NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21275 | 2hfd | 7256 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 19.418 2.354 -4.632 2 HA MET 1 HA MET 1 19.542 3.203 -7.333 3 1HB MET 1 1HB MET 1 18.624 5.314 -5.381 4 2HB MET 1 2HB MET 1 19.422 5.714 -6.893 5 1HG MET 1 1HG MET 1 17.640 4.576 -8.126 6 2HG MET 1 2HG MET 1 16.831 4.209 -6.605 7 1HE MET 1 1HE MET 1 17.344 6.891 -4.947 8 2HE MET 1 2HE MET 1 15.779 6.077 -5.001 9 3HE MET 1 3HE MET 1 15.886 7.804 -5.331 10 H SER 2 H SER 2 21.189 5.326 -7.287 11 HA SER 2 HA SER 2 23.613 4.268 -6.346 12 1HB SER 2 1HB SER 2 23.048 7.149 -7.085 13 2HB SER 2 2HB SER 2 24.599 6.312 -7.153 14 HG SER 2 HG SER 2 23.917 6.158 -9.193 15 H ASN 3 H ASN 3 24.296 4.154 -4.351 16 HA ASN 3 HA ASN 3 24.720 4.582 -2.170 17 1HB ASN 3 1HB ASN 3 23.842 7.413 -2.797 18 2HB ASN 3 2HB ASN 3 24.630 6.898 -1.311 19 1HD2 ASN 3 1HD2 ASN 3 25.017 7.665 -4.640 20 2HD2 ASN 3 2HD2 ASN 3 26.747 7.603 -4.680 21 H ASP 4 H ASP 4 22.843 3.115 -1.961 22 HA ASP 4 HA ASP 4 20.306 4.272 -1.294 23 1HB ASP 4 1HB ASP 4 21.398 1.491 -1.238 24 2HB ASP 4 2HB ASP 4 19.908 1.856 -0.377 25 H THR 5 H THR 5 19.676 5.029 0.524 26 HA THR 5 HA THR 5 20.683 4.203 3.068 27 HB THR 5 HB THR 5 21.349 7.024 2.191 28 HG1 THR 5 HG1 THR 5 22.734 4.717 1.912 29 1HG2 THR 5 1HG2 THR 5 22.504 7.162 4.354 30 2HG2 THR 5 2HG2 THR 5 21.946 5.537 4.753 31 3HG2 THR 5 3HG2 THR 5 20.781 6.847 4.562 32 HA PRO 6 HA PRO 6 17.272 7.689 3.557 33 1HB PRO 6 1HB PRO 6 16.088 8.360 1.142 34 2HB PRO 6 2HB PRO 6 17.263 9.353 2.011 35 1HG PRO 6 1HG PRO 6 17.681 7.490 -0.287 36 2HG PRO 6 2HG PRO 6 18.418 9.073 0.025 37 1HD PRO 6 1HD PRO 6 19.763 6.801 0.462 38 2HD PRO 6 2HD PRO 6 19.945 8.199 1.540 39 H PHE 7 H PHE 7 16.501 6.031 0.469 40 HA PHE 7 HA PHE 7 13.983 5.105 1.362 41 1HB PHE 7 1HB PHE 7 14.422 5.318 -1.009 42 2HB PHE 7 2HB PHE 7 15.745 4.165 -0.914 43 HD1 PHE 7 HD1 PHE 7 15.363 1.867 -1.155 44 HD2 PHE 7 HD2 PHE 7 12.073 4.506 -0.580 45 HE1 PHE 7 HE1 PHE 7 13.812 0.036 -1.678 46 HE2 PHE 7 HE2 PHE 7 10.512 2.671 -1.098 47 HZ PHE 7 HZ PHE 7 11.385 0.433 -1.646 48 H ASP 8 H ASP 8 17.191 3.718 1.347 49 HA ASP 8 HA ASP 8 16.649 1.079 2.032 50 1HB ASP 8 1HB ASP 8 18.888 2.062 1.493 51 2HB ASP 8 2HB ASP 8 18.916 2.769 3.092 52 H ALA 9 H ALA 9 17.306 3.819 4.127 53 HA ALA 9 HA ALA 9 16.791 2.484 6.570 54 1HB ALA 9 1HB ALA 9 16.694 4.708 7.576 55 2HB ALA 9 2HB ALA 9 16.601 5.434 5.969 56 3HB ALA 9 3HB ALA 9 18.055 4.569 6.463 57 H LEU 10 H LEU 10 14.739 4.548 4.536 58 HA LEU 10 HA LEU 10 12.466 4.616 6.104 59 1HB LEU 10 1HB LEU 10 12.860 4.645 3.126 60 2HB LEU 10 2HB LEU 10 11.297 4.890 3.870 61 HG LEU 10 HG LEU 10 13.715 6.642 4.269 62 1HD1 LEU 10 1HD1 LEU 10 12.721 6.820 2.030 63 2HD1 LEU 10 2HD1 LEU 10 12.498 8.289 2.979 64 3HD1 LEU 10 3HD1 LEU 10 11.155 7.165 2.768 65 1HD2 LEU 10 1HD2 LEU 10 10.889 6.918 5.278 66 2HD2 LEU 10 2HD2 LEU 10 12.153 8.141 5.428 67 3HD2 LEU 10 3HD2 LEU 10 12.320 6.591 6.255 68 H TRP 11 H TRP 11 13.379 2.234 3.621 69 HA TRP 11 HA TRP 11 11.041 0.677 3.786 70 1HB TRP 11 1HB TRP 11 12.788 0.541 1.979 71 2HB TRP 11 2HB TRP 11 13.821 -0.313 3.117 72 HD1 TRP 11 HD1 TRP 11 10.126 -1.155 3.164 73 HE1 TRP 11 HE1 TRP 11 9.779 -3.519 2.222 74 HE3 TRP 11 HE3 TRP 11 14.836 -2.014 1.364 75 HZ2 TRP 11 HZ2 TRP 11 11.284 -5.483 0.880 76 HZ3 TRP 11 HZ3 TRP 11 15.294 -4.165 0.257 77 HH2 TRP 11 HH2 TRP 11 13.550 -5.864 0.021 78 H GLN 12 H GLN 12 14.208 0.302 5.315 79 HA GLN 12 HA GLN 12 13.654 -1.945 6.858 80 1HB GLN 12 1HB GLN 12 15.604 0.314 7.141 81 2HB GLN 12 2HB GLN 12 15.521 -0.956 8.343 82 1HG GLN 12 1HG GLN 12 15.999 -1.417 5.413 83 2HG GLN 12 2HG GLN 12 17.267 -1.306 6.629 84 1HE2 GLN 12 1HE2 GLN 12 15.726 -2.707 8.660 85 2HE2 GLN 12 2HE2 GLN 12 15.713 -4.377 8.200 86 H ARG 13 H ARG 13 12.946 1.442 7.480 87 HA ARG 13 HA ARG 13 12.325 1.245 10.207 88 1HB ARG 13 1HB ARG 13 11.258 3.098 8.076 89 2HB ARG 13 2HB ARG 13 10.857 3.262 9.777 90 1HG ARG 13 1HG ARG 13 13.653 3.386 8.669 91 2HG ARG 13 2HG ARG 13 12.640 4.792 8.994 92 1HD ARG 13 1HD ARG 13 14.039 4.573 10.873 93 2HD ARG 13 2HD ARG 13 12.473 3.944 11.377 94 HE ARG 13 HE ARG 13 14.474 2.033 10.426 95 1HH1 ARG 13 1HH1 ARG 13 12.768 3.490 13.128 96 2HH1 ARG 13 2HH1 ARG 13 13.213 2.223 14.243 97 1HH2 ARG 13 1HH2 ARG 13 15.037 0.375 11.898 98 2HH2 ARG 13 2HH2 ARG 13 14.485 0.463 13.543 99 H MET 14 H MET 14 10.096 1.206 7.428 100 HA MET 14 HA MET 14 7.891 0.461 9.061 101 1HB MET 14 1HB MET 14 6.681 0.119 6.938 102 2HB MET 14 2HB MET 14 7.438 1.694 7.065 103 1HG MET 14 1HG MET 14 9.237 0.943 5.594 104 2HG MET 14 2HG MET 14 8.464 -0.640 5.469 105 1HE MET 14 1HE MET 14 8.488 -0.426 2.810 106 2HE MET 14 2HE MET 14 9.206 1.183 2.887 107 3HE MET 14 3HE MET 14 7.752 0.912 1.926 108 H LEU 15 H LEU 15 10.302 -1.294 7.275 109 HA LEU 15 HA LEU 15 9.131 -3.824 7.119 110 1HB LEU 15 1HB LEU 15 11.436 -2.799 6.315 111 2HB LEU 15 2HB LEU 15 12.020 -3.473 7.819 112 HG LEU 15 HG LEU 15 12.467 -4.922 5.920 113 1HD1 LEU 15 1HD1 LEU 15 11.497 -7.011 6.801 114 2HD1 LEU 15 2HD1 LEU 15 10.459 -6.049 7.854 115 3HD1 LEU 15 3HD1 LEU 15 12.210 -5.996 8.054 116 1HD2 LEU 15 1HD2 LEU 15 10.600 -4.323 4.505 117 2HD2 LEU 15 2HD2 LEU 15 9.479 -5.080 5.636 118 3HD2 LEU 15 3HD2 LEU 15 10.646 -6.068 4.759 119 H ALA 16 H ALA 16 10.989 -2.298 9.716 120 HA ALA 16 HA ALA 16 10.983 -4.554 11.436 121 1HB ALA 16 1HB ALA 16 12.680 -2.804 11.577 122 2HB ALA 16 2HB ALA 16 11.850 -3.011 13.121 123 3HB ALA 16 3HB ALA 16 11.449 -1.645 12.080 124 H ARG 17 H ARG 17 8.526 -2.370 10.634 125 HA ARG 17 HA ARG 17 7.156 -2.521 13.171 126 1HB ARG 17 1HB ARG 17 6.249 -1.473 10.483 127 2HB ARG 17 2HB ARG 17 5.389 -1.266 12.008 128 1HG ARG 17 1HG ARG 17 7.207 0.035 12.908 129 2HG ARG 17 2HG ARG 17 8.168 -0.254 11.457 130 1HD ARG 17 1HD ARG 17 6.614 0.994 10.118 131 2HD ARG 17 2HD ARG 17 5.522 1.158 11.486 132 HE ARG 17 HE ARG 17 8.208 2.380 11.407 133 1HH1 ARG 17 1HH1 ARG 17 4.784 2.542 12.161 134 2HH1 ARG 17 2HH1 ARG 17 4.914 4.094 12.932 135 1HH2 ARG 17 1HH2 ARG 17 8.352 4.430 12.366 136 2HH2 ARG 17 2HH2 ARG 17 6.932 5.167 13.056 137 H GLY 18 H GLY 18 7.575 -4.603 10.583 138 1HA GLY 18 1HA GLY 18 6.775 -6.851 10.921 139 2HA GLY 18 2HA GLY 18 5.297 -6.182 11.592 140 H TRP 19 H TRP 19 6.534 -4.702 8.744 141 HA TRP 19 HA TRP 19 4.373 -5.919 7.198 142 1HB TRP 19 1HB TRP 19 6.120 -3.514 6.622 143 2HB TRP 19 2HB TRP 19 4.888 -4.132 5.527 144 HD1 TRP 19 HD1 TRP 19 3.169 -4.611 8.574 145 HE1 TRP 19 HE1 TRP 19 1.742 -2.582 9.263 146 HE3 TRP 19 HE3 TRP 19 5.283 -1.065 5.549 147 HZ2 TRP 19 HZ2 TRP 19 1.537 0.160 8.607 148 HZ3 TRP 19 HZ3 TRP 19 4.410 1.234 5.641 149 HH2 TRP 19 HH2 TRP 19 2.576 1.831 7.139 150 H THR 20 H THR 20 4.841 -7.620 6.008 151 HA THR 20 HA THR 20 7.511 -8.506 5.644 152 HB THR 20 HB THR 20 5.998 -10.077 3.976 153 HG1 THR 20 HG1 THR 20 3.976 -9.554 4.410 154 1HG2 THR 20 1HG2 THR 20 6.341 -10.336 6.968 155 2HG2 THR 20 2HG2 THR 20 7.483 -10.886 5.738 156 3HG2 THR 20 3HG2 THR 20 5.896 -11.643 5.870 157 HA PRO 21 HA PRO 21 8.359 -6.663 1.692 158 1HB PRO 21 1HB PRO 21 10.509 -8.540 1.284 159 2HB PRO 21 2HB PRO 21 10.614 -6.842 1.744 160 1HG PRO 21 1HG PRO 21 11.273 -8.951 3.387 161 2HG PRO 21 2HG PRO 21 10.823 -7.335 3.956 162 1HD PRO 21 1HD PRO 21 9.193 -9.831 3.841 163 2HD PRO 21 2HD PRO 21 9.183 -8.526 5.045 164 H VAL 22 H VAL 22 7.835 -7.065 -0.405 165 HA VAL 22 HA VAL 22 7.260 -9.864 -1.112 166 HB VAL 22 HB VAL 22 5.178 -8.579 -0.749 167 1HG1 VAL 22 1HG1 VAL 22 6.110 -6.901 -3.070 168 2HG1 VAL 22 2HG1 VAL 22 5.953 -6.366 -1.398 169 3HG1 VAL 22 3HG1 VAL 22 4.517 -6.823 -2.317 170 1HG2 VAL 22 1HG2 VAL 22 5.134 -10.449 -2.274 171 2HG2 VAL 22 2HG2 VAL 22 5.671 -9.417 -3.599 172 3HG2 VAL 22 3HG2 VAL 22 4.085 -9.165 -2.876 173 H SER 23 H SER 23 7.841 -10.547 -3.123 174 HA SER 23 HA SER 23 9.515 -8.713 -4.685 175 1HB SER 23 1HB SER 23 10.500 -10.888 -3.858 176 2HB SER 23 2HB SER 23 9.352 -11.734 -4.895 177 HG SER 23 HG SER 23 11.663 -10.352 -5.547 178 H GLU 24 H GLU 24 9.384 -9.100 -7.119 179 HA GLU 24 HA GLU 24 6.829 -8.402 -7.976 180 1HB GLU 24 1HB GLU 24 8.942 -7.840 -9.125 181 2HB GLU 24 2HB GLU 24 9.094 -9.511 -9.638 182 1HG GLU 24 1HG GLU 24 6.632 -8.007 -10.356 183 2HG GLU 24 2HG GLU 24 8.124 -7.673 -11.227 184 H SER 25 H SER 25 8.521 -11.504 -8.575 185 HA SER 25 HA SER 25 6.219 -12.721 -9.732 186 1HB SER 25 1HB SER 25 8.502 -13.476 -10.249 187 2HB SER 25 2HB SER 25 8.707 -14.008 -8.583 188 HG SER 25 HG SER 25 6.500 -15.135 -9.401 189 H ARG 26 H ARG 26 7.034 -12.007 -6.559 190 HA ARG 26 HA ARG 26 5.548 -14.250 -5.424 191 1HB ARG 26 1HB ARG 26 7.276 -12.129 -4.151 192 2HB ARG 26 2HB ARG 26 6.342 -13.301 -3.227 193 1HG ARG 26 1HG ARG 26 8.468 -13.996 -5.245 194 2HG ARG 26 2HG ARG 26 8.696 -13.957 -3.494 195 1HD ARG 26 1HD ARG 26 7.207 -15.754 -3.159 196 2HD ARG 26 2HD ARG 26 6.577 -15.636 -4.802 197 HE ARG 26 HE ARG 26 9.169 -16.212 -5.224 198 1HH1 ARG 26 1HH1 ARG 26 6.824 -17.630 -3.048 199 2HH1 ARG 26 2HH1 ARG 26 7.422 -19.247 -3.265 200 1HH2 ARG 26 1HH2 ARG 26 9.975 -18.334 -5.479 201 2HH2 ARG 26 2HH2 ARG 26 9.223 -19.645 -4.620 202 H LEU 27 H LEU 27 5.056 -11.121 -6.463 203 HA LEU 27 HA LEU 27 3.092 -10.233 -4.630 204 1HB LEU 27 1HB LEU 27 4.312 -8.877 -6.411 205 2HB LEU 27 2HB LEU 27 3.233 -9.600 -7.584 206 HG LEU 27 HG LEU 27 2.656 -7.257 -6.787 207 1HD1 LEU 27 1HD1 LEU 27 0.577 -9.413 -6.474 208 2HD1 LEU 27 2HD1 LEU 27 1.041 -8.614 -7.977 209 3HD1 LEU 27 3HD1 LEU 27 0.250 -7.695 -6.697 210 1HD2 LEU 27 1HD2 LEU 27 1.465 -7.075 -4.663 211 2HD2 LEU 27 2HD2 LEU 27 3.135 -7.584 -4.424 212 3HD2 LEU 27 3HD2 LEU 27 1.829 -8.766 -4.312 213 H ASP 28 H ASP 28 3.026 -12.138 -7.579 214 HA ASP 28 HA ASP 28 0.202 -12.456 -7.700 215 1HB ASP 28 1HB ASP 28 1.757 -12.808 -9.627 216 2HB ASP 28 2HB ASP 28 2.343 -14.269 -8.842 217 H ASP 29 H ASP 29 2.826 -14.298 -6.260 218 HA ASP 29 HA ASP 29 1.395 -16.528 -5.328 219 1HB ASP 29 1HB ASP 29 3.890 -16.232 -5.293 220 2HB ASP 29 2HB ASP 29 3.699 -15.137 -3.942 221 H TRP 30 H TRP 30 2.350 -13.593 -3.649 222 HA TRP 30 HA TRP 30 1.012 -13.939 -1.257 223 1HB TRP 30 1HB TRP 30 2.469 -11.893 -2.493 224 2HB TRP 30 2HB TRP 30 0.916 -11.166 -2.094 225 HD1 TRP 30 HD1 TRP 30 0.264 -11.026 0.523 226 HE1 TRP 30 HE1 TRP 30 1.734 -11.047 2.638 227 HE3 TRP 30 HE3 TRP 30 4.582 -12.859 -1.509 228 HZ2 TRP 30 HZ2 TRP 30 4.375 -11.744 3.345 229 HZ3 TRP 30 HZ3 TRP 30 6.536 -13.171 -0.047 230 HH2 TRP 30 HH2 TRP 30 6.432 -12.624 2.331 231 H LEU 31 H LEU 31 -0.186 -12.507 -4.260 232 HA LEU 31 HA LEU 31 -2.621 -11.529 -3.345 233 1HB LEU 31 1HB LEU 31 -1.672 -10.996 -5.532 234 2HB LEU 31 2HB LEU 31 -1.944 -12.644 -6.066 235 HG LEU 31 HG LEU 31 -4.379 -12.298 -5.842 236 1HD1 LEU 31 1HD1 LEU 31 -5.244 -10.030 -5.542 237 2HD1 LEU 31 2HD1 LEU 31 -3.609 -9.453 -5.220 238 3HD1 LEU 31 3HD1 LEU 31 -4.377 -10.592 -4.114 239 1HD2 LEU 31 1HD2 LEU 31 -4.636 -10.850 -7.777 240 2HD2 LEU 31 2HD2 LEU 31 -3.260 -11.936 -7.986 241 3HD2 LEU 31 3HD2 LEU 31 -2.995 -10.245 -7.558 242 H THR 32 H THR 32 -1.854 -14.771 -4.606 243 HA THR 32 HA THR 32 -4.612 -15.589 -4.323 244 HB THR 32 HB THR 32 -3.187 -16.434 -6.187 245 HG1 THR 32 HG1 THR 32 -4.815 -17.872 -4.551 246 1HG2 THR 32 1HG2 THR 32 -1.104 -16.754 -4.927 247 2HG2 THR 32 2HG2 THR 32 -1.596 -18.227 -5.759 248 3HG2 THR 32 3HG2 THR 32 -1.856 -18.067 -4.023 249 H GLN 33 H GLN 33 -1.695 -15.794 -2.426 250 HA GLN 33 HA GLN 33 -2.657 -17.942 -0.759 251 1HB GLN 33 1HB GLN 33 -0.264 -16.113 -0.564 252 2HB GLN 33 2HB GLN 33 -0.620 -17.363 0.614 253 1HG GLN 33 1HG GLN 33 -0.130 -17.829 -2.318 254 2HG GLN 33 2HG GLN 33 1.053 -18.062 -1.033 255 1HE2 GLN 33 1HE2 GLN 33 -0.012 -19.982 -2.944 256 2HE2 GLN 33 2HE2 GLN 33 -0.719 -21.259 -2.004 257 H ALA 34 H ALA 34 -2.698 -14.455 -0.691 258 HA ALA 34 HA ALA 34 -3.433 -14.384 2.123 259 1HB ALA 34 1HB ALA 34 -3.153 -12.132 0.133 260 2HB ALA 34 2HB ALA 34 -1.902 -12.681 1.250 261 3HB ALA 34 3HB ALA 34 -3.387 -11.957 1.872 262 HA PRO 35 HA PRO 35 -7.820 -14.169 1.307 263 1HB PRO 35 1HB PRO 35 -8.094 -12.941 3.940 264 2HB PRO 35 2HB PRO 35 -8.643 -14.527 3.394 265 1HG PRO 35 1HG PRO 35 -6.618 -14.199 5.169 266 2HG PRO 35 2HG PRO 35 -6.708 -15.568 4.046 267 1HD PRO 35 1HD PRO 35 -5.067 -13.067 3.868 268 2HD PRO 35 2HD PRO 35 -4.627 -14.739 3.457 269 H ASP 36 H ASP 36 -6.058 -11.508 2.800 270 HA ASP 36 HA ASP 36 -7.120 -9.601 0.944 271 1HB ASP 36 1HB ASP 36 -8.797 -9.902 2.974 272 2HB ASP 36 2HB ASP 36 -7.620 -8.904 3.822 273 H GLY 37 H GLY 37 -6.140 -7.361 1.524 274 1HA GLY 37 1HA GLY 37 -4.188 -6.768 3.253 275 2HA GLY 37 2HA GLY 37 -3.345 -7.844 2.152 276 H VAL 38 H VAL 38 -2.161 -5.632 2.190 277 HA VAL 38 HA VAL 38 -3.013 -4.164 -0.196 278 HB VAL 38 HB VAL 38 -2.284 -2.017 0.880 279 1HG1 VAL 38 1HG1 VAL 38 -4.364 -1.672 2.146 280 2HG1 VAL 38 2HG1 VAL 38 -4.631 -3.415 2.167 281 3HG1 VAL 38 3HG1 VAL 38 -4.652 -2.537 0.636 282 1HG2 VAL 38 1HG2 VAL 38 -0.966 -2.997 2.704 283 2HG2 VAL 38 2HG2 VAL 38 -2.449 -3.624 3.425 284 3HG2 VAL 38 3HG2 VAL 38 -2.193 -1.883 3.309 285 H VAL 39 H VAL 39 -1.326 -3.332 -1.423 286 HA VAL 39 HA VAL 39 1.368 -4.191 -0.590 287 HB VAL 39 HB VAL 39 0.316 -4.055 -3.424 288 1HG1 VAL 39 1HG1 VAL 39 2.404 -5.213 -3.992 289 2HG1 VAL 39 2HG1 VAL 39 2.921 -5.086 -2.312 290 3HG1 VAL 39 3HG1 VAL 39 2.703 -3.628 -3.279 291 1HG2 VAL 39 1HG2 VAL 39 -0.739 -5.884 -2.216 292 2HG2 VAL 39 2HG2 VAL 39 0.834 -6.450 -1.663 293 3HG2 VAL 39 3HG2 VAL 39 0.429 -6.516 -3.376 294 H LEU 40 H LEU 40 2.807 -2.627 -0.412 295 HA LEU 40 HA LEU 40 2.149 0.024 -1.464 296 1HB LEU 40 1HB LEU 40 4.077 -0.907 0.646 297 2HB LEU 40 2HB LEU 40 4.109 0.723 0.012 298 HG LEU 40 HG LEU 40 1.718 0.953 0.778 299 1HD1 LEU 40 1HD1 LEU 40 0.923 -0.561 2.508 300 2HD1 LEU 40 2HD1 LEU 40 2.350 -1.573 2.289 301 3HD1 LEU 40 3HD1 LEU 40 1.171 -1.418 0.987 302 1HD2 LEU 40 1HD2 LEU 40 3.564 1.950 1.990 303 2HD2 LEU 40 2HD2 LEU 40 3.836 0.438 2.854 304 3HD2 LEU 40 3HD2 LEU 40 2.345 1.344 3.112 305 H LEU 41 H LEU 41 2.982 0.536 -3.358 306 HA LEU 41 HA LEU 41 5.616 -0.516 -4.108 307 1HB LEU 41 1HB LEU 41 3.417 0.827 -5.668 308 2HB LEU 41 2HB LEU 41 5.041 0.703 -6.313 309 HG LEU 41 HG LEU 41 4.854 -1.795 -6.086 310 1HD1 LEU 41 1HD1 LEU 41 1.941 -1.189 -5.614 311 2HD1 LEU 41 2HD1 LEU 41 3.058 -1.834 -4.413 312 3HD1 LEU 41 3HD1 LEU 41 2.658 -2.784 -5.845 313 1HD2 LEU 41 1HD2 LEU 41 2.850 -0.406 -7.857 314 2HD2 LEU 41 2HD2 LEU 41 3.445 -2.052 -8.074 315 3HD2 LEU 41 3HD2 LEU 41 4.551 -0.686 -8.224 316 H SER 42 H SER 42 7.331 0.721 -3.657 317 HA SER 42 HA SER 42 6.867 3.612 -3.353 318 1HB SER 42 1HB SER 42 7.134 2.501 -1.158 319 2HB SER 42 2HB SER 42 8.708 1.890 -1.670 320 HG SER 42 HG SER 42 9.557 3.810 -1.383 321 H SER 43 H SER 43 7.713 4.375 -5.183 322 HA SER 43 HA SER 43 10.385 3.543 -5.994 323 1HB SER 43 1HB SER 43 8.489 5.495 -7.322 324 2HB SER 43 2HB SER 43 9.962 4.823 -8.023 325 HG SER 43 HG SER 43 8.752 3.255 -8.706 326 H ASP 44 H ASP 44 8.870 6.771 -5.971 327 HA ASP 44 HA ASP 44 10.743 7.691 -3.978 328 1HB ASP 44 1HB ASP 44 11.563 9.595 -5.333 329 2HB ASP 44 2HB ASP 44 12.090 8.047 -5.972 330 HA PRO 45 HA PRO 45 7.221 10.023 -2.757 331 1HB PRO 45 1HB PRO 45 9.087 12.054 -1.705 332 2HB PRO 45 2HB PRO 45 7.907 11.061 -0.845 333 1HG PRO 45 1HG PRO 45 10.540 10.608 -0.620 334 2HG PRO 45 2HG PRO 45 9.361 9.282 -0.626 335 1HD PRO 45 1HD PRO 45 11.138 10.252 -2.836 336 2HD PRO 45 2HD PRO 45 10.730 8.588 -2.367 337 H LYS 46 H LYS 46 6.008 11.819 -3.364 338 HA LYS 46 HA LYS 46 6.876 13.123 -5.779 339 1HB LYS 46 1HB LYS 46 4.470 12.382 -5.097 340 2HB LYS 46 2HB LYS 46 4.429 13.906 -4.228 341 1HG LYS 46 1HG LYS 46 4.997 15.054 -6.374 342 2HG LYS 46 2HG LYS 46 4.783 13.503 -7.187 343 1HD LYS 46 1HD LYS 46 2.471 13.416 -6.275 344 2HD LYS 46 2HD LYS 46 2.709 15.042 -5.630 345 1HE LYS 46 1HE LYS 46 2.710 14.187 -8.519 346 2HE LYS 46 2HE LYS 46 1.541 15.231 -7.708 347 1HZ LYS 46 1HZ LYS 46 2.957 16.636 -8.928 348 2HZ LYS 46 2HZ LYS 46 4.353 15.843 -8.397 349 3HZ LYS 46 3HZ LYS 46 3.465 16.787 -7.317 350 H ARG 47 H ARG 47 6.456 13.878 -2.428 351 HA ARG 47 HA ARG 47 8.480 15.801 -2.374 352 1HB ARG 47 1HB ARG 47 6.732 17.249 -3.450 353 2HB ARG 47 2HB ARG 47 5.715 16.998 -2.037 354 1HG ARG 47 1HG ARG 47 7.475 18.020 -0.631 355 2HG ARG 47 2HG ARG 47 8.411 18.343 -2.089 356 1HD ARG 47 1HD ARG 47 7.249 20.342 -1.469 357 2HD ARG 47 2HD ARG 47 6.516 19.701 -2.939 358 HE ARG 47 HE ARG 47 4.752 18.780 -1.421 359 1HH1 ARG 47 1HH1 ARG 47 6.646 21.582 -0.479 360 2HH1 ARG 47 2HH1 ARG 47 5.395 22.230 0.548 361 1HH2 ARG 47 1HH2 ARG 47 3.120 19.619 -0.073 362 2HH2 ARG 47 2HH2 ARG 47 3.401 21.103 0.798 363 H THR 48 H THR 48 5.338 15.176 -0.873 364 HA THR 48 HA THR 48 4.686 14.642 1.231 365 HB THR 48 HB THR 48 7.568 13.897 1.776 366 HG1 THR 48 HG1 THR 48 6.713 11.740 1.132 367 1HG2 THR 48 1HG2 THR 48 6.122 13.960 3.750 368 2HG2 THR 48 2HG2 THR 48 6.570 12.302 3.352 369 3HG2 THR 48 3HG2 THR 48 4.965 12.903 2.944 370 HA PRO 49 HA PRO 49 5.387 18.367 3.674 371 1HB PRO 49 1HB PRO 49 4.723 16.519 5.920 372 2HB PRO 49 2HB PRO 49 4.072 18.120 5.551 373 1HG PRO 49 1HG PRO 49 2.648 15.928 5.042 374 2HG PRO 49 2HG PRO 49 2.628 17.308 3.928 375 1HD PRO 49 1HD PRO 49 4.012 14.680 3.668 376 2HD PRO 49 2HD PRO 49 3.282 15.702 2.414 377 H GLU 50 H GLU 50 6.418 15.301 5.214 378 HA GLU 50 HA GLU 50 9.057 16.532 5.646 379 1HB GLU 50 1HB GLU 50 7.813 14.146 7.026 380 2HB GLU 50 2HB GLU 50 9.448 14.727 7.305 381 1HG GLU 50 1HG GLU 50 8.515 16.875 8.081 382 2HG GLU 50 2HG GLU 50 6.895 16.209 7.885 383 H VAL 51 H VAL 51 8.603 13.099 5.812 384 HA VAL 51 HA VAL 51 9.778 12.708 3.154 385 HB VAL 51 HB VAL 51 10.867 11.310 5.605 386 1HG1 VAL 51 1HG1 VAL 51 11.024 9.994 3.574 387 2HG1 VAL 51 2HG1 VAL 51 12.625 10.542 4.063 388 3HG1 VAL 51 3HG1 VAL 51 11.791 11.341 2.733 389 1HG2 VAL 51 1HG2 VAL 51 12.113 13.564 4.022 390 2HG2 VAL 51 2HG2 VAL 51 12.908 12.648 5.301 391 3HG2 VAL 51 3HG2 VAL 51 11.517 13.663 5.678 392 H SER 52 H SER 52 9.106 10.670 5.995 393 HA SER 52 HA SER 52 7.688 8.801 4.279 394 1HB SER 52 1HB SER 52 9.347 7.886 5.819 395 2HB SER 52 2HB SER 52 8.503 8.608 7.186 396 HG SER 52 HG SER 52 6.957 6.986 5.574 397 H ASP 53 H ASP 53 7.017 11.325 6.404 398 HA ASP 53 HA ASP 53 5.133 12.389 7.005 399 1HB ASP 53 1HB ASP 53 4.287 11.646 4.763 400 2HB ASP 53 2HB ASP 53 3.583 10.252 5.567 401 H ASN 54 H ASN 54 5.521 9.044 7.664 402 HA ASN 54 HA ASN 54 5.278 7.895 9.622 403 1HB ASN 54 1HB ASN 54 5.440 9.887 10.981 404 2HB ASN 54 2HB ASN 54 3.782 10.337 10.601 405 1HD2 ASN 54 1HD2 ASN 54 2.121 9.411 11.705 406 2HD2 ASN 54 2HD2 ASN 54 2.350 8.368 13.068 407 HA PRO 55 HA PRO 55 1.464 6.433 7.796 408 1HB PRO 55 1HB PRO 55 2.208 3.891 7.510 409 2HB PRO 55 2HB PRO 55 2.932 5.172 6.533 410 1HG PRO 55 1HG PRO 55 4.036 3.745 8.906 411 2HG PRO 55 2HG PRO 55 4.867 4.299 7.442 412 1HD PRO 55 1HD PRO 55 4.814 5.627 9.910 413 2HD PRO 55 2HD PRO 55 5.298 6.333 8.356 414 H VAL 56 H VAL 56 2.061 6.397 10.905 415 HA VAL 56 HA VAL 56 1.177 4.014 12.019 416 HB VAL 56 HB VAL 56 0.771 6.821 13.056 417 1HG1 VAL 56 1HG1 VAL 56 0.508 4.191 14.517 418 2HG1 VAL 56 2HG1 VAL 56 -0.805 5.304 14.134 419 3HG1 VAL 56 3HG1 VAL 56 0.460 5.790 15.260 420 1HG2 VAL 56 1HG2 VAL 56 3.101 6.251 12.751 421 2HG2 VAL 56 2HG2 VAL 56 2.876 4.733 13.617 422 3HG2 VAL 56 3HG2 VAL 56 2.719 6.267 14.473 423 H MET 57 H MET 57 -0.757 6.726 10.809 424 HA MET 57 HA MET 57 -3.227 5.842 11.850 425 1HB MET 57 1HB MET 57 -4.275 7.448 10.379 426 2HB MET 57 2HB MET 57 -2.838 8.156 11.097 427 1HG MET 57 1HG MET 57 -3.002 7.019 8.316 428 2HG MET 57 2HG MET 57 -3.115 8.726 8.732 429 1HE MET 57 1HE MET 57 0.403 8.581 7.054 430 2HE MET 57 2HE MET 57 -1.171 9.375 7.087 431 3HE MET 57 3HE MET 57 -1.044 7.693 6.579 432 H ILE 58 H ILE 58 -1.402 4.868 9.087 433 HA ILE 58 HA ILE 58 -3.527 3.766 7.559 434 HB ILE 58 HB ILE 58 -0.596 3.017 7.583 435 1HG1 ILE 58 1HG1 ILE 58 -1.001 5.387 7.029 436 2HG1 ILE 58 2HG1 ILE 58 -0.396 4.487 5.641 437 1HG2 ILE 58 1HG2 ILE 58 -1.935 1.257 6.593 438 2HG2 ILE 58 2HG2 ILE 58 -1.006 2.091 5.351 439 3HG2 ILE 58 3HG2 ILE 58 -2.726 2.423 5.537 440 1HD1 ILE 58 1HD1 ILE 58 -2.150 6.016 4.979 441 2HD1 ILE 58 2HD1 ILE 58 -3.258 5.280 6.140 442 3HD1 ILE 58 3HD1 ILE 58 -2.679 4.347 4.760 443 H GLY 59 H GLY 59 -1.445 2.524 10.111 444 1HA GLY 59 1HA GLY 59 -2.146 -0.208 9.843 445 2HA GLY 59 2HA GLY 59 -1.447 0.540 11.271 446 H GLU 60 H GLU 60 -3.305 2.301 12.074 447 HA GLU 60 HA GLU 60 -5.232 0.692 13.340 448 1HB GLU 60 1HB GLU 60 -4.940 3.677 13.058 449 2HB GLU 60 2HB GLU 60 -6.193 2.922 14.036 450 1HG GLU 60 1HG GLU 60 -3.241 2.498 14.415 451 2HG GLU 60 2HG GLU 60 -4.231 3.623 15.341 452 H LEU 61 H LEU 61 -5.298 2.540 10.383 453 HA LEU 61 HA LEU 61 -8.064 2.744 9.994 454 1HB LEU 61 1HB LEU 61 -6.482 3.973 8.629 455 2HB LEU 61 2HB LEU 61 -5.824 2.480 7.987 456 HG LEU 61 HG LEU 61 -7.986 2.023 6.880 457 1HD1 LEU 61 1HD1 LEU 61 -8.730 4.767 7.879 458 2HD1 LEU 61 2HD1 LEU 61 -9.451 3.241 8.392 459 3HD1 LEU 61 3HD1 LEU 61 -9.656 3.800 6.732 460 1HD2 LEU 61 1HD2 LEU 61 -6.792 4.712 6.229 461 2HD2 LEU 61 2HD2 LEU 61 -7.760 3.716 5.141 462 3HD2 LEU 61 3HD2 LEU 61 -6.178 3.152 5.682 463 H LEU 62 H LEU 62 -5.808 0.314 8.693 464 HA LEU 62 HA LEU 62 -7.775 -1.309 7.508 465 1HB LEU 62 1HB LEU 62 -4.927 -1.692 8.311 466 2HB LEU 62 2HB LEU 62 -5.866 -3.102 7.870 467 HG LEU 62 HG LEU 62 -6.253 -2.215 5.649 468 1HD1 LEU 62 1HD1 LEU 62 -4.638 0.178 6.521 469 2HD1 LEU 62 2HD1 LEU 62 -6.371 0.165 6.194 470 3HD1 LEU 62 3HD1 LEU 62 -5.225 -0.139 4.889 471 1HD2 LEU 62 1HD2 LEU 62 -3.356 -2.037 6.462 472 2HD2 LEU 62 2HD2 LEU 62 -3.952 -2.241 4.813 473 3HD2 LEU 62 3HD2 LEU 62 -4.229 -3.502 6.016 474 H ARG 63 H ARG 63 -6.644 -1.078 10.773 475 HA ARG 63 HA ARG 63 -7.374 -3.732 11.519 476 1HB ARG 63 1HB ARG 63 -6.150 -1.413 12.837 477 2HB ARG 63 2HB ARG 63 -7.081 -2.471 13.893 478 1HG ARG 63 1HG ARG 63 -4.854 -3.352 12.063 479 2HG ARG 63 2HG ARG 63 -4.719 -3.107 13.809 480 1HD ARG 63 1HD ARG 63 -6.367 -4.846 14.204 481 2HD ARG 63 2HD ARG 63 -6.599 -5.053 12.471 482 HE ARG 63 HE ARG 63 -4.037 -5.614 12.629 483 1HH1 ARG 63 1HH1 ARG 63 -6.620 -6.538 14.811 484 2HH1 ARG 63 2HH1 ARG 63 -5.877 -8.041 15.266 485 1HH2 ARG 63 1HH2 ARG 63 -3.062 -7.615 13.217 486 2HH2 ARG 63 2HH2 ARG 63 -3.876 -8.664 14.344 487 H GLU 64 H GLU 64 -9.308 -0.994 11.033 488 HA GLU 64 HA GLU 64 -11.172 -1.607 13.146 489 1HB GLU 64 1HB GLU 64 -12.582 0.092 12.298 490 2HB GLU 64 2HB GLU 64 -10.944 0.686 12.097 491 1HG GLU 64 1HG GLU 64 -11.019 0.522 9.811 492 2HG GLU 64 2HG GLU 64 -12.274 -0.719 9.836 493 H PHE 65 H PHE 65 -10.389 -3.048 10.260 494 HA PHE 65 HA PHE 65 -12.957 -4.493 10.229 495 1HB PHE 65 1HB PHE 65 -10.943 -4.241 7.980 496 2HB PHE 65 2HB PHE 65 -12.457 -5.134 7.911 497 HD1 PHE 65 HD1 PHE 65 -14.616 -3.783 8.283 498 HD2 PHE 65 HD2 PHE 65 -10.862 -2.035 7.314 499 HE1 PHE 65 HE1 PHE 65 -15.770 -1.769 7.476 500 HE2 PHE 65 HE2 PHE 65 -12.010 -0.012 6.506 501 HZ PHE 65 HZ PHE 65 -14.465 0.122 6.583 502 HA PRO 66 HA PRO 66 -9.601 -7.182 11.889 503 1HB PRO 66 1HB PRO 66 -11.030 -8.332 13.873 504 2HB PRO 66 2HB PRO 66 -10.279 -6.741 14.032 505 1HG PRO 66 1HG PRO 66 -13.128 -7.453 13.496 506 2HG PRO 66 2HG PRO 66 -12.463 -6.152 14.500 507 1HD PRO 66 1HD PRO 66 -13.447 -5.801 11.959 508 2HD PRO 66 2HD PRO 66 -12.260 -4.732 12.731 509 H ASP 67 H ASP 67 -12.681 -7.869 10.573 510 HA ASP 67 HA ASP 67 -12.595 -10.686 10.618 511 1HB ASP 67 1HB ASP 67 -14.071 -8.663 8.948 512 2HB ASP 67 2HB ASP 67 -14.271 -10.387 8.726 513 H TYR 68 H TYR 68 -11.162 -8.258 8.688 514 HA TYR 68 HA TYR 68 -10.222 -10.219 6.740 515 1HB TYR 68 1HB TYR 68 -10.154 -7.195 6.703 516 2HB TYR 68 2HB TYR 68 -9.488 -8.227 5.454 517 HD1 TYR 68 HD1 TYR 68 -12.189 -6.247 6.261 518 HD2 TYR 68 HD2 TYR 68 -11.299 -10.046 4.568 519 HE1 TYR 68 HE1 TYR 68 -14.358 -6.231 5.106 520 HE2 TYR 68 HE2 TYR 68 -13.467 -10.042 3.405 521 HH TYR 68 HH TYR 68 -15.319 -7.339 2.981 522 H THR 69 H THR 69 -8.274 -11.046 7.158 523 HA THR 69 HA THR 69 -6.414 -9.655 8.857 524 HB THR 69 HB THR 69 -4.854 -11.552 8.056 525 HG1 THR 69 HG1 THR 69 -7.370 -12.695 7.330 526 1HG2 THR 69 1HG2 THR 69 -5.852 -13.114 9.665 527 2HG2 THR 69 2HG2 THR 69 -7.347 -12.176 9.641 528 3HG2 THR 69 3HG2 THR 69 -5.866 -11.459 10.278 529 H TRP 70 H TRP 70 -5.526 -7.891 8.051 530 HA TRP 70 HA TRP 70 -5.160 -7.604 5.201 531 1HB TRP 70 1HB TRP 70 -4.725 -5.664 7.481 532 2HB TRP 70 2HB TRP 70 -4.458 -5.268 5.786 533 HD1 TRP 70 HD1 TRP 70 -7.204 -5.718 8.354 534 HE1 TRP 70 HE1 TRP 70 -9.455 -5.046 7.307 535 HE3 TRP 70 HE3 TRP 70 -5.707 -5.204 3.503 536 HZ2 TRP 70 HZ2 TRP 70 -10.465 -4.380 4.741 537 HZ3 TRP 70 HZ3 TRP 70 -7.359 -4.547 1.813 538 HH2 TRP 70 HH2 TRP 70 -9.695 -4.149 2.415 539 H GLN 71 H GLN 71 -3.481 -8.737 4.469 540 HA GLN 71 HA GLN 71 -0.955 -8.680 5.892 541 1HB GLN 71 1HB GLN 71 -1.773 -9.942 3.271 542 2HB GLN 71 2HB GLN 71 -0.139 -10.026 3.919 543 1HG GLN 71 1HG GLN 71 -1.046 -11.126 5.939 544 2HG GLN 71 2HG GLN 71 -2.637 -11.135 5.183 545 1HE2 GLN 71 1HE2 GLN 71 -2.737 -13.387 5.234 546 2HE2 GLN 71 2HE2 GLN 71 -1.788 -14.366 4.160 547 H VAL 72 H VAL 72 0.157 -6.862 5.811 548 HA VAL 72 HA VAL 72 0.009 -5.137 3.483 549 HB VAL 72 HB VAL 72 1.606 -4.741 6.022 550 1HG1 VAL 72 1HG1 VAL 72 2.369 -3.402 4.126 551 2HG1 VAL 72 2HG1 VAL 72 1.635 -2.395 5.374 552 3HG1 VAL 72 3HG1 VAL 72 0.734 -2.777 3.907 553 1HG2 VAL 72 1HG2 VAL 72 -0.219 -3.278 6.756 554 2HG2 VAL 72 2HG2 VAL 72 -0.766 -4.941 6.547 555 3HG2 VAL 72 3HG2 VAL 72 -1.151 -3.728 5.328 556 H ALA 73 H ALA 73 1.302 -5.507 1.832 557 HA ALA 73 HA ALA 73 3.948 -6.692 2.356 558 1HB ALA 73 1HB ALA 73 2.484 -8.092 0.984 559 2HB ALA 73 2HB ALA 73 3.874 -7.526 0.057 560 3HB ALA 73 3HB ALA 73 2.296 -6.770 -0.169 561 H ILE 74 H ILE 74 5.643 -5.437 2.041 562 HA ILE 74 HA ILE 74 5.323 -3.068 0.324 563 HB ILE 74 HB ILE 74 7.345 -2.188 1.568 564 1HG1 ILE 74 1HG1 ILE 74 6.659 -4.499 3.402 565 2HG1 ILE 74 2HG1 ILE 74 8.171 -4.259 2.531 566 1HG2 ILE 74 1HG2 ILE 74 5.996 -1.502 3.542 567 2HG2 ILE 74 2HG2 ILE 74 4.763 -2.662 3.049 568 3HG2 ILE 74 3HG2 ILE 74 5.164 -1.302 2.003 569 1HD1 ILE 74 1HD1 ILE 74 8.635 -2.281 3.861 570 2HD1 ILE 74 2HD1 ILE 74 8.385 -3.694 4.886 571 3HD1 ILE 74 3HD1 ILE 74 7.107 -2.490 4.716 572 H ALA 75 H ALA 75 6.822 -2.664 -1.281 573 HA ALA 75 HA ALA 75 8.400 -5.040 -1.988 574 1HB ALA 75 1HB ALA 75 8.112 -4.384 -4.311 575 2HB ALA 75 2HB ALA 75 7.230 -2.940 -3.807 576 3HB ALA 75 3HB ALA 75 6.550 -4.540 -3.506 577 H ASP 76 H ASP 76 10.397 -4.810 -2.998 578 HA ASP 76 HA ASP 76 12.109 -2.743 -2.113 579 1HB ASP 76 1HB ASP 76 13.087 -4.859 -2.567 580 2HB ASP 76 2HB ASP 76 12.365 -4.935 -4.165 581 H LEU 77 H LEU 77 13.396 -1.367 -3.615 582 HA LEU 77 HA LEU 77 11.720 0.428 -4.959 583 1HB LEU 77 1HB LEU 77 13.817 1.128 -4.003 584 2HB LEU 77 2HB LEU 77 14.709 0.050 -5.058 585 HG LEU 77 HG LEU 77 14.052 1.397 -6.995 586 1HD1 LEU 77 1HD1 LEU 77 11.920 2.237 -6.155 587 2HD1 LEU 77 2HD1 LEU 77 12.966 3.557 -6.681 588 3HD1 LEU 77 3HD1 LEU 77 12.773 3.217 -4.960 589 1HD2 LEU 77 1HD2 LEU 77 15.307 2.969 -4.753 590 2HD2 LEU 77 2HD2 LEU 77 15.413 3.364 -6.468 591 3HD2 LEU 77 3HD2 LEU 77 16.141 1.878 -5.859 592 H GLU 78 H GLU 78 14.066 -1.905 -6.281 593 HA GLU 78 HA GLU 78 13.434 -1.301 -8.997 594 1HB GLU 78 1HB GLU 78 14.842 -3.707 -7.837 595 2HB GLU 78 2HB GLU 78 14.839 -3.239 -9.530 596 1HG GLU 78 1HG GLU 78 16.042 -1.203 -8.993 597 2HG GLU 78 2HG GLU 78 15.998 -1.614 -7.279 598 H GLN 79 H GLN 79 12.163 -3.417 -6.602 599 HA GLN 79 HA GLN 79 10.789 -5.169 -8.406 600 1HB GLN 79 1HB GLN 79 10.408 -4.682 -5.447 601 2HB GLN 79 2HB GLN 79 9.625 -5.965 -6.361 602 1HG GLN 79 1HG GLN 79 12.604 -5.642 -6.075 603 2HG GLN 79 2HG GLN 79 11.611 -6.709 -5.086 604 1HE2 GLN 79 1HE2 GLN 79 13.820 -7.174 -7.043 605 2HE2 GLN 79 2HE2 GLN 79 13.189 -8.368 -8.133 606 H SER 80 H SER 80 9.967 -2.252 -6.589 607 HA SER 80 HA SER 80 7.206 -2.264 -7.017 608 1HB SER 80 1HB SER 80 9.078 0.102 -6.753 609 2HB SER 80 2HB SER 80 7.321 0.181 -6.620 610 HG SER 80 HG SER 80 9.129 -1.207 -4.920 611 H GLU 81 H GLU 81 9.824 -0.953 -8.993 612 HA GLU 81 HA GLU 81 8.247 0.200 -10.999 613 1HB GLU 81 1HB GLU 81 11.034 -0.964 -11.118 614 2HB GLU 81 2HB GLU 81 10.306 -0.005 -12.395 615 1HG GLU 81 1HG GLU 81 10.753 0.992 -9.593 616 2HG GLU 81 2HG GLU 81 11.874 1.244 -10.927 617 H ALA 82 H ALA 82 9.579 -3.054 -10.639 618 HA ALA 82 HA ALA 82 8.729 -3.969 -13.200 619 1HB ALA 82 1HB ALA 82 9.323 -6.208 -12.354 620 2HB ALA 82 2HB ALA 82 9.557 -5.517 -10.748 621 3HB ALA 82 3HB ALA 82 10.596 -5.017 -12.083 622 H ILE 83 H ILE 83 7.371 -4.185 -9.941 623 HA ILE 83 HA ILE 83 5.223 -5.914 -10.630 624 HB ILE 83 HB ILE 83 5.548 -4.000 -8.311 625 1HG1 ILE 83 1HG1 ILE 83 5.757 -7.015 -8.479 626 2HG1 ILE 83 2HG1 ILE 83 7.124 -5.906 -8.423 627 1HG2 ILE 83 1HG2 ILE 83 3.430 -6.112 -8.707 628 2HG2 ILE 83 2HG2 ILE 83 3.168 -4.369 -8.760 629 3HG2 ILE 83 3HG2 ILE 83 3.665 -5.140 -7.254 630 1HD1 ILE 83 1HD1 ILE 83 6.405 -5.171 -6.197 631 2HD1 ILE 83 2HD1 ILE 83 6.741 -6.898 -6.261 632 3HD1 ILE 83 3HD1 ILE 83 5.074 -6.326 -6.260 633 H GLY 84 H GLY 84 5.511 -2.396 -10.308 634 1HA GLY 84 1HA GLY 84 2.880 -1.714 -10.968 635 2HA GLY 84 2HA GLY 84 4.290 -0.702 -11.260 636 H ASP 85 H ASP 85 5.703 -2.156 -13.052 637 HA ASP 85 HA ASP 85 4.576 -1.632 -15.526 638 1HB ASP 85 1HB ASP 85 6.949 -1.991 -15.274 639 2HB ASP 85 2HB ASP 85 6.690 -3.640 -14.727 640 H ARG 86 H ARG 86 4.692 -4.680 -13.741 641 HA ARG 86 HA ARG 86 3.449 -6.246 -15.728 642 1HB ARG 86 1HB ARG 86 4.828 -7.176 -13.904 643 2HB ARG 86 2HB ARG 86 3.576 -6.738 -12.751 644 1HG ARG 86 1HG ARG 86 2.022 -8.265 -13.855 645 2HG ARG 86 2HG ARG 86 3.273 -8.698 -15.019 646 1HD ARG 86 1HD ARG 86 4.666 -9.543 -13.189 647 2HD ARG 86 2HD ARG 86 3.399 -9.130 -12.038 648 HE ARG 86 HE ARG 86 2.276 -10.792 -13.983 649 1HH1 ARG 86 1HH1 ARG 86 4.796 -11.021 -11.534 650 2HH1 ARG 86 2HH1 ARG 86 4.450 -12.693 -11.182 651 1HH2 ARG 86 1HH2 ARG 86 1.880 -13.003 -13.525 652 2HH2 ARG 86 2HH2 ARG 86 2.818 -13.807 -12.303 653 H PHE 87 H PHE 87 2.154 -4.235 -13.182 654 HA PHE 87 HA PHE 87 -0.491 -5.432 -13.423 655 1HB PHE 87 1HB PHE 87 0.461 -4.692 -11.213 656 2HB PHE 87 2HB PHE 87 0.317 -3.029 -11.773 657 HD1 PHE 87 HD1 PHE 87 -1.728 -1.875 -11.597 658 HD2 PHE 87 HD2 PHE 87 -1.627 -6.098 -11.054 659 HE1 PHE 87 HE1 PHE 87 -4.061 -1.829 -10.812 660 HE2 PHE 87 HE2 PHE 87 -3.958 -6.054 -10.274 661 HZ PHE 87 HZ PHE 87 -5.179 -3.921 -10.149 662 H GLY 88 H GLY 88 1.217 -2.528 -14.366 663 1HA GLY 88 1HA GLY 88 0.583 -1.349 -16.352 664 2HA GLY 88 2HA GLY 88 -1.084 -1.812 -16.050 665 H VAL 89 H VAL 89 1.321 -0.367 -13.879 666 HA VAL 89 HA VAL 89 -0.606 1.784 -13.339 667 HB VAL 89 HB VAL 89 0.430 0.330 -11.463 668 1HG1 VAL 89 1HG1 VAL 89 2.555 1.140 -10.567 669 2HG1 VAL 89 2HG1 VAL 89 2.737 2.199 -11.964 670 3HG1 VAL 89 3HG1 VAL 89 2.742 0.451 -12.179 671 1HG2 VAL 89 1HG2 VAL 89 0.411 2.184 -9.894 672 2HG2 VAL 89 2HG2 VAL 89 -0.898 2.349 -11.064 673 3HG2 VAL 89 3HG2 VAL 89 0.556 3.333 -11.222 674 H PHE 90 H PHE 90 0.474 3.960 -12.854 675 HA PHE 90 HA PHE 90 1.946 4.687 -15.215 676 1HB PHE 90 1HB PHE 90 1.276 6.503 -12.901 677 2HB PHE 90 2HB PHE 90 1.528 6.938 -14.589 678 HD1 PHE 90 HD1 PHE 90 -0.863 6.201 -12.094 679 HD2 PHE 90 HD2 PHE 90 -0.170 5.968 -16.287 680 HE1 PHE 90 HE1 PHE 90 -3.289 6.041 -12.482 681 HE2 PHE 90 HE2 PHE 90 -2.593 5.811 -16.682 682 HZ PHE 90 HZ PHE 90 -4.156 5.848 -14.778 683 H ARG 91 H ARG 91 2.501 5.434 -11.787 684 HA ARG 91 HA ARG 91 5.143 4.570 -11.592 685 1HB ARG 91 1HB ARG 91 5.593 6.346 -13.275 686 2HB ARG 91 2HB ARG 91 4.910 7.538 -12.177 687 1HG ARG 91 1HG ARG 91 7.171 7.776 -11.817 688 2HG ARG 91 2HG ARG 91 6.703 6.675 -10.520 689 1HD ARG 91 1HD ARG 91 7.295 4.833 -12.283 690 2HD ARG 91 2HD ARG 91 8.237 6.126 -13.020 691 HE ARG 91 HE ARG 91 9.040 4.574 -10.860 692 1HH1 ARG 91 1HH1 ARG 91 8.932 8.008 -11.691 693 2HH1 ARG 91 2HH1 ARG 91 10.172 8.434 -10.553 694 1HH2 ARG 91 1HH2 ARG 91 10.704 5.164 -9.437 695 2HH2 ARG 91 2HH2 ARG 91 11.155 6.836 -9.256 696 H PHE 92 H PHE 92 2.634 6.791 -10.691 697 HA PHE 92 HA PHE 92 3.534 7.893 -8.347 698 1HB PHE 92 1HB PHE 92 0.718 6.980 -8.962 699 2HB PHE 92 2HB PHE 92 1.166 8.127 -7.704 700 HD1 PHE 92 HD1 PHE 92 0.574 7.634 -11.247 701 HD2 PHE 92 HD2 PHE 92 2.015 10.356 -8.307 702 HE1 PHE 92 HE1 PHE 92 0.372 9.481 -12.862 703 HE2 PHE 92 HE2 PHE 92 1.822 12.205 -9.916 704 HZ PHE 92 HZ PHE 92 0.997 11.769 -12.196 705 HA PRO 93 HA PRO 93 3.822 4.252 -5.745 706 1HB PRO 93 1HB PRO 93 5.086 5.947 -3.791 707 2HB PRO 93 2HB PRO 93 5.827 4.717 -4.815 708 1HG PRO 93 1HG PRO 93 6.298 7.411 -5.041 709 2HG PRO 93 2HG PRO 93 6.517 6.246 -6.356 710 1HD PRO 93 1HD PRO 93 4.250 8.125 -5.838 711 2HD PRO 93 2HD PRO 93 4.998 7.656 -7.381 712 H ALA 94 H ALA 94 2.400 3.538 -4.281 713 HA ALA 94 HA ALA 94 1.362 5.070 -2.145 714 1HB ALA 94 1HB ALA 94 -0.563 4.634 -4.431 715 2HB ALA 94 2HB ALA 94 0.114 6.188 -3.943 716 3HB ALA 94 3HB ALA 94 -0.956 5.311 -2.850 717 H THR 95 H THR 95 -0.868 3.876 -1.437 718 HA THR 95 HA THR 95 -0.106 1.079 -1.147 719 HB THR 95 HB THR 95 -2.407 2.517 0.178 720 HG1 THR 95 HG1 THR 95 -0.621 3.665 0.798 721 1HG2 THR 95 1HG2 THR 95 -2.083 0.798 1.919 722 2HG2 THR 95 2HG2 THR 95 -0.828 0.054 0.927 723 3HG2 THR 95 3HG2 THR 95 -2.495 0.099 0.355 724 H LEU 96 H LEU 96 -0.817 -0.221 -2.736 725 HA LEU 96 HA LEU 96 -3.489 0.190 -3.843 726 1HB LEU 96 1HB LEU 96 -1.242 -1.660 -4.660 727 2HB LEU 96 2HB LEU 96 -2.820 -1.648 -5.423 728 HG LEU 96 HG LEU 96 -2.341 0.839 -5.908 729 1HD1 LEU 96 1HD1 LEU 96 0.012 1.420 -6.127 730 2HD1 LEU 96 2HD1 LEU 96 0.468 -0.124 -5.404 731 3HD1 LEU 96 3HD1 LEU 96 -0.403 1.076 -4.448 732 1HD2 LEU 96 1HD2 LEU 96 -2.435 -0.910 -7.612 733 2HD2 LEU 96 2HD2 LEU 96 -0.749 -1.314 -7.295 734 3HD2 LEU 96 3HD2 LEU 96 -1.168 0.264 -7.965 735 H VAL 97 H VAL 97 -5.181 -1.008 -3.216 736 HA VAL 97 HA VAL 97 -4.622 -3.228 -1.372 737 HB VAL 97 HB VAL 97 -5.905 -1.579 -0.258 738 1HG1 VAL 97 1HG1 VAL 97 -6.686 -0.301 -2.154 739 2HG1 VAL 97 2HG1 VAL 97 -8.046 -0.721 -1.110 740 3HG1 VAL 97 3HG1 VAL 97 -7.783 -1.606 -2.614 741 1HG2 VAL 97 1HG2 VAL 97 -7.782 -3.760 -1.168 742 2HG2 VAL 97 2HG2 VAL 97 -8.011 -2.731 0.246 743 3HG2 VAL 97 3HG2 VAL 97 -6.648 -3.850 0.181 744 H PHE 98 H PHE 98 -5.272 -5.238 -1.763 745 HA PHE 98 HA PHE 98 -6.932 -5.742 -4.146 746 1HB PHE 98 1HB PHE 98 -4.515 -7.356 -3.297 747 2HB PHE 98 2HB PHE 98 -5.528 -7.658 -4.701 748 HD1 PHE 98 HD1 PHE 98 -5.402 -6.202 -6.660 749 HD2 PHE 98 HD2 PHE 98 -2.828 -5.671 -3.313 750 HE1 PHE 98 HE1 PHE 98 -3.903 -4.817 -8.036 751 HE2 PHE 98 HE2 PHE 98 -1.331 -4.277 -4.678 752 HZ PHE 98 HZ PHE 98 -1.865 -3.850 -7.045 753 H THR 99 H THR 99 -8.516 -7.240 -3.858 754 HA THR 99 HA THR 99 -8.355 -9.092 -1.608 755 HB THR 99 HB THR 99 -10.910 -7.593 -2.010 756 HG1 THR 99 HG1 THR 99 -8.925 -6.870 -0.073 757 1HG2 THR 99 1HG2 THR 99 -11.058 -9.619 -0.722 758 2HG2 THR 99 2HG2 THR 99 -11.267 -8.230 0.352 759 3HG2 THR 99 3HG2 THR 99 -9.729 -9.095 0.314 760 H GLY 100 H GLY 100 -9.524 -10.942 -1.916 761 1HA GLY 100 1HA GLY 100 -10.430 -12.673 -3.135 762 2HA GLY 100 2HA GLY 100 -11.558 -11.462 -3.719 763 H GLY 101 H GLY 101 -8.076 -11.503 -4.286 764 1HA GLY 101 1HA GLY 101 -6.851 -11.700 -6.217 765 2HA GLY 101 2HA GLY 101 -8.176 -12.647 -6.874 766 H ASN 102 H ASN 102 -9.135 -9.563 -5.804 767 HA ASN 102 HA ASN 102 -8.985 -8.538 -8.561 768 1HB ASN 102 1HB ASN 102 -11.290 -8.545 -6.649 769 2HB ASN 102 2HB ASN 102 -11.157 -7.272 -7.859 770 1HD2 ASN 102 1HD2 ASN 102 -11.548 -10.677 -7.320 771 2HD2 ASN 102 2HD2 ASN 102 -12.166 -11.065 -8.891 772 H TYR 103 H TYR 103 -9.344 -6.174 -8.662 773 HA TYR 103 HA TYR 103 -7.538 -4.910 -6.751 774 1HB TYR 103 1HB TYR 103 -7.095 -4.735 -9.186 775 2HB TYR 103 2HB TYR 103 -8.628 -3.900 -9.391 776 HD1 TYR 103 HD1 TYR 103 -5.598 -3.578 -7.210 777 HD2 TYR 103 HD2 TYR 103 -8.466 -1.629 -9.673 778 HE1 TYR 103 HE1 TYR 103 -4.446 -1.439 -6.852 779 HE2 TYR 103 HE2 TYR 103 -7.323 0.518 -9.314 780 HH TYR 103 HH TYR 103 -4.222 0.727 -7.948 781 H ARG 104 H ARG 104 -8.340 -3.777 -5.111 782 HA ARG 104 HA ARG 104 -11.091 -2.906 -5.057 783 1HB ARG 104 1HB ARG 104 -8.793 -2.385 -3.160 784 2HB ARG 104 2HB ARG 104 -10.455 -1.909 -2.865 785 1HG ARG 104 1HG ARG 104 -9.636 -4.764 -3.291 786 2HG ARG 104 2HG ARG 104 -9.645 -3.992 -1.703 787 1HD ARG 104 1HD ARG 104 -12.089 -3.341 -2.358 788 2HD ARG 104 2HD ARG 104 -11.934 -4.683 -3.493 789 HE ARG 104 HE ARG 104 -11.064 -5.645 -1.052 790 1HH1 ARG 104 1HH1 ARG 104 -14.025 -4.347 -2.386 791 2HH1 ARG 104 2HH1 ARG 104 -15.061 -5.216 -1.295 792 1HH2 ARG 104 1HH2 ARG 104 -12.414 -6.743 0.441 793 2HH2 ARG 104 2HH2 ARG 104 -14.139 -6.534 0.358 794 H GLY 105 H GLY 105 -7.937 -1.303 -4.901 795 1HA GLY 105 1HA GLY 105 -8.258 0.714 -6.692 796 2HA GLY 105 2HA GLY 105 -9.067 1.311 -5.247 797 H VAL 106 H VAL 106 -7.314 2.969 -5.450 798 HA VAL 106 HA VAL 106 -4.927 2.022 -4.023 799 HB VAL 106 HB VAL 106 -4.307 2.461 -6.338 800 1HG1 VAL 106 1HG1 VAL 106 -4.458 4.705 -7.304 801 2HG1 VAL 106 2HG1 VAL 106 -5.355 5.248 -5.883 802 3HG1 VAL 106 3HG1 VAL 106 -6.049 4.027 -6.952 803 1HG2 VAL 106 1HG2 VAL 106 -2.494 4.059 -5.954 804 2HG2 VAL 106 2HG2 VAL 106 -2.676 2.952 -4.593 805 3HG2 VAL 106 3HG2 VAL 106 -3.286 4.601 -4.475 806 H LEU 107 H LEU 107 -4.371 3.164 -2.261 807 HA LEU 107 HA LEU 107 -6.164 5.229 -1.366 808 1HB LEU 107 1HB LEU 107 -3.727 3.968 -0.119 809 2HB LEU 107 2HB LEU 107 -4.655 5.238 0.657 810 HG LEU 107 HG LEU 107 -5.744 2.528 -0.116 811 1HD1 LEU 107 1HD1 LEU 107 -4.130 2.376 1.704 812 2HD1 LEU 107 2HD1 LEU 107 -5.770 2.091 2.286 813 3HD1 LEU 107 3HD1 LEU 107 -4.988 3.644 2.580 814 1HD2 LEU 107 1HD2 LEU 107 -6.963 4.797 1.450 815 2HD2 LEU 107 2HD2 LEU 107 -7.677 3.200 1.236 816 3HD2 LEU 107 3HD2 LEU 107 -7.450 4.259 -0.156 817 H ASN 108 H ASN 108 -5.906 7.082 -2.481 818 HA ASN 108 HA ASN 108 -3.246 8.201 -2.857 819 1HB ASN 108 1HB ASN 108 -5.985 9.172 -3.691 820 2HB ASN 108 2HB ASN 108 -4.500 10.060 -4.010 821 1HD2 ASN 108 1HD2 ASN 108 -2.950 7.623 -4.486 822 2HD2 ASN 108 2HD2 ASN 108 -3.436 7.054 -6.042 823 H GLY 109 H GLY 109 -5.551 8.173 -0.473 824 1HA GLY 109 1HA GLY 109 -5.157 10.874 0.479 825 2HA GLY 109 2HA GLY 109 -6.063 9.601 1.289 826 H ILE 110 H ILE 110 -3.977 11.494 2.259 827 HA ILE 110 HA ILE 110 -2.206 9.484 3.461 828 HB ILE 110 HB ILE 110 -1.335 12.031 2.113 829 1HG1 ILE 110 1HG1 ILE 110 -1.414 9.888 0.818 830 2HG1 ILE 110 2HG1 ILE 110 0.184 10.618 0.904 831 1HG2 ILE 110 1HG2 ILE 110 -0.311 12.070 4.305 832 2HG2 ILE 110 2HG2 ILE 110 0.903 11.692 3.081 833 3HG2 ILE 110 3HG2 ILE 110 0.249 10.411 4.101 834 1HD1 ILE 110 1HD1 ILE 110 -0.790 8.303 2.564 835 2HD1 ILE 110 2HD1 ILE 110 0.811 9.040 2.658 836 3HD1 ILE 110 3HD1 ILE 110 0.305 8.212 1.184 837 H HIS 111 H HIS 111 -3.137 12.944 3.601 838 HA HIS 111 HA HIS 111 -2.164 12.987 6.324 839 1HB HIS 111 1HB HIS 111 -1.590 14.779 4.656 840 2HB HIS 111 2HB HIS 111 -3.258 15.329 4.783 841 HD1 HIS 111 HD1 HIS 111 -0.767 14.313 7.482 842 HD2 HIS 111 HD2 HIS 111 -3.202 17.502 6.373 843 HE1 HIS 111 HE1 HIS 111 -0.473 16.056 9.277 844 HE2 HIS 111 HE2 HIS 111 -2.093 17.894 8.677 845 HA PRO 112 HA PRO 112 -6.611 14.558 7.316 846 1HB PRO 112 1HB PRO 112 -8.220 13.722 4.998 847 2HB PRO 112 2HB PRO 112 -8.237 15.249 5.879 848 1HG PRO 112 1HG PRO 112 -7.213 15.064 3.406 849 2HG PRO 112 2HG PRO 112 -6.519 16.146 4.626 850 1HD PRO 112 1HD PRO 112 -5.545 13.480 3.687 851 2HD PRO 112 2HD PRO 112 -4.618 14.936 4.101 852 H TRP 113 H TRP 113 -7.377 13.178 8.742 853 HA TRP 113 HA TRP 113 -7.071 10.356 8.329 854 1HB TRP 113 1HB TRP 113 -6.464 11.312 10.468 855 2HB TRP 113 2HB TRP 113 -8.082 11.962 10.679 856 HD1 TRP 113 HD1 TRP 113 -8.976 10.692 12.715 857 HE1 TRP 113 HE1 TRP 113 -9.270 8.215 13.351 858 HE3 TRP 113 HE3 TRP 113 -6.522 8.550 8.773 859 HZ2 TRP 113 HZ2 TRP 113 -8.563 5.689 12.306 860 HZ3 TRP 113 HZ3 TRP 113 -6.383 6.098 8.666 861 HH2 TRP 113 HH2 TRP 113 -7.385 4.701 10.393 862 H ALA 114 H ALA 114 -9.826 12.513 8.980 863 HA ALA 114 HA ALA 114 -11.817 10.533 8.978 864 1HB ALA 114 1HB ALA 114 -12.208 12.805 9.804 865 2HB ALA 114 2HB ALA 114 -13.401 12.355 8.588 866 3HB ALA 114 3HB ALA 114 -12.069 13.427 8.159 867 H GLU 115 H GLU 115 -10.299 12.304 6.366 868 HA GLU 115 HA GLU 115 -12.086 11.377 4.326 869 1HB GLU 115 1HB GLU 115 -10.828 13.495 4.139 870 2HB GLU 115 2HB GLU 115 -9.323 12.589 4.107 871 1HG GLU 115 1HG GLU 115 -9.933 11.571 2.009 872 2HG GLU 115 2HG GLU 115 -11.513 12.355 2.060 873 H LEU 116 H LEU 116 -8.889 10.451 5.528 874 HA LEU 116 HA LEU 116 -8.228 8.527 3.621 875 1HB LEU 116 1HB LEU 116 -6.686 9.394 5.342 876 2HB LEU 116 2HB LEU 116 -7.581 8.523 6.571 877 HG LEU 116 HG LEU 116 -6.954 6.392 5.520 878 1HD1 LEU 116 1HD1 LEU 116 -5.289 8.101 3.676 879 2HD1 LEU 116 2HD1 LEU 116 -6.719 7.178 3.217 880 3HD1 LEU 116 3HD1 LEU 116 -5.267 6.339 3.765 881 1HD2 LEU 116 1HD2 LEU 116 -4.618 8.201 6.121 882 2HD2 LEU 116 2HD2 LEU 116 -4.603 6.437 6.157 883 3HD2 LEU 116 3HD2 LEU 116 -5.588 7.334 7.312 884 H ILE 117 H ILE 117 -10.050 8.192 6.646 885 HA ILE 117 HA ILE 117 -10.523 5.438 6.545 886 HB ILE 117 HB ILE 117 -12.384 7.575 7.607 887 1HG1 ILE 117 1HG1 ILE 117 -10.266 5.974 9.055 888 2HG1 ILE 117 2HG1 ILE 117 -10.118 7.669 8.601 889 1HG2 ILE 117 1HG2 ILE 117 -13.271 5.780 9.029 890 2HG2 ILE 117 2HG2 ILE 117 -12.231 4.622 8.201 891 3HG2 ILE 117 3HG2 ILE 117 -13.513 5.451 7.317 892 1HD1 ILE 117 1HD1 ILE 117 -12.173 6.535 10.490 893 2HD1 ILE 117 2HD1 ILE 117 -11.975 8.233 10.060 894 3HD1 ILE 117 3HD1 ILE 117 -10.705 7.397 10.953 895 H ASN 118 H ASN 118 -12.318 8.151 5.169 896 HA ASN 118 HA ASN 118 -14.559 6.732 4.246 897 1HB ASN 118 1HB ASN 118 -14.059 9.306 4.431 898 2HB ASN 118 2HB ASN 118 -13.507 9.115 2.776 899 1HD2 ASN 118 1HD2 ASN 118 -15.147 10.380 1.942 900 2HD2 ASN 118 2HD2 ASN 118 -16.785 9.841 1.865 901 H LEU 119 H LEU 119 -11.519 7.599 2.706 902 HA LEU 119 HA LEU 119 -12.046 6.614 0.142 903 1HB LEU 119 1HB LEU 119 -9.405 6.734 1.602 904 2HB LEU 119 2HB LEU 119 -9.601 6.525 -0.125 905 HG LEU 119 HG LEU 119 -10.429 8.969 1.437 906 1HD1 LEU 119 1HD1 LEU 119 -8.118 8.496 -0.435 907 2HD1 LEU 119 2HD1 LEU 119 -8.023 8.768 1.304 908 3HD1 LEU 119 3HD1 LEU 119 -8.586 10.057 0.241 909 1HD2 LEU 119 1HD2 LEU 119 -10.433 8.444 -1.533 910 2HD2 LEU 119 2HD2 LEU 119 -10.823 9.975 -0.750 911 3HD2 LEU 119 3HD2 LEU 119 -11.861 8.571 -0.505 912 H MET 120 H MET 120 -10.490 4.971 2.903 913 HA MET 120 HA MET 120 -10.137 2.505 1.544 914 1HB MET 120 1HB MET 120 -8.986 3.246 3.677 915 2HB MET 120 2HB MET 120 -10.479 2.861 4.522 916 1HG MET 120 1HG MET 120 -8.893 1.050 4.715 917 2HG MET 120 2HG MET 120 -10.307 0.543 3.790 918 1HE MET 120 1HE MET 120 -7.555 -1.062 3.838 919 2HE MET 120 2HE MET 120 -7.366 -1.472 2.132 920 3HE MET 120 3HE MET 120 -8.952 -1.583 2.898 921 H ARG 121 H ARG 121 -12.682 3.847 3.518 922 HA ARG 121 HA ARG 121 -14.441 1.704 3.750 923 1HB ARG 121 1HB ARG 121 -14.731 3.789 4.931 924 2HB ARG 121 2HB ARG 121 -14.879 4.674 3.427 925 1HG ARG 121 1HG ARG 121 -17.011 3.435 3.009 926 2HG ARG 121 2HG ARG 121 -16.874 2.794 4.654 927 1HD ARG 121 1HD ARG 121 -16.667 5.158 5.457 928 2HD ARG 121 2HD ARG 121 -17.047 5.685 3.822 929 HE ARG 121 HE ARG 121 -19.098 3.998 4.605 930 1HH1 ARG 121 1HH1 ARG 121 -17.694 7.031 5.599 931 2HH1 ARG 121 2HH1 ARG 121 -19.156 7.648 6.302 932 1HH2 ARG 121 1HH2 ARG 121 -21.067 4.814 5.486 933 2HH2 ARG 121 2HH2 ARG 121 -21.083 6.396 6.203 934 H GLY 122 H GLY 122 -14.115 4.075 1.144 935 1HA GLY 122 1HA GLY 122 -16.238 3.024 -0.427 936 2HA GLY 122 2HA GLY 122 -14.979 4.116 -0.985 937 H LEU 123 H LEU 123 -12.828 2.300 -0.196 938 HA LEU 123 HA LEU 123 -12.777 0.737 -2.596 939 1HB LEU 123 1HB LEU 123 -10.820 0.891 -0.306 940 2HB LEU 123 2HB LEU 123 -10.536 0.035 -1.810 941 HG LEU 123 HG LEU 123 -10.896 3.015 -1.487 942 1HD1 LEU 123 1HD1 LEU 123 -8.731 2.181 -0.735 943 2HD1 LEU 123 2HD1 LEU 123 -8.574 3.137 -2.208 944 3HD1 LEU 123 3HD1 LEU 123 -8.496 1.377 -2.286 945 1HD2 LEU 123 1HD2 LEU 123 -10.432 1.381 -3.981 946 2HD2 LEU 123 2HD2 LEU 123 -10.397 3.141 -3.890 947 3HD2 LEU 123 3HD2 LEU 123 -11.898 2.272 -3.571 948 H VAL 124 H VAL 124 -13.173 0.040 0.854 949 HA VAL 124 HA VAL 124 -13.154 -2.807 0.369 950 HB VAL 124 HB VAL 124 -13.695 -3.093 2.741 951 1HG1 VAL 124 1HG1 VAL 124 -11.377 -2.874 2.114 952 2HG1 VAL 124 2HG1 VAL 124 -11.646 -2.089 3.670 953 3HG1 VAL 124 3HG1 VAL 124 -11.487 -1.116 2.206 954 1HG2 VAL 124 1HG2 VAL 124 -13.817 -1.159 4.242 955 2HG2 VAL 124 2HG2 VAL 124 -15.142 -1.167 3.079 956 3HG2 VAL 124 3HG2 VAL 124 -13.774 -0.080 2.849 957 H GLU 125 H GLU 125 -15.621 -0.353 1.100 958 HA GLU 125 HA GLU 125 -17.568 -2.261 -0.025 959 1HB GLU 125 1HB GLU 125 -17.863 -1.846 2.437 960 2HB GLU 125 2HB GLU 125 -18.192 -0.164 2.055 961 1HG GLU 125 1HG GLU 125 -20.255 -1.373 2.392 962 2HG GLU 125 2HG GLU 125 -20.122 -0.836 0.718 963 HA PRO 126 HA PRO 126 -17.404 1.245 -2.866 964 1HB PRO 126 1HB PRO 126 -18.304 -0.100 -5.017 965 2HB PRO 126 2HB PRO 126 -16.634 -0.214 -4.448 966 1HG PRO 126 1HG PRO 126 -18.917 -2.100 -4.032 967 2HG PRO 126 2HG PRO 126 -17.219 -2.459 -4.403 968 1HD PRO 126 1HD PRO 126 -18.275 -2.629 -1.897 969 2HD PRO 126 2HD PRO 126 -16.570 -2.253 -2.212 970 H GLN 127 H GLN 127 -19.084 1.778 -4.751 971 HA GLN 127 HA GLN 127 -21.034 2.652 -5.328 972 1HB GLN 127 1HB GLN 127 -22.029 0.497 -5.152 973 2HB GLN 127 2HB GLN 127 -22.113 0.638 -3.402 974 1HG GLN 127 1HG GLN 127 -23.635 2.574 -3.717 975 2HG GLN 127 2HG GLN 127 -23.653 2.202 -5.438 976 1HE2 GLN 127 1HE2 GLN 127 -25.800 2.209 -3.434 977 2HE2 GLN 127 2HE2 GLN 127 -26.500 0.623 -3.488 978 H GLN 128 H GLN 128 -20.629 2.260 -1.928 979 HA GLN 128 HA GLN 128 -21.955 4.801 -1.411 980 1HB GLN 128 1HB GLN 128 -20.885 2.724 0.508 981 2HB GLN 128 2HB GLN 128 -21.743 4.189 0.975 982 1HG GLN 128 1HG GLN 128 -23.729 3.425 -0.183 983 2HG GLN 128 2HG GLN 128 -22.878 1.983 -0.728 984 1HE2 GLN 128 1HE2 GLN 128 -22.470 3.333 2.471 985 2HE2 GLN 128 2HE2 GLN 128 -23.288 2.066 3.316 986 H GLU 129 H GLU 129 -20.383 6.046 -2.418 987 HA GLU 129 HA GLU 129 -18.638 7.474 -2.465 988 1HB GLU 129 1HB GLU 129 -18.424 6.481 0.291 989 2HB GLU 129 2HB GLU 129 -16.905 7.022 -0.410 990 1HG GLU 129 1HG GLU 129 -17.935 8.833 0.776 991 2HG GLU 129 2HG GLU 129 -17.946 9.180 -0.951 992 H ARG 130 H ARG 130 -17.219 7.153 -3.975 993 HA ARG 130 HA ARG 130 -14.972 5.393 -3.445 994 1HB ARG 130 1HB ARG 130 -16.611 4.036 -4.839 995 2HB ARG 130 2HB ARG 130 -16.376 5.214 -6.126 996 1HG ARG 130 1HG ARG 130 -13.877 4.691 -5.899 997 2HG ARG 130 2HG ARG 130 -14.389 3.287 -4.970 998 1HD ARG 130 1HD ARG 130 -15.410 3.865 -7.740 999 2HD ARG 130 2HD ARG 130 -13.945 2.935 -7.445 1000 HE ARG 130 HE ARG 130 -16.643 2.128 -6.552 1001 1HH1 ARG 130 1HH1 ARG 130 -13.384 1.346 -7.581 1002 2HH1 ARG 130 2HH1 ARG 130 -13.679 -0.362 -7.664 1003 1HH2 ARG 130 1HH2 ARG 130 -17.040 -0.124 -6.700 1004 2HH2 ARG 130 2HH2 ARG 130 -15.759 -1.200 -7.177 1005 H ALA 131 H ALA 131 -15.366 8.160 -3.349 1006 HA ALA 131 HA ALA 131 -14.604 9.569 -5.638 1007 1HB ALA 131 1HB ALA 131 -15.507 10.660 -3.649 1008 2HB ALA 131 2HB ALA 131 -13.959 11.367 -4.109 1009 3HB ALA 131 3HB ALA 131 -14.047 10.247 -2.750 1010 H SER 132 H SER 132 -12.825 9.395 -6.780 1011 HA SER 132 HA SER 132 -10.252 9.123 -5.435 1012 1HB SER 132 1HB SER 132 -11.127 7.311 -7.701 1013 2HB SER 132 2HB SER 132 -9.536 7.328 -6.943 1014 HG SER 132 HG SER 132 -11.438 7.068 -5.065 Start of MODEL 2 1 1H MET 1 1H MET 1 17.237 7.185 -6.046 2 HA MET 1 HA MET 1 17.165 9.986 -5.651 3 1HB MET 1 1HB MET 1 16.801 8.361 -3.134 4 2HB MET 1 2HB MET 1 17.476 9.984 -3.119 5 1HG MET 1 1HG MET 1 14.745 9.218 -4.123 6 2HG MET 1 2HG MET 1 15.111 10.002 -2.586 7 1HE MET 1 1HE MET 1 13.233 11.823 -3.341 8 2HE MET 1 2HE MET 1 13.055 11.026 -4.903 9 3HE MET 1 3HE MET 1 13.348 12.762 -4.827 10 H SER 2 H SER 2 19.074 10.426 -3.790 11 HA SER 2 HA SER 2 21.383 9.739 -5.247 12 1HB SER 2 1HB SER 2 22.444 10.863 -3.104 13 2HB SER 2 2HB SER 2 21.530 11.818 -4.273 14 HG SER 2 HG SER 2 20.794 12.270 -2.183 15 H ASN 3 H ASN 3 21.547 7.503 -5.244 16 HA ASN 3 HA ASN 3 22.285 5.465 -4.588 17 1HB ASN 3 1HB ASN 3 24.340 6.913 -4.592 18 2HB ASN 3 2HB ASN 3 24.166 7.067 -2.849 19 1HD2 ASN 3 1HD2 ASN 3 24.975 5.516 -1.574 20 2HD2 ASN 3 2HD2 ASN 3 25.669 4.033 -2.139 21 H ASP 4 H ASP 4 20.074 5.794 -3.394 22 HA ASP 4 HA ASP 4 18.697 5.357 -1.641 23 1HB ASP 4 1HB ASP 4 19.343 3.170 -2.544 24 2HB ASP 4 2HB ASP 4 20.604 3.055 -1.314 25 H THR 5 H THR 5 18.345 6.298 0.161 26 HA THR 5 HA THR 5 19.848 5.894 2.523 27 HB THR 5 HB THR 5 19.932 8.703 1.383 28 HG1 THR 5 HG1 THR 5 21.592 6.647 0.978 29 1HG2 THR 5 1HG2 THR 5 21.111 7.570 3.922 30 2HG2 THR 5 2HG2 THR 5 19.707 8.631 3.829 31 3HG2 THR 5 3HG2 THR 5 21.296 9.225 3.346 32 HA PRO 6 HA PRO 6 15.830 8.563 3.180 33 1HB PRO 6 1HB PRO 6 14.418 9.132 0.905 34 2HB PRO 6 2HB PRO 6 15.544 10.258 1.670 35 1HG PRO 6 1HG PRO 6 15.973 8.448 -0.673 36 2HG PRO 6 2HG PRO 6 16.490 10.131 -0.445 37 1HD PRO 6 1HD PRO 6 18.183 8.065 -0.126 38 2HD PRO 6 2HD PRO 6 18.291 9.531 0.869 39 H PHE 7 H PHE 7 15.961 6.365 0.372 40 HA PHE 7 HA PHE 7 13.426 5.189 0.983 41 1HB PHE 7 1HB PHE 7 14.240 5.145 -1.324 42 2HB PHE 7 2HB PHE 7 15.624 4.166 -0.829 43 HD1 PHE 7 HD1 PHE 7 11.960 4.197 -1.199 44 HD2 PHE 7 HD2 PHE 7 15.420 1.817 -0.507 45 HE1 PHE 7 HE1 PHE 7 10.614 2.159 -1.486 46 HE2 PHE 7 HE2 PHE 7 14.078 -0.226 -0.793 47 HZ PHE 7 HZ PHE 7 11.670 -0.055 -1.282 48 H ASP 8 H ASP 8 16.808 4.289 1.520 49 HA ASP 8 HA ASP 8 16.559 1.899 2.850 50 1HB ASP 8 1HB ASP 8 18.699 3.117 2.483 51 2HB ASP 8 2HB ASP 8 18.247 4.255 3.732 52 H ALA 9 H ALA 9 16.342 5.123 4.188 53 HA ALA 9 HA ALA 9 15.430 4.415 6.763 54 1HB ALA 9 1HB ALA 9 14.693 6.733 6.968 55 2HB ALA 9 2HB ALA 9 14.870 6.952 5.226 56 3HB ALA 9 3HB ALA 9 16.290 6.643 6.225 57 H LEU 10 H LEU 10 13.632 5.268 3.837 58 HA LEU 10 HA LEU 10 11.030 5.245 4.775 59 1HB LEU 10 1HB LEU 10 12.302 5.466 2.346 60 2HB LEU 10 2HB LEU 10 11.393 3.986 2.156 61 HG LEU 10 HG LEU 10 10.230 6.013 1.312 62 1HD1 LEU 10 1HD1 LEU 10 8.062 5.491 2.331 63 2HD1 LEU 10 2HD1 LEU 10 8.886 4.566 3.588 64 3HD1 LEU 10 3HD1 LEU 10 8.961 4.035 1.907 65 1HD2 LEU 10 1HD2 LEU 10 9.242 7.557 2.927 66 2HD2 LEU 10 2HD2 LEU 10 11.005 7.601 2.979 67 3HD2 LEU 10 3HD2 LEU 10 10.106 6.743 4.231 68 H TRP 11 H TRP 11 12.854 2.548 3.368 69 HA TRP 11 HA TRP 11 10.775 0.661 3.667 70 1HB TRP 11 1HB TRP 11 13.053 0.629 2.268 71 2HB TRP 11 2HB TRP 11 13.596 -0.287 3.671 72 HD1 TRP 11 HD1 TRP 11 9.996 -0.853 2.968 73 HE1 TRP 11 HE1 TRP 11 9.638 -3.129 1.834 74 HE3 TRP 11 HE3 TRP 11 14.858 -1.978 1.852 75 HZ2 TRP 11 HZ2 TRP 11 11.200 -5.138 0.630 76 HZ3 TRP 11 HZ3 TRP 11 15.338 -4.103 0.710 77 HH2 TRP 11 HH2 TRP 11 13.538 -5.652 0.110 78 H GLN 12 H GLN 12 13.524 1.552 5.701 79 HA GLN 12 HA GLN 12 13.195 -0.400 7.679 80 1HB GLN 12 1HB GLN 12 14.402 2.321 7.600 81 2HB GLN 12 2HB GLN 12 14.139 1.570 9.163 82 1HG GLN 12 1HG GLN 12 15.628 0.213 6.940 83 2HG GLN 12 2HG GLN 12 16.414 1.252 8.123 84 1HE2 GLN 12 1HE2 GLN 12 13.723 -0.842 8.938 85 2HE2 GLN 12 2HE2 GLN 12 14.633 -1.946 9.908 86 H ARG 13 H ARG 13 11.520 2.641 7.145 87 HA ARG 13 HA ARG 13 10.119 2.824 9.553 88 1HB ARG 13 1HB ARG 13 9.148 3.565 6.789 89 2HB ARG 13 2HB ARG 13 8.453 4.125 8.300 90 1HG ARG 13 1HG ARG 13 11.297 4.669 7.519 91 2HG ARG 13 2HG ARG 13 9.960 5.726 7.085 92 1HD ARG 13 1HD ARG 13 9.445 6.075 9.436 93 2HD ARG 13 2HD ARG 13 10.733 4.961 9.895 94 HE ARG 13 HE ARG 13 12.274 6.616 9.524 95 1HH1 ARG 13 1HH1 ARG 13 9.214 7.602 8.119 96 2HH1 ARG 13 2HH1 ARG 13 9.758 9.200 7.717 97 1HH2 ARG 13 1HH2 ARG 13 12.990 8.718 9.006 98 2HH2 ARG 13 2HH2 ARG 13 11.900 9.837 8.241 99 H MET 14 H MET 14 9.111 1.389 6.490 100 HA MET 14 HA MET 14 6.707 0.304 7.502 101 1HB MET 14 1HB MET 14 8.292 -0.407 5.029 