.856 320 HH2 TRP 39 HH TRP 39 9.102 10.593 4.554 321 HA PRO 40 HA PRO 40 10.430 4.029 1.731 322 1HB PRO 40 2HB PRO 40 10.308 5.866 -0.601 323 2HB PRO 40 1HB PRO 40 11.195 4.351 -0.406 324 1HG PRO 40 2HG PRO 40 8.997 4.469 -1.910 325 2HG PRO 40 1HG PRO 40 9.357 3.057 -0.908 326 1HD PRO 40 2HD PRO 40 7.384 5.242 -0.457 327 2HD PRO 40 1HD PRO 40 7.263 3.516 -0.069 328 HA PRO 41 HA PRO 41 10.704 8.057 3.803 329 1HB PRO 41 2HB PRO 41 12.803 7.445 5.382 330 2HB PRO 41 1HB PRO 41 11.164 6.895 5.743 331 1HG PRO 41 2HG PRO 41 13.418 5.404 4.459 332 2HG PRO 41 1HG PRO 41 12.271 4.853 5.695 333 1HD PRO 41 2HD PRO 41 12.020 4.251 3.048 334 2HD PRO 41 1HD PRO 41 10.635 4.397 4.148 335 H ASN 42 H ASN 42 12.776 6.449 1.677 336 HA ASN 42 HA ASN 42 15.082 8.042 1.743 337 1HB ASN 42 2HB ASN 42 14.531 5.807 0.472 338 2HB ASN 42 1HB ASN 42 14.049 6.898 -0.822 339 1HD2 ASN 42 1HD2 ASN 42 16.666 5.550 0.947 340 2HD2 ASN 42 2HD2 ASN 42 17.943 6.242 0.011 341 H TRP 43 H TRP 43 12.030 8.388 -0.018 342 HA TRP 43 HA TRP 43 12.826 11.146 -0.668 343 1HB TRP 43 2HB TRP 43 11.834 10.981 -2.856 344 2HB TRP 43 1HB TRP 43 12.976 9.653 -2.669 345 HD1 TRP 43 HD TRP 43 9.149 10.204 -2.276 346 HE1 TRP 43 1HE TRP 43 7.960 8.060 -3.052 347 HE3 TRP 43 3HE TRP 43 13.244 7.331 -3.326 348 HZ2 TRP 43 2HZ TRP 43 8.654 5.501 -3.986 349 HZ3 TRP 43 3HZ TRP 43 12.891 5.041 -4.157 350 HH2 TRP 43 HH TRP 43 10.638 4.151 -4.478 351 HA PRO 44 HA PRO 44 8.944 12.227 1.174 352 1HB PRO 44 2HB PRO 44 8.874 14.658 -0.437 353 2HB PRO 44 1HB PRO 44 9.139 14.485 1.298 354 1HG PRO 44 2HG PRO 44 11.090 15.262 -0.418 355 2HG PRO 44 1HG PRO 44 11.417 14.359 1.072 356 1HD PRO 44 2HD PRO 44 11.276 13.374 -1.753 357 2HD PRO 44 1HD PRO 44 12.412 12.935 -0.459 358 H ILE 45 H ILE 45 6.727 12.318 0.708 359 HA ILE 45 HA ILE 45 6.004 12.077 -2.135 360 HB ILE 45 HB ILE 45 4.219 10.505 -1.375 361 1HG1 ILE 45 2HG1 ILE 45 5.081 9.095 0.652 362 2HG1 ILE 45 1HG1 ILE 45 5.984 10.547 1.064 363 1HG2 ILE 45 1HG2 ILE 45 5.895 9.607 -2.728 364 2HG2 ILE 45 2HG2 ILE 45 5.897 8.552 -1.313 365 3HG2 ILE 45 3HG2 ILE 45 7.129 9.804 -1.483 366 1HD1 ILE 45 1HD1 ILE 45 4.197 11.415 2.027 367 2HD1 ILE 45 2HD1 ILE 45 3.333 9.913 1.701 368 3HD1 ILE 45 3HD1 ILE 45 3.264 11.237 0.540 369 H THR 46 H THR 46 4.326 13.214 -2.768 370 HA THR 46 HA THR 46 2.428 14.250 -0.795 371 HB THR 46 HB THR 46 4.562 15.678 -1.558 372 HG1 THR 46 1HG THR 46 2.904 16.103 0.083 373 1HG2 THR 46 1HG2 THR 46 2.350 16.876 -3.187 374 2HG2 THR 46 2HG2 THR 46 3.634 15.886 -3.883 375 3HG2 THR 46 3HG2 THR 46 4.030 17.400 -3.069 376 H ASP 47 H ASP 47 0.318 14.496 -1.487 377 HA ASP 47 HA ASP 47 -0.116 14.645 -4.400 378 1HB ASP 47 2HB ASP 47 -0.626 12.341 -3.891 379 2HB ASP 47 1HB ASP 47 -1.717 12.826 -2.600 380 H THR 48 H THR 48 -1.667 16.101 -5.072 381 HA THR 48 HA THR 48 -2.633 17.909 -3.041 382 HB THR 48 HB THR 48 -1.894 18.963 -5.032 383 HG1 THR 48 1HG THR 48 -3.856 19.821 -4.215 384 1HG2 THR 48 1HG2 THR 48 -1.875 17.419 -6.740 385 2HG2 THR 48 2HG2 THR 48 -3.193 18.493 -7.211 386 3HG2 THR 48 3HG2 THR 48 -3.548 16.935 -6.463 387 H LEU 49 H LEU 49 -4.327 17.336 -1.833 388 HA LEU 49 HA LEU 49 -6.611 16.148 -3.278 389 1HB LEU 49 2HB LEU 49 -5.264 14.843 -1.449 390 2HB LEU 49 1HB LEU 49 -6.255 15.770 -0.355 391 HG LEU 49 HG LEU 49 -7.962 14.651 -2.348 392 1HD1 LEU 49 1HD1 LEU 49 -7.563 12.343 -2.246 393 2HD1 LEU 49 2HD1 LEU 49 -6.385 12.518 -0.945 394 3HD1 LEU 49 3HD1 LEU 49 -5.988 13.066 -2.573 395 1HD2 LEU 49 1HD2 LEU 49 -7.658 13.843 0.538 396 2HD2 LEU 49 2HD2 LEU 49 -9.085 13.662 -0.481 397 3HD2 LEU 49 3HD2 LEU 49 -8.540 15.269 -0.007 398 H THR 50 H THR 50 -8.700 16.443 -1.760 399 HA THR 50 HA THR 50 -8.880 19.341 -1.272 400 HB THR 50 HB THR 50 -11.227 17.592 -1.948 401 HG1 THR 50 1HG THR 50 -10.871 18.251 -4.123 402 1HG2 THR 50 1HG2 THR 50 -10.692 20.527 -2.321 403 2HG2 THR 50 2HG2 THR 50 -11.805 19.793 -1.167 404 3HG2 THR 50 3HG2 THR 50 -12.121 19.672 -2.898 405 H ASN 51 H ASN 51 -9.468 20.071 0.666 406 HA ASN 51 HA ASN 51 -10.914 18.290 2.496 407 1HB ASN 51 2HB ASN 51 -8.401 18.530 3.042 408 2HB ASN 51 1HB ASN 51 -8.809 20.177 3.505 409 1HD2 ASN 51 1HD2 ASN 51 -8.538 20.069 5.657 410 2HD2 ASN 51 2HD2 ASN 51 -9.423 19.018 6.703 411 H LEU 52 H LEU 52 -12.743 19.505 1.734 412 HA LEU 52 HA LEU 52 -12.762 22.335 2.240 413 1HB LEU 52 2HB LEU 52 -14.682 20.379 1.079 414 2HB LEU 52 1HB LEU 52 -15.254 21.936 1.613 415 HG LEU 52 HG LEU 52 -14.590 22.907 -0.272 416 1HD1 LEU 52 1HD1 LEU 52 -12.390 23.287 0.577 417 2HD1 LEU 52 2HD1 LEU 52 -12.236 22.746 -1.095 418 3HD1 LEU 52 3HD1 LEU 52 -11.911 21.627 0.227 419 1HD2 LEU 52 1HD2 LEU 52 -13.742 20.122 -1.000 420 2HD2 LEU 52 2HD2 LEU 52 -13.858 21.464 -2.140 421 3HD2 LEU 52 3HD2 LEU 52 -15.303 20.884 -1.312 422 H ARG 53 H ARG 53 -13.155 23.233 4.070 423 HA ARG 53 HA ARG 53 -14.228 21.749 6.281 424 1HB ARG 53 2HB ARG 53 -13.519 24.667 6.172 425 2HB ARG 53 1HB ARG 53 -13.741 23.686 7.600 426 1HG ARG 53 2HG ARG 53 -11.472 23.687 5.656 427 2HG ARG 53 1HG ARG 53 -11.435 23.868 7.407 428 1HD ARG 53 2HD ARG 53 -12.049 21.352 5.862 429 2HD ARG 53 1HD ARG 53 -10.576 21.696 6.764 430 HE ARG 53 HE ARG 53 -13.003 20.682 7.806 431 1HH1 ARG 53 1HH1 ARG 53 -10.353 22.816 8.592 432 2HH1 ARG 53 2HH1 ARG 53 -10.532 22.609 10.302 433 1HH2 ARG 53 1HH2 ARG 53 -13.233 20.406 10.055 434 2HH2 ARG 53 2HH2 ARG 53 -12.163 21.240 11.131 435 H GLY 54 H GLY 54 -15.868 22.793 3.830 436 1HA GLY 54 2HA GLY 54 -18.133 23.236 3.567 437 2HA GLY 54 1HA GLY 54 -18.289 23.232 5.315 438 H ILE 55 H ILE 55 -17.024 25.101 6.318 439 HA ILE 55 HA ILE 55 -17.879 27.556 4.976 440 HB ILE 55 HB ILE 55 -17.365 28.566 7.311 441 1HG1 ILE 55 2HG1 ILE 55 -17.559 25.621 7.957 442 2HG1 ILE 55 1HG1 ILE 55 -16.247 26.721 8.361 443 1HG2 ILE 55 1HG2 ILE 55 -19.590 28.572 7.685 444 2HG2 ILE 55 2HG2 ILE 55 -19.729 26.819 7.544 445 3HG2 ILE 55 3HG2 ILE 55 -19.636 27.815 6.093 446 1HD1 ILE 55 1HD1 ILE 55 -18.822 26.248 9.684 447 2HD1 ILE 55 2HD1 ILE 55 -18.285 27.927 9.618 448 3HD1 ILE 55 3HD1 ILE 55 -17.258 26.701 10.361 449 H GLY 56 H GLY 56 -15.248 25.612 5.663 450 1HA GLY 56 2HA GLY 56 -13.396 27.850 5.096 451 2HA GLY 56 1HA GLY 56 -12.992 26.577 6.240 452 H GLN 57 H GLN 57 -14.351 26.617 2.934 453 HA GLN 57 HA GLN 57 -13.437 24.275 1.957 454 1HB GLN 57 2HB GLN 57 -14.799 25.722 0.611 455 2HB GLN 57 1HB GLN 57 -13.549 26.954 0.569 456 1HG GLN 57 2HG GLN 57 -12.221 24.888 -0.542 457 2HG GLN 57 1HG GLN 57 -13.868 24.521 -1.048 458 1HE2 GLN 57 1HE2 GLN 57 -11.433 27.069 -1.006 459 2HE2 GLN 57 2HE2 GLN 57 -11.963 27.849 -2.452 460 H SER 58 H SER 58 -11.452 23.568 2.713 461 HA SER 58 HA SER 58 -9.096 25.066 1.769 462 1HB SER 58 2HB SER 58 -9.266 24.867 4.244 463 2HB SER 58 1HB SER 58 -9.243 23.111 4.078 464 HG SER 58 HG SER 58 -7.191 24.971 3.567 465 H ASN 59 H ASN 59 -7.133 23.425 1.623 466 HA ASN 59 HA ASN 59 -8.041 21.296 -0.180 467 1HB ASN 59 2HB ASN 59 -5.309 22.561 0.127 468 2HB ASN 59 1HB ASN 59 -5.728 21.317 -1.046 469 1HD2 ASN 59 1HD2 ASN 59 -6.844 21.858 -2.866 470 2HD2 ASN 59 2HD2 ASN 59 -7.198 23.488 -3.317 471 H ASN 60 H ASN 60 -7.426 19.171 0.073 472 HA ASN 60 HA ASN 60 -6.670 18.416 2.740 473 1HB ASN 60 2HB ASN 60 -8.381 17.089 1.768 474 2HB ASN 60 1HB ASN 60 -7.446 16.820 0.310 475 1HD2 ASN 60 1HD2 ASN 60 -8.570 15.327 2.907 476 2HD2 ASN 60 2HD2 ASN 60 -7.349 14.130 3.155 477 HA PRO 61 HA PRO 61 -2.376 18.028 2.314 478 1HB PRO 61 2HB PRO 61 -1.921 15.910 3.997 479 2HB PRO 61 1HB PRO 61 -2.257 17.558 4.540 480 1HG PRO 61 2HG PRO 61 -4.132 15.235 4.271 481 2HG PRO 61 1HG PRO 61 -3.989 16.410 5.594 482 1HD PRO 61 2HD PRO 61 -5.921 16.632 3.743 483 2HD PRO 61 1HD PRO 61 -5.109 18.066 4.411 484 H LYS 62 H LYS 62 -1.374 17.368 0.635 485 HA LYS 62 HA LYS 62 -1.789 15.489 -1.119 486 1HB LYS 62 2HB LYS 62 1.069 15.807 -0.669 487 2HB LYS 62 1HB LYS 62 0.109 16.391 -2.011 488 1HG LYS 62 2HG LYS 62 0.244 17.830 0.620 489 2HG LYS 62 1HG LYS 62 1.379 18.110 -0.693 490 1HD LYS 62 2HD LYS 62 -0.293 18.932 -2.126 491 2HD LYS 62 1HD LYS 62 -1.587 18.297 -1.110 492 1HE LYS 62 2HE LYS 62 -1.112 19.911 0.604 493 2HE LYS 62 1HE LYS 62 0.326 20.462 -0.255 494 1HZ LYS 62 1HZ LYS 62 -2.448 21.140 -0.680 495 2HZ LYS 62 2HZ LYS 62 -1.594 20.805 -2.101 496 3HZ LYS 62 3HZ LYS 62 -1.051 22.016 -1.053 497 H GLN 63 H GLN 63 -1.799 13.342 -1.180 498 HA GLN 63 HA GLN 63 -0.148 11.871 0.760 499 1HB GLN 63 2HB GLN 63 -2.010 10.031 -0.096 500 2HB GLN 63 1HB GLN 63 -2.060 10.915 1.419 501 1HG GLN 63 2HG GLN 63 -4.065 11.615 0.791 502 2HG GLN 63 1HG GLN 63 -3.241 12.651 -0.365 503 1HE2 GLN 63 1HE2 GLN 63 -4.841 9.572 0.072 504 2HE2 GLN 63 2HE2 GLN 63 -5.227 9.320 -1.593 505 H SER 64 H SER 64 1.431 10.749 -0.027 506 HA SER 64 HA SER 64 2.599 10.647 -2.353 507 1HB SER 64 2HB SER 64 3.164 9.246 -0.295 508 2HB SER 64 1HB SER 64 2.142 8.011 -0.998 509 HG SER 64 HG SER 64 3.556 7.649 -2.531 510 H SER 65 H SER 65 2.768 9.352 -4.161 511 HA SER 65 HA SER 65 0.302 7.992 -5.024 512 1HB SER 65 2HB SER 65 1.139 10.227 -6.189 513 2HB SER 65 1HB SER 65 2.223 9.118 -7.030 514 HG SER 65 HG SER 65 0.524 8.928 -8.284 515 H LYS 66 H LYS 66 3.682 7.781 -4.474 516 HA LYS 66 HA LYS 66 4.860 6.078 -6.108 517 1HB LYS 66 2HB LYS 66 6.289 6.201 -4.397 518 2HB LYS 66 1HB LYS 66 4.999 6.561 -3.267 519 1HG LYS 66 2HG LYS 66 5.263 3.725 -4.052 520 2HG LYS 66 1HG LYS 66 6.583 4.401 -3.102 521 1HD LYS 66 2HD LYS 66 5.292 4.699 -1.254 522 2HD LYS 66 1HD LYS 66 3.826 4.992 -2.190 523 1HE LYS 66 2HE LYS 66 3.317 2.937 -1.354 524 2HE LYS 66 1HE LYS 66 4.164 2.440 -2.818 525 1HZ LYS 66 1HZ LYS 66 6.146 2.063 -1.557 526 2HZ LYS 66 2HZ LYS 66 4.878 1.240 -0.800 527 3HZ LYS 66 3HZ LYS 66 5.445 2.695 -0.152 528 H TYR 67 H TYR 67 4.981 3.895 -6.595 529 HA TYR 67 HA TYR 67 2.476 2.501 -6.425 530 1HB TYR 67 2HB TYR 67 5.116 1.715 -7.663 531 2HB TYR 67 1HB TYR 67 3.650 0.745 -7.758 532 HD1 TYR 67 1HD TYR 67 4.572 4.333 -8.361 533 HD2 TYR 67 2HD TYR 67 2.568 0.853 -9.764 534 HE1 TYR 67 1HE TYR 67 3.900 5.545 -10.389 535 HE2 TYR 67 2HE TYR 67 1.891 2.054 -11.794 536 HH TYR 67 HH TYR 67 2.842 4.104 -13.125 537 H LEU 68 H LEU 68 2.062 0.543 -5.495 538 HA LEU 68 HA LEU 68 3.917 -0.252 -3.352 539 1HB LEU 68 2HB LEU 68 1.605 0.587 -2.730 540 2HB LEU 68 1HB LEU 68 0.965 -0.857 -3.493 541 HG LEU 68 HG LEU 68 2.412 -2.188 -1.883 542 1HD1 LEU 68 1HD1 LEU 68 2.773 -0.765 0.278 543 2HD1 LEU 68 2HD1 LEU 68 2.839 0.580 -0.862 544 3HD1 LEU 68 3HD1 LEU 68 3.980 -0.758 -1.007 545 1HD2 LEU 68 1HD2 LEU 68 0.820 -1.758 0.038 546 2HD2 LEU 68 2HD2 LEU 68 0.080 -2.152 -1.513 547 3HD2 LEU 68 3HD2 LEU 68 0.116 -0.480 -0.954 548 H THR 69 H THR 69 4.786 -2.219 -3.435 549 HA THR 69 HA THR 69 3.810 -4.055 -5.511 550 HB THR 69 HB THR 69 6.214 -5.059 -5.023 551 HG1 THR 69 1HG THR 69 6.571 -2.320 -4.398 552 1HG2 THR 69 1HG2 THR 69 5.965 -2.505 -6.588 553 2HG2 THR 69 2HG2 THR 69 5.457 -4.088 -7.176 554 3HG2 THR 69 3HG2 THR 69 7.154 -3.789 -6.807 555 H TRP 70 H TRP 70 2.905 -5.884 -4.927 556 HA TRP 70 HA TRP 70 3.630 -7.105 -2.372 557 1HB TRP 70 2HB TRP 70 1.291 -5.816 -2.524 558 2HB TRP 70 1HB TRP 70 0.791 -7.347 -3.236 559 HD1 TRP 70 HD TRP 70 3.414 -7.633 -0.545 560 HE1 TRP 70 1HE TRP 70 2.359 -8.606 1.588 561 HE3 TRP 70 3HE TRP 70 -1.519 -7.349 -1.854 562 HZ2 TRP 70 2HZ TRP 70 -0.209 -9.168 2.592 563 HZ3 TRP 70 3HZ TRP 70 -3.211 -8.123 -0.250 564 HH2 TRP 70 HH TRP 70 -2.568 -9.016 1.929 565 H ARG 71 H ARG 71 4.062 -9.208 -2.553 566 HA ARG 71 HA ARG 71 2.957 -10.746 -4.758 567 1HB ARG 71 2HB ARG 71 5.792 -9.928 -4.498 568 2HB ARG 71 1HB ARG 71 5.488 -11.585 -4.995 569 1HG ARG 71 2HG ARG 71 5.515 -10.656 -7.046 570 2HG ARG 71 1HG ARG 71 3.825 -10.322 -6.666 571 1HD ARG 71 2HD ARG 71 5.143 -8.384 -7.593 572 2HD ARG 71 1HD ARG 71 4.306 -8.081 -6.076 573 HE ARG 71 HE ARG 71 6.345 -7.915 -4.994 574 1HH1 ARG 71 1HH1 ARG 71 6.816 -8.954 -8.296 575 2HH1 ARG 71 2HH1 ARG 71 8.520 -8.651 -8.277 576 1HH2 ARG 71 1HH2 ARG 71 8.587 -7.519 -4.974 577 2HH2 ARG 71 2HH2 ARG 71 9.525 -7.838 -6.394 578 H ASP 72 H ASP 72 2.798 -12.919 -4.333 579 HA ASP 72 HA ASP 72 3.141 -13.670 -1.577 580 1HB ASP 72 2HB ASP 72 2.095 -15.786 -2.216 581 2HB ASP 72 1HB ASP 72 1.170 -14.435 -2.865 582 H LYS 73 H LYS 73 4.204 -15.811 -1.079 583 HA LYS 73 HA LYS 73 6.853 -15.783 -1.261 584 1HB LYS 73 2HB LYS 73 5.179 -17.520 -0.202 585 2HB LYS 73 1HB LYS 73 5.616 -18.465 -1.615 586 1HG LYS 73 2HG LYS 73 8.059 -17.672 -0.723 587 2HG LYS 73 1HG LYS 73 7.164 -17.842 0.788 588 1HD LYS 73 2HD LYS 73 6.777 -20.107 0.449 589 2HD LYS 73 1HD LYS 73 7.050 -19.993 -1.291 590 1HE LYS 73 2HE LYS 73 9.133 -19.772 0.879 591 2HE LYS 73 1HE LYS 73 8.909 -21.129 -0.227 592 1HZ LYS 73 1HZ LYS 73 10.131 -18.528 -0.698 593 2HZ LYS 73 2HZ LYS 73 9.210 -19.162 -1.969 594 3HZ LYS 73 3HZ LYS 73 10.517 -20.041 -1.350 595 H GLU 74 H GLU 74 4.781 -16.898 -3.862 596 HA GLU 74 HA GLU 74 7.036 -17.839 -5.409 597 1HB GLU 74 2HB GLU 74 4.090 -17.594 -5.992 598 2HB GLU 74 1HB GLU 74 5.249 -18.053 -7.230 599 1HG GLU 74 2HG GLU 74 5.885 -20.006 -5.970 600 2HG GLU 74 1HG GLU 74 4.838 -19.522 -4.636 601 H ASN 75 H ASN 75 6.870 -15.020 -4.507 602 HA ASN 75 HA ASN 75 7.125 -12.895 -5.257 603 1HB ASN 75 2HB ASN 75 8.692 -12.648 -7.131 604 2HB ASN 75 1HB ASN 75 9.228 -13.891 -6.004 605 1HD2 ASN 75 1HD2 ASN 75 8.247 -13.176 -9.202 606 2HD2 ASN 75 2HD2 ASN 75 8.453 -14.760 -9.860 607 H ASN 76 H ASN 76 4.585 -13.409 -5.679 608 HA ASN 76 HA ASN 76 3.963 -11.807 -7.948 609 1HB ASN 76 2HB ASN 76 2.968 -13.309 -9.440 610 2HB ASN 76 1HB ASN 76 4.455 -14.114 -8.954 611 1HD2 ASN 76 1HD2 ASN 76 4.076 -15.458 -6.840 612 2HD2 ASN 76 2HD2 ASN 76 2.713 -16.517 -6.909 613 H SER 77 H SER 77 2.032 -10.844 -7.761 614 HA SER 77 HA SER 77 -0.264 -11.954 -6.592 615 1HB SER 77 2HB SER 77 1.420 -10.272 -4.789 616 2HB SER 77 1HB SER 77 -0.322 -10.330 -4.591 617 HG SER 77 HG SER 77 1.132 -11.920 -3.419 618 H GLY 78 H GLY 78 1.197 -8.705 -6.375 619 1HA GLY 78 2HA GLY 78 -0.265 -7.650 -8.567 620 2HA GLY 78 1HA GLY 78 -1.089 -7.283 -7.061 621 H LEU 79 H LEU 79 0.115 -5.438 -8.951 622 HA LEU 79 HA LEU 79 1.651 -3.883 -7.064 623 1HB LEU 79 2HB LEU 79 3.534 -4.964 -7.889 624 2HB LEU 79 1HB LEU 79 2.871 -5.109 -9.504 625 HG LEU 79 HG LEU 79 3.264 -2.740 -9.915 626 1HD1 LEU 79 1HD1 LEU 79 3.087 -1.506 -8.027 627 2HD1 LEU 79 2HD1 LEU 79 4.840 -1.704 -8.030 628 3HD1 LEU 79 3HD1 LEU 79 3.836 -2.740 -7.015 629 1HD2 LEU 79 1HD2 LEU 79 5.134 -3.768 -10.659 630 2HD2 LEU 79 2HD2 LEU 79 5.439 -4.570 -9.120 631 3HD2 LEU 79 3HD2 LEU 79 5.875 -2.876 -9.331 632 H ILE 80 H ILE 80 0.876 -1.864 -7.218 633 HA ILE 80 HA ILE 80 0.487 -0.630 -9.804 634 HB ILE 80 HB ILE 80 -1.791 -0.123 -9.697 635 1HG1 ILE 80 2HG1 ILE 80 -2.956 -1.301 -7.487 636 2HG1 ILE 80 1HG1 ILE 80 -1.470 -0.615 -6.834 637 1HG2 ILE 80 1HG2 ILE 80 -2.915 -2.290 -9.606 638 2HG2 ILE 80 2HG2 ILE 80 -1.517 -2.981 -8.784 639 3HG2 ILE 80 3HG2 ILE 80 -1.365 -2.395 -10.441 640 1HD1 ILE 80 1HD1 ILE 80 -3.905 0.684 -7.495 641 2HD1 ILE 80 2HD1 ILE 80 -2.625 1.326 -8.522 642 3HD1 ILE 80 3HD1 ILE 80 -2.448 1.361 -6.769 643 H LYS 81 H LYS 81 -0.792 1.661 -9.233 644 HA LYS 81 HA LYS 81 0.964 2.859 -7.208 645 1HB LYS 81 2HB LYS 81 0.449 5.005 -8.340 646 2HB LYS 81 1HB LYS 81 1.210 3.825 -9.394 647 1HG LYS 81 2HG LYS 81 -1.562 3.442 -9.649 648 2HG LYS 81 1HG LYS 81 -1.285 5.184 -9.701 649 1HD LYS 81 2HD LYS 81 0.486 4.758 -11.423 650 2HD LYS 81 1HD LYS 81 -0.034 3.073 -11.456 651 1HE LYS 81 2HE LYS 81 -2.197 3.673 -12.251 652 2HE LYS 81 1HE LYS 81 -1.894 5.386 -11.962 653 1HZ LYS 81 1HZ LYS 81 -1.689 4.447 -14.340 654 2HZ LYS 81 2HZ LYS 81 -0.179 3.884 -13.828 655 3HZ LYS 81 3HZ LYS 81 -0.521 5.540 -13.789 656 HA PRO 82 HA PRO 82 -2.981 3.412 -4.993 657 1HB PRO 82 2HB PRO 82 -2.135 2.781 -2.565 658 2HB PRO 82 1HB PRO 82 -2.345 1.521 -3.786 659 1HG PRO 82 2HG PRO 82 0.163 2.833 -2.835 660 2HG PRO 82 1HG PRO 82 -0.133 1.131 -3.235 661 1HD PRO 82 2HD PRO 82 1.042 3.012 -4.925 662 2HD PRO 82 1HD PRO 82 0.347 1.466 -5.428 663 H PHE 83 H PHE 83 -3.155 4.489 -2.616 664 HA PHE 83 HA PHE 83 -1.722 7.047 -2.807 665 1HB PHE 83 2HB PHE 83 -4.563 6.390 -2.349 666 2HB PHE 83 1HB PHE 83 -3.907 7.654 -1.312 667 HD1 PHE 83 1HD PHE 83 -2.083 9.088 -2.977 668 HD2 PHE 83 2HD PHE 83 -5.843 7.377 -3.988 669 HE1 PHE 83 1HE PHE 83 -2.324 10.715 -4.805 670 HE2 PHE 83 2HE PHE 83 -6.095 9.003 -5.819 671 HZ PHE 83 HZ PHE 83 -4.333 10.676 -6.229 672 H VAL 84 H VAL 84 -0.351 7.418 -1.234 673 HA VAL 84 HA VAL 84 -0.594 5.995 1.292 674 HB VAL 84 HB VAL 84 1.831 7.498 0.420 675 1HG1 VAL 84 1HG1 VAL 84 2.970 6.236 1.938 676 2HG1 VAL 84 2HG1 VAL 84 1.759 4.953 1.938 677 3HG1 VAL 84 3HG1 VAL 84 1.414 6.489 2.727 678 1HG2 VAL 84 1HG2 VAL 84 2.329 4.844 -0.212 679 2HG2 VAL 84 2HG2 VAL 84 2.099 6.166 -1.353 680 3HG2 VAL 84 3HG2 VAL 84 0.730 5.159 -0.883 681 H ILE 85 H ILE 85 -1.521 7.132 2.854 682 HA ILE 85 HA ILE 85 -0.965 10.023 3.006 683 HB ILE 85 HB ILE 85 -3.374 8.750 4.275 684 1HG1 ILE 85 2HG1 ILE 85 -4.225 10.015 1.915 685 2HG1 ILE 85 1HG1 ILE 85 -2.861 9.011 1.437 686 1HG2 ILE 85 1HG2 ILE 85 -4.217 11.146 3.681 687 2HG2 ILE 85 2HG2 ILE 85 -2.495 11.511 3.559 688 3HG2 ILE 85 3HG2 ILE 85 -3.161 10.899 5.073 689 1HD1 ILE 85 1HD1 ILE 85 -3.922 7.055 2.076 690 2HD1 ILE 85 2HD1 ILE 85 -5.208 8.013 1.343 691 3HD1 ILE 85 3HD1 ILE 85 -5.081 7.902 3.099 692 HA PRO 86 HA PRO 86 0.729 9.092 6.984 693 1HB PRO 86 2HB PRO 86 0.598 11.754 7.934 694 2HB PRO 86 1HB PRO 86 1.944 10.992 7.090 695 1HG PRO 86 2HG PRO 86 0.332 13.074 6.119 696 2HG PRO 86 1HG PRO 86 1.479 12.106 5.182 697 1HD PRO 86 2HD PRO 86 -1.475 11.887 5.370 698 2HD PRO 86 1HD PRO 86 -0.393 11.490 4.020 699 H ASN 87 H ASN 87 -2.066 8.570 6.871 700 HA ASN 87 HA ASN 87 -2.743 9.231 9.624 701 1HB ASN 87 2HB ASN 87 -3.892 10.720 7.760 702 2HB ASN 87 1HB ASN 87 -4.966 9.330 7.643 703 1HD2 ASN 87 1HD2 ASN 87 -3.399 11.181 10.239 704 2HD2 ASN 87 2HD2 ASN 87 -4.824 11.361 11.199 705 H LEU 88 H LEU 88 -2.171 6.820 7.560 706 HA LEU 88 HA LEU 88 -2.613 4.590 7.591 707 1HB LEU 88 2HB LEU 88 -2.408 4.741 10.002 708 2HB LEU 88 1HB LEU 88 -4.058 5.305 10.143 709 HG LEU 88 HG LEU 88 -4.279 2.857 8.826 710 1HD1 LEU 88 1HD1 LEU 88 -2.447 2.508 11.184 711 2HD1 LEU 88 2HD1 LEU 88 -1.877 2.509 9.516 712 3HD1 LEU 88 3HD1 LEU 88 -3.021 1.280 10.057 713 1HD2 LEU 88 1HD2 LEU 88 -5.947 3.071 10.305 714 2HD2 LEU 88 2HD2 LEU 88 -4.973 4.043 11.409 715 3HD2 LEU 88 3HD2 LEU 88 -4.844 2.284 11.434 716 HA PRO 89 HA PRO 89 -6.729 5.298 5.687 717 1HB PRO 89 2HB PRO 89 -5.618 3.961 3.356 718 2HB PRO 89 1HB PRO 89 -6.200 5.620 3.506 719 1HG PRO 89 2HG PRO 89 -3.578 5.027 3.148 720 2HG PRO 89 1HG PRO 89 -4.123 6.437 4.071 721 1HD PRO 89 2HD PRO 89 -3.236 3.750 5.072 722 2HD PRO 89 1HD PRO 89 -2.765 5.370 5.634 723 H VAL 90 H VAL 90 -5.647 2.958 7.314 724 HA VAL 90 HA VAL 90 -6.473 0.933 7.942 725 HB VAL 90 HB VAL 90 -8.318 1.155 5.584 726 1HG1 VAL 90 1HG1 VAL 90 -9.611 -0.237 7.573 727 2HG1 VAL 90 2HG1 VAL 90 -7.951 -0.819 7.696 728 3HG1 VAL 90 3HG1 VAL 90 -8.819 -0.947 6.166 729 1HG2 VAL 90 1HG2 VAL 90 -9.499 2.703 6.655 730 2HG2 VAL 90 2HG2 VAL 90 -8.213 2.793 7.860 731 3HG2 VAL 90 3HG2 VAL 90 -9.575 1.700 8.104 732 H ASN 91 H ASN 91 -4.761 1.558 5.253 733 HA ASN 91 HA ASN 91 -3.498 0.326 3.819 734 1HB ASN 91 2HB ASN 91 -3.146 -0.820 6.180 735 2HB ASN 91 1HB ASN 91 -3.994 -2.156 5.408 736 1HD2 ASN 91 1HD2 ASN 91 -2.896 -3.473 4.108 737 2HD2 ASN 91 2HD2 ASN 91 -1.262 -3.235 3.602 738 H LEU 92 H LEU 92 -5.694 0.677 2.566 739 HA LEU 92 HA LEU 92 -7.132 -1.779 2.041 740 1HB LEU 92 2HB LEU 92 -7.418 1.065 1.230 741 2HB LEU 92 1HB LEU 92 -7.988 -0.129 0.089 742 HG LEU 92 HG LEU 92 -9.881 0.445 1.334 743 1HD1 LEU 92 1HD1 LEU 92 -10.581 -1.615 1.894 744 2HD1 LEU 92 2HD1 LEU 92 -9.240 -1.883 3.009 745 3HD1 LEU 92 3HD1 LEU 92 -9.004 -2.108 1.276 746 1HD2 LEU 92 1HD2 LEU 92 -9.959 0.544 3.757 747 2HD2 LEU 92 2HD2 LEU 92 -8.715 1.629 3.136 748 3HD2 LEU 92 3HD2 LEU 92 -8.260 0.081 3.849 749 H TRP 93 H TRP 93 -7.383 -2.631 -0.084 750 HA TRP 93 HA TRP 93 -4.980 -2.279 -1.734 751 1HB TRP 93 2HB TRP 93 -5.954 -4.635 -0.502 752 2HB TRP 93 1HB TRP 93 -6.241 -4.804 -2.229 753 HD1 TRP 93 HD TRP 93 -4.287 -5.836 -3.490 754 HE1 TRP 93 1HE TRP 93 -1.738 -5.957 -3.165 755 HE3 TRP 93 3HE TRP 93 -3.882 -3.043 0.768 756 HZ2 TRP 93 2HZ TRP 93 0.182 -5.000 -1.343 757 HZ3 TRP 93 3HZ TRP 93 -1.649 -2.695 1.742 758 HH2 TRP 93 HH TRP 93 0.344 -3.655 0.708 759 H GLY 94 H GLY 94 -5.417 -3.051 -4.040 760 1HA GLY 94 2HA GLY 94 -7.934 -1.786 -4.865 761 2HA GLY 94 1HA GLY 94 -6.484 -1.906 -5.840 762 H ARG 95 H ARG 95 -9.317 -2.721 -6.335 763 HA ARG 95 HA ARG 95 -9.813 -5.406 -6.191 764 1HB ARG 95 2HB ARG 95 -11.527 -4.018 -7.009 765 2HB ARG 95 1HB ARG 95 -10.520 -3.371 -8.282 766 1HG ARG 95 2HG ARG 95 -11.212 -4.915 -9.710 767 2HG ARG 95 1HG ARG 95 -10.790 -6.212 -8.593 768 1HD ARG 95 2HD ARG 95 -13.370 -4.680 -8.767 769 2HD ARG 95 1HD ARG 95 -13.109 -6.407 -9.011 770 HE ARG 95 HE ARG 95 -12.418 -5.433 -6.387 771 1HH1 ARG 95 1HH1 ARG 95 -14.928 -6.780 -8.404 772 2HH1 ARG 95 2HH1 ARG 95 -15.817 -7.436 -7.073 773 1HH2 ARG 95 1HH2 ARG 95 -13.584 -6.301 -4.639 774 2HH2 ARG 95 2HH2 ARG 95 -15.058 -7.162 -4.936 775 H ASP 96 H ASP 96 -7.661 -3.783 -8.462 776 HA ASP 96 HA ASP 96 -7.340 -5.900 -10.272 777 1HB ASP 96 2HB ASP 96 -6.331 -3.335 -10.016 778 2HB ASP 96 1HB ASP 96 -4.904 -4.348 -9.835 779 H LEU 97 H LEU 97 -5.400 -5.026 -7.416 780 HA LEU 97 HA LEU 97 -3.613 -7.189 -7.654 781 1HB LEU 97 2HB LEU 97 -4.315 -5.380 -5.366 782 2HB LEU 97 1HB LEU 97 -3.146 -6.679 -5.200 783 HG LEU 97 HG LEU 97 -2.037 -5.580 -7.296 784 1HD1 LEU 97 1HD1 LEU 97 -3.500 -3.936 -7.956 785 2HD1 LEU 97 2HD1 LEU 97 -2.343 -3.025 -6.982 786 3HD1 LEU 97 3HD1 LEU 97 -3.905 -3.481 -6.302 787 1HD2 LEU 97 1HD2 LEU 97 -1.891 -4.329 -4.559 788 2HD2 LEU 97 2HD2 LEU 97 -0.677 -4.184 -5.831 789 3HD2 LEU 97 3HD2 LEU 97 -1.006 -5.755 -5.100 790 H LEU 98 H LEU 98 -6.685 -6.884 -5.887 791 HA LEU 98 HA LEU 98 -6.359 -9.380 -4.536 792 1HB LEU 98 2HB LEU 98 -8.840 -7.736 -5.046 793 2HB LEU 98 1HB LEU 98 -8.806 -9.186 -4.062 794 HG LEU 98 HG LEU 98 -8.664 -7.572 -2.443 795 1HD1 LEU 98 1HD1 LEU 98 -6.525 -9.071 -2.608 796 2HD1 LEU 98 2HD1 LEU 98 -6.598 -7.736 -1.458 797 3HD1 LEU 98 3HD1 LEU 98 -5.733 -7.540 -2.982 798 1HD2 LEU 98 1HD2 LEU 98 -6.695 -5.844 -3.828 799 2HD2 LEU 98 2HD2 LEU 98 -8.005 -5.416 -2.724 800 3HD2 LEU 98 3HD2 LEU 98 -8.365 -5.833 -4.399 801 H SER 99 H SER 99 -7.687 -8.411 -7.612 802 HA SER 99 HA SER 99 -9.109 -10.802 -8.167 803 1HB SER 99 2HB SER 99 -8.511 -8.334 -9.519 804 2HB SER 99 1HB SER 99 -8.212 -9.683 -10.611 805 HG SER 99 HG SER 99 -10.589 -9.424 -9.092 806 H GLN 100 H GLN 100 -5.779 -9.797 -8.638 807 HA GLN 100 HA GLN 100 -5.096 -12.194 -10.109 808 1HB GLN 100 2HB GLN 100 -3.538 -9.795 -9.170 809 2HB GLN 100 1HB GLN 100 -2.733 -11.208 -9.840 810 1HG GLN 100 2HG GLN 100 -4.017 -10.945 -11.910 811 2HG GLN 100 1HG GLN 100 -4.789 -9.510 -11.236 812 1HE2 GLN 100 1HE2 GLN 100 -4.002 -7.780 -12.183 813 2HE2 GLN 100 2HE2 GLN 100 -2.338 -7.475 -12.531 814 H MET 101 H MET 101 -4.192 -10.719 -6.976 815 HA MET 101 HA MET 101 -2.560 -12.632 -5.913 816 1HB MET 101 2HB MET 101 -3.876 -10.461 -4.895 817 2HB MET 101 1HB MET 101 -4.661 -11.772 -4.033 818 1HG MET 101 2HG MET 101 -2.703 -12.425 -2.985 819 2HG MET 101 1HG MET 101 -1.683 -11.606 -4.165 820 1HE MET 101 1HE MET 101 -2.485 -9.175 -4.712 821 2HE MET 101 2HE MET 101 -1.684 -8.121 -3.551 822 3HE MET 101 3HE MET 101 -3.446 -8.195 -3.605 823 H LYS 102 H LYS 102 -6.098 -12.606 -5.724 824 HA LYS 102 HA LYS 102 -6.161 -15.337 -4.774 825 1HB LYS 102 2HB LYS 102 -7.838 -13.214 -4.411 826 2HB LYS 102 1HB LYS 102 -8.677 -14.091 -5.683 827 1HG LYS 102 2HG LYS 102 -9.433 -14.705 -3.424 828 2HG LYS 102 1HG LYS 102 -8.775 -16.072 -4.323 829 1HD LYS 102 2HD LYS 102 -6.752 -14.671 -2.767 830 2HD LYS 102 1HD LYS 102 -8.063 -15.303 -1.769 831 1HE LYS 102 2HE LYS 102 -7.652 -17.440 -3.310 832 2HE LYS 102 1HE LYS 102 -6.036 -16.739 -3.388 833 1HZ LYS 102 1HZ LYS 102 -6.610 -16.603 -0.757 834 2HZ LYS 102 2HZ LYS 102 -5.714 -17.837 -1.487 835 3HZ LYS 102 3HZ LYS 102 -7.366 -18.052 -1.196 836 H ILE 103 H ILE 103 -6.444 -13.573 -7.751 837 HA ILE 103 HA ILE 103 -6.629 -14.168 -9.894 838 HB ILE 103 HB ILE 103 -4.889 -15.821 -9.113 839 1HG1 ILE 103 2HG1 ILE 103 -4.960 -17.029 -11.306 840 2HG1 ILE 103 1HG1 ILE 103 -6.563 -16.349 -11.565 841 1HG2 ILE 103 1HG2 ILE 103 -5.668 -17.662 -8.102 842 2HG2 ILE 103 2HG2 ILE 103 -6.003 -18.238 -9.733 843 3HG2 ILE 103 3HG2 ILE 103 -7.279 -17.475 -8.790 844 1HD1 ILE 103 1HD1 ILE 103 -4.279 -15.237 -12.449 845 2HD1 ILE 103 2HD1 ILE 103 -4.470 -14.402 -10.907 846 3HD1 ILE 103 3HD1 ILE 103 -5.755 -14.332 -12.112 847 H MET 104 H MET 104 -8.837 -13.948 -8.286 848 HA MET 104 HA MET 104 -10.757 -15.994 -8.695 849 1HB MET 104 2HB MET 104 -10.690 -13.322 -7.589 850 2HB MET 104 1HB MET 104 -12.107 -13.515 -8.610 851 1HG MET 104 2HG MET 104 -13.107 -14.450 -6.875 852 2HG MET 104 1HG MET 104 -12.043 -15.837 -7.108 853 1HE MET 104 1HE MET 104 -11.551 -12.326 -4.292 854 2HE MET 104 2HE MET 104 -11.962 -12.295 -6.006 855 3HE MET 104 3HE MET 104 -10.271 -12.355 -5.506 856 H MET 105 H MET 105 -12.908 -15.006 -10.021 857 HA MET 105 HA MET 105 -12.046 -15.208 -12.720 858 1HB MET 105 2HB MET 105 -14.471 -14.541 -13.207 859 2HB MET 105 1HB MET 105 -14.214 -16.026 -12.300 860 1HG MET 105 2HG MET 105 -14.903 -15.057 -10.290 861 2HG MET 105 1HG MET 105 -14.735 -13.419 -10.921 862 1HE MET 105 1HE MET 105 -16.469 -12.092 -11.937 863 2HE MET 105 2HE MET 105 -17.911 -12.681 -12.765 864 3HE MET 105 3HE MET 105 -16.315 -12.977 -13.455 865 H ALA 106 H ALA 106 -10.427 -13.420 -12.499 866 HA ALA 106 HA ALA 106 -11.627 -10.752 -12.757 867 1HB ALA 106 1HB ALA 106 -9.621 -11.380 -11.207 868 2HB ALA 106 2HB ALA 106 -9.617 -9.852 -12.090 869 3HB ALA 106 3HB ALA 106 -8.682 -11.220 -12.692 870 H SER 107 H SER 107 -12.430 -10.960 -14.879 871 HA SER 107 HA SER 107 -10.456 -10.432 -16.920 872 1HB SER 107 2HB SER 107 -11.319 -12.215 -18.441 873 2HB SER 107 1HB SER 107 -10.480 -12.851 -17.027 874 HG SER 107 HG SER 107 -12.276 -13.725 -16.359 Start of MODEL 4 1 1H TRP 1 1HT TRP 1 7.315 -19.542 6.181 2 2H TRP 1 2HT TRP 1 8.754 -20.347 5.704 3 3H TRP 1 3HT TRP 1 7.235 -21.129 5.537 4 HA TRP 1 HA TRP 1 8.356 -18.897 4.009 5 1HB TRP 1 2HB TRP 1 7.162 -21.601 3.361 6 2HB TRP 1 1HB TRP 1 7.604 -20.411 2.142 7 HD1 TRP 1 HD TRP 1 10.411 -19.503 2.939 8 HE1 TRP 1 1HE TRP 1 12.405 -21.129 3.005 9 HE3 TRP 1 3HE TRP 1 7.854 -23.908 3.388 10 HZ2 TRP 1 2HZ TRP 1 12.838 -23.911 3.217 11 HZ3 TRP 1 3HZ TRP 1 9.133 -26.006 3.515 12 HH2 TRP 1 HH TRP 1 11.573 -26.006 3.430 13 H VAL 2 H VAL 2 6.646 -18.674 2.022 14 HA VAL 2 HA VAL 2 4.252 -17.586 3.296 15 HB VAL 2 HB VAL 2 5.595 -17.097 0.654 16 1HG1 VAL 2 1HG1 VAL 2 3.446 -17.082 -0.161 17 2HG1 VAL 2 2HG1 VAL 2 3.614 -15.411 0.379 18 3HG1 VAL 2 3HG1 VAL 2 2.750 -16.579 1.379 19 1HG2 VAL 2 1HG2 VAL 2 5.206 -14.692 1.577 20 2HG2 VAL 2 2HG2 VAL 2 6.512 -15.691 2.216 21 3HG2 VAL 2 3HG2 VAL 2 5.006 -15.529 3.117 22 H GLN 3 H GLN 3 2.152 -18.047 2.561 23 HA GLN 3 HA GLN 3 1.795 -20.138 0.572 24 1HB GLN 3 2HB GLN 3 0.297 -21.403 2.228 25 2HB GLN 3 1HB GLN 3 2.036 -21.584 2.399 26 1HG GLN 3 2HG GLN 3 1.287 -19.384 3.987 27 2HG GLN 3 1HG GLN 3 0.121 -20.667 4.301 28 1HE2 GLN 3 1HE2 GLN 3 3.383 -19.619 4.638 29 2HE2 GLN 3 2HE2 GLN 3 3.930 -20.923 5.630 30 HA PRO 4 HA PRO 4 -1.963 -17.982 -0.250 31 1HB PRO 4 2HB PRO 4 -3.630 -19.973 -1.037 32 2HB PRO 4 1HB PRO 4 -2.289 -19.399 -2.035 33 1HG PRO 4 2HG PRO 4 -2.435 -21.807 -0.261 34 2HG PRO 4 1HG PRO 4 -1.751 -21.657 -1.890 35 1HD PRO 4 2HD PRO 4 -0.220 -21.646 0.345 36 2HD PRO 4 1HD PRO 4 0.214 -20.735 -1.115 37 H ILE 5 H ILE 5 -3.532 -17.178 1.007 38 HA ILE 5 HA ILE 5 -4.142 -18.353 3.520 39 HB ILE 5 HB ILE 5 -4.156 -15.943 3.284 40 1HG1 ILE 5 2HG1 ILE 5 -6.365 -15.434 4.301 41 2HG1 ILE 5 1HG1 ILE 5 -6.920 -17.041 3.846 42 1HG2 ILE 5 1HG2 ILE 5 -6.459 -16.356 1.385 43 2HG2 ILE 5 2HG2 ILE 5 -4.853 -15.750 0.980 44 3HG2 ILE 5 3HG2 ILE 5 -5.923 -14.796 2.006 45 1HD1 ILE 5 1HD1 ILE 5 -6.232 -17.711 5.839 46 2HD1 ILE 5 2HD1 ILE 5 -5.376 -16.196 6.129 47 3HD1 ILE 5 3HD1 ILE 5 -4.582 -17.504 5.251 48 H THR 6 H THR 6 -5.682 -19.736 4.080 49 HA THR 6 HA THR 6 -7.499 -20.747 2.075 50 HB THR 6 HB THR 6 -8.264 -22.125 4.190 51 HG1 THR 6 1HG THR 6 -7.066 -20.810 5.654 52 1HG2 THR 6 1HG2 THR 6 -5.891 -22.432 2.480 53 2HG2 THR 6 2HG2 THR 6 -7.235 -23.535 2.777 54 3HG2 THR 6 3HG2 THR 6 -5.924 -23.404 3.951 55 H ALA 7 H ALA 7 -9.833 -20.952 2.496 56 HA ALA 7 HA ALA 7 -11.876 -20.030 2.923 57 1HB ALA 7 1HB ALA 7 -12.369 -19.545 5.111 58 2HB ALA 7 2HB ALA 7 -10.853 -18.684 5.376 59 3HB ALA 7 3HB ALA 7 -10.866 -20.446 5.316 60 H GLN 8 H GLN 8 -12.574 -17.581 4.132 61 HA GLN 8 HA GLN 8 -11.219 -15.629 2.386 62 1HB GLN 8 2HB GLN 8 -14.180 -15.832 2.972 63 2HB GLN 8 1HB GLN 8 -13.420 -14.514 2.090 64 1HG GLN 8 2HG GLN 8 -13.195 -17.369 1.203 65 2HG GLN 8 1HG GLN 8 -14.540 -16.335 0.727 66 1HE2 GLN 8 1HE2 GLN 8 -14.265 -15.657 -1.267 67 2HE2 GLN 8 2HE2 GLN 8 -12.781 -15.117 -1.968 68 H LYS 9 H LYS 9 -9.993 -14.619 3.842 69 HA LYS 9 HA LYS 9 -11.344 -12.920 5.763 70 1HB LYS 9 2HB LYS 9 -9.869 -13.573 7.623 71 2HB LYS 9 1HB LYS 9 -10.880 -14.913 7.097 72 1HG LYS 9 2HG LYS 9 -8.252 -14.761 5.798 73 2HG LYS 9 1HG LYS 9 -8.217 -15.074 7.535 74 1HD LYS 9 2HD LYS 9 -10.150 -16.626 5.905 75 2HD LYS 9 1HD LYS 9 -8.439 -17.024 5.733 76 1HE LYS 9 2HE LYS 9 -9.054 -18.423 7.453 77 2HE LYS 9 1HE LYS 9 -8.475 -17.016 8.345 78 1HZ LYS 9 1HZ LYS 9 -10.589 -17.850 9.203 79 2HZ LYS 9 2HZ LYS 9 -11.320 -17.577 7.702 80 3HZ LYS 9 3HZ LYS 9 -10.743 -16.272 8.611 81 HA PRO 10 HA PRO 10 -8.235 -10.169 4.243 82 1HB PRO 10 2HB PRO 10 -8.228 -8.317 6.236 83 2HB PRO 10 1HB PRO 10 -9.516 -8.436 5.034 84 1HG PRO 10 2HG PRO 10 -9.441 -9.483 7.837 85 2HG PRO 10 1HG PRO 10 -10.760 -8.659 6.986 86 1HD PRO 10 2HD PRO 10 -10.698 -11.342 7.301 87 2HD PRO 10 1HD PRO 10 -11.400 -10.571 5.864 88 H SER 11 H SER 11 -6.909 -12.301 5.057 89 HA SER 11 HA SER 11 -4.618 -11.169 6.421 90 1HB SER 11 2HB SER 11 -5.843 -13.696 7.539 91 2HB SER 11 1HB SER 11 -4.489 -12.774 8.193 92 HG SER 11 HG SER 11 -5.901 -11.667 9.262 93 H LEU 12 H LEU 12 -3.150 -11.586 4.900 94 HA LEU 12 HA LEU 12 -2.658 -14.367 4.187 95 1HB LEU 12 2HB LEU 12 -4.066 -13.598 2.386 96 2HB LEU 12 1HB LEU 12 -3.098 -12.151 2.196 97 HG LEU 12 HG LEU 12 -1.361 -13.290 1.140 98 1HD1 LEU 12 1HD1 LEU 12 -0.677 -15.135 2.201 99 2HD1 LEU 12 2HD1 LEU 12 -1.759 -15.977 1.093 100 3HD1 LEU 12 3HD1 LEU 12 -2.308 -15.565 2.717 101 1HD2 LEU 12 1HD2 LEU 12 -2.792 -15.058 -0.339 102 2HD2 LEU 12 2HD2 LEU 12 -2.761 -13.317 -0.613 103 3HD2 LEU 12 3HD2 LEU 12 -4.074 -14.041 0.317 104 H THR 13 H THR 13 -0.527 -14.823 4.154 105 HA THR 13 HA THR 13 1.306 -12.602 4.617 106 HB THR 13 HB THR 13 1.961 -15.541 4.735 107 HG1 THR 13 1HG THR 13 1.370 -15.496 6.870 108 1HG2 THR 13 1HG2 THR 13 3.148 -13.280 6.309 109 2HG2 THR 13 2HG2 THR 13 3.828 -13.870 4.793 110 3HG2 THR 13 3HG2 THR 13 3.720 -14.943 6.188 111 H LEU 14 H LEU 14 2.271 -11.726 2.965 112 HA LEU 14 HA LEU 14 3.518 -13.415 0.931 113 1HB LEU 14 2HB LEU 14 2.004 -10.923 0.201 114 2HB LEU 14 1HB LEU 14 2.786 -12.038 -0.887 115 HG LEU 14 HG LEU 14 0.316 -12.561 0.758 116 1HD1 LEU 14 1HD1 LEU 14 0.778 -12.154 -2.185 117 2HD1 LEU 14 2HD1 LEU 14 -0.229 -11.192 -1.101 118 3HD1 LEU 14 3HD1 LEU 14 -0.705 -12.838 -1.520 119 1HD2 LEU 14 1HD2 LEU 14 0.681 -14.729 0.557 120 2HD2 LEU 14 2HD2 LEU 14 2.212 -14.408 -0.256 121 3HD2 LEU 14 3HD2 LEU 14 0.731 -14.560 -1.198 122 H TRP 15 H TRP 15 5.032 -11.890 -0.464 123 HA TRP 15 HA TRP 15 6.328 -10.173 1.524 124 1HB TRP 15 2HB TRP 15 8.356 -10.877 0.844 125 2HB TRP 15 1HB TRP 15 7.429 -12.266 0.322 126 HD1 TRP 15 HD TRP 15 6.374 -10.595 -2.434 127 HE1 TRP 15 1HE TRP 15 8.081 -10.498 -4.363 128 HE3 TRP 15 3HE TRP 15 10.666 -11.642 0.152 129 HZ2 TRP 15 2HZ TRP 15 10.835 -10.822 -4.759 130 HZ3 TRP 15 3HZ TRP 15 12.785 -11.733 -1.086 131 HH2 TRP 15 HH TRP 15 12.870 -11.335 -3.486 132 H LEU 16 H LEU 16 7.133 -8.218 1.075 133 HA LEU 16 HA LEU 16 6.519 -6.959 -1.476 134 1HB LEU 16 2HB LEU 16 5.523 -4.997 -0.263 135 2HB LEU 16 1HB LEU 16 4.538 -6.449 -0.276 136 HG LEU 16 HG LEU 16 5.894 -6.762 2.068 137 1HD1 LEU 16 1HD1 LEU 16 6.827 -4.418 1.635 138 2HD1 LEU 16 2HD1 LEU 16 6.129 -4.748 3.220 139 3HD1 LEU 16 3HD1 LEU 16 5.204 -3.845 2.021 140 1HD2 LEU 16 1HD2 LEU 16 3.708 -7.106 2.415 141 2HD2 LEU 16 2HD2 LEU 16 3.228 -5.885 1.237 142 3HD2 LEU 16 3HD2 LEU 16 3.668 -5.404 2.876 143 H ASP 17 H ASP 17 7.867 -5.244 -1.988 144 HA ASP 17 HA ASP 17 9.806 -4.051 -1.981 145 1HB ASP 17 2HB ASP 17 8.771 -3.779 0.799 146 2HB ASP 17 1HB ASP 17 10.418 -3.238 0.488 147 H ASP 18 H ASP 18 10.056 -6.866 -1.863 148 HA ASP 18 HA ASP 18 11.644 -8.469 -1.616 149 1HB ASP 18 2HB ASP 18 13.315 -6.037 -0.987 150 2HB ASP 18 1HB ASP 18 13.990 -7.662 -1.036 151 H LYS 19 H LYS 19 9.880 -7.989 0.544 152 HA LYS 19 HA LYS 19 11.360 -9.304 2.641 153 1HB LYS 19 2HB LYS 19 11.095 -6.511 2.769 154 2HB LYS 19 1HB LYS 19 9.909 -7.146 3.902 155 1HG LYS 19 2HG LYS 19 11.755 -8.534 4.892 156 2HG LYS 19 1HG LYS 19 12.877 -7.615 3.887 157 1HD LYS 19 2HD LYS 19 11.409 -5.632 5.062 158 2HD LYS 19 1HD LYS 19 11.477 -6.845 6.342 159 1HE LYS 19 2HE LYS 19 13.435 -5.830 6.819 160 2HE LYS 19 1HE LYS 19 14.041 -6.876 5.536 161 1HZ LYS 19 1HZ LYS 19 13.337 -4.007 5.376 162 2HZ LYS 19 2HZ LYS 19 13.498 -4.964 3.991 163 3HZ LYS 19 3HZ LYS 19 14.820 -4.746 5.024 164 H MET 20 H MET 20 10.100 -10.876 3.377 165 HA MET 20 HA MET 20 7.371 -11.083 2.669 166 1HB MET 20 2HB MET 20 9.362 -12.770 3.793 167 2HB MET 20 1HB MET 20 7.956 -12.828 4.845 168 1HG MET 20 2HG MET 20 7.158 -14.364 3.459 169 2HG MET 20 1HG MET 20 6.853 -13.038 2.338 170 1HE MET 20 1HE MET 20 6.740 -14.115 0.456 171 2HE MET 20 2HE MET 20 7.510 -15.683 0.205 172 3HE MET 20 3HE MET 20 8.146 -14.249 -0.601 173 H PHE 21 H PHE 21 5.518 -10.789 3.821 174 HA PHE 21 HA PHE 21 5.473 -10.177 6.611 175 1HB PHE 21 2HB PHE 21 6.224 -8.032 5.184 176 2HB PHE 21 1HB PHE 21 4.479 -7.873 5.016 177 HD1 PHE 21 1HD PHE 21 3.367 -6.629 6.585 178 HD2 PHE 21 2HD PHE 21 7.018 -8.525 7.672 179 HE1 PHE 21 1HE PHE 21 3.249 -5.574 8.806 180 HE2 PHE 21 2HE PHE 21 6.906 -7.476 9.894 181 HZ PHE 21 HZ PHE 21 5.020 -5.999 10.464 182 H THR 22 H THR 22 3.134 -9.071 7.045 183 HA THR 22 HA THR 22 1.229 -10.726 5.522 184 HB THR 22 HB THR 22 -0.177 -10.427 7.688 185 HG1 THR 22 1HG THR 22 2.433 -9.960 8.692 186 1HG2 THR 22 1HG2 THR 22 0.700 -12.585 7.061 187 2HG2 THR 22 2HG2 THR 22 0.906 -12.323 8.793 188 3HG2 THR 22 3HG2 THR 22 2.285 -12.154 7.704 189 H GLY 23 H GLY 23 -0.933 -9.894 5.252 190 1HA GLY 23 2HA GLY 23 -1.312 -7.024 5.635 191 2HA GLY 23 1HA GLY 23 -1.304 -7.602 3.976 192 H LEU 24 H LEU 24 -3.558 -6.436 4.466 193 HA LEU 24 HA LEU 24 -5.434 -8.570 5.255 194 1HB LEU 24 2HB LEU 24 -6.994 -6.417 5.454 195 2HB LEU 24 1HB LEU 24 -6.026 -7.013 6.786 196 HG LEU 24 HG LEU 24 -4.253 -5.358 6.139 197 1HD1 LEU 24 1HD1 LEU 24 -4.589 -4.752 3.953 198 2HD1 LEU 24 2HD1 LEU 24 -5.334 -3.392 4.793 199 3HD1 LEU 24 3HD1 LEU 24 -6.342 -4.678 4.128 200 1HD2 LEU 24 1HD2 LEU 24 -5.140 -3.840 7.552 201 2HD2 LEU 24 2HD2 LEU 24 -6.390 -5.068 7.752 202 3HD2 LEU 24 3HD2 LEU 24 -6.649 -3.719 6.647 203 H ILE 25 H ILE 25 -6.414 -9.451 3.576 204 HA ILE 25 HA ILE 25 -6.772 -7.863 1.135 205 HB ILE 25 HB ILE 25 -7.420 -10.771 1.211 206 1HG1 ILE 25 2HG1 ILE 25 -4.602 -9.659 1.089 207 2HG1 ILE 25 1HG1 ILE 25 -5.265 -10.665 2.374 208 1HG2 ILE 25 1HG2 ILE 25 -6.296 -8.855 -0.817 209 2HG2 ILE 25 2HG2 ILE 25 -7.865 -9.662 -0.827 210 3HG2 ILE 25 3HG2 ILE 25 -6.390 -10.596 -1.084 211 1HD1 ILE 25 1HD1 ILE 25 -5.158 -12.568 1.122 212 2HD1 ILE 25 2HD1 ILE 25 -3.775 -11.683 0.479 213 3HD1 ILE 25 3HD1 ILE 25 -5.299 -11.706 -0.409 214 H ASN 26 H ASN 26 -8.679 -6.873 0.981 215 HA ASN 26 HA ASN 26 -11.005 -8.005 2.280 216 1HB ASN 26 2HB ASN 26 -11.019 -5.721 2.568 217 2HB ASN 26 1HB ASN 26 -10.385 -5.388 0.962 218 1HD2 ASN 26 1HD2 ASN 26 -13.190 -7.192 2.184 219 2HD2 ASN 26 2HD2 ASN 26 -14.363 -6.338 1.246 220 H THR 27 H THR 27 -12.700 -8.891 1.280 221 HA THR 27 HA THR 27 -12.258 -10.090 -1.250 222 HB THR 27 HB THR 27 -13.453 -11.029 0.745 223 HG1 THR 27 1HG THR 27 -14.596 -11.103 -1.841 224 1HG2 THR 27 1HG2 THR 27 -14.951 -8.953 0.953 225 2HG2 THR 27 2HG2 THR 27 -15.652 -10.546 1.240 226 3HG2 THR 27 3HG2 THR 27 -15.926 -9.726 -0.297 227 H GLY 28 H GLY 28 -12.970 -7.001 -0.779 228 1HA GLY 28 2HA GLY 28 -14.253 -6.737 -3.356 229 2HA GLY 28 1HA GLY 28 -15.187 -6.139 -1.992 230 H ALA 29 H ALA 29 -11.776 -5.997 -3.009 231 HA ALA 29 HA ALA 29 -11.337 -3.427 -1.903 232 1HB ALA 29 1HB ALA 29 -9.388 -3.709 -3.812 233 2HB ALA 29 2HB ALA 29 -9.822 -5.382 -3.458 234 3HB ALA 29 3HB ALA 29 -9.298 -4.314 -2.156 235 H ASP 30 H ASP 30 -11.282 -1.421 -2.851 236 HA ASP 30 HA ASP 30 -11.788 -1.090 -5.673 237 1HB ASP 30 2HB ASP 30 -13.842 0.254 -5.353 238 2HB ASP 30 1HB ASP 30 -14.058 -1.429 -4.884 239 H VAL 31 H VAL 31 -10.026 -0.223 -3.206 240 HA VAL 31 HA VAL 31 -9.556 2.436 -4.249 241 HB VAL 31 HB VAL 31 -9.492 3.420 -1.934 242 1HG1 VAL 31 1HG1 VAL 31 -12.205 2.484 -2.858 243 2HG1 VAL 31 2HG1 VAL 31 -11.306 3.824 -3.571 244 3HG1 VAL 31 3HG1 VAL 31 -11.847 3.919 -1.895 245 1HG2 VAL 31 1HG2 VAL 31 -10.031 2.247 -0.109 246 2HG2 VAL 31 2HG2 VAL 31 -9.864 0.811 -1.120 247 3HG2 VAL 31 3HG2 VAL 31 -11.451 1.541 -0.881 248 H THR 32 H THR 32 -7.499 2.036 -4.839 249 HA THR 32 HA THR 32 -5.671 0.511 -3.261 250 HB THR 32 HB THR 32 -4.052 1.749 -4.975 251 HG1 THR 32 1HG THR 32 -5.367 3.161 -5.935 252 1HG2 THR 32 1HG2 THR 32 -5.953 -0.178 -6.216 253 2HG2 THR 32 2HG2 THR 32 -4.857 -0.704 -4.939 254 3HG2 THR 32 3HG2 THR 32 -4.210 -0.026 -6.433 255 H ILE 33 H ILE 33 -5.219 1.355 -1.301 256 HA ILE 33 HA ILE 33 -3.963 4.006 -1.275 257 HB ILE 33 HB ILE 33 -5.699 3.264 1.031 258 1HG1 ILE 33 2HG1 ILE 33 -7.121 3.006 -0.996 259 2HG1 ILE 33 1HG1 ILE 33 -7.638 4.331 0.039 260 1HG2 ILE 33 1HG2 ILE 33 -5.830 5.642 1.341 261 2HG2 ILE 33 2HG2 ILE 33 -5.029 5.924 -0.205 262 3HG2 ILE 33 3HG2 ILE 33 -4.142 5.176 1.123 263 1HD1 ILE 33 1HD1 ILE 33 -7.452 5.764 -1.631 264 2HD1 ILE 33 2HD1 ILE 33 -7.092 4.406 -2.699 265 3HD1 ILE 33 3HD1 ILE 33 -5.778 5.286 -1.918 266 H ILE 34 H ILE 34 -2.292 4.253 0.068 267 HA ILE 34 HA ILE 34 -1.683 2.182 2.038 268 HB ILE 34 HB ILE 34 -0.296 2.437 -0.442 269 1HG1 ILE 34 2HG1 ILE 34 1.047 0.556 0.530 270 2HG1 ILE 34 1HG1 ILE 34 0.220 0.824 2.060 271 1HG2 ILE 34 1HG2 ILE 34 1.111 4.151 0.434 272 2HG2 ILE 34 2HG2 ILE 34 2.042 2.655 0.436 273 3HG2 ILE 34 3HG2 ILE 34 1.352 3.264 1.940 274 1HD1 ILE 34 1HD1 ILE 34 -0.577 -0.840 -0.006 275 2HD1 ILE 34 2HD1 ILE 34 -1.657 0.550 -0.112 276 3HD1 ILE 34 3HD1 ILE 34 -1.532 -0.357 1.396 277 H LYS 35 H LYS 35 -1.578 3.260 3.887 278 HA LYS 35 HA LYS 35 -1.534 5.962 4.226 279 1HB LYS 35 2HB LYS 35 -0.892 5.504 6.567 280 2HB LYS 35 1HB LYS 35 -2.146 4.417 5.989 281 1HG LYS 35 2HG LYS 35 0.730 3.614 5.889 282 2HG LYS 35 1HG LYS 35 -0.215 3.457 7.363 283 1HD LYS 35 2HD LYS 35 -1.915 2.304 5.667 284 2HD LYS 35 1HD LYS 35 -0.401 1.950 4.832 285 1HE LYS 35 2HE LYS 35 0.236 1.322 7.402 286 2HE LYS 35 1HE LYS 35 -1.471 0.881 7.348 287 1HZ LYS 35 1HZ LYS 35 -0.981 -0.926 6.188 288 2HZ LYS 35 2HZ LYS 35 0.661 -0.599 6.416 289 3HZ LYS 35 3HZ LYS 35 -0.126 -0.041 5.027 290 H LEU 36 H LEU 36 0.040 7.332 5.322 291 HA LEU 36 HA LEU 36 2.455 7.457 3.815 292 1HB LEU 36 2HB LEU 36 0.888 9.229 5.255 293 2HB LEU 36 1HB LEU 36 2.375 9.146 6.180 294 HG LEU 36 HG LEU 36 2.827 9.463 3.307 295 1HD1 LEU 36 1HD1 LEU 36 0.640 10.809 4.041 296 2HD1 LEU 36 2HD1 LEU 36 1.810 11.438 2.880 297 3HD1 LEU 36 3HD1 LEU 36 1.869 11.961 4.564 298 1HD2 LEU 36 1HD2 LEU 36 3.733 11.457 5.280 299 2HD2 LEU 36 2HD2 LEU 36 4.629 10.622 4.012 300 3HD2 LEU 36 3HD2 LEU 36 4.285 9.801 5.534 301 H GLU 37 H GLU 37 1.603 6.221 6.949 302 HA GLU 37 HA GLU 37 4.080 6.261 8.224 303 1HB GLU 37 2HB GLU 37 1.817 4.270 8.418 304 2HB GLU 37 1HB GLU 37 3.210 4.269 9.493 305 1HG GLU 37 2HG GLU 37 2.621 6.592 10.152 306 2HG GLU 37 1HG GLU 37 1.152 6.440 9.190 307 H ASP 38 H ASP 38 2.983 4.359 5.567 308 HA ASP 38 HA ASP 38 5.208 2.479 5.855 309 1HB ASP 38 2HB ASP 38 2.552 2.253 4.857 310 2HB ASP 38 1HB ASP 38 3.655 1.941 3.521 311 H TRP 39 H TRP 39 4.500 5.387 4.314 312 HA TRP 39 HA TRP 39 5.839 4.982 1.843 313 1HB TRP 39 2HB TRP 39 4.665 6.885 1.548 314 2HB TRP 39 1HB TRP 39 4.607 7.219 3.273 315 HD1 TRP 39 HD TRP 39 6.672 7.975 0.142 316 HE1 TRP 39 1HE TRP 39 8.252 9.945 0.644 317 HE3 TRP 39 3HE TRP 39 5.845 8.419 5.170 318 HZ2 TRP 39 2HZ TRP 39 9.035 11.487 2.873 319 HZ3 TRP 39 3HZ TRP 39 7.048 10.169 6.411 320 HH2 TRP 39 HH TRP 39 8.610 11.670 5.286 321 HA PRO 40 HA PRO 40 10.062 5.151 3.136 322 1HB PRO 40 2HB PRO 40 11.216 6.036 0.845 323 2HB PRO 40 1HB PRO 40 10.605 4.392 1.040 324 1HG PRO 40 2HG PRO 40 9.321 6.739 -0.296 325 2HG PRO 40 1HG PRO 40 9.394 5.048 -0.827 326 1HD PRO 40 2HD PRO 40 7.206 6.106 0.361 327 2HD PRO 40 1HD PRO 40 7.671 4.405 0.554 328 HA PRO 41 HA PRO 41 10.354 9.513 4.243 329 1HB PRO 41 2HB PRO 41 12.299 9.253 6.092 330 2HB PRO 41 1HB PRO 41 10.627 8.779 6.413 331 1HG PRO 41 2HG PRO 41 12.971 7.073 5.670 332 2HG PRO 41 1HG PRO 41 11.712 6.778 6.883 333 1HD PRO 41 2HD PRO 41 11.697 5.647 4.401 334 2HD PRO 41 1HD PRO 41 10.222 5.993 5.324 335 H ASN 42 H ASN 42 12.533 7.571 2.575 336 HA ASN 42 HA ASN 42 14.886 9.085 2.587 337 1HB ASN 42 2HB ASN 42 14.386 6.730 1.589 338 2HB ASN 42 1HB ASN 42 13.946 7.624 0.137 339 1HD2 ASN 42 1HD2 ASN 42 16.192 5.764 0.830 340 2HD2 ASN 42 2HD2 ASN 42 17.620 6.616 0.361 341 H TRP 43 H TRP 43 11.945 9.364 0.651 342 HA TRP 43 HA TRP 43 12.968 11.936 -0.352 343 1HB TRP 43 2HB TRP 43 11.968 11.564 -2.496 344 2HB TRP 43 1HB TRP 43 12.937 10.146 -2.113 345 HD1 TRP 43 HD TRP 43 9.205 11.202 -1.819 346 HE1 TRP 43 1HE TRP 43 7.757 9.138 -2.343 347 HE3 TRP 43 3HE TRP 43 12.918 7.754 -2.489 348 HZ2 TRP 43 2HZ TRP 43 8.138 6.422 -2.952 349 HZ3 TRP 43 3HZ TRP 43 12.286 5.440 -3.038 350 HH2 TRP 43 HH TRP 43 9.941 4.795 -3.264 351 HA PRO 44 HA PRO 44 9.229 13.652 1.269 352 1HB PRO 44 2HB PRO 44 9.256 15.740 -0.746 353 2HB PRO 44 1HB PRO 44 9.619 15.861 0.975 354 1HG PRO 44 2HG PRO 44 11.500 16.147 -0.972 355 2HG PRO 44 1HG PRO 44 11.865 15.546 0.656 356 1HD PRO 44 2HD PRO 44 11.506 14.025 -1.895 357 2HD PRO 44 1HD PRO 44 12.669 13.765 -0.577 358 H ILE 45 H ILE 45 7.023 13.786 0.854 359 HA ILE 45 HA ILE 45 6.159 13.196 -1.892 360 HB ILE 45 HB ILE 45 4.376 11.702 -0.880 361 1HG1 ILE 45 2HG1 ILE 45 5.601 10.616 1.297 362 2HG1 ILE 45 1HG1 ILE 45 5.997 12.317 1.512 363 1HG2 ILE 45 1HG2 ILE 45 7.268 10.863 -0.789 364 2HG2 ILE 45 2HG2 ILE 45 6.180 10.789 -2.176 365 3HG2 ILE 45 3HG2 ILE 45 5.898 9.751 -0.777 366 1HD1 ILE 45 1HD1 ILE 45 3.969 12.733 2.277 367 2HD1 ILE 45 2HD1 ILE 45 3.629 11.004 2.196 368 3HD1 ILE 45 3HD1 ILE 45 3.234 12.044 0.829 369 H THR 46 H THR 46 3.628 13.268 -1.926 370 HA THR 46 HA THR 46 2.892 15.931 -1.343 371 HB THR 46 HB THR 46 0.506 14.677 -1.851 372 HG1 THR 46 1HG THR 46 1.145 13.188 -3.575 373 1HG2 THR 46 1HG2 THR 46 2.293 15.215 -4.164 374 2HG2 THR 46 2HG2 THR 46 1.843 16.549 -3.102 375 3HG2 THR 46 3HG2 THR 46 0.592 15.619 -3.928 376 H ASP 47 H ASP 47 0.499 16.146 -0.267 377 HA ASP 47 HA ASP 47 -0.235 14.629 1.922 378 1HB ASP 47 2HB ASP 47 2.196 15.594 2.532 379 2HB ASP 47 1HB ASP 47 1.216 16.986 3.003 380 H THR 48 H THR 48 0.403 17.994 1.053 381 HA THR 48 HA THR 48 -2.418 18.616 1.555 382 HB THR 48 HB THR 48 -1.389 19.404 3.522 383 HG1 THR 48 1HG THR 48 -1.384 21.663 1.818 384 1HG2 THR 48 1HG2 THR 48 0.538 21.255 2.920 385 2HG2 THR 48 2HG2 THR 48 0.896 19.934 1.809 386 3HG2 THR 48 3HG2 THR 48 0.821 19.630 3.544 387 H LEU 49 H LEU 49 -3.322 20.139 0.350 388 HA LEU 49 HA LEU 49 -1.767 21.295 -1.867 389 1HB LEU 49 2HB LEU 49 -3.422 19.362 -2.368 390 2HB LEU 49 1HB LEU 49 -4.659 20.548 -2.068 391 HG LEU 49 HG LEU 49 -4.096 21.810 -3.972 392 1HD1 LEU 49 1HD1 LEU 49 -1.967 20.593 -5.255 393 2HD1 LEU 49 2HD1 LEU 49 -1.465 20.671 -3.569 394 3HD1 LEU 49 3HD1 LEU 49 -1.941 22.142 -4.413 395 1HD2 LEU 49 1HD2 LEU 49 -5.013 19.324 -4.203 396 2HD2 LEU 49 2HD2 LEU 49 -3.532 19.156 -5.147 397 3HD2 LEU 49 3HD2 LEU 49 -4.731 20.369 -5.597 398 H THR 50 H THR 50 -3.288 23.093 -2.949 399 HA THR 50 HA THR 50 -3.990 24.908 -0.752 400 HB THR 50 HB THR 50 -3.927 26.565 -2.841 401 HG1 THR 50 1HG THR 50 -2.072 24.555 -3.575 402 1HG2 THR 50 1HG2 THR 50 -1.578 25.501 -1.314 403 2HG2 THR 50 2HG2 THR 50 -2.475 26.996 -1.055 404 3HG2 THR 50 3HG2 THR 50 -1.439 26.825 -2.471 405 H ASN 51 H ASN 51 -6.065 25.178 -0.318 406 HA ASN 51 HA ASN 51 -8.012 25.190 -2.519 407 1HB ASN 51 2HB ASN 51 -7.938 23.080 -0.933 408 2HB ASN 51 1HB ASN 51 -8.798 24.149 0.166 409 1HD2 ASN 51 1HD2 ASN 51 -10.906 23.982 0.070 410 2HD2 ASN 51 2HD2 ASN 51 -11.838 23.548 -1.319 411 H LEU 52 H LEU 52 -7.752 27.517 -2.352 412 HA LEU 52 HA LEU 52 -8.656 28.695 0.142 413 1HB LEU 52 2HB LEU 52 -7.314 29.714 -2.305 414 2HB LEU 52 1HB LEU 52 -8.226 30.830 -1.322 415 HG LEU 52 HG LEU 52 -6.604 30.983 0.210 416 1HD1 LEU 52 1HD1 LEU 52 -6.436 27.985 0.056 417 2HD1 LEU 52 2HD1 LEU 52 -7.108 28.979 1.348 418 3HD1 LEU 52 3HD1 LEU 52 -5.367 28.951 1.071 419 1HD2 LEU 52 1HD2 LEU 52 -4.432 30.667 -0.560 420 2HD2 LEU 52 2HD2 LEU 52 -5.388 30.873 -2.028 421 3HD2 LEU 52 3HD2 LEU 52 -4.881 29.259 -1.525 422 H ARG 53 H ARG 53 -10.638 29.113 0.535 423 HA ARG 53 HA ARG 53 -12.631 29.119 -1.552 424 1HB ARG 53 2HB ARG 53 -12.797 29.236 1.446 425 2HB ARG 53 1HB ARG 53 -14.208 29.417 0.422 426 1HG ARG 53 2HG ARG 53 -13.924 27.210 -0.462 427 2HG ARG 53 1HG ARG 53 -12.380 27.029 0.373 428 1HD ARG 53 2HD ARG 53 -15.003 27.480 1.783 429 2HD ARG 53 1HD ARG 53 -14.327 25.882 1.467 430 HE ARG 53 HE ARG 53 -12.315 27.148 2.745 431 1HH1 ARG 53 1HH1 ARG 53 -15.698 26.719 3.490 432 2HH1 ARG 53 2HH1 ARG 53 -15.453 26.754 5.204 433 1HH2 ARG 53 1HH2 ARG 53 -11.992 27.192 4.999 434 2HH2 ARG 53 2HH2 ARG 53 -13.350 27.021 6.061 435 H GLY 54 H GLY 54 -10.607 31.424 -0.879 436 1HA GLY 54 2HA GLY 54 -10.689 33.711 -1.262 437 2HA GLY 54 1HA GLY 54 -12.397 33.542 -1.623 438 H ILE 55 H ILE 55 -13.634 32.827 0.396 439 HA ILE 55 HA ILE 55 -13.044 34.757 2.502 440 HB ILE 55 HB ILE 55 -15.413 34.159 3.268 441 1HG1 ILE 55 2HG1 ILE 55 -15.410 32.892 0.524 442 2HG1 ILE 55 1HG1 ILE 55 -15.813 32.130 2.054 443 1HG2 ILE 55 1HG2 ILE 55 -14.834 36.268 2.190 444 2HG2 ILE 55 2HG2 ILE 55 -16.431 35.714 1.685 445 3HG2 ILE 55 3HG2 ILE 55 -15.050 35.524 0.605 446 1HD1 ILE 55 1HD1 ILE 55 -17.410 33.838 0.278 447 2HD1 ILE 55 2HD1 ILE 55 -17.649 34.066 2.011 448 3HD1 ILE 55 3HD1 ILE 55 -17.895 32.476 1.287 449 H GLY 56 H GLY 56 -12.879 31.503 1.684 450 1HA GLY 56 2HA GLY 56 -12.456 30.786 4.525 451 2HA GLY 56 1HA GLY 56 -13.295 29.705 3.423 452 H GLN 57 H GLN 57 -10.254 31.594 3.331 453 HA GLN 57 HA GLN 57 -8.810 30.017 1.634 454 1HB GLN 57 2HB GLN 57 -6.776 30.811 2.923 455 2HB GLN 57 1HB GLN 57 -7.858 32.065 2.333 456 1HG GLN 57 2HG GLN 57 -8.509 32.682 4.412 457 2HG GLN 57 1HG GLN 57 -8.335 31.057 5.072 458 1HE2 GLN 57 1HE2 GLN 57 -6.459 30.471 6.030 459 2HE2 GLN 57 2HE2 GLN 57 -5.113 31.532 6.252 460 H SER 58 H SER 58 -9.063 27.834 1.809 461 HA SER 58 HA SER 58 -8.059 26.564 4.270 462 1HB SER 58 2HB SER 58 -10.156 25.671 2.295 463 2HB SER 58 1HB SER 58 -9.385 24.542 3.408 464 HG SER 58 HG SER 58 -10.102 25.951 5.119 465 H ASN 59 H ASN 59 -7.319 24.183 3.682 466 HA ASN 59 HA ASN 59 -5.518 24.391 1.357 467 1HB ASN 59 2HB ASN 59 -5.026 23.111 4.050 468 2HB ASN 59 1HB ASN 59 -3.962 22.910 2.661 469 1HD2 ASN 59 1HD2 ASN 59 -3.959 24.345 5.427 470 2HD2 ASN 59 2HD2 ASN 59 -3.220 25.863 5.057 471 H ASN 60 H ASN 60 -5.882 22.928 -0.188 472 HA ASN 60 HA ASN 60 -7.765 20.830 0.160 473 1HB ASN 60 2HB ASN 60 -6.280 21.989 -2.047 474 2HB ASN 60 1HB ASN 60 -6.301 20.233 -2.154 475 1HD2 ASN 60 1HD2 ASN 60 -7.518 21.584 -4.093 476 2HD2 ASN 60 2HD2 ASN 60 -9.236 21.462 -3.956 477 HA PRO 61 HA PRO 61 -4.925 17.527 1.107 478 1HB PRO 61 2HB PRO 61 -6.337 15.449 0.349 479 2HB PRO 61 1HB PRO 61 -7.087 16.669 1.389 480 1HG PRO 61 2HG PRO 61 -7.472 16.175 -1.525 481 2HG PRO 61 1HG PRO 61 -8.630 16.773 -0.326 482 1HD PRO 61 2HD PRO 61 -6.989 18.322 -2.129 483 2HD PRO 61 1HD PRO 61 -8.144 18.914 -0.913 484 H LYS 62 H LYS 62 -2.905 17.173 0.166 485 HA LYS 62 HA LYS 62 -2.860 16.009 -2.542 486 1HB LYS 62 2HB LYS 62 -0.693 17.316 -0.906 487 2HB LYS 62 1HB LYS 62 -0.365 16.409 -2.367 488 1HG LYS 62 2HG LYS 62 -2.233 18.059 -3.313 489 2HG LYS 62 1HG LYS 62 -1.564 19.068 -2.036 490 1HD LYS 62 2HD LYS 62 0.337 17.671 -3.841 491 2HD LYS 62 1HD LYS 62 -0.554 19.044 -4.495 492 1HE LYS 62 2HE LYS 62 0.244 20.411 -2.590 493 2HE LYS 62 1HE LYS 62 1.209 19.039 -2.048 494 1HZ LYS 62 1HZ LYS 62 2.557 20.564 -3.313 495 2HZ LYS 62 2HZ LYS 62 1.502 20.474 -4.632 496 3HZ LYS 62 3HZ LYS 62 2.396 19.114 -4.172 497 H GLN 63 H GLN 63 -2.210 13.949 -2.811 498 HA GLN 63 HA GLN 63 -1.216 12.518 -0.440 499 1HB GLN 63 2HB GLN 63 -2.502 10.522 -1.626 500 2HB GLN 63 1HB GLN 63 -3.301 11.605 -0.497 501 1HG GLN 63 2HG GLN 63 -3.323 12.339 -3.371 502 2HG GLN 63 1HG GLN 63 -4.342 10.999 -2.848 503 1HE2 GLN 63 1HE2 GLN 63 -6.332 11.791 -2.844 504 2HE2 GLN 63 2HE2 GLN 63 -6.841 13.224 -2.023 505 H SER 64 H SER 64 0.520 11.317 -0.669 506 HA SER 64 HA SER 64 2.189 11.411 -2.895 507 1HB SER 64 2HB SER 64 2.736 10.678 -0.489 508 2HB SER 64 1HB SER 64 2.220 9.079 -1.011 509 HG SER 64 HG SER 64 4.128 10.546 -2.472 510 H SER 65 H SER 65 3.013 9.493 -4.125 511 HA SER 65 HA SER 65 0.745 7.869 -5.075 512 1HB SER 65 2HB SER 65 1.939 7.839 -7.285 513 2HB SER 65 1HB SER 65 1.375 9.435 -6.792 514 HG SER 65 HG SER 65 3.397 10.074 -6.467 515 H LYS 66 H LYS 66 3.934 7.828 -3.793 516 HA LYS 66 HA LYS 66 5.394 5.818 -4.551 517 1HB LYS 66 2HB LYS 66 5.918 6.699 -2.438 518 2HB LYS 66 1HB LYS 66 4.349 6.274 -1.770 519 1HG LYS 66 2HG LYS 66 6.273 4.895 -0.960 520 2HG LYS 66 1HG LYS 66 4.925 3.979 -1.634 521 1HD LYS 66 2HD LYS 66 6.108 3.367 -3.513 522 2HD LYS 66 1HD LYS 66 7.185 4.761 -3.418 523 1HE LYS 66 2HE LYS 66 8.702 3.477 -2.427 524 2HE LYS 66 1HE LYS 66 7.599 3.270 -1.068 525 1HZ LYS 66 1HZ LYS 66 7.624 1.125 -1.603 526 2HZ LYS 66 2HZ LYS 66 8.343 1.404 -3.108 527 3HZ LYS 66 3HZ LYS 66 6.665 1.526 -2.938 528 H TYR 67 H TYR 67 5.001 3.944 -5.517 529 HA TYR 67 HA TYR 67 2.573 2.489 -4.927 530 1HB TYR 67 2HB TYR 67 2.839 1.447 -6.958 531 2HB TYR 67 1HB TYR 67 3.631 2.980 -7.250 532 HD1 TYR 67 1HD TYR 67 3.889 0.092 -8.530 533 HD2 TYR 67 2HD TYR 67 6.247 2.394 -5.842 534 HE1 TYR 67 1HE TYR 67 5.891 -1.105 -9.280 535 HE2 TYR 67 2HE TYR 67 8.266 1.200 -6.583 536 HH TYR 67 HH TYR 67 8.800 -0.164 -9.041 537 H LEU 68 H LEU 68 2.445 0.328 -4.351 538 HA LEU 68 HA LEU 68 4.831 -0.665 -2.952 539 1HB LEU 68 2HB LEU 68 2.353 -0.121 -1.877 540 2HB LEU 68 1HB LEU 68 2.278 -1.850 -2.161 541 HG LEU 68 HG LEU 68 4.121 -2.273 -0.733 542 1HD1 LEU 68 1HD1 LEU 68 4.678 0.568 -1.211 543 2HD1 LEU 68 2HD1 LEU 68 5.780 -0.788 -0.971 544 3HD1 LEU 68 3HD1 LEU 68 5.021 -0.012 0.421 545 1HD2 LEU 68 1HD2 LEU 68 3.055 -1.916 1.213 546 2HD2 LEU 68 2HD2 LEU 68 1.780 -1.264 0.185 547 3HD2 LEU 68 3HD2 LEU 68 2.938 -0.176 0.950 548 H THR 69 H THR 69 5.399 -2.772 -3.112 549 HA THR 69 HA THR 69 4.081 -4.284 -5.254 550 HB THR 69 HB THR 69 6.365 -5.397 -5.480 551 HG1 THR 69 1HG THR 69 8.093 -4.037 -4.731 552 1HG2 THR 69 1HG2 THR 69 5.744 -3.912 -7.194 553 2HG2 THR 69 2HG2 THR 69 7.375 -3.455 -6.700 554 3HG2 THR 69 3HG2 THR 69 5.990 -2.502 -6.160 555 H TRP 70 H TRP 70 2.981 -5.911 -4.532 556 HA TRP 70 HA TRP 70 3.908 -7.446 -2.212 557 1HB TRP 70 2HB TRP 70 1.762 -5.907 -2.039 558 2HB TRP 70 1HB TRP 70 1.002 -7.232 -2.913 559 HD1 TRP 70 HD TRP 70 3.616 -8.349 -0.454 560 HE1 TRP 70 1HE TRP 70 2.465 -9.383 1.607 561 HE3 TRP 70 3HE TRP 70 -1.203 -6.938 -1.414 562 HZ2 TRP 70 2HZ TRP 70 -0.135 -9.572 2.683 563 HZ3 TRP 70 3HZ TRP 70 -2.963 -7.585 0.181 564 HH2 TRP 70 HH TRP 70 -2.438 -8.876 2.186 565 H ARG 71 H ARG 71 4.238 -9.535 -2.685 566 HA ARG 71 HA ARG 71 2.635 -10.809 -4.718 567 1HB ARG 71 2HB ARG 71 5.040 -11.817 -5.446 568 2HB ARG 71 1HB ARG 71 4.215 -10.515 -6.282 569 1HG ARG 71 2HG ARG 71 5.967 -9.768 -4.029 570 2HG ARG 71 1HG ARG 71 6.742 -10.373 -5.492 571 1HD ARG 71 2HD ARG 71 5.859 -8.637 -6.801 572 2HD ARG 71 1HD ARG 71 4.684 -8.194 -5.565 573 HE ARG 71 HE ARG 71 6.317 -7.004 -4.456 574 1HH1 ARG 71 1HH1 ARG 71 7.763 -8.877 -7.025 575 2HH1 ARG 71 2HH1 ARG 71 9.293 -8.074 -6.914 576 1HH2 ARG 71 1HH2 ARG 71 8.332 -5.956 -4.308 577 2HH2 ARG 71 2HH2 ARG 71 9.617 -6.418 -5.373 578 H ASP 72 H ASP 72 2.638 -13.097 -4.615 579 HA ASP 72 HA ASP 72 3.141 -14.085 -1.964 580 1HB ASP 72 2HB ASP 72 2.129 -16.171 -2.785 581 2HB ASP 72 1HB ASP 72 1.124 -14.779 -3.180 582 H LYS 73 H LYS 73 4.251 -16.199 -1.688 583 HA LYS 73 HA LYS 73 6.901 -16.141 -2.068 584 1HB LYS 73 2HB LYS 73 5.276 -17.914 -0.940 585 2HB LYS 73 1HB LYS 73 5.642 -18.815 -2.399 586 1HG LYS 73 2HG LYS 73 8.107 -18.337 -1.811 587 2HG LYS 73 1HG LYS 73 7.481 -17.960 -0.205 588 1HD LYS 73 2HD LYS 73 8.085 -20.236 -0.124 589 2HD LYS 73 1HD LYS 73 6.327 -20.222 -0.288 590 1HE LYS 73 2HE LYS 73 6.877 -20.345 -2.847 591 2HE LYS 73 1HE LYS 73 8.419 -20.979 -2.277 592 1HZ LYS 73 1HZ LYS 73 6.712 -22.697 -2.760 593 2HZ LYS 73 2HZ LYS 73 5.788 -22.093 -1.479 594 3HZ LYS 73 3HZ LYS 73 7.314 -22.758 -1.180 595 H GLU 74 H GLU 74 4.577 -17.047 -4.515 596 HA GLU 74 HA GLU 74 6.514 -18.190 -6.282 597 1HB GLU 74 2HB GLU 74 3.780 -18.243 -6.152 598 2HB GLU 74 1HB GLU 74 4.050 -17.142 -7.495 599 1HG GLU 74 2HG GLU 74 5.790 -19.261 -7.955 600 2HG GLU 74 1HG GLU 74 4.301 -20.010 -7.383 601 H ASN 75 H ASN 75 6.449 -15.190 -5.222 602 HA ASN 75 HA ASN 75 7.342 -13.238 -5.933 603 1HB ASN 75 2HB ASN 75 8.853 -14.983 -7.193 604 2HB ASN 75 1HB ASN 75 8.004 -14.385 -8.617 605 1HD2 ASN 75 1HD2 ASN 75 10.168 -13.568 -6.012 606 2HD2 ASN 75 2HD2 ASN 75 10.766 -12.102 -6.705 607 H ASN 76 H ASN 76 4.579 -13.560 -6.220 608 HA ASN 76 HA ASN 76 4.002 -11.456 -8.013 609 1HB ASN 76 2HB ASN 76 2.586 -12.752 -9.645 610 2HB ASN 76 1HB ASN 76 4.325 -12.982 -9.810 611 1HD2 ASN 76 1HD2 ASN 76 4.935 -14.990 -10.091 612 2HD2 ASN 76 2HD2 ASN 76 4.104 -16.400 -9.537 613 H SER 77 H SER 77 1.944 -10.643 -7.827 614 HA SER 77 HA SER 77 -0.318 -11.966 -6.921 615 1HB SER 77 2HB SER 77 -0.366 -11.890 -4.671 616 2HB SER 77 1HB SER 77 1.378 -11.737 -4.795 617 HG SER 77 HG SER 77 -0.528 -9.675 -4.471 618 H GLY 78 H GLY 78 1.435 -8.866 -6.730 619 1HA GLY 78 2HA GLY 78 -0.152 -7.391 -8.363 620 2HA GLY 78 1HA GLY 78 -1.033 -7.378 -6.846 621 H LEU 79 H LEU 79 0.503 -5.324 -8.487 622 HA LEU 79 HA LEU 79 1.581 -3.937 -6.208 623 1HB LEU 79 2HB LEU 79 3.788 -3.598 -7.036 624 2HB LEU 79 1HB LEU 79 3.486 -5.324 -6.992 625 HG LEU 79 HG LEU 79 2.769 -4.470 -9.581 626 1HD1 LEU 79 1HD1 LEU 79 5.580 -3.680 -9.323 627 2HD1 LEU 79 2HD1 LEU 79 4.422 -2.551 -8.618 628 3HD1 LEU 79 3HD1 LEU 79 4.292 -3.000 -10.319 629 1HD2 LEU 79 1HD2 LEU 79 5.413 -5.704 -9.151 630 2HD2 LEU 79 2HD2 LEU 79 4.082 -6.203 -10.193 631 3HD2 LEU 79 3HD2 LEU 79 4.031 -6.559 -8.466 632 H ILE 80 H ILE 80 1.073 -1.839 -6.388 633 HA ILE 80 HA ILE 80 1.096 -0.506 -8.951 634 HB ILE 80 HB ILE 80 -1.322 0.282 -8.638 635 1HG1 ILE 80 2HG1 ILE 80 -2.802 -1.437 -7.588 636 2HG1 ILE 80 1HG1 ILE 80 -1.364 -2.255 -6.990 637 1HG2 ILE 80 1HG2 ILE 80 -2.142 -1.438 -10.058 638 2HG2 ILE 80 2HG2 ILE 80 -0.961 -2.595 -9.443 639 3HG2 ILE 80 3HG2 ILE 80 -0.431 -1.232 -10.429 640 1HD1 ILE 80 1HD1 ILE 80 -1.884 0.613 -6.327 641 2HD1 ILE 80 2HD1 ILE 80 -0.883 -0.565 -5.478 642 3HD1 ILE 80 3HD1 ILE 80 -2.641 -0.692 -5.412 643 H LYS 81 H LYS 81 0.386 1.790 -8.767 644 HA LYS 81 HA LYS 81 1.462 2.917 -6.318 645 1HB LYS 81 2HB LYS 81 1.361 5.069 -7.583 646 2HB LYS 81 1HB LYS 81 2.346 3.828 -8.344 647 1HG LYS 81 2HG LYS 81 1.074 3.775 -10.170 648 2HG LYS 81 1HG LYS 81 -0.424 3.787 -9.239 649 1HD LYS 81 2HD LYS 81 -0.724 5.957 -9.644 650 2HD LYS 81 1HD LYS 81 0.892 6.341 -9.047 651 1HE LYS 81 2HE LYS 81 1.284 6.973 -11.164 652 2HE LYS 81 1HE LYS 81 1.465 5.247 -11.466 653 1HZ LYS 81 1HZ LYS 81 -0.038 6.360 -13.044 654 2HZ LYS 81 2HZ LYS 81 -1.080 6.745 -11.769 655 3HZ LYS 81 3HZ LYS 81 -0.806 5.127 -12.178 656 HA PRO 82 HA PRO 82 -2.800 3.878 -5.140 657 1HB PRO 82 2HB PRO 82 -2.554 3.397 -2.543 658 2HB PRO 82 1HB PRO 82 -2.534 2.060 -3.698 659 1HG PRO 82 2HG PRO 82 -0.288 3.302 -2.198 660 2HG PRO 82 1HG PRO 82 -0.501 1.622 -2.716 661 1HD PRO 82 2HD PRO 82 1.010 3.652 -4.016 662 2HD PRO 82 1HD PRO 82 0.674 2.020 -4.609 663 H PHE 83 H PHE 83 -3.337 5.121 -2.775 664 HA PHE 83 HA PHE 83 -1.868 7.649 -3.032 665 1HB PHE 83 2HB PHE 83 -4.736 7.014 -2.621 666 2HB PHE 83 1HB PHE 83 -4.106 8.404 -1.739 667 HD1 PHE 83 1HD PHE 83 -2.156 9.488 -3.633 668 HD2 PHE 83 2HD PHE 83 -6.051 7.909 -4.302 669 HE1 PHE 83 1HE PHE 83 -2.362 10.866 -5.663 670 HE2 PHE 83 2HE PHE 83 -6.266 9.285 -6.331 671 HZ PHE 83 HZ PHE 83 -4.420 10.765 -7.014 672 H VAL 84 H VAL 84 -0.594 8.141 -1.430 673 HA VAL 84 HA VAL 84 -0.851 6.797 1.114 674 HB VAL 84 HB VAL 84 1.401 8.624 0.407 675 1HG1 VAL 84 1HG1 VAL 84 2.585 7.483 1.977 676 2HG1 VAL 84 2HG1 VAL 84 1.643 6.005 1.772 677 3HG1 VAL 84 3HG1 VAL 84 0.954 7.379 2.640 678 1HG2 VAL 84 1HG2 VAL 84 2.539 6.497 -0.483 679 2HG2 VAL 84 2HG2 VAL 84 1.422 7.349 -1.549 680 3HG2 VAL 84 3HG2 VAL 84 0.901 5.888 -0.710 681 H ILE 85 H ILE 85 -1.942 7.740 2.654 682 HA ILE 85 HA ILE 85 -1.834 10.681 2.903 683 HB ILE 85 HB ILE 85 -4.032 9.270 4.285 684 1HG1 ILE 85 2HG1 ILE 85 -4.107 8.005 2.230 685 2HG1 ILE 85 1HG1 ILE 85 -5.420 9.178 2.208 686 1HG2 ILE 85 1HG2 ILE 85 -3.555 11.850 2.895 687 2HG2 ILE 85 2HG2 ILE 85 -4.249 11.528 4.484 688 3HG2 ILE 85 3HG2 ILE 85 -5.214 11.270 3.031 689 1HD1 ILE 85 1HD1 ILE 85 -4.651 10.124 0.358 690 2HD1 ILE 85 2HD1 ILE 85 -3.558 8.746 0.222 691 3HD1 ILE 85 3HD1 ILE 85 -3.013 10.231 1.003 692 HA PRO 86 HA PRO 86 -0.006 9.823 6.865 693 1HB PRO 86 2HB PRO 86 -0.012 12.272 7.923 694 2HB PRO 86 1HB PRO 86 0.978 11.893 6.507 695 1HG PRO 86 2HG PRO 86 -1.674 13.274 6.646 696 2HG PRO 86 1HG PRO 86 -0.246 13.691 5.685 697 1HD PRO 86 2HD PRO 86 -2.416 12.317 4.706 698 2HD PRO 86 1HD PRO 86 -0.779 12.203 4.029 699 H ASN 87 H ASN 87 -2.913 9.307 6.650 700 HA ASN 87 HA ASN 87 -3.592 9.877 9.444 701 1HB ASN 87 2HB ASN 87 -4.897 11.018 7.281 702 2HB ASN 87 1HB ASN 87 -5.940 9.671 7.727 703 1HD2 ASN 87 1HD2 ASN 87 -5.623 9.579 10.432 704 2HD2 ASN 87 2HD2 ASN 87 -6.239 11.027 11.145 705 H LEU 88 H LEU 88 -2.853 7.517 7.345 706 HA LEU 88 HA LEU 88 -3.071 5.257 7.392 707 1HB LEU 88 2HB LEU 88 -2.957 5.723 9.899 708 2HB LEU 88 1HB LEU 88 -4.702 5.554 9.901 709 HG LEU 88 HG LEU 88 -4.320 3.243 8.872 710 1HD1 LEU 88 1HD1 LEU 88 -1.593 3.454 10.083 711 2HD1 LEU 88 2HD1 LEU 88 -1.861 3.878 8.393 712 3HD1 LEU 88 3HD1 LEU 88 -2.229 2.250 8.963 713 1HD2 LEU 88 1HD2 LEU 88 -3.601 4.005 11.681 714 2HD2 LEU 88 2HD2 LEU 88 -3.628 2.319 11.164 715 3HD2 LEU 88 3HD2 LEU 88 -5.095 3.293 11.072 716 HA PRO 89 HA PRO 89 -7.328 5.589 5.661 717 1HB PRO 89 2HB PRO 89 -6.207 4.587 3.187 718 2HB PRO 89 1HB PRO 89 -6.945 6.157 3.507 719 1HG PRO 89 2HG PRO 89 -4.291 5.828 2.972 720 2HG PRO 89 1HG PRO 89 -4.934 7.155 3.954 721 1HD PRO 89 2HD PRO 89 -3.667 4.586 4.836 722 2HD PRO 89 1HD PRO 89 -3.433 6.232 5.469 723 H VAL 90 H VAL 90 -5.743 3.261 6.967 724 HA VAL 90 HA VAL 90 -6.270 1.108 7.479 725 HB VAL 90 HB VAL 90 -8.341 1.247 5.310 726 1HG1 VAL 90 1HG1 VAL 90 -8.694 -0.893 5.809 727 2HG1 VAL 90 2HG1 VAL 90 -9.147 -0.406 7.441 728 3HG1 VAL 90 3HG1 VAL 90 -7.474 -0.832 7.081 729 1HG2 VAL 90 1HG2 VAL 90 -9.538 2.632 6.568 730 2HG2 VAL 90 2HG2 VAL 90 -8.237 2.685 7.757 731 3HG2 VAL 90 3HG2 VAL 90 -9.504 1.466 7.890 732 H ASN 91 H ASN 91 -4.968 2.170 4.667 733 HA ASN 91 HA ASN 91 -3.933 1.232 2.866 734 1HB ASN 91 2HB ASN 91 -2.420 -0.625 3.433 735 2HB ASN 91 1HB ASN 91 -2.374 0.649 4.645 736 1HD2 ASN 91 1HD2 ASN 91 -2.951 -2.638 4.022 737 2HD2 ASN 91 2HD2 ASN 91 -3.412 -3.105 5.620 738 H LEU 92 H LEU 92 -5.643 0.754 1.516 739 HA LEU 92 HA LEU 92 -6.588 -2.044 1.573 740 1HB LEU 92 2HB LEU 92 -7.941 0.527 1.004 741 2HB LEU 92 1HB LEU 92 -8.353 -0.800 -0.062 742 HG LEU 92 HG LEU 92 -9.957 -0.689 1.731 743 1HD1 LEU 92 1HD1 LEU 92 -10.080 -2.915 1.975 744 2HD1 LEU 92 2HD1 LEU 92 -8.464 -3.031 2.673 745 3HD1 LEU 92 3HD1 LEU 92 -8.664 -2.934 0.922 746 1HD2 LEU 92 1HD2 LEU 92 -8.190 -1.470 3.904 747 2HD2 LEU 92 2HD2 LEU 92 -9.461 -0.247 3.858 748 3HD2 LEU 92 3HD2 LEU 92 -7.839 0.144 3.285 749 H TRP 93 H TRP 93 -6.276 -3.291 -0.173 750 HA TRP 93 HA TRP 93 -4.670 -2.230 -2.327 751 1HB TRP 93 2HB TRP 93 -4.985 -4.757 -1.135 752 2HB TRP 93 1HB TRP 93 -5.553 -4.912 -2.786 753 HD1 TRP 93 HD TRP 93 -3.457 -6.518 -3.277 754 HE1 TRP 93 1HE TRP 93 -1.020 -5.985 -3.881 755 HE3 TRP 93 3HE TRP 93 -3.257 -1.616 -1.746 756 HZ2 TRP 93 2HZ TRP 93 0.745 -3.805 -3.751 757 HZ3 TRP 93 3HZ TRP 93 -1.142 -0.395 -2.034 758 HH2 TRP 93 HH TRP 93 0.805 -1.466 -3.018 759 H GLY 94 H GLY 94 -5.264 -2.671 -4.585 760 1HA GLY 94 2HA GLY 94 -7.986 -1.789 -5.003 761 2HA GLY 94 1HA GLY 94 -6.728 -1.931 -6.214 762 H ARG 95 H ARG 95 -9.366 -2.727 -6.653 763 HA ARG 95 HA ARG 95 -9.908 -5.430 -6.194 764 1HB ARG 95 2HB ARG 95 -11.630 -3.900 -6.927 765 2HB ARG 95 1HB ARG 95 -10.793 -3.619 -8.441 766 1HG ARG 95 2HG ARG 95 -12.141 -5.172 -9.289 767 2HG ARG 95 1HG ARG 95 -11.131 -6.343 -8.440 768 1HD ARG 95 2HD ARG 95 -13.492 -6.715 -7.967 769 2HD ARG 95 1HD ARG 95 -12.621 -6.238 -6.510 770 HE ARG 95 HE ARG 95 -13.559 -3.890 -7.317 771 1HH1 ARG 95 1HH1 ARG 95 -15.161 -6.984 -7.079 772 2HH1 ARG 95 2HH1 ARG 95 -16.719 -6.290 -6.786 773 1HH2 ARG 95 1HH2 ARG 95 -15.607 -2.982 -6.929 774 2HH2 ARG 95 2HH2 ARG 95 -16.974 -4.021 -6.699 775 H ASP 96 H ASP 96 -8.096 -3.864 -8.790 776 HA ASP 96 HA ASP 96 -7.885 -6.040 -10.527 777 1HB ASP 96 2HB ASP 96 -7.098 -3.517 -10.717 778 2HB ASP 96 1HB ASP 96 -5.557 -4.199 -10.205 779 H LEU 97 H LEU 97 -5.680 -5.018 -7.932 780 HA LEU 97 HA LEU 97 -3.862 -7.150 -8.254 781 1HB LEU 97 2HB LEU 97 -4.413 -5.181 -6.082 782 2HB LEU 97 1HB LEU 97 -3.278 -6.496 -5.820 783 HG LEU 97 HG LEU 97 -2.142 -5.687 -7.981 784 1HD1 LEU 97 1HD1 LEU 97 -2.450 -3.336 -8.496 785 2HD1 LEU 97 2HD1 LEU 97 -3.722 -3.221 -7.281 786 3HD1 LEU 97 3HD1 LEU 97 -3.955 -4.226 -8.710 787 1HD2 LEU 97 1HD2 LEU 97 -1.214 -5.479 -5.735 788 2HD2 LEU 97 2HD2 LEU 97 -2.074 -3.954 -5.523 789 3HD2 LEU 97 3HD2 LEU 97 -0.809 -4.095 -6.744 790 H LEU 98 H LEU 98 -6.479 -6.656 -5.871 791 HA LEU 98 HA LEU 98 -6.147 -9.067 -4.510 792 1HB LEU 98 2HB LEU 98 -8.723 -7.566 -5.008 793 2HB LEU 98 1HB LEU 98 -8.485 -8.802 -3.790 794 HG LEU 98 HG LEU 98 -7.666 -5.959 -3.786 795 1HD1 LEU 98 1HD1 LEU 98 -8.327 -6.058 -1.532 796 2HD1 LEU 98 2HD1 LEU 98 -8.212 -7.818 -1.494 797 3HD1 LEU 98 3HD1 LEU 98 -9.497 -7.036 -2.417 798 1HD2 LEU 98 1HD2 LEU 98 -5.949 -6.628 -1.965 799 2HD2 LEU 98 2HD2 LEU 98 -5.473 -6.685 -3.662 800 3HD2 LEU 98 3HD2 LEU 98 -5.906 -8.172 -2.817 801 H SER 99 H SER 99 -8.068 -8.316 -7.381 802 HA SER 99 HA SER 99 -9.408 -10.710 -7.737 803 1HB SER 99 2HB SER 99 -8.499 -8.521 -9.507 804 2HB SER 99 1HB SER 99 -8.862 -10.050 -10.306 805 HG SER 99 HG SER 99 -10.930 -9.916 -9.662 806 H GLN 100 H GLN 100 -6.206 -9.791 -8.936 807 HA GLN 100 HA GLN 100 -5.596 -12.290 -10.120 808 1HB GLN 100 2HB GLN 100 -4.242 -9.758 -9.570 809 2HB GLN 100 1HB GLN 100 -3.164 -11.146 -9.550 810 1HG GLN 100 2HG GLN 100 -3.722 -11.714 -11.785 811 2HG GLN 100 1HG GLN 100 -5.053 -10.558 -11.811 812 1HE2 GLN 100 1HE2 GLN 100 -4.619 -8.379 -12.061 813 2HE2 GLN 100 2HE2 GLN 100 -3.079 -7.792 -12.578 814 H MET 101 H MET 101 -4.345 -10.772 -7.157 815 HA MET 101 HA MET 101 -2.695 -12.557 -6.096 816 1HB MET 101 2HB MET 101 -3.980 -10.455 -5.059 817 2HB MET 101 1HB MET 101 -4.829 -11.735 -4.203 818 1HG MET 101 2HG MET 101 -2.430 -12.598 -3.683 819 2HG MET 101 1HG MET 101 -1.963 -10.942 -4.062 820 1HE MET 101 1HE MET 101 -4.557 -9.098 -1.758 821 2HE MET 101 2HE MET 101 -3.914 -9.209 -3.398 822 3HE MET 101 3HE MET 101 -2.864 -8.712 -2.072 823 H LYS 102 H LYS 102 -6.193 -12.872 -5.403 824 HA LYS 102 HA LYS 102 -6.328 -15.611 -5.961 825 1HB LYS 102 2HB LYS 102 -5.133 -14.982 -3.421 826 2HB LYS 102 1HB LYS 102 -6.651 -15.828 -3.165 827 1HG LYS 102 2HG LYS 102 -4.640 -16.874 -5.113 828 2HG LYS 102 1HG LYS 102 -4.475 -17.187 -3.384 829 1HD LYS 102 2HD LYS 102 -6.636 -18.257 -3.325 830 2HD LYS 102 1HD LYS 102 -6.934 -17.826 -5.011 831 1HE LYS 102 2HE LYS 102 -4.791 -19.685 -3.988 832 2HE LYS 102 1HE LYS 102 -6.266 -20.156 -4.831 833 1HZ LYS 102 1HZ LYS 102 -5.027 -18.304 -6.458 834 2HZ LYS 102 2HZ LYS 102 -5.120 -19.975 -6.705 835 3HZ LYS 102 3HZ LYS 102 -3.783 -19.312 -5.909 836 H ILE 103 H ILE 103 -7.955 -13.394 -6.449 837 HA ILE 103 HA ILE 103 -10.258 -13.827 -4.668 838 HB ILE 103 HB ILE 103 -9.301 -11.523 -6.218 839 1HG1 ILE 103 2HG1 ILE 103 -10.384 -10.296 -4.391 840 2HG1 ILE 103 1HG1 ILE 103 -11.109 -11.794 -3.812 841 1HG2 ILE 103 1HG2 ILE 103 -11.663 -10.588 -6.369 842 2HG2 ILE 103 2HG2 ILE 103 -12.212 -12.256 -6.216 843 3HG2 ILE 103 3HG2 ILE 103 -11.199 -11.783 -7.580 844 1HD1 ILE 103 1HD1 ILE 103 -8.260 -12.075 -4.060 845 2HD1 ILE 103 2HD1 ILE 103 -9.295 -12.289 -2.649 846 3HD1 ILE 103 3HD1 ILE 103 -8.674 -10.689 -3.053 847 H MET 104 H MET 104 -9.636 -13.358 -8.162 848 HA MET 104 HA MET 104 -12.130 -14.561 -8.884 849 1HB MET 104 2HB MET 104 -11.456 -14.246 -11.156 850 2HB MET 104 1HB MET 104 -10.945 -12.827 -10.255 851 1HG MET 104 2HG MET 104 -8.667 -13.715 -10.160 852 2HG MET 104 1HG MET 104 -9.186 -15.128 -11.077 853 1HE MET 104 1HE MET 104 -6.759 -13.810 -12.284 854 2HE MET 104 2HE MET 104 -7.093 -12.313 -11.412 855 3HE MET 104 3HE MET 104 -6.962 -12.300 -13.171 856 H MET 105 H MET 105 -12.580 -16.649 -9.060 857 HA MET 105 HA MET 105 -10.678 -18.651 -8.477 858 1HB MET 105 2HB MET 105 -13.381 -18.549 -8.434 859 2HB MET 105 1HB MET 105 -13.132 -19.463 -9.915 860 1HG MET 105 2HG MET 105 -13.426 -20.945 -8.026 861 2HG MET 105 1HG MET 105 -11.802 -21.098 -8.693 862 1HE MET 105 1HE MET 105 -13.244 -18.245 -6.375 863 2HE MET 105 2HE MET 105 -12.809 -18.865 -4.781 864 3HE MET 105 3HE MET 105 -13.997 -19.719 -5.764 865 H ALA 106 H ALA 106 -9.037 -18.071 -10.076 866 HA ALA 106 HA ALA 106 -9.520 -18.469 -12.860 867 1HB ALA 106 1HB ALA 106 -6.868 -18.632 -12.752 868 2HB ALA 106 2HB ALA 106 -7.152 -17.924 -11.161 869 3HB ALA 106 3HB ALA 106 -7.724 -17.096 -12.609 870 H SER 107 H SER 107 -9.445 -20.281 -14.037 871 HA SER 107 HA SER 107 -9.359 -22.818 -12.810 872 1HB SER 107 2HB SER 107 -9.476 -23.720 -15.085 873 2HB SER 107 1HB SER 107 -10.596 -22.371 -14.898 874 HG SER 107 HG SER 107 -9.467 -22.124 -16.818 Start of MODEL 5 1 1H TRP 1 1HT TRP 1 2.599 -23.127 -2.272 2 2H TRP 1 2HT TRP 1 3.473 -23.960 -1.051 3 3H TRP 1 3HT TRP 1 3.828 -24.239 -2.707 4 HA TRP 1 HA TRP 1 5.447 -22.841 -1.592 5 1HB TRP 1 2HB TRP 1 3.791 -21.576 -3.790 6 2HB TRP 1 1HB TRP 1 5.443 -21.124 -3.382 7 HD1 TRP 1 HD TRP 1 3.472 -23.535 -5.451 8 HE1 TRP 1 1HE TRP 1 5.063 -25.161 -6.656 9 HE3 TRP 1 3HE TRP 1 7.804 -22.429 -2.966 10 HZ2 TRP 1 2HZ TRP 1 7.791 -25.879 -6.566 11 HZ3 TRP 1 3HZ TRP 1 9.858 -23.632 -3.586 12 HH2 TRP 1 HH TRP 1 9.850 -25.322 -5.349 13 H VAL 2 H VAL 2 2.652 -20.781 -2.391 14 HA VAL 2 HA VAL 2 3.334 -18.793 -0.502 15 HB VAL 2 HB VAL 2 1.184 -17.784 -0.999 16 1HG1 VAL 2 1HG1 VAL 2 1.409 -17.538 -3.407 17 2HG1 VAL 2 2HG1 VAL 2 2.407 -18.989 -3.479 18 3HG1 VAL 2 3HG1 VAL 2 2.993 -17.555 -2.637 19 1HG2 VAL 2 1HG2 VAL 2 -0.115 -19.249 -2.860 20 2HG2 VAL 2 2HG2 VAL 2 -0.510 -19.271 -1.142 21 3HG2 VAL 2 3HG2 VAL 2 0.513 -20.533 -1.827 22 H GLN 3 H GLN 3 1.773 -18.054 1.245 23 HA GLN 3 HA GLN 3 1.263 -20.319 2.993 24 1HB GLN 3 2HB GLN 3 1.251 -17.337 3.384 25 2HB GLN 3 1HB GLN 3 0.651 -18.431 4.621 26 1HG GLN 3 2HG GLN 3 3.396 -18.733 3.461 27 2HG GLN 3 1HG GLN 3 3.068 -17.627 4.793 28 1HE2 GLN 3 1HE2 GLN 3 4.459 -20.376 4.329 29 2HE2 GLN 3 2HE2 GLN 3 3.949 -21.290 5.704 30 HA PRO 4 HA PRO 4 -3.024 -20.111 1.577 31 1HB PRO 4 2HB PRO 4 -3.394 -22.606 3.038 32 2HB PRO 4 1HB PRO 4 -3.489 -22.311 1.300 33 1HG PRO 4 2HG PRO 4 -1.495 -23.753 2.445 34 2HG PRO 4 1HG PRO 4 -1.273 -22.804 0.964 35 1HD PRO 4 2HD PRO 4 -0.514 -22.126 3.783 36 2HD PRO 4 1HD PRO 4 0.394 -21.871 2.278 37 H ILE 5 H ILE 5 -4.410 -18.851 2.605 38 HA ILE 5 HA ILE 5 -4.696 -19.138 5.519 39 HB ILE 5 HB ILE 5 -3.911 -16.926 4.662 40 1HG1 ILE 5 2HG1 ILE 5 -5.342 -17.399 6.796 41 2HG1 ILE 5 1HG1 ILE 5 -5.058 -15.739 6.288 42 1HG2 ILE 5 1HG2 ILE 5 -6.704 -16.602 3.584 43 2HG2 ILE 5 2HG2 ILE 5 -5.293 -16.966 2.591 44 3HG2 ILE 5 3HG2 ILE 5 -5.370 -15.452 3.490 45 1HD1 ILE 5 1HD1 ILE 5 -7.223 -15.365 5.940 46 2HD1 ILE 5 2HD1 ILE 5 -7.480 -16.821 6.901 47 3HD1 ILE 5 3HD1 ILE 5 -7.464 -16.917 5.140 48 H THR 6 H THR 6 -6.442 -20.212 6.125 49 HA THR 6 HA THR 6 -8.609 -20.760 4.364 50 HB THR 6 HB THR 6 -9.642 -21.750 6.480 51 HG1 THR 6 1HG THR 6 -8.266 -21.922 8.243 52 1HG2 THR 6 1HG2 THR 6 -7.880 -22.846 4.792 53 2HG2 THR 6 2HG2 THR 6 -8.549 -23.692 6.188 54 3HG2 THR 6 3HG2 THR 6 -6.957 -22.940 6.290 55 H ALA 7 H ALA 7 -10.833 -20.242 4.677 56 HA ALA 7 HA ALA 7 -12.584 -18.826 4.987 57 1HB ALA 7 1HB ALA 7 -11.041 -18.584 7.489 58 2HB ALA 7 2HB ALA 7 -12.743 -18.970 7.233 59 3HB ALA 7 3HB ALA 7 -12.199 -17.294 7.164 60 H GLN 8 H GLN 8 -13.113 -17.004 3.958 61 HA GLN 8 HA GLN 8 -11.109 -15.299 2.909 62 1HB GLN 8 2HB GLN 8 -14.120 -15.084 2.972 63 2HB GLN 8 1HB GLN 8 -13.094 -13.917 2.151 64 1HG GLN 8 2HG GLN 8 -12.844 -16.820 1.513 65 2HG GLN 8 1HG GLN 8 -14.162 -15.873 0.825 66 1HE2 GLN 8 1HE2 GLN 8 -10.924 -16.756 0.554 67 2HE2 GLN 8 2HE2 GLN 8 -10.470 -15.662 -0.704 68 H LYS 9 H LYS 9 -9.970 -14.395 4.622 69 HA LYS 9 HA LYS 9 -11.413 -12.275 6.060 70 1HB LYS 9 2HB LYS 9 -10.159 -14.566 7.200 71 2HB LYS 9 1HB LYS 9 -9.206 -13.155 7.644 72 1HG LYS 9 2HG LYS 9 -10.746 -13.381 9.371 73 2HG LYS 9 1HG LYS 9 -11.420 -12.104 8.357 74 1HD LYS 9 2HD LYS 9 -13.309 -13.316 8.459 75 2HD LYS 9 1HD LYS 9 -12.529 -14.326 7.241 76 1HE LYS 9 2HE LYS 9 -11.611 -15.731 9.070 77 2HE LYS 9 1HE LYS 9 -12.532 -14.765 10.224 78 1HZ LYS 9 1HZ LYS 9 -13.649 -16.847 9.587 79 2HZ LYS 9 2HZ LYS 9 -13.732 -16.306 7.988 80 3HZ LYS 9 3HZ LYS 9 -14.566 -15.478 9.203 81 HA PRO 10 HA PRO 10 -8.126 -9.621 4.801 82 1HB PRO 10 2HB PRO 10 -8.067 -8.144 7.267 83 2HB PRO 10 1HB PRO 10 -8.810 -7.692 5.738 84 1HG PRO 10 2HG PRO 10 -10.220 -8.279 8.015 85 2HG PRO 10 1HG PRO 10 -10.867 -8.441 6.374 86 1HD PRO 10 2HD PRO 10 -9.794 -10.544 8.209 87 2HD PRO 10 1HD PRO 10 -11.170 -10.616 7.086 88 H SER 11 H SER 11 -6.925 -11.910 5.515 89 HA SER 11 HA SER 11 -4.459 -10.975 6.696 90 1HB SER 11 2HB SER 11 -4.359 -12.879 8.321 91 2HB SER 11 1HB SER 11 -5.589 -11.673 8.699 92 HG SER 11 HG SER 11 -5.870 -14.316 8.032 93 H LEU 12 H LEU 12 -2.758 -11.872 5.735 94 HA LEU 12 HA LEU 12 -2.675 -14.543 4.773 95 1HB LEU 12 2HB LEU 12 -2.348 -13.909 2.350 96 2HB LEU 12 1HB LEU 12 -3.991 -13.867 2.950 97 HG LEU 12 HG LEU 12 -3.024 -11.958 1.404 98 1HD1 LEU 12 1HD1 LEU 12 -5.168 -11.503 1.823 99 2HD1 LEU 12 2HD1 LEU 12 -4.538 -10.400 3.044 100 3HD1 LEU 12 3HD1 LEU 12 -5.055 -12.023 3.500 101 1HD2 LEU 12 1HD2 LEU 12 -2.305 -10.018 2.663 102 2HD2 LEU 12 2HD2 LEU 12 -1.169 -11.349 2.859 103 3HD2 LEU 12 3HD2 LEU 12 -2.305 -10.956 4.148 104 H THR 13 H THR 13 -0.576 -15.112 3.896 105 HA THR 13 HA THR 13 1.454 -13.131 4.705 106 HB THR 13 HB THR 13 2.257 -15.930 4.179 107 HG1 THR 13 1HG THR 13 0.825 -15.229 6.518 108 1HG2 THR 13 1HG2 THR 13 3.109 -15.210 6.681 109 2HG2 THR 13 2HG2 THR 13 3.144 -13.687 5.789 110 3HG2 THR 13 3HG2 THR 13 4.040 -15.081 5.188 111 H LEU 14 H LEU 14 2.308 -12.030 3.143 112 HA LEU 14 HA LEU 14 3.325 -13.364 0.759 113 1HB LEU 14 2HB LEU 14 1.834 -10.754 0.560 114 2HB LEU 14 1HB LEU 14 2.491 -11.700 -0.752 115 HG LEU 14 HG LEU 14 0.055 -12.285 0.913 116 1HD1 LEU 14 1HD1 LEU 14 0.135 -10.702 -1.165 117 2HD1 LEU 14 2HD1 LEU 14 -1.183 -11.860 -0.973 118 3HD1 LEU 14 3HD1 LEU 14 0.157 -12.221 -2.063 119 1HD2 LEU 14 1HD2 LEU 14 0.356 -14.146 -1.215 120 2HD2 LEU 14 2HD2 LEU 14 0.221 -14.452 0.516 121 3HD2 LEU 14 3HD2 LEU 14 1.804 -14.196 -0.213 122 H TRP 15 H TRP 15 4.971 -11.998 -0.333 123 HA TRP 15 HA TRP 15 6.270 -10.298 1.662 124 1HB TRP 15 2HB TRP 15 8.324 -10.910 0.847 125 2HB TRP 15 1HB TRP 15 7.401 -12.368 0.569 126 HD1 TRP 15 HD TRP 15 6.254 -10.536 -2.260 127 HE1 TRP 15 1HE TRP 15 7.768 -10.862 -4.302 128 HE3 TRP 15 3HE TRP 15 10.404 -12.440 0.044 129 HZ2 TRP 15 2HZ TRP 15 10.339 -11.800 -4.895 130 HZ3 TRP 15 3HZ TRP 15 12.342 -13.030 -1.346 131 HH2 TRP 15 HH TRP 15 12.311 -12.720 -3.762 132 H LEU 16 H LEU 16 7.159 -8.300 1.110 133 HA LEU 16 HA LEU 16 6.275 -7.119 -1.422 134 1HB LEU 16 2HB LEU 16 5.533 -5.078 -0.118 135 2HB LEU 16 1HB LEU 16 4.491 -6.483 -0.037 136 HG LEU 16 HG LEU 16 5.949 -6.940 2.161 137 1HD1 LEU 16 1HD1 LEU 16 5.713 -3.984 2.364 138 2HD1 LEU 16 2HD1 LEU 16 7.115 -4.661 1.535 139 3HD1 LEU 16 3HD1 LEU 16 6.786 -5.095 3.213 140 1HD2 LEU 16 1HD2 LEU 16 3.669 -4.971 2.133 141 2HD2 LEU 16 2HD2 LEU 16 4.123 -6.076 3.430 142 3HD2 LEU 16 3HD2 LEU 16 3.468 -6.711 1.921 143 H ASP 17 H ASP 17 7.399 -5.173 -2.012 144 HA ASP 17 HA ASP 17 9.255 -3.878 -2.247 145 1HB ASP 17 2HB ASP 17 8.595 -3.567 0.343 146 2HB ASP 17 1HB ASP 17 10.184 -4.301 0.543 147 H ASP 18 H ASP 18 10.299 -6.263 0.184 148 HA ASP 18 HA ASP 18 11.730 -7.929 -1.532 149 1HB ASP 18 2HB ASP 18 13.060 -5.454 -1.052 150 2HB ASP 18 1HB ASP 18 13.947 -6.709 -0.196 151 H LYS 19 H LYS 19 10.048 -8.234 0.650 152 HA LYS 19 HA LYS 19 11.520 -10.062 2.244 153 1HB LYS 19 2HB LYS 19 11.225 -8.954 4.430 154 2HB LYS 19 1HB LYS 19 12.311 -8.063 3.370 155 1HG LYS 19 2HG LYS 19 10.126 -6.757 2.746 156 2HG LYS 19 1HG LYS 19 9.575 -7.365 4.308 157 1HD LYS 19 2HD LYS 19 10.580 -5.158 4.546 158 2HD LYS 19 1HD LYS 19 11.542 -6.377 5.385 159 1HE LYS 19 2HE LYS 19 12.366 -6.001 2.619 160 2HE LYS 19 1HE LYS 19 12.477 -4.518 3.567 161 1HZ LYS 19 1HZ LYS 19 13.600 -6.153 5.269 162 2HZ LYS 19 2HZ LYS 19 14.490 -5.438 4.023 163 3HZ LYS 19 3HZ LYS 19 13.946 -7.031 3.866 164 H MET 20 H MET 20 10.175 -11.384 3.513 165 HA MET 20 HA MET 20 7.464 -11.496 2.632 166 1HB MET 20 2HB MET 20 9.091 -13.111 4.565 167 2HB MET 20 1HB MET 20 7.359 -13.364 4.401 168 1HG MET 20 2HG MET 20 8.638 -13.310 1.821 169 2HG MET 20 1HG MET 20 9.385 -14.508 2.877 170 1HE MET 20 1HE MET 20 6.495 -15.630 0.155 171 2HE MET 20 2HE MET 20 7.674 -14.318 0.185 172 3HE MET 20 3HE MET 20 5.984 -13.996 0.578 173 H PHE 21 H PHE 21 5.570 -11.342 3.850 174 HA PHE 21 HA PHE 21 5.570 -10.435 6.558 175 1HB PHE 21 2HB PHE 21 5.674 -8.464 4.443 176 2HB PHE 21 1HB PHE 21 4.176 -8.316 5.355 177 HD1 PHE 21 1HD PHE 21 7.348 -7.078 5.133 178 HD2 PHE 21 2HD PHE 21 4.660 -8.653 8.031 179 HE1 PHE 21 1HE PHE 21 8.551 -5.864 6.903 180 HE2 PHE 21 2HE PHE 21 5.858 -7.441 9.807 181 HZ PHE 21 HZ PHE 21 7.806 -6.044 9.244 182 H THR 22 H THR 22 3.183 -9.455 6.971 183 HA THR 22 HA THR 22 1.274 -11.156 5.528 184 HB THR 22 HB THR 22 0.765 -10.752 8.414 185 HG1 THR 22 1HG THR 22 2.251 -12.212 9.080 186 1HG2 THR 22 1HG2 THR 22 -0.744 -12.115 7.106 187 2HG2 THR 22 2HG2 THR 22 0.087 -13.097 8.313 188 3HG2 THR 22 3HG2 THR 22 0.590 -13.163 6.623 189 H GLY 23 H GLY 23 -0.162 -9.875 4.594 190 1HA GLY 23 2HA GLY 23 -0.942 -7.394 6.001 191 2HA GLY 23 1HA GLY 23 -0.908 -7.563 4.251 192 H LEU 24 H LEU 24 -3.098 -6.878 4.152 193 HA LEU 24 HA LEU 24 -4.949 -9.069 4.726 194 1HB LEU 24 2HB LEU 24 -6.596 -7.682 5.690 195 2HB LEU 24 1HB LEU 24 -5.099 -7.332 6.525 196 HG LEU 24 HG LEU 24 -6.155 -5.258 6.237 197 1HD1 LEU 24 1HD1 LEU 24 -4.630 -3.991 4.983 198 2HD1 LEU 24 2HD1 LEU 24 -4.287 -5.330 3.892 199 3HD1 LEU 24 3HD1 LEU 24 -3.729 -5.392 5.562 200 1HD2 LEU 24 1HD2 LEU 24 -7.388 -6.445 4.042 201 2HD2 LEU 24 2HD2 LEU 24 -6.461 -5.099 3.376 202 3HD2 LEU 24 3HD2 LEU 24 -7.640 -4.810 4.654 203 H ILE 25 H ILE 25 -6.280 -9.538 3.098 204 HA ILE 25 HA ILE 25 -6.353 -7.648 0.835 205 HB ILE 25 HB ILE 25 -6.634 -10.662 0.794 206 1HG1 ILE 25 2HG1 ILE 25 -4.507 -8.941 -0.486 207 2HG1 ILE 25 1HG1 ILE 25 -4.327 -9.633 1.121 208 1HG2 ILE 25 1HG2 ILE 25 -7.979 -9.185 -0.903 209 2HG2 ILE 25 2HG2 ILE 25 -7.106 -10.612 -1.454 210 3HG2 ILE 25 3HG2 ILE 25 -6.406 -9.010 -1.679 211 1HD1 ILE 25 1HD1 ILE 25 -3.191 -11.069 -0.350 212 2HD1 ILE 25 2HD1 ILE 25 -4.528 -11.068 -1.503 213 3HD1 ILE 25 3HD1 ILE 25 -4.704 -11.887 0.046 214 H ASN 26 H ASN 26 -8.203 -6.571 0.802 215 HA ASN 26 HA ASN 26 -10.628 -7.800 1.835 216 1HB ASN 26 2HB ASN 26 -11.621 -5.514 1.335 217 2HB ASN 26 1HB ASN 26 -10.356 -5.556 2.558 218 1HD2 ASN 26 1HD2 ASN 26 -11.197 -3.289 1.088 219 2HD2 ASN 26 2HD2 ASN 26 -9.851 -2.739 0.156 220 H THR 27 H THR 27 -11.741 -9.045 0.527 221 HA THR 27 HA THR 27 -11.462 -9.249 -2.214 222 HB THR 27 HB THR 27 -12.475 -10.963 -0.777 223 HG1 THR 27 1HG THR 27 -12.942 -11.292 -2.872 224 1HG2 THR 27 1HG2 THR 27 -13.979 -9.215 0.421 225 2HG2 THR 27 2HG2 THR 27 -14.566 -10.857 0.158 226 3HG2 THR 27 3HG2 THR 27 -15.096 -9.551 -0.901 227 H GLY 28 H GLY 28 -12.908 -6.708 -0.551 228 1HA GLY 28 2HA GLY 28 -14.442 -5.936 -2.951 229 2HA GLY 28 1HA GLY 28 -14.908 -5.480 -1.320 230 H ALA 29 H ALA 29 -11.576 -5.472 -2.294 231 HA ALA 29 HA ALA 29 -11.189 -2.768 -1.553 232 1HB ALA 29 1HB ALA 29 -9.582 -5.007 -2.255 233 2HB ALA 29 2HB ALA 29 -9.094 -3.503 -1.473 234 3HB ALA 29 3HB ALA 29 -9.069 -3.632 -3.231 235 H ASP 30 H ASP 30 -11.802 -1.048 -2.692 236 HA ASP 30 HA ASP 30 -12.239 -1.288 -5.561 237 1HB ASP 30 2HB ASP 30 -13.432 0.830 -5.377 238 2HB ASP 30 1HB ASP 30 -14.019 -0.307 -4.167 239 H VAL 31 H