102 2HB MET 14 2HB MET 14 6.660 -0.968 5.371 103 1HG MET 14 1HG MET 14 5.947 1.428 5.465 104 2HG MET 14 2HG MET 14 7.552 1.867 4.902 105 1HE MET 14 1HE MET 14 8.485 1.287 2.472 106 2HE MET 14 2HE MET 14 7.630 0.265 1.326 107 3HE MET 14 3HE MET 14 8.239 -0.422 2.833 108 H LEU 15 H LEU 15 9.973 -0.916 7.307 109 HA LEU 15 HA LEU 15 9.327 -3.642 7.818 110 1HB LEU 15 1HB LEU 15 11.761 -2.028 7.629 111 2HB LEU 15 2HB LEU 15 11.876 -3.330 8.797 112 HG LEU 15 HG LEU 15 12.736 -3.993 6.594 113 1HD1 LEU 15 1HD1 LEU 15 10.198 -5.414 7.388 114 2HD1 LEU 15 2HD1 LEU 15 11.807 -5.700 8.049 115 3HD1 LEU 15 3HD1 LEU 15 11.467 -6.077 6.359 116 1HD2 LEU 15 1HD2 LEU 15 11.343 -2.599 5.184 117 2HD2 LEU 15 2HD2 LEU 15 9.915 -3.524 5.647 118 3HD2 LEU 15 3HD2 LEU 15 11.198 -4.294 4.710 119 H ALA 16 H ALA 16 10.012 -0.872 9.853 120 HA ALA 16 HA ALA 16 10.218 -2.284 12.302 121 1HB ALA 16 1HB ALA 16 11.075 -0.017 12.016 122 2HB ALA 16 2HB ALA 16 9.932 -0.101 13.355 123 3HB ALA 16 3HB ALA 16 9.431 0.586 11.809 124 H ARG 17 H ARG 17 7.570 -1.345 10.327 125 HA ARG 17 HA ARG 17 5.584 -1.524 12.411 126 1HB ARG 17 1HB ARG 17 5.234 -1.418 9.414 127 2HB ARG 17 2HB ARG 17 3.960 -1.218 10.602 128 1HG ARG 17 1HG ARG 17 6.317 0.603 10.193 129 2HG ARG 17 2HG ARG 17 4.655 0.908 9.693 130 1HD ARG 17 1HD ARG 17 5.603 0.535 12.527 131 2HD ARG 17 2HD ARG 17 5.217 2.070 11.760 132 HE ARG 17 HE ARG 17 2.896 1.080 11.495 133 1HH1 ARG 17 1HH1 ARG 17 5.055 0.254 14.115 134 2HH1 ARG 17 2HH1 ARG 17 3.780 -0.192 15.208 135 1HH2 ARG 17 1HH2 ARG 17 1.190 0.537 12.966 136 2HH2 ARG 17 2HH2 ARG 17 1.587 -0.019 14.565 137 H GLY 18 H GLY 18 7.339 -3.720 10.610 138 1HA GLY 18 1HA GLY 18 7.295 -6.026 10.771 139 2HA GLY 18 2HA GLY 18 5.763 -5.911 11.625 140 H TRP 19 H TRP 19 6.579 -4.648 8.406 141 HA TRP 19 HA TRP 19 4.442 -6.333 7.332 142 1HB TRP 19 1HB TRP 19 5.709 -3.825 6.211 143 2HB TRP 19 2HB TRP 19 4.471 -4.770 5.389 144 HD1 TRP 19 HD1 TRP 19 2.817 -5.244 8.247 145 HE1 TRP 19 HE1 TRP 19 1.330 -3.311 9.065 146 HE3 TRP 19 HE3 TRP 19 4.924 -1.422 5.581 147 HZ2 TRP 19 HZ2 TRP 19 1.078 -0.532 8.627 148 HZ3 TRP 19 HZ3 TRP 19 3.996 0.843 5.835 149 HH2 TRP 19 HH2 TRP 19 2.111 1.278 7.326 150 H THR 20 H THR 20 4.790 -7.472 5.370 151 HA THR 20 HA THR 20 7.473 -8.612 5.410 152 HB THR 20 HB THR 20 4.996 -9.694 4.058 153 HG1 THR 20 HG1 THR 20 5.930 -9.836 6.718 154 1HG2 THR 20 1HG2 THR 20 6.175 -11.837 4.169 155 2HG2 THR 20 2HG2 THR 20 7.563 -11.044 4.913 156 3HG2 THR 20 3HG2 THR 20 7.109 -10.654 3.254 157 HA PRO 21 HA PRO 21 8.285 -6.956 1.288 158 1HB PRO 21 1HB PRO 21 10.970 -7.929 1.609 159 2HB PRO 21 2HB PRO 21 10.404 -6.260 1.665 160 1HG PRO 21 1HG PRO 21 11.419 -7.632 3.825 161 2HG PRO 21 2HG PRO 21 10.336 -6.234 3.943 162 1HD PRO 21 1HD PRO 21 9.707 -9.147 4.178 163 2HD PRO 21 2HD PRO 21 9.057 -7.774 5.101 164 H VAL 22 H VAL 22 7.623 -8.192 -0.376 165 HA VAL 22 HA VAL 22 8.620 -10.969 -0.544 166 HB VAL 22 HB VAL 22 5.963 -10.005 -1.628 167 1HG1 VAL 22 1HG1 VAL 22 5.442 -12.394 -1.755 168 2HG1 VAL 22 2HG1 VAL 22 7.058 -12.773 -1.156 169 3HG1 VAL 22 3HG1 VAL 22 6.861 -11.982 -2.721 170 1HG2 VAL 22 1HG2 VAL 22 5.936 -9.783 0.802 171 2HG2 VAL 22 2HG2 VAL 22 6.493 -11.448 0.972 172 3HG2 VAL 22 3HG2 VAL 22 4.901 -11.114 0.284 173 H SER 23 H SER 23 9.074 -11.762 -2.672 174 HA SER 23 HA SER 23 9.989 -9.727 -4.492 175 1HB SER 23 1HB SER 23 10.117 -12.743 -4.570 176 2HB SER 23 2HB SER 23 10.810 -11.700 -5.815 177 HG SER 23 HG SER 23 12.134 -10.765 -4.243 178 H GLU 24 H GLU 24 9.554 -9.885 -6.833 179 HA GLU 24 HA GLU 24 6.960 -9.140 -7.302 180 1HB GLU 24 1HB GLU 24 8.528 -10.342 -9.543 181 2HB GLU 24 2HB GLU 24 7.511 -8.913 -9.541 182 1HG GLU 24 1HG GLU 24 9.641 -8.042 -9.730 183 2HG GLU 24 2HG GLU 24 9.313 -7.898 -8.003 184 H SER 25 H SER 25 8.362 -12.260 -8.373 185 HA SER 25 HA SER 25 5.965 -13.227 -9.482 186 1HB SER 25 1HB SER 25 8.321 -14.810 -8.434 187 2HB SER 25 2HB SER 25 7.095 -15.398 -9.557 188 HG SER 25 HG SER 25 9.175 -13.549 -9.973 189 H ARG 26 H ARG 26 7.201 -13.327 -6.219 190 HA ARG 26 HA ARG 26 5.217 -15.287 -5.393 191 1HB ARG 26 1HB ARG 26 7.523 -13.947 -4.007 192 2HB ARG 26 2HB ARG 26 6.293 -14.802 -3.089 193 1HG ARG 26 1HG ARG 26 7.959 -16.031 -5.278 194 2HG ARG 26 2HG ARG 26 8.305 -16.157 -3.553 195 1HD ARG 26 1HD ARG 26 6.039 -17.181 -3.260 196 2HD ARG 26 2HD ARG 26 5.888 -17.215 -5.015 197 HE ARG 26 HE ARG 26 8.230 -18.506 -4.577 198 1HH1 ARG 26 1HH1 ARG 26 4.949 -18.956 -3.393 199 2HH1 ARG 26 2HH1 ARG 26 5.186 -20.638 -3.024 200 1HH2 ARG 26 1HH2 ARG 26 8.525 -20.723 -4.127 201 2HH2 ARG 26 2HH2 ARG 26 7.206 -21.651 -3.456 202 H LEU 27 H LEU 27 5.505 -11.950 -5.719 203 HA LEU 27 HA LEU 27 3.827 -11.062 -3.617 204 1HB LEU 27 1HB LEU 27 5.374 -9.778 -5.338 205 2HB LEU 27 2HB LEU 27 3.915 -9.725 -6.303 206 HG LEU 27 HG LEU 27 4.273 -7.654 -5.038 207 1HD1 LEU 27 1HD1 LEU 27 1.989 -8.334 -5.587 208 2HD1 LEU 27 2HD1 LEU 27 2.062 -7.441 -4.068 209 3HD1 LEU 27 3HD1 LEU 27 1.879 -9.195 -4.051 210 1HD2 LEU 27 1HD2 LEU 27 5.446 -8.575 -3.123 211 2HD2 LEU 27 2HD2 LEU 27 3.979 -9.403 -2.603 212 3HD2 LEU 27 3HD2 LEU 27 4.043 -7.643 -2.605 213 H ASP 28 H ASP 28 3.299 -12.106 -6.938 214 HA ASP 28 HA ASP 28 0.443 -11.757 -6.857 215 1HB ASP 28 1HB ASP 28 1.657 -11.636 -8.983 216 2HB ASP 28 2HB ASP 28 2.205 -13.296 -8.782 217 H ASP 29 H ASP 29 2.716 -14.376 -6.491 218 HA ASP 29 HA ASP 29 1.030 -16.581 -6.269 219 1HB ASP 29 1HB ASP 29 3.598 -16.420 -6.328 220 2HB ASP 29 2HB ASP 29 3.505 -16.151 -4.602 221 H TRP 30 H TRP 30 2.427 -14.606 -3.704 222 HA TRP 30 HA TRP 30 1.070 -15.736 -1.538 223 1HB TRP 30 1HB TRP 30 3.081 -14.108 -1.596 224 2HB TRP 30 2HB TRP 30 1.867 -12.834 -1.636 225 HD1 TRP 30 HD1 TRP 30 0.110 -12.863 0.570 226 HE1 TRP 30 HE1 TRP 30 0.669 -13.373 3.031 227 HE3 TRP 30 HE3 TRP 30 4.518 -15.364 -0.096 228 HZ2 TRP 30 HZ2 TRP 30 2.712 -14.661 4.496 229 HZ3 TRP 30 HZ3 TRP 30 5.711 -16.199 1.887 230 HH2 TRP 30 HH2 TRP 30 4.826 -15.855 4.135 231 H LEU 31 H LEU 31 0.251 -12.920 -3.537 232 HA LEU 31 HA LEU 31 -1.945 -12.036 -2.047 233 1HB LEU 31 1HB LEU 31 -0.799 -10.701 -3.768 234 2HB LEU 31 2HB LEU 31 -1.455 -11.748 -5.010 235 HG LEU 31 HG LEU 31 -3.741 -11.029 -4.377 236 1HD1 LEU 31 1HD1 LEU 31 -2.287 -9.099 -2.575 237 2HD1 LEU 31 2HD1 LEU 31 -3.312 -10.436 -2.057 238 3HD1 LEU 31 3HD1 LEU 31 -4.014 -9.075 -2.930 239 1HD2 LEU 31 1HD2 LEU 31 -3.605 -8.822 -5.375 240 2HD2 LEU 31 2HD2 LEU 31 -2.516 -9.933 -6.204 241 3HD2 LEU 31 3HD2 LEU 31 -1.872 -8.760 -5.056 242 H THR 32 H THR 32 -1.793 -14.363 -4.731 243 HA THR 32 HA THR 32 -4.634 -14.539 -4.950 244 HB THR 32 HB THR 32 -3.084 -15.055 -6.844 245 HG1 THR 32 HG1 THR 32 -5.246 -16.545 -6.001 246 1HG2 THR 32 1HG2 THR 32 -2.123 -17.309 -6.990 247 2HG2 THR 32 2HG2 THR 32 -2.635 -17.632 -5.331 248 3HG2 THR 32 3HG2 THR 32 -1.421 -16.393 -5.653 249 H GLN 33 H GLN 33 -2.240 -16.172 -3.019 250 HA GLN 33 HA GLN 33 -4.135 -18.206 -2.161 251 1HB GLN 33 1HB GLN 33 -1.287 -17.598 -1.356 252 2HB GLN 33 2HB GLN 33 -2.236 -18.916 -0.690 253 1HG GLN 33 1HG GLN 33 -2.330 -20.031 -2.763 254 2HG GLN 33 2HG GLN 33 -1.724 -18.622 -3.628 255 1HE2 GLN 33 1HE2 GLN 33 0.438 -18.081 -3.464 256 2HE2 GLN 33 2HE2 GLN 33 1.636 -19.230 -2.976 257 H ALA 34 H ALA 34 -3.463 -15.034 -1.404 258 HA ALA 34 HA ALA 34 -4.101 -15.258 1.434 259 1HB ALA 34 1HB ALA 34 -3.674 -12.861 1.520 260 2HB ALA 34 2HB ALA 34 -3.509 -12.812 -0.236 261 3HB ALA 34 3HB ALA 34 -2.335 -13.701 0.738 262 HA PRO 35 HA PRO 35 -8.417 -14.467 0.848 263 1HB PRO 35 1HB PRO 35 -8.981 -13.238 3.221 264 2HB PRO 35 2HB PRO 35 -8.762 -14.981 3.048 265 1HG PRO 35 1HG PRO 35 -6.840 -12.920 4.030 266 2HG PRO 35 2HG PRO 35 -7.137 -14.559 4.636 267 1HD PRO 35 1HD PRO 35 -5.015 -13.942 3.067 268 2HD PRO 35 2HD PRO 35 -5.803 -15.534 3.035 269 H ASP 36 H ASP 36 -6.405 -11.824 2.064 270 HA ASP 36 HA ASP 36 -7.416 -9.966 0.163 271 1HB ASP 36 1HB ASP 36 -9.148 -10.200 2.197 272 2HB ASP 36 2HB ASP 36 -8.025 -9.064 2.941 273 H GLY 37 H GLY 37 -6.561 -7.618 0.957 274 1HA GLY 37 1HA GLY 37 -4.602 -7.109 2.695 275 2HA GLY 37 2HA GLY 37 -3.742 -8.110 1.538 276 H VAL 38 H VAL 38 -2.571 -5.900 1.713 277 HA VAL 38 HA VAL 38 -3.421 -4.284 -0.578 278 HB VAL 38 HB VAL 38 -2.668 -2.215 0.644 279 1HG1 VAL 38 1HG1 VAL 38 -4.752 -1.930 1.897 280 2HG1 VAL 38 2HG1 VAL 38 -5.042 -3.668 1.815 281 3HG1 VAL 38 3HG1 VAL 38 -5.037 -2.702 0.337 282 1HG2 VAL 38 1HG2 VAL 38 -2.650 -2.278 3.100 283 2HG2 VAL 38 2HG2 VAL 38 -1.368 -3.271 2.406 284 3HG2 VAL 38 3HG2 VAL 38 -2.825 -4.032 3.049 285 H VAL 39 H VAL 39 -1.746 -3.366 -1.752 286 HA VAL 39 HA VAL 39 0.952 -4.302 -1.008 287 HB VAL 39 HB VAL 39 -0.124 -3.841 -3.798 288 1HG1 VAL 39 1HG1 VAL 39 2.516 -4.970 -2.863 289 2HG1 VAL 39 2HG1 VAL 39 2.268 -3.398 -3.622 290 3HG1 VAL 39 3HG1 VAL 39 1.975 -4.875 -4.540 291 1HG2 VAL 39 1HG2 VAL 39 -1.145 -5.805 -2.812 292 2HG2 VAL 39 2HG2 VAL 39 0.438 -6.414 -2.326 293 3HG2 VAL 39 3HG2 VAL 39 0.028 -6.289 -4.036 294 H LEU 40 H LEU 40 2.410 -2.764 -0.647 295 HA LEU 40 HA LEU 40 1.719 -0.010 -1.335 296 1HB LEU 40 1HB LEU 40 3.792 -1.180 0.517 297 2HB LEU 40 2HB LEU 40 3.750 0.524 0.107 298 HG LEU 40 HG LEU 40 1.384 0.561 1.022 299 1HD1 LEU 40 1HD1 LEU 40 2.224 -2.084 2.195 300 2HD1 LEU 40 2HD1 LEU 40 0.970 -1.848 0.977 301 3HD1 LEU 40 3HD1 LEU 40 0.764 -1.181 2.599 302 1HD2 LEU 40 1HD2 LEU 40 3.636 -0.087 2.916 303 2HD2 LEU 40 2HD2 LEU 40 2.136 0.742 3.336 304 3HD2 LEU 40 3HD2 LEU 40 3.281 1.497 2.226 305 H LEU 41 H LEU 41 2.685 1.085 -2.921 306 HA LEU 41 HA LEU 41 4.725 -0.262 -4.488 307 1HB LEU 41 1HB LEU 41 2.814 0.807 -5.608 308 2HB LEU 41 2HB LEU 41 3.281 2.356 -4.935 309 HG LEU 41 HG LEU 41 5.410 2.217 -6.220 310 1HD1 LEU 41 1HD1 LEU 41 4.090 -0.176 -7.495 311 2HD1 LEU 41 2HD1 LEU 41 5.530 -0.201 -6.477 312 3HD1 LEU 41 3HD1 LEU 41 5.575 0.604 -8.046 313 1HD2 LEU 41 1HD2 LEU 41 3.494 3.487 -7.046 314 2HD2 LEU 41 2HD2 LEU 41 2.882 2.043 -7.855 315 3HD2 LEU 41 3HD2 LEU 41 4.407 2.763 -8.370 316 H SER 42 H SER 42 6.816 0.316 -4.588 317 HA SER 42 HA SER 42 7.697 2.556 -2.921 318 1HB SER 42 1HB SER 42 9.211 0.187 -4.051 319 2HB SER 42 2HB SER 42 9.946 1.478 -3.101 320 HG SER 42 HG SER 42 8.844 -0.701 -2.184 321 H SER 43 H SER 43 10.272 2.651 -4.292 322 HA SER 43 HA SER 43 11.367 3.633 -6.009 323 1HB SER 43 1HB SER 43 8.768 3.288 -7.518 324 2HB SER 43 2HB SER 43 10.268 3.880 -8.230 325 HG SER 43 HG SER 43 10.570 1.821 -8.594 326 H ASP 44 H ASP 44 11.890 5.696 -6.318 327 HA ASP 44 HA ASP 44 9.869 7.720 -5.653 328 1HB ASP 44 1HB ASP 44 11.868 9.206 -5.191 329 2HB ASP 44 2HB ASP 44 11.660 7.855 -4.085 330 HA PRO 45 HA PRO 45 10.613 8.510 -10.037 331 1HB PRO 45 1HB PRO 45 8.036 8.597 -10.789 332 2HB PRO 45 2HB PRO 45 8.872 7.074 -10.462 333 1HG PRO 45 1HG PRO 45 6.803 8.455 -8.880 334 2HG PRO 45 2HG PRO 45 7.266 6.749 -8.878 335 1HD PRO 45 1HD PRO 45 8.055 8.819 -7.033 336 2HD PRO 45 2HD PRO 45 8.468 7.094 -6.996 337 H LYS 46 H LYS 46 8.767 10.430 -7.746 338 HA LYS 46 HA LYS 46 8.375 12.499 -9.775 339 1HB LYS 46 1HB LYS 46 6.419 11.674 -8.457 340 2HB LYS 46 2HB LYS 46 7.162 12.357 -7.021 341 1HG LYS 46 1HG LYS 46 6.935 14.572 -7.849 342 2HG LYS 46 2HG LYS 46 6.471 13.989 -9.449 343 1HD LYS 46 1HD LYS 46 4.439 12.988 -8.453 344 2HD LYS 46 2HD LYS 46 4.892 13.680 -6.895 345 1HE LYS 46 1HE LYS 46 4.480 15.328 -9.382 346 2HE LYS 46 2HE LYS 46 3.192 14.983 -8.230 347 1HZ LYS 46 1HZ LYS 46 4.301 16.173 -6.551 348 2HZ LYS 46 2HZ LYS 46 4.386 17.154 -7.927 349 3HZ LYS 46 3HZ LYS 46 5.742 16.265 -7.433 350 H ARG 47 H ARG 47 9.094 12.582 -6.253 351 HA ARG 47 HA ARG 47 11.453 14.069 -6.463 352 1HB ARG 47 1HB ARG 47 9.868 15.733 -7.499 353 2HB ARG 47 2HB ARG 47 9.069 15.849 -5.941 354 1HG ARG 47 1HG ARG 47 11.055 16.745 -4.927 355 2HG ARG 47 2HG ARG 47 11.970 16.495 -6.419 356 1HD ARG 47 1HD ARG 47 10.449 18.056 -7.574 357 2HD ARG 47 2HD ARG 47 9.610 18.338 -6.050 358 HE ARG 47 HE ARG 47 12.185 18.941 -5.460 359 1HH1 ARG 47 1HH1 ARG 47 10.003 19.964 -8.003 360 2HH1 ARG 47 2HH1 ARG 47 10.697 21.558 -8.130 361 1HH2 ARG 47 1HH2 ARG 47 13.121 21.001 -5.640 362 2HH2 ARG 47 2HH2 ARG 47 12.488 22.142 -6.798 363 H THR 48 H THR 48 8.593 13.239 -4.653 364 HA THR 48 HA THR 48 9.682 14.144 -2.124 365 HB THR 48 HB THR 48 7.244 12.409 -2.557 366 HG1 THR 48 HG1 THR 48 7.342 15.261 -2.405 367 1HG2 THR 48 1HG2 THR 48 6.501 13.443 -0.449 368 2HG2 THR 48 2HG2 THR 48 8.031 14.316 -0.346 369 3HG2 THR 48 3HG2 THR 48 8.009 12.554 -0.243 370 HA PRO 49 HA PRO 49 11.599 10.122 -1.542 371 1HB PRO 49 1HB PRO 49 13.551 10.949 0.079 372 2HB PRO 49 2HB PRO 49 13.546 11.374 -1.637 373 1HG PRO 49 1HG PRO 49 12.934 13.057 0.726 374 2HG PRO 49 2HG PRO 49 13.591 13.527 -0.850 375 1HD PRO 49 1HD PRO 49 10.885 13.701 0.044 376 2HD PRO 49 2HD PRO 49 11.519 14.091 -1.564 377 H GLU 50 H GLU 50 9.529 11.643 0.465 378 HA GLU 50 HA GLU 50 9.952 9.684 2.605 379 1HB GLU 50 1HB GLU 50 10.242 12.469 2.892 380 2HB GLU 50 2HB GLU 50 8.692 12.077 3.623 381 1HG GLU 50 1HG GLU 50 11.217 10.596 4.300 382 2HG GLU 50 2HG GLU 50 10.719 12.060 5.139 383 H VAL 51 H VAL 51 8.436 8.388 1.701 384 HA VAL 51 HA VAL 51 5.770 9.332 1.123 385 HB VAL 51 HB VAL 51 6.769 6.481 1.190 386 1HG1 VAL 51 1HG1 VAL 51 4.337 6.674 1.186 387 2HG1 VAL 51 2HG1 VAL 51 4.915 6.048 -0.359 388 3HG1 VAL 51 3HG1 VAL 51 4.414 7.732 -0.224 389 1HG2 VAL 51 1HG2 VAL 51 7.125 6.703 -1.226 390 2HG2 VAL 51 2HG2 VAL 51 8.165 7.797 -0.311 391 3HG2 VAL 51 3HG2 VAL 51 6.725 8.418 -1.124 392 H SER 52 H SER 52 7.453 7.922 3.798 393 HA SER 52 HA SER 52 5.173 6.734 5.012 394 1HB SER 52 1HB SER 52 8.015 7.225 5.841 395 2HB SER 52 2HB SER 52 6.839 6.494 6.906 396 HG SER 52 HG SER 52 6.879 5.355 4.436 397 H ASP 53 H ASP 53 7.319 9.415 5.899 398 HA ASP 53 HA ASP 53 7.115 11.179 7.300 399 1HB ASP 53 1HB ASP 53 5.245 11.808 5.821 400 2HB ASP 53 2HB ASP 53 4.147 10.868 6.823 401 H ASN 54 H ASN 54 4.183 9.363 8.143 402 HA ASN 54 HA ASN 54 5.453 8.339 10.549 403 1HB ASN 54 1HB ASN 54 4.408 10.509 11.236 404 2HB ASN 54 2HB ASN 54 2.848 9.879 10.715 405 1HD2 ASN 54 1HD2 ASN 54 1.942 9.982 12.744 406 2HD2 ASN 54 2HD2 ASN 54 2.408 8.924 14.032 407 HA PRO 55 HA PRO 55 2.807 5.477 8.157 408 1HB PRO 55 1HB PRO 55 4.414 3.337 8.228 409 2HB PRO 55 2HB PRO 55 4.768 4.726 7.194 410 1HG PRO 55 1HG PRO 55 5.938 3.992 9.848 411 2HG PRO 55 2HG PRO 55 6.750 4.613 8.399 412 1HD PRO 55 1HD PRO 55 6.044 6.159 10.557 413 2HD PRO 55 2HD PRO 55 6.261 6.781 8.911 414 H VAL 56 H VAL 56 2.173 5.964 10.884 415 HA VAL 56 HA VAL 56 1.908 3.278 12.029 416 HB VAL 56 HB VAL 56 1.264 5.956 13.274 417 1HG1 VAL 56 1HG1 VAL 56 1.127 4.729 15.380 418 2HG1 VAL 56 2HG1 VAL 56 1.414 3.214 14.526 419 3HG1 VAL 56 3HG1 VAL 56 -0.060 4.134 14.221 420 1HG2 VAL 56 1HG2 VAL 56 3.649 5.711 12.872 421 2HG2 VAL 56 2HG2 VAL 56 3.640 4.143 13.681 422 3HG2 VAL 56 3HG2 VAL 56 3.297 5.611 14.597 423 H MET 57 H MET 57 0.023 6.014 10.874 424 HA MET 57 HA MET 57 -2.484 5.174 11.843 425 1HB MET 57 1HB MET 57 -3.438 6.901 10.530 426 2HB MET 57 2HB MET 57 -1.887 7.495 11.101 427 1HG MET 57 1HG MET 57 -2.524 6.475 8.342 428 2HG MET 57 2HG MET 57 -2.235 8.145 8.818 429 1HE MET 57 1HE MET 57 -0.728 7.043 6.363 430 2HE MET 57 2HE MET 57 0.939 7.526 6.685 431 3HE MET 57 3HE MET 57 -0.390 8.630 7.048 432 H ILE 58 H ILE 58 -0.719 4.356 8.950 433 HA ILE 58 HA ILE 58 -2.792 3.300 7.399 434 HB ILE 58 HB ILE 58 0.090 2.400 7.570 435 1HG1 ILE 58 1HG1 ILE 58 -0.183 4.743 6.916 436 2HG1 ILE 58 2HG1 ILE 58 0.385 3.777 5.561 437 1HG2 ILE 58 1HG2 ILE 58 -0.276 1.416 5.344 438 2HG2 ILE 58 2HG2 ILE 58 -1.993 1.797 5.476 439 3HG2 ILE 58 3HG2 ILE 58 -1.259 0.642 6.588 440 1HD1 ILE 58 1HD1 ILE 58 -1.888 3.730 4.651 441 2HD1 ILE 58 2HD1 ILE 58 -1.289 5.378 4.847 442 3HD1 ILE 58 3HD1 ILE 58 -2.443 4.716 6.005 443 H GLY 59 H GLY 59 -0.818 1.824 9.937 444 1HA GLY 59 1HA GLY 59 -1.864 -0.799 9.649 445 2HA GLY 59 2HA GLY 59 -1.000 -0.178 11.049 446 H GLU 60 H GLU 60 -2.798 1.980 11.586 447 HA GLU 60 HA GLU 60 -4.733 0.559 13.135 448 1HB GLU 60 1HB GLU 60 -4.489 3.540 12.690 449 2HB GLU 60 2HB GLU 60 -5.324 2.733 14.009 450 1HG GLU 60 1HG GLU 60 -3.167 1.797 14.757 451 2HG GLU 60 2HG GLU 60 -2.363 2.721 13.492 452 H LEU 61 H LEU 61 -4.714 2.279 10.117 453 HA LEU 61 HA LEU 61 -7.476 2.677 9.769 454 1HB LEU 61 1HB LEU 61 -5.768 3.756 8.380 455 2HB LEU 61 2HB LEU 61 -5.318 2.201 7.707 456 HG LEU 61 HG LEU 61 -7.538 2.012 6.664 457 1HD1 LEU 61 1HD1 LEU 61 -7.977 4.778 7.781 458 2HD1 LEU 61 2HD1 LEU 61 -8.821 3.308 8.272 459 3HD1 LEU 61 3HD1 LEU 61 -9.035 3.947 6.641 460 1HD2 LEU 61 1HD2 LEU 61 -5.682 3.002 5.421 461 2HD2 LEU 61 2HD2 LEU 61 -6.112 4.597 6.042 462 3HD2 LEU 61 3HD2 LEU 61 -7.218 3.737 4.970 463 H LEU 62 H LEU 62 -5.357 0.018 8.759 464 HA LEU 62 HA LEU 62 -7.385 -1.550 7.577 465 1HB LEU 62 1HB LEU 62 -4.620 -2.108 8.575 466 2HB LEU 62 2HB LEU 62 -5.660 -3.450 8.146 467 HG LEU 62 HG LEU 62 -5.853 -2.605 5.861 468 1HD1 LEU 62 1HD1 LEU 62 -4.488 -0.738 5.084 469 2HD1 LEU 62 2HD1 LEU 62 -3.968 -0.422 6.741 470 3HD1 LEU 62 3HD1 LEU 62 -5.661 -0.216 6.293 471 1HD2 LEU 62 1HD2 LEU 62 -4.048 -4.144 6.414 472 2HD2 LEU 62 2HD2 LEU 62 -2.998 -2.783 6.807 473 3HD2 LEU 62 3HD2 LEU 62 -3.559 -3.014 5.151 474 H ARG 63 H ARG 63 -6.372 -1.101 10.854 475 HA ARG 63 HA ARG 63 -7.537 -3.484 11.895 476 1HB ARG 63 1HB ARG 63 -6.462 -0.984 13.161 477 2HB ARG 63 2HB ARG 63 -7.251 -2.232 14.120 478 1HG ARG 63 1HG ARG 63 -4.843 -2.644 12.360 479 2HG ARG 63 2HG ARG 63 -4.821 -2.482 14.119 480 1HD ARG 63 1HD ARG 63 -6.060 -4.501 14.395 481 2HD ARG 63 2HD ARG 63 -6.387 -4.607 12.668 482 HE ARG 63 HE ARG 63 -3.674 -4.677 12.810 483 1HH1 ARG 63 1HH1 ARG 63 -6.220 -6.501 14.369 484 2HH1 ARG 63 2HH1 ARG 63 -5.297 -7.967 14.455 485 1HH2 ARG 63 1HH2 ARG 63 -2.462 -6.597 12.881 486 2HH2 ARG 63 2HH2 ARG 63 -3.161 -8.042 13.567 487 H GLU 64 H GLU 64 -8.946 -0.650 10.760 488 HA GLU 64 HA GLU 64 -11.151 -0.377 12.462 489 1HB GLU 64 1HB GLU 64 -10.603 1.338 10.905 490 2HB GLU 64 2HB GLU 64 -10.608 0.214 9.557 491 1HG GLU 64 1HG GLU 64 -12.523 1.458 9.337 492 2HG GLU 64 2HG GLU 64 -13.052 -0.082 9.989 493 H PHE 65 H PHE 65 -10.413 -2.487 9.749 494 HA PHE 65 HA PHE 65 -12.782 -4.086 10.430 495 1HB PHE 65 1HB PHE 65 -13.146 -2.855 8.287 496 2HB PHE 65 2HB PHE 65 -11.725 -3.653 7.623 497 HD1 PHE 65 HD1 PHE 65 -15.056 -4.376 9.113 498 HD2 PHE 65 HD2 PHE 65 -11.938 -5.682 6.530 499 HE1 PHE 65 HE1 PHE 65 -16.464 -6.252 8.370 500 HE2 PHE 65 HE2 PHE 65 -13.339 -7.559 5.780 501 HZ PHE 65 HZ PHE 65 -15.608 -7.846 6.701 502 HA PRO 66 HA PRO 66 -9.001 -6.655 10.596 503 1HB PRO 66 1HB PRO 66 -9.201 -7.509 13.106 504 2HB PRO 66 2HB PRO 66 -8.682 -5.856 12.752 505 1HG PRO 66 1HG PRO 66 -11.328 -6.849 13.703 506 2HG PRO 66 2HG PRO 66 -10.470 -5.358 14.126 507 1HD PRO 66 1HD PRO 66 -12.536 -5.607 12.241 508 2HD PRO 66 2HD PRO 66 -11.441 -4.222 12.414 509 H ASP 67 H ASP 67 -12.180 -7.323 10.297 510 HA ASP 67 HA ASP 67 -12.305 -10.039 11.134 511 1HB ASP 67 1HB ASP 67 -14.309 -8.599 10.779 512 2HB ASP 67 2HB ASP 67 -14.003 -8.667 9.045 513 H TYR 68 H TYR 68 -11.175 -8.419 8.358 514 HA TYR 68 HA TYR 68 -10.551 -10.972 7.061 515 1HB TYR 68 1HB TYR 68 -11.151 -8.260 6.019 516 2HB TYR 68 2HB TYR 68 -9.862 -9.133 5.200 517 HD1 TYR 68 HD1 TYR 68 -10.394 -10.618 3.507 518 HD2 TYR 68 HD2 TYR 68 -13.385 -9.574 6.343 519 HE1 TYR 68 HE1 TYR 68 -12.054 -11.885 2.213 520 HE2 TYR 68 HE2 TYR 68 -15.054 -10.835 5.052 521 HH TYR 68 HH TYR 68 -14.189 -12.970 2.515 522 H THR 69 H THR 69 -8.518 -11.622 7.149 523 HA THR 69 HA THR 69 -6.513 -10.054 8.425 524 HB THR 69 HB THR 69 -4.971 -11.917 7.763 525 HG1 THR 69 HG1 THR 69 -6.271 -12.426 5.831 526 1HG2 THR 69 1HG2 THR 69 -6.206 -11.995 9.876 527 2HG2 THR 69 2HG2 THR 69 -6.020 -13.610 9.193 528 3HG2 THR 69 3HG2 THR 69 -7.564 -12.769 9.059 529 H TRP 70 H TRP 70 -5.701 -8.342 7.462 530 HA TRP 70 HA TRP 70 -5.519 -8.121 4.603 531 1HB TRP 70 1HB TRP 70 -4.539 -6.270 6.787 532 2HB TRP 70 2HB TRP 70 -4.568 -5.889 5.070 533 HD1 TRP 70 HD1 TRP 70 -6.853 -6.218 8.103 534 HE1 TRP 70 HE1 TRP 70 -9.143 -5.192 7.529 535 HE3 TRP 70 HE3 TRP 70 -6.134 -5.406 3.112 536 HZ2 TRP 70 HZ2 TRP 70 -10.463 -4.165 5.249 537 HZ3 TRP 70 HZ3 TRP 70 -7.952 -4.392 1.807 538 HH2 TRP 70 HH2 TRP 70 -10.073 -3.787 2.853 539 H GLN 71 H GLN 71 -3.975 -9.356 3.680 540 HA GLN 71 HA GLN 71 -1.392 -9.688 4.894 541 1HB GLN 71 1HB GLN 71 -2.759 -10.708 2.511 542 2HB GLN 71 2HB GLN 71 -1.051 -10.390 2.248 543 1HG GLN 71 1HG GLN 71 -1.192 -12.633 2.897 544 2HG GLN 71 2HG GLN 71 -0.596 -11.769 4.308 545 1HE2 GLN 71 1HE2 GLN 71 -1.890 -14.350 4.169 546 2HE2 GLN 71 2HE2 GLN 71 -3.314 -14.234 5.146 547 H VAL 72 H VAL 72 -0.217 -7.930 5.122 548 HA VAL 72 HA VAL 72 -0.256 -5.849 3.092 549 HB VAL 72 HB VAL 72 1.263 -5.856 5.704 550 1HG1 VAL 72 1HG1 VAL 72 1.292 -3.431 5.396 551 2HG1 VAL 72 2HG1 VAL 72 0.457 -3.619 3.852 552 3HG1 VAL 72 3HG1 VAL 72 2.088 -4.262 4.058 553 1HG2 VAL 72 1HG2 VAL 72 -1.083 -6.095 6.186 554 2HG2 VAL 72 2HG2 VAL 72 -1.479 -4.790 5.071 555 3HG2 VAL 72 3HG2 VAL 72 -0.580 -4.446 6.549 556 H ALA 73 H ALA 73 1.000 -6.228 1.408 557 HA ALA 73 HA ALA 73 3.672 -7.371 1.865 558 1HB ALA 73 1HB ALA 73 2.220 -8.678 0.379 559 2HB ALA 73 2HB ALA 73 3.630 -8.049 -0.474 560 3HB ALA 73 3HB ALA 73 2.056 -7.278 -0.681 561 H ILE 74 H ILE 74 5.370 -6.097 1.606 562 HA ILE 74 HA ILE 74 5.024 -3.605 0.074 563 HB ILE 74 HB ILE 74 7.003 -2.758 1.366 564 1HG1 ILE 74 1HG1 ILE 74 6.469 -5.201 3.079 565 2HG1 ILE 74 2HG1 ILE 74 7.903 -4.932 2.097 566 1HG2 ILE 74 1HG2 ILE 74 5.704 -2.248 3.396 567 2HG2 ILE 74 2HG2 ILE 74 4.534 -3.488 2.939 568 3HG2 ILE 74 3HG2 ILE 74 4.754 -2.064 1.921 569 1HD1 ILE 74 1HD1 ILE 74 7.045 -3.327 4.483 570 2HD1 ILE 74 2HD1 ILE 74 8.440 -2.967 3.466 571 3HD1 ILE 74 3HD1 ILE 74 8.391 -4.465 4.399 572 H ALA 75 H ALA 75 6.531 -3.077 -1.478 573 HA ALA 75 HA ALA 75 8.122 -5.370 -2.382 574 1HB ALA 75 1HB ALA 75 7.968 -4.412 -4.601 575 2HB ALA 75 2HB ALA 75 7.146 -2.992 -3.955 576 3HB ALA 75 3HB ALA 75 6.358 -4.569 -3.896 577 H ASP 76 H ASP 76 10.250 -5.182 -2.937 578 HA ASP 76 HA ASP 76 11.868 -3.194 -1.775 579 1HB ASP 76 1HB ASP 76 12.799 -5.363 -2.240 580 2HB ASP 76 2HB ASP 76 12.422 -5.217 -3.951 581 H LEU 77 H LEU 77 13.335 -1.761 -2.938 582 HA LEU 77 HA LEU 77 11.957 0.168 -4.391 583 1HB LEU 77 1HB LEU 77 13.986 0.619 -3.111 584 2HB LEU 77 2HB LEU 77 14.924 -0.356 -4.223 585 HG LEU 77 HG LEU 77 14.429 1.260 -6.019 586 1HD1 LEU 77 1HD1 LEU 77 13.167 2.871 -3.808 587 2HD1 LEU 77 2HD1 LEU 77 12.332 2.152 -5.185 588 3HD1 LEU 77 3HD1 LEU 77 13.500 3.449 -5.442 589 1HD2 LEU 77 1HD2 LEU 77 15.907 3.025 -5.193 590 2HD2 LEU 77 2HD2 LEU 77 16.493 1.422 -4.750 591 3HD2 LEU 77 3HD2 LEU 77 15.690 2.431 -3.546 592 H GLU 78 H GLU 78 14.290 -2.256 -5.546 593 HA GLU 78 HA GLU 78 14.143 -1.258 -8.228 594 1HB GLU 78 1HB GLU 78 15.442 -3.752 -7.142 595 2HB GLU 78 2HB GLU 78 15.687 -3.088 -8.753 596 1HG GLU 78 1HG GLU 78 16.566 -1.017 -7.703 597 2HG GLU 78 2HG GLU 78 16.441 -1.811 -6.135 598 H GLN 79 H GLN 79 12.623 -3.889 -6.461 599 HA GLN 79 HA GLN 79 11.702 -5.181 -8.857 600 1HB GLN 79 1HB GLN 79 10.513 -6.694 -7.460 601 2HB GLN 79 2HB GLN 79 12.067 -6.390 -6.698 602 1HG GLN 79 1HG GLN 79 11.113 -5.066 -5.026 603 2HG GLN 79 2HG GLN 79 9.603 -4.879 -5.918 604 1HE2 GLN 79 1HE2 GLN 79 11.508 -6.974 -3.908 605 2HE2 GLN 79 2HE2 GLN 79 10.245 -8.106 -3.562 606 H SER 80 H SER 80 10.560 -2.600 -6.859 607 HA SER 80 HA SER 80 7.816 -2.709 -7.489 608 1HB SER 80 1HB SER 80 9.567 -0.336 -6.800 609 2HB SER 80 2HB SER 80 7.808 -0.271 -6.911 610 HG SER 80 HG SER 80 9.393 -1.774 -5.102 611 H GLU 81 H GLU 81 10.599 -1.512 -9.179 612 HA GLU 81 HA GLU 81 9.459 -0.074 -11.249 613 1HB GLU 81 1HB GLU 81 11.784 -2.003 -11.385 614 2HB GLU 81 2HB GLU 81 11.439 -0.730 -12.540 615 1HG GLU 81 1HG GLU 81 12.022 -0.217 -9.641 616 2HG GLU 81 2HG GLU 81 13.258 -0.233 -10.898 617 H ALA 82 H ALA 82 9.934 -3.550 -10.885 618 HA ALA 82 HA ALA 82 8.864 -4.179 -13.472 619 1HB ALA 82 1HB ALA 82 10.584 -5.571 -12.408 620 2HB ALA 82 2HB ALA 82 9.140 -6.497 -12.823 621 3HB ALA 82 3HB ALA 82 9.431 -6.017 -11.150 622 H ILE 83 H ILE 83 7.642 -4.156 -10.164 623 HA ILE 83 HA ILE 83 5.247 -5.573 -10.713 624 HB ILE 83 HB ILE 83 5.919 -3.653 -8.481 625 1HG1 ILE 83 1HG1 ILE 83 5.702 -6.671 -8.603 626 2HG1 ILE 83 2HG1 ILE 83 7.189 -5.745 -8.469 627 1HG2 ILE 83 1HG2 ILE 83 3.908 -4.515 -7.336 628 2HG2 ILE 83 2HG2 ILE 83 3.461 -5.372 -8.810 629 3HG2 ILE 83 3HG2 ILE 83 3.519 -3.611 -8.797 630 1HD1 ILE 83 1HD1 ILE 83 5.005 -5.905 -6.412 631 2HD1 ILE 83 2HD1 ILE 83 6.462 -4.923 -6.277 632 3HD1 ILE 83 3HD1 ILE 83 6.586 -6.683 -6.334 633 H GLY 84 H GLY 84 5.949 -2.094 -10.472 634 1HA GLY 84 1HA GLY 84 3.348 -1.227 -11.164 635 2HA GLY 84 2HA GLY 84 4.821 -0.275 -11.321 636 H ASP 85 H ASP 85 6.216 -1.901 -13.070 637 HA ASP 85 HA ASP 85 5.339 -1.014 -15.564 638 1HB ASP 85 1HB ASP 85 7.669 -1.695 -14.919 639 2HB ASP 85 2HB ASP 85 7.154 -3.370 -15.025 640 H ARG 86 H ARG 86 4.892 -4.110 -13.938 641 HA ARG 86 HA ARG 86 3.738 -5.429 -16.166 642 1HB ARG 86 1HB ARG 86 4.789 -6.643 -14.289 643 2HB ARG 86 2HB ARG 86 3.489 -6.113 -13.232 644 1HG ARG 86 1HG ARG 86 1.873 -7.329 -14.596 645 2HG ARG 86 2HG ARG 86 3.170 -7.856 -15.666 646 1HD ARG 86 1HD ARG 86 4.223 -9.029 -13.773 647 2HD ARG 86 2HD ARG 86 2.878 -8.535 -12.741 648 HE ARG 86 HE ARG 86 1.843 -9.840 -15.000 649 1HH1 ARG 86 1HH1 ARG 86 3.694 -10.598 -12.107 650 2HH1 ARG 86 2HH1 ARG 86 3.146 -12.244 -12.047 651 1HH2 ARG 86 1HH2 ARG 86 1.128 -11.999 -14.904 652 2HH2 ARG 86 2HH2 ARG 86 1.668 -13.032 -13.611 653 H PHE 87 H PHE 87 2.428 -3.410 -13.640 654 HA PHE 87 HA PHE 87 -0.296 -4.274 -14.230 655 1HB PHE 87 1HB PHE 87 0.619 -3.826 -11.871 656 2HB PHE 87 2HB PHE 87 0.495 -2.119 -12.272 657 HD1 PHE 87 HD1 PHE 87 -1.604 -0.998 -12.230 658 HD2 PHE 87 HD2 PHE 87 -1.418 -5.231 -11.810 659 HE1 PHE 87 HE1 PHE 87 -3.974 -1.033 -11.554 660 HE2 PHE 87 HE2 PHE 87 -3.782 -5.274 -11.130 661 HZ PHE 87 HZ PHE 87 -5.067 -3.175 -11.002 662 H GLY 88 H GLY 88 1.852 -1.603 -14.802 663 1HA GLY 88 1HA GLY 88 1.465 -0.155 -16.689 664 2HA GLY 88 2HA GLY 88 -0.263 -0.316 -16.404 665 H VAL 89 H VAL 89 2.028 0.207 -13.825 666 HA VAL 89 HA VAL 89 1.059 2.980 -13.540 667 HB VAL 89 HB VAL 89 1.622 1.043 -11.282 668 1HG1 VAL 89 1HG1 VAL 89 0.577 3.871 -11.224 669 2HG1 VAL 89 2HG1 VAL 89 2.188 3.350 -10.726 670 3HG1 VAL 89 3HG1 VAL 89 0.768 2.810 -9.828 671 1HG2 VAL 89 1HG2 VAL 89 -0.995 2.140 -12.309 672 2HG2 VAL 89 2HG2 VAL 89 -0.801 1.211 -10.823 673 3HG2 VAL 89 3HG2 VAL 89 -0.455 0.463 -12.381 674 H PHE 90 H PHE 90 2.672 4.413 -13.601 675 HA PHE 90 HA PHE 90 5.314 3.622 -12.595 676 1HB PHE 90 1HB PHE 90 6.353 4.822 -14.555 677 2HB PHE 90 2HB PHE 90 5.534 3.318 -14.959 678 HD1 PHE 90 HD1 PHE 90 5.345 6.990 -15.155 679 HD2 PHE 90 HD2 PHE 90 3.631 3.286 -16.383 680 HE1 PHE 90 HE1 PHE 90 4.022 8.167 -16.864 681 HE2 PHE 90 HE2 PHE 90 2.308 4.461 -18.086 682 HZ PHE 90 HZ PHE 90 2.502 6.903 -18.331 683 H ARG 91 H ARG 91 2.986 5.405 -11.788 684 HA ARG 91 HA ARG 91 4.361 7.985 -11.693 685 1HB ARG 91 1HB ARG 91 1.497 7.163 -11.286 686 2HB ARG 91 2HB ARG 91 2.079 8.722 -10.715 687 1HG ARG 91 1HG ARG 91 2.733 9.340 -12.959 688 2HG ARG 91 2HG ARG 91 2.263 7.748 -13.556 689 1HD ARG 91 1HD ARG 91 0.342 9.626 -12.202 690 2HD ARG 91 2HD ARG 91 0.611 9.619 -13.944 691 HE ARG 91 HE ARG 91 0.041 7.008 -13.235 692 1HH1 ARG 91 1HH1 ARG 91 -1.573 10.111 -13.090 693 2HH1 ARG 91 2HH1 ARG 91 -3.165 9.449 -13.280 694 1HH2 ARG 91 1HH2 ARG 91 -2.058 6.116 -13.517 695 2HH2 ARG 91 2HH2 ARG 91 -3.441 7.176 -13.536 696 H PHE 92 H PHE 92 3.143 8.996 -9.392 697 HA PHE 92 HA PHE 92 5.050 8.397 -7.497 698 1HB PHE 92 1HB PHE 92 3.733 9.702 -5.926 699 2HB PHE 92 2HB PHE 92 3.706 10.467 -7.510 700 HD1 PHE 92 HD1 PHE 92 1.645 10.169 -8.951 701 HD2 PHE 92 HD2 PHE 92 1.753 9.112 -4.830 702 HE1 PHE 92 HE1 PHE 92 -0.815 10.224 -8.873 703 HE2 PHE 92 HE2 PHE 92 -0.705 9.163 -4.744 704 HZ PHE 92 HZ PHE 92 -1.992 9.721 -6.770 705 HA PRO 93 HA PRO 93 3.901 4.612 -5.550 706 1HB PRO 93 1HB PRO 93 5.019 5.050 -3.104 707 2HB PRO 93 2HB PRO 93 5.958 4.632 -4.543 708 1HG PRO 93 1HG PRO 93 5.473 7.318 -3.311 709 2HG PRO 93 2HG PRO 93 6.980 6.636 -3.952 710 1HD PRO 93 1HD PRO 93 5.494 8.380 -5.360 711 2HD PRO 93 2HD PRO 93 6.381 7.057 -6.145 712 H ALA 94 H ALA 94 2.257 3.838 -4.403 713 HA ALA 94 HA ALA 94 1.044 5.296 -2.237 714 1HB ALA 94 1HB ALA 94 -1.182 5.407 -3.231 715 2HB ALA 94 2HB ALA 94 -0.549 4.766 -4.747 716 3HB ALA 94 3HB ALA 94 -0.029 6.351 -4.173 717 H THR 95 H THR 95 -1.168 3.953 -1.734 718 HA THR 95 HA THR 95 -0.234 1.179 -1.529 719 HB THR 95 HB THR 95 -2.493 2.517 -0.026 720 HG1 THR 95 HG1 THR 95 0.167 2.767 0.248 721 1HG2 THR 95 1HG2 THR 95 -2.653 0.069 -0.126 722 2HG2 THR 95 2HG2 THR 95 -2.274 0.622 1.505 723 3HG2 THR 95 3HG2 THR 95 -1.007 -0.063 0.491 724 H LEU 96 H LEU 96 -1.062 -0.276 -2.866 725 HA LEU 96 HA LEU 96 -3.584 0.285 -4.238 726 1HB LEU 96 1HB LEU 96 -1.503 -1.867 -4.665 727 2HB LEU 96 2HB LEU 96 -2.966 -1.700 -5.616 728 HG LEU 96 HG LEU 96 -0.758 0.355 -5.456 729 1HD1 LEU 96 1HD1 LEU 96 -0.225 -0.330 -7.735 730 2HD1 LEU 96 2HD1 LEU 96 -1.458 -1.589 -7.654 731 3HD1 LEU 96 3HD1 LEU 96 -0.042 -1.674 -6.608 732 1HD2 LEU 96 1HD2 LEU 96 -1.938 1.410 -7.332 733 2HD2 LEU 96 2HD2 LEU 96 -2.934 1.357 -5.875 734 3HD2 LEU 96 3HD2 LEU 96 -3.228 0.213 -7.186 735 H VAL 97 H VAL 97 -5.414 -0.523 -3.449 736 HA VAL 97 HA VAL 97 -5.228 -2.725 -1.525 737 HB VAL 97 HB VAL 97 -6.296 -0.759 -0.618 738 1HG1 VAL 97 1HG1 VAL 97 -8.285 -0.977 -2.872 739 2HG1 VAL 97 2HG1 VAL 97 -7.060 0.277 -2.686 740 3HG1 VAL 97 3HG1 VAL 97 -8.374 0.150 -1.520 741 1HG2 VAL 97 1HG2 VAL 97 -8.324 -2.918 -1.183 742 2HG2 VAL 97 2HG2 VAL 97 -8.437 -1.707 0.095 743 3HG2 VAL 97 3HG2 VAL 97 -7.147 -2.909 0.130 744 H PHE 98 H PHE 98 -5.873 -4.682 -2.048 745 HA PHE 98 HA PHE 98 -7.796 -4.997 -4.257 746 1HB PHE 98 1HB PHE 98 -5.614 -6.954 -3.548 747 2HB PHE 98 2HB PHE 98 -6.692 -7.030 -4.929 748 HD1 PHE 98 HD1 PHE 98 -6.381 -5.513 -6.832 749 HD2 PHE 98 HD2 PHE 98 -3.642 -5.601 -3.578 750 HE1 PHE 98 HE1 PHE 98 -4.709 -4.345 -8.211 751 HE2 PHE 98 HE2 PHE 98 -1.968 -4.436 -4.947 752 HZ PHE 98 HZ PHE 98 -2.497 -3.810 -7.268 753 H THR 99 H THR 99 -9.624 -5.835 -3.550 754 HA THR 99 HA THR 99 -9.635 -7.334 -1.036 755 HB THR 99 HB THR 99 -12.108 -7.148 -1.165 756 HG1 THR 99 HG1 THR 99 -11.937 -6.878 -3.593 757 1HG2 THR 99 1HG2 THR 99 -10.825 -5.433 0.037 758 2HG2 THR 99 2HG2 THR 99 -12.253 -4.739 -0.732 759 3HG2 THR 99 3HG2 THR 99 -10.662 -4.510 -1.457 760 H GLY 100 H GLY 100 -9.786 -9.471 -1.018 761 1HA GLY 100 1HA GLY 100 -9.864 -11.630 -1.817 762 2HA GLY 100 2HA GLY 100 -11.138 -11.072 -2.894 763 H GLY 101 H GLY 101 -8.172 -9.403 -3.174 764 1HA GLY 101 1HA GLY 101 -6.324 -9.812 -4.589 765 2HA GLY 101 2HA GLY 101 -7.205 -11.149 -5.312 766 H ASN 102 H ASN 102 -9.368 -8.675 -5.153 767 HA ASN 102 HA ASN 102 -8.812 -7.973 -7.950 768 1HB ASN 102 1HB ASN 102 -11.354 -8.034 -6.364 769 2HB ASN 102 2HB ASN 102 -11.245 -7.140 -7.876 770 1HD2 ASN 102 1HD2 ASN 102 -10.868 -10.282 -6.426 771 2HD2 ASN 102 2HD2 ASN 102 -11.227 -11.208 -7.839 772 H TYR 103 H TYR 103 -8.765 -5.951 -8.665 773 HA TYR 103 HA TYR 103 -7.709 -4.030 -6.839 774 1HB TYR 103 1HB TYR 103 -6.845 -4.201 -9.104 775 2HB TYR 103 2HB TYR 103 -8.427 -3.819 -9.770 776 HD1 TYR 103 HD1 TYR 103 -5.711 -2.392 -7.657 777 HD2 TYR 103 HD2 TYR 103 -8.983 -1.606 -10.257 778 HE1 TYR 103 HE1 TYR 103 -5.105 -0.008 -7.687 779 HE2 TYR 103 HE2 TYR 103 -8.391 0.780 -10.293 780 HH TYR 103 HH TYR 103 -7.179 2.400 -8.935 781 H ARG 104 H ARG 104 -8.847 -2.736 -5.577 782 HA ARG 104 HA ARG 104 -11.559 -1.950 -6.370 783 1HB ARG 104 1HB ARG 104 -10.068 -1.748 -3.754 784 2HB ARG 104 2HB ARG 104 -11.634 -0.997 -4.016 785 1HG ARG 104 1HG ARG 104 -11.079 -3.942 -4.285 786 2HG ARG 104 2HG ARG 104 -11.759 -3.169 -2.853 787 1HD ARG 104 1HD ARG 104 -13.638 -2.344 -4.270 788 2HD ARG 104 2HD ARG 104 -12.980 -3.280 -5.611 789 HE ARG 104 HE ARG 104 -13.301 -4.985 -3.408 790 1HH1 ARG 104 1HH1 ARG 104 -15.250 -3.203 -5.709 791 2HH1 ARG 104 2HH1 ARG 104 -16.608 -4.282 -5.593 792 1HH2 ARG 104 1HH2 ARG 104 -15.093 -6.384 -3.219 793 2HH2 ARG 104 2HH2 ARG 104 -16.521 -6.082 -4.164 794 H GLY 105 H GLY 105 -8.504 -0.509 -5.272 795 1HA GLY 105 1HA GLY 105 -8.580 1.652 -7.033 796 2HA GLY 105 2HA GLY 105 -9.327 2.173 -5.528 797 H VAL 106 H VAL 106 -7.484 3.693 -5.570 798 HA VAL 106 HA VAL 106 -5.087 2.442 -4.424 799 HB VAL 106 HB VAL 106 -4.563 3.227 -6.666 800 1HG1 VAL 106 1HG1 VAL 106 -5.492 5.938 -5.729 801 2HG1 VAL 106 2HG1 VAL 106 -6.272 4.923 -6.940 802 3HG1 VAL 106 3HG1 VAL 106 -4.678 5.606 -7.259 803 1HG2 VAL 106 1HG2 VAL 106 -3.370 5.005 -4.540 804 2HG2 VAL 106 2HG2 VAL 106 -2.681 4.710 -6.137 805 3HG2 VAL 106 3HG2 VAL 106 -2.821 3.386 -4.980 806 H LEU 107 H LEU 107 -4.354 3.262 -2.556 807 HA LEU 107 HA LEU 107 -5.903 5.432 -1.343 808 1HB LEU 107 1HB LEU 107 -4.027 3.383 -0.177 809 2HB LEU 107 2HB LEU 107 -4.737 4.684 0.756 810 HG LEU 107 HG LEU 107 -6.341 2.567 -0.678 811 1HD1 LEU 107 1HD1 LEU 107 -4.991 1.571 1.092 812 2HD1 LEU 107 2HD1 LEU 107 -6.694 1.606 1.546 813 3HD1 LEU 107 3HD1 LEU 107 -5.574 2.782 2.232 814 1HD2 LEU 107 1HD2 LEU 107 -8.174 3.406 0.701 815 2HD2 LEU 107 2HD2 LEU 107 -7.515 4.685 -0.318 816 3HD2 LEU 107 3HD2 LEU 107 -7.104 4.623 1.396 817 H ASN 108 H ASN 108 -5.095 7.405 -1.384 818 HA ASN 108 HA ASN 108 -2.237 7.750 -0.897 819 1HB ASN 108 1HB ASN 108 -2.064 9.506 -2.602 820 2HB ASN 108 2HB ASN 108 -2.513 7.968 -3.325 821 1HD2 ASN 108 1HD2 ASN 108 -3.426 11.222 -2.759 822 2HD2 ASN 108 2HD2 ASN 108 -4.901 11.199 -3.665 823 H GLY 109 H GLY 109 -1.820 9.221 0.590 824 1HA GLY 109 1HA GLY 109 -2.725 11.573 1.337 825 2HA GLY 109 2HA GLY 109 -4.102 10.582 1.816 826 H ILE 110 H ILE 110 -1.676 12.095 3.193 827 HA ILE 110 HA ILE 110 -0.669 9.794 4.723 828 HB ILE 110 HB ILE 110 0.590 12.520 4.411 829 1HG1 ILE 110 1HG1 ILE 110 0.630 11.306 2.293 830 2HG1 ILE 110 2HG1 ILE 110 2.247 11.361 2.987 831 1HG2 ILE 110 1HG2 ILE 110 1.659 9.988 5.653 832 2HG2 ILE 110 2HG2 ILE 110 1.180 11.451 6.514 833 3HG2 ILE 110 3HG2 ILE 110 2.567 11.483 5.424 834 1HD1 ILE 110 1HD1 ILE 110 0.362 9.014 3.086 835 2HD1 ILE 110 2HD1 ILE 110 1.983 9.067 3.775 836 3HD1 ILE 110 3HD1 ILE 110 1.764 9.183 2.029 837 H HIS 111 H HIS 111 -1.938 13.095 5.103 838 HA HIS 111 HA HIS 111 -1.581 12.777 7.981 839 1HB HIS 111 1HB HIS 111 -1.861 15.223 6.272 840 2HB HIS 111 2HB HIS 111 -2.071 15.294 8.020 841 HD1 HIS 111 HD1 HIS 111 0.303 16.750 6.614 842 HD2 HIS 111 HD2 HIS 111 0.497 12.954 8.309 843 HE1 HIS 111 HE1 HIS 111 2.738 16.345 7.106 844 HE2 HIS 111 HE2 HIS 111 2.836 14.042 8.140 845 HA PRO 112 HA PRO 112 -6.170 14.205 7.929 846 1HB PRO 112 1HB PRO 112 -7.186 13.319 5.322 847 2HB PRO 112 2HB PRO 112 -7.446 14.847 6.162 848 1HG PRO 112 1HG PRO 112 -5.895 14.676 3.965 849 2HG PRO 112 2HG PRO 112 -5.548 15.813 5.281 850 1HD PRO 112 1HD PRO 112 -4.256 13.194 4.648 851 2HD PRO 112 2HD PRO 112 -3.523 14.701 5.231 852 H TRP 113 H TRP 113 -7.096 12.751 9.164 853 HA TRP 113 HA TRP 113 -6.722 9.916 8.529 854 1HB TRP 113 1HB TRP 113 -5.782 10.558 10.629 855 2HB TRP 113 2HB TRP 113 -7.249 11.398 11.106 856 HD1 TRP 113 HD1 TRP 113 -8.434 10.121 12.949 857 HE1 TRP 113 HE1 TRP 113 -8.874 7.651 13.520 858 HE3 TRP 113 HE3 TRP 113 -5.909 7.934 9.077 859 HZ2 TRP 113 HZ2 TRP 113 -8.232 5.119 12.467 860 HZ3 TRP 113 HZ3 TRP 113 -5.881 5.480 8.931 861 HH2 TRP 113 HH2 TRP 113 -7.022 4.105 10.590 862 H ALA 114 H ALA 114 -9.204 12.258 9.398 863 HA ALA 114 HA ALA 114 -11.361 10.487 9.666 864 1HB ALA 114 1HB ALA 114 -11.476 12.828 10.345 865 2HB ALA 114 2HB ALA 114 -12.782 12.432 9.230 866 3HB ALA 114 3HB ALA 114 -11.378 13.333 8.659 867 H GLU 115 H GLU 115 -10.013 12.111 6.838 868 HA GLU 115 HA GLU 115 -11.884 10.854 5.057 869 1HB GLU 115 1HB GLU 115 -9.490 12.617 4.657 870 2HB GLU 115 2HB GLU 115 -10.323 11.867 3.301 871 1HG GLU 115 1HG GLU 115 -12.342 13.011 3.801 872 2HG GLU 115 2HG GLU 115 -11.711 13.573 5.348 873 H LEU 116 H LEU 116 -8.616 10.199 6.190 874 HA LEU 116 HA LEU 116 -7.881 8.246 4.352 875 1HB LEU 116 1HB LEU 116 -7.180 8.923 7.110 876 2HB LEU 116 2HB LEU 116 -6.964 7.228 6.737 877 HG LEU 116 HG LEU 116 -5.700 9.541 5.260 878 1HD1 LEU 116 1HD1 LEU 116 -4.506 7.486 7.110 879 2HD1 LEU 116 2HD1 LEU 116 -4.720 9.203 7.451 880 3HD1 LEU 116 3HD1 LEU 116 -3.605 8.687 6.189 881 1HD2 LEU 116 1HD2 LEU 116 -4.436 7.818 4.060 882 2HD2 LEU 116 2HD2 LEU 116 -6.168 7.688 3.756 883 3HD2 LEU 116 3HD2 LEU 116 -5.383 6.569 4.867 884 H ILE 117 H ILE 117 -9.862 7.929 7.287 885 HA ILE 117 HA ILE 117 -10.399 5.167 7.008 886 HB ILE 117 HB ILE 117 -12.161 7.270 8.296 887 1HG1 ILE 117 1HG1 ILE 117 -10.030 5.514 9.536 888 2HG1 ILE 117 2HG1 ILE 117 -9.856 7.236 9.208 889 1HG2 ILE 117 1HG2 ILE 117 -12.046 4.281 8.699 890 2HG2 ILE 117 2HG2 ILE 117 -13.326 5.167 7.865 891 3HG2 ILE 117 3HG2 ILE 117 -13.069 5.406 9.596 892 1HD1 ILE 117 1HD1 ILE 117 -11.680 7.703 10.769 893 2HD1 ILE 117 2HD1 ILE 117 -10.351 6.836 11.544 894 3HD1 ILE 117 3HD1 ILE 117 -11.827 5.979 11.103 895 H ASN 118 H ASN 118 -12.062 8.063 5.872 896 HA ASN 118 HA ASN 118 -14.378 6.936 4.811 897 1HB ASN 118 1HB ASN 118 -13.813 9.394 5.088 898 2HB ASN 118 2HB ASN 118 -12.879 9.277 3.616 899 1HD2 ASN 118 1HD2 ASN 118 -15.030 10.984 4.027 900 2HD2 ASN 118 2HD2 ASN 118 -16.291 10.539 2.923 901 H LEU 119 H LEU 119 -11.395 7.812 3.102 902 HA LEU 119 HA LEU 119 -12.056 6.782 0.610 903 1HB LEU 119 1HB LEU 119 -9.332 6.982 1.885 904 2HB LEU 119 2HB LEU 119 -9.632 6.748 0.176 905 HG LEU 119 HG LEU 119 -10.448 9.179 1.766 906 1HD1 LEU 119 1HD1 LEU 119 -8.706 10.336 0.514 907 2HD1 LEU 119 2HD1 LEU 119 -8.240 8.819 -0.255 908 3HD1 LEU 119 3HD1 LEU 119 -8.029 9.027 1.483 909 1HD2 LEU 119 1HD2 LEU 119 -11.966 8.709 -0.088 910 2HD2 LEU 119 2HD2 LEU 119 -10.598 8.622 -1.195 911 3HD2 LEU 119 3HD2 LEU 119 -10.999 10.149 -0.409 912 H MET 120 H MET 120 -10.474 5.178 3.342 913 HA MET 120 HA MET 120 -9.889 2.735 2.073 914 1HB MET 120 1HB MET 120 -9.043 3.454 4.311 915 2HB MET 120 2HB MET 120 -10.645 3.157 4.971 916 1HG MET 120 1HG MET 120 -9.173 1.300 5.444 917 2HG MET 120 2HG MET 120 -10.461 0.799 4.346 918 1HE MET 120 1HE MET 120 -7.367 -1.352 3.219 919 2HE MET 120 2HE MET 120 -9.040 -1.400 3.777 920 3HE MET 120 3HE MET 120 -7.763 -0.851 4.863 921 H ARG 121 H ARG 121 -12.738 3.712 3.970 922 HA ARG 121 HA ARG 121 -14.075 1.230 3.638 923 1HB ARG 121 1HB ARG 121 -14.500 3.431 5.195 924 2HB ARG 121 2HB ARG 121 -15.775 3.607 3.994 925 1HG ARG 121 1HG ARG 121 -16.416 1.218 4.506 926 2HG ARG 121 2HG ARG 121 -15.316 1.313 5.883 927 1HD ARG 121 1HD ARG 121 -17.403 1.842 6.789 928 2HD ARG 121 2HD ARG 121 -16.638 3.412 6.540 929 HE ARG 121 HE ARG 121 -18.512 2.295 4.553 930 1HH1 ARG 121 1HH1 ARG 121 -17.601 4.829 6.797 931 2HH1 ARG 121 2HH1 ARG 121 -18.819 5.942 6.247 932 1HH2 ARG 121 1HH2 ARG 121 -20.130 3.746 3.837 933 2HH2 ARG 121 2HH2 ARG 121 -20.278 5.307 4.590 934 H GLY 122 H GLY 122 -14.031 4.240 1.832 935 1HA GLY 122 1HA GLY 122 -16.183 3.744 0.093 936 2HA GLY 122 2HA GLY 122 -14.816 4.794 -0.247 937 H LEU 123 H LEU 123 -12.897 2.565 0.074 938 HA LEU 123 HA LEU 123 -13.186 1.551 -2.637 939 1HB LEU 123 1HB LEU 123 -10.884 1.465 -0.691 940 2HB LEU 123 2HB LEU 123 -10.838 0.761 -2.296 941 HG LEU 123 HG LEU 123 -11.189 3.692 -1.661 942 1HD1 LEU 123 1HD1 LEU 123 -8.876 2.195 -2.878 943 2HD1 LEU 123 2HD1 LEU 123 -8.925 2.885 -1.257 944 3HD1 LEU 123 3HD1 LEU 123 -8.985 3.941 -2.668 945 1HD2 LEU 123 1HD2 LEU 123 -12.419 3.034 -3.674 946 2HD2 LEU 123 2HD2 LEU 123 -10.953 2.295 -4.325 947 3HD2 LEU 123 3HD2 LEU 123 -11.022 4.039 -4.068 948 H VAL 124 H VAL 124 -12.727 0.260 0.655 949 HA VAL 124 HA VAL 124 -12.748 -2.451 -0.313 950 HB VAL 124 HB VAL 124 -12.607 -3.151 1.998 951 1HG1 VAL 124 1HG1 VAL 124 -10.561 -2.437 0.927 952 2HG1 VAL 124 2HG1 VAL 124 -10.534 -1.985 2.634 953 3HG1 VAL 124 3HG1 VAL 124 -10.865 -0.766 1.404 954 1HG2 VAL 124 1HG2 VAL 124 -12.617 -1.546 3.847 955 2HG2 VAL 124 2HG2 VAL 124 -14.169 -1.571 3.007 956 3HG2 VAL 124 3HG2 VAL 124 -13.032 -0.253 2.721 957 H GLU 125 H GLU 125 -15.160 -0.261 0.922 958 HA GLU 125 HA GLU 125 -17.123 -2.449 0.891 959 1HB GLU 125 1HB GLU 125 -16.928 -1.378 3.067 960 2HB GLU 125 2HB GLU 125 -17.176 0.202 2.340 961 1HG GLU 125 1HG GLU 125 -19.440 -0.377 1.748 962 2HG GLU 125 2HG GLU 125 -19.207 -2.016 2.354 963 HA PRO 126 HA PRO 126 -18.468 -0.169 -2.811 964 1HB PRO 126 1HB PRO 126 -20.020 -2.629 -3.217 965 2HB PRO 126 2HB PRO 126 -18.844 -1.860 -4.288 966 1HG PRO 126 1HG PRO 126 -18.283 -4.152 -3.036 967 2HG PRO 126 2HG PRO 126 -17.048 -2.903 -3.283 968 1HD PRO 126 1HD PRO 126 -18.649 -3.513 -0.814 969 2HD PRO 126 2HD PRO 126 -16.907 -3.193 -0.971 970 H GLN 127 H GLN 127 -19.765 1.305 -1.891 971 HA GLN 127 HA GLN 127 -22.305 0.426 -0.724 972 1HB GLN 127 1HB GLN 127 -20.807 1.828 0.623 973 2HB GLN 127 2HB GLN 127 -20.985 3.111 -0.556 974 1HG GLN 127 1HG GLN 127 -23.319 3.325 -0.048 975 2HG GLN 127 2HG GLN 127 -23.255 1.914 1.010 976 1HE2 GLN 127 1HE2 GLN 127 -24.033 4.688 1.575 977 2HE2 GLN 127 2HE2 GLN 127 -23.016 5.203 2.872 978 H GLN 128 H GLN 128 -23.098 0.010 -2.679 979 HA GLN 128 HA GLN 128 -23.606 2.180 -4.544 980 1HB GLN 128 1HB GLN 128 -24.348 -0.740 -4.803 981 2HB GLN 128 2HB GLN 128 -24.448 0.479 -6.066 982 1HG GLN 128 1HG GLN 128 -22.008 0.750 -5.968 983 2HG GLN 128 2HG GLN 128 -21.936 -0.528 -4.757 984 1HE2 GLN 128 1HE2 GLN 128 -22.417 -2.657 -5.364 985 2HE2 GLN 128 2HE2 GLN 128 -22.348 -3.152 -7.026 986 H GLU 129 H GLU 129 -24.929 3.161 -2.793 987 HA GLU 129 HA GLU 129 -27.636 2.023 -2.636 988 1HB GLU 129 1HB GLU 129 -26.294 4.119 -0.910 989 2HB GLU 129 2HB GLU 129 -27.933 3.523 -0.688 990 1HG GLU 129 1HG GLU 129 -25.486 1.781 -0.548 991 2HG GLU 129 2HG GLU 129 -26.228 2.554 0.851 992 H ARG 130 H ARG 130 -29.364 3.826 -2.448 993 HA ARG 130 HA ARG 130 -29.109 5.519 -4.751 994 1HB ARG 130 1HB ARG 130 -31.292 5.032 -2.760 995 2HB ARG 130 2HB ARG 130 -31.394 6.384 -3.879 996 1HG ARG 130 1HG ARG 130 -31.010 4.664 -5.726 997 2HG ARG 130 2HG ARG 130 -31.364 3.449 -4.493 998 1HD ARG 130 1HD ARG 130 -33.331 4.182 -5.890 999 2HD ARG 130 2HD ARG 130 -33.547 4.313 -4.143 1000 HE ARG 130 HE ARG 130 -33.430 6.648 -4.310 1001 1HH1 ARG 130 1HH1 ARG 130 -33.133 5.091 -7.432 1002 2HH1 ARG 130 2HH1 ARG 130 -33.379 6.556 -8.331 1003 1HH2 ARG 130 1HH2 ARG 130 -33.769 8.571 -5.475 1004 2HH2 ARG 130 2HH2 ARG 130 -33.749 8.542 -7.217 1005 H ALA 131 H ALA 131 -27.610 7.067 -4.454 1006 HA ALA 131 HA ALA 131 -28.148 9.004 -2.300 1007 1HB ALA 131 1HB ALA 131 -25.931 7.981 -2.118 1008 2HB ALA 131 2HB ALA 131 -25.810 9.701 -2.490 1009 3HB ALA 131 3HB ALA 131 -25.554 8.503 -3.760 1010 H SER 132 H SER 132 -28.772 8.429 -5.352 1011 HA SER 132 HA SER 132 -29.469 9.608 -7.135 1012 1HB SER 132 1HB SER 132 -29.355 11.966 -5.253 1013 2HB SER 132 2HB SER 132 -30.155 11.950 -6.826 1014 HG SER 132 HG SER 132 -30.808 10.364 -4.549 Start of MODEL 3 1 1H MET 1 1H MET 1 20.580 3.129 -5.807 2 HA MET 1 HA MET 1 20.123 5.920 -5.778 3 1HB MET 1 1HB MET 1 19.104 4.495 -3.313 4 2HB MET 1 2HB MET 1 19.420 6.222 -3.402 5 1HG MET 1 1HG MET 1 17.737 6.441 -5.154 6 2HG MET 1 2HG MET 1 17.420 4.711 -5.062 7 1HE MET 1 1HE MET 1 14.219 6.339 -3.476 8 2HE MET 1 2HE MET 1 14.836 5.272 -4.738 9 3HE MET 1 3HE MET 1 15.186 7.000 -4.791 10 H SER 2 H SER 2 21.998 3.383 -5.434 11 HA SER 2 HA SER 2 24.127 3.016 -4.806 12 1HB SER 2 1HB SER 2 24.542 5.179 -5.885 13 2HB SER 2 2HB SER 2 24.208 6.008 -4.367 14 HG SER 2 HG SER 2 26.247 4.046 -4.647 15 H ASN 3 H ASN 3 23.871 5.712 -2.542 16 HA ASN 3 HA ASN 3 24.671 3.887 -0.426 17 1HB ASN 3 1HB ASN 3 25.841 6.067 -0.771 18 2HB ASN 3 2HB ASN 3 24.354 6.895 -0.323 19 1HD2 ASN 3 1HD2 ASN 3 23.746 6.974 1.830 20 2HD2 ASN 3 2HD2 ASN 3 24.784 6.457 3.111 21 H ASP 4 H ASP 4 23.456 3.327 1.307 22 HA ASP 4 HA ASP 4 20.614 3.791 1.102 23 1HB ASP 4 1HB ASP 4 20.423 2.186 2.949 24 2HB ASP 4 2HB ASP 4 21.440 1.558 1.660 25 H THR 5 H THR 5 19.599 5.408 2.014 26 HA THR 5 HA THR 5 20.103 6.109 4.749 27 HB THR 5 HB THR 5 20.359 8.349 2.733 28 HG1 THR 5 HG1 THR 5 22.213 6.585 3.667 29 1HG2 THR 5 1HG2 THR 5 21.026 9.670 4.674 30 2HG2 THR 5 2HG2 THR 5 20.814 8.262 5.713 31 3HG2 THR 5 3HG2 THR 5 19.421 8.985 4.910 32 HA PRO 6 HA PRO 6 16.207 8.486 3.476 33 1HB PRO 6 1HB PRO 6 15.694 8.304 0.630 34 2HB PRO 6 2HB PRO 6 16.028 9.737 1.604 35 1HG PRO 6 1HG PRO 6 17.753 8.773 -0.268 36 2HG PRO 6 2HG PRO 6 18.276 9.666 1.172 37 1HD PRO 6 1HD PRO 6 18.237 6.703 0.698 38 2HD PRO 6 2HD PRO 6 19.506 7.705 1.427 39 H PHE 7 H PHE 7 16.016 6.275 0.677 40 HA PHE 7 HA PHE 7 13.481 5.281 1.314 41 1HB PHE 7 1HB PHE 7 14.387 5.033 -0.926 42 2HB PHE 7 2HB PHE 7 15.694 4.020 -0.322 43 HD1 PHE 7 HD1 PHE 7 15.397 1.699 0.003 44 HD2 PHE 7 HD2 PHE 7 12.044 4.172 -0.872 45 HE1 PHE 7 HE1 PHE 7 14.017 -0.305 -0.354 46 HE2 PHE 7 HE2 PHE 7 10.660 2.171 -1.228 47 HZ PHE 7 HZ PHE 7 11.646 -0.069 -0.969 48 H ASP 8 H ASP 8 16.674 4.243 2.262 49 HA ASP 8 HA ASP 8 16.076 1.707 3.283 50 1HB ASP 8 1HB ASP 8 18.357 2.793 2.918 51 2HB ASP 8 2HB ASP 8 18.116 3.575 4.467 52 H ALA 9 H ALA 9 16.291 4.831 4.904 53 HA ALA 9 HA ALA 9 15.429 3.917 7.443 54 1HB ALA 9 1HB ALA 9 16.622 6.042 7.090 55 2HB ALA 9 2HB ALA 9 15.132 6.247 8.010 56 3HB ALA 9 3HB ALA 9 15.187 6.703 6.309 57 H LEU 10 H LEU 10 13.635 5.119 4.644 58 HA LEU 10 HA LEU 10 11.115 5.220 5.920 59 1HB LEU 10 1HB LEU 10 12.117 5.239 3.150 60 2HB LEU 10 2HB LEU 10 10.498 4.605 3.342 61 HG LEU 10 HG LEU 10 10.393 6.959 2.815 62 1HD1 LEU 10 1HD1 LEU 10 9.077 7.746 4.725 63 2HD1 LEU 10 2HD1 LEU 10 9.712 6.422 5.701 64 3HD1 LEU 10 3HD1 LEU 10 8.690 6.077 4.305 65 1HD2 LEU 10 1HD2 LEU 10 12.052 7.385 5.300 66 2HD2 LEU 10 2HD2 LEU 10 11.329 8.654 4.311 67 3HD2 LEU 10 3HD2 LEU 10 12.595 7.625 3.641 68 H TRP 11 H TRP 11 12.821 2.705 4.147 69 HA TRP 11 HA TRP 11 10.774 0.773 4.278 70 1HB TRP 11 1HB TRP 11 13.204 0.977 3.007 71 2HB TRP 11 2HB TRP 11 13.516 -0.274 4.206 72 HD1 TRP 11 HD1 TRP 11 10.087 0.065 2.518 73 HE1 TRP 11 HE1 TRP 11 9.681 -2.014 1.060 74 HE3 TRP 11 HE3 TRP 11 14.688 -2.136 2.934 75 HZ2 TRP 11 HZ2 TRP 11 11.120 -4.287 0.193 76 HZ3 TRP 11 HZ3 TRP 11 15.088 -4.260 1.758 77 HH2 TRP 11 HH2 TRP 11 13.337 -5.312 0.415 78 H GLN 12 H GLN 12 13.505 1.531 6.427 79 HA GLN 12 HA GLN 12 13.267 -0.719 8.082 80 1HB GLN 12 1HB GLN 12 14.744 0.372 9.541 81 2HB GLN 12 2HB GLN 12 15.163 1.011 7.977 82 1HG GLN 12 1HG GLN 12 15.060 3.000 8.925 83 2HG GLN 12 2HG GLN 12 13.312 2.807 8.909 84 1HE2 GLN 12 1HE2 GLN 12 13.446 0.652 10.948 85 2HE2 GLN 12 2HE2 GLN 12 13.740 1.470 12.442 86 H ARG 13 H ARG 13 11.601 2.371 8.063 87 HA ARG 13 HA ARG 13 10.181 2.098 10.476 88 1HB ARG 13 1HB ARG 13 9.406 3.503 7.907 89 2HB ARG 13 2HB ARG 13 8.547 3.676 9.432 90 1HG ARG 13 1HG ARG 13 11.464 4.312 9.167 91 2HG ARG 13 2HG ARG 13 10.204 5.493 8.811 92 1HD ARG 13 1HD ARG 13 10.387 4.027 11.432 93 2HD ARG 13 2HD ARG 13 11.181 5.573 11.140 94 HE ARG 13 HE ARG 13 8.342 5.095 11.494 95 1HH1 ARG 13 1HH1 ARG 13 10.847 7.319 10.460 96 2HH1 ARG 13 2HH1 ARG 13 9.840 8.730 10.624 97 1HH2 ARG 13 1HH2 ARG 13 7.010 6.940 11.707 98 2HH2 ARG 13 2HH2 ARG 13 7.647 8.512 11.303 99 H MET 14 H MET 14 9.251 1.347 7.158 100 HA MET 14 HA MET 14 6.776 0.152 7.672 101 1HB MET 14 1HB MET 14 8.728 -0.515 5.454 102 2HB MET 14 2HB MET 14 6.994 -0.805 5.441 103 1HG MET 14 1HG MET 14 6.515 1.514 5.342 104 2HG MET 14 2HG MET 14 8.191 1.939 5.687 105 1HE MET 14 1HE MET 14 6.685 0.183 1.692 106 2HE MET 14 2HE MET 14 5.634 0.672 3.022 107 3HE MET 14 3HE MET 14 6.676 -0.741 3.195 108 H LEU 15 H LEU 15 10.027 -1.179 7.614 109 HA LEU 15 HA LEU 15 9.244 -3.914 7.805 110 1HB LEU 15 1HB LEU 15 11.848 -2.485 8.284 111 2HB LEU 15 2HB LEU 15 11.679 -4.219 8.460 112 HG LEU 15 HG LEU 15 11.154 -2.687 5.912 113 1HD1 LEU 15 1HD1 LEU 15 13.510 -4.384 6.721 114 2HD1 LEU 15 2HD1 LEU 15 13.512 -2.637 6.480 115 3HD1 LEU 15 3HD1 LEU 15 13.229 -3.715 5.112 116 1HD2 LEU 15 1HD2 LEU 15 11.280 -5.647 6.473 117 2HD2 LEU 15 2HD2 LEU 15 11.120 -4.912 4.878 118 3HD2 LEU 15 3HD2 LEU 15 9.835 -4.719 6.072 119 H ALA 16 H ALA 16 10.086 -1.435 10.132 120 HA ALA 16 HA ALA 16 10.399 -3.040 12.400 121 1HB ALA 16 1HB ALA 16 9.366 -0.210 12.239 122 2HB ALA 16 2HB ALA 16 11.062 -0.692 12.329 123 3HB ALA 16 3HB ALA 16 9.981 -1.006 13.689 124 H ARG 17 H ARG 17 7.515 -1.954 10.756 125 HA ARG 17 HA ARG 17 5.785 -2.620 12.960 126 1HB ARG 17 1HB ARG 17 5.096 -1.980 10.092 127 2HB ARG 17 2HB ARG 17 3.971 -2.032 11.445 128 1HG ARG 17 1HG ARG 17 5.296 -0.214 12.519 129 2HG ARG 17 2HG ARG 17 6.229 -0.093 11.028 130 1HD ARG 17 1HD ARG 17 4.471 1.572 11.083 131 2HD ARG 17 2HD ARG 17 4.185 0.411 9.791 132 HE ARG 17 HE ARG 17 2.428 -0.547 11.075 133 1HH1 ARG 17 1HH1 ARG 17 3.769 2.363 12.493 134 2HH1 ARG 17 2HH1 ARG 17 2.405 2.634 13.532 135 1HH2 ARG 17 1HH2 ARG 17 0.629 -0.192 12.419 136 2HH2 ARG 17 2HH2 ARG 17 0.595 1.199 13.475 137 H GLY 18 H GLY 18 7.477 -4.546 10.940 138 1HA GLY 18 1HA GLY 18 7.313 -6.900 11.099 139 2HA GLY 18 2HA GLY 18 5.601 -6.733 11.462 140 H TRP 19 H TRP 19 6.163 -4.734 8.928 141 HA TRP 19 HA TRP 19 4.756 -6.391 7.126 142 1HB TRP 19 1HB TRP 19 6.231 -3.796 6.602 143 2HB TRP 19 2HB TRP 19 5.088 -4.561 5.503 144 HD1 TRP 19 HD1 TRP 19 3.239 -5.238 8.344 145 HE1 TRP 19 HE1 TRP 19 1.652 -3.347 9.061 146 HE3 TRP 19 HE3 TRP 19 5.347 -1.378 5.740 147 HZ2 TRP 19 HZ2 TRP 19 1.330 -0.587 8.583 148 HZ3 TRP 19 HZ3 TRP 19 4.336 0.859 5.921 149 HH2 TRP 19 HH2 TRP 19 2.367 1.244 7.314 150 H THR 20 H THR 20 5.449 -7.579 5.454 151 HA THR 20 HA THR 20 8.343 -8.110 5.399 152 HB THR 20 HB THR 20 6.102 -10.014 4.701 153 HG1 THR 20 HG1 THR 20 6.435 -9.237 7.015 154 1HG2 THR 20 1HG2 THR 20 9.043 -10.493 5.190 155 2HG2 THR 20 2HG2 THR 20 8.240 -10.543 3.620 156 3HG2 THR 20 3HG2 THR 20 7.835 -11.735 4.857 157 HA PRO 21 HA PRO 21 8.176 -6.905 1.088 158 1HB PRO 21 1HB PRO 21 10.933 -7.787 0.896 159 2HB PRO 21 2HB PRO 21 10.298 -6.143 0.870 160 1HG PRO 21 1HG PRO 21 11.796 -7.139 2.917 161 2HG PRO 21 2HG PRO 21 10.591 -5.854 3.122 162 1HD PRO 21 1HD PRO 21 10.364 -8.781 3.715 163 2HD PRO 21 2HD PRO 21 9.773 -7.391 4.652 164 H VAL 22 H VAL 22 8.223 -7.922 -0.940 165 HA VAL 22 HA VAL 22 8.964 -10.732 -1.085 166 HB VAL 22 HB VAL 22 6.592 -10.725 -0.330 167 1HG1 VAL 22 1HG1 VAL 22 6.075 -9.368 -2.967 168 2HG1 VAL 22 2HG1 VAL 22 5.870 -8.660 -1.367 169 3HG1 VAL 22 3HG1 VAL 22 4.842 -9.999 -1.877 170 1HG2 VAL 22 1HG2 VAL 22 6.989 -11.759 -3.137 171 2HG2 VAL 22 2HG2 VAL 22 5.756 -12.297 -1.995 172 3HG2 VAL 22 3HG2 VAL 22 7.461 -12.589 -1.653 173 H SER 23 H SER 23 9.186 -11.493 -3.275 174 HA SER 23 HA SER 23 10.004 -9.385 -5.054 175 1HB SER 23 1HB SER 23 10.611 -11.459 -6.508 176 2HB SER 23 2HB SER 23 11.535 -11.141 -5.039 177 HG SER 23 HG SER 23 10.889 -12.987 -4.302 178 H GLU 24 H GLU 24 9.434 -9.397 -7.328 179 HA GLU 24 HA GLU 24 6.860 -8.689 -7.761 180 1HB GLU 24 1HB GLU 24 8.717 -8.165 -9.255 181 2HB GLU 24 2HB GLU 24 8.795 -9.835 -9.777 182 1HG GLU 24 1HG GLU 24 6.303 -8.230 -10.173 183 2HG GLU 24 2HG GLU 24 7.661 -8.085 -11.287 184 H SER 25 H SER 25 8.165 -11.828 -8.869 185 HA SER 25 HA SER 25 5.669 -12.632 -9.916 186 1HB SER 25 1HB SER 25 8.031 -14.392 -9.234 187 2HB SER 25 2HB SER 25 6.741 -14.747 -10.383 188 HG SER 25 HG SER 25 7.689 -12.447 -11.165 189 H ARG 26 H ARG 26 7.126 -12.996 -6.756 190 HA ARG 26 HA ARG 26 5.294 -15.134 -6.043 191 1HB ARG 26 1HB ARG 26 7.699 -14.992 -5.223 192 2HB ARG 26 2HB ARG 26 7.143 -13.721 -4.138 193 1HG ARG 26 1HG ARG 26 6.197 -15.176 -2.742 194 2HG ARG 26 2HG ARG 26 5.459 -16.092 -4.057 195 1HD ARG 26 1HD ARG 26 6.896 -17.660 -3.250 196 2HD ARG 26 2HD ARG 26 7.936 -16.887 -4.440 197 HE ARG 26 HE ARG 26 8.025 -16.344 -1.536 198 1HH1 ARG 26 1HH1 ARG 26 9.577 -16.578 -4.669 