VAL 31 -10.473 0.787 -3.284 240 HA VAL 31 HA VAL 31 -8.616 1.428 -5.465 241 HB VAL 31 HB VAL 31 -10.113 3.349 -5.191 242 1HG1 VAL 31 1HG1 VAL 31 -10.838 4.048 -3.217 243 2HG1 VAL 31 2HG1 VAL 31 -9.189 4.331 -2.663 244 3HG1 VAL 31 3HG1 VAL 31 -9.927 2.742 -2.457 245 1HG2 VAL 31 1HG2 VAL 31 -8.069 4.901 -4.242 246 2HG2 VAL 31 2HG2 VAL 31 -8.228 4.327 -5.903 247 3HG2 VAL 31 3HG2 VAL 31 -7.224 3.441 -4.756 248 H THR 32 H THR 32 -6.681 0.745 -4.923 249 HA THR 32 HA THR 32 -5.927 -0.104 -2.366 250 HB THR 32 HB THR 32 -4.878 -1.011 -4.344 251 HG1 THR 32 1HG THR 32 -3.306 0.232 -2.425 252 1HG2 THR 32 1HG2 THR 32 -4.368 1.780 -5.003 253 2HG2 THR 32 2HG2 THR 32 -4.518 0.367 -6.045 254 3HG2 THR 32 3HG2 THR 32 -2.987 0.712 -5.240 255 H ILE 33 H ILE 33 -5.593 1.103 -0.657 256 HA ILE 33 HA ILE 33 -4.127 3.641 -0.967 257 HB ILE 33 HB ILE 33 -6.009 3.298 1.328 258 1HG1 ILE 33 2HG1 ILE 33 -7.425 2.753 -0.564 259 2HG1 ILE 33 1HG1 ILE 33 -7.810 4.376 -0.004 260 1HG2 ILE 33 1HG2 ILE 33 -4.452 5.179 1.255 261 2HG2 ILE 33 2HG2 ILE 33 -6.130 5.716 1.189 262 3HG2 ILE 33 3HG2 ILE 33 -5.153 5.696 -0.278 263 1HD1 ILE 33 1HD1 ILE 33 -7.220 5.306 -1.941 264 2HD1 ILE 33 2HD1 ILE 33 -7.344 3.672 -2.588 265 3HD1 ILE 33 3HD1 ILE 33 -5.777 4.306 -2.093 266 H ILE 34 H ILE 34 -2.318 3.785 0.173 267 HA ILE 34 HA ILE 34 -1.975 2.053 2.520 268 HB ILE 34 HB ILE 34 -0.549 1.736 0.156 269 1HG1 ILE 34 2HG1 ILE 34 0.861 0.219 1.504 270 2HG1 ILE 34 1HG1 ILE 34 0.229 0.955 2.973 271 1HG2 ILE 34 1HG2 ILE 34 1.791 2.308 0.791 272 2HG2 ILE 34 2HG2 ILE 34 1.141 3.259 2.130 273 3HG2 ILE 34 3HG2 ILE 34 0.772 3.709 0.463 274 1HD1 ILE 34 1HD1 ILE 34 -1.336 -0.608 2.956 275 2HD1 ILE 34 2HD1 ILE 34 -0.886 -1.131 1.332 276 3HD1 ILE 34 3HD1 ILE 34 -2.026 0.198 1.546 277 H LYS 35 H LYS 35 -1.776 3.254 4.240 278 HA LYS 35 HA LYS 35 -1.684 5.972 4.381 279 1HB LYS 35 2HB LYS 35 -0.716 5.585 6.735 280 2HB LYS 35 1HB LYS 35 -2.259 4.843 6.355 281 1HG LYS 35 2HG LYS 35 0.024 3.138 5.751 282 2HG LYS 35 1HG LYS 35 -0.120 3.569 7.452 283 1HD LYS 35 2HD LYS 35 -2.569 2.889 7.245 284 2HD LYS 35 1HD LYS 35 -2.114 2.157 5.712 285 1HE LYS 35 2HE LYS 35 -2.123 0.712 7.872 286 2HE LYS 35 1HE LYS 35 -0.809 0.539 6.713 287 1HZ LYS 35 1HZ LYS 35 -0.581 2.392 9.000 288 2HZ LYS 35 2HZ LYS 35 0.652 1.687 8.082 289 3HZ LYS 35 3HZ LYS 35 -0.229 0.747 9.178 290 H LEU 36 H LEU 36 -0.039 7.401 5.309 291 HA LEU 36 HA LEU 36 2.320 7.315 3.715 292 1HB LEU 36 2HB LEU 36 0.889 9.259 5.121 293 2HB LEU 36 1HB LEU 36 2.458 9.197 5.905 294 HG LEU 36 HG LEU 36 2.823 9.191 3.063 295 1HD1 LEU 36 1HD1 LEU 36 0.507 10.523 3.659 296 2HD1 LEU 36 2HD1 LEU 36 1.515 10.797 2.243 297 3HD1 LEU 36 3HD1 LEU 36 1.708 11.810 3.674 298 1HD2 LEU 36 1HD2 LEU 36 3.501 11.618 4.550 299 2HD2 LEU 36 2HD2 LEU 36 4.529 10.534 3.613 300 3HD2 LEU 36 3HD2 LEU 36 4.109 10.132 5.277 301 H GLU 37 H GLU 37 1.524 6.425 6.987 302 HA GLU 37 HA GLU 37 4.053 6.408 8.150 303 1HB GLU 37 2HB GLU 37 1.720 4.546 8.625 304 2HB GLU 37 1HB GLU 37 3.131 4.662 9.668 305 1HG GLU 37 2HG GLU 37 2.223 6.348 10.766 306 2HG GLU 37 1HG GLU 37 2.070 7.274 9.275 307 H ASP 38 H ASP 38 2.717 4.355 5.722 308 HA ASP 38 HA ASP 38 4.958 2.472 6.025 309 1HB ASP 38 2HB ASP 38 2.192 2.036 5.602 310 2HB ASP 38 1HB ASP 38 3.015 1.560 4.120 311 H TRP 39 H TRP 39 4.931 5.162 4.693 312 HA TRP 39 HA TRP 39 5.550 4.349 1.938 313 1HB TRP 39 2HB TRP 39 4.325 6.157 1.411 314 2HB TRP 39 1HB TRP 39 4.268 6.683 3.087 315 HD1 TRP 39 HD TRP 39 6.038 7.344 -0.203 316 HE1 TRP 39 1HE TRP 39 7.523 9.431 0.042 317 HE3 TRP 39 3HE TRP 39 5.686 8.020 4.856 318 HZ2 TRP 39 2HZ TRP 39 8.415 11.147 2.106 319 HZ3 TRP 39 3HZ TRP 39 6.879 9.908 5.881 320 HH2 TRP 39 HH TRP 39 8.216 11.438 4.533 321 HA PRO 40 HA PRO 40 9.883 4.871 2.579 322 1HB PRO 40 2HB PRO 40 10.633 5.955 0.176 323 2HB PRO 40 1HB PRO 40 10.283 4.241 0.417 324 1HG PRO 40 2HG PRO 40 8.532 6.395 -0.699 325 2HG PRO 40 1HG PRO 40 8.749 4.725 -1.258 326 1HD PRO 40 2HD PRO 40 6.612 5.468 0.197 327 2HD PRO 40 1HD PRO 40 7.351 3.864 0.374 328 HA PRO 41 HA PRO 41 9.685 9.185 4.029 329 1HB PRO 41 2HB PRO 41 12.224 8.349 5.306 330 2HB PRO 41 1HB PRO 41 10.793 9.095 6.027 331 1HG PRO 41 2HG PRO 41 11.346 6.516 6.432 332 2HG PRO 41 1HG PRO 41 9.675 7.074 6.222 333 1HD PRO 41 2HD PRO 41 11.476 5.699 4.266 334 2HD PRO 41 1HD PRO 41 9.739 5.467 4.556 335 H ASN 42 H ASN 42 12.084 7.531 2.204 336 HA ASN 42 HA ASN 42 14.146 9.297 1.926 337 1HB ASN 42 2HB ASN 42 13.607 6.992 0.760 338 2HB ASN 42 1HB ASN 42 13.057 8.030 -0.551 339 1HD2 ASN 42 1HD2 ASN 42 15.617 6.356 0.582 340 2HD2 ASN 42 2HD2 ASN 42 16.902 7.223 -0.178 341 H TRP 43 H TRP 43 10.968 9.497 0.374 342 HA TRP 43 HA TRP 43 11.572 12.281 -0.325 343 1HB TRP 43 2HB TRP 43 10.762 12.042 -2.573 344 2HB TRP 43 1HB TRP 43 11.979 10.795 -2.315 345 HD1 TRP 43 HD TRP 43 8.129 11.166 -2.420 346 HE1 TRP 43 1HE TRP 43 7.125 8.911 -3.148 347 HE3 TRP 43 3HE TRP 43 12.413 8.375 -2.596 348 HZ2 TRP 43 2HZ TRP 43 8.018 6.312 -3.730 349 HZ3 TRP 43 3HZ TRP 43 12.244 6.009 -3.253 350 HH2 TRP 43 HH TRP 43 10.088 5.005 -3.807 351 HA PRO 44 HA PRO 44 7.483 12.863 1.385 352 1HB PRO 44 2HB PRO 44 7.001 15.366 0.422 353 2HB PRO 44 1HB PRO 44 8.067 15.057 1.798 354 1HG PRO 44 2HG PRO 44 8.771 15.551 -1.068 355 2HG PRO 44 1HG PRO 44 9.542 16.181 0.399 356 1HD PRO 44 2HD PRO 44 10.573 14.114 -1.008 357 2HD PRO 44 1HD PRO 44 10.739 14.241 0.756 358 H ILE 45 H ILE 45 5.306 12.769 0.638 359 HA ILE 45 HA ILE 45 5.018 12.733 -2.292 360 HB ILE 45 HB ILE 45 3.275 10.886 -1.635 361 1HG1 ILE 45 2HG1 ILE 45 4.378 9.293 -0.052 362 2HG1 ILE 45 1HG1 ILE 45 5.580 10.524 0.290 363 1HG2 ILE 45 1HG2 ILE 45 6.162 10.591 -2.350 364 2HG2 ILE 45 2HG2 ILE 45 4.744 10.492 -3.397 365 3HG2 ILE 45 3HG2 ILE 45 5.081 9.200 -2.239 366 1HD1 ILE 45 1HD1 ILE 45 3.176 10.078 1.597 367 2HD1 ILE 45 2HD1 ILE 45 2.949 11.567 0.700 368 3HD1 ILE 45 3HD1 ILE 45 4.288 11.421 1.835 369 H THR 46 H THR 46 3.333 13.599 -3.097 370 HA THR 46 HA THR 46 0.851 13.937 -1.695 371 HB THR 46 HB THR 46 2.583 16.036 -1.725 372 HG1 THR 46 1HG THR 46 -0.234 15.960 -1.754 373 1HG2 THR 46 1HG2 THR 46 2.128 17.584 -3.389 374 2HG2 THR 46 2HG2 THR 46 0.694 16.712 -3.935 375 3HG2 THR 46 3HG2 THR 46 2.302 16.061 -4.265 376 H ASP 47 H ASP 47 -0.672 15.073 -3.455 377 HA ASP 47 HA ASP 47 0.102 14.435 -6.155 378 1HB ASP 47 2HB ASP 47 -1.518 12.554 -4.735 379 2HB ASP 47 1HB ASP 47 -2.477 13.287 -6.016 380 H THR 48 H THR 48 -2.328 14.797 -7.465 381 HA THR 48 HA THR 48 -2.818 17.597 -6.764 382 HB THR 48 HB THR 48 -3.981 17.623 -9.029 383 HG1 THR 48 1HG THR 48 -3.856 15.894 -10.281 384 1HG2 THR 48 1HG2 THR 48 -2.011 17.869 -10.273 385 2HG2 THR 48 2HG2 THR 48 -1.121 16.752 -9.239 386 3HG2 THR 48 3HG2 THR 48 -1.590 18.338 -8.625 387 H LEU 49 H LEU 49 -4.488 18.027 -5.459 388 HA LEU 49 HA LEU 49 -6.968 16.480 -5.853 389 1HB LEU 49 2HB LEU 49 -5.640 16.131 -3.671 390 2HB LEU 49 1HB LEU 49 -6.191 17.729 -3.245 391 HG LEU 49 HG LEU 49 -8.448 17.052 -3.121 392 1HD1 LEU 49 1HD1 LEU 49 -9.052 15.753 -4.872 393 2HD1 LEU 49 2HD1 LEU 49 -8.815 14.463 -3.693 394 3HD1 LEU 49 3HD1 LEU 49 -7.544 14.839 -4.857 395 1HD2 LEU 49 1HD2 LEU 49 -6.836 16.229 -1.322 396 2HD2 LEU 49 2HD2 LEU 49 -7.015 14.639 -2.064 397 3HD2 LEU 49 3HD2 LEU 49 -8.425 15.466 -1.404 398 H THR 50 H THR 50 -8.909 17.736 -4.852 399 HA THR 50 HA THR 50 -8.732 20.522 -5.798 400 HB THR 50 HB THR 50 -11.377 20.051 -5.899 401 HG1 THR 50 1HG THR 50 -11.672 17.929 -6.680 402 1HG2 THR 50 1HG2 THR 50 -10.319 20.846 -7.831 403 2HG2 THR 50 2HG2 THR 50 -11.042 19.305 -8.292 404 3HG2 THR 50 3HG2 THR 50 -9.310 19.407 -7.972 405 H ASN 51 H ASN 51 -9.050 22.096 -4.372 406 HA ASN 51 HA ASN 51 -10.663 21.553 -1.970 407 1HB ASN 51 2HB ASN 51 -8.059 21.643 -1.672 408 2HB ASN 51 1HB ASN 51 -8.291 23.374 -1.850 409 1HD2 ASN 51 1HD2 ASN 51 -10.167 20.844 -0.219 410 2HD2 ASN 51 2HD2 ASN 51 -10.172 21.609 1.330 411 H LEU 52 H LEU 52 -12.353 22.632 -3.212 412 HA LEU 52 HA LEU 52 -11.847 25.465 -3.691 413 1HB LEU 52 2HB LEU 52 -13.818 23.500 -4.711 414 2HB LEU 52 1HB LEU 52 -14.292 25.182 -4.646 415 HG LEU 52 HG LEU 52 -13.012 25.754 -6.410 416 1HD1 LEU 52 1HD1 LEU 52 -10.763 24.634 -6.858 417 2HD1 LEU 52 2HD1 LEU 52 -10.950 23.897 -5.266 418 3HD1 LEU 52 3HD1 LEU 52 -10.888 25.653 -5.423 419 1HD2 LEU 52 1HD2 LEU 52 -12.989 24.147 -8.068 420 2HD2 LEU 52 2HD2 LEU 52 -14.228 23.553 -6.961 421 3HD2 LEU 52 3HD2 LEU 52 -12.612 22.845 -6.939 422 H ARG 53 H ARG 53 -12.300 26.873 -2.283 423 HA ARG 53 HA ARG 53 -14.091 26.326 -0.085 424 1HB ARG 53 2HB ARG 53 -12.242 28.614 -0.700 425 2HB ARG 53 1HB ARG 53 -13.307 28.598 0.693 426 1HG ARG 53 2HG ARG 53 -11.262 26.465 0.146 427 2HG ARG 53 1HG ARG 53 -10.944 27.896 1.127 428 1HD ARG 53 2HD ARG 53 -12.412 27.229 2.799 429 2HD ARG 53 1HD ARG 53 -13.290 26.138 1.727 430 HE ARG 53 HE ARG 53 -11.782 24.493 2.230 431 1HH1 ARG 53 1HH1 ARG 53 -10.453 27.569 3.206 432 2HH1 ARG 53 2HH1 ARG 53 -9.090 26.866 4.012 433 1HH2 ARG 53 1HH2 ARG 53 -9.991 23.567 3.292 434 2HH2 ARG 53 2HH2 ARG 53 -8.829 24.596 4.059 435 H GLY 54 H GLY 54 -14.861 27.039 -3.043 436 1HA GLY 54 2HA GLY 54 -16.777 27.986 -3.952 437 2HA GLY 54 1HA GLY 54 -17.243 28.486 -2.333 438 H ILE 55 H ILE 55 -15.575 30.122 -1.448 439 HA ILE 55 HA ILE 55 -15.403 32.296 -3.395 440 HB ILE 55 HB ILE 55 -14.877 33.644 -1.208 441 1HG1 ILE 55 2HG1 ILE 55 -16.261 31.177 -0.147 442 2HG1 ILE 55 1HG1 ILE 55 -14.718 31.843 0.369 443 1HG2 ILE 55 1HG2 ILE 55 -17.052 33.385 -2.786 444 2HG2 ILE 55 2HG2 ILE 55 -16.952 34.487 -1.413 445 3HG2 ILE 55 3HG2 ILE 55 -17.725 32.914 -1.225 446 1HD1 ILE 55 1HD1 ILE 55 -17.454 32.561 1.121 447 2HD1 ILE 55 2HD1 ILE 55 -16.355 33.918 0.873 448 3HD1 ILE 55 3HD1 ILE 55 -15.954 32.660 2.042 449 H GLY 56 H GLY 56 -13.661 29.961 -1.724 450 1HA GLY 56 2HA GLY 56 -11.124 31.371 -2.316 451 2HA GLY 56 1HA GLY 56 -11.319 30.312 -0.928 452 H GLN 57 H GLN 57 -12.112 30.052 -4.395 453 HA GLN 57 HA GLN 57 -11.810 27.357 -4.729 454 1HB GLN 57 2HB GLN 57 -12.680 28.627 -6.526 455 2HB GLN 57 1HB GLN 57 -11.255 29.651 -6.600 456 1HG GLN 57 2HG GLN 57 -10.139 28.225 -7.917 457 2HG GLN 57 1HG GLN 57 -10.751 26.803 -7.077 458 1HE2 GLN 57 1HE2 GLN 57 -11.843 29.398 -9.227 459 2HE2 GLN 57 2HE2 GLN 57 -12.902 28.409 -10.169 460 H SER 58 H SER 58 -10.112 26.507 -3.518 461 HA SER 58 HA SER 58 -7.401 27.100 -4.505 462 1HB SER 58 2HB SER 58 -8.178 27.449 -1.973 463 2HB SER 58 1HB SER 58 -7.779 25.734 -1.886 464 HG SER 58 HG SER 58 -5.983 27.081 -1.405 465 H ASN 59 H ASN 59 -5.892 25.119 -3.931 466 HA ASN 59 HA ASN 59 -7.197 22.726 -5.052 467 1HB ASN 59 2HB ASN 59 -4.247 23.395 -5.111 468 2HB ASN 59 1HB ASN 59 -5.060 22.096 -5.978 469 1HD2 ASN 59 1HD2 ASN 59 -5.149 22.517 -8.052 470 2HD2 ASN 59 2HD2 ASN 59 -5.468 24.054 -8.771 471 H ASN 60 H ASN 60 -6.975 20.755 -4.017 472 HA ASN 60 HA ASN 60 -6.015 20.911 -1.276 473 1HB ASN 60 2HB ASN 60 -8.098 19.475 -2.580 474 2HB ASN 60 1HB ASN 60 -7.001 18.301 -1.873 475 1HD2 ASN 60 1HD2 ASN 60 -9.323 18.168 -0.812 476 2HD2 ASN 60 2HD2 ASN 60 -9.426 18.957 0.722 477 HA PRO 61 HA PRO 61 -2.433 18.392 -1.950 478 1HB PRO 61 2HB PRO 61 -1.909 17.682 0.542 479 2HB PRO 61 1HB PRO 61 -1.976 19.399 0.119 480 1HG PRO 61 2HG PRO 61 -4.005 17.714 1.525 481 2HG PRO 61 1HG PRO 61 -3.546 19.400 1.823 482 1HD PRO 61 2HD PRO 61 -5.756 18.512 0.304 483 2HD PRO 61 1HD PRO 61 -5.098 20.162 0.350 484 H LYS 62 H LYS 62 -3.075 16.576 -3.188 485 HA LYS 62 HA LYS 62 -4.641 14.466 -2.252 486 1HB LYS 62 2HB LYS 62 -2.977 15.018 -4.531 487 2HB LYS 62 1HB LYS 62 -2.931 13.333 -4.081 488 1HG LYS 62 2HG LYS 62 -5.543 13.629 -3.986 489 2HG LYS 62 1HG LYS 62 -5.206 15.005 -5.033 490 1HD LYS 62 2HD LYS 62 -4.313 13.637 -6.723 491 2HD LYS 62 1HD LYS 62 -4.132 12.265 -5.627 492 1HE LYS 62 2HE LYS 62 -6.343 11.694 -5.751 493 2HE LYS 62 1HE LYS 62 -6.862 13.349 -6.074 494 1HZ LYS 62 1HZ LYS 62 -5.577 11.476 -7.985 495 2HZ LYS 62 2HZ LYS 62 -5.861 13.110 -8.315 496 3HZ LYS 62 3HZ LYS 62 -7.162 12.065 -8.042 497 H GLN 63 H GLN 63 -3.936 12.269 -2.257 498 HA GLN 63 HA GLN 63 -1.770 11.884 -0.375 499 1HB GLN 63 2HB GLN 63 -3.261 9.518 -1.264 500 2HB GLN 63 1HB GLN 63 -2.900 10.078 0.360 501 1HG GLN 63 2HG GLN 63 -5.152 10.307 0.399 502 2HG GLN 63 1HG GLN 63 -4.737 11.886 -0.257 503 1HE2 GLN 63 1HE2 GLN 63 -7.027 9.818 -0.520 504 2HE2 GLN 63 2HE2 GLN 63 -7.329 9.795 -2.221 505 H SER 64 H SER 64 0.033 11.008 -0.859 506 HA SER 64 HA SER 64 1.472 10.929 -3.012 507 1HB SER 64 2HB SER 64 1.509 8.340 -1.548 508 2HB SER 64 1HB SER 64 2.851 9.356 -2.044 509 HG SER 64 HG SER 64 1.056 9.760 0.109 510 H SER 65 H SER 65 2.257 9.313 -4.473 511 HA SER 65 HA SER 65 0.136 7.546 -5.520 512 1HB SER 65 2HB SER 65 1.320 9.642 -6.851 513 2HB SER 65 1HB SER 65 2.292 8.273 -7.389 514 HG SER 65 HG SER 65 0.655 8.171 -8.763 515 H LYS 66 H LYS 66 3.325 7.752 -4.274 516 HA LYS 66 HA LYS 66 5.017 6.018 -5.181 517 1HB LYS 66 2HB LYS 66 5.297 6.874 -2.961 518 2HB LYS 66 1HB LYS 66 3.935 5.939 -2.366 519 1HG LYS 66 2HG LYS 66 5.949 4.244 -3.570 520 2HG LYS 66 1HG LYS 66 6.612 5.233 -2.265 521 1HD LYS 66 2HD LYS 66 5.298 4.245 -0.668 522 2HD LYS 66 1HD LYS 66 4.011 3.858 -1.811 523 1HE LYS 66 2HE LYS 66 4.819 1.808 -2.102 524 2HE LYS 66 1HE LYS 66 6.404 2.450 -2.529 525 1HZ LYS 66 1HZ LYS 66 5.933 0.952 -0.373 526 2HZ LYS 66 2HZ LYS 66 5.773 2.496 0.298 527 3HZ LYS 66 3HZ LYS 66 7.208 2.058 -0.485 528 H TYR 67 H TYR 67 5.046 4.097 -6.131 529 HA TYR 67 HA TYR 67 2.781 2.404 -6.168 530 1HB TYR 67 2HB TYR 67 5.603 1.977 -7.142 531 2HB TYR 67 1HB TYR 67 4.300 0.818 -7.390 532 HD1 TYR 67 1HD TYR 67 5.232 4.363 -8.066 533 HD2 TYR 67 2HD TYR 67 2.924 0.991 -9.245 534 HE1 TYR 67 1HE TYR 67 4.565 5.544 -10.117 535 HE2 TYR 67 2HE TYR 67 2.250 2.159 -11.297 536 HH TYR 67 HH TYR 67 3.688 4.499 -12.638 537 H LEU 68 H LEU 68 2.265 0.649 -5.080 538 HA LEU 68 HA LEU 68 4.039 -0.211 -2.898 539 1HB LEU 68 2HB LEU 68 1.600 0.578 -2.521 540 2HB LEU 68 1HB LEU 68 1.144 -0.968 -3.210 541 HG LEU 68 HG LEU 68 2.384 -2.126 -1.425 542 1HD1 LEU 68 1HD1 LEU 68 3.056 0.679 -0.648 543 2HD1 LEU 68 2HD1 LEU 68 4.098 -0.739 -0.744 544 3HD1 LEU 68 3HD1 LEU 68 2.947 -0.579 0.582 545 1HD2 LEU 68 1HD2 LEU 68 -0.003 -1.638 -1.167 546 2HD2 LEU 68 2HD2 LEU 68 0.397 -0.099 -0.404 547 3HD2 LEU 68 3HD2 LEU 68 0.838 -1.615 0.383 548 H THR 69 H THR 69 4.875 -2.200 -2.889 549 HA THR 69 HA THR 69 4.145 -3.963 -5.122 550 HB THR 69 HB THR 69 6.463 -4.992 -4.484 551 HG1 THR 69 1HG THR 69 7.853 -3.396 -3.622 552 1HG2 THR 69 1HG2 THR 69 6.268 -2.297 -5.807 553 2HG2 THR 69 2HG2 THR 69 6.088 -3.868 -6.592 554 3HG2 THR 69 3HG2 THR 69 7.644 -3.398 -5.907 555 H TRP 70 H TRP 70 3.298 -5.868 -4.760 556 HA TRP 70 HA TRP 70 3.678 -7.207 -2.204 557 1HB TRP 70 2HB TRP 70 1.411 -5.808 -2.499 558 2HB TRP 70 1HB TRP 70 0.924 -7.281 -3.323 559 HD1 TRP 70 HD TRP 70 3.242 -8.179 -0.591 560 HE1 TRP 70 1HE TRP 70 1.928 -9.038 1.455 561 HE3 TRP 70 3HE TRP 70 -1.470 -6.697 -1.933 562 HZ2 TRP 70 2HZ TRP 70 -0.701 -9.077 2.379 563 HZ3 TRP 70 3HZ TRP 70 -3.333 -7.194 -0.401 564 HH2 TRP 70 HH TRP 70 -2.950 -8.367 1.709 565 H ARG 71 H ARG 71 4.078 -9.318 -2.502 566 HA ARG 71 HA ARG 71 3.087 -10.662 -4.886 567 1HB ARG 71 2HB ARG 71 5.881 -11.334 -4.509 568 2HB ARG 71 1HB ARG 71 5.036 -10.856 -5.971 569 1HG ARG 71 2HG ARG 71 5.735 -8.731 -4.014 570 2HG ARG 71 1HG ARG 71 7.026 -9.439 -4.978 571 1HD ARG 71 2HD ARG 71 5.640 -8.963 -7.012 572 2HD ARG 71 1HD ARG 71 4.551 -8.051 -5.971 573 HE ARG 71 HE ARG 71 6.113 -6.369 -5.832 574 1HH1 ARG 71 1HH1 ARG 71 7.550 -9.178 -7.333 575 2HH1 ARG 71 2HH1 ARG 71 8.981 -8.336 -7.820 576 1HH2 ARG 71 1HH2 ARG 71 8.000 -5.267 -6.473 577 2HH2 ARG 71 2HH2 ARG 71 9.238 -6.120 -7.332 578 H ASP 72 H ASP 72 2.680 -12.793 -4.547 579 HA ASP 72 HA ASP 72 2.928 -13.747 -1.841 580 1HB ASP 72 2HB ASP 72 1.719 -15.723 -2.640 581 2HB ASP 72 1HB ASP 72 0.911 -14.253 -3.165 582 H LYS 73 H LYS 73 3.833 -15.966 -1.436 583 HA LYS 73 HA LYS 73 6.511 -16.104 -1.806 584 1HB LYS 73 2HB LYS 73 4.863 -17.622 -0.448 585 2HB LYS 73 1HB LYS 73 4.994 -18.680 -1.846 586 1HG LYS 73 2HG LYS 73 7.204 -19.154 -1.452 587 2HG LYS 73 1HG LYS 73 7.479 -17.652 -0.568 588 1HD LYS 73 2HD LYS 73 5.511 -19.212 0.807 589 2HD LYS 73 1HD LYS 73 6.925 -20.216 0.480 590 1HE LYS 73 2HE LYS 73 8.191 -19.107 1.957 591 2HE LYS 73 1HE LYS 73 7.594 -17.536 1.426 592 1HZ LYS 73 1HZ LYS 73 6.135 -17.460 3.089 593 2HZ LYS 73 2HZ LYS 73 7.015 -18.723 3.791 594 3HZ LYS 73 3HZ LYS 73 5.637 -19.062 2.871 595 H GLU 74 H GLU 74 4.103 -16.932 -4.166 596 HA GLU 74 HA GLU 74 5.802 -18.470 -5.854 597 1HB GLU 74 2HB GLU 74 3.073 -17.691 -5.809 598 2HB GLU 74 1HB GLU 74 3.733 -17.176 -7.354 599 1HG GLU 74 2HG GLU 74 4.176 -19.954 -6.334 600 2HG GLU 74 1HG GLU 74 2.691 -19.510 -7.175 601 H ASN 75 H ASN 75 6.052 -15.322 -4.994 602 HA ASN 75 HA ASN 75 7.401 -13.656 -5.748 603 1HB ASN 75 2HB ASN 75 8.579 -15.693 -6.930 604 2HB ASN 75 1HB ASN 75 7.859 -15.001 -8.380 605 1HD2 ASN 75 1HD2 ASN 75 8.707 -13.185 -9.250 606 2HD2 ASN 75 2HD2 ASN 75 10.112 -12.385 -8.639 607 H ASN 76 H ASN 76 4.657 -13.447 -6.011 608 HA ASN 76 HA ASN 76 4.364 -11.309 -7.754 609 1HB ASN 76 2HB ASN 76 2.873 -12.435 -9.521 610 2HB ASN 76 1HB ASN 76 4.616 -12.618 -9.682 611 1HD2 ASN 76 1HD2 ASN 76 1.688 -14.200 -8.548 612 2HD2 ASN 76 2HD2 ASN 76 2.261 -15.817 -8.753 613 H SER 77 H SER 77 2.295 -10.389 -7.780 614 HA SER 77 HA SER 77 -0.044 -11.673 -6.887 615 1HB SER 77 2HB SER 77 1.495 -10.147 -4.824 616 2HB SER 77 1HB SER 77 -0.246 -10.317 -4.718 617 HG SER 77 HG SER 77 0.209 -12.658 -4.929 618 H GLY 78 H GLY 78 1.449 -8.463 -6.403 619 1HA GLY 78 2HA GLY 78 -0.058 -7.207 -8.449 620 2HA GLY 78 1HA GLY 78 -0.842 -6.960 -6.898 621 H LEU 79 H LEU 79 0.768 -5.255 -8.917 622 HA LEU 79 HA LEU 79 2.143 -3.708 -6.862 623 1HB LEU 79 2HB LEU 79 4.014 -4.895 -7.611 624 2HB LEU 79 1HB LEU 79 3.456 -4.917 -9.272 625 HG LEU 79 HG LEU 79 4.032 -2.589 -9.560 626 1HD1 LEU 79 1HD1 LEU 79 5.415 -1.633 -7.507 627 2HD1 LEU 79 2HD1 LEU 79 4.311 -2.677 -6.611 628 3HD1 LEU 79 3HD1 LEU 79 3.672 -1.407 -7.655 629 1HD2 LEU 79 1HD2 LEU 79 5.927 -3.695 -10.115 630 2HD2 LEU 79 2HD2 LEU 79 6.036 -4.517 -8.559 631 3HD2 LEU 79 3HD2 LEU 79 6.554 -2.837 -8.708 632 H ILE 80 H ILE 80 1.357 -1.693 -7.030 633 HA ILE 80 HA ILE 80 1.214 -0.378 -9.603 634 HB ILE 80 HB ILE 80 -1.192 0.265 -9.300 635 1HG1 ILE 80 2HG1 ILE 80 -1.532 -2.196 -7.649 636 2HG1 ILE 80 1HG1 ILE 80 -1.050 -0.707 -6.847 637 1HG2 ILE 80 1HG2 ILE 80 -0.790 -2.685 -9.731 638 2HG2 ILE 80 2HG2 ILE 80 -0.346 -1.454 -10.915 639 3HG2 ILE 80 3HG2 ILE 80 -2.032 -1.649 -10.436 640 1HD1 ILE 80 1HD1 ILE 80 -3.516 -1.217 -6.905 641 2HD1 ILE 80 2HD1 ILE 80 -3.452 -0.873 -8.633 642 3HD1 ILE 80 3HD1 ILE 80 -3.034 0.383 -7.467 643 H LYS 81 H LYS 81 -0.175 1.832 -9.137 644 HA LYS 81 HA LYS 81 1.236 3.061 -6.884 645 1HB LYS 81 2HB LYS 81 0.806 5.191 -7.997 646 2HB LYS 81 1HB LYS 81 1.612 4.063 -9.076 647 1HG LYS 81 2HG LYS 81 -0.950 3.549 -9.703 648 2HG LYS 81 1HG LYS 81 -1.079 5.245 -9.232 649 1HD LYS 81 2HD LYS 81 0.923 4.183 -11.222 650 2HD LYS 81 1HD LYS 81 -0.636 4.885 -11.663 651 1HE LYS 81 2HE LYS 81 1.212 6.424 -9.899 652 2HE LYS 81 1HE LYS 81 1.537 6.354 -11.630 653 1HZ LYS 81 1HZ LYS 81 -0.461 7.416 -12.119 654 2HZ LYS 81 2HZ LYS 81 0.113 8.260 -10.771 655 3HZ LYS 81 3HZ LYS 81 -1.122 7.120 -10.590 656 HA PRO 82 HA PRO 82 -2.924 3.292 -5.086 657 1HB PRO 82 2HB PRO 82 -1.875 3.009 -2.493 658 2HB PRO 82 1HB PRO 82 -2.556 1.725 -3.489 659 1HG PRO 82 2HG PRO 82 0.121 1.955 -2.685 660 2HG PRO 82 1HG PRO 82 -0.508 0.870 -3.935 661 1HD PRO 82 2HD PRO 82 0.820 3.523 -4.218 662 2HD PRO 82 1HD PRO 82 0.917 2.096 -5.268 663 H PHE 83 H PHE 83 -3.299 4.401 -2.650 664 HA PHE 83 HA PHE 83 -2.271 7.132 -2.983 665 1HB PHE 83 2HB PHE 83 -4.978 6.073 -2.413 666 2HB PHE 83 1HB PHE 83 -4.501 7.495 -1.491 667 HD1 PHE 83 1HD PHE 83 -2.827 8.862 -3.514 668 HD2 PHE 83 2HD PHE 83 -6.594 6.928 -3.862 669 HE1 PHE 83 1HE PHE 83 -3.382 10.306 -5.434 670 HE2 PHE 83 2HE PHE 83 -7.161 8.360 -5.782 671 HZ PHE 83 HZ PHE 83 -5.553 10.054 -6.570 672 H VAL 84 H VAL 84 -0.948 7.754 -1.435 673 HA VAL 84 HA VAL 84 -1.090 6.456 1.175 674 HB VAL 84 HB VAL 84 1.250 7.911 -0.016 675 1HG1 VAL 84 1HG1 VAL 84 1.673 5.778 1.910 676 2HG1 VAL 84 2HG1 VAL 84 0.850 7.211 2.530 677 3HG1 VAL 84 3HG1 VAL 84 2.437 7.363 1.759 678 1HG2 VAL 84 1HG2 VAL 84 0.233 5.270 -0.643 679 2HG2 VAL 84 2HG2 VAL 84 1.907 5.249 -0.088 680 3HG2 VAL 84 3HG2 VAL 84 1.449 6.241 -1.471 681 H ILE 85 H ILE 85 -2.073 7.699 2.641 682 HA ILE 85 HA ILE 85 -1.503 10.581 2.620 683 HB ILE 85 HB ILE 85 -3.891 10.067 4.035 684 1HG1 ILE 85 2HG1 ILE 85 -4.024 8.956 1.234 685 2HG1 ILE 85 1HG1 ILE 85 -4.016 7.978 2.693 686 1HG2 ILE 85 1HG2 ILE 85 -3.720 12.176 3.135 687 2HG2 ILE 85 2HG2 ILE 85 -4.811 11.419 1.975 688 3HG2 ILE 85 3HG2 ILE 85 -3.097 11.585 1.596 689 1HD1 ILE 85 1HD1 ILE 85 -6.122 8.808 3.366 690 2HD1 ILE 85 2HD1 ILE 85 -6.260 8.391 1.658 691 3HD1 ILE 85 3HD1 ILE 85 -6.086 10.077 2.143 692 HA PRO 86 HA PRO 86 -0.171 9.813 6.774 693 1HB PRO 86 2HB PRO 86 -0.030 12.310 7.722 694 2HB PRO 86 1HB PRO 86 1.042 11.759 6.429 695 1HG PRO 86 2HG PRO 86 -1.419 13.443 6.262 696 2HG PRO 86 1HG PRO 86 0.104 13.593 5.370 697 1HD PRO 86 2HD PRO 86 -2.207 12.407 4.395 698 2HD PRO 86 1HD PRO 86 -0.575 12.128 3.763 699 H ASN 87 H ASN 87 -2.871 9.180 6.562 700 HA ASN 87 HA ASN 87 -3.837 10.171 9.131 701 1HB ASN 87 2HB ASN 87 -6.182 10.261 8.098 702 2HB ASN 87 1HB ASN 87 -5.074 11.575 7.721 703 1HD2 ASN 87 1HD2 ASN 87 -5.305 12.193 5.709 704 2HD2 ASN 87 2HD2 ASN 87 -5.552 11.164 4.344 705 H LEU 88 H LEU 88 -3.026 7.525 7.418 706 HA LEU 88 HA LEU 88 -3.376 5.296 7.747 707 1HB LEU 88 2HB LEU 88 -3.613 6.280 10.181 708 2HB LEU 88 1HB LEU 88 -5.292 5.832 9.967 709 HG LEU 88 HG LEU 88 -4.518 3.494 9.456 710 1HD1 LEU 88 1HD1 LEU 88 -2.358 3.201 9.045 711 2HD1 LEU 88 2HD1 LEU 88 -2.070 3.436 10.767 712 3HD1 LEU 88 3HD1 LEU 88 -1.951 4.802 9.659 713 1HD2 LEU 88 1HD2 LEU 88 -3.634 4.407 12.177 714 2HD2 LEU 88 2HD2 LEU 88 -4.387 2.881 11.720 715 3HD2 LEU 88 3HD2 LEU 88 -5.331 4.372 11.702 716 HA PRO 89 HA PRO 89 -7.489 5.554 5.651 717 1HB PRO 89 2HB PRO 89 -6.254 4.300 3.356 718 2HB PRO 89 1HB PRO 89 -6.950 5.916 3.485 719 1HG PRO 89 2HG PRO 89 -4.281 5.446 3.152 720 2HG PRO 89 1HG PRO 89 -4.933 6.886 3.950 721 1HD PRO 89 2HD PRO 89 -3.818 4.386 5.168 722 2HD PRO 89 1HD PRO 89 -3.562 6.081 5.636 723 H VAL 90 H VAL 90 -6.081 3.346 7.299 724 HA VAL 90 HA VAL 90 -6.692 1.248 7.958 725 HB VAL 90 HB VAL 90 -8.573 1.244 5.621 726 1HG1 VAL 90 1HG1 VAL 90 -8.796 -0.899 6.255 727 2HG1 VAL 90 2HG1 VAL 90 -9.721 -0.244 7.607 728 3HG1 VAL 90 3HG1 VAL 90 -8.011 -0.617 7.809 729 1HG2 VAL 90 1HG2 VAL 90 -8.656 2.728 8.115 730 2HG2 VAL 90 2HG2 VAL 90 -10.072 1.696 7.902 731 3HG2 VAL 90 3HG2 VAL 90 -9.658 2.889 6.670 732 H ASN 91 H ASN 91 -5.075 2.027 5.277 733 HA ASN 91 HA ASN 91 -3.891 0.951 3.658 734 1HB ASN 91 2HB ASN 91 -2.687 -1.121 4.532 735 2HB ASN 91 1HB ASN 91 -2.437 0.377 5.415 736 1HD2 ASN 91 1HD2 ASN 91 -3.224 -2.845 5.645 737 2HD2 ASN 91 2HD2 ASN 91 -3.834 -2.860 7.259 738 H LEU 92 H LEU 92 -5.696 0.553 2.284 739 HA LEU 92 HA LEU 92 -6.475 -2.290 2.170 740 1HB LEU 92 2HB LEU 92 -8.322 -1.206 0.589 741 2HB LEU 92 1HB LEU 92 -8.551 -1.389 2.320 742 HG LEU 92 HG LEU 92 -7.333 1.162 1.468 743 1HD1 LEU 92 1HD1 LEU 92 -10.041 0.271 0.577 744 2HD1 LEU 92 2HD1 LEU 92 -8.822 1.198 -0.295 745 3HD1 LEU 92 3HD1 LEU 92 -9.758 1.962 0.989 746 1HD2 LEU 92 1HD2 LEU 92 -7.861 0.846 3.772 747 2HD2 LEU 92 2HD2 LEU 92 -9.498 0.317 3.384 748 3HD2 LEU 92 3HD2 LEU 92 -9.028 1.995 3.115 749 H TRP 93 H TRP 93 -6.775 -3.165 0.005 750 HA TRP 93 HA TRP 93 -4.820 -2.001 -1.844 751 1HB TRP 93 2HB TRP 93 -5.292 -4.650 -0.958 752 2HB TRP 93 1HB TRP 93 -5.678 -4.586 -2.675 753 HD1 TRP 93 HD TRP 93 -3.702 -4.391 -4.358 754 HE1 TRP 93 1HE TRP 93 -1.142 -4.392 -4.111 755 HE3 TRP 93 3HE TRP 93 -3.372 -3.833 0.711 756 HZ2 TRP 93 2HZ TRP 93 0.752 -4.173 -2.061 757 HZ3 TRP 93 3HZ TRP 93 -1.137 -3.731 1.740 758 HH2 TRP 93 HH TRP 93 0.885 -3.901 0.381 759 H GLY 94 H GLY 94 -5.448 -2.948 -4.211 760 1HA GLY 94 2HA GLY 94 -8.089 -1.760 -4.738 761 2HA GLY 94 1HA GLY 94 -6.754 -1.801 -5.877 762 H ARG 95 H ARG 95 -9.375 -2.698 -6.471 763 HA ARG 95 HA ARG 95 -9.694 -5.463 -6.125 764 1HB ARG 95 2HB ARG 95 -10.881 -4.726 -8.621 765 2HB ARG 95 1HB ARG 95 -11.643 -5.151 -7.106 766 1HG ARG 95 2HG ARG 95 -10.887 -2.529 -6.711 767 2HG ARG 95 1HG ARG 95 -11.379 -2.572 -8.401 768 1HD ARG 95 2HD ARG 95 -12.980 -3.271 -5.959 769 2HD ARG 95 1HD ARG 95 -13.335 -2.075 -7.201 770 HE ARG 95 HE ARG 95 -14.026 -4.833 -7.240 771 1HH1 ARG 95 1HH1 ARG 95 -13.106 -2.170 -9.301 772 2HH1 ARG 95 2HH1 ARG 95 -13.889 -2.819 -10.701 773 1HH2 ARG 95 1HH2 ARG 95 -15.056 -5.689 -9.084 774 2HH2 ARG 95 2HH2 ARG 95 -14.995 -4.816 -10.579 775 H ASP 96 H ASP 96 -7.840 -3.678 -8.472 776 HA ASP 96 HA ASP 96 -7.574 -5.704 -10.399 777 1HB ASP 96 2HB ASP 96 -6.375 -3.120 -9.844 778 2HB ASP 96 1HB ASP 96 -5.187 -4.259 -10.474 779 H LEU 97 H LEU 97 -5.576 -4.946 -7.558 780 HA LEU 97 HA LEU 97 -3.685 -7.013 -8.156 781 1HB LEU 97 2HB LEU 97 -4.032 -5.717 -5.463 782 2HB LEU 97 1HB LEU 97 -2.605 -6.482 -6.114 783 HG LEU 97 HG LEU 97 -3.396 -3.719 -6.220 784 1HD1 LEU 97 1HD1 LEU 97 -1.097 -5.224 -5.977 785 2HD1 LEU 97 2HD1 LEU 97 -1.196 -3.466 -6.078 786 3HD1 LEU 97 3HD1 LEU 97 -0.908 -4.418 -7.533 787 1HD2 LEU 97 1HD2 LEU 97 -2.471 -3.559 -8.692 788 2HD2 LEU 97 2HD2 LEU 97 -4.194 -3.702 -8.353 789 3HD2 LEU 97 3HD2 LEU 97 -3.268 -5.123 -8.836 790 H LEU 98 H LEU 98 -6.172 -6.656 -5.624 791 HA LEU 98 HA LEU 98 -5.836 -9.232 -4.567 792 1HB LEU 98 2HB LEU 98 -8.480 -7.798 -4.540 793 2HB LEU 98 1HB LEU 98 -7.785 -8.849 -3.321 794 HG LEU 98 HG LEU 98 -7.294 -5.957 -3.825 795 1HD1 LEU 98 1HD1 LEU 98 -7.921 -5.720 -1.699 796 2HD1 LEU 98 2HD1 LEU 98 -6.996 -7.121 -1.162 797 3HD1 LEU 98 3HD1 LEU 98 -8.587 -7.341 -1.893 798 1HD2 LEU 98 1HD2 LEU 98 -5.244 -6.500 -2.163 799 2HD2 LEU 98 2HD2 LEU 98 -5.069 -6.297 -3.905 800 3HD2 LEU 98 3HD2 LEU 98 -5.189 -7.913 -3.213 801 H SER 99 H SER 99 -7.512 -8.086 -7.375 802 HA SER 99 HA SER 99 -9.205 -10.308 -7.816 803 1HB SER 99 2HB SER 99 -9.705 -8.414 -9.124 804 2HB SER 99 1HB SER 99 -8.025 -8.211 -9.625 805 HG SER 99 HG SER 99 -8.222 -9.954 -10.974 806 H GLN 100 H GLN 100 -5.977 -9.479 -9.020 807 HA GLN 100 HA GLN 100 -5.570 -11.910 -10.425 808 1HB GLN 100 2HB GLN 100 -3.877 -9.640 -9.522 809 2HB GLN 100 1HB GLN 100 -3.071 -11.112 -10.041 810 1HG GLN 100 2HG GLN 100 -3.561 -10.775 -12.205 811 2HG GLN 100 1HG GLN 100 -5.164 -10.130 -11.852 812 1HE2 GLN 100 1HE2 GLN 100 -1.867 -9.150 -10.976 813 2HE2 GLN 100 2HE2 GLN 100 -2.012 -7.526 -11.553 814 H MET 101 H MET 101 -4.415 -10.767 -7.257 815 HA MET 101 HA MET 101 -2.810 -12.787 -6.457 816 1HB MET 101 2HB MET 101 -4.635 -10.946 -5.043 817 2HB MET 101 1HB MET 101 -4.094 -12.346 -4.125 818 1HG MET 101 2HG MET 101 -1.738 -11.680 -4.887 819 2HG MET 101 1HG MET 101 -2.468 -10.130 -5.306 820 1HE MET 101 1HE MET 101 -2.004 -8.133 -3.166 821 2HE MET 101 2HE MET 101 -3.465 -8.464 -2.233 822 3HE MET 101 3HE MET 101 -3.481 -8.625 -3.992 823 H LYS 102 H LYS 102 -6.298 -12.794 -5.599 824 HA LYS 102 HA LYS 102 -6.615 -15.519 -6.350 825 1HB LYS 102 2HB LYS 102 -5.204 -15.716 -4.273 826 2HB LYS 102 1HB LYS 102 -6.553 -15.037 -3.372 827 1HG LYS 102 2HG LYS 102 -7.816 -17.035 -4.645 828 2HG LYS 102 1HG LYS 102 -6.198 -17.726 -4.520 829 1HD LYS 102 2HD LYS 102 -6.571 -16.689 -2.018 830 2HD LYS 102 1HD LYS 102 -8.199 -17.223 -2.441 831 1HE LYS 102 2HE LYS 102 -7.182 -19.433 -3.092 832 2HE LYS 102 1HE LYS 102 -5.678 -18.867 -2.367 833 1HZ LYS 102 1HZ LYS 102 -7.241 -18.415 -0.342 834 2HZ LYS 102 2HZ LYS 102 -6.615 -19.961 -0.616 835 3HZ LYS 102 3HZ LYS 102 -8.204 -19.600 -1.072 836 H ILE 103 H ILE 103 -8.060 -13.125 -6.812 837 HA ILE 103 HA ILE 103 -10.546 -13.676 -5.313 838 HB ILE 103 HB ILE 103 -9.502 -11.135 -6.512 839 1HG1 ILE 103 2HG1 ILE 103 -10.672 -11.823 -3.816 840 2HG1 ILE 103 1HG1 ILE 103 -8.960 -11.621 -4.175 841 1HG2 ILE 103 1HG2 ILE 103 -12.365 -11.781 -5.853 842 2HG2 ILE 103 2HG2 ILE 103 -11.711 -11.202 -7.384 843 3HG2 ILE 103 3HG2 ILE 103 -11.748 -10.134 -5.980 844 1HD1 ILE 103 1HD1 ILE 103 -9.594 -9.612 -3.191 845 2HD1 ILE 103 2HD1 ILE 103 -11.114 -9.549 -4.084 846 3HD1 ILE 103 3HD1 ILE 103 -9.588 -9.264 -4.919 847 H MET 104 H MET 104 -9.113 -13.220 -8.480 848 HA MET 104 HA MET 104 -11.360 -13.123 -10.088 849 1HB MET 104 2HB MET 104 -9.989 -13.837 -11.888 850 2HB MET 104 1HB MET 104 -8.941 -12.934 -10.806 851 1HG MET 104 2HG MET 104 -9.119 -15.915 -10.620 852 2HG MET 104 1HG MET 104 -8.099 -15.140 -11.829 853 1HE MET 104 1HE MET 104 -5.398 -14.092 -10.924 854 2HE MET 104 2HE MET 104 -6.059 -15.615 -11.518 855 3HE MET 104 3HE MET 104 -5.057 -15.595 -10.068 856 H MET 105 H MET 105 -11.911 -15.044 -11.673 857 HA MET 105 HA MET 105 -13.154 -17.041 -10.055 858 1HB MET 105 2HB MET 105 -13.748 -15.967 -12.463 859 2HB MET 105 1HB MET 105 -12.999 -17.470 -12.980 860 1HG MET 105 2HG MET 105 -15.298 -17.908 -12.836 861 2HG MET 105 1HG MET 105 -14.577 -18.654 -11.412 862 1HE MET 105 1HE MET 105 -15.834 -17.696 -8.642 863 2HE MET 105 2HE MET 105 -15.905 -18.958 -9.872 864 3HE MET 105 3HE MET 105 -17.363 -18.067 -9.438 865 H ALA 106 H ALA 106 -11.079 -17.792 -9.104 866 HA ALA 106 HA ALA 106 -9.484 -19.516 -10.836 867 1HB ALA 106 1HB ALA 106 -9.084 -18.181 -8.261 868 2HB ALA 106 2HB ALA 106 -7.919 -18.604 -9.514 869 3HB ALA 106 3HB ALA 106 -8.428 -19.818 -8.339 870 H SER 107 H SER 107 -9.457 -21.706 -10.742 871 HA SER 107 HA SER 107 -10.176 -23.824 -10.329 872 1HB SER 107 2HB SER 107 -10.143 -22.549 -7.645 873 2HB SER 107 1HB SER 107 -11.007 -24.080 -7.789 874 HG SER 107 HG SER 107 -8.366 -23.710 -8.739 Start of MODEL 6 1 1H TRP 1 1HT TRP 1 8.144 -14.851 8.456 2 2H TRP 1 2HT TRP 1 8.475 -14.377 6.840 3 3H TRP 1 3HT TRP 1 9.648 -15.252 7.737 4 HA TRP 1 HA TRP 1 8.797 -16.873 6.465 5 1HB TRP 1 2HB TRP 1 7.244 -16.664 9.038 6 2HB TRP 1 1HB TRP 1 7.043 -18.044 7.963 7 HD1 TRP 1 HD TRP 1 10.174 -16.219 9.392 8 HE1 TRP 1 1HE TRP 1 11.793 -18.016 10.268 9 HE3 TRP 1 3HE TRP 1 7.421 -20.391 8.311 10 HZ2 TRP 1 2HZ TRP 1 11.892 -20.831 10.477 11 HZ3 TRP 1 3HZ TRP 1 8.349 -22.596 8.883 12 HH2 TRP 1 HH TRP 1 10.538 -22.811 9.942 13 H VAL 2 H VAL 2 7.594 -17.155 4.711 14 HA VAL 2 HA VAL 2 5.158 -15.582 4.387 15 HB VAL 2 HB VAL 2 6.838 -15.515 2.591 16 1HG1 VAL 2 1HG1 VAL 2 6.256 -18.141 1.488 17 2HG1 VAL 2 2HG1 VAL 2 7.084 -18.227 3.044 18 3HG1 VAL 2 3HG1 VAL 2 7.804 -17.323 1.711 19 1HG2 VAL 2 1HG2 VAL 2 4.278 -16.871 1.747 20 2HG2 VAL 2 2HG2 VAL 2 5.322 -15.878 0.729 21 3HG2 VAL 2 3HG2 VAL 2 4.463 -15.149 2.085 22 H GLN 3 H GLN 3 3.146 -16.434 4.069 23 HA GLN 3 HA GLN 3 2.805 -19.306 3.817 24 1HB GLN 3 2HB GLN 3 2.930 -18.545 6.322 25 2HB GLN 3 1HB GLN 3 1.291 -17.975 6.033 26 1HG GLN 3 2HG GLN 3 0.471 -20.115 5.680 27 2HG GLN 3 1HG GLN 3 2.071 -20.778 5.346 28 1HE2 GLN 3 1HE2 GLN 3 0.311 -19.136 7.956 29 2HE2 GLN 3 2HE2 GLN 3 0.952 -20.109 9.231 30 HA PRO 4 HA PRO 4 -0.588 -17.793 1.387 31 1HB PRO 4 2HB PRO 4 -1.838 -20.118 0.873 32 2HB PRO 4 1HB PRO 4 -0.273 -19.723 0.154 33 1HG PRO 4 2HG PRO 4 -0.889 -21.461 2.514 34 2HG PRO 4 1HG PRO 4 0.248 -21.745 1.182 35 1HD PRO 4 2HD PRO 4 1.006 -20.822 3.637 36 2HD PRO 4 1HD PRO 4 1.883 -20.450 2.140 37 H ILE 5 H ILE 5 -2.906 -17.586 1.424 38 HA ILE 5 HA ILE 5 -4.036 -18.044 4.105 39 HB ILE 5 HB ILE 5 -3.901 -15.687 3.530 40 1HG1 ILE 5 2HG1 ILE 5 -6.321 -15.092 3.733 41 2HG1 ILE 5 1HG1 ILE 5 -6.721 -16.780 3.431 42 1HG2 ILE 5 1HG2 ILE 5 -5.176 -14.773 1.633 43 2HG2 ILE 5 2HG2 ILE 5 -5.554 -16.417 1.118 44 3HG2 ILE 5 3HG2 ILE 5 -3.882 -15.854 1.118 45 1HD1 ILE 5 1HD1 ILE 5 -4.943 -16.965 5.495 46 2HD1 ILE 5 2HD1 ILE 5 -6.700 -16.978 5.647 47 3HD1 ILE 5 3HD1 ILE 5 -5.807 -15.473 5.865 48 H THR 6 H THR 6 -5.890 -19.165 4.352 49 HA THR 6 HA THR 6 -6.982 -20.468 1.976 50 HB THR 6 HB THR 6 -6.409 -22.002 3.710 51 HG1 THR 6 1HG THR 6 -8.468 -22.343 2.706 52 1HG2 THR 6 1HG2 THR 6 -6.255 -20.761 5.681 53 2HG2 THR 6 2HG2 THR 6 -7.606 -21.862 5.944 54 3HG2 THR 6 3HG2 THR 6 -7.912 -20.172 5.543 55 H ALA 7 H ALA 7 -9.031 -20.178 1.254 56 HA ALA 7 HA ALA 7 -11.084 -19.236 0.975 57 1HB ALA 7 1HB ALA 7 -11.037 -20.121 3.582 58 2HB ALA 7 2HB ALA 7 -12.460 -19.564 2.703 59 3HB ALA 7 3HB ALA 7 -11.568 -18.445 3.734 60 H GLN 8 H GLN 8 -12.338 -17.098 2.291 61 HA GLN 8 HA GLN 8 -10.561 -14.905 1.493 62 1HB GLN 8 2HB GLN 8 -12.723 -15.058 0.328 63 2HB GLN 8 1HB GLN 8 -13.562 -14.927 1.868 64 1HG GLN 8 2HG GLN 8 -13.501 -12.821 0.572 65 2HG GLN 8 1HG GLN 8 -12.787 -12.690 2.179 66 1HE2 GLN 8 1HE2 GLN 8 -11.884 -13.373 -1.180 67 2HE2 GLN 8 2HE2 GLN 8 -10.377 -12.529 -1.129 68 H LYS 9 H LYS 9 -9.507 -13.975 3.063 69 HA LYS 9 HA LYS 9 -10.916 -13.033 5.416 70 1HB LYS 9 2HB LYS 9 -9.386 -15.406 5.525 71 2HB LYS 9 1HB LYS 9 -8.415 -14.165 6.304 72 1HG LYS 9 2HG LYS 9 -9.585 -14.789 8.118 73 2HG LYS 9 1HG LYS 9 -10.787 -13.679 7.462 74 1HD LYS 9 2HD LYS 9 -11.079 -16.260 6.240 75 2HD LYS 9 1HD LYS 9 -11.082 -16.426 7.997 76 1HE LYS 9 2HE LYS 9 -12.821 -14.535 6.416 77 2HE LYS 9 1HE LYS 9 -13.340 -16.084 7.077 78 1HZ LYS 9 1HZ LYS 9 -13.219 -15.298 9.233 79 2HZ LYS 9 2HZ LYS 9 -13.818 -13.953 8.399 80 3HZ LYS 9 3HZ LYS 9 -12.184 -14.019 8.836 81 HA PRO 10 HA PRO 10 -8.190 -9.638 4.592 82 1HB PRO 10 2HB PRO 10 -8.344 -8.318 6.956 83 2HB PRO 10 1HB PRO 10 -9.663 -8.330 5.781 84 1HG PRO 10 2HG PRO 10 -9.321 -9.968 8.262 85 2HG PRO 10 1HG PRO 10 -10.775 -9.163 7.644 86 1HD PRO 10 2HD PRO 10 -10.322 -11.817 7.330 87 2HD PRO 10 1HD PRO 10 -11.229 -10.852 6.150 88 H SER 11 H SER 11 -6.760 -11.961 5.149 89 HA SER 11 HA SER 11 -4.442 -10.838 6.461 90 1HB SER 11 2HB SER 11 -6.091 -12.254 8.090 91 2HB SER 11 1HB SER 11 -5.055 -13.545 7.480 92 HG SER 11 HG SER 11 -4.449 -11.408 9.135 93 H LEU 12 H LEU 12 -2.834 -11.240 5.104 94 HA LEU 12 HA LEU 12 -2.366 -13.906 4.116 95 1HB LEU 12 2HB LEU 12 -3.907 -13.105 2.429 96 2HB LEU 12 1HB LEU 12 -2.973 -11.636 2.225 97 HG LEU 12 HG LEU 12 -1.229 -12.759 1.111 98 1HD1 LEU 12 1HD1 LEU 12 -1.682 -15.409 0.889 99 2HD1 LEU 12 2HD1 LEU 12 -2.274 -15.114 2.524 100 3HD1 LEU 12 3HD1 LEU 12 -0.618 -14.684 2.093 101 1HD2 LEU 12 1HD2 LEU 12 -3.860 -13.949 0.250 102 2HD2 LEU 12 2HD2 LEU 12 -2.380 -13.973 -0.712 103 3HD2 LEU 12 3HD2 LEU 12 -3.146 -12.436 -0.308 104 H THR 13 H THR 13 -0.270 -14.223 4.393 105 HA THR 13 HA THR 13 1.523 -11.950 4.605 106 HB THR 13 HB THR 13 2.537 -14.735 4.816 107 HG1 THR 13 1HG THR 13 0.956 -13.592 6.865 108 1HG2 THR 13 1HG2 THR 13 2.887 -12.274 6.506 109 2HG2 THR 13 2HG2 THR 13 4.042 -12.937 5.350 110 3HG2 THR 13 3HG2 THR 13 3.644 -13.835 6.815 111 H LEU 14 H LEU 14 2.452 -11.158 2.888 112 HA LEU 14 HA LEU 14 3.690 -12.946 0.936 113 1HB LEU 14 2HB LEU 14 2.073 -10.544 0.111 114 2HB LEU 14 1HB LEU 14 2.883 -11.679 -0.942 115 HG LEU 14 HG LEU 14 0.451 -12.191 0.758 116 1HD1 LEU 14 1HD1 LEU 14 0.919 -11.849 -2.179 117 2HD1 LEU 14 2HD1 LEU 14 -0.245 -11.031 -1.135 118 3HD1 LEU 14 3HD1 LEU 14 -0.485 -12.723 -1.566 119 1HD2 LEU 14 1HD2 LEU 14 2.400 -14.057 -0.089 120 2HD2 LEU 14 2HD2 LEU 14 0.967 -14.302 -1.084 121 3HD2 LEU 14 3HD2 LEU 14 0.844 -14.370 0.675 122 H TRP 15 H TRP 15 5.273 -11.730 -0.446 123 HA TRP 15 HA TRP 15 6.601 -9.810 1.267 124 1HB TRP 15 2HB TRP 15 8.584 -10.301 0.209 125 2HB TRP 15 1HB TRP 15 7.728 -11.827 0.119 126 HD1 TRP 15 HD TRP 15 6.107 -10.145 -2.592 127 HE1 TRP 15 1HE TRP 15 7.332 -10.506 -4.818 128 HE3 TRP 15 3HE TRP 15 10.596 -11.840 -0.827 129 HZ2 TRP 15 2HZ TRP 15 9.828 -11.397 -5.729 130 HZ3 TRP 15 3HZ TRP 15 12.341 -12.430 -2.452 131 HH2 TRP 15 HH TRP 15 11.967 -12.217 -4.848 132 H LEU 16 H LEU 16 7.406 -7.853 0.575 133 HA LEU 16 HA LEU 16 6.171 -6.681 -1.796 134 1HB LEU 16 2HB LEU 16 5.237 -6.246 0.800 135 2HB LEU 16 1HB LEU 16 6.176 -4.820 0.412 136 HG LEU 16 HG LEU 16 4.092 -5.798 -1.494 137 1HD1 LEU 16 1HD1 LEU 16 3.398 -5.366 1.065 138 2HD1 LEU 16 2HD1 LEU 16 2.351 -5.016 -0.309 139 3HD1 LEU 16 3HD1 LEU 16 3.296 -3.724 0.430 140 1HD2 LEU 16 1HD2 LEU 16 4.031 -3.497 -2.170 141 2HD2 LEU 16 2HD2 LEU 16 5.711 -4.029 -2.146 142 3HD2 LEU 16 3HD2 LEU 16 5.084 -3.032 -0.834 143 H ASP 17 H ASP 17 7.528 -5.387 -2.906 144 HA ASP 17 HA ASP 17 9.494 -4.414 -3.534 145 1HB ASP 17 2HB ASP 17 8.417 -2.894 -1.595 146 2HB ASP 17 1HB ASP 17 9.945 -3.300 -0.820 147 H ASP 18 H ASP 18 9.626 -7.086 -2.353 148 HA ASP 18 HA ASP 18 11.293 -8.610 -2.029 149 1HB ASP 18 2HB ASP 18 12.736 -6.376 -2.904 150 2HB ASP 18 1HB ASP 18 13.537 -6.874 -1.417 151 H LYS 19 H LYS 19 9.621 -7.742 0.011 152 HA LYS 19 HA LYS 19 11.225 -8.457 2.313 153 1HB LYS 19 2HB LYS 19 9.685 -5.855 2.270 154 2HB LYS 19 1HB LYS 19 10.481 -6.549 3.675 155 1HG LYS 19 2HG LYS 19 12.624 -6.439 2.275 156 2HG LYS 19 1HG LYS 19 11.712 -5.357 1.220 157 1HD LYS 19 2HD LYS 19 11.214 -3.949 3.227 158 2HD LYS 19 1HD LYS 19 12.317 -4.972 4.148 159 1HE LYS 19 2HE LYS 19 13.497 -4.021 1.669 160 2HE LYS 19 1HE LYS 19 12.986 -2.700 2.720 161 1HZ LYS 19 1HZ LYS 19 15.002 -3.056 3.622 162 2HZ LYS 19 2HZ LYS 19 15.093 -4.663 3.102 163 3HZ LYS 19 3HZ LYS 19 14.195 -4.271 4.480 164 H MET 20 H MET 20 10.087 -10.153 2.994 165 HA MET 20 HA MET 20 7.377 -10.609 2.557 166 1HB MET 20 2HB MET 20 9.525 -11.942 3.851 167 2HB MET 20 1HB MET 20 8.152 -11.946 4.947 168 1HG MET 20 2HG MET 20 7.664 -13.833 3.808 169 2HG MET 20 1HG MET 20 6.886 -12.679 2.728 170 1HE MET 20 1HE MET 20 6.688 -13.750 0.852 171 2HE MET 20 2HE MET 20 7.578 -15.265 0.713 172 3HE MET 20 3HE MET 20 7.935 -13.930 -0.383 173 H PHE 21 H PHE 21 5.589 -9.856 3.440 174 HA PHE 21 HA PHE 21 5.521 -8.975 6.204 175 1HB PHE 21 2HB PHE 21 6.016 -7.071 4.292 176 2HB PHE 21 1HB PHE 21 4.260 -7.008 4.418 177 HD1 PHE 21 1HD PHE 21 3.259 -5.800 6.124 178 HD2 PHE 21 2HD PHE 21 7.352 -6.907 6.478 179 HE1 PHE 21 1HE PHE 21 3.454 -4.415 8.148 180 HE2 PHE 21 2HE PHE 21 7.554 -5.525 8.503 181 HZ PHE 21 HZ PHE 21 5.604 -4.276 9.340 182 H THR 22 H THR 22 3.102 -7.978 6.510 183 HA THR 22 HA THR 22 1.292 -9.901 5.199 184 HB THR 22 HB THR 22 0.351 -9.065 7.808 185 HG1 THR 22 1HG THR 22 2.841 -10.418 7.726 186 1HG2 THR 22 1HG2 THR 22 0.576 -11.615 8.166 187 2HG2 THR 22 2HG2 THR 22 0.897 -11.652 6.433 188 3HG2 THR 22 3HG2 THR 22 -0.627 -10.997 7.034 189 H GLY 23 H GLY 23 -0.842 -9.251 4.817 190 1HA GLY 23 2HA GLY 23 -1.550 -6.462 5.327 191 2HA GLY 23 1HA GLY 23 -1.455 -6.965 3.647 192 H LEU 24 H LEU 24 -3.849 -5.998 4.573 193 HA LEU 24 HA LEU 24 -5.483 -8.297 5.284 194 1HB LEU 24 2HB LEU 24 -6.671 -5.621 4.804 195 2HB LEU 24 1HB LEU 24 -7.058 -6.824 6.011 196 HG LEU 24 HG LEU 24 -4.624 -6.112 6.893 197 1HD1 LEU 24 1HD1 LEU 24 -5.599 -3.415 6.240 198 2HD1 LEU 24 2HD1 LEU 24 -4.899 -4.316 4.896 199 3HD1 LEU 24 3HD1 LEU 24 -3.951 -4.034 6.357 200 1HD2 LEU 24 1HD2 