199 2HH1 ARG 26 2HH1 ARG 26 11.171 -16.260 -4.059 200 1HH2 ARG 26 1HH2 ARG 26 10.117 -15.951 -0.715 201 2HH2 ARG 26 2HH2 ARG 26 11.483 -15.912 -1.790 202 H LEU 27 H LEU 27 5.406 -11.717 -5.901 203 HA LEU 27 HA LEU 27 3.553 -11.284 -3.807 204 1HB LEU 27 1HB LEU 27 4.958 -9.515 -4.853 205 2HB LEU 27 2HB LEU 27 4.004 -9.643 -6.312 206 HG LEU 27 HG LEU 27 3.539 -7.687 -4.714 207 1HD1 LEU 27 1HD1 LEU 27 1.261 -9.431 -5.633 208 2HD1 LEU 27 2HD1 LEU 27 2.106 -8.217 -6.597 209 3HD1 LEU 27 3HD1 LEU 27 1.148 -7.725 -5.200 210 1HD2 LEU 27 1HD2 LEU 27 2.118 -9.895 -3.228 211 2HD2 LEU 27 2HD2 LEU 27 1.909 -8.169 -2.941 212 3HD2 LEU 27 3HD2 LEU 27 3.470 -8.927 -2.636 213 H ASP 28 H ASP 28 3.230 -11.951 -7.233 214 HA ASP 28 HA ASP 28 0.430 -11.722 -7.447 215 1HB ASP 28 1HB ASP 28 1.970 -11.835 -9.389 216 2HB ASP 28 2HB ASP 28 2.315 -13.517 -9.004 217 H ASP 29 H ASP 29 2.543 -14.458 -6.760 218 HA ASP 29 HA ASP 29 0.658 -16.490 -6.412 219 1HB ASP 29 1HB ASP 29 3.188 -16.681 -6.428 220 2HB ASP 29 2HB ASP 29 3.166 -16.124 -4.768 221 H TRP 30 H TRP 30 2.175 -14.401 -4.037 222 HA TRP 30 HA TRP 30 0.836 -15.107 -1.736 223 1HB TRP 30 1HB TRP 30 2.736 -13.414 -2.072 224 2HB TRP 30 2HB TRP 30 1.475 -12.238 -2.417 225 HD1 TRP 30 HD1 TRP 30 -0.503 -12.234 -0.249 226 HE1 TRP 30 HE1 TRP 30 0.047 -12.035 2.260 227 HE3 TRP 30 HE3 TRP 30 4.385 -13.726 -0.365 228 HZ2 TRP 30 HZ2 TRP 30 2.258 -12.438 3.958 229 HZ3 TRP 30 HZ3 TRP 30 5.650 -13.791 1.745 230 HH2 TRP 30 HH2 TRP 30 4.608 -13.160 3.866 231 H LEU 31 H LEU 31 -0.155 -12.678 -4.138 232 HA LEU 31 HA LEU 31 -2.427 -11.764 -2.779 233 1HB LEU 31 1HB LEU 31 -1.327 -10.576 -4.632 234 2HB LEU 31 2HB LEU 31 -1.899 -11.798 -5.748 235 HG LEU 31 HG LEU 31 -4.232 -11.147 -5.248 236 1HD1 LEU 31 1HD1 LEU 31 -4.664 -9.091 -4.001 237 2HD1 LEU 31 2HD1 LEU 31 -2.947 -8.964 -3.613 238 3HD1 LEU 31 3HD1 LEU 31 -3.897 -10.311 -2.985 239 1HD2 LEU 31 1HD2 LEU 31 -4.188 -9.013 -6.427 240 2HD2 LEU 31 2HD2 LEU 31 -3.057 -10.160 -7.147 241 3HD2 LEU 31 3HD2 LEU 31 -2.459 -8.867 -6.108 242 H THR 32 H THR 32 -2.028 -14.502 -4.965 243 HA THR 32 HA THR 32 -4.909 -14.846 -5.142 244 HB THR 32 HB THR 32 -3.571 -15.173 -7.173 245 HG1 THR 32 HG1 THR 32 -4.361 -17.555 -7.433 246 1HG2 THR 32 1HG2 THR 32 -2.419 -17.570 -5.747 247 2HG2 THR 32 2HG2 THR 32 -1.544 -16.095 -6.162 248 3HG2 THR 32 3HG2 THR 32 -2.158 -17.145 -7.440 249 H GLN 33 H GLN 33 -2.233 -16.190 -3.368 250 HA GLN 33 HA GLN 33 -3.787 -18.520 -2.572 251 1HB GLN 33 1HB GLN 33 -0.964 -17.668 -1.949 252 2HB GLN 33 2HB GLN 33 -1.711 -19.123 -1.315 253 1HG GLN 33 1HG GLN 33 -1.131 -18.487 -4.192 254 2HG GLN 33 2HG GLN 33 -0.352 -19.705 -3.184 255 1HE2 GLN 33 1HE2 GLN 33 -1.682 -20.059 -5.714 256 2HE2 GLN 33 2HE2 GLN 33 -2.982 -21.179 -5.432 257 H ALA 34 H ALA 34 -2.624 -15.498 -1.227 258 HA ALA 34 HA ALA 34 -3.515 -16.281 1.453 259 1HB ALA 34 1HB ALA 34 -2.024 -13.829 0.536 260 2HB ALA 34 2HB ALA 34 -1.294 -15.288 1.210 261 3HB ALA 34 3HB ALA 34 -2.352 -14.290 2.204 262 HA PRO 35 HA PRO 35 -7.336 -13.945 1.042 263 1HB PRO 35 1HB PRO 35 -7.142 -13.909 4.000 264 2HB PRO 35 2HB PRO 35 -8.457 -14.483 2.969 265 1HG PRO 35 1HG PRO 35 -6.883 -16.196 4.285 266 2HG PRO 35 2HG PRO 35 -7.483 -16.557 2.656 267 1HD PRO 35 1HD PRO 35 -4.775 -15.619 3.513 268 2HD PRO 35 2HD PRO 35 -5.214 -16.804 2.266 269 H ASP 36 H ASP 36 -7.764 -11.785 1.059 270 HA ASP 36 HA ASP 36 -7.444 -9.540 1.210 271 1HB ASP 36 1HB ASP 36 -7.310 -10.093 3.710 272 2HB ASP 36 2HB ASP 36 -5.561 -10.039 3.526 273 H GLY 37 H GLY 37 -4.972 -8.135 1.860 274 1HA GLY 37 1HA GLY 37 -2.582 -8.674 1.182 275 2HA GLY 37 2HA GLY 37 -3.295 -9.178 -0.341 276 H VAL 38 H VAL 38 -2.285 -6.520 1.609 277 HA VAL 38 HA VAL 38 -2.884 -4.686 -0.617 278 HB VAL 38 HB VAL 38 -2.439 -2.838 0.983 279 1HG1 VAL 38 1HG1 VAL 38 -4.722 -3.567 0.563 280 2HG1 VAL 38 2HG1 VAL 38 -4.528 -3.054 2.240 281 3HG1 VAL 38 3HG1 VAL 38 -4.586 -4.772 1.843 282 1HG2 VAL 38 1HG2 VAL 38 -2.331 -5.047 3.030 283 2HG2 VAL 38 2HG2 VAL 38 -2.410 -3.324 3.390 284 3HG2 VAL 38 3HG2 VAL 38 -1.000 -3.987 2.562 285 H VAL 39 H VAL 39 -1.206 -3.467 -1.537 286 HA VAL 39 HA VAL 39 1.496 -4.434 -0.841 287 HB VAL 39 HB VAL 39 0.495 -3.835 -3.632 288 1HG1 VAL 39 1HG1 VAL 39 3.101 -4.993 -2.640 289 2HG1 VAL 39 2HG1 VAL 39 2.873 -3.409 -3.382 290 3HG1 VAL 39 3HG1 VAL 39 2.623 -4.874 -4.332 291 1HG2 VAL 39 1HG2 VAL 39 0.642 -6.263 -4.011 292 2HG2 VAL 39 2HG2 VAL 39 -0.557 -5.862 -2.780 293 3HG2 VAL 39 3HG2 VAL 39 1.018 -6.498 -2.303 294 H LEU 40 H LEU 40 2.833 -2.856 -0.277 295 HA LEU 40 HA LEU 40 2.225 -0.114 -1.124 296 1HB LEU 40 1HB LEU 40 4.047 -1.185 1.029 297 2HB LEU 40 2HB LEU 40 3.984 0.506 0.575 298 HG LEU 40 HG LEU 40 1.496 0.404 1.175 299 1HD1 LEU 40 1HD1 LEU 40 2.401 -2.104 2.576 300 2HD1 LEU 40 2HD1 LEU 40 1.273 -2.024 1.223 301 3HD1 LEU 40 3HD1 LEU 40 0.840 -1.304 2.775 302 1HD2 LEU 40 1HD2 LEU 40 3.177 1.549 2.522 303 2HD2 LEU 40 2HD2 LEU 40 3.549 0.038 3.349 304 3HD2 LEU 40 3HD2 LEU 40 1.959 0.777 3.537 305 H LEU 41 H LEU 41 3.452 0.946 -2.559 306 HA LEU 41 HA LEU 41 5.592 -0.495 -3.850 307 1HB LEU 41 1HB LEU 41 4.530 2.285 -4.376 308 2HB LEU 41 2HB LEU 41 5.612 1.379 -5.420 309 HG LEU 41 HG LEU 41 2.742 0.674 -4.788 310 1HD1 LEU 41 1HD1 LEU 41 2.393 1.112 -7.184 311 2HD1 LEU 41 2HD1 LEU 41 4.066 1.659 -7.309 312 3HD1 LEU 41 3HD1 LEU 41 2.918 2.546 -6.306 313 1HD2 LEU 41 1HD2 LEU 41 4.152 -1.322 -5.052 314 2HD2 LEU 41 2HD2 LEU 41 4.694 -0.715 -6.618 315 3HD2 LEU 41 3HD2 LEU 41 2.999 -1.137 -6.376 316 H SER 42 H SER 42 7.550 1.029 -4.497 317 HA SER 42 HA SER 42 9.024 1.356 -2.124 318 1HB SER 42 1HB SER 42 10.710 2.467 -3.721 319 2HB SER 42 2HB SER 42 10.277 0.787 -4.036 320 HG SER 42 HG SER 42 9.206 1.365 -5.805 321 H SER 43 H SER 43 8.904 2.949 -0.704 322 HA SER 43 HA SER 43 7.572 5.400 -1.220 323 1HB SER 43 1HB SER 43 9.392 4.698 1.096 324 2HB SER 43 2HB SER 43 8.187 5.988 1.059 325 HG SER 43 HG SER 43 7.016 3.683 0.379 326 H ASP 44 H ASP 44 8.512 6.543 -2.823 327 HA ASP 44 HA ASP 44 11.369 6.881 -2.976 328 1HB ASP 44 1HB ASP 44 9.849 6.607 -4.963 329 2HB ASP 44 2HB ASP 44 9.233 8.224 -4.637 330 HA PRO 45 HA PRO 45 11.481 10.521 -0.437 331 1HB PRO 45 1HB PRO 45 14.091 11.011 -1.705 332 2HB PRO 45 2HB PRO 45 13.705 10.703 -0.010 333 1HG PRO 45 1HG PRO 45 14.956 8.876 -1.520 334 2HG PRO 45 2HG PRO 45 13.786 8.412 -0.269 335 1HD PRO 45 1HD PRO 45 13.417 8.587 -3.238 336 2HD PRO 45 2HD PRO 45 12.842 7.346 -2.103 337 H LYS 46 H LYS 46 11.921 10.569 -3.891 338 HA LYS 46 HA LYS 46 11.793 13.503 -3.948 339 1HB LYS 46 1HB LYS 46 13.626 12.489 -5.192 340 2HB LYS 46 2HB LYS 46 12.496 11.502 -6.094 341 1HG LYS 46 1HG LYS 46 13.338 13.427 -7.374 342 2HG LYS 46 2HG LYS 46 11.586 13.432 -7.190 343 1HD LYS 46 1HD LYS 46 11.760 15.073 -5.402 344 2HD LYS 46 2HD LYS 46 13.520 15.033 -5.512 345 1HE LYS 46 1HE LYS 46 12.484 16.981 -6.661 346 2HE LYS 46 2HE LYS 46 13.467 15.966 -7.718 347 1HZ LYS 46 1HZ LYS 46 11.525 14.997 -8.652 348 2HZ LYS 46 2HZ LYS 46 11.298 16.678 -8.680 349 3HZ LYS 46 3HZ LYS 46 10.512 15.733 -7.509 350 H ARG 47 H ARG 47 10.381 10.664 -5.500 351 HA ARG 47 HA ARG 47 8.396 12.081 -6.933 352 1HB ARG 47 1HB ARG 47 8.669 9.177 -6.175 353 2HB ARG 47 2HB ARG 47 7.321 9.775 -7.135 354 1HG ARG 47 1HG ARG 47 8.859 10.559 -8.848 355 2HG ARG 47 2HG ARG 47 10.233 10.031 -7.875 356 1HD ARG 47 1HD ARG 47 8.069 8.149 -8.786 357 2HD ARG 47 2HD ARG 47 9.495 8.493 -9.762 358 HE ARG 47 HE ARG 47 10.570 7.767 -7.393 359 1HH1 ARG 47 1HH1 ARG 47 8.181 6.252 -9.458 360 2HH1 ARG 47 2HH1 ARG 47 8.610 4.630 -9.008 361 1HH2 ARG 47 1HH2 ARG 47 11.136 5.668 -6.777 362 2HH2 ARG 47 2HH2 ARG 47 10.286 4.307 -7.447 363 H THR 48 H THR 48 8.470 10.911 -3.652 364 HA THR 48 HA THR 48 5.588 11.310 -3.370 365 HB THR 48 HB THR 48 7.477 10.511 -1.164 366 HG1 THR 48 HG1 THR 48 7.887 8.876 -2.474 367 1HG2 THR 48 1HG2 THR 48 5.193 11.097 -0.509 368 2HG2 THR 48 2HG2 THR 48 5.495 9.374 -0.278 369 3HG2 THR 48 3HG2 THR 48 4.557 9.925 -1.665 370 HA PRO 49 HA PRO 49 6.252 15.518 -1.999 371 1HB PRO 49 1HB PRO 49 3.485 15.309 -1.004 372 2HB PRO 49 2HB PRO 49 4.166 16.405 -2.211 373 1HG PRO 49 1HG PRO 49 2.533 14.400 -2.910 374 2HG PRO 49 2HG PRO 49 3.902 14.882 -3.932 375 1HD PRO 49 1HD PRO 49 3.672 12.573 -2.029 376 2HD PRO 49 2HD PRO 49 4.370 12.620 -3.662 377 H GLU 50 H GLU 50 5.301 12.893 0.032 378 HA GLU 50 HA GLU 50 6.494 14.135 2.329 379 1HB GLU 50 1HB GLU 50 4.129 14.916 2.444 380 2HB GLU 50 2HB GLU 50 3.604 13.236 2.459 381 1HG GLU 50 1HG GLU 50 3.643 14.276 4.696 382 2HG GLU 50 2HG GLU 50 4.686 12.858 4.566 383 H VAL 51 H VAL 51 7.906 12.571 2.654 384 HA VAL 51 HA VAL 51 7.062 9.782 2.307 385 HB VAL 51 HB VAL 51 9.930 10.462 2.626 386 1HG1 VAL 51 1HG1 VAL 51 8.433 8.618 0.775 387 2HG1 VAL 51 2HG1 VAL 51 9.226 8.167 2.284 388 3HG1 VAL 51 3HG1 VAL 51 10.188 8.734 0.918 389 1HG2 VAL 51 1HG2 VAL 51 9.337 12.269 1.199 390 2HG2 VAL 51 2HG2 VAL 51 8.333 11.230 0.196 391 3HG2 VAL 51 3HG2 VAL 51 10.083 11.031 0.186 392 H SER 52 H SER 52 9.160 11.733 4.427 393 HA SER 52 HA SER 52 9.676 9.393 6.041 394 1HB SER 52 1HB SER 52 11.419 11.086 5.293 395 2HB SER 52 2HB SER 52 10.747 12.169 6.509 396 HG SER 52 HG SER 52 12.043 9.685 6.875 397 H ASP 53 H ASP 53 7.219 11.591 6.143 398 HA ASP 53 HA ASP 53 7.140 12.537 8.758 399 1HB ASP 53 1HB ASP 53 5.554 13.107 6.836 400 2HB ASP 53 2HB ASP 53 4.660 11.658 7.288 401 H ASN 54 H ASN 54 4.906 9.929 7.775 402 HA ASN 54 HA ASN 54 5.882 8.035 9.636 403 1HB ASN 54 1HB ASN 54 4.299 8.122 11.395 404 2HB ASN 54 2HB ASN 54 4.830 9.783 11.178 405 1HD2 ASN 54 1HD2 ASN 54 3.388 11.297 10.244 406 2HD2 ASN 54 2HD2 ASN 54 1.685 10.984 10.197 407 HA PRO 55 HA PRO 55 2.826 5.764 7.237 408 1HB PRO 55 1HB PRO 55 4.005 3.374 7.478 409 2HB PRO 55 2HB PRO 55 4.748 4.664 6.525 410 1HG PRO 55 1HG PRO 55 5.561 3.560 9.131 411 2HG PRO 55 2HG PRO 55 6.520 4.463 7.947 412 1HD PRO 55 1HD PRO 55 5.186 5.439 10.339 413 2HD PRO 55 2HD PRO 55 6.296 6.303 9.256 414 H VAL 56 H VAL 56 2.061 6.432 9.922 415 HA VAL 56 HA VAL 56 1.493 3.957 11.324 416 HB VAL 56 HB VAL 56 0.664 6.787 12.004 417 1HG1 VAL 56 1HG1 VAL 56 0.310 5.925 14.267 418 2HG1 VAL 56 2HG1 VAL 56 0.699 4.296 13.711 419 3HG1 VAL 56 3HG1 VAL 56 -0.740 5.118 13.102 420 1HG2 VAL 56 1HG2 VAL 56 2.995 5.152 13.001 421 2HG2 VAL 56 2HG2 VAL 56 2.521 6.745 13.595 422 3HG2 VAL 56 3HG2 VAL 56 3.085 6.555 11.936 423 H MET 57 H MET 57 -0.076 6.090 9.124 424 HA MET 57 HA MET 57 -2.744 5.881 9.687 425 1HB MET 57 1HB MET 57 -3.162 6.124 7.253 426 2HB MET 57 2HB MET 57 -1.965 7.256 7.865 427 1HG MET 57 1HG MET 57 -0.182 6.010 6.904 428 2HG MET 57 2HG MET 57 -1.257 4.675 6.496 429 1HE MET 57 1HE MET 57 -0.246 6.087 2.982 430 2HE MET 57 2HE MET 57 -0.212 4.698 4.068 431 3HE MET 57 3HE MET 57 0.793 6.108 4.407 432 H ILE 58 H ILE 58 -0.812 3.514 7.878 433 HA ILE 58 HA ILE 58 -2.922 1.860 7.072 434 HB ILE 58 HB ILE 58 -0.053 1.069 7.617 435 1HG1 ILE 58 1HG1 ILE 58 -0.225 2.945 6.042 436 2HG1 ILE 58 2HG1 ILE 58 0.318 1.482 5.231 437 1HG2 ILE 58 1HG2 ILE 58 -2.173 -0.258 5.931 438 2HG2 ILE 58 2HG2 ILE 58 -1.479 -0.877 7.430 439 3HG2 ILE 58 3HG2 ILE 58 -0.474 -0.732 5.988 440 1HD1 ILE 58 1HD1 ILE 58 -1.945 1.130 4.362 441 2HD1 ILE 58 2HD1 ILE 58 -1.277 2.686 3.865 442 3HD1 ILE 58 3HD1 ILE 58 -2.470 2.614 5.161 443 H GLY 59 H GLY 59 -1.086 2.001 10.049 444 1HA GLY 59 1HA GLY 59 -1.813 -0.550 11.045 445 2HA GLY 59 2HA GLY 59 -1.184 0.787 11.994 446 H GLU 60 H GLU 60 -3.143 2.695 11.637 447 HA GLU 60 HA GLU 60 -5.161 1.686 13.410 448 1HB GLU 60 1HB GLU 60 -4.949 4.397 12.098 449 2HB GLU 60 2HB GLU 60 -5.919 3.983 13.503 450 1HG GLU 60 1HG GLU 60 -2.916 3.985 13.336 451 2HG GLU 60 2HG GLU 60 -3.928 5.151 14.183 452 H LEU 61 H LEU 61 -4.952 2.659 10.059 453 HA LEU 61 HA LEU 61 -7.692 2.855 9.494 454 1HB LEU 61 1HB LEU 61 -5.823 3.741 8.124 455 2HB LEU 61 2HB LEU 61 -5.429 2.103 7.652 456 HG LEU 61 HG LEU 61 -7.476 1.894 6.416 457 1HD1 LEU 61 1HD1 LEU 61 -9.078 3.729 6.252 458 2HD1 LEU 61 2HD1 LEU 61 -8.150 4.654 7.431 459 3HD1 LEU 61 3HD1 LEU 61 -8.945 3.155 7.912 460 1HD2 LEU 61 1HD2 LEU 61 -6.128 4.541 5.894 461 2HD2 LEU 61 2HD2 LEU 61 -7.134 3.659 4.745 462 3HD2 LEU 61 3HD2 LEU 61 -5.607 2.967 5.289 463 H LEU 62 H LEU 62 -5.434 0.181 8.782 464 HA LEU 62 HA LEU 62 -7.460 -1.519 7.773 465 1HB LEU 62 1HB LEU 62 -4.606 -1.886 8.562 466 2HB LEU 62 2HB LEU 62 -5.596 -3.303 8.283 467 HG LEU 62 HG LEU 62 -6.036 -2.575 5.993 468 1HD1 LEU 62 1HD1 LEU 62 -5.945 -0.167 6.277 469 2HD1 LEU 62 2HD1 LEU 62 -4.801 -0.674 5.036 470 3HD1 LEU 62 3HD1 LEU 62 -4.223 -0.254 6.648 471 1HD2 LEU 62 1HD2 LEU 62 -3.787 -2.888 5.102 472 2HD2 LEU 62 2HD2 LEU 62 -4.112 -3.994 6.439 473 3HD2 LEU 62 3HD2 LEU 62 -3.108 -2.567 6.698 474 H ARG 63 H ARG 63 -6.251 -0.932 10.976 475 HA ARG 63 HA ARG 63 -7.186 -3.438 11.989 476 1HB ARG 63 1HB ARG 63 -5.714 -1.159 13.128 477 2HB ARG 63 2HB ARG 63 -6.706 -2.081 14.254 478 1HG ARG 63 1HG ARG 63 -4.533 -3.172 12.474 479 2HG ARG 63 2HG ARG 63 -4.458 -2.960 14.226 480 1HD ARG 63 1HD ARG 63 -6.304 -4.556 14.489 481 2HD ARG 63 2HD ARG 63 -6.358 -4.777 12.742 482 HE ARG 63 HE ARG 63 -3.921 -5.428 14.253 483 1HH1 ARG 63 1HH1 ARG 63 -6.554 -6.387 12.140 484 2HH1 ARG 63 2HH1 ARG 63 -5.901 -7.963 11.832 485 1HH2 ARG 63 1HH2 ARG 63 -3.081 -7.528 13.871 486 2HH2 ARG 63 2HH2 ARG 63 -3.959 -8.625 12.842 487 H GLU 64 H GLU 64 -8.863 -0.597 11.271 488 HA GLU 64 HA GLU 64 -10.713 -0.746 13.439 489 1HB GLU 64 1HB GLU 64 -12.163 0.689 12.209 490 2HB GLU 64 2HB GLU 64 -10.523 1.252 11.954 491 1HG GLU 64 1HG GLU 64 -10.481 0.420 9.744 492 2HG GLU 64 2HG GLU 64 -11.970 -0.497 9.988 493 H PHE 65 H PHE 65 -10.100 -2.707 10.761 494 HA PHE 65 HA PHE 65 -12.582 -4.210 11.270 495 1HB PHE 65 1HB PHE 65 -10.650 -4.527 8.951 496 2HB PHE 65 2HB PHE 65 -12.189 -5.356 9.151 497 HD1 PHE 65 HD1 PHE 65 -14.305 -3.961 9.122 498 HD2 PHE 65 HD2 PHE 65 -10.523 -2.471 7.869 499 HE1 PHE 65 HE1 PHE 65 -15.428 -2.168 7.870 500 HE2 PHE 65 HE2 PHE 65 -11.642 -0.676 6.614 501 HZ PHE 65 HZ PHE 65 -14.099 -0.521 6.613 502 HA PRO 66 HA PRO 66 -9.156 -6.450 13.355 503 1HB PRO 66 1HB PRO 66 -10.913 -6.965 15.564 504 2HB PRO 66 2HB PRO 66 -9.527 -5.875 15.505 505 1HG PRO 66 1HG PRO 66 -12.141 -5.055 15.759 506 2HG PRO 66 2HG PRO 66 -10.833 -4.051 15.118 507 1HD PRO 66 1HD PRO 66 -12.930 -5.599 13.644 508 2HD PRO 66 2HD PRO 66 -12.271 -3.985 13.300 509 H ASP 67 H ASP 67 -12.249 -7.384 12.332 510 HA ASP 67 HA ASP 67 -12.186 -10.065 13.346 511 1HB ASP 67 1HB ASP 67 -14.332 -9.060 12.990 512 2HB ASP 67 2HB ASP 67 -13.944 -8.705 11.310 513 H TYR 68 H TYR 68 -10.979 -8.489 10.562 514 HA TYR 68 HA TYR 68 -10.400 -11.087 9.333 515 1HB TYR 68 1HB TYR 68 -12.037 -9.308 8.188 516 2HB TYR 68 2HB TYR 68 -10.506 -8.642 7.631 517 HD1 TYR 68 HD1 TYR 68 -9.386 -9.613 5.775 518 HD2 TYR 68 HD2 TYR 68 -12.535 -11.749 7.686 519 HE1 TYR 68 HE1 TYR 68 -9.343 -11.291 3.969 520 HE2 TYR 68 HE2 TYR 68 -12.499 -13.422 5.889 521 HH TYR 68 HH TYR 68 -11.823 -13.600 3.556 522 H THR 69 H THR 69 -8.344 -11.443 8.724 523 HA THR 69 HA THR 69 -6.373 -9.615 9.779 524 HB THR 69 HB THR 69 -4.781 -11.502 9.057 525 HG1 THR 69 HG1 THR 69 -6.603 -13.445 9.228 526 1HG2 THR 69 1HG2 THR 69 -5.471 -11.074 11.373 527 2HG2 THR 69 2HG2 THR 69 -5.319 -12.802 11.053 528 3HG2 THR 69 3HG2 THR 69 -6.916 -12.054 11.120 529 H TRP 70 H TRP 70 -5.621 -8.050 8.579 530 HA TRP 70 HA TRP 70 -5.627 -8.150 5.695 531 1HB TRP 70 1HB TRP 70 -4.551 -6.080 7.622 532 2HB TRP 70 2HB TRP 70 -4.619 -5.883 5.875 533 HD1 TRP 70 HD1 TRP 70 -6.986 -6.241 8.901 534 HE1 TRP 70 HE1 TRP 70 -9.206 -5.084 8.326 535 HE3 TRP 70 HE3 TRP 70 -6.024 -5.048 4.031 536 HZ2 TRP 70 HZ2 TRP 70 -10.395 -3.826 6.095 537 HZ3 TRP 70 HZ3 TRP 70 -7.754 -3.865 2.744 538 HH2 TRP 70 HH2 TRP 70 -9.894 -3.269 3.757 539 H GLN 71 H GLN 71 -3.909 -8.597 4.399 540 HA GLN 71 HA GLN 71 -1.387 -9.224 5.779 541 1HB GLN 71 1HB GLN 71 -2.347 -10.189 3.081 542 2HB GLN 71 2HB GLN 71 -0.825 -10.630 3.844 543 1HG GLN 71 1HG GLN 71 -2.366 -11.431 5.790 544 2HG GLN 71 2HG GLN 71 -3.597 -11.452 4.534 545 1HE2 GLN 71 1HE2 GLN 71 -3.841 -13.666 4.490 546 2HE2 GLN 71 2HE2 GLN 71 -2.607 -14.745 3.942 547 H VAL 72 H VAL 72 -0.024 -7.641 5.711 548 HA VAL 72 HA VAL 72 -0.084 -5.743 3.495 549 HB VAL 72 HB VAL 72 1.522 -5.564 6.047 550 1HG1 VAL 72 1HG1 VAL 72 2.402 -4.168 4.294 551 2HG1 VAL 72 2HG1 VAL 72 1.601 -3.157 5.498 552 3HG1 VAL 72 3HG1 VAL 72 0.799 -3.509 3.967 553 1HG2 VAL 72 1HG2 VAL 72 -0.835 -5.658 6.623 554 2HG2 VAL 72 2HG2 VAL 72 -1.200 -4.404 5.437 555 3HG2 VAL 72 3HG2 VAL 72 -0.224 -4.019 6.854 556 H ALA 73 H ALA 73 1.222 -6.076 1.844 557 HA ALA 73 HA ALA 73 3.868 -7.279 2.352 558 1HB ALA 73 1HB ALA 73 2.186 -7.417 -0.154 559 2HB ALA 73 2HB ALA 73 2.457 -8.731 0.990 560 3HB ALA 73 3HB ALA 73 3.801 -8.102 0.035 561 H ILE 74 H ILE 74 5.654 -6.263 1.498 562 HA ILE 74 HA ILE 74 5.148 -3.716 0.111 563 HB ILE 74 HB ILE 74 7.040 -2.701 1.301 564 1HG1 ILE 74 1HG1 ILE 74 7.048 -5.251 2.939 565 2HG1 ILE 74 2HG1 ILE 74 8.300 -4.766 1.800 566 1HG2 ILE 74 1HG2 ILE 74 5.960 -2.479 3.499 567 2HG2 ILE 74 2HG2 ILE 74 4.919 -3.848 3.108 568 3HG2 ILE 74 3HG2 ILE 74 4.809 -2.358 2.169 569 1HD1 ILE 74 1HD1 ILE 74 8.851 -2.854 3.190 570 2HD1 ILE 74 2HD1 ILE 74 8.941 -4.347 4.125 571 3HD1 ILE 74 3HD1 ILE 74 7.554 -3.273 4.309 572 H ALA 75 H ALA 75 6.930 -2.951 -1.215 573 HA ALA 75 HA ALA 75 8.799 -5.069 -2.012 574 1HB ALA 75 1HB ALA 75 7.159 -3.402 -3.916 575 2HB ALA 75 2HB ALA 75 6.896 -5.111 -3.552 576 3HB ALA 75 3HB ALA 75 8.376 -4.598 -4.362 577 H ASP 76 H ASP 76 10.703 -4.297 -3.097 578 HA ASP 76 HA ASP 76 11.492 -1.645 -2.223 579 1HB ASP 76 1HB ASP 76 13.728 -2.269 -2.973 580 2HB ASP 76 2HB ASP 76 13.046 -3.557 -1.985 581 H LEU 77 H LEU 77 13.296 -0.956 -4.236 582 HA LEU 77 HA LEU 77 11.600 0.603 -5.835 583 1HB LEU 77 1HB LEU 77 14.533 -0.021 -6.149 584 2HB LEU 77 2HB LEU 77 13.685 1.165 -7.116 585 HG LEU 77 HG LEU 77 13.107 2.251 -4.818 586 1HD1 LEU 77 1HD1 LEU 77 14.894 1.922 -3.150 587 2HD1 LEU 77 2HD1 LEU 77 15.504 0.572 -4.105 588 3HD1 LEU 77 3HD1 LEU 77 13.899 0.485 -3.381 589 1HD2 LEU 77 1HD2 LEU 77 15.204 3.531 -4.910 590 2HD2 LEU 77 2HD2 LEU 77 14.486 3.300 -6.503 591 3HD2 LEU 77 3HD2 LEU 77 15.871 2.327 -6.010 592 H GLU 78 H GLU 78 13.616 -2.195 -6.730 593 HA GLU 78 HA GLU 78 12.885 -2.096 -9.470 594 1HB GLU 78 1HB GLU 78 14.042 -4.372 -7.865 595 2HB GLU 78 2HB GLU 78 13.974 -4.289 -9.620 596 1HG GLU 78 1HG GLU 78 15.496 -2.422 -7.817 597 2HG GLU 78 2HG GLU 78 16.176 -3.716 -8.794 598 H GLN 79 H GLN 79 11.820 -4.062 -6.744 599 HA GLN 79 HA GLN 79 10.081 -5.747 -8.159 600 1HB GLN 79 1HB GLN 79 10.416 -4.968 -5.308 601 2HB GLN 79 2HB GLN 79 8.928 -5.779 -5.766 602 1HG GLN 79 1HG GLN 79 10.910 -7.176 -4.908 603 2HG GLN 79 2HG GLN 79 9.999 -7.744 -6.304 604 1HE2 GLN 79 1HE2 GLN 79 12.966 -6.205 -5.252 605 2HE2 GLN 79 2HE2 GLN 79 13.885 -6.607 -6.669 606 H SER 80 H SER 80 9.394 -2.718 -6.398 607 HA SER 80 HA SER 80 6.612 -2.851 -6.792 608 1HB SER 80 1HB SER 80 6.630 -0.419 -6.184 609 2HB SER 80 2HB SER 80 7.462 -1.464 -5.035 610 HG SER 80 HG SER 80 9.429 -0.809 -5.910 611 H GLU 81 H GLU 81 9.141 -1.184 -8.633 612 HA GLU 81 HA GLU 81 7.386 0.079 -10.440 613 1HB GLU 81 1HB GLU 81 10.304 -0.642 -10.582 614 2HB GLU 81 2HB GLU 81 9.483 0.168 -11.902 615 1HG GLU 81 1HG GLU 81 9.665 1.225 -9.092 616 2HG GLU 81 2HG GLU 81 10.718 1.704 -10.421 617 H ALA 82 H ALA 82 8.948 -3.082 -10.454 618 HA ALA 82 HA ALA 82 8.176 -3.788 -13.102 619 1HB ALA 82 1HB ALA 82 10.005 -4.913 -11.947 620 2HB ALA 82 2HB ALA 82 8.776 -6.071 -12.455 621 3HB ALA 82 3HB ALA 82 8.871 -5.568 -10.765 622 H ILE 83 H ILE 83 6.764 -4.425 -9.905 623 HA ILE 83 HA ILE 83 4.581 -5.970 -10.829 624 HB ILE 83 HB ILE 83 4.830 -4.302 -8.319 625 1HG1 ILE 83 1HG1 ILE 83 5.138 -7.282 -8.728 626 2HG1 ILE 83 2HG1 ILE 83 6.478 -6.153 -8.576 627 1HG2 ILE 83 1HG2 ILE 83 2.807 -6.431 -9.001 628 2HG2 ILE 83 2HG2 ILE 83 2.486 -4.703 -8.864 629 3HG2 ILE 83 3HG2 ILE 83 2.971 -5.627 -7.442 630 1HD1 ILE 83 1HD1 ILE 83 4.405 -6.719 -6.473 631 2HD1 ILE 83 2HD1 ILE 83 5.752 -5.589 -6.318 632 3HD1 ILE 83 3HD1 ILE 83 6.066 -7.316 -6.491 633 H GLY 84 H GLY 84 4.987 -2.513 -10.187 634 1HA GLY 84 1HA GLY 84 2.347 -1.721 -10.740 635 2HA GLY 84 2HA GLY 84 3.770 -0.695 -10.861 636 H ASP 85 H ASP 85 5.155 -2.113 -12.855 637 HA ASP 85 HA ASP 85 4.059 -1.056 -15.202 638 1HB ASP 85 1HB ASP 85 6.434 -1.583 -14.983 639 2HB ASP 85 2HB ASP 85 6.065 -3.297 -14.886 640 H ARG 86 H ARG 86 3.943 -4.322 -13.876 641 HA ARG 86 HA ARG 86 2.709 -5.695 -15.909 642 1HB ARG 86 1HB ARG 86 2.671 -5.890 -12.933 643 2HB ARG 86 2HB ARG 86 1.598 -6.901 -13.868 644 1HG ARG 86 1HG ARG 86 3.549 -7.808 -15.076 645 2HG ARG 86 2HG ARG 86 4.596 -6.839 -14.031 646 1HD ARG 86 1HD ARG 86 4.320 -9.215 -13.293 647 2HD ARG 86 2HD ARG 86 3.863 -8.015 -12.083 648 HE ARG 86 HE ARG 86 1.566 -8.690 -13.533 649 1HH1 ARG 86 1HH1 ARG 86 3.819 -10.239 -11.326 650 2HH1 ARG 86 2HH1 ARG 86 2.613 -11.314 -10.677 651 1HH2 ARG 86 1HH2 ARG 86 0.006 -10.105 -12.705 652 2HH2 ARG 86 2HH2 ARG 86 0.426 -11.243 -11.454 653 H PHE 87 H PHE 87 1.293 -3.585 -13.486 654 HA PHE 87 HA PHE 87 -1.399 -4.162 -14.448 655 1HB PHE 87 1HB PHE 87 -0.738 -3.923 -11.972 656 2HB PHE 87 2HB PHE 87 -0.657 -2.194 -12.286 657 HD1 PHE 87 HD1 PHE 87 -2.661 -0.896 -12.641 658 HD2 PHE 87 HD2 PHE 87 -2.854 -5.104 -12.016 659 HE1 PHE 87 HE1 PHE 87 -5.086 -0.726 -12.236 660 HE2 PHE 87 HE2 PHE 87 -5.273 -4.942 -11.610 661 HZ PHE 87 HZ PHE 87 -6.393 -2.754 -11.717 662 H GLY 88 H GLY 88 0.448 -1.196 -13.725 663 1HA GLY 88 1HA GLY 88 0.359 0.191 -16.004 664 2HA GLY 88 2HA GLY 88 -1.309 0.327 -15.467 665 H VAL 89 H VAL 89 -0.047 0.172 -12.630 666 HA VAL 89 HA VAL 89 0.320 3.059 -12.409 667 HB VAL 89 HB VAL 89 0.043 1.028 -10.186 668 1HG1 VAL 89 1HG1 VAL 89 -0.213 4.038 -10.169 669 2HG1 VAL 89 2HG1 VAL 89 1.124 3.102 -9.493 670 3HG1 VAL 89 3HG1 VAL 89 -0.490 2.970 -8.792 671 1HG2 VAL 89 1HG2 VAL 89 -2.067 2.795 -11.423 672 2HG2 VAL 89 2HG2 VAL 89 -2.284 1.769 -10.006 673 3HG2 VAL 89 3HG2 VAL 89 -1.961 1.042 -11.580 674 H PHE 90 H PHE 90 2.417 3.406 -13.048 675 HA PHE 90 HA PHE 90 4.461 2.328 -11.240 676 1HB PHE 90 1HB PHE 90 6.042 2.215 -13.195 677 2HB PHE 90 2HB PHE 90 4.758 1.017 -13.215 678 HD1 PHE 90 HD1 PHE 90 5.920 4.181 -14.727 679 HD2 PHE 90 HD2 PHE 90 3.191 0.924 -14.981 680 HE1 PHE 90 HE1 PHE 90 5.302 4.883 -17.000 681 HE2 PHE 90 HE2 PHE 90 2.572 1.618 -17.261 682 HZ PHE 90 HZ PHE 90 3.630 3.603 -18.268 683 H ARG 91 H ARG 91 6.460 3.637 -11.237 684 HA ARG 91 HA ARG 91 7.542 5.606 -10.924 685 1HB ARG 91 1HB ARG 91 7.017 5.877 -13.391 686 2HB ARG 91 2HB ARG 91 5.630 6.840 -12.908 687 1HG ARG 91 1HG ARG 91 7.284 8.315 -11.656 688 2HG ARG 91 2HG ARG 91 8.541 7.466 -12.558 689 1HD ARG 91 1HD ARG 91 7.426 8.129 -14.662 690 2HD ARG 91 2HD ARG 91 6.247 9.043 -13.721 691 HE ARG 91 HE ARG 91 9.067 9.710 -14.130 692 1HH1 ARG 91 1HH1 ARG 91 5.985 10.496 -12.634 693 2HH1 ARG 91 2HH1 ARG 91 6.431 12.149 -12.320 694 1HH2 ARG 91 1HH2 ARG 91 9.613 11.903 -13.737 695 2HH2 ARG 91 2HH2 ARG 91 8.469 12.934 -12.933 696 H PHE 92 H PHE 92 4.618 4.952 -9.856 697 HA PHE 92 HA PHE 92 4.346 7.512 -8.442 698 1HB PHE 92 1HB PHE 92 2.559 7.354 -10.111 699 2HB PHE 92 2HB PHE 92 2.094 5.778 -9.481 700 HD1 PHE 92 HD1 PHE 92 2.505 9.315 -8.398 701 HD2 PHE 92 HD2 PHE 92 0.403 5.648 -7.918 702 HE1 PHE 92 HE1 PHE 92 0.950 10.413 -6.834 703 HE2 PHE 92 HE2 PHE 92 -1.149 6.733 -6.349 704 HZ PHE 92 HZ PHE 92 -0.880 9.121 -5.807 705 HA PRO 93 HA PRO 93 4.814 4.393 -5.195 706 1HB PRO 93 1HB PRO 93 5.731 6.109 -3.328 707 2HB PRO 93 2HB PRO 93 6.762 5.448 -4.601 708 1HG PRO 93 1HG PRO 93 5.460 8.125 -4.415 709 2HG PRO 93 2HG PRO 93 7.074 7.697 -4.996 710 1HD PRO 93 1HD PRO 93 4.949 8.214 -6.640 711 2HD PRO 93 2HD PRO 93 6.321 7.184 -7.091 712 H ALA 94 H ALA 94 3.190 3.746 -4.046 713 HA ALA 94 HA ALA 94 1.798 5.306 -2.148 714 1HB ALA 94 1HB ALA 94 0.707 6.231 -4.142 715 2HB ALA 94 2HB ALA 94 -0.428 5.306 -3.159 716 3HB ALA 94 3HB ALA 94 0.235 4.607 -4.635 717 H THR 95 H THR 95 -0.391 3.957 -1.623 718 HA THR 95 HA THR 95 0.496 1.173 -1.380 719 HB THR 95 HB THR 95 -1.717 2.597 0.121 720 HG1 THR 95 HG1 THR 95 1.029 2.412 0.519 721 1HG2 THR 95 1HG2 THR 95 -0.370 -0.064 0.612 722 2HG2 THR 95 2HG2 THR 95 -2.011 0.168 0.004 723 3HG2 THR 95 3HG2 THR 95 -1.595 0.678 1.641 724 H LEU 96 H LEU 96 -0.378 -0.278 -2.699 725 HA LEU 96 HA LEU 96 -2.883 0.363 -4.076 726 1HB LEU 96 1HB LEU 96 -0.869 -1.841 -4.559 727 2HB LEU 96 2HB LEU 96 -2.315 -1.572 -5.512 728 HG LEU 96 HG LEU 96 0.012 0.339 -5.284 729 1HD1 LEU 96 1HD1 LEU 96 0.596 -1.638 -6.555 730 2HD1 LEU 96 2HD1 LEU 96 0.415 -0.253 -7.634 731 3HD1 LEU 96 3HD1 LEU 96 -0.860 -1.467 -7.534 732 1HD2 LEU 96 1HD2 LEU 96 -2.493 0.466 -6.962 733 2HD2 LEU 96 2HD2 LEU 96 -1.116 1.561 -7.093 734 3HD2 LEU 96 3HD2 LEU 96 -2.080 1.527 -5.614 735 H VAL 97 H VAL 97 -4.712 -0.441 -3.303 736 HA VAL 97 HA VAL 97 -4.524 -2.601 -1.343 737 HB VAL 97 HB VAL 97 -5.636 -0.677 -0.477 738 1HG1 VAL 97 1HG1 VAL 97 -7.478 -0.848 -2.853 739 2HG1 VAL 97 2HG1 VAL 97 -6.295 0.419 -2.520 740 3HG1 VAL 97 3HG1 VAL 97 -7.699 0.225 -1.468 741 1HG2 VAL 97 1HG2 VAL 97 -6.549 -2.822 0.217 742 2HG2 VAL 97 2HG2 VAL 97 -7.677 -2.794 -1.140 743 3HG2 VAL 97 3HG2 VAL 97 -7.816 -1.594 0.146 744 H PHE 98 H PHE 98 -5.013 -4.579 -1.868 745 HA PHE 98 HA PHE 98 -6.962 -5.060 -4.020 746 1HB PHE 98 1HB PHE 98 -4.552 -6.718 -3.227 747 2HB PHE 98 2HB PHE 98 -5.777 -7.238 -4.374 748 HD1 PHE 98 HD1 PHE 98 -3.028 -4.866 -3.787 749 HD2 PHE 98 HD2 PHE 98 -5.787 -6.448 -6.614 750 HE1 PHE 98 HE1 PHE 98 -1.759 -3.813 -5.609 751 HE2 PHE 98 HE2 PHE 98 -4.526 -5.390 -8.444 752 HZ PHE 98 HZ PHE 98 -2.507 -4.072 -7.941 753 H THR 99 H THR 99 -8.212 -7.049 -3.744 754 HA THR 99 HA THR 99 -8.078 -8.568 -1.339 755 HB THR 99 HB THR 99 -10.769 -7.767 -1.193 756 HG1 THR 99 HG1 THR 99 -9.026 -5.513 -1.061 757 1HG2 THR 99 1HG2 THR 99 -9.454 -8.578 0.671 758 2HG2 THR 99 2HG2 THR 99 -10.123 -6.991 1.061 759 3HG2 THR 99 3HG2 THR 99 -8.425 -7.145 0.603 760 H GLY 100 H GLY 100 -8.817 -10.549 -1.771 761 1HA GLY 100 1HA GLY 100 -9.884 -12.283 -2.842 762 2HA GLY 100 2HA GLY 100 -11.069 -11.116 -3.412 763 H GLY 101 H GLY 101 -7.658 -10.812 -4.026 764 1HA GLY 101 1HA GLY 101 -6.410 -11.064 -5.950 765 2HA GLY 101 2HA GLY 101 -7.743 -11.971 -6.651 766 H ASN 102 H ASN 102 -9.190 -9.269 -5.616 767 HA ASN 102 HA ASN 102 -9.035 -8.089 -8.288 768 1HB ASN 102 1HB ASN 102 -11.143 -8.309 -6.236 769 2HB ASN 102 2HB ASN 102 -11.098 -6.783 -7.117 770 1HD2 ASN 102 1HD2 ASN 102 -11.482 -10.235 -7.395 771 2HD2 ASN 102 2HD2 ASN 102 -12.231 -10.219 -8.957 772 H TYR 103 H TYR 103 -9.091 -5.822 -8.546 773 HA TYR 103 HA TYR 103 -7.294 -4.481 -6.679 774 1HB TYR 103 1HB TYR 103 -6.645 -4.495 -9.010 775 2HB TYR 103 2HB TYR 103 -8.201 -3.837 -9.492 776 HD1 TYR 103 HD1 TYR 103 -5.204 -2.996 -7.424 777 HD2 TYR 103 HD2 TYR 103 -8.413 -1.555 -9.822 778 HE1 TYR 103 HE1 TYR 103 -4.257 -0.730 -7.318 779 HE2 TYR 103 HE2 TYR 103 -7.472 0.716 -9.723 780 HH TYR 103 HH TYR 103 -4.319 1.341 -8.543 781 H ARG 104 H ARG 104 -7.936 -2.856 -5.368 782 HA ARG 104 HA ARG 104 -10.730 -2.004 -5.561 783 1HB ARG 104 1HB ARG 104 -8.722 -1.540 -3.346 784 2HB ARG 104 2HB ARG 104 -10.426 -1.099 -3.297 785 1HG ARG 104 1HG ARG 104 -9.309 -3.891 -3.471 786 2HG ARG 104 2HG ARG 104 -10.035 -3.134 -2.053 787 1HD ARG 104 1HD ARG 104 -12.162 -2.946 -3.240 788 2HD ARG 104 2HD ARG 104 -11.435 -3.680 -4.669 789 HE ARG 104 HE ARG 104 -11.134 -5.362 -2.399 790 1HH1 ARG 104 1HH1 ARG 104 -13.489 -4.267 -4.734 791 2HH1 ARG 104 2HH1 ARG 104 -14.462 -5.702 -4.649 792 1HH2 ARG 104 1HH2 ARG 104 -12.408 -7.257 -2.250 793 2HH2 ARG 104 2HH2 ARG 104 -13.854 -7.406 -3.200 794 H GLY 105 H GLY 105 -7.577 -0.455 -4.891 795 1HA GLY 105 1HA GLY 105 -7.762 1.518 -6.843 796 2HA GLY 105 2HA GLY 105 -8.523 2.167 -5.394 797 H VAL 106 H VAL 106 -6.911 3.760 -5.208 798 HA VAL 106 HA VAL 106 -4.273 2.745 -4.372 799 HB VAL 106 HB VAL 106 -4.845 5.399 -5.718 800 1HG1 VAL 106 1HG1 VAL 106 -2.226 4.114 -4.968 801 2HG1 VAL 106 2HG1 VAL 106 -2.977 5.486 -4.154 802 3HG1 VAL 106 3HG1 VAL 106 -2.426 5.645 -5.824 803 1HG2 VAL 106 1HG2 VAL 106 -3.664 4.508 -7.652 804 2HG2 VAL 106 2HG2 VAL 106 -5.086 3.531 -7.278 805 3HG2 VAL 106 3HG2 VAL 106 -3.478 2.956 -6.836 806 H LEU 107 H LEU 107 -3.563 3.390 -2.422 807 HA LEU 107 HA LEU 107 -5.206 5.349 -0.962 808 1HB LEU 107 1HB LEU 107 -3.408 3.175 0.116 809 2HB LEU 107 2HB LEU 107 -4.367 4.280 1.082 810 HG LEU 107 HG LEU 107 -5.476 2.211 -0.820 811 1HD1 LEU 107 1HD1 LEU 107 -5.363 2.275 2.193 812 2HD1 LEU 107 2HD1 LEU 107 -4.464 1.187 1.136 813 3HD1 LEU 107 3HD1 LEU 107 -6.223 1.077 1.224 814 1HD2 LEU 107 1HD2 LEU 107 -6.921 4.162 -0.649 815 2HD2 LEU 107 2HD2 LEU 107 -6.859 4.069 1.111 816 3HD2 LEU 107 3HD2 LEU 107 -7.636 2.783 0.190 817 H ASN 108 H ASN 108 -4.321 7.243 -0.550 818 HA ASN 108 HA ASN 108 -1.562 7.472 0.217 819 1HB ASN 108 1HB ASN 108 -0.932 9.119 -1.482 820 2HB ASN 108 2HB ASN 108 -1.365 7.593 -2.243 821 1HD2 ASN 108 1HD2 ASN 108 -3.285 7.466 -3.441 822 2HD2 ASN 108 2HD2 ASN 108 -4.108 8.881 -3.998 823 H GLY 109 H GLY 109 -1.403 8.977 1.754 824 1HA GLY 109 1HA GLY 109 -2.431 11.491 1.878 825 2HA GLY 109 2HA GLY 109 -3.741 10.484 2.481 826 H ILE 110 H ILE 110 -1.465 12.426 3.527 827 HA ILE 110 HA ILE 110 -0.736 10.730 5.832 828 HB ILE 110 HB ILE 110 0.727 13.138 4.724 829 1HG1 ILE 110 1HG1 ILE 110 0.964 11.101 3.346 830 2HG1 ILE 110 2HG1 ILE 110 2.484 11.560 4.107 831 1HG2 ILE 110 1HG2 ILE 110 1.430 11.356 7.054 832 2HG2 ILE 110 2HG2 ILE 110 0.947 13.051 7.132 833 3HG2 ILE 110 3HG2 ILE 110 2.473 12.602 6.369 834 1HD1 ILE 110 1HD1 ILE 110 2.158 9.158 4.169 835 2HD1 ILE 110 2HD1 ILE 110 0.632 9.370 5.032 836 3HD1 ILE 110 3HD1 ILE 110 2.154 9.829 5.800 837 H HIS 111 H HIS 111 -2.302 13.633 4.781 838 HA HIS 111 HA HIS 111 -2.196 14.733 7.483 839 1HB HIS 111 1HB HIS 111 -2.947 16.061 4.880 840 2HB HIS 111 2HB HIS 111 -2.989 16.857 6.452 841 HD1 HIS 111 HD1 HIS 111 -0.875 16.622 3.639 842 HD2 HIS 111 HD2 HIS 111 -0.228 16.457 7.749 843 HE1 HIS 111 HE1 HIS 111 1.576 17.089 3.964 844 HE2 HIS 111 HE2 HIS 111 1.976 16.833 6.438 845 HA PRO 112 HA PRO 112 -6.883 14.767 6.975 846 1HB PRO 112 1HB PRO 112 -7.755 13.583 4.502 847 2HB PRO 112 2HB PRO 112 -7.977 15.242 5.059 848 1HG PRO 112 1HG PRO 112 -6.384 14.534 2.938 849 2HG PRO 112 2HG PRO 112 -6.166 16.004 3.897 850 1HD PRO 112 1HD PRO 112 -4.691 13.406 4.046 851 2HD PRO 112 2HD PRO 112 -4.075 15.067 4.209 852 H TRP 113 H TRP 113 -7.586 13.253 8.311 853 HA TRP 113 HA TRP 113 -6.805 10.482 7.808 854 1HB TRP 113 1HB TRP 113 -6.103 11.507 9.930 855 2HB TRP 113 2HB TRP 113 -7.782 11.816 10.339 856 HD1 TRP 113 HD1 TRP 113 -8.006 10.320 12.437 857 HE1 TRP 113 HE1 TRP 113 -7.839 7.789 12.882 858 HE3 TRP 113 HE3 TRP 113 -6.079 8.820 7.929 859 HZ2 TRP 113 HZ2 TRP 113 -7.011 5.475 11.506 860 HZ3 TRP 113 HZ3 TRP 113 -5.641 6.427 7.582 861 HH2 TRP 113 HH2 TRP 113 -6.100 4.791 9.333 862 H ALA 114 H ALA 114 -9.631 12.378 8.841 863 HA ALA 114 HA ALA 114 -11.489 10.288 8.849 864 1HB ALA 114 1HB ALA 114 -11.940 12.505 9.801 865 2HB ALA 114 2HB ALA 114 -13.202 12.013 8.670 866 3HB ALA 114 3HB ALA 114 -11.983 13.189 8.177 867 H GLU 115 H GLU 115 -10.280 12.291 6.228 868 HA GLU 115 HA GLU 115 -12.115 11.284 4.286 869 1HB GLU 115 1HB GLU 115 -9.536 12.829 3.999 870 2HB GLU 115 2HB GLU 115 -10.610 12.437 2.665 871 1HG GLU 115 1HG GLU 115 -12.414 13.687 3.760 872 2HG GLU 115 2HG GLU 115 -11.303 14.121 5.058 873 H LEU 116 H LEU 116 -8.733 10.593 5.163 874 HA LEU 116 HA LEU 116 -8.181 8.747 3.138 875 1HB LEU 116 1HB LEU 116 -6.533 9.698 4.750 876 2HB LEU 116 2HB LEU 116 -7.201 8.658 5.992 877 HG LEU 116 HG LEU 116 -6.512 6.676 4.695 878 1HD1 LEU 116 1HD1 LEU 116 -4.981 6.957 2.802 879 2HD1 LEU 116 2HD1 LEU 116 -5.239 8.701 2.860 880 3HD1 LEU 116 3HD1 LEU 116 -6.579 7.622 2.463 881 1HD2 LEU 116 1HD2 LEU 116 -4.301 8.651 5.244 882 2HD2 LEU 116 2HD2 LEU 116 -4.112 6.903 5.093 883 3HD2 LEU 116 3HD2 LEU 116 -5.052 7.576 6.423 884 H ILE 117 H ILE 117 -9.644 8.243 6.338 885 HA ILE 117 HA ILE 117 -9.931 5.450 6.175 886 HB ILE 117 HB ILE 117 -11.744 7.403 7.616 887 1HG1 ILE 117 1HG1 ILE 117 -9.337 5.881 8.638 888 2HG1 ILE 117 2HG1 ILE 117 -9.372 7.606 8.281 889 1HG2 ILE 117 1HG2 ILE 117 -11.325 4.441 8.013 890 2HG2 ILE 117 2HG2 ILE 117 -12.773 5.218 7.371 891 3HG2 ILE 117 3HG2 ILE 117 -12.301 5.484 9.049 892 1HD1 ILE 117 1HD1 ILE 117 -11.009 6.202 10.382 893 2HD1 ILE 117 2HD1 ILE 117 -11.055 7.929 10.020 894 3HD1 ILE 117 3HD1 ILE 117 -9.581 7.199 10.659 895 H ASN 118 H ASN 118 -12.166 8.063 5.356 896 HA ASN 118 HA ASN 118 -14.421 6.651 4.637 897 1HB ASN 118 1HB ASN 118 -14.164 9.148 4.754 898 2HB ASN 118 2HB ASN 118 -13.375 9.086 3.190 899 1HD2 ASN 118 1HD2 ASN 118 -14.906 10.282 2.143 900 2HD2 ASN 118 2HD2 ASN 118 -16.497 9.694 1.807 901 H LEU 119 H LEU 119 -11.858 7.763 2.468 902 HA LEU 119 HA LEU 119 -12.868 6.545 0.151 903 1HB LEU 119 1HB LEU 119 -10.017 7.286 0.807 904 2HB LEU 119 2HB LEU 119 -10.637 6.948 -0.793 905 HG LEU 119 HG LEU 119 -11.488 9.255 0.954 906 1HD1 LEU 119 1HD1 LEU 119 -9.223 9.517 0.098 907 2HD1 LEU 119 2HD1 LEU 119 -10.331 10.639 -0.690 908 3HD1 LEU 119 3HD1 LEU 119 -9.794 9.189 -1.537 909 1HD2 LEU 119 1HD2 LEU 119 -13.316 8.521 -0.445 910 2HD2 LEU 119 2HD2 LEU 119 -12.263 8.499 -1.858 911 3HD2 LEU 119 3HD2 LEU 119 -12.658 10.031 -1.076 912 H MET 120 H MET 120 -10.531 5.399 2.543 913 HA MET 120 HA MET 120 -9.724 3.050 1.190 914 1HB MET 120 1HB MET 120 -8.735 4.208 3.273 915 2HB MET 120 2HB MET 120 -9.932 3.298 4.180 916 1HG MET 120 1HG MET 120 -8.002 1.974 2.314 917 2HG MET 120 2HG MET 120 -7.597 2.327 3.991 918 1HE MET 120 1HE MET 120 -7.521 -0.522 2.576 919 2HE MET 120 2HE MET 120 -8.153 -1.535 3.876 920 3HE MET 120 3HE MET 120 -7.019 -0.233 4.243 921 H ARG 121 H ARG 121 -12.233 3.588 3.637 922 HA ARG 121 HA ARG 121 -13.169 0.933 3.705 923 1HB ARG 121 1HB ARG 121 -13.650 2.662 5.423 924 2HB ARG 121 2HB ARG 121 -14.701 3.477 4.277 925 1HG ARG 121 1HG ARG 121 -16.150 1.517 4.204 926 2HG ARG 121 2HG ARG 121 -15.096 0.697 5.357 927 1HD ARG 121 1HD ARG 121 -16.633 3.243 5.846 928 2HD ARG 121 2HD ARG 121 -17.036 1.650 6.481 929 HE ARG 121 HE ARG 121 -14.636 1.894 7.505 930 1HH1 ARG 121 1HH1 ARG 121 -17.048 4.428 7.163 931 2HH1 ARG 121 2HH1 ARG 121 -16.542 5.265 8.607 932 1HH2 ARG 121 1HH2 ARG 121 -13.956 2.989 9.350 933 2HH2 ARG 121 2HH2 ARG 121 -14.770 4.449 9.843 934 H GLY 122 H GLY 122 -14.026 3.714 1.730 935 1HA GLY 122 1HA GLY 122 -16.272 2.613 0.426 936 2HA GLY 122 2HA GLY 122 -15.262 3.910 -0.194 937 H LEU 123 H LEU 123 -12.843 2.238 -0.126 938 HA LEU 123 HA LEU 123 -13.220 0.999 -2.703 939 1HB LEU 123 1HB LEU 123 -10.768 1.276 -0.969 940 2HB LEU 123 2HB LEU 123 -10.775 0.594 -2.584 941 HG LEU 123 HG LEU 123 -11.508 3.439 -1.890 942 1HD1 LEU 123 1HD1 LEU 123 -9.130 3.009 -1.607 943 2HD1 LEU 123 2HD1 LEU 123 -9.422 4.021 -3.020 944 3HD1 LEU 123 3HD1 LEU 123 -9.051 2.309 -3.223 945 1HD2 LEU 123 1HD2 LEU 123 -11.210 2.080 -4.568 946 2HD2 LEU 123 2HD2 LEU 123 -11.523 3.796 -4.306 947 3HD2 LEU 123 3HD2 LEU 123 -12.727 2.597 -3.833 948 H VAL 124 H VAL 124 -12.189 -0.092 0.545 949 HA VAL 124 HA VAL 124 -11.930 -2.809 -0.318 950 HB VAL 124 HB VAL 124 -11.598 -3.375 2.037 951 1HG1 VAL 124 1HG1 VAL 124 -10.131 -0.911 1.118 952 2HG1 VAL 124 2HG1 VAL 124 -9.718 -2.587 0.752 953 3HG1 VAL 124 3HG1 VAL 124 -9.598 -1.991 2.406 954 1HG2 VAL 124 1HG2 VAL 124 -12.182 -0.470 2.585 955 2HG2 VAL 124 2HG2 VAL 124 -11.614 -1.656 3.759 956 3HG2 VAL 124 3HG2 VAL 124 -13.211 -1.830 3.032 957 H GLU 125 H GLU 125 -14.527 -0.978 1.193 958 HA GLU 125 HA GLU 125 -16.197 -3.394 1.094 959 1HB GLU 125 1HB GLU 125 -16.217 -1.986 3.177 960 2HB GLU 125 2HB GLU 125 -16.899 -0.676 2.227 961 1HG GLU 125 1HG GLU 125 -18.852 -2.060 1.728 962 2HG GLU 125 2HG GLU 125 -18.166 -3.364 2.697 963 HA PRO 126 HA PRO 126 -16.746 -1.360 -2.849 964 1HB PRO 126 1HB PRO 126 -17.324 -3.520 -4.324 965 2HB PRO 126 2HB PRO 126 -15.694 -3.199 -3.719 966 1HG PRO 126 1HG PRO 126 -17.770 -5.082 -2.683 967 2HG PRO 126 2HG PRO 126 -16.018 -5.312 -2.826 968 1HD PRO 126 1HD PRO 126 -17.330 -4.625 -0.493 969 2HD PRO 126 2HD PRO 126 -15.615 -4.310 -0.813 970 H GLN 127 H GLN 127 -18.477 -0.127 -2.985 971 HA GLN 127 HA GLN 127 -21.088 -1.380 -3.387 972 1HB GLN 127 1HB GLN 127 -20.973 0.655 -1.938 973 2HB GLN 127 2HB GLN 127 -20.367 1.560 -3.320 974 1HG GLN 127 1HG GLN 127 -22.454 1.100 -4.517 975 2HG GLN 127 2HG GLN 127 -23.057 0.235 -3.105 976 1HE2 GLN 127 1HE2 GLN 127 -24.124 2.590 -4.435 977 2HE2 GLN 127 2HE2 GLN 127 -24.203 3.830 -3.228 978 H GLN 128 H GLN 128 -18.413 -0.060 -4.866 979 HA GLN 128 HA GLN 128 -17.671 0.227 -6.960 980 1HB GLN 128 1HB GLN 128 -19.842 -1.770 -7.588 981 2HB GLN 128 2HB GLN 128 -18.566 -1.289 -8.695 982 1HG GLN 128 1HG GLN 128 -16.919 -2.083 -6.968 983 2HG GLN 128 2HG GLN 128 -18.289 -2.777 -6.102 984 1HE2 GLN 128 1HE2 GLN 128 -19.368 -4.552 -6.995 985 2HE2 GLN 128 2HE2 GLN 128 -18.673 -5.502 -8.264 986 H GLU 129 H GLU 129 -18.181 2.389 -7.153 987 HA GLU 129 HA GLU 129 -20.556 3.003 -8.749 988 1HB GLU 129 1HB GLU 129 -18.583 4.686 -7.238 989 2HB GLU 129 2HB GLU 129 -19.582 5.404 -8.497 990 1HG GLU 129 1HG GLU 129 -20.643 3.906 -6.111 991 2HG GLU 129 2HG GLU 129 -20.524 5.660 -6.232 992 H ARG 130 H ARG 130 -20.396 2.789 -10.823 993 HA ARG 130 HA ARG 130 -19.677 2.985 -12.959 994 1HB ARG 130 1HB ARG 130 -18.681 5.152 -12.441 995 2HB ARG 130 2HB ARG 130 -17.242 4.354 -11.823 996 1HG ARG 130 1HG ARG 130 -16.869 3.413 -14.096 997 2HG ARG 130 2HG ARG 130 -18.216 4.397 -14.670 998 1HD ARG 130 1HD ARG 130 -15.718 5.448 -13.344 999 2HD ARG 130 2HD ARG 130 -16.035 5.462 -15.077 1000 HE ARG 130 HE ARG 130 -18.105 6.845 -14.320 1001 1HH1 ARG 130 1HH1 ARG 130 -14.916 6.956 -12.877 1002 2HH1 ARG 130 2HH1 ARG 130 -15.004 8.641 -12.476 1003 1HH2 ARG 130 1HH2 ARG 130 -18.233 9.080 -13.791 1004 2HH2 ARG 130 2HH2 ARG 130 -16.882 9.856 -13.009 1005 H ALA 131 H ALA 131 -17.055 2.181 -10.789 1006 HA ALA 131 HA ALA 131 -15.573 0.468 -10.672 1007 1HB ALA 131 1HB ALA 131 -17.614 -1.029 -12.315 1008 2HB ALA 131 2HB ALA 131 -17.599 -0.902 -10.555 1009 3HB ALA 131 3HB ALA 131 -16.293 -1.745 -11.389 1010 H SER 132 H SER 132 -13.862 1.322 -11.767 1011 HA SER 132 HA SER 132 -13.629 0.508 -14.589 1012 1HB SER 132 1HB SER 132 -12.647 3.108 -13.393 1013 2HB SER 132 2HB SER 132 -12.489 2.610 -15.078 1014 HG SER 132 HG SER 132 -15.019 2.354 -14.524 Start of MODEL 4 1 1H MET 1 1H MET 1 16.665 7.358 -5.494 2 HA MET 1 HA MET 1 16.547 5.741 -7.820 3 1HB MET 1 1HB MET 1 17.303 8.617 -8.378 4 2HB MET 1 2HB MET 1 17.554 7.282 -9.488 5 1HG MET 1 1HG MET 1 15.129 6.931 -9.593 6 2HG MET 1 2HG MET 1 14.896 8.299 -8.508 7 1HE MET 1 1HE MET 1 13.216 9.340 -10.299 8 2HE MET 1 2HE MET 1 13.506 7.998 -11.406 9 3HE MET 1 3HE MET 1 13.651 9.659 -11.980 10 H SER 2 H SER 2 18.451 4.733 -8.130 11 HA SER 2 HA SER 2 20.640 4.198 -8.080 12 1HB SER 2 1HB SER 2 21.120 7.096 -7.362 13 2HB SER 2 2HB SER 2 22.329 5.951 -7.943 14 HG SER 2 HG SER 2 20.623 5.753 -9.774 15 H ASN 3 H ASN 3 20.488 6.608 -5.436 16 HA ASN 3 HA ASN 3 21.834 4.625 -3.734 17 1HB ASN 3 1HB ASN 3 21.532 7.609 -3.341 18 2HB ASN 3 2HB ASN 3 22.455 6.524 -2.306 19 1HD2 ASN 3 1HD2 ASN 3 23.338 8.862 -3.794 20 2HD2 ASN 3 2HD2 ASN 3 24.588 8.314 -4.860 21 H ASP 4 H ASP 4 21.022 4.010 -1.768 22 HA ASP 4 HA ASP 4 18.253 4.832 -1.256 23 1HB ASP 4 1HB ASP 4 17.991 2.843 0.085 24 2HB ASP 4 2HB ASP 4 18.666 2.387 -1.472 25 H THR 5 H THR 5 17.757 6.039 0.378 26 HA THR 5 HA THR 5 19.144 5.988 2.870 27 HB THR 5 HB THR 5 19.120 8.640 1.403 28 HG1 THR 5 HG1 THR 5 20.916 6.627 1.273 29 1HG2 THR 5 1HG2 THR 5 20.482 9.408 3.295 30 2HG2 THR 5 2HG2 THR 5 20.325 7.818 4.044 31 3HG2 THR 5 3HG2 THR 5 18.900 8.834 3.826 32 HA PRO 6 HA PRO 6 14.965 8.416 3.052 33 1HB PRO 6 1HB PRO 6 13.682 8.804 0.673 34 2HB PRO 6 2HB PRO 6 14.710 10.022 1.433 35 1HG PRO 6 1HG PRO 6 15.350 8.119 -0.784 36 2HG PRO 6 2HG PRO 6 15.783 9.830 -0.616 37 1HD PRO 6 1HD PRO 6 17.530 7.836 -0.094 38 2HD PRO 6 2HD PRO 6 17.545 9.374 0.797 39 H PHE 7 H PHE 7 15.336 6.253 0.260 40 HA PHE 7 HA PHE 7 12.993 4.744 0.681 41 1HB PHE 7 1HB PHE 7 14.136 4.672 -1.459 42 2HB PHE 7 2HB PHE 7 15.582 4.007 -0.706 43 HD1 PHE 7 HD1 PHE 7 11.986 3.270 -1.306 44 HD2 PHE 7 HD2 PHE 7 15.881 1.712 -0.582 45 HE1 PHE 7 HE1 PHE 7 11.143 0.993 -1.701 46 HE2 PHE 7 HE2 PHE 7 15.044 -0.568 -0.975 47 HZ PHE 7 HZ PHE 7 12.670 -0.930 -1.534 48 H ASP 8 H ASP 8 16.315 4.374 1.829 49 HA ASP 8 HA ASP 8 16.052 1.911 3.142 50 1HB ASP 8 1HB ASP 8 18.200 3.128 2.821 51 2HB ASP 8 2HB ASP 8 17.691 4.293 4.024 52 H ALA 9 H ALA 9 15.775 5.191 4.351 53 HA ALA 9 HA ALA 9 14.810 4.663 6.912 54 1HB ALA 9 1HB ALA 9 15.528 6.883 6.158 55 2HB ALA 9 2HB ALA 9 13.935 6.933 6.910 56 3HB ALA 9 3HB ALA 9 14.083 7.006 5.155 57 H LEU 10 H LEU 10 12.990 5.099 3.896 58 HA LEU 10 HA LEU 10 10.403 4.847 4.854 59 1HB LEU 10 1HB LEU 10 11.741 4.599 2.300 60 2HB LEU 10 2HB LEU 10 10.448 3.427 2.441 61 HG LEU 10 HG LEU 10 9.582 5.374 1.367 62 1HD1 LEU 10 1HD1 LEU 10 7.776 5.986 2.885 63 2HD1 LEU 10 2HD1 LEU 10 8.674 5.305 4.239 64 3HD1 LEU 10 3HD1 LEU 10 8.100 4.255 2.946 65 1HD2 LEU 10 1HD2 LEU 10 10.594 6.931 3.739 66 2HD2 LEU 10 2HD2 LEU 10 9.609 7.576 2.427 67 3HD2 LEU 10 3HD2 LEU 10 11.237 6.991 2.098 68 H TRP 11 H TRP 11 12.550 2.266 3.673 69 HA TRP 11 HA TRP 11 10.696 0.212 4.224 70 1HB TRP 11 1HB TRP 11 13.116 0.366 2.885 71 2HB TRP 11 2HB TRP 11 13.467 -0.685 4.257 72 HD1 TRP 11 HD1 TRP 11 9.970 -1.243 3.587 73 HE1 TRP 11 HE1 TRP 11 9.587 -3.302 2.099 74 HE3 TRP 11 HE3 TRP 11 14.744 -1.921 1.866 75 HZ2 TRP 11 HZ2 TRP 11 11.082 -4.983 0.425 76 HZ3 TRP 11 HZ3 TRP 11 15.171 -3.790 0.320 77 HH2 TRP 11 HH2 TRP 11 13.372 -5.289 -0.383 78 H GLN 12 H GLN 12 13.284 1.651 6.148 79 HA GLN 12 HA GLN 12 13.302 -0.232 8.223 80 1HB GLN 12 1HB GLN 12 13.925 2.710 8.129 81 2HB GLN 12 2HB GLN 12 14.056 1.787 9.610 82 1HG GLN 12 1HG GLN 12 15.581 1.312 7.064 83 2HG GLN 12 2HG GLN 12 16.216 1.972 8.573 84 1HE2 GLN 12 1HE2 GLN 12 15.254 -0.875 6.873 85 2HE2 GLN 12 2HE2 GLN 12 15.799 -2.024 8.047 86 H ARG 13 H ARG 13 11.253 2.593 7.660 87 HA ARG 13 HA ARG 13 9.734 2.481 10.024 88 1HB ARG 13 1HB ARG 13 8.902 3.327 7.240 89 2HB ARG 13 2HB ARG 13 7.966 3.624 8.694 90 1HG ARG 13 1HG ARG 13 10.738 4.688 8.221 91 2HG ARG 13 2HG ARG 13 9.255 5.575 7.877 92 1HD ARG 13 1HD ARG 13 8.635 5.216 10.304 93 2HD ARG 13 2HD ARG 13 10.292 4.659 10.545 94 HE ARG 13 HE ARG 13 10.025 7.251 9.280 95 1HH1 ARG 13 1HH1 ARG 13 10.420 5.509 12.285 96 2HH1 ARG 13 2HH1 ARG 13 11.086 6.871 13.130 97 1HH2 ARG 13 1HH2 ARG 13 10.896 9.051 10.375 98 2HH2 ARG 13 2HH2 ARG 13 11.374 8.887 12.044 99 H MET 14 H MET 14 9.141 1.124 6.832 100 HA MET 14 HA MET 14 6.727 -0.176 7.398 101 1HB MET 14 1HB MET 14 8.818 -0.827 5.306 102 2HB MET 14 2HB MET 14 7.149 -1.386 5.290 103 1HG MET 14 1HG MET 14 6.309 0.709 4.804 104 2HG MET 14 2HG MET 14 7.732 1.539 5.423 105 1HE MET 14 1HE MET 14 6.127 -0.392 2.432 106 2HE MET 14 2HE MET 14 7.452 -1.475 2.856 107 3HE MET 14 3HE MET 14 7.494 -0.590 1.332 108 H LEU 15 H LEU 15 10.063 -1.218 7.751 109 HA LEU 15 HA LEU 15 9.430 -3.968 8.253 110 1HB LEU 15 1HB LEU 15 11.858 -2.304 8.209 111 2HB LEU 15 2HB LEU 15 11.911 -3.647 9.331 112 HG LEU 15 HG LEU 15 12.901 -4.253 7.177 113 1HD1 LEU 15 1HD1 LEU 15 11.612 -6.290 6.751 114 2HD1 LEU 15 2HD1 LEU 15 10.277 -5.640 7.702 115 3HD1 LEU 15 3HD1 LEU 15 11.820 -5.999 8.478 116 1HD2 LEU 15 1HD2 LEU 15 10.167 -3.706 6.039 117 2HD2 LEU 15 2HD2 LEU 15 11.524 -4.431 5.173 118 3HD2 LEU 15 3HD2 LEU 15 11.626 -2.761 5.735 119 H ALA 16 H ALA 16 9.871 -1.109 10.239 120 HA ALA 16 HA ALA 16 9.969 -2.438 12.740 121 1HB ALA 16 1HB ALA 16 10.664 -0.113 12.485 122 2HB ALA 16 2HB ALA 16 9.402 -0.263 13.706 123 3HB ALA 16 3HB ALA 16 9.007 0.348 12.101 124 H ARG 17 H ARG 17 7.430 -1.709 10.548 125 HA ARG 17 HA ARG 17 5.282 -1.976 12.433 126 1HB ARG 17 1HB ARG 17 5.332 -1.953 9.418 127 2HB ARG 17 2HB ARG 17 3.865 -1.963 10.385 128 1HG ARG 17 1HG ARG 17 5.980 0.168 10.508 129 2HG ARG 17 2HG ARG 17 4.499 0.269 9.550 130 1HD ARG 17 1HD ARG 17 4.632 -0.083 12.540 131 2HD ARG 17 2HD ARG 17 4.296 1.423 11.693 132 HE ARG 17 HE ARG 17 2.416 -0.214 10.706 133 1HH1 ARG 17 1HH1 ARG 17 3.395 0.481 14.001 134 2HH1 ARG 17 2HH1 ARG 17 1.806 0.195 14.662 135 1HH2 ARG 17 1HH2 ARG 17 0.343 -0.578 11.569 136 2HH2 ARG 17 2HH2 ARG 17 0.057 -0.370 13.271 137 H GLY 18 H GLY 18 7.317 -4.166 10.892 138 1HA GLY 18 1HA GLY 18 7.338 -6.471 11.147 139 2HA GLY 18 2HA GLY 18 5.722 -6.382 11.832 140 H TRP 19 H TRP 19 6.437 -4.897 8.772 141 HA TRP 19 HA TRP 19 4.596 -6.726 7.480 142 1HB TRP 19 1HB TRP 19 5.891 -4.171 6.515 143 2HB TRP 19 2HB TRP 19 4.771 -5.137 5.560 144 HD1 TRP 19 HD1 TRP 19 2.777 -5.730 8.106 145 HE1 TRP 19 HE1 TRP 19 1.185 -3.845 8.830 146 HE3 TRP 19 HE3 TRP 19 5.220 -1.752 6.012 147 HZ2 TRP 19 HZ2 TRP 19 0.987 -1.046 8.553 148 HZ3 TRP 19 HZ3 TRP 19 4.259 0.496 6.289 149 HH2 TRP 19 HH2 TRP 19 2.186 0.840 7.533 150 H THR 20 H THR 20 5.113 -8.000 5.748 151 HA THR 20 HA THR 20 7.887 -8.874 5.805 152 HB THR 20 HB THR 20 5.497 -10.240 4.555 153 HG1 THR 20 HG1 THR 20 6.627 -10.358 7.170 154 1HG2 THR 20 1HG2 THR 20 8.216 -11.299 5.345 155 2HG2 THR 20 2HG2 THR 20 7.653 -11.029 3.697 156 3HG2 THR 20 3HG2 THR 20 6.885 -12.260 4.700 157 HA PRO 21 HA PRO 21 8.593 -7.192 1.670 158 1HB PRO 21 1HB PRO 21 11.159 -8.074 1.502 159 2HB PRO 21 2HB PRO 21 10.700 -6.606 2.372 160 1HG PRO 21 1HG PRO 21 11.289 -9.334 3.438 161 2HG PRO 21 2HG PRO 21 11.749 -7.753 4.090 162 1HD PRO 21 1HD PRO 21 9.678 -9.212 5.068 163 2HD PRO 21 2HD PRO 21 9.715 -7.438 5.106 164 H VAL 22 H VAL 22 8.009 -8.214 -0.161 165 HA VAL 22 HA VAL 22 8.651 -11.074 -0.415 166 HB VAL 22 HB VAL 22 6.328 -10.907 0.318 167 1HG1 VAL 22 1HG1 VAL 22 4.621 -9.845 -1.068 168 2HG1 VAL 22 2HG1 VAL 22 5.874 -9.256 -2.162 169 3HG1 VAL 22 3HG1 VAL 22 5.812 -8.674 -0.498 170 1HG2 VAL 22 1HG2 VAL 22 6.558 -11.693 -2.579 171 2HG2 VAL 22 2HG2 VAL 22 5.287 -12.200 -1.467 172 3HG2 VAL 22 3HG2 VAL 22 6.950 -12.709 -1.192 173 H SER 23 H SER 23 9.260 -11.728 -2.406 174 HA SER 23 HA SER 23 10.246 -9.777 -4.195 175 1HB SER 23 1HB SER 23 9.942 -12.746 -4.682 176 2HB SER 23 2HB SER 23 11.080 -11.651 -5.463 177 HG SER 23 HG SER 23 12.364 -12.253 -3.909 178 H GLU 24 H GLU 24 9.839 -9.732 -6.536 179 HA GLU 24 HA GLU 24 7.322 -8.893 -7.194 180 1HB GLU 24 1HB GLU 24 9.278 -8.379 -8.528 181 2HB GLU 24 2HB GLU 24 9.452 -10.059 -8.999 182 1HG GLU 24 1HG GLU 24 6.863 -8.875 -9.691 183 2HG GLU 24 2HG GLU 24 8.249 -8.127 -10.479 184 H SER 25 H SER 25 8.664 -12.060 -8.177 185 HA SER 25 HA SER 25 6.127 -12.872 -9.229 186 1HB SER 25 1HB SER 25 8.675 -14.456 -8.849 187 2HB SER 25 2HB SER 25 7.293 -14.936 -9.836 188 HG SER 25 HG SER 25 7.838 -12.574 -10.705 189 H ARG 26 H ARG 26 7.417 -12.910 -6.126 190 HA ARG 26 HA ARG 26 5.968 -15.316 -5.329 191 1HB ARG 26 1HB ARG 26 8.255 -14.836 -4.408 192 2HB ARG 26 2HB ARG 26 7.583 -13.425 -3.604 193 1HG ARG 26 1HG ARG 26 7.790 -15.262 -2.049 194 2HG ARG 26 2HG ARG 26 6.087 -14.883 -2.315 195 1HD ARG 26 1HD ARG 26 5.932 -16.750 -3.902 196 2HD ARG 26 2HD ARG 26 7.628 -17.131 -3.612 197 HE ARG 26 HE ARG 26 6.396 -17.149 -1.138 198 1HH1 ARG 26 1HH1 ARG 26 6.132 -18.927 -4.152 199 2HH1 ARG 26 2HH1 ARG 26 5.553 -20.371 -3.377 200 1HH2 ARG 26 1HH2 ARG 26 5.658 -19.053 -0.135 201 2HH2 ARG 26 2HH2 ARG 26 5.302 -20.454 -1.106 202 H LEU 27 H LEU 27 5.691 -11.901 -5.397 203 HA LEU 27 HA LEU 27 3.806 -11.433 -3.393 204 1HB LEU 27 1HB LEU 27 5.021 -9.688 -4.667 205 2HB LEU 27 2HB LEU 27 4.076 -10.076 -6.085 206 HG LEU 27 HG LEU 27 3.452 -7.991 -4.711 207 1HD1 LEU 27 1HD1 LEU 27 1.327 -10.005 -5.420 208 2HD1 LEU 27 2HD1 LEU 27 2.068 -8.835 -6.513 209 3HD1 LEU 27 3HD1 LEU 27 1.071 -8.278 -5.170 210 1HD2 LEU 27 1HD2 LEU 27 2.195 -10.116 -2.984 211 2HD2 LEU 27 2HD2 LEU 27 1.882 -8.383 -2.879 212 3HD2 LEU 27 3HD2 LEU 27 3.489 -9.013 -2.512 213 H ASP 28 H ASP 28 3.420 -12.482 -6.746 214 HA ASP 28 HA ASP 28 0.588 -12.336 -6.790 215 1HB ASP 28 1HB ASP 28 1.852 -12.363 -8.862 216 2HB ASP 28 2HB ASP 28 2.518 -13.947 -8.476 217 H ASP 29 H ASP 29 2.868 -14.865 -5.993 218 HA ASP 29 HA ASP 29 1.107 -17.058 -5.916 219 1HB ASP 29 1HB ASP 29 3.670 -17.001 -5.916 220 2HB ASP 29 2HB ASP 29 3.551 -16.728 -4.191 221 H TRP 30 H TRP 30 2.489 -15.146 -3.285 222 HA TRP 30 HA TRP 30 0.937 -16.394 -1.268 223 1HB TRP 30 1HB TRP 30 3.139 -15.151 -0.956 224 2HB TRP 30 2HB TRP 30 2.204 -13.663 -1.045 225 HD1 TRP 30 HD1 TRP 30 0.695 -16.630 0.805 226 HE1 TRP 30 HE1 TRP 30 0.642 -16.112 3.328 227 HE3 TRP 30 HE3 TRP 30 3.453 -12.316 0.811 228 HZ2 TRP 30 HZ2 TRP 30 1.643 -14.146 5.079 229 HZ3 TRP 30 HZ3 TRP 30 3.862 -11.185 2.960 230 HH2 TRP 30 HH2 TRP 30 2.973 -12.083 5.050 231 H LEU 31 H LEU 31 0.433 -13.546 -3.268 232 HA LEU 31 HA LEU 31 -1.657 -12.390 -1.784 233 1HB LEU 31 1HB LEU 31 -0.426 -11.253 -3.615 234 2HB LEU 31 2HB LEU 31 -1.240 -12.287 -4.771 235 HG LEU 31 HG LEU 31 -3.411 -11.319 -4.086 236 1HD1 LEU 31 1HD1 LEU 31 -3.441 -9.302 -2.705 237 2HD1 LEU 31 2HD1 LEU 31 -1.711 -9.476 -2.409 238 3HD1 LEU 31 3HD1 LEU 31 -2.838 -10.693 -1.802 239 1HD2 LEU 31 1HD2 LEU 31 -2.203 -10.408 -5.997 240 2HD2 LEU 31 2HD2 LEU 31 -1.334 -9.302 -4.931 241 3HD2 LEU 31 3HD2 LEU 31 -3.078 -9.140 -5.139 242 H THR 32 H THR 32 -1.706 -14.843 -4.365 243 HA THR 32 HA THR 32 -4.560 -14.873 -4.481 244 HB THR 32 HB THR 32 -3.126 -15.578 -6.405 245 HG1 THR 32 HG1 THR 32 -5.428 -16.506 -5.620 246 1HG2 THR 32 1HG2 THR 32 -2.734 -18.080 -4.758 247 2HG2 THR 32 2HG2 THR 32 -1.479 -16.927 -5.212 248 3HG2 THR 32 3HG2 THR 32 -2.289 -17.884 -6.454 249 H GLN 33 H GLN 33 -2.163 -16.531 -2.573 250 HA GLN 33 HA GLN 33 -3.987 -18.484 -1.514 251 1HB GLN 33 1HB GLN 33 -1.256 -17.526 -0.690 252 2HB GLN 33 2HB GLN 33 -2.159 -18.697 0.258 253 1HG GLN 33 1HG GLN 33 -2.201 -20.231 -1.603 254 2HG GLN 33 2HG GLN 33 -1.390 -19.043 -2.626 255 1HE2 GLN 33 1HE2 GLN 33 0.782 -18.664 -2.362 256 2HE2 GLN 33 2HE2 GLN 33 1.801 -19.699 -1.431 257 H ALA 34 H ALA 34 -3.371 -15.184 -0.927 258 HA ALA 34 HA ALA 34 -4.281 -15.195 1.822 259 1HB ALA 34 1HB ALA 34 -2.515 -13.658 1.134 260 2HB ALA 34 2HB ALA 34 -3.930 -12.777 1.708 261 3HB ALA 34 3HB ALA 34 -3.611 -12.903 -0.023 262 HA PRO 35 HA PRO 35 -8.550 -14.261 0.941 263 1HB PRO 35 1HB PRO 35 -8.641 -12.441 3.228 264 2HB PRO 35 2HB PRO 35 -9.428 -14.008 3.024 265 1HG PRO 35 1HG PRO 35 -7.385 -13.610 4.756 266 2HG PRO 35 2HG PRO 35 -7.663 -15.160 3.941 267 1HD PRO 35 1HD PRO 35 -5.689 -13.003 3.294 268 2HD PRO 35 2HD PRO 35 -5.477 -14.767 3.269 269 H ASP 36 H ASP 36 -7.165 -11.350 2.421 270 HA ASP 36 HA ASP 36 -7.473 -9.857 -0.064 271 1HB ASP 36 1HB ASP 36 -8.646 -8.983 2.598 272 2HB ASP 36 2HB ASP 36 -8.500 -7.945 1.189 273 H GLY 37 H GLY 37 -6.318 -7.618 0.267 274 1HA GLY 37 1HA GLY 37 -4.512 -7.278 2.385 275 2HA GLY 37 2HA GLY 37 -3.697 -8.192 1.127 276 H VAL 38 H VAL 38 -2.400 -6.104 1.534 277 HA VAL 38 HA VAL 38 -3.107 -4.214 -0.586 278 HB VAL 38 HB VAL 38 -2.345 -2.304 0.807 279 1HG1 VAL 38 1HG1 VAL 38 -4.702 -3.806 1.933 280 2HG1 VAL 38 2HG1 VAL 38 -4.724 -2.694 0.564 281 3HG1 VAL 38 3HG1 VAL 38 -4.363 -2.094 2.182 282 1HG2 VAL 38 1HG2 VAL 38 -2.249 -2.570 3.255 283 2HG2 VAL 38 2HG2 VAL 38 -0.988 -3.479 2.425 284 3HG2 VAL 38 3HG2 VAL 38 -2.408 -4.314 3.053 285 H VAL 39 H VAL 39 -1.325 -3.203 -1.550 286 HA VAL 39 HA VAL 39 1.300 -4.336 -0.812 287 HB VAL 39 HB VAL 39 0.342 -3.603 -3.590 288 1HG1 VAL 39 1HG1 VAL 39 2.723 -3.183 -3.319 289 2HG1 VAL 39 2HG1 VAL 39 2.465 -4.594 -4.348 290 3HG1 VAL 39 3HG1 VAL 39 2.954 -4.804 -2.665 291 1HG2 VAL 39 1HG2 VAL 39 -0.688 -5.661 -2.760 292 2HG2 VAL 39 2HG2 VAL 39 0.909 -6.312 -2.385 293 3HG2 VAL 39 3HG2 VAL 39 0.455 -5.995 -4.060 294 H LEU 40 H LEU 40 2.838 -2.904 -0.314 295 HA LEU 40 HA LEU 40 2.285 -0.067 -0.790 296 1HB LEU 40 1HB LEU 40 4.231 -1.451 1.053 297 2HB LEU 40 2HB LEU 40 4.229 0.281 0.792 298 HG LEU 40 HG LEU 40 1.800 0.244 1.599 299 1HD1 LEU 40 1HD1 LEU 40 1.412 -2.154 1.392 300 2HD1 LEU 40 2HD1 LEU 40 1.175 -1.612 3.053 301 3HD1 LEU 40 3HD1 LEU 40 2.651 -2.466 2.606 302 1HD2 LEU 40 1HD2 LEU 40 4.012 -0.488 3.511 303 2HD2 LEU 40 2HD2 LEU 40 2.487 0.281 3.947 304 3HD2 LEU 40 3HD2 LEU 40 3.643 1.132 2.919 305 H LEU 41 H LEU 41 3.427 1.123 -2.169 306 HA LEU 41 HA LEU 41 5.272 -0.255 -3.909 307 1HB LEU 41 1HB LEU 41 4.260 2.585 -3.954 308 2HB LEU 41 2HB LEU 41 5.248 1.854 -5.203 309 HG LEU 41 HG LEU 41 2.464 0.975 -4.433 310 1HD1 LEU 41 1HD1 LEU 41 1.834 1.848 -6.636 311 2HD1 LEU 41 2HD1 LEU 41 3.472 2.462 -6.853 312 3HD1 LEU 41 3HD1 LEU 41 2.451 3.114 -5.575 313 1HD2 LEU 41 1HD2 LEU 41 4.283 0.025 -6.646 314 2HD2 LEU 41 2HD2 LEU 41 2.607 -0.466 -6.407 315 3HD2 LEU 41 3HD2 LEU 41 3.828 -0.890 -5.208 316 H SER 42 H SER 42 5.493 2.920 -2.288 317 HA SER 42 HA SER 42 7.262 4.140 -1.542 318 1HB SER 42 1HB SER 42 8.427 1.402 -0.972 319 2HB SER 42 2HB SER 42 8.999 2.923 -0.285 320 HG SER 42 HG SER 42 7.607 1.952 1.174 321 H SER 43 H SER 43 7.161 3.590 -4.317 322 HA SER 43 HA SER 43 9.728 2.719 -5.234 323 1HB SER 43 1HB SER 43 8.523 3.592 -7.466 324 2HB SER 43 2HB SER 43 8.151 2.034 -6.721 325 HG SER 43 HG SER 43 6.545 4.168 -7.066 326 H ASP 44 H ASP 44 8.079 5.607 -6.509 327 HA ASP 44 HA ASP 44 10.525 7.158 -6.069 328 1HB ASP 44 1HB ASP 44 10.774 5.918 -8.213 329 2HB ASP 44 2HB ASP 44 9.324 6.715 -8.811 330 HA PRO 45 HA PRO 45 7.012 9.922 -5.505 331 1HB PRO 45 1HB PRO 45 8.075 11.394 -3.551 332 2HB PRO 45 2HB PRO 45 7.532 9.738 -3.265 333 1HG PRO 45 1HG PRO 45 10.295 10.796 -3.582 334 2HG PRO 45 2HG PRO 45 9.707 9.480 -2.554 335 1HD PRO 45 1HD PRO 45 10.964 9.210 -5.056 336 2HD PRO 45 2HD PRO 45 10.086 7.940 -4.180 337 H LYS 46 H LYS 46 6.514 11.974 -6.191 338 HA LYS 46 HA LYS 46 8.732 13.610 -7.232 339 1HB LYS 46 1HB LYS 46 7.187 12.762 -8.973 340 2HB LYS 46 2HB LYS 46 5.855 13.555 -8.149 341 1HG LYS 46 1HG LYS 46 7.325 15.695 -8.438 342 2HG LYS 46 2HG LYS 46 8.086 14.751 -9.719 343 1HD LYS 46 1HD LYS 46 5.939 14.445 -10.807 344 2HD LYS 46 2HD LYS 46 5.127 15.298 -9.494 345 1HE LYS 46 1HE LYS 46 6.586 17.285 -10.052 346 2HE LYS 46 2HE LYS 46 7.067 16.414 -11.507 347 1HZ LYS 46 1HZ LYS 46 5.284 17.871 -12.061 348 2HZ LYS 46 2HZ LYS 46 4.334 17.316 -10.778 349 3HZ LYS 46 3HZ LYS 46 4.664 16.292 -12.091 350 H ARG 47 H ARG 47 5.356 13.990 -6.153 351 HA ARG 47 HA ARG 47 5.967 16.723 -5.328 352 1HB ARG 47 1HB ARG 47 3.886 15.812 -6.729 353 2HB ARG 47 2HB ARG 47 3.221 15.573 -5.119 354 1HG ARG 47 1HG ARG 47 3.625 17.958 -4.632 355 2HG ARG 47 2HG ARG 47 4.206 18.167 -6.283 356 1HD ARG 47 1HD ARG 47 2.016 18.834 -6.492 357 2HD ARG 47 2HD ARG 47 1.895 17.129 -6.919 358 HE ARG 47 HE ARG 47 1.450 17.766 -4.119 359 1HH1 ARG 47 1HH1 ARG 47 0.023 17.041 -7.247 360 2HH1 ARG 47 2HH1 ARG 47 -1.580 16.839 -6.604 361 1HH2 ARG 47 1HH2 ARG 47 -0.668 17.524 -3.283 362 2HH2 ARG 47 2HH2 ARG 47 -1.973 17.086 -4.355 363 H THR 48 H THR 48 5.956 13.720 -3.977 364 HA THR 48 HA THR 48 4.709 14.300 -1.456 365 HB THR 48 HB THR 48 6.582 12.011 -2.067 366 HG1 THR 48 HG1 THR 48 4.039 11.256 -2.255 367 1HG2 THR 48 1HG2 THR 48 6.004 12.309 0.292 368 2HG2 THR 48 2HG2 THR 48 5.257 10.850 -0.355 369 3HG2 THR 48 3HG2 THR 48 4.288 12.303 -0.119 370 HA PRO 49 HA PRO 49 8.358 16.491 -0.032 371 1HB PRO 49 1HB PRO 49 6.864 16.761 2.475 372 2HB PRO 49 2HB PRO 49 7.428 18.014 1.368 373 1HG PRO 49 1HG PRO 49 4.820 17.402 1.626 374 2HG PRO 49 2HG PRO 49 5.520 17.922 0.083 375 1HD PRO 49 1HD PRO 49 4.830 15.157 1.013 376 2HD PRO 49 2HD PRO 49 4.578 15.906 -0.579 377 H GLU 50 H GLU 50 6.694 13.990 1.820 378 HA GLU 50 HA GLU 50 9.172 12.875 2.728 379 1HB GLU 50 1HB GLU 50 7.906 14.790 4.374 380 2HB GLU 50 2HB GLU 50 7.545 13.225 5.088 381 1HG GLU 50 1HG GLU 50 10.277 14.323 4.463 382 2HG GLU 50 2HG GLU 50 9.548 14.159 6.061 383 H VAL 51 H VAL 51 8.674 10.903 1.995 384 HA VAL 51 HA VAL 51 6.031 9.813 2.108 385 HB VAL 51 HB VAL 51 8.553 8.248 1.578 386 1HG1 VAL 51 1HG1 VAL 51 6.563 6.907 1.840 387 2HG1 VAL 51 2HG1 VAL 51 7.071 6.899 0.153 388 3HG1 VAL 51 3HG1 VAL 51 5.707 7.895 0.660 389 1HG2 VAL 51 1HG2 VAL 51 6.976 9.916 -0.378 390 2HG2 VAL 51 2HG2 VAL 51 8.257 8.783 -0.807 391 3HG2 VAL 51 3HG2 VAL 51 8.630 10.212 0.158 392 H SER 52 H SER 52 8.929 9.549 4.065 393 HA SER 52 HA SER 52 8.021 7.346 5.615 394 1HB SER 52 1HB SER 52 10.065 8.547 6.986 395 2HB SER 52 2HB SER 52 10.268 7.324 5.739 396 HG SER 52 HG SER 52 10.440 10.148 5.514 397 H ASP 53 H ASP 53 6.954 10.434 5.515 398 HA ASP 53 HA ASP 53 7.064 11.230 8.250 399 1HB ASP 53 1HB ASP 53 6.831 12.705 6.152 400 2HB ASP 53 2HB ASP 53 5.119 12.302 6.219 401 H ASN 54 H ASN 54 6.259 9.239 9.138 402 HA ASN 54 HA ASN 54 4.756 8.048 10.312 403 1HB ASN 54 1HB ASN 54 3.980 10.243 11.131 404 2HB ASN 54 2HB ASN 54 2.832 10.324 9.794 405 1HD2 ASN 54 1HD2 ASN 54 1.041 10.369 11.139 406 2HD2 ASN 54 2HD2 ASN 54 0.520 8.988 12.046 407 HA PRO 55 HA PRO 55 2.394 6.239 6.877 408 1HB PRO 55 1HB PRO 55 3.913 4.088 6.413 409 2HB PRO 55 2HB PRO 55 4.345 5.670 5.757 410 1HG PRO 55 1HG PRO 55 5.564 4.162 7.992 411 2HG PRO 55 2HG PRO 55 6.295 5.350 6.904 412 1HD PRO 55 1HD PRO 55 5.311 5.778 9.557 413 2HD PRO 55 2HD PRO 55 5.975 6.983 8.435 414 H VAL 56 H VAL 56 2.757 5.830 9.999 415 HA VAL 56 HA VAL 56 2.330 3.050 10.464 416 HB VAL 56 HB VAL 56 1.968 5.434 12.294 417 1HG1 VAL 56 1HG1 VAL 56 0.690 3.552 13.146 418 2HG1 VAL 56 2HG1 VAL 56 2.129 3.801 14.138 419 3HG1 VAL 56 3HG1 VAL 56 2.086 2.490 12.957 420 1HG2 VAL 56 1HG2 VAL 56 4.152 4.753 13.196 421 2HG2 VAL 56 2HG2 VAL 56 4.249 5.192 11.491 422 3HG2 VAL 56 3HG2 VAL 56 4.256 3.494 11.968 423 H MET 57 H MET 57 0.240 5.823 10.078 424 HA MET 57 HA MET 57 -2.054 4.920 11.350 425 1HB MET 57 1HB MET 57 -3.271 6.552 9.968 426 2HB MET 57 2HB MET 57 -1.791 7.221 10.640 427 1HG MET 57 1HG MET 57 -0.676 6.787 8.470 428 2HG MET 57 2HG MET 57 -2.234 6.287 7.818 429 1HE MET 57 1HE MET 57 -1.954 8.065 5.860 430 2HE MET 57 2HE MET 57 -0.400 8.556 6.537 431 3HE MET 57 3HE MET 57 -1.612 9.774 6.132 432 H ILE 58 H ILE 58 -0.841 4.108 8.166 433 HA ILE 58 HA ILE 58 -3.190 3.058 7.042 434 HB ILE 58 HB ILE 58 -0.332 2.181 6.568 435 1HG1 ILE 58 1HG1 ILE 58 -0.685 4.577 6.151 436 2HG1 ILE 58 2HG1 ILE 58 -0.384 3.706 4.652 437 1HG2 ILE 58 1HG2 ILE 58 -2.803 1.757 4.887 438 2HG2 ILE 58 2HG2 ILE 58 -1.893 0.513 5.748 439 3HG2 ILE 58 3HG2 ILE 58 -1.154 1.371 4.392 440 1HD1 ILE 58 1HD1 ILE 58 -3.069 4.612 5.667 441 2HD1 ILE 58 2HD1 ILE 58 -2.780 3.733 4.165 442 3HD1 ILE 58 3HD1 ILE 58 -2.133 5.362 4.374 443 H GLY 59 H GLY 59 -0.717 1.588 9.100 444 1HA GLY 59 1HA GLY 59 -1.754 -1.069 8.831 445 2HA GLY 59 2HA GLY 59 -0.547 -0.536 9.994 446 H GLU 60 H GLU 60 -2.202 1.549 11.112 447 HA GLU 60 HA GLU 60 -3.542 -0.004 13.079 448 1HB GLU 60 1HB GLU 60 -3.614 2.980 12.617 449 2HB GLU 60 2HB GLU 60 -4.072 2.146 14.093 450 1HG GLU 60 1HG GLU 60 -1.313 2.222 12.895 451 2HG GLU 60 2HG GLU 60 -1.868 3.154 14.284 452 H LEU 61 H LEU 61 -4.543 1.832 10.272 453 HA LEU 61 HA LEU 61 -7.322 1.855 10.746 454 1HB LEU 61 1HB LEU 61 -6.230 3.249 9.043 455 2HB LEU 61 2HB LEU 61 -5.794 1.812 8.140 456 HG LEU 61 HG LEU 61 -8.169 1.339 7.728 457 1HD1 LEU 61 1HD1 LEU 61 -9.131 2.351 9.713 458 2HD1 LEU 61 2HD1 LEU 61 -9.858 3.028 8.257 459 3HD1 LEU 61 3HD1 LEU 61 -8.654 3.953 9.152 460 1HD2 LEU 61 1HD2 LEU 61 -6.911 2.629 6.102 461 2HD2 LEU 61 2HD2 LEU 61 -7.302 4.122 6.957 462 3HD2 LEU 61 3HD2 LEU 61 -8.579 3.189 6.177 463 H LEU 62 H LEU 62 -5.255 -0.367 8.933 464 HA LEU 62 HA LEU 62 -7.230 -2.111 8.024 465 1HB LEU 62 1HB LEU 62 -4.293 -2.267 8.398 466 2HB LEU 62 2HB LEU 62 -5.148 -3.781 8.185 467 HG LEU 62 HG LEU 62 -6.013 -3.025 6.028 468 1HD1 LEU 62 1HD1 LEU 62 -5.256 -0.941 5.019 469 2HD1 LEU 62 2HD1 LEU 62 -4.411 -0.519 6.507 470 3HD1 LEU 62 3HD1 LEU 62 -6.171 -0.636 6.495 471 1HD2 LEU 62 1HD2 LEU 62 -3.032 -2.652 6.286 472 2HD2 LEU 62 2HD2 LEU 62 -3.907 -3.003 4.795 473 3HD2 LEU 62 3HD2 LEU 62 -3.872 -4.190 6.099 474 H ARG 63 H ARG 63 -5.824 -1.828 11.173 475 HA ARG 63 HA ARG 63 -6.051 -4.422 12.147 476 1HB ARG 63 1HB ARG 63 -6.302 -1.781 13.569 477 2HB ARG 63 2HB ARG 63 -6.296 -3.321 14.411 478 1HG ARG 63 1HG ARG 63 -4.057 -3.771 13.382 479 2HG ARG 63 2HG ARG 63 -4.071 -2.106 12.793 480 1HD ARG 63 1HD ARG 63 -4.324 -1.303 15.097 481 2HD ARG 63 2HD ARG 63 -4.291 -2.967 15.677 482 HE ARG 63 HE ARG 63 -2.030 -1.429 14.608 483 1HH1 ARG 63 1HH1 ARG 63 -3.261 -4.406 16.004 484 2HH1 ARG 63 2HH1 ARG 63 -1.697 -4.985 16.481 485 1HH2 ARG 63 1HH2 ARG 63 0.027 -2.166 15.293 486 2HH2 ARG 63 2HH2 ARG 63 0.171 -3.701 16.099 487 H GLU 64 H GLU 64 -8.628 -2.264 11.357 488 HA GLU 64 HA GLU 64 -10.460 -3.492 13.249 489 1HB GLU 64 1HB GLU 64 -12.131 -1.947 12.416 490 2HB GLU 64 2HB GLU 64 -10.651 -1.087 12.801 491 1HG GLU 64 1HG GLU 64 -10.099 -0.863 10.489 492 2HG GLU 64 2HG GLU 64 -11.424 -1.932 10.020 493 H PHE 65 H PHE 65 -9.202 -4.983 10.936 494 HA PHE 65 HA PHE 65 -11.267 -5.623 9.115 495 1HB PHE 65 1HB PHE 65 -9.886 -7.526 8.458 496 2HB PHE 65 2HB PHE 65 -8.922 -6.065 8.585 497 HD1 PHE 65 HD1 PHE 65 -7.292 -5.814 10.408 498 HD2 PHE 65 HD2 PHE 65 -9.503 -9.413 9.874 499 HE1 PHE 65 HE1 PHE 65 -5.690 -7.011 11.840 500 HE2 PHE 65 HE2 PHE 65 -7.910 -10.610 11.312 501 HZ PHE 65 HZ PHE 65 -6.000 -9.414 12.294 502 HA PRO 66 HA PRO 66 -13.438 -8.378 11.852 503 1HB PRO 66 1HB PRO 66 -15.800 -8.187 10.506 504 2HB PRO 66 2HB PRO 66 -15.209 -6.959 11.626 505 1HG PRO 66 1HG PRO 66 -15.494 -6.801 8.741 506 2HG PRO 66 2HG PRO 66 -15.117 -5.510 9.891 507 1HD PRO 66 1HD PRO 66 -13.311 -7.050 8.173 508 2HD PRO 66 2HD PRO 66 -13.011 -5.535 9.049 509 H ASP 67 H ASP 67 -14.014 -8.708 8.322 510 HA ASP 67 HA ASP 67 -14.767 -11.487 8.750 511 1HB ASP 67 1HB ASP 67 -16.323 -10.137 7.492 512 2HB ASP 67 2HB ASP 67 -15.057 -9.651 6.373 513 H TYR 68 H TYR 68 -12.207 -9.650 7.373 514 HA TYR 68 HA TYR 68 -10.864 -12.090 6.571 515 1HB TYR 68 1HB TYR 68 -10.180 -10.854 4.450 516 2HB TYR 68 2HB TYR 68 -11.818 -11.479 4.502 517 HD1 TYR 68 HD1 TYR 68 -9.730 -8.473 4.486 518 HD2 TYR 68 HD2 TYR 68 -13.717 -9.957 4.643 519 HE1 TYR 68 HE1 TYR 68 -10.583 -6.229 3.963 520 HE2 TYR 68 HE2 TYR 68 -14.579 -7.716 4.127 521 HH TYR 68 HH TYR 68 -12.613 -5.201 3.014 522 H THR 69 H THR 69 -8.663 -11.988 6.798 523 HA THR 69 HA THR 69 -7.591 -9.664 8.128 524 HB THR 69 HB THR 69 -6.924 -11.782 9.043 525 HG1 THR 69 HG1 THR 69 -4.667 -10.778 7.633 526 1HG2 THR 69 1HG2 THR 69 -7.197 -13.180 7.058 527 2HG2 THR 69 2HG2 THR 69 -5.605 -13.417 7.781 528 3HG2 THR 69 3HG2 THR 69 -5.777 -12.431 6.328 529 H TRP 70 H TRP 70 -5.755 -8.584 7.410 530 HA TRP 70 HA TRP 70 -5.742 -8.309 4.497 531 1HB TRP 70 1HB TRP 70 -4.876 -6.432 6.697 532 2HB TRP 70 2HB TRP 70 -4.594 -6.113 4.990 533 HD1 TRP 70 HD1 TRP 70 -7.398 -6.260 7.584 534 HE1 TRP 70 HE1 TRP 70 -9.478 -5.099 6.610 535 HE3 TRP 70 HE3 TRP 70 -5.751 -5.537 2.801 536 HZ2 TRP 70 HZ2 TRP 70 -10.308 -4.013 4.131 537 HZ3 TRP 70 HZ3 TRP 70 -7.243 -4.432 1.192 538 HH2 TRP 70 HH2 TRP 70 -9.475 -3.686 1.842 539 H GLN 71 H GLN 71 -4.164 -9.202 3.404 540 HA GLN 71 HA GLN 71 -1.657 -9.887 4.679 541 1HB GLN 71 1HB GLN 71 -3.092 -10.935 2.566 542 2HB GLN 71 2HB GLN 71 -1.775 -10.099 1.759 543 1HG GLN 71 1HG GLN 71 -1.050 -12.311 2.077 544 2HG GLN 71 2HG GLN 71 -0.201 -11.340 3.278 545 1HE2 GLN 71 1HE2 GLN 71 -0.817 -14.199 3.226 546 2HE2 GLN 71 2HE2 GLN 71 -1.701 -14.525 4.674 547 H VAL 72 H VAL 72 -0.512 -8.087 5.144 548 HA VAL 72 HA VAL 72 -0.318 -5.926 3.213 549 HB VAL 72 HB VAL 72 1.061 -6.116 5.892 550 1HG1 VAL 72 1HG1 VAL 72 0.347 -3.754 4.155 551 2HG1 VAL 72 2HG1 VAL 72 1.962 -4.431 4.365 552 3HG1 VAL 72 3HG1 VAL 72 1.137 -3.675 5.730 553 1HG2 VAL 72 1HG2 VAL 72 -0.795 -4.799 6.791 554 2HG2 VAL 72 2HG2 VAL 72 -1.349 -6.366 6.204 555 3HG2 VAL 72 3HG2 VAL 72 -1.629 -4.916 5.243 556 H ALA 73 H ALA 73 1.068 -6.204 1.599 557 HA ALA 73 HA ALA 73 3.638 -7.523 2.180 558 1HB ALA 73 1HB ALA 73 3.724 -8.138 -0.171 559 2HB ALA 73 2HB ALA 73 2.202 -7.294 -0.461 560 3HB ALA 73 3HB ALA 73 2.235 -8.724 0.571 561 H ILE 74 H ILE 74 5.506 -6.519 1.686 562 HA ILE 74 HA ILE 74 5.308 -3.844 0.476 563 HB ILE 74 HB ILE 74 7.247 -3.159 1.828 564 1HG1 ILE 74 1HG1 ILE 74 6.920 -5.862 3.156 565 2HG1 ILE 74 2HG1 ILE 74 8.277 -5.368 2.146 566 1HG2 ILE 74 1HG2 ILE 74 6.090 -2.992 3.970 567 2HG2 ILE 74 2HG2 ILE 74 4.977 -4.271 3.477 568 3HG2 ILE 74 3HG2 ILE 74 4.977 -2.723 2.626 569 1HD1 ILE 74 1HD1 ILE 74 7.508 -4.184 4.802 570 2HD1 ILE 74 2HD1 ILE 74 8.847 -3.646 3.791 571 3HD1 ILE 74 3HD1 ILE 74 8.867 -5.263 4.488 572 H ALA 75 H ALA 75 6.993 -3.209 -0.934 573 HA ALA 75 HA ALA 75 8.412 -5.529 -2.082 574 1HB ALA 75 1HB ALA 75 6.435 -4.910 -3.398 575 2HB ALA 75 2HB ALA 75 7.933 -4.655 -4.300 576 3HB ALA 75 3HB ALA 75 7.086 -3.281 -3.590 577 H ASP 76 H ASP 76 10.206 -4.950 -3.548 578 HA ASP 76 HA ASP 76 12.000 -3.010 -2.467 579 1HB ASP 76 1HB ASP 76 12.026 -4.826 -4.856 580 2HB ASP 76 2HB ASP 76 13.226 -3.549 -4.728 581 H LEU 77 H LEU 77 13.110 -1.409 -3.999 582 HA LEU 77 HA LEU 77 11.175 0.382 -5.111 583 1HB LEU 77 1HB LEU 77 13.577 0.816 -4.099 584 2HB LEU 77 2HB LEU 77 14.097 0.542 -5.748 585 HG LEU 77 HG LEU 77 12.081 2.650 -4.971 586 1HD1 LEU 77 1HD1 LEU 77 15.043 2.924 -5.453 587 2HD1 LEU 77 2HD1 LEU 77 14.213 3.128 -3.910 588 3HD1 LEU 77 3HD1 LEU 77 13.905 4.255 -5.232 589 1HD2 LEU 77 1HD2 LEU 77 12.594 3.579 -7.176 590 2HD2 LEU 77 2HD2 LEU 77 11.943 1.943 -7.299 591 3HD2 LEU 77 3HD2 LEU 77 13.674 2.221 -7.495 592 H GLU 78 H GLU 78 13.616 -1.821 -6.394 593 HA GLU 78 HA GLU 78 13.170 -1.540 -9.125 594 1HB GLU 78 1HB GLU 78 13.965 -3.897 -7.434 595 2HB GLU 78 2HB GLU 78 13.863 -4.000 -9.185 596 1HG GLU 78 1HG GLU 78 15.568 -1.987 -7.755 597 2HG GLU 78 2HG GLU 78 16.141 -3.579 -8.243 598 H GLN 79 H GLN 79 11.546 -3.505 -6.726 599 HA GLN 79 HA GLN 79 9.969 -4.989 -8.550 600 1HB GLN 79 1HB GLN 79 10.638 -5.764 -6.300 601 2HB GLN 79 2HB GLN 79 9.578 -4.555 -5.592 602 1HG GLN 79 1HG GLN 79 7.652 -5.631 -6.619 603 2HG GLN 79 2HG GLN 79 8.713 -6.843 -7.341 604 1HE2 GLN 79 1HE2 GLN 79 6.530 -7.218 -5.455 605 2HE2 GLN 79 2HE2 GLN 79 7.225 -7.980 -4.066 606 H SER 80 H SER 80 9.316 -2.142 -6.522 607 HA SER 80 HA SER 80 6.548 -2.087 -6.991 608 1HB SER 80 1HB SER 80 6.856 0.415 -6.381 609 2HB SER 80 2HB SER 80 7.236 -0.807 -5.168 610 HG SER 80 HG SER 80 9.251 -0.224 -5.230 611 H GLU 81 H GLU 81 9.228 -0.508 -8.691 612 HA GLU 81 HA GLU 81 7.612 0.861 -10.554 613 1HB GLU 81 1HB GLU 81 10.487 -0.029 -10.639 614 2HB GLU 81 2HB GLU 81 9.738 0.865 -11.946 615 1HG GLU 81 1HG GLU 81 9.173 2.646 -10.247 616 2HG GLU 81 2HG GLU 81 10.224 1.780 -9.128 617 H ALA 82 H ALA 82 9.005 -2.374 -10.529 618 HA ALA 82 HA ALA 82 8.310 -3.002 -13.212 619 1HB ALA 82 1HB ALA 82 8.856 -5.281 -12.645 620 2HB ALA 82 2HB ALA 82 8.772 -4.912 -10.923 621 3HB ALA 82 3HB ALA 82 10.046 -4.201 -11.917 622 H ILE 83 H ILE 83 6.731 -3.587 -10.091 623 HA ILE 83 HA ILE 83 4.557 -5.076 -11.114 624 HB ILE 83 HB ILE 83 4.887 -3.489 -8.570 625 1HG1 ILE 83 1HG1 ILE 83 4.704 -6.468 -9.103 626 2HG1 ILE 83 2HG1 ILE 83 6.189 -5.585 -8.767 627 1HG2 ILE 83 1HG2 ILE 83 2.533 -3.416 -9.138 628 2HG2 ILE 83 2HG2 ILE 83 2.794 -4.500 -7.772 629 3HG2 ILE 83 3HG2 ILE 83 2.512 -5.163 -9.382 630 1HD1 ILE 83 1HD1 ILE 83 5.427 -6.761 -6.799 631 2HD1 ILE 83 2HD1 ILE 83 3.868 -5.941 -6.884 632 3HD1 ILE 83 3HD1 ILE 83 5.331 -5.019 -6.543 633 H GLY 84 H GLY 84 4.920 -1.619 -10.350 634 1HA GLY 84 1HA GLY 84 2.352 -0.783 -11.057 635 2HA GLY 84 2HA GLY 84 3.798 0.216 -11.157 636 H ASP 85 H ASP 85 5.271 -0.965 -13.049 637 HA ASP 85 HA ASP 85 4.269 -0.081 -15.475 638 1HB ASP 85 1HB ASP 85 6.663 -0.574 -14.953 639 2HB ASP 85 2HB ASP 85 6.296 -2.288 -15.043 640 H ARG 86 H ARG 86 4.192 -3.302 -14.061 641 HA ARG 86 HA ARG 86 3.190 -4.633 -16.343 642 1HB ARG 86 1HB ARG 86 4.558 -5.689 -14.638 643 2HB ARG 86 2HB ARG 86 3.317 -5.389 -13.433 644 1HG ARG 86 1HG ARG 86 1.825 -6.918 -14.517 645 2HG ARG 86 2HG ARG 86 2.975 -7.144 -15.843 646 1HD ARG 86 1HD ARG 86 3.516 -7.793 -12.950 647 2HD ARG 86 2HD ARG 86 3.043 -8.954 -14.178 648 HE ARG 86 HE ARG 86 5.308 -7.587 -15.093 649 1HH1 ARG 86 1HH1 ARG 86 4.431 -9.859 -12.572 650 2HH1 ARG 86 2HH1 ARG 86 6.001 -10.600 -12.504 651 1HH2 ARG 86 1HH2 ARG 86 7.367 -8.582 -15.045 652 2HH2 ARG 86 2HH2 ARG 86 7.660 -9.890 -13.934 653 H PHE 87 H PHE 87 1.678 -3.032 -13.629 654 HA PHE 87 HA PHE 87 -0.856 -4.406 -14.203 655 1HB PHE 87 1HB PHE 87 0.083 -4.438 -11.873 656 2HB PHE 87 2HB PHE 87 -0.181 -2.698 -11.804 657 HD1 PHE 87 HD1 PHE 87 -1.924 -5.934 -12.267 658 HD2 PHE 87 HD2 PHE 87 -2.259 -1.835 -11.184 659 HE1 PHE 87 HE1 PHE 87 -4.232 -6.328 -11.507 660 HE2 PHE 87 HE2 PHE 87 -4.565 -2.221 -10.420 661 HZ PHE 87 HZ PHE 87 -5.554 -4.470 -10.582 662 H GLY 88 H GLY 88 0.679 -1.317 -14.362 663 1HA GLY 88 1HA GLY 88 -0.229 0.464 -15.672 664 2HA GLY 88 2HA GLY 88 -1.844 -0.135 -15.306 665 H VAL 89 H VAL 89 0.888 0.489 -13.164 666 HA VAL 89 HA VAL 89 -0.772 2.445 -11.705 667 HB VAL 89 HB VAL 89 1.364 0.652 -10.516 668 1HG1 VAL 89 1HG1 VAL 89 1.077 2.755 -9.311 669 2HG1 VAL 89 2HG1 VAL 89 0.461 1.404 -8.359 670 3HG1 VAL 89 3HG1 VAL 89 -0.658 2.469 -9.207 671 1HG2 VAL 89 1HG2 VAL 89 -0.559 -0.678 -11.227 672 2HG2 VAL 89 2HG2 VAL 89 -1.638 0.399 -10.343 673 3HG2 VAL 89 3HG2 VAL 89 -0.470 -0.590 -9.469 674 H PHE 90 H PHE 90 0.343 4.266 -10.842 675 HA PHE 90 HA PHE 90 2.525 5.137 -12.491 676 1HB PHE 90 1HB PHE 90 1.165 6.469 -10.140 677 2HB PHE 90 2HB PHE 90 2.357 7.240 -11.183 678 HD1 PHE 90 HD1 PHE 90 -1.094 6.529 -10.689 679 HD2 PHE 90 HD2 PHE 90 1.809 7.400 -13.677 680 HE1 PHE 90 HE1 PHE 90 -2.889 7.220 -12.225 681 HE2 PHE 90 HE2 PHE 90 0.020 8.093 -15.218 682 HZ PHE 90 HZ PHE 90 -2.331 8.004 -14.493 683 H ARG 91 H ARG 91 4.484 6.134 -11.556 684 HA ARG 91 HA ARG 91 5.854 4.247 -9.911 685 1HB ARG 91 1HB ARG 91 7.772 5.809 -10.114 686 2HB ARG 91 2HB ARG 91 7.058 5.385 -11.664 687 1HG ARG 91 1HG ARG 91 6.019 7.497 -11.873 688 2HG ARG 91 2HG ARG 91 6.355 7.906 -10.188 689 1HD ARG 91 1HD ARG 91 8.660 8.158 -10.606 690 2HD ARG 91 2HD ARG 91 8.541 7.364 -12.175 691 HE ARG 91 HE ARG 91 6.964 9.527 -12.481 692 1HH1 ARG 91 1HH1 ARG 91 10.208 9.208 -11.174 693 2HH1 ARG 91 2HH1 ARG 91 10.763 10.687 -11.898 694 1HH2 ARG 91 1HH2 ARG 91 7.696 11.494 -13.391 695 2HH2 ARG 91 2HH2 ARG 91 9.358 11.968 -13.165 696 H PHE 92 H PHE 92 3.838 6.771 -9.101 697 HA PHE 92 HA PHE 92 5.273 7.926 -6.935 698 1HB PHE 92 1HB PHE 92 2.295 7.941 -7.462 699 2HB PHE 92 2HB PHE 92 3.165 9.025 -6.380 700 HD1 PHE 92 HD1 PHE 92 1.754 8.739 -9.544 701 HD2 PHE 92 HD2 PHE 92 5.193 10.297 -7.574 702 HE1 PHE 92 HE1 PHE 92 2.120 10.290 -11.417 703 HE2 PHE 92 HE2 PHE 92 5.558 11.855 -9.443 704 HZ PHE 92 HZ PHE 92 4.025 11.850 -11.367 705 HA PRO 93 HA PRO 93 4.754 4.582 -4.090 706 1HB PRO 93 1HB PRO 93 5.411 6.543 -2.007 707 2HB PRO 93 2HB PRO 93 6.289 5.092 -2.497 708 1HG PRO 93 1HG PRO 93 7.188 7.558 -3.027 709 2HG PRO 93 2HG PRO 93 7.479 6.198 -4.120 710 1HD PRO 93 1HD PRO 93 5.489 8.421 -4.336 711 2HD PRO 93 2HD PRO 93 6.453 7.646 -5.610 712 H ALA 94 H ALA 94 2.930 3.884 -3.365 713 HA ALA 94 HA ALA 94 1.373 5.311 -1.428 714 1HB ALA 94 1HB ALA 94 0.514 6.314 -3.486 715 2HB ALA 94 2HB ALA 94 -0.712 5.306 -2.718 716 3HB ALA 94 3HB ALA 94 0.161 4.709 -4.129 717 H THR 95 H THR 95 -0.875 3.866 -1.335 718 HA THR 95 HA THR 95 0.096 1.097 -1.077 719 HB THR 95 HB THR 95 -2.227 2.376 0.379 720 HG1 THR 95 HG1 THR 95 0.316 2.841 0.745 721 1HG2 THR 95 1HG2 THR 95 -0.723 -0.200 0.864 722 2HG2 THR 95 2HG2 THR 95 -2.354 -0.064 0.205 723 3HG2 THR 95 3HG2 THR 95 -2.028 0.437 1.865 724 H LEU 96 H LEU 96 -0.801 -0.403 -2.340 725 HA LEU 96 HA LEU 96 -3.160 0.303 -3.920 726 1HB LEU 96 1HB LEU 96 -1.336 -2.102 -4.096 727 2HB LEU 96 2HB LEU 96 -2.628 -1.716 -5.215 728 HG LEU 96 HG LEU 96 -0.117 -0.093 -4.791 729 1HD1 LEU 96 1HD1 LEU 96 0.434 -0.806 -7.066 730 2HD1 LEU 96 2HD1 LEU 96 -1.008 -1.823 -7.093 731 3HD1 LEU 96 3HD1 LEU 96 0.302 -2.178 -5.965 732 1HD2 LEU 96 1HD2 LEU 96 -0.891 1.224 -6.694 733 2HD2 LEU 96 2HD2 LEU 96 -2.020 1.324 -5.345 734 3HD2 LEU 96 3HD2 LEU 96 -2.392 0.299 -6.732 735 H VAL 97 H VAL 97 -5.111 -0.296 -3.219 736 HA VAL 97 HA VAL 97 -5.234 -2.338 -1.127 737 HB VAL 97 HB VAL 97 -6.177 -0.196 -0.499 738 1HG1 VAL 97 1HG1 VAL 97 -8.054 -0.556 -2.830 739 2HG1 VAL 97 2HG1 VAL 97 -6.795 0.668 -2.671 740 3HG1 VAL 97 3HG1 VAL 97 -8.191 0.694 -1.593 741 1HG2 VAL 97 1HG2 VAL 97 -7.193 -2.211 0.430 742 2HG2 VAL 97 2HG2 VAL 97 -8.338 -2.258 -0.910 743 3HG2 VAL 97 3HG2 VAL 97 -8.381 -0.923 0.240 744 H PHE 98 H PHE 98 -6.027 -4.258 -1.480 745 HA PHE 98 HA PHE 98 -7.725 -4.689 -3.845 746 1HB PHE 98 1HB PHE 98 -5.933 -6.686 -2.441 747 2HB PHE 98 2HB PHE 98 -6.920 -7.005 -3.863 748 HD1 PHE 98 HD1 PHE 98 -3.870 -5.442 -2.605 749 HD2 PHE 98 HD2 PHE 98 -6.274 -6.167 -6.039 750 HE1 PHE 98 HE1 PHE 98 -1.996 -4.778 -4.052 751 HE2 PHE 98 HE2 PHE 98 -4.402 -5.502 -7.494 752 HZ PHE 98 HZ PHE 98 -2.261 -4.806 -6.500 753 H THR 99 H THR 99 -9.665 -5.686 -3.555 754 HA THR 99 HA THR 99 -10.235 -7.032 -1.041 755 HB THR 99 HB THR 99 -12.274 -5.049 -1.936 756 HG1 THR 99 HG1 THR 99 -9.871 -4.495 -0.563 757 1HG2 THR 99 1HG2 THR 99 -11.513 -6.148 0.767 758 2HG2 THR 99 2HG2 THR 99 -12.850 -6.711 -0.236 759 3HG2 THR 99 3HG2 THR 99 -12.876 -5.079 0.433 760 H GLY 100 H GLY 100 -11.863 -8.531 -1.222 761 1HA GLY 100 1HA GLY 100 -13.197 -10.073 -2.295 762 2HA GLY 100 2HA GLY 100 -13.597 -8.804 -3.448 763 H GLY 101 H GLY 101 -10.276 -9.546 -3.010 764 1HA GLY 101 1HA GLY 101 -8.777 -10.773 -4.287 765 2HA GLY 101 2HA GLY 101 -10.134 -11.478 -5.151 766 H ASN 102 H ASN 102 -10.621 -8.222 -5.181 767 HA ASN 102 HA ASN 102 -9.230 -7.949 -7.761 768 1HB ASN 102 1HB ASN 102 -12.051 -7.568 -7.058 769 2HB ASN 102 2HB ASN 102 -11.358 -6.228 -7.965 770 1HD2 ASN 102 1HD2 ASN 102 -12.012 -9.663 -7.999 771 2HD2 ASN 102 2HD2 ASN 102 -11.900 -9.864 -9.719 772 H TYR 103 H TYR 103 -8.715 -5.806 -8.432 773 HA TYR 103 HA TYR 103 -7.594 -4.256 -6.286 774 1HB TYR 103 1HB TYR 103 -6.309 -4.595 -8.313 775 2HB TYR 103 2HB TYR 103 -7.591 -3.893 -9.288 776 HD1 TYR 103 HD1 TYR 103 -7.547 -1.620 -9.804 777 HD2 TYR 103 HD2 TYR 103 -5.171 -3.052 -6.583 778 HE1 TYR 103 HE1 TYR 103 -6.467 0.580 -9.629 779 HE2 TYR 103 HE2 TYR 103 -4.086 -0.853 -6.399 780 HH TYR 103 HH TYR 103 -3.668 1.111 -7.713 781 H ARG 104 H ARG 104 -8.547 -2.604 -5.306 782 HA ARG 104 HA ARG 104 -11.061 -1.569 -6.353 783 1HB ARG 104 1HB ARG 104 -9.793 -1.787 -3.743 784 2HB ARG 104 2HB ARG 104 -10.464 -0.186 -4.015 785 1HG ARG 104 1HG ARG 104 -12.043 -1.658 -2.889 786 2HG ARG 104 2HG ARG 104 -12.641 -1.142 -4.468 787 1HD ARG 104 1HD ARG 104 -12.179 -3.254 -5.434 788 2HD ARG 104 2HD ARG 104 -11.222 -3.760 -4.039 789 HE ARG 104 HE ARG 104 -13.554 -3.418 -2.870 790 1HH1 ARG 104 1HH1 ARG 104 -12.978 -4.800 -6.037 791 2HH1 ARG 104 2HH1 ARG 104 -14.241 -5.991 -5.888 792 1HH2 ARG 104 1HH2 ARG 104 -15.225 -4.962 -2.677 793 2HH2 ARG 104 2HH2 ARG 104 -15.522 -6.071 -3.975 794 H GLY 105 H GLY 105 -8.075 -0.141 -5.025 795 1HA GLY 105 1HA GLY 105 -7.748 1.719 -7.122 796 2HA GLY 105 2HA GLY 105 -8.592 2.490 -5.787 797 H VAL 106 H VAL 106 -6.709 3.880 -5.644 798 HA VAL 106 HA VAL 106 -4.455 2.566 -4.292 799 HB VAL 106 HB VAL 106 -3.782 3.294 -6.529 800 1HG1 VAL 106 1HG1 VAL 106 -4.593 6.056 -5.628 801 2HG1 VAL 106 2HG1 VAL 106 -5.353 5.096 -6.897 802 3HG1 VAL 106 3HG1 VAL 106 -3.706 5.685 -7.106 803 1HG2 VAL 106 1HG2 VAL 106 -2.116 3.341 -4.774 804 2HG2 VAL 106 2HG2 VAL 106 -2.596 4.977 -4.324 805 3HG2 VAL 106 3HG2 VAL 106 -1.851 4.676 -5.895 806 H LEU 107 H LEU 107 -3.817 3.401 -2.400 807 HA LEU 107 HA LEU 107 -5.304 5.715 -1.372 808 1HB LEU 107 1HB LEU 107 -3.678 3.625 0.089 809 2HB LEU 107 2HB LEU 107 -4.558 4.938 0.850 810 HG LEU 107 HG LEU 107 -5.823 2.709 -0.750 811 1HD1 LEU 107 1HD1 LEU 107 -5.713 3.160 2.227 812 2HD1 LEU 107 2HD1 LEU 107 -4.852 1.905 1.338 813 3HD1 LEU 107 3HD1 LEU 107 -6.615 1.887 1.404 814 1HD2 LEU 107 1HD2 LEU 107 -7.048 4.898 0.928 815 2HD2 LEU 107 2HD2 LEU 107 -7.924 3.573 0.165 816 3HD2 LEU 107 3HD2 LEU 107 -7.110 4.779 -0.831 817 H ASN 108 H ASN 108 -4.254 7.539 -1.825 818 HA ASN 108 HA ASN 108 -1.385 7.643 -1.200 819 1HB ASN 108 1HB ASN 108 -1.304 9.567 -2.852 820 2HB ASN 108 2HB ASN 108 -1.556 7.969 -3.543 821 1HD2 ASN 108 1HD2 ASN 108 -2.897 11.104 -3.019 822 2HD2 ASN 108 2HD2 ASN 108 -4.321 10.892 -3.980 823 H GLY 109 H GLY 109 -1.418 8.369 0.854 824 1HA GLY 109 1HA GLY 109 -2.206 11.137 1.241 825 2HA GLY 109 2HA GLY 109 -3.088 9.968 2.213 826 H ILE 110 H ILE 110 -0.981 12.142 2.747 827 HA ILE 110 HA ILE 110 0.982 10.478 4.163 828 HB ILE 110 HB ILE 110 1.106 13.415 3.441 829 1HG1 ILE 110 1HG1 ILE 110 1.383 11.869 1.527 830 2HG1 ILE 110 2HG1 ILE 110 2.865 12.754 1.883 831 1HG2 ILE 110 1HG2 ILE 110 2.260 12.987 5.546 832 2HG2 ILE 110 2HG2 ILE 110 3.413 13.346 4.260 833 3HG2 ILE 110 3HG2 ILE 110 3.175 11.681 4.792 834 1HD1 ILE 110 1HD1 ILE 110 2.271 9.907 2.661 835 2HD1 ILE 110 2HD1 ILE 110 3.751 10.790 3.041 836 3HD1 ILE 110 3HD1 ILE 110 3.340 10.438 1.362 837 H HIS 111 H HIS 111 -1.480 12.940 4.613 838 HA HIS 111 HA HIS 111 -1.206 12.565 7.494 839 1HB HIS 111 1HB HIS 111 -1.063 15.170 6.052 840 2HB HIS 111 2HB HIS 111 -1.789 15.117 7.657 841 HD1 HIS 111 HD1 HIS 111 -0.220 14.257 9.612 842 HD2 HIS 111 HD2 HIS 111 1.682 15.083 6.009 843 HE1 HIS 111 HE1 HIS 111 2.232 14.395 10.155 844 HE2 HIS 111 HE2 HIS 111 3.374 14.645 7.920 845 HA PRO 112 HA PRO 112 -5.648 14.504 6.654 846 1HB PRO 112 1HB PRO 112 -6.547 13.620 4.138 847 2HB PRO 112 2HB PRO 112 -6.169 15.277 4.601 848 1HG PRO 112 1HG PRO 112 -4.515 13.293 3.133 849 2HG PRO 112 2HG PRO 112 -4.574 15.056 2.962 850 1HD PRO 112 1HD PRO 112 -2.529 13.834 4.192 851 2HD PRO 112 2HD PRO 112 -3.145 15.400 4.762 852 H TRP 113 H TRP 113 -6.879 13.241 7.800 853 HA TRP 113 HA TRP 113 -6.562 10.352 7.476 854 1HB TRP 113 1HB TRP 113 -5.935 11.412 9.644 855 2HB TRP 113 2HB TRP 113 -7.614 11.889 9.856 856 HD1 TRP 113 HD1 TRP 113 -8.206 10.446 11.911 857 HE1 TRP 113 HE1 TRP 113 -8.347 7.910 12.368 858 HE3 TRP 113 HE3 TRP 113 -5.980 8.734 7.641 859 HZ2 TRP 113 HZ2 TRP 113 -7.620 5.511 11.071 860 HZ3 TRP 113 HZ3 TRP 113 -5.750 6.306 7.319 861 HH2 TRP 113 HH2 TRP 113 -6.560 4.731 8.998 862 H ALA 114 H ALA 114 -9.079 12.784 8.094 863 HA ALA 114 HA ALA 114 -11.291 11.082 7.832 864 1HB ALA 114 1HB ALA 114 -11.438 13.373 8.706 865 2HB ALA 114 2HB ALA 114 -12.587 13.094 7.397 866 3HB ALA 114 3HB ALA 114 -11.105 14.002 7.092 867 H GLU 115 H GLU 115 -9.315 12.753 5.467 868 HA GLU 115 HA GLU 115 -10.869 12.117 3.186 869 1HB GLU 115 1HB GLU 115 -7.906 12.688 3.427 870 2HB GLU 115 2HB GLU 115 -8.817 12.666 1.928 871 1HG GLU 115 1HG GLU 115 -9.319 14.552 4.213 872 2HG GLU 115 2HG GLU 115 -8.385 14.934 2.769 873 H LEU 116 H LEU 116 -8.008 10.601 4.675 874 HA LEU 116 HA LEU 116 -7.702 8.555 2.783 875 1HB LEU 116 1HB LEU 116 -6.138 9.366 4.687 876 2HB LEU 116 2HB LEU 116 -7.004 8.218 5.685 877 HG LEU 116 HG LEU 116 -5.628 7.388 3.131 878 1HD1 LEU 116 1HD1 LEU 116 -4.492 7.427 5.923 879 2HD1 LEU 116 2HD1 LEU 116 -3.971 8.438 4.575 880 3HD1 LEU 116 3HD1 LEU 116 -3.739 6.693 4.509 881 1HD2 LEU 116 1HD2 LEU 116 -5.624 5.187 4.200 882 2HD2 LEU 116 2HD2 LEU 116 -7.263 5.815 4.025 883 3HD2 LEU 116 3HD2 LEU 116 -6.463 5.862 5.596 884 H ILE 117 H ILE 117 -9.415 8.521 5.934 885 HA ILE 117 HA ILE 117 -10.275 5.843 5.801 886 HB ILE 117 HB ILE 117 -11.787 8.116 7.115 887 1HG1 ILE 117 1HG1 ILE 117 -9.659 6.296 8.266 888 2HG1 ILE 117 2HG1 ILE 117 -9.462 8.011 7.918 889 1HG2 ILE 117 1HG2 ILE 117 -11.800 5.146 7.654 890 2HG2 ILE 117 2HG2 ILE 117 -13.083 6.055 6.851 891 3HG2 ILE 117 3HG2 ILE 117 -12.712 6.366 8.547 892 1HD1 ILE 117 1HD1 ILE 117 -9.837 7.626 10.288 893 2HD1 ILE 117 2HD1 ILE 117 -11.371 6.831 9.925 894 3HD1 ILE 117 3HD1 ILE 117 -11.163 8.549 9.580 895 H ASN 118 H ASN 118 -11.723 8.821 4.606 896 HA ASN 118 HA ASN 118 -14.258 7.955 3.896 897 1HB ASN 118 1HB ASN 118 -13.201 10.310 3.787 898 2HB ASN 118 2HB ASN 118 -12.657 9.856 2.187 899 1HD2 ASN 118 1HD2 ASN 118 -14.319 11.981 2.734 900 2HD2 ASN 118 2HD2 ASN 118 -15.865 11.686 2.022 901 H LEU 119 H LEU 119 -11.399 8.146 1.803 902 HA LEU 119 HA LEU 119 -12.654 6.845 -0.377 903 1HB LEU 119 1HB LEU 119 -9.708 7.197 0.182 904 2HB LEU 119 2HB LEU 119 -10.420 6.779 -1.363 905 HG LEU 119 HG LEU 119 -10.787 9.395 0.097 906 1HD1 LEU 119 1HD1 LEU 119 -9.253 8.712 -2.405 907 2HD1 LEU 119 2HD1 LEU 119 -8.561 9.147 -0.843 908 3HD1 LEU 119 3HD1 LEU 119 -9.495 10.332 -1.755 909 1HD2 LEU 119 1HD2 LEU 119 -12.778 8.749 -1.182 910 2HD2 LEU 119 2HD2 LEU 119 -11.780 8.539 -2.620 911 3HD2 LEU 119 3HD2 LEU 119 -11.961 10.138 -1.898 912 H MET 120 H MET 120 -10.481 5.723 2.172 913 HA MET 120 HA MET 120 -9.978 3.143 1.178 914 1HB MET 120 1HB MET 120 -8.875 4.399 3.134 915 2HB MET 120 2HB MET 120 -10.214 3.803 4.105 916 1HG MET 120 1HG MET 120 -8.450 1.979 2.516 917 2HG MET 120 2HG MET 120 -8.061 2.480 4.160 918 1HE MET 120 1HE MET 120 -7.901 -0.172 4.607 919 2HE MET 120 2HE MET 120 -8.474 -0.528 2.978 920 3HE MET 120 3HE MET 120 -9.252 -1.286 4.371 921 H ARG 121 H ARG 121 -12.476 4.248 3.467 922 HA ARG 121 HA ARG 121 -13.647 1.662 3.673 923 1HB ARG 121 1HB ARG 121 -13.838 3.636 5.322 924 2HB ARG 121 2HB ARG 121 -15.124 4.206 4.265 925 1HG ARG 121 1HG ARG 121 -16.487 2.371 4.725 926 2HG ARG 121 2HG ARG 121 -15.143 1.421 5.363 927 1HD ARG 121 1HD ARG 121 -14.988 3.227 7.175 928 2HD ARG 121 2HD ARG 121 -16.592 3.720 6.635 929 HE ARG 121 HE ARG 121 -17.453 1.624 7.352 930 1HH1 ARG 121 1HH1 ARG 121 -14.071 2.108 8.140 931 2HH1 ARG 121 2HH1 ARG 121 -14.036 0.874 9.370 932 1HH2 ARG 121 1HH2 ARG 121 -17.415 0.002 8.970 933 2HH2 ARG 121 2HH2 ARG 121 -15.945 -0.304 9.843 934 H GLY 122 H GLY 122 -14.167 4.441 1.605 935 1HA GLY 122 1HA GLY 122 -16.572 3.571 0.393 936 2HA GLY 122 2HA GLY 122 -15.413 4.690 -0.311 937 H LEU 123 H LEU 123 -13.227 2.720 -0.134 938 HA LEU 123 HA LEU 123 -13.765 1.362 -2.619 939 1HB LEU 123 1HB LEU 123 -11.323 1.454 -0.852 940 2HB LEU 123 2HB LEU 123 -11.396 0.572 -2.365 941 HG LEU 123 HG LEU 123 -11.761 3.557 -2.093 942 1HD1 LEU 123 1HD1 LEU 123 -9.483 2.901 -1.567 943 2HD1 LEU 123 2HD1 LEU 123 -9.550 3.713 -3.130 944 3HD1 LEU 123 3HD1 LEU 123 -9.394 1.959 -3.054 945 1HD2 LEU 123 1HD2 LEU 123 -11.480 1.806 -4.535 946 2HD2 LEU 123 2HD2 LEU 123 -11.564 3.566 -4.531 947 3HD2 LEU 123 3HD2 LEU 123 -12.951 2.616 -4.004 948 H VAL 124 H VAL 124 -12.897 0.352 0.705 949 HA VAL 124 HA VAL 124 -13.056 -2.412 0.093 950 HB VAL 124 HB VAL 124 -13.067 -2.829 2.512 951 1HG1 VAL 124 1HG1 VAL 124 -11.090 -0.745 1.602 952 2HG1 VAL 124 2HG1 VAL 124 -10.973 -2.484 1.334 953 3HG1 VAL 124 3HG1 VAL 124 -10.877 -1.837 2.972 954 1HG2 VAL 124 1HG2 VAL 124 -13.172 0.175 2.770 955 2HG2 VAL 124 2HG2 VAL 124 -12.900 -0.967 4.087 956 3HG2 VAL 124 3HG2 VAL 124 -14.447 -0.951 3.240 957 H GLU 125 H GLU 125 -15.448 -0.160 1.416 958 HA GLU 125 HA GLU 125 -17.462 -2.293 1.255 959 1HB GLU 125 1HB GLU 125 -17.320 -0.875 3.341 960 2HB GLU 125 2HB GLU 125 -17.813 0.500 2.362 961 1HG GLU 125 1HG GLU 125 -19.916 -0.600 1.841 962 2HG GLU 125 2HG GLU 125 -19.425 -2.011 2.773 963 HA PRO 126 HA PRO 126 -18.045 -0.162 -2.647 964 1HB PRO 126 1HB PRO 126 -18.626 -2.315 -4.116 965 2HB PRO 126 2HB PRO 126 -16.991 -2.017 -3.519 966 1HG PRO 126 1HG PRO 126 -19.021 -3.966 -2.578 967 2HG PRO 126 2HG PRO 126 -17.255 -4.088 -2.570 968 1HD PRO 126 1HD PRO 126 -18.934 -3.363 -0.398 969 2HD PRO 126 2HD PRO 126 -17.161 -3.292 -0.452 970 H GLN 127 H GLN 127 -19.755 0.576 -3.823 971 HA GLN 127 HA GLN 127 -22.422 0.089 -2.939 972 1HB GLN 127 1HB GLN 127 -21.391 1.554 -5.372 973 2HB GLN 127 2HB GLN 127 -23.009 1.654 -4.720 974 1HG GLN 127 1HG GLN 127 -22.187 2.697 -2.705 975 2HG GLN 127 2HG GLN 127 -20.527 2.516 -3.271 976 1HE2 GLN 127 1HE2 GLN 127 -23.512 4.260 -3.628 977 2HE2 GLN 127 2HE2 GLN 127 -22.872 5.556 -4.594 978 H GLN 128 H GLN 128 -20.326 -1.476 -4.891 979 HA GLN 128 HA GLN 128 -22.345 -3.225 -5.965 980 1HB GLN 128 1HB GLN 128 -21.921 -1.623 -7.781 981 2HB GLN 128 2HB GLN 128 -20.193 -1.938 -7.665 982 1HG GLN 128 1HG GLN 128 -20.527 -4.223 -8.355 983 2HG GLN 128 2HG GLN 128 -22.270 -3.976 -8.368 984 1HE2 GLN 128 1HE2 GLN 128 -22.441 -4.523 -10.537 985 2HE2 GLN 128 2HE2 GLN 128 -21.884 -3.485 -11.799 986 H GLU 129 H GLU 129 -21.740 -5.047 -4.985 987 HA GLU 129 HA GLU 129 -19.095 -5.551 -4.126 988 1HB GLU 129 1HB GLU 129 -21.397 -7.495 -4.378 989 2HB GLU 129 2HB GLU 129 -19.912 -7.776 -3.482 990 1HG GLU 129 1HG GLU 129 -21.230 -7.131 -1.769 991 2HG GLU 129 2HG GLU 129 -20.654 -5.543 -2.271 992 H ARG 130 H ARG 130 -17.928 -5.253 -6.104 993 HA ARG 130 HA ARG 130 -18.092 -7.301 -8.126 994 1HB ARG 130 1HB ARG 130 -17.366 -4.946 -8.594 995 2HB ARG 130 2HB ARG 130 -15.910 -5.258 -7.660 996 1HG ARG 130 1HG ARG 130 -15.273 -7.011 -9.246 997 2HG ARG 130 2HG ARG 130 -16.727 -6.676 -10.190 998 1HD ARG 130 1HD ARG 130 -15.915 -4.317 -10.424 999 2HD ARG 130 2HD ARG 130 -14.404 -4.828 -9.678 1000 HE ARG 130 HE ARG 130 -14.225 -6.429 -11.611 1001 1HH1 ARG 130 1HH1 ARG 130 -15.989 -3.410 -11.852 1002 2HH1 ARG 130 2HH1 ARG 130 -15.804 -3.298 -13.577 1003 1HH2 ARG 130 1HH2 ARG 130 -13.958 -6.260 -13.870 1004 2HH2 ARG 130 2HH2 ARG 130 -14.645 -4.907 -14.723 1005 H ALA 131 H ALA 131 -17.800 -9.202 -6.992 1006 HA ALA 131 HA ALA 131 -15.055 -9.940 -6.511 1007 1HB ALA 131 1HB ALA 131 -17.039 -10.082 -4.240 1008 2HB ALA 131 2HB ALA 131 -15.680 -8.965 -4.346 1009 3HB ALA 131 3HB ALA 131 -15.387 -10.698 -4.220 1010 H SER 132 H SER 132 -14.735 -12.103 -6.763 1011 HA SER 132 HA SER 132 -17.074 -13.856 -6.922 1012 1HB SER 132 1HB SER 132 -15.944 -14.907 -8.965 1013 2HB SER 132 2HB SER 132 -16.697 -13.330 -9.213 1014 HG SER 132 HG SER 132 -14.678 -13.215 -10.114 Start of MODEL 5 1 1H MET 1 1H MET 1 29.486 4.137 2.980 2 HA MET 1 HA MET 1 30.233 6.219 4.748 3 1HB MET 1 1HB MET 1 31.923 6.795 3.060 4 2HB MET 1 2HB MET 1 30.669 6.904 1.832 5 1HG MET 1 1HG MET 1 31.323 9.103 2.574 6 2HG MET 1 2HG MET 1 29.655 8.771 3.033 7 1HE MET 1 1HE MET 1 29.663 10.800 4.758 8 2HE MET 1 2HE MET 1 31.308 11.167 4.235 9 3HE MET 1 3HE MET 1 30.937 11.037 5.954 10 H SER 2 H SER 2 28.800 6.528 1.502 11 HA SER 2 HA SER 2 26.249 7.140 2.836 12 1HB SER 2 1HB SER 2 27.196 8.148 0.145 13 2HB SER 2 2HB SER 2 25.757 8.660 1.024 14 HG SER 2 HG SER 2 26.951 9.830 2.367 15 H ASN 3 H ASN 3 25.285 5.143 2.762 16 HA ASN 3 HA ASN 3 24.751 4.104 0.054 17 1HB ASN 3 1HB ASN 3 26.052 2.547 1.552 18 2HB ASN 3 2HB ASN 3 24.657 2.503 2.625 19 1HD2 ASN 3 1HD2 ASN 3 22.875 1.313 2.058 20 2HD2 ASN 3 2HD2 ASN 3 22.851 0.238 0.704 21 H ASP 4 H ASP 4 23.109 5.710 -0.021 22 HA ASP 4 HA ASP 4 21.005 6.521 0.121 23 1HB ASP 4 1HB ASP 4 20.499 3.979 -0.163 24 2HB ASP 4 2HB ASP 4 20.073 4.041 1.544 25 H THR 5 H THR 5 19.146 6.866 1.874 26 HA THR 5 HA THR 5 20.026 6.917 4.586 27 HB THR 5 HB THR 5 19.737 9.661 3.354 28 HG1 THR 5 HG1 THR 5 21.932 7.980 3.415 29 1HG2 THR 5 1HG2 THR 5 20.722 10.403 5.452 30 2HG2 THR 5 2HG2 THR 5 20.856 8.730 5.994 31 3HG2 THR 5 3HG2 THR 5 19.267 9.456 5.750 32 HA PRO 6 HA PRO 6 15.702 8.952 4.299 33 1HB PRO 6 1HB PRO 6 14.937 9.215 1.505 34 2HB PRO 6 2HB PRO 6 15.059 10.469 2.739 35 1HG PRO 6 1HG PRO 6 16.750 10.312 0.629 36 2HG PRO 6 2HG PRO 6 17.233 10.969 2.203 37 1HD PRO 6 1HD PRO 6 17.734 8.245 1.054 38 2HD PRO 6 2HD PRO 6 18.838 9.307 1.946 39 H PHE 7 H PHE 7 16.012 7.050 1.279 40 HA PHE 7 HA PHE 7 13.574 5.658 1.660 41 1HB PHE 7 1HB PHE 7 14.527 5.858 -0.561 42 2HB PHE 7 2HB PHE 7 15.981 5.004 -0.055 43 HD1 PHE 7 HD1 PHE 7 12.322 4.588 -0.488 44 HD2 PHE 7 HD2 PHE 7 16.119 2.683 -0.254 45 HE1 PHE 7 HE1 PHE 7 11.285 2.454 -1.144 46 HE2 PHE 7 HE2 PHE 7 15.093 0.545 -0.911 47 HZ PHE 7 HZ PHE 7 12.671 0.431 -1.353 48 H ASP 8 H ASP 8 16.951 4.898 2.336 49 HA ASP 8 HA ASP 8 16.754 2.317 3.314 50 1HB ASP 8 1HB ASP 8 18.854 3.615 3.067 51 2HB ASP 8 2HB ASP 8 18.407 4.584 4.451 52 H ALA 9 H ALA 9 16.506 5.324 5.125 53 HA ALA 9 HA ALA 9 15.818 4.177 7.600 54 1HB ALA 9 1HB ALA 9 15.075 6.916 6.578 55 2HB ALA 9 2HB ALA 9 16.592 6.487 7.367 56 3HB ALA 9 3HB ALA 9 15.077 6.394 8.265 57 H LEU 10 H LEU 10 13.718 5.521 5.055 58 HA LEU 10 HA LEU 10 11.289 5.149 6.383 59 1HB LEU 10 1HB LEU 10 12.171 5.658 3.629 60 2HB LEU 10 2HB LEU 10 10.624 4.848 3.755 61 HG LEU 10 HG LEU 10 10.326 7.262 3.581 62 1HD1 LEU 10 1HD1 LEU 10 8.696 5.988 4.850 63 2HD1 LEU 10 2HD1 LEU 10 8.915 7.591 5.553 64 3HD1 LEU 10 3HD1 LEU 10 9.659 6.185 6.315 65 1HD2 LEU 10 1HD2 LEU 10 11.081 8.755 5.357 66 2HD2 LEU 10 2HD2 LEU 10 12.448 7.967 4.568 67 3HD2 LEU 10 3HD2 LEU 10 11.900 7.412 6.151 68 H TRP 11 H TRP 11 13.027 3.002 4.140 69 HA TRP 11 HA TRP 11 11.037 0.990 4.079 70 1HB TRP 11 1HB TRP 11 13.401 1.429 2.750 71 2HB TRP 11 2HB TRP 11 13.829 0.081 3.795 72 HD1 TRP 11 HD1 TRP 11 10.540 0.690 1.837 73 HE1 TRP 11 HE1 TRP 11 10.103 -1.360 0.347 74 HE3 TRP 11 HE3 TRP 11 14.774 -1.991 2.866 75 HZ2 TRP 11 HZ2 TRP 11 11.377 -3.773 -0.316 76 HZ3 TRP 11 HZ3 TRP 11 15.088 -4.160 1.745 77 HH2 TRP 11 HH2 TRP 11 13.420 -5.029 0.185 78 H GLN 12 H GLN 12 13.980 1.415 5.994 79 HA GLN 12 HA GLN 12 13.837 -0.976 7.428 80 1HB GLN 12 1HB GLN 12 15.201 1.651 7.869 81 2HB GLN 12 2HB GLN 12 15.273 0.407 9.100 82 1HG GLN 12 1HG GLN 12 16.166 0.092 6.246 83 2HG GLN 12 2HG GLN 12 17.224 0.368 7.630 84 1HE2 GLN 12 1HE2 GLN 12 15.653 -1.340 9.388 85 2HE2 GLN 12 2HE2 GLN 12 16.018 -2.964 8.929 86 H ARG 13 H ARG 13 12.474 2.224 8.171 87 HA ARG 13 HA ARG 13 11.673 1.663 10.783 88 1HB ARG 13 1HB ARG 13 10.421 3.503 8.751 89 2HB ARG 13 2HB ARG 13 9.930 3.434 10.431 90 1HG ARG 13 1HG ARG 13 12.600 4.283 9.347 91 2HG ARG 13 2HG ARG 13 11.391 5.296 10.126 92 1HD ARG 13 1HD ARG 13 13.094 3.153 11.368 93 2HD ARG 13 2HD ARG 13 13.104 4.878 11.718 94 HE ARG 13 HE ARG 13 11.298 2.880 12.764 95 1HH1 ARG 13 1HH1 ARG 13 11.706 6.307 12.127 96 2HH1 ARG 13 2HH1 ARG 13 10.694 6.802 13.454 97 1HH2 ARG 13 1HH2 ARG 13 9.992 3.531 14.512 98 2HH2 ARG 13 2HH2 ARG 13 9.723 5.222 14.810 99 H MET 14 H MET 14 9.739 1.408 7.796 100 HA MET 14 HA MET 14 7.557 0.264 9.213 101 1HB MET 14 1HB MET 14 6.568 -0.176 7.006 102 2HB MET 14 2HB MET 14 7.065 1.485 7.229 103 1HG MET 14 1HG MET 14 9.056 1.058 5.872 104 2HG MET 14 2HG MET 14 8.519 -0.608 5.635 105 1HE MET 14 1HE MET 14 7.852 1.119 2.138 106 2HE MET 14 2HE MET 14 8.707 -0.181 2.968 107 3HE MET 14 3HE MET 14 9.171 1.500 3.244 108 H LEU 15 H LEU 15 10.357 -1.071 7.623 109 HA LEU 15 HA LEU 15 9.539 -3.741 7.357 110 1HB LEU 15 1HB LEU 15 12.210 -2.476 7.875 111 2HB LEU 15 2HB LEU 15 12.040 -4.219 7.848 112 HG LEU 15 HG LEU 15 11.301 -2.409 5.545 113 1HD1 LEU 15 1HD1 LEU 15 13.354 -3.244 4.496 114 2HD1 LEU 15 2HD1 LEU 15 13.773 -4.076 5.994 115 3HD1 LEU 15 3HD1 LEU 15 13.691 -2.314 5.958 116 1HD2 LEU 15 1HD2 LEU 15 11.277 -4.506 4.268 117 2HD2 LEU 15 2HD2 LEU 15 10.081 -4.515 5.563 118 3HD2 LEU 15 3HD2 LEU 15 11.593 -5.406 5.750 119 H ALA 16 H ALA 16 10.740 -1.965 10.155 120 HA ALA 16 HA ALA 16 11.103 -4.171 11.869 121 1HB ALA 16 1HB ALA 16 10.507 -1.305 12.588 122 2HB ALA 16 2HB ALA 16 12.107 -1.979 12.279 123 3HB ALA 16 3HB ALA 16 11.169 -2.530 13.668 124 H ARG 17 H ARG 17 8.241 -2.572 10.814 125 HA ARG 17 HA ARG 17 6.586 -3.306 13.021 126 1HB ARG 17 1HB ARG 17 5.901 -2.499 10.193 127 2HB ARG 17 2HB ARG 17 4.719 -2.725 11.475 128 1HG ARG 17 1HG ARG 17 6.962 -0.717 11.505 129 2HG ARG 17 2HG ARG 17 5.270 -0.369 11.142 130 1HD ARG 17 1HD ARG 17 4.635 -1.122 13.366 131 2HD ARG 17 2HD ARG 17 6.312 -1.501 13.734 132 HE ARG 17 HE ARG 17 6.644 1.014 13.269 133 1HH1 ARG 17 1HH1 ARG 17 3.764 -0.370 14.704 134 2HH1 ARG 17 2HH1 ARG 17 3.453 0.996 15.733 135 1HH2 ARG 17 1HH2 ARG 17 6.238 2.818 14.609 136 2HH2 ARG 17 2HH2 ARG 17 4.859 2.831 15.666 137 H GLY 18 H GLY 18 7.917 -5.028 10.419 138 1HA GLY 18 1HA GLY 18 7.771 -7.437 10.477 139 2HA GLY 18 2HA GLY 18 6.109 -7.279 11.025 140 H TRP 19 H TRP 19 6.949 -5.109 8.560 141 HA TRP 19 HA TRP 19 5.216 -6.481 6.704 142 1HB TRP 19 1HB TRP 19 6.676 -3.835 6.487 143 2HB TRP 19 2HB TRP 19 5.546 -4.458 5.288 144 HD1 TRP 19 HD1 TRP 19 3.938 -5.473 8.299 145 HE1 TRP 19 HE1 TRP 19 2.229 -3.750 9.148 146 HE3 TRP 19 HE3 TRP 19 5.443 -1.430 5.553 147 HZ2 TRP 19 HZ2 TRP 19 1.596 -1.030 8.703 148 HZ3 TRP 19 HZ3 TRP 19 4.228 0.693 5.822 149 HH2 TRP 19 HH2 TRP 19 2.342 0.886 7.366 150 H THR 20 H THR 20 5.870 -7.793 5.162 151 HA THR 20 HA THR 20 8.727 -8.279 4.909 152 HB THR 20 HB THR 20 6.392 -9.893 3.869 153 HG1 THR 20 HG1 THR 20 7.833 -9.896 6.309 154 1HG2 THR 20 1HG2 THR 20 8.011 -11.724 3.702 155 2HG2 THR 20 2HG2 THR 20 9.297 -10.640 4.235 156 3HG2 THR 20 3HG2 THR 20 8.493 -10.362 2.690 157 HA PRO 21 HA PRO 21 8.936 -6.365 0.848 158 1HB PRO 21 1HB PRO 21 11.387 -7.986 0.580 159 2HB PRO 21 2HB PRO 21 11.187 -6.234 0.499 160 1HG PRO 21 1HG PRO 21 12.370 -7.415 2.594 161 2HG PRO 21 2HG PRO 21 11.361 -5.970 2.782 162 1HD PRO 21 1HD PRO 21 10.695 -8.832 3.348 163 2HD PRO 21 2HD PRO 21 10.275 -7.373 4.269 164 H VAL 22 H VAL 22 7.748 -7.107 -0.777 165 HA VAL 22 HA VAL 22 7.798 -9.985 -1.349 166 HB VAL 22 HB VAL 22 5.596 -9.056 -0.763 167 1HG1 VAL 22 1HG1 VAL 22 5.879 -6.795 -1.612 168 2HG1 VAL 22 2HG1 VAL 22 4.435 -7.543 -2.296 169 3HG1 VAL 22 3HG1 VAL 22 5.902 -7.407 -3.267 170 1HG2 VAL 22 1HG2 VAL 22 5.712 -11.002 -2.218 171 2HG2 VAL 22 2HG2 VAL 22 5.807 -9.955 -3.633 172 3HG2 VAL 22 3HG2 VAL 22 4.341 -9.982 -2.652 173 H SER 23 H SER 23 8.271 -10.755 -3.331 174 HA SER 23 HA SER 23 9.476 -8.902 -5.225 175 1HB SER 23 1HB SER 23 9.402 -11.921 -5.375 176 2HB SER 23 2HB SER 23 10.522 -10.830 -6.188 177 HG SER 23 HG SER 23 11.271 -10.218 -4.050 178 H GLU 24 H GLU 24 8.908 -8.891 -7.453 179 HA GLU 24 HA GLU 24 6.177 -8.680 -7.922 180 1HB GLU 24 1HB GLU 24 7.752 -7.450 -9.245 181 2HB GLU 24 2HB GLU 24 8.499 -8.931 -9.829 182 1HG GLU 24 1HG GLU 24 5.647 -8.731 -10.430 183 2HG GLU 24 2HG GLU 24 6.629 -7.463 -11.161 184 H SER 25 H SER 25 8.396 -11.266 -8.947 185 HA SER 25 HA SER 25 6.196 -12.764 -10.093 186 1HB SER 25 1HB SER 25 9.123 -13.466 -9.803 187 2HB SER 25 2HB SER 25 7.936 -14.352 -10.755 188 HG SER 25 HG SER 25 7.702 -11.923 -11.607 189 H ARG 26 H ARG 26 6.783 -12.255 -7.092 190 HA ARG 26 HA ARG 26 6.323 -15.032 -6.218 191 1HB ARG 26 1HB ARG 26 8.498 -14.097 -5.446 192 2HB ARG 26 2HB ARG 26 7.628 -12.800 -4.642 193 1HG ARG 26 1HG ARG 26 8.266 -14.463 -3.033 194 2HG ARG 26 2HG ARG 26 6.511 -14.468 -3.215 195 1HD ARG 26 1HD ARG 26 6.621 -16.426 -4.620 196 2HD ARG 26 2HD ARG 26 8.383 -16.381 -4.602 197 HE ARG 26 HE ARG 26 6.628 -17.249 -2.435 198 1HH1 ARG 26 1HH1 ARG 26 9.860 -16.579 -3.582 199 2HH1 ARG 26 2HH1 ARG 26 10.648 -17.430 -2.291 200 1HH2 ARG 26 1HH2 ARG 26 7.637 -18.382 -0.729 201 2HH2 ARG 26 2HH2 ARG 26 9.382 -18.448 -0.653 202 H LEU 27 H LEU 27 5.100 -11.953 -6.561 203 HA LEU 27 HA LEU 27 3.517 -11.485 -4.336 204 1HB LEU 27 1HB LEU 27 3.975 -9.997 -6.348 205 2HB LEU 27 2HB LEU 27 2.730 -10.891 -7.189 206 HG LEU 27 HG LEU 27 2.042 -8.656 -6.260 207 1HD1 LEU 27 1HD1 LEU 27 0.503 -11.051 -5.276 208 2HD1 LEU 27 2HD1 LEU 27 0.376 -10.306 -6.871 209 3HD1 LEU 27 3HD1 LEU 27 -0.126 -9.410 -5.436 210 1HD2 LEU 27 1HD2 LEU 27 3.251 -8.741 -4.158 211 2HD2 LEU 27 2HD2 LEU 27 2.261 -10.105 -3.625 212 3HD2 LEU 27 3HD2 LEU 27 1.523 -8.523 -3.878 213 H ASP 28 H ASP 28 2.851 -13.435 -7.203 214 HA ASP 28 HA ASP 28 0.131 -13.939 -6.641 215 1HB ASP 28 1HB ASP 28 1.040 -14.239 -8.876 216 2HB ASP 28 2HB ASP 28 2.106 -15.516 -8.300 217 H ASP 29 H ASP 29 3.062 -15.764 -5.906 218 HA ASP 29 HA ASP 29 1.877 -18.074 -4.850 219 1HB ASP 29 1HB ASP 29 4.329 -17.653 -5.421 220 2HB ASP 29 2HB ASP 29 4.456 -16.864 -3.863 221 H TRP 30 H TRP 30 3.221 -15.278 -3.175 222 HA TRP 30 HA TRP 30 2.438 -16.062 -0.592 223 1HB TRP 30 1HB TRP 30 4.174 -14.339 -1.140 224 2HB TRP 30 2HB TRP 30 2.876 -13.228 -1.555 225 HD1 TRP 30 HD1 TRP 30 2.306 -15.412 1.488 226 HE1 TRP 30 HE1 TRP 30 2.449 -13.961 3.616 227 HE3 TRP 30 HE3 TRP 30 4.115 -11.105 -0.590 228 HZ2 TRP 30 HZ2 TRP 30 3.239 -11.341 4.313 229 HZ3 TRP 30 HZ3 TRP 30 4.541 -9.177 0.878 230 HH2 TRP 30 HH2 TRP 30 4.112 -9.294 3.275 231 H LEU 31 H LEU 31 0.788 -14.065 -3.016 232 HA LEU 31 HA LEU 31 -1.316 -13.248 -1.278 233 1HB LEU 31 1HB LEU 31 -0.434 -12.366 -3.645 234 2HB LEU 31 2HB LEU 31 -1.746 -13.373 -4.218 235 HG LEU 31 HG LEU 31 -2.334 -10.962 -3.952 236 1HD1 LEU 31 1HD1 LEU 31 -4.473 -11.327 -2.836 237 2HD1 LEU 31 2HD1 LEU 31 -3.883 -12.868 -2.209 238 3HD1 LEU 31 3HD1 LEU 31 -4.084 -12.642 -3.945 239 1HD2 LEU 31 1HD2 LEU 31 -1.011 -10.463 -1.986 240 2HD2 LEU 31 2HD2 LEU 31 -1.994 -11.560 -1.016 241 3HD2 LEU 31 3HD2 LEU 31 -2.710 -10.095 -1.689 242 H THR 32 H THR 32 -0.792 -16.039 -3.320 243 HA THR 32 HA THR 32 -3.532 -16.862 -3.342 244 HB THR 32 HB THR 32 -1.506 -17.508 -4.947 245 HG1 THR 32 HG1 THR 32 -3.120 -18.504 -5.837 246 1HG2 THR 32 1HG2 THR 32 -1.591 -19.820 -3.009 247 2HG2 THR 32 2HG2 THR 32 -0.218 -18.747 -3.286 248 3HG2 THR 32 3HG2 THR 32 -0.775 -19.818 -4.573 249 H GLN 33 H GLN 33 -0.805 -17.352 -1.218 250 HA GLN 33 HA GLN 33 -2.191 -19.414 0.284 251 1HB GLN 33 1HB GLN 33 0.489 -18.093 0.718 252 2HB GLN 33 2HB GLN 33 -0.156 -19.401 1.693 253 1HG GLN 33 1HG GLN 33 -0.322 -20.708 -0.499 254 2HG GLN 33 2HG GLN 33 0.734 -19.460 -1.162 255 1HE2 GLN 33 1HE2 GLN 33 0.456 -22.093 1.070 256 2HE2 GLN 33 2HE2 GLN 33 2.152 -22.296 1.373 257 H ALA 34 H ALA 34 -1.066 -16.088 0.746 258 HA ALA 34 HA ALA 34 -2.777 -15.890 3.131 259 1HB ALA 34 1HB ALA 34 -0.427 -15.328 3.505 260 2HB ALA 34 2HB ALA 34 -1.465 -13.918 3.725 261 3HB ALA 34 3HB ALA 34 -0.517 -14.096 2.246 262 HA PRO 35 HA PRO 35 -5.220 -13.904 -0.118 263 1HB PRO 35 1HB PRO 35 -7.471 -14.311 1.689 264 2HB PRO 35 2HB PRO 35 -7.176 -15.011 0.097 265 1HG PRO 35 1HG PRO 35 -7.080 -16.474 2.371 266 2HG PRO 35 2HG PRO 35 -6.070 -16.835 0.958 267 1HD PRO 35 1HD PRO 35 -5.356 -15.390 3.485 268 2HD PRO 35 2HD PRO 35 -4.426 -16.608 2.585 269 H ASP 36 H ASP 36 -5.807 -11.887 -0.419 270 HA ASP 36 HA ASP 36 -6.612 -9.793 -0.151 271 1HB ASP 36 1HB ASP 36 -8.087 -11.105 1.656 272 2HB ASP 36 2HB ASP 36 -7.171 -10.076 2.748 273 H GLY 37 H GLY 37 -6.164 -7.729 1.119 274 1HA GLY 37 1HA GLY 37 -4.506 -6.912 2.869 275 2HA GLY 37 2HA GLY 37 -3.337 -7.842 1.947 276 H VAL 38 H VAL 38 -2.228 -5.767 1.856 277 HA VAL 38 HA VAL 38 -3.116 -4.166 -0.436 278 HB VAL 38 HB VAL 38 -2.370 -2.081 0.750 279 1HG1 VAL 38 1HG1 VAL 38 -4.432 -1.797 2.042 280 2HG1 VAL 38 2HG1 VAL 38 -4.705 -3.539 1.986 281 3HG1 VAL 38 3HG1 VAL 38 -4.740 -2.594 0.498 282 1HG2 VAL 38 1HG2 VAL 38 -2.428 -3.891 3.166 283 2HG2 VAL 38 2HG2 VAL 38 -2.339 -2.131 3.227 284 3HG2 VAL 38 3HG2 VAL 38 -1.022 -3.056 2.507 285 H VAL 39 H VAL 39 -1.405 -3.034 -1.508 286 HA VAL 39 HA VAL 39 1.296 -4.043 -0.858 287 HB VAL 39 HB VAL 39 0.144 -3.663 -3.633 288 1HG1 VAL 39 1HG1 VAL 39 2.547 -3.189 -3.519 289 2HG1 VAL 39 2HG1 VAL 39 2.227 -4.668 -4.426 290 3HG1 VAL 39 3HG1 VAL 39 2.822 -4.761 -2.769 291 1HG2 VAL 39 1HG2 VAL 39 0.791 -6.194 -2.119 292 2HG2 VAL 39 2HG2 VAL 39 0.319 -6.115 -3.815 293 3HG2 VAL 39 3HG2 VAL 39 -0.818 -5.620 -2.560 294 H LEU 40 H LEU 40 2.859 -2.539 -0.747 295 HA LEU 40 HA LEU 40 2.158 0.219 -1.484 296 1HB LEU 40 1HB LEU 40 4.247 -0.892 0.392 297 2HB LEU 40 2HB LEU 40 4.204 0.790 -0.091 298 HG LEU 40 HG LEU 40 1.855 0.876 0.872 299 1HD1 LEU 40 1HD1 LEU 40 2.727 -1.726 2.110 300 2HD1 LEU 40 2HD1 LEU 40 1.412 -1.512 0.954 301 3HD1 LEU 40 3HD1 LEU 40 1.297 -0.795 2.562 302 1HD2 LEU 40 1HD2 LEU 40 4.163 0.321 2.722 303 2HD2 LEU 40 2HD2 LEU 40 2.664 1.139 3.166 304 3HD2 LEU 40 3HD2 LEU 40 3.758 1.874 1.994 305 H LEU 41 H LEU 41 3.337 1.387 -2.935 306 HA LEU 41 HA LEU 41 5.394 -0.096 -4.420 307 1HB LEU 41 1HB LEU 41 3.760 2.305 -5.243 308 2HB LEU 41 2HB LEU 41 4.994 1.552 -6.232 309 HG LEU 41 HG LEU 41 2.378 0.318 -5.371 310 1HD1 LEU 41 1HD1 LEU 41 2.166 1.942 -7.163 311 2HD1 LEU 41 2HD1 LEU 41 1.912 0.309 -7.774 312 3HD1 LEU 41 3HD1 LEU 41 3.444 1.132 -8.068 313 1HD2 LEU 41 1HD2 LEU 41 4.176 -1.351 -5.380 314 2HD2 LEU 41 2HD2 LEU 41 4.590 -0.885 -7.030 315 3HD2 LEU 41 3HD2 LEU 41 3.022 -1.618 -6.688 316 H SER 42 H SER 42 6.973 1.545 -5.579 317 HA SER 42 HA SER 42 8.386 2.854 -3.417 318 1HB SER 42 1HB SER 42 9.711 1.460 -4.860 319 2HB SER 42 2HB SER 42 9.111 2.282 -6.298 320 HG SER 42 HG SER 42 10.724 3.576 -6.078 321 H SER 43 H SER 43 9.226 5.003 -3.604 322 HA SER 43 HA SER 43 7.173 6.798 -4.567 323 1HB SER 43 1HB SER 43 9.699 7.451 -3.043 324 2HB SER 43 2HB SER 43 8.257 8.458 -3.203 325 HG SER 43 HG SER 43 7.443 6.142 -2.278 326 H ASP 44 H ASP 44 10.638 6.248 -5.101 327 HA ASP 44 HA ASP 44 12.189 7.284 -6.399 328 1HB ASP 44 1HB ASP 44 10.966 6.123 -8.184 329 2HB ASP 44 2HB ASP 44 9.872 7.494 -8.333 330 HA PRO 45 HA PRO 45 10.758 11.442 -5.074 331 1HB PRO 45 1HB PRO 45 13.484 11.699 -4.047 332 2HB PRO 45 2HB PRO 45 11.952 11.817 -3.178 333 1HG PRO 45 1HG PRO 45 13.661 9.746 -2.847 334 2HG PRO 45 2HG PRO 45 11.903 9.567 -2.702 335 1HD PRO 45 1HD PRO 45 13.702 8.859 -4.990 336 2HD PRO 45 2HD PRO 45 12.312 7.967 -4.331 337 H LYS 46 H LYS 46 10.903 13.141 -6.378 338 HA LYS 46 HA LYS 46 13.247 13.357 -8.132 339 1HB LYS 46 1HB LYS 46 10.867 13.129 -9.083 340 2HB LYS 46 2HB LYS 46 10.628 14.777 -8.527 341 1HG LYS 46 1HG LYS 46 12.474 15.529 -9.934 342 2HG LYS 46 2HG LYS 46 12.723 13.871 -10.485 343 1HD LYS 46 1HD LYS 46 10.367 13.886 -11.332 344 2HD LYS 46 2HD LYS 46 10.305 15.609 -10.947 345 1HE LYS 46 1HE LYS 46 12.219 14.270 -12.857 346 2HE LYS 46 2HE LYS 46 10.825 15.256 -13.301 347 1HZ LYS 46 1HZ LYS 46 13.258 16.174 -11.863 348 2HZ LYS 46 2HZ LYS 46 11.892 17.138 -12.146 349 3HZ LYS 46 3HZ LYS 46 12.808 16.564 -13.449 350 H ARG 47 H ARG 47 10.890 15.424 -6.464 351 HA ARG 47 HA ARG 47 13.117 17.156 -5.631 352 1HB ARG 47 1HB ARG 47 10.368 18.026 -6.547 353 2HB ARG 47 2HB ARG 47 11.556 19.087 -5.809 354 1HG ARG 47 1HG ARG 47 13.089 18.677 -7.659 355 2HG ARG 47 2HG ARG 47 11.905 17.602 -8.402 356 1HD ARG 47 1HD ARG 47 11.809 19.772 -9.451 357 2HD ARG 47 2HD ARG 47 10.324 19.482 -8.548 358 HE ARG 47 HE ARG 47 12.097 20.856 -6.872 359 1HH1 ARG 47 1HH1 ARG 47 10.281 21.389 -9.823 360 2HH1 ARG 47 2HH1 ARG 47 10.151 23.105 -9.580 361 1HH2 ARG 47 1HH2 ARG 47 11.914 23.113 -6.542 362 2HH2 ARG 47 2HH2 ARG 47 11.074 24.091 -7.719 363 H THR 48 H THR 48 10.765 15.092 -4.709 364 HA THR 48 HA THR 48 9.708 16.463 -2.420 365 HB THR 48 HB THR 48 9.550 13.492 -2.773 366 HG1 THR 48 HG1 THR 48 7.840 15.261 -4.210 367 1HG2 THR 48 1HG2 THR 48 8.445 14.526 -0.852 368 2HG2 THR 48 2HG2 THR 48 7.248 13.878 -1.977 369 3HG2 THR 48 3HG2 THR 48 7.566 15.612 -1.929 370 HA PRO 49 HA PRO 49 13.276 15.192 0.029 371 1HB PRO 49 1HB PRO 49 12.382 16.982 2.087 372 2HB PRO 49 2HB PRO 49 13.719 17.204 0.956 373 1HG PRO 49 1HG PRO 49 11.405 18.701 0.958 374 2HG PRO 49 2HG PRO 49 12.471 18.497 -0.442 375 1HD PRO 49 1HD PRO 49 9.898 17.116 0.203 376 2HD PRO 49 2HD PRO 49 10.512 17.681 -1.367 377 H GLU 50 H GLU 50 10.461 16.039 2.042 378 HA GLU 50 HA GLU 50 10.992 13.682 3.660 379 1HB GLU 50 1HB GLU 50 9.251 16.088 4.218 380 2HB GLU 50 2HB GLU 50 9.498 14.743 5.324 381 1HG GLU 50 1HG GLU 50 11.572 16.697 4.360 382 2HG GLU 50 2HG GLU 50 10.885 16.587 5.979 383 H VAL 51 H VAL 51 10.144 12.310 2.068 384 HA VAL 51 HA VAL 51 7.438 12.316 1.231 385 HB VAL 51 HB VAL 51 9.338 9.970 1.388 386 1HG1 VAL 51 1HG1 VAL 51 6.894 10.412 -0.325 387 2HG1 VAL 51 2HG1 VAL 51 7.027 9.289 1.028 388 3HG1 VAL 51 3HG1 VAL 51 7.986 9.031 -0.428 389 