LEU 24 -6.783 -4.257 7.682 201 2HD2 LEU 24 2HD2 LEU 24 -5.744 -5.282 8.673 202 3HD2 LEU 24 3HD2 LEU 24 -7.130 -5.978 7.835 203 H ILE 25 H ILE 25 -6.404 -9.492 3.760 204 HA ILE 25 HA ILE 25 -6.619 -8.480 1.042 205 HB ILE 25 HB ILE 25 -7.493 -11.202 1.997 206 1HG1 ILE 25 2HG1 ILE 25 -5.185 -10.904 2.714 207 2HG1 ILE 25 1HG1 ILE 25 -5.235 -11.997 1.333 208 1HG2 ILE 25 1HG2 ILE 25 -7.292 -11.858 -0.261 209 2HG2 ILE 25 2HG2 ILE 25 -6.427 -10.383 -0.693 210 3HG2 ILE 25 3HG2 ILE 25 -8.141 -10.312 -0.282 211 1HD1 ILE 25 1HD1 ILE 25 -4.877 -9.623 0.091 212 2HD1 ILE 25 2HD1 ILE 25 -3.573 -10.709 0.573 213 3HD1 ILE 25 3HD1 ILE 25 -4.017 -9.349 1.605 214 H ASN 26 H ASN 26 -8.342 -7.312 0.542 215 HA ASN 26 HA ASN 26 -10.931 -8.034 1.737 216 1HB ASN 26 2HB ASN 26 -11.517 -5.656 0.742 217 2HB ASN 26 1HB ASN 26 -10.702 -5.811 2.294 218 1HD2 ASN 26 1HD2 ASN 26 -8.888 -4.732 2.571 219 2HD2 ASN 26 2HD2 ASN 26 -7.933 -4.017 1.320 220 H THR 27 H THR 27 -12.348 -9.023 0.485 221 HA THR 27 HA THR 27 -11.854 -9.372 -2.315 222 HB THR 27 HB THR 27 -12.799 -11.146 -0.870 223 HG1 THR 27 1HG THR 27 -13.172 -11.072 -3.180 224 1HG2 THR 27 1HG2 THR 27 -15.408 -9.670 -1.005 225 2HG2 THR 27 2HG2 THR 27 -14.348 -9.618 0.405 226 3HG2 THR 27 3HG2 THR 27 -15.031 -11.155 -0.130 227 H GLY 28 H GLY 28 -12.930 -6.728 -0.850 228 1HA GLY 28 2HA GLY 28 -14.623 -5.994 -3.132 229 2HA GLY 28 1HA GLY 28 -15.193 -5.672 -1.499 230 H ALA 29 H ALA 29 -12.099 -5.274 -3.217 231 HA ALA 29 HA ALA 29 -11.628 -2.754 -1.889 232 1HB ALA 29 1HB ALA 29 -9.687 -3.060 -3.850 233 2HB ALA 29 2HB ALA 29 -10.055 -4.705 -3.334 234 3HB ALA 29 3HB ALA 29 -9.551 -3.501 -2.148 235 H ASP 30 H ASP 30 -11.182 -0.787 -3.032 236 HA ASP 30 HA ASP 30 -12.441 -0.587 -5.678 237 1HB ASP 30 2HB ASP 30 -14.165 0.464 -4.676 238 2HB ASP 30 1HB ASP 30 -13.281 0.640 -3.167 239 H VAL 31 H VAL 31 -10.351 0.926 -3.265 240 HA VAL 31 HA VAL 31 -8.549 1.775 -5.380 241 HB VAL 31 HB VAL 31 -10.027 3.714 -5.090 242 1HG1 VAL 31 1HG1 VAL 31 -10.282 4.869 -3.045 243 2HG1 VAL 31 2HG1 VAL 31 -9.021 3.916 -2.262 244 3HG1 VAL 31 3HG1 VAL 31 -10.562 3.166 -2.681 245 1HG2 VAL 31 1HG2 VAL 31 -7.980 5.191 -4.022 246 2HG2 VAL 31 2HG2 VAL 31 -8.111 4.693 -5.709 247 3HG2 VAL 31 3HG2 VAL 31 -7.151 3.739 -4.579 248 H THR 32 H THR 32 -6.643 1.009 -4.777 249 HA THR 32 HA THR 32 -6.039 0.157 -2.166 250 HB THR 32 HB THR 32 -4.997 -0.834 -4.143 251 HG1 THR 32 1HG THR 32 -3.193 0.364 -2.324 252 1HG2 THR 32 1HG2 THR 32 -4.559 0.871 -5.651 253 2HG2 THR 32 2HG2 THR 32 -2.973 0.357 -5.077 254 3HG2 THR 32 3HG2 THR 32 -3.700 1.833 -4.452 255 H ILE 33 H ILE 33 -5.631 1.321 -0.502 256 HA ILE 33 HA ILE 33 -3.991 3.750 -0.794 257 HB ILE 33 HB ILE 33 -6.039 3.706 1.359 258 1HG1 ILE 33 2HG1 ILE 33 -7.365 3.129 -0.606 259 2HG1 ILE 33 1HG1 ILE 33 -7.697 4.786 -0.114 260 1HG2 ILE 33 1HG2 ILE 33 -5.933 6.092 1.121 261 2HG2 ILE 33 2HG2 ILE 33 -4.972 5.939 -0.351 262 3HG2 ILE 33 3HG2 ILE 33 -4.295 5.444 1.200 263 1HD1 ILE 33 1HD1 ILE 33 -5.604 4.940 -1.966 264 2HD1 ILE 33 2HD1 ILE 33 -7.287 5.418 -2.188 265 3HD1 ILE 33 3HD1 ILE 33 -6.766 3.792 -2.628 266 H ILE 34 H ILE 34 -2.202 3.576 0.344 267 HA ILE 34 HA ILE 34 -2.251 1.954 2.796 268 HB ILE 34 HB ILE 34 -0.708 1.425 0.605 269 1HG1 ILE 34 2HG1 ILE 34 0.819 0.289 2.467 270 2HG1 ILE 34 1HG1 ILE 34 -0.507 0.791 3.509 271 1HG2 ILE 34 1HG2 ILE 34 1.631 1.995 1.255 272 2HG2 ILE 34 2HG2 ILE 34 0.972 3.080 2.481 273 3HG2 ILE 34 3HG2 ILE 34 0.657 3.382 0.772 274 1HD1 ILE 34 1HD1 ILE 34 -1.649 -0.995 2.891 275 2HD1 ILE 34 2HD1 ILE 34 -0.336 -1.469 1.814 276 3HD1 ILE 34 3HD1 ILE 34 -1.632 -0.431 1.221 277 H LYS 35 H LYS 35 -1.952 3.074 4.579 278 HA LYS 35 HA LYS 35 -1.685 5.832 4.635 279 1HB LYS 35 2HB LYS 35 -1.103 5.462 7.097 280 2HB LYS 35 1HB LYS 35 -2.628 4.795 6.537 281 1HG LYS 35 2HG LYS 35 -0.358 2.958 6.341 282 2HG LYS 35 1HG LYS 35 -0.789 3.438 7.980 283 1HD LYS 35 2HD LYS 35 -3.237 2.920 6.990 284 2HD LYS 35 1HD LYS 35 -2.279 1.801 6.025 285 1HE LYS 35 2HE LYS 35 -3.262 0.999 8.282 286 2HE LYS 35 1HE LYS 35 -1.603 0.577 7.865 287 1HZ LYS 35 1HZ LYS 35 -0.757 1.962 9.445 288 2HZ LYS 35 2HZ LYS 35 -2.213 1.554 10.202 289 3HZ LYS 35 3HZ LYS 35 -2.065 3.033 9.397 290 H LEU 36 H LEU 36 0.000 7.123 5.703 291 HA LEU 36 HA LEU 36 2.468 6.762 4.363 292 1HB LEU 36 2HB LEU 36 1.214 8.851 5.614 293 2HB LEU 36 1HB LEU 36 2.536 8.507 6.717 294 HG LEU 36 HG LEU 36 2.854 9.064 3.770 295 1HD1 LEU 36 1HD1 LEU 36 2.183 11.097 4.746 296 2HD1 LEU 36 2HD1 LEU 36 3.942 11.175 4.647 297 3HD1 LEU 36 3HD1 LEU 36 3.161 10.818 6.187 298 1HD2 LEU 36 1HD2 LEU 36 4.882 8.737 5.975 299 2HD2 LEU 36 2HD2 LEU 36 5.242 9.249 4.327 300 3HD2 LEU 36 3HD2 LEU 36 4.607 7.632 4.629 301 H GLU 37 H GLU 37 1.305 5.784 7.491 302 HA GLU 37 HA GLU 37 3.746 5.398 8.815 303 1HB GLU 37 2HB GLU 37 1.144 3.887 9.110 304 2HB GLU 37 1HB GLU 37 2.489 3.803 10.240 305 1HG GLU 37 2HG GLU 37 2.251 6.176 10.720 306 2HG GLU 37 1HG GLU 37 0.919 6.281 9.571 307 H ASP 38 H ASP 38 2.261 3.632 6.256 308 HA ASP 38 HA ASP 38 4.134 1.397 6.646 309 1HB ASP 38 2HB ASP 38 1.381 1.580 5.672 310 2HB ASP 38 1HB ASP 38 2.424 0.636 4.612 311 H TRP 39 H TRP 39 4.681 4.096 5.435 312 HA TRP 39 HA TRP 39 5.302 3.317 2.681 313 1HB TRP 39 2HB TRP 39 4.646 5.410 2.236 314 2HB TRP 39 1HB TRP 39 4.551 5.795 3.948 315 HD1 TRP 39 HD TRP 39 6.667 6.358 0.883 316 HE1 TRP 39 1HE TRP 39 8.639 7.899 1.457 317 HE3 TRP 39 3HE TRP 39 6.199 6.420 5.978 318 HZ2 TRP 39 2HZ TRP 39 9.829 9.018 3.764 319 HZ3 TRP 39 3HZ TRP 39 7.792 7.755 7.290 320 HH2 TRP 39 HH TRP 39 9.571 9.024 6.205 321 HA PRO 40 HA PRO 40 9.603 2.619 3.315 322 1HB PRO 40 2HB PRO 40 10.100 4.422 1.012 323 2HB PRO 40 1HB PRO 40 10.590 2.743 1.253 324 1HG PRO 40 2HG PRO 40 8.616 3.393 -0.429 325 2HG PRO 40 1HG PRO 40 8.571 1.915 0.539 326 1HD PRO 40 2HD PRO 40 7.080 4.461 0.907 327 2HD PRO 40 1HD PRO 40 6.569 2.796 1.241 328 HA PRO 41 HA PRO 41 10.489 6.549 5.439 329 1HB PRO 41 2HB PRO 41 12.174 5.501 7.276 330 2HB PRO 41 1HB PRO 41 10.418 5.400 7.433 331 1HG PRO 41 2HG PRO 41 12.352 3.336 6.458 332 2HG PRO 41 1HG PRO 41 10.964 3.142 7.543 333 1HD PRO 41 2HD PRO 41 10.879 2.506 4.901 334 2HD PRO 41 1HD PRO 41 9.458 3.069 5.806 335 H ASN 42 H ASN 42 12.352 4.451 3.577 336 HA ASN 42 HA ASN 42 14.951 5.436 3.952 337 1HB ASN 42 2HB ASN 42 14.026 3.367 2.614 338 2HB ASN 42 1HB ASN 42 14.007 4.504 1.272 339 1HD2 ASN 42 1HD2 ASN 42 15.702 4.191 0.039 340 2HD2 ASN 42 2HD2 ASN 42 17.317 3.894 0.576 341 H TRP 43 H TRP 43 12.317 6.475 1.820 342 HA TRP 43 HA TRP 43 13.870 8.919 1.271 343 1HB TRP 43 2HB TRP 43 13.080 8.954 -1.015 344 2HB TRP 43 1HB TRP 43 13.858 7.405 -0.701 345 HD1 TRP 43 HD TRP 43 10.243 8.825 -0.697 346 HE1 TRP 43 1HE TRP 43 8.677 6.996 -1.598 347 HE3 TRP 43 3HE TRP 43 13.653 5.075 -1.338 348 HZ2 TRP 43 2HZ TRP 43 8.856 4.329 -2.466 349 HZ3 TRP 43 3HZ TRP 43 12.869 2.912 -2.206 350 HH2 TRP 43 HH TRP 43 10.516 2.552 -2.756 351 HA PRO 44 HA PRO 44 10.229 11.102 2.506 352 1HB PRO 44 2HB PRO 44 10.852 13.344 0.785 353 2HB PRO 44 1HB PRO 44 11.052 13.206 2.532 354 1HG PRO 44 2HG PRO 44 13.142 13.345 0.774 355 2HG PRO 44 1HG PRO 44 13.239 12.556 2.359 356 1HD PRO 44 2HD PRO 44 12.876 11.335 -0.352 357 2HD PRO 44 1HD PRO 44 13.859 10.775 1.018 358 H ILE 45 H ILE 45 8.208 11.931 1.803 359 HA ILE 45 HA ILE 45 7.584 11.528 -1.039 360 HB ILE 45 HB ILE 45 5.364 10.559 -0.288 361 1HG1 ILE 45 2HG1 ILE 45 6.152 9.286 2.067 362 2HG1 ILE 45 1HG1 ILE 45 6.645 10.962 2.293 363 1HG2 ILE 45 1HG2 ILE 45 6.889 9.115 -1.336 364 2HG2 ILE 45 2HG2 ILE 45 6.403 8.288 0.142 365 3HG2 ILE 45 3HG2 ILE 45 7.963 9.104 0.064 366 1HD1 ILE 45 1HD1 ILE 45 4.573 11.472 2.820 367 2HD1 ILE 45 2HD1 ILE 45 4.062 9.812 2.503 368 3HD1 ILE 45 3HD1 ILE 45 4.058 11.000 1.201 369 H THR 46 H THR 46 5.141 12.261 -1.382 370 HA THR 46 HA THR 46 5.032 15.001 -0.404 371 HB THR 46 HB THR 46 3.219 15.112 -2.244 372 HG1 THR 46 1HG THR 46 4.544 12.794 -3.162 373 1HG2 THR 46 1HG2 THR 46 5.365 16.122 -2.613 374 2HG2 THR 46 2HG2 THR 46 4.868 15.247 -4.059 375 3HG2 THR 46 3HG2 THR 46 6.077 14.550 -2.979 376 H ASP 47 H ASP 47 2.506 15.735 -0.393 377 HA ASP 47 HA ASP 47 0.868 13.811 1.048 378 1HB ASP 47 2HB ASP 47 2.082 14.904 2.855 379 2HB ASP 47 1HB ASP 47 1.661 16.489 2.212 380 H THR 48 H THR 48 -1.179 13.921 0.260 381 HA THR 48 HA THR 48 -1.905 15.980 -1.579 382 HB THR 48 HB THR 48 -2.682 13.793 -2.078 383 HG1 THR 48 1HG THR 48 -4.793 14.226 -2.417 384 1HG2 THR 48 1HG2 THR 48 -3.355 12.313 -0.585 385 2HG2 THR 48 2HG2 THR 48 -4.658 13.376 -0.057 386 3HG2 THR 48 3HG2 THR 48 -3.062 13.508 0.679 387 H LEU 49 H LEU 49 -2.519 17.993 -0.975 388 HA LEU 49 HA LEU 49 -4.543 18.039 1.172 389 1HB LEU 49 2HB LEU 49 -2.202 18.786 1.881 390 2HB LEU 49 1HB LEU 49 -2.501 20.208 0.921 391 HG LEU 49 HG LEU 49 -4.661 19.633 2.799 392 1HD1 LEU 49 1HD1 LEU 49 -3.049 20.710 4.626 393 2HD1 LEU 49 2HD1 LEU 49 -1.861 19.754 3.740 394 3HD1 LEU 49 3HD1 LEU 49 -3.269 18.968 4.454 395 1HD2 LEU 49 1HD2 LEU 49 -4.170 21.739 1.406 396 2HD2 LEU 49 2HD2 LEU 49 -2.980 22.108 2.652 397 3HD2 LEU 49 3HD2 LEU 49 -4.681 21.943 3.080 398 H THR 50 H THR 50 -5.672 20.275 1.217 399 HA THR 50 HA THR 50 -6.298 20.998 -1.567 400 HB THR 50 HB THR 50 -8.145 21.374 0.782 401 HG1 THR 50 1HG THR 50 -8.113 19.150 -0.970 402 1HG2 THR 50 1HG2 THR 50 -8.332 22.008 -1.972 403 2HG2 THR 50 2HG2 THR 50 -9.535 22.228 -0.701 404 3HG2 THR 50 3HG2 THR 50 -9.485 20.722 -1.618 405 H ASN 51 H ASN 51 -6.126 23.088 -2.179 406 HA ASN 51 HA ASN 51 -5.775 25.127 -0.102 407 1HB ASN 51 2HB ASN 51 -3.672 24.200 -1.573 408 2HB ASN 51 1HB ASN 51 -4.228 25.529 -2.582 409 1HD2 ASN 51 1HD2 ASN 51 -2.060 26.341 -2.004 410 2HD2 ASN 51 2HD2 ASN 51 -1.897 27.260 -0.551 411 H LEU 52 H LEU 52 -8.010 25.552 -0.544 412 HA LEU 52 HA LEU 52 -8.666 26.495 -3.201 413 1HB LEU 52 2HB LEU 52 -10.118 25.544 -0.891 414 2HB LEU 52 1HB LEU 52 -10.783 27.049 -1.468 415 HG LEU 52 HG LEU 52 -12.057 25.681 -2.731 416 1HD1 LEU 52 1HD1 LEU 52 -11.311 25.436 -4.937 417 2HD1 LEU 52 2HD1 LEU 52 -9.619 25.385 -4.440 418 3HD1 LEU 52 3HD1 LEU 52 -10.539 26.887 -4.296 419 1HD2 LEU 52 1HD2 LEU 52 -11.740 23.554 -2.082 420 2HD2 LEU 52 2HD2 LEU 52 -9.984 23.713 -2.062 421 3HD2 LEU 52 3HD2 LEU 52 -10.829 23.434 -3.586 422 H ARG 53 H ARG 53 -8.133 28.473 -3.768 423 HA ARG 53 HA ARG 53 -7.770 30.541 -1.793 424 1HB ARG 53 2HB ARG 53 -7.391 30.443 -4.766 425 2HB ARG 53 1HB ARG 53 -7.262 31.943 -3.869 426 1HG ARG 53 2HG ARG 53 -5.647 29.500 -3.203 427 2HG ARG 53 1HG ARG 53 -5.106 30.731 -4.345 428 1HD ARG 53 2HD ARG 53 -4.166 31.618 -2.488 429 2HD ARG 53 1HD ARG 53 -5.775 32.307 -2.286 430 HE ARG 53 HE ARG 53 -6.177 30.831 -0.540 431 1HH1 ARG 53 1HH1 ARG 53 -3.097 30.134 -2.039 432 2HH1 ARG 53 2HH1 ARG 53 -2.563 29.116 -0.745 433 1HH2 ARG 53 1HH2 ARG 53 -5.472 29.490 1.153 434 2HH2 ARG 53 2HH2 ARG 53 -3.909 28.746 1.063 435 H GLY 54 H GLY 54 -10.499 29.323 -2.740 436 1HA GLY 54 2HA GLY 54 -12.662 30.142 -2.710 437 2HA GLY 54 1HA GLY 54 -12.001 31.739 -2.393 438 H ILE 55 H ILE 55 -10.561 32.372 -4.384 439 HA ILE 55 HA ILE 55 -12.297 32.249 -6.738 440 HB ILE 55 HB ILE 55 -10.989 34.318 -7.455 441 1HG1 ILE 55 2HG1 ILE 55 -10.151 34.143 -4.558 442 2HG1 ILE 55 1HG1 ILE 55 -9.109 34.213 -5.970 443 1HG2 ILE 55 1HG2 ILE 55 -12.421 35.126 -5.021 444 2HG2 ILE 55 2HG2 ILE 55 -13.314 34.042 -6.087 445 3HG2 ILE 55 3HG2 ILE 55 -12.696 35.573 -6.705 446 1HD1 ILE 55 1HD1 ILE 55 -10.348 36.520 -6.303 447 2HD1 ILE 55 2HD1 ILE 55 -8.943 36.354 -5.249 448 3HD1 ILE 55 3HD1 ILE 55 -10.568 36.363 -4.561 449 H GLY 56 H GLY 56 -9.333 31.375 -5.377 450 1HA GLY 56 2HA GLY 56 -8.243 30.704 -8.047 451 2HA GLY 56 1HA GLY 56 -7.241 31.064 -6.647 452 H GLN 57 H GLN 57 -9.924 28.866 -7.480 453 HA GLN 57 HA GLN 57 -9.575 26.917 -5.663 454 1HB GLN 57 2HB GLN 57 -10.506 25.328 -7.316 455 2HB GLN 57 1HB GLN 57 -11.389 26.847 -7.247 456 1HG GLN 57 2HG GLN 57 -9.273 26.934 -9.213 457 2HG GLN 57 1HG GLN 57 -10.386 25.598 -9.506 458 1HE2 GLN 57 1HE2 GLN 57 -9.794 28.573 -10.459 459 2HE2 GLN 57 2HE2 GLN 57 -11.391 29.161 -10.758 460 H SER 58 H SER 58 -7.492 26.502 -5.034 461 HA SER 58 HA SER 58 -5.810 25.109 -7.010 462 1HB SER 58 2HB SER 58 -5.126 27.347 -5.617 463 2HB SER 58 1HB SER 58 -4.515 26.086 -4.546 464 HG SER 58 HG SER 58 -3.113 26.918 -6.346 465 H ASN 59 H ASN 59 -4.401 23.414 -6.100 466 HA ASN 59 HA ASN 59 -5.616 22.079 -3.778 467 1HB ASN 59 2HB ASN 59 -4.478 20.560 -6.118 468 2HB ASN 59 1HB ASN 59 -5.493 19.955 -4.810 469 1HD2 ASN 59 1HD2 ASN 59 -7.522 19.622 -5.318 470 2HD2 ASN 59 2HD2 ASN 59 -8.408 20.416 -6.571 471 H ASN 60 H ASN 60 -4.230 21.676 -2.204 472 HA ASN 60 HA ASN 60 -1.470 22.298 -2.488 473 1HB ASN 60 2HB ASN 60 -3.322 21.748 -0.341 474 2HB ASN 60 1HB ASN 60 -1.785 20.932 -0.080 475 1HD2 ASN 60 1HD2 ASN 60 -1.282 22.254 1.657 476 2HD2 ASN 60 2HD2 ASN 60 -0.795 23.898 1.451 477 HA PRO 61 HA PRO 61 1.107 18.806 -3.004 478 1HB PRO 61 2HB PRO 61 0.802 18.212 -0.069 479 2HB PRO 61 1HB PRO 61 2.225 17.992 -1.098 480 1HG PRO 61 2HG PRO 61 1.999 20.179 0.357 481 2HG PRO 61 1HG PRO 61 2.560 20.295 -1.323 482 1HD PRO 61 2HD PRO 61 -0.028 21.101 -0.143 483 2HD PRO 61 1HD PRO 61 0.786 21.715 -1.593 484 H LYS 62 H LYS 62 1.310 16.379 -2.560 485 HA LYS 62 HA LYS 62 -1.238 14.954 -2.786 486 1HB LYS 62 2HB LYS 62 1.223 14.783 -4.496 487 2HB LYS 62 1HB LYS 62 -0.041 13.584 -4.512 488 1HG LYS 62 2HG LYS 62 -1.569 15.004 -5.536 489 2HG LYS 62 1HG LYS 62 -0.713 16.449 -4.989 490 1HD LYS 62 2HD LYS 62 -0.215 16.373 -7.262 491 2HD LYS 62 1HD LYS 62 1.196 15.618 -6.517 492 1HE LYS 62 2HE LYS 62 0.814 13.681 -7.553 493 2HE LYS 62 1HE LYS 62 -0.882 13.681 -7.077 494 1HZ LYS 62 1HZ LYS 62 -1.522 14.569 -9.032 495 2HZ LYS 62 2HZ LYS 62 -0.078 13.892 -9.593 496 3HZ LYS 62 3HZ LYS 62 -0.143 15.534 -9.193 497 H GLN 63 H GLN 63 -1.200 12.936 -1.802 498 HA GLN 63 HA GLN 63 1.149 12.353 -0.288 499 1HB GLN 63 2HB GLN 63 -1.591 11.615 -0.182 500 2HB GLN 63 1HB GLN 63 -0.540 10.217 0.002 501 1HG GLN 63 2HG GLN 63 -0.645 12.712 1.654 502 2HG GLN 63 1HG GLN 63 -0.810 11.048 2.152 503 1HE2 GLN 63 1HE2 GLN 63 0.944 13.146 3.169 504 2HE2 GLN 63 2HE2 GLN 63 2.549 12.524 3.035 505 H SER 64 H SER 64 2.184 10.395 -0.211 506 HA SER 64 HA SER 64 3.602 9.769 -2.381 507 1HB SER 64 2HB SER 64 3.748 8.888 0.093 508 2HB SER 64 1HB SER 64 2.961 7.469 -0.594 509 HG SER 64 HG SER 64 4.705 7.588 -2.230 510 H SER 65 H SER 65 3.752 8.209 -3.904 511 HA SER 65 HA SER 65 1.240 6.891 -4.681 512 1HB SER 65 2HB SER 65 2.218 7.030 -7.041 513 2HB SER 65 1HB SER 65 1.671 8.547 -6.325 514 HG SER 65 HG SER 65 4.180 7.778 -7.080 515 H LYS 66 H LYS 66 4.536 6.528 -3.887 516 HA LYS 66 HA LYS 66 5.906 4.678 -4.905 517 1HB LYS 66 2HB LYS 66 6.181 5.240 -2.553 518 2HB LYS 66 1HB LYS 66 4.788 4.251 -2.133 519 1HG LYS 66 2HG LYS 66 7.042 2.958 -3.573 520 2HG LYS 66 1HG LYS 66 7.251 3.362 -1.868 521 1HD LYS 66 2HD LYS 66 5.000 2.181 -1.513 522 2HD LYS 66 1HD LYS 66 5.248 1.516 -3.129 523 1HE LYS 66 2HE LYS 66 7.537 1.303 -1.282 524 2HE LYS 66 1HE LYS 66 6.120 0.339 -0.865 525 1HZ LYS 66 1HZ LYS 66 7.755 -0.816 -2.304 526 2HZ LYS 66 2HZ LYS 66 7.417 0.296 -3.533 527 3HZ LYS 66 3HZ LYS 66 6.202 -0.737 -2.972 528 H TYR 67 H TYR 67 5.484 3.103 -6.307 529 HA TYR 67 HA TYR 67 3.085 1.657 -6.402 530 1HB TYR 67 2HB TYR 67 5.783 1.201 -7.646 531 2HB TYR 67 1HB TYR 67 4.475 0.031 -7.838 532 HD1 TYR 67 1HD TYR 67 5.571 3.458 -8.631 533 HD2 TYR 67 2HD TYR 67 2.603 0.475 -9.232 534 HE1 TYR 67 1HE TYR 67 4.646 4.763 -10.496 535 HE2 TYR 67 2HE TYR 67 1.667 1.767 -11.093 536 HH TYR 67 HH TYR 67 2.598 3.543 -12.758 537 H LEU 68 H LEU 68 2.402 0.434 -4.829 538 HA LEU 68 HA LEU 68 4.165 -1.019 -3.092 539 1HB LEU 68 2HB LEU 68 1.707 0.012 -2.750 540 2HB LEU 68 1HB LEU 68 1.264 -1.637 -3.153 541 HG LEU 68 HG LEU 68 2.649 -2.455 -1.286 542 1HD1 LEU 68 1HD1 LEU 68 3.420 0.382 -1.200 543 2HD1 LEU 68 2HD1 LEU 68 4.325 -1.058 -0.735 544 3HD1 LEU 68 3HD1 LEU 68 3.123 -0.378 0.364 545 1HD2 LEU 68 1HD2 LEU 68 1.148 -1.867 0.448 546 2HD2 LEU 68 2HD2 LEU 68 0.216 -1.852 -1.048 547 3HD2 LEU 68 3HD2 LEU 68 0.746 -0.334 -0.325 548 H THR 69 H THR 69 5.195 -2.728 -3.929 549 HA THR 69 HA THR 69 3.782 -4.471 -5.794 550 HB THR 69 HB THR 69 6.114 -5.598 -5.872 551 HG1 THR 69 1HG THR 69 7.782 -4.430 -5.094 552 1HG2 THR 69 1HG2 THR 69 5.323 -3.013 -7.041 553 2HG2 THR 69 2HG2 THR 69 5.831 -4.512 -7.820 554 3HG2 THR 69 3HG2 THR 69 7.034 -3.429 -7.122 555 H TRP 70 H TRP 70 2.453 -5.762 -4.649 556 HA TRP 70 HA TRP 70 3.583 -7.287 -2.406 557 1HB TRP 70 2HB TRP 70 1.362 -5.823 -2.280 558 2HB TRP 70 1HB TRP 70 0.662 -7.275 -2.985 559 HD1 TRP 70 HD TRP 70 3.462 -7.983 -0.589 560 HE1 TRP 70 1HE TRP 70 2.497 -8.912 1.608 561 HE3 TRP 70 3HE TRP 70 -1.491 -6.994 -1.388 562 HZ2 TRP 70 2HZ TRP 70 -0.018 -9.182 2.842 563 HZ3 TRP 70 3HZ TRP 70 -3.112 -7.621 0.353 564 HH2 TRP 70 HH TRP 70 -2.388 -8.693 2.425 565 H ARG 71 H ARG 71 4.195 -9.245 -2.942 566 HA ARG 71 HA ARG 71 2.540 -10.782 -4.771 567 1HB ARG 71 2HB ARG 71 5.534 -10.525 -4.976 568 2HB ARG 71 1HB ARG 71 4.540 -11.603 -5.937 569 1HG ARG 71 2HG ARG 71 4.058 -10.002 -7.390 570 2HG ARG 71 1HG ARG 71 3.581 -8.893 -6.105 571 1HD ARG 71 2HD ARG 71 6.369 -9.388 -7.134 572 2HD ARG 71 1HD ARG 71 5.402 -7.932 -7.355 573 HE ARG 71 HE ARG 71 5.573 -8.117 -4.666 574 1HH1 ARG 71 1HH1 ARG 71 7.971 -8.245 -7.206 575 2HH1 ARG 71 2HH1 ARG 71 9.232 -7.589 -6.216 576 1HH2 ARG 71 1HH2 ARG 71 7.232 -7.260 -3.371 577 2HH2 ARG 71 2HH2 ARG 71 8.811 -7.024 -4.045 578 H ASP 72 H ASP 72 2.710 -13.067 -4.518 579 HA ASP 72 HA ASP 72 3.328 -13.820 -1.809 580 1HB ASP 72 2HB ASP 72 2.749 -16.017 -3.678 581 2HB ASP 72 1HB ASP 72 1.985 -15.614 -2.150 582 H LYS 73 H LYS 73 4.625 -15.782 -1.357 583 HA LYS 73 HA LYS 73 7.254 -15.521 -1.894 584 1HB LYS 73 2HB LYS 73 7.447 -18.014 -1.429 585 2HB LYS 73 1HB LYS 73 6.631 -17.045 -0.209 586 1HG LYS 73 2HG LYS 73 5.160 -18.758 -0.326 587 2HG LYS 73 1HG LYS 73 4.500 -17.764 -1.628 588 1HD LYS 73 2HD LYS 73 5.647 -19.070 -3.283 589 2HD LYS 73 1HD LYS 73 6.515 -19.970 -2.038 590 1HE LYS 73 2HE LYS 73 4.887 -21.488 -2.223 591 2HE LYS 73 1HE LYS 73 3.885 -20.339 -1.337 592 1HZ LYS 73 1HZ LYS 73 3.568 -19.404 -3.780 593 2HZ LYS 73 2HZ LYS 73 2.581 -20.623 -3.145 594 3HZ LYS 73 3HZ LYS 73 3.866 -21.025 -4.170 595 H GLU 74 H GLU 74 4.898 -16.905 -4.049 596 HA GLU 74 HA GLU 74 6.812 -18.186 -5.747 597 1HB GLU 74 2HB GLU 74 4.286 -18.690 -5.503 598 2HB GLU 74 1HB GLU 74 4.062 -17.354 -6.622 599 1HG GLU 74 2HG GLU 74 4.052 -19.430 -7.828 600 2HG GLU 74 1HG GLU 74 5.494 -18.508 -8.254 601 H ASN 75 H ASN 75 6.538 -15.060 -5.096 602 HA ASN 75 HA ASN 75 7.315 -13.180 -6.077 603 1HB ASN 75 2HB ASN 75 9.013 -14.757 -7.073 604 2HB ASN 75 1HB ASN 75 7.982 -14.859 -8.498 605 1HD2 ASN 75 1HD2 ASN 75 9.681 -13.993 -9.742 606 2HD2 ASN 75 2HD2 ASN 75 10.038 -12.303 -9.715 607 H ASN 76 H ASN 76 4.584 -13.629 -6.176 608 HA ASN 76 HA ASN 76 3.825 -11.824 -8.205 609 1HB ASN 76 2HB ASN 76 2.782 -13.109 -9.852 610 2HB ASN 76 1HB ASN 76 4.276 -13.983 -9.535 611 1HD2 ASN 76 1HD2 ASN 76 3.804 -15.454 -7.387 612 2HD2 ASN 76 2HD2 ASN 76 2.486 -16.540 -7.636 613 H SER 77 H SER 77 1.755 -11.059 -8.017 614 HA SER 77 HA SER 77 -0.434 -12.303 -6.892 615 1HB SER 77 2HB SER 77 1.192 -12.124 -4.839 616 2HB SER 77 1HB SER 77 0.618 -10.460 -4.791 617 HG SER 77 HG SER 77 -0.952 -12.817 -4.657 618 H GLY 78 H GLY 78 1.209 -9.130 -6.720 619 1HA GLY 78 2HA GLY 78 -0.429 -7.788 -8.499 620 2HA GLY 78 1HA GLY 78 -1.224 -7.661 -6.938 621 H LEU 79 H LEU 79 0.237 -5.691 -8.794 622 HA LEU 79 HA LEU 79 1.496 -4.238 -6.636 623 1HB LEU 79 2HB LEU 79 3.648 -3.975 -7.683 624 2HB LEU 79 1HB LEU 79 3.316 -5.677 -7.426 625 HG LEU 79 HG LEU 79 2.419 -5.033 -10.042 626 1HD1 LEU 79 1HD1 LEU 79 5.033 -4.541 -10.661 627 2HD1 LEU 79 2HD1 LEU 79 4.800 -3.550 -9.221 628 3HD1 LEU 79 3HD1 LEU 79 3.749 -3.331 -10.622 629 1HD2 LEU 79 1HD2 LEU 79 4.979 -6.467 -9.509 630 2HD2 LEU 79 2HD2 LEU 79 3.679 -6.860 -10.635 631 3HD2 LEU 79 3HD2 LEU 79 3.468 -7.151 -8.909 632 H ILE 80 H ILE 80 1.004 -2.145 -6.826 633 HA ILE 80 HA ILE 80 1.078 -0.804 -9.373 634 HB ILE 80 HB ILE 80 -1.211 0.048 -9.324 635 1HG1 ILE 80 2HG1 ILE 80 -2.365 -2.033 -7.674 636 2HG1 ILE 80 1HG1 ILE 80 -1.263 -1.025 -6.742 637 1HG2 ILE 80 1HG2 ILE 80 -2.234 -1.821 -10.345 638 2HG2 ILE 80 2HG2 ILE 80 -1.279 -2.955 -9.391 639 3HG2 ILE 80 3HG2 ILE 80 -0.504 -1.986 -10.644 640 1HD1 ILE 80 1HD1 ILE 80 -3.798 -0.418 -6.977 641 2HD1 ILE 80 2HD1 ILE 80 -3.260 0.297 -8.497 642 3HD1 ILE 80 3HD1 ILE 80 -2.559 0.836 -6.970 643 H LYS 81 H LYS 81 0.086 1.555 -9.025 644 HA LYS 81 HA LYS 81 1.514 2.609 -6.722 645 1HB LYS 81 2HB LYS 81 1.014 4.831 -7.830 646 2HB LYS 81 1HB LYS 81 2.052 3.728 -8.720 647 1HG LYS 81 2HG LYS 81 0.290 3.140 -10.206 648 2HG LYS 81 1HG LYS 81 -0.902 3.982 -9.215 649 1HD LYS 81 2HD LYS 81 1.430 5.391 -10.492 650 2HD LYS 81 1HD LYS 81 -0.118 5.179 -11.313 651 1HE LYS 81 2HE LYS 81 -0.516 6.188 -8.645 652 2HE LYS 81 1HE LYS 81 0.607 7.216 -9.533 653 1HZ LYS 81 1HZ LYS 81 -0.983 7.860 -10.982 654 2HZ LYS 81 2HZ LYS 81 -2.011 7.495 -9.688 655 3HZ LYS 81 3HZ LYS 81 -1.803 6.380 -10.943 656 HA PRO 82 HA PRO 82 -2.487 3.367 -4.774 657 1HB PRO 82 2HB PRO 82 -1.600 2.897 -2.248 658 2HB PRO 82 1HB PRO 82 -2.046 1.608 -3.367 659 1HG PRO 82 2HG PRO 82 0.577 2.291 -2.348 660 2HG PRO 82 1HG PRO 82 0.097 0.898 -3.326 661 1HD PRO 82 2HD PRO 82 1.343 3.427 -4.166 662 2HD PRO 82 1HD PRO 82 1.261 1.872 -5.017 663 H PHE 83 H PHE 83 -2.968 4.651 -2.629 664 HA PHE 83 HA PHE 83 -1.423 7.158 -2.794 665 1HB PHE 83 2HB PHE 83 -4.259 6.609 -2.803 666 2HB PHE 83 1HB PHE 83 -3.849 7.654 -1.447 667 HD1 PHE 83 1HD PHE 83 -2.494 9.757 -1.946 668 HD2 PHE 83 2HD PHE 83 -4.468 7.476 -4.948 669 HE1 PHE 83 1HE PHE 83 -2.421 11.693 -3.461 670 HE2 PHE 83 2HE PHE 83 -4.400 9.410 -6.469 671 HZ PHE 83 HZ PHE 83 -3.373 11.523 -5.724 672 H VAL 84 H VAL 84 -0.175 7.612 -1.068 673 HA VAL 84 HA VAL 84 -0.849 6.349 1.487 674 HB VAL 84 HB VAL 84 1.852 7.408 0.714 675 1HG1 VAL 84 1HG1 VAL 84 2.658 6.410 2.556 676 2HG1 VAL 84 2HG1 VAL 84 1.486 5.094 2.498 677 3HG1 VAL 84 3HG1 VAL 84 1.004 6.679 3.104 678 1HG2 VAL 84 1HG2 VAL 84 2.112 4.704 0.473 679 2HG2 VAL 84 2HG2 VAL 84 1.966 5.838 -0.869 680 3HG2 VAL 84 3HG2 VAL 84 0.538 4.998 -0.268 681 H ILE 85 H ILE 85 -1.748 7.761 2.804 682 HA ILE 85 HA ILE 85 -0.668 10.453 3.082 683 HB ILE 85 HB ILE 85 -3.285 10.371 4.132 684 1HG1 ILE 85 2HG1 ILE 85 -3.583 8.393 2.619 685 2HG1 ILE 85 1HG1 ILE 85 -4.715 9.713 2.356 686 1HG2 ILE 85 1HG2 ILE 85 -2.602 11.717 1.519 687 2HG2 ILE 85 2HG2 ILE 85 -1.984 12.315 3.057 688 3HG2 ILE 85 3HG2 ILE 85 -3.721 12.249 2.774 689 1HD1 ILE 85 1HD1 ILE 85 -3.560 8.500 0.354 690 2HD1 ILE 85 2HD1 ILE 85 -2.240 9.606 0.722 691 3HD1 ILE 85 3HD1 ILE 85 -3.832 10.241 0.319 692 HA PRO 86 HA PRO 86 -0.066 9.245 7.281 693 1HB PRO 86 2HB PRO 86 0.359 11.625 8.430 694 2HB PRO 86 1HB PRO 86 1.495 10.954 7.254 695 1HG PRO 86 2HG PRO 86 -0.578 13.071 6.896 696 2HG PRO 86 1HG PRO 86 1.054 12.971 6.214 697 1HD PRO 86 2HD PRO 86 -1.283 12.290 4.879 698 2HD PRO 86 1HD PRO 86 0.342 11.747 4.432 699 H ASN 87 H ASN 87 -2.825 9.301 6.555 700 HA ASN 87 HA ASN 87 -3.960 10.360 9.037 701 1HB ASN 87 2HB ASN 87 -4.563 11.394 6.611 702 2HB ASN 87 1HB ASN 87 -5.794 10.141 6.733 703 1HD2 ASN 87 1HD2 ASN 87 -5.385 13.272 7.153 704 2HD2 ASN 87 2HD2 ASN 87 -6.453 13.575 8.477 705 H LEU 88 H LEU 88 -3.263 7.599 7.402 706 HA LEU 88 HA LEU 88 -3.849 5.430 7.729 707 1HB LEU 88 2HB LEU 88 -4.000 6.124 10.115 708 2HB LEU 88 1HB LEU 88 -5.694 6.487 9.871 709 HG LEU 88 HG LEU 88 -4.904 4.209 10.939 710 1HD1 LEU 88 1HD1 LEU 88 -7.072 3.909 8.933 711 2HD1 LEU 88 2HD1 LEU 88 -7.239 5.147 10.175 712 3HD1 LEU 88 3HD1 LEU 88 -7.032 3.457 10.635 713 1HD2 LEU 88 1HD2 LEU 88 -4.374 2.488 9.543 714 2HD2 LEU 88 2HD2 LEU 88 -3.632 3.820 8.661 715 3HD2 LEU 88 3HD2 LEU 88 -5.204 3.202 8.161 716 HA PRO 89 HA PRO 89 -7.661 6.040 5.218 717 1HB PRO 89 2HB PRO 89 -6.352 4.524 3.137 718 2HB PRO 89 1HB PRO 89 -6.843 6.218 3.117 719 1HG PRO 89 2HG PRO 89 -4.234 5.387 3.116 720 2HG PRO 89 1HG PRO 89 -4.774 6.955 3.737 721 1HD PRO 89 2HD PRO 89 -4.106 4.447 5.228 722 2HD PRO 89 1HD PRO 89 -3.727 6.134 5.628 723 H VAL 90 H VAL 90 -6.635 3.779 7.082 724 HA VAL 90 HA VAL 90 -7.570 1.829 7.809 725 HB VAL 90 HB VAL 90 -9.146 1.849 5.251 726 1HG1 VAL 90 1HG1 VAL 90 -9.711 -0.219 5.873 727 2HG1 VAL 90 2HG1 VAL 90 -10.591 0.524 7.209 728 3HG1 VAL 90 3HG1 VAL 90 -8.934 -0.034 7.444 729 1HG2 VAL 90 1HG2 VAL 90 -10.501 3.386 6.115 730 2HG2 VAL 90 2HG2 VAL 90 -9.324 3.615 7.410 731 3HG2 VAL 90 3HG2 VAL 90 -10.658 2.478 7.618 732 H ASN 91 H ASN 91 -5.596 2.291 5.274 733 HA ASN 91 HA ASN 91 -4.174 1.007 4.054 734 1HB ASN 91 2HB ASN 91 -3.612 0.258 6.374 735 2HB ASN 91 1HB ASN 91 -4.726 -1.088 6.164 736 1HD2 ASN 91 1HD2 ASN 91 -1.579 -0.229 6.038 737 2HD2 ASN 91 2HD2 ASN 91 -0.983 -1.441 4.963 738 H LEU 92 H LEU 92 -6.156 1.024 2.545 739 HA LEU 92 HA LEU 92 -7.307 -1.641 2.181 740 1HB LEU 92 2HB LEU 92 -7.971 1.089 1.177 741 2HB LEU 92 1HB LEU 92 -8.392 -0.278 0.170 742 HG LEU 92 HG LEU 92 -10.275 0.412 1.566 743 1HD1 LEU 92 1HD1 LEU 92 -10.978 -1.709 1.835 744 2HD1 LEU 92 2HD1 LEU 92 -9.579 -2.160 2.809 745 3HD1 LEU 92 3HD1 LEU 92 -9.448 -2.108 1.051 746 1HD2 LEU 92 1HD2 LEU 92 -9.032 -0.622 4.032 747 2HD2 LEU 92 2HD2 LEU 92 -10.200 0.679 3.806 748 3HD2 LEU 92 3HD2 LEU 92 -8.490 0.966 3.490 749 H TRP 93 H TRP 93 -7.342 -2.601 0.085 750 HA TRP 93 HA TRP 93 -4.942 -1.966 -1.497 751 1HB TRP 93 2HB TRP 93 -5.603 -4.374 -0.221 752 2HB TRP 93 1HB TRP 93 -5.963 -4.649 -1.922 753 HD1 TRP 93 HD TRP 93 -3.950 -4.890 -3.567 754 HE1 TRP 93 1HE TRP 93 -1.399 -5.008 -3.259 755 HE3 TRP 93 3HE TRP 93 -3.663 -3.411 1.313 756 HZ2 TRP 93 2HZ TRP 93 0.482 -4.529 -1.215 757 HZ3 TRP 93 3HZ TRP 93 -1.445 -3.265 2.371 758 HH2 TRP 93 HH TRP 93 0.583 -3.815 1.133 759 H GLY 94 H GLY 94 -5.233 -2.895 -3.805 760 1HA GLY 94 2HA GLY 94 -7.793 -1.822 -4.743 761 2HA GLY 94 1HA GLY 94 -6.322 -1.961 -5.685 762 H ARG 95 H ARG 95 -9.260 -2.983 -5.823 763 HA ARG 95 HA ARG 95 -9.441 -5.712 -5.658 764 1HB ARG 95 2HB ARG 95 -11.088 -5.547 -7.556 765 2HB ARG 95 1HB ARG 95 -11.382 -4.472 -6.196 766 1HG ARG 95 2HG ARG 95 -9.769 -3.015 -7.944 767 2HG ARG 95 1HG ARG 95 -10.944 -3.844 -8.967 768 1HD ARG 95 2HD ARG 95 -11.511 -2.035 -6.626 769 2HD ARG 95 1HD ARG 95 -11.849 -1.718 -8.324 770 HE ARG 95 HE ARG 95 -13.453 -3.225 -6.509 771 1HH1 ARG 95 1HH1 ARG 95 -12.544 -2.920 -9.865 772 2HH1 ARG 95 2HH1 ARG 95 -14.003 -3.642 -10.455 773 1HH2 ARG 95 1HH2 ARG 95 -15.370 -4.177 -7.282 774 2HH2 ARG 95 2HH2 ARG 95 -15.609 -4.355 -8.988 775 H ASP 96 H ASP 96 -7.620 -3.881 -7.980 776 HA ASP 96 HA ASP 96 -7.406 -5.861 -9.982 777 1HB ASP 96 2HB ASP 96 -5.970 -3.358 -9.286 778 2HB ASP 96 1HB ASP 96 -5.098 -4.509 -10.295 779 H LEU 97 H LEU 97 -5.474 -5.135 -7.114 780 HA LEU 97 HA LEU 97 -3.564 -7.216 -7.668 781 1HB LEU 97 2HB LEU 97 -3.966 -5.736 -5.081 782 2HB LEU 97 1HB LEU 97 -2.546 -6.632 -5.576 783 HG LEU 97 HG LEU 97 -2.581 -4.873 -7.567 784 1HD1 LEU 97 1HD1 LEU 97 -4.145 -3.324 -7.290 785 2HD1 LEU 97 2HD1 LEU 97 -3.171 -2.714 -5.951 786 3HD1 LEU 97 3HD1 LEU 97 -4.487 -3.848 -5.641 787 1HD2 LEU 97 1HD2 LEU 97 -1.566 -3.828 -4.973 788 2HD2 LEU 97 2HD2 LEU 97 -0.779 -3.899 -6.551 789 3HD2 LEU 97 3HD2 LEU 97 -0.932 -5.360 -5.574 790 H LEU 98 H LEU 98 -6.567 -6.955 -5.938 791 HA LEU 98 HA LEU 98 -6.134 -9.325 -4.365 792 1HB LEU 98 2HB LEU 98 -8.593 -7.668 -4.924 793 2HB LEU 98 1HB LEU 98 -8.639 -9.132 -3.961 794 HG LEU 98 HG LEU 98 -8.482 -7.548 -2.312 795 1HD1 LEU 98 1HD1 LEU 98 -6.422 -9.127 -2.405 796 2HD1 LEU 98 2HD1 LEU 98 -6.437 -7.769 -1.278 797 3HD1 LEU 98 3HD1 LEU 98 -5.542 -7.648 -2.793 798 1HD2 LEU 98 1HD2 LEU 98 -8.088 -5.766 -4.190 799 2HD2 LEU 98 2HD2 LEU 98 -6.416 -5.878 -3.645 800 3HD2 LEU 98 3HD2 LEU 98 -7.685 -5.415 -2.511 801 H SER 99 H SER 99 -7.896 -8.471 -7.305 802 HA SER 99 HA SER 99 -9.065 -10.958 -7.832 803 1HB SER 99 2HB SER 99 -8.396 -8.540 -9.415 804 2HB SER 99 1HB SER 99 -8.619 -10.029 -10.333 805 HG SER 99 HG SER 99 -10.478 -9.080 -8.414 806 H GLN 100 H GLN 100 -5.949 -9.592 -8.799 807 HA GLN 100 HA GLN 100 -5.055 -11.910 -10.195 808 1HB GLN 100 2HB GLN 100 -3.650 -9.515 -9.040 809 2HB GLN 100 1HB GLN 100 -2.785 -10.788 -9.887 810 1HG GLN 100 2HG GLN 100 -3.620 -10.197 -11.924 811 2HG GLN 100 1HG GLN 100 -5.106 -9.534 -11.246 812 1HE2 GLN 100 1HE2 GLN 100 -1.624 -8.920 -10.900 813 2HE2 GLN 100 2HE2 GLN 100 -1.732 -7.209 -11.114 814 H MET 101 H MET 101 -4.547 -10.608 -6.944 815 HA MET 101 HA MET 101 -2.668 -12.152 -5.819 816 1HB MET 101 2HB MET 101 -4.918 -10.706 -4.875 817 2HB MET 101 1HB MET 101 -4.895 -12.234 -4.017 818 1HG MET 101 2HG MET 101 -2.726 -11.829 -3.162 819 2HG MET 101 1HG MET 101 -2.489 -10.451 -4.236 820 1HE MET 101 1HE MET 101 -3.377 -8.161 -3.933 821 2HE MET 101 2HE MET 101 -2.086 -8.360 -2.748 822 3HE MET 101 3HE MET 101 -3.577 -7.533 -2.297 823 H LYS 102 H LYS 102 -6.082 -13.188 -5.747 824 HA LYS 102 HA LYS 102 -5.607 -15.792 -6.670 825 1HB LYS 102 2HB LYS 102 -4.397 -15.816 -4.409 826 2HB LYS 102 1HB LYS 102 -5.997 -15.756 -3.684 827 1HG LYS 102 2HG LYS 102 -6.486 -17.894 -4.245 828 2HG LYS 102 1HG LYS 102 -5.535 -17.837 -5.731 829 1HD LYS 102 2HD LYS 102 -4.162 -19.182 -4.523 830 2HD LYS 102 1HD LYS 102 -3.549 -17.626 -3.955 831 1HE LYS 102 2HE LYS 102 -4.060 -18.214 -1.877 832 2HE LYS 102 1HE LYS 102 -5.762 -18.271 -2.331 833 1HZ LYS 102 1HZ LYS 102 -3.884 -20.437 -1.917 834 2HZ LYS 102 2HZ LYS 102 -4.897 -20.620 -3.259 835 3HZ LYS 102 3HZ LYS 102 -5.565 -20.407 -1.720 836 H ILE 103 H ILE 103 -7.556 -13.680 -6.930 837 HA ILE 103 HA ILE 103 -9.947 -15.066 -5.883 838 HB ILE 103 HB ILE 103 -9.819 -12.178 -6.731 839 1HG1 ILE 103 2HG1 ILE 103 -8.367 -12.635 -4.761 840 2HG1 ILE 103 1HG1 ILE 103 -9.733 -11.588 -4.382 841 1HG2 ILE 103 1HG2 ILE 103 -12.035 -12.988 -6.882 842 2HG2 ILE 103 2HG2 ILE 103 -11.937 -12.089 -5.368 843 3HG2 ILE 103 3HG2 ILE 103 -11.898 -13.852 -5.350 844 1HD1 ILE 103 1HD1 ILE 103 -9.241 -13.323 -2.672 845 2HD1 ILE 103 2HD1 ILE 103 -9.695 -14.547 -3.858 846 3HD1 ILE 103 3HD1 ILE 103 -10.887 -13.371 -3.304 847 H MET 104 H MET 104 -9.280 -12.784 -8.546 848 HA MET 104 HA MET 104 -11.266 -13.896 -10.230 849 1HB MET 104 2HB MET 104 -10.441 -11.569 -10.420 850 2HB MET 104 1HB MET 104 -8.893 -12.181 -10.987 851 1HG MET 104 2HG MET 104 -10.499 -13.382 -12.752 852 2HG MET 104 1HG MET 104 -11.482 -11.963 -12.388 853 1HE MET 104 1HE MET 104 -7.372 -11.920 -12.493 854 2HE MET 104 2HE MET 104 -7.295 -12.015 -14.252 855 3HE MET 104 3HE MET 104 -8.074 -13.303 -13.331 856 H MET 105 H MET 105 -11.165 -15.400 -11.821 857 HA MET 105 HA MET 105 -9.165 -17.371 -11.731 858 1HB MET 105 2HB MET 105 -10.252 -18.230 -13.821 859 2HB MET 105 1HB MET 105 -11.356 -17.970 -12.476 860 1HG MET 105 2HG MET 105 -12.534 -16.438 -13.585 861 2HG MET 105 1HG MET 105 -11.090 -15.649 -14.218 862 1HE MET 105 1HE MET 105 -12.357 -19.410 -14.646 863 2HE MET 105 2HE MET 105 -13.265 -19.224 -16.147 864 3HE MET 105 3HE MET 105 -13.783 -18.372 -14.691 865 H ALA 106 H ALA 106 -7.117 -16.656 -12.123 866 HA ALA 106 HA ALA 106 -6.545 -15.063 -14.482 867 1HB ALA 106 1HB ALA 106 -4.246 -15.024 -13.647 868 2HB ALA 106 2HB ALA 106 -4.688 -16.162 -12.372 869 3HB ALA 106 3HB ALA 106 -5.393 -14.545 -12.396 870 H SER 107 H SER 107 -5.779 -15.810 -16.360 871 HA SER 107 HA SER 107 -4.916 -18.625 -16.479 872 1HB SER 107 2HB SER 107 -7.181 -17.663 -17.648 873 2HB SER 107 1HB SER 107 -6.016 -17.454 -18.956 874 HG SER 107 HG SER 107 -5.882 -19.552 -19.175 Start of MODEL 7 1 1H TRP 1 1HT TRP 1 7.733 -14.242 6.403 2 2H TRP 1 2HT TRP 1 9.014 -15.038 7.220 3 3H TRP 1 3HT TRP 1 7.422 -15.092 7.859 4 HA TRP 1 HA TRP 1 8.525 -16.426 5.499 5 1HB TRP 1 2HB TRP 1 8.036 -17.148 8.154 6 2HB TRP 1 1HB TRP 1 6.702 -17.861 7.252 7 HD1 TRP 1 HD TRP 1 10.344 -17.561 5.994 8 HE1 TRP 1 1HE TRP 1 11.230 -19.936 5.540 9 HE3 TRP 1 3HE TRP 1 6.357 -20.259 7.716 10 HZ2 TRP 1 2HZ TRP 1 10.354 -22.598 5.867 11 HZ3 TRP 1 3HZ TRP 1 6.461 -22.715 7.610 12 HH2 TRP 1 HH TRP 1 8.418 -23.859 6.703 13 H VAL 2 H VAL 2 6.470 -18.144 5.036 14 HA VAL 2 HA VAL 2 4.449 -16.360 3.886 15 HB VAL 2 HB VAL 2 3.854 -18.264 2.441 16 1HG1 VAL 2 1HG1 VAL 2 5.357 -16.898 1.366 17 2HG1 VAL 2 2HG1 VAL 2 6.220 -18.435 1.338 18 3HG1 VAL 2 3HG1 VAL 2 6.641 -17.209 2.534 19 1HG2 VAL 2 1HG2 VAL 2 6.247 -19.819 3.150 20 2HG2 VAL 2 2HG2 VAL 2 4.631 -20.362 2.694 21 3HG2 VAL 2 3HG2 VAL 2 4.953 -19.845 4.350 22 H GLN 3 H GLN 3 2.190 -17.030 3.894 23 HA GLN 3 HA GLN 3 1.421 -18.965 5.931 24 1HB GLN 3 2HB GLN 3 1.700 -16.475 6.818 25 2HB GLN 3 1HB GLN 3 0.093 -16.305 6.125 26 1HG GLN 3 2HG GLN 3 -0.241 -16.845 8.379 27 2HG GLN 3 1HG GLN 3 -0.566 -18.329 7.486 28 1HE2 GLN 3 1HE2 GLN 3 0.153 -20.025 8.537 29 2HE2 GLN 3 2HE2 GLN 3 1.625 -20.129 9.435 30 HA PRO 4 HA PRO 4 -1.279 -19.322 2.229 31 1HB PRO 4 2HB PRO 4 -1.826 -21.903 3.588 32 2HB PRO 4 1HB PRO 4 -1.396 -21.588 1.904 33 1HG PRO 4 2HG PRO 4 0.375 -22.648 3.593 34 2HG PRO 4 1HG PRO 4 0.872 -21.464 2.368 35 1HD PRO 4 2HD PRO 4 0.424 -21.085 5.303 36 2HD PRO 4 1HD PRO 4 1.684 -20.397 4.257 37 H ILE 5 H ILE 5 -2.821 -17.824 2.855 38 HA ILE 5 HA ILE 5 -4.517 -18.153 5.110 39 HB ILE 5 HB ILE 5 -4.120 -15.942 4.218 40 1HG1 ILE 5 2HG1 ILE 5 -6.413 -15.103 4.104 41 2HG1 ILE 5 1HG1 ILE 5 -7.009 -16.723 3.757 42 1HG2 ILE 5 1HG2 ILE 5 -5.104 -15.268 2.036 43 2HG2 ILE 5 2HG2 ILE 5 -5.450 -16.968 1.720 44 3HG2 ILE 5 3HG2 ILE 5 -3.782 -16.427 1.898 45 1HD1 ILE 5 1HD1 ILE 5 -5.790 -15.727 6.315 46 2HD1 ILE 5 2HD1 ILE 5 -6.130 -17.427 5.987 47 3HD1 ILE 5 3HD1 ILE 5 -7.448 -16.257 6.039 48 H THR 6 H THR 6 -6.329 -19.288 5.342 49 HA THR 6 HA THR 6 -7.310 -20.861 3.115 50 HB THR 6 HB THR 6 -8.873 -21.789 4.882 51 HG1 THR 6 1HG THR 6 -8.966 -20.782 6.699 52 1HG2 THR 6 1HG2 THR 6 -7.366 -23.297 5.598 53 2HG2 THR 6 2HG2 THR 6 -6.188 -22.070 6.060 54 3HG2 THR 6 3HG2 THR 6 -6.364 -22.530 4.367 55 H ALA 7 H ALA 7 -8.984 -20.335 1.871 56 HA ALA 7 HA ALA 7 -10.849 -19.305 1.071 57 1HB ALA 7 1HB ALA 7 -11.320 -19.470 3.956 58 2HB ALA 7 2HB ALA 7 -12.382 -19.873 2.606 59 3HB ALA 7 3HB ALA 7 -12.235 -18.199 3.143 60 H GLN 8 H GLN 8 -12.141 -17.027 1.480 61 HA GLN 8 HA GLN 8 -10.068 -15.029 1.077 62 1HB GLN 8 2HB GLN 8 -11.968 -13.579 0.375 63 2HB GLN 8 1HB GLN 8 -11.838 -15.067 -0.552 64 1HG GLN 8 2HG GLN 8 -13.547 -15.512 1.687 65 2HG GLN 8 1HG GLN 8 -14.069 -14.058 0.838 66 1HE2 GLN 8 1HE2 GLN 8 -14.074 -17.432 0.875 67 2HE2 GLN 8 2HE2 GLN 8 -14.790 -17.697 -0.675 68 H LYS 9 H LYS 9 -9.298 -13.994 2.776 69 HA LYS 9 HA LYS 9 -11.132 -12.743 4.647 70 1HB LYS 9 2HB LYS 9 -9.088 -14.803 5.449 71 2HB LYS 9 1HB LYS 9 -9.645 -13.573 6.575 72 1HG LYS 9 2HG LYS 9 -11.997 -14.390 6.055 73 2HG LYS 9 1HG LYS 9 -11.221 -15.779 5.293 74 1HD LYS 9 2HD LYS 9 -10.563 -14.944 8.103 75 2HD LYS 9 1HD LYS 9 -11.930 -16.002 7.747 76 1HE LYS 9 2HE LYS 9 -9.893 -17.152 6.316 77 2HE LYS 9 1HE LYS 9 -9.063 -16.571 7.759 78 1HZ LYS 9 1HZ LYS 9 -10.132 -18.036 9.072 79 2HZ LYS 9 2HZ LYS 9 -10.305 -18.911 7.634 80 3HZ LYS 9 3HZ LYS 9 -11.582 -17.956 8.202 81 HA PRO 10 HA PRO 10 -7.992 -9.641 4.644 82 1HB PRO 10 2HB PRO 10 -8.417 -8.755 7.313 83 2HB PRO 10 1HB PRO 10 -9.142 -8.119 5.841 84 1HG PRO 10 2HG PRO 10 -10.509 -9.449 7.860 85 2HG PRO 10 1HG PRO 10 -11.095 -9.215 6.205 86 1HD PRO 10 2HD PRO 10 -9.831 -11.615 7.451 87 2HD PRO 10 1HD PRO 10 -11.119 -11.519 6.230 88 H SER 11 H SER 11 -6.782 -12.104 5.182 89 HA SER 11 HA SER 11 -4.528 -11.218 6.762 90 1HB SER 11 2HB SER 11 -4.598 -13.511 8.006 91 2HB SER 11 1HB SER 11 -5.598 -12.184 8.597 92 HG SER 11 HG SER 11 -6.427 -14.547 7.969 93 H LEU 12 H LEU 12 -3.000 -11.506 5.254 94 HA LEU 12 HA LEU 12 -2.481 -14.193 4.309 95 1HB LEU 12 2HB LEU 12 -3.960 -13.381 2.579 96 2HB LEU 12 1HB LEU 12 -3.033 -11.902 2.430 97 HG LEU 12 HG LEU 12 -1.275 -12.960 1.311 98 1HD1 LEU 12 1HD1 LEU 12 -1.639 -15.642 1.119 99 2HD1 LEU 12 2HD1 LEU 12 -2.190 -15.331 2.766 100 3HD1 LEU 12 3HD1 LEU 12 -0.565 -14.849 2.273 101 1HD2 LEU 12 1HD2 LEU 12 -3.472 -14.662 0.243 102 2HD2 LEU 12 2HD2 LEU 12 -2.272 -13.694 -0.615 103 3HD2 LEU 12 3HD2 LEU 12 -3.639 -12.907 0.175 104 H THR 13 H THR 13 -0.347 -14.575 4.218 105 HA THR 13 HA THR 13 1.435 -12.293 4.642 106 HB THR 13 HB THR 13 2.109 -15.223 4.895 107 HG1 THR 13 1HG THR 13 1.216 -13.431 6.904 108 1HG2 THR 13 1HG2 THR 13 4.067 -13.825 4.800 109 2HG2 THR 13 2HG2 THR 13 3.836 -14.423 6.443 110 3HG2 THR 13 3HG2 THR 13 3.402 -12.761 6.041 111 H LEU 14 H LEU 14 2.362 -11.465 2.937 112 HA LEU 14 HA LEU 14 3.525 -13.240 0.914 113 1HB LEU 14 2HB LEU 14 2.077 -10.689 0.224 114 2HB LEU 14 1HB LEU 14 2.810 -11.814 -0.895 115 HG LEU 14 HG LEU 14 0.333 -12.237 0.770 116 1HD1 LEU 14 1HD1 LEU 14 0.482 -10.938 -1.543 117 2HD1 LEU 14 2HD1 LEU 14 -0.882 -11.976 -1.127 118 3HD1 LEU 14 3HD1 LEU 14 0.404 -12.585 -2.168 119 1HD2 LEU 14 1HD2 LEU 14 2.179 -14.186 -0.258 120 2HD2 LEU 14 2HD2 LEU 14 0.605 -14.350 -1.032 121 3HD2 LEU 14 3HD2 LEU 14 0.732 -14.414 0.725 122 H TRP 15 H TRP 15 5.070 -11.868 -0.524 123 HA TRP 15 HA TRP 15 6.546 -10.181 1.346 124 1HB TRP 15 2HB TRP 15 8.523 -10.800 0.351 125 2HB TRP 15 1HB TRP 15 7.564 -12.257 0.199 126 HD1 TRP 15 HD TRP 15 6.192 -10.376 -2.549 127 HE1 TRP 15 1HE TRP 15 7.484 -10.810 -4.726 128 HE3 TRP 15 3HE TRP 15 10.439 -12.504 -0.630 129 HZ2 TRP 15 2HZ TRP 15 9.926 -11.901 -5.549 130 HZ3 TRP 15 3HZ TRP 15 12.192 -13.219 -2.194 131 HH2 TRP 15 HH TRP 15 11.944 -12.926 -4.599 132 H LEU 16 H LEU 16 7.510 -8.273 0.731 133 HA LEU 16 HA LEU 16 6.565 -6.993 -1.706 134 1HB LEU 16 2HB LEU 16 5.813 -4.998 -0.473 135 2HB LEU 16 1HB LEU 16 4.857 -6.419 -0.098 136 HG LEU 16 HG LEU 16 7.137 -5.685 1.691 137 1HD1 LEU 16 1HD1 LEU 16 4.388 -4.450 1.809 138 2HD1 LEU 16 2HD1 LEU 16 5.880 -3.609 1.384 139 3HD1 LEU 16 3HD1 LEU 16 5.669 -4.262 3.009 140 1HD2 LEU 16 1HD2 LEU 16 6.298 -7.603 2.529 141 2HD2 LEU 16 2HD2 LEU 16 4.726 -7.378 1.763 142 3HD2 LEU 16 3HD2 LEU 16 5.110 -6.519 3.254 143 H ASP 17 H ASP 17 8.028 -5.609 -2.570 144 HA ASP 17 HA ASP 17 10.049 -4.622 -2.922 145 1HB ASP 17 2HB ASP 17 9.595 -3.937 -0.016 146 2HB ASP 17 1HB ASP 17 10.957 -3.311 -0.940 147 H ASP 18 H ASP 18 10.057 -7.413 -2.303 148 HA ASP 18 HA ASP 18 11.575 -9.080 -2.003 149 1HB ASP 18 2HB ASP 18 13.217 -6.710 -2.350 150 2HB ASP 18 1HB ASP 18 13.990 -7.872 -1.278 151 H LYS 19 H LYS 19 9.958 -8.252 0.134 152 HA LYS 19 HA LYS 19 11.481 -9.344 2.335 153 1HB LYS 19 2HB LYS 19 11.404 -6.603 2.139 154 2HB LYS 19 1HB LYS 19 10.045 -6.939 3.205 155 1HG LYS 19 2HG LYS 19 11.378 -7.790 4.867 156 2HG LYS 19 1HG LYS 19 12.668 -8.237 3.748 157 1HD LYS 19 2HD LYS 19 13.540 -6.399 4.893 158 2HD LYS 19 1HD LYS 19 12.951 -5.709 3.380 159 1HE LYS 19 2HE LYS 19 10.962 -5.783 5.530 160 2HE LYS 19 1HE LYS 19 12.363 -4.770 