1HG2 VAL 51 1HG2 VAL 51 8.901 11.956 -0.842 390 2HG2 VAL 51 2HG2 VAL 51 9.882 10.495 -0.957 391 3HG2 VAL 51 3HG2 VAL 51 10.354 11.790 0.145 392 H SER 52 H SER 52 8.978 11.252 4.139 393 HA SER 52 HA SER 52 7.392 9.141 4.942 394 1HB SER 52 1HB SER 52 8.221 10.643 7.187 395 2HB SER 52 2HB SER 52 8.989 9.218 6.495 396 HG SER 52 HG SER 52 10.257 11.273 6.642 397 H ASP 53 H ASP 53 7.209 12.440 6.196 398 HA ASP 53 HA ASP 53 5.579 13.698 7.096 399 1HB ASP 53 1HB ASP 53 4.649 13.550 4.832 400 2HB ASP 53 2HB ASP 53 3.760 12.102 5.292 401 H ASN 54 H ASN 54 3.436 10.876 6.743 402 HA ASN 54 HA ASN 54 3.443 10.517 9.646 403 1HB ASN 54 1HB ASN 54 1.738 12.259 9.185 404 2HB ASN 54 2HB ASN 54 0.909 11.137 8.111 405 1HD2 ASN 54 1HD2 ASN 54 2.432 10.276 11.158 406 2HD2 ASN 54 2HD2 ASN 54 0.974 9.852 11.976 407 HA PRO 55 HA PRO 55 2.735 6.437 7.830 408 1HB PRO 55 1HB PRO 55 4.663 5.146 9.142 409 2HB PRO 55 2HB PRO 55 5.053 6.235 7.807 410 1HG PRO 55 1HG PRO 55 5.389 6.633 10.730 411 2HG PRO 55 2HG PRO 55 6.340 7.287 9.388 412 1HD PRO 55 1HD PRO 55 4.249 8.585 10.829 413 2HD PRO 55 2HD PRO 55 5.121 9.191 9.408 414 H VAL 56 H VAL 56 2.838 4.198 9.227 415 HA VAL 56 HA VAL 56 2.139 2.883 10.940 416 HB VAL 56 HB VAL 56 1.893 5.436 12.544 417 1HG1 VAL 56 1HG1 VAL 56 1.867 3.986 14.511 418 2HG1 VAL 56 2HG1 VAL 56 1.860 2.562 13.470 419 3HG1 VAL 56 3HG1 VAL 56 0.482 3.664 13.466 420 1HG2 VAL 56 1HG2 VAL 56 4.067 3.344 12.458 421 2HG2 VAL 56 2HG2 VAL 56 4.005 4.714 13.568 422 3HG2 VAL 56 3HG2 VAL 56 4.178 4.991 11.835 423 H MET 57 H MET 57 0.186 5.750 10.311 424 HA MET 57 HA MET 57 -2.172 5.058 11.559 425 1HB MET 57 1HB MET 57 -3.299 6.563 9.987 426 2HB MET 57 2HB MET 57 -1.801 7.250 10.592 427 1HG MET 57 1HG MET 57 -0.676 6.689 8.518 428 2HG MET 57 2HG MET 57 -2.150 5.937 7.910 429 1HE MET 57 1HE MET 57 -1.898 7.448 5.716 430 2HE MET 57 2HE MET 57 -0.467 8.232 6.385 431 3HE MET 57 3HE MET 57 -1.792 9.208 5.752 432 H ILE 58 H ILE 58 -0.851 3.672 8.672 433 HA ILE 58 HA ILE 58 -3.168 2.683 7.457 434 HB ILE 58 HB ILE 58 -0.357 1.571 7.478 435 1HG1 ILE 58 1HG1 ILE 58 -0.497 2.356 5.048 436 2HG1 ILE 58 2HG1 ILE 58 -1.954 3.217 5.519 437 1HG2 ILE 58 1HG2 ILE 58 -2.674 0.666 5.770 438 2HG2 ILE 58 2HG2 ILE 58 -1.929 -0.257 7.075 439 3HG2 ILE 58 3HG2 ILE 58 -1.001 0.124 5.625 440 1HD1 ILE 58 1HD1 ILE 58 0.019 4.656 5.476 441 2HD1 ILE 58 2HD1 ILE 58 0.775 3.643 6.708 442 3HD1 ILE 58 3HD1 ILE 58 -0.688 4.553 7.089 443 H GLY 59 H GLY 59 -1.219 1.401 10.116 444 1HA GLY 59 1HA GLY 59 -2.444 -1.151 10.228 445 2HA GLY 59 2HA GLY 59 -1.552 -0.382 11.532 446 H GLU 60 H GLU 60 -3.204 1.913 11.787 447 HA GLU 60 HA GLU 60 -5.233 0.849 13.473 448 1HB GLU 60 1HB GLU 60 -4.774 3.699 12.577 449 2HB GLU 60 2HB GLU 60 -5.756 3.183 13.939 450 1HG GLU 60 1HG GLU 60 -2.783 2.824 13.669 451 2HG GLU 60 2HG GLU 60 -3.599 4.019 14.673 452 H LEU 61 H LEU 61 -5.122 2.120 10.230 453 HA LEU 61 HA LEU 61 -7.863 2.498 9.760 454 1HB LEU 61 1HB LEU 61 -6.146 3.259 8.210 455 2HB LEU 61 2HB LEU 61 -5.669 1.604 7.886 456 HG LEU 61 HG LEU 61 -7.962 1.223 6.928 457 1HD1 LEU 61 1HD1 LEU 61 -9.128 3.062 8.005 458 2HD1 LEU 61 2HD1 LEU 61 -9.244 3.201 6.250 459 3HD1 LEU 61 3HD1 LEU 61 -8.123 4.227 7.144 460 1HD2 LEU 61 1HD2 LEU 61 -6.044 1.551 5.503 461 2HD2 LEU 61 2HD2 LEU 61 -6.200 3.301 5.645 462 3HD2 LEU 61 3HD2 LEU 61 -7.445 2.369 4.814 463 H LEU 62 H LEU 62 -5.806 -0.342 9.437 464 HA LEU 62 HA LEU 62 -7.762 -2.120 8.458 465 1HB LEU 62 1HB LEU 62 -5.100 -2.411 9.781 466 2HB LEU 62 2HB LEU 62 -6.108 -3.832 9.593 467 HG LEU 62 HG LEU 62 -6.021 -3.690 7.209 468 1HD1 LEU 62 1HD1 LEU 62 -4.572 -1.064 7.528 469 2HD1 LEU 62 2HD1 LEU 62 -6.231 -1.264 6.963 470 3HD1 LEU 62 3HD1 LEU 62 -4.891 -1.901 6.009 471 1HD2 LEU 62 1HD2 LEU 62 -3.300 -3.092 8.359 472 2HD2 LEU 62 2HD2 LEU 62 -3.617 -3.847 6.796 473 3HD2 LEU 62 3HD2 LEU 62 -4.073 -4.676 8.284 474 H ARG 63 H ARG 63 -7.030 -0.974 11.643 475 HA ARG 63 HA ARG 63 -8.225 -3.029 13.157 476 1HB ARG 63 1HB ARG 63 -7.727 -0.119 13.759 477 2HB ARG 63 2HB ARG 63 -8.398 -1.235 14.940 478 1HG ARG 63 1HG ARG 63 -5.741 -1.604 13.572 479 2HG ARG 63 2HG ARG 63 -5.957 -0.869 15.162 480 1HD ARG 63 1HD ARG 63 -6.995 -2.940 15.965 481 2HD ARG 63 2HD ARG 63 -6.759 -3.669 14.378 482 HE ARG 63 HE ARG 63 -4.520 -3.950 14.852 483 1HH1 ARG 63 1HH1 ARG 63 -6.039 -1.999 17.336 484 2HH1 ARG 63 2HH1 ARG 63 -4.668 -2.069 18.403 485 1HH2 ARG 63 1HH2 ARG 63 -2.709 -4.021 16.261 486 2HH2 ARG 63 2HH2 ARG 63 -2.789 -3.191 17.791 487 H GLU 64 H GLU 64 -9.626 -0.581 11.216 488 HA GLU 64 HA GLU 64 -12.127 -0.379 12.559 489 1HB GLU 64 1HB GLU 64 -11.299 0.208 9.718 490 2HB GLU 64 2HB GLU 64 -12.930 0.484 10.314 491 1HG GLU 64 1HG GLU 64 -10.418 1.758 11.376 492 2HG GLU 64 2HG GLU 64 -11.615 2.529 10.333 493 H PHE 65 H PHE 65 -10.820 -2.536 10.113 494 HA PHE 65 HA PHE 65 -13.149 -4.261 10.471 495 1HB PHE 65 1HB PHE 65 -13.524 -2.815 8.442 496 2HB PHE 65 2HB PHE 65 -12.108 -3.562 7.719 497 HD1 PHE 65 HD1 PHE 65 -12.389 -5.409 6.377 498 HD2 PHE 65 HD2 PHE 65 -15.368 -4.475 9.270 499 HE1 PHE 65 HE1 PHE 65 -13.798 -7.224 5.505 500 HE2 PHE 65 HE2 PHE 65 -16.781 -6.295 8.404 501 HZ PHE 65 HZ PHE 65 -15.993 -7.671 6.519 502 HA PRO 66 HA PRO 66 -9.209 -6.637 10.398 503 1HB PRO 66 1HB PRO 66 -9.292 -7.634 12.871 504 2HB PRO 66 2HB PRO 66 -8.799 -5.961 12.580 505 1HG PRO 66 1HG PRO 66 -11.390 -7.026 13.601 506 2HG PRO 66 2HG PRO 66 -10.528 -5.545 14.049 507 1HD PRO 66 1HD PRO 66 -12.681 -5.725 12.261 508 2HD PRO 66 2HD PRO 66 -11.586 -4.341 12.440 509 H ASP 67 H ASP 67 -12.215 -7.335 9.867 510 HA ASP 67 HA ASP 67 -12.681 -9.930 10.865 511 1HB ASP 67 1HB ASP 67 -14.463 -8.427 10.037 512 2HB ASP 67 2HB ASP 67 -13.858 -8.642 8.399 513 H TYR 68 H TYR 68 -10.870 -8.801 8.180 514 HA TYR 68 HA TYR 68 -10.472 -11.545 7.260 515 1HB TYR 68 1HB TYR 68 -10.508 -8.940 5.744 516 2HB TYR 68 2HB TYR 68 -9.770 -10.391 5.088 517 HD1 TYR 68 HD1 TYR 68 -11.154 -12.345 4.529 518 HD2 TYR 68 HD2 TYR 68 -12.894 -8.704 5.865 519 HE1 TYR 68 HE1 TYR 68 -13.344 -13.095 3.702 520 HE2 TYR 68 HE2 TYR 68 -15.089 -9.444 5.045 521 HH TYR 68 HH TYR 68 -15.996 -11.017 3.378 522 H THR 69 H THR 69 -8.324 -11.841 6.235 523 HA THR 69 HA THR 69 -6.283 -10.849 8.023 524 HB THR 69 HB THR 69 -4.788 -12.386 6.669 525 HG1 THR 69 HG1 THR 69 -6.289 -12.427 4.824 526 1HG2 THR 69 1HG2 THR 69 -5.688 -14.421 7.715 527 2HG2 THR 69 2HG2 THR 69 -7.204 -13.579 8.037 528 3HG2 THR 69 3HG2 THR 69 -5.718 -13.050 8.823 529 H TRP 70 H TRP 70 -5.558 -8.873 7.580 530 HA TRP 70 HA TRP 70 -5.231 -8.011 4.819 531 1HB TRP 70 1HB TRP 70 -4.918 -6.546 7.442 532 2HB TRP 70 2HB TRP 70 -4.626 -5.814 5.869 533 HD1 TRP 70 HD1 TRP 70 -7.395 -6.727 8.260 534 HE1 TRP 70 HE1 TRP 70 -9.639 -5.877 7.323 535 HE3 TRP 70 HE3 TRP 70 -5.866 -5.444 3.559 536 HZ2 TRP 70 HZ2 TRP 70 -10.626 -4.815 4.898 537 HZ3 TRP 70 HZ3 TRP 70 -7.515 -4.521 1.989 538 HH2 TRP 70 HH2 TRP 70 -9.851 -4.214 2.646 539 H GLN 71 H GLN 71 -3.436 -8.871 3.938 540 HA GLN 71 HA GLN 71 -0.943 -8.875 5.434 541 1HB GLN 71 1HB GLN 71 -1.782 -9.916 2.749 542 2HB GLN 71 2HB GLN 71 -0.076 -9.725 3.123 543 1HG GLN 71 1HG GLN 71 -0.802 -11.998 3.508 544 2HG GLN 71 2HG GLN 71 -0.315 -11.237 5.018 545 1HE2 GLN 71 1HE2 GLN 71 -3.020 -12.321 3.107 546 2HE2 GLN 71 2HE2 GLN 71 -4.154 -12.414 4.406 547 H VAL 72 H VAL 72 0.417 -7.223 5.428 548 HA VAL 72 HA VAL 72 0.076 -5.131 3.406 549 HB VAL 72 HB VAL 72 1.741 -5.022 5.927 550 1HG1 VAL 72 1HG1 VAL 72 0.801 -2.866 4.042 551 2HG1 VAL 72 2HG1 VAL 72 2.455 -3.445 4.232 552 3HG1 VAL 72 3HG1 VAL 72 1.662 -2.592 5.557 553 1HG2 VAL 72 1HG2 VAL 72 -0.088 -3.712 6.902 554 2HG2 VAL 72 2HG2 VAL 72 -0.619 -5.342 6.484 555 3HG2 VAL 72 3HG2 VAL 72 -1.051 -3.979 5.451 556 H ALA 73 H ALA 73 1.275 -5.454 1.656 557 HA ALA 73 HA ALA 73 3.931 -6.682 1.985 558 1HB ALA 73 1HB ALA 73 2.193 -6.556 -0.478 559 2HB ALA 73 2HB ALA 73 2.344 -7.942 0.602 560 3HB ALA 73 3HB ALA 73 3.737 -7.395 -0.330 561 H ILE 74 H ILE 74 5.639 -5.436 1.706 562 HA ILE 74 HA ILE 74 5.394 -3.055 -0.013 563 HB ILE 74 HB ILE 74 7.441 -2.215 1.121 564 1HG1 ILE 74 1HG1 ILE 74 6.998 -4.552 2.997 565 2HG1 ILE 74 2HG1 ILE 74 8.331 -4.400 1.854 566 1HG2 ILE 74 1HG2 ILE 74 5.138 -2.831 2.967 567 2HG2 ILE 74 2HG2 ILE 74 5.234 -1.480 1.836 568 3HG2 ILE 74 3HG2 ILE 74 6.345 -1.565 3.205 569 1HD1 ILE 74 1HD1 ILE 74 9.016 -3.836 4.121 570 2HD1 ILE 74 2HD1 ILE 74 7.791 -2.567 4.183 571 3HD1 ILE 74 3HD1 ILE 74 9.135 -2.442 3.050 572 H ALA 75 H ALA 75 6.988 -2.738 -1.636 573 HA ALA 75 HA ALA 75 8.418 -5.232 -2.274 574 1HB ALA 75 1HB ALA 75 6.534 -4.769 -3.765 575 2HB ALA 75 2HB ALA 75 8.073 -4.723 -4.625 576 3HB ALA 75 3HB ALA 75 7.258 -3.220 -4.194 577 H ASP 76 H ASP 76 10.445 -5.126 -3.237 578 HA ASP 76 HA ASP 76 12.211 -3.036 -2.623 579 1HB ASP 76 1HB ASP 76 12.424 -5.117 -4.816 580 2HB ASP 76 2HB ASP 76 13.746 -4.098 -4.264 581 H LEU 77 H LEU 77 13.489 -1.824 -4.312 582 HA LEU 77 HA LEU 77 11.902 -0.043 -5.748 583 1HB LEU 77 1HB LEU 77 14.796 -0.791 -6.193 584 2HB LEU 77 2HB LEU 77 14.009 0.603 -6.901 585 HG LEU 77 HG LEU 77 14.365 0.169 -3.938 586 1HD1 LEU 77 1HD1 LEU 77 16.511 0.489 -5.057 587 2HD1 LEU 77 2HD1 LEU 77 16.083 1.902 -4.095 588 3HD1 LEU 77 3HD1 LEU 77 15.890 1.939 -5.847 589 1HD2 LEU 77 1HD2 LEU 77 13.703 2.517 -3.769 590 2HD2 LEU 77 2HD2 LEU 77 12.429 1.541 -4.501 591 3HD2 LEU 77 3HD2 LEU 77 13.441 2.569 -5.514 592 H GLU 78 H GLU 78 13.765 -2.830 -6.927 593 HA GLU 78 HA GLU 78 12.973 -2.606 -9.634 594 1HB GLU 78 1HB GLU 78 13.921 -5.007 -8.068 595 2HB GLU 78 2HB GLU 78 13.781 -4.945 -9.819 596 1HG GLU 78 1HG GLU 78 15.520 -3.372 -10.000 597 2HG GLU 78 2HG GLU 78 15.501 -3.041 -8.267 598 H GLN 79 H GLN 79 11.535 -4.144 -6.855 599 HA GLN 79 HA GLN 79 9.864 -5.893 -8.382 600 1HB GLN 79 1HB GLN 79 9.633 -5.143 -5.464 601 2HB GLN 79 2HB GLN 79 8.881 -6.521 -6.254 602 1HG GLN 79 1HG GLN 79 11.819 -6.082 -5.778 603 2HG GLN 79 2HG GLN 79 10.773 -7.270 -5.003 604 1HE2 GLN 79 1HE2 GLN 79 13.220 -7.709 -6.487 605 2HE2 GLN 79 2HE2 GLN 79 12.803 -8.739 -7.821 606 H SER 80 H SER 80 9.333 -2.895 -6.548 607 HA SER 80 HA SER 80 6.527 -2.916 -6.835 608 1HB SER 80 1HB SER 80 6.664 -0.568 -6.060 609 2HB SER 80 2HB SER 80 7.634 -1.658 -5.069 610 HG SER 80 HG SER 80 8.434 0.323 -6.865 611 H GLU 81 H GLU 81 9.100 -1.350 -8.678 612 HA GLU 81 HA GLU 81 7.530 0.172 -10.400 613 1HB GLU 81 1HB GLU 81 10.194 -1.178 -10.852 614 2HB GLU 81 2HB GLU 81 9.478 -0.036 -11.974 615 1HG GLU 81 1HG GLU 81 10.139 0.600 -9.116 616 2HG GLU 81 2HG GLU 81 11.202 0.933 -10.481 617 H ALA 82 H ALA 82 8.639 -3.173 -10.646 618 HA ALA 82 HA ALA 82 7.514 -3.633 -13.210 619 1HB ALA 82 1HB ALA 82 7.972 -5.985 -12.790 620 2HB ALA 82 2HB ALA 82 8.268 -5.637 -11.087 621 3HB ALA 82 3HB ALA 82 9.353 -4.992 -12.321 622 H ILE 83 H ILE 83 6.375 -4.260 -9.907 623 HA ILE 83 HA ILE 83 4.027 -5.654 -10.589 624 HB ILE 83 HB ILE 83 4.584 -3.895 -8.190 625 1HG1 ILE 83 1HG1 ILE 83 4.589 -6.910 -8.501 626 2HG1 ILE 83 2HG1 ILE 83 6.024 -5.896 -8.390 627 1HG2 ILE 83 1HG2 ILE 83 2.179 -4.063 -8.562 628 2HG2 ILE 83 2HG2 ILE 83 2.659 -4.960 -7.122 629 3HG2 ILE 83 3HG2 ILE 83 2.303 -5.820 -8.618 630 1HD1 ILE 83 1HD1 ILE 83 5.410 -5.251 -6.130 631 2HD1 ILE 83 2HD1 ILE 83 5.522 -7.005 -6.276 632 3HD1 ILE 83 3HD1 ILE 83 3.941 -6.222 -6.238 633 H GLY 84 H GLY 84 4.630 -2.191 -10.090 634 1HA GLY 84 1HA GLY 84 1.956 -1.373 -10.584 635 2HA GLY 84 2HA GLY 84 3.378 -0.341 -10.645 636 H ASP 85 H ASP 85 4.817 -1.573 -12.673 637 HA ASP 85 HA ASP 85 3.658 -0.377 -14.948 638 1HB ASP 85 1HB ASP 85 6.124 -0.779 -14.519 639 2HB ASP 85 2HB ASP 85 5.845 -2.459 -14.952 640 H ARG 86 H ARG 86 3.808 -3.689 -13.826 641 HA ARG 86 HA ARG 86 2.998 -5.008 -16.147 642 1HB ARG 86 1HB ARG 86 3.963 -6.046 -14.088 643 2HB ARG 86 2HB ARG 86 2.415 -5.811 -13.295 644 1HG ARG 86 1HG ARG 86 1.343 -7.330 -14.840 645 2HG ARG 86 2HG ARG 86 2.847 -7.503 -15.748 646 1HD ARG 86 1HD ARG 86 3.923 -8.395 -13.709 647 2HD ARG 86 2HD ARG 86 2.368 -8.312 -12.888 648 HE ARG 86 HE ARG 86 1.564 -9.940 -14.602 649 1HH1 ARG 86 1HH1 ARG 86 4.988 -9.648 -13.944 650 2HH1 ARG 86 2HH1 ARG 86 5.330 -11.315 -14.307 651 1HH2 ARG 86 1HH2 ARG 86 2.023 -12.147 -15.073 652 2HH2 ARG 86 2HH2 ARG 86 3.656 -12.724 -14.925 653 H PHE 87 H PHE 87 1.147 -3.218 -13.806 654 HA PHE 87 HA PHE 87 -1.352 -4.194 -15.014 655 1HB PHE 87 1HB PHE 87 -1.166 -4.348 -12.544 656 2HB PHE 87 2HB PHE 87 -0.963 -2.601 -12.465 657 HD1 PHE 87 HD1 PHE 87 -2.827 -1.138 -12.600 658 HD2 PHE 87 HD2 PHE 87 -3.326 -5.311 -13.265 659 HE1 PHE 87 HE1 PHE 87 -5.269 -0.860 -12.473 660 HE2 PHE 87 HE2 PHE 87 -5.768 -5.042 -13.148 661 HZ PHE 87 HZ PHE 87 -6.743 -2.816 -12.749 662 H GLY 88 H GLY 88 0.381 -1.240 -14.141 663 1HA GLY 88 1HA GLY 88 0.343 0.575 -15.813 664 2HA GLY 88 2HA GLY 88 -1.373 0.237 -16.001 665 H VAL 89 H VAL 89 0.609 0.528 -13.082 666 HA VAL 89 HA VAL 89 -1.325 2.500 -12.071 667 HB VAL 89 HB VAL 89 0.711 0.949 -10.464 668 1HG1 VAL 89 1HG1 VAL 89 -0.693 1.526 -8.556 669 2HG1 VAL 89 2HG1 VAL 89 -1.806 2.384 -9.620 670 3HG1 VAL 89 3HG1 VAL 89 -0.159 2.980 -9.401 671 1HG2 VAL 89 1HG2 VAL 89 -1.113 -0.559 -9.825 672 2HG2 VAL 89 2HG2 VAL 89 -0.761 -0.640 -11.553 673 3HG2 VAL 89 3HG2 VAL 89 -2.175 0.248 -10.980 674 H PHE 90 H PHE 90 -0.493 4.323 -10.858 675 HA PHE 90 HA PHE 90 1.798 5.518 -12.108 676 1HB PHE 90 1HB PHE 90 0.084 6.535 -9.825 677 2HB PHE 90 2HB PHE 90 1.246 7.488 -10.743 678 HD1 PHE 90 HD1 PHE 90 0.782 8.072 -13.096 679 HD2 PHE 90 HD2 PHE 90 -2.089 6.065 -10.676 680 HE1 PHE 90 HE1 PHE 90 -0.984 8.669 -14.702 681 HE2 PHE 90 HE2 PHE 90 -3.859 6.659 -12.279 682 HZ PHE 90 HZ PHE 90 -3.306 7.964 -14.294 683 H ARG 91 H ARG 91 3.355 6.754 -10.598 684 HA ARG 91 HA ARG 91 4.472 4.794 -8.736 685 1HB ARG 91 1HB ARG 91 5.699 7.239 -10.022 686 2HB ARG 91 2HB ARG 91 6.539 6.159 -8.921 687 1HG ARG 91 1HG ARG 91 6.410 4.353 -10.468 688 2HG ARG 91 2HG ARG 91 5.333 5.269 -11.527 689 1HD ARG 91 1HD ARG 91 8.200 5.952 -10.884 690 2HD ARG 91 2HD ARG 91 7.611 5.257 -12.396 691 HE ARG 91 HE ARG 91 6.167 7.442 -12.363 692 1HH1 ARG 91 1HH1 ARG 91 9.544 7.077 -11.530 693 2HH1 ARG 91 2HH1 ARG 91 9.942 8.725 -11.886 694 1HH2 ARG 91 1HH2 ARG 91 6.688 9.589 -12.879 695 2HH2 ARG 91 2HH2 ARG 91 8.318 10.162 -12.679 696 H PHE 92 H PHE 92 6.110 6.585 -7.316 697 HA PHE 92 HA PHE 92 6.204 7.918 -5.495 698 1HB PHE 92 1HB PHE 92 3.554 8.870 -6.558 699 2HB PHE 92 2HB PHE 92 4.174 9.440 -5.011 700 HD1 PHE 92 HD1 PHE 92 6.244 10.749 -4.913 701 HD2 PHE 92 HD2 PHE 92 4.492 9.628 -8.625 702 HE1 PHE 92 HE1 PHE 92 7.607 12.440 -6.059 703 HE2 PHE 92 HE2 PHE 92 5.864 11.318 -9.781 704 HZ PHE 92 HZ PHE 92 7.421 12.723 -8.493 705 HA PRO 93 HA PRO 93 4.647 5.581 -2.162 706 1HB PRO 93 1HB PRO 93 3.661 7.394 -0.340 707 2HB PRO 93 2HB PRO 93 5.376 7.021 -0.548 708 1HG PRO 93 1HG PRO 93 3.782 9.298 -1.654 709 2HG PRO 93 2HG PRO 93 5.410 9.298 -0.961 710 1HD PRO 93 1HD PRO 93 5.026 9.377 -3.604 711 2HD PRO 93 2HD PRO 93 6.373 8.460 -2.896 712 H ALA 94 H ALA 94 2.930 4.372 -2.174 713 HA ALA 94 HA ALA 94 0.261 5.404 -1.989 714 1HB ALA 94 1HB ALA 94 -0.509 4.566 -4.149 715 2HB ALA 94 2HB ALA 94 1.144 4.124 -4.575 716 3HB ALA 94 3HB ALA 94 0.714 5.818 -4.348 717 H THR 95 H THR 95 -1.170 3.880 -1.334 718 HA THR 95 HA THR 95 -0.144 1.133 -1.044 719 HB THR 95 HB THR 95 -2.364 2.448 0.541 720 HG1 THR 95 HG1 THR 95 0.382 2.572 0.771 721 1HG2 THR 95 1HG2 THR 95 -2.474 0.001 0.475 722 2HG2 THR 95 2HG2 THR 95 -2.011 0.565 2.082 723 3HG2 THR 95 3HG2 THR 95 -0.790 -0.095 0.992 724 H LEU 96 H LEU 96 -0.966 -0.202 -2.527 725 HA LEU 96 HA LEU 96 -3.535 0.420 -3.772 726 1HB LEU 96 1HB LEU 96 -1.434 -1.646 -4.444 727 2HB LEU 96 2HB LEU 96 -2.938 -1.450 -5.318 728 HG LEU 96 HG LEU 96 -2.171 0.933 -5.803 729 1HD1 LEU 96 1HD1 LEU 96 0.479 -0.212 -4.954 730 2HD1 LEU 96 2HD1 LEU 96 -0.410 1.069 -4.131 731 3HD1 LEU 96 3HD1 LEU 96 0.222 1.338 -5.755 732 1HD2 LEU 96 1HD2 LEU 96 -0.770 0.192 -7.683 733 2HD2 LEU 96 2HD2 LEU 96 -2.218 -0.796 -7.490 734 3HD2 LEU 96 3HD2 LEU 96 -0.655 -1.407 -6.946 735 H VAL 97 H VAL 97 -5.337 -0.819 -3.568 736 HA VAL 97 HA VAL 97 -5.103 -3.189 -1.841 737 HB VAL 97 HB VAL 97 -6.148 -1.392 -0.579 738 1HG1 VAL 97 1HG1 VAL 97 -8.256 -1.320 -2.733 739 2HG1 VAL 97 2HG1 VAL 97 -7.024 -0.091 -2.465 740 3HG1 VAL 97 3HG1 VAL 97 -8.255 -0.384 -1.238 741 1HG2 VAL 97 1HG2 VAL 97 -8.120 -3.516 -1.415 742 2HG2 VAL 97 2HG2 VAL 97 -8.254 -2.515 0.030 743 3HG2 VAL 97 3HG2 VAL 97 -6.913 -3.648 -0.136 744 H PHE 98 H PHE 98 -5.890 -5.009 -2.620 745 HA PHE 98 HA PHE 98 -7.728 -4.892 -4.925 746 1HB PHE 98 1HB PHE 98 -5.951 -7.223 -4.205 747 2HB PHE 98 2HB PHE 98 -6.814 -6.957 -5.711 748 HD1 PHE 98 HD1 PHE 98 -6.017 -5.275 -7.320 749 HD2 PHE 98 HD2 PHE 98 -3.807 -6.246 -3.817 750 HE1 PHE 98 HE1 PHE 98 -4.022 -4.222 -8.296 751 HE2 PHE 98 HE2 PHE 98 -1.804 -5.196 -4.786 752 HZ PHE 98 HZ PHE 98 -1.909 -4.180 -7.030 753 H THR 99 H THR 99 -9.732 -5.599 -4.470 754 HA THR 99 HA THR 99 -10.177 -7.592 -2.432 755 HB THR 99 HB THR 99 -11.906 -5.874 -1.365 756 HG1 THR 99 HG1 THR 99 -10.012 -3.955 -1.467 757 1HG2 THR 99 1HG2 THR 99 -10.273 -5.375 0.390 758 2HG2 THR 99 2HG2 THR 99 -8.964 -5.888 -0.675 759 3HG2 THR 99 3HG2 THR 99 -10.158 -7.060 -0.118 760 H GLY 100 H GLY 100 -11.785 -8.828 -2.984 761 1HA GLY 100 1HA GLY 100 -13.852 -9.495 -3.774 762 2HA GLY 100 2HA GLY 100 -14.243 -7.805 -4.062 763 H GLY 101 H GLY 101 -12.822 -6.837 -5.868 764 1HA GLY 101 1HA GLY 101 -12.519 -8.764 -8.065 765 2HA GLY 101 2HA GLY 101 -13.485 -7.312 -8.293 766 H ASN 102 H ASN 102 -10.274 -8.181 -7.005 767 HA ASN 102 HA ASN 102 -8.205 -7.481 -7.524 768 1HB ASN 102 1HB ASN 102 -9.377 -7.833 -9.875 769 2HB ASN 102 2HB ASN 102 -9.126 -6.094 -9.975 770 1HD2 ASN 102 1HD2 ASN 102 -7.536 -9.120 -9.300 771 2HD2 ASN 102 2HD2 ASN 102 -5.979 -8.673 -9.952 772 H TYR 103 H TYR 103 -7.530 -5.122 -9.048 773 HA TYR 103 HA TYR 103 -7.092 -3.278 -7.069 774 1HB TYR 103 1HB TYR 103 -5.921 -3.333 -9.220 775 2HB TYR 103 2HB TYR 103 -7.380 -2.793 -10.039 776 HD1 TYR 103 HD1 TYR 103 -7.810 -0.511 -10.308 777 HD2 TYR 103 HD2 TYR 103 -4.851 -1.758 -7.517 778 HE1 TYR 103 HE1 TYR 103 -7.089 1.825 -10.040 779 HE2 TYR 103 HE2 TYR 103 -4.124 0.575 -7.235 780 HH TYR 103 HH TYR 103 -5.928 3.236 -8.464 781 H ARG 104 H ARG 104 -8.609 -2.411 -5.826 782 HA ARG 104 HA ARG 104 -11.104 -1.416 -6.936 783 1HB ARG 104 1HB ARG 104 -9.947 -1.549 -4.161 784 2HB ARG 104 2HB ARG 104 -11.413 -0.647 -4.504 785 1HG ARG 104 1HG ARG 104 -11.082 -3.570 -5.121 786 2HG ARG 104 2HG ARG 104 -11.750 -2.957 -3.607 787 1HD ARG 104 1HD ARG 104 -13.364 -1.635 -5.151 788 2HD ARG 104 2HD ARG 104 -12.881 -2.807 -6.376 789 HE ARG 104 HE ARG 104 -13.584 -4.472 -4.491 790 1HH1 ARG 104 1HH1 ARG 104 -15.178 -1.504 -5.455 791 2HH1 ARG 104 2HH1 ARG 104 -16.740 -1.994 -4.863 792 1HH2 ARG 104 1HH2 ARG 104 -15.652 -5.107 -3.703 793 2HH2 ARG 104 2HH2 ARG 104 -16.994 -4.021 -3.854 794 H GLY 105 H GLY 105 -8.099 -0.234 -5.582 795 1HA GLY 105 1HA GLY 105 -7.961 2.131 -6.997 796 2HA GLY 105 2HA GLY 105 -8.828 2.510 -5.513 797 H VAL 106 H VAL 106 -6.880 3.917 -5.239 798 HA VAL 106 HA VAL 106 -4.791 2.399 -3.863 799 HB VAL 106 HB VAL 106 -3.975 2.881 -6.137 800 1HG1 VAL 106 1HG1 VAL 106 -4.344 5.773 -5.370 801 2HG1 VAL 106 2HG1 VAL 106 -5.226 4.897 -6.624 802 3HG1 VAL 106 3HG1 VAL 106 -3.497 5.200 -6.805 803 1HG2 VAL 106 1HG2 VAL 106 -2.577 4.494 -4.015 804 2HG2 VAL 106 2HG2 VAL 106 -1.861 3.911 -5.517 805 3HG2 VAL 106 3HG2 VAL 106 -2.390 2.761 -4.287 806 H LEU 107 H LEU 107 -3.990 3.348 -2.058 807 HA LEU 107 HA LEU 107 -5.227 5.858 -1.199 808 1HB LEU 107 1HB LEU 107 -3.593 3.818 0.318 809 2HB LEU 107 2HB LEU 107 -4.288 5.265 1.022 810 HG LEU 107 HG LEU 107 -5.897 3.040 -0.228 811 1HD1 LEU 107 1HD1 LEU 107 -6.466 2.412 2.060 812 2HD1 LEU 107 2HD1 LEU 107 -5.368 3.647 2.679 813 3HD1 LEU 107 3HD1 LEU 107 -4.732 2.274 1.774 814 1HD2 LEU 107 1HD2 LEU 107 -7.017 5.199 -0.289 815 2HD2 LEU 107 2HD2 LEU 107 -6.714 5.424 1.433 816 3HD2 LEU 107 3HD2 LEU 107 -7.786 4.134 0.887 817 H ASN 108 H ASN 108 -4.112 7.587 -1.905 818 HA ASN 108 HA ASN 108 -1.357 7.850 -1.020 819 1HB ASN 108 1HB ASN 108 -0.482 8.562 -3.143 820 2HB ASN 108 2HB ASN 108 -1.226 6.985 -3.367 821 1HD2 ASN 108 1HD2 ASN 108 -0.619 9.144 -5.255 822 2HD2 ASN 108 2HD2 ASN 108 -2.115 9.519 -6.041 823 H GLY 109 H GLY 109 -0.580 10.166 -1.488 824 1HA GLY 109 1HA GLY 109 -1.008 12.466 -1.639 825 2HA GLY 109 2HA GLY 109 -2.732 12.127 -1.663 826 H ILE 110 H ILE 110 -1.207 14.059 -0.054 827 HA ILE 110 HA ILE 110 -1.114 13.100 2.632 828 HB ILE 110 HB ILE 110 -1.227 15.954 1.644 829 1HG1 ILE 110 1HG1 ILE 110 0.701 14.744 0.732 830 2HG1 ILE 110 2HG1 ILE 110 1.216 15.938 1.920 831 1HG2 ILE 110 1HG2 ILE 110 -0.251 16.525 3.816 832 2HG2 ILE 110 2HG2 ILE 110 -0.377 14.840 4.311 833 3HG2 ILE 110 3HG2 ILE 110 -1.838 15.774 3.989 834 1HD1 ILE 110 1HD1 ILE 110 0.948 12.974 2.388 835 2HD1 ILE 110 2HD1 ILE 110 1.464 14.164 3.584 836 3HD1 ILE 110 3HD1 ILE 110 2.454 13.862 2.156 837 H HIS 111 H HIS 111 -2.940 12.375 3.499 838 HA HIS 111 HA HIS 111 -5.285 14.133 3.483 839 1HB HIS 111 1HB HIS 111 -5.287 11.164 2.904 840 2HB HIS 111 2HB HIS 111 -6.737 12.106 3.227 841 HD1 HIS 111 HD1 HIS 111 -4.648 10.971 0.506 842 HD2 HIS 111 HD2 HIS 111 -7.082 14.264 1.213 843 HE1 HIS 111 HE1 HIS 111 -5.155 11.934 -1.755 844 HE2 HIS 111 HE2 HIS 111 -6.447 14.041 -1.286 845 HA PRO 112 HA PRO 112 -5.181 13.299 7.834 846 1HB PRO 112 1HB PRO 112 -7.693 14.107 8.465 847 2HB PRO 112 2HB PRO 112 -6.392 15.241 8.083 848 1HG PRO 112 1HG PRO 112 -8.600 14.227 6.333 849 2HG PRO 112 2HG PRO 112 -7.981 15.881 6.507 850 1HD PRO 112 1HD PRO 112 -7.272 14.284 4.444 851 2HD PRO 112 2HD PRO 112 -6.163 15.481 5.142 852 H TRP 113 H TRP 113 -6.697 12.241 9.514 853 HA TRP 113 HA TRP 113 -6.947 9.544 8.848 854 1HB TRP 113 1HB TRP 113 -6.577 10.320 11.132 855 2HB TRP 113 2HB TRP 113 -8.164 11.074 11.152 856 HD1 TRP 113 HD1 TRP 113 -9.441 9.697 12.909 857 HE1 TRP 113 HE1 TRP 113 -10.008 7.203 13.225 858 HE3 TRP 113 HE3 TRP 113 -6.558 7.739 9.166 859 HZ2 TRP 113 HZ2 TRP 113 -9.321 4.743 12.032 860 HZ3 TRP 113 HZ3 TRP 113 -6.574 5.308 8.820 861 HH2 TRP 113 HH2 TRP 113 -7.932 3.841 10.218 862 H ALA 114 H ALA 114 -9.459 12.038 9.199 863 HA ALA 114 HA ALA 114 -11.689 10.409 8.780 864 1HB ALA 114 1HB ALA 114 -12.883 12.441 8.206 865 2HB ALA 114 2HB ALA 114 -11.356 13.291 7.968 866 3HB ALA 114 3HB ALA 114 -11.808 12.726 9.575 867 H GLU 115 H GLU 115 -9.625 12.080 6.426 868 HA GLU 115 HA GLU 115 -11.212 11.328 4.171 869 1HB GLU 115 1HB GLU 115 -9.679 13.303 4.212 870 2HB GLU 115 2HB GLU 115 -8.314 12.194 4.218 871 1HG GLU 115 1HG GLU 115 -8.575 12.911 1.991 872 2HG GLU 115 2HG GLU 115 -9.199 11.264 2.051 873 H LEU 116 H LEU 116 -8.473 9.970 5.871 874 HA LEU 116 HA LEU 116 -7.731 8.017 3.986 875 1HB LEU 116 1HB LEU 116 -6.843 8.825 6.464 876 2HB LEU 116 2HB LEU 116 -7.465 7.222 6.795 877 HG LEU 116 HG LEU 116 -5.078 7.150 6.327 878 1HD1 LEU 116 1HD1 LEU 116 -6.400 5.215 5.681 879 2HD1 LEU 116 2HD1 LEU 116 -5.080 5.470 4.537 880 3HD1 LEU 116 3HD1 LEU 116 -6.724 5.941 4.106 881 1HD2 LEU 116 1HD2 LEU 116 -5.815 8.304 3.641 882 2HD2 LEU 116 2HD2 LEU 116 -4.220 7.712 4.105 883 3HD2 LEU 116 3HD2 LEU 116 -4.908 9.120 4.915 884 H ILE 117 H ILE 117 -9.972 7.898 6.738 885 HA ILE 117 HA ILE 117 -10.857 5.246 6.365 886 HB ILE 117 HB ILE 117 -12.501 7.552 7.435 887 1HG1 ILE 117 1HG1 ILE 117 -10.727 5.643 8.973 888 2HG1 ILE 117 2HG1 ILE 117 -10.303 7.308 8.582 889 1HG2 ILE 117 1HG2 ILE 117 -13.666 5.786 8.699 890 2HG2 ILE 117 2HG2 ILE 117 -12.709 4.573 7.851 891 3HG2 ILE 117 3HG2 ILE 117 -13.833 5.593 6.953 892 1HD1 ILE 117 1HD1 ILE 117 -12.653 6.451 10.253 893 2HD1 ILE 117 2HD1 ILE 117 -12.173 8.110 9.898 894 3HD1 ILE 117 3HD1 ILE 117 -11.123 7.079 10.867 895 H ASN 118 H ASN 118 -12.020 8.332 5.131 896 HA ASN 118 HA ASN 118 -14.330 7.567 3.804 897 1HB ASN 118 1HB ASN 118 -13.524 9.901 4.135 898 2HB ASN 118 2HB ASN 118 -12.316 9.630 2.896 899 1HD2 ASN 118 1HD2 ASN 118 -13.102 11.266 1.624 900 2HD2 ASN 118 2HD2 ASN 118 -14.588 11.116 0.736 901 H LEU 119 H LEU 119 -11.117 8.004 2.395 902 HA LEU 119 HA LEU 119 -11.666 6.978 -0.131 903 1HB LEU 119 1HB LEU 119 -9.059 6.894 1.391 904 2HB LEU 119 2HB LEU 119 -9.233 6.650 -0.333 905 HG LEU 119 HG LEU 119 -9.880 9.206 1.129 906 1HD1 LEU 119 1HD1 LEU 119 -7.895 10.093 -0.005 907 2HD1 LEU 119 2HD1 LEU 119 -7.548 8.485 -0.642 908 3HD1 LEU 119 3HD1 LEU 119 -7.489 8.777 1.096 909 1HD2 LEU 119 1HD2 LEU 119 -11.264 8.853 -0.866 910 2HD2 LEU 119 2HD2 LEU 119 -9.804 8.612 -1.826 911 3HD2 LEU 119 3HD2 LEU 119 -10.122 10.178 -1.085 912 H MET 120 H MET 120 -10.375 5.276 2.728 913 HA MET 120 HA MET 120 -10.000 2.781 1.503 914 1HB MET 120 1HB MET 120 -9.153 3.466 3.766 915 2HB MET 120 2HB MET 120 -10.782 3.236 4.385 916 1HG MET 120 1HG MET 120 -9.395 1.307 4.855 917 2HG MET 120 2HG MET 120 -10.701 0.884 3.749 918 1HE MET 120 1HE MET 120 -9.330 -1.388 3.228 919 2HE MET 120 2HE MET 120 -8.033 -0.858 4.295 920 3HE MET 120 3HE MET 120 -7.659 -1.402 2.661 921 H ARG 121 H ARG 121 -12.821 4.169 3.111 922 HA ARG 121 HA ARG 121 -14.483 1.891 2.992 923 1HB ARG 121 1HB ARG 121 -14.936 3.889 4.391 924 2HB ARG 121 2HB ARG 121 -15.262 4.813 2.933 925 1HG ARG 121 1HG ARG 121 -17.087 3.102 2.449 926 2HG ARG 121 2HG ARG 121 -16.871 2.579 4.122 927 1HD ARG 121 1HD ARG 121 -18.663 4.178 4.025 928 2HD ARG 121 2HD ARG 121 -17.287 4.910 4.853 929 HE ARG 121 HE ARG 121 -17.003 5.618 2.212 930 1HH1 ARG 121 1HH1 ARG 121 -19.410 6.085 4.706 931 2HH1 ARG 121 2HH1 ARG 121 -20.054 7.528 3.991 932 1HH2 ARG 121 1HH2 ARG 121 -17.819 7.508 1.281 933 2HH2 ARG 121 2HH2 ARG 121 -19.145 8.351 2.037 934 H GLY 122 H GLY 122 -13.941 4.559 0.748 935 1HA GLY 122 1HA GLY 122 -15.924 3.834 -1.141 936 2HA GLY 122 2HA GLY 122 -14.513 4.831 -1.459 937 H LEU 123 H LEU 123 -12.660 2.748 -0.581 938 HA LEU 123 HA LEU 123 -12.463 1.378 -3.098 939 1HB LEU 123 1HB LEU 123 -10.718 1.177 -0.650 940 2HB LEU 123 2HB LEU 123 -10.338 0.537 -2.238 941 HG LEU 123 HG LEU 123 -10.601 3.446 -1.487 942 1HD1 LEU 123 1HD1 LEU 123 -8.220 1.832 -2.382 943 2HD1 LEU 123 2HD1 LEU 123 -8.529 2.404 -0.742 944 3HD1 LEU 123 3HD1 LEU 123 -8.236 3.561 -2.041 945 1HD2 LEU 123 1HD2 LEU 123 -11.482 3.104 -3.717 946 2HD2 LEU 123 2HD2 LEU 123 -10.044 2.190 -4.170 947 3HD2 LEU 123 3HD2 LEU 123 -9.917 3.910 -3.802 948 H VAL 124 H VAL 124 -12.790 0.328 0.312 949 HA VAL 124 HA VAL 124 -12.874 -2.431 -0.399 950 HB VAL 124 HB VAL 124 -13.524 -2.876 1.921 951 1HG1 VAL 124 1HG1 VAL 124 -11.319 -0.841 1.648 952 2HG1 VAL 124 2HG1 VAL 124 -11.176 -2.578 1.399 953 3HG1 VAL 124 3HG1 VAL 124 -11.530 -1.944 3.007 954 1HG2 VAL 124 1HG2 VAL 124 -15.007 -0.971 2.298 955 2HG2 VAL 124 2HG2 VAL 124 -13.626 0.125 2.234 956 3HG2 VAL 124 3HG2 VAL 124 -13.757 -1.055 3.538 957 H GLU 125 H GLU 125 -15.324 0.008 0.165 958 HA GLU 125 HA GLU 125 -17.580 0.020 0.066 959 1HB GLU 125 1HB GLU 125 -17.083 0.078 -2.224 960 2HB GLU 125 2HB GLU 125 -16.692 -1.626 -2.260 961 1HG GLU 125 1HG GLU 125 -19.043 -2.191 -1.979 962 2HG GLU 125 2HG GLU 125 -19.449 -0.479 -1.861 963 HA PRO 126 HA PRO 126 -18.435 -3.870 2.274 964 1HB PRO 126 1HB PRO 126 -19.559 -2.786 4.443 965 2HB PRO 126 2HB PRO 126 -17.808 -2.752 4.206 966 1HG PRO 126 1HG PRO 126 -19.817 -0.580 3.790 967 2HG PRO 126 2HG PRO 126 -18.181 -0.479 4.458 968 1HD PRO 126 1HD PRO 126 -18.886 0.145 1.849 969 2HD PRO 126 2HD PRO 126 -17.244 -0.232 2.400 970 H GLN 127 H GLN 127 -20.474 -4.818 3.100 971 HA GLN 127 HA GLN 127 -22.787 -3.854 1.582 972 1HB GLN 127 1HB GLN 127 -21.967 -6.295 1.560 973 2HB GLN 127 2HB GLN 127 -22.635 -6.399 3.183 974 1HG GLN 127 1HG GLN 127 -24.837 -5.710 2.258 975 2HG GLN 127 2HG GLN 127 -24.133 -5.805 0.645 976 1HE2 GLN 127 1HE2 GLN 127 -23.426 -7.957 3.325 977 2HE2 GLN 127 2HE2 GLN 127 -24.130 -9.373 2.612 978 H GLN 128 H GLN 128 -21.413 -3.527 4.490 979 HA GLN 128 HA GLN 128 -21.959 -2.524 6.410 980 1HB GLN 128 1HB GLN 128 -23.286 -1.049 4.855 981 2HB GLN 128 2HB GLN 128 -24.692 -2.034 5.246 982 1HG GLN 128 1HG GLN 128 -24.198 -1.486 7.665 983 2HG GLN 128 2HG GLN 128 -23.103 -0.254 7.048 984 1HE2 GLN 128 1HE2 GLN 128 -23.931 1.532 5.979 985 2HE2 GLN 128 2HE2 GLN 128 -25.602 1.969 6.073 986 H GLU 129 H GLU 129 -21.806 -4.834 7.109 987 HA GLU 129 HA GLU 129 -24.305 -5.951 8.060 988 1HB GLU 129 1HB GLU 129 -21.432 -6.812 8.254 989 2HB GLU 129 2HB GLU 129 -22.654 -7.550 9.276 990 1HG GLU 129 1HG GLU 129 -22.354 -8.968 7.420 991 2HG GLU 129 2HG GLU 129 -23.899 -8.154 7.188 992 H ARG 130 H ARG 130 -25.068 -4.348 9.436 993 HA ARG 130 HA ARG 130 -23.435 -3.777 11.808 994 1HB ARG 130 1HB ARG 130 -25.800 -2.364 10.594 995 2HB ARG 130 2HB ARG 130 -25.263 -2.029 12.234 996 1HG ARG 130 1HG ARG 130 -23.030 -1.441 11.331 997 2HG ARG 130 2HG ARG 130 -23.679 -1.656 9.702 998 1HD ARG 130 1HD ARG 130 -24.764 0.264 11.757 999 2HD ARG 130 2HD ARG 130 -23.665 0.706 10.450 1000 HE ARG 130 HE ARG 130 -25.710 -0.451 9.134 1001 1HH1 ARG 130 1HH1 ARG 130 -25.613 2.059 11.588 1002 2HH1 ARG 130 2HH1 ARG 130 -27.011 2.878 10.963 1003 1HH2 ARG 130 1HH2 ARG 130 -27.518 0.647 8.311 1004 2HH2 ARG 130 2HH2 ARG 130 -28.090 2.088 9.099 1005 H ALA 131 H ALA 131 -25.506 -3.058 13.527 1006 HA ALA 131 HA ALA 131 -26.213 -5.674 14.498 1007 1HB ALA 131 1HB ALA 131 -26.989 -4.493 16.478 1008 2HB ALA 131 2HB ALA 131 -26.797 -2.949 15.646 1009 3HB ALA 131 3HB ALA 131 -25.382 -3.937 16.009 1010 H SER 132 H SER 132 -27.509 -5.219 12.117 1011 HA SER 132 HA SER 132 -30.203 -4.314 12.559 1012 1HB SER 132 1HB SER 132 -29.019 -5.880 10.251 1013 2HB SER 132 2HB SER 132 -30.576 -5.049 10.252 1014 HG SER 132 HG SER 132 -29.192 -3.624 9.326 Start of MODEL 6 1 1H MET 1 1H MET 1 22.792 11.971 -1.698 2 HA MET 1 HA MET 1 22.050 10.441 0.563 3 1HB MET 1 1HB MET 1 21.532 12.642 1.570 4 2HB MET 1 2HB MET 1 20.417 12.973 0.252 5 1HG MET 1 1HG MET 1 19.085 11.007 0.948 6 2HG MET 1 2HG MET 1 20.162 10.809 2.329 7 1HE MET 1 1HE MET 1 16.984 11.093 2.610 8 2HE MET 1 2HE MET 1 16.893 12.185 3.993 9 3HE MET 1 3HE MET 1 18.086 10.884 3.974 10 H SER 2 H SER 2 21.646 8.870 -0.915 11 HA SER 2 HA SER 2 19.128 9.134 -2.370 12 1HB SER 2 1HB SER 2 20.256 7.977 -4.357 13 2HB SER 2 2HB SER 2 20.640 9.682 -4.117 14 HG SER 2 HG SER 2 22.603 8.864 -4.300 15 H ASN 3 H ASN 3 21.843 6.931 -1.702 16 HA ASN 3 HA ASN 3 19.869 4.794 -1.230 17 1HB ASN 3 1HB ASN 3 21.474 4.378 -3.085 18 2HB ASN 3 2HB ASN 3 22.801 4.511 -1.937 19 1HD2 ASN 3 1HD2 ASN 3 23.505 2.432 -2.318 20 2HD2 ASN 3 2HD2 ASN 3 22.647 1.035 -1.759 21 H ASP 4 H ASP 4 20.351 3.275 0.480 22 HA ASP 4 HA ASP 4 20.685 2.761 2.645 23 1HB ASP 4 1HB ASP 4 22.937 2.623 3.373 24 2HB ASP 4 2HB ASP 4 22.859 2.241 1.669 25 H THR 5 H THR 5 19.869 5.532 2.092 26 HA THR 5 HA THR 5 20.148 6.412 4.854 27 HB THR 5 HB THR 5 20.012 8.852 3.656 28 HG1 THR 5 HG1 THR 5 21.613 7.151 2.020 29 1HG2 THR 5 1HG2 THR 5 22.363 9.104 4.273 30 2HG2 THR 5 2HG2 THR 5 22.529 7.350 4.384 31 3HG2 THR 5 3HG2 THR 5 21.477 8.210 5.511 32 HA PRO 6 HA PRO 6 16.011 8.229 3.460 33 1HB PRO 6 1HB PRO 6 15.571 8.010 0.617 34 2HB PRO 6 2HB PRO 6 15.729 9.473 1.592 35 1HG PRO 6 1HG PRO 6 17.562 8.674 -0.287 36 2HG PRO 6 2HG PRO 6 17.942 9.708 1.101 37 1HD PRO 6 1HD PRO 6 18.398 6.772 0.746 38 2HD PRO 6 2HD PRO 6 19.442 7.995 1.502 39 H PHE 7 H PHE 7 16.569 5.907 0.831 40 HA PHE 7 HA PHE 7 14.155 4.516 1.090 41 1HB PHE 7 1HB PHE 7 15.524 4.360 -0.917 42 2HB PHE 7 2HB PHE 7 16.823 3.599 -0.008 43 HD1 PHE 7 HD1 PHE 7 13.196 3.078 -0.733 44 HD2 PHE 7 HD2 PHE 7 17.029 1.320 -0.150 45 HE1 PHE 7 HE1 PHE 7 12.257 0.865 -1.251 46 HE2 PHE 7 HE2 PHE 7 16.095 -0.896 -0.669 47 HZ PHE 7 HZ PHE 7 13.705 -1.126 -1.222 48 H ASP 8 H ASP 8 17.287 4.058 2.621 49 HA ASP 8 HA ASP 8 16.804 1.534 3.776 50 1HB ASP 8 1HB ASP 8 19.032 2.642 3.605 51 2HB ASP 8 2HB ASP 8 18.536 3.760 4.858 52 H ALA 9 H ALA 9 16.693 4.765 5.188 53 HA ALA 9 HA ALA 9 15.665 4.048 7.688 54 1HB ALA 9 1HB ALA 9 15.005 6.400 7.919 55 2HB ALA 9 2HB ALA 9 15.270 6.637 6.191 56 3HB ALA 9 3HB ALA 9 16.628 6.237 7.245 57 H LEU 10 H LEU 10 13.963 4.988 4.733 58 HA LEU 10 HA LEU 10 11.346 4.953 5.682 59 1HB LEU 10 1HB LEU 10 12.605 5.381 3.301 60 2HB LEU 10 2HB LEU 10 11.817 3.853 2.992 61 HG LEU 10 HG LEU 10 10.514 5.829 2.244 62 1HD1 LEU 10 1HD1 LEU 10 9.184 4.228 4.420 63 2HD1 LEU 10 2HD1 LEU 10 9.427 3.685 2.760 64 3HD1 LEU 10 3HD1 LEU 10 8.384 5.068 3.092 65 1HD2 LEU 10 1HD2 LEU 10 10.309 6.380 5.198 66 2HD2 LEU 10 2HD2 LEU 10 9.332 7.156 3.952 67 3HD2 LEU 10 3HD2 LEU 10 11.081 7.403 3.986 68 H TRP 11 H TRP 11 13.182 2.385 4.065 69 HA TRP 11 HA TRP 11 11.193 0.416 4.294 70 1HB TRP 11 1HB TRP 11 13.623 0.578 3.036 71 2HB TRP 11 2HB TRP 11 13.949 -0.598 4.308 72 HD1 TRP 11 HD1 TRP 11 10.411 -0.825 3.257 73 HE1 TRP 11 HE1 TRP 11 10.054 -2.821 1.679 74 HE3 TRP 11 HE3 TRP 11 15.300 -1.948 2.225 75 HZ2 TRP 11 HZ2 TRP 11 11.614 -4.624 0.197 76 HZ3 TRP 11 HZ3 TRP 11 15.772 -3.832 0.709 77 HH2 TRP 11 HH2 TRP 11 13.960 -5.138 -0.283 78 H GLN 12 H GLN 12 13.905 1.240 6.435 79 HA GLN 12 HA GLN 12 13.706 -0.897 8.210 80 1HB GLN 12 1HB GLN 12 14.587 1.953 8.566 81 2HB GLN 12 2HB GLN 12 14.618 0.809 9.889 82 1HG GLN 12 1HG GLN 12 16.029 0.340 7.284 83 2HG GLN 12 2HG GLN 12 16.781 1.147 8.655 84 1HE2 GLN 12 1HE2 GLN 12 14.552 -1.549 9.010 85 2HE2 GLN 12 2HE2 GLN 12 15.731 -2.697 9.544 86 H ARG 13 H ARG 13 11.922 2.154 8.114 87 HA ARG 13 HA ARG 13 10.491 1.780 10.524 88 1HB ARG 13 1HB ARG 13 9.785 3.343 8.036 89 2HB ARG 13 2HB ARG 13 8.902 3.442 9.552 90 1HG ARG 13 1HG ARG 13 10.819 4.357 10.669 91 2HG ARG 13 2HG ARG 13 11.818 4.113 9.237 92 1HD ARG 13 1HD ARG 13 10.311 5.667 8.009 93 2HD ARG 13 2HD ARG 13 9.475 5.984 9.528 94 HE ARG 13 HE ARG 13 12.036 6.523 10.160 95 1HH1 ARG 13 1HH1 ARG 13 9.969 7.606 7.539 96 2HH1 ARG 13 2HH1 ARG 13 10.809 9.107 7.341 97 1HH2 ARG 13 1HH2 ARG 13 13.126 8.496 9.899 98 2HH2 ARG 13 2HH2 ARG 13 12.607 9.615 8.673 99 H MET 14 H MET 14 9.577 1.213 7.159 100 HA MET 14 HA MET 14 7.051 0.121 7.594 101 1HB MET 14 1HB MET 14 9.003 -0.540 5.385 102 2HB MET 14 2HB MET 14 7.266 -0.789 5.335 103 1HG MET 14 1HG MET 14 6.860 1.566 5.360 104 2HG MET 14 2HG MET 14 8.565 1.901 5.649 105 1HE MET 14 1HE MET 14 6.827 0.300 1.691 106 2HE MET 14 2HE MET 14 5.854 0.787 3.079 107 3HE MET 14 3HE MET 14 6.853 -0.662 3.167 108 H LEU 15 H LEU 15 10.234 -1.390 7.589 109 HA LEU 15 HA LEU 15 9.324 -4.076 7.645 110 1HB LEU 15 1HB LEU 15 11.872 -2.666 7.895 111 2HB LEU 15 2HB LEU 15 11.788 -4.126 8.860 112 HG LEU 15 HG LEU 15 12.788 -4.519 6.647 113 1HD1 LEU 15 1HD1 LEU 15 11.410 -6.450 6.028 114 2HD1 LEU 15 2HD1 LEU 15 10.120 -5.851 7.070 115 3HD1 LEU 15 3HD1 LEU 15 11.664 -6.343 7.769 116 1HD2 LEU 15 1HD2 LEU 15 11.426 -4.433 4.636 117 2HD2 LEU 15 2HD2 LEU 15 11.547 -2.837 5.379 118 3HD2 LEU 15 3HD2 LEU 15 10.072 -3.787 5.566 119 H ALA 16 H ALA 16 10.000 -1.703 10.137 120 HA ALA 16 HA ALA 16 10.017 -3.480 12.340 121 1HB ALA 16 1HB ALA 16 10.965 -1.234 12.457 122 2HB ALA 16 2HB ALA 16 9.747 -1.476 13.710 123 3HB ALA 16 3HB ALA 16 9.355 -0.539 12.267 124 H ARG 17 H ARG 17 7.480 -2.143 10.428 125 HA ARG 17 HA ARG 17 5.405 -2.625 12.371 126 1HB ARG 17 1HB ARG 17 5.266 -1.926 9.435 127 2HB ARG 17 2HB ARG 17 3.888 -1.977 10.531 128 1HG ARG 17 1HG ARG 17 6.270 -0.150 10.752 129 2HG ARG 17 2HG ARG 17 4.645 0.303 10.232 130 1HD ARG 17 1HD ARG 17 3.753 -0.244 12.393 131 2HD ARG 17 2HD ARG 17 5.305 -0.879 12.924 132 HE ARG 17 HE ARG 17 5.802 1.730 12.239 133 1HH1 ARG 17 1HH1 ARG 17 3.616 0.094 14.432 134 2HH1 ARG 17 2HH1 ARG 17 3.613 1.394 15.592 135 1HH2 ARG 17 1HH2 ARG 17 5.840 3.402 13.771 136 2HH2 ARG 17 2HH2 ARG 17 4.891 3.275 15.223 137 H GLY 18 H GLY 18 7.244 -4.674 10.657 138 1HA GLY 18 1HA GLY 18 7.001 -6.979 10.530 139 2HA GLY 18 2HA GLY 18 5.313 -6.801 10.983 140 H TRP 19 H TRP 19 6.211 -4.759 8.448 141 HA TRP 19 HA TRP 19 4.579 -6.222 6.597 142 1HB TRP 19 1HB TRP 19 6.208 -3.696 6.216 143 2HB TRP 19 2HB TRP 19 5.049 -4.345 5.058 144 HD1 TRP 19 HD1 TRP 19 3.145 -5.065 7.863 145 HE1 TRP 19 HE1 TRP 19 1.622 -3.140 8.638 146 HE3 TRP 19 HE3 TRP 19 5.424 -1.195 5.411 147 HZ2 TRP 19 HZ2 TRP 19 1.411 -0.349 8.250 148 HZ3 TRP 19 HZ3 TRP 19 4.495 1.069 5.665 149 HH2 TRP 19 HH2 TRP 19 2.531 1.480 7.054 150 H THR 20 H THR 20 5.245 -7.623 5.135 151 HA THR 20 HA THR 20 8.019 -8.436 5.291 152 HB THR 20 HB THR 20 5.755 -9.758 3.791 153 HG1 THR 20 HG1 THR 20 6.015 -9.401 6.386 154 1HG2 THR 20 1HG2 THR 20 8.380 -10.841 4.830 155 2HG2 THR 20 2HG2 THR 20 7.998 -10.524 3.137 156 3HG2 THR 20 3HG2 THR 20 7.128 -11.780 4.017 157 HA PRO 21 HA PRO 21 9.028 -6.545 1.332 158 1HB PRO 21 1HB PRO 21 11.604 -7.418 1.292 159 2HB PRO 21 2HB PRO 21 11.080 -6.011 2.224 160 1HG PRO 21 1HG PRO 21 11.604 -8.804 3.142 161 2HG PRO 21 2HG PRO 21 11.997 -7.270 3.938 162 1HD PRO 21 1HD PRO 21 9.867 -8.811 4.637 163 2HD PRO 21 2HD PRO 21 9.894 -7.047 4.825 164 H VAL 22 H VAL 22 8.340 -7.492 -0.465 165 HA VAL 22 HA VAL 22 9.072 -10.304 -0.951 166 HB VAL 22 HB VAL 22 6.721 -10.096 -0.227 167 1HG1 VAL 22 1HG1 VAL 22 6.357 -8.469 -2.737 168 2HG1 VAL 22 2HG1 VAL 22 6.241 -7.875 -1.080 169 3HG1 VAL 22 3HG1 VAL 22 5.068 -9.044 -1.679 170 1HG2 VAL 22 1HG2 VAL 22 7.068 -10.939 -3.098 171 2HG2 VAL 22 2HG2 VAL 22 5.732 -11.398 -2.043 172 3HG2 VAL 22 3HG2 VAL 22 7.370 -11.929 -1.672 173 H SER 23 H SER 23 9.496 -10.893 -3.074 174 HA SER 23 HA SER 23 10.024 -8.691 -4.916 175 1HB SER 23 1HB SER 23 10.750 -11.617 -5.181 176 2HB SER 23 2HB SER 23 11.401 -10.273 -6.122 177 HG SER 23 HG SER 23 12.564 -9.607 -4.418 178 H GLU 24 H GLU 24 9.536 -9.129 -7.281 179 HA GLU 24 HA GLU 24 6.823 -9.210 -7.719 180 1HB GLU 24 1HB GLU 24 9.183 -9.024 -9.286 181 2HB GLU 24 2HB GLU 24 8.128 -10.191 -10.063 182 1HG GLU 24 1HG GLU 24 7.242 -7.443 -9.243 183 2HG GLU 24 2HG GLU 24 7.882 -7.829 -10.837 184 H SER 25 H SER 25 9.121 -11.880 -8.179 185 HA SER 25 HA SER 25 7.334 -13.721 -9.269 186 1HB SER 25 1HB SER 25 9.781 -14.287 -7.584 187 2HB SER 25 2HB SER 25 9.009 -15.406 -8.709 188 HG SER 25 HG SER 25 9.413 -13.532 -10.273 189 H ARG 26 H ARG 26 8.000 -12.934 -5.899 190 HA ARG 26 HA ARG 26 6.349 -15.186 -5.048 191 1HB ARG 26 1HB ARG 26 8.570 -14.634 -3.936 192 2HB ARG 26 2HB ARG 26 7.762 -13.237 -3.235 193 1HG ARG 26 1HG ARG 26 7.774 -15.059 -1.651 194 2HG ARG 26 2HG ARG 26 6.121 -14.739 -2.180 195 1HD ARG 26 1HD ARG 26 6.378 -16.586 -3.841 196 2HD ARG 26 2HD ARG 26 7.939 -16.954 -3.111 197 HE ARG 26 HE ARG 26 5.306 -17.271 -1.821 198 1HH1 ARG 26 1HH1 ARG 26 8.760 -17.888 -1.891 199 2HH1 ARG 26 2HH1 ARG 26 8.686 -19.162 -0.708 200 1HH2 ARG 26 1HH2 ARG 26 5.208 -18.912 -0.243 201 2HH2 ARG 26 2HH2 ARG 26 6.660 -19.755 0.222 202 H LEU 27 H LEU 27 6.158 -11.811 -5.553 203 HA LEU 27 HA LEU 27 4.056 -11.166 -3.782 204 1HB LEU 27 1HB LEU 27 5.475 -9.530 -5.046 205 2HB LEU 27 2HB LEU 27 4.632 -9.986 -6.511 206 HG LEU 27 HG LEU 27 3.948 -7.807 -5.361 207 1HD1 LEU 27 1HD1 LEU 27 1.588 -8.100 -5.908 208 2HD1 LEU 27 2HD1 LEU 27 1.815 -9.848 -5.968 209 3HD1 LEU 27 3HD1 LEU 27 2.626 -8.813 -7.142 210 1HD2 LEU 27 1HD2 LEU 27 3.880 -8.657 -3.079 211 2HD2 LEU 27 2HD2 LEU 27 2.559 -9.738 -3.516 212 3HD2 LEU 27 3HD2 LEU 27 2.321 -7.992 -3.565 213 H ASP 28 H ASP 28 4.163 -12.449 -7.042 214 HA ASP 28 HA ASP 28 1.418 -12.535 -7.604 215 1HB ASP 28 1HB ASP 28 3.329 -12.947 -9.203 216 2HB ASP 28 2HB ASP 28 3.521 -14.536 -8.474 217 H ASP 29 H ASP 29 3.561 -14.849 -6.027 218 HA ASP 29 HA ASP 29 1.720 -16.932 -5.558 219 1HB ASP 29 1HB ASP 29 4.130 -17.207 -5.276 220 2HB ASP 29 2HB ASP 29 4.143 -16.040 -3.977 221 H TRP 30 H TRP 30 2.934 -14.447 -3.393 222 HA TRP 30 HA TRP 30 1.298 -15.044 -1.213 223 1HB TRP 30 1HB TRP 30 3.376 -13.551 -1.293 224 2HB TRP 30 2HB TRP 30 2.293 -12.265 -1.815 225 HD1 TRP 30 HD1 TRP 30 0.336 -14.194 0.550 226 HE1 TRP 30 HE1 TRP 30 0.400 -13.167 2.907 227 HE3 TRP 30 HE3 TRP 30 4.307 -11.034 -0.059 228 HZ2 TRP 30 HZ2 TRP 30 1.939 -11.278 4.321 229 HZ3 TRP 30 HZ3 TRP 30 5.012 -9.652 1.852 230 HH2 TRP 30 HH2 TRP 30 3.849 -9.774 3.993 231 H LEU 31 H LEU 31 0.737 -12.802 -3.907 232 HA LEU 31 HA LEU 31 -1.701 -11.753 -2.913 233 1HB LEU 31 1HB LEU 31 -0.067 -11.384 -5.170 234 2HB LEU 31 2HB LEU 31 -1.638 -11.841 -5.796 235 HG LEU 31 HG LEU 31 -1.465 -9.427 -5.679 236 1HD1 LEU 31 1HD1 LEU 31 -3.654 -10.379 -5.248 237 2HD1 LEU 31 2HD1 LEU 31 -3.414 -8.917 -4.289 238 3HD1 LEU 31 3HD1 LEU 31 -3.280 -10.504 -3.528 239 1HD2 LEU 31 1HD2 LEU 31 -0.932 -9.814 -2.737 240 2HD2 LEU 31 2HD2 LEU 31 -1.172 -8.265 -3.547 241 3HD2 LEU 31 3HD2 LEU 31 0.230 -9.260 -3.942 242 H THR 32 H THR 32 -0.871 -14.645 -4.643 243 HA THR 32 HA THR 32 -3.542 -15.426 -5.290 244 HB THR 32 HB THR 32 -0.945 -16.952 -5.154 245 HG1 THR 32 HG1 THR 32 -0.987 -15.516 -6.866 246 1HG2 THR 32 1HG2 THR 32 -2.041 -18.772 -6.323 247 2HG2 THR 32 2HG2 THR 32 -3.579 -17.910 -6.267 248 3HG2 THR 32 3HG2 THR 32 -2.836 -18.484 -4.774 249 H GLN 33 H GLN 33 -1.390 -15.845 -2.565 250 HA GLN 33 HA GLN 33 -2.950 -17.921 -1.332 251 1HB GLN 33 1HB GLN 33 -0.675 -16.259 -0.239 252 2HB GLN 33 2HB GLN 33 -1.344 -17.698 0.512 253 1HG GLN 33 1HG GLN 33 -0.094 -17.684 -2.219 254 2HG GLN 33 2HG GLN 33 0.795 -18.033 -0.738 255 1HE2 GLN 33 1HE2 GLN 33 1.283 -20.098 -1.560 256 2HE2 GLN 33 2HE2 GLN 33 0.110 -21.370 -1.553 257 H ALA 34 H ALA 34 -2.333 -14.479 -0.688 258 HA ALA 34 HA ALA 34 -3.971 -14.426 1.654 259 1HB ALA 34 1HB ALA 34 -2.068 -12.897 1.297 260 2HB ALA 34 2HB ALA 34 -3.569 -12.046 1.660 261 3HB ALA 34 3HB ALA 34 -2.972 -12.109 0.001 262 HA PRO 35 HA PRO 35 -7.849 -13.689 -0.432 263 1HB PRO 35 1HB PRO 35 -9.103 -13.238 2.105 264 2HB PRO 35 2HB PRO 35 -9.156 -14.699 1.117 265 1HG PRO 35 1HG PRO 35 -7.907 -14.489 3.580 266 2HG PRO 35 2HG PRO 35 -7.558 -15.730 2.367 267 1HD PRO 35 1HD PRO 35 -6.066 -13.227 3.009 268 2HD PRO 35 2HD PRO 35 -5.449 -14.820 2.518 269 H ASP 36 H ASP 36 -6.322 -11.599 1.869 270 HA ASP 36 HA ASP 36 -8.020 -9.343 1.134 271 1HB ASP 36 1HB ASP 36 -6.589 -8.143 2.886 272 2HB ASP 36 2HB ASP 36 -7.651 -9.418 3.474 273 H GLY 37 H GLY 37 -4.596 -9.004 1.876 274 1HA GLY 37 1HA GLY 37 -2.784 -8.763 0.425 275 2HA GLY 37 2HA GLY 37 -3.886 -8.811 -0.938 276 H VAL 38 H VAL 38 -2.052 -6.841 1.139 277 HA VAL 38 HA VAL 38 -2.883 -4.543 -0.492 278 HB VAL 38 HB VAL 38 -2.280 -3.059 1.489 279 1HG1 VAL 38 1HG1 VAL 38 -4.722 -4.822 1.709 280 2HG1 VAL 38 2HG1 VAL 38 -4.577 -3.357 0.738 281 3HG1 VAL 38 3HG1 VAL 38 -4.510 -3.258 2.500 282 1HG2 VAL 38 1HG2 VAL 38 -1.152 -4.701 2.871 283 2HG2 VAL 38 2HG2 VAL 38 -2.625 -5.666 2.975 284 3HG2 VAL 38 3HG2 VAL 38 -2.563 -4.069 3.724 285 H VAL 39 H VAL 39 -1.238 -3.403 -1.380 286 HA VAL 39 HA VAL 39 1.501 -4.181 -0.622 287 HB VAL 39 HB VAL 39 0.490 -3.899 -3.458 288 1HG1 VAL 39 1HG1 VAL 39 3.191 -4.728 -2.400 289 2HG1 VAL 39 2HG1 VAL 39 2.815 -3.221 -3.235 290 3HG1 VAL 39 3HG1 VAL 39 2.701 -4.758 -4.096 291 1HG2 VAL 39 1HG2 VAL 39 0.877 -6.309 -3.651 292 2HG2 VAL 39 2HG2 VAL 39 -0.352 -5.946 -2.437 293 3HG2 VAL 39 3HG2 VAL 39 1.285 -6.379 -1.938 294 H LEU 40 H LEU 40 2.931 -2.538 -0.498 295 HA LEU 40 HA LEU 40 1.998 0.123 -1.314 296 1HB LEU 40 1HB LEU 40 4.166 -0.764 0.581 297 2HB LEU 40 2HB LEU 40 4.034 0.891 0.020 298 HG LEU 40 HG LEU 40 1.665 0.868 0.963 299 1HD1 LEU 40 1HD1 LEU 40 1.206 -0.725 2.735 300 2HD1 LEU 40 2HD1 LEU 40 2.716 -1.568 2.385 301 3HD1 LEU 40 3HD1 LEU 40 1.419 -1.546 1.188 302 1HD2 LEU 40 1HD2 LEU 40 3.993 0.591 2.855 303 2HD2 LEU 40 2HD2 LEU 40 2.439 1.341 3.227 304 3HD2 LEU 40 3HD2 LEU 40 3.499 2.061 2.016 305 H LEU 41 H LEU 41 2.689 0.912 -3.164 306 HA LEU 41 HA LEU 41 5.043 -0.335 -4.403 307 1HB LEU 41 1HB LEU 41 2.778 -0.481 -5.521 308 2HB LEU 41 2HB LEU 41 2.861 1.253 -5.754 309 HG LEU 41 HG LEU 41 5.052 -0.481 -6.830 310 1HD1 LEU 41 1HD1 LEU 41 3.811 -0.743 -8.908 311 2HD1 LEU 41 2HD1 LEU 41 2.408 0.041 -8.182 312 3HD1 LEU 41 3HD1 LEU 41 2.962 -1.518 -7.570 313 1HD2 LEU 41 1HD2 LEU 41 5.172 1.277 -8.516 314 2HD2 LEU 41 2HD2 LEU 41 5.311 1.955 -6.894 315 3HD2 LEU 41 3HD2 LEU 41 3.793 2.091 -7.780 316 H SER 42 H SER 42 6.819 0.833 -4.739 317 HA SER 42 HA SER 42 6.717 3.696 -4.118 318 1HB SER 42 1HB SER 42 9.109 1.860 -4.385 319 2HB SER 42 2HB SER 42 9.136 3.528 -3.812 320 HG SER 42 HG SER 42 7.516 1.593 -2.558 321 H SER 43 H SER 43 7.103 5.234 -5.622 322 HA SER 43 HA SER 43 8.476 4.659 -8.084 323 1HB SER 43 1HB SER 43 6.099 3.828 -8.434 324 2HB SER 43 2HB SER 43 5.568 5.497 -8.252 325 HG SER 43 HG SER 43 6.378 4.337 -10.444 326 H ASP 44 H ASP 44 7.697 6.838 -9.566 327 HA ASP 44 HA ASP 44 9.067 8.978 -8.372 328 1HB ASP 44 1HB ASP 44 7.079 9.034 -10.661 329 2HB ASP 44 2HB ASP 44 8.191 10.336 -10.253 330 HA PRO 45 HA PRO 45 5.874 10.408 -5.589 331 1HB PRO 45 1HB PRO 45 7.527 12.857 -5.514 332 2HB PRO 45 2HB PRO 45 7.013 11.806 -4.192 333 1HG PRO 45 1HG PRO 45 9.547 11.818 -5.042 334 2HG PRO 45 2HG PRO 45 8.756 10.321 -4.516 335 1HD PRO 45 1HD PRO 45 9.301 11.302 -7.291 336 2HD PRO 45 2HD PRO 45 9.429 9.656 -6.633 337 H LYS 46 H LYS 46 4.020 11.417 -6.039 338 HA LYS 46 HA LYS 46 4.045 13.585 -8.019 339 1HB LYS 46 1HB LYS 46 3.149 11.361 -8.857 340 2HB LYS 46 2HB LYS 46 1.818 11.584 -7.734 341 1HG LYS 46 1HG LYS 46 1.159 13.623 -8.855 342 2HG LYS 46 2HG LYS 46 2.541 13.496 -9.943 343 1HD LYS 46 1HD LYS 46 1.637 11.359 -10.788 344 2HD LYS 46 2HD LYS 46 0.230 11.564 -9.744 345 1HE LYS 46 1HE LYS 46 -0.300 13.666 -10.903 346 2HE LYS 46 2HE LYS 46 1.086 13.423 -11.963 347 1HZ LYS 46 1HZ LYS 46 -0.962 12.716 -13.018 348 2HZ LYS 46 2HZ LYS 46 -1.278 11.638 -11.753 349 3HZ LYS 46 3HZ LYS 46 0.058 11.382 -12.771 350 H ARG 47 H ARG 47 1.913 12.055 -5.591 351 HA ARG 47 HA ARG 47 1.005 14.747 -4.834 352 1HB ARG 47 1HB ARG 47 -0.778 13.205 -5.494 353 2HB ARG 47 2HB ARG 47 -0.243 12.045 -4.292 354 1HG ARG 47 1HG ARG 47 -2.078 13.046 -3.305 355 2HG ARG 47 2HG ARG 47 -0.710 13.887 -2.579 356 1HD ARG 47 1HD ARG 47 -2.392 14.888 -4.874 357 2HD ARG 47 2HD ARG 47 -2.501 15.422 -3.202 358 HE ARG 47 HE ARG 47 -0.309 15.985 -5.073 359 1HH1 ARG 47 1HH1 ARG 47 -1.848 16.527 -1.963 360 2HH1 ARG 47 2HH1 ARG 47 -0.943 17.974 -1.630 361 1HH2 ARG 47 1HH2 ARG 47 0.851 17.905 -4.650 362 2HH2 ARG 47 2HH2 ARG 47 0.561 18.776 -3.172 363 H THR 48 H THR 48 2.626 11.904 -3.686 364 HA THR 48 HA THR 48 2.379 12.330 -0.915 365 HB THR 48 HB THR 48 4.495 10.868 -0.854 366 HG1 THR 48 HG1 THR 48 5.430 10.785 -2.756 367 1HG2 THR 48 1HG2 THR 48 3.234 8.857 -1.463 368 2HG2 THR 48 2HG2 THR 48 2.028 9.856 -2.275 369 3HG2 THR 48 3HG2 THR 48 2.241 9.974 -0.528 370 HA PRO 49 HA PRO 49 5.023 15.956 -0.662 371 1HB PRO 49 1HB PRO 49 4.731 15.419 2.237 372 2HB PRO 49 2HB PRO 49 4.370 16.887 1.325 373 1HG PRO 49 1HG PRO 49 2.407 15.337 2.256 374 2HG PRO 49 2HG PRO 49 2.277 16.128 0.673 375 1HD PRO 49 1HD PRO 49 2.939 13.280 1.320 376 2HD PRO 49 2HD PRO 49 1.909 13.933 0.028 377 H GLU 50 H GLU 50 5.428 13.168 1.479 378 HA GLU 50 HA GLU 50 8.345 13.457 1.277 379 1HB GLU 50 1HB GLU 50 7.351 13.487 3.566 380 2HB GLU 50 2HB GLU 50 6.711 11.878 3.280 381 1HG GLU 50 1HG GLU 50 9.291 11.402 2.768 382 2HG GLU 50 2HG GLU 50 9.466 12.747 3.897 383 H VAL 51 H VAL 51 7.523 10.463 2.427 384 HA VAL 51 HA VAL 51 7.251 9.196 -0.213 385 HB VAL 51 HB VAL 51 8.938 8.044 2.009 386 1HG1 VAL 51 1HG1 VAL 51 9.747 6.533 0.262 387 2HG1 VAL 51 2HG1 VAL 51 8.689 7.323 -0.910 388 3HG1 VAL 51 3HG1 VAL 51 7.994 6.435 0.445 389 1HG2 VAL 51 1HG2 VAL 51 10.933 8.670 0.743 390 2HG2 VAL 51 2HG2 VAL 51 10.013 10.100 1.214 391 3HG2 VAL 51 3HG2 VAL 51 9.929 9.503 -0.446 392 H SER 52 H SER 52 7.312 8.606 3.280 393 HA SER 52 HA SER 52 4.891 6.984 2.973 394 1HB SER 52 1HB SER 52 6.851 5.768 3.877 395 2HB SER 52 2HB SER 52 6.910 6.908 5.218 396 HG SER 52 HG SER 52 4.429 5.877 4.947 397 H ASP 53 H ASP 53 6.512 9.298 5.053 398 HA ASP 53 HA ASP 53 5.831 10.739 6.650 399 1HB ASP 53 1HB ASP 53 5.001 11.773 4.507 400 2HB ASP 53 2HB ASP 53 3.413 11.121 4.895 401 H ASN 54 H ASN 54 5.536 8.812 8.019 402 HA ASN 54 HA ASN 54 4.490 7.814 9.755 403 1HB ASN 54 1HB ASN 54 3.669 10.032 10.346 404 2HB ASN 54 2HB ASN 54 2.315 9.851 9.239 405 1HD2 ASN 54 1HD2 ASN 54 0.520 8.791 9.897 406 2HD2 ASN 54 2HD2 ASN 54 0.304 8.173 11.501 407 HA PRO 55 HA PRO 55 2.056 5.153 6.936 408 1HB PRO 55 1HB PRO 55 3.390 2.880 7.422 409 2HB PRO 55 2HB PRO 55 4.043 4.119 6.344 410 1HG PRO 55 1HG PRO 55 4.722 3.553 9.206 411 2HG PRO 55 2HG PRO 55 5.807 3.917 7.853 412 1HD PRO 55 1HD PRO 55 5.009 5.769 9.709 413 2HD PRO 55 2HD PRO 55 5.489 6.178 8.050 414 H VAL 56 H VAL 56 2.459 5.398 10.249 415 HA VAL 56 HA VAL 56 1.343 3.022 11.242 416 HB VAL 56 HB VAL 56 1.112 5.751 12.516 417 1HG1 VAL 56 1HG1 VAL 56 1.149 4.488 14.621 418 2HG1 VAL 56 2HG1 VAL 56 1.200 2.982 13.707 419 3HG1 VAL 56 3HG1 VAL 56 -0.213 4.031 13.599 420 1HG2 VAL 56 1HG2 VAL 56 3.424 3.813 12.677 421 2HG2 VAL 56 2HG2 VAL 56 3.263 5.314 13.588 422 3HG2 VAL 56 3HG2 VAL 56 3.429 5.363 11.835 423 H MET 57 H MET 57 -0.095 5.993 10.066 424 HA MET 57 HA MET 57 -2.651 5.744 11.103 425 1HB MET 57 1HB MET 57 -1.731 7.783 10.083 426 2HB MET 57 2HB MET 57 -1.753 7.004 8.509 427 1HG MET 57 1HG MET 57 -4.144 6.863 8.569 428 2HG MET 57 2HG MET 57 -4.168 7.542 10.194 429 1HE MET 57 1HE MET 57 -2.829 9.887 6.447 430 2HE MET 57 2HE MET 57 -3.393 8.216 6.413 431 3HE MET 57 3HE MET 57 -1.858 8.613 7.189 432 H ILE 58 H ILE 58 -1.212 4.396 8.186 433 HA ILE 58 HA ILE 58 -3.637 3.394 7.088 434 HB ILE 58 HB ILE 58 -0.797 2.469 6.603 435 1HG1 ILE 58 1HG1 ILE 58 -1.090 4.850 6.101 436 2HG1 ILE 58 2HG1 ILE 58 -0.868 3.920 4.622 437 1HG2 ILE 58 1HG2 ILE 58 -1.664 1.593 4.477 438 2HG2 ILE 58 2HG2 ILE 58 -3.299 2.030 4.976 439 3HG2 ILE 58 3HG2 ILE 58 -2.399 0.803 5.873 440 1HD1 ILE 58 1HD1 ILE 58 -3.284 4.000 4.224 441 2HD1 ILE 58 2HD1 ILE 58 -2.575 5.611 4.336 442 3HD1 ILE 58 3HD1 ILE 58 -3.485 4.952 5.694 443 H GLY 59 H GLY 59 -1.230 2.150 9.319 444 1HA GLY 59 1HA GLY 59 -2.053 -0.576 9.209 445 2HA GLY 59 2HA GLY 59 -1.057 0.155 10.460 446 H GLU 60 H GLU 60 -2.744 2.077 11.442 447 HA GLU 60 HA GLU 60 -4.372 0.542 13.173 448 1HB GLU 60 1HB GLU 60 -4.487 3.533 12.781 449 2HB GLU 60 2HB GLU 60 -4.939 2.623 14.213 450 1HG GLU 60 1HG GLU 60 -2.154 2.947 13.117 451 2HG GLU 60 2HG GLU 60 -2.818 3.754 14.534 452 H LEU 61 H LEU 61 -4.964 2.282 10.219 453 HA LEU 61 HA LEU 61 -7.761 2.500 10.306 454 1HB LEU 61 1HB LEU 61 -6.519 3.670 8.633 455 2HB LEU 61 2HB LEU 61 -5.840 2.179 8.008 456 HG LEU 61 HG LEU 61 -8.223 1.532 7.376 457 1HD1 LEU 61 1HD1 LEU 61 -8.655 4.472 7.870 458 2HD1 LEU 61 2HD1 LEU 61 -9.407 3.142 8.746 459 3HD1 LEU 61 3HD1 LEU 61 -9.779 3.397 7.043 460 1HD2 LEU 61 1HD2 LEU 61 -6.526 2.211 5.759 461 2HD2 LEU 61 2HD2 LEU 61 -6.944 3.903 6.025 462 3HD2 LEU 61 3HD2 LEU 61 -8.122 2.809 5.301 463 H LEU 62 H LEU 62 -5.742 -0.007 8.817 464 HA LEU 62 HA LEU 62 -7.711 -1.610 7.737 465 1HB LEU 62 1HB LEU 62 -4.916 -2.039 8.623 466 2HB LEU 62 2HB LEU 62 -5.877 -3.470 8.315 467 HG LEU 62 HG LEU 62 -6.203 -2.856 6.017 468 1HD1 LEU 62 1HD1 LEU 62 -4.750 -0.290 6.650 469 2HD1 LEU 62 2HD1 LEU 62 -6.473 -0.444 6.305 470 3HD1 LEU 62 3HD1 LEU 62 -5.286 -0.812 5.052 471 1HD2 LEU 62 1HD2 LEU 62 -3.910 -2.866 5.205 472 2HD2 LEU 62 2HD2 LEU 62 -4.091 -3.956 6.580 473 3HD2 LEU 62 3HD2 LEU 62 -3.330 -2.380 6.797 474 H ARG 63 H ARG 63 -6.819 -1.296 11.044 475 HA ARG 63 HA ARG 63 -7.519 -3.815 12.054 476 1HB ARG 63 1HB ARG 63 -7.687 -1.165 13.489 477 2HB ARG 63 2HB ARG 63 -7.513 -2.753 14.225 478 1HG ARG 63 1HG ARG 63 -5.470 -1.649 12.331 479 2HG ARG 63 2HG ARG 63 -5.438 -1.296 14.059 480 1HD ARG 63 1HD ARG 63 -5.168 -3.604 14.599 481 2HD ARG 63 2HD ARG 63 -5.479 -4.091 12.934 482 HE ARG 63 HE ARG 63 -3.239 -3.906 12.634 483 1HH1 ARG 63 1HH1 ARG 63 -4.151 -1.464 14.990 484 2HH1 ARG 63 2HH1 ARG 63 -2.566 -0.756 15.047 485 1HH2 ARG 63 1HH2 ARG 63 -1.143 -3.021 12.777 486 2HH2 ARG 63 2HH2 ARG 63 -0.862 -1.654 13.819 487 H GLU 64 H GLU 64 -9.618 -1.479 10.738 488 HA GLU 64 HA GLU 64 -11.816 -2.022 12.525 489 1HB GLU 64 1HB GLU 64 -13.159 -0.619 11.087 490 2HB GLU 64 2HB GLU 64 -11.623 0.167 11.415 491 1HG GLU 64 1HG GLU 64 -10.821 -0.290 9.241 492 2HG GLU 64 2HG GLU 64 -12.156 -1.394 8.907 493 H PHE 65 H PHE 65 -10.441 -3.620 9.890 494 HA PHE 65 HA PHE 65 -12.912 -5.190 9.557 495 1HB PHE 65 1HB PHE 65 -10.745 -4.533 7.583 496 2HB PHE 65 2HB PHE 65 -11.748 -5.965 7.374 497 HD1 PHE 65 HD1 PHE 65 -14.244 -5.669 7.208 498 HD2 PHE 65 HD2 PHE 65 -11.512 -2.412 6.936 499 HE1 PHE 65 HE1 PHE 65 -15.981 -4.306 6.122 500 HE2 PHE 65 HE2 PHE 65 -13.247 -1.045 5.850 501 HZ PHE 65 HZ PHE 65 -15.483 -1.991 5.445 502 HA PRO 66 HA PRO 66 -10.027 -8.146 11.432 503 1HB PRO 66 1HB PRO 66 -11.721 -9.201 13.206 504 2HB PRO 66 2HB PRO 66 -10.987 -7.615 13.477 505 1HG PRO 66 1HG PRO 66 -13.747 -8.303 12.587 506 2HG PRO 66 2HG PRO 66 -13.199 -6.978 13.628 507 1HD PRO 66 1HD PRO 66 -13.799 -6.798 10.892 508 2HD PRO 66 2HD PRO 66 -12.920 -5.593 11.853 509 H ASP 67 H ASP 67 -12.572 -8.366 9.363 510 HA ASP 67 HA ASP 67 -13.241 -11.131 9.534 511 1HB ASP 67 1HB ASP 67 -14.571 -9.192 8.433 512 2HB ASP 67 2HB ASP 67 -13.533 -9.475 7.040 513 H TYR 68 H TYR 68 -10.820 -9.275 7.996 514 HA TYR 68 HA TYR 68 -9.538 -11.705 6.995 515 1HB TYR 68 1HB TYR 68 -9.681 -8.970 5.706 516 2HB TYR 68 2HB TYR 68 -8.524 -10.196 5.236 517 HD1 TYR 68 HD1 TYR 68 -11.721 -8.848 4.609 518 HD2 TYR 68 HD2 TYR 68 -9.540 -12.497 4.512 519 HE1 TYR 68 HE1 TYR 68 -13.350 -9.774 3.018 520 HE2 TYR 68 HE2 TYR 68 -11.166 -13.435 2.925 521 HH TYR 68 HH TYR 68 -13.331 -11.592 1.219 522 H THR 69 H THR 69 -7.470 -11.929 7.760 523 HA THR 69 HA THR 69 -6.388 -9.787 9.379 524 HB THR 69 HB THR 69 -4.407 -11.468 9.534 525 HG1 THR 69 HG1 THR 69 -6.189 -13.529 9.188 526 1HG2 THR 69 1HG2 THR 69 -5.948 -10.937 11.363 527 2HG2 THR 69 2HG2 THR 69 -5.526 -12.649 11.352 528 3HG2 THR 69 3HG2 THR 69 -7.095 -12.124 10.741 529 H TRP 70 H TRP 70 -5.579 -8.163 8.290 530 HA TRP 70 HA TRP 70 -4.909 -8.260 5.578 531 1HB TRP 70 1HB TRP 70 -4.260 -6.154 7.644 532 2HB TRP 70 2HB TRP 70 -4.095 -5.941 5.904 533 HD1 TRP 70 HD1 TRP 70 -6.703 -6.062 8.671 534 HE1 TRP 70 HE1 TRP 70 -8.965 -5.289 7.733 535 HE3 TRP 70 HE3 TRP 70 -5.498 -5.887 3.702 536 HZ2 TRP 70 HZ2 TRP 70 -10.093 -4.679 5.212 537 HZ3 TRP 70 HZ3 TRP 70 -7.229 -5.200 2.095 538 HH2 TRP 70 HH2 TRP 70 -9.478 -4.611 2.837 539 H GLN 71 H GLN 71 -3.220 -9.037 4.624 540 HA GLN 71 HA GLN 71 -0.662 -9.170 6.073 541 1HB GLN 71 1HB GLN 71 -1.350 -10.536 3.468 542 2HB GLN 71 2HB GLN 71 -0.028 -10.912 4.570 543 1HG GLN 71 1HG GLN 71 -1.670 -11.616 6.263 544 2HG GLN 71 2HG GLN 71 -2.963 -11.303 5.109 545 1HE2 GLN 71 1HE2 GLN 71 -3.694 -13.374 5.030 546 2HE2 GLN 71 2HE2 GLN 71 -2.795 -14.680 4.339 547 H VAL 72 H VAL 72 0.541 -7.429 5.721 548 HA VAL 72 HA VAL 72 0.170 -5.876 3.297 549 HB VAL 72 HB VAL 72 1.968 -5.261 5.643 550 1HG1 VAL 72 1HG1 VAL 72 2.520 -4.035 3.611 551 2HG1 VAL 72 2HG1 VAL 72 1.831 -2.956 4.824 552 3HG1 VAL 72 3HG1 VAL 72 0.845 -3.499 3.464 553 1HG2 VAL 72 1HG2 VAL 72 -0.871 -4.365 5.149 554 2HG2 VAL 72 2HG2 VAL 72 0.177 -3.822 6.461 555 3HG2 VAL 72 3HG2 VAL 72 -0.344 -5.507 6.388 556 H ALA 73 H ALA 73 1.367 -6.122 1.582 557 HA ALA 73 HA ALA 73 4.031 -7.339 1.842 558 1HB ALA 73 1HB ALA 73 2.225 -7.151 -0.568 559 2HB ALA 73 2HB ALA 73 2.467 -8.583 0.433 560 3HB ALA 73 3HB ALA 73 3.803 -7.934 -0.518 561 H ILE 74 H ILE 74 5.795 -6.191 1.278 562 HA ILE 74 HA ILE 74 5.364 -3.682 -0.207 563 HB ILE 74 HB ILE 74 7.215 -2.655 1.083 564 1HG1 ILE 74 1HG1 ILE 74 6.963 -5.131 2.803 565 2HG1 ILE 74 2HG1 ILE 74 8.348 -4.713 1.802 566 1HG2 ILE 74 1HG2 ILE 74 4.896 -3.633 2.741 567 2HG2 ILE 74 2HG2 ILE 74 4.907 -2.211 1.699 568 3HG2 ILE 74 3HG2 ILE 74 5.929 -2.262 3.135 569 1HD1 ILE 74 1HD1 ILE 74 8.765 -2.755 3.174 570 2HD1 ILE 74 2HD1 ILE 74 8.743 -4.223 4.152 571 3HD1 ILE 74 3HD1 ILE 74 7.354 -3.136 4.160 572 H ALA 75 H ALA 75 6.969 -3.130 -1.700 573 HA ALA 75 HA ALA 75 8.799 -5.358 -2.342 574 1HB ALA 75 1HB ALA 75 6.876 -5.251 -3.863 575 2HB ALA 75 2HB ALA 75 8.399 -4.937 -4.695 576 3HB ALA 75 3HB ALA 75 7.323 -3.601 -4.295 577 H ASP 76 H ASP 76 10.730 -4.852 -3.441 578 HA ASP 76 HA ASP 76 12.128 -2.557 -2.614 579 1HB ASP 76 1HB ASP 76 12.841 -4.165 -5.064 580 2HB ASP 76 2HB ASP 76 13.926 -3.344 -3.952 581 H LEU 77 H LEU 77 13.208 -1.017 -4.202 582 HA LEU 77 HA LEU 77 11.324 0.484 -5.633 583 1HB LEU 77 1HB LEU 77 14.332 0.414 -5.921 584 2HB LEU 77 2HB LEU 77 13.294 1.634 -6.628 585 HG LEU 77 HG LEU 77 13.623 1.140 -3.672 586 1HD1 LEU 77 1HD1 LEU 77 15.634 2.077 -4.681 587 2HD1 LEU 77 2HD1 LEU 77 14.817 3.268 -3.669 588 3HD1 LEU 77 3HD1 LEU 77 14.672 3.354 -5.425 589 1HD2 LEU 77 1HD2 LEU 77 12.149 3.307 -5.163 590 2HD2 LEU 77 2HD2 LEU 77 12.370 3.222 -3.415 591 3HD2 LEU 77 3HD2 LEU 77 11.407 1.997 -4.244 592 H GLU 78 H GLU 78 13.771 -1.815 -6.747 593 HA GLU 78 HA GLU 78 13.242 -1.679 -9.496 594 1HB GLU 78 1HB GLU 78 14.286 -3.967 -7.822 595 2HB GLU 78 2HB GLU 78 14.341 -3.909 -9.578 596 1HG GLU 78 1HG GLU 78 15.891 -2.149 -9.575 597 2HG GLU 78 2HG GLU 78 15.615 -1.800 -7.870 598 H GLN 79 H GLN 79 11.907 -3.738 -6.956 599 HA GLN 79 HA GLN 79 10.422 -5.409 -8.696 600 1HB GLN 79 1HB GLN 79 10.051 -4.898 -5.740 601 2HB GLN 79 2HB GLN 79 9.340 -6.225 -6.646 602 1HG GLN 79 1HG GLN 79 12.291 -5.757 -6.262 603 2HG GLN 79 2HG GLN 79 11.310 -6.916 -5.368 604 1HE2 GLN 79 1HE2 GLN 79 13.643 -7.330 -7.102 605 2HE2 GLN 79 2HE2 GLN 79 13.126 -8.427 -8.337 606 H SER 80 H SER 80 9.630 -2.495 -6.865 607 HA SER 80 HA SER 80 6.860 -2.520 -7.186 608 1HB SER 80 1HB SER 80 8.753 -0.170 -6.990 609 2HB SER 80 2HB SER 80 7.001 -0.048 -6.850 610 HG SER 80 HG SER 80 8.818 -1.381 -5.128 611 H GLU 81 H GLU 81 9.383 -1.323 -9.330 612 HA GLU 81 HA GLU 81 7.672 -0.038 -11.178 613 1HB GLU 81 1HB GLU 81 10.342 -0.063 -10.785 614 2HB GLU 81 2HB GLU 81 10.242 -1.183 -12.135 615 1HG GLU 81 1HG GLU 81 8.777 1.370 -12.401 616 2HG GLU 81 2HG GLU 81 10.535 1.446 -12.436 617 H ALA 82 H ALA 82 8.863 -3.315 -10.852 618 HA ALA 82 HA ALA 82 7.896 -4.194 -13.404 619 1HB ALA 82 1HB ALA 82 8.541 -6.410 -12.673 620 2HB ALA 82 2HB ALA 82 8.740 -5.829 -11.019 621 3HB ALA 82 3HB ALA 82 9.814 -5.250 -12.290 622 H ILE 83 H ILE 83 6.753 -4.383 -10.059 623 HA ILE 83 HA ILE 83 4.502 -6.020 -10.544 624 HB ILE 83 HB ILE 83 4.915 -3.933 -8.389 625 1HG1 ILE 83 1HG1 ILE 83 5.269 -6.939 -8.342 626 2HG1 ILE 83 2HG1 ILE 83 6.574 -5.757 -8.382 627 1HG2 ILE 83 1HG2 ILE 83 2.866 -6.146 -8.553 628 2HG2 ILE 83 2HG2 ILE 83 2.544 -4.418 -8.688 629 3HG2 ILE 83 3HG2 ILE 83 3.128 -5.089 -7.165 630 1HD1 ILE 83 1HD1 ILE 83 5.877 -4.917 -6.203 631 2HD1 ILE 83 2HD1 ILE 83 6.245 -6.639 -6.151 632 3HD1 ILE 83 3HD1 ILE 83 4.566 -6.096 -6.167 633 H GLY 84 H GLY 84 4.885 -2.494 -10.393 634 1HA GLY 84 1HA GLY 84 2.218 -1.794 -10.879 635 2HA GLY 84 2HA GLY 84 3.613 -0.791 -11.254 636 H ASP 85 H ASP 85 4.877 -2.395 -13.124 637 HA ASP 85 HA ASP 85 3.599 -1.561 -15.472 638 1HB ASP 85 1HB ASP 85 6.047 -2.022 -15.195 639 2HB ASP 85 2HB ASP 85 5.681 -3.741 -15.234 640 H ARG 86 H ARG 86 3.713 -4.731 -13.896 641 HA ARG 86 HA ARG 86 2.562 -6.224 -15.934 642 1HB ARG 86 1HB ARG 86 3.776 -7.184 -14.068 643 2HB ARG 86 2HB ARG 86 2.544 -6.630 -12.948 644 1HG ARG 86 1HG ARG 86 1.069 -8.245 -13.540 645 2HG ARG 86 2HG ARG 86 1.714 -8.394 -15.174 646 1HD ARG 86 1HD ARG 86 2.242 -10.354 -13.920 647 2HD ARG 86 2HD ARG 86 3.718 -9.479 -14.258 648 HE ARG 86 HE ARG 86 3.786 -8.818 -11.952 649 1HH1 ARG 86 1HH1 ARG 86 1.285 -11.170 -12.702 650 2HH1 ARG 86 2HH1 ARG 86 1.306 -11.877 -11.105 651 1HH2 ARG 86 1HH2 ARG 86 3.783 -9.699 -9.858 652 2HH2 ARG 86 2HH2 ARG 86 2.700 -11.012 -9.485 653 H PHE 87 H PHE 87 1.069 -4.204 -13.498 654 HA PHE 87 HA PHE 87 -1.566 -5.304 -14.202 655 1HB PHE 87 1HB PHE 87 -0.897 -5.131 -11.780 656 2HB PHE 87 2HB PHE 87 -0.921 -3.380 -11.961 657 HD1 PHE 87 HD1 PHE 87 -2.967 -2.171 -11.933 658 HD2 PHE 87 HD2 PHE 87 -2.994 -6.425 -12.031 659 HE1 PHE 87 HE1 PHE 87 -5.374 -2.163 -11.430 660 HE2 PHE 87 HE2 PHE 87 -5.403 -6.425 -11.531 661 HZ PHE 87 HZ PHE 87 -6.597 -4.291 -11.227 662 H GLY 88 H GLY 88 0.212 -2.263 -14.021 663 1HA GLY 88 1HA GLY 88 -0.240 -0.595 -15.770 664 2HA GLY 88 2HA GLY 88 -1.944 -0.996 -15.595 665 H VAL 89 H VAL 89 0.502 -0.468 -13.103 666 HA VAL 89 HA VAL 89 -1.290 1.342 -11.719 667 HB VAL 89 HB VAL 89 1.490 0.417 -10.952 668 1HG1 VAL 89 1HG1 VAL 89 0.881 1.143 -8.691 669 2HG1 VAL 89 2HG1 VAL 89 -0.649 1.766 -9.306 670 3HG1 VAL 89 3HG1 VAL 89 0.871 2.489 -9.829 671 1HG2 VAL 89 1HG2 VAL 89 0.345 -1.134 -9.430 672 2HG2 VAL 89 2HG2 VAL 89 -0.053 -1.459 -11.117 673 3HG2 VAL 89 3HG2 VAL 89 -1.210 -0.618 -10.086 674 H PHE 90 H PHE 90 -0.914 3.505 -11.345 675 HA PHE 90 HA PHE 90 0.565 4.888 -13.359 676 1HB PHE 90 1HB PHE 90 -0.647 6.119 -10.885 677 2HB PHE 90 2HB PHE 90 -0.368 6.876 -12.449 678 HD1 PHE 90 HD1 PHE 90 -1.677 5.873 -14.457 679 HD2 PHE 90 HD2 PHE 90 -2.732 5.271 -10.377 680 HE1 PHE 90 HE1 PHE 90 -3.971 5.308 -15.133 681 HE2 PHE 90 HE2 PHE 90 -5.029 4.703 -11.050 682 HZ PHE 90 HZ PHE 90 -5.651 4.723 -13.433 683 H ARG 91 H ARG 91 2.169 6.598 -12.840 684 HA ARG 91 HA ARG 91 4.178 5.393 -11.157 685 1HB ARG 91 1HB ARG 91 5.683 7.158 -12.097 686 2HB ARG 91 2HB ARG 91 4.962 6.081 -13.281 687 1HG ARG 91 1HG ARG 91 3.329 7.806 -13.860 688 2HG ARG 91 2HG ARG 91 4.048 8.887 -12.663 689 1HD ARG 91 1HD ARG 91 6.159 8.843 -13.869 690 2HD ARG 91 2HD ARG 91 5.486 7.709 -15.038 691 HE ARG 91 HE ARG 91 4.269 10.367 -14.725 692 1HH1 ARG 91 1HH1 ARG 91 5.975 7.992 -16.667 693 2HH1 ARG 91 2HH1 ARG 91 5.853 8.922 -18.130 694 1HH2 ARG 91 1HH2 ARG 91 4.090 11.567 -16.679 695 2HH2 ARG 91 2HH2 ARG 91 4.789 10.926 -18.138 696 H PHE 92 H PHE 92 3.200 5.761 -9.138 697 HA PHE 92 HA PHE 92 4.529 7.889 -7.845 698 1HB PHE 92 1HB PHE 92 2.562 8.971 -6.779 699 2HB PHE 92 2HB PHE 92 2.653 9.266 -8.508 700 HD1 PHE 92 HD1 PHE 92 0.866 8.718 -9.915 701 HD2 PHE 92 HD2 PHE 92 0.921 7.260 -5.919 702 HE1 PHE 92 HE1 PHE 92 -1.466 7.979 -10.157 703 HE2 PHE 92 HE2 PHE 92 -1.412 6.510 -6.158 704 HZ PHE 92 HZ PHE 92 -2.608 6.872 -8.279 705 HA PRO 93 HA PRO 93 4.258 4.894 -4.604 706 1HB PRO 93 1HB PRO 93 4.491 6.963 -2.571 707 2HB PRO 93 2HB PRO 93 5.674 5.749 -3.060 708 1HG PRO 93 1HG PRO 93 5.958 8.401 -3.556 709 2HG PRO 93 2HG PRO 93 6.669 7.140 -4.576 710 1HD PRO 93 1HD PRO 93 4.219 8.793 -5.023 711 2HD PRO 93 2HD PRO 93 5.435 8.233 -6.192 712 H ALA 94 H ALA 94 2.539 3.963 -3.773 713 HA ALA 94 HA ALA 94 0.545 5.404 -2.288 714 1HB ALA 94 1HB ALA 94 -1.328 4.894 -3.766 715 2HB ALA 94 2HB ALA 94 -0.216 4.206 -4.950 716 3HB ALA 94 3HB ALA 94 -0.145 5.928 -4.573 717 H THR 95 H THR 95 -1.273 3.916 -1.651 718 HA THR 95 HA THR 95 -0.189 1.233 -1.160 719 HB THR 95 HB THR 95 -2.546 2.571 0.180 720 HG1 THR 95 HG1 THR 95 -0.096 3.297 0.412 721 1HG2 THR 95 1HG2 THR 95 -2.550 0.122 0.317 722 2HG2 THR 95 2HG2 THR 95 -2.232 0.847 1.892 723 3HG2 THR 95 3HG2 THR 95 -0.907 0.152 0.958 724 H LEU 96 H LEU 96 -0.932 -0.384 -2.350 725 HA LEU 96 HA LEU 96 -3.398 -0.043 -3.886 726 1HB LEU 96 1HB LEU 96 -1.424 -2.323 -4.021 727 2HB LEU 96 2HB LEU 96 -2.644 -1.899 -5.206 728 HG LEU 96 HG LEU 96 -0.168 -0.291 -4.569 729 1HD1 LEU 96 1HD1 LEU 96 0.327 -2.342 -5.771 730 2HD1 LEU 96 2HD1 LEU 96 0.536 -0.939 -6.821 731 3HD1 LEU 96 3HD1 LEU 96 -0.901 -1.949 -6.976 732 1HD2 LEU 96 1HD2 LEU 96 -2.333 0.170 -6.617 733 2HD2 LEU 96 2HD2 LEU 96 -0.820 1.070 -6.505 734 3HD2 LEU 96 3HD2 LEU 96 -2.001 1.164 -5.200 735 H VAL 97 H VAL 97 -5.244 -0.880 -3.129 736 HA VAL 97 HA VAL 97 -5.048 -3.026 -1.136 737 HB VAL 97 HB VAL 97 -6.185 -1.095 -0.252 738 1HG1 VAL 97 1HG1 VAL 97 -6.936 -0.059 -2.313 739 2HG1 VAL 97 2HG1 VAL 97 -8.277 -0.250 -1.185 740 3HG1 VAL 97 3HG1 VAL 97 -8.113 -1.351 -2.555 741 1HG2 VAL 97 1HG2 VAL 97 -8.335 -2.105 0.396 742 2HG2 VAL 97 2HG2 VAL 97 -6.998 -3.250 0.494 743 3HG2 VAL 97 3HG2 VAL 97 -8.123 -3.325 -0.860 744 H PHE 98 H PHE 98 -5.580 -4.992 -1.680 745 HA PHE 98 HA PHE 98 -7.157 -5.427 -4.119 746 1HB PHE 98 1HB PHE 98 -5.268 -7.274 -2.639 747 2HB PHE 98 2HB PHE 98 -6.184 -7.716 -4.074 748 HD1 PHE 98 HD1 PHE 98 -3.454 -5.595 -2.796 749 HD2 PHE 98 HD2 PHE 98 -5.455 -7.092 -6.242 750 HE1 PHE 98 HE1 PHE 98 -1.608 -4.795 -4.212 751 HE2 PHE 98 HE2 PHE 98 -3.613 -6.294 -7.664 752 HZ PHE 98 HZ PHE 98 -1.687 -5.143 -6.646 753 H THR 99 H THR 99 -8.220 -7.747 -3.920 754 HA THR 99 HA THR 99 -9.230 -8.373 -1.276 755 HB THR 99 HB THR 99 -11.439 -8.366 -3.197 756 HG1 THR 99 HG1 THR 99 -10.016 -5.992 -2.653 757 1HG2 THR 99 1HG2 THR 99 -11.050 -7.172 -0.447 758 2HG2 THR 99 2HG2 THR 99 -11.758 -8.744 -0.818 759 3HG2 THR 99 3HG2 THR 99 -12.590 -7.265 -1.299 760 H GLY 100 H GLY 100 -11.055 -10.307 -1.905 761 1HA GLY 100 1HA GLY 100 -9.500 -12.458 -2.795 762 2HA GLY 100 2HA GLY 100 -11.254 -12.464 -2.669 763 H GLY 101 H GLY 101 -8.525 -12.031 -4.765 764 1HA GLY 101 1HA GLY 101 -8.328 -12.096 -7.050 765 2HA GLY 101 2HA GLY 101 -9.961 -12.747 -7.095 766 H ASN 102 H ASN 102 -9.337 -9.680 -5.583 767 HA ASN 102 HA ASN 102 -10.522 -8.304 -7.900 768 1HB ASN 102 1HB ASN 102 -11.600 -8.548 -5.163 769 2HB ASN 102 2HB ASN 102 -11.614 -6.918 -5.827 770 1HD2 ASN 102 1HD2 ASN 102 -11.891 -9.710 -7.888 771 2HD2 ASN 102 2HD2 ASN 102 -13.565 -9.492 -8.276 772 H TYR 103 H TYR 103 -10.196 -6.016 -7.942 773 HA TYR 103 HA TYR 103 -7.930 -5.066 -6.314 774 1HB TYR 103 1HB TYR 103 -7.529 -5.339 -8.807 775 2HB TYR 103 2HB TYR 103 -8.736 -4.088 -9.063 776 HD1 TYR 103 HD1 TYR 103 -8.156 -1.800 -8.915 777 HD2 TYR 103 HD2 TYR 103 -5.432 -4.763 -7.532 778 HE1 TYR 103 HE1 TYR 103 -6.399 -0.086 -8.715 779 HE2 TYR 103 HE2 TYR 103 -3.675 -3.061 -7.325 780 HH TYR 103 HH TYR 103 -3.116 -0.882 -8.247 781 H ARG 104 H ARG 104 -8.614 -3.599 -4.836 782 HA ARG 104 HA ARG 104 -11.356 -2.693 -5.108 783 1HB ARG 104 1HB ARG 104 -9.947 -3.679 -2.994 784 2HB ARG 104 2HB ARG 104 -9.899 -1.949 -2.674 785 1HG ARG 104 1HG ARG 104 -11.794 -2.980 -1.572 786 2HG ARG 104 2HG ARG 104 -12.335 -1.852 -2.816 787 1HD ARG 104 1HD ARG 104 -12.665 -3.738 -4.359 788 2HD ARG 104 2HD ARG 104 -12.158 -4.853 -3.092 789 HE ARG 104 HE ARG 104 -14.426 -3.117 -2.514 790 1HH1 ARG 104 1HH1 ARG 104 -13.262 -6.278 -3.438 791 2HH1 ARG 104 2HH1 ARG 104 -14.750 -7.092 -3.045 792 1HH2 ARG 104 1HH2 ARG 104 -16.395 -4.155 -2.016 793 2HH2 ARG 104 2HH2 ARG 104 -16.545 -5.873 -2.241 794 H GLY 105 H GLY 105 -8.122 -1.287 -4.967 795 1HA GLY 105 1HA GLY 105 -8.617 0.927 -6.430 796 2HA GLY 105 2HA GLY 105 -9.195 1.398 -4.841 797 H VAL 106 H VAL 106 -7.486 3.056 -5.300 798 HA VAL 106 HA VAL 106 -4.882 2.119 -4.291 799 HB VAL 106 HB VAL 106 -5.270 4.323 -6.328 800 1HG1 VAL 106 1HG1 VAL 106 -3.317 4.591 -4.872 801 2HG1 VAL 106 2HG1 VAL 106 -2.855 4.285 -6.546 802 3HG1 VAL 106 3HG1 VAL 106 -2.749 2.991 -5.350 803 1HG2 VAL 106 1HG2 VAL 106 -5.788 2.210 -7.378 804 2HG2 VAL 106 2HG2 VAL 106 -4.297 1.505 -6.757 805 3HG2 VAL 106 3HG2 VAL 106 -4.229 2.795 -7.957 806 H LEU 107 H LEU 107 -4.144 3.251 -2.576 807 HA LEU 107 HA LEU 107 -5.624 5.630 -1.738 808 1HB LEU 107 1HB LEU 107 -3.536 3.980 -0.309 809 2HB LEU 107 2HB LEU 107 -4.328 5.384 0.376 810 HG LEU 107 HG LEU 107 -5.734 2.835 -0.438 811 1HD1 LEU 107 1HD1 LEU 107 -4.292 2.477 1.488 812 2HD1 LEU 107 2HD1 LEU 107 -5.989 2.470 1.972 813 3HD1 LEU 107 3HD1 LEU 107 -4.988 3.888 2.289 814 1HD2 LEU 107 1HD2 LEU 107 -7.169 4.791 -0.619 815 2HD2 LEU 107 2HD2 LEU 107 -6.720 5.293 1.011 816 3HD2 LEU 107 3HD2 LEU 107 -7.642 3.809 0.768 817 H ASN 108 H ASN 108 -4.908 7.398 -2.743 818 HA ASN 108 HA ASN 108 -2.008 7.798 -3.027 819 1HB ASN 108 1HB ASN 108 -3.215 7.812 -5.155 820 2HB ASN 108 2HB ASN 108 -4.307 9.051 -4.550 821 1HD2 ASN 108 1HD2 ASN 108 -3.808 10.542 -6.103 822 2HD2 ASN 108 2HD2 ASN 108 -2.279 11.335 -6.203 823 H GLY 109 H GLY 109 -1.052 9.391 -1.939 824 1HA GLY 109 1HA GLY 109 -0.882 11.579 -1.060 825 2HA GLY 109 2HA GLY 109 -2.637 11.663 -0.988 826 H ILE 110 H ILE 110 -2.128 12.507 1.205 827 HA ILE 110 HA ILE 110 -1.656 10.290 3.090 828 HB ILE 110 HB ILE 110 -1.280 13.253 3.585 829 1HG1 ILE 110 1HG1 ILE 110 0.455 12.342 2.104 830 2HG1 ILE 110 2HG1 ILE 110 1.119 12.746 3.683 831 1HG2 ILE 110 1HG2 ILE 110 -1.967 12.101 5.597 832 2HG2 ILE 110 2HG2 ILE 110 -0.263 12.535 5.712 833 3HG2 ILE 110 3HG2 ILE 110 -0.726 10.872 5.351 834 1HD1 ILE 110 1HD1 ILE 110 0.416 9.989 2.699 835 2HD1 ILE 110 2HD1 ILE 110 1.032 10.374 4.305 836 3HD1 ILE 110 3HD1 ILE 110 2.037 10.661 2.884 837 H HIS 111 H HIS 111 -3.201 13.483 3.233 838 HA HIS 111 HA HIS 111 -5.263 14.193 3.844 839 1HB HIS 111 1HB HIS 111 -5.958 11.292 3.432 840 2HB HIS 111 2HB HIS 111 -7.139 12.453 4.029 841 HD1 HIS 111 HD1 HIS 111 -8.045 14.195 2.356 842 HD2 HIS 111 HD2 HIS 111 -5.302 11.526 0.719 843 HE1 HIS 111 HE1 HIS 111 -8.266 14.438 -0.139 844 HE2 HIS 111 HE2 HIS 111 -6.749 12.673 -1.102 845 HA PRO 112 HA PRO 112 -5.333 13.783 8.301 846 1HB PRO 112 1HB PRO 112 -8.116 14.761 7.902 847 2HB PRO 112 2HB PRO 112 -6.848 15.375 8.969 848 1HG PRO 112 1HG PRO 112 -7.471 16.686 6.750 849 2HG PRO 112 2HG PRO 112 -5.775 16.516 7.248 850 1HD PRO 112 1HD PRO 112 -7.290 15.019 5.141 851 2HD PRO 112 2HD PRO 112 -5.630 15.649 5.100 852 H TRP 113 H TRP 113 -6.587 12.636 9.904 853 HA TRP 113 HA TRP 113 -6.957 10.002 9.171 854 1HB TRP 113 1HB TRP 113 -6.368 10.687 11.425 855 2HB TRP 113 2HB TRP 113 -7.939 11.445 11.633 856 HD1 TRP 113 HD1 TRP 113 -9.112 10.035 13.410 857 HE1 TRP 113 HE1 TRP 113 -9.618 7.534 13.748 858 HE3 TRP 113 HE3 TRP 113 -6.462 8.141 9.466 859 HZ2 TRP 113 HZ2 TRP 113 -8.981 5.084 12.493 860 HZ3 TRP 113 HZ3 TRP 113 -6.470 5.711 9.101 861 HH2 TRP 113 HH2 TRP 113 -7.706 4.214 10.579 862 H ALA 114 H ALA 114 -9.474 12.472 9.699 863 HA ALA 114 HA ALA 114 -11.671 10.723 9.652 864 1HB ALA 114 1HB ALA 114 -11.812 13.039 10.438 865 2HB ALA 114 2HB ALA 114 -13.043 12.675 9.228 866 3HB ALA 114 3HB ALA 114 -11.615 13.607 8.780 867 H GLU 115 H GLU 115 -10.234 12.609 6.985 868 HA GLU 115 HA GLU 115 -12.023 11.544 5.045 869 1HB GLU 115 1HB GLU 115 -9.386 12.975 4.725 870 2HB GLU 115 2HB GLU 115 -10.439 12.536 3.394 871 1HG GLU 115 1HG GLU 115 -10.920 14.770 3.782 872 2HG GLU 115 2HG GLU 115 -12.232 13.906 4.586 873 H LEU 116 H LEU 116 -8.988 10.541 6.379 874 HA LEU 116 HA LEU 116 -8.155 8.789 4.340 875 1HB LEU 116 1HB LEU 116 -6.894 9.645 6.423 876 2HB LEU 116 2HB LEU 116 -7.680 8.332 7.277 877 HG LEU 116 HG LEU 116 -5.301 7.927 6.467 878 1HD1 LEU 116 1HD1 LEU 116 -6.729 6.114 7.208 879 2HD1 LEU 116 2HD1 LEU 116 -5.757 5.613 5.825 880 3HD1 LEU 116 3HD1 LEU 116 -7.460 6.016 5.608 881 1HD2 LEU 116 1HD2 LEU 116 -6.720 7.691 3.819 882 2HD2 LEU 116 2HD2 LEU 116 -5.049 7.227 4.139 883 3HD2 LEU 116 3HD2 LEU 116 -5.535 8.920 4.256 884 H ILE 117 H ILE 117 -10.096 8.218 7.278 885 HA ILE 117 HA ILE 117 -10.744 5.524 6.785 886 HB ILE 117 HB ILE 117 -12.517 7.599 8.100 887 1HG1 ILE 117 1HG1 ILE 117 -10.491 5.749 9.376 888 2HG1 ILE 117 2HG1 ILE 117 -10.253 7.474 9.115 889 1HG2 ILE 117 1HG2 ILE 117 -12.472 4.592 8.360 890 2HG2 ILE 117 2HG2 ILE 117 -13.695 5.544 7.515 891 3HG2 ILE 117 3HG2 ILE 117 -13.516 5.690 9.265 892 1HD1 ILE 117 1HD1 ILE 117 -10.889 7.017 11.407 893 2HD1 ILE 117 2HD1 ILE 117 -12.363 6.221 10.858 894 3HD1 ILE 117 3HD1 ILE 117 -12.144 7.949 10.590 895 H ASN 118 H ASN 118 -12.348 8.532 5.889 896 HA ASN 118 HA ASN 118 -14.634 7.615 4.647 897 1HB ASN 118 1HB ASN 118 -14.054 9.993 5.098 898 2HB ASN 118 2HB ASN 118 -12.922 9.946 3.763 899 1HD2 ASN 118 1HD2 ASN 118 -13.660 10.032 1.688 900 2HD2 ASN 118 2HD2 ASN 118 -15.311 10.363 1.274 901 H LEU 119 H LEU 119 -11.589 8.458 3.057 902 HA LEU 119 HA LEU 119 -12.265 7.617 0.488 903 1HB LEU 119 1HB LEU 119 -9.543 7.695 1.779 904 2HB LEU 119 2HB LEU 119 -9.843 7.573 0.059 905 HG LEU 119 HG LEU 119 -10.581 9.914 1.812 906 1HD1 LEU 119 1HD1 LEU 119 -8.453 9.600 -0.299 907 2HD1 LEU 119 2HD1 LEU 119 -8.186 9.740 1.439 908 3HD1 LEU 119 3HD1 LEU 119 -8.860 11.099 0.538 909 1HD2 LEU 119 1HD2 LEU 119 -11.162 11.028 -0.294 910 2HD2 LEU 119 2HD2 LEU 119 -12.180 9.617 0.000 911 3HD2 LEU 119 3HD2 LEU 119 -10.861 9.526 -1.166 912 H MET 120 H MET 120 -10.703 5.820 3.117 913 HA MET 120 HA MET 120 -10.089 3.483 1.702 914 1HB MET 120 1HB MET 120 -9.265 3.914 3.964 915 2HB MET 120 2HB MET 120 -10.898 3.771 4.600 916 1HG MET 120 1HG MET 120 -9.618 1.748 4.995 917 2HG MET 120 2HG MET 120 -10.978 1.440 3.917 918 1HE MET 120 1HE MET 120 -10.004 -0.841 3.072 919 2HE MET 120 2HE MET 120 -8.675 -0.651 4.212 920 3HE MET 120 3HE MET 120 -8.340 -1.060 2.532 921 H ARG 121 H ARG 121 -13.016 4.258 3.591 922 HA ARG 121 HA ARG 121 -14.345 1.880 2.894 923 1HB ARG 121 1HB ARG 121 -15.194 4.491 4.090 924 2HB ARG 121 2HB ARG 121 -16.344 3.224 3.733 925 1HG ARG 121 1HG ARG 121 -14.943 1.675 5.109 926 2HG ARG 121 2HG ARG 121 -14.002 3.083 5.594 927 1HD ARG 121 1HD ARG 121 -15.857 4.050 6.710 928 2HD ARG 121 2HD ARG 121 -16.979 2.891 5.989 929 HE ARG 121 HE ARG 121 -14.866 1.752 7.625 930 1HH1 ARG 121 1HH1 ARG 121 -18.172 2.950 7.569 931 2HH1 ARG 121 2HH1 ARG 121 -18.667 1.978 8.923 932 1HH2 ARG 121 1HH2 ARG 121 -15.513 0.467 9.320 933 2HH2 ARG 121 2HH2 ARG 121 -17.165 0.506 9.885 934 H GLY 122 H GLY 122 -14.184 5.065 1.461 935 1HA GLY 122 1HA GLY 122 -16.218 4.828 -0.450 936 2HA GLY 122 2HA GLY 122 -14.772 5.809 -0.617 937 H LEU 123 H LEU 123 -12.993 3.459 -0.368 938 HA LEU 123 HA LEU 123 -13.215 2.593 -3.145 939 1HB LEU 123 1HB LEU 123 -10.971 2.361 -1.146 940 2HB LEU 123 2HB LEU 123 -10.894 1.774 -2.794 941 HG LEU 123 HG LEU 123 -11.248 4.663 -1.992 942 1HD1 LEU 123 1HD1 LEU 123 -9.030 3.865 -1.446 943 2HD1 LEU 123 2HD1 LEU 123 -8.961 4.926 -2.852 944 3HD1 LEU 123 3HD1 LEU 123 -8.852 3.178 -3.059 945 1HD2 LEU 123 1HD2 LEU 123 -10.850 3.386 -4.697 946 2HD2 LEU 123 2HD2 LEU 123 -10.855 5.118 -4.374 947 3HD2 LEU 123 3HD2 LEU 123 -12.319 4.169 -4.119 948 H VAL 124 H VAL 124 -12.875 1.172 0.104 949 HA VAL 124 HA VAL 124 -12.605 -1.486 -0.885 950 HB VAL 124 HB VAL 124 -11.738 -0.633 1.331 951 1HG1 VAL 124 1HG1 VAL 124 -14.579 -1.115 2.202 952 2HG1 VAL 124 2HG1 VAL 124 -13.776 0.446 2.102 953 3HG1 VAL 124 3HG1 VAL 124 -13.216 -0.756 3.262 954 1HG2 VAL 124 1HG2 VAL 124 -12.046 -2.796 2.455 955 2HG2 VAL 124 2HG2 VAL 124 -11.688 -2.989 0.738 956 3HG2 VAL 124 3HG2 VAL 124 -13.340 -3.186 1.323 957 H GLU 125 H GLU 125 -15.379 0.458 -0.059 958 HA GLU 125 HA GLU 125 -17.146 -1.719 0.391 959 1HB GLU 125 1HB GLU 125 -17.534 0.659 1.135 960 2HB GLU 125 2HB GLU 125 -17.972 1.032 -0.524 961 1HG GLU 125 1HG GLU 125 -19.440 -1.253 0.272 962 2HG GLU 125 2HG GLU 125 -19.584 -0.035 1.537 963 HA PRO 126 HA PRO 126 -18.448 -1.338 -4.231 964 1HB PRO 126 1HB PRO 126 -16.476 0.344 -5.574 965 2HB PRO 126 2HB PRO 126 -18.234 0.497 -5.555 966 1HG PRO 126 1HG PRO 126 -16.607 2.260 -4.311 967 2HG PRO 126 2HG PRO 126 -18.224 1.861 -3.702 968 1HD PRO 126 1HD PRO 126 -15.553 0.837 -2.798 969 2HD PRO 126 2HD PRO 126 -16.938 1.370 -1.827 970 H GLN 127 H GLN 127 -17.723 -2.678 -5.973 971 HA GLN 127 HA GLN 127 -15.331 -4.145 -5.251 972 1HB GLN 127 1HB GLN 127 -17.599 -4.707 -7.142 973 2HB GLN 127 2HB GLN 127 -16.230 -5.770 -6.918 974 1HG GLN 127 1HG GLN 127 -16.822 -5.963 -4.528 975 2HG GLN 127 2HG GLN 127 -18.257 -4.992 -4.851 976 1HE2 GLN 127 1HE2 GLN 127 -18.093 -7.709 -3.861 977 2HE2 GLN 127 2HE2 GLN 127 -18.954 -8.693 -4.993 978 H GLN 128 H GLN 128 -15.902 -1.624 -7.185 979 HA GLN 128 HA GLN 128 -15.051 -0.708 -9.078 980 1HB GLN 128 1HB GLN 128 -12.784 -2.604 -8.432 981 2HB GLN 128 2HB GLN 128 -12.706 -1.352 -9.659 982 1HG GLN 128 1HG GLN 128 -13.171 -0.862 -6.730 983 2HG GLN 128 2HG GLN 128 -11.619 -0.709 -7.551 984 1HE2 GLN 128 1HE2 GLN 128 -14.747 0.674 -7.057 985 2HE2 GLN 128 2HE2 GLN 128 -14.441 2.187 -7.837 986 H GLU 129 H GLU 129 -16.939 -2.347 -9.619 987 HA GLU 129 HA GLU 129 -16.131 -4.608 -11.226 988 1HB GLU 129 1HB GLU 129 -18.105 -4.625 -9.687 989 2HB GLU 129 2HB GLU 129 -18.900 -3.493 -10.773 990 1HG GLU 129 1HG GLU 129 -18.606 -5.229 -12.585 991 2HG GLU 129 2HG GLU 129 -18.131 -6.346 -11.304 992 H ARG 130 H ARG 130 -15.136 -3.837 -13.048 993 HA ARG 130 HA ARG 130 -16.856 -3.102 -15.179 994 1HB ARG 130 1HB ARG 130 -16.586 -0.874 -14.150 995 2HB ARG 130 2HB ARG 130 -14.843 -1.022 -14.323 996 1HG ARG 130 1HG ARG 130 -15.033 -1.034 -16.724 997 2HG ARG 130 2HG ARG 130 -16.793 -1.043 -16.617 998 1HD ARG 130 1HD ARG 130 -16.107 1.183 -17.117 999 2HD ARG 130 2HD ARG 130 -16.657 1.153 -15.445 1000 HE ARG 130 HE ARG 130 -14.212 1.040 -14.855 1001 1HH1 ARG 130 1HH1 ARG 130 -15.336 2.467 -17.847 1002 2HH1 ARG 130 2HH1 ARG 130 -13.987 3.547 -18.002 1003 1HH2 ARG 130 1HH2 ARG 130 -12.425 2.503 -15.037 1004 2HH2 ARG 130 2HH2 ARG 130 -12.349 3.577 -16.407 1005 H ALA 131 H ALA 131 -13.618 -3.408 -13.967 1006 HA ALA 131 HA ALA 131 -12.767 -4.432 -16.584 1007 1HB ALA 131 1HB ALA 131 -10.640 -3.272 -16.378 1008 2HB ALA 131 2HB ALA 131 -11.158 -2.567 -14.846 1009 3HB ALA 131 3HB ALA 131 -11.980 -2.124 -16.342 1010 H SER 132 H SER 132 -10.803 -5.726 -16.494 1011 HA SER 132 HA SER 132 -10.026 -6.797 -13.917 1012 1HB SER 132 1HB SER 132 -11.848 -8.298 -14.496 1013 2HB SER 132 2HB SER 132 -11.183 -8.543 -16.108 1014 HG SER 132 HG SER 132 -10.739 -10.187 -14.377 Start of MODEL 7 1 1H MET 1 1H MET 1 19.464 5.319 -11.633 2 HA MET 1 HA MET 1 17.849 6.785 -9.821 3 1HB MET 1 1HB MET 1 16.928 4.441 -9.430 4 2HB MET 1 2HB MET 1 18.499 4.022 -8.767 5 1HG MET 1 1HG MET 1 16.868 4.547 -7.027 6 2HG MET 1 2HG MET 1 18.233 5.664 -7.012 7 1HE MET 1 1HE MET 1 16.748 7.258 -5.428 8 2HE MET 1 2HE MET 1 15.386 6.146 -5.546 9 3HE MET 1 3HE MET 1 15.154 7.862 -5.883 10 H SER 2 H SER 2 19.164 7.030 -7.615 11 HA SER 2 HA SER 2 22.020 6.701 -8.156 12 1HB SER 2 1HB SER 2 21.258 8.954 -8.980 13 2HB SER 2 2HB SER 2 20.832 9.353 -7.317 14 HG SER 2 HG SER 2 22.841 9.998 -7.233 15 H ASN 3 H ASN 3 22.585 5.462 -6.508 16 HA ASN 3 HA ASN 3 23.380 4.981 -4.448 17 1HB ASN 3 1HB ASN 3 23.911 7.415 -4.329 18 2HB ASN 3 2HB ASN 3 22.343 7.680 -3.572 19 1HD2 ASN 3 1HD2 ASN 3 23.188 8.431 -1.657 20 2HD2 ASN 3 2HD2 ASN 3 24.011 7.409 -0.531 21 H ASP 4 H ASP 4 22.706 3.949 -2.614 22 HA ASP 4 HA ASP 4 19.833 3.640 -2.321 23 1HB ASP 4 1HB ASP 4 20.427 1.811 -0.736 24 2HB ASP 4 2HB ASP 4 21.095 1.588 -2.346 25 H THR 5 H THR 5 18.800 4.978 -1.076 26 HA THR 5 HA THR 5 19.606 5.470 1.621 27 HB THR 5 HB THR 5 19.497 7.849 -0.249 28 HG1 THR 5 HG1 THR 5 21.535 6.283 0.478 29 1HG2 THR 5 1HG2 THR 5 18.494 8.360 1.906 30 2HG2 THR 5 2HG2 THR 5 20.057 9.165 1.750 31 3HG2 THR 5 3HG2 THR 5 19.909 7.709 2.735 32 HA PRO 6 HA PRO 6 15.407 7.748 0.950 33 1HB PRO 6 1HB PRO 6 14.175 7.371 -1.489 34 2HB PRO 6 2HB PRO 6 15.119 8.796 -1.048 35 1HG PRO 6 1HG PRO 6 15.933 6.395 -2.628 36 2HG PRO 6 2HG PRO 6 16.320 8.103 -2.903 37 1HD PRO 6 1HD PRO 6 18.096 6.419 -1.808 38 2HD PRO 6 2HD PRO 6 17.985 8.113 -1.290 39 H PHE 7 H PHE 7 14.862 5.212 -1.498 40 HA PHE 7 HA PHE 7 12.685 4.137 -0.067 41 1HB PHE 7 1HB PHE 7 13.079 3.876 -2.545 42 2HB PHE 7 2HB PHE 7 14.314 2.680 -2.159 43 HD1 PHE 7 HD1 PHE 7 13.696 0.504 -1.254 44 HD2 PHE 7 HD2 PHE 7 10.738 3.390 -2.250 45 HE1 PHE 7 HE1 PHE 7 11.962 -1.238 -1.131 46 HE2 PHE 7 HE2 PHE 7 8.998 1.656 -2.131 47 HZ PHE 7 HZ PHE 7 9.611 -0.659 -1.569 48 H ASP 8 H ASP 8 16.091 3.407 -0.130 49 HA ASP 8 HA ASP 8 16.165 0.934 1.139 50 1HB ASP 8 1HB ASP 8 18.080 2.353 0.164 51 2HB ASP 8 2HB ASP 8 18.120 3.146 1.726 52 H ALA 9 H ALA 9 16.332 4.172 2.568 53 HA ALA 9 HA ALA 9 16.274 3.282 5.257 54 1HB ALA 9 1HB ALA 9 17.056 5.510 4.619 55 2HB ALA 9 2HB ALA 9 15.787 5.593 5.841 56 3HB ALA 9 3HB ALA 9 15.411 5.949 4.156 57 H LEU 10 H LEU 10 13.707 4.342 3.060 58 HA LEU 10 HA LEU 10 11.607 4.311 4.918 59 1HB LEU 10 1HB LEU 10 11.893 4.435 2.000 60 2HB LEU 10 2HB LEU 10 10.380 3.744 2.552 61 HG LEU 10 HG LEU 10 10.207 6.168 2.120 62 1HD1 LEU 10 1HD1 LEU 10 8.735 5.113 3.755 63 2HD1 LEU 10 2HD1 LEU 10 9.124 6.769 4.224 64 3HD1 LEU 10 3HD1 LEU 10 9.920 5.413 5.024 65 1HD2 LEU 10 1HD2 LEU 10 11.316 7.747 3.638 66 2HD2 LEU 10 2HD2 LEU 10 12.482 6.827 2.688 67 3HD2 LEU 10 3HD2 LEU 10 12.197 6.411 4.378 68 H TRP 11 H TRP 11 12.893 1.783 2.805 69 HA TRP 11 HA TRP 11 10.900 -0.131 3.383 70 1HB TRP 11 1HB TRP 11 12.746 -0.127 1.527 71 2HB TRP 11 2HB TRP 11 13.725 -0.924 2.754 72 HD1 TRP 11 HD1 TRP 11 10.039 -1.761 2.705 73 HE1 TRP 11 HE1 TRP 11 9.707 -4.150 1.825 74 HE3 TRP 11 HE3 TRP 11 14.802 -2.707 1.115 75 HZ2 TRP 11 HZ2 TRP 11 11.247 -6.166 0.612 76 HZ3 TRP 11 HZ3 TRP 11 15.286 -4.898 0.107 77 HH2 TRP 11 HH2 TRP 11 13.539 -6.592 -0.138 78 H GLN 12 H GLN 12 14.095 0.512 4.772 79 HA GLN 12 HA GLN 12 14.082 -1.442 6.759 80 1HB GLN 12 1HB GLN 12 15.431 1.187 6.392 81 2HB GLN 12 2HB GLN 12 15.497 0.441 7.980 82 1HG GLN 12 1HG GLN 12 16.365 -0.875 5.420 83 2HG GLN 12 2HG GLN 12 17.445 -0.094 6.576 84 1HE2 GLN 12 1HE2 GLN 12 15.941 -1.012 8.893 85 2HE2 GLN 12 2HE2 GLN 12 16.282 -2.704 9.050 86 H ARG 13 H ARG 13 12.693 1.812 6.753 87 HA ARG 13 HA ARG 13 11.841 1.861 9.429 88 1HB ARG 13 1HB ARG 13 10.627 3.175 6.995 89 2HB ARG 13 2HB ARG 13 10.169 3.536 8.649 90 1HG ARG 13 1HG ARG 13 12.812 4.048 7.319 91 2HG ARG 13 2HG ARG 13 11.661 5.232 7.938 92 1HD ARG 13 1HD ARG 13 12.055 4.375 10.219 93 2HD ARG 13 2HD ARG 13 13.262 3.264 9.572 94 HE ARG 13 HE ARG 13 13.491 6.181 9.783 95 1HH1 ARG 13 1HH1 ARG 13 14.924 3.111 8.882 96 2HH1 ARG 13 2HH1 ARG 13 16.547 3.721 8.858 97 1HH2 ARG 13 1HH2 ARG 13 15.619 6.987 9.781 98 2HH2 ARG 13 2HH2 ARG 13 16.951 5.934 9.386 99 H MET 14 H MET 14 10.062 0.976 6.493 100 HA MET 14 HA MET 14 7.715 0.126 7.769 101 1HB MET 14 1HB MET 14 8.900 -0.689 5.111 102 2HB MET 14 2HB MET 14 7.275 -1.106 5.638 103 1HG MET 14 1HG MET 14 6.770 1.311 5.830 104 2HG MET 14 2HG MET 14 8.363 1.659 5.160 105 1HE MET 14 1HE MET 14 8.758 -0.537 2.963 106 2HE MET 14 2HE MET 14 9.067 1.171 2.653 107 3HE MET 14 3HE MET 14 8.072 0.237 1.534 108 H LEU 15 H LEU 15 10.719 -1.554 7.073 109 HA LEU 15 HA LEU 15 9.842 -4.151 7.781 110 1HB LEU 15 1HB LEU 15 12.388 -2.813 7.255 111 2HB LEU 15 2HB LEU 15 12.514 -4.070 8.469 112 HG LEU 15 HG LEU 15 13.037 -4.862 6.186 113 1HD1 LEU 15 1HD1 LEU 15 10.577 -6.067 7.444 114 2HD1 LEU 15 2HD1 LEU 15 12.253 -6.441 7.848 115 3HD1 LEU 15 3HD1 LEU 15 11.615 -6.860 6.259 116 1HD2 LEU 15 1HD2 LEU 15 10.131 -4.285 5.646 117 2HD2 LEU 15 2HD2 LEU 15 11.228 -5.151 4.573 118 3HD2 LEU 15 3HD2 LEU 15 11.509 -3.448 4.932 119 H ALA 16 H ALA 16 11.249 -1.502 9.648 120 HA ALA 16 HA ALA 16 11.393 -2.881 12.114 121 1HB ALA 16 1HB ALA 16 12.648 -0.834 11.699 122 2HB ALA 16 2HB ALA 16 11.624 -0.663 13.126 123 3HB ALA 16 3HB ALA 16 11.144 0.083 11.601 124 H ARG 17 H ARG 17 8.771 -1.459 10.387 125 HA ARG 17 HA ARG 17 6.973 -1.154 12.577 126 1HB ARG 17 1HB ARG 17 6.362 -1.586 9.652 127 2HB ARG 17 2HB ARG 17 5.220 -1.039 10.867 128 1HG ARG 17 1HG ARG 17 7.673 0.440 9.949 129 2HG ARG 17 2HG ARG 17 6.007 0.789 9.489 130 1HD ARG 17 1HD ARG 17 6.209 2.283 11.164 131 2HD ARG 17 2HD ARG 17 5.712 0.896 12.124 132 HE ARG 17 HE ARG 17 8.530 0.978 11.914 133 1HH1 ARG 17 1HH1 ARG 17 5.829 2.499 13.527 134 2HH1 ARG 17 2HH1 ARG 17 6.784 3.150 14.824 135 1HH2 ARG 17 1HH2 ARG 17 9.813 1.823 13.631 136 2HH2 ARG 17 2HH2 ARG 17 9.052 2.764 14.880 137 H GLY 18 H GLY 18 7.854 -3.784 10.446 138 1HA GLY 18 1HA GLY 18 7.651 -6.055 11.184 139 2HA GLY 18 2HA GLY 18 6.239 -5.586 12.114 140 H TRP 19 H TRP 19 6.901 -4.791 8.731 141 HA TRP 19 HA TRP 19 4.476 -6.254 8.008 142 1HB TRP 19 1HB TRP 19 5.971 -4.054 6.571 143 2HB TRP 19 2HB TRP 19 4.605 -4.924 5.879 144 HD1 TRP 19 HD1 TRP 19 2.990 -4.956 8.773 145 HE1 TRP 19 HE1 TRP 19 1.754 -2.803 9.441 146 HE3 TRP 19 HE3 TRP 19 5.482 -1.639 5.787 147 HZ2 TRP 19 HZ2 TRP 19 1.830 -0.053 8.789 148 HZ3 TRP 19 HZ3 TRP 19 4.839 0.732 5.869 149 HH2 TRP 19 HH2 TRP 19 3.049 1.508 7.338 150 H THR 20 H THR 20 4.655 -7.023 5.567 151 HA THR 20 HA THR 20 6.883 -8.922 5.669 152 HB THR 20 HB THR 20 4.300 -9.136 4.115 153 HG1 THR 20 HG1 THR 20 5.078 -10.033 6.699 154 1HG2 THR 20 1HG2 THR 20 4.895 -11.511 3.934 155 2HG2 THR 20 2HG2 THR 20 6.409 -11.197 4.782 156 3HG2 THR 20 3HG2 THR 20 6.128 -10.489 3.192 157 HA PRO 21 HA PRO 21 8.416 -6.922 1.925 158 1HB PRO 21 1HB PRO 21 10.783 -8.516 2.239 159 2HB PRO 21 2HB PRO 21 10.587 -6.786 2.527 160 1HG PRO 21 1HG PRO 21 11.074 -8.646 4.498 161 2HG PRO 21 2HG PRO 21 10.310 -7.072 4.769 162 1HD PRO 21 1HD PRO 21 9.052 -9.771 4.503 163 2HD PRO 21 2HD PRO 21 8.628 -8.427 5.587 164 H VAL 22 H VAL 22 7.952 -7.639 -0.051 165 HA VAL 22 HA VAL 22 8.393 -10.470 -0.695 166 HB VAL 22 HB VAL 22 6.007 -10.197 -0.146 167 1HG1 VAL 22 1HG1 VAL 22 5.709 -7.863 -0.686 168 2HG1 VAL 22 2HG1 VAL 22 4.551 -8.840 -1.588 169 3HG1 VAL 22 3HG1 VAL 22 5.980 -8.194 -2.397 170 1HG2 VAL 22 1HG2 VAL 22 5.064 -11.133 -2.212 171 2HG2 VAL 22 2HG2 VAL 22 6.612 -11.865 -1.793 172 3HG2 VAL 22 3HG2 VAL 22 6.528 -10.660 -3.079 173 H SER 23 H SER 23 9.042 -10.848 -2.787 174 HA SER 23 HA SER 23 9.793 -8.459 -4.294 175 1HB SER 23 1HB SER 23 10.710 -11.332 -4.538 176 2HB SER 23 2HB SER 23 11.307 -9.996 -5.528 177 HG SER 23 HG SER 23 11.784 -8.984 -3.365 178 H GLU 24 H GLU 24 9.802 -8.734 -6.708 179 HA GLU 24 HA GLU 24 7.212 -8.682 -7.631 180 1HB GLU 24 1HB GLU 24 8.827 -7.510 -8.853 181 2HB GLU 24 2HB GLU 24 9.874 -8.910 -8.997 182 1HG GLU 24 1HG GLU 24 7.251 -9.180 -10.285 183 2HG GLU 24 2HG GLU 24 8.310 -7.952 -10.973 184 H SER 25 H SER 25 9.563 -11.325 -8.066 185 HA SER 25 HA SER 25 7.719 -12.889 -9.586 186 1HB SER 25 1HB SER 25 10.340 -13.672 -8.299 187 2HB SER 25 2HB SER 25 9.476 -14.585 -9.538 188 HG SER 25 HG SER 25 9.687 -12.188 -10.534 189 H ARG 26 H ARG 26 7.871 -12.258 -6.349 190 HA ARG 26 HA ARG 26 6.864 -14.905 -5.561 191 1HB ARG 26 1HB ARG 26 8.829 -14.035 -4.311 192 2HB ARG 26 2HB ARG 26 7.867 -12.650 -3.813 193 1HG ARG 26 1HG ARG 26 7.857 -14.127 -1.989 194 2HG ARG 26 2HG ARG 26 6.276 -14.303 -2.753 195 1HD ARG 26 1HD ARG 26 7.217 -16.276 -3.996 196 2HD ARG 26 2HD ARG 26 8.641 -16.156 -2.961 197 HE ARG 26 HE ARG 26 5.942 -16.943 -2.143 198 1HH1 ARG 26 1HH1 ARG 26 9.290 -16.348 -1.249 199 2HH1 ARG 26 2HH1 ARG 26 9.174 -17.265 0.228 200 1HH2 ARG 26 1HH2 ARG 26 5.809 -18.149 -0.228 201 2HH2 ARG 26 2HH2 ARG 26 7.216 -18.318 0.784 202 H LEU 27 H LEU 27 6.025 -11.650 -6.081 203 HA LEU 27 HA LEU 27 3.978 -11.200 -4.257 204 1HB LEU 27 1HB LEU 27 5.072 -9.580 -5.890 205 2HB LEU 27 2HB LEU 27 4.001 -10.226 -7.113 206 HG LEU 27 HG LEU 27 3.319 -8.032 -6.051 207 1HD1 LEU 27 1HD1 LEU 27 1.353 -10.309 -5.883 208 2HD1 LEU 27 2HD1 LEU 27 1.749 -9.386 -7.333 209 3HD1 LEU 27 3HD1 LEU 27 0.952 -8.592 -5.976 210 1HD2 LEU 27 1HD2 LEU 27 3.890 -8.589 -3.744 211 2HD2 LEU 27 2HD2 LEU 27 2.631 -9.823 -3.729 212 3HD2 LEU 27 3HD2 LEU 27 2.196 -8.122 -3.896 213 H ASP 28 H ASP 28 3.914 -12.813 -7.396 214 HA ASP 28 HA ASP 28 1.078 -13.040 -7.544 215 1HB ASP 28 1HB ASP 28 2.517 -13.196 -9.536 216 2HB ASP 28 2HB ASP 28 3.220 -14.686 -8.915 217 H ASP 29 H ASP 29 3.633 -15.258 -6.572 218 HA ASP 29 HA ASP 29 2.083 -17.509 -5.962 219 1HB ASP 29 1HB ASP 29 4.612 -17.320 -6.124 220 2HB ASP 29 2HB ASP 29 4.582 -16.634 -4.513 221 H TRP 30 H TRP 30 3.382 -15.003 -3.873 222 HA TRP 30 HA TRP 30 2.189 -15.792 -1.478 223 1HB TRP 30 1HB TRP 30 3.981 -13.956 -1.996 224 2HB TRP 30 2HB TRP 30 2.588 -12.886 -2.124 225 HD1 TRP 30 HD1 TRP 30 1.027 -12.728 0.200 226 HE1 TRP 30 HE1 TRP 30 1.792 -12.805 2.658 227 HE3 TRP 30 HE3 TRP 30 5.627 -14.874 -0.447 228 HZ2 TRP 30 HZ2 TRP 30 4.039 -13.669 4.123 229 HZ3 TRP 30 HZ3 TRP 30 7.020 -15.295 1.539 230 HH2 TRP 30 HH2 TRP 30 6.239 -14.702 3.776 231 H LEU 31 H LEU 31 0.983 -13.615 -4.007 232 HA LEU 31 HA LEU 31 -1.312 -12.736 -2.632 233 1HB LEU 31 1HB LEU 31 -0.317 -11.644 -4.634 234 2HB LEU 31 2HB LEU 31 -0.915 -12.969 -5.611 235 HG LEU 31 HG LEU 31 -3.231 -12.360 -4.998 236 1HD1 LEU 31 1HD1 LEU 31 -3.649 -10.196 -3.922 237 2HD1 LEU 31 2HD1 LEU 31 -1.917 -10.007 -3.645 238 3HD1 LEU 31 3HD1 LEU 31 -2.802 -11.311 -2.851 239 1HD2 LEU 31 1HD2 LEU 31 -3.351 -10.337 -6.362 240 2HD2 LEU 31 2HD2 LEU 31 -2.242 -11.514 -7.062 241 3HD2 LEU 31 3HD2 LEU 31 -1.610 -10.116 -6.196 242 H THR 32 H THR 32 -0.788 -15.490 -4.806 243 HA THR 32 HA THR 32 -3.554 -16.121 -5.015 244 HB THR 32 HB THR 32 -1.670 -16.854 -6.619 245 HG1 THR 32 HG1 THR 32 -3.718 -18.642 -5.731 246 1HG2 THR 32 1HG2 THR 32 -0.743 -19.080 -6.210 247 2HG2 THR 32 2HG2 THR 32 -1.498 -19.106 -4.616 248 3HG2 THR 32 3HG2 THR 32 -0.222 -17.940 -4.971 249 H GLN 33 H GLN 33 -1.073 -16.890 -2.690 250 HA GLN 33 HA GLN 33 -2.695 -18.913 -1.399 251 1HB GLN 33 1HB GLN 33 -0.061 -17.634 -0.699 252 2HB GLN 33 2HB GLN 33 -0.867 -18.789 0.348 253 1HG GLN 33 1HG GLN 33 -0.811 -20.424 -1.522 254 2HG GLN 33 2HG GLN 33 0.157 -19.265 -2.434 255 1HE2 GLN 33 1HE2 GLN 33 0.078 -21.406 0.304 256 2HE2 GLN 33 2HE2 GLN 33 1.793 -21.433 0.583 257 H ALA 34 H ALA 34 -1.712 -15.568 -0.830 258 HA ALA 34 HA ALA 34 -2.844 -15.346 1.755 259 1HB ALA 34 1HB ALA 34 -2.510 -12.950 1.508 260 2HB ALA 34 2HB ALA 34 -2.246 -13.153 -0.226 261 3HB ALA 34 3HB ALA 34 -1.096 -13.832 0.927 262 HA PRO 35 HA PRO 35 -7.171 -15.049 0.803 263 1HB PRO 35 1HB PRO 35 -7.298 -13.545 3.349 264 2HB PRO 35 2HB PRO 35 -8.134 -15.029 2.878 265 1HG PRO 35 1HG PRO 35 -6.121 -15.093 4.630 266 2HG PRO 35 2HG PRO 35 -6.321 -16.375 3.420 267 1HD PRO 35 1HD PRO 35 -4.431 -14.052 3.421 268 2HD PRO 35 2HD PRO 35 -4.137 -15.745 2.966 269 H ASP 36 H ASP 36 -5.543 -12.177 2.167 270 HA ASP 36 HA ASP 36 -6.504 -10.507 0.041 271 1HB ASP 36 1HB ASP 36 -8.310 -10.764 2.055 272 2HB ASP 36 2HB ASP 36 -7.345 -9.423 2.667 273 H GLY 37 H GLY 37 -5.903 -8.072 0.718 274 1HA GLY 37 1HA GLY 37 -4.131 -7.336 2.603 275 2HA GLY 37 2HA GLY 37 -3.111 -8.246 1.501 276 H VAL 38 H VAL 38 -2.190 -5.920 1.722 277 HA VAL 38 HA VAL 38 -3.027 -4.442 -0.665 278 HB VAL 38 HB VAL 38 -2.662 -2.271 0.524 279 1HG1 VAL 38 1HG1 VAL 38 -4.925 -3.085 0.132 280 2HG1 VAL 38 2HG1 VAL 38 -4.827 -2.230 1.671 281 3HG1 VAL 38 3HG1 VAL 38 -4.876 -3.992 1.643 282 1HG2 VAL 38 1HG2 VAL 38 -1.317 -3.099 2.386 283 2HG2 VAL 38 2HG2 VAL 38 -2.705 -4.000 3.001 284 3HG2 VAL 38 3HG2 VAL 38 -2.742 -2.236 2.975 285 H VAL 39 H VAL 39 -1.324 -3.019 -1.498 286 HA VAL 39 HA VAL 39 1.378 -3.823 -0.621 287 HB VAL 39 HB VAL 39 0.477 -3.597 -3.504 288 1HG1 VAL 39 1HG1 VAL 39 3.112 -4.470 -2.314 289 2HG1 VAL 39 2HG1 VAL 39 2.814 -2.976 -3.203 290 3HG1 VAL 39 3HG1 VAL 39 2.695 -4.531 -4.027 291 1HG2 VAL 39 1HG2 VAL 39 0.772 -6.020 -3.620 292 2HG2 VAL 39 2HG2 VAL 39 -0.461 -5.590 -2.433 293 3HG2 VAL 39 3HG2 VAL 39 1.153 -6.063 -1.900 294 H LEU 40 H LEU 40 2.970 -2.236 -0.786 295 HA LEU 40 HA LEU 40 1.968 0.467 -1.321 296 1HB LEU 40 1HB LEU 40 4.361 -0.541 0.206 297 2HB LEU 40 2HB LEU 40 4.176 1.146 -0.229 298 HG LEU 40 HG LEU 40 1.959 1.085 1.020 299 1HD1 LEU 40 1HD1 LEU 40 1.675 -1.329 1.128 300 2HD1 LEU 40 2HD1 LEU 40 1.713 -0.622 2.742 301 3HD1 LEU 40 3HD1 LEU 40 3.130 -1.463 2.117 302 1HD2 LEU 40 1HD2 LEU 40 3.038 1.399 3.189 303 2HD2 LEU 40 2HD2 LEU 40 3.931 2.195 1.892 304 3HD2 LEU 40 3HD2 LEU 40 4.514 0.669 2.559 305 H LEU 41 H LEU 41 3.020 1.877 -2.743 306 HA LEU 41 HA LEU 41 4.722 0.491 -4.706 307 1HB LEU 41 1HB LEU 41 2.483 0.990 -5.541 308 2HB LEU 41 2HB LEU 41 2.687 2.679 -5.123 309 HG LEU 41 HG LEU 41 4.505 2.845 -6.803 310 1HD1 LEU 41 1HD1 LEU 41 3.672 0.034 -7.503 311 2HD1 LEU 41 2HD1 LEU 41 5.221 0.526 -6.820 312 3HD1 LEU 41 3HD1 LEU 41 4.768 1.048 -8.443 313 1HD2 LEU 41 1HD2 LEU 41 2.217 3.482 -7.374 314 2HD2 LEU 41 2HD2 LEU 41 1.869 1.824 -7.863 315 3HD2 LEU 41 3HD2 LEU 41 3.045 2.781 -8.763 316 H SER 42 H SER 42 6.701 1.135 -3.935 317 HA SER 42 HA SER 42 8.571 2.397 -3.886 318 1HB SER 42 1HB SER 42 6.968 4.204 -5.708 319 2HB SER 42 2HB SER 42 8.720 4.251 -5.494 320 HG SER 42 HG SER 42 8.134 3.000 -7.332 321 H SER 43 H SER 43 9.074 5.130 -3.831 322 HA SER 43 HA SER 43 7.563 6.104 -1.520 323 1HB SER 43 1HB SER 43 9.699 6.704 -0.390 324 2HB SER 43 2HB SER 43 9.501 4.963 -0.590 325 HG SER 43 HG SER 43 11.146 6.727 -2.078 326 H ASP 44 H ASP 44 8.411 8.396 -0.945 327 HA ASP 44 HA ASP 44 8.010 10.074 -3.203 328 1HB ASP 44 1HB ASP 44 7.308 10.541 -0.821 329 2HB ASP 44 2HB ASP 44 8.997 10.845 -0.445 330 HA PRO 45 HA PRO 45 12.153 10.356 -4.681 331 1HB PRO 45 1HB PRO 45 11.519 13.005 -5.765 332 2HB PRO 45 2HB PRO 45 11.856 11.496 -6.619 333 1HG PRO 45 1HG PRO 45 9.395 12.582 -6.562 334 2HG PRO 45 2HG PRO 45 9.650 10.827 -6.577 335 1HD PRO 45 1HD PRO 45 9.013 12.631 -4.265 336 2HD PRO 45 2HD PRO 45 8.335 11.038 -4.671 337 H LYS 46 H LYS 46 13.786 12.388 -5.148 338 HA LYS 46 HA LYS 46 14.726 12.979 -2.486 339 1HB LYS 46 1HB LYS 46 16.190 12.230 -4.374 340 2HB LYS 46 2HB LYS 46 15.903 13.775 -5.145 341 1HG LYS 46 1HG LYS 46 16.891 14.894 -3.164 342 2HG LYS 46 2HG LYS 46 17.293 13.297 -2.525 343 1HD LYS 46 1HD LYS 46 18.678 12.849 -4.479 344 2HD LYS 46 2HD LYS 46 18.252 14.420 -5.163 345 1HE LYS 46 1HE LYS 46 19.290 15.516 -3.212 346 2HE LYS 46 2HE LYS 46 19.758 13.933 -2.593 347 1HZ LYS 46 1HZ LYS 46 21.618 14.875 -3.717 348 2HZ LYS 46 2HZ LYS 46 20.701 15.228 -5.096 349 3HZ LYS 46 3HZ LYS 46 21.029 13.616 -4.691 350 H ARG 47 H ARG 47 13.545 14.729 -5.262 351 HA ARG 47 HA ARG 47 14.178 17.329 -4.323 352 1HB ARG 47 1HB ARG 47 12.230 16.406 -6.435 353 2HB ARG 47 2HB ARG 47 12.643 18.090 -6.142 354 1HG ARG 47 1HG ARG 47 14.932 17.694 -6.756 355 2HG ARG 47 2HG ARG 47 14.635 15.959 -6.894 356 1HD ARG 47 1HD ARG 47 13.076 16.371 -8.731 357 2HD ARG 47 2HD ARG 47 13.359 18.104 -8.589 358 HE ARG 47 HE ARG 47 15.738 17.553 -9.172 359 1HH1 ARG 47 1HH1 ARG 47 13.117 15.438 -10.133 360 2HH1 ARG 47 2HH1 ARG 47 13.914 14.902 -11.587 361 1HH2 ARG 47 1HH2 ARG 47 16.789 16.866 -11.063 362 2HH2 ARG 47 2HH2 ARG 47 16.006 15.718 -12.114 363 H THR 48 H THR 48 11.905 15.234 -3.125 364 HA THR 48 HA THR 48 10.250 17.481 -2.187 365 HB THR 48 HB THR 48 9.250 14.654 -2.578 366 HG1 THR 48 HG1 THR 48 9.695 16.643 -4.396 367 1HG2 THR 48 1HG2 THR 48 7.787 17.275 -2.204 368 2HG2 THR 48 2HG2 THR 48 7.996 16.036 -0.965 369 3HG2 THR 48 3HG2 THR 48 7.044 15.688 -2.409 370 HA PRO 49 HA PRO 49 11.604 15.846 1.744 371 1HB PRO 49 1HB PRO 49 10.836 17.889 3.262 372 2HB PRO 49 2HB PRO 49 12.122 18.088 2.064 373 1HG PRO 49 1HG PRO 49 9.273 18.958 1.957 374 2HG PRO 49 2HG PRO 49 10.718 19.762 1.322 375 1HD PRO 49 1HD PRO 49 8.906 18.174 -0.132 376 2HD PRO 49 2HD PRO 49 10.500 18.724 -0.682 377 H GLU 50 H GLU 50 9.161 14.707 0.786 378 HA GLU 50 HA GLU 50 7.654 14.523 3.308 379 1HB GLU 50 1HB GLU 50 6.472 14.811 0.531 380 2HB GLU 50 2HB GLU 50 5.545 14.407 1.971 381 1HG GLU 50 1HG GLU 50 6.090 16.528 2.973 382 2HG GLU 50 2HG GLU 50 7.148 16.928 1.623 383 H VAL 51 H VAL 51 9.651 12.869 2.592 384 HA VAL 51 HA VAL 51 8.826 10.710 0.908 385 HB VAL 51 HB VAL 51 11.215 10.758 2.743 386 1HG1 VAL 51 1HG1 VAL 51 10.706 8.597 1.734 387 2HG1 VAL 51 2HG1 VAL 51 12.203 9.264 1.082 388 3HG1 VAL 51 3HG1 VAL 51 10.718 9.333 0.130 389 1HG2 VAL 51 1HG2 VAL 51 11.239 12.811 1.453 390 2HG2 VAL 51 2HG2 VAL 51 10.982 11.906 -0.038 391 3HG2 VAL 51 3HG2 VAL 51 12.486 11.712 0.861 392 H SER 52 H SER 52 9.084 11.211 4.394 393 HA SER 52 HA SER 52 8.395 8.381 4.784 394 1HB SER 52 1HB SER 52 10.580 8.996 5.717 395 2HB SER 52 2HB SER 52 9.812 10.252 6.690 396 HG SER 52 HG SER 52 8.466 8.163 7.294 397 H ASP 53 H ASP 53 7.639 11.652 5.792 398 HA ASP 53 HA ASP 53 5.996 12.562 7.076 399 1HB ASP 53 1HB ASP 53 4.749 11.503 5.072 400 2HB ASP 53 2HB ASP 53 4.289 10.240 6.201 401 H ASN 54 H ASN 54 3.786 10.840 8.242 402 HA ASN 54 HA ASN 54 5.156 9.046 10.034 403 1HB ASN 54 1HB ASN 54 4.359 10.064 12.113 404 2HB ASN 54 2HB ASN 54 5.441 11.147 11.256 405 1HD2 ASN 54 1HD2 ASN 54 3.374 12.047 9.367 406 2HD2 ASN 54 2HD2 ASN 54 2.329 13.078 10.277 407 HA PRO 55 HA PRO 55 1.251 7.500 8.408 408 1HB PRO 55 1HB PRO 55 1.807 4.869 9.016 409 2HB PRO 55 2HB PRO 55 2.312 5.685 7.532 410 1HG PRO 55 1HG PRO 55 3.862 5.160 10.034 411 2HG PRO 55 2HG PRO 55 4.391 5.053 8.346 412 1HD PRO 55 1HD PRO 55 5.029 7.151 9.899 413 2HD PRO 55 2HD PRO 55 4.696 7.340 8.165 414 H VAL 56 H VAL 56 1.833 4.996 10.705 415 HA VAL 56 HA VAL 56 0.874 4.365 12.671 416 HB VAL 56 HB VAL 56 -0.013 7.251 12.877 417 1HG1 VAL 56 1HG1 VAL 56 -0.450 6.748 15.246 418 2HG1 VAL 56 2HG1 VAL 56 -0.125 5.043 14.933 419 3HG1 VAL 56 3HG1 VAL 56 -1.501 5.834 14.166 420 1HG2 VAL 56 1HG2 VAL 56 1.795 7.431 14.532 421 2HG2 VAL 56 2HG2 VAL 56 2.407 6.977 12.940 422 3HG2 VAL 56 3HG2 VAL 56 2.252 5.759 14.207 423 H MET 57 H MET 57 -1.160 6.580 10.865 424 HA MET 57 HA MET 57 -3.655 5.580 11.615 425 1HB MET 57 1HB MET 57 -4.498 6.759 9.591 426 2HB MET 57 2HB MET 57 -3.472 7.749 10.617 427 1HG MET 57 1HG MET 57 -1.581 7.299 9.085 428 2HG MET 57 2HG MET 57 -2.691 6.429 8.028 429 1HE MET 57 1HE MET 57 -1.911 8.005 6.017 430 2HE MET 57 2HE MET 57 -0.840 8.887 7.102 431 3HE MET 57 3HE MET 57 -1.971 9.766 6.075 432 H ILE 58 H ILE 58 -1.382 4.349 9.318 433 HA ILE 58 HA ILE 58 -3.086 2.899 7.632 434 HB ILE 58 HB ILE 58 -0.289 2.182 8.526 435 1HG1 ILE 58 1HG1 ILE 58 -0.387 4.377 7.475 436 2HG1 ILE 58 2HG1 ILE 58 0.409 3.223 6.408 437 1HG2 ILE 58 1HG2 ILE 58 -0.162 0.843 6.481 438 2HG2 ILE 58 2HG2 ILE 58 -1.860 1.183 6.153 439 3HG2 ILE 58 3HG2 ILE 58 -1.407 0.245 7.575 440 1HD1 ILE 58 1HD1 ILE 58 -1.102 4.705 5.196 441 2HD1 ILE 58 2HD1 ILE 58 -2.453 4.139 6.178 442 3HD1 ILE 58 3HD1 ILE 58 -1.624 3.025 5.094 443 H GLY 59 H GLY 59 -1.583 2.001 10.722 444 1HA GLY 59 1HA GLY 59 -2.584 -0.674 10.734 445 2HA GLY 59 2HA GLY 59 -1.924 0.192 12.115 446 H GLU 60 H GLU 60 -3.675 2.358 12.147 447 HA GLU 60 HA GLU 60 -5.867 1.365 13.589 448 1HB GLU 60 1HB GLU 60 -5.518 4.073 12.288 449 2HB GLU 60 2HB GLU 60 -6.668 3.684 13.558 450 1HG GLU 60 1HG GLU 60 -3.670 3.651 13.789 451 2HG GLU 60 2HG GLU 60 -4.766 4.854 14.466 452 H LEU 61 H LEU 61 -5.476 2.402 10.270 453 HA LEU 61 HA LEU 61 -8.149 2.617 9.503 454 1HB LEU 61 1HB LEU 61 -6.166 3.441 8.247 455 2HB LEU 61 2HB LEU 61 -5.799 1.785 7.805 456 HG LEU 61 HG LEU 61 -7.961 1.658 6.597 457 1HD1 LEU 61 1HD1 LEU 61 -8.121 4.603 7.231 458 2HD1 LEU 61 2HD1 LEU 61 -9.171 3.346 7.886 459 3HD1 LEU 61 3HD1 LEU 61 -9.201 3.715 6.160 460 1HD2 LEU 61 1HD2 LEU 61 -6.138 3.919 5.771 461 2HD2 LEU 61 2HD2 LEU 61 -7.271 3.071 4.720 462 3HD2 LEU 61 3HD2 LEU 61 -5.900 2.208 5.415 463 H LEU 62 H LEU 62 -5.913 -0.116 8.978 464 HA LEU 62 HA LEU 62 -7.793 -1.761 7.695 465 1HB LEU 62 1HB LEU 62 -5.157 -2.246 9.009 466 2HB LEU 62 2HB LEU 62 -6.141 -3.621 8.548 467 HG LEU 62 HG LEU 62 -6.122 -2.869 6.214 468 1HD1 LEU 62 1HD1 LEU 62 -5.915 -0.462 6.580 469 2HD1 LEU 62 2HD1 LEU 62 -4.656 -1.055 5.499 470 3HD1 LEU 62 3HD1 LEU 62 -4.273 -0.692 7.181 471 1HD2 LEU 62 1HD2 LEU 62 -3.379 -3.063 7.441 472 2HD2 LEU 62 2HD2 LEU 62 -3.781 -3.354 5.749 473 3HD2 LEU 62 3HD2 LEU 62 -4.417 -4.419 7.002 474 H ARG 63 H ARG 63 -7.269 -1.161 11.070 475 HA ARG 63 HA ARG 63 -8.324 -3.665 11.950 476 1HB ARG 63 1HB ARG 63 -7.568 -1.158 13.408 477 2HB ARG 63 2HB ARG 63 -8.330 -2.515 14.229 478 1HG ARG 63 1HG ARG 63 -6.473 -3.952 13.285 479 2HG ARG 63 2HG ARG 63 -5.672 -2.444 12.838 480 1HD ARG 63 1HD ARG 63 -4.856 -3.280 14.979 481 2HD ARG 63 2HD ARG 63 -5.687 -1.738 15.172 482 HE ARG 63 HE ARG 63 -7.524 -2.905 16.158 483 1HH1 ARG 63 1HH1 ARG 63 -4.761 -4.962 15.501 484 2HH1 ARG 63 2HH1 ARG 63 -5.184 -6.125 16.723 485 1HH2 ARG 63 1HH2 ARG 63 -8.095 -4.448 17.752 486 2HH2 ARG 63 2HH2 ARG 63 -7.058 -5.828 18.007 487 H GLU 64 H GLU 64 -9.947 -0.939 10.769 488 HA GLU 64 HA GLU 64 -12.222 -1.218 12.508 489 1HB GLU 64 1HB GLU 64 -13.395 0.300 11.057 490 2HB GLU 64 2HB GLU 64 -11.777 0.914 11.348 491 1HG GLU 64 1HG GLU 64 -11.068 0.217 9.156 492 2HG GLU 64 2HG GLU 64 -12.634 -0.542 8.856 493 H PHE 65 H PHE 65 -10.991 -2.950 9.879 494 HA PHE 65 HA PHE 65 -13.432 -4.586 9.937 495 1HB PHE 65 1HB PHE 65 -13.249 -3.326 7.770 496 2HB PHE 65 2HB PHE 65 -11.730 -4.161 7.471 497 HD1 PHE 65 HD1 PHE 65 -15.311 -4.863 8.220 498 HD2 PHE 65 HD2 PHE 65 -11.744 -6.129 6.266 499 HE1 PHE 65 HE1 PHE 65 -16.543 -6.717 7.169 500 HE2 PHE 65 HE2 PHE 65 -12.971 -7.981 5.216 501 HZ PHE 65 HZ PHE 65 -15.372 -8.279 5.666 502 HA PRO 66 HA PRO 66 -9.643 -7.032 10.911 503 1HB PRO 66 1HB PRO 66 -10.015 -7.471 13.505 504 2HB PRO 66 2HB PRO 66 -9.478 -5.888 12.928 505 1HG PRO 66 1HG PRO 66 -12.161 -6.748 13.885 506 2HG PRO 66 2HG PRO 66 -11.359 -5.178 14.050 507 1HD PRO 66 1HD PRO 66 -13.293 -5.914 12.114 508 2HD PRO 66 2HD PRO 66 -12.334 -4.421 12.151 509 H ASP 67 H ASP 67 -12.716 -7.751 10.369 510 HA ASP 67 HA ASP 67 -13.007 -10.286 11.675 511 1HB ASP 67 1HB ASP 67 -14.893 -8.756 10.848 512 2HB ASP 67 2HB ASP 67 -14.531 -9.365 9.236 513 H TYR 68 H TYR 68 -11.281 -9.181 9.030 514 HA TYR 68 HA TYR 68 -10.992 -11.893 7.948 515 1HB TYR 68 1HB TYR 68 -12.171 -10.029 6.518 516 2HB TYR 68 2HB TYR 68 -10.535 -9.429 6.283 517 HD1 TYR 68 HD1 TYR 68 -9.327 -10.212 4.464 518 HD2 TYR 68 HD2 TYR 68 -12.500 -12.589 5.999 519 HE1 TYR 68 HE1 TYR 68 -9.027 -11.802 2.612 520 HE2 TYR 68 HE2 TYR 68 -12.204 -14.188 4.157 521 HH TYR 68 HH TYR 68 -11.306 -14.326 1.982 522 H THR 69 H THR 69 -8.820 -11.687 6.468 523 HA THR 69 HA THR 69 -6.747 -10.795 8.348 524 HB THR 69 HB THR 69 -5.310 -12.481 7.107 525 HG1 THR 69 HG1 THR 69 -6.752 -12.649 5.283 526 1HG2 THR 69 1HG2 THR 69 -7.739 -13.511 8.578 527 2HG2 THR 69 2HG2 THR 69 -6.231 -12.972 9.316 528 3HG2 THR 69 3HG2 THR 69 -6.250 -14.415 8.302 529 H TRP 70 H TRP 70 -5.511 -9.147 7.725 530 HA TRP 70 HA TRP 70 -5.451 -8.436 4.865 531 1HB TRP 70 1HB TRP 70 -5.032 -6.721 7.324 532 2HB TRP 70 2HB TRP 70 -4.783 -6.158 5.677 533 HD1 TRP 70 HD1 TRP 70 -7.489 -6.853 8.223 534 HE1 TRP 70 HE1 TRP 70 -9.747 -6.029 7.299 535 HE3 TRP 70 HE3 TRP 70 -6.070 -5.881 3.417 536 HZ2 TRP 70 HZ2 TRP 70 -10.786 -5.092 4.827 537 HZ3 TRP 70 HZ3 TRP 70 -7.744 -5.029 1.833 538 HH2 TRP 70 HH2 TRP 70 -10.056 -4.645 2.521 539 H GLN 71 H GLN 71 -3.666 -9.302 3.978 540 HA GLN 71 HA GLN 71 -1.199 -9.374 5.525 541 1HB GLN 71 1HB GLN 71 -2.128 -10.660 2.999 542 2HB GLN 71 2HB GLN 71 -0.403 -10.409 3.207 543 1HG GLN 71 1HG GLN 71 -0.711 -12.548 4.007 544 2HG GLN 71 2HG GLN 71 -0.715 -11.579 5.475 545 1HE2 GLN 71 1HE2 GLN 71 -1.801 -14.212 5.037 546 2HE2 GLN 71 2HE2 GLN 71 -3.493 -14.108 5.402 547 H VAL 72 H VAL 72 -0.009 -7.615 5.568 548 HA VAL 72 HA VAL 72 -0.149 -5.671 3.409 549 HB VAL 72 HB VAL 72 1.454 -5.543 5.976 550 1HG1 VAL 72 1HG1 VAL 72 0.651 -3.385 4.029 551 2HG1 VAL 72 2HG1 VAL 72 2.272 -4.049 4.239 552 3HG1 VAL 72 3HG1 VAL 72 1.517 -3.137 5.546 553 1HG2 VAL 72 1HG2 VAL 72 -0.339 -4.127 6.841 554 2HG2 VAL 72 2HG2 VAL 72 -0.928 -5.745 6.453 555 3HG2 VAL 72 3HG2 VAL 72 -1.269 -4.400 5.366 556 H ALA 73 H ALA 73 1.195 -5.741 1.749 557 HA ALA 73 HA ALA 73 3.757 -7.149 2.105 558 1HB ALA 73 1HB ALA 73 3.605 -7.850 -0.200 559 2HB ALA 73 2HB ALA 73 2.112 -6.936 -0.411 560 3HB ALA 73 3HB ALA 73 2.149 -8.332 0.667 561 H ILE 74 H ILE 74 5.532 -6.022 1.785 562 HA ILE 74 HA ILE 74 5.397 -3.611 0.089 563 HB ILE 74 HB ILE 74 7.380 -2.795 1.422 564 1HG1 ILE 74 1HG1 ILE 74 6.522 -5.040 3.262 565 2HG1 ILE 74 2HG1 ILE 74 8.072 -4.888 2.444 566 1HG2 ILE 74 1HG2 ILE 74 6.006 -1.959 3.277 567 2HG2 ILE 74 2HG2 ILE 74 4.760 -3.141 2.873 568 3HG2 ILE 74 3HG2 ILE 74 5.168 -1.862 1.731 569 1HD1 ILE 74 1HD1 ILE 74 7.026 -3.061 4.589 570 2HD1 ILE 74 2HD1 ILE 74 8.577 -2.902 3.765 571 3HD1 ILE 74 3HD1 ILE 74 8.260 -4.305 4.784 572 H ALA 75 H ALA 75 7.019 -3.371 -1.455 573 HA ALA 75 HA ALA 75 8.481 -5.874 -1.956 574 1HB ALA 75 1HB ALA 75 6.810 -5.259 -3.630 575 2HB ALA 75 2HB ALA 75 8.436 -5.267 -4.309 576 3HB ALA 75 3HB ALA 75 7.654 -3.737 -3.913 577 H ASP 76 H ASP 76 10.492 -5.610 -3.307 578 HA ASP 76 HA ASP 76 12.430 -4.016 -2.039 579 1HB ASP 76 1HB ASP 76 12.558 -5.239 -4.804 580 2HB ASP 76 2HB ASP 76 13.929 -4.708 -3.840 581 H LEU 77 H LEU 77 13.902 -2.510 -3.358 582 HA LEU 77 HA LEU 77 12.516 -0.179 -4.021 583 1HB LEU 77 1HB LEU 77 14.955 -0.477 -3.349 584 2HB LEU 77 2HB LEU 77 15.268 -0.898 -5.019 585 HG LEU 77 HG LEU 77 14.021 1.739 -4.276 586 1HD1 LEU 77 1HD1 LEU 77 16.102 1.568 -3.031 587 2HD1 LEU 77 2HD1 LEU 77 16.270 2.712 -4.365 588 3HD1 LEU 77 3HD1 LEU 77 16.956 1.093 -4.497 589 1HD2 LEU 77 1HD2 LEU 77 13.902 1.062 -6.631 590 2HD2 LEU 77 2HD2 LEU 77 15.652 0.845 -6.656 591 3HD2 LEU 77 3HD2 LEU 77 14.966 2.452 -6.408 592 H GLU 78 H GLU 78 14.167 -2.460 -6.219 593 HA GLU 78 HA GLU 78 13.110 -1.215 -8.564 594 1HB GLU 78 1HB GLU 78 14.536 -3.818 -8.079 595 2HB GLU 78 2HB GLU 78 14.009 -3.306 -9.677 596 1HG GLU 78 1HG GLU 78 15.850 -1.715 -7.908 597 2HG GLU 78 2HG GLU 78 16.384 -2.809 -9.179 598 H GLN 79 H GLN 79 12.148 -3.864 -6.517 599 HA GLN 79 HA GLN 79 10.429 -5.117 -8.389 600 1HB GLN 79 1HB GLN 79 10.967 -5.411 -5.477 601 2HB GLN 79 2HB GLN 79 9.482 -6.106 -6.113 602 1HG GLN 79 1HG GLN 79 11.333 -7.717 -6.022 603 2HG GLN 79 2HG GLN 79 10.724 -7.473 -7.655 604 1HE2 GLN 79 1HE2 GLN 79 13.392 -7.072 -5.502 605 2HE2 GLN 79 2HE2 GLN 79 14.551 -6.587 -6.695 606 H SER 80 H SER 80 9.858 -2.746 -5.813 607 HA SER 80 HA SER 80 7.081 -2.759 -5.824 608 1HB SER 80 1HB SER 80 8.947 -0.403 -5.452 609 2HB SER 80 2HB SER 80 7.236 -0.413 -5.028 610 HG SER 80 HG SER 80 9.375 -1.819 -3.843 611 H GLU 81 H GLU 81 9.269 -0.747 -7.740 612 HA GLU 81 HA GLU 81 7.336 0.615 -9.223 613 1HB GLU 81 1HB GLU 81 9.910 0.972 -8.984 614 2HB GLU 81 2HB GLU 81 10.020 -0.119 -10.358 615 1HG GLU 81 1HG GLU 81 10.077 2.083 -11.209 616 2HG GLU 81 2HG GLU 81 8.486 1.430 -11.592 617 H ALA 82 H ALA 82 9.070 -2.407 -9.872 618 HA ALA 82 HA ALA 82 8.117 -2.794 -12.494 619 1HB ALA 82 1HB ALA 82 8.946 -5.067 -12.284 620 2HB ALA 82 2HB ALA 82 9.072 -4.878 -10.536 621 3HB ALA 82 3HB ALA 82 10.104 -3.925 -11.601 622 H ILE 83 H ILE 83 6.892 -3.910 -9.355 623 HA ILE 83 HA ILE 83 4.947 -5.673 -10.381 624 HB ILE 83 HB ILE 83 5.034 -4.199 -7.748 625 1HG1 ILE 83 1HG1 ILE 83 5.657 -7.072 -8.475 626 2HG1 ILE 83 2HG1 ILE 83 6.855 -5.818 -8.176 627 1HG2 ILE 83 1HG2 ILE 83 3.201 -6.439 -8.603 628 2HG2 ILE 83 2HG2 ILE 83 2.723 -4.781 -8.247 629 3HG2 ILE 83 3HG2 ILE 83 3.349 -5.815 -6.961 630 1HD1 ILE 83 1HD1 ILE 83 4.858 -6.815 -6.166 631 2HD1 ILE 83 2HD1 ILE 83 6.139 -5.635 -5.879 632 3HD1 ILE 83 3HD1 ILE 83 6.547 -7.309 -6.263 633 H GLY 84 H GLY 84 4.690 -2.266 -9.367 634 1HA GLY 84 1HA GLY 84 1.945 -1.981 -10.023 635 2HA GLY 84 2HA GLY 84 3.105 -0.666 -9.865 636 H ASP 85 H ASP 85 4.905 -1.276 -11.809 637 HA ASP 85 HA ASP 85 3.809 -0.195 -14.125 638 1HB ASP 85 1HB ASP 85 6.216 -0.189 -13.589 639 2HB ASP 85 2HB ASP 85 6.273 -1.929 -13.837 640 H ARG 86 H ARG 86 4.480 -3.551 -13.295 641 HA ARG 86 HA ARG 86 3.759 -4.662 -15.790 642 1HB ARG 86 1HB ARG 86 5.183 -5.782 -14.095 643 2HB ARG 86 2HB ARG 86 3.773 -5.963 -13.065 644 1HG ARG 86 1HG ARG 86 2.727 -7.416 -14.693 645 2HG ARG 86 2HG ARG 86 4.087 -7.192 -15.796 646 1HD ARG 86 1HD ARG 86 5.586 -8.211 -14.171 647 2HD ARG 86 2HD ARG 86 4.249 -8.398 -13.038 648 HE ARG 86 HE ARG 86 3.293 -9.787 -15.058 649 1HH1 ARG 86 1HH1 ARG 86 6.613 -9.672 -13.955 650 2HH1 ARG 86 2HH1 ARG 86 6.927 -11.345 -14.306 651 1HH2 ARG 86 1HH2 ARG 86 3.697 -11.990 -15.532 652 2HH2 ARG 86 2HH2 ARG 86 5.285 -12.658 -15.244 653 H PHE 87 H PHE 87 1.928 -3.717 -12.994 654 HA PHE 87 HA PHE 87 -0.450 -5.149 -13.751 655 1HB PHE 87 1HB PHE 87 0.057 -4.543 -11.387 656 2HB PHE 87 2HB PHE 87 -0.142 -2.847 -11.807 657 HD1 PHE 87 HD1 PHE 87 -2.273 -1.856 -11.900 658 HD2 PHE 87 HD2 PHE 87 -1.909 -6.078 -11.527 659 HE1 PHE 87 HE1 PHE 87 -4.683 -2.018 -11.429 660 HE2 PHE 87 HE2 PHE 87 -4.318 -6.251 -11.059 661 HZ PHE 87 HZ PHE 87 -5.708 -4.221 -11.011 662 H GLY 88 H GLY 88 0.805 -1.877 -14.082 663 1HA GLY 88 1HA GLY 88 -0.019 -1.051 -16.415 664 2HA GLY 88 2HA GLY 88 -1.581 -1.098 -15.607 665 H VAL 89 H VAL 89 -0.242 -0.320 -13.038 666 HA VAL 89 HA VAL 89 -0.429 2.546 -13.475 667 HB VAL 89 HB VAL 89 -0.005 1.058 -10.872 668 1HG1 VAL 89 1HG1 VAL 89 -0.924 3.882 -11.410 669 2HG1 VAL 89 2HG1 VAL 89 0.652 3.410 -10.773 670 3HG1 VAL 89 3HG1 VAL 89 -0.806 3.120 -9.824 671 1HG2 VAL 89 1HG2 VAL 89 -2.571 2.051 -12.115 672 2HG2 VAL 89 2HG2 VAL 89 -2.415 1.357 -10.502 673 3HG2 VAL 89 3HG2 VAL 89 -2.095 0.365 -11.923 674 H PHE 90 H PHE 90 1.396 3.323 -14.354 675 HA PHE 90 HA PHE 90 3.983 2.404 -13.375 676 1HB PHE 90 1HB PHE 90 4.919 3.584 -15.305 677 2HB PHE 90 2HB PHE 90 3.623 2.503 -15.806 678 HD1 PHE 90 HD1 PHE 90 1.352 3.491 -16.305 679 HD2 PHE 90 HD2 PHE 90 4.842 5.874 -15.782 680 HE1 PHE 90 HE1 PHE 90 0.238 5.368 -17.436 681 HE2 PHE 90 HE2 PHE 90 3.732 7.752 -16.913 682 HZ PHE 90 HZ PHE 90 1.427 7.503 -17.740 683 H ARG 91 H ARG 91 5.216 3.538 -12.035 684 HA ARG 91 HA ARG 91 6.199 5.245 -10.923 685 1HB ARG 91 1HB ARG 91 5.566 6.324 -13.407 686 2HB ARG 91 2HB ARG 91 4.939 7.498 -12.260 687 1HG ARG 91 1HG ARG 91 7.204 8.052 -12.915 688 2HG ARG 91 2HG ARG 91 7.133 7.637 -11.200 689 1HD ARG 91 1HD ARG 91 7.945 5.390 -11.702 690 2HD ARG 91 2HD ARG 91 7.998 5.790 -13.421 691 HE ARG 91 HE ARG 91 9.796 7.316 -12.965 692 1HH1 ARG 91 1HH1 ARG 91 8.895 5.196 -10.325 693 2HH1 ARG 91 2HH1 ARG 91 10.419 5.361 -9.495 694 1HH2 ARG 91 1HH2 ARG 91 11.823 7.514 -11.888 695 2HH2 ARG 91 2HH2 ARG 91 12.075 6.675 -10.388 696 H PHE 92 H PHE 92 5.615 7.431 -9.793 697 HA PHE 92 HA PHE 92 4.414 8.645 -8.323 698 1HB PHE 92 1HB PHE 92 2.010 7.340 -9.619 699 2HB PHE 92 2HB PHE 92 1.931 8.642 -8.433 700 HD1 PHE 92 HD1 PHE 92 3.111 10.830 -9.007 701 HD2 PHE 92 HD2 PHE 92 2.233 7.817 -11.878 702 HE1 PHE 92 HE1 PHE 92 3.333 12.488 -10.811 703 HE2 PHE 92 HE2 PHE 92 2.451 9.469 -13.685 704 HZ PHE 92 HZ PHE 92 3.003 11.811 -13.153 705 HA PRO 93 HA PRO 93 4.478 5.412 -5.185 706 1HB PRO 93 1HB PRO 93 4.944 7.143 -3.132 707 2HB PRO 93 2HB PRO 93 6.214 6.512 -4.185 708 1HG PRO 93 1HG PRO 93 4.807 9.149 -4.286 709 2HG PRO 93 2HG PRO 93 6.527 8.788 -4.507 710 1HD PRO 93 1HD PRO 93 4.869 9.241 -6.589 711 2HD PRO 93 2HD PRO 93 6.236 8.111 -6.693 712 H ALA 94 H ALA 94 2.872 4.637 -4.022 713 HA ALA 94 HA ALA 94 0.995 6.156 -2.548 714 1HB ALA 94 1HB ALA 94 0.116 6.722 -4.754 715 2HB ALA 94 2HB ALA 94 -1.018 5.700 -3.874 716 3HB ALA 94 3HB ALA 94 -0.020 5.009 -5.152 717 H THR 95 H THR 95 -1.085 4.522 -2.249 718 HA THR 95 HA THR 95 0.105 1.880 -1.702 719 HB THR 95 HB THR 95 -2.238 3.133 -0.256 720 HG1 THR 95 HG1 THR 95 0.477 3.485 0.043 721 1HG2 THR 95 1HG2 THR 95 -2.194 0.702 -0.145 722 2HG2 THR 95 2HG2 THR 95 -1.768 1.389 1.423 723 3HG2 THR 95 3HG2 THR 95 -0.510 0.738 0.372 724 H LEU 96 H LEU 96 -0.790 0.176 -2.712 725 HA LEU 96 HA LEU 96 -3.219 0.627 -4.280 726 1HB LEU 96 1HB LEU 96 -1.217 -1.635 -4.334 727 2HB LEU 96 2HB LEU 96 -2.613 -1.506 -5.390 728 HG LEU 96 HG LEU 96 -0.269 0.397 -5.324 729 1HD1 LEU 96 1HD1 LEU 96 0.298 -1.755 -6.308 730 2HD1 LEU 96 2HD1 LEU 96 0.225 -0.498 -7.544 731 3HD1 LEU 96 3HD1 LEU 96 -1.103 -1.649 -7.375 732 1HD2 LEU 96 1HD2 LEU 96 -1.313 1.395 -7.317 733 2HD2 LEU 96 2HD2 LEU 96 -2.322 1.568 -5.880 734 3HD2 LEU 96 3HD2 LEU 96 -2.714 0.348 -7.092 735 H VAL 97 H VAL 97 -5.078 0.060 -3.407 736 HA VAL 97 HA VAL 97 -5.055 -1.911 -1.243 737 HB VAL 97 HB VAL 97 -6.013 0.241 -0.637 738 1HG1 VAL 97 1HG1 VAL 97 -6.755 0.979 -2.840 739 2HG1 VAL 97 2HG1 VAL 97 -8.065 1.078 -1.665 740 3HG1 VAL 97 3HG1 VAL 97 -8.023 -0.245 -2.830 741 1HG2 VAL 97 1HG2 VAL 97 -8.194 -0.512 0.191 742 2HG2 VAL 97 2HG2 VAL 97 -6.938 -1.726 0.430 743 3HG2 VAL 97 3HG2 VAL 97 -8.107 -1.911 -0.877 744 H PHE 98 H PHE 98 -5.987 -3.818 -1.413 745 HA PHE 98 HA PHE 98 -7.703 -4.356 -3.741 746 1HB PHE 98 1HB PHE 98 -5.683 -6.224 -2.469 747 2HB PHE 98 2HB PHE 98 -6.766 -6.639 -3.789 748 HD1 PHE 98 HD1 PHE 98 -6.367 -5.816 -6.033 749 HD2 PHE 98 HD2 PHE 98 -3.732 -4.845 -2.836 750 HE1 PHE 98 HE1 PHE 98 -4.673 -5.078 -7.658 751 HE2 PHE 98 HE2 PHE 98 -2.034 -4.103 -4.456 752 HZ PHE 98 HZ PHE 98 -2.506 -4.219 -6.872 753 H THR 99 H THR 99 -9.197 -6.167 -3.403 754 HA THR 99 HA THR 99 -9.441 -7.272 -0.740 755 HB THR 99 HB THR 99 -11.970 -6.181 -1.887 756 HG1 THR 99 HG1 THR 99 -9.968 -4.760 -0.497 757 1HG2 THR 99 1HG2 THR 99 -12.107 -7.802 -0.083 758 2HG2 THR 99 2HG2 THR 99 -12.679 -6.225 0.459 759 3HG2 THR 99 3HG2 THR 99 -11.072 -6.789 0.923 760 H GLY 100 H GLY 100 -10.277 -9.258 -0.805 761 1HA GLY 100 1HA GLY 100 -10.748 -11.310 -1.731 762 2HA GLY 100 2HA GLY 100 -11.762 -10.445 -2.875 763 H GLY 101 H GLY 101 -8.485 -9.479 -2.814 764 1HA GLY 101 1HA GLY 101 -6.688 -10.031 -4.209 765 2HA GLY 101 2HA GLY 101 -7.685 -11.262 -4.969 766 H ASN 102 H ASN 102 -9.646 -8.704 -4.940 767 HA ASN 102 HA ASN 102 -8.963 -7.995 -7.685 768 1HB ASN 102 1HB ASN 102 -11.446 -7.439 -6.064 769 2HB ASN 102 2HB ASN 102 -11.226 -6.966 -7.740 770 1HD2 ASN 102 1HD2 ASN 102 -9.758 -9.466 -8.324 771 2HD2 ASN 102 2HD2 ASN 102 -10.978 -10.693 -8.442 772 H TYR 103 H TYR 103 -8.821 -5.868 -8.402 773 HA TYR 103 HA TYR 103 -7.480 -4.116 -6.573 774 1HB TYR 103 1HB TYR 103 -6.843 -4.376 -8.964 775 2HB TYR 103 2HB TYR 103 -8.371 -3.644 -9.429 776 HD1 TYR 103 HD1 TYR 103 -5.304 -2.923 -7.425 777 HD2 TYR 103 HD2 TYR 103 -8.462 -1.369 -9.811 778 HE1 TYR 103 HE1 TYR 103 -4.238 -0.708 -7.383 779 HE2 TYR 103 HE2 TYR 103 -7.408 0.851 -9.771 780 HH TYR 103 HH TYR 103 -4.218 1.350 -8.673 781 H ARG 104 H ARG 104 -8.351 -2.541 -5.375 782 HA ARG 104 HA ARG 104 -11.170 -1.870 -5.836 783 1HB ARG 104 1HB ARG 104 -9.396 -1.331 -3.448 784 2HB ARG 104 2HB ARG 104 -11.098 -0.904 -3.562 785 1HG ARG 104 1HG ARG 104 -10.067 -3.722 -3.758 786 2HG ARG 104 2HG ARG 104 -10.608 -2.973 -2.257 787 1HD ARG 104 1HD ARG 104 -12.406 -4.278 -3.140 788 2HD ARG 104 2HD ARG 104 -12.818 -2.576 -3.321 789 HE ARG 104 HE ARG 104 -11.598 -3.473 -5.685 790 1HH1 ARG 104 1HH1 ARG 104 -14.569 -3.896 -3.878 791 2HH1 ARG 104 2HH1 ARG 104 -15.524 -4.240 -5.291 792 1HH2 ARG 104 1HH2 ARG 104 -12.852 -3.904 -7.542 793 2HH2 ARG 104 2HH2 ARG 104 -14.548 -4.247 -7.370 794 H GLY 105 H GLY 105 -8.021 -0.334 -5.314 795 1HA GLY 105 1HA GLY 105 -8.298 1.673 -7.180 796 2HA GLY 105 2HA GLY 105 -8.988 2.320 -5.696 797 H VAL 106 H VAL 106 -7.206 3.883 -5.971 798 HA VAL 106 HA VAL 106 -4.731 2.814 -4.799 799 HB VAL 106 HB VAL 106 -4.323 3.480 -7.109 800 1HG1 VAL 106 1HG1 VAL 106 -4.544 5.822 -7.818 801 2HG1 VAL 106 2HG1 VAL 106 -5.329 6.198 -6.284 802 3HG1 VAL 106 3HG1 VAL 106 -6.099 5.090 -7.421 803 1HG2 VAL 106 1HG2 VAL 106 -2.486 5.045 -6.742 804 2HG2 VAL 106 2HG2 VAL 106 -2.539 3.806 -5.486 805 3HG2 VAL 106 3HG2 VAL 106 -3.133 5.434 -5.147 806 H LEU 107 H LEU 107 -3.997 3.785 -3.007 807 HA LEU 107 HA LEU 107 -5.614 5.981 -1.932 808 1HB LEU 107 1HB LEU 107 -3.692 4.090 -0.576 809 2HB LEU 107 2HB LEU 107 -4.563 5.373 0.238 810 HG LEU 107 HG LEU 107 -5.840 3.007 -1.135 811 1HD1 LEU 107 1HD1 LEU 107 -4.633 2.325 0.853 812 2HD1 LEU 107 2HD1 LEU 107 -6.371 2.265 1.142 813 3HD1 LEU 107 3HD1 LEU 107 -5.414 3.595 1.792 814 1HD2 LEU 107 1HD2 LEU 107 -7.897 3.779 -0.098 815 2HD2 LEU 107 2HD2 LEU 107 -7.232 5.031 -1.147 816 3HD2 LEU 107 3HD2 LEU 107 -7.051 5.158 0.602 817 H ASN 108 H ASN 108 -4.805 7.912 -2.433 818 HA ASN 108 HA ASN 108 -1.998 8.400 -1.734 819 1HB ASN 108 1HB ASN 108 -2.304 8.344 -4.239 820 2HB ASN 108 2HB ASN 108 -3.375 9.732 -4.075 821 1HD2 ASN 108 1HD2 ASN 108 -0.109 8.610 -4.006 822 2HD2 ASN 108 2HD2 ASN 108 0.642 10.163 -3.906 823 H GLY 109 H GLY 109 -2.874 9.052 0.274 824 1HA GLY 109 1HA GLY 109 -3.619 11.856 0.284 825 2HA GLY 109 2HA GLY 109 -4.802 10.756 0.983 826 H ILE 110 H ILE 110 -1.317 11.436 1.114 827 HA ILE 110 HA ILE 110 -1.126 10.280 3.753 828 HB ILE 110 HB ILE 110 0.960 11.755 2.132 829 1HG1 ILE 110 1HG1 ILE 110 0.081 9.620 1.128 830 2HG1 ILE 110 2HG1 ILE 110 1.804 9.601 1.491 831 1HG2 ILE 110 1HG2 ILE 110 1.286 10.036 4.592 832 2HG2 ILE 110 2HG2 ILE 110 1.457 11.790 4.526 833 3HG2 ILE 110 3HG2 ILE 110 2.590 10.762 3.652 834 1HD1 ILE 110 1HD1 ILE 110 0.764 7.506 2.110 835 2HD1 ILE 110 2HD1 ILE 110 -0.367 8.358 3.159 836 3HD1 ILE 110 3HD1 ILE 110 1.356 8.355 3.538 837 H HIS 111 H HIS 111 -2.636 11.714 4.830 838 HA HIS 111 HA HIS 111 -1.277 13.425 6.524 839 1HB HIS 111 1HB HIS 111 -1.380 14.864 4.336 840 2HB HIS 111 2HB HIS 111 -3.042 15.165 4.836 841 HD1 HIS 111 HD1 HIS 111 -3.414 16.807 6.743 842 HD2 HIS 111 HD2 HIS 111 0.597 15.873 6.134 843 HE1 HIS 111 HE1 HIS 111 -2.114 18.412 8.177 844 HE2 HIS 111 HE2 HIS 111 0.289 17.688 7.949 845 HA PRO 112 HA PRO 112 -5.846 14.005 7.567 846 1HB PRO 112 1HB PRO 112 -7.648 13.275 5.475 847 2HB PRO 112 2HB PRO 112 -7.270 14.894 6.065 848 1HG PRO 112 1HG PRO 112 -6.621 13.932 3.556 849 2HG PRO 112 2HG PRO 112 -5.827 15.301 4.354 850 1HD PRO 112 1HD PRO 112 -4.932 12.454 4.133 851 2HD PRO 112 2HD PRO 112 -3.975 13.948 4.048 852 H TRP 113 H TRP 113 -6.503 12.558 8.978 853 HA TRP 113 HA TRP 113 -6.413 9.744 8.417 854 1HB TRP 113 1HB TRP 113 -5.701 10.407 10.585 855 2HB TRP 113 2HB TRP 113 -7.143 11.375 10.843 856 HD1 TRP 113 HD1 TRP 113 -8.325 10.288 12.820 857 HE1 TRP 113 HE1 TRP 113 -9.111 7.915 13.426 858 HE3 TRP 113 HE3 TRP 113 -6.272 7.726 8.898 859 HZ2 TRP 113 HZ2 TRP 113 -8.891 5.302 12.380 860 HZ3 TRP 113 HZ3 TRP 113 -6.610 5.294 8.777 861 HH2 TRP 113 HH2 TRP 113 -7.896 4.112 10.477 862 H ALA 114 H ALA 114 -8.984 12.066 9.242 863 HA ALA 114 HA ALA 114 -11.135 10.284 9.171 864 1HB ALA 114 1HB ALA 114 -12.550 12.244 8.874 865 2HB ALA 114 2HB ALA 114 -11.141 13.207 8.433 866 3HB ALA 114 3HB ALA 114 -11.290 12.561 10.066 867 H GLU 115 H GLU 115 -9.564 12.080 6.581 868 HA GLU 115 HA GLU 115 -11.481 11.361 4.587 869 1HB GLU 115 1HB GLU 115 -10.116 13.416 4.436 870 2HB GLU 115 2HB GLU 115 -8.669 12.433 4.262 871 1HG GLU 115 1HG GLU 115 -9.377 11.615 2.149 872 2HG GLU 115 2HG GLU 115 -10.982 12.318 2.350 873 H LEU 116 H LEU 116 -8.382 10.077 5.673 874 HA LEU 116 HA LEU 116 -7.952 8.201 3.635 875 1HB LEU 116 1HB LEU 116 -6.306 8.789 5.406 876 2HB LEU 116 2HB LEU 116 -7.288 7.920 6.570 877 HG LEU 116 HG LEU 116 -6.916 5.831 5.279 878 1HD1 LEU 116 1HD1 LEU 116 -5.178 5.777 3.570 879 2HD1 LEU 116 2HD1 LEU 116 -4.994 7.527 3.690 880 3HD1 LEU 116 3HD1 LEU 116 -6.504 6.837 3.094 881 1HD2 LEU 116 1HD2 LEU 116 -5.520 6.393 7.205 882 2HD2 LEU 116 2HD2 LEU 116 -4.399 7.247 6.146 883 3HD2 LEU 116 3HD2 LEU 116 -4.610 5.503 5.985 884 H ILE 117 H ILE 117 -9.763 7.984 6.670 885 HA ILE 117 HA ILE 117 -10.649 5.341 6.462 886 HB ILE 117 HB ILE 117 -12.171 7.698 7.598 887 1HG1 ILE 117 1HG1 ILE 117 -10.345 5.725 8.987 888 2HG1 ILE 117 2HG1 ILE 117 -9.932 7.394 8.607 889 1HG2 ILE 117 1HG2 ILE 117 -12.508 4.736 8.057 890 2HG2 ILE 117 2HG2 ILE 117 -13.631 5.807 7.218 891 3HG2 ILE 117 3HG2 ILE 117 -13.345 6.010 8.946 892 1HD1 ILE 117 1HD1 ILE 117 -12.144 6.504 10.445 893 2HD1 ILE 117 2HD1 ILE 117 -11.714 8.173 10.073 894 3HD1 ILE 117 3HD1 ILE 117 -10.575 7.141 10.937 895 H ASN 118 H ASN 118 -12.094 8.344 5.258 896 HA ASN 118 HA ASN 118 -14.466 7.352 4.222 897 1HB ASN 118 1HB ASN 118 -13.550 9.782 4.380 898 2HB ASN 118 2HB ASN 118 -12.902 9.480 2.784 899 1HD2 ASN 118 1HD2 ASN 118 -14.778 11.429 3.420 900 2HD2 ASN 118 2HD2 ASN 118 -16.249 11.062 2.585 901 H LEU 119 H LEU 119 -11.338 7.739 2.620 902 HA LEU 119 HA LEU 119 -12.128 6.661 0.140 903 1HB LEU 119 1HB LEU 119 -9.382 6.824 1.376 904 2HB LEU 119 2HB LEU 119 -9.706 6.463 -0.304 905 HG LEU 119 HG LEU 119 -10.361 9.058 1.088 906 1HD1 LEU 119 1HD1 LEU 119 -8.599 9.995 -0.305 907 2HD1 LEU 119 2HD1 LEU 119 -8.247 8.394 -0.957 908 3HD1 LEU 119 3HD1 LEU 119 -7.967 8.734 0.751 909 1HD2 LEU 119 1HD2 LEU 119 -11.967 8.541 -0.672 910 2HD2 LEU 119 2HD2 LEU 119 -10.649 8.254 -1.806 911 3HD2 LEU 119 3HD2 LEU 119 -10.913 9.870 -1.153 912 H MET 120 H MET 120 -10.273 5.158 2.799 913 HA MET 120 HA MET 120 -9.945 2.641 1.617 914 1HB MET 120 1HB MET 120 -8.751 3.358 3.642 915 2HB MET 120 2HB MET 120 -10.259 3.311 4.549 916 1HG MET 120 1HG MET 120 -8.975 1.346 5.022 917 2HG MET 120 2HG MET 120 -10.414 0.897 4.108 918 1HE MET 120 1HE MET 120 -7.963 -1.059 4.490 919 2HE MET 120 2HE MET 120 -7.806 -1.708 2.856 920 3HE MET 120 3HE MET 120 -9.404 -1.455 3.553 921 H ARG 121 H ARG 121 -12.435 3.781 3.843 922 HA ARG 121 HA ARG 121 -13.914 1.386 3.937 923 1HB ARG 121 1HB ARG 121 -13.948 3.377 5.534 924 2HB ARG 121 2HB ARG 121 -15.006 4.158 4.375 925 1HG ARG 121 1HG ARG 121 -16.708 2.556 4.711 926 2HG ARG 121 2HG ARG 121 -15.626 1.503 5.627 927 1HD ARG 121 1HD ARG 121 -15.399 3.288 7.325 928 2HD ARG 121 2HD ARG 121 -16.583 4.241 6.435 929 HE ARG 121 HE ARG 121 -18.252 2.634 7.008 930 1HH1 ARG 121 1HH1 ARG 121 -15.135 1.993 8.503 931 2HH1 ARG 121 2HH1 ARG 121 -15.837 1.199 9.885 932 1HH2 ARG 121 1HH2 ARG 121 -19.141 1.566 8.834 933 2HH2 ARG 121 2HH2 ARG 121 -18.084 0.984 10.090 934 H GLY 122 H GLY 122 -13.972 4.154 1.770 935 1HA GLY 122 1HA GLY 122 -16.415 3.418 0.478 936 2HA GLY 122 2HA GLY 122 -15.221 4.558 -0.123 937 H LEU 123 H LEU 123 -13.064 2.530 0.035 938 HA LEU 123 HA LEU 123 -13.551 1.459 -2.606 939 1HB LEU 123 1HB LEU 123 -11.099 1.482 -0.855 940 2HB LEU 123 2HB LEU 123 -11.147 0.767 -2.454 941 HG LEU 123 HG LEU 123 -11.638 3.682 -1.834 942 1HD1 LEU 123 1HD1 LEU 123 -9.501 4.071 -2.919 943 2HD1 LEU 123 2HD1 LEU 123 -9.287 2.334 -3.153 944 3HD1 LEU 123 3HD1 LEU 123 -9.301 3.010 -1.523 945 1HD2 LEU 123 1HD2 LEU 123 -11.444 2.225 -4.467 946 2HD2 LEU 123 2HD2 LEU 123 -11.579 3.971 -4.265 947 3HD2 LEU 123 3HD2 LEU 123 -12.906 2.920 -3.771 948 H VAL 124 H VAL 124 -12.564 0.069 0.555 949 HA VAL 124 HA VAL 124 -12.933 -2.605 -0.491 950 HB VAL 124 HB VAL 124 -12.350 -3.412 1.734 951 1HG1 VAL 124 1HG1 VAL 124 -10.550 -1.190 0.784 952 2HG1 VAL 124 2HG1 VAL 124 -10.549 -2.858 0.212 953 3HG1 VAL 124 3HG1 VAL 124 -10.078 -2.495 1.873 954 1HG2 VAL 124 1HG2 VAL 124 -12.324 -0.504 2.545 955 2HG2 VAL 124 2HG2 VAL 124 -11.747 -1.848 3.532 956 3HG2 VAL 124 3HG2 VAL 124 -13.455 -1.738 3.103 957 H GLU 125 H GLU 125 -14.773 -0.272 1.144 958 HA GLU 125 HA GLU 125 -16.753 -0.174 2.192 959 1HB GLU 125 1HB GLU 125 -17.424 -0.268 -0.077 960 2HB GLU 125 2HB GLU 125 -17.245 -2.007 -0.114 961 1HG GLU 125 1HG GLU 125 -19.143 -2.245 1.403 962 2HG GLU 125 2HG GLU 125 -19.299 -0.492 1.484 963 HA PRO 126 HA PRO 126 -16.697 -3.891 4.898 964 1HB PRO 126 1HB PRO 126 -17.016 -1.790 6.927 965 2HB PRO 126 2HB PRO 126 -15.862 -3.126 6.871 966 1HG PRO 126 1HG PRO 126 -15.071 -0.601 6.478 967 2HG PRO 126 2HG PRO 126 -14.355 -1.950 5.579 968 1HD PRO 126 1HD PRO 126 -16.452 0.002 4.691 969 2HD PRO 126 2HD PRO 126 -15.025 -0.590 3.812 970 H GLN 127 H GLN 127 -18.678 -4.411 4.093 971 HA GLN 127 HA GLN 127 -20.921 -2.770 4.141 972 1HB GLN 127 1HB GLN 127 -20.766 -5.752 3.829 973 2HB GLN 127 2HB GLN 127 -22.141 -4.754 3.417 974 1HG GLN 127 1HG GLN 127 -20.704 -3.550 1.782 975 2HG GLN 127 2HG GLN 127 -19.435 -4.724 2.124 976 1HE2 GLN 127 1HE2 GLN 127 -20.832 -4.134 -0.361 977 2HE2 GLN 127 2HE2 GLN 127 -21.558 -5.627 -0.865 978 H GLN 128 H GLN 128 -19.937 -5.350 6.230 979 HA GLN 128 HA GLN 128 -22.280 -4.913 7.889 980 1HB GLN 128 1HB GLN 128 -20.174 -7.070 8.008 981 2HB GLN 128 2HB GLN 128 -21.499 -6.925 9.157 982 1HG GLN 128 1HG GLN 128 -23.055 -7.061 7.168 983 2HG GLN 128 2HG GLN 128 -21.643 -7.534 6.222 984 1HE2 GLN 128 1HE2 GLN 128 -22.461 -9.567 5.782 985 2HE2 GLN 128 2HE2 GLN 128 -22.562 -10.803 6.987 986 H GLU 129 H GLU 129 -20.993 -2.773 8.026 987 HA GLU 129 HA GLU 129 -20.303 -2.573 10.790 988 1HB GLU 129 1HB GLU 129 -18.120 -3.114 9.322 989 2HB GLU 129 2HB GLU 129 -18.193 -1.379 9.047 990 1HG GLU 129 1HG GLU 129 -18.099 -2.706 11.748 991 2HG GLU 129 2HG GLU 129 -16.719 -1.999 10.913 992 H ARG 130 H ARG 130 -21.773 -1.072 11.173 993 HA ARG 130 HA ARG 130 -21.549 1.524 9.941 994 1HB ARG 130 1HB ARG 130 -23.996 1.523 9.255 995 2HB ARG 130 2HB ARG 130 -22.905 0.593 8.234 996 1HG ARG 130 1HG ARG 130 -23.610 -1.461 9.379 997 2HG ARG 130 2HG ARG 130 -24.740 -0.516 10.350 998 1HD ARG 130 1HD ARG 130 -24.787 -0.590 7.341 999 2HD ARG 130 2HD ARG 130 -25.733 -1.680 8.354 1000 HE ARG 130 HE ARG 130 -26.849 0.328 9.246 1001 1HH1 ARG 130 1HH1 ARG 130 -25.069 0.658 6.252 1002 2HH1 ARG 130 2HH1 ARG 130 -26.095 1.913 5.628 1003 1HH2 ARG 130 1HH2 ARG 130 -28.229 1.954 8.427 1004 2HH2 ARG 130 2HH2 ARG 130 -27.901 2.646 6.858 1005 H ALA 131 H ALA 131 -22.061 -0.373 12.493 1006 HA ALA 131 HA ALA 131 -23.086 1.772 14.115 1007 1HB ALA 131 1HB ALA 131 -25.166 0.766 13.292 1008 2HB ALA 131 2HB ALA 131 -24.975 0.527 15.029 1009 3HB ALA 131 3HB ALA 131 -24.653 -0.802 13.913 1010 H SER 132 H SER 132 -21.452 1.733 15.537 1011 HA SER 132 HA SER 132 -20.627 -0.836 16.671 1012 1HB SER 132 1HB SER 132 -19.461 1.826 17.403 1013 2HB SER 132 2HB SER 132 -18.705 0.242 17.484 1014 HG SER 132 HG SER 132 -19.298 0.535 14.976 Start of MODEL 8 1 1H MET 1 1H MET 1 22.118 8.795 -4.159 2 HA MET 1 HA MET 1 22.737 10.490 -1.980 3 1HB MET 1 1HB MET 1 22.304 12.337 -3.533 4 2HB MET 1 2HB MET 1 20.718 11.674 -3.897 5 1HG MET 1 1HG MET 1 20.012 12.053 -1.607 6 2HG MET 1 2HG MET 1 21.611 12.675 -1.200 7 1HE MET 1 1HE MET 1 22.613 14.948 -2.236 8 2HE MET 1 2HE MET 1 21.750 15.919 -3.430 9 3HE MET 1 3HE MET 1 22.313 14.302 -3.850 10 H SER 2 H SER 2 19.933 9.395 -3.912 11 HA SER 2 HA SER 2 18.545 8.770 -1.419 12 1HB SER 2 1HB SER 2 17.410 10.084 -3.254 13 2HB SER 2 2HB SER 2 17.444 8.619 -4.231 14 HG SER 2 HG SER 2 15.549 8.408 -3.270 15 H ASN 3 H ASN 3 20.338 7.071 -1.283 16 HA ASN 3 HA ASN 3 19.023 4.561 -1.577 17 1HB ASN 3 1HB ASN 3 19.990 4.816 -3.871 18 2HB ASN 3 2HB ASN 3 21.594 4.909 -3.146 19 1HD2 ASN 3 1HD2 ASN 3 22.310 3.070 -4.213 20 2HD2 ASN 3 2HD2 ASN 3 21.772 1.482 -3.775 21 H ASP 4 H ASP 4 19.950 2.982 -0.253 22 HA ASP 4 HA ASP 4 21.292 2.016 1.292 23 1HB ASP 4 1HB ASP 4 23.126 2.566 -0.277 24 2HB ASP 4 2HB ASP 4 23.343 4.103 0.540 25 H THR 5 H THR 5 19.929 4.874 1.578 26 HA THR 5 HA THR 5 20.257 4.847 4.440 27 HB THR 5 HB THR 5 20.892 7.404 2.963 28 HG1 THR 5 HG1 THR 5 22.443 5.323 3.875 29 1HG2 THR 5 1HG2 THR 5 19.730 7.781 5.085 30 2HG2 THR 5 2HG2 THR 5 21.416 8.286 5.185 31 3HG2 THR 5 3HG2 THR 5 20.908 6.763 5.913 32 HA PRO 6 HA PRO 6 16.617 7.831 3.553 33 1HB PRO 6 1HB PRO 6 16.186 7.852 0.644 34 2HB PRO 6 2HB PRO 6 16.333 9.210 1.764 35 1HG PRO 6 1HG PRO 6 18.258 8.640 -0.015 36 2HG PRO 6 2HG PRO 6 18.630 9.274 1.599 37 1HD PRO 6 1HD PRO 6 18.756 6.447 0.603 38 2HD PRO 6 2HD PRO 6 19.927 7.337 1.591 39 H PHE 7 H PHE 7 16.318 5.909 0.576 40 HA PHE 7 HA PHE 7 13.779 4.886 1.170 41 1HB PHE 7 1HB PHE 7 14.651 4.887 -1.101 42 2HB PHE 7 2HB PHE 7 15.951 3.797 -0.637 43 HD1 PHE 7 HD1 PHE 7 12.278 4.049 -1.030 44 HD2 PHE 7 HD2 PHE 7 15.651 1.468 -0.695 45 HE1 PHE 7 HE1 PHE 7 10.867 2.129 -1.637 46 HE2 PHE 7 HE2 PHE 7 14.242 -0.456 -1.299 47 HZ PHE 7 HZ PHE 7 11.847 -0.127 -1.772 48 H ASP 8 H ASP 8 16.991 3.758 1.922 49 HA ASP 8 HA ASP 8 16.433 1.121 2.687 50 1HB ASP 8 1HB ASP 8 18.696 2.101 2.329 51 2HB ASP 8 2HB ASP 8 18.517 2.979 3.833 52 H ALA 9 H ALA 9 16.817 4.027 4.662 53 HA ALA 9 HA ALA 9 16.099 2.761 7.099 54 1HB ALA 9 1HB ALA 9 15.984 4.993 8.049 55 2HB ALA 9 2HB ALA 9 15.974 5.705 6.437 56 3HB ALA 9 3HB ALA 9 17.401 4.845 7.014 57 H LEU 10 H LEU 10 14.208 4.709 4.792 58 HA LEU 10 HA LEU 10 11.810 4.724 6.245 59 1HB LEU 10 1HB LEU 10 12.643 5.273 3.501 60 2HB LEU 10 2HB LEU 10 11.007 4.657 3.617 61 HG LEU 10 HG LEU 10 11.044 7.104 3.625 62 1HD1 LEU 10 1HD1 LEU 10 9.685 7.464 5.627 63 2HD1 LEU 10 2HD1 LEU 10 10.233 5.919 6.277 64 3HD1 LEU 10 3HD1 LEU 10 9.253 5.961 4.811 65 1HD2 LEU 10 1HD2 LEU 10 11.985 8.316 5.537 66 2HD2 LEU 10 2HD2 LEU 10 13.228 7.456 4.629 67 3HD2 LEU 10 3HD2 LEU 10 12.647 6.805 6.161 68 H TRP 11 H TRP 11 13.152 2.379 3.990 69 HA TRP 11 HA TRP 11 10.940 0.639 3.912 70 1HB TRP 11 1HB TRP 11 13.063 0.651 2.451 71 2HB TRP 11 2HB TRP 11 13.817 -0.249 3.757 72 HD1 TRP 11 HD1 TRP 11 10.211 -1.130 3.124 73 HE1 TRP 11 HE1 TRP 11 10.077 -3.418 1.959 74 HE3 TRP 11 HE3 TRP 11 15.165 -1.777 2.022 75 HZ2 TRP 11 HZ2 TRP 11 11.829 -5.252 0.738 76 HZ3 TRP 11 HZ3 TRP 11 15.847 -3.831 0.852 77 HH2 TRP 11 HH2 TRP 11 14.209 -5.530 0.224 78 H GLN 12 H GLN 12 13.860 0.676 5.940 79 HA GLN 12 HA GLN 12 13.222 -1.516 7.550 80 1HB GLN 12 1HB GLN 12 14.897 0.931 8.092 81 2HB GLN 12 2HB GLN 12 14.808 -0.436 9.183 82 1HG GLN 12 1HG GLN 12 15.569 -1.876 7.280 83 2HG GLN 12 2HG GLN 12 15.864 -0.397 6.379 84 1HE2 GLN 12 1HE2 GLN 12 17.595 0.888 6.923 85 2HE2 GLN 12 2HE2 GLN 12 18.847 0.363 7.997 86 H ARG 13 H ARG 13 12.252 1.856 7.783 87 HA ARG 13 HA ARG 13 11.036 1.804 10.297 88 1HB ARG 13 1HB ARG 13 10.277 3.336 7.803 89 2HB ARG 13 2HB ARG 13 9.567 3.627 9.382 90 1HG ARG 13 1HG ARG 13 12.502 3.871 8.757 91 2HG ARG 13 2HG ARG 13 11.364 5.219 8.783 92 1HD ARG 13 1HD ARG 13 11.861 3.398 11.133 93 2HD ARG 13 2HD ARG 13 12.708 4.924 10.879 94 HE ARG 13 HE ARG 13 10.246 5.806 10.787 95 1HH1 ARG 13 1HH1 ARG 13 11.596 3.414 12.966 96 2HH1 ARG 13 2HH1 ARG 13 10.472 3.767 14.247 97 1HH2 ARG 13 1HH2 ARG 13 8.790 6.292 12.460 98 2HH2 ARG 13 2HH2 ARG 13 8.875 5.421 13.967 99 H MET 14 H MET 14 9.602 1.200 7.102 100 HA MET 14 HA MET 14 7.079 0.391 8.033 101 1HB MET 14 1HB MET 14 8.514 -0.378 5.488 102 2HB MET 14 2HB MET 14 6.800 -0.614 5.793 103 1HG MET 14 1HG MET 14 6.594 1.856 6.087 104 2HG MET 14 2HG MET 14 8.268 1.998 5.557 105 1HE MET 14 1HE MET 14 8.058 0.678 1.867 106 2HE MET 14 2HE MET 14 8.450 -0.256 3.311 107 3HE MET 14 3HE MET 14 9.107 1.367 3.106 108 H LEU 15 H LEU 15 10.077 -1.357 7.547 109 HA LEU 15 HA LEU 15 9.157 -3.985 7.849 110 1HB LEU 15 1HB LEU 15 11.726 -2.577 8.113 111 2HB LEU 15 2HB LEU 15 11.601 -4.030 9.083 112 HG LEU 15 HG LEU 15 12.670 -4.378 6.865 113 1HD1 LEU 15 1HD1 LEU 15 11.648 -6.240 8.029 114 2HD1 LEU 15 2HD1 LEU 15 11.399 -6.392 6.291 115 3HD1 LEU 15 3HD1 LEU 15 10.079 -5.845 7.326 116 1HD2 LEU 15 1HD2 LEU 15 9.917 -3.764 5.816 117 2HD2 LEU 15 2HD2 LEU 15 11.252 -4.423 4.871 118 3HD2 LEU 15 3HD2 LEU 15 11.371 -2.802 5.558 119 H ALA 16 H ALA 16 9.982 -1.529 10.236 120 HA ALA 16 HA ALA 16 9.850 -3.203 12.512 121 1HB ALA 16 1HB ALA 16 9.803 -1.137 13.802 122 2HB ALA 16 2HB ALA 16 9.461 -0.217 12.337 123 3HB ALA 16 3HB ALA 16 11.007 -1.045 12.516 124 H ARG 17 H ARG 17 7.430 -1.539 10.644 125 HA ARG 17 HA ARG 17 5.356 -1.700 12.602 126 1HB ARG 17 1HB ARG 17 5.309 -1.192 9.631 127 2HB ARG 17 2HB ARG 17 3.879 -1.132 10.653 128 1HG ARG 17 1HG ARG 17 6.327 0.595 10.950 129 2HG ARG 17 2HG ARG 17 4.786 1.092 10.253 130 1HD ARG 17 1HD ARG 17 3.695 0.553 12.407 131 2HD ARG 17 2HD ARG 17 5.273 0.187 13.088 132 HE ARG 17 HE ARG 17 5.536 2.732 12.126 133 1HH1 ARG 17 1HH1 ARG 17 3.327 1.147 14.334 134 2HH1 ARG 17 2HH1 ARG 17 3.057 2.566 15.300 135 1HH2 ARG 17 1HH2 ARG 17 5.183 4.614 13.390 136 2HH2 ARG 17 2HH2 ARG 17 4.127 4.537 14.769 137 H GLY 18 H GLY 18 6.847 -4.044 10.753 138 1HA GLY 18 1HA GLY 18 6.304 -6.338 11.026 139 2HA GLY 18 2HA GLY 18 4.634 -5.881 11.327 140 H TRP 19 H TRP 19 6.013 -4.269 8.687 141 HA TRP 19 HA TRP 19 4.385 -5.848 6.873 142 1HB TRP 19 1HB TRP 19 5.908 -3.267 6.438 143 2HB TRP 19 2HB TRP 19 4.874 -4.042 5.239 144 HD1 TRP 19 HD1 TRP 19 2.667 -4.775 7.692 145 HE1 TRP 19 HE1 TRP 19 1.044 -2.891 8.342 146 HE3 TRP 19 HE3 TRP 19 5.253 -0.795 5.798 147 HZ2 TRP 19 HZ2 TRP 19 0.877 -0.087 8.085 148 HZ3 TRP 19 HZ3 TRP 19 4.287 1.458 6.041 149 HH2 TRP 19 HH2 TRP 19 2.142 1.801 7.160 150 H THR 20 H THR 20 5.178 -7.399 5.670 151 HA THR 20 HA THR 20 7.990 -8.006 5.863 152 HB THR 20 HB THR 20 7.165 -10.078 4.521 153 HG1 THR 20 HG1 THR 20 5.157 -9.328 3.878 154 1HG2 THR 20 1HG2 THR 20 6.364 -11.129 6.579 155 2HG2 THR 20 2HG2 THR 20 6.142 -9.543 7.316 156 3HG2 THR 20 3HG2 THR 20 7.761 -10.106 6.907 157 HA PRO 21 HA PRO 21 9.007 -6.613 1.731 158 1HB PRO 21 1HB PRO 21 11.502 -7.619 1.629 159 2HB PRO 21 2HB PRO 21 11.103 -6.207 2.616 160 1HG PRO 21 1HG PRO 21 11.463 -9.059 3.443 161 2HG PRO 21 2HG PRO 21 12.010 -7.580 4.253 162 1HD PRO 21 1HD PRO 21 9.772 -8.984 4.981 163 2HD PRO 21 2HD PRO 21 9.990 -7.247 5.267 164 H VAL 22 H VAL 22 9.208 -7.538 -0.345 165 HA VAL 22 HA VAL 22 9.277 -10.428 -0.609 166 HB VAL 22 HB VAL 22 6.919 -9.865 0.033 167 1HG1 VAL 22 1HG1 VAL 22 5.463 -8.806 -1.612 168 2HG1 VAL 22 2HG1 VAL 22 6.857 -8.488 -2.645 169 3HG1 VAL 22 3HG1 VAL 22 6.732 -7.708 -1.067 170 1HG2 VAL 22 1HG2 VAL 22 7.284 -11.038 -2.719 171 2HG2 VAL 22 2HG2 VAL 22 5.862 -11.235 -1.691 172 3HG2 VAL 22 3HG2 VAL 22 7.416 -11.906 -1.186 173 H SER 23 H SER 23 9.431 -11.135 -2.817 174 HA SER 23 HA SER 23 10.297 -9.028 -4.663 175 1HB SER 23 1HB SER 23 11.191 -10.966 -6.005 176 2HB SER 23 2HB SER 23 11.905 -10.801 -4.401 177 HG SER 23 HG SER 23 11.134 -12.681 -3.887 178 H GLU 24 H GLU 24 9.687 -9.378 -7.010 179 HA GLU 24 HA GLU 24 6.942 -9.079 -7.291 180 1HB GLU 24 1HB GLU 24 8.825 -8.393 -8.893 181 2HB GLU 24 2HB GLU 24 8.715 -10.026 -9.534 182 1HG GLU 24 1HG GLU 24 6.178 -9.436 -9.761 183 2HG GLU 24 2HG GLU 24 6.768 -7.782 -9.705 184 H SER 25 H SER 25 8.925 -11.969 -7.854 185 HA SER 25 HA SER 25 6.781 -13.528 -8.900 186 1HB SER 25 1HB SER 25 9.416 -14.465 -7.750 187 2HB SER 25 2HB SER 25 8.353 -15.381 -8.816 188 HG SER 25 HG SER 25 8.690 -13.654 -10.380 189 H ARG 26 H ARG 26 8.030 -12.947 -5.689 190 HA ARG 26 HA ARG 26 6.634 -15.225 -4.563 191 1HB ARG 26 1HB ARG 26 8.326 -13.050 -3.343 192 2HB ARG 26 2HB ARG 26 7.501 -14.264 -2.378 193 1HG ARG 26 1HG ARG 26 9.434 -14.969 -4.569 194 2HG ARG 26 2HG ARG 26 9.929 -14.704 -2.897 195 1HD ARG 26 1HD ARG 26 7.842 -16.706 -3.745 196 2HD ARG 26 2HD ARG 26 9.544 -17.099 -3.497 197 HE ARG 26 HE ARG 26 9.067 -16.097 -1.146 198 1HH1 ARG 26 1HH1 ARG 26 6.901 -18.094 -3.043 199 2HH1 ARG 26 2HH1 ARG 26 6.083 -18.743 -1.660 200 1HH2 ARG 26 1HH2 ARG 26 7.978 -16.956 0.682 201 2HH2 ARG 26 2HH2 ARG 26 6.680 -18.097 0.439 202 H LEU 27 H LEU 27 6.125 -11.857 -5.075 203 HA LEU 27 HA LEU 27 4.136 -11.335 -3.173 204 1HB LEU 27 1HB LEU 27 5.299 -9.664 -4.648 205 2HB LEU 27 2HB LEU 27 4.319 -10.231 -5.980 206 HG LEU 27 HG LEU 27 3.628 -8.056 -4.807 207 1HD1 LEU 27 1HD1 LEU 27 2.197 -9.171 -6.414 208 2HD1 LEU 27 2HD1 LEU 27 1.238 -8.544 -5.073 209 3HD1 LEU 27 3HD1 LEU 27 1.609 -10.265 -5.165 210 1HD2 LEU 27 1HD2 LEU 27 3.849 -8.836 -2.511 211 2HD2 LEU 27 2HD2 LEU 27 2.588 -10.037 -2.784 212 3HD2 LEU 27 3HD2 LEU 27 2.199 -8.317 -2.843 213 H ASP 28 H ASP 28 4.011 -12.802 -6.366 214 HA ASP 28 HA ASP 28 1.214 -12.977 -6.639 215 1HB ASP 28 1HB ASP 28 2.728 -13.323 -8.522 216 2HB ASP 28 2HB ASP 28 3.392 -14.761 -7.754 217 H ASP 29 H ASP 29 3.543 -14.954 -4.965 218 HA ASP 29 HA ASP 29 1.906 -17.236 -4.534 219 1HB ASP 29 1HB ASP 29 4.464 -16.985 -4.279 220 2HB ASP 29 2HB ASP 29 4.109 -16.325 -2.696 221 H TRP 30 H TRP 30 2.907 -14.604 -2.399 222 HA TRP 30 HA TRP 30 1.199 -15.219 -0.263 223 1HB TRP 30 1HB TRP 30 2.324 -12.546 -1.111 224 2HB TRP 30 2HB TRP 30 1.538 -12.849 0.432 225 HD1 TRP 30 HD1 TRP 30 3.507 -15.842 -0.210 226 HE1 TRP 30 HE1 TRP 30 5.785 -15.741 0.981 227 HE3 TRP 30 HE3 TRP 30 3.602 -10.863 0.957 228 HZ2 TRP 30 HZ2 TRP 30 7.402 -13.817 2.249 229 HZ3 TRP 30 HZ3 TRP 30 5.550 -9.977 2.170 230 HH2 TRP 30 HH2 TRP 30 7.410 -11.424 2.802 231 H LEU 31 H LEU 31 0.669 -13.372 -3.184 232 HA LEU 31 HA LEU 31 -1.746 -12.123 -2.468 233 1HB LEU 31 1HB LEU 31 -0.370 -11.460 -4.390 234 2HB LEU 31 2HB LEU 31 -0.769 -12.965 -5.194 235 HG LEU 31 HG LEU 31 -3.155 -12.275 -5.228 236 1HD1 LEU 31 1HD1 LEU 31 -2.080 -9.647 -4.216 237 2HD1 LEU 31 2HD1 LEU 31 -3.112 -10.757 -3.318 238 3HD1 LEU 31 3HD1 LEU 31 -3.728 -9.953 -4.761 239 1HD2 LEU 31 1HD2 LEU 31 -1.713 -11.912 -7.163 240 2HD2 LEU 31 2HD2 LEU 31 -1.233 -10.342 -6.519 241 3HD2 LEU 31 3HD2 LEU 31 -2.906 -10.622 -7.004 242 H THR 32 H THR 32 -1.102 -15.259 -4.025 243 HA THR 32 HA THR 32 -3.882 -15.782 -4.437 244 HB THR 32 HB THR 32 -2.082 -16.775 -5.869 245 HG1 THR 32 HG1 THR 32 -3.749 -18.729 -4.608 246 1HG2 THR 32 1HG2 THR 32 -0.956 -18.810 -5.098 247 2HG2 THR 32 2HG2 THR 32 -1.644 -18.581 -3.491 248 3HG2 THR 32 3HG2 THR 32 -0.491 -17.410 -4.132 249 H GLN 33 H GLN 33 -1.629 -16.331 -1.850 250 HA GLN 33 HA GLN 33 -3.024 -18.342 -0.456 251 1HB GLN 33 1HB GLN 33 -1.203 -16.160 0.564 252 2HB GLN 33 2HB GLN 33 -1.773 -17.510 1.530 253 1HG GLN 33 1HG GLN 33 -0.629 -19.072 0.063 254 2HG GLN 33 2HG GLN 33 -0.083 -17.732 -0.948 255 1HE2 GLN 33 1HE2 GLN 33 1.460 -19.714 0.537 256 2HE2 GLN 33 2HE2 GLN 33 2.483 -18.815 1.606 257 H ALA 34 H ALA 34 -3.172 -14.815 -0.330 258 HA ALA 34 HA ALA 34 -5.242 -14.898 1.717 259 1HB ALA 34 1HB ALA 34 -4.997 -12.479 1.782 260 2HB ALA 34 2HB ALA 34 -3.924 -12.537 0.382 261 3HB ALA 34 3HB ALA 34 -3.421 -13.264 1.907 262 HA PRO 35 HA PRO 35 -8.582 -13.968 -1.162 263 1HB PRO 35 1HB PRO 35 -9.693 -12.060 0.767 264 2HB PRO 35 2HB PRO 35 -10.373 -13.585 0.191 265 1HG PRO 35 1HG PRO 35 -9.451 -13.289 2.708 266 2HG PRO 35 2HG PRO 35 -9.331 -14.823 1.827 267 1HD PRO 35 1HD PRO 35 -7.226 -12.739 2.301 268 2HD PRO 35 2HD PRO 35 -7.097 -14.511 2.370 269 H ASP 36 H ASP 36 -7.317 -11.219 0.695 270 HA ASP 36 HA ASP 36 -6.800 -9.743 -1.745 271 1HB ASP 36 1HB ASP 36 -8.735 -8.803 0.368 272 2HB ASP 36 2HB ASP 36 -7.854 -7.660 -0.640 273 H GLY 37 H GLY 37 -5.926 -7.410 -0.885 274 1HA GLY 37 1HA GLY 37 -4.543 -7.263 1.520 275 2HA GLY 37 2HA GLY 37 -3.478 -8.037 0.357 276 H VAL 38 H VAL 38 -2.196 -6.080 0.870 277 HA VAL 38 HA VAL 38 -2.825 -3.945 -1.036 278 HB VAL 38 HB VAL 38 -1.992 -2.239 0.635 279 1HG1 VAL 38 1HG1 VAL 38 -4.339 -2.372 0.083 280 2HG1 VAL 38 2HG1 VAL 38 -4.159 -2.053 1.807 281 3HG1 VAL 38 3HG1 VAL 38 -4.572 -3.674 1.249 282 1HG2 VAL 38 1HG2 VAL 38 -2.543 -4.446 2.613 283 2HG2 VAL 38 2HG2 VAL 38 -2.123 -2.777 3.003 284 3HG2 VAL 38 3HG2 VAL 38 -0.950 -3.817 2.197 285 H VAL 39 H VAL 39 -1.097 -3.242 -2.139 286 HA VAL 39 HA VAL 39 1.580 -4.099 -1.229 287 HB VAL 39 HB VAL 39 0.625 -3.952 -4.100 288 1HG1 VAL 39 1HG1 VAL 39 2.757 -5.017 -4.647 289 2HG1 VAL 39 2HG1 VAL 39 3.241 -4.917 -2.954 290 3HG1 VAL 39 3HG1 VAL 39 2.987 -3.443 -3.885 291 1HG2 VAL 39 1HG2 VAL 39 0.846 -6.389 -4.107 292 2HG2 VAL 39 2HG2 VAL 39 -0.395 -5.832 -2.982 293 3HG2 VAL 39 3HG2 VAL 39 1.175 -6.356 -2.374 294 H LEU 40 H LEU 40 3.134 -2.546 -1.200 295 HA LEU 40 HA LEU 40 2.271 0.147 -1.927 296 1HB LEU 40 1HB LEU 40 4.486 -0.876 -0.167 297 2HB LEU 40 2HB LEU 40 4.397 0.800 -0.668 298 HG LEU 40 HG LEU 40 2.098 0.877 0.387 299 1HD1 LEU 40 1HD1 LEU 40 1.638 -1.502 0.508 300 2HD1 LEU 40 2HD1 LEU 40 1.608 -0.779 2.115 301 3HD1 LEU 40 3HD1 LEU 40 3.005 -1.724 1.600 302 1HD2 LEU 40 1HD2 LEU 40 4.074 1.859 1.421 303 2HD2 LEU 40 2HD2 LEU 40 4.447 0.309 2.183 304 3HD2 LEU 40 3HD2 LEU 40 2.980 1.182 2.629 305 H LEU 41 H LEU 41 3.100 1.269 -3.555 306 HA LEU 41 HA LEU 41 5.377 0.117 -5.032 307 1HB LEU 41 1HB LEU 41 3.026 0.524 -6.084 308 2HB LEU 41 2HB LEU 41 3.496 2.210 -6.096 309 HG LEU 41 HG LEU 41 5.064 0.029 -7.483 310 1HD1 LEU 41 1HD1 LEU 41 4.061 0.877 -9.550 311 2HD1 LEU 41 2HD1 LEU 41 3.034 1.955 -8.608 312 3HD1 LEU 41 3HD1 LEU 41 2.847 0.208 -8.462 313 1HD2 LEU 41 1HD2 LEU 41 5.163 3.038 -7.715 314 2HD2 LEU 41 2HD2 LEU 41 6.091 1.898 -8.690 315 3HD2 LEU 41 3HD2 LEU 41 6.382 2.016 -6.956 316 H SER 42 H SER 42 7.256 1.126 -4.687 317 HA SER 42 HA SER 42 7.215 3.981 -3.989 318 1HB SER 42 1HB SER 42 9.327 1.911 -3.351 319 2HB SER 42 2HB SER 42 9.336 3.597 -2.831 320 HG SER 42 HG SER 42 7.850 3.169 -1.366 321 H SER 43 H SER 43 8.281 5.395 -5.229 322 HA SER 43 HA SER 43 10.505 4.778 -6.867 323 1HB SER 43 1HB SER 43 8.558 3.756 -8.188 324 2HB SER 43 2HB SER 43 7.988 5.408 -8.430 325 HG SER 43 HG SER 43 9.792 4.094 -9.838 326 H ASP 44 H ASP 44 10.263 6.895 -8.737 327 HA ASP 44 HA ASP 44 10.759 9.073 -6.947 328 1HB ASP 44 1HB ASP 44 11.375 10.383 -8.895 329 2HB ASP 44 2HB ASP 44 12.115 8.793 -8.980 330 HA PRO 45 HA PRO 45 6.638 10.747 -7.333 331 1HB PRO 45 1HB PRO 45 6.565 11.785 -4.864 332 2HB PRO 45 2HB PRO 45 6.447 10.043 -5.142 333 1HG PRO 45 1HG PRO 45 8.658 11.605 -4.001 334 2HG PRO 45 2HG PRO 45 8.321 9.874 -3.862 335 1HD PRO 45 1HD PRO 45 10.149 11.240 -5.667 336 2HD PRO 45 2HD PRO 45 9.947 9.495 -5.401 337 H LYS 46 H LYS 46 5.951 12.729 -8.007 338 HA LYS 46 HA LYS 46 7.641 15.043 -7.388 339 1HB LYS 46 1HB LYS 46 6.760 14.237 -9.832 340 2HB LYS 46 2HB LYS 46 5.470 15.337 -9.372 341 1HG LYS 46 1HG LYS 46 8.398 16.050 -9.378 342 2HG LYS 46 2HG LYS 46 7.274 16.411 -10.688 343 1HD LYS 46 1HD LYS 46 6.199 18.038 -9.502 344 2HD LYS 46 2HD LYS 46 6.546 17.283 -7.945 345 1HE LYS 46 1HE LYS 46 7.776 19.383 -8.232 346 2HE LYS 46 2HE LYS 46 8.858 18.001 -8.078 347 1HZ LYS 46 1HZ LYS 46 9.292 18.045 -10.397 348 2HZ LYS 46 2HZ LYS 46 9.463 19.634 -9.835 349 3HZ LYS 46 3HZ LYS 46 8.068 19.182 -10.685 350 H ARG 47 H ARG 47 4.542 13.563 -7.030 351 HA ARG 47 HA ARG 47 3.222 15.835 -5.884 352 1HB ARG 47 1HB ARG 47 1.942 13.991 -6.884 353 2HB ARG 47 2HB ARG 47 2.591 12.877 -5.689 354 1HG ARG 47 1HG ARG 47 0.384 13.444 -5.025 355 2HG ARG 47 2HG ARG 47 1.494 14.261 -3.919 356 1HD ARG 47 1HD ARG 47 1.274 16.267 -5.503 357 2HD ARG 47 2HD ARG 47 -0.129 15.424 -6.159 358 HE ARG 47 HE ARG 47 0.120 16.195 -3.318 359 1HH1 ARG 47 1HH1 ARG 47 -1.791 15.772 -6.229 360 2HH1 ARG 47 2HH1 ARG 47 -3.228 16.464 -5.540 361 1HH2 ARG 47 1HH2 ARG 47 -1.753 17.140 -2.430 362 2HH2 ARG 47 2HH2 ARG 47 -3.201 17.249 -3.383 363 H THR 48 H THR 48 4.862 12.968 -4.668 364 HA THR 48 HA THR 48 4.726 13.910 -1.917 365 HB THR 48 HB THR 48 5.982 11.381 -3.013 366 HG1 THR 48 HG1 THR 48 3.993 10.398 -2.598 367 1HG2 THR 48 1HG2 THR 48 5.631 10.520 -0.733 368 2HG2 THR 48 2HG2 THR 48 5.020 12.100 -0.240 369 3HG2 THR 48 3HG2 THR 48 6.701 11.923 -0.746 370 HA PRO 49 HA PRO 49 8.588 16.099 -1.866 371 1HB PRO 49 1HB PRO 49 9.028 14.381 0.553 372 2HB PRO 49 2HB PRO 49 9.343 16.111 0.335 373 1HG PRO 49 1HG PRO 49 7.152 15.307 1.597 374 2HG PRO 49 2HG PRO 49 7.092 16.668 0.462 375 1HD PRO 49 1HD PRO 49 6.069 13.896 0.145 376 2HD PRO 49 2HD PRO 49 5.487 15.409 -0.578 377 H GLU 50 H GLU 50 9.385 12.875 -0.487 378 HA GLU 50 HA GLU 50 10.828 12.209 -2.890 379 1HB GLU 50 1HB GLU 50 13.020 12.014 -1.956 380 2HB GLU 50 2HB GLU 50 12.434 13.631 -1.634 381 1HG GLU 50 1HG GLU 50 12.631 11.362 0.336 382 2HG GLU 50 2HG GLU 50 13.671 12.779 0.252 383 H VAL 51 H VAL 51 10.779 11.126 0.528 384 HA VAL 51 HA VAL 51 9.856 8.490 -0.303 385 HB VAL 51 HB VAL 51 12.504 8.769 1.141 386 1HG1 VAL 51 1HG1 VAL 51 12.669 6.346 0.848 387 2HG1 VAL 51 2HG1 VAL 51 11.068 6.331 0.113 388 3HG1 VAL 51 3HG1 VAL 51 11.256 6.796 1.803 389 1HG2 VAL 51 1HG2 VAL 51 11.984 7.905 -1.701 390 2HG2 VAL 51 2HG2 VAL 51 13.537 7.813 -0.872 391 3HG2 VAL 51 3HG2 VAL 51 12.799 9.383 -1.189 392 H SER 52 H SER 52 10.587 10.837 2.194 393 HA SER 52 HA SER 52 10.306 9.058 4.397 394 1HB SER 52 1HB SER 52 11.638 11.227 4.335 395 2HB SER 52 2HB SER 52 10.097 12.062 4.522 396 HG SER 52 HG SER 52 9.874 10.514 6.418 397 H ASP 53 H ASP 53 8.021 10.772 2.492 398 HA ASP 53 HA ASP 53 5.978 10.692 4.555 399 1HB ASP 53 1HB ASP 53 6.065 11.786 1.756 400 2HB ASP 53 2HB ASP 53 4.536 11.582 2.599 401 H ASN 54 H ASN 54 5.489 8.599 4.937 402 HA ASN 54 HA ASN 54 4.310 7.119 2.687 403 1HB ASN 54 1HB ASN 54 5.120 5.028 3.623 404 2HB ASN 54 2HB ASN 54 6.475 6.118 3.354 405 1HD2 ASN 54 1HD2 ASN 54 6.158 3.811 5.151 406 2HD2 ASN 54 2HD2 ASN 54 6.518 4.401 6.733 407 HA PRO 55 HA PRO 55 0.774 6.785 5.293 408 1HB PRO 55 1HB PRO 55 -0.505 4.700 4.165 409 2HB PRO 55 2HB PRO 55 -0.338 6.260 3.350 410 1HG PRO 55 1HG PRO 55 1.161 3.719 2.915 411 2HG PRO 55 2HG PRO 55 0.633 4.931 1.736 412 1HD PRO 55 1HD PRO 55 3.200 4.709 2.772 413 2HD PRO 55 2HD PRO 55 2.531 6.157 1.997 414 H VAL 56 H VAL 56 1.571 6.223 7.321 415 HA VAL 56 HA VAL 56 2.023 3.392 7.910 416 HB VAL 56 HB VAL 56 2.303 5.776 9.748 417 1HG1 VAL 56 1HG1 VAL 56 3.288 2.943 10.033 418 2HG1 VAL 56 2HG1 VAL 56 1.969 3.682 10.937 419 3HG1 VAL 56 3HG1 VAL 56 3.618 4.267 11.150 420 1HG2 VAL 56 1HG2 VAL 56 4.716 5.574 9.365 421 2HG2 VAL 56 2HG2 VAL 56 3.846 5.960 7.882 422 3HG2 VAL 56 3HG2 VAL 56 4.414 4.316 8.164 423 H MET 57 H MET 57 -0.284 5.922 8.364 424 HA MET 57 HA MET 57 -1.731 4.916 10.548 425 1HB MET 57 1HB MET 57 -3.507 6.406 9.900 426 2HB MET 57 2HB MET 57 -1.969 7.217 9.666 427 1HG MET 57 1HG MET 57 -3.558 5.918 7.469 428 2HG MET 57 2HG MET 57 -3.627 7.626 7.881 429 1HE MET 57 1HE MET 57 -3.058 8.382 5.458 430 2HE MET 57 2HE MET 57 -3.049 6.694 4.944 431 3HE MET 57 3HE MET 57 -1.705 7.757 4.515 432 H ILE 58 H ILE 58 -1.602 3.937 7.264 433 HA ILE 58 HA ILE 58 -4.009 2.655 6.835 434 HB ILE 58 HB ILE 58 -1.232 1.841 5.973 435 1HG1 ILE 58 1HG1 ILE 58 -1.891 4.035 5.172 436 2HG1 ILE 58 2HG1 ILE 58 -1.891 2.893 3.835 437 1HG2 ILE 58 1HG2 ILE 58 -2.302 0.517 4.213 438 2HG2 ILE 58 2HG2 ILE 58 -3.879 0.854 4.928 439 3HG2 ILE 58 3HG2 ILE 58 -2.687 -0.088 5.823 440 1HD1 ILE 58 1HD1 ILE 58 -4.320 3.866 5.321 441 2HD1 ILE 58 2HD1 ILE 58 -4.321 2.719 3.981 442 3HD1 ILE 58 3HD1 ILE 58 -3.801 4.382 3.716 443 H GLY 59 H GLY 59 -1.241 1.601 8.746 444 1HA GLY 59 1HA GLY 59 -1.971 -1.090 9.111 445 2HA GLY 59 2HA GLY 59 -0.959 -0.151 10.198 446 H GLU 60 H GLU 60 -2.793 1.802 10.989 447 HA GLU 60 HA GLU 60 -4.178 0.426 13.051 448 1HB GLU 60 1HB GLU 60 -4.350 3.302 12.129 449 2HB GLU 60 2HB GLU 60 -5.053 2.680 13.615 450 1HG GLU 60 1HG GLU 60 -2.119 2.536 12.989 451 2HG GLU 60 2HG GLU 60 -2.864 3.875 13.861 452 H LEU 61 H LEU 61 -5.047 1.646 9.932 453 HA LEU 61 HA LEU 61 -7.867 1.723 10.322 454 1HB LEU 61 1HB LEU 61 -6.676 3.070 8.658 455 2HB LEU 61 2HB LEU 61 -6.211 1.613 7.805 456 HG LEU 61 HG LEU 61 -8.540 1.175 7.229 457 1HD1 LEU 61 1HD1 LEU 61 -9.127 3.766 8.666 458 2HD1 LEU 61 2HD1 LEU 61 -9.601 2.152 9.204 459 3HD1 LEU 61 3HD1 LEU 61 -10.277 2.821 7.718 460 1HD2 LEU 61 1HD2 LEU 61 -7.665 3.992 6.605 461 2HD2 LEU 61 2HD2 LEU 61 -8.839 3.043 5.690 462 3HD2 LEU 61 3HD2 LEU 61 -7.150 2.538 5.753 463 H LEU 62 H LEU 62 -5.713 -0.515 8.608 464 HA LEU 62 HA LEU 62 -7.686 -2.260 7.679 465 1HB LEU 62 1HB LEU 62 -4.750 -2.373 8.008 466 2HB LEU 62 2HB LEU 62 -5.573 -3.913 7.848 467 HG LEU 62 HG LEU 62 -6.492 -3.245 5.697 468 1HD1 LEU 62 1HD1 LEU 62 -6.717 -0.839 6.169 469 2HD1 LEU 62 2HD1 LEU 62 -5.907 -1.158 4.638 470 3HD1 LEU 62 3HD1 LEU 62 -4.966 -0.670 6.048 471 1HD2 LEU 62 1HD2 LEU 62 -4.299 -4.309 5.741 472 2HD2 LEU 62 2HD2 LEU 62 -3.525 -2.730 5.889 473 3HD2 LEU 62 3HD2 LEU 62 -4.410 -3.146 4.420 474 H ARG 63 H ARG 63 -6.272 -1.993 10.820 475 HA ARG 63 HA ARG 63 -6.424 -4.610 11.740 476 1HB ARG 63 1HB ARG 63 -6.599 -1.975 13.170 477 2HB ARG 63 2HB ARG 63 -6.646 -3.506 14.032 478 1HG ARG 63 1HG ARG 63 -4.414 -2.597 12.228 479 2HG ARG 63 2HG ARG 63 -4.405 -2.522 13.990 480 1HD ARG 63 1HD ARG 63 -4.738 -5.059 12.397 481 2HD ARG 63 2HD ARG 63 -3.201 -4.491 13.047 482 HE ARG 63 HE ARG 63 -4.309 -4.651 15.289 483 1HH1 ARG 63 1HH1 ARG 63 -5.385 -6.641 12.608 484 2HH1 ARG 63 2HH1 ARG 63 -6.008 -7.903 13.628 485 1HH2 ARG 63 1HH2 ARG 63 -5.107 -6.322 16.622 486 2HH2 ARG 63 2HH2 ARG 63 -5.831 -7.724 15.906 487 H GLU 64 H GLU 64 -9.068 -2.564 10.976 488 HA GLU 64 HA GLU 64 -10.888 -3.548 12.942 489 1HB GLU 64 1HB GLU 64 -12.620 -2.447 11.707 490 2HB GLU 64 2HB GLU 64 -11.205 -1.403 11.705 491 1HG GLU 64 1HG GLU 64 -10.736 -1.861 9.451 492 2HG GLU 64 2HG GLU 64 -11.823 -3.253 9.425 493 H PHE 65 H PHE 65 -9.473 -5.105 10.359 494 HA PHE 65 HA PHE 65 -11.655 -6.479 9.209 495 1HB PHE 65 1HB PHE 65 -10.068 -7.863 8.110 496 2HB PHE 65 2HB PHE 65 -9.358 -6.260 8.197 497 HD1 PHE 65 HD1 PHE 65 -7.397 -5.845 9.555 498 HD2 PHE 65 HD2 PHE 65 -9.151 -9.716 9.376 499 HE1 PHE 65 HE1 PHE 65 -5.361 -6.810 10.535 500 HE2 PHE 65 HE2 PHE 65 -7.118 -10.688 10.356 501 HZ PHE 65 HZ PHE 65 -5.218 -9.233 10.938 502 HA PRO 66 HA PRO 66 -12.232 -9.605 12.336 503 1HB PRO 66 1HB PRO 66 -14.569 -10.452 10.939 504 2HB PRO 66 2HB PRO 66 -14.483 -9.465 12.399 505 1HG PRO 66 1HG PRO 66 -15.373 -8.573 9.937 506 2HG PRO 66 2HG PRO 66 -14.792 -7.529 11.244 507 1HD PRO 66 1HD PRO 66 -13.346 -8.502 8.808 508 2HD PRO 66 2HD PRO 66 -13.286 -6.908 9.596 509 H ASP 67 H ASP 67 -13.215 -10.464 9.003 510 HA ASP 67 HA ASP 67 -11.978 -13.094 9.461 511 1HB ASP 67 1HB ASP 67 -14.314 -13.363 9.150 512 2HB ASP 67 2HB ASP 67 -14.335 -12.251 7.790 513 H TYR 68 H TYR 68 -11.963 -10.334 7.439 514 HA TYR 68 HA TYR 68 -10.649 -11.655 5.222 515 1HB TYR 68 1HB TYR 68 -11.707 -8.948 5.748 516 2HB TYR 68 2HB TYR 68 -10.319 -9.026 4.673 517 HD1 TYR 68 HD1 TYR 68 -10.488 -10.628 2.668 518 HD2 TYR 68 HD2 TYR 68 -13.854 -9.334 4.923 519 HE1 TYR 68 HE1 TYR 68 -11.956 -11.190 0.780 520 HE2 TYR 68 HE2 TYR 68 -15.337 -9.891 3.041 521 HH TYR 68 HH TYR 68 -14.310 -11.745 0.370 522 H THR 69 H THR 69 -8.628 -12.353 5.667 523 HA THR 69 HA THR 69 -6.799 -10.744 7.203 524 HB THR 69 HB THR 69 -5.109 -12.451 6.601 525 HG1 THR 69 HG1 THR 69 -6.123 -12.954 4.516 526 1HG2 THR 69 1HG2 THR 69 -6.447 -12.810 8.582 527 2HG2 THR 69 2HG2 THR 69 -6.185 -14.352 7.764 528 3HG2 THR 69 3HG2 THR 69 -7.740 -13.528 7.618 529 H TRP 70 H TRP 70 -6.104 -8.929 6.336 530 HA TRP 70 HA TRP 70 -5.738 -8.563 3.523 531 1HB TRP 70 1HB TRP 70 -5.052 -6.847 5.911 532 2HB TRP 70 2HB TRP 70 -4.743 -6.357 4.249 533 HD1 TRP 70 HD1 TRP 70 -7.611 -6.920 6.720 534 HE1 TRP 70 HE1 TRP 70 -9.732 -5.806 5.774 535 HE3 TRP 70 HE3 TRP 70 -5.865 -5.665 2.090 536 HZ2 TRP 70 HZ2 TRP 70 -10.556 -4.562 3.375 537 HZ3 TRP 70 HZ3 TRP 70 -7.373 -4.515 0.530 538 HH2 TRP 70 HH2 TRP 70 -9.673 -3.978 1.158 539 H GLN 71 H GLN 71 -4.021 -9.175 2.382 540 HA GLN 71 HA GLN 71 -1.592 -9.969 3.756 541 1HB GLN 71 1HB GLN 71 -2.736 -11.011 1.596 542 2HB GLN 71 2HB GLN 71 -1.759 -9.800 0.775 543 1HG GLN 71 1HG GLN 71 -0.482 -11.772 0.778 544 2HG GLN 71 2HG GLN 71 0.228 -10.734 2.015 545 1HE2 GLN 71 1HE2 GLN 71 -1.554 -13.623 1.374 546 2HE2 GLN 71 2HE2 GLN 71 -1.499 -14.280 2.973 547 H VAL 72 H VAL 72 -0.455 -8.251 4.509 548 HA VAL 72 HA VAL 72 -0.155 -5.901 2.780 549 HB VAL 72 HB VAL 72 0.792 -6.218 5.631 550 1HG1 VAL 72 1HG1 VAL 72 0.839 -3.776 5.621 551 2HG1 VAL 72 2HG1 VAL 72 0.313 -3.767 3.939 552 3HG1 VAL 72 3HG1 VAL 72 1.886 -4.441 4.369 553 1HG2 VAL 72 1HG2 VAL 72 -1.222 -4.980 6.294 554 2HG2 VAL 72 2HG2 VAL 72 -1.621 -6.532 5.560 555 3HG2 VAL 72 3HG2 VAL 72 -1.804 -5.047 4.632 556 H ALA 73 H ALA 73 1.478 -6.034 1.395 557 HA ALA 73 HA ALA 73 4.040 -7.095 2.384 558 1HB ALA 73 1HB ALA 73 2.944 -8.772 0.961 559 2HB ALA 73 2HB ALA 73 4.441 -8.165 0.250 560 3HB ALA 73 3HB ALA 73 2.885 -7.596 -0.354 561 H ILE 74 H ILE 74 5.777 -5.909 1.948 562 HA ILE 74 HA ILE 74 5.489 -3.671 0.046 563 HB ILE 74 HB ILE 74 7.308 -2.545 1.338 564 1HG1 ILE 74 1HG1 ILE 74 6.772 -4.762 3.329 565 2HG1 ILE 74 2HG1 ILE 74 8.266 -4.515 2.426 566 1HG2 ILE 74 1HG2 ILE 74 4.983 -1.916 1.654 567 2HG2 ILE 74 2HG2 ILE 74 5.863 -1.809 3.181 568 3HG2 ILE 74 3HG2 ILE 74 4.791 -3.175 2.873 569 1HD1 ILE 74 1HD1 ILE 74 7.125 -2.573 4.421 570 2HD1 ILE 74 2HD1 ILE 74 8.682 -2.462 3.600 571 3HD1 ILE 74 3HD1 ILE 74 8.389 -3.753 4.761 572 H ALA 75 H ALA 75 7.313 -3.226 -1.304 573 HA ALA 75 HA ALA 75 9.190 -5.481 -1.496 574 1HB ALA 75 1HB ALA 75 7.374 -5.840 -3.089 575 2HB ALA 75 2HB ALA 75 8.901 -5.534 -3.914 576 3HB ALA 75 3HB ALA 75 7.686 -4.261 -3.808 577 H ASP 76 H ASP 76 11.053 -5.007 -2.937 578 HA ASP 76 HA ASP 76 12.351 -2.593 -2.365 579 1HB ASP 76 1HB ASP 76 12.828 -4.666 -4.500 580 2HB ASP 76 2HB ASP 76 13.860 -3.258 -4.317 581 H LEU 77 H LEU 77 13.115 -1.019 -3.976 582 HA LEU 77 HA LEU 77 11.010 0.327 -5.208 583 1HB LEU 77 1HB LEU 77 13.293 1.220 -4.503 584 2HB LEU 77 2HB LEU 77 13.911 0.569 -6.007 585 HG LEU 77 HG LEU 77 11.647 2.552 -5.992 586 1HD1 LEU 77 1HD1 LEU 77 14.599 3.159 -6.018 587 2HD1 LEU 77 2HD1 LEU 77 13.469 3.549 -4.721 588 3HD1 LEU 77 3HD1 LEU 77 13.303 4.322 -6.297 589 1HD2 LEU 77 1HD2 LEU 77 13.763 1.848 -8.029 590 2HD2 LEU 77 2HD2 LEU 77 12.501 3.063 -8.232 591 3HD2 LEU 77 3HD2 LEU 77 12.069 1.358 -8.083 592 H GLU 78 H GLU 78 13.524 -1.749 -6.637 593 HA GLU 78 HA GLU 78 12.561 -1.505 -9.293 594 1HB GLU 78 1HB GLU 78 14.331 -3.606 -8.048 595 2HB GLU 78 2HB GLU 78 14.046 -3.433 -9.773 596 1HG GLU 78 1HG GLU 78 14.974 -1.124 -9.615 597 2HG GLU 78 2HG GLU 78 15.412 -1.478 -7.944 598 H GLN 79 H GLN 79 11.616 -3.502 -6.630 599 HA GLN 79 HA GLN 79 10.345 -5.514 -8.240 600 1HB GLN 79 1HB GLN 79 9.987 -4.875 -5.306 601 2HB GLN 79 2HB GLN 79 9.378 -6.307 -6.122 602 1HG GLN 79 1HG GLN 79 12.259 -5.562 -5.689 603 2HG GLN 79 2HG GLN 79 11.366 -6.859 -4.899 604 1HE2 GLN 79 1HE2 GLN 79 13.802 -6.945 -6.500 605 2HE2 GLN 79 2HE2 GLN 79 13.482 -8.027 -7.813 606 H SER 80 H SER 80 9.160 -2.840 -6.196 607 HA SER 80 HA SER 80 6.456 -3.083 -6.947 608 1HB SER 80 1HB SER 80 7.946 -0.627 -5.996 609 2HB SER 80 2HB SER 80 6.195 -0.840 -5.988 610 HG SER 80 HG SER 80 6.448 -1.734 -4.113 611 H GLU 81 H GLU 81 9.140 -1.245 -8.258 612 HA GLU 81 HA GLU 81 7.877 0.311 -10.173 613 1HB GLU 81 1HB GLU 81 10.322 0.304 -9.554 614 2HB GLU 81 2HB GLU 81 10.505 -1.144 -10.522 615 1HG GLU 81 1HG GLU 81 11.241 0.735 -11.794 616 2HG GLU 81 2HG GLU 81 9.751 0.113 -12.501 617 H ALA 82 H ALA 82 9.010 -3.025 -10.366 618 HA ALA 82 HA ALA 82 8.257 -3.453 -13.057 619 1HB ALA 82 1HB ALA 82 9.867 -4.888 -11.810 620 2HB ALA 82 2HB ALA 82 8.600 -5.806 -12.622 621 3HB ALA 82 3HB ALA 82 8.514 -5.541 -10.883 622 H ILE 83 H ILE 83 6.606 -4.090 -9.985 623 HA ILE 83 HA ILE 83 4.434 -5.523 -11.001 624 HB ILE 83 HB ILE 83 4.541 -3.729 -8.572 625 1HG1 ILE 83 1HG1 ILE 83 4.810 -6.734 -8.833 626 2HG1 ILE 83 2HG1 ILE 83 6.153 -5.622 -8.599 627 1HG2 ILE 83 1HG2 ILE 83 2.504 -5.828 -9.316 628 2HG2 ILE 83 2HG2 ILE 83 2.232 -4.088 -9.261 629 3HG2 ILE 83 3HG2 ILE 83 2.582 -4.973 -7.777 630 1HD1 ILE 83 1HD1 ILE 83 5.218 -4.964 -6.437 631 2HD1 ILE 83 2HD1 ILE 83 5.550 -6.694 -6.520 632 3HD1 ILE 83 3HD1 ILE 83 3.896 -6.106 -6.673 633 H GLY 84 H GLY 84 4.732 -2.029 -10.365 634 1HA GLY 84 1HA GLY 84 2.141 -1.364 -11.312 635 2HA GLY 84 2HA GLY 84 3.491 -0.252 -11.129 636 H ASP 85 H ASP 85 5.329 -1.177 -12.851 637 HA ASP 85 HA ASP 85 4.581 -0.075 -15.292 638 1HB ASP 85 1HB ASP 85 6.940 -0.507 -14.383 639 2HB ASP 85 2HB ASP 85 6.742 -2.153 -14.969 640 H ARG 86 H ARG 86 4.921 -3.446 -14.363 641 HA ARG 86 HA ARG 86 4.362 -4.604 -16.852 642 1HB ARG 86 1HB ARG 86 5.530 -5.752 -15.077 643 2HB ARG 86 2HB ARG 86 4.121 -5.660 -14.042 644 1HG ARG 86 1HG ARG 86 2.926 -7.183 -15.529 645 2HG ARG 86 2HG ARG 86 4.349 -7.264 -16.578 646 1HD ARG 86 1HD ARG 86 5.662 -8.245 -14.838 647 2HD ARG 86 2HD ARG 86 4.389 -7.974 -13.652 648 HE ARG 86 HE ARG 86 3.629 -9.665 -15.860 649 1HH1 ARG 86 1HH1 ARG 86 5.151 -9.540 -12.711 650 2HH1 ARG 86 2HH1 ARG 86 4.715 -11.176 -12.290 651 1HH2 ARG 86 1HH2 ARG 86 3.075 -11.815 -15.350 652 2HH2 ARG 86 2HH2 ARG 86 3.538 -12.485 -13.809 653 H PHE 87 H PHE 87 2.260 -3.485 -14.304 654 HA PHE 87 HA PHE 87 -0.022 -4.959 -15.325 655 1HB PHE 87 1HB PHE 87 0.312 -4.627 -12.887 656 2HB PHE 87 2HB PHE 87 0.107 -2.894 -13.117 657 HD1 PHE 87 HD1 PHE 87 -1.635 -6.136 -13.645 658 HD2 PHE 87 HD2 PHE 87 -2.001 -1.954 -12.955 659 HE1 PHE 87 HE1 PHE 87 -4.063 -6.403 -13.351 660 HE2 PHE 87 HE2 PHE 87 -4.430 -2.210 -12.668 661 HZ PHE 87 HZ PHE 87 -5.462 -4.438 -12.866 662 H GLY 88 H GLY 88 0.903 -1.542 -14.924 663 1HA GLY 88 1HA GLY 88 0.406 -0.143 -16.954 664 2HA GLY 88 2HA GLY 88 -1.196 -0.869 -16.898 665 H VAL 89 H VAL 89 0.854 0.351 -14.298 666 HA VAL 89 HA VAL 89 -1.348 2.111 -13.456 667 HB VAL 89 HB VAL 89 1.057 1.231 -11.830 668 1HG1 VAL 89 1HG1 VAL 89 -1.547 2.495 -10.984 669 2HG1 VAL 89 2HG1 VAL 89 0.014 3.313 -11.072 670 3HG1 VAL 89 3HG1 VAL 89 -0.235 2.006 -9.913 671 1HG2 VAL 89 1HG2 VAL 89 -0.317 -0.708 -12.431 672 2HG2 VAL 89 2HG2 VAL 89 -1.745 0.110 -11.807 673 3HG2 VAL 89 3HG2 VAL 89 -0.446 -0.345 -10.709 674 H PHE 90 H PHE 90 1.647 