5.875 161 1HZ LYS 19 1HZ LYS 19 11.957 -3.757 3.616 162 2HZ LYS 19 2HZ LYS 19 10.820 -3.386 4.811 163 3HZ LYS 19 3HZ LYS 19 10.454 -4.536 3.627 164 H MET 20 H MET 20 10.205 -10.910 3.050 165 HA MET 20 HA MET 20 7.455 -11.089 2.533 166 1HB MET 20 2HB MET 20 9.443 -12.746 3.626 167 2HB MET 20 1HB MET 20 8.183 -12.637 4.845 168 1HG MET 20 2HG MET 20 7.261 -14.328 3.712 169 2HG MET 20 1HG MET 20 6.693 -13.057 2.631 170 1HE MET 20 1HE MET 20 6.897 -15.695 0.541 171 2HE MET 20 2HE MET 20 7.470 -14.385 -0.493 172 3HE MET 20 3HE MET 20 6.281 -14.057 0.770 173 H PHE 21 H PHE 21 5.649 -10.806 3.801 174 HA PHE 21 HA PHE 21 5.713 -9.951 6.506 175 1HB PHE 21 2HB PHE 21 6.334 -7.910 4.782 176 2HB PHE 21 1HB PHE 21 4.589 -7.731 4.936 177 HD1 PHE 21 1HD PHE 21 7.682 -8.084 6.968 178 HD2 PHE 21 2HD PHE 21 3.699 -6.605 6.753 179 HE1 PHE 21 1HE PHE 21 7.998 -6.931 9.119 180 HE2 PHE 21 2HE PHE 21 4.007 -5.448 8.903 181 HZ PHE 21 HZ PHE 21 6.158 -5.611 10.088 182 H THR 22 H THR 22 3.385 -8.809 6.944 183 HA THR 22 HA THR 22 1.459 -10.636 5.680 184 HB THR 22 HB THR 22 0.643 -9.250 8.146 185 HG1 THR 22 1HG THR 22 1.935 -10.650 9.435 186 1HG2 THR 22 1HG2 THR 22 0.517 -11.989 8.515 187 2HG2 THR 22 2HG2 THR 22 0.145 -11.753 6.807 188 3HG2 THR 22 3HG2 THR 22 -0.802 -10.919 8.039 189 H GLY 23 H GLY 23 -0.817 -9.820 5.622 190 1HA GLY 23 2HA GLY 23 -1.323 -7.011 5.534 191 2HA GLY 23 1HA GLY 23 -1.103 -7.671 3.919 192 H LEU 24 H LEU 24 -3.537 -6.507 4.931 193 HA LEU 24 HA LEU 24 -5.284 -8.779 5.399 194 1HB LEU 24 2HB LEU 24 -6.005 -5.863 5.224 195 2HB LEU 24 1HB LEU 24 -6.953 -7.156 5.915 196 HG LEU 24 HG LEU 24 -4.493 -7.138 7.304 197 1HD1 LEU 24 1HD1 LEU 24 -3.823 -5.008 7.099 198 2HD1 LEU 24 2HD1 LEU 24 -5.132 -4.663 8.229 199 3HD1 LEU 24 3HD1 LEU 24 -5.388 -4.467 6.494 200 1HD2 LEU 24 1HD2 LEU 24 -7.078 -6.008 8.323 201 2HD2 LEU 24 2HD2 LEU 24 -5.846 -6.916 9.197 202 3HD2 LEU 24 3HD2 LEU 24 -6.874 -7.734 8.022 203 H ILE 25 H ILE 25 -6.234 -9.792 3.768 204 HA ILE 25 HA ILE 25 -6.367 -8.521 1.147 205 HB ILE 25 HB ILE 25 -7.325 -11.303 1.769 206 1HG1 ILE 25 2HG1 ILE 25 -5.026 -11.045 2.667 207 2HG1 ILE 25 1HG1 ILE 25 -5.095 -12.153 1.299 208 1HG2 ILE 25 1HG2 ILE 25 -6.178 -11.380 -0.674 209 2HG2 ILE 25 2HG2 ILE 25 -6.741 -9.709 -0.632 210 3HG2 ILE 25 3HG2 ILE 25 -7.884 -11.031 -0.392 211 1HD1 ILE 25 1HD1 ILE 25 -3.347 -10.065 1.609 212 2HD1 ILE 25 2HD1 ILE 25 -4.553 -9.416 0.499 213 3HD1 ILE 25 3HD1 ILE 25 -3.703 -10.907 0.101 214 H ASN 26 H ASN 26 -8.084 -7.288 0.759 215 HA ASN 26 HA ASN 26 -10.683 -8.108 1.864 216 1HB ASN 26 2HB ASN 26 -11.354 -5.722 1.377 217 2HB ASN 26 1HB ASN 26 -10.121 -5.913 2.618 218 1HD2 ASN 26 1HD2 ASN 26 -7.900 -5.553 1.993 219 2HD2 ASN 26 2HD2 ASN 26 -7.546 -4.418 0.739 220 H THR 27 H THR 27 -12.160 -8.881 0.522 221 HA THR 27 HA THR 27 -11.661 -8.932 -2.314 222 HB THR 27 HB THR 27 -12.574 -10.890 -1.132 223 HG1 THR 27 1HG THR 27 -13.063 -10.547 -3.362 224 1HG2 THR 27 1HG2 THR 27 -14.280 -10.796 0.261 225 2HG2 THR 27 2HG2 THR 27 -15.318 -10.143 -1.005 226 3HG2 THR 27 3HG2 THR 27 -14.369 -9.053 0.006 227 H GLY 28 H GLY 28 -12.719 -6.495 -0.522 228 1HA GLY 28 2HA GLY 28 -14.728 -5.649 -2.511 229 2HA GLY 28 1HA GLY 28 -14.816 -5.200 -0.815 230 H ALA 29 H ALA 29 -11.819 -5.283 -2.611 231 HA ALA 29 HA ALA 29 -11.132 -2.636 -1.884 232 1HB ALA 29 1HB ALA 29 -9.525 -4.493 -2.367 233 2HB ALA 29 2HB ALA 29 -9.150 -2.967 -3.168 234 3HB ALA 29 3HB ALA 29 -9.889 -4.282 -4.079 235 H ASP 30 H ASP 30 -11.114 -0.756 -3.068 236 HA ASP 30 HA ASP 30 -12.347 -0.807 -5.736 237 1HB ASP 30 2HB ASP 30 -13.532 1.337 -5.097 238 2HB ASP 30 1HB ASP 30 -14.135 -0.119 -4.311 239 H VAL 31 H VAL 31 -10.571 1.105 -3.352 240 HA VAL 31 HA VAL 31 -8.890 2.156 -5.514 241 HB VAL 31 HB VAL 31 -8.802 4.346 -4.223 242 1HG1 VAL 31 1HG1 VAL 31 -10.420 5.263 -5.564 243 2HG1 VAL 31 2HG1 VAL 31 -11.557 3.943 -5.286 244 3HG1 VAL 31 3HG1 VAL 31 -10.178 3.709 -6.360 245 1HG2 VAL 31 1HG2 VAL 31 -9.761 3.910 -2.153 246 2HG2 VAL 31 2HG2 VAL 31 -11.103 3.004 -2.851 247 3HG2 VAL 31 3HG2 VAL 31 -11.049 4.760 -3.004 248 H THR 32 H THR 32 -7.070 1.037 -4.998 249 HA THR 32 HA THR 32 -6.225 0.264 -2.489 250 HB THR 32 HB THR 32 -5.293 -0.578 -4.615 251 HG1 THR 32 1HG THR 32 -3.674 0.301 -2.525 252 1HG2 THR 32 1HG2 THR 32 -4.324 0.681 -6.139 253 2HG2 THR 32 2HG2 THR 32 -3.205 1.354 -4.953 254 3HG2 THR 32 3HG2 THR 32 -4.786 2.096 -5.197 255 H ILE 33 H ILE 33 -6.153 1.657 -0.840 256 HA ILE 33 HA ILE 33 -4.410 4.033 -1.119 257 HB ILE 33 HB ILE 33 -6.358 3.975 1.113 258 1HG1 ILE 33 2HG1 ILE 33 -7.772 3.323 -0.789 259 2HG1 ILE 33 1HG1 ILE 33 -8.154 4.943 -0.229 260 1HG2 ILE 33 1HG2 ILE 33 -6.375 6.371 0.748 261 2HG2 ILE 33 2HG2 ILE 33 -5.371 6.164 -0.689 262 3HG2 ILE 33 3HG2 ILE 33 -4.731 5.754 0.901 263 1HD1 ILE 33 1HD1 ILE 33 -6.491 5.671 -2.100 264 2HD1 ILE 33 2HD1 ILE 33 -8.154 5.240 -2.497 265 3HD1 ILE 33 3HD1 ILE 33 -6.855 4.077 -2.760 266 H ILE 34 H ILE 34 -2.617 3.912 -0.021 267 HA ILE 34 HA ILE 34 -2.508 2.177 2.352 268 HB ILE 34 HB ILE 34 -0.942 1.811 0.294 269 1HG1 ILE 34 2HG1 ILE 34 1.011 1.452 2.094 270 2HG1 ILE 34 1HG1 ILE 34 -0.333 1.723 3.199 271 1HG2 ILE 34 1HG2 ILE 34 1.076 3.515 1.510 272 2HG2 ILE 34 2HG2 ILE 34 -0.256 4.427 0.801 273 3HG2 ILE 34 3HG2 ILE 34 0.654 3.286 -0.186 274 1HD1 ILE 34 1HD1 ILE 34 0.103 -0.496 1.256 275 2HD1 ILE 34 2HD1 ILE 34 -1.538 -0.061 1.741 276 3HD1 ILE 34 3HD1 ILE 34 -0.361 -0.562 2.959 277 H LYS 35 H LYS 35 -1.355 3.051 4.241 278 HA LYS 35 HA LYS 35 -1.799 5.914 4.423 279 1HB LYS 35 2HB LYS 35 -1.325 5.596 6.829 280 2HB LYS 35 1HB LYS 35 -2.561 4.487 6.260 281 1HG LYS 35 2HG LYS 35 0.220 3.509 6.206 282 2HG LYS 35 1HG LYS 35 -0.537 3.723 7.779 283 1HD LYS 35 2HD LYS 35 -2.487 2.468 6.286 284 2HD LYS 35 1HD LYS 35 -0.992 1.686 5.773 285 1HE LYS 35 2HE LYS 35 -1.223 2.079 8.669 286 2HE LYS 35 1HE LYS 35 -2.443 1.006 7.982 287 1HZ LYS 35 1HZ LYS 35 -0.871 -0.507 7.325 288 2HZ LYS 35 2HZ LYS 35 -0.166 0.068 8.750 289 3HZ LYS 35 3HZ LYS 35 0.379 0.631 7.252 290 H LEU 36 H LEU 36 -0.164 7.274 5.567 291 HA LEU 36 HA LEU 36 2.249 7.224 4.101 292 1HB LEU 36 2HB LEU 36 0.951 8.955 5.934 293 2HB LEU 36 1HB LEU 36 2.582 8.703 6.529 294 HG LEU 36 HG LEU 36 2.492 9.259 3.661 295 1HD1 LEU 36 1HD1 LEU 36 0.980 10.929 5.510 296 2HD1 LEU 36 2HD1 LEU 36 0.919 10.841 3.757 297 3HD1 LEU 36 3HD1 LEU 36 2.164 11.805 4.551 298 1HD2 LEU 36 1HD2 LEU 36 4.325 9.384 5.681 299 2HD2 LEU 36 2HD2 LEU 36 3.888 11.080 5.475 300 3HD2 LEU 36 3HD2 LEU 36 4.497 10.151 4.103 301 H GLU 37 H GLU 37 1.355 6.017 7.277 302 HA GLU 37 HA GLU 37 3.881 5.565 8.363 303 1HB GLU 37 2HB GLU 37 1.380 3.910 8.742 304 2HB GLU 37 1HB GLU 37 2.791 3.889 9.789 305 1HG GLU 37 2HG GLU 37 1.545 5.331 10.985 306 2HG GLU 37 1HG GLU 37 2.247 6.500 9.868 307 H ASP 38 H ASP 38 2.287 3.956 5.771 308 HA ASP 38 HA ASP 38 4.198 1.729 5.910 309 1HB ASP 38 2HB ASP 38 1.406 1.923 5.146 310 2HB ASP 38 1HB ASP 38 2.366 1.169 3.879 311 H TRP 39 H TRP 39 4.346 4.639 4.684 312 HA TRP 39 HA TRP 39 5.106 3.858 1.968 313 1HB TRP 39 2HB TRP 39 4.061 5.786 1.493 314 2HB TRP 39 1HB TRP 39 4.046 6.275 3.182 315 HD1 TRP 39 HD TRP 39 6.088 6.672 -0.037 316 HE1 TRP 39 1HE TRP 39 7.708 8.651 0.266 317 HE3 TRP 39 3HE TRP 39 5.336 7.595 4.932 318 HZ2 TRP 39 2HZ TRP 39 8.553 10.369 2.343 319 HZ3 TRP 39 3HZ TRP 39 6.584 9.421 5.999 320 HH2 TRP 39 HH TRP 39 8.156 10.783 4.726 321 HA PRO 40 HA PRO 40 9.424 3.890 2.854 322 1HB PRO 40 2HB PRO 40 10.418 4.618 0.433 323 2HB PRO 40 1HB PRO 40 9.755 3.013 0.760 324 1HG PRO 40 2HG PRO 40 8.448 5.368 -0.553 325 2HG PRO 40 1HG PRO 40 8.423 3.662 -1.039 326 1HD PRO 40 2HD PRO 40 6.367 4.797 0.279 327 2HD PRO 40 1HD PRO 40 6.831 3.104 0.544 328 HA PRO 41 HA PRO 41 10.023 8.230 3.913 329 1HB PRO 41 2HB PRO 41 12.604 7.271 4.962 330 2HB PRO 41 1HB PRO 41 11.288 8.096 5.800 331 1HG PRO 41 2HG PRO 41 11.805 5.496 6.209 332 2HG PRO 41 1HG PRO 41 10.150 6.135 6.227 333 1HD PRO 41 2HD PRO 41 11.579 4.631 4.069 334 2HD PRO 41 1HD PRO 41 9.897 4.487 4.622 335 H ASN 42 H ASN 42 11.900 6.272 1.831 336 HA ASN 42 HA ASN 42 14.147 7.704 1.243 337 1HB ASN 42 2HB ASN 42 13.254 5.533 0.184 338 2HB ASN 42 1HB ASN 42 12.427 6.588 -0.958 339 1HD2 ASN 42 1HD2 ASN 42 14.946 4.688 -0.783 340 2HD2 ASN 42 2HD2 ASN 42 16.092 5.539 -1.755 341 H TRP 43 H TRP 43 10.853 8.406 0.193 342 HA TRP 43 HA TRP 43 11.719 11.101 -0.554 343 1HB TRP 43 2HB TRP 43 10.512 11.066 -2.639 344 2HB TRP 43 1HB TRP 43 11.613 9.696 -2.623 345 HD1 TRP 43 HD TRP 43 7.850 10.395 -1.944 346 HE1 TRP 43 1HE TRP 43 6.534 8.298 -2.636 347 HE3 TRP 43 3HE TRP 43 11.757 7.346 -3.223 348 HZ2 TRP 43 2HZ TRP 43 7.066 5.708 -3.601 349 HZ3 TRP 43 3HZ TRP 43 11.260 5.073 -4.019 350 HH2 TRP 43 HH TRP 43 8.958 4.277 -4.201 351 HA PRO 44 HA PRO 44 8.077 12.107 1.794 352 1HB PRO 44 2HB PRO 44 8.045 14.682 0.398 353 2HB PRO 44 1HB PRO 44 8.314 14.349 2.110 354 1HG PRO 44 2HG PRO 44 10.291 15.199 0.483 355 2HG PRO 44 1HG PRO 44 10.586 14.097 1.841 356 1HD PRO 44 2HD PRO 44 10.360 13.490 -1.084 357 2HD PRO 44 1HD PRO 44 11.480 12.826 0.125 358 H ILE 45 H ILE 45 5.897 11.994 1.460 359 HA ILE 45 HA ILE 45 5.055 11.701 -1.311 360 HB ILE 45 HB ILE 45 2.933 10.895 -0.371 361 1HG1 ILE 45 2HG1 ILE 45 3.419 10.103 2.163 362 2HG1 ILE 45 1HG1 ILE 45 4.302 11.626 2.148 363 1HG2 ILE 45 1HG2 ILE 45 5.034 9.217 0.871 364 2HG2 ILE 45 2HG2 ILE 45 5.182 9.570 -0.851 365 3HG2 ILE 45 3HG2 ILE 45 3.736 8.767 -0.236 366 1HD1 ILE 45 1HD1 ILE 45 2.290 12.401 2.786 367 2HD1 ILE 45 2HD1 ILE 45 1.407 11.109 1.967 368 3HD1 ILE 45 3HD1 ILE 45 2.052 12.465 1.042 369 H THR 46 H THR 46 3.711 13.061 -2.363 370 HA THR 46 HA THR 46 2.401 15.151 -0.798 371 HB THR 46 HB THR 46 4.803 15.539 -1.891 372 HG1 THR 46 1HG THR 46 2.848 17.572 -1.663 373 1HG2 THR 46 1HG2 THR 46 2.949 16.886 -3.830 374 2HG2 THR 46 2HG2 THR 46 3.881 15.434 -4.200 375 3HG2 THR 46 3HG2 THR 46 4.713 16.939 -3.803 376 H ASP 47 H ASP 47 0.467 15.701 -1.367 377 HA ASP 47 HA ASP 47 -0.348 15.851 -4.154 378 1HB ASP 47 2HB ASP 47 -1.321 13.692 -2.636 379 2HB ASP 47 1HB ASP 47 -2.629 14.856 -2.683 380 H THR 48 H THR 48 -1.157 17.866 -4.444 381 HA THR 48 HA THR 48 -1.769 19.506 -2.192 382 HB THR 48 HB THR 48 -2.192 21.253 -3.724 383 HG1 THR 48 1HG THR 48 -3.261 20.932 -5.484 384 1HG2 THR 48 1HG2 THR 48 -0.435 19.881 -5.618 385 2HG2 THR 48 2HG2 THR 48 0.132 19.895 -3.948 386 3HG2 THR 48 3HG2 THR 48 -0.227 21.413 -4.770 387 H LEU 49 H LEU 49 -3.442 18.580 -0.986 388 HA LEU 49 HA LEU 49 -5.841 17.751 -2.362 389 1HB LEU 49 2HB LEU 49 -4.857 16.685 -0.297 390 2HB LEU 49 1HB LEU 49 -5.447 18.058 0.596 391 HG LEU 49 HG LEU 49 -7.724 17.463 0.196 392 1HD1 LEU 49 1HD1 LEU 49 -7.626 16.855 -2.119 393 2HD1 LEU 49 2HD1 LEU 49 -8.311 15.505 -1.215 394 3HD1 LEU 49 3HD1 LEU 49 -6.634 15.444 -1.756 395 1HD2 LEU 49 1HD2 LEU 49 -7.431 14.809 0.733 396 2HD2 LEU 49 2HD2 LEU 49 -7.328 16.100 1.930 397 3HD2 LEU 49 3HD2 LEU 49 -5.858 15.447 1.207 398 H THR 50 H THR 50 -8.023 18.584 -1.276 399 HA THR 50 HA THR 50 -7.872 21.515 -1.434 400 HB THR 50 HB THR 50 -10.421 21.127 -2.031 401 HG1 THR 50 1HG THR 50 -9.199 18.719 -2.891 402 1HG2 THR 50 1HG2 THR 50 -8.501 22.014 -3.499 403 2HG2 THR 50 2HG2 THR 50 -9.945 21.367 -4.278 404 3HG2 THR 50 3HG2 THR 50 -8.483 20.387 -4.178 405 H ASN 51 H ASN 51 -8.169 22.540 0.371 406 HA ASN 51 HA ASN 51 -10.252 21.654 2.248 407 1HB ASN 51 2HB ASN 51 -7.759 21.241 2.967 408 2HB ASN 51 1HB ASN 51 -7.749 22.980 3.230 409 1HD2 ASN 51 1HD2 ASN 51 -8.863 23.842 4.934 410 2HD2 ASN 51 2HD2 ASN 51 -9.594 22.883 6.171 411 H LEU 52 H LEU 52 -11.531 23.242 1.078 412 HA LEU 52 HA LEU 52 -10.636 25.999 1.332 413 1HB LEU 52 2HB LEU 52 -12.658 24.587 -0.314 414 2HB LEU 52 1HB LEU 52 -12.912 26.285 0.022 415 HG LEU 52 HG LEU 52 -11.369 26.932 -1.472 416 1HD1 LEU 52 1HD1 LEU 52 -9.163 25.706 -1.757 417 2HD1 LEU 52 2HD1 LEU 52 -9.651 24.725 -0.377 418 3HD1 LEU 52 3HD1 LEU 52 -9.449 26.467 -0.192 419 1HD2 LEU 52 1HD2 LEU 52 -12.644 24.983 -2.547 420 2HD2 LEU 52 2HD2 LEU 52 -11.133 24.091 -2.374 421 3HD2 LEU 52 3HD2 LEU 52 -11.181 25.566 -3.339 422 H ARG 53 H ARG 53 -11.302 27.370 2.733 423 HA ARG 53 HA ARG 53 -13.446 26.675 4.572 424 1HB ARG 53 2HB ARG 53 -10.979 28.117 4.779 425 2HB ARG 53 1HB ARG 53 -12.298 29.175 5.254 426 1HG ARG 53 2HG ARG 53 -12.952 27.760 6.999 427 2HG ARG 53 1HG ARG 53 -12.024 26.404 6.358 428 1HD ARG 53 2HD ARG 53 -10.331 28.688 6.875 429 2HD ARG 53 1HD ARG 53 -11.224 28.215 8.319 430 HE ARG 53 HE ARG 53 -10.235 25.874 7.317 431 1HH1 ARG 53 1HH1 ARG 53 -8.843 28.913 8.320 432 2HH1 ARG 53 2HH1 ARG 53 -7.342 28.205 8.815 433 1HH2 ARG 53 1HH2 ARG 53 -8.263 24.940 7.968 434 2HH2 ARG 53 2HH2 ARG 53 -7.013 25.949 8.614 435 H GLY 54 H GLY 54 -13.587 27.863 1.668 436 1HA GLY 54 2HA GLY 54 -15.230 29.133 0.613 437 2HA GLY 54 1HA GLY 54 -15.889 29.531 2.198 438 H ILE 55 H ILE 55 -14.304 30.858 3.539 439 HA ILE 55 HA ILE 55 -13.390 33.105 1.895 440 HB ILE 55 HB ILE 55 -13.193 34.114 4.375 441 1HG1 ILE 55 2HG1 ILE 55 -15.377 32.029 4.526 442 2HG1 ILE 55 1HG1 ILE 55 -13.985 32.202 5.589 443 1HG2 ILE 55 1HG2 ILE 55 -15.719 33.981 2.738 444 2HG2 ILE 55 2HG2 ILE 55 -14.394 35.126 2.535 445 3HG2 ILE 55 3HG2 ILE 55 -15.379 35.167 3.997 446 1HD1 ILE 55 1HD1 ILE 55 -15.369 33.269 6.956 447 2HD1 ILE 55 2HD1 ILE 55 -16.589 33.464 5.699 448 3HD1 ILE 55 3HD1 ILE 55 -15.265 34.620 5.829 449 H GLY 56 H GLY 56 -12.424 30.429 3.666 450 1HA GLY 56 2HA GLY 56 -9.670 31.472 3.915 451 2HA GLY 56 1HA GLY 56 -10.349 30.245 4.976 452 H GLN 57 H GLN 57 -10.387 30.621 1.437 453 HA GLN 57 HA GLN 57 -10.263 27.997 0.720 454 1HB GLN 57 2HB GLN 57 -9.135 28.775 -1.382 455 2HB GLN 57 1HB GLN 57 -10.588 29.667 -0.953 456 1HG GLN 57 2HG GLN 57 -9.456 31.559 -1.027 457 2HG GLN 57 1HG GLN 57 -8.383 30.979 0.245 458 1HE2 GLN 57 1HE2 GLN 57 -6.353 31.244 -0.308 459 2HE2 GLN 57 2HE2 GLN 57 -5.675 30.985 -1.876 460 H SER 58 H SER 58 -8.964 26.660 1.902 461 HA SER 58 HA SER 58 -6.056 27.087 1.696 462 1HB SER 58 2HB SER 58 -7.770 26.255 3.929 463 2HB SER 58 1HB SER 58 -6.366 25.214 3.689 464 HG SER 58 HG SER 58 -5.960 27.022 5.076 465 H ASN 59 H ASN 59 -4.903 24.805 2.009 466 HA ASN 59 HA ASN 59 -6.237 22.907 0.184 467 1HB ASN 59 2HB ASN 59 -3.294 23.583 0.354 468 2HB ASN 59 1HB ASN 59 -3.975 22.310 -0.653 469 1HD2 ASN 59 1HD2 ASN 59 -4.540 22.823 -2.649 470 2HD2 ASN 59 2HD2 ASN 59 -4.745 24.425 -3.260 471 H ASN 60 H ASN 60 -6.242 20.766 0.734 472 HA ASN 60 HA ASN 60 -5.572 20.118 3.439 473 1HB ASN 60 2HB ASN 60 -7.025 18.821 1.235 474 2HB ASN 60 1HB ASN 60 -6.213 17.709 2.331 475 1HD2 ASN 60 1HD2 ASN 60 -6.495 19.197 4.710 476 2HD2 ASN 60 2HD2 ASN 60 -8.167 19.223 5.129 477 HA PRO 61 HA PRO 61 -1.600 18.404 3.257 478 1HB PRO 61 2HB PRO 61 -1.806 15.958 4.470 479 2HB PRO 61 1HB PRO 61 -1.819 17.506 5.321 480 1HG PRO 61 2HG PRO 61 -4.122 15.789 4.477 481 2HG PRO 61 1HG PRO 61 -3.862 16.636 6.014 482 1HD PRO 61 2HD PRO 61 -5.493 17.623 4.129 483 2HD PRO 61 1HD PRO 61 -4.486 18.689 5.132 484 H LYS 62 H LYS 62 -0.928 18.113 1.279 485 HA LYS 62 HA LYS 62 -1.450 16.473 -0.692 486 1HB LYS 62 2HB LYS 62 1.307 16.635 -0.788 487 2HB LYS 62 1HB LYS 62 0.210 17.865 -1.374 488 1HG LYS 62 2HG LYS 62 2.019 18.739 0.036 489 2HG LYS 62 1HG LYS 62 0.422 19.089 0.690 490 1HD LYS 62 2HD LYS 62 0.678 17.607 2.445 491 2HD LYS 62 1HD LYS 62 1.860 16.626 1.580 492 1HE LYS 62 2HE LYS 62 3.575 18.218 1.936 493 2HE LYS 62 1HE LYS 62 2.427 19.439 2.483 494 1HZ LYS 62 1HZ LYS 62 2.381 18.592 4.544 495 2HZ LYS 62 2HZ LYS 62 3.859 17.886 4.120 496 3HZ LYS 62 3HZ LYS 62 2.432 16.984 4.017 497 H GLN 63 H GLN 63 -1.478 14.394 -1.084 498 HA GLN 63 HA GLN 63 0.227 12.535 0.446 499 1HB GLN 63 2HB GLN 63 -1.513 11.095 0.602 500 2HB GLN 63 1HB GLN 63 -2.475 12.524 0.308 501 1HG GLN 63 2HG GLN 63 -1.593 11.066 -2.098 502 2HG GLN 63 1HG GLN 63 -2.733 10.229 -1.053 503 1HE2 GLN 63 1HE2 GLN 63 -4.361 12.130 -0.156 504 2HE2 GLN 63 2HE2 GLN 63 -5.191 12.911 -1.455 505 H SER 64 H SER 64 1.209 10.732 -0.761 506 HA SER 64 HA SER 64 1.675 11.500 -3.565 507 1HB SER 64 2HB SER 64 3.670 11.311 -2.134 508 2HB SER 64 1HB SER 64 3.332 9.599 -1.931 509 HG SER 64 HG SER 64 4.037 10.993 -4.283 510 H SER 65 H SER 65 2.759 9.054 -4.437 511 HA SER 65 HA SER 65 0.353 7.375 -4.529 512 1HB SER 65 2HB SER 65 0.912 6.795 -6.816 513 2HB SER 65 1HB SER 65 0.861 8.551 -6.663 514 HG SER 65 HG SER 65 2.755 7.387 -7.755 515 H LYS 66 H LYS 66 3.891 7.376 -4.547 516 HA LYS 66 HA LYS 66 5.339 5.522 -4.584 517 1HB LYS 66 2HB LYS 66 5.744 4.921 -2.321 518 2HB LYS 66 1HB LYS 66 5.187 6.585 -2.324 519 1HG LYS 66 2HG LYS 66 3.703 6.026 -0.793 520 2HG LYS 66 1HG LYS 66 2.882 5.043 -2.004 521 1HD LYS 66 2HD LYS 66 5.131 3.580 -1.040 522 2HD LYS 66 1HD LYS 66 4.234 4.198 0.347 523 1HE LYS 66 2HE LYS 66 2.211 3.303 -1.213 524 2HE LYS 66 1HE LYS 66 3.487 2.167 -1.641 525 1HZ LYS 66 1HZ LYS 66 2.919 2.750 1.193 526 2HZ LYS 66 2HZ LYS 66 3.625 1.375 0.510 527 3HZ LYS 66 3HZ LYS 66 1.962 1.637 0.352 528 H TYR 67 H TYR 67 4.916 3.833 -5.914 529 HA TYR 67 HA TYR 67 2.696 2.109 -5.386 530 1HB TYR 67 2HB TYR 67 2.912 1.397 -7.520 531 2HB TYR 67 1HB TYR 67 3.835 2.877 -7.663 532 HD1 TYR 67 1HD TYR 67 6.454 2.305 -6.716 533 HD2 TYR 67 2HD TYR 67 3.781 -0.259 -8.805 534 HE1 TYR 67 1HE TYR 67 8.366 1.014 -7.569 535 HE2 TYR 67 2HE TYR 67 5.676 -1.554 -9.661 536 HH TYR 67 HH TYR 67 8.123 -1.992 -8.859 537 H LEU 68 H LEU 68 2.605 0.303 -4.366 538 HA LEU 68 HA LEU 68 5.075 -0.823 -3.279 539 1HB LEU 68 2HB LEU 68 2.582 -0.280 -2.152 540 2HB LEU 68 1HB LEU 68 2.607 -2.024 -2.331 541 HG LEU 68 HG LEU 68 4.586 -2.205 -0.979 542 1HD1 LEU 68 1HD1 LEU 68 6.028 -0.508 -1.274 543 2HD1 LEU 68 2HD1 LEU 68 5.192 0.182 0.119 544 3HD1 LEU 68 3HD1 LEU 68 4.748 0.681 -1.515 545 1HD2 LEU 68 1HD2 LEU 68 3.721 -0.914 1.116 546 2HD2 LEU 68 2HD2 LEU 68 2.766 -2.233 0.438 547 3HD2 LEU 68 3HD2 LEU 68 2.333 -0.559 0.087 548 H THR 69 H THR 69 5.635 -2.951 -3.556 549 HA THR 69 HA THR 69 4.115 -4.370 -5.627 550 HB THR 69 HB THR 69 6.341 -5.556 -6.034 551 HG1 THR 69 1HG THR 69 7.342 -3.285 -4.666 552 1HG2 THR 69 1HG2 THR 69 7.327 -3.478 -7.194 553 2HG2 THR 69 2HG2 THR 69 5.840 -2.681 -6.676 554 3HG2 THR 69 3HG2 THR 69 5.766 -4.101 -7.725 555 H TRP 70 H TRP 70 2.817 -5.659 -4.522 556 HA TRP 70 HA TRP 70 3.866 -7.337 -2.377 557 1HB TRP 70 2HB TRP 70 1.596 -5.906 -2.400 558 2HB TRP 70 1HB TRP 70 0.988 -7.377 -3.149 559 HD1 TRP 70 HD TRP 70 3.607 -8.207 -0.651 560 HE1 TRP 70 1HE TRP 70 2.522 -9.060 1.523 561 HE3 TRP 70 3HE TRP 70 -1.236 -6.855 -1.571 562 HZ2 TRP 70 2HZ TRP 70 -0.040 -9.142 2.694 563 HZ3 TRP 70 3HZ TRP 70 -2.943 -7.358 0.129 564 HH2 TRP 70 HH TRP 70 -2.354 -8.480 2.217 565 H ARG 71 H ARG 71 4.292 -9.416 -2.768 566 HA ARG 71 HA ARG 71 2.936 -10.784 -4.948 567 1HB ARG 71 2HB ARG 71 5.866 -10.240 -4.777 568 2HB ARG 71 1HB ARG 71 5.310 -11.725 -5.536 569 1HG ARG 71 2HG ARG 71 4.549 -10.654 -7.363 570 2HG ARG 71 1HG ARG 71 3.991 -9.256 -6.444 571 1HD ARG 71 2HD ARG 71 6.825 -9.880 -7.253 572 2HD ARG 71 1HD ARG 71 5.802 -8.596 -7.893 573 HE ARG 71 HE ARG 71 5.868 -7.994 -5.285 574 1HH1 ARG 71 1HH1 ARG 71 8.418 -8.787 -7.535 575 2HH1 ARG 71 2HH1 ARG 71 9.608 -7.835 -6.713 576 1HH2 ARG 71 1HH2 ARG 71 7.433 -6.742 -4.206 577 2HH2 ARG 71 2HH2 ARG 71 9.050 -6.675 -4.825 578 H ASP 72 H ASP 72 2.742 -12.991 -4.639 579 HA ASP 72 HA ASP 72 3.193 -13.917 -1.954 580 1HB ASP 72 2HB ASP 72 1.173 -14.478 -3.445 581 2HB ASP 72 1HB ASP 72 2.248 -15.600 -4.274 582 H LYS 73 H LYS 73 4.278 -15.998 -1.539 583 HA LYS 73 HA LYS 73 6.913 -16.055 -2.037 584 1HB LYS 73 2HB LYS 73 6.780 -18.594 -1.757 585 2HB LYS 73 1HB LYS 73 6.116 -17.601 -0.467 586 1HG LYS 73 2HG LYS 73 4.465 -19.156 -0.693 587 2HG LYS 73 1HG LYS 73 3.881 -17.913 -1.800 588 1HD LYS 73 2HD LYS 73 3.723 -19.633 -3.251 589 2HD LYS 73 1HD LYS 73 5.454 -19.359 -3.458 590 1HE LYS 73 2HE LYS 73 6.004 -21.113 -1.966 591 2HE LYS 73 1HE LYS 73 4.343 -21.238 -1.389 592 1HZ LYS 73 1HZ LYS 73 4.192 -21.648 -4.099 593 2HZ LYS 73 2HZ LYS 73 4.085 -22.831 -2.894 594 3HZ LYS 73 3HZ LYS 73 5.575 -22.501 -3.624 595 H GLU 74 H GLU 74 4.461 -17.098 -4.282 596 HA GLU 74 HA GLU 74 6.370 -18.310 -6.073 597 1HB GLU 74 2HB GLU 74 3.668 -18.621 -5.699 598 2HB GLU 74 1HB GLU 74 3.723 -17.647 -7.162 599 1HG GLU 74 2HG GLU 74 5.644 -19.650 -7.511 600 2HG GLU 74 1HG GLU 74 4.237 -20.447 -6.810 601 H ASN 75 H ASN 75 6.625 -15.456 -5.294 602 HA ASN 75 HA ASN 75 6.993 -13.400 -6.169 603 1HB ASN 75 2HB ASN 75 8.296 -13.374 -8.243 604 2HB ASN 75 1HB ASN 75 8.849 -14.648 -7.163 605 1HD2 ASN 75 1HD2 ASN 75 7.515 -13.884 -10.216 606 2HD2 ASN 75 2HD2 ASN 75 7.447 -15.493 -10.843 607 H ASN 76 H ASN 76 4.391 -13.630 -6.196 608 HA ASN 76 HA ASN 76 3.566 -11.977 -8.321 609 1HB ASN 76 2HB ASN 76 1.975 -13.570 -9.446 610 2HB ASN 76 1HB ASN 76 3.681 -13.859 -9.775 611 1HD2 ASN 76 1HD2 ASN 76 3.736 -15.978 -10.138 612 2HD2 ASN 76 2HD2 ASN 76 3.197 -17.193 -9.033 613 H SER 77 H SER 77 1.696 -10.950 -7.840 614 HA SER 77 HA SER 77 -0.490 -12.042 -6.492 615 1HB SER 77 2HB SER 77 1.485 -11.766 -4.682 616 2HB SER 77 1HB SER 77 0.741 -10.175 -4.557 617 HG SER 77 HG SER 77 -0.351 -12.710 -4.026 618 H GLY 78 H GLY 78 1.382 -8.994 -6.769 619 1HA GLY 78 2HA GLY 78 -0.211 -7.569 -8.397 620 2HA GLY 78 1HA GLY 78 -1.086 -7.467 -6.877 621 H LEU 79 H LEU 79 0.544 -5.533 -8.650 622 HA LEU 79 HA LEU 79 1.725 -4.122 -6.404 623 1HB LEU 79 2HB LEU 79 3.871 -3.813 -7.437 624 2HB LEU 79 1HB LEU 79 3.549 -5.528 -7.261 625 HG LEU 79 HG LEU 79 2.634 -4.820 -9.832 626 1HD1 LEU 79 1HD1 LEU 79 4.059 -3.371 -10.748 627 2HD1 LEU 79 2HD1 LEU 79 5.452 -4.090 -9.936 628 3HD1 LEU 79 3HD1 LEU 79 4.450 -2.910 -9.092 629 1HD2 LEU 79 1HD2 LEU 79 5.290 -6.073 -9.560 630 2HD2 LEU 79 2HD2 LEU 79 3.859 -6.616 -10.437 631 3HD2 LEU 79 3HD2 LEU 79 3.969 -6.860 -8.694 632 H ILE 80 H ILE 80 1.116 -2.060 -6.525 633 HA ILE 80 HA ILE 80 1.195 -0.617 -9.017 634 HB ILE 80 HB ILE 80 -1.205 0.170 -8.788 635 1HG1 ILE 80 2HG1 ILE 80 -2.705 -1.664 -7.804 636 2HG1 ILE 80 1HG1 ILE 80 -1.254 -2.253 -7.003 637 1HG2 ILE 80 1HG2 ILE 80 -0.857 -2.721 -9.560 638 2HG2 ILE 80 2HG2 ILE 80 -0.332 -1.361 -10.552 639 3HG2 ILE 80 3HG2 ILE 80 -2.044 -1.577 -10.187 640 1HD1 ILE 80 1HD1 ILE 80 -2.760 -0.747 -5.659 641 2HD1 ILE 80 2HD1 ILE 80 -2.221 0.567 -6.704 642 3HD1 ILE 80 3HD1 ILE 80 -1.054 -0.304 -5.709 643 H LYS 81 H LYS 81 0.372 1.667 -8.716 644 HA LYS 81 HA LYS 81 1.498 2.708 -6.256 645 1HB LYS 81 2HB LYS 81 1.302 4.904 -7.392 646 2HB LYS 81 1HB LYS 81 2.239 3.726 -8.300 647 1HG LYS 81 2HG LYS 81 0.949 4.085 -10.053 648 2HG LYS 81 1HG LYS 81 -0.428 3.454 -9.151 649 1HD LYS 81 2HD LYS 81 -0.346 5.926 -8.131 650 2HD LYS 81 1HD LYS 81 0.358 6.253 -9.715 651 1HE LYS 81 2HE LYS 81 -1.598 5.111 -10.746 652 2HE LYS 81 1HE LYS 81 -2.313 4.979 -9.141 653 1HZ LYS 81 1HZ LYS 81 -1.494 7.586 -10.270 654 2HZ LYS 81 2HZ LYS 81 -2.551 7.283 -8.984 655 3HZ LYS 81 3HZ LYS 81 -3.025 6.929 -10.570 656 HA PRO 82 HA PRO 82 -2.742 3.423 -4.808 657 1HB PRO 82 2HB PRO 82 -1.952 3.098 -2.136 658 2HB PRO 82 1HB PRO 82 -2.652 1.855 -3.170 659 1HG PRO 82 2HG PRO 82 -0.041 1.887 -2.129 660 2HG PRO 82 1HG PRO 82 -0.663 0.807 -3.386 661 1HD PRO 82 2HD PRO 82 0.941 3.300 -3.653 662 2HD PRO 82 1HD PRO 82 0.957 1.834 -4.650 663 H PHE 83 H PHE 83 -3.359 4.750 -2.619 664 HA PHE 83 HA PHE 83 -1.948 7.313 -2.916 665 1HB PHE 83 2HB PHE 83 -4.769 6.565 -2.529 666 2HB PHE 83 1HB PHE 83 -4.231 7.910 -1.529 667 HD1 PHE 83 1HD PHE 83 -5.957 7.327 -4.330 668 HD2 PHE 83 2HD PHE 83 -2.465 9.438 -3.125 669 HE1 PHE 83 1HE PHE 83 -6.220 8.847 -6.246 670 HE2 PHE 83 2HE PHE 83 -2.723 10.964 -5.038 671 HZ PHE 83 HZ PHE 83 -4.602 10.669 -6.601 672 H VAL 84 H VAL 84 -0.663 7.931 -1.287 673 HA VAL 84 HA VAL 84 -1.035 6.708 1.324 674 HB VAL 84 HB VAL 84 1.464 8.073 0.388 675 1HG1 VAL 84 1HG1 VAL 84 0.879 7.355 2.800 676 2HG1 VAL 84 2HG1 VAL 84 2.483 7.022 2.144 677 3HG1 VAL 84 3HG1 VAL 84 1.272 5.738 2.214 678 1HG2 VAL 84 1HG2 VAL 84 1.935 5.362 0.147 679 2HG2 VAL 84 2HG2 VAL 84 1.736 6.512 -1.176 680 3HG2 VAL 84 3HG2 VAL 84 0.353 5.583 -0.600 681 H ILE 85 H ILE 85 -2.026 7.993 2.693 682 HA ILE 85 HA ILE 85 -1.257 10.843 2.763 683 HB ILE 85 HB ILE 85 -3.956 10.226 3.751 684 1HG1 ILE 85 2HG1 ILE 85 -3.348 10.005 0.794 685 2HG1 ILE 85 1HG1 ILE 85 -3.923 8.704 1.832 686 1HG2 ILE 85 1HG2 ILE 85 -2.482 12.399 2.497 687 2HG2 ILE 85 2HG2 ILE 85 -3.867 12.452 3.589 688 3HG2 ILE 85 3HG2 ILE 85 -4.116 12.223 1.858 689 1HD1 ILE 85 1HD1 ILE 85 -5.510 10.199 0.267 690 2HD1 ILE 85 2HD1 ILE 85 -5.601 11.116 1.771 691 3HD1 ILE 85 3HD1 ILE 85 -6.052 9.410 1.749 692 HA PRO 86 HA PRO 86 -0.458 10.000 7.042 693 1HB PRO 86 2HB PRO 86 -0.553 12.478 8.101 694 2HB PRO 86 1HB PRO 86 0.752 11.963 7.031 695 1HG PRO 86 2HG PRO 86 -1.631 13.654 6.439 696 2HG PRO 86 1HG PRO 86 0.028 13.807 5.842 697 1HD PRO 86 2HD PRO 86 -2.052 12.693 4.422 698 2HD PRO 86 1HD PRO 86 -0.341 12.352 4.120 699 H ASN 87 H ASN 87 -3.005 9.212 6.562 700 HA ASN 87 HA ASN 87 -4.369 10.225 8.926 701 1HB ASN 87 2HB ASN 87 -5.161 11.025 6.436 702 2HB ASN 87 1HB ASN 87 -6.220 9.650 6.730 703 1HD2 ASN 87 1HD2 ASN 87 -8.111 10.363 7.378 704 2HD2 ASN 87 2HD2 ASN 87 -8.386 11.604 8.546 705 H LEU 88 H LEU 88 -3.536 7.552 6.970 706 HA LEU 88 HA LEU 88 -3.713 5.321 7.422 707 1HB LEU 88 2HB LEU 88 -3.920 6.110 9.861 708 2HB LEU 88 1HB LEU 88 -5.645 5.908 9.648 709 HG LEU 88 HG LEU 88 -4.998 3.494 8.885 710 1HD1 LEU 88 1HD1 LEU 88 -3.016 2.700 10.229 711 2HD1 LEU 88 2HD1 LEU 88 -2.565 4.397 10.402 712 3HD1 LEU 88 3HD1 LEU 88 -2.644 3.663 8.798 713 1HD2 LEU 88 1HD2 LEU 88 -6.017 4.553 11.158 714 2HD2 LEU 88 2HD2 LEU 88 -4.582 3.741 11.785 715 3HD2 LEU 88 3HD2 LEU 88 -5.789 2.826 10.881 716 HA PRO 89 HA PRO 89 -7.773 5.669 5.200 717 1HB PRO 89 2HB PRO 89 -6.887 4.763 2.811 718 2HB PRO 89 1HB PRO 89 -6.796 6.463 3.282 719 1HG PRO 89 2HG PRO 89 -4.662 4.372 3.320 720 2HG PRO 89 1HG PRO 89 -4.556 6.071 2.830 721 1HD PRO 89 2HD PRO 89 -3.725 5.141 5.244 722 2HD PRO 89 1HD PRO 89 -4.304 6.793 4.986 723 H VAL 90 H VAL 90 -6.392 3.472 6.826 724 HA VAL 90 HA VAL 90 -6.997 1.350 7.407 725 HB VAL 90 HB VAL 90 -8.680 1.366 4.924 726 1HG1 VAL 90 1HG1 VAL 90 -8.844 -0.820 5.441 727 2HG1 VAL 90 2HG1 VAL 90 -9.939 -0.260 6.705 728 3HG1 VAL 90 3HG1 VAL 90 -8.245 -0.576 7.081 729 1HG2 VAL 90 1HG2 VAL 90 -10.134 1.666 7.399 730 2HG2 VAL 90 2HG2 VAL 90 -10.171 2.666 5.947 731 3HG2 VAL 90 3HG2 VAL 90 -8.956 2.965 7.191 732 H ASN 91 H ASN 91 -5.175 2.233 4.909 733 HA ASN 91 HA ASN 91 -3.827 1.211 3.369 734 1HB ASN 91 2HB ASN 91 -2.448 -0.564 4.297 735 2HB ASN 91 1HB ASN 91 -2.726 0.679 5.506 736 1HD2 ASN 91 1HD2 ASN 91 -2.992 -2.601 4.739 737 2HD2 ASN 91 2HD2 ASN 91 -3.821 -3.116 6.163 738 H LEU 92 H LEU 92 -6.095 0.771 2.296 739 HA LEU 92 HA LEU 92 -6.483 -2.119 1.971 740 1HB LEU 92 2HB LEU 92 -8.448 -1.191 0.471 741 2HB LEU 92 1HB LEU 92 -8.609 -1.349 2.211 742 HG LEU 92 HG LEU 92 -7.601 1.251 1.738 743 1HD1 LEU 92 1HD1 LEU 92 -8.232 1.393 -0.471 744 2HD1 LEU 92 2HD1 LEU 92 -9.652 2.024 0.359 745 3HD1 LEU 92 3HD1 LEU 92 -9.646 0.367 -0.246 746 1HD2 LEU 92 1HD2 LEU 92 -9.392 1.892 3.016 747 2HD2 LEU 92 2HD2 LEU 92 -9.302 0.181 3.435 748 3HD2 LEU 92 3HD2 LEU 92 -10.487 0.740 2.252 749 H TRP 93 H TRP 93 -6.212 -3.140 0.062 750 HA TRP 93 HA TRP 93 -4.545 -1.802 -1.891 751 1HB TRP 93 2HB TRP 93 -4.951 -4.480 -1.002 752 2HB TRP 93 1HB TRP 93 -5.316 -4.427 -2.721 753 HD1 TRP 93 HD TRP 93 -3.182 -5.798 -3.401 754 HE1 TRP 93 1HE TRP 93 -0.681 -5.217 -3.502 755 HE3 TRP 93 3HE TRP 93 -3.215 -1.474 -0.652 756 HZ2 TRP 93 2HZ TRP 93 1.035 -3.216 -2.576 757 HZ3 TRP 93 3HZ TRP 93 -1.086 -0.288 -0.320 758 HH2 TRP 93 HH TRP 93 0.994 -1.144 -1.256 759 H GLY 94 H GLY 94 -5.260 -2.952 -4.255 760 1HA GLY 94 2HA GLY 94 -7.913 -1.741 -4.693 761 2HA GLY 94 1HA GLY 94 -6.616 -1.750 -5.874 762 H ARG 95 H ARG 95 -9.381 -2.713 -6.108 763 HA ARG 95 HA ARG 95 -9.731 -5.425 -5.927 764 1HB ARG 95 2HB ARG 95 -11.425 -3.748 -6.684 765 2HB ARG 95 1HB ARG 95 -10.655 -3.745 -8.260 766 1HG ARG 95 2HG ARG 95 -11.316 -5.930 -8.727 767 2HG ARG 95 1HG ARG 95 -11.645 -6.287 -7.031 768 1HD ARG 95 2HD ARG 95 -13.215 -4.396 -8.779 769 2HD ARG 95 1HD ARG 95 -13.708 -6.023 -8.312 770 HE ARG 95 HE ARG 95 -13.162 -4.192 -6.132 771 1HH1 ARG 95 1HH1 ARG 95 -15.574 -5.611 -8.227 772 2HH1 ARG 95 2HH1 ARG 95 -16.886 -5.258 -7.156 773 1HH2 ARG 95 1HH2 ARG 95 -14.891 -3.727 -4.729 774 2HH2 ARG 95 2HH2 ARG 95 -16.500 -4.187 -5.174 775 H ASP 96 H ASP 96 -7.626 -3.723 -8.083 776 HA ASP 96 HA ASP 96 -7.365 -5.805 -10.013 777 1HB ASP 96 2HB ASP 96 -5.275 -4.508 -10.667 778 2HB ASP 96 1HB ASP 96 -6.799 -3.634 -10.762 779 H LEU 97 H LEU 97 -5.409 -4.787 -7.212 780 HA LEU 97 HA LEU 97 -3.445 -6.810 -7.592 781 1HB LEU 97 2HB LEU 97 -4.092 -5.209 -5.112 782 2HB LEU 97 1HB LEU 97 -2.681 -6.222 -5.322 783 HG LEU 97 HG LEU 97 -3.111 -3.477 -6.124 784 1HD1 LEU 97 1HD1 LEU 97 -1.147 -3.619 -5.063 785 2HD1 LEU 97 2HD1 LEU 97 -0.511 -4.069 -6.644 786 3HD1 LEU 97 3HD1 LEU 97 -0.932 -5.322 -5.476 787 1HD2 LEU 97 1HD2 LEU 97 -3.559 -4.228 -8.329 788 2HD2 LEU 97 2HD2 LEU 97 -2.260 -5.418 -8.261 789 3HD2 LEU 97 3HD2 LEU 97 -1.879 -3.699 -8.302 790 H LEU 98 H LEU 98 -6.367 -6.599 -5.597 791 HA LEU 98 HA LEU 98 -5.897 -9.062 -4.242 792 1HB LEU 98 2HB LEU 98 -8.454 -7.507 -4.667 793 2HB LEU 98 1HB LEU 98 -8.323 -8.925 -3.647 794 HG LEU 98 HG LEU 98 -8.157 -7.260 -2.080 795 1HD1 LEU 98 1HD1 LEU 98 -5.258 -7.175 -2.779 796 2HD1 LEU 98 2HD1 LEU 98 -5.995 -8.700 -2.288 797 3HD1 LEU 98 3HD1 LEU 98 -6.031 -7.312 -1.200 798 1HD2 LEU 98 1HD2 LEU 98 -6.395 -5.566 -3.812 799 2HD2 LEU 98 2HD2 LEU 98 -7.346 -5.090 -2.405 800 3HD2 LEU 98 3HD2 LEU 98 -8.153 -5.500 -3.919 801 H SER 99 H SER 99 -7.903 -8.146 -7.025 802 HA SER 99 HA SER 99 -9.126 -10.539 -7.591 803 1HB SER 99 2HB SER 99 -9.627 -8.529 -8.859 804 2HB SER 99 1HB SER 99 -8.002 -8.519 -9.542 805 HG SER 99 HG SER 99 -8.755 -9.770 -11.040 806 H GLN 100 H GLN 100 -5.936 -9.453 -8.713 807 HA GLN 100 HA GLN 100 -5.310 -11.916 -10.017 808 1HB GLN 100 2HB GLN 100 -3.694 -9.524 -9.193 809 2HB GLN 100 1HB GLN 100 -2.955 -10.918 -9.966 810 1HG GLN 100 2HG GLN 100 -4.448 -10.604 -11.898 811 2HG GLN 100 1HG GLN 100 -5.112 -9.166 -11.125 812 1HE2 GLN 100 1HE2 GLN 100 -3.895 -7.298 -11.039 813 2HE2 GLN 100 2HE2 GLN 100 -2.456 -7.079 -11.968 814 H MET 101 H MET 101 -4.633 -10.514 -6.868 815 HA MET 101 HA MET 101 -2.655 -12.026 -5.828 816 1HB MET 101 2HB MET 101 -4.662 -10.401 -4.793 817 2HB MET 101 1HB MET 101 -4.856 -11.919 -3.934 818 1HG MET 101 2HG MET 101 -2.629 -11.834 -3.118 819 2HG MET 101 1HG MET 101 -2.231 -10.483 -4.178 820 1HE MET 101 1HE MET 101 -1.921 -8.210 -3.139 821 2HE MET 101 2HE MET 101 -3.308 -7.413 -2.397 822 3HE MET 101 3HE MET 101 -3.458 -8.130 -4.003 823 H LYS 102 H LYS 102 -6.077 -12.985 -5.481 824 HA LYS 102 HA LYS 102 -5.613 -15.672 -6.233 825 1HB LYS 102 2HB LYS 102 -4.436 -15.611 -4.016 826 2HB LYS 102 1HB LYS 102 -5.989 -15.269 -3.265 827 1HG LYS 102 2HG LYS 102 -6.203 -17.470 -3.048 828 2HG LYS 102 1HG LYS 102 -6.516 -17.499 -4.785 829 1HD LYS 102 2HD LYS 102 -3.876 -17.539 -4.901 830 2HD LYS 102 1HD LYS 102 -4.049 -18.215 -3.280 831 1HE LYS 102 2HE LYS 102 -5.747 -19.338 -5.443 832 2HE LYS 102 1HE LYS 102 -4.030 -19.738 -5.456 833 1HZ LYS 102 1HZ LYS 102 -4.202 -20.946 -3.559 834 2HZ LYS 102 2HZ LYS 102 -5.781 -21.162 -4.124 835 3HZ LYS 102 3HZ LYS 102 -5.464 -20.014 -2.924 836 H ILE 103 H ILE 103 -7.520 -13.552 -6.710 837 HA ILE 103 HA ILE 103 -9.964 -14.741 -5.563 838 HB ILE 103 HB ILE 103 -9.371 -11.988 -6.599 839 1HG1 ILE 103 2HG1 ILE 103 -10.263 -11.291 -4.454 840 2HG1 ILE 103 1HG1 ILE 103 -10.745 -12.943 -4.082 841 1HG2 ILE 103 1HG2 ILE 103 -12.087 -13.244 -6.275 842 2HG2 ILE 103 2HG2 ILE 103 -11.406 -12.501 -7.722 843 3HG2 ILE 103 3HG2 ILE 103 -11.820 -11.501 -6.329 844 1HD1 ILE 103 1HD1 ILE 103 -8.644 -13.573 -3.522 845 2HD1 ILE 103 2HD1 ILE 103 -8.524 -11.856 -3.137 846 3HD1 ILE 103 3HD1 ILE 103 -7.884 -12.464 -4.663 847 H MET 104 H MET 104 -9.092 -13.068 -8.598 848 HA MET 104 HA MET 104 -11.086 -14.311 -10.138 849 1HB MET 104 2HB MET 104 -9.624 -12.214 -10.636 850 2HB MET 104 1HB MET 104 -8.496 -13.370 -11.329 851 1HG MET 104 2HG MET 104 -9.852 -13.856 -13.089 852 2HG MET 104 1HG MET 104 -11.329 -13.514 -12.191 853 1HE MET 104 1HE MET 104 -8.167 -11.470 -12.326 854 2HE MET 104 2HE MET 104 -8.553 -10.047 -13.292 855 3HE MET 104 3HE MET 104 -8.216 -11.584 -14.085 856 H MET 105 H MET 105 -10.864 -15.902 -11.816 857 HA MET 105 HA MET 105 -9.188 -18.110 -10.990 858 1HB MET 105 2HB MET 105 -11.674 -18.114 -11.891 859 2HB MET 105 1HB MET 105 -10.873 -18.211 -13.452 860 1HG MET 105 2HG MET 105 -10.318 -20.349 -13.169 861 2HG MET 105 1HG MET 105 -9.815 -20.095 -11.498 862 1HE MET 105 1HE MET 105 -10.656 -21.016 -9.781 863 2HE MET 105 2HE MET 105 -12.184 -21.868 -9.558 864 3HE MET 105 3HE MET 105 -12.111 -20.119 -9.343 865 H ALA 106 H ALA 106 -7.133 -17.132 -11.499 866 HA ALA 106 HA ALA 106 -6.551 -16.946 -14.375 867 1HB ALA 106 1HB ALA 106 -5.486 -15.593 -11.980 868 2HB ALA 106 2HB ALA 106 -5.706 -14.992 -13.623 869 3HB ALA 106 3HB ALA 106 -4.310 -15.997 -13.232 870 H SER 107 H SER 107 -5.142 -18.298 -15.344 871 HA SER 107 HA SER 107 -3.798 -20.295 -13.641 872 1HB SER 107 2HB SER 107 -5.457 -20.589 -16.063 873 2HB SER 107 1HB SER 107 -3.965 -21.530 -16.069 874 HG SER 107 HG SER 107 -6.225 -21.792 -14.496 Start of MODEL 8 1 1H TRP 1 1HT TRP 1 1.304 -17.417 -1.664 2 2H TRP 1 2HT TRP 1 1.943 -17.935 -3.170 3 3H TRP 1 3HT TRP 1 2.988 -17.681 -1.835 4 HA TRP 1 HA TRP 1 0.874 -19.713 -2.045 5 1HB TRP 1 2HB TRP 1 3.372 -19.675 -3.206 6 2HB TRP 1 1HB TRP 1 3.660 -20.548 -1.705 7 HD1 TRP 1 HD TRP 1 1.455 -20.751 -4.870 8 HE1 TRP 1 1HE TRP 1 0.813 -23.214 -5.244 9 HE3 TRP 1 3HE TRP 1 3.468 -22.768 -0.624 10 HZ2 TRP 1 2HZ TRP 1 1.119 -25.686 -3.916 11 HZ3 TRP 1 3HZ TRP 1 3.248 -25.190 -0.252 12 HH2 TRP 1 HH TRP 1 2.097 -26.617 -1.864 13 H VAL 2 H VAL 2 3.462 -18.232 -0.097 14 HA VAL 2 HA VAL 2 2.495 -19.794 2.198 15 HB VAL 2 HB VAL 2 5.080 -18.261 1.872 16 1HG1 VAL 2 1HG1 VAL 2 4.795 -18.120 4.137 17 2HG1 VAL 2 2HG1 VAL 2 5.557 -19.706 4.029 18 3HG1 VAL 2 3HG1 VAL 2 3.809 -19.580 4.218 19 1HG2 VAL 2 1HG2 VAL 2 4.468 -20.676 0.806 20 2HG2 VAL 2 2HG2 VAL 2 5.108 -21.159 2.377 21 3HG2 VAL 2 3HG2 VAL 2 6.093 -20.185 1.284 22 H GLN 3 H GLN 3 0.728 -18.575 2.672 23 HA GLN 3 HA GLN 3 1.172 -16.110 4.094 24 1HB GLN 3 2HB GLN 3 -1.024 -15.282 3.149 25 2HB GLN 3 1HB GLN 3 0.314 -15.313 2.015 26 1HG GLN 3 2HG GLN 3 -1.687 -17.540 2.210 27 2HG GLN 3 1HG GLN 3 -1.921 -16.136 1.173 28 1HE2 GLN 3 1HE2 GLN 3 -1.836 -18.687 0.156 29 2HE2 GLN 3 2HE2 GLN 3 -0.405 -18.880 -0.794 30 HA PRO 4 HA PRO 4 -1.076 -19.386 6.572 31 1HB PRO 4 2HB PRO 4 0.054 -17.596 8.675 32 2HB PRO 4 1HB PRO 4 -0.016 -19.362 8.618 33 1HG PRO 4 2HG PRO 4 2.269 -18.106 8.130 34 2HG PRO 4 1HG PRO 4 1.796 -19.518 7.165 35 1HD PRO 4 2HD PRO 4 1.698 -16.622 6.458 36 2HD PRO 4 1HD PRO 4 2.116 -18.011 5.440 37 H ILE 5 H ILE 5 -3.064 -18.529 5.811 38 HA ILE 5 HA ILE 5 -4.178 -16.386 7.500 39 HB ILE 5 HB ILE 5 -4.024 -15.690 5.161 40 1HG1 ILE 5 2HG1 ILE 5 -6.915 -16.272 5.803 41 2HG1 ILE 5 1HG1 ILE 5 -5.979 -15.039 6.643 42 1HG2 ILE 5 1HG2 ILE 5 -4.248 -18.115 4.330 43 2HG2 ILE 5 2HG2 ILE 5 -4.969 -16.828 3.365 44 3HG2 ILE 5 3HG2 ILE 5 -5.986 -17.824 4.406 45 1HD1 ILE 5 1HD1 ILE 5 -5.893 -14.864 3.721 46 2HD1 ILE 5 2HD1 ILE 5 -6.115 -13.604 4.934 47 3HD1 ILE 5 3HD1 ILE 5 -7.482 -14.603 4.439 48 H THR 6 H THR 6 -5.365 -17.342 9.034 49 HA THR 6 HA THR 6 -6.658 -19.860 8.679 50 HB THR 6 HB THR 6 -7.807 -19.065 10.906 51 HG1 THR 6 1HG THR 6 -6.704 -17.430 11.926 52 1HG2 THR 6 1HG2 THR 6 -4.828 -19.483 10.820 53 2HG2 THR 6 2HG2 THR 6 -6.045 -20.760 10.835 54 3HG2 THR 6 3HG2 THR 6 -5.878 -19.685 12.224 55 H ALA 7 H ALA 7 -8.323 -20.037 7.316 56 HA ALA 7 HA ALA 7 -10.353 -19.712 6.334 57 1HB ALA 7 1HB ALA 7 -11.246 -19.840 8.573 58 2HB ALA 7 2HB ALA 7 -12.106 -18.590 7.676 59 3HB ALA 7 3HB ALA 7 -10.875 -18.139 8.855 60 H GLN 8 H GLN 8 -11.858 -17.950 5.474 61 HA GLN 8 HA GLN 8 -10.333 -16.061 4.068 62 1HB GLN 8 2HB GLN 8 -13.076 -16.911 4.161 63 2HB GLN 8 1HB GLN 8 -13.013 -15.154 4.115 64 1HG GLN 8 2HG GLN 8 -12.829 -15.363 1.914 65 2HG GLN 8 1HG GLN 8 -11.172 -15.886 2.212 66 1HE2 GLN 8 1HE2 GLN 8 -14.275 -16.778 1.119 67 2HE2 GLN 8 2HE2 GLN 8 -13.930 -18.434 0.762 68 H LYS 9 H LYS 9 -9.136 -14.825 5.484 69 HA LYS 9 HA LYS 9 -10.663 -12.755 6.905 70 1HB LYS 9 2HB LYS 9 -8.287 -14.324 7.897 71 2HB LYS 9 1HB LYS 9 -8.722 -12.764 8.579 72 1HG LYS 9 2HG LYS 9 -10.722 -14.985 8.419 73 2HG LYS 9 1HG LYS 9 -9.557 -14.892 9.742 74 1HD LYS 9 2HD LYS 9 -10.391 -12.765 10.428 75 2HD LYS 9 1HD LYS 9 -11.389 -12.627 8.979 76 1HE LYS 9 2HE LYS 9 -11.847 -15.004 10.672 77 2HE LYS 9 1HE LYS 9 -12.331 -13.453 11.354 78 1HZ LYS 9 1HZ LYS 9 -13.132 -14.011 8.602 79 2HZ LYS 9 2HZ LYS 9 -13.960 -13.186 9.824 80 3HZ LYS 9 3HZ LYS 9 -13.924 -14.875 9.823 81 HA PRO 10 HA PRO 10 -7.869 -9.971 4.924 82 1HB PRO 10 2HB PRO 10 -7.753 -8.042 6.991 83 2HB PRO 10 1HB PRO 10 -8.904 -8.108 5.659 84 1HG PRO 10 2HG PRO 10 -9.497 -8.475 8.369 85 2HG PRO 10 1HG PRO 10 -10.548 -8.887 7.005 86 1HD PRO 10 2HD PRO 10 -8.788 -10.643 8.646 87 2HD PRO 10 1HD PRO 10 -10.345 -11.006 7.871 88 H SER 11 H SER 11 -6.340 -12.007 6.071 89 HA SER 11 HA SER 11 -3.894 -10.556 6.612 90 1HB SER 11 2HB SER 11 -3.459 -12.108 8.638 91 2HB SER 11 1HB SER 11 -4.504 -10.706 8.867 92 HG SER 11 HG SER 11 -5.605 -12.384 9.736 93 H LEU 12 H LEU 12 -2.583 -11.411 5.134 94 HA LEU 12 HA LEU 12 -2.187 -14.300 5.123 95 1HB LEU 12 2HB LEU 12 -2.932 -14.684 3.052 96 2HB LEU 12 1HB LEU 12 -3.759 -13.149 3.194 97 HG LEU 12 HG LEU 12 -1.020 -13.496 1.971 98 1HD1 LEU 12 1HD1 LEU 12 -2.140 -14.398 0.259 99 2HD1 LEU 12 2HD1 LEU 12 -2.713 -12.759 -0.043 100 3HD1 LEU 12 3HD1 LEU 12 -3.705 -13.881 0.886 101 1HD2 LEU 12 1HD2 LEU 12 -2.576 -11.189 2.756 102 2HD2 LEU 12 2HD2 LEU 12 -2.233 -11.180 1.025 103 3HD2 LEU 12 3HD2 LEU 12 -0.911 -11.284 2.184 104 H THR 13 H THR 13 -0.060 -14.879 4.792 105 HA THR 13 HA THR 13 1.795 -12.712 4.835 106 HB THR 13 HB THR 13 2.402 -15.638 4.989 107 HG1 THR 13 1HG THR 13 2.215 -13.724 7.068 108 1HG2 THR 13 1HG2 THR 13 4.329 -14.183 4.360 109 2HG2 THR 13 2HG2 THR 13 4.517 -15.065 5.876 110 3HG2 THR 13 3HG2 THR 13 4.112 -13.348 5.900 111 H LEU 14 H LEU 14 2.563 -11.754 3.182 112 HA LEU 14 HA LEU 14 3.638 -13.291 0.952 113 1HB LEU 14 2HB LEU 14 1.882 -10.880 0.504 114 2HB LEU 14 1HB LEU 14 2.655 -11.853 -0.725 115 HG LEU 14 HG LEU 14 0.387 -12.709 1.069 116 1HD1 LEU 14 1HD1 LEU 14 -0.722 -11.493 -0.489 117 2HD1 LEU 14 2HD1 LEU 14 -0.553 -12.983 -1.418 118 3HD1 LEU 14 3HD1 LEU 14 0.565 -11.646 -1.683 119 1HD2 LEU 14 1HD2 LEU 14 0.500 -14.824 0.285 120 2HD2 LEU 14 2HD2 LEU 14 2.215 -14.431 0.202 121 3HD2 LEU 14 3HD2 LEU 14 1.216 -14.341 -1.245 122 H TRP 15 H TRP 15 5.120 -11.861 -0.384 123 HA TRP 15 HA TRP 15 6.352 -9.964 1.464 124 1HB TRP 15 2HB TRP 15 8.401 -10.543 0.705 125 2HB TRP 15 1HB TRP 15 7.548 -12.024 0.329 126 HD1 TRP 15 HD TRP 15 6.291 -10.430 -2.477 127 HE1 TRP 15 1HE TRP 15 7.894 -10.466 -4.486 128 HE3 TRP 15 3HE TRP 15 10.682 -11.468 -0.061 129 HZ2 TRP 15 2HZ TRP 15 10.620 -10.867 -5.006 130 HZ3 TRP 15 3HZ TRP 15 12.733 -11.662 -1.396 131 HH2 TRP 15 HH TRP 15 12.706 -11.371 -3.814 132 H LEU 16 H LEU 16 7.017 -7.962 0.909 133 HA LEU 16 HA LEU 16 5.954 -6.866 -1.606 134 1HB LEU 16 2HB LEU 16 5.392 -4.788 -0.220 135 2HB LEU 16 1HB LEU 16 4.321 -6.171 -0.103 136 HG LEU 16 HG LEU 16 6.136 -6.586 1.954 137 1HD1 LEU 16 1HD1 LEU 16 5.872 -3.714 1.391 138 2HD1 LEU 16 2HD1 LEU 16 7.117 -4.591 2.279 139 3HD1 LEU 16 3HD1 LEU 16 5.591 -4.187 3.067 140 1HD2 LEU 16 1HD2 LEU 16 3.685 -6.958 1.943 141 2HD2 LEU 16 2HD2 LEU 16 3.454 -5.222 2.141 142 3HD2 LEU 16 3HD2 LEU 16 4.264 -6.153 3.401 143 H ASP 17 H ASP 17 7.090 -5.154 -2.503 144 HA ASP 17 HA ASP 17 8.896 -3.865 -3.005 145 1HB ASP 17 2HB ASP 17 9.328 -3.939 -0.010 146 2HB ASP 17 1HB ASP 17 10.197 -2.887 -1.124 147 H ASP 18 H ASP 18 10.247 -5.669 -0.255 148 HA ASP 18 HA ASP 18 11.674 -7.525 -1.863 149 1HB ASP 18 2HB ASP 18 13.964 -6.685 -1.342 150 2HB ASP 18 1HB ASP 18 13.063 -5.625 -2.422 151 H LYS 19 H LYS 19 9.976 -7.634 0.388 152 HA LYS 19 HA LYS 19 11.510 -9.323 2.090 153 1HB LYS 19 2HB LYS 19 11.226 -8.072 4.180 154 2HB LYS 19 1HB LYS 19 12.220 -7.182 3.032 155 1HG LYS 19 2HG LYS 19 9.325 -6.600 2.995 156 2HG LYS 19 1HG LYS 19 10.224 -6.073 4.418 157 1HD LYS 19 2HD LYS 19 11.889 -5.273 2.432 158 2HD LYS 19 1HD LYS 19 10.319 -5.091 1.648 159 1HE LYS 19 2HE LYS 19 9.728 -3.950 3.976 160 2HE LYS 19 1HE LYS 19 11.466 -3.650 3.976 161 1HZ LYS 19 1HZ LYS 19 9.459 -2.277 2.576 162 2HZ LYS 19 2HZ LYS 19 10.485 -3.001 1.443 163 3HZ LYS 19 3HZ LYS 19 11.122 -1.958 2.613 164 H MET 20 H MET 20 10.221 -10.648 3.352 165 HA MET 20 HA MET 20 7.495 -10.854 2.551 166 1HB MET 20 2HB MET 20 9.410 -12.535 3.767 167 2HB MET 20 1HB MET 20 8.044 -12.437 4.869 168 1HG MET 20 2HG MET 20 7.064 -13.998 3.651 169 2HG MET 20 1HG MET 20 6.881 -12.790 2.382 170 1HE MET 20 1HE MET 20 6.736 -13.877 0.597 171 2HE MET 20 2HE MET 20 7.439 -15.457 0.250 172 3HE MET 20 3HE MET 20 8.192 -13.997 -0.393 173 H PHE 21 H PHE 21 5.625 -10.697 3.827 174 HA PHE 21 HA PHE 21 5.634 -9.796 6.514 175 1HB PHE 21 2HB PHE 21 5.953 -7.768 4.523 176 2HB PHE 21 1HB PHE 21 4.360 -7.589 5.249 177 HD1 PHE 21 1HD PHE 21 7.174 -6.001 5.403 178 HD2 PHE 21 2HD PHE 21 4.904 -8.484 8.009 179 HE1 PHE 21 1HE PHE 21 8.192 -4.886 7.347 180 HE2 PHE 21 2HE PHE 21 5.916 -7.372 9.958 181 HZ PHE 21 HZ PHE 21 7.563 -5.570 9.627 182 H THR 22 H THR 22 3.267 -8.724 6.921 183 HA THR 22 HA THR 22 1.372 -10.505 5.533 184 HB THR 22 HB THR 22 0.873 -9.488 8.305 185 HG1 THR 22 1HG THR 22 2.865 -10.436 8.519 186 1HG2 THR 22 1HG2 THR 22 -0.963 -10.647 7.313 187 2HG2 THR 22 2HG2 THR 22 -0.243 -11.684 8.545 188 3HG2 THR 22 3HG2 THR 22 0.080 -11.989 6.839 189 H GLY 23 H GLY 23 -0.363 -9.619 4.596 190 1HA GLY 23 2HA GLY 23 -0.987 -6.801 5.233 191 2HA GLY 23 1HA GLY 23 -0.963 -7.399 3.582 192 H LEU 24 H LEU 24 -3.220 -6.349 3.867 193 HA LEU 24 HA LEU 24 -5.078 -8.389 4.893 194 1HB LEU 24 2HB LEU 24 -6.706 -6.286 4.646 195 2HB LEU 24 1HB LEU 24 -5.803 -6.632 6.105 196 HG LEU 24 HG LEU 24 -5.758 -4.249 5.476 197 1HD1 LEU 24 1HD1 LEU 24 -3.651 -5.826 6.336 198 2HD1 LEU 24 2HD1 LEU 24 -3.781 -4.073 6.463 199 3HD1 LEU 24 3HD1 LEU 24 -2.948 -4.798 5.086 200 1HD2 LEU 24 1HD2 LEU 24 -4.428 -5.302 2.999 201 2HD2 LEU 24 2HD2 LEU 24 -4.235 -3.639 3.543 202 3HD2 LEU 24 3HD2 LEU 24 -5.835 -4.251 3.128 203 H ILE 25 H ILE 25 -6.714 -9.153 3.636 204 HA ILE 25 HA ILE 25 -6.632 -8.373 0.796 205 HB ILE 25 HB ILE 25 -7.749 -10.983 1.770 206 1HG1 ILE 25 2HG1 ILE 25 -5.460 -10.835 2.654 207 2HG1 ILE 25 1HG1 ILE 25 -5.569 -12.033 1.367 208 1HG2 ILE 25 1HG2 ILE 25 -7.750 -11.613 -0.411 209 2HG2 ILE 25 2HG2 ILE 25 -6.328 -10.647 -0.806 210 3HG2 ILE 25 3HG2 ILE 25 -7.903 -9.870 -0.636 211 1HD1 ILE 25 1HD1 ILE 25 -4.022 -10.989 0.178 212 2HD1 ILE 25 2HD1 ILE 25 -3.745 -9.958 1.580 213 3HD1 ILE 25 3HD1 ILE 25 -4.863 -9.445 0.317 214 H ASN 26 H ASN 26 -8.332 -7.226 0.150 215 HA ASN 26 HA ASN 26 -10.946 -7.777 1.397 216 1HB ASN 26 2HB ASN 26 -11.478 -5.355 0.785 217 2HB ASN 26 1HB ASN 26 -10.358 -5.604 2.121 218 1HD2 ASN 26 1HD2 ASN 26 -9.775 -3.374 1.636 219 2HD2 ASN 26 2HD2 ASN 26 -8.596 -3.068 0.412 220 H THR 27 H THR 27 -12.250 -8.765 0.025 221 HA THR 27 HA THR 27 -11.804 -8.779 -2.795 222 HB THR 27 HB THR 27 -12.707 -10.725 -1.601 223 HG1 THR 27 1HG THR 27 -13.391 -11.038 -3.560 224 1HG2 THR 27 1HG2 THR 27 -14.774 -10.850 -0.605 225 2HG2 THR 27 2HG2 THR 27 -15.374 -9.407 -1.424 226 3HG2 THR 27 3HG2 THR 27 -14.217 -9.254 -0.101 227 H GLY 28 H GLY 28 -12.911 -6.301 -1.071 228 1HA GLY 28 2HA GLY 28 -14.848 -5.517 -3.155 229 2HA GLY 28 1HA GLY 28 -15.080 -5.105 -1.462 230 H ALA 29 H ALA 29 -11.904 -5.035 -2.854 231 HA ALA 29 HA ALA 29 -11.478 -2.336 -2.125 232 1HB ALA 29 1HB ALA 29 -9.499 -3.455 -2.131 233 2HB ALA 29 2HB ALA 29 -9.419 -2.768 -3.754 234 3HB ALA 29 3HB ALA 29 -9.931 -4.441 -3.529 235 H ASP 30 H ASP 30 -10.947 -0.568 -3.531 236 HA ASP 30 HA ASP 30 -12.093 -0.725 -6.232 237 1HB ASP 30 2HB ASP 30 -13.099 1.525 -5.901 238 2HB ASP 30 1HB ASP 30 -13.802 0.302 -4.845 239 H VAL 31 H VAL 31 -10.136 1.122 -3.949 240 HA VAL 31 HA VAL 31 -8.156 1.619 -6.017 241 HB VAL 31 HB VAL 31 -9.606 3.590 -6.180 242 1HG1 VAL 31 1HG1 VAL 31 -10.301 3.359 -3.701 243 2HG1 VAL 31 2HG1 VAL 31 -10.182 4.970 -4.409 244 3HG1 VAL 31 3HG1 VAL 31 -8.885 4.360 -3.381 245 1HG2 VAL 31 1HG2 VAL 31 -6.803 3.722 -5.318 246 2HG2 VAL 31 2HG2 VAL 31 -7.690 5.239 -5.177 247 3HG2 VAL 31 3HG2 VAL 31 -7.591 4.416 -6.734 248 H THR 32 H THR 32 -6.506 0.612 -5.011 249 HA THR 32 HA THR 32 -6.112 0.192 -2.344 250 HB THR 32 HB THR 32 -4.710 -1.002 -3.773 251 HG1 THR 32 1HG THR 32 -3.588 -0.338 -1.917 252 1HG2 THR 32 1HG2 THR 32 -4.469 0.032 -5.771 253 2HG2 THR 32 2HG2 THR 32 -2.887 0.359 -5.067 254 3HG2 THR 32 3HG2 THR 32 -4.136 1.604 -5.047 255 H ILE 33 H ILE 33 -5.568 1.300 -0.654 256 HA ILE 33 HA ILE 33 -4.120 3.838 -0.922 257 HB ILE 33 HB ILE 33 -6.375 3.656 1.049 258 1HG1 ILE 33 2HG1 ILE 33 -7.363 3.245 -1.167 259 2HG1 ILE 33 1HG1 ILE 33 -7.846 4.810 -0.525 260 1HG2 ILE 33 1HG2 ILE 33 -6.155 5.967 1.224 261 2HG2 ILE 33 2HG2 ILE 33 -5.317 6.100 -0.323 262 3HG2 ILE 33 3HG2 ILE 33 -4.491 5.402 1.069 263 1HD1 ILE 33 1HD1 ILE 33 -6.906 4.371 -3.035 264 2HD1 ILE 33 2HD1 ILE 33 -5.452 4.903 -2.192 265 3HD1 ILE 33 3HD1 ILE 33 -6.889 5.924 -2.202 266 H ILE 34 H ILE 34 -2.300 3.517 0.187 267 HA ILE 34 HA ILE 34 -2.463 2.085 2.757 268 HB ILE 34 HB ILE 34 -0.946 1.269 0.702 269 1HG1 ILE 34 2HG1 ILE 34 0.698 0.581 2.764 270 2HG1 ILE 34 1HG1 ILE 34 -0.756 1.058 3.636 271 1HG2 ILE 34 1HG2 ILE 34 0.333 3.371 0.616 272 2HG2 ILE 34 2HG2 ILE 34 1.358 1.979 0.966 273 3HG2 ILE 34 3HG2 ILE 34 0.888 3.079 2.265 274 1HD1 ILE 34 1HD1 ILE 34 -1.250 -1.117 3.325 275 2HD1 ILE 34 2HD1 ILE 34 -0.275 -1.245 1.862 276 3HD1 ILE 34 3HD1 ILE 34 -1.873 -0.503 1.793 277 H LYS 35 H LYS 35 -1.916 3.191 4.536 278 HA LYS 35 HA LYS 35 -1.573 5.943 4.492 279 1HB LYS 35 2HB LYS 35 -0.664 5.446 6.935 280 2HB LYS 35 1HB LYS 35 -2.353 5.289 6.514 281 1HG LYS 35 2HG LYS 35 -1.440 3.440 7.903 282 2HG LYS 35 1HG LYS 35 -2.220 2.935 6.406 283 1HD LYS 35 2HD LYS 35 -0.035 2.686 5.344 284 2HD LYS 35 1HD LYS 35 0.754 3.229 6.827 285 1HE LYS 35 2HE LYS 35 0.848 1.076 7.405 286 2HE LYS 35 1HE LYS 35 -0.890 1.191 7.688 287 1HZ LYS 35 1HZ LYS 35 -1.292 0.435 5.448 288 2HZ LYS 35 2HZ LYS 35 -0.299 -0.676 6.247 289 3HZ LYS 35 3HZ LYS 35 0.367 0.391 5.117 290 H LEU 36 H LEU 36 0.198 7.162 5.488 291 HA LEU 36 HA LEU 36 2.571 6.816 4.001 292 1HB LEU 36 2HB LEU 36 1.384 8.853 5.430 293 2HB LEU 36 1HB LEU 36 2.825 8.500 6.366 294 HG LEU 36 HG LEU 36 2.850 9.088 3.408 295 1HD1 LEU 36 1HD1 LEU 36 3.608 10.964 5.631 296 2HD1 LEU 36 2HD1 LEU 36 2.039 10.990 4.828 297 3HD1 LEU 36 3HD1 LEU 36 3.506 11.309 3.906 298 1HD2 LEU 36 1HD2 LEU 36 4.844 8.259 5.370 299 2HD2 LEU 36 2HD2 LEU 36 5.306 9.688 4.447 300 3HD2 LEU 36 3HD2 LEU 36 4.884 8.195 3.609 301 H GLU 37 H GLU 37 1.588 5.731 7.136 302 HA GLU 37 HA GLU 37 4.051 5.367 8.388 303 1HB GLU 37 2HB GLU 37 1.518 3.736 8.615 304 2HB GLU 37 1HB GLU 37 2.888 3.597 9.709 305 1HG GLU 37 2HG GLU 37 2.538 5.723 10.606 306 2HG GLU 37 1HG GLU 37 1.504 6.216 9.266 307 H ASP 38 H ASP 38 2.717 3.694 5.697 308 HA ASP 38 HA ASP 38 4.709 1.551 6.013 309 1HB ASP 38 2HB ASP 38 1.933 1.529 5.216 310 2HB ASP 38 1HB ASP 38 2.943 0.821 3.960 311 H TRP 39 H TRP 39 5.071 4.308 4.837 312 HA TRP 39 HA TRP 39 5.681 3.587 2.066 313 1HB TRP 39 2HB TRP 39 4.787 5.624 1.729 314 2HB TRP 39 1HB TRP 39 4.960 6.078 3.418 315 HD1 TRP 39 HD TRP 39 6.697 6.355 0.042 316 HE1 TRP 39 1HE TRP 39 8.635 8.030 0.226 317 HE3 TRP 39 3HE TRP 39 6.673 7.073 5.105 318 HZ2 TRP 39 2HZ TRP 39 9.976 9.479 2.247 319 HZ3 TRP 39 3HZ TRP 39 8.317 8.620 6.083 320 HH2 TRP 39 HH TRP 39 9.934 9.798 4.682 321 HA PRO 40 HA PRO 40 10.000 3.146 2.906 322 1HB PRO 40 2HB PRO 40 11.022 3.647 0.458 323 2HB PRO 40 1HB PRO 40 10.111 2.178 0.821 324 1HG PRO 40 2HG PRO 40 9.167 4.703 -0.484 325 2HG PRO 40 1HG PRO 40 8.888 3.023 -0.979 326 1HD PRO 40 2HD PRO 40 7.038 4.434 0.381 327 2HD PRO 40 1HD PRO 40 7.255 2.689 0.620 328 HA PRO 41 HA PRO 41 11.267 7.405 3.647 329 1HB PRO 41 2HB PRO 41 13.692 6.285 4.817 330 2HB PRO 41 1HB PRO 41 12.382 7.165 5.606 331 1HG PRO 41 2HG PRO 41 12.835 4.522 6.009 332 2HG PRO 41 1HG PRO 41 11.223 5.253 6.110 333 1HD PRO 41 2HD PRO 41 12.461 3.684 3.879 334 2HD PRO 41 1HD PRO 41 10.801 3.630 4.514 335 H ASN 42 H ASN 42 12.791 5.028 1.745 336 HA ASN 42 HA ASN 42 15.237 6.082 1.061 337 1HB ASN 42 2HB ASN 42 14.154 3.910 0.270 338 2HB ASN 42 1HB ASN 42 13.365 4.878 -0.972 339 1HD2 ASN 42 1HD2 ASN 42 16.217 3.301 -0.001 340 2HD2 ASN 42 2HD2 ASN 42 17.199 3.737 -1.353 341 H TRP 43 H TRP 43 12.082 6.865 -0.384 342 HA TRP 43 HA TRP 43 13.312 9.308 -1.475 343 1HB TRP 43 2HB TRP 43 11.971 9.158 -3.438 344 2HB TRP 43 1HB TRP 43 12.690 7.570 -3.203 345 HD1 TRP 43 HD TRP 43 9.316 9.357 -2.531 346 HE1 TRP 43 1HE TRP 43 7.432 7.617 -2.745 347 HE3 TRP 43 3HE TRP 43 12.158 5.183 -3.316 348 HZ2 TRP 43 2HZ TRP 43 7.186 4.852 -3.191 349 HZ3 TRP 43 3HZ TRP 43 11.015 3.025 -3.627 350 HH2 TRP 43 HH TRP 43 8.578 2.871 -3.564 351 HA PRO 44 HA PRO 44 10.259 11.454 0.921 352 1HB PRO 44 2HB PRO 44 10.404 13.673 -0.963 353 2HB PRO 44 1HB PRO 44 10.930 13.608 0.718 354 1HG PRO 44 2HG PRO 44 12.667 13.743 -1.362 355 2HG PRO 44 1HG PRO 44 13.052 12.940 0.169 356 1HD PRO 44 2HD PRO 44 12.255 11.748 -2.453 357 2HD PRO 44 1HD PRO 44 13.430 11.165 -1.256 358 H ILE 45 H ILE 45 8.079 12.115 0.817 359 HA ILE 45 HA ILE 45 6.791 11.758 -1.801 360 HB ILE 45 HB ILE 45 4.848 10.728 -0.467 361 1HG1 ILE 45 2HG1 ILE 45 6.331 9.257 1.368 362 2HG1 ILE 45 1HG1 ILE 45 6.908 10.904 1.581 363 1HG2 ILE 45 1HG2 ILE 45 5.965 8.452 -0.609 364 2HG2 ILE 45 2HG2 ILE 45 7.404 9.319 -1.145 365 3HG2 ILE 45 3HG2 ILE 45 5.914 9.417 -2.084 366 1HD1 ILE 45 1HD1 ILE 45 4.301 9.718 2.204 367 2HD1 ILE 45 2HD1 ILE 45 4.268 11.342 1.518 368 3HD1 ILE 45 3HD1 ILE 45 5.181 11.027 2.992 369 H THR 46 H THR 46 4.369 12.323 -1.570 370 HA THR 46 HA THR 46 4.219 15.090 -0.973 371 HB THR 46 HB THR 46 1.632 14.349 -1.408 372 HG1 THR 46 1HG THR 46 1.758 12.729 -3.021 373 1HG2 THR 46 1HG2 THR 46 3.291 15.893 -2.718 374 2HG2 THR 46 2HG2 THR 46 1.852 15.242 -3.502 375 3HG2 THR 46 3HG2 THR 46 3.422 14.490 -3.775 376 H ASP 47 H ASP 47 1.956 15.767 0.152 377 HA ASP 47 HA ASP 47 0.968 14.423 2.347 378 1HB ASP 47 2HB ASP 47 3.592 15.056 2.862 379 2HB ASP 47 1HB ASP 47 2.720 16.416 3.573 380 H THR 48 H THR 48 1.901 17.558 1.012 381 HA THR 48 HA THR 48 -0.566 18.675 2.170 382 HB THR 48 HB THR 48 1.234 19.594 3.439 383 HG1 THR 48 1HG THR 48 0.497 21.521 1.499 384 1HG2 THR 48 1HG2 THR 48 2.493 20.590 0.901 385 2HG2 THR 48 2HG2 THR 48 3.044 19.167 1.784 386 3HG2 THR 48 3HG2 THR 48 3.102 20.756 2.548 387 H LEU 49 H LEU 49 -1.952 19.099 0.629 388 HA LEU 49 HA LEU 49 -0.997 20.487 -1.769 389 1HB LEU 49 2HB LEU 49 -2.000 19.143 -3.261 390 2HB LEU 49 1HB LEU 49 -1.817 17.971 -1.992 391 HG LEU 49 HG LEU 49 -3.931 17.521 -2.631 392 1HD1 LEU 49 1HD1 LEU 49 -3.715 18.683 -0.236 393 2HD1 LEU 49 2HD1 LEU 49 -5.185 17.931 -0.850 394 3HD1 LEU 49 3HD1 LEU 49 -4.968 19.678 -0.967 395 1HD2 LEU 49 1HD2 LEU 49 -5.186 20.086 -2.915 396 2HD2 LEU 49 2HD2 LEU 49 -5.059 18.762 -4.068 397 3HD2 LEU 49 3HD2 LEU 49 -3.770 19.960 -3.956 398 H THR 50 H THR 50 -3.134 21.391 -2.945 399 HA THR 50 HA THR 50 -4.454 22.992 -0.877 400 HB THR 50 HB THR 50 -2.931 24.283 -2.269 401 HG1 THR 50 1HG THR 50 -4.904 25.250 -1.562 402 1HG2 THR 50 1HG2 THR 50 -3.344 24.673 -4.616 403 2HG2 THR 50 2HG2 THR 50 -4.679 23.521 -4.596 404 3HG2 THR 50 3HG2 THR 50 -3.026 22.964 -4.327 405 H ASN 51 H ASN 51 -6.589 23.177 -0.779 406 HA ASN 51 HA ASN 51 -8.214 22.225 -3.027 407 1HB ASN 51 2HB ASN 51 -8.086 20.493 -1.187 408 2HB ASN 51 1HB ASN 51 -8.888 21.654 -0.134 409 1HD2 ASN 51 1HD2 ASN 51 -9.386 19.060 -2.045 410 2HD2 ASN 51 2HD2 ASN 51 -11.050 19.296 -2.446 411 H LEU 52 H LEU 52 -8.738 24.295 -3.662 412 HA LEU 52 HA LEU 52 -9.778 26.091 -1.637 413 1HB LEU 52 2HB LEU 52 -9.409 26.704 -4.553 414 2HB LEU 52 1HB LEU 52 -9.627 27.834 -3.236 415 HG LEU 52 HG LEU 52 -7.373 28.031 -3.634 416 1HD1 LEU 52 1HD1 LEU 52 -6.898 25.757 -1.824 417 2HD1 LEU 52 2HD1 LEU 52 -8.062 26.956 -1.264 418 3HD1 LEU 52 3HD1 LEU 52 -6.420 27.448 -1.679 419 1HD2 LEU 52 1HD2 LEU 52 -6.047 26.512 -4.651 420 2HD2 LEU 52 2HD2 LEU 52 -7.611 25.870 -5.153 421 3HD2 LEU 52 3HD2 LEU 52 -6.757 25.147 -3.790 422 H ARG 53 H ARG 53 -11.764 26.757 -1.423 423 HA ARG 53 HA ARG 53 -13.857 25.401 -2.905 424 1HB ARG 53 2HB ARG 53 -13.884 27.126 -0.431 425 2HB ARG 53 1HB ARG 53 -15.346 26.523 -1.195 426 1HG ARG 53 2HG ARG 53 -13.146 24.696 -0.290 427 2HG ARG 53 1HG ARG 53 -14.449 25.212 0.781 428 1HD ARG 53 2HD ARG 53 -15.950 23.862 -0.202 429 2HD ARG 53 1HD ARG 53 -15.357 24.224 -1.822 430 HE ARG 53 HE ARG 53 -14.078 22.331 -1.732 431 1HH1 ARG 53 1HH1 ARG 53 -15.089 23.150 1.506 432 2HH1 ARG 53 2HH1 ARG 53 -14.471 21.690 2.202 433 1HH2 ARG 53 1HH2 ARG 53 -13.265 20.409 -0.818 434 2HH2 ARG 53 2HH2 ARG 53 -13.436 20.134 0.884 435 H GLY 54 H GLY 54 -12.117 27.866 -3.732 436 1HA GLY 54 2HA GLY 54 -12.435 29.632 -5.181 437 2HA GLY 54 1HA GLY 54 -14.122 29.146 -5.310 438 H ILE 55 H ILE 55 -15.382 29.501 -3.342 439 HA ILE 55 HA ILE 55 -15.190 32.242 -2.528 440 HB ILE 55 HB ILE 55 -17.229 31.756 -1.216 441 1HG1 ILE 55 2HG1 ILE 55 -16.588 28.949 -2.087 442 2HG1 ILE 55 1HG1 ILE 55 -16.987 29.533 -0.488 443 1HG2 ILE 55 1HG2 ILE 55 -17.856 30.511 -3.818 444 2HG2 ILE 55 2HG2 ILE 55 -17.021 32.063 -3.878 445 3HG2 ILE 55 3HG2 ILE 55 -18.564 31.924 -3.034 446 1HD1 ILE 55 1HD1 ILE 55 -18.760 28.875 -2.779 447 2HD1 ILE 55 2HD1 ILE 55 -19.296 30.050 -1.575 448 3HD1 ILE 55 3HD1 ILE 55 -18.889 28.405 -1.083 449 H GLY 56 H GLY 56 -14.170 29.179 -1.445 450 1HA GLY 56 2HA GLY 56 -13.133 30.409 1.024 451 2HA GLY 56 1HA GLY 56 -14.055 28.921 1.150 452 H GLN 57 H GLN 57 -11.298 30.188 -0.763 453 HA GLN 57 HA GLN 57 -10.120 27.752 -1.325 454 1HB GLN 57 2HB GLN 57 -7.986 29.110 -1.531 455 2HB GLN 57 1HB GLN 57 -9.348 29.640 -2.510 456 1HG GLN 57 2HG GLN 57 -9.599 31.575 -1.366 457 2HG GLN 57 1HG GLN 57 -9.067 30.872 0.160 458 1HE2 GLN 57 1HE2 GLN 57 -6.727 30.342 0.285 459 2HE2 GLN 57 2HE2 GLN 57 -5.615 31.440 -0.454 460 H SER 58 H SER 58 -9.737 26.240 0.213 461 HA SER 58 HA SER 58 -8.205 27.089 2.587 462 1HB SER 58 2HB SER 58 -9.147 25.060 3.700 463 2HB SER 58 1HB SER 58 -10.382 26.233 3.240 464 HG SER 58 HG SER 58 -10.874 24.012 2.693 465 H ASN 59 H ASN 59 -6.804 25.250 3.483 466 HA ASN 59 HA ASN 59 -5.323 24.129 1.229 467 1HB ASN 59 2HB ASN 59 -4.430 23.878 4.081 468 2HB ASN 59 1HB ASN 59 -3.466 23.917 2.602 469 1HD2 ASN 59 1HD2 ASN 59 -2.649 25.795 1.941 470 2HD2 ASN 59 2HD2 ASN 59 -2.989 27.333 2.651 471 H ASN 60 H ASN 60 -4.595 22.008 1.223 472 HA ASN 60 HA ASN 60 -6.068 20.073 2.803 473 1HB ASN 60 2HB ASN 60 -6.464 20.604 -0.060 474 2HB ASN 60 1HB ASN 60 -6.220 18.912 0.336 475 1HD2 ASN 60 1HD2 ASN 60 -8.140 17.994 0.303 476 2HD2 ASN 60 2HD2 ASN 60 -9.543 18.573 1.124 477 HA PRO 61 HA PRO 61 -2.261 17.801 2.333 478 1HB PRO 61 2HB PRO 61 -3.036 15.330 2.770 479 2HB PRO 61 1HB PRO 61 -3.498 16.600 3.912 480 1HG PRO 61 2HG PRO 61 -5.148 15.232 1.840 481 2HG PRO 61 1HG PRO 61 -5.629 15.857 3.427 482 1HD PRO 61 2HD PRO 61 -5.840 17.180 0.865 483 2HD PRO 61 1HD PRO 61 -6.283 17.815 2.473 484 H LYS 62 H LYS 62 -0.849 17.189 0.772 485 HA LYS 62 HA LYS 62 -1.693 16.176 -1.793 486 1HB LYS 62 2HB LYS 62 0.900 16.964 -0.552 487 2HB LYS 62 1HB LYS 62 0.961 15.809 -1.853 488 1HG LYS 62 2HG LYS 62 -0.348 17.467 -3.226 489 2HG LYS 62 1HG LYS 62 -0.008 18.620 -1.940 490 1HD LYS 62 2HD LYS 62 2.464 17.614 -2.375 491 2HD LYS 62 1HD LYS 62 1.772 17.513 -3.997 492 1HE LYS 62 2HE LYS 62 1.003 19.964 -3.478 493 2HE LYS 62 1HE LYS 62 2.313 19.908 -2.299 494 1HZ LYS 62 1HZ LYS 62 2.915 20.780 -4.553 495 2HZ LYS 62 2HZ LYS 62 2.693 19.215 -5.155 496 3HZ LYS 62 3HZ LYS 62 3.884 19.512 -3.993 497 H GLN 63 H GLN 63 -1.983 14.083 -2.224 498 HA GLN 63 HA GLN 63 -1.175 12.118 -0.234 499 1HB GLN 63 2HB GLN 63 -2.933 11.778 -2.660 500 2HB GLN 63 1HB GLN 63 -2.666 10.577 -1.406 501 1HG GLN 63 2HG GLN 63 -4.575 11.412 -0.581 502 2HG GLN 63 1HG GLN 63 -3.503 12.634 0.100 503 1HE2 GLN 63 1HE2 GLN 63 -5.293 14.063 0.133 504 2HE2 GLN 63 2HE2 GLN 63 -5.807 14.871 -1.305 505 H SER 64 H SER 64 0.516 10.907 -0.409 506 HA SER 64 HA SER 64 2.386 10.930 -2.460 507 1HB SER 64 2HB SER 64 3.288 10.115 -0.530 508 2HB SER 64 1HB SER 64 1.844 9.205 -0.113 509 HG SER 64 HG SER 64 3.645 7.878 -0.734 510 H SER 65 H SER 65 3.116 9.098 -3.770 511 HA SER 65 HA SER 65 0.833 7.664 -4.954 512 1HB SER 65 2HB SER 65 2.475 7.670 -7.022 513 2HB SER 65 1HB SER 65 1.471 9.076 -6.668 514 HG SER 65 HG SER 65 4.130 8.767 -5.735 515 H LYS 66 H LYS 66 3.916 7.371 -3.491 516 HA LYS 66 HA LYS 66 5.407 5.420 -4.179 517 1HB LYS 66 2HB LYS 66 5.477 6.085 -1.891 518 2HB LYS 66 1HB LYS 66 3.885 5.413 -1.577 519 1HG LYS 66 2HG LYS 66 5.449 3.275 -2.508 520 2HG LYS 66 1HG LYS 66 6.458 4.168 -1.373 521 1HD LYS 66 2HD LYS 66 5.391 3.041 0.238 522 2HD LYS 66 1HD LYS 66 4.009 4.079 -0.105 523 1HE LYS 66 2HE LYS 66 2.924 2.153 -0.469 524 2HE LYS 66 1HE LYS 66 3.748 2.174 -2.028 525 1HZ LYS 66 1HZ LYS 66 4.447 0.161 -1.374 526 2HZ LYS 66 2HZ LYS 66 4.182 0.464 0.269 527 3HZ LYS 66 3HZ LYS 66 5.592 1.025 -0.477 528 H TYR 67 H TYR 67 5.057 3.821 -5.579 529 HA TYR 67 HA TYR 67 2.683 2.387 -5.899 530 1HB TYR 67 2HB TYR 67 5.517 1.683 -6.667 531 2HB TYR 67 1HB TYR 67 4.125 0.696 -7.107 532 HD1 TYR 67 1HD TYR 67 5.179 4.292 -7.318 533 HD2 TYR 67 2HD TYR 67 3.270 0.989 -9.199 534 HE1 TYR 67 1HE TYR 67 4.841 5.646 -9.338 535 HE2 TYR 67 2HE TYR 67 2.927 2.333 -11.224 536 HH TYR 67 HH TYR 67 3.907 4.308 -12.312 537 H LEU 68 H LEU 68 1.913 0.518 -5.128 538 HA LEU 68 HA LEU 68 3.201 -0.579 -2.741 539 1HB LEU 68 2HB LEU 68 0.599 0.061 -3.233 540 2HB LEU 68 1HB LEU 68 0.591 -1.646 -3.612 541 HG LEU 68 HG LEU 68 1.298 -2.220 -1.391 542 1HD1 LEU 68 1HD1 LEU 68 2.813 -0.690 -0.632 543 2HD1 LEU 68 2HD1 LEU 68 1.382 -0.173 0.261 544 3HD1 LEU 68 3HD1 LEU 68 1.872 0.690 -1.198 545 1HD2 LEU 68 1HD2 LEU 68 -0.983 -0.318 -1.669 546 2HD2 LEU 68 2HD2 LEU 68 -0.550 -0.922 -0.072 547 3HD2 LEU 68 3HD2 LEU 68 -0.995 -2.051 -1.350 548 H THR 69 H THR 69 4.561 -2.197 -3.099 549 HA THR 69 HA THR 69 4.031 -4.030 -5.325 550 HB THR 69 HB THR 69 6.504 -4.728 -4.406 551 HG1 THR 69 1HG THR 69 6.467 -2.970 -2.918 552 1HG2 THR 69 1HG2 THR 69 5.961 -4.231 -6.732 553 2HG2 THR 69 2HG2 THR 69 7.449 -3.436 -6.220 554 3HG2 THR 69 3HG2 THR 69 5.956 -2.507 -6.359 555 H TRP 70 H TRP 70 3.044 -5.838 -4.843 556 HA TRP 70 HA TRP 70 3.758 -7.256 -2.397 557 1HB TRP 70 2HB TRP 70 1.419 -5.923 -2.464 558 2HB TRP 70 1HB TRP 70 0.912 -7.423 -3.227 559 HD1 TRP 70 HD TRP 70 3.559 -8.088 -0.706 560 HE1 TRP 70 1HE TRP 70 2.524 -9.031 1.450 561 HE3 TRP 70 3HE TRP 70 -1.368 -7.087 -1.654 562 HZ2 TRP 70 2HZ TRP 70 -0.024 -9.312 2.600 563 HZ3 TRP 70 3HZ TRP 70 -3.041 -7.729 0.034 564 HH2 TRP 70 HH TRP 70 -2.376 -8.818 2.117 565 H ARG 71 H ARG 71 3.893 -9.415 -2.633 566 HA ARG 71 HA ARG 71 2.824 -10.756 -4.937 567 1HB ARG 71 2HB ARG 71 5.592 -11.467 -4.916 568 2HB ARG 71 1HB ARG 71 4.637 -10.810 -6.234 569 1HG ARG 71 2HG ARG 71 5.550 -8.852 -4.229 570 2HG ARG 71 1HG ARG 71 6.806 -9.612 -5.194 571 1HD ARG 71 2HD ARG 71 5.541 -8.982 -7.238 572 2HD ARG 71 1HD ARG 71 4.420 -8.092 -6.214 573 HE ARG 71 HE ARG 71 6.032 -6.470 -5.866 574 1HH1 ARG 71 1HH1 ARG 71 7.387 -9.160 -7.638 575 2HH1 ARG 71 2HH1 ARG 71 8.826 -8.304 -8.076 576 1HH2 ARG 71 1HH2 ARG 71 7.931 -5.352 -6.443 577 2HH2 ARG 71 2HH2 ARG 71 9.136 -6.146 -7.399 578 H ASP 72 H ASP 72 2.727 -12.983 -4.655 579 HA ASP 72 HA ASP 72 3.001 -13.839 -1.923 580 1HB ASP 72 2HB ASP 72 2.337 -15.616 -4.271 581 2HB ASP 72 1HB ASP 72 1.890 -15.826 -2.587 582 H LYS 73 H LYS 73 4.221 -15.777 -1.323 583 HA LYS 73 HA LYS 73 6.877 -15.624 -1.770 584 1HB LYS 73 2HB LYS 73 7.142 -17.669 -0.697 585 2HB LYS 73 1HB LYS 73 5.590 -17.095 -0.111 586 1HG LYS 73 2HG LYS 73 5.150 -19.298 -0.537 587 2HG LYS 73 1HG LYS 73 4.623 -18.545 -2.038 588 1HD LYS 73 2HD LYS 73 7.421 -19.154 -2.201 589 2HD LYS 73 1HD LYS 73 6.543 -20.592 -1.680 590 1HE LYS 73 2HE LYS 73 5.119 -19.302 -3.807 591 2HE LYS 73 1HE LYS 73 6.795 -19.562 -4.284 592 1HZ LYS 73 1HZ LYS 73 6.194 -21.912 -3.166 593 2HZ LYS 73 2HZ LYS 73 6.047 -21.589 -4.819 594 3HZ LYS 73 3HZ LYS 73 4.690 -21.489 -3.813 595 H GLU 74 H GLU 74 4.594 -16.872 -4.020 596 HA GLU 74 HA GLU 74 6.675 -18.146 -5.622 597 1HB GLU 74 2HB GLU 74 3.972 -18.677 -5.279 598 2HB GLU 74 1HB GLU 74 4.039 -17.902 -6.856 599 1HG GLU 74 2HG GLU 74 6.144 -19.811 -6.685 600 2HG GLU 74 1HG GLU 74 4.636 -20.576 -6.185 601 H ASN 75 H ASN 75 6.563 -15.240 -5.046 602 HA ASN 75 HA ASN 75 6.712 -13.215 -6.044 603 1HB ASN 75 2HB ASN 75 8.045 -13.156 -8.093 604 2HB ASN 75 1HB ASN 75 8.716 -14.305 -6.941 605 1HD2 ASN 75 1HD2 ASN 75 7.309 -13.854 -10.036 606 2HD2 ASN 75 2HD2 ASN 75 7.454 -15.486 -10.584 607 H ASN 76 H ASN 76 4.143 -13.851 -6.091 608 HA ASN 76 HA ASN 76 3.251 -12.620 -8.571 609 1HB ASN 76 2HB ASN 76 2.291 -15.386 -7.818 610 2HB ASN 76 1HB ASN 76 1.580 -14.382 -9.077 611 1HD2 ASN 76 1HD2 ASN 76 3.385 -16.960 -8.699 612 2HD2 ASN 76 2HD2 ASN 76 4.461 -16.830 -10.043 613 H SER 77 H SER 77 1.623 -11.241 -8.180 614 HA SER 77 HA SER 77 -0.616 -11.772 -6.609 615 1HB SER 77 2HB SER 77 1.137 -11.588 -4.775 616 2HB SER 77 1HB SER 77 1.214 -9.873 -5.161 617 HG SER 77 HG SER 77 -0.872 -9.627 -4.529 618 H GLY 78 H GLY 78 1.290 -8.742 -6.671 619 1HA GLY 78 2HA GLY 78 0.205 -7.498 -8.856 620 2HA GLY 78 1HA GLY 78 -1.002 -7.296 -7.608 621 H LEU 79 H LEU 79 0.652 -5.304 -9.002 622 HA LEU 79 HA LEU 79 1.411 -3.792 -6.680 623 1HB LEU 79 2HB LEU 79 3.693 -3.328 -7.370 624 2HB LEU 79 1HB LEU 79 3.467 -5.041 -7.076 625 HG LEU 79 HG LEU 79 3.053 -4.314 -9.875 626 1HD1 LEU 79 1HD1 LEU 79 5.438 -3.346 -8.460 627 2HD1 LEU 79 2HD1 LEU 79 4.741 -2.837 -9.998 628 3HD1 LEU 79 3HD1 LEU 79 5.758 -4.276 -9.925 629 1HD2 LEU 79 1HD2 LEU 79 4.352 -6.414 -8.249 630 2HD2 LEU 79 2HD2 LEU 79 5.001 -6.145 -9.866 631 3HD2 LEU 79 3HD2 LEU 79 3.299 -6.555 -9.657 632 H ILE 80 H ILE 80 1.031 -1.671 -6.990 633 HA ILE 80 HA ILE 80 1.215 -0.441 -9.591 634 HB ILE 80 HB ILE 80 -1.040 0.272 -9.851 635 1HG1 ILE 80 2HG1 ILE 80 -2.018 0.589 -7.780 636 2HG1 ILE 80 1HG1 ILE 80 -2.817 -0.886 -8.310 637 1HG2 ILE 80 1HG2 ILE 80 -0.986 -2.695 -9.364 638 2HG2 ILE 80 2HG2 ILE 80 -0.473 -1.872 -10.834 639 3HG2 ILE 80 3HG2 ILE 80 -2.167 -1.832 -10.347 640 1HD1 ILE 80 1HD1 ILE 80 -1.087 -2.149 -6.984 641 2HD1 ILE 80 2HD1 ILE 80 -2.242 -1.199 -6.051 642 3HD1 ILE 80 3HD1 ILE 80 -0.606 -0.596 -6.304 643 H LYS 81 H LYS 81 -0.066 1.888 -9.300 644 HA LYS 81 HA LYS 81 1.317 3.067 -7.016 645 1HB LYS 81 2HB LYS 81 1.668 3.996 -9.279 646 2HB LYS 81 1HB LYS 81 -0.033 4.416 -9.343 647 1HG LYS 81 2HG LYS 81 0.588 5.667 -7.086 648 2HG LYS 81 1HG LYS 81 2.180 5.684 -7.847 649 1HD LYS 81 2HD LYS 81 1.255 7.659 -8.615 650 2HD LYS 81 1HD LYS 81 0.883 6.543 -9.931 651 1HE LYS 81 2HE LYS 81 -1.173 7.483 -9.662 652 2HE LYS 81 1HE LYS 81 -1.311 6.169 -8.495 653 1HZ LYS 81 1HZ LYS 81 -1.912 7.834 -7.133 654 2HZ LYS 81 2HZ LYS 81 -1.149 9.030 -8.053 655 3HZ LYS 81 3HZ LYS 81 -0.245 8.085 -6.980 656 HA PRO 82 HA PRO 82 -2.792 3.607 -5.163 657 1HB PRO 82 2HB PRO 82 -2.152 3.008 -2.697 658 2HB PRO 82 1HB PRO 82 -2.037 1.737 -3.924 659 1HG PRO 82 2HG PRO 82 0.140 3.398 -2.713 660 2HG PRO 82 1HG PRO 82 0.132 1.669 -3.084 661 1HD PRO 82 2HD PRO 82 1.182 3.706 -4.712 662 2HD PRO 82 1HD PRO 82 0.849 2.040 -5.211 663 H PHE 83 H PHE 83 -3.120 4.697 -2.745 664 HA PHE 83 HA PHE 83 -1.730 7.292 -2.913 665 1HB PHE 83 2HB PHE 83 -4.584 6.616 -2.640 666 2HB PHE 83 1HB PHE 83 -4.017 7.843 -1.510 667 HD1 PHE 83 1HD PHE 83 -5.777 7.663 -4.302 668 HD2 PHE 83 2HD PHE 83 -2.098 9.364 -3.008 669 HE1 PHE 83 1HE PHE 83 -5.946 9.363 -6.073 670 HE2 PHE 83 2HE PHE 83 -2.259 11.068 -4.776 671 HZ PHE 83 HZ PHE 83 -4.185 11.069 -6.312 672 H VAL 84 H VAL 84 -0.433 7.660 -1.260 673 HA VAL 84 HA VAL 84 -0.850 6.223 1.234 674 HB VAL 84 HB VAL 84 1.643 7.741 0.559 675 1HG1 VAL 84 1HG1 VAL 84 1.094 6.814 2.854 676 2HG1 VAL 84 2HG1 VAL 84 2.670 6.417 2.166 677 3HG1 VAL 84 3HG1 VAL 84 1.368 5.225 2.143 678 1HG2 VAL 84 1HG2 VAL 84 1.658 6.382 -1.301 679 2HG2 VAL 84 2HG2 VAL 84 0.783 5.086 -0.486 680 3HG2 VAL 84 3HG2 VAL 84 2.484 5.370 -0.114 681 H ILE 85 H ILE 85 -1.883 7.296 2.729 682 HA ILE 85 HA ILE 85 -1.442 10.200 2.964 683 HB ILE 85 HB ILE 85 -3.846 9.038 4.243 684 1HG1 ILE 85 2HG1 ILE 85 -3.831 7.858 2.072 685 2HG1 ILE 85 1HG1 ILE 85 -5.153 9.014 2.181 686 1HG2 ILE 85 1HG2 ILE 85 -4.767 11.176 3.078 687 2HG2 ILE 85 2HG2 ILE 85 -3.061 11.566 2.867 688 3HG2 ILE 85 3HG2 ILE 85 -3.716 11.323 4.486 689 1HD1 ILE 85 1HD1 ILE 85 -2.809 8.974 0.409 690 2HD1 ILE 85 2HD1 ILE 85 -3.290 10.556 1.024 691 3HD1 ILE 85 3HD1 ILE 85 -4.444 9.570 0.126 692 HA PRO 86 HA PRO 86 0.091 9.160 7.001 693 1HB PRO 86 2HB PRO 86 0.408 11.626 8.002 694 2HB PRO 86 1HB PRO 86 1.422 11.025 6.686 695 1HG PRO 86 2HG PRO 86 -0.920 12.876 6.582 696 2HG PRO 86 1HG PRO 86 0.598 12.936 5.671 697 1HD PRO 86 2HD PRO 86 -1.796 11.941 4.697 698 2HD PRO 86 1HD PRO 86 -0.192 11.536 4.054 699 H ASN 87 H ASN 87 -2.834 9.082 6.644 700 HA ASN 87 HA ASN 87 -3.585 9.900 9.357 701 1HB ASN 87 2HB ASN 87 -4.588 11.063 7.062 702 2HB ASN 87 1HB ASN 87 -5.824 9.881 7.481 703 1HD2 ASN 87 1HD2 ASN 87 -6.874 10.047 9.492 704 2HD2 ASN 87 2HD2 ASN 87 -6.902 11.536 10.367 705 H LEU 88 H LEU 88 -3.195 7.338 7.297 706 HA LEU 88 HA LEU 88 -3.641 5.116 7.605 707 1HB LEU 88 2HB LEU 88 -3.847 5.856 10.075 708 2HB LEU 88 1HB LEU 88 -5.575 5.756 9.801 709 HG LEU 88 HG LEU 88 -5.098 3.347 8.995 710 1HD1 LEU 88 1HD1 LEU 88 -3.055 2.493 9.189 711 2HD1 LEU 88 2HD1 LEU 88 -2.871 3.116 10.830 712 3HD1 LEU 88 3HD1 LEU 88 -2.480 4.141 9.449 713 1HD2 LEU 88 1HD2 LEU 88 -4.785 2.757 11.594 714 2HD2 LEU 88 2HD2 LEU 88 -6.311 3.305 10.900 715 3HD2 LEU 88 3HD2 LEU 88 -5.256 4.450 11.727 716 HA PRO 89 HA PRO 89 -7.533 5.810 5.226 717 1HB PRO 89 2HB PRO 89 -6.278 4.226 3.142 718 2HB PRO 89 1HB PRO 89 -6.827 5.900 3.083 719 1HG PRO 89 2HG PRO 89 -4.199 5.163 3.017 720 2HG PRO 89 1HG PRO 89 -4.769 6.725 3.625 721 1HD PRO 89 2HD PRO 89 -3.913 4.295 5.138 722 2HD PRO 89 1HD PRO 89 -3.655 6.013 5.506 723 H VAL 90 H VAL 90 -6.435 3.464 7.026 724 HA VAL 90 HA VAL 90 -7.460 1.575 7.797 725 HB VAL 90 HB VAL 90 -9.087 1.601 5.265 726 1HG1 VAL 90 1HG1 VAL 90 -9.219 -0.574 6.087 727 2HG1 VAL 90 2HG1 VAL 90 -10.632 0.210 6.791 728 3HG1 VAL 90 3HG1 VAL 90 -9.186 -0.043 7.768 729 1HG2 VAL 90 1HG2 VAL 90 -10.429 3.141 6.153 730 2HG2 VAL 90 2HG2 VAL 90 -9.194 3.401 7.385 731 3HG2 VAL 90 3HG2 VAL 90 -10.514 2.272 7.685 732 H ASN 91 H ASN 91 -5.593 1.969 5.113 733 HA ASN 91 HA ASN 91 -4.207 0.622 3.919 734 1HB ASN 91 2HB ASN 91 -4.711 -1.508 5.994 735 2HB ASN 91 1HB ASN 91 -3.264 -1.256 5.024 736 1HD2 ASN 91 1HD2 ASN 91 -2.634 -1.521 7.464 737 2HD2 ASN 91 2HD2 ASN 91 -2.353 -0.028 8.289 738 H LEU 92 H LEU 92 -5.906 0.558 2.277 739 HA LEU 92 HA LEU 92 -7.103 -2.126 2.022 740 1HB LEU 92 2HB LEU 92 -8.681 -0.972 0.398 741 2HB LEU 92 1HB LEU 92 -8.908 -0.633 2.105 742 HG LEU 92 HG LEU 92 -7.130 1.296 0.851 743 1HD1 LEU 92 1HD1 LEU 92 -8.285 1.048 -1.166 744 2HD1 LEU 92 2HD1 LEU 92 -9.081 2.408 -0.372 745 3HD1 LEU 92 3HD1 LEU 92 -9.834 0.813 -0.356 746 1HD2 LEU 92 1HD2 LEU 92 -8.203 2.746 2.226 747 2HD2 LEU 92 2HD2 LEU 92 -8.651 1.247 3.041 748 3HD2 LEU 92 3HD2 LEU 92 -9.786 2.024 1.937 749 H TRP 93 H TRP 93 -6.625 -3.314 0.275 750 HA TRP 93 HA TRP 93 -4.594 -2.289 -1.531 751 1HB TRP 93 2HB TRP 93 -5.195 -4.814 -0.453 752 2HB TRP 93 1HB TRP 93 -5.541 -4.948 -2.170 753 HD1 TRP 93 HD TRP 93 -3.541 -5.402 -3.694 754 HE1 TRP 93 1HE TRP 93 -0.984 -5.329 -3.439 755 HE3 TRP 93 3HE TRP 93 -3.261 -3.422 1.004 756 HZ2 TRP 93 2HZ TRP 93 0.897 -4.542 -1.497 757 HZ3 TRP 93 3HZ TRP 93 -1.041 -3.049 1.995 758 HH2 TRP 93 HH TRP 93 0.998 -3.599 0.769 759 H GLY 94 H GLY 94 -4.868 -2.993 -3.900 760 1HA GLY 94 2HA GLY 94 -7.389 -1.834 -4.782 761 2HA GLY 94 1HA GLY 94 -5.957 -2.071 -5.758 762 H ARG 95 H ARG 95 -8.930 -2.836 -5.934 763 HA ARG 95 HA ARG 95 -9.393 -5.526 -5.753 764 1HB ARG 95 2HB ARG 95 -11.057 -3.808 -6.409 765 2HB ARG 95 1HB ARG 95 -10.331 -3.753 -8.009 766 1HG ARG 95 2HG ARG 95 -11.764 -5.332 -8.606 767 2HG ARG 95 1HG ARG 95 -10.851 -6.445 -7.588 768 1HD ARG 95 2HD ARG 95 -13.145 -6.598 -6.959 769 2HD ARG 95 1HD ARG 95 -12.293 -5.750 -5.669 770 HE ARG 95 HE ARG 95 -13.175 -3.676 -6.978 771 1HH1 ARG 95 1HH1 ARG 95 -14.882 -6.669 -6.385 772 2HH1 ARG 95 2HH1 ARG 95 -16.445 -5.927 -6.437 773 1HH2 ARG 95 1HH2 ARG 95 -15.232 -2.708 -7.040 774 2HH2 ARG 95 2HH2 ARG 95 -16.644 -3.682 -6.807 775 H ASP 96 H ASP 96 -7.574 -3.864 -8.265 776 HA ASP 96 HA ASP 96 -7.467 -5.914 -10.158 777 1HB ASP 96 2HB ASP 96 -5.880 -3.500 -9.545 778 2HB ASP 96 1HB ASP 96 -5.029 -4.745 -10.457 779 H LEU 97 H LEU 97 -5.241 -5.205 -7.485 780 HA LEU 97 HA LEU 97 -3.655 -7.535 -7.982 781 1HB LEU 97 2HB LEU 97 -3.458 -6.245 -5.338 782 2HB LEU 97 1HB LEU 97 -2.201 -6.726 -6.453 783 HG LEU 97 HG LEU 97 -3.713 -4.479 -7.493 784 1HD1 LEU 97 1HD1 LEU 97 -3.928 -4.183 -4.993 785 2HD1 LEU 97 2HD1 LEU 97 -3.231 -2.845 -5.907 786 3HD1 LEU 97 3HD1 LEU 97 -2.184 -3.928 -4.988 787 1HD2 LEU 97 1HD2 LEU 97 -1.381 -5.413 -8.073 788 2HD2 LEU 97 2HD2 LEU 97 -0.841 -4.462 -6.690 789 3HD2 LEU 97 3HD2 LEU 97 -1.633 -3.670 -8.050 790 H LEU 98 H LEU 98 -6.531 -6.896 -6.180 791 HA LEU 98 HA LEU 98 -6.197 -9.088 -4.345 792 1HB LEU 98 2HB LEU 98 -8.474 -7.271 -5.060 793 2HB LEU 98 1HB LEU 98 -8.808 -8.759 -4.202 794 HG LEU 98 HG LEU 98 -8.622 -7.358 -2.426 795 1HD1 LEU 98 1HD1 LEU 98 -5.665 -7.692 -2.746 796 2HD1 LEU 98 2HD1 LEU 98 -6.715 -9.064 -2.393 797 3HD1 LEU 98 3HD1 LEU 98 -6.632 -7.705 -1.272 798 1HD2 LEU 98 1HD2 LEU 98 -7.489 -5.305 -2.361 799 2HD2 LEU 98 2HD2 LEU 98 -8.138 -5.431 -3.994 800 3HD2 LEU 98 3HD2 LEU 98 -6.431 -5.757 -3.694 801 H SER 99 H SER 99 -7.972 -8.492 -7.339 802 HA SER 99 HA SER 99 -9.200 -10.984 -7.597 803 1HB SER 99 2HB SER 99 -9.332 -8.748 -9.048 804 2HB SER 99 1HB SER 99 -8.181 -9.627 -10.053 805 HG SER 99 HG SER 99 -10.487 -9.928 -10.538 806 H GLN 100 H GLN 100 -6.046 -9.816 -8.700 807 HA GLN 100 HA GLN 100 -5.241 -12.268 -9.892 808 1HB GLN 100 2HB GLN 100 -3.601 -9.968 -8.826 809 2HB GLN 100 1HB GLN 100 -2.961 -11.283 -9.799 810 1HG GLN 100 2HG GLN 100 -4.407 -10.621 -11.652 811 2HG GLN 100 1HG GLN 100 -5.056 -9.305 -10.675 812 1HE2 GLN 100 1HE2 GLN 100 -4.242 -7.420 -11.204 813 2HE2 GLN 100 2HE2 GLN 100 -2.628 -7.112 -11.734 814 H MET 101 H MET 101 -4.696 -10.765 -6.722 815 HA MET 101 HA MET 101 -2.931 -12.347 -5.474 816 1HB MET 101 2HB MET 101 -5.048 -10.669 -4.664 817 2HB MET 101 1HB MET 101 -5.218 -12.149 -3.732 818 1HG MET 101 2HG MET 101 -3.092 -11.915 -2.772 819 2HG MET 101 1HG MET 101 -2.609 -10.698 -3.947 820 1HE MET 101 1HE MET 101 -3.493 -8.267 -4.012 821 2HE MET 101 2HE MET 101 -2.125 -8.439 -2.912 822 3HE MET 101 3HE MET 101 -3.510 -7.449 -2.450 823 H LYS 102 H LYS 102 -6.414 -13.167 -5.341 824 HA LYS 102 HA LYS 102 -5.877 -15.933 -5.913 825 1HB LYS 102 2HB LYS 102 -6.380 -15.018 -3.110 826 2HB LYS 102 1HB LYS 102 -7.009 -16.575 -3.631 827 1HG LYS 102 2HG LYS 102 -5.040 -17.432 -3.086 828 2HG LYS 102 1HG LYS 102 -4.371 -16.591 -4.485 829 1HD LYS 102 2HD LYS 102 -3.572 -14.826 -3.196 830 2HD LYS 102 1HD LYS 102 -4.679 -15.169 -1.867 831 1HE LYS 102 2HE LYS 102 -3.257 -16.606 -0.909 832 2HE LYS 102 1HE LYS 102 -2.858 -17.372 -2.446 833 1HZ LYS 102 1HZ LYS 102 -1.254 -15.693 -0.972 834 2HZ LYS 102 2HZ LYS 102 -1.750 -14.758 -2.290 835 3HZ LYS 102 3HZ LYS 102 -0.971 -16.236 -2.549 836 H ILE 103 H ILE 103 -7.518 -14.336 -7.340 837 HA ILE 103 HA ILE 103 -10.171 -15.376 -6.596 838 HB ILE 103 HB ILE 103 -9.847 -12.652 -7.825 839 1HG1 ILE 103 2HG1 ILE 103 -10.209 -13.357 -4.904 840 2HG1 ILE 103 1HG1 ILE 103 -8.779 -12.619 -5.619 841 1HG2 ILE 103 1HG2 ILE 103 -11.996 -13.420 -8.248 842 2HG2 ILE 103 2HG2 ILE 103 -12.191 -12.471 -6.775 843 3HG2 ILE 103 3HG2 ILE 103 -12.119 -14.230 -6.686 844 1HD1 ILE 103 1HD1 ILE 103 -10.672 -11.219 -4.384 845 2HD1 ILE 103 2HD1 ILE 103 -11.343 -11.208 -6.014 846 3HD1 ILE 103 3HD1 ILE 103 -9.725 -10.571 -5.722 847 H MET 104 H MET 104 -8.959 -13.410 -9.315 848 HA MET 104 HA MET 104 -10.117 -15.395 -11.138 849 1HB MET 104 2HB MET 104 -10.955 -13.113 -11.387 850 2HB MET 104 1HB MET 104 -9.317 -12.520 -11.619 851 1HG MET 104 2HG MET 104 -9.648 -14.526 -13.527 852 2HG MET 104 1HG MET 104 -11.160 -13.623 -13.529 853 1HE MET 104 1HE MET 104 -7.012 -11.757 -14.174 854 2HE MET 104 2HE MET 104 -7.386 -13.201 -13.233 855 3HE MET 104 3HE MET 104 -7.771 -11.605 -12.589 856 H MET 105 H MET 105 -8.941 -16.303 -12.796 857 HA MET 105 HA MET 105 -6.145 -16.606 -12.360 858 1HB MET 105 2HB MET 105 -7.838 -18.273 -13.396 859 2HB MET 105 1HB MET 105 -7.549 -17.402 -14.896 860 1HG MET 105 2HG MET 105 -6.116 -19.268 -14.916 861 2HG MET 105 1HG MET 105 -5.103 -17.868 -14.569 862 1HE MET 105 1HE MET 105 -2.969 -19.252 -12.137 863 2HE MET 105 2HE MET 105 -3.267 -18.673 -13.777 864 3HE MET 105 3HE MET 105 -3.301 -20.403 -13.431 865 H ALA 106 H ALA 106 -4.908 -14.840 -12.678 866 HA ALA 106 HA ALA 106 -5.355 -12.977 -14.802 867 1HB ALA 106 1HB ALA 106 -3.386 -11.853 -14.007 868 2HB ALA 106 2HB ALA 106 -2.905 -13.268 -13.071 869 3HB ALA 106 3HB ALA 106 -4.348 -12.362 -12.619 870 H SER 107 H SER 107 -4.976 -13.481 -16.855 871 HA SER 107 HA SER 107 -3.953 -14.216 -18.748 872 1HB SER 107 2HB SER 107 -1.408 -14.314 -17.120 873 2HB SER 107 1HB SER 107 -1.561 -14.109 -18.866 874 HG SER 107 HG SER 107 -2.730 -12.115 -18.318 Start of MODEL 9 1 1H TRP 1 1HT TRP 1 9.496 -17.340 5.675 2 2H TRP 1 2HT TRP 1 7.908 -17.362 6.330 3 3H TRP 1 3HT TRP 1 8.486 -15.963 5.517 4 HA TRP 1 HA TRP 1 8.508 -17.036 3.469 5 1HB TRP 1 2HB TRP 1 8.042 -19.483 5.168 6 2HB TRP 1 1HB TRP 1 7.686 -19.481 3.443 7 HD1 TRP 1 HD TRP 1 9.888 -18.872 1.813 8 HE1 TRP 1 1HE TRP 1 12.337 -19.599 2.116 9 HE3 TRP 1 3HE TRP 1 9.778 -20.059 6.786 10 HZ2 TRP 1 2HZ TRP 1 14.004 -20.549 4.187 11 HZ3 TRP 1 3HZ TRP 1 11.841 -20.869 7.851 12 HH2 TRP 1 HH TRP 1 13.911 -21.110 6.578 13 H VAL 2 H VAL 2 6.454 -18.287 2.420 14 HA VAL 2 HA VAL 2 4.104 -16.905 3.529 15 HB VAL 2 HB VAL 2 4.718 -17.751 0.700 16 1HG1 VAL 2 1HG1 VAL 2 2.561 -16.468 0.203 17 2HG1 VAL 2 2HG1 VAL 2 2.183 -16.702 1.909 18 3HG1 VAL 2 3HG1 VAL 2 2.411 -18.098 0.859 19 1HG2 VAL 2 1HG2 VAL 2 4.178 -15.111 0.596 20 2HG2 VAL 2 2HG2 VAL 2 5.798 -15.775 0.800 21 3HG2 VAL 2 3HG2 VAL 2 4.888 -15.228 2.207 22 H GLN 3 H GLN 3 2.032 -17.960 3.313 23 HA GLN 3 HA GLN 3 2.022 -20.828 2.863 24 1HB GLN 3 2HB GLN 3 0.899 -21.236 5.077 25 2HB GLN 3 1HB GLN 3 2.608 -20.831 5.175 26 1HG GLN 3 2HG GLN 3 1.970 -19.379 6.738 27 2HG GLN 3 1HG GLN 3 1.451 -18.378 5.383 28 1HE2 GLN 3 1HE2 GLN 3 0.190 -21.186 7.156 29 2HE2 GLN 3 2HE2 GLN 3 -1.397 -20.545 7.384 30 HA PRO 4 HA PRO 4 -2.046 -19.996 1.388 31 1HB PRO 4 2HB PRO 4 -3.339 -22.323 1.938 32 2HB PRO 4 1HB PRO 4 -2.141 -22.170 0.647 33 1HG PRO 4 2HG PRO 4 -1.815 -23.268 3.413 34 2HG PRO 4 1HG PRO 4 -1.189 -23.899 1.878 35 1HD PRO 4 2HD PRO 4 0.345 -22.483 3.602 36 2HD PRO 4 1HD PRO 4 0.576 -22.414 1.844 37 H ILE 5 H ILE 5 -3.582 -18.761 2.241 38 HA ILE 5 HA ILE 5 -4.055 -18.639 5.043 39 HB ILE 5 HB ILE 5 -4.275 -16.619 3.790 40 1HG1 ILE 5 2HG1 ILE 5 -6.451 -15.822 4.480 41 2HG1 ILE 5 1HG1 ILE 5 -7.085 -17.465 4.530 42 1HG2 ILE 5 1HG2 ILE 5 -4.767 -17.293 1.613 43 2HG2 ILE 5 2HG2 ILE 5 -6.207 -16.415 2.127 44 3HG2 ILE 5 3HG2 ILE 5 -6.209 -18.177 2.113 45 1HD1 ILE 5 1HD1 ILE 5 -6.009 -16.008 6.634 46 2HD1 ILE 5 2HD1 ILE 5 -4.777 -17.202 6.229 47 3HD1 ILE 5 3HD1 ILE 5 -6.414 -17.724 6.622 48 H THR 6 H THR 6 -5.414 -19.783 6.246 49 HA THR 6 HA THR 6 -7.217 -21.665 4.992 50 HB THR 6 HB THR 6 -5.947 -22.450 6.887 51 HG1 THR 6 1HG THR 6 -7.597 -23.513 7.599 52 1HG2 THR 6 1HG2 THR 6 -6.649 -19.911 8.056 53 2HG2 THR 6 2HG2 THR 6 -5.394 -21.061 8.516 54 3HG2 THR 6 3HG2 THR 6 -7.035 -21.255 9.130 55 H ALA 7 H ALA 7 -9.357 -21.433 4.763 56 HA ALA 7 HA ALA 7 -11.453 -20.545 4.849 57 1HB ALA 7 1HB ALA 7 -12.289 -20.134 6.902 58 2HB ALA 7 2HB ALA 7 -11.019 -18.980 7.305 59 3HB ALA 7 3HB ALA 7 -10.713 -20.712 7.441 60 H GLN 8 H GLN 8 -12.227 -18.912 3.679 61 HA GLN 8 HA GLN 8 -10.688 -16.814 2.743 62 1HB GLN 8 2HB GLN 8 -13.675 -17.165 2.911 63 2HB GLN 8 1HB GLN 8 -12.944 -15.761 2.146 64 1HG GLN 8 2HG GLN 8 -12.793 -16.910 0.269 65 2HG GLN 8 1HG GLN 8 -11.656 -18.001 1.057 66 1HE2 GLN 8 1HE2 GLN 8 -12.437 -19.934 1.974 67 2HE2 GLN 8 2HE2 GLN 8 -13.939 -20.622 1.468 68 H LYS 9 H LYS 9 -9.664 -15.537 4.158 69 HA LYS 9 HA LYS 9 -11.307 -13.666 5.675 70 1HB LYS 9 2HB LYS 9 -9.765 -15.773 6.881 71 2HB LYS 9 1HB LYS 9 -9.076 -14.219 7.329 72 1HG LYS 9 2HG LYS 9 -10.645 -14.777 9.001 73 2HG LYS 9 1HG LYS 9 -11.387 -13.512 8.021 74 1HD LYS 9 2HD LYS 9 -13.024 -14.871 7.289 75 2HD LYS 9 1HD LYS 9 -11.935 -16.248 7.107 76 1HE LYS 9 2HE LYS 9 -12.564 -17.102 9.065 77 2HE LYS 9 1HE LYS 9 -12.312 -15.564 9.890 78 1HZ LYS 9 1HZ LYS 9 -14.637 -16.451 9.943 79 2HZ LYS 9 2HZ LYS 9 -14.730 -16.156 8.280 80 3HZ LYS 9 3HZ LYS 9 -14.492 -14.871 9.354 81 HA PRO 10 HA PRO 10 -8.391 -10.811 3.970 82 1HB PRO 10 2HB PRO 10 -8.655 -8.755 5.728 83 2HB PRO 10 1HB PRO 10 -9.871 -9.142 4.507 84 1HG PRO 10 2HG PRO 10 -9.814 -9.842 7.417 85 2HG PRO 10 1HG PRO 10 -11.169 -9.263 6.432 86 1HD PRO 10 2HD PRO 10 -10.856 -11.869 7.071 87 2HD PRO 10 1HD PRO 10 -11.574 -11.347 5.533 88 H SER 11 H SER 11 -6.947 -12.728 5.158 89 HA SER 11 HA SER 11 -4.793 -11.222 6.365 90 1HB SER 11 2HB SER 11 -5.631 -13.661 7.889 91 2HB SER 11 1HB SER 11 -4.681 -12.276 8.429 92 HG SER 11 HG SER 11 -7.234 -12.664 8.797 93 H LEU 12 H LEU 12 -3.205 -11.777 5.016 94 HA LEU 12 HA LEU 12 -2.525 -14.598 4.774 95 1HB LEU 12 2HB LEU 12 -3.063 -14.809 2.630 96 2HB LEU 12 1HB LEU 12 -3.824 -13.233 2.701 97 HG LEU 12 HG LEU 12 -0.916 -13.655 2.000 98 1HD1 LEU 12 1HD1 LEU 12 -3.337 -13.984 0.408 99 2HD1 LEU 12 2HD1 LEU 12 -1.677 -14.475 0.070 100 3HD1 LEU 12 3HD1 LEU 12 -2.197 -12.827 -0.281 101 1HD2 LEU 12 1HD2 LEU 12 -2.586 -11.335 2.504 102 2HD2 LEU 12 2HD2 LEU 12 -1.852 -11.292 0.900 103 3HD2 LEU 12 3HD2 LEU 12 -0.835 -11.453 2.332 104 H THR 13 H THR 13 -0.296 -14.953 4.156 105 HA THR 13 HA THR 13 1.366 -12.618 4.820 106 HB THR 13 HB THR 13 2.306 -15.473 4.873 107 HG1 THR 13 1HG THR 13 1.719 -15.448 7.099 108 1HG2 THR 13 1HG2 THR 13 4.157 -14.180 5.237 109 2HG2 THR 13 2HG2 THR 13 3.577 -14.420 6.885 110 3HG2 THR 13 3HG2 THR 13 3.245 -12.906 6.046 111 H LEU 14 H LEU 14 2.268 -11.655 3.151 112 HA LEU 14 HA LEU 14 3.601 -13.260 1.106 113 1HB LEU 14 2HB LEU 14 1.859 -10.907 0.393 114 2HB LEU 14 1HB LEU 14 2.728 -11.947 -0.714 115 HG LEU 14 HG LEU 14 0.314 -12.668 0.944 116 1HD1 LEU 14 1HD1 LEU 14 -0.402 -11.447 -0.920 117 2HD1 LEU 14 2HD1 LEU 14 -0.584 -13.134 -1.401 118 3HD1 LEU 14 3HD1 LEU 14 0.794 -12.197 -1.978 119 1HD2 LEU 14 1HD2 LEU 14 0.812 -14.813 0.767 120 2HD2 LEU 14 2HD2 LEU 14 2.361 -14.391 0.039 121 3HD2 LEU 14 3HD2 LEU 14 0.954 -14.659 -0.983 122 H TRP 15 H TRP 15 4.938 -11.676 -0.351 123 HA TRP 15 HA TRP 15 6.181 -9.794 1.516 124 1HB TRP 15 2HB TRP 15 8.246 -10.265 0.649 125 2HB TRP 15 1HB TRP 15 7.440 -11.807 0.448 126 HD1 TRP 15 HD TRP 15 5.960 -10.286 -2.360 127 HE1 TRP 15 1HE TRP 15 7.389 -10.472 -4.479 128 HE3 TRP 15 3HE TRP 15 10.468 -11.462 -0.244 129 HZ2 TRP 15 2HZ TRP 15 10.040 -11.051 -5.190 130 HZ3 TRP 15 3HZ TRP 15 12.393 -11.820 -1.728 131 HH2 TRP 15 HH TRP 15 12.185 -11.623 -4.145 132 H LEU 16 H LEU 16 6.868 -7.795 0.898 133 HA LEU 16 HA LEU 16 6.009 -6.768 -1.676 134 1HB LEU 16 2HB LEU 16 5.065 -4.723 -0.390 135 2HB LEU 16 1HB LEU 16 4.075 -6.156 -0.598 136 HG LEU 16 HG LEU 16 5.434 -6.559 1.822 137 1HD1 LEU 16 1HD1 LEU 16 5.653 -3.897 1.389 138 2HD1 LEU 16 2HD1 LEU 16 5.560 -4.643 2.984 139 3HD1 LEU 16 3HD1 LEU 16 4.109 -3.971 2.239 140 1HD2 LEU 16 1HD2 LEU 16 2.979 -5.767 2.608 141 2HD2 LEU 16 2HD2 LEU 16 3.325 -7.349 1.913 142 3HD2 LEU 16 3HD2 LEU 16 2.681 -6.061 0.895 143 H ASP 17 H ASP 17 7.164 -4.976 -2.389 144 HA ASP 17 HA ASP 17 9.090 -3.773 -2.634 145 1HB ASP 17 2HB ASP 17 7.720 -2.913 -0.284 146 2HB ASP 17 1HB ASP 17 9.449 -2.814 0.032 147 H ASP 18 H ASP 18 9.492 -6.512 -2.034 148 HA ASP 18 HA ASP 18 11.182 -7.954 -1.565 149 1HB ASP 18 2HB ASP 18 12.592 -5.327 -1.554 150 2HB ASP 18 1HB ASP 18 13.443 -6.725 -0.903 151 H LYS 19 H LYS 19 9.391 -7.604 0.426 152 HA LYS 19 HA LYS 19 10.893 -8.374 2.726 153 1HB LYS 19 2HB LYS 19 10.095 -5.593 2.470 154 2HB LYS 19 1HB LYS 19 9.401 -6.337 3.905 155 1HG LYS 19 2HG LYS 19 12.016 -7.201 3.938 156 2HG LYS 19 1HG LYS 19 12.135 -5.538 3.355 157 1HD LYS 19 2HD LYS 19 10.738 -6.448 5.873 158 2HD LYS 19 1HD LYS 19 12.296 -5.622 5.789 159 1HE LYS 19 2HE LYS 19 9.691 -4.477 4.790 160 2HE LYS 19 1HE LYS 19 10.398 -4.127 6.367 161 1HZ LYS 19 1HZ LYS 19 11.501 -2.496 5.379 162 2HZ LYS 19 2HZ LYS 19 11.013 -2.992 3.838 163 3HZ LYS 19 3HZ LYS 19 12.401 -3.657 4.538 164 H MET 20 H MET 20 9.745 -9.958 3.586 165 HA MET 20 HA MET 20 7.056 -10.449 2.897 166 1HB MET 20 2HB MET 20 9.141 -11.825 4.255 167 2HB MET 20 1HB MET 20 7.705 -11.874 5.267 168 1HG MET 20 2HG MET 20 7.164 -13.663 4.046 169 2HG MET 20 1HG MET 20 6.654 -12.482 2.843 170 1HE MET 20 1HE MET 20 7.710 -15.206 0.853 171 2HE MET 20 2HE MET 20 7.934 -13.688 -0.017 172 3HE MET 20 3HE MET 20 6.610 -13.857 1.138 173 H PHE 21 H PHE 21 5.180 -10.342 4.069 174 HA PHE 21 HA PHE 21 4.871 -9.511 6.717 175 1HB PHE 21 2HB PHE 21 5.789 -7.368 5.923 176 2HB PHE 21 1HB PHE 21 4.528 -7.281 4.697 177 HD1 PHE 21 1HD PHE 21 2.952 -5.694 5.180 178 HD2 PHE 21 2HD PHE 21 4.593 -7.995 8.362 179 HE1 PHE 21 1HE PHE 21 1.483 -4.531 6.774 180 HE2 PHE 21 2HE PHE 21 3.126 -6.836 9.962 181 HZ PHE 21 HZ PHE 21 1.568 -5.103 9.168 182 H THR 22 H THR 22 2.709 -9.635 7.335 183 HA THR 22 HA THR 22 0.947 -10.742 5.310 184 HB THR 22 HB THR 22 1.004 -11.984 7.328 185 HG1 THR 22 1HG THR 22 -1.086 -11.800 6.540 186 1HG2 THR 22 1HG2 THR 22 -0.070 -10.537 9.372 187 2HG2 THR 22 2HG2 THR 22 1.031 -9.378 8.625 188 3HG2 THR 22 3HG2 THR 22 1.637 -10.937 9.182 189 H GLY 23 H GLY 23 -0.785 -9.806 4.450 190 1HA GLY 23 2HA GLY 23 -1.575 -7.151 5.486 191 2HA GLY 23 1HA GLY 23 -1.579 -7.566 3.776 192 H LEU 24 H LEU 24 -3.875 -6.818 3.921 193 HA LEU 24 HA LEU 24 -5.559 -9.022 4.893 194 1HB LEU 24 2HB LEU 24 -7.273 -7.534 5.535 195 2HB LEU 24 1HB LEU 24 -5.788 -6.922 6.221 196 HG LEU 24 HG LEU 24 -6.965 -5.032 5.494 197 1HD1 LEU 24 1HD1 LEU 24 -5.150 -5.536 3.160 198 2HD1 LEU 24 2HD1 LEU 24 -4.548 -5.186 4.779 199 3HD1 LEU 24 3HD1 LEU 24 -5.548 -4.004 3.934 200 1HD2 LEU 24 1HD2 LEU 24 -7.364 -5.467 2.702 201 2HD2 LEU 24 2HD2 LEU 24 -8.551 -5.111 3.956 202 3HD2 LEU 24 3HD2 LEU 24 -8.108 -6.782 3.611 203 H ILE 25 H ILE 25 -6.674 -10.058 3.422 204 HA ILE 25 HA ILE 25 -6.804 -8.979 0.717 205 HB ILE 25 HB ILE 25 -7.818 -11.683 1.558 206 1HG1 ILE 25 2HG1 ILE 25 -5.488 -11.414 2.373 207 2HG1 ILE 25 1HG1 ILE 25 -5.620 -12.619 1.096 208 1HG2 ILE 25 1HG2 ILE 25 -7.948 -12.154 -0.638 209 2HG2 ILE 25 2HG2 ILE 25 -6.486 -11.249 -1.030 210 3HG2 ILE 25 3HG2 ILE 25 -8.014 -10.400 -0.804 211 1HD1 ILE 25 1HD1 ILE 25 -4.186 -11.520 -0.186 212 2HD1 ILE 25 2HD1 ILE 25 -3.848 -10.501 1.211 213 3HD1 ILE 25 3HD1 ILE 25 -5.053 -9.999 0.026 214 H ASN 26 H ASN 26 -8.498 -7.775 0.206 215 HA ASN 26 HA ASN 26 -11.111 -8.467 1.367 216 1HB ASN 26 2HB ASN 26 -11.758 -6.117 0.927 217 2HB ASN 26 1HB ASN 26 -10.396 -6.241 2.034 218 1HD2 ASN 26 1HD2 ASN 26 -8.230 -6.020 1.034 219 2HD2 ASN 26 2HD2 ASN 26 -8.049 -4.876 -0.248 220 H THR 27 H THR 27 -12.515 -9.346 0.026 221 HA THR 27 HA THR 27 -11.993 -9.525 -2.777 222 HB THR 27 HB THR 27 -13.025 -11.349 -1.460 223 HG1 THR 27 1HG THR 27 -13.607 -11.807 -3.420 224 1HG2 THR 27 1HG2 THR 27 -14.857 -9.341 -0.660 225 2HG2 THR 27 2HG2 THR 27 -14.773 -11.029 -0.156 226 3HG2 THR 27 3HG2 THR 27 -15.741 -10.575 -1.559 227 H GLY 28 H GLY 28 -12.992 -6.930 -1.185 228 1HA GLY 28 2HA GLY 28 -14.730 -6.063 -3.398 229 2HA GLY 28 1HA GLY 28 -15.143 -5.688 -1.730 230 H ALA 29 H ALA 29 -11.931 -5.666 -3.184 231 HA ALA 29 HA ALA 29 -11.274 -3.139 -2.085 232 1HB ALA 29 1HB ALA 29 -9.289 -4.074 -2.463 233 2HB ALA 29 2HB ALA 29 -9.473 -3.573 -4.142 234 3HB ALA 29 3HB ALA 29 -9.956 -5.196 -3.649 235 H ASP 30 H ASP 30 -11.373 -1.139 -2.909 236 HA ASP 30 HA ASP 30 -11.797 -0.665 -5.726 237 1HB ASP 30 2HB ASP 30 -13.876 0.642 -5.385 238 2HB ASP 30 1HB ASP 30 -14.083 -1.070 -5.033 239 H VAL 31 H VAL 31 -10.137 0.090 -3.146 240 HA VAL 31 HA VAL 31 -9.634 2.793 -4.042 241 HB VAL 31 HB VAL 31 -11.357 3.121 -2.327 242 1HG1 VAL 31 1HG1 VAL 31 -10.304 0.980 -1.058 243 2HG1 VAL 31 2HG1 VAL 31 -11.372 2.156 -0.295 244 3HG1 VAL 31 3HG1 VAL 31 -9.625 2.296 -0.099 245 1HG2 VAL 31 1HG2 VAL 31 -8.666 4.195 -2.214 246 2HG2 VAL 31 2HG2 VAL 31 -9.500 4.312 -0.666 247 3HG2 VAL 31 3HG2 VAL 31 -10.219 5.022 -2.112 248 H THR 32 H THR 32 -7.560 2.383 -4.576 249 HA THR 32 HA THR 32 -5.820 0.822 -2.880 250 HB THR 32 HB THR 32 -4.184 2.020 -4.733 251 HG1 THR 32 1HG THR 32 -5.341 2.073 -6.660 252 1HG2 THR 32 1HG2 THR 32 -3.848 -0.091 -5.265 253 2HG2 THR 32 2HG2 THR 32 -5.433 -0.176 -6.031 254 3HG2 THR 32 3HG2 THR 32 -5.262 -0.544 -4.315 255 H ILE 33 H ILE 33 -5.346 1.749 -1.009 256 HA ILE 33 HA ILE 33 -3.903 4.299 -1.098 257 HB ILE 33 HB ILE 33 -5.701 3.840 1.225 258 1HG1 ILE 33 2HG1 ILE 33 -7.122 3.573 -0.825 259 2HG1 ILE 33 1HG1 ILE 33 -7.561 4.963 0.164 260 1HG2 ILE 33 1HG2 ILE 33 -4.805 6.348 -0.171 261 2HG2 ILE 33 2HG2 ILE 33 -4.008 5.619 1.223 262 3HG2 ILE 33 3HG2 ILE 33 -5.651 6.242 1.372 263 1HD1 ILE 33 1HD1 ILE 33 -7.381 6.248 -1.622 264 2HD1 ILE 33 2HD1 ILE 33 -6.834 4.874 -2.584 265 3HD1 ILE 33 3HD1 ILE 33 -5.662 5.860 -1.711 266 H ILE 34 H ILE 34 -2.104 4.292 0.046 267 HA ILE 34 HA ILE 34 -1.752 2.271 2.141 268 HB ILE 34 HB ILE 34 -0.396 2.330 -0.355 269 1HG1 ILE 34 2HG1 ILE 34 0.768 0.342 0.625 270 2HG1 ILE 34 1HG1 ILE 34 0.034 0.734 2.177 271 1HG2 ILE 34 1HG2 ILE 34 1.977 2.331 0.480 272 2HG2 ILE 34 2HG2 ILE 34 1.376 3.064 1.969 273 3HG2 ILE 34 3HG2 ILE 34 1.199 3.914 0.430 274 1HD1 ILE 34 1HD1 ILE 34 -1.082 -0.636 -0.116 275 2HD1 ILE 34 2HD1 ILE 34 -2.107 0.686 0.444 276 3HD1 ILE 34 3HD1 ILE 34 -1.632 -0.593 1.560 277 H LYS 35 H LYS 35 -1.548 3.346 3.960 278 HA LYS 35 HA LYS 35 -1.209 6.016 4.329 279 1HB LYS 35 2HB LYS 35 -0.244 5.330 6.640 280 2HB LYS 35 1HB LYS 35 -1.880 4.846 6.227 281 1HG LYS 35 2HG LYS 35 0.180 2.910 5.474 282 2HG LYS 35 1HG LYS 35 0.027 3.193 7.204 283 1HD LYS 35 2HD LYS 35 -2.572 2.972 6.524 284 2HD LYS 35 1HD LYS 35 -1.838 1.903 5.326 285 1HE LYS 35 2HE LYS 35 -1.165 0.393 6.885 286 2HE LYS 35 1HE LYS 35 -0.898 1.625 8.118 287 1HZ LYS 35 1HZ LYS 35 -3.230 0.032 7.601 288 2HZ LYS 35 2HZ LYS 35 -3.583 1.677 7.761 289 3HZ LYS 35 3HZ LYS 35 -2.778 0.860 9.004 290 H LEU 36 H LEU 36 0.533 7.229 5.378 291 HA LEU 36 HA LEU 36 2.892 7.077 3.769 292 1HB LEU 36 2HB LEU 36 1.587 9.077 5.059 293 2HB LEU 36 1HB LEU 36 2.951 8.818 6.132 294 HG LEU 36 HG LEU 36 3.606 9.016 3.257 295 1HD1 LEU 36 1HD1 LEU 36 2.942 11.108 2.853 296 2HD1 LEU 36 2HD1 LEU 36 3.327 11.649 4.487 297 3HD1 LEU 36 3HD1 LEU 36 1.793 10.843 4.163 298 1HD2 LEU 36 1HD2 LEU 36 5.069 10.774 4.932 299 2HD2 LEU 36 2HD2 LEU 36 5.607 9.275 4.174 300 3HD2 LEU 36 3HD2 LEU 36 4.891 9.240 5.784 301 H GLU 37 H GLU 37 2.038 5.939 6.916 302 HA GLU 37 HA GLU 37 4.590 5.781 8.074 303 1HB GLU 37 2HB GLU 37 2.123 4.100 8.519 304 2HB GLU 37 1HB GLU 37 3.565 4.009 9.520 305 1HG GLU 37 2HG GLU 37 3.168 6.008 10.526 306 2HG GLU 37 1HG GLU 37 2.327 6.674 9.126 307 H ASP 38 H ASP 38 3.331 4.067 5.423 308 HA ASP 38 HA ASP 38 5.362 1.965 5.778 309 1HB ASP 38 2HB ASP 38 2.610 1.687 5.343 310 2HB ASP 38 1HB ASP 38 3.359 1.304 3.796 311 H TRP 39 H TRP 39 5.578 4.689 4.484 312 HA TRP 39 HA TRP 39 6.092 3.907 1.707 313 1HB TRP 39 2HB TRP 39 5.284 5.953 1.281 314 2HB TRP 39 1HB TRP 39 5.263 6.354 2.993 315 HD1 TRP 39 HD TRP 39 7.167 6.998 -0.201 316 HE1 TRP 39 1HE TRP 39 9.077 8.658 0.259 317 HE3 TRP 39 3HE TRP 39 6.938 7.118 4.908 318 HZ2 TRP 39 2HZ TRP 39 10.305 9.887 2.491 319 HZ3 TRP 39 3HZ TRP 39 8.509 8.566 6.128 320 HH2 TRP 39 HH TRP 39 10.159 9.921 4.942 321 HA PRO 40 HA PRO 40 10.465 3.483 2.111 322 1HB PRO 40 2HB PRO 40 10.768 5.232 -0.261 323 2HB PRO 40 1HB PRO 40 11.322 3.576 -0.005 324 1HG PRO 40 2HG PRO 40 9.246 4.121 -1.596 325 2HG PRO 40 1HG PRO 40 9.297 2.668 -0.590 326 1HD PRO 40 2HD PRO 40 7.763 5.186 -0.196 327 2HD PRO 40 1HD PRO 40 7.300 3.515 0.176 328 HA PRO 41 HA PRO 41 11.408 7.453 4.089 329 1HB PRO 41 2HB PRO 41 13.425 6.539 5.634 330 2HB PRO 41 1HB PRO 41 11.727 6.271 6.041 331 1HG PRO 41 2HG PRO 41 13.678 4.410 4.741 332 2HG PRO 41 1HG PRO 41 12.490 4.074 6.015 333 1HD PRO 41 2HD PRO 41 12.071 3.468 3.395 334 2HD PRO 41 1HD PRO 41 10.757 3.875 4.516 335 H ASN 42 H ASN 42 13.196 5.479 1.986 336 HA ASN 42 HA ASN 42 15.721 6.660 1.977 337 1HB ASN 42 2HB ASN 42 14.843 4.566 0.723 338 2HB ASN 42 1HB ASN 42 14.382 5.703 -0.540 339 1HD2 ASN 42 1HD2 ASN 42 15.866 6.320 -1.961 340 2HD2 ASN 42 2HD2 ASN 42 17.557 5.980 -1.853 341 H TRP 43 H TRP 43 12.757 7.554 0.250 342 HA TRP 43 HA TRP 43 14.047 10.124 -0.408 343 1HB TRP 43 2HB TRP 43 12.971 10.177 -2.544 344 2HB TRP 43 1HB TRP 43 13.751 8.606 -2.399 345 HD1 TRP 43 HD TRP 43 10.208 10.104 -1.857 346 HE1 TRP 43 1HE TRP 43 8.485 8.329 -2.563 347 HE3 TRP 43 3HE TRP 43 13.397 6.283 -3.029 348 HZ2 TRP 43 2HZ TRP 43 8.471 5.678 -3.491 349 HZ3 TRP 43 3HZ TRP 43 12.442 4.158 -3.821 350 HH2 TRP 43 HH TRP 43 10.026 3.868 -4.044 351 HA PRO 44 HA PRO 44 10.626 11.956 1.729 352 1HB PRO 44 2HB PRO 44 10.668 14.434 0.601 353 2HB PRO 44 1HB PRO 44 11.847 13.906 1.809 354 1HG PRO 44 2HG PRO 44 12.107 14.012 -1.173 355 2HG PRO 44 1HG PRO 44 13.277 14.491 0.070 356 1HD PRO 44 2HD PRO 44 13.446 12.135 -1.239 357 2HD PRO 44 1HD PRO 44 13.950 12.314 0.453 358 H ILE 45 H ILE 45 8.442 12.294 1.417 359 HA ILE 45 HA ILE 45 7.519 12.295 -1.378 360 HB ILE 45 HB ILE 45 5.487 11.000 -0.428 361 1HG1 ILE 45 2HG1 ILE 45 6.430 9.313 1.322 362 2HG1 ILE 45 1HG1 ILE 45 7.566 10.598 1.700 363 1HG2 ILE 45 1HG2 ILE 45 6.631 8.859 -0.917 364 2HG2 ILE 45 2HG2 ILE 45 8.169 9.727 -0.922 365 3HG2 ILE 45 3HG2 ILE 45 6.936 10.114 -2.119 366 1HD1 ILE 45 1HD1 ILE 45 5.965 11.124 3.188 367 2HD1 ILE 45 2HD1 ILE 45 4.675 10.387 2.230 368 3HD1 ILE 45 3HD1 ILE 45 5.294 11.982 1.804 369 H THR 46 H THR 46 5.036 12.650 -1.372 370 HA THR 46 HA THR 46 4.615 15.307 -0.440 371 HB THR 46 HB THR 46 2.221 14.600 -1.429 372 HG1 THR 46 1HG THR 46 2.767 13.095 -3.174 373 1HG2 THR 46 1HG2 THR 46 2.795 15.755 -3.267 374 2HG2 THR 46 2HG2 THR 46 4.236 14.780 -3.554 375 3HG2 THR 46 3HG2 THR 46 4.275 16.081 -2.364 376 H ASP 47 H ASP 47 2.165 15.682 0.444 377 HA ASP 47 HA ASP 47 0.777 14.128 2.135 378 1HB ASP 47 2HB ASP 47 2.772 13.505 3.375 379 2HB ASP 47 1HB ASP 47 3.234 15.199 3.546 380 H THR 48 H THR 48 2.667 17.042 2.800 381 HA THR 48 HA THR 48 0.365 18.754 2.483 382 HB THR 48 HB THR 48 0.643 19.753 4.768 383 HG1 THR 48 1HG THR 48 2.082 17.378 5.317 384 1HG2 THR 48 1HG2 THR 48 -0.031 16.871 5.133 385 2HG2 THR 48 2HG2 THR 48 -1.069 17.921 4.166 386 3HG2 THR 48 3HG2 THR 48 -0.768 18.297 5.863 387 H LEU 49 H LEU 49 1.074 20.453 1.417 388 HA LEU 49 HA LEU 49 3.861 21.297 1.817 389 1HB LEU 49 2HB LEU 49 3.194 20.395 -0.417 390 2HB LEU 49 1HB LEU 49 2.165 21.784 -0.625 391 HG LEU 49 HG LEU 49 4.055 23.263 -0.678 392 1HD1 LEU 49 1HD1 LEU 49 5.770 22.723 0.654 393 2HD1 LEU 49 2HD1 LEU 49 6.343 21.755 -0.703 394 3HD1 LEU 49 3HD1 LEU 49 5.401 21.001 0.582 395 1HD2 LEU 49 1HD2 LEU 49 4.476 22.792 -2.808 396 2HD2 LEU 49 2HD2 LEU 49 3.559 21.303 -2.579 397 3HD2 LEU 49 3HD2 LEU 49 5.312 21.298 -2.386 398 H THR 50 H THR 50 4.082 23.650 0.996 399 HA THR 50 HA THR 50 2.174 25.353 2.416 400 HB THR 50 HB THR 50 4.349 26.904 2.387 401 HG1 THR 50 1HG THR 50 5.424 24.289 2.544 402 1HG2 THR 50 1HG2 THR 50 3.268 26.334 4.439 403 2HG2 THR 50 2HG2 THR 50 4.993 25.997 4.596 404 3HG2 THR 50 3HG2 THR 50 3.856 24.674 4.340 405 H ASN 51 H ASN 51 1.001 26.685 1.096 406 HA ASN 51 HA ASN 51 2.360 27.802 -1.248 407 1HB ASN 51 2HB ASN 51 0.495 25.888 -1.579 408 2HB ASN 51 1HB ASN 51 -0.545 27.301 -1.531 409 1HD2 ASN 51 1HD2 ASN 51 1.063 29.171 -2.732 410 2HD2 ASN 51 2HD2 ASN 51 1.319 28.737 -4.384 411 H LEU 52 H LEU 52 2.583 29.914 -0.494 412 HA LEU 52 HA LEU 52 0.510 30.948 1.156 413 1HB LEU 52 2HB LEU 52 2.526 32.695 -0.168 414 2HB LEU 52 1HB LEU 52 1.678 32.897 1.353 415 HG LEU 52 HG LEU 52 3.739 32.331 2.166 416 1HD1 LEU 52 1HD1 LEU 52 1.932 30.338 2.422 417 2HD1 LEU 52 2HD1 LEU 52 3.514 30.348 3.195 418 3HD1 LEU 52 3HD1 LEU 52 3.276 29.469 1.685 419 1HD2 LEU 52 1HD2 LEU 52 5.447 31.550 0.936 420 2HD2 LEU 52 2HD2 LEU 52 4.361 31.861 -0.418 421 3HD2 LEU 52 3HD2 LEU 52 4.493 30.234 0.251 422 H ARG 53 H ARG 53 -1.340 31.063 0.274 423 HA ARG 53 HA ARG 53 -1.699 32.875 -1.978 424 1HB ARG 53 2HB ARG 53 -2.822 30.201 -1.558 425 2HB ARG 53 1HB ARG 53 -3.985 31.420 -2.062 426 1HG ARG 53 2HG ARG 53 -2.930 31.766 -4.098 427 2HG ARG 53 1HG ARG 53 -1.407 31.073 -3.536 428 1HD ARG 53 2HD ARG 53 -3.373 29.065 -3.281 429 2HD ARG 53 1HD ARG 53 -3.589 29.794 -4.871 430 HE ARG 53 HE ARG 53 -1.296 28.276 -3.935 431 1HH1 ARG 53 1HH1 ARG 53 -2.628 30.357 -6.407 432 2HH1 ARG 53 2HH1 ARG 53 -1.500 29.847 -7.616 433 1HH2 ARG 53 1HH2 ARG 53 0.183 27.606 -5.534 434 2HH2 ARG 53 2HH2 ARG 53 0.095 28.289 -7.122 435 H GLY 54 H GLY 54 -3.135 31.468 0.779 436 1HA GLY 54 2HA GLY 54 -5.400 32.927 1.206 437 2HA GLY 54 1HA GLY 54 -4.422 32.270 2.505 438 H ILE 55 H ILE 55 -4.230 34.948 0.224 439 HA ILE 55 HA ILE 55 -3.485 37.094 0.392 440 HB ILE 55 HB ILE 55 -4.385 38.398 2.294 441 1HG1 ILE 55 2HG1 ILE 55 -5.896 36.118 3.382 442 2HG1 ILE 55 1HG1 ILE 55 -4.173 36.067 3.650 443 1HG2 ILE 55 1HG2 ILE 55 -6.722 38.155 1.791 444 2HG2 ILE 55 2HG2 ILE 55 -6.469 36.509 1.209 445 3HG2 ILE 55 3HG2 ILE 55 -5.798 37.873 0.315 446 1HD1 ILE 55 1HD1 ILE 55 -5.097 38.686 4.257 447 2HD1 ILE 55 2HD1 ILE 55 -4.364 37.492 5.329 448 3HD1 ILE 55 3HD1 ILE 55 -6.112 37.508 5.088 449 H GLY 56 H GLY 56 -2.072 34.799 1.259 450 1HA GLY 56 2HA GLY 56 0.313 35.646 2.095 451 2HA GLY 56 1HA GLY 56 -0.583 35.483 3.606 452 H GLN 57 H GLN 57 -0.450 33.545 4.543 453 HA GLN 57 HA GLN 57 0.432 31.343 2.842 454 1HB GLN 57 2HB GLN 57 0.496 31.427 5.846 455 2HB GLN 57 1HB GLN 57 1.316 30.282 4.794 456 1HG GLN 57 2HG GLN 57 3.092 31.596 4.940 457 2HG GLN 57 1HG GLN 57 2.222 32.739 3.919 458 1HE2 GLN 57 1HE2 GLN 57 1.934 31.770 7.322 459 2HE2 GLN 57 2HE2 GLN 57 2.049 33.369 7.964 460 H SER 58 H SER 58 -0.908 30.022 2.096 461 HA SER 58 HA SER 58 -3.060 28.957 3.802 462 1HB SER 58 2HB SER 58 -3.935 28.236 1.385 463 2HB SER 58 1HB SER 58 -4.311 29.827 2.046 464 HG SER 58 HG SER 58 -2.429 29.115 0.079 465 H ASN 59 H ASN 59 -2.479 26.929 4.470 466 HA ASN 59 HA ASN 59 -0.202 25.658 3.514 467 1HB ASN 59 2HB ASN 59 -2.396 24.067 4.791 468 2HB ASN 59 1HB ASN 59 -0.643 23.861 4.906 469 1HD2 ASN 59 1HD2 ASN 59 0.258 24.550 6.699 470 2HD2 ASN 59 2HD2 ASN 59 -0.384 25.733 7.781 471 H ASN 60 H ASN 60 0.255 24.671 1.784 472 HA ASN 60 HA ASN 60 -1.623 23.955 -0.217 473 1HB ASN 60 2HB ASN 60 0.977 24.602 -0.265 474 2HB ASN 60 1HB ASN 60 1.134 22.858 -0.251 475 1HD2 ASN 60 1HD2 ASN 60 -1.288 24.912 -1.815 476 2HD2 ASN 60 2HD2 ASN 60 -0.954 24.373 -3.422 477 HA PRO 61 HA PRO 61 -2.068 19.586 0.823 478 1HB PRO 61 2HB PRO 61 -3.632 19.016 -1.170 479 2HB PRO 61 1HB PRO 61 -4.024 20.459 -0.217 480 1HG PRO 61 2HG PRO 61 -2.716 20.271 -2.910 481 2HG PRO 61 1HG PRO 61 -3.889 21.463 -2.317 482 1HD PRO 61 2HD PRO 61 -0.993 21.684 -2.283 483 2HD PRO 61 1HD PRO 61 -2.199 22.823 -1.631 484 H LYS 62 H LYS 62 -0.742 17.761 0.578 485 HA LYS 62 HA LYS 62 -0.077 16.951 -2.142 486 1HB LYS 62 2HB LYS 62 1.973 17.267 0.036 487 2HB LYS 62 1HB LYS 62 2.258 16.508 -1.518 488 1HG LYS 62 2HG LYS 62 1.404 18.735 -2.489 489 2HG LYS 62 1HG LYS 62 1.766 19.352 -0.872 490 1HD LYS 62 2HD LYS 62 3.890 19.602 -1.599 491 2HD LYS 62 1HD LYS 62 4.007 17.847 -1.548 492 1HE LYS 62 2HE LYS 62 3.639 17.631 -3.825 493 2HE LYS 62 1HE LYS 62 2.872 19.215 -3.952 494 1HZ LYS 62 1HZ LYS 62 4.821 20.171 -4.360 495 2HZ LYS 62 2HZ LYS 62 5.472 18.621 -4.556 496 3HZ LYS 62 3HZ LYS 62 5.579 19.400 -3.058 497 H GLN 63 H GLN 63 0.382 14.735 -2.392 498 HA GLN 63 HA GLN 63 0.232 12.960 -0.102 499 1HB GLN 63 2HB GLN 63 -1.924 13.089 -2.202 500 2HB GLN 63 1HB GLN 63 -1.633 11.635 -1.257 501 1HG GLN 63 2HG GLN 63 -3.186 12.535 0.088 502 2HG GLN 63 1HG GLN 63 -1.808 13.430 0.726 503 1HE2 GLN 63 1HE2 GLN 63 -2.757 15.295 1.298 504 2HE2 GLN 63 2HE2 GLN 63 -3.584 16.351 0.210 505 H SER 64 H SER 64 1.535 11.261 -0.416 506 HA SER 64 HA SER 64 3.122 11.022 -2.709 507 1HB SER 64 2HB SER 64 3.252 9.973 -0.206 508 2HB SER 64 1HB SER 64 2.816 8.550 -1.153 509 HG SER 64 HG SER 64 4.625 8.819 -2.388 510 H SER 65 H SER 65 3.314 9.374 -4.247 511 HA SER 65 HA SER 65 0.751 8.089 -4.938 512 1HB SER 65 2HB SER 65 1.737 9.993 -6.435 513 2HB SER 65 1HB SER 65 2.831 8.733 -7.002 514 HG SER 65 HG SER 65 1.182 7.674 -7.899 515 H LYS 66 H LYS 66 4.084 7.619 -4.284 516 HA LYS 66 HA LYS 66 5.102 5.567 -5.579 517 1HB LYS 66 2HB LYS 66 5.956 4.635 -3.445 518 2HB LYS 66 1HB LYS 66 6.123 6.382 -3.551 519 1HG LYS 66 2HG LYS 66 4.906 6.687 -1.724 520 2HG LYS 66 1HG LYS 66 3.608 5.668 -2.343 521 1HD LYS 66 2HD LYS 66 6.122 4.592 -1.087 522 2HD LYS 66 1HD LYS 66 4.635 4.891 -0.189 523 1HE LYS 66 2HE LYS 66 4.033 2.818 -0.729 524 2HE LYS 66 1HE LYS 66 3.815 3.406 -2.376 525 1HZ LYS 66 1HZ LYS 66 5.275 1.752 -2.790 526 2HZ LYS 66 2HZ LYS 66 5.966 1.798 -1.247 527 3HZ LYS 66 3HZ LYS 66 6.412 2.945 -2.406 528 H TYR 67 H TYR 67 4.780 3.416 -6.008 529 HA TYR 67 HA TYR 67 2.229 2.320 -5.074 530 1HB TYR 67 2HB TYR 67 2.572 0.615 -6.895 531 2HB TYR 67 1HB TYR 67 2.328 2.260 -7.444 532 HD1 TYR 67 1HD TYR 67 3.577 2.888 -9.222 533 HD2 TYR 67 2HD TYR 67 5.211 0.096 -6.470 534 HE1 TYR 67 1HE TYR 67 5.581 2.708 -10.612 535 HE2 TYR 67 2HE TYR 67 7.229 -0.091 -7.845 536 HH TYR 67 HH TYR 67 7.780 0.289 -10.377 537 H LEU 68 H LEU 68 2.074 0.080 -4.548 538 HA LEU 68 HA LEU 68 4.497 -0.869 -3.188 539 1HB LEU 68 2HB LEU 68 1.969 -0.401 -2.159 540 2HB LEU 68 1HB LEU 68 1.998 -2.139 -2.388 541 HG LEU 68 HG LEU 68 3.923 -2.364 -0.962 542 1HD1 LEU 68 1HD1 LEU 68 5.405 -0.711 -0.927 543 2HD1 LEU 68 2HD1 LEU 68 4.335 0.114 0.207 544 3HD1 LEU 68 3HD1 LEU 68 4.226 0.457 -1.521 545 1HD2 LEU 68 1HD2 LEU 68 1.418 -1.413 -0.111 546 2HD2 LEU 68 2HD2 LEU 68 2.628 -0.597 0.879 547 3HD2 LEU 68 3HD2 LEU 68 2.590 -2.357 0.806 548 H THR 69 H THR 69 5.257 -2.854 -3.563 549 HA THR 69 HA THR 69 3.975 -4.401 -5.707 550 HB THR 69 HB THR 69 6.284 -5.476 -5.852 551 HG1 THR 69 1HG THR 69 7.110 -3.181 -4.425 552 1HG2 THR 69 1HG2 THR 69 7.302 -3.671 -7.100 553 2HG2 THR 69 2HG2 THR 69 6.160 -2.521 -6.400 554 3HG2 THR 69 3HG2 THR 69 5.584 -3.795 -7.473 555 H TRP 70 H TRP 70 2.615 -5.766 -4.702 556 HA TRP 70 HA TRP 70 3.636 -7.340 -2.464 557 1HB TRP 70 2HB TRP 70 1.282 -6.074 -2.606 558 2HB TRP 70 1HB TRP 70 0.805 -7.591 -3.344 559 HD1 TRP 70 HD TRP 70 3.402 -8.030 -0.684 560 HE1 TRP 70 1HE TRP 70 2.325 -8.986 1.445 561 HE3 TRP 70 3HE TRP 70 -1.520 -7.445 -1.922 562 HZ2 TRP 70 2HZ TRP 70 -0.261 -9.418 2.474 563 HZ3 TRP 70 3HZ TRP 70 -3.235 -8.149 -0.308 564 HH2 TRP 70 HH TRP 70 -2.615 -9.117 1.846 565 H ARG 71 H ARG 71 3.652 -9.565 -2.533 566 HA ARG 71 HA ARG 71 2.655 -11.085 -4.718 567 1HB ARG 71 2HB ARG 71 5.432 -10.100 -4.818 568 2HB ARG 71 1HB ARG 71 5.213 -11.807 -5.171 569 1HG ARG 71 2HG ARG 71 4.157 -11.408 -7.130 570 2HG ARG 71 1HG ARG 71 3.391 -9.936 -6.547 571 1HD ARG 71 2HD ARG 71 6.334 -9.897 -6.842 572 2HD ARG 71 1HD ARG 71 5.378 -9.929 -8.322 573 HE ARG 71 HE ARG 71 4.639 -7.932 -6.342 574 1HH1 ARG 71 1HH1 ARG 71 6.401 -8.664 -9.275 575 2HH1 ARG 71 2HH1 ARG 71 6.447 -7.016 -9.799 576 1HH2 ARG 71 1HH2 ARG 71 4.701 -5.772 -7.047 577 2HH2 ARG 71 2HH2 ARG 71 5.492 -5.381 -8.535 578 H ASP 72 H ASP 72 2.758 -13.293 -4.374 579 HA ASP 72 HA ASP 72 3.312 -14.053 -1.648 580 1HB ASP 72 2HB ASP 72 2.808 -16.231 -3.579 581 2HB ASP 72 1HB ASP 72 2.036 -15.902 -2.035 582 H LYS 73 H LYS 73 4.654 -15.991 -1.209 583 HA LYS 73 HA LYS 73 7.269 -15.685 -1.666 584 1HB LYS 73 2HB LYS 73 7.635 -17.971 -1.065 585 2HB LYS 73 1HB LYS 73 6.243 -17.386 -0.168 586 1HG LYS 73 2HG LYS 73 6.144 -19.076 -2.658 587 2HG LYS 73 1HG LYS 73 5.898 -19.641 -1.010 588 1HD LYS 73 2HD LYS 73 4.062 -17.721 -1.034 589 2HD LYS 73 1HD LYS 73 4.103 -18.062 -2.763 590 1HE LYS 73 2HE LYS 73 4.017 -20.444 -1.060 591 2HE LYS 73 1HE LYS 73 2.598 -19.406 -0.925 592 1HZ LYS 73 1HZ LYS 73 3.503 -19.927 -3.629 593 2HZ LYS 73 2HZ LYS 73 1.935 -19.901 -2.997 594 3HZ LYS 73 3HZ LYS 73 2.903 -21.276 -2.801 595 H GLU 74 H GLU 74 5.054 -16.989 -4.027 596 HA GLU 74 HA GLU 74 7.284 -17.802 -5.717 597 1HB GLU 74 2HB GLU 74 4.618 -18.686 -5.440 598 2HB GLU 74 1HB GLU 74 4.712 -17.934 -7.025 599 1HG GLU 74 2HG GLU 74 6.967 -19.681 -6.475 600 2HG GLU 74 1HG GLU 74 5.415 -20.514 -6.405 601 H ASN 75 H ASN 75 6.731 -15.036 -4.898 602 HA ASN 75 HA ASN 75 6.564 -12.929 -5.726 603 1HB ASN 75 2HB ASN 75 7.871 -12.482 -7.718 604 2HB ASN 75 1HB ASN 75 8.693 -13.686 -6.731 605 1HD2 ASN 75 1HD2 ASN 75 8.840 -15.797 -7.458 606 2HD2 ASN 75 2HD2 ASN 75 8.522 -16.233 -9.099 607 H ASN 76 H ASN 76 4.110 -13.982 -5.838 608 HA ASN 76 HA ASN 76 3.091 -12.960 -8.424 609 1HB ASN 76 2HB ASN 76 1.907 -15.381 -7.066 610 2HB ASN 76 1HB ASN 76 1.507 -14.738 -8.652 611 1HD2 ASN 76 1HD2 ASN 76 4.264 -14.270 -9.397 612 2HD2 ASN 76 2HD2 ASN 76 4.952 -15.816 -9.721 613 H SER 77 H SER 77 1.492 -11.475 -8.228 614 HA SER 77 HA SER 77 -0.705 -11.635 -6.579 615 1HB SER 77 2HB SER 77 0.602 -11.414 -4.611 616 2HB SER 77 1HB SER 77 1.516 -10.076 -5.294 617 HG SER 77 HG SER 77 -0.138 -8.737 -4.965 618 H GLY 78 H GLY 78 1.219 -8.632 -6.694 619 1HA GLY 78 2HA GLY 78 0.135 -7.603 -9.058 620 2HA GLY 78 1HA GLY 78 -0.941 -7.168 -7.744 621 H LEU 79 H LEU 79 -0.018 -5.111 -8.959 622 HA LEU 79 HA LEU 79 1.753 -3.851 -7.048 623 1HB LEU 79 2HB LEU 79 3.386 -4.772 -8.518 624 2HB LEU 79 1HB LEU 79 2.482 -4.293 -9.937 625 HG LEU 79 HG LEU 79 3.067 -1.999 -9.641 626 1HD1 LEU 79 1HD1 LEU 79 3.697 -2.882 -6.909 627 2HD1 LEU 79 2HD1 LEU 79 3.099 -1.330 -7.490 628 3HD1 LEU 79 3HD1 LEU 79 4.816 -1.713 -7.604 629 1HD2 LEU 79 1HD2 LEU 79 5.730 -2.683 -9.098 630 2HD2 LEU 79 2HD2 LEU 79 4.954 -2.549 -10.675 631 3HD2 LEU 79 3HD2 LEU 79 5.004 -4.106 -9.847 632 H ILE 80 H ILE 80 1.065 -1.743 -6.763 633 HA ILE 80 HA ILE 80 -0.074 -0.278 -8.990 634 HB ILE 80 HB ILE 80 -2.213 0.194 -7.572 635 1HG1 ILE 80 2HG1 ILE 80 -2.994 -1.871 -6.405 636 2HG1 ILE 80 1HG1 ILE 80 -1.379 -2.547 -6.596 637 1HG2 ILE 80 1HG2 ILE 80 -3.281 -0.933 -9.181 638 2HG2 ILE 80 2HG2 ILE 80 -2.498 -2.458 -8.768 639 3HG2 ILE 80 3HG2 ILE 80 -1.666 -1.290 -9.794 640 1HD1 ILE 80 1HD1 ILE 80 -2.203 -1.243 -4.407 641 2HD1 ILE 80 2HD1 ILE 80 -1.520 0.101 -5.323 642 3HD1 ILE 80 3HD1 ILE 80 -0.522 -1.300 -4.935 643 H LYS 81 H LYS 81 -0.380 1.927 -8.637 644 HA LYS 81 HA LYS 81 1.072 2.991 -6.341 645 1HB LYS 81 2HB LYS 81 1.024 5.124 -7.642 646 2HB LYS 81 1HB LYS 81 1.850 3.799 -8.451 647 1HG LYS 81 2HG LYS 81 -1.000 4.025 -9.089 648 2HG LYS 81 1HG LYS 81 -0.015 5.397 -9.597 649 1HD LYS 81 2HD LYS 81 1.358 4.046 -10.946 650 2HD LYS 81 1HD LYS 81 0.787 2.561 -10.181 651 1HE LYS 81 2HE LYS 81 -0.909 4.394 -11.872 652 2HE LYS 81 1HE LYS 81 -0.139 2.918 -12.451 653 1HZ LYS 81 1HZ LYS 81 -1.781 1.705 -11.617 654 2HZ LYS 81 2HZ LYS 81 -2.620 3.135 -11.289 655 3HZ LYS 81 3HZ LYS 81 -1.655 2.430 -10.093 656 HA PRO 82 HA PRO 82 -3.057 4.186 -4.861 657 1HB PRO 82 2HB PRO 82 -2.666 3.687 -2.285 658 2HB PRO 82 1HB PRO 82 -2.859 2.352 -3.423 659 1HG PRO 82 2HG PRO 82 -0.368 3.456 -2.197 660 2HG PRO 82 1HG PRO 82 -0.821 1.766 -2.491 661 1HD PRO 82 2HD PRO 82 0.826 3.294 -4.126 662 2HD PRO 82 1HD PRO 82 -0.015 1.815 -4.612 663 H PHE 83 H PHE 83 -3.365 5.490 -2.539 664 HA PHE 83 HA PHE 83 -1.704 7.889 -2.866 665 1HB PHE 83 2HB PHE 83 -4.560 7.445 -2.348 666 2HB PHE 83 1HB PHE 83 -3.830 8.630 -1.270 667 HD1 PHE 83 1HD PHE 83 -2.160 10.293 -2.621 668 HD2 PHE 83 2HD PHE 83 -5.560 8.292 -4.218 669 HE1 PHE 83 1HE PHE 83 -2.338 12.006 -4.378 670 HE2 PHE 83 2HE PHE 83 -5.745 10.001 -5.977 671 HZ PHE 83 HZ PHE 83 -4.132 11.861 -6.061 672 H VAL 84 H VAL 84 -0.231 8.218 -1.330 673 HA VAL 84 HA VAL 84 -0.504 6.829 1.202 674 HB VAL 84 HB VAL 84 1.949 8.283 0.305 675 1HG1 VAL 84 1HG1 VAL 84 3.024 7.169 1.927 676 2HG1 VAL 84 2HG1 VAL 84 2.015 5.729 1.759 677 3HG1 VAL 84 3HG1 VAL 84 1.403 7.140 2.624 678 1HG2 VAL 84 1HG2 VAL 84 0.935 5.644 -0.657 679 2HG2 VAL 84 2HG2 VAL 84 2.670 5.914 -0.479 680 3HG2 VAL 84 3HG2 VAL 84 1.724 6.937 -1.563 681 H ILE 85 H ILE 85 -1.371 7.911 2.763 682 HA ILE 85 HA ILE 85 -0.593 10.724 3.161 683 HB ILE 85 HB ILE 85 -3.328 9.565 3.733 684 1HG1 ILE 85 2HG1 ILE 85 -4.004 11.272 1.944 685 2HG1 ILE 85 1HG1 ILE 85 -2.301 11.321 1.506 686 1HG2 ILE 85 1HG2 ILE 85 -2.628 11.321 5.301 687 2HG2 ILE 85 2HG2 ILE 85 -3.967 11.844 4.279 688 3HG2 ILE 85 3HG2 ILE 85 -2.329 12.404 3.941 689 1HD1 ILE 85 1HD1 ILE 85 -3.126 8.603 1.644 690 2HD1 ILE 85 2HD1 ILE 85 -2.557 9.525 0.251 691 3HD1 ILE 85 3HD1 ILE 85 -4.274 9.505 0.654 692 HA PRO 86 HA PRO 86 0.432 9.136 7.165 693 1HB PRO 86 2HB PRO 86 0.660 11.676 8.385 694 2HB PRO 86 1HB PRO 86 1.944 10.749 7.613 695 1HG PRO 86 2HG PRO 86 0.851 13.176 6.713 696 2HG PRO 86 1HG PRO 86 1.942 12.112 5.819 697 1HD PRO 86 2HD PRO 86 -0.995 12.429 5.596 698 2HD PRO 86 1HD PRO 86 0.186 11.931 4.369 699 H ASN 87 H ASN 87 -2.314 9.020 6.754 700 HA ASN 87 HA ASN 87 -3.272 9.838 9.390 701 1HB ASN 87 2HB ASN 87 -4.287 10.702 6.820 702 2HB ASN 87 1HB ASN 87 -5.539 9.890 7.753 703 1HD2 ASN 87 1HD2 ASN 87 -6.725 11.249 8.858 704 2HD2 ASN 87 2HD2 ASN 87 -6.179 12.700 9.623 705 H LEU 88 H LEU 88 -2.543 7.270 7.602 706 HA LEU 88 HA LEU 88 -3.093 5.067 7.681 707 1HB LEU 88 2HB LEU 88 -3.242 5.799 10.183 708 2HB LEU 88 1HB LEU 88 -4.968 5.606 9.949 709 HG LEU 88 HG LEU 88 -4.466 3.243 9.160 710 1HD1 LEU 88 1HD1 LEU 88 -2.183 3.264 8.673 711 2HD1 LEU 88 2HD1 LEU 88 -2.294 2.372 10.189 712 3HD1 LEU 88 3HD1 LEU 88 -1.772 4.056 10.194 713 1HD2 LEU 88 1HD2 LEU 88 -5.151 4.158 11.550 714 2HD2 LEU 88 2HD2 LEU 88 -3.571 3.500 11.978 715 3HD2 LEU 88 3HD2 LEU 88 -4.800 2.453 11.270 716 HA PRO 89 HA PRO 89 -7.112 5.886 5.528 717 1HB PRO 89 2HB PRO 89 -5.869 4.603 3.232 718 2HB PRO 89 1HB PRO 89 -6.511 6.239 3.375 719 1HG PRO 89 2HG PRO 89 -3.859 5.713 3.126 720 2HG PRO 89 1HG PRO 89 -4.487 7.121 3.999 721 1HD PRO 89 2HD PRO 89 -3.494 4.507 5.077 722 2HD PRO 89 1HD PRO 89 -3.202 6.157 5.670 723 H VAL 90 H VAL 90 -5.954 3.481 7.096 724 HA VAL 90 HA VAL 90 -6.792 1.448 7.672 725 HB VAL 90 HB VAL 90 -8.571 1.643 5.264 726 1HG1 VAL 90 1HG1 VAL 90 -9.818 0.265 7.368 727 2HG1 VAL 90 2HG1 VAL 90 -8.169 -0.356 7.289 728 3HG1 VAL 90 3HG1 VAL 90 -9.203 -0.409 5.862 729 1HG2 VAL 90 1HG2 VAL 90 -8.574 3.329 7.498 730 2HG2 VAL 90 2HG2 VAL 90 -9.905 2.199 7.750 731 3HG2 VAL 90 3HG2 VAL 90 -9.836 3.166 6.276 732 H ASN 91 H ASN 91 -5.060 2.167 4.983 733 HA ASN 91 HA ASN 91 -3.903 0.982 3.408 734 1HB ASN 91 2HB ASN 91 -2.943 0.234 5.653 735 2HB ASN 91 1HB ASN 91 -3.886 -1.238 5.448 736 1HD2 ASN 91 1HD2 ASN 91 -3.255 -2.749 3.967 737 2HD2 ASN 91 2HD2 ASN 91 -1.747 -2.679 3.125 738 H LEU 92 H LEU 92 -5.664 0.762 1.942 739 HA LEU 92 HA LEU 92 -6.900 -1.920 1.922 740 1HB LEU 92 2HB LEU 92 -7.894 0.775 1.229 741 2HB LEU 92 1HB LEU 92 -8.318 -0.485 0.086 742 HG LEU 92 HG LEU 92 -10.120 -0.287 1.623 743 1HD1 LEU 92 1HD1 LEU 92 -8.863 -2.639 1.128 744 2HD1 LEU 92 2HD1 LEU 92 -10.409 -2.485 1.961 745 3HD1 LEU 92 3HD1 LEU 92 -8.919 -2.644 2.890 746 1HD2 LEU 92 1HD2 LEU 92 -8.391 -0.905 3.973 747 2HD2 LEU 92 2HD2 LEU 92 -9.960 -0.105 3.909 748 3HD2 LEU 92 3HD2 LEU 92 -8.511 0.755 3.390 749 H TRP 93 H TRP 93 -6.519 -3.244 0.276 750 HA TRP 93 HA TRP 93 -4.577 -2.425 -1.703 751 1HB TRP 93 2HB TRP 93 -5.274 -4.856 -0.479 752 2HB TRP 93 1HB TRP 93 -5.674 -5.045 -2.176 753 HD1 TRP 93 HD TRP 93 -3.759 -6.018 -3.509 754 HE1 TRP 93 1HE TRP 93 -1.191 -5.930 -3.419 755 HE3 TRP 93 3HE TRP 93 -3.211 -2.996 0.569 756 HZ2 TRP 93 2HZ TRP 93 0.797 -4.741 -1.812 757 HZ3 TRP 93 3HZ TRP 93 -0.933 -2.441 1.324 758 HH2 TRP 93 HH TRP 93 1.023 -3.307 0.155 759 H GLY 94 H GLY 94 -4.949 -2.932 -4.004 760 1HA GLY 94 2HA GLY 94 -7.568 -1.911 -4.757 761 2HA GLY 94 1HA GLY 94 -6.153 -2.019 -5.780 762 H ARG 95 H ARG 95 -8.962 -2.891 -6.195 763 HA ARG 95 HA ARG 95 -9.421 -5.579 -5.986 764 1HB ARG 95 2HB ARG 95 -11.119 -4.095 -6.800 765 2HB ARG 95 1HB ARG 95 -10.171 -3.701 -8.224 766 1HG ARG 95 2HG ARG 95 -10.423 -5.995 -9.026 767 2HG ARG 95 1HG ARG 95 -11.365 -6.393 -7.589 768 1HD ARG 95 2HD ARG 95 -12.086 -4.544 -9.846 769 2HD ARG 95 1HD ARG 95 -12.938 -5.987 -9.298 770 HE ARG 95 HE ARG 95 -13.039 -4.363 -7.141 771 1HH1 ARG 95 1HH1 ARG 95 -13.867 -3.911 -10.500 772 2HH1 ARG 95 2HH1 ARG 95 -15.112 -2.754 -10.167 773 1HH2 ARG 95 1HH2 ARG 95 -14.677 -2.840 -6.701 774 2HH2 ARG 95 2HH2 ARG 95 -15.571 -2.147 -8.013 775 H ASP 96 H ASP 96 -7.456 -3.966 -8.450 776 HA ASP 96 HA ASP 96 -7.111 -6.125 -10.181 777 1HB ASP 96 2HB ASP 96 -5.657 -3.612 -9.606 778 2HB ASP 96 1HB ASP 96 -4.718 -4.872 -10.401 779 H LEU 97 H LEU 97 -5.102 -5.136 -7.418 780 HA LEU 97 HA LEU 97 -3.234 -7.218 -7.616 781 1HB LEU 97 2HB LEU 97 -4.109 -5.656 -5.192 782 2HB LEU 97 1HB LEU 97 -2.690 -6.677 -5.261 783 HG LEU 97 HG LEU 97 -2.967 -3.918 -5.970 784 1HD1 LEU 97 1HD1 LEU 97 -0.805 -5.906 -5.572 785 2HD1 LEU 97 2HD1 LEU 97 -1.094 -4.363 -4.767 786 3HD1 LEU 97 3HD1 LEU 97 -0.403 -4.397 -6.389 787 1HD2 LEU 97 1HD2 LEU 97 -1.632 -4.085 -8.124 788 2HD2 LEU 97 2HD2 LEU 97 -3.359 -4.420 -8.228 789 3HD2 LEU 97 3HD2 LEU 97 -2.201 -5.750 -8.223 790 H LEU 98 H LEU 98 -6.132 -6.951 -5.534 791 HA LEU 98 HA LEU 98 -5.858 -9.437 -4.284 792 1HB LEU 98 2HB LEU 98 -8.339 -7.837 -4.916 793 2HB LEU 98 1HB LEU 98 -8.352 -9.288 -3.933 794 HG LEU 98 HG LEU 98 -8.287 -7.708 -2.291 795 1HD1 LEU 98 1HD1 LEU 98 -5.342 -7.592 -2.776 796 2HD1 LEU 98 2HD1 LEU 98 -6.112 -9.119 -2.348 797 3HD1 LEU 98 3HD1 LEU 98 -6.223 -7.739 -1.256 798 1HD2 LEU 98 1HD2 LEU 98 -8.093 -5.916 -4.148 799 2HD2 LEU 98 2HD2 LEU 98 -6.383 -5.917 -3.723 800 3HD2 LEU 98 3HD2 LEU 98 -7.593 -5.519 -2.503 801 H SER 99 H SER 99 -7.825 -8.568 -7.115 802 HA SER 99 HA SER 99 -9.000 -10.919 -7.760 803 1HB SER 99 2HB SER 99 -9.170 -8.750 -9.027 804 2HB SER 99 1HB SER 99 -7.653 -9.170 -9.822 805 HG SER 99 HG SER 99 -10.018 -9.862 -10.597 806 H GLN 100 H GLN 100 -5.758 -9.972 -8.887 807 HA GLN 100 HA GLN 100 -5.197 -12.514 -10.045 808 1HB GLN 100 2HB GLN 100 -3.485 -10.153 -9.317 809 2HB GLN 100 1HB GLN 100 -2.820 -11.600 -10.061 810 1HG GLN 100 2HG GLN 100 -3.598 -11.064 -12.088 811 2HG GLN 100 1HG GLN 100 -5.142 -10.494 -11.455 812 1HE2 GLN 100 1HE2 GLN 100 -1.715 -9.572 -11.450 813 2HE2 GLN 100 2HE2 GLN 100 -1.992 -7.884 -11.686 814 H MET 101 H MET 101 -4.477 -11.012 -6.945 815 HA MET 101 HA MET 101 -2.549 -12.568 -5.872 816 1HB MET 101 2HB MET 101 -4.404 -10.771 -4.885 817 2HB MET 101 1HB MET 101 -4.731 -12.237 -3.970 818 1HG MET 101 2HG MET 101 -2.463 -12.336 -3.206 819 2HG MET 101 1HG MET 101 -2.011 -10.990 -4.252 820 1HE MET 101 1HE MET 101 -2.167 -8.561 -3.643 821 2HE MET 101 2HE MET 101 -3.393 -7.895 -2.567 822 3HE MET 101 3HE MET 101 -3.877 -8.735 -4.040 823 H LYS 102 H LYS 102 -5.987 -13.344 -5.253 824 HA LYS 102 HA LYS 102 -5.516 -16.131 -5.824 825 1HB LYS 102 2HB LYS 102 -4.678 -15.596 -3.417 826 2HB LYS 102 1HB LYS 102 -6.390 -15.557 -3.015 827 1HG LYS 102 2HG LYS 102 -5.676 -17.734 -2.521 828 2HG LYS 102 1HG LYS 102 -6.543 -17.863 -4.054 829 1HD LYS 102 2HD LYS 102 -3.702 -17.315 -4.401 830 2HD LYS 102 1HD LYS 102 -4.009 -18.820 -3.533 831 1HE LYS 102 2HE LYS 102 -5.370 -19.651 -5.315 832 2HE LYS 102 1HE LYS 102 -5.331 -18.092 -6.140 833 1HZ LYS 102 1HZ LYS 102 -2.900 -18.394 -6.378 834 2HZ LYS 102 2HZ LYS 102 -3.804 -19.561 -7.205 835 3HZ LYS 102 3HZ LYS 102 -3.054 -19.954 -5.741 836 H ILE 103 H ILE 103 -7.354 -13.987 -6.670 837 HA ILE 103 HA ILE 103 -9.916 -15.049 -5.694 838 HB ILE 103 HB ILE 103 -9.449 -12.608 -7.402 839 1HG1 ILE 103 2HG1 ILE 103 -9.928 -12.865 -4.425 840 2HG1 ILE 103 1HG1 ILE 103 -8.449 -12.305 -5.198 841 1HG2 ILE 103 1HG2 ILE 103 -11.903 -12.791 -5.832 842 2HG2 ILE 103 2HG2 ILE 103 -11.759 -14.042 -7.067 843 3HG2 ILE 103 3HG2 ILE 103 -11.666 -12.341 -7.521 844 1HD1 ILE 103 1HD1 ILE 103 -11.097 -10.909 -5.462 845 2HD1 ILE 103 2HD1 ILE 103 -9.510 -10.315 -5.951 846 3HD1 ILE 103 3HD1 ILE 103 -9.890 -10.512 -4.240 847 H MET 104 H MET 104 -8.757 -13.824 -8.841 848 HA MET 104 HA MET 104 -10.552 -15.442 -10.321 849 1HB MET 104 2HB MET 104 -9.400 -14.650 -12.282 850 2HB MET 104 1HB MET 104 -9.557 -13.314 -11.151 851 1HG MET 104 2HG MET 104 -7.206 -13.830 -10.402 852 2HG MET 104 1HG MET 104 -7.100 -14.921 -11.782 853 1HE MET 104 1HE MET 104 -4.997 -13.575 -12.927 854 2HE MET 104 2HE MET 104 -5.660 -12.730 -14.327 855 3HE MET 104 3HE MET 104 -6.265 -14.330 -13.893 856 H MET 105 H MET 105 -10.362 -17.465 -11.092 857 HA MET 105 HA MET 105 -8.459 -19.240 -10.081 858 1HB MET 105 2HB MET 105 -9.317 -20.812 -11.839 859 2HB MET 105 1HB MET 105 -10.562 -20.092 -10.829 860 1HG MET 105 2HG MET 105 -10.084 -18.483 -13.166 861 2HG MET 105 1HG MET 105 -10.451 -20.148 -13.613 862 1HE MET 105 1HE MET 105 -13.167 -16.975 -13.216 863 2HE MET 105 2HE MET 105 -11.414 -16.931 -13.016 864 3HE MET 105 3HE MET 105 -12.465 -16.915 -11.599 865 H ALA 106 H ALA 106 -6.396 -18.368 -10.456 866 HA ALA 106 HA ALA 106 -5.500 -18.254 -13.248 867 1HB ALA 106 1HB ALA 106 -5.052 -16.304 -11.794 868 2HB ALA 106 2HB ALA 106 -3.582 -17.035 -12.438 869 3HB ALA 106 3HB ALA 106 -4.055 -17.332 -10.766 870 H SER 107 H SER 107 -4.914 -20.221 -13.941 871 HA SER 107 HA SER 107 -3.758 -22.164 -14.148 872 1HB SER 107 2HB SER 107 -1.539 -22.206 -13.444 873 2HB SER 107 1HB SER 107 -1.875 -20.475 -13.478 874 HG SER 107 HG SER 107 -0.877 -21.001 -11.537 Start of MODEL 10 1 1H TRP 1 1HT TRP 1 7.949 -14.045 5.826 2 2H TRP 1 2HT TRP 1 8.298 -14.776 7.339 3 3H TRP 1 3HT TRP 1 6.671 -14.618 6.815 4 HA TRP 1 HA TRP 1 8.612 -16.102 5.218 5 1HB TRP 1 2HB TRP 1 7.786 -18.140 6.481 6 2HB TRP 1 1HB TRP 1 8.877 -17.088 7.375 7 HD1 TRP 1 HD TRP 1 5.008 -17.254 6.968 8 HE1 TRP 1 1HE TRP 1 3.963 -16.975 9.304 9 HE3 TRP 1 3HE TRP 1 9.289 -16.750 9.717 10 HZ2 TRP 1 2HZ TRP 1 4.838 -16.593 11.960 11 HZ3 TRP 1 3HZ TRP 1 9.098 -16.431 12.150 12 HH2 TRP 1 HH TRP 1 6.918 -16.354 13.246 13 H VAL 2 H VAL 2 7.276 -18.104 4.392 14 HA VAL 2 HA VAL 2 5.103 -17.039 2.880 15 HB VAL 2 HB VAL 2 4.897 -19.289 1.930 16 1HG1 VAL 2 1HG1 VAL 2 6.688 -18.988 0.615 17 2HG1 VAL 2 2HG1 VAL 2 7.818 -19.076 1.965 18 3HG1 VAL 2 3HG1 VAL 2 6.983 -17.564 1.611 19 1HG2 VAL 2 1HG2 VAL 2 6.242 -21.131 2.669 20 2HG2 VAL 2 2HG2 VAL 2 5.357 -20.504 4.058 21 3HG2 VAL 2 3HG2 VAL 2 7.065 -20.118 3.855 22 H GLN 3 H GLN 3 2.917 -17.373 3.077 23 HA GLN 3 HA GLN 3 1.961 -19.146 5.196 24 1HB GLN 3 2HB GLN 3 2.309 -16.668 5.962 25 2HB GLN 3 1HB GLN 3 0.822 -16.381 5.070 26 1HG GLN 3 2HG GLN 3 -0.159 -16.849 7.023 27 2HG GLN 3 1HG GLN 3 0.108 -18.526 6.546 28 1HE2 GLN 3 1HE2 GLN 3 0.125 -16.825 9.146 29 2HE2 GLN 3 2HE2 GLN 3 1.515 -17.424 9.980 30 HA PRO 4 HA PRO 4 -0.745 -19.535 1.534 31 1HB PRO 4 2HB PRO 4 -1.269 -22.158 1.834 32 2HB PRO 4 1HB PRO 4 0.244 -21.583 1.121 33 1HG PRO 4 2HG PRO 4 -0.297 -22.534 3.909 34 2HG PRO 4 1HG PRO 4 1.082 -22.893 2.852 35 1HD PRO 4 2HD PRO 4 1.156 -21.024 4.843 36 2HD PRO 4 1HD PRO 4 2.149 -20.929 3.377 37 H ILE 5 H ILE 5 -2.327 -18.213 2.582 38 HA ILE 5 HA ILE 5 -4.010 -19.278 4.644 39 HB ILE 5 HB ILE 5 -3.597 -16.876 4.482 40 1HG1 ILE 5 2HG1 ILE 5 -5.884 -18.033 5.225 41 2HG1 ILE 5 1HG1 ILE 5 -5.671 -16.287 5.249 42 1HG2 ILE 5 1HG2 ILE 5 -5.028 -15.712 2.612 43 2HG2 ILE 5 2HG2 ILE 5 -4.769 -17.240 1.772 44 3HG2 ILE 5 3HG2 ILE 5 -3.388 -16.272 2.288 45 1HD1 ILE 5 1HD1 ILE 5 -7.010 -17.880 3.074 46 2HD1 ILE 5 2HD1 ILE 5 -6.790 -16.130 3.080 47 3HD1 ILE 5 3HD1 ILE 5 -7.813 -16.895 4.297 48 H THR 6 H THR 6 -6.121 -19.984 4.501 49 HA THR 6 HA THR 6 -7.019 -20.718 1.794 50 HB THR 6 HB THR 6 -8.421 -22.438 3.158 51 HG1 THR 6 1HG THR 6 -7.350 -23.044 5.092 52 1HG2 THR 6 1HG2 THR 6 -6.911 -24.067 2.721 53 2HG2 THR 6 2HG2 THR 6 -5.552 -23.135 3.348 54 3HG2 THR 6 3HG2 THR 6 -6.209 -22.772 1.752 55 H ALA 7 H ALA 7 -9.350 -20.768 1.438 56 HA ALA 7 HA ALA 7 -11.424 -19.831 1.452 57 1HB ALA 7 1HB ALA 7 -10.931 -19.165 4.349 58 2HB ALA 7 2HB ALA 7 -11.432 -20.758 3.783 59 3HB ALA 7 3HB ALA 7 -12.484 -19.364 3.535 60 H GLN 8 H GLN 8 -12.600 -17.677 1.989 61 HA GLN 8 HA GLN 8 -10.778 -15.538 1.203 62 1HB GLN 8 2HB GLN 8 -13.701 -16.026 0.972 63 2HB GLN 8 1HB GLN 8 -13.177 -14.352 1.093 64 1HG GLN 8 2HG GLN 8 -13.192 -14.643 -1.171 65 2HG GLN 8 1HG GLN 8 -11.515 -15.035 -0.796 66 1HE2 GLN 8 1HE2 GLN 8 -14.675 -16.397 -1.491 67 2HE2 GLN 8 2HE2 GLN 8 -14.100 -17.916 -2.078 68 H LYS 9 H LYS 9 -9.799 -14.650 2.892 69 HA LYS 9 HA LYS 9 -11.458 -13.332 4.892 70 1HB LYS 9 2HB LYS 9 -9.348 -15.388 5.486 71 2HB LYS 9 1HB LYS 9 -9.694 -14.105 6.637 72 1HG LYS 9 2HG LYS 9 -12.194 -15.039 6.088 73 2HG LYS 9 1HG LYS 9 -11.222 -16.509 5.980 74 1HD LYS 9 2HD LYS 9 -10.402 -14.987 8.267 75 2HD LYS 9 1HD LYS 9 -12.153 -15.201 8.303 76 1HE LYS 9 2HE LYS 9 -10.929 -17.666 7.536 77 2HE LYS 9 1HE LYS 9 -10.144 -17.065 8.995 78 1HZ LYS 9 1HZ LYS 9 -12.805 -18.104 8.637 79 2HZ LYS 9 2HZ LYS 9 -12.756 -16.671 9.532 80 3HZ LYS 9 3HZ LYS 9 -11.859 -18.014 10.037 81 HA PRO 10 HA PRO 10 -8.495 -10.128 4.225 82 1HB PRO 10 2HB PRO 10 -8.743 -8.683 6.487 83 2HB PRO 10 1HB PRO 10 -10.020 -8.746 5.267 84 1HG PRO 10 2HG PRO 10 -9.793 -10.241 7.851 85 2HG PRO 10 1HG PRO 10 -11.210 -9.453 7.136 86 1HD PRO 10 2HD PRO 10 -10.757 -12.137 6.987 87 2HD PRO 10 1HD PRO 10 -11.660 -11.232 5.757 88 H SER 11 H SER 11 -7.135 -12.413 4.876 89 HA SER 11 HA SER 11 -4.918 -11.334 6.390 90 1HB SER 11 2HB SER 11 -6.722 -12.782 7.834 91 2HB SER 11 1HB SER 11 -5.604 -14.047 7.321 92 HG SER 11 HG SER 11 -4.727 -11.621 8.484 93 H LEU 12 H LEU 12 -3.182 -11.752 5.218 94 HA LEU 12 HA LEU 12 -2.570 -14.382 4.296 95 1HB LEU 12 2HB LEU 12 -3.596 -14.233 2.313 96 2HB LEU 12 1HB LEU 12 -3.886 -12.517 2.499 97 HG LEU 12 HG LEU 12 -1.153 -13.442 1.708 98 1HD1 LEU 12 1HD1 LEU 12 -3.586 -13.347 -0.060 99 2HD1 LEU 12 2HD1 LEU 12 -2.454 -14.679 0.171 100 3HD1 LEU 12 3HD1 LEU 12 -1.941 -13.225 -0.682 101 1HD2 LEU 12 1HD2 LEU 12 -1.948 -11.217 0.254 102 2HD2 LEU 12 2HD2 LEU 12 -0.922 -11.225 1.689 103 3HD2 LEU 12 3HD2 LEU 12 -2.657 -10.968 1.849 104 H THR 13 H THR 13 -0.435 -14.605 4.472 105 HA THR 13 HA THR 13 1.188 -12.204 4.770 106 HB THR 13 HB THR 13 2.388 -14.905 5.051 107 HG1 THR 13 1HG THR 13 0.648 -13.869 7.030 108 1HG2 THR 13 1HG2 THR 13 3.007 -12.290 5.897 109 2HG2 THR 13 2HG2 THR 13 3.902 -13.780 6.189 110 3HG2 THR 13 3HG2 THR 13 2.673 -13.250 7.338 111 H LEU 14 H LEU 14 2.117 -11.375 3.073 112 HA LEU 14 HA LEU 14 3.512 -13.110 1.171 113 1HB LEU 14 2HB LEU 14 1.823 -10.752 0.339 114 2HB LEU 14 1HB LEU 14 2.755 -11.784 -0.719 115 HG LEU 14 HG LEU 14 0.239 -12.469 0.781 116 1HD1 LEU 14 1HD1 LEU 14 0.959 -11.936 -2.040 117 2HD1 LEU 14 2HD1 LEU 14 -0.511 -11.543 -1.150 118 3HD1 LEU 14 3HD1 LEU 14 -0.244 -13.187 -1.730 119 1HD2 LEU 14 1HD2 LEU 14 0.878 -14.623 -0.853 120 2HD2 LEU 14 2HD2 LEU 14 0.892 -14.576 0.907 121 3HD2 LEU 14 3HD2 LEU 14 2.369 -14.242 0.005 122 H TRP 15 H TRP 15 4.992 -11.582 -0.270 123 HA TRP 15 HA TRP 15 6.159 -9.721 1.666 124 1HB TRP 15 2HB TRP 15 8.263 -10.225 0.943 125 2HB TRP 15 1HB TRP 15 7.446 -11.753 0.695 126 HD1 TRP 15 HD TRP 15 6.295 -10.020 -2.235 127 HE1 TRP 15 1HE TRP 15 7.878 -10.358 -4.223 128 HE3 TRP 15 3HE TRP 15 10.421 -11.758 0.243 129 HZ2 TRP 15 2HZ TRP 15 10.495 -11.243 -4.711 130 HZ3 TRP 15 3HZ TRP 15 12.415 -12.330 -1.072 131 HH2 TRP 15 HH TRP 15 12.453 -12.081 -3.494 132 H LEU 16 H LEU 16 6.920 -7.749 1.138 133 HA LEU 16 HA LEU 16 6.231 -6.615 -1.450 134 1HB LEU 16 2HB LEU 16 5.222 -4.618 -0.225 135 2HB LEU 16 1HB LEU 16 4.246 -6.069 -0.342 136 HG LEU 16 HG LEU 16 5.823 -6.077 2.087 137 1HD1 LEU 16 1HD1 LEU 16 4.430 -3.587 1.363 138 2HD1 LEU 16 2HD1 LEU 16 5.749 -3.866 2.500 139 3HD1 LEU 16 3HD1 LEU 16 4.087 -4.220 2.973 140 1HD2 LEU 16 1HD2 LEU 16 3.962 -7.536 1.830 141 2HD2 LEU 16 2HD2 LEU 16 2.887 -6.195 1.433 142 3HD2 LEU 16 3HD2 LEU 16 3.530 -6.355 3.067 143 H ASP 17 H ASP 17 7.351 -4.674 -1.944 144 HA ASP 17 HA ASP 17 9.296 -3.479 -2.057 145 1HB ASP 17 2HB ASP 17 7.996 -2.955 0.491 146 2HB ASP 17 1HB ASP 17 9.731 -2.661 0.571 147 H ASP 18 H ASP 18 9.596 -6.352 -1.479 148 HA ASP 18 HA ASP 18 11.360 -7.770 -1.227 149 1HB ASP 18 2HB ASP 18 13.058 -5.447 -0.320 150 2HB ASP 18 1HB ASP 18 13.587 -6.964 -1.041 151 H LYS 19 H LYS 19 9.541 -7.675 0.766 152 HA LYS 19 HA LYS 19 10.995 -8.721 2.959 153 1HB LYS 19 2HB LYS 19 10.485 -7.142 4.681 154 2HB LYS 19 1HB LYS 19 11.277 -6.272 3.378 155 1HG LYS 19 2HG LYS 19 9.587 -4.852 3.286 156 2HG LYS 19 1HG LYS 19 8.480 -6.173 2.918 157 1HD LYS 19 2HD LYS 19 7.618 -5.148 4.858 158 2HD LYS 19 1HD LYS 19 8.411 -6.622 5.414 159 1HE LYS 19 2HE LYS 19 10.459 -4.866 5.568 160 2HE LYS 19 1HE LYS 19 9.095 -3.799 5.898 161 1HZ LYS 19 1HZ LYS 19 10.299 -5.187 7.784 162 2HZ LYS 19 2HZ LYS 19 9.156 -6.343 7.321 163 3HZ LYS 19 3HZ LYS 19 8.649 -4.819 7.850 164 H MET 20 H MET 20 9.777 -10.269 3.831 165 HA MET 20 HA MET 20 7.083 -10.616 2.986 166 1HB MET 20 2HB MET 20 8.977 -12.124 4.713 167 2HB MET 20 1HB MET 20 7.261 -12.470 4.872 168 1HG MET 20 2HG MET 20 8.559 -12.452 2.181 169 2HG MET 20 1HG MET 20 8.687 -13.861 3.233 170 1HE MET 20 1HE MET 20 6.938 -15.203 0.792 171 2HE MET 20 2HE MET 20 7.749 -13.679 0.438 172 3HE MET 20 3HE MET 20 6.022 -13.855 0.119 173 H PHE 21 H PHE 21 5.307 -9.848 3.824 174 HA PHE 21 HA PHE 21 5.101 -9.311 6.686 175 1HB PHE 21 2HB PHE 21 5.761 -7.220 5.252 176 2HB PHE 21 1HB PHE 21 4.074 -7.256 4.754 177 HD1 PHE 21 1HD PHE 21 2.610 -5.961 5.933 178 HD2 PHE 21 2HD PHE 21 6.080 -7.443 7.896 179 HE1 PHE 21 1HE PHE 21 1.978 -4.731 7.969 180 HE2 PHE 21 2HE PHE 21 5.455 -6.218 9.937 181 HZ PHE 21 HZ PHE 21 3.401 -4.860 9.974 182 H THR 22 H THR 22 2.660 -8.451 7.033 183 HA THR 22 HA THR 22 0.970 -10.379 5.584 184 HB THR 22 HB THR 22 0.096 -9.225 8.185 185 HG1 THR 22 1HG THR 22 1.971 -11.341 8.028 186 1HG2 THR 22 1HG2 THR 22 -0.796 -11.434 8.563 187 2HG2 THR 22 2HG2 THR 22 -0.035 -12.019 7.083 188 3HG2 THR 22 3HG2 THR 22 -1.329 -10.823 6.997 189 H GLY 23 H GLY 23 -1.234 -9.792 5.152 190 1HA GLY 23 2HA GLY 23 -1.877 -6.940 5.267 191 2HA GLY 23 1HA GLY 23 -1.796 -7.684 3.677 192 H LEU 24 H LEU 24 -4.137 -6.591 4.205 193 HA LEU 24 HA LEU 24 -5.855 -8.798 5.130 194 1HB LEU 24 2HB LEU 24 -7.564 -6.712 5.071 195 2HB LEU 24 1HB LEU 24 -6.664 -7.208 6.486 196 HG LEU 24 HG LEU 24 -6.630 -4.779 6.165 197 1HD1 LEU 24 1HD1 LEU 24 -4.642 -4.726 7.131 198 2HD1 LEU 24 2HD1 LEU 24 -3.831 -5.188 5.636 199 3HD1 LEU 24 3HD1 LEU 24 -4.459 -6.432 6.718 200 1HD2 LEU 24 1HD2 LEU 24 -6.769 -4.417 3.870 201 2HD2 LEU 24 2HD2 LEU 24 -5.430 -5.505 3.518 202 3HD2 LEU 24 3HD2 LEU 24 -5.118 -3.944 4.271 203 H ILE 25 H ILE 25 -6.645 -9.942 3.510 204 HA ILE 25 HA ILE 25 -6.882 -8.898 0.854 205 HB ILE 25 HB ILE 25 -8.103 -11.471 1.838 206 1HG1 ILE 25 2HG1 ILE 25 -5.778 -11.458 2.560 207 2HG1 ILE 25 1HG1 ILE 25 -5.966 -12.555 1.195 208 1HG2 ILE 25 1HG2 ILE 25 -7.852 -12.193 -0.442 209 2HG2 ILE 25 2HG2 ILE 25 -7.000 -10.706 -0.859 210 3HG2 ILE 25 3HG2 ILE 25 -8.706 -10.649 -0.420 211 1HD1 ILE 25 1HD1 ILE 25 -4.374 -10.128 1.448 212 2HD1 ILE 25 2HD1 ILE 25 -5.311 -10.218 -0.042 213 3HD1 ILE 25 3HD1 ILE 25 -4.183 -11.510 0.369 214 H ASN 26 H ASN 26 -8.538 -7.869 -0.019 215 HA ASN 26 HA ASN 26 -11.194 -8.168 1.212 216 1HB ASN 26 2HB ASN 26 -11.399 -5.681 0.227 217 2HB ASN 26 1HB ASN 26 -10.861 -6.011 1.870 218 1HD2 ASN 26 1HD2 ASN 26 -9.421 -4.475 2.276 219 2HD2 ASN 26 2HD2 ASN 26 -8.036 -4.117 1.307 220 H THR 27 H THR 27 -12.208 -9.419 -0.230 221 HA THR 27 HA THR 27 -11.769 -9.550 -2.968 222 HB THR 27 HB THR 27 -13.052 -11.186 -1.579 223 HG1 THR 27 1HG THR 27 -13.219 -11.429 -3.767 224 1HG2 THR 27 1HG2 THR 27 -14.795 -8.961 -1.175 225 2HG2 THR 27 2HG2 THR 27 -14.836 -10.564 -0.443 226 3HG2 THR 27 3HG2 THR 27 -15.668 -10.271 -1.970 227 H GLY 28 H GLY 28 -13.420 -7.161 -1.134 228 1HA GLY 28 2HA GLY 28 -14.533 -5.994 -3.605 229 2HA GLY 28 1HA GLY 28 -15.211 -5.740 -2.004 230 H ALA 29 H ALA 29 -11.874 -5.572 -3.195 231 HA ALA 29 HA ALA 29 -11.534 -3.003 -1.872 232 1HB ALA 29 1HB ALA 29 -9.214 -3.862 -3.325 233 2HB ALA 29 2HB ALA 29 -9.861 -5.202 -2.377 234 3HB ALA 29 3HB ALA 29 -9.438 -3.684 -1.583 235 H ASP 30 H ASP 30 -11.835 -1.163 -2.939 236 HA ASP 30 HA ASP 30 -11.328 -1.126 -5.837 237 1HB ASP 30 2HB ASP 30 -13.720 -1.230 -5.568 238 2HB ASP 30 1HB ASP 30 -13.690 0.063 -4.377 239 H VAL 31 H VAL 31 -10.366 0.054 -2.956 240 HA VAL 31 HA VAL 31 -9.466 2.569 -4.177 241 HB VAL 31 HB VAL 31 -11.283 2.969 -2.509 242 1HG1 VAL 31 1HG1 VAL 31 -9.368 2.309 -0.320 243 2HG1 VAL 31 2HG1 VAL 31 -10.363 1.035 -1.024 244 3HG1 VAL 31 3HG1 VAL 31 -11.127 2.439 -0.278 245 1HG2 VAL 31 1HG2 VAL 31 -8.856 4.305 -2.835 246 2HG2 VAL 31 2HG2 VAL 31 -9.145 4.278 -1.096 247 3HG2 VAL 31 3HG2 VAL 31 -10.358 4.957 -2.180 248 H THR 32 H THR 32 -7.410 2.032 -4.613 249 HA THR 32 HA THR 32 -5.793 0.447 -2.853 250 HB THR 32 HB THR 32 -4.033 1.609 -4.615 251 HG1 THR 32 1HG THR 32 -5.430 2.711 -5.839 252 1HG2 THR 32 1HG2 THR 32 -5.071 -0.912 -4.225 253 2HG2 THR 32 2HG2 THR 32 -3.781 -0.467 -5.343 254 3HG2 THR 32 3HG2 THR 32 -5.449 -0.554 -5.910 255 H ILE 33 H ILE 33 -5.366 1.334 -0.951 256 HA ILE 33 HA ILE 33 -3.986 3.935 -0.940 257 HB ILE 33 HB ILE 33 -5.676 3.192 1.404 258 1HG1 ILE 33 2HG1 ILE 33 -7.214 2.947 -0.477 259 2HG1 ILE 33 1HG1 ILE 33 -7.589 4.416 0.420 260 1HG2 ILE 33 1HG2 ILE 33 -4.965 5.839 0.159 261 2HG2 ILE 33 2HG2 ILE 33 -4.124 5.084 1.513 262 3HG2 ILE 33 3HG2 ILE 33 -5.803 5.590 1.690 263 1HD1 ILE 33 1HD1 ILE 33 -7.002 4.114 -2.337 264 2HD1 ILE 33 2HD1 ILE 33 -5.743 5.104 -1.602 265 3HD1 ILE 33 3HD1 ILE 33 -7.435 5.575 -1.451 266 H ILE 34 H ILE 34 -2.183 4.048 0.224 267 HA ILE 34 HA ILE 34 -1.614 1.970 2.201 268 HB ILE 34 HB ILE 34 -0.384 2.049 -0.340 269 1HG1 ILE 34 2HG1 ILE 34 1.099 0.260 0.809 270 2HG1 ILE 34 1HG1 ILE 34 0.097 0.559 2.226 271 1HG2 ILE 34 1HG2 ILE 34 1.127 3.781 0.324 272 2HG2 ILE 34 2HG2 ILE 34 2.023 2.262 0.318 273 3HG2 ILE 34 3HG2 ILE 34 1.481 2.961 1.845 274 1HD1 ILE 34 1HD1 ILE 34 -0.415 -1.206 0.149 275 2HD1 ILE 34 2HD1 ILE 34 -1.519 0.142 -0.125 276 3HD1 ILE 34 3HD1 ILE 34 -1.532 -0.707 1.420 277 H LYS 35 H LYS 35 -1.366 3.013 4.010 278 HA LYS 35 HA LYS 35 -1.164 5.677 4.450 279 1HB LYS 35 2HB LYS 35 -0.002 4.962 6.680 280 2HB LYS 35 1HB LYS 35 -1.652 4.463 6.354 281 1HG LYS 35 2HG LYS 35 0.437 2.607 5.438 282 2HG LYS 35 1HG LYS 35 0.281 2.799 7.183 283 1HD LYS 35 2HD LYS 35 -2.323 2.563 6.432 284 2HD LYS 35 1HD LYS 35 -1.519 1.514 5.262 285 1HE LYS 35 2HE LYS 35 -0.789 1.297 8.144 286 2HE LYS 35 1HE LYS 35 -2.305 0.587 7.591 287 1HZ LYS 35 1HZ LYS 35 -0.995 -1.167 7.161 288 2HZ LYS 35 2HZ LYS 35 0.424 -0.250 7.085 289 3HZ LYS 35 3HZ LYS 35 -0.606 -0.323 5.746 290 H LEU 36 H LEU 36 0.520 6.988 5.428 291 HA LEU 36 HA LEU 36 2.800 7.087 3.721 292 1HB LEU 36 2HB LEU 36 1.402 8.858 5.369 293 2HB LEU 36 1HB LEU 36 3.016 8.779 6.049 294 HG LEU 36 HG LEU 36 3.198 9.052 3.193 295 1HD1 LEU 36 1HD1 LEU 36 0.877 10.144 3.872 296 2HD1 LEU 36 2HD1 LEU 36 1.944 10.871 2.673 297 3HD1 LEU 36 3HD1 LEU 36 1.933 11.479 4.327 298 1HD2 LEU 36 1HD2 LEU 36 4.859 10.472 3.743 299 2HD2 LEU 36 2HD2 LEU 36 4.655 9.760 5.343 300 3HD2 LEU 36 3HD2 LEU 36 3.892 11.303 4.962 301 H GLU 37 H GLU 37 2.230 5.896 6.951 302 HA GLU 37 HA GLU 37 4.839 5.888 7.935 303 1HB GLU 37 2HB GLU 37 4.024 3.842 9.264 304 2HB GLU 37 1HB GLU 37 3.185 5.369 9.501 305 1HG GLU 37 2HG GLU 37 1.260 4.579 8.692 306 2HG GLU 37 1HG GLU 37 2.053 3.700 7.385 307 H ASP 38 H ASP 38 3.404 3.989 5.452 308 HA ASP 38 HA ASP 38 5.548 2.001 5.542 309 1HB ASP 38 2HB ASP 38 2.825 1.916 4.784 310 2HB ASP 38 1HB ASP 38 3.762 1.638 3.319 311 H TRP 39 H TRP 39 4.796 4.931 4.005 312 HA TRP 39 HA TRP 39 6.017 4.481 1.483 313 1HB TRP 39 2HB TRP 39 4.772 6.365 1.273 314 2HB TRP 39 1HB TRP 39 4.935 6.781 2.977 315 HD1 TRP 39 HD TRP 39 6.699 7.257 -0.399 316 HE1 TRP 39 1HE TRP 39 8.352 9.215 -0.194 317 HE3 TRP 39 3HE TRP 39 6.281 8.144 4.617 318 HZ2 TRP 39 2HZ TRP 39 9.331 10.930 1.826 319 HZ3 TRP 39 3HZ TRP 39 7.607 9.965 5.608 320 HH2 TRP 39 HH TRP 39 9.099 11.329 4.240 321 HA PRO 40 HA PRO 40 10.286 4.708 2.654 322 1HB PRO 40 2HB PRO 40 11.041 5.632 0.026 323 2HB PRO 40 1HB PRO 40 11.243 4.030 0.732 324 1HG PRO 40 2HG PRO 40 9.525 4.631 -1.327 325 2HG PRO 40 1HG PRO 40 9.374 3.239 -0.262 326 1HD PRO 40 2HD PRO 40 7.866 5.784 -0.267 327 2HD PRO 40 1HD PRO 40 7.340 4.159 0.200 328 HA PRO 41 HA PRO 41 10.732 9.119 3.382 329 1HB PRO 41 2HB PRO 41 12.814 8.980 5.080 330 2HB PRO 41 1HB PRO 41 11.177 8.527 5.567 331 1HG PRO 41 2HG PRO 41 13.467 6.779 4.761 332 2HG PRO 41 1HG PRO 41 12.303 6.562 6.082 333 1HD PRO 41 2HD PRO 41 12.118 5.281 3.670 334 2HD PRO 41 1HD PRO 41 10.718 5.652 4.694 335 H ASN 42 H ASN 42 12.700 7.060 1.627 336 HA ASN 42 HA ASN 42 15.073 8.531 1.349 337 1HB ASN 42 2HB ASN 42 14.454 6.119 0.559 338 2HB ASN 42 1HB ASN 42 13.926 6.930 -0.912 339 1HD2 ASN 42 1HD2 ASN 42 15.405 6.667 -2.411 340 2HD2 ASN 42 2HD2 ASN 42 17.111 6.838 -2.201 341 H TRP 43 H TRP 43 11.978 8.699 -0.354 342 HA TRP 43 HA TRP 43 12.933 11.198 -1.597 343 1HB TRP 43 2HB TRP 43 11.755 10.693 -3.628 344 2HB TRP 43 1HB TRP 43 12.778 9.316 -3.235 345 HD1 TRP 43 HD TRP 43 9.077 10.337 -2.675 346 HE1 TRP 43 1HE TRP 43 7.620 8.242 -2.949 347 HE3 TRP 43 3HE TRP 43 12.768 6.910 -3.478 348 HZ2 TRP 43 2HZ TRP 43 7.987 5.493 -3.443 349 HZ3 TRP 43 3HZ TRP 43 12.131 4.562 -3.834 350 HH2 TRP 43 HH TRP 43 9.786 3.873 -3.818 351 HA PRO 44 HA PRO 44 9.315 13.108 0.068 352 1HB PRO 44 2HB PRO 44 9.049 14.876 -2.209 353 2HB PRO 44 1HB PRO 44 9.612 15.248 -0.580 354 1HG PRO 44 2HG PRO 44 11.243 15.264 -2.765 355 2HG PRO 44 1HG PRO 44 11.813 14.917 -1.122 356 1HD PRO 44 2HD PRO 44 11.203 13.025 -3.359 357 2HD PRO 44 1HD PRO 44 12.519 12.977 -2.167 358 H ILE 45 H ILE 45 7.052 13.657 -0.377 359 HA ILE 45 HA ILE 45 5.941 12.251 -2.696 360 HB ILE 45 HB ILE 45 4.134 11.370 -1.187 361 1HG1 ILE 45 2HG1 ILE 45 5.692 11.247 1.199 362 2HG1 ILE 45 1HG1 ILE 45 5.579 12.937 0.721 363 1HG2 ILE 45 1HG2 ILE 45 5.487 9.478 -0.443 364 2HG2 ILE 45 2HG2 ILE 45 6.952 10.426 -0.700 365 3HG2 ILE 45 3HG2 ILE 45 5.940 9.983 -2.071 366 1HD1 ILE 45 1HD1 ILE 45 3.093 12.577 0.535 367 2HD1 ILE 45 2HD1 ILE 45 3.778 12.540 2.160 368 3HD1 ILE 45 3HD1 ILE 45 3.354 11.031 1.346 369 H THR 46 H THR 46 3.441 12.557 -2.649 370 HA THR 46 HA THR 46 2.951 15.290 -3.119 371 HB THR 46 HB THR 46 0.460 13.987 -2.900 372 HG1 THR 46 1HG THR 46 0.759 12.062 -3.842 373 1HG2 THR 46 1HG2 THR 46 0.446 14.060 -5.321 374 2HG2 THR 46 2HG2 THR 46 2.178 14.392 -5.335 375 3HG2 THR 46 3HG2 THR 46 1.059 15.572 -4.654 376 H ASP 47 H ASP 47 0.660 16.102 -2.218 377 HA ASP 47 HA ASP 47 -0.153 15.679 0.359 378 1HB ASP 47 2HB ASP 47 2.403 16.688 0.479 379 2HB ASP 47 1HB ASP 47 1.420 18.137 0.666 380 H THR 48 H THR 48 0.085 17.708 -2.418 381 HA THR 48 HA THR 48 -2.177 19.311 -1.407 382 HB THR 48 HB THR 48 -0.065 20.210 -3.366 383 HG1 THR 48 1HG THR 48 0.958 21.005 -1.719 384 1HG2 THR 48 1HG2 THR 48 -1.795 22.146 -1.976 385 2HG2 THR 48 2HG2 THR 48 -2.534 21.213 -3.277 386 3HG2 THR 48 3HG2 THR 48 -1.102 22.192 -3.598 387 H LEU 49 H LEU 49 -3.825 18.140 -2.258 388 HA LEU 49 HA LEU 49 -3.921 17.579 -5.126 389 1HB LEU 49 2HB LEU 49 -4.638 15.986 -3.184 390 2HB LEU 49 1HB LEU 49 -6.103 16.940 -3.180 391 HG LEU 49 HG LEU 49 -5.445 16.064 -5.862 392 1HD1 LEU 49 1HD1 LEU 49 -6.252 13.631 -5.055 393 2HD1 LEU 49 2HD1 LEU 49 -5.246 14.091 -3.681 394 3HD1 LEU 49 3HD1 LEU 49 -4.561 14.066 -5.305 395 1HD2 LEU 49 1HD2 LEU 49 -7.709 15.587 -5.969 396 2HD2 LEU 49 2HD2 LEU 49 -7.649 16.876 -4.765 397 3HD2 LEU 49 3HD2 LEU 49 -7.812 15.196 -4.252 398 H THR 50 H THR 50 -6.305 17.843 -5.976 399 HA THR 50 HA THR 50 -7.065 20.635 -5.475 400 HB THR 50 HB THR 50 -8.056 20.422 -7.841 401 HG1 THR 50 1HG THR 50 -6.233 18.256 -7.924 402 1HG2 THR 50 1HG2 THR 50 -5.143 20.123 -8.129 403 2HG2 THR 50 2HG2 THR 50 -5.702 21.413 -7.063 404 3HG2 THR 50 3HG2 THR 50 -6.230 21.368 -8.746 405 H ASN 51 H ASN 51 -9.091 21.089 -4.897 406 HA ASN 51 HA ASN 51 -11.162 19.020 -5.142 407 1HB ASN 51 2HB ASN 51 -10.213 19.201 -2.786 408 2HB ASN 51 1HB ASN 51 -10.873 20.830 -2.741 409 1HD2 ASN 51 1HD2 ASN 51 -11.529 17.484 -2.489 410 2HD2 ASN 51 2HD2 ASN 51 -13.217 17.609 -2.149 411 H LEU 52 H LEU 52 -11.748 20.257 -7.021 412 HA LEU 52 HA LEU 52 -12.644 22.970 -6.548 413 1HB LEU 52 2HB LEU 52 -12.129 21.306 -8.956 414 2HB LEU 52 1HB LEU 52 -13.184 22.691 -9.094 415 HG LEU 52 HG LEU 52 -11.472 24.128 -9.138 416 1HD1 LEU 52 1HD1 LEU 52 -9.501 23.936 -7.564 417 2HD1 LEU 52 2HD1 LEU 52 -10.344 22.577 -6.826 418 3HD1 LEU 52 3HD1 LEU 52 -11.078 24.180 -6.815 419 1HD2 LEU 52 1HD2 LEU 52 -9.536 23.340 -10.104 420 2HD2 LEU 52 2HD2 LEU 52 -10.688 22.055 -10.459 421 3HD2 LEU 52 3HD2 LEU 52 -9.533 21.862 -9.139 422 H ARG 53 H ARG 53 -14.585 23.568 -6.180 423 HA ARG 53 HA ARG 53 -16.772 21.671 -6.292 424 1HB ARG 53 2HB ARG 53 -16.584 24.463 -5.187 425 2HB ARG 53 1HB ARG 53 -18.056 23.517 -5.186 426 1HG ARG 53 2HG ARG 53 -15.565 22.431 -3.948 427 2HG ARG 53 1HG ARG 53 -16.583 23.573 -3.068 428 1HD ARG 53 2HD ARG 53 -17.759 21.792 -2.415 429 2HD ARG 53 1HD ARG 53 -18.397 21.757 -4.059 430 HE ARG 53 HE ARG 53 -15.958 20.357 -3.973 431 1HH1 ARG 53 1HH1 ARG 53 -19.265 20.076 -2.892 432 2HH1 ARG 53 2HH1 ARG 53 -19.254 18.344 -2.907 433 1HH2 ARG 53 1HH2 ARG 53 -15.942 18.078 -3.994 434 2HH2 ARG 53 2HH2 ARG 53 -17.367 17.210 -3.532 435 H GLY 54 H GLY 54 -15.441 23.236 -8.649 436 1HA GLY 54 2HA GLY 54 -16.243 23.827 -10.748 437 2HA GLY 54 1HA GLY 54 -17.872 23.534 -10.163 438 H ILE 55 H ILE 55 -18.412 25.123 -8.332 439 HA ILE 55 HA ILE 55 -17.924 27.820 -9.353 440 HB ILE 55 HB ILE 55 -19.930 28.404 -7.878 441 1HG1 ILE 55 2HG1 ILE 55 -20.139 25.389 -7.896 442 2HG1 ILE 55 1HG1 ILE 55 -20.069 26.448 -6.496 443 1HG2 ILE 55 1HG2 ILE 55 -21.047 28.449 -9.799 444 2HG2 ILE 55 2HG2 ILE 55 -21.148 26.690 -9.853 445 3HG2 ILE 55 3HG2 ILE 55 -19.735 27.513 -10.513 446 1HD1 ILE 55 1HD1 ILE 55 -22.284 26.043 -6.515 447 2HD1 ILE 55 2HD1 ILE 55 -22.322 25.740 -8.252 448 3HD1 ILE 55 3HD1 ILE 55 -22.275 27.396 -7.648 449 H GLY 56 H GLY 56 -17.234 25.626 -6.895 450 1HA GLY 56 2HA GLY 56 -16.244 27.822 -5.168 451 2HA GLY 56 1HA GLY 56 -16.891 26.324 -4.515 452 H GLN 57 H GLN 57 -14.468 27.246 -6.975 453 HA GLN 57 HA GLN 57 -12.870 25.042 -6.901 454 1HB GLN 57 2HB GLN 57 -12.288 27.935 -7.371 455 2HB GLN 57 1HB GLN 57 -10.952 26.794 -7.299 456 1HG GLN 57 2HG GLN 57 -12.720 25.550 -8.984 457 2HG GLN 57 1HG GLN 57 -12.915 27.250 -9.392 458 1HE2 GLN 57 1HE2 GLN 57 -12.019 26.480 -11.462 459 2HE2 GLN 57 2HE2 GLN 57 -10.302 26.425 -11.640 460 H SER 58 H SER 58 -12.397 24.033 -5.044 461 HA SER 58 HA SER 58 -10.930 25.541 -2.981 462 1HB SER 58 2HB SER 58 -12.352 22.924 -2.494 463 2HB SER 58 1HB SER 58 -11.807 24.111 -1.309 464 HG SER 58 HG SER 58 -13.855 24.543 -3.228 465 H ASN 59 H ASN 59 -9.534 23.842 -1.620 466 HA ASN 59 HA ASN 59 -8.097 22.171 -3.580 467 1HB ASN 59 2HB ASN 59 -6.861 23.770 -1.334 468 2HB ASN 59 1HB ASN 59 -5.997 22.736 -2.471 469 1HD2 ASN 59 1HD2 ASN 59 -6.287 23.304 -4.791 470 2HD2 ASN 59 2HD2 ASN 59 -6.320 24.982 -5.202 471 H ASN 60 H ASN 60 -7.042 20.337 -2.824 472 HA ASN 60 HA ASN 60 -7.891 19.329 -0.196 473 1HB ASN 60 2HB ASN 60 -8.518 18.287 -2.822 474 2HB ASN 60 1HB ASN 60 -7.605 17.103 -1.893 475 1HD2 ASN 60 1HD2 ASN 60 -9.015 15.688 -1.162 476 2HD2 ASN 60 2HD2 ASN 60 -10.483 16.060 -0.334 477 HA PRO 61 HA PRO 61 -3.652 17.864 -0.028 478 1HB PRO 61 2HB PRO 61 -3.843 15.874 1.714 479 2HB PRO 61 1HB PRO 61 -4.424 17.488 2.149 480 1HG PRO 61 2HG PRO 61 -5.969 15.047 1.477 481 2HG PRO 61 1HG PRO 61 -6.421 16.417 2.502 482 1HD PRO 61 2HD PRO 61 -7.081 15.967 -0.278 483 2HD PRO 61 1HD PRO 61 -7.576 17.317 0.767 484 H LYS 62 H LYS 62 -2.468 16.865 -1.651 485 HA LYS 62 HA LYS 62 -3.416 14.477 -2.956 486 1HB LYS 62 2HB LYS 62 -0.948 16.143 -3.236 487 2HB LYS 62 1HB LYS 62 -0.998 14.536 -3.928 488 1HG LYS 62 2HG LYS 62 -3.325 15.563 -4.848 489 2HG LYS 62 1HG LYS 62 -2.283 16.978 -4.821 490 1HD LYS 62 2HD LYS 62 -2.026 16.010 -6.963 491 2HD LYS 62 1HD LYS 62 -0.569 15.609 -6.054 492 1HE LYS 62 2HE LYS 62 -1.420 13.392 -5.599 493 2HE LYS 62 1HE LYS 62 -2.948 13.787 -6.382 494 1HZ LYS 62 1HZ LYS 62 -0.415 13.044 -7.554 495 2HZ LYS 62 2HZ LYS 62 -1.183 14.341 -8.320 496 3HZ LYS 62 3HZ LYS 62 -1.985 12.862 -8.160 497 H GLN 63 H GLN 63 -3.057 12.485 -2.400 498 HA GLN 63 HA GLN 63 -1.147 11.892 -0.282 499 1HB GLN 63 2HB GLN 63 -2.692 9.685 -1.504 500 2HB GLN 63 1HB GLN 63 -2.375 10.033 0.185 501 1HG GLN 63 2HG GLN 63 -4.424 11.375 -1.562 502 2HG GLN 63 1HG GLN 63 -4.736 10.198 -0.289 503 1HE2 GLN 63 1HE2 GLN 63 -6.149 11.897 0.529 504 2HE2 GLN 63 2HE2 GLN 63 -5.475 13.137 1.525 505 H SER 64 H SER 64 0.725 10.854 -0.603 506 HA SER 64 HA SER 64 2.182 10.830 -2.851 507 1HB SER 64 2HB SER 64 2.888 9.969 -0.553 508 2HB SER 64 1HB SER 64 2.292 8.401 -1.094 509 HG SER 64 HG SER 64 3.853 8.276 -2.565 510 H SER 65 H SER 65 2.781 9.309 -4.475 511 HA SER 65 HA SER 65 0.533 7.574 -5.250 512 1HB SER 65 2HB SER 65 2.254 9.440 -6.759 513 2HB SER 65 1HB SER 65 1.940 7.901 -7.560 514 HG SER 65 HG SER 65 0.298 10.011 -7.222 515 H LYS 66 H LYS 66 3.884 7.593 -4.420 516 HA LYS 66 HA LYS 66 5.176 5.674 -5.719 517 1HB LYS 66 2HB LYS 66 6.104 4.839 -3.563 518 2HB LYS 66 1HB LYS 66 6.107 6.592 -3.694 519 1HG LYS 66 2HG LYS 66 5.297 6.429 -1.594 520 2HG LYS 66 1HG LYS 66 3.767 6.294 -2.460 521 1HD LYS 66 2HD LYS 66 4.082 4.604 -0.647 522 2HD LYS 66 1HD LYS 66 3.775 3.906 -2.234 523 1HE LYS 66 2HE LYS 66 6.609 4.314 -1.653 524 2HE LYS 66 1HE LYS 66 5.810 3.199 -0.547 525 1HZ LYS 66 1HZ LYS 66 6.355 2.918 -3.394 526 2HZ LYS 66 2HZ LYS 66 4.885 2.289 -2.844 527 3HZ LYS 66 3HZ LYS 66 6.340 1.747 -2.173 528 H TYR 67 H TYR 67 4.932 3.569 -6.307 529 HA TYR 67 HA TYR 67 2.527 2.258 -5.318 530 1HB TYR 67 2HB TYR 67 2.785 0.715 -7.211 531 2HB TYR 67 1HB TYR 67 2.688 2.390 -7.718 532 HD1 TYR 67 1HD TYR 67 4.163 3.129 -9.300 533 HD2 TYR 67 2HD TYR 67 5.230 -0.196 -6.881 534 HE1 TYR 67 1HE TYR 67 6.195 2.827 -10.631 535 HE2 TYR 67 2HE TYR 67 7.271 -0.511 -8.199 536 HH TYR 67 HH TYR 67 8.623 1.686 -10.057 537 H LEU 68 H LEU 68 2.426 0.250 -4.509 538 HA LEU 68 HA LEU 68 4.931 -0.741 -3.367 539 1HB LEU 68 2HB LEU 68 2.416 -0.291 -2.249 540 2HB LEU 68 1HB LEU 68 2.511 -2.035 -2.414 541 HG LEU 68 HG LEU 68 4.475 -2.138 -1.045 542 1HD1 LEU 68 1HD1 LEU 68 5.929 -0.472 -0.998 543 2HD1 LEU 68 2HD1 LEU 68 4.772 0.513 -0.103 544 3HD1 LEU 68 3HD1 LEU 68 4.799 0.565 -1.865 545 1HD2 LEU 68 1HD2 LEU 68 3.164 -0.268 0.719 546 2HD2 LEU 68 2HD2 LEU 68 3.255 -2.026 0.812 547 3HD2 LEU 68 3HD2 LEU 68 1.985 -1.259 -0.141 548 H THR 69 H THR 69 5.538 -2.860 -3.538 549 HA THR 69 HA THR 69 4.209 -4.382 -5.675 550 HB THR 69 HB THR 69 6.494 -5.608 -5.680 551 HG1 THR 69 1HG THR 69 7.280 -3.173 -4.463 552 1HG2 THR 69 1HG2 THR 69 6.395 -2.749 -6.604 553 2HG2 THR 69 2HG2 THR 69 5.828 -4.154 -7.506 554 3HG2 THR 69 3HG2 THR 69 7.542 -3.977 -7.138 555 H TRP 70 H TRP 70 2.785 -5.626 -4.593 556 HA TRP 70 HA TRP 70 3.767 -7.216 -2.338 557 1HB TRP 70 2HB TRP 70 1.639 -5.672 -2.211 558 2HB TRP 70 1HB TRP 70 0.861 -7.014 -3.044 559 HD1 TRP 70 HD TRP 70 3.520 -7.918 -0.503 560 HE1 TRP 70 1HE TRP 70 2.397 -8.968 1.562 561 HE3 TRP 70 3HE TRP 70 -1.359 -6.908 -1.626 562 HZ2 TRP 70 2HZ TRP 70 -0.209 -9.314 2.581 563 HZ3 TRP 70 3HZ TRP 70 -3.108 -7.628 -0.056 564 HH2 TRP 70 HH TRP 70 -2.544 -8.808 2.005 565 H ARG 71 H ARG 71 3.693 -9.414 -2.434 566 HA ARG 71 HA ARG 71 2.215 -10.872 -4.313 567 1HB ARG 71 2HB ARG 71 4.031 -11.654 -5.759 568 2HB ARG 71 1HB ARG 71 3.752 -9.931 -5.927 569 1HG ARG 71 2HG ARG 71 5.848 -10.931 -4.057 570 2HG ARG 71 1HG ARG 71 6.171 -10.831 -5.787 571 1HD ARG 71 2HD ARG 71 5.328 -8.570 -3.977 572 2HD ARG 71 1HD ARG 71 6.919 -8.805 -4.690 573 HE ARG 71 HE ARG 71 4.557 -7.774 -5.997 574 1HH1 ARG 71 1HH1 ARG 71 7.741 -9.151 -6.415 575 2HH1 ARG 71 2HH1 ARG 71 7.944 -8.509 -8.010 576 1HH2 ARG 71 1HH2 ARG 71 4.825 -6.933 -8.095 577 2HH2 ARG 71 2HH2 ARG 71 6.290 -7.252 -8.964 578 H ASP 72 H ASP 72 2.563 -13.133 -4.246 579 HA ASP 72 HA ASP 72 3.385 -13.975 -1.629 580 1HB ASP 72 2HB ASP 72 2.629 -16.216 -2.382 581 2HB ASP 72 1HB ASP 72 1.407 -14.975 -2.640 582 H LYS 73 H LYS 73 4.866 -15.696 -1.243 583 HA LYS 73 HA LYS 73 7.414 -15.380 -1.813 584 1HB LYS 73 2HB LYS 73 7.794 -17.807 -1.477 585 2HB LYS 73 1HB LYS 73 6.693 -17.104 -0.301 586 1HG LYS 73 2HG LYS 73 5.489 -18.313 -2.719 587 2HG LYS 73 1HG LYS 73 6.202 -19.405 -1.531 588 1HD LYS 73 2HD LYS 73 4.832 -18.215 0.218 589 2HD LYS 73 1HD LYS 73 3.997 -17.396 -1.104 590 1HE LYS 73 2HE LYS 73 4.168 -20.310 -1.391 591 2HE LYS 73 1HE LYS 73 3.231 -19.767 -0.001 592 1HZ LYS 73 1HZ LYS 73 2.780 -18.657 -2.705 593 2HZ LYS 73 2HZ LYS 73 1.751 -18.610 -1.362 594 3HZ LYS 73 3HZ LYS 73 2.004 -20.068 -2.181 595 H GLU 74 H GLU 74 5.198 -16.895 -4.093 596 HA GLU 74 HA GLU 74 7.300 -17.696 -5.870 597 1HB GLU 74 2HB GLU 74 4.306 -17.616 -6.055 598 2HB GLU 74 1HB GLU 74 5.275 -17.915 -7.493 599 1HG GLU 74 2HG GLU 74 6.331 -19.646 -5.619 600 2HG GLU 74 1HG GLU 74 4.596 -19.686 -5.304 601 H ASN 75 H ASN 75 6.712 -14.749 -5.001 602 HA ASN 75 HA ASN 75 6.925 -12.678 -5.886 603 1HB ASN 75 2HB ASN 75 8.933 -14.007 -6.905 604 2HB ASN 75 1HB ASN 75 8.027 -13.868 -8.408 605 1HD2 ASN 75 1HD2 ASN 75 8.514 -12.181 -9.600 606 2HD2 ASN 75 2HD2 ASN 75 9.154 -10.681 -9.035 607 H ASN 76 H ASN 76 4.384 -13.578 -6.126 608 HA ASN 76 HA ASN 76 3.554 -12.224 -8.570 609 1HB ASN 76 2HB ASN 76 2.724 -15.077 -8.031 610 2HB ASN 76 1HB ASN 76 2.071 -14.052 -9.305 611 1HD2 ASN 76 1HD2 ASN 76 4.086 -16.502 -8.794 612 2HD2 ASN 76 2HD2 ASN 76 5.231 -16.249 -10.061 613 H SER 77 H SER 77 1.696 -11.116 -8.367 614 HA SER 77 HA SER 77 -0.588 -11.763 -7.017 615 1HB SER 77 2HB SER 77 0.654 -11.780 -4.922 616 2HB SER 77 1HB SER 77 1.200 -10.133 -5.227 617 HG SER 77 HG SER 77 -1.544 -10.598 -5.260 618 H GLY 78 H GLY 78 1.227 -8.701 -6.588 619 1HA GLY 78 2HA GLY 78 -0.134 -7.405 -8.742 620 2HA GLY 78 1HA GLY 78 -0.873 -7.034 -7.194 621 H LEU 79 H LEU 79 0.256 -5.135 -8.875 622 HA LEU 79 HA LEU 79 2.132 -3.886 -7.070 623 1HB LEU 79 2HB LEU 79 3.755 -5.040 -8.316 624 2HB LEU 79 1HB LEU 79 2.882 -4.831 -9.819 625 HG LEU 79 HG LEU 79 3.548 -2.542 -9.984 626 1HD1 LEU 79 1HD1 LEU 79 4.090 -2.865 -7.123 627 2HD1 LEU 79 2HD1 LEU 79 3.636 -1.429 -8.039 628 3HD1 LEU 79 3HD1 LEU 79 5.318 -1.956 -8.004 629 1HD2 LEU 79 1HD2 LEU 79 5.323 -3.559 -10.909 630 2HD2 LEU 79 2HD2 LEU 79 5.527 -4.661 -9.547 631 3HD2 LEU 79 3HD2 LEU 79 6.172 -3.021 -9.460 632 H ILE 80 H ILE 80 1.234 -1.879 -6.859 633 HA ILE 80 HA ILE 80 0.643 -0.331 -9.243 634 HB ILE 80 HB ILE 80 -1.672 0.073 -8.893 635 1HG1 ILE 80 2HG1 ILE 80 -1.884 0.144 -6.525 636 2HG1 ILE 80 1HG1 ILE 80 -2.933 -1.158 -7.072 637 1HG2 ILE 80 1HG2 ILE 80 -1.108 -1.978 -10.124 638 2HG2 ILE 80 2HG2 ILE 80 -2.666 -2.080 -9.306 639 3HG2 ILE 80 3HG2 ILE 80 -1.260 -2.897 -8.624 640 1HD1 ILE 80 1HD1 ILE 80 -0.417 -1.274 -5.506 641 2HD1 ILE 80 2HD1 ILE 80 -0.808 -2.622 -6.571 642 3HD1 ILE 80 3HD1 ILE 80 -1.928 -2.156 -5.292 643 H LYS 81 H LYS 81 0.101 1.868 -8.855 644 HA LYS 81 HA LYS 81 1.298 2.916 -6.430 645 1HB LYS 81 2HB LYS 81 0.827 5.142 -7.656 646 2HB LYS 81 1HB LYS 81 2.080 4.082 -8.278 647 1HG LYS 81 2HG LYS 81 0.664 3.318 -10.034 648 2HG LYS 81 1HG LYS 81 -0.737 4.131 -9.332 649 1HD LYS 81 2HD LYS 81 1.715 5.649 -10.170 650 2HD LYS 81 1HD LYS 81 0.432 5.258 -11.316 651 1HE LYS 81 2HE LYS 81 -1.189 6.393 -9.845 652 2HE LYS 81 1HE LYS 81 0.131 6.833 -8.761 653 1HZ LYS 81 1HZ LYS 81 0.547 7.578 -11.521 654 2HZ LYS 81 2HZ LYS 81 0.791 8.476 -10.108 655 3HZ LYS 81 3HZ LYS 81 -0.757 8.363 -10.780 656 HA PRO 82 HA PRO 82 -2.906 3.641 -4.913 657 1HB PRO 82 2HB PRO 82 -2.109 3.296 -2.257 658 2HB PRO 82 1HB PRO 82 -2.767 2.042 -3.305 659 1HG PRO 82 2HG PRO 82 -0.146 2.180 -2.259 660 2HG PRO 82 1HG PRO 82 -0.751 1.043 -3.473 661 1HD PRO 82 2HD PRO 82 0.804 3.551 -3.830 662 2HD PRO 82 1HD PRO 82 0.798 2.071 -4.809 663 H PHE 83 H PHE 83 -3.305 4.813 -2.503 664 HA PHE 83 HA PHE 83 -2.034 7.438 -2.802 665 1HB PHE 83 2HB PHE 83 -4.832 6.614 -2.312 666 2HB PHE 83 1HB PHE 83 -4.266 7.969 -1.343 667 HD1 PHE 83 1HD PHE 83 -2.416 9.223 -3.339 668 HD2 PHE 83 2HD PHE 83 -6.351 7.659 -3.741 669 HE1 PHE 83 1HE PHE 83 -2.825 10.747 -5.228 670 HE2 PHE 83 2HE PHE 83 -6.767 9.178 -5.630 671 HZ PHE 83 HZ PHE 83 -5.003 10.724 -6.377 672 H VAL 84 H VAL 84 -0.706 7.946 -1.235 673 HA VAL 84 HA VAL 84 -0.869 6.572 1.321 674 HB VAL 84 HB VAL 84 1.419 8.184 0.251 675 1HG1 VAL 84 1HG1 VAL 84 2.562 7.546 2.024 676 2HG1 VAL 84 2HG1 VAL 84 1.927 5.902 1.966 677 3HG1 VAL 84 3HG1 VAL 84 0.984 7.186 2.723 678 1HG2 VAL 84 1HG2 VAL 84 1.512 6.628 -1.386 679 2HG2 VAL 84 2HG2 VAL 84 0.530 5.474 -0.485 680 3HG2 VAL 84 3HG2 VAL 84 2.248 5.648 -0.117 681 H ILE 85 H ILE 85 -1.862 7.672 2.862 682 HA ILE 85 HA ILE 85 -1.405 10.580 3.013 683 HB ILE 85 HB ILE 85 -3.735 9.564 4.483 684 1HG1 ILE 85 2HG1 ILE 85 -3.627 9.416 1.466 685 2HG1 ILE 85 1HG1 ILE 85 -4.036 8.124 2.587 686 1HG2 ILE 85 1HG2 ILE 85 -2.950 11.922 2.851 687 2HG2 ILE 85 2HG2 ILE 85 -3.648 11.847 4.468 688 3HG2 ILE 85 3HG2 ILE 85 -4.670 11.590 3.056 689 1HD1 ILE 85 1HD1 ILE 85 -5.879 10.132 3.114 690 2HD1 ILE 85 2HD1 ILE 85 -6.156 8.630 2.232 691 3HD1 ILE 85 3HD1 ILE 85 -5.722 10.097 1.359 692 HA PRO 86 HA PRO 86 0.436 9.628 6.912 693 1HB PRO 86 2HB PRO 86 0.613 12.094 7.968 694 2HB PRO 86 1HB PRO 86 1.596 11.596 6.586 695 1HG PRO 86 2HG PRO 86 -0.898 13.243 6.643 696 2HG PRO 86 1HG PRO 86 0.570 13.465 5.674 697 1HD PRO 86 2HD PRO 86 -1.738 12.312 4.733 698 2HD PRO 86 1HD PRO 86 -0.126 11.991 4.070 699 H ASN 87 H ASN 87 -2.168 8.850 7.043 700 HA ASN 87 HA ASN 87 -2.832 9.592 9.756 701 1HB ASN 87 2HB ASN 87 -4.082 11.026 7.830 702 2HB ASN 87 1HB ASN 87 -5.200 9.674 7.992 703 1HD2 ASN 87 1HD2 ASN 87 -6.812 10.167 9.274 704 2HD2 ASN 87 2HD2 ASN 87 -6.717 11.094 10.729 705 H LEU 88 H LEU 88 -2.218 7.186 7.807 706 HA LEU 88 HA LEU 88 -2.681 4.963 7.786 707 1HB LEU 88 2HB LEU 88 -2.587 5.460 10.306 708 2HB LEU 88 1HB LEU 88 -4.336 5.375 10.257 709 HG LEU 88 HG LEU 88 -4.053 3.047 9.256 710 1HD1 LEU 88 1HD1 LEU 88 -1.239 3.531 10.216 711 2HD1 LEU 88 2HD1 LEU 88 -1.760 3.154 8.573 712 3HD1 LEU 88 3HD1 LEU 88 -1.907 1.941 9.846 713 1HD2 LEU 88 1HD2 LEU 88 -3.115 2.313 11.709 714 2HD2 LEU 88 2HD2 LEU 88 -4.787 2.746 11.352 715 3HD2 LEU 88 3HD2 LEU 88 -3.687 3.953 12.016 716 HA PRO 89 HA PRO 89 -6.857 5.696 5.970 717 1HB PRO 89 2HB PRO 89 -5.742 4.532 3.547 718 2HB PRO 89 1HB PRO 89 -6.394 6.152 3.800 719 1HG PRO 89 2HG PRO 89 -3.757 5.688 3.363 720 2HG PRO 89 1HG PRO 89 -4.345 7.035 4.351 721 1HD PRO 89 2HD PRO 89 -3.284 4.368 5.223 722 2HD PRO 89 1HD PRO 89 -2.927 5.986 5.869 723 H VAL 90 H VAL 90 -5.519 3.229 7.326 724 HA VAL 90 HA VAL 90 -6.278 1.156 7.869 725 HB VAL 90 HB VAL 90 -8.300 1.491 5.671 726 1HG1 VAL 90 1HG1 VAL 90 -9.415 -0.117 7.575 727 2HG1 VAL 90 2HG1 VAL 90 -7.726 -0.619 7.612 728 3HG1 VAL 90 3HG1 VAL 90 -8.632 -0.685 6.101 729 1HG2 VAL 90 1HG2 VAL 90 -8.086 2.884 8.127 730 2HG2 VAL 90 2HG2 VAL 90 -9.442 1.764 8.261 731 3HG2 VAL 90 3HG2 VAL 90 -9.396 2.940 6.947 732 H ASN 91 H ASN 91 -4.865 2.026 5.015 733 HA ASN 91 HA ASN 91 -3.780 0.915 3.346 734 1HB ASN 91 2HB ASN 91 -2.721 -0.012 5.482 735 2HB ASN 91 1HB ASN 91 -3.711 -1.443 5.222 736 1HD2 ASN 91 1HD2 ASN 91 -3.459 -2.535 3.140 737 2HD2 ASN 91 2HD2 ASN 91 -1.897 -2.559 2.403 738 H LEU 92 H LEU 92 -5.627 0.824 1.960 739 HA LEU 92 HA LEU 92 -6.996 -1.782 1.890 740 1HB LEU 92 2HB LEU 92 -7.834 0.960 1.332 741 2HB LEU 92 1HB LEU 92 -8.208 -0.126 0.012 742 HG LEU 92 HG LEU 92 -10.057 0.170 1.656 743 1HD1 LEU 92 1HD1 LEU 92 -10.093 -2.510 2.039 744 2HD1 LEU 92 2HD1 LEU 92 -8.908 -2.370 0.739 745 3HD1 LEU 92 3HD1 LEU 92 -10.531 -1.710 0.529 746 1HD2 LEU 92 1HD2 LEU 92 -9.866 -0.306 3.840 747 2HD2 LEU 92 2HD2 LEU 92 -8.140 -0.077 3.558 748 3HD2 LEU 92 3HD2 LEU 92 -8.828 -1.702 3.550 749 H TRP 93 H TRP 93 -6.746 -3.116 0.183 750 HA TRP 93 HA TRP 93 -4.797 -2.320 -1.818 751 1HB TRP 93 2HB TRP 93 -5.165 -4.682 -0.498 752 2HB TRP 93 1HB TRP 93 -5.964 -5.005 -2.025 753 HD1 TRP 93 HD TRP 93 -4.163 -6.692 -2.904 754 HE1 TRP 93 1HE TRP 93 -1.748 -6.424 -3.738 755 HE3 TRP 93 3HE TRP 93 -3.238 -1.919 -1.268 756 HZ2 TRP 93 2HZ TRP 93 0.275 -4.462 -3.713 757 HZ3 TRP 93 3HZ TRP 93 -1.037 -0.932 -1.731 758 HH2 TRP 93 HH TRP 93 0.682 -2.180 -2.925 759 H GLY 94 H GLY 94 -5.307 -3.206 -4.109 760 1HA GLY 94 2HA GLY 94 -7.979 -2.164 -4.742 761 2HA GLY 94 1HA GLY 94 -6.608 -2.168 -5.822 762 H ARG 95 H ARG 95 -9.417 -3.238 -5.986 763 HA ARG 95 HA ARG 95 -9.621 -5.963 -5.861 764 1HB ARG 95 2HB ARG 95 -11.182 -5.729 -7.891 765 2HB ARG 95 1HB ARG 95 -11.585 -4.865 -6.419 766 1HG ARG 95 2HG ARG 95 -10.111 -3.001 -7.738 767 2HG ARG 95 1HG ARG 95 -10.893 -3.849 -9.073 768 1HD ARG 95 2HD ARG 95 -12.344 -2.741 -6.674 769 2HD ARG 95 1HD ARG 95 -12.186 -1.903 -8.211 770 HE ARG 95 HE ARG 95 -13.817 -4.254 -7.655 771 1HH1 ARG 95 1HH1 ARG 95 -12.632 -1.954 -10.008 772 2HH1 ARG 95 2HH1 ARG 95 -13.864 -2.323 -11.165 773 1HH2 ARG 95 1HH2 ARG 95 -15.430 -4.733 -9.181 774 2HH2 ARG 95 2HH2 ARG 95 -15.450 -3.899 -10.698 775 H ASP 96 H ASP 96 -7.833 -4.123 -8.231 776 HA ASP 96 HA ASP 96 -7.611 -6.108 -10.208 777 1HB ASP 96 2HB ASP 96 -6.165 -3.625 -9.506 778 2HB ASP 96 1HB ASP 96 -5.240 -4.799 -10.437 779 H LEU 97 H LEU 97 -5.639 -5.383 -7.372 780 HA LEU 97 HA LEU 97 -3.797 -7.523 -7.865 781 1HB LEU 97 2HB LEU 97 -4.218 -5.737 -5.485 782 2HB LEU 97 1HB LEU 97 -2.941 -6.936 -5.597 783 HG LEU 97 HG LEU 97 -2.321 -5.693 -7.801 784 1HD1 LEU 97 1HD1 LEU 97 -2.801 -3.176 -7.330 785 2HD1 LEU 97 2HD1 LEU 97 -4.182 -3.810 -6.437 786 3HD1 LEU 97 3HD1 LEU 97 -4.001 -4.172 -8.153 787 1HD2 LEU 97 1HD2 LEU 97 -1.173 -5.795 -5.472 788 2HD2 LEU 97 2HD2 LEU 97 -1.742 -4.132 -5.333 789 3HD2 LEU 97 3HD2 LEU 97 -0.668 -4.589 -6.652 790 H LEU 98 H LEU 98 -6.635 -7.066 -5.788 791 HA LEU 98 HA LEU 98 -6.270 -9.459 -4.306 792 1HB LEU 98 2HB LEU 98 -8.743 -7.826 -4.896 793 2HB LEU 98 1HB LEU 98 -8.765 -9.255 -3.883 794 HG LEU 98 HG LEU 98 -8.611 -7.610 -2.294 795 1HD1 LEU 98 1HD1 LEU 98 -6.662 -9.152 -2.104 796 2HD1 LEU 98 2HD1 LEU 98 -6.408 -7.565 -1.373 797 3HD1 LEU 98 3HD1 LEU 98 -5.691 -7.939 -2.939 798 1HD2 LEU 98 1HD2 LEU 98 -8.291 -5.885 -4.206 799 2HD2 LEU 98 2HD2 LEU 98 -6.587 -5.990 -3.763 800 3HD2 LEU 98 3HD2 LEU 98 -7.779 -5.485 -2.567 801 H SER 99 H SER 99 -8.225 -8.672 -7.156 802 HA SER 99 HA SER 99 -9.383 -11.142 -7.624 803 1HB SER 99 2HB SER 99 -8.511 -8.948 -9.498 804 2HB SER 99 1HB SER 99 -9.321 -10.400 -10.081 805 HG SER 99 HG SER 99 -11.016 -9.181 -9.660 806 H GLN 100 H GLN 100 -6.258 -9.900 -8.791 807 HA GLN 100 HA GLN 100 -5.551 -12.260 -10.202 808 1HB GLN 100 2HB GLN 100 -3.987 -9.918 -9.157 809 2HB GLN 100 1HB GLN 100 -3.194 -11.260 -9.970 810 1HG GLN 100 2HG GLN 100 -4.262 -10.807 -12.003 811 2HG GLN 100 1HG GLN 100 -5.463 -9.768 -11.237 812 1HE2 GLN 100 1HE2 GLN 100 -5.076 -7.979 -12.454 813 2HE2 GLN 100 2HE2 GLN 100 -3.604 -7.077 -12.391 814 H MET 101 H MET 101 -4.492 -10.986 -7.045 815 HA MET 101 HA MET 101 -2.761 -12.896 -6.203 816 1HB MET 101 2HB MET 101 -3.726 -10.821 -4.975 817 2HB MET 101 1HB MET 101 -4.907 -11.950 -4.328 818 1HG MET 101 2HG MET 101 -3.028 -13.317 -3.453 819 2HG MET 101 1HG MET 101 -1.921 -12.053 -3.988 820 1HE MET 101 1HE MET 101 -2.895 -9.564 -3.621 821 2HE MET 101 2HE MET 101 -3.105 -8.993 -1.965 822 3HE MET 101 3HE MET 101 -4.502 -9.544 -2.892 823 H LYS 102 H LYS 102 -6.265 -13.068 -5.494 824 HA LYS 102 HA LYS 102 -6.617 -15.720 -6.264 825 1HB LYS 102 2HB LYS 102 -5.023 -15.763 -4.096 826 2HB LYS 102 1HB LYS 102 -6.590 -15.759 -3.300 827 1HG LYS 102 2HG LYS 102 -5.990 -18.016 -3.531 828 2HG LYS 102 1HG LYS 102 -7.204 -17.713 -4.775 829 1HD LYS 102 2HD LYS 102 -5.674 -18.785 -6.067 830 2HD LYS 102 1HD LYS 102 -5.011 -17.155 -6.192 831 1HE LYS 102 2HE LYS 102 -3.251 -17.613 -4.799 832 2HE LYS 102 1HE LYS 102 -4.129 -18.870 -3.928 833 1HZ LYS 102 1HZ LYS 102 -2.522 -19.062 -6.333 834 2HZ LYS 102 2HZ LYS 102 -3.961 -19.952 -6.361 835 3HZ LYS 102 3HZ LYS 102 -2.825 -20.220 -5.136 836 H ILE 103 H ILE 103 -8.142 -13.437 -6.519 837 HA ILE 103 HA ILE 103 -10.438 -14.033 -4.756 838 HB ILE 103 HB ILE 103 -9.416 -11.420 -5.775 839 1HG1 ILE 103 2HG1 ILE 103 -10.202 -10.749 -3.452 840 2HG1 ILE 103 1HG1 ILE 103 -10.519 -12.457 -3.169 841 1HG2 ILE 103 1HG2 ILE 103 -11.536 -11.150 -6.658 842 2HG2 ILE 103 2HG2 ILE 103 -11.722 -10.498 -5.030 843 3HG2 ILE 103 3HG2 ILE 103 -12.293 -12.126 -5.397 844 1HD1 ILE 103 1HD1 ILE 103 -8.437 -12.500 -2.383 845 2HD1 ILE 103 2HD1 ILE 103 -8.003 -10.987 -3.178 846 3HD1 ILE 103 3HD1 ILE 103 -7.951 -12.503 -4.077 847 H MET 104 H MET 104 -9.466 -13.083 -8.032 848 HA MET 104 HA MET 104 -12.003 -13.155 -9.213 849 1HB MET 104 2HB MET 104 -10.865 -13.322 -11.332 850 2HB MET 104 1HB MET 104 -9.960 -12.234 -10.290 851 1HG MET 104 2HG MET 104 -8.611 -14.402 -9.717 852 2HG MET 104 1HG MET 104 -9.258 -14.954 -11.260 853 1HE MET 104 1HE MET 104 -5.984 -14.518 -12.460 854 2HE MET 104 2HE MET 104 -7.244 -14.175 -13.644 855 3HE MET 104 3HE MET 104 -7.519 -15.382 -12.386 856 H MET 105 H MET 105 -13.232 -14.757 -10.103 857 HA MET 105 HA MET 105 -12.940 -17.375 -9.090 858 1HB MET 105 2HB MET 105 -15.013 -15.970 -10.114 859 2HB MET 105 1HB MET 105 -14.640 -17.011 -11.481 860 1HG MET 105 2HG MET 105 -15.334 -18.883 -10.425 861 2HG MET 105 1HG MET 105 -14.815 -18.316 -8.840 862 1HE MET 105 1HE MET 105 -18.627 -18.155 -11.024 863 2HE MET 105 2HE MET 105 -17.026 -17.890 -11.720 864 3HE MET 105 3HE MET 105 -18.016 -16.514 -11.232 865 H ALA 106 H ALA 106 -10.711 -17.752 -9.820 866 HA ALA 106 HA ALA 106 -10.325 -18.275 -12.646 867 1HB ALA 106 1HB ALA 106 -8.018 -18.907 -11.938 868 2HB ALA 106 2HB ALA 106 -8.485 -18.545 -10.276 869 3HB ALA 106 3HB ALA 106 -8.486 -17.267 -11.491 870 H SER 107 H SER 107 -11.294 -20.070 -13.378 871 HA SER 107 HA SER 107 -10.829 -22.572 -11.891 872 1HB SER 107 2HB SER 107 -13.228 -21.760 -11.883 873 2HB SER 107 1HB SER 107 -13.241 -22.021 -13.628 874 HG SER 107 HG SER 107 -12.564 -24.032 -11.749
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