2.090 -14.961 675 HA PHE 90 HA PHE 90 3.210 3.618 -15.530 676 1HB PHE 90 1HB PHE 90 1.197 5.071 -16.009 677 2HB PHE 90 2HB PHE 90 1.368 5.742 -14.391 678 HD1 PHE 90 HD1 PHE 90 3.432 5.157 -17.448 679 HD2 PHE 90 HD2 PHE 90 2.515 7.720 -14.181 680 HE1 PHE 90 HE1 PHE 90 5.007 6.834 -18.324 681 HE2 PHE 90 HE2 PHE 90 4.083 9.402 -15.051 682 HZ PHE 90 HZ PHE 90 5.334 8.961 -17.124 683 H ARG 91 H ARG 91 4.562 5.542 -14.384 684 HA ARG 91 HA ARG 91 5.372 4.285 -11.914 685 1HB ARG 91 1HB ARG 91 6.947 5.119 -13.755 686 2HB ARG 91 2HB ARG 91 6.643 6.729 -13.112 687 1HG ARG 91 1HG ARG 91 7.414 5.941 -10.898 688 2HG ARG 91 2HG ARG 91 7.837 4.395 -11.636 689 1HD ARG 91 1HD ARG 91 8.991 7.101 -12.261 690 2HD ARG 91 2HD ARG 91 9.807 5.741 -11.494 691 HE ARG 91 HE ARG 91 8.996 4.785 -13.934 692 1HH1 ARG 91 1HH1 ARG 91 10.984 7.403 -12.751 693 2HH1 ARG 91 2HH1 ARG 91 11.977 7.475 -14.183 694 1HH2 ARG 91 1HH2 ARG 91 10.277 4.877 -15.839 695 2HH2 ARG 91 2HH2 ARG 91 11.561 6.040 -15.953 696 H PHE 92 H PHE 92 3.817 4.777 -10.443 697 HA PHE 92 HA PHE 92 4.023 7.475 -9.323 698 1HB PHE 92 1HB PHE 92 1.454 5.989 -9.884 699 2HB PHE 92 2HB PHE 92 1.552 7.258 -8.672 700 HD1 PHE 92 HD1 PHE 92 0.804 6.550 -12.016 701 HD2 PHE 92 HD2 PHE 92 2.574 9.522 -9.541 702 HE1 PHE 92 HE1 PHE 92 0.368 8.244 -13.747 703 HE2 PHE 92 HE2 PHE 92 2.141 11.224 -11.268 704 HZ PHE 92 HZ PHE 92 1.033 10.583 -13.374 705 HA PRO 93 HA PRO 93 4.576 4.944 -5.657 706 1HB PRO 93 1HB PRO 93 4.444 7.425 -4.146 707 2HB PRO 93 2HB PRO 93 5.817 6.340 -4.374 708 1HG PRO 93 1HG PRO 93 5.669 8.828 -5.454 709 2HG PRO 93 2HG PRO 93 6.601 7.508 -6.174 710 1HD PRO 93 1HD PRO 93 3.925 8.593 -6.947 711 2HD PRO 93 2HD PRO 93 5.240 7.988 -7.977 712 H ALA 94 H ALA 94 3.010 3.995 -4.519 713 HA ALA 94 HA ALA 94 0.832 5.317 -3.307 714 1HB ALA 94 1HB ALA 94 0.146 5.631 -5.657 715 2HB ALA 94 2HB ALA 94 -0.992 4.637 -4.743 716 3HB ALA 94 3HB ALA 94 0.138 3.879 -5.866 717 H THR 95 H THR 95 -0.561 3.913 -2.201 718 HA THR 95 HA THR 95 0.325 1.142 -1.980 719 HB THR 95 HB THR 95 -1.832 2.541 -0.389 720 HG1 THR 95 HG1 THR 95 -0.037 3.691 0.111 721 1HG2 THR 95 1HG2 THR 95 -1.872 0.104 -0.254 722 2HG2 THR 95 2HG2 THR 95 -1.353 0.805 1.280 723 3HG2 THR 95 3HG2 THR 95 -0.164 0.091 0.190 724 H LEU 96 H LEU 96 -0.683 -0.379 -3.156 725 HA LEU 96 HA LEU 96 -3.229 0.285 -4.418 726 1HB LEU 96 1HB LEU 96 -1.319 -2.015 -4.853 727 2HB LEU 96 2HB LEU 96 -2.836 -1.827 -5.709 728 HG LEU 96 HG LEU 96 -1.884 0.443 -6.490 729 1HD1 LEU 96 1HD1 LEU 96 0.005 0.565 -4.972 730 2HD1 LEU 96 2HD1 LEU 96 0.558 0.527 -6.647 731 3HD1 LEU 96 3HD1 LEU 96 0.665 -0.923 -5.649 732 1HD2 LEU 96 1HD2 LEU 96 -0.729 -0.636 -8.363 733 2HD2 LEU 96 2HD2 LEU 96 -2.244 -1.447 -7.972 734 3HD2 LEU 96 3HD2 LEU 96 -0.707 -2.155 -7.470 735 H VAL 97 H VAL 97 -5.002 -0.224 -3.371 736 HA VAL 97 HA VAL 97 -4.984 -2.538 -1.582 737 HB VAL 97 HB VAL 97 -5.773 -0.513 -0.519 738 1HG1 VAL 97 1HG1 VAL 97 -7.872 -0.373 -2.674 739 2HG1 VAL 97 2HG1 VAL 97 -6.505 0.722 -2.476 740 3HG1 VAL 97 3HG1 VAL 97 -7.777 0.668 -1.255 741 1HG2 VAL 97 1HG2 VAL 97 -7.998 -1.239 0.233 742 2HG2 VAL 97 2HG2 VAL 97 -6.835 -2.563 0.193 743 3HG2 VAL 97 3HG2 VAL 97 -8.043 -2.414 -1.082 744 H PHE 98 H PHE 98 -5.919 -4.358 -2.123 745 HA PHE 98 HA PHE 98 -7.477 -4.413 -4.600 746 1HB PHE 98 1HB PHE 98 -6.128 -6.647 -3.071 747 2HB PHE 98 2HB PHE 98 -7.030 -6.852 -4.569 748 HD1 PHE 98 HD1 PHE 98 -6.152 -5.946 -6.679 749 HD2 PHE 98 HD2 PHE 98 -3.909 -5.780 -3.063 750 HE1 PHE 98 HE1 PHE 98 -4.112 -5.486 -7.972 751 HE2 PHE 98 HE2 PHE 98 -1.865 -5.316 -4.352 752 HZ PHE 98 HZ PHE 98 -1.967 -5.168 -6.812 753 H THR 99 H THR 99 -9.495 -5.163 -4.695 754 HA THR 99 HA THR 99 -10.706 -6.343 -2.297 755 HB THR 99 HB THR 99 -12.853 -5.106 -3.029 756 HG1 THR 99 HG1 THR 99 -11.129 -4.159 -4.829 757 1HG2 THR 99 1HG2 THR 99 -10.562 -3.585 -1.786 758 2HG2 THR 99 2HG2 THR 99 -11.734 -4.598 -0.941 759 3HG2 THR 99 3HG2 THR 99 -12.255 -3.100 -1.714 760 H GLY 100 H GLY 100 -11.564 -8.262 -2.792 761 1HA GLY 100 1HA GLY 100 -12.397 -10.015 -4.028 762 2HA GLY 100 2HA GLY 100 -13.042 -8.818 -5.148 763 H GLY 101 H GLY 101 -9.653 -8.898 -4.377 764 1HA GLY 101 1HA GLY 101 -7.822 -9.617 -5.603 765 2HA GLY 101 2HA GLY 101 -8.911 -10.453 -6.696 766 H ASN 102 H ASN 102 -10.029 -7.349 -6.416 767 HA ASN 102 HA ASN 102 -8.704 -6.643 -8.950 768 1HB ASN 102 1HB ASN 102 -11.447 -5.974 -7.916 769 2HB ASN 102 2HB ASN 102 -10.730 -5.144 -9.285 770 1HD2 ASN 102 1HD2 ASN 102 -10.377 -8.585 -8.564 771 2HD2 ASN 102 2HD2 ASN 102 -11.246 -9.134 -9.953 772 H TYR 103 H TYR 103 -7.884 -4.632 -9.286 773 HA TYR 103 HA TYR 103 -7.246 -3.059 -6.946 774 1HB TYR 103 1HB TYR 103 -5.456 -3.292 -8.475 775 2HB TYR 103 2HB TYR 103 -6.478 -2.937 -9.858 776 HD1 TYR 103 HD1 TYR 103 -6.636 -0.760 -10.699 777 HD2 TYR 103 HD2 TYR 103 -4.908 -1.381 -6.861 778 HE1 TYR 103 HE1 TYR 103 -5.903 1.586 -10.658 779 HE2 TYR 103 HE2 TYR 103 -4.172 0.966 -6.812 780 HH TYR 103 HH TYR 103 -5.329 3.305 -8.913 781 H ARG 104 H ARG 104 -8.687 -1.639 -6.182 782 HA ARG 104 HA ARG 104 -10.073 0.081 -8.113 783 1HB ARG 104 1HB ARG 104 -11.317 -1.638 -6.018 784 2HB ARG 104 2HB ARG 104 -12.046 -0.077 -6.367 785 1HG ARG 104 1HG ARG 104 -12.209 -0.737 -8.749 786 2HG ARG 104 2HG ARG 104 -11.600 -2.334 -8.307 787 1HD ARG 104 1HD ARG 104 -13.505 -2.820 -7.019 788 2HD ARG 104 2HD ARG 104 -14.017 -1.133 -6.993 789 HE ARG 104 HE ARG 104 -13.931 -2.234 -9.640 790 1HH1 ARG 104 1HH1 ARG 104 -15.881 -2.006 -6.742 791 2HH1 ARG 104 2HH1 ARG 104 -17.383 -2.176 -7.591 792 1HH2 ARG 104 1HH2 ARG 104 -15.908 -2.431 -10.756 793 2HH2 ARG 104 2HH2 ARG 104 -17.405 -2.408 -9.861 794 H GLY 105 H GLY 105 -7.874 0.177 -5.859 795 1HA GLY 105 1HA GLY 105 -8.733 2.802 -4.931 796 2HA GLY 105 2HA GLY 105 -8.431 1.598 -3.691 797 H VAL 106 H VAL 106 -7.119 4.195 -4.654 798 HA VAL 106 HA VAL 106 -4.374 3.142 -4.578 799 HB VAL 106 HB VAL 106 -4.770 3.972 -6.822 800 1HG1 VAL 106 1HG1 VAL 106 -6.656 5.435 -6.404 801 2HG1 VAL 106 2HG1 VAL 106 -5.386 6.313 -7.256 802 3HG1 VAL 106 3HG1 VAL 106 -5.621 6.557 -5.523 803 1HG2 VAL 106 1HG2 VAL 106 -3.040 5.708 -6.970 804 2HG2 VAL 106 2HG2 VAL 106 -2.569 4.389 -5.900 805 3HG2 VAL 106 3HG2 VAL 106 -3.117 5.918 -5.221 806 H LEU 107 H LEU 107 -3.097 4.020 -3.021 807 HA LEU 107 HA LEU 107 -4.013 6.458 -1.669 808 1HB LEU 107 1HB LEU 107 -3.330 3.858 -0.297 809 2HB LEU 107 2HB LEU 107 -3.551 5.385 0.532 810 HG LEU 107 HG LEU 107 -5.693 3.971 -1.063 811 1HD1 LEU 107 1HD1 LEU 107 -5.248 4.139 1.913 812 2HD1 LEU 107 2HD1 LEU 107 -5.113 2.693 0.913 813 3HD1 LEU 107 3HD1 LEU 107 -6.680 3.471 1.133 814 1HD2 LEU 107 1HD2 LEU 107 -7.198 5.582 0.009 815 2HD2 LEU 107 2HD2 LEU 107 -5.990 6.392 -0.991 816 3HD2 LEU 107 3HD2 LEU 107 -5.815 6.371 0.764 817 H ASN 108 H ASN 108 -2.274 7.625 -2.473 818 HA ASN 108 HA ASN 108 0.439 6.783 -1.943 819 1HB ASN 108 1HB ASN 108 0.116 8.128 -3.899 820 2HB ASN 108 2HB ASN 108 -0.753 9.359 -2.987 821 1HD2 ASN 108 1HD2 ASN 108 0.390 10.887 -1.842 822 2HD2 ASN 108 2HD2 ASN 108 2.105 11.072 -1.968 823 H GLY 109 H GLY 109 -1.933 8.966 -0.573 824 1HA GLY 109 1HA GLY 109 -1.606 9.086 1.969 825 2HA GLY 109 2HA GLY 109 -0.037 9.756 1.527 826 H ILE 110 H ILE 110 -0.780 11.649 2.745 827 HA ILE 110 HA ILE 110 -1.388 13.841 2.767 828 HB ILE 110 HB ILE 110 -2.293 13.543 -0.107 829 1HG1 ILE 110 1HG1 ILE 110 -0.015 12.715 0.016 830 2HG1 ILE 110 2HG1 ILE 110 -0.010 14.303 -0.737 831 1HG2 ILE 110 1HG2 ILE 110 -1.768 15.923 -0.268 832 2HG2 ILE 110 2HG2 ILE 110 -1.284 15.937 1.427 833 3HG2 ILE 110 3HG2 ILE 110 -2.964 15.623 0.995 834 1HD1 ILE 110 1HD1 ILE 110 0.734 15.304 1.353 835 2HD1 ILE 110 2HD1 ILE 110 1.842 14.039 0.816 836 3HD1 ILE 110 3HD1 ILE 110 0.706 13.719 2.125 837 H HIS 111 H HIS 111 -3.373 15.234 2.680 838 HA HIS 111 HA HIS 111 -5.589 15.642 2.993 839 1HB HIS 111 1HB HIS 111 -5.968 12.811 2.003 840 2HB HIS 111 2HB HIS 111 -7.298 13.842 2.515 841 HD1 HIS 111 HD1 HIS 111 -5.454 12.890 -0.414 842 HD2 HIS 111 HD2 HIS 111 -7.377 16.333 0.890 843 HE1 HIS 111 HE1 HIS 111 -5.856 14.264 -2.482 844 HE2 HIS 111 HE2 HIS 111 -7.209 16.240 -1.690 845 HA PRO 112 HA PRO 112 -6.044 14.589 7.200 846 1HB PRO 112 1HB PRO 112 -8.777 14.688 7.496 847 2HB PRO 112 2HB PRO 112 -7.721 16.102 7.463 848 1HG PRO 112 1HG PRO 112 -9.368 14.916 5.268 849 2HG PRO 112 2HG PRO 112 -9.116 16.623 5.681 850 1HD PRO 112 1HD PRO 112 -7.821 15.469 3.638 851 2HD PRO 112 2HD PRO 112 -7.038 16.694 4.660 852 H TRP 113 H TRP 113 -6.204 12.842 8.435 853 HA TRP 113 HA TRP 113 -6.710 10.276 7.516 854 1HB TRP 113 1HB TRP 113 -5.449 10.687 9.527 855 2HB TRP 113 2HB TRP 113 -6.830 11.451 10.297 856 HD1 TRP 113 HD1 TRP 113 -7.596 9.951 12.191 857 HE1 TRP 113 HE1 TRP 113 -7.974 7.427 12.538 858 HE3 TRP 113 HE3 TRP 113 -6.022 8.274 7.634 859 HZ2 TRP 113 HZ2 TRP 113 -7.655 5.050 11.062 860 HZ3 TRP 113 HZ3 TRP 113 -6.097 5.858 7.182 861 HH2 TRP 113 HH2 TRP 113 -6.899 4.282 8.863 862 H ALA 114 H ALA 114 -8.913 12.624 8.937 863 HA ALA 114 HA ALA 114 -11.173 11.026 9.270 864 1HB ALA 114 1HB ALA 114 -11.013 13.323 10.087 865 2HB ALA 114 2HB ALA 114 -12.465 13.087 9.112 866 3HB ALA 114 3HB ALA 114 -11.068 13.920 8.428 867 H GLU 115 H GLU 115 -9.946 12.645 6.362 868 HA GLU 115 HA GLU 115 -12.172 11.788 4.747 869 1HB GLU 115 1HB GLU 115 -10.953 13.868 4.219 870 2HB GLU 115 2HB GLU 115 -9.496 12.931 3.914 871 1HG GLU 115 1HG GLU 115 -10.576 11.811 2.052 872 2HG GLU 115 2HG GLU 115 -12.071 12.684 2.375 873 H LEU 116 H LEU 116 -8.927 10.715 5.465 874 HA LEU 116 HA LEU 116 -8.612 8.739 3.528 875 1HB LEU 116 1HB LEU 116 -7.445 9.376 6.137 876 2HB LEU 116 2HB LEU 116 -7.372 7.674 5.736 877 HG LEU 116 HG LEU 116 -5.322 8.813 5.080 878 1HD1 LEU 116 1HD1 LEU 116 -6.090 6.921 3.733 879 2HD1 LEU 116 2HD1 LEU 116 -5.214 8.101 2.761 880 3HD1 LEU 116 3HD1 LEU 116 -6.973 8.029 2.683 881 1HD2 LEU 116 1HD2 LEU 116 -5.313 10.520 3.346 882 2HD2 LEU 116 2HD2 LEU 116 -6.260 11.050 4.736 883 3HD2 LEU 116 3HD2 LEU 116 -7.073 10.482 3.278 884 H ILE 117 H ILE 117 -10.119 8.524 6.755 885 HA ILE 117 HA ILE 117 -10.830 5.796 6.572 886 HB ILE 117 HB ILE 117 -12.298 7.955 8.104 887 1HG1 ILE 117 1HG1 ILE 117 -10.047 6.145 9.013 888 2HG1 ILE 117 2HG1 ILE 117 -9.879 7.861 8.654 889 1HG2 ILE 117 1HG2 ILE 117 -13.052 6.125 9.530 890 2HG2 ILE 117 2HG2 ILE 117 -12.187 4.968 8.517 891 3HG2 ILE 117 3HG2 ILE 117 -13.554 5.867 7.859 892 1HD1 ILE 117 1HD1 ILE 117 -11.392 8.401 10.480 893 2HD1 ILE 117 2HD1 ILE 117 -10.025 7.440 11.049 894 3HD1 ILE 117 3HD1 ILE 117 -11.602 6.684 10.824 895 H ASN 118 H ASN 118 -12.508 8.761 5.657 896 HA ASN 118 HA ASN 118 -14.995 7.742 4.926 897 1HB ASN 118 1HB ASN 118 -14.349 10.160 5.049 898 2HB ASN 118 2HB ASN 118 -13.481 9.964 3.540 899 1HD2 ASN 118 1HD2 ASN 118 -14.759 11.499 2.523 900 2HD2 ASN 118 2HD2 ASN 118 -16.384 11.165 2.036 901 H LEU 119 H LEU 119 -12.195 8.383 2.870 902 HA LEU 119 HA LEU 119 -13.202 7.304 0.497 903 1HB LEU 119 1HB LEU 119 -10.329 7.455 1.418 904 2HB LEU 119 2HB LEU 119 -10.854 7.197 -0.232 905 HG LEU 119 HG LEU 119 -11.368 9.688 1.386 906 1HD1 LEU 119 1HD1 LEU 119 -9.027 9.459 0.808 907 2HD1 LEU 119 2HD1 LEU 119 -9.776 10.739 -0.150 908 3HD1 LEU 119 3HD1 LEU 119 -9.453 9.165 -0.878 909 1HD2 LEU 119 1HD2 LEU 119 -11.956 9.056 -1.504 910 2HD2 LEU 119 2HD2 LEU 119 -12.151 10.633 -0.736 911 3HD2 LEU 119 3HD2 LEU 119 -13.145 9.269 -0.219 912 H MET 120 H MET 120 -11.155 5.755 2.970 913 HA MET 120 HA MET 120 -10.950 3.265 1.668 914 1HB MET 120 1HB MET 120 -9.537 4.017 3.580 915 2HB MET 120 2HB MET 120 -10.912 3.760 4.646 916 1HG MET 120 1HG MET 120 -9.410 1.881 4.755 917 2HG MET 120 2HG MET 120 -10.939 1.391 4.024 918 1HE MET 120 1HE MET 120 -9.730 -0.831 3.176 919 2HE MET 120 2HE MET 120 -8.212 -0.288 3.886 920 3HE MET 120 3HE MET 120 -8.254 -0.839 2.211 921 H ARG 121 H ARG 121 -13.336 4.549 3.936 922 HA ARG 121 HA ARG 121 -14.753 2.128 4.283 923 1HB ARG 121 1HB ARG 121 -14.935 4.241 5.709 924 2HB ARG 121 2HB ARG 121 -15.983 4.877 4.444 925 1HG ARG 121 1HG ARG 121 -17.331 3.941 6.203 926 2HG ARG 121 2HG ARG 121 -17.480 2.935 4.758 927 1HD ARG 121 1HD ARG 121 -15.654 1.489 5.734 928 2HD ARG 121 2HD ARG 121 -15.857 2.393 7.233 929 HE ARG 121 HE ARG 121 -18.325 1.299 6.253 930 1HH1 ARG 121 1HH1 ARG 121 -15.437 0.659 8.124 931 2HH1 ARG 121 2HH1 ARG 121 -16.110 -0.720 8.940 932 1HH2 ARG 121 1HH2 ARG 121 -19.228 -0.522 7.313 933 2HH2 ARG 121 2HH2 ARG 121 -18.277 -1.381 8.494 934 H GLY 122 H GLY 122 -14.925 4.710 1.905 935 1HA GLY 122 1HA GLY 122 -17.288 3.801 0.608 936 2HA GLY 122 2HA GLY 122 -16.064 4.848 -0.096 937 H LEU 123 H LEU 123 -13.919 2.945 0.367 938 HA LEU 123 HA LEU 123 -14.184 1.394 -2.019 939 1HB LEU 123 1HB LEU 123 -12.033 1.370 0.096 940 2HB LEU 123 2HB LEU 123 -11.926 0.573 -1.461 941 HG LEU 123 HG LEU 123 -12.157 3.555 -1.044 942 1HD1 LEU 123 1HD1 LEU 123 -9.801 1.849 -1.831 943 2HD1 LEU 123 2HD1 LEU 123 -10.005 2.718 -0.311 944 3HD1 LEU 123 3HD1 LEU 123 -9.834 3.613 -1.822 945 1HD2 LEU 123 1HD2 LEU 123 -11.696 1.951 -3.557 946 2HD2 LEU 123 2HD2 LEU 123 -11.686 3.712 -3.434 947 3HD2 LEU 123 3HD2 LEU 123 -13.176 2.814 -3.138 948 H VAL 124 H VAL 124 -13.733 0.479 1.417 949 HA VAL 124 HA VAL 124 -14.077 -2.307 0.786 950 HB VAL 124 HB VAL 124 -13.884 -2.726 3.187 951 1HG1 VAL 124 1HG1 VAL 124 -11.607 -1.844 3.492 952 2HG1 VAL 124 2HG1 VAL 124 -11.854 -0.779 2.107 953 3HG1 VAL 124 3HG1 VAL 124 -11.863 -2.529 1.887 954 1HG2 VAL 124 1HG2 VAL 124 -13.798 0.280 3.472 955 2HG2 VAL 124 2HG2 VAL 124 -13.471 -0.886 4.755 956 3HG2 VAL 124 3HG2 VAL 124 -15.082 -0.787 4.045 957 H GLU 125 H GLU 125 -16.151 0.256 1.800 958 HA GLU 125 HA GLU 125 -18.388 -1.653 1.903 959 1HB GLU 125 1HB GLU 125 -17.815 -0.651 4.122 960 2HB GLU 125 2HB GLU 125 -18.160 0.933 3.452 961 1HG GLU 125 1HG GLU 125 -20.472 0.325 3.107 962 2HG GLU 125 2HG GLU 125 -20.139 -1.315 3.672 963 HA PRO 126 HA PRO 126 -18.681 1.312 -1.618 964 1HB PRO 126 1HB PRO 126 -19.829 -1.009 -3.009 965 2HB PRO 126 2HB PRO 126 -18.458 0.012 -3.457 966 1HG PRO 126 1HG PRO 126 -18.089 -2.497 -2.618 967 2HG PRO 126 2HG PRO 126 -16.966 -1.197 -2.175 968 1HD PRO 126 1HD PRO 126 -19.198 -2.391 -0.559 969 2HD PRO 126 2HD PRO 126 -17.527 -2.033 -0.066 970 H GLN 127 H GLN 127 -20.305 2.622 -1.182 971 HA GLN 127 HA GLN 127 -23.037 1.726 -1.039 972 1HB GLN 127 1HB GLN 127 -21.697 4.423 -0.984 973 2HB GLN 127 2HB GLN 127 -23.437 4.248 -1.017 974 1HG GLN 127 1HG GLN 127 -23.384 3.011 1.070 975 2HG GLN 127 2HG GLN 127 -21.625 3.118 1.094 976 1HE2 GLN 127 1HE2 GLN 127 -23.666 4.087 2.984 977 2HE2 GLN 127 2HE2 GLN 127 -23.355 5.780 3.166 978 H GLN 128 H GLN 128 -20.854 2.191 -3.368 979 HA GLN 128 HA GLN 128 -20.823 2.340 -5.598 980 1HB GLN 128 1HB GLN 128 -23.654 1.336 -5.299 981 2HB GLN 128 2HB GLN 128 -22.741 1.356 -6.801 982 1HG GLN 128 1HG GLN 128 -21.056 -0.119 -5.755 983 2HG GLN 128 2HG GLN 128 -22.066 -0.198 -4.315 984 1HE2 GLN 128 1HE2 GLN 128 -21.171 -2.323 -6.093 985 2HE2 GLN 128 2HE2 GLN 128 -22.609 -3.090 -6.685 986 H GLU 129 H GLU 129 -20.785 4.703 -4.936 987 HA GLU 129 HA GLU 129 -22.821 6.063 -6.570 988 1HB GLU 129 1HB GLU 129 -22.144 8.159 -5.426 989 2HB GLU 129 2HB GLU 129 -22.831 6.973 -4.327 990 1HG GLU 129 1HG GLU 129 -20.649 6.406 -3.490 991 2HG GLU 129 2HG GLU 129 -19.880 7.448 -4.694 992 H ARG 130 H ARG 130 -21.708 8.193 -7.534 993 HA ARG 130 HA ARG 130 -19.923 7.091 -9.440 994 1HB ARG 130 1HB ARG 130 -19.838 9.501 -10.303 995 2HB ARG 130 2HB ARG 130 -21.378 8.661 -10.346 996 1HG ARG 130 1HG ARG 130 -21.889 10.815 -9.615 997 2HG ARG 130 2HG ARG 130 -21.901 9.836 -8.151 998 1HD ARG 130 1HD ARG 130 -20.780 11.981 -7.799 999 2HD ARG 130 2HD ARG 130 -19.675 10.626 -7.580 1000 HE ARG 130 HE ARG 130 -19.118 11.213 -10.073 1001 1HH1 ARG 130 1HH1 ARG 130 -19.747 13.434 -7.438 1002 2HH1 ARG 130 2HH1 ARG 130 -18.713 14.679 -8.071 1003 1HH2 ARG 130 1HH2 ARG 130 -17.762 12.835 -10.911 1004 2HH2 ARG 130 2HH2 ARG 130 -17.592 14.347 -10.063 1005 H ALA 131 H ALA 131 -17.815 7.260 -9.730 1006 HA ALA 131 HA ALA 131 -16.260 9.032 -7.969 1007 1HB ALA 131 1HB ALA 131 -16.003 6.708 -7.212 1008 2HB ALA 131 2HB ALA 131 -14.493 7.334 -7.876 1009 3HB ALA 131 3HB ALA 131 -15.491 6.238 -8.833 1010 H SER 132 H SER 132 -15.293 10.539 -9.208 1011 HA SER 132 HA SER 132 -14.573 9.792 -11.959 1012 1HB SER 132 1HB SER 132 -15.850 12.445 -11.373 1013 2HB SER 132 2HB SER 132 -15.712 11.600 -12.911 1014 HG SER 132 HG SER 132 -17.188 10.010 -12.007 Start of MODEL 9 1 1H MET 1 1H MET 1 16.137 3.471 -6.188 2 HA MET 1 HA MET 1 18.438 4.372 -7.580 3 1HB MET 1 1HB MET 1 15.880 5.779 -8.377 4 2HB MET 1 2HB MET 1 17.488 6.434 -8.646 5 1HG MET 1 1HG MET 1 18.019 4.508 -10.068 6 2HG MET 1 2HG MET 1 16.385 3.894 -9.817 7 1HE MET 1 1HE MET 1 16.215 3.757 -12.496 8 2HE MET 1 2HE MET 1 17.795 4.510 -12.709 9 3HE MET 1 3HE MET 1 16.390 5.151 -13.559 10 H SER 2 H SER 2 19.391 6.098 -6.538 11 HA SER 2 HA SER 2 19.873 7.485 -4.814 12 1HB SER 2 1HB SER 2 16.875 7.843 -4.551 13 2HB SER 2 2HB SER 2 18.123 8.923 -3.928 14 HG SER 2 HG SER 2 18.412 9.739 -5.865 15 H ASN 3 H ASN 3 19.441 4.631 -4.426 16 HA ASN 3 HA ASN 3 18.260 4.355 -1.780 17 1HB ASN 3 1HB ASN 3 19.646 2.317 -3.547 18 2HB ASN 3 2HB ASN 3 18.909 1.957 -1.994 19 1HD2 ASN 3 1HD2 ASN 3 17.458 0.531 -2.743 20 2HD2 ASN 3 2HD2 ASN 3 16.136 0.944 -3.790 21 H ASP 4 H ASP 4 19.795 5.768 -0.660 22 HA ASP 4 HA ASP 4 22.140 4.200 0.137 23 1HB ASP 4 1HB ASP 4 22.778 5.915 -1.578 24 2HB ASP 4 2HB ASP 4 22.256 7.160 -0.455 25 H THR 5 H THR 5 19.417 5.593 1.084 26 HA THR 5 HA THR 5 19.826 5.701 3.812 27 HB THR 5 HB THR 5 20.140 8.425 2.535 28 HG1 THR 5 HG1 THR 5 21.926 6.803 3.353 29 1HG2 THR 5 1HG2 THR 5 19.948 9.379 4.786 30 2HG2 THR 5 2HG2 THR 5 19.534 7.787 5.420 31 3HG2 THR 5 3HG2 THR 5 18.450 8.594 4.288 32 HA PRO 6 HA PRO 6 15.738 8.199 2.743 33 1HB PRO 6 1HB PRO 6 15.516 7.606 -0.164 34 2HB PRO 6 2HB PRO 6 15.103 9.081 0.718 35 1HG PRO 6 1HG PRO 6 17.290 8.979 -0.784 36 2HG PRO 6 2HG PRO 6 17.301 9.819 0.778 37 1HD PRO 6 1HD PRO 6 18.394 7.123 0.066 38 2HD PRO 6 2HD PRO 6 19.077 8.373 1.123 39 H PHE 7 H PHE 7 15.840 5.722 0.164 40 HA PHE 7 HA PHE 7 13.441 4.504 0.946 41 1HB PHE 7 1HB PHE 7 14.290 4.129 -1.278 42 2HB PHE 7 2HB PHE 7 15.756 3.386 -0.645 43 HD1 PHE 7 HD1 PHE 7 12.048 2.952 -0.506 44 HD2 PHE 7 HD2 PHE 7 15.877 1.092 -0.576 45 HE1 PHE 7 HE1 PHE 7 10.968 0.743 -0.572 46 HE2 PHE 7 HE2 PHE 7 14.803 -1.121 -0.647 47 HZ PHE 7 HZ PHE 7 12.345 -1.294 -0.644 48 H ASP 8 H ASP 8 16.766 3.874 1.854 49 HA ASP 8 HA ASP 8 16.451 1.416 3.138 50 1HB ASP 8 1HB ASP 8 18.595 2.776 2.604 51 2HB ASP 8 2HB ASP 8 18.313 3.545 4.157 52 H ALA 9 H ALA 9 16.443 4.686 4.477 53 HA ALA 9 HA ALA 9 15.826 3.909 7.130 54 1HB ALA 9 1HB ALA 9 15.317 6.271 7.518 55 2HB ALA 9 2HB ALA 9 15.336 6.563 5.779 56 3HB ALA 9 3HB ALA 9 16.815 6.077 6.608 57 H LEU 10 H LEU 10 13.773 4.799 4.399 58 HA LEU 10 HA LEU 10 11.342 4.911 5.828 59 1HB LEU 10 1HB LEU 10 12.177 4.847 3.019 60 2HB LEU 10 2HB LEU 10 10.612 4.117 3.312 61 HG LEU 10 HG LEU 10 10.379 6.461 2.689 62 1HD1 LEU 10 1HD1 LEU 10 9.706 5.915 5.576 63 2HD1 LEU 10 2HD1 LEU 10 8.711 5.531 4.170 64 3HD1 LEU 10 3HD1 LEU 10 9.020 7.212 4.598 65 1HD2 LEU 10 1HD2 LEU 10 11.188 8.241 4.158 66 2HD2 LEU 10 2HD2 LEU 10 12.520 7.292 3.497 67 3HD2 LEU 10 3HD2 LEU 10 12.000 7.040 5.164 68 H TRP 11 H TRP 11 12.892 2.290 4.000 69 HA TRP 11 HA TRP 11 10.810 0.425 4.404 70 1HB TRP 11 1HB TRP 11 12.992 0.452 2.814 71 2HB TRP 11 2HB TRP 11 13.565 -0.628 4.084 72 HD1 TRP 11 HD1 TRP 11 9.876 -0.767 3.316 73 HE1 TRP 11 HE1 TRP 11 9.323 -2.952 2.086 74 HE3 TRP 11 HE3 TRP 11 14.628 -2.407 2.400 75 HZ2 TRP 11 HZ2 TRP 11 10.703 -5.089 0.892 76 HZ3 TRP 11 HZ3 TRP 11 14.922 -4.542 1.210 77 HH2 TRP 11 HH2 TRP 11 12.995 -5.857 0.473 78 H GLN 12 H GLN 12 13.718 1.208 6.231 79 HA GLN 12 HA GLN 12 13.693 -0.867 8.084 80 1HB GLN 12 1HB GLN 12 14.552 2.015 8.289 81 2HB GLN 12 2HB GLN 12 14.755 0.886 9.611 82 1HG GLN 12 1HG GLN 12 15.903 0.539 6.859 83 2HG GLN 12 2HG GLN 12 16.785 1.152 8.257 84 1HE2 GLN 12 1HE2 GLN 12 15.526 -0.661 10.125 85 2HE2 GLN 12 2HE2 GLN 12 16.211 -2.224 9.830 86 H ARG 13 H ARG 13 11.972 2.231 8.139 87 HA ARG 13 HA ARG 13 10.703 1.849 10.629 88 1HB ARG 13 1HB ARG 13 9.924 3.500 8.227 89 2HB ARG 13 2HB ARG 13 9.030 3.524 9.736 90 1HG ARG 13 1HG ARG 13 11.938 4.258 9.469 91 2HG ARG 13 2HG ARG 13 10.605 5.412 9.461 92 1HD ARG 13 1HD ARG 13 11.316 5.458 11.668 93 2HD ARG 13 2HD ARG 13 9.955 4.340 11.717 94 HE ARG 13 HE ARG 13 12.655 3.243 11.428 95 1HH1 ARG 13 1HH1 ARG 13 9.800 3.726 13.415 96 2HH1 ARG 13 2HH1 ARG 13 10.317 2.589 14.631 97 1HH2 ARG 13 1HH2 ARG 13 13.329 1.787 13.015 98 2HH2 ARG 13 2HH2 ARG 13 12.338 1.506 14.415 99 H MET 14 H MET 14 9.545 1.344 7.325 100 HA MET 14 HA MET 14 7.004 0.359 7.904 101 1HB MET 14 1HB MET 14 8.836 -0.307 5.593 102 2HB MET 14 2HB MET 14 7.114 -0.657 5.643 103 1HG MET 14 1HG MET 14 6.564 1.656 5.664 104 2HG MET 14 2HG MET 14 8.250 2.114 5.892 105 1HE MET 14 1HE MET 14 5.616 0.580 3.424 106 2HE MET 14 2HE MET 14 6.852 -0.675 3.506 107 3HE MET 14 3HE MET 14 6.615 0.231 2.011 108 H LEU 15 H LEU 15 10.094 -1.304 7.684 109 HA LEU 15 HA LEU 15 9.041 -3.939 7.840 110 1HB LEU 15 1HB LEU 15 11.664 -2.669 7.798 111 2HB LEU 15 2HB LEU 15 11.622 -4.088 8.821 112 HG LEU 15 HG LEU 15 12.364 -4.588 6.521 113 1HD1 LEU 15 1HD1 LEU 15 11.298 -6.335 7.832 114 2HD1 LEU 15 2HD1 LEU 15 10.871 -6.492 6.127 115 3HD1 LEU 15 3HD1 LEU 15 9.710 -5.810 7.267 116 1HD2 LEU 15 1HD2 LEU 15 9.586 -3.715 5.762 117 2HD2 LEU 15 2HD2 LEU 15 10.729 -4.531 4.694 118 3HD2 LEU 15 3HD2 LEU 15 11.096 -2.921 5.319 119 H ALA 16 H ALA 16 10.185 -1.629 10.227 120 HA ALA 16 HA ALA 16 10.258 -3.401 12.429 121 1HB ALA 16 1HB ALA 16 11.463 -1.278 12.410 122 2HB ALA 16 2HB ALA 16 10.383 -1.387 13.800 123 3HB ALA 16 3HB ALA 16 9.930 -0.403 12.408 124 H ARG 17 H ARG 17 7.679 -1.565 10.944 125 HA ARG 17 HA ARG 17 5.931 -1.694 13.193 126 1HB ARG 17 1HB ARG 17 5.307 -1.136 10.293 127 2HB ARG 17 2HB ARG 17 4.201 -0.888 11.634 128 1HG ARG 17 1HG ARG 17 6.781 0.553 11.088 129 2HG ARG 17 2HG ARG 17 5.148 1.211 11.036 130 1HD ARG 17 1HD ARG 17 6.500 0.132 13.504 131 2HD ARG 17 2HD ARG 17 6.393 1.832 13.070 132 HE ARG 17 HE ARG 17 3.992 1.683 13.365 133 1HH1 ARG 17 1HH1 ARG 17 5.930 -0.905 14.702 134 2HH1 ARG 17 2HH1 ARG 17 4.681 -1.459 15.784 135 1HH2 ARG 17 1HH2 ARG 17 2.387 1.036 14.845 136 2HH2 ARG 17 2HH2 ARG 17 2.662 -0.329 15.888 137 H GLY 18 H GLY 18 6.815 -3.948 10.783 138 1HA GLY 18 1HA GLY 18 6.309 -6.256 11.193 139 2HA GLY 18 2HA GLY 18 4.773 -5.758 11.883 140 H TRP 19 H TRP 19 6.243 -4.843 8.783 141 HA TRP 19 HA TRP 19 3.978 -6.140 7.437 142 1HB TRP 19 1HB TRP 19 5.606 -3.754 6.518 143 2HB TRP 19 2HB TRP 19 4.283 -4.496 5.619 144 HD1 TRP 19 HD1 TRP 19 2.354 -4.829 8.237 145 HE1 TRP 19 HE1 TRP 19 1.156 -2.736 9.131 146 HE3 TRP 19 HE3 TRP 19 5.345 -1.232 6.167 147 HZ2 TRP 19 HZ2 TRP 19 1.433 0.066 8.973 148 HZ3 TRP 19 HZ3 TRP 19 4.803 1.132 6.588 149 HH2 TRP 19 HH2 TRP 19 2.888 1.765 7.961 150 H THR 20 H THR 20 4.407 -7.513 5.717 151 HA THR 20 HA THR 20 7.146 -8.514 5.756 152 HB THR 20 HB THR 20 6.005 -10.503 4.560 153 HG1 THR 20 HG1 THR 20 3.988 -9.105 4.355 154 1HG2 THR 20 1HG2 THR 20 5.352 -9.840 7.431 155 2HG2 THR 20 2HG2 THR 20 6.843 -10.583 6.852 156 3HG2 THR 20 3HG2 THR 20 5.313 -11.450 6.714 157 HA PRO 21 HA PRO 21 7.754 -7.309 1.513 158 1HB PRO 21 1HB PRO 21 10.284 -8.552 1.444 159 2HB PRO 21 2HB PRO 21 9.947 -6.870 1.846 160 1HG PRO 21 1HG PRO 21 10.940 -8.831 3.592 161 2HG PRO 21 2HG PRO 21 10.317 -7.237 4.046 162 1HD PRO 21 1HD PRO 21 8.984 -9.896 4.153 163 2HD PRO 21 2HD PRO 21 8.769 -8.475 5.199 164 H VAL 22 H VAL 22 8.201 -8.308 -0.563 165 HA VAL 22 HA VAL 22 8.454 -11.148 -0.800 166 HB VAL 22 HB VAL 22 6.071 -11.051 -0.255 167 1HG1 VAL 22 1HG1 VAL 22 5.781 -9.297 -2.687 168 2HG1 VAL 22 2HG1 VAL 22 5.631 -8.769 -1.012 169 3HG1 VAL 22 3HG1 VAL 22 4.470 -9.915 -1.679 170 1HG2 VAL 22 1HG2 VAL 22 6.589 -11.696 -3.152 171 2HG2 VAL 22 2HG2 VAL 22 5.174 -12.208 -2.234 172 3HG2 VAL 22 3HG2 VAL 22 6.777 -12.786 -1.778 173 H SER 23 H SER 23 9.002 -11.766 -2.927 174 HA SER 23 HA SER 23 10.002 -9.520 -4.464 175 1HB SER 23 1HB SER 23 11.052 -11.643 -5.720 176 2HB SER 23 2HB SER 23 11.742 -10.960 -4.246 177 HG SER 23 HG SER 23 11.302 -12.748 -3.264 178 H GLU 24 H GLU 24 9.941 -9.429 -6.760 179 HA GLU 24 HA GLU 24 7.263 -9.721 -7.746 180 1HB GLU 24 1HB GLU 24 8.961 -7.832 -8.203 181 2HB GLU 24 2HB GLU 24 9.665 -8.922 -9.384 182 1HG GLU 24 1HG GLU 24 6.763 -8.153 -9.451 183 2HG GLU 24 2HG GLU 24 8.012 -7.170 -10.207 184 H SER 25 H SER 25 7.196 -12.036 -7.548 185 HA SER 25 HA SER 25 7.402 -13.339 -10.052 186 1HB SER 25 1HB SER 25 9.310 -14.243 -7.873 187 2HB SER 25 2HB SER 25 8.834 -15.266 -9.223 188 HG SER 25 HG SER 25 9.776 -12.748 -9.893 189 H ARG 26 H ARG 26 7.079 -13.529 -6.566 190 HA ARG 26 HA ARG 26 4.964 -15.525 -6.931 191 1HB ARG 26 1HB ARG 26 5.516 -16.161 -4.488 192 2HB ARG 26 2HB ARG 26 6.528 -16.772 -5.783 193 1HG ARG 26 1HG ARG 26 7.304 -14.265 -4.360 194 2HG ARG 26 2HG ARG 26 7.608 -15.839 -3.618 195 1HD ARG 26 1HD ARG 26 8.721 -16.493 -5.794 196 2HD ARG 26 2HD ARG 26 8.641 -14.791 -6.241 197 HE ARG 26 HE ARG 26 10.004 -14.368 -4.188 198 1HH1 ARG 26 1HH1 ARG 26 10.083 -17.467 -5.823 199 2HH1 ARG 26 2HH1 ARG 26 11.640 -17.909 -5.183 200 1HH2 ARG 26 1HH2 ARG 26 12.065 -14.941 -3.359 201 2HH2 ARG 26 2HH2 ARG 26 12.772 -16.463 -3.816 202 H LEU 27 H LEU 27 5.574 -12.386 -6.163 203 HA LEU 27 HA LEU 27 3.790 -11.744 -4.155 204 1HB LEU 27 1HB LEU 27 5.173 -10.096 -5.305 205 2HB LEU 27 2HB LEU 27 4.286 -10.342 -6.788 206 HG LEU 27 HG LEU 27 3.828 -8.218 -5.420 207 1HD1 LEU 27 1HD1 LEU 27 1.433 -8.243 -5.996 208 2HD1 LEU 27 2HD1 LEU 27 1.555 -9.970 -6.333 209 3HD1 LEU 27 3HD1 LEU 27 2.463 -8.813 -7.308 210 1HD2 LEU 27 1HD2 LEU 27 2.064 -8.459 -3.713 211 2HD2 LEU 27 2HD2 LEU 27 3.589 -9.202 -3.238 212 3HD2 LEU 27 3HD2 LEU 27 2.255 -10.211 -3.796 213 H ASP 28 H ASP 28 3.160 -12.540 -7.535 214 HA ASP 28 HA ASP 28 0.337 -12.078 -7.366 215 1HB ASP 28 1HB ASP 28 1.491 -11.862 -9.498 216 2HB ASP 28 2HB ASP 28 1.991 -13.549 -9.429 217 H ASP 29 H ASP 29 2.394 -14.939 -7.334 218 HA ASP 29 HA ASP 29 0.449 -16.948 -7.218 219 1HB ASP 29 1HB ASP 29 3.013 -17.104 -7.461 220 2HB ASP 29 2HB ASP 29 3.062 -17.032 -5.714 221 H TRP 30 H TRP 30 2.223 -15.372 -4.614 222 HA TRP 30 HA TRP 30 0.923 -16.538 -2.441 223 1HB TRP 30 1HB TRP 30 3.041 -15.245 -2.339 224 2HB TRP 30 2HB TRP 30 2.127 -13.766 -2.597 225 HD1 TRP 30 HD1 TRP 30 1.852 -16.695 -0.042 226 HE1 TRP 30 HE1 TRP 30 1.539 -15.661 2.293 227 HE3 TRP 30 HE3 TRP 30 1.908 -11.746 -1.326 228 HZ2 TRP 30 HZ2 TRP 30 1.342 -13.091 3.440 229 HZ3 TRP 30 HZ3 TRP 30 1.652 -10.064 0.450 230 HH2 TRP 30 HH2 TRP 30 1.374 -10.721 2.783 231 H LEU 31 H LEU 31 0.147 -13.563 -4.220 232 HA LEU 31 HA LEU 31 -2.021 -12.778 -2.584 233 1HB LEU 31 1HB LEU 31 -0.868 -11.273 -4.169 234 2HB LEU 31 2HB LEU 31 -1.540 -12.185 -5.507 235 HG LEU 31 HG LEU 31 -3.823 -11.526 -4.775 236 1HD1 LEU 31 1HD1 LEU 31 -3.383 -11.160 -2.418 237 2HD1 LEU 31 2HD1 LEU 31 -4.064 -9.708 -3.152 238 3HD1 LEU 31 3HD1 LEU 31 -2.336 -9.794 -2.807 239 1HD2 LEU 31 1HD2 LEU 31 -3.677 -9.224 -5.549 240 2HD2 LEU 31 2HD2 LEU 31 -2.632 -10.273 -6.506 241 3HD2 LEU 31 3HD2 LEU 31 -1.935 -9.227 -5.271 242 H THR 32 H THR 32 -1.751 -14.916 -5.332 243 HA THR 32 HA THR 32 -4.450 -15.267 -5.965 244 HB THR 32 HB THR 32 -2.153 -17.213 -6.174 245 HG1 THR 32 HG1 THR 32 -2.002 -15.206 -7.392 246 1HG2 THR 32 1HG2 THR 32 -4.849 -17.310 -7.521 247 2HG2 THR 32 2HG2 THR 32 -4.268 -18.416 -6.276 248 3HG2 THR 32 3HG2 THR 32 -3.485 -18.381 -7.857 249 H GLN 33 H GLN 33 -2.388 -16.911 -3.610 250 HA GLN 33 HA GLN 33 -4.507 -18.679 -2.757 251 1HB GLN 33 1HB GLN 33 -1.722 -18.220 -1.669 252 2HB GLN 33 2HB GLN 33 -2.812 -19.500 -1.160 253 1HG GLN 33 1HG GLN 33 -2.777 -20.460 -3.376 254 2HG GLN 33 2HG GLN 33 -1.748 -19.150 -3.951 255 1HE2 GLN 33 1HE2 GLN 33 -0.111 -20.542 -4.572 256 2HE2 GLN 33 2HE2 GLN 33 0.886 -21.375 -3.433 257 H ALA 34 H ALA 34 -2.754 -15.902 -1.469 258 HA ALA 34 HA ALA 34 -4.717 -15.702 0.727 259 1HB ALA 34 1HB ALA 34 -2.998 -14.514 1.978 260 2HB ALA 34 2HB ALA 34 -1.891 -14.658 0.613 261 3HB ALA 34 3HB ALA 34 -2.417 -16.102 1.476 262 HA PRO 35 HA PRO 35 -5.595 -12.065 -1.813 263 1HB PRO 35 1HB PRO 35 -8.345 -12.331 -1.409 264 2HB PRO 35 2HB PRO 35 -7.432 -12.984 -2.767 265 1HG PRO 35 1HG PRO 35 -8.744 -14.445 -0.725 266 2HG PRO 35 2HG PRO 35 -7.686 -15.087 -1.991 267 1HD PRO 35 1HD PRO 35 -7.084 -14.476 0.850 268 2HD PRO 35 2HD PRO 35 -6.345 -15.675 -0.234 269 H ASP 36 H ASP 36 -7.516 -10.352 -1.329 270 HA ASP 36 HA ASP 36 -7.977 -8.486 -0.169 271 1HB ASP 36 1HB ASP 36 -8.489 -10.578 1.944 272 2HB ASP 36 2HB ASP 36 -8.954 -8.891 2.088 273 H GLY 37 H GLY 37 -6.027 -7.460 -0.193 274 1HA GLY 37 1HA GLY 37 -4.835 -7.006 2.369 275 2HA GLY 37 2HA GLY 37 -3.777 -7.882 1.273 276 H VAL 38 H VAL 38 -2.462 -5.915 1.682 277 HA VAL 38 HA VAL 38 -3.077 -3.872 -0.326 278 HB VAL 38 HB VAL 38 -2.158 -2.122 1.272 279 1HG1 VAL 38 1HG1 VAL 38 -4.311 -1.790 2.405 280 2HG1 VAL 38 2HG1 VAL 38 -4.779 -3.437 1.988 281 3HG1 VAL 38 3HG1 VAL 38 -4.532 -2.244 0.713 282 1HG2 VAL 38 1HG2 VAL 38 -2.393 -2.604 3.684 283 2HG2 VAL 38 2HG2 VAL 38 -1.154 -3.604 2.922 284 3HG2 VAL 38 3HG2 VAL 38 -2.736 -4.291 3.295 285 H VAL 39 H VAL 39 -1.301 -2.954 -1.314 286 HA VAL 39 HA VAL 39 1.368 -3.756 -0.393 287 HB VAL 39 HB VAL 39 0.731 -5.358 -2.159 288 1HG1 VAL 39 1HG1 VAL 39 0.438 -4.589 -4.478 289 2HG1 VAL 39 2HG1 VAL 39 0.456 -2.920 -3.909 290 3HG1 VAL 39 3HG1 VAL 39 -0.840 -4.006 -3.409 291 1HG2 VAL 39 1HG2 VAL 39 2.673 -5.047 -3.620 292 2HG2 VAL 39 2HG2 VAL 39 3.074 -4.749 -1.928 293 3HG2 VAL 39 3HG2 VAL 39 2.844 -3.393 -3.033 294 H LEU 40 H LEU 40 2.943 -2.204 -0.740 295 HA LEU 40 HA LEU 40 1.930 0.376 -1.692 296 1HB LEU 40 1HB LEU 40 4.289 -0.342 0.040 297 2HB LEU 40 2HB LEU 40 4.073 1.258 -0.635 298 HG LEU 40 HG LEU 40 1.805 1.290 0.549 299 1HD1 LEU 40 1HD1 LEU 40 1.594 -0.149 2.509 300 2HD1 LEU 40 2HD1 LEU 40 3.068 -1.002 2.048 301 3HD1 LEU 40 3HD1 LEU 40 1.636 -1.097 1.023 302 1HD2 LEU 40 1HD2 LEU 40 4.357 1.244 2.150 303 2HD2 LEU 40 2HD2 LEU 40 2.833 1.950 2.686 304 3HD2 LEU 40 3HD2 LEU 40 3.675 2.625 1.290 305 H LEU 41 H LEU 41 2.664 1.325 -3.477 306 HA LEU 41 HA LEU 41 4.703 -0.132 -5.017 307 1HB LEU 41 1HB LEU 41 2.227 0.294 -5.795 308 2HB LEU 41 2HB LEU 41 2.829 1.890 -6.195 309 HG LEU 41 HG LEU 41 2.761 0.291 -8.113 310 1HD1 LEU 41 1HD1 LEU 41 4.233 2.226 -8.192 311 2HD1 LEU 41 2HD1 LEU 41 4.972 0.839 -8.991 312 3HD1 LEU 41 3HD1 LEU 41 5.498 1.310 -7.374 313 1HD2 LEU 41 1HD2 LEU 41 4.480 -1.442 -8.246 314 2HD2 LEU 41 2HD2 LEU 41 3.360 -1.735 -6.916 315 3HD2 LEU 41 3HD2 LEU 41 4.966 -1.083 -6.589 316 H SER 42 H SER 42 6.639 0.771 -4.895 317 HA SER 42 HA SER 42 8.343 2.246 -4.987 318 1HB SER 42 1HB SER 42 6.287 4.188 -6.069 319 2HB SER 42 2HB SER 42 8.039 4.390 -6.141 320 HG SER 42 HG SER 42 8.195 2.751 -7.595 321 H SER 43 H SER 43 8.960 4.643 -4.195 322 HA SER 43 HA SER 43 7.486 5.242 -1.743 323 1HB SER 43 1HB SER 43 10.448 4.623 -1.734 324 2HB SER 43 2HB SER 43 9.456 5.048 -0.339 325 HG SER 43 HG SER 43 8.226 3.032 -1.392 326 H ASP 44 H ASP 44 8.422 6.590 -4.420 327 HA ASP 44 HA ASP 44 9.335 9.049 -3.089 328 1HB ASP 44 1HB ASP 44 11.287 8.150 -4.201 329 2HB ASP 44 2HB ASP 44 10.390 7.953 -5.702 330 HA PRO 45 HA PRO 45 5.776 10.280 -5.646 331 1HB PRO 45 1HB PRO 45 4.564 11.520 -3.411 332 2HB PRO 45 2HB PRO 45 4.114 9.973 -4.130 333 1HG PRO 45 1HG PRO 45 5.201 10.344 -1.582 334 2HG PRO 45 2HG PRO 45 5.107 8.806 -2.454 335 1HD PRO 45 1HD PRO 45 7.410 10.687 -2.164 336 2HD PRO 45 2HD PRO 45 7.402 8.910 -2.233 337 H LYS 46 H LYS 46 5.858 12.161 -6.733 338 HA LYS 46 HA LYS 46 7.503 14.286 -5.728 339 1HB LYS 46 1HB LYS 46 6.420 13.367 -8.287 340 2HB LYS 46 2HB LYS 46 6.493 15.100 -8.123 341 1HG LYS 46 1HG LYS 46 8.533 14.507 -9.106 342 2HG LYS 46 2HG LYS 46 8.915 14.770 -7.404 343 1HD LYS 46 1HD LYS 46 8.593 12.266 -7.096 344 2HD LYS 46 2HD LYS 46 8.601 12.154 -8.859 345 1HE LYS 46 1HE LYS 46 10.817 11.758 -8.327 346 2HE LYS 46 2HE LYS 46 10.823 13.487 -8.675 347 1HZ LYS 46 1HZ LYS 46 10.448 13.748 -6.172 348 2HZ LYS 46 2HZ LYS 46 11.994 13.312 -6.698 349 3HZ LYS 46 3HZ LYS 46 10.960 12.131 -6.054 350 H ARG 47 H ARG 47 4.130 13.573 -6.080 351 HA ARG 47 HA ARG 47 3.347 16.344 -5.656 352 1HB ARG 47 1HB ARG 47 1.721 13.827 -6.023 353 2HB ARG 47 2HB ARG 47 1.013 15.403 -5.705 354 1HG ARG 47 1HG ARG 47 2.083 16.240 -7.783 355 2HG ARG 47 2HG ARG 47 2.625 14.592 -8.114 356 1HD ARG 47 1HD ARG 47 0.328 13.820 -8.174 357 2HD ARG 47 2HD ARG 47 -0.251 15.429 -7.749 358 HE ARG 47 HE ARG 47 1.307 15.552 -10.111 359 1HH1 ARG 47 1HH1 ARG 47 -1.822 14.475 -8.937 360 2HH1 ARG 47 2HH1 ARG 47 -2.613 14.673 -10.476 361 1HH2 ARG 47 1HH2 ARG 47 0.279 15.827 -12.127 362 2HH2 ARG 47 2HH2 ARG 47 -1.406 15.443 -12.302 363 H THR 48 H THR 48 4.026 13.553 -3.833 364 HA THR 48 HA THR 48 2.764 14.771 -1.467 365 HB THR 48 HB THR 48 3.116 11.791 -1.754 366 HG1 THR 48 HG1 THR 48 0.827 13.343 -2.496 367 1HG2 THR 48 1HG2 THR 48 1.274 13.518 -0.087 368 2HG2 THR 48 2HG2 THR 48 2.693 12.643 0.492 369 3HG2 THR 48 3HG2 THR 48 1.286 11.756 -0.095 370 HA PRO 49 HA PRO 49 7.232 14.295 -0.607 371 1HB PRO 49 1HB PRO 49 7.155 16.835 0.723 372 2HB PRO 49 2HB PRO 49 7.928 16.429 -0.809 373 1HG PRO 49 1HG PRO 49 5.748 18.093 -0.560 374 2HG PRO 49 2HG PRO 49 6.178 17.216 -2.038 375 1HD PRO 49 1HD PRO 49 4.128 16.546 0.032 376 2HD PRO 49 2HD PRO 49 4.050 16.370 -1.736 377 H GLU 50 H GLU 50 4.628 15.329 1.540 378 HA GLU 50 HA GLU 50 6.291 14.899 3.887 379 1HB GLU 50 1HB GLU 50 3.465 15.937 3.636 380 2HB GLU 50 2HB GLU 50 4.401 15.888 5.124 381 1HG GLU 50 1HG GLU 50 6.045 17.403 4.130 382 2HG GLU 50 2HG GLU 50 5.088 17.463 2.654 383 H VAL 51 H VAL 51 5.695 12.558 2.436 384 HA VAL 51 HA VAL 51 3.621 11.079 3.744 385 HB VAL 51 HB VAL 51 6.067 9.992 2.323 386 1HG1 VAL 51 1HG1 VAL 51 4.936 8.323 3.678 387 2HG1 VAL 51 2HG1 VAL 51 4.683 7.998 1.962 388 3HG1 VAL 51 3HG1 VAL 51 3.393 8.726 2.922 389 1HG2 VAL 51 1HG2 VAL 51 4.854 11.496 0.852 390 2HG2 VAL 51 2HG2 VAL 51 3.344 10.656 1.208 391 3HG2 VAL 51 3HG2 VAL 51 4.631 9.822 0.339 392 H SER 52 H SER 52 6.925 11.843 4.398 393 HA SER 52 HA SER 52 7.506 9.843 6.276 394 1HB SER 52 1HB SER 52 8.744 12.575 6.120 395 2HB SER 52 2HB SER 52 9.489 11.052 6.550 396 HG SER 52 HG SER 52 8.777 10.475 4.250 397 H ASP 53 H ASP 53 5.292 12.269 6.460 398 HA ASP 53 HA ASP 53 5.622 13.698 8.758 399 1HB ASP 53 1HB ASP 53 3.748 14.011 7.209 400 2HB ASP 53 2HB ASP 53 3.045 12.490 7.739 401 H ASN 54 H ASN 54 3.678 10.700 8.675 402 HA ASN 54 HA ASN 54 4.876 9.702 11.080 403 1HB ASN 54 1HB ASN 54 3.223 11.489 11.866 404 2HB ASN 54 2HB ASN 54 1.950 10.429 11.272 405 1HD2 ASN 54 1HD2 ASN 54 1.083 10.146 13.314 406 2HD2 ASN 54 2HD2 ASN 54 1.859 9.182 14.523 407 HA PRO 55 HA PRO 55 3.328 6.415 8.406 408 1HB PRO 55 1HB PRO 55 5.149 4.566 9.075 409 2HB PRO 55 2HB PRO 55 5.564 5.954 8.060 410 1HG PRO 55 1HG PRO 55 6.058 5.528 10.980 411 2HG PRO 55 2HG PRO 55 7.135 6.214 9.749 412 1HD PRO 55 1HD PRO 55 5.647 7.711 11.511 413 2HD PRO 55 2HD PRO 55 6.202 8.295 9.932 414 H VAL 56 H VAL 56 1.905 6.897 10.802 415 HA VAL 56 HA VAL 56 1.664 4.211 11.982 416 HB VAL 56 HB VAL 56 0.614 6.850 13.035 417 1HG1 VAL 56 1HG1 VAL 56 0.160 5.617 15.097 418 2HG1 VAL 56 2HG1 VAL 56 0.682 4.122 14.321 419 3HG1 VAL 56 3HG1 VAL 56 -0.761 4.961 13.745 420 1HG2 VAL 56 1HG2 VAL 56 2.354 6.587 14.765 421 2HG2 VAL 56 2HG2 VAL 56 3.029 6.787 13.149 422 3HG2 VAL 56 3HG2 VAL 56 2.979 5.188 13.891 423 H MET 57 H MET 57 0.080 6.543 10.005 424 HA MET 57 HA MET 57 -2.595 6.020 10.644 425 1HB MET 57 1HB MET 57 -3.193 7.233 8.688 426 2HB MET 57 2HB MET 57 -1.772 8.001 9.374 427 1HG MET 57 1HG MET 57 -1.801 6.143 7.007 428 2HG MET 57 2HG MET 57 -1.672 7.897 6.950 429 1HE MET 57 1HE MET 57 1.919 6.883 5.855 430 2HE MET 57 2HE MET 57 0.502 7.874 5.501 431 3HE MET 57 3HE MET 57 0.394 6.116 5.412 432 H ILE 58 H ILE 58 -0.402 4.322 8.510 433 HA ILE 58 HA ILE 58 -2.423 2.833 7.158 434 HB ILE 58 HB ILE 58 0.502 2.169 7.549 435 1HG1 ILE 58 1HG1 ILE 58 0.152 4.292 6.364 436 2HG1 ILE 58 2HG1 ILE 58 0.789 3.062 5.278 437 1HG2 ILE 58 1HG2 ILE 58 -1.476 1.026 5.578 438 2HG2 ILE 58 2HG2 ILE 58 -0.831 0.191 6.990 439 3HG2 ILE 58 3HG2 ILE 58 0.244 0.643 5.667 440 1HD1 ILE 58 1HD1 ILE 58 -0.937 4.383 4.201 441 2HD1 ILE 58 2HD1 ILE 58 -2.086 3.934 5.460 442 3HD1 ILE 58 3HD1 ILE 58 -1.448 2.704 4.371 443 H GLY 59 H GLY 59 -0.544 2.366 10.082 444 1HA GLY 59 1HA GLY 59 -1.246 -0.382 10.442 445 2HA GLY 59 2HA GLY 59 -0.508 0.671 11.641 446 H GLU 60 H GLU 60 -2.420 2.662 11.830 447 HA GLU 60 HA GLU 60 -4.291 1.392 13.550 448 1HB GLU 60 1HB GLU 60 -5.161 3.653 13.919 449 2HB GLU 60 2HB GLU 60 -3.413 3.604 14.058 450 1HG GLU 60 1HG GLU 60 -3.268 4.472 11.736 451 2HG GLU 60 2HG GLU 60 -5.021 4.647 11.738 452 H LEU 61 H LEU 61 -4.394 2.551 10.250 453 HA LEU 61 HA LEU 61 -7.178 2.605 9.886 454 1HB LEU 61 1HB LEU 61 -5.562 3.553 8.292 455 2HB LEU 61 2HB LEU 61 -5.021 1.937 7.885 456 HG LEU 61 HG LEU 61 -7.303 1.435 7.025 457 1HD1 LEU 61 1HD1 LEU 61 -8.830 3.299 6.597 458 2HD1 LEU 61 2HD1 LEU 61 -7.751 4.380 7.478 459 3HD1 LEU 61 3HD1 LEU 61 -8.560 3.062 8.325 460 1HD2 LEU 61 1HD2 LEU 61 -7.071 2.729 4.972 461 2HD2 LEU 61 2HD2 LEU 61 -5.509 2.117 5.518 462 3HD2 LEU 61 3HD2 LEU 61 -5.933 3.810 5.777 463 H LEU 62 H LEU 62 -4.816 -0.002 9.399 464 HA LEU 62 HA LEU 62 -6.751 -1.907 8.566 465 1HB LEU 62 1HB LEU 62 -3.899 -2.026 9.411 466 2HB LEU 62 2HB LEU 62 -4.818 -3.517 9.406 467 HG LEU 62 HG LEU 62 -5.322 -3.203 7.018 468 1HD1 LEU 62 1HD1 LEU 62 -3.493 -0.812 7.194 469 2HD1 LEU 62 2HD1 LEU 62 -5.237 -0.761 6.937 470 3HD1 LEU 62 3HD1 LEU 62 -4.190 -1.489 5.721 471 1HD2 LEU 62 1HD2 LEU 62 -3.384 -4.516 7.672 472 2HD2 LEU 62 2HD2 LEU 62 -2.388 -3.060 7.690 473 3HD2 LEU 62 3HD2 LEU 62 -3.070 -3.641 6.172 474 H ARG 63 H ARG 63 -5.571 -0.870 11.685 475 HA ARG 63 HA ARG 63 -6.703 -3.088 13.112 476 1HB ARG 63 1HB ARG 63 -5.614 -0.430 14.016 477 2HB ARG 63 2HB ARG 63 -6.278 -1.616 15.131 478 1HG ARG 63 1HG ARG 63 -3.957 -2.097 13.274 479 2HG ARG 63 2HG ARG 63 -3.826 -1.704 14.988 480 1HD ARG 63 1HD ARG 63 -4.991 -3.740 15.583 481 2HD ARG 63 2HD ARG 63 -5.258 -4.115 13.880 482 HE ARG 63 HE ARG 63 -2.716 -4.168 13.770 483 1HH1 ARG 63 1HH1 ARG 63 -4.574 -5.132 16.575 484 2HH1 ARG 63 2HH1 ARG 63 -3.321 -6.163 17.201 485 1HH2 ARG 63 1HH2 ARG 63 -1.094 -5.544 14.554 486 2HH2 ARG 63 2HH2 ARG 63 -1.329 -6.394 16.053 487 H GLU 64 H GLU 64 -7.991 -0.278 11.718 488 HA GLU 64 HA GLU 64 -10.211 0.068 13.442 489 1HB GLU 64 1HB GLU 64 -9.513 1.895 12.118 490 2HB GLU 64 2HB GLU 64 -9.456 0.924 10.658 491 1HG GLU 64 1HG GLU 64 -11.284 2.383 10.529 492 2HG GLU 64 2HG GLU 64 -11.894 0.750 10.727 493 H PHE 65 H PHE 65 -9.396 -2.011 10.764 494 HA PHE 65 HA PHE 65 -11.879 -3.486 11.233 495 1HB PHE 65 1HB PHE 65 -12.184 -2.027 9.201 496 2HB PHE 65 2HB PHE 65 -10.870 -2.914 8.436 497 HD1 PHE 65 HD1 PHE 65 -14.238 -3.320 9.930 498 HD2 PHE 65 HD2 PHE 65 -11.287 -4.929 7.317 499 HE1 PHE 65 HE1 PHE 65 -15.853 -5.001 9.145 500 HE2 PHE 65 HE2 PHE 65 -12.896 -6.614 6.535 501 HZ PHE 65 HZ PHE 65 -15.183 -6.653 7.445 502 HA PRO 66 HA PRO 66 -8.187 -6.211 10.935 503 1HB PRO 66 1HB PRO 66 -7.921 -6.914 13.492 504 2HB PRO 66 2HB PRO 66 -7.372 -5.334 12.924 505 1HG PRO 66 1HG PRO 66 -9.767 -6.041 14.528 506 2HG PRO 66 2HG PRO 66 -8.805 -4.554 14.542 507 1HD PRO 66 1HD PRO 66 -11.263 -5.017 13.183 508 2HD PRO 66 2HD PRO 66 -10.231 -3.579 13.075 509 H ASP 67 H ASP 67 -11.374 -6.612 11.352 510 HA ASP 67 HA ASP 67 -11.616 -9.189 12.497 511 1HB ASP 67 1HB ASP 67 -13.477 -7.552 12.369 512 2HB ASP 67 2HB ASP 67 -13.527 -7.778 10.624 513 H TYR 68 H TYR 68 -10.747 -8.084 9.408 514 HA TYR 68 HA TYR 68 -10.888 -10.812 8.336 515 1HB TYR 68 1HB TYR 68 -12.278 -8.959 7.201 516 2HB TYR 68 2HB TYR 68 -10.737 -8.297 6.673 517 HD1 TYR 68 HD1 TYR 68 -10.448 -11.804 6.773 518 HD2 TYR 68 HD2 TYR 68 -12.114 -8.652 4.450 519 HE1 TYR 68 HE1 TYR 68 -10.503 -13.285 4.811 520 HE2 TYR 68 HE2 TYR 68 -12.175 -10.125 2.487 521 HH TYR 68 HH TYR 68 -10.954 -12.159 1.675 522 H THR 69 H THR 69 -8.991 -11.716 7.834 523 HA THR 69 HA THR 69 -6.571 -10.506 8.632 524 HB THR 69 HB THR 69 -5.514 -12.519 7.502 525 HG1 THR 69 HG1 THR 69 -7.373 -12.760 6.023 526 1HG2 THR 69 1HG2 THR 69 -7.725 -13.036 9.499 527 2HG2 THR 69 2HG2 THR 69 -6.093 -12.491 9.889 528 3HG2 THR 69 3HG2 THR 69 -6.347 -14.089 9.188 529 H TRP 70 H TRP 70 -5.670 -8.878 7.586 530 HA TRP 70 HA TRP 70 -5.891 -8.580 4.715 531 1HB TRP 70 1HB TRP 70 -4.514 -6.911 6.830 532 2HB TRP 70 2HB TRP 70 -4.532 -6.507 5.120 533 HD1 TRP 70 HD1 TRP 70 -6.747 -6.488 8.221 534 HE1 TRP 70 HE1 TRP 70 -8.873 -5.131 7.709 535 HE3 TRP 70 HE3 TRP 70 -6.090 -5.845 3.199 536 HZ2 TRP 70 HZ2 TRP 70 -10.103 -3.941 5.461 537 HZ3 TRP 70 HZ3 TRP 70 -7.778 -4.582 1.939 538 HH2 TRP 70 HH2 TRP 70 -9.750 -3.652 3.049 539 H GLN 71 H GLN 71 -4.385 -9.123 3.256 540 HA GLN 71 HA GLN 71 -1.843 -10.163 4.241 541 1HB GLN 71 1HB GLN 71 -3.446 -10.592 1.865 542 2HB GLN 71 2HB GLN 71 -1.776 -10.227 1.446 543 1HG GLN 71 1HG GLN 71 -1.905 -12.569 1.657 544 2HG GLN 71 2HG GLN 71 -1.084 -11.983 3.101 545 1HE2 GLN 71 1HE2 GLN 71 -4.550 -12.027 2.339 546 2HE2 GLN 71 2HE2 GLN 71 -4.991 -13.033 3.673 547 H VAL 72 H VAL 72 -0.438 -8.626 4.759 548 HA VAL 72 HA VAL 72 -0.348 -6.163 3.169 549 HB VAL 72 HB VAL 72 1.080 -6.742 5.770 550 1HG1 VAL 72 1HG1 VAL 72 2.073 -4.938 4.486 551 2HG1 VAL 72 2HG1 VAL 72 1.247 -4.295 5.905 552 3HG1 VAL 72 3HG1 VAL 72 0.496 -4.167 4.315 553 1HG2 VAL 72 1HG2 VAL 72 -1.557 -5.345 5.320 554 2HG2 VAL 72 2HG2 VAL 72 -0.706 -5.466 6.860 555 3HG2 VAL 72 3HG2 VAL 72 -1.336 -6.919 6.085 556 H ALA 73 H ALA 73 1.045 -6.108 1.553 557 HA ALA 73 HA ALA 73 3.620 -7.505 1.898 558 1HB ALA 73 1HB ALA 73 2.047 -7.182 -0.657 559 2HB ALA 73 2HB ALA 73 2.198 -8.669 0.280 560 3HB ALA 73 3HB ALA 73 3.618 -7.971 -0.500 561 H ILE 74 H ILE 74 5.410 -6.356 1.536 562 HA ILE 74 HA ILE 74 5.166 -3.818 0.064 563 HB ILE 74 HB ILE 74 6.965 -2.880 1.528 564 1HG1 ILE 74 1HG1 ILE 74 6.330 -5.314 3.206 565 2HG1 ILE 74 2HG1 ILE 74 7.860 -4.966 2.416 566 1HG2 ILE 74 1HG2 ILE 74 5.456 -2.368 3.419 567 2HG2 ILE 74 2HG2 ILE 74 4.371 -3.640 2.864 568 3HG2 ILE 74 3HG2 ILE 74 4.657 -2.226 1.853 569 1HD1 ILE 74 1HD1 ILE 74 6.628 -3.388 4.650 570 2HD1 ILE 74 2HD1 ILE 74 8.152 -3.009 3.851 571 3HD1 ILE 74 3HD1 ILE 74 7.990 -4.501 4.781 572 H ALA 75 H ALA 75 7.028 -3.218 -1.169 573 HA ALA 75 HA ALA 75 8.760 -5.534 -1.736 574 1HB ALA 75 1HB ALA 75 7.022 -5.316 -3.425 575 2HB ALA 75 2HB ALA 75 8.617 -4.993 -4.104 576 3HB ALA 75 3HB ALA 75 7.525 -3.655 -3.739 577 H ASP 76 H ASP 76 10.696 -4.917 -3.080 578 HA ASP 76 HA ASP 76 12.188 -2.807 -1.919 579 1HB ASP 76 1HB ASP 76 13.389 -4.666 -2.788 580 2HB ASP 76 2HB ASP 76 12.581 -4.558 -4.340 581 H LEU 77 H LEU 77 13.176 -1.013 -3.282 582 HA LEU 77 HA LEU 77 10.988 0.597 -4.110 583 1HB LEU 77 1HB LEU 77 12.917 1.564 -2.997 584 2HB LEU 77 2HB LEU 77 13.962 1.057 -4.310 585 HG LEU 77 HG LEU 77 12.787 2.590 -5.831 586 1HD1 LEU 77 1HD1 LEU 77 10.609 2.602 -4.735 587 2HD1 LEU 77 2HD1 LEU 77 11.224 4.241 -4.950 588 3HD1 LEU 77 3HD1 LEU 77 11.299 3.472 -3.364 589 1HD2 LEU 77 1HD2 LEU 77 13.651 4.676 -4.899 590 2HD2 LEU 77 2HD2 LEU 77 14.792 3.350 -4.675 591 3HD2 LEU 77 3HD2 LEU 77 13.809 3.905 -3.321 592 H GLU 78 H GLU 78 13.837 -0.581 -5.912 593 HA GLU 78 HA GLU 78 12.726 0.233 -8.411 594 1HB GLU 78 1HB GLU 78 15.124 -1.443 -7.699 595 2HB GLU 78 2HB GLU 78 14.666 -1.089 -9.363 596 1HG GLU 78 1HG GLU 78 14.836 1.301 -8.908 597 2HG GLU 78 2HG GLU 78 15.298 0.953 -7.246 598 H GLN 79 H GLN 79 12.609 -2.627 -6.491 599 HA GLN 79 HA GLN 79 11.579 -4.409 -8.419 600 1HB GLN 79 1HB GLN 79 12.318 -5.100 -6.163 601 2HB GLN 79 2HB GLN 79 10.952 -4.241 -5.464 602 1HG GLN 79 1HG GLN 79 9.503 -5.751 -6.947 603 2HG GLN 79 2HG GLN 79 10.957 -6.737 -7.113 604 1HE2 GLN 79 1HE2 GLN 79 8.406 -7.331 -5.873 605 2HE2 GLN 79 2HE2 GLN 79 8.755 -7.775 -4.234 606 H SER 80 H SER 80 10.134 -1.859 -6.484 607 HA SER 80 HA SER 80 7.428 -2.415 -7.024 608 1HB SER 80 1HB SER 80 8.799 0.207 -6.401 609 2HB SER 80 2HB SER 80 7.049 -0.018 -6.444 610 HG SER 80 HG SER 80 8.904 -1.303 -4.710 611 H GLU 81 H GLU 81 9.817 -0.431 -8.703 612 HA GLU 81 HA GLU 81 8.238 0.566 -10.741 613 1HB GLU 81 1HB GLU 81 11.133 -0.198 -10.583 614 2HB GLU 81 2HB GLU 81 10.447 0.285 -12.123 615 1HG GLU 81 1HG GLU 81 11.462 2.193 -11.171 616 2HG GLU 81 2HG GLU 81 9.722 2.417 -11.056 617 H ALA 82 H ALA 82 9.707 -2.615 -10.392 618 HA ALA 82 HA ALA 82 8.972 -3.534 -12.996 619 1HB ALA 82 1HB ALA 82 9.699 -5.152 -10.555 620 2HB ALA 82 2HB ALA 82 10.847 -4.495 -11.720 621 3HB ALA 82 3HB ALA 82 9.682 -5.719 -12.225 622 H ILE 83 H ILE 83 7.583 -3.895 -9.752 623 HA ILE 83 HA ILE 83 5.481 -5.637 -10.500 624 HB ILE 83 HB ILE 83 5.827 -3.769 -8.158 625 1HG1 ILE 83 1HG1 ILE 83 5.628 -6.784 -8.324 626 2HG1 ILE 83 2HG1 ILE 83 7.141 -5.890 -8.247 627 1HG2 ILE 83 1HG2 ILE 83 3.446 -3.796 -8.637 628 2HG2 ILE 83 2HG2 ILE 83 3.786 -4.713 -7.170 629 3HG2 ILE 83 3HG2 ILE 83 3.458 -5.557 -8.681 630 1HD1 ILE 83 1HD1 ILE 83 6.544 -6.790 -6.078 631 2HD1 ILE 83 2HD1 ILE 83 5.001 -5.933 -6.129 632 3HD1 ILE 83 3HD1 ILE 83 6.512 -5.027 -6.051 633 H GLY 84 H GLY 84 5.677 -2.110 -10.196 634 1HA GLY 84 1HA GLY 84 3.010 -1.560 -10.936 635 2HA GLY 84 2HA GLY 84 4.362 -0.444 -11.065 636 H ASP 85 H ASP 85 5.985 -1.784 -12.843 637 HA ASP 85 HA ASP 85 4.956 -1.059 -15.333 638 1HB ASP 85 1HB ASP 85 7.352 -1.293 -14.958 639 2HB ASP 85 2HB ASP 85 7.165 -3.019 -14.674 640 H ARG 86 H ARG 86 5.250 -4.259 -13.866 641 HA ARG 86 HA ARG 86 4.244 -5.701 -16.057 642 1HB ARG 86 1HB ARG 86 5.567 -6.643 -14.149 643 2HB ARG 86 2HB ARG 86 4.122 -6.518 -13.155 644 1HG ARG 86 1HG ARG 86 2.950 -8.052 -14.636 645 2HG ARG 86 2HG ARG 86 4.377 -8.161 -15.665 646 1HD ARG 86 1HD ARG 86 5.633 -9.027 -13.678 647 2HD ARG 86 2HD ARG 86 4.095 -9.099 -12.817 648 HE ARG 86 HE ARG 86 3.539 -10.507 -15.024 649 1HH1 ARG 86 1HH1 ARG 86 6.186 -10.703 -12.718 650 2HH1 ARG 86 2HH1 ARG 86 6.528 -12.367 -13.090 651 1HH2 ARG 86 1HH2 ARG 86 3.983 -12.695 -15.470 652 2HH2 ARG 86 2HH2 ARG 86 5.281 -13.494 -14.642 653 H PHE 87 H PHE 87 2.636 -3.898 -13.575 654 HA PHE 87 HA PHE 87 0.105 -5.253 -14.206 655 1HB PHE 87 1HB PHE 87 1.100 -4.818 -11.784 656 2HB PHE 87 2HB PHE 87 0.307 -3.261 -12.000 657 HD1 PHE 87 HD1 PHE 87 -1.871 -3.062 -11.283 658 HD2 PHE 87 HD2 PHE 87 -0.419 -6.894 -12.440 659 HE1 PHE 87 HE1 PHE 87 -4.019 -4.075 -10.632 660 HE2 PHE 87 HE2 PHE 87 -2.561 -7.910 -11.793 661 HZ PHE 87 HZ PHE 87 -4.365 -6.498 -10.887 662 H GLY 88 H GLY 88 1.825 -2.588 -15.100 663 1HA GLY 88 1HA GLY 88 1.273 -0.783 -16.412 664 2HA GLY 88 2HA GLY 88 -0.352 -1.446 -16.531 665 H VAL 89 H VAL 89 1.355 -0.538 -13.582 666 HA VAL 89 HA VAL 89 -0.628 1.616 -13.193 667 HB VAL 89 HB VAL 89 0.585 -0.102 -11.012 668 1HG1 VAL 89 1HG1 VAL 89 -1.092 0.918 -9.561 669 2HG1 VAL 89 2HG1 VAL 89 -1.656 1.913 -10.902 670 3HG1 VAL 89 3HG1 VAL 89 -0.029 2.141 -10.260 671 1HG2 VAL 89 1HG2 VAL 89 -1.633 -1.123 -10.806 672 2HG2 VAL 89 2HG2 VAL 89 -0.919 -1.427 -12.391 673 3HG2 VAL 89 3HG2 VAL 89 -2.180 -0.207 -12.209 674 H PHE 90 H PHE 90 2.637 0.801 -13.454 675 HA PHE 90 HA PHE 90 3.790 2.518 -11.534 676 1HB PHE 90 1HB PHE 90 5.123 0.728 -12.420 677 2HB PHE 90 2HB PHE 90 4.951 1.343 -14.062 678 HD1 PHE 90 HD1 PHE 90 6.056 2.626 -10.736 679 HD2 PHE 90 HD2 PHE 90 6.787 2.415 -14.921 680 HE1 PHE 90 HE1 PHE 90 8.084 3.981 -10.446 681 HE2 PHE 90 HE2 PHE 90 8.825 3.765 -14.639 682 HZ PHE 90 HZ PHE 90 9.474 4.554 -12.397 683 H ARG 91 H ARG 91 3.567 4.593 -11.472 684 HA ARG 91 HA ARG 91 4.795 6.244 -13.385 685 1HB ARG 91 1HB ARG 91 2.600 5.854 -14.563 686 2HB ARG 91 2HB ARG 91 1.798 6.639 -13.209 687 1HG ARG 91 1HG ARG 91 2.142 8.146 -15.127 688 2HG ARG 91 2HG ARG 91 2.948 8.709 -13.660 689 1HD ARG 91 1HD ARG 91 5.062 7.747 -14.478 690 2HD ARG 91 2HD ARG 91 4.246 7.242 -15.957 691 HE ARG 91 HE ARG 91 3.760 9.805 -16.107 692 1HH1 ARG 91 1HH1 ARG 91 6.717 8.284 -15.022 693 2HH1 ARG 91 2HH1 ARG 91 7.743 9.591 -15.524 694 1HH2 ARG 91 1HH2 ARG 91 5.074 11.527 -16.785 695 2HH2 ARG 91 2HH2 ARG 91 6.799 11.453 -16.557 696 H PHE 92 H PHE 92 2.625 5.851 -10.682 697 HA PHE 92 HA PHE 92 4.122 7.889 -9.238 698 1HB PHE 92 1HB PHE 92 2.170 9.013 -8.411 699 2HB PHE 92 2HB PHE 92 2.017 8.949 -10.161 700 HD1 PHE 92 HD1 PHE 92 0.628 6.938 -11.096 701 HD2 PHE 92 HD2 PHE 92 0.400 8.367 -7.091 702 HE1 PHE 92 HE1 PHE 92 -1.584 5.892 -10.849 703 HE2 PHE 92 HE2 PHE 92 -1.813 7.329 -6.842 704 HZ PHE 92 HZ PHE 92 -2.806 6.086 -8.718 705 HA PRO 93 HA PRO 93 3.893 4.741 -6.109 706 1HB PRO 93 1HB PRO 93 4.265 6.844 -4.106 707 2HB PRO 93 2HB PRO 93 5.347 5.522 -4.556 708 1HG PRO 93 1HG PRO 93 5.895 8.086 -5.158 709 2HG PRO 93 2HG PRO 93 6.364 6.749 -6.221 710 1HD PRO 93 1HD PRO 93 4.039 8.628 -6.451 711 2HD PRO 93 2HD PRO 93 5.144 8.045 -7.717 712 H ALA 94 H ALA 94 2.326 3.863 -4.872 713 HA ALA 94 HA ALA 94 0.374 5.444 -3.480 714 1HB ALA 94 1HB ALA 94 -0.473 5.616 -5.781 715 2HB ALA 94 2HB ALA 94 -1.576 4.713 -4.745 716 3HB ALA 94 3HB ALA 94 -0.537 3.857 -5.884 717 H THR 95 H THR 95 -1.206 4.105 -2.352 718 HA THR 95 HA THR 95 -0.128 1.461 -1.699 719 HB THR 95 HB THR 95 -2.374 2.949 -0.320 720 HG1 THR 95 HG1 THR 95 0.153 3.649 -0.410 721 1HG2 THR 95 1HG2 THR 95 -0.578 0.695 0.592 722 2HG2 THR 95 2HG2 THR 95 -2.282 0.551 0.159 723 3HG2 THR 95 3HG2 THR 95 -1.807 1.489 1.576 724 H LEU 96 H LEU 96 -0.952 -0.200 -2.787 725 HA LEU 96 HA LEU 96 -3.548 0.100 -4.098 726 1HB LEU 96 1HB LEU 96 -1.566 -2.155 -4.405 727 2HB LEU 96 2HB LEU 96 -2.895 -1.753 -5.474 728 HG LEU 96 HG LEU 96 -0.376 -0.142 -5.072 729 1HD1 LEU 96 1HD1 LEU 96 -0.029 -2.162 -6.374 730 2HD1 LEU 96 2HD1 LEU 96 0.081 -0.730 -7.398 731 3HD1 LEU 96 3HD1 LEU 96 -1.372 -1.730 -7.431 732 1HD2 LEU 96 1HD2 LEU 96 -1.213 1.312 -6.844 733 2HD2 LEU 96 2HD2 LEU 96 -2.305 1.312 -5.458 734 3HD2 LEU 96 3HD2 LEU 96 -2.714 0.387 -6.903 735 H VAL 97 H VAL 97 -5.334 -0.977 -3.441 736 HA VAL 97 HA VAL 97 -4.962 -3.074 -1.406 737 HB VAL 97 HB VAL 97 -5.932 -1.115 -0.352 738 1HG1 VAL 97 1HG1 VAL 97 -8.134 -0.250 -1.007 739 2HG1 VAL 97 2HG1 VAL 97 -8.114 -1.308 -2.419 740 3HG1 VAL 97 3HG1 VAL 97 -6.915 -0.024 -2.262 741 1HG2 VAL 97 1HG2 VAL 97 -7.979 -2.115 0.571 742 2HG2 VAL 97 2HG2 VAL 97 -6.664 -3.283 0.458 743 3HG2 VAL 97 3HG2 VAL 97 -7.972 -3.310 -0.725 744 H PHE 98 H PHE 98 -6.011 -4.952 -1.668 745 HA PHE 98 HA PHE 98 -7.526 -5.259 -4.172 746 1HB PHE 98 1HB PHE 98 -6.161 -7.437 -2.594 747 2HB PHE 98 2HB PHE 98 -6.825 -7.556 -4.215 748 HD1 PHE 98 HD1 PHE 98 -5.701 -6.394 -6.091 749 HD2 PHE 98 HD2 PHE 98 -3.972 -6.646 -2.213 750 HE1 PHE 98 HE1 PHE 98 -3.503 -5.830 -7.039 751 HE2 PHE 98 HE2 PHE 98 -1.770 -6.082 -3.151 752 HZ PHE 98 HZ PHE 98 -1.535 -5.671 -5.567 753 H THR 99 H THR 99 -9.607 -5.688 -4.005 754 HA THR 99 HA THR 99 -10.664 -6.727 -1.472 755 HB THR 99 HB THR 99 -12.913 -6.057 -2.645 756 HG1 THR 99 HG1 THR 99 -12.418 -4.098 -3.962 757 1HG2 THR 99 1HG2 THR 99 -10.984 -3.975 -1.609 758 2HG2 THR 99 2HG2 THR 99 -12.043 -4.986 -0.626 759 3HG2 THR 99 3HG2 THR 99 -12.733 -3.789 -1.725 760 H GLY 100 H GLY 100 -11.325 -8.770 -1.374 761 1HA GLY 100 1HA GLY 100 -11.899 -10.898 -2.057 762 2HA GLY 100 2HA GLY 100 -12.445 -10.200 -3.578 763 H GLY 101 H GLY 101 -9.292 -9.333 -2.791 764 1HA GLY 101 1HA GLY 101 -7.223 -10.299 -3.389 765 2HA GLY 101 2HA GLY 101 -8.087 -11.559 -4.257 766 H ASN 102 H ASN 102 -9.695 -8.984 -5.242 767 HA ASN 102 HA ASN 102 -8.058 -8.779 -7.658 768 1HB ASN 102 1HB ASN 102 -10.940 -8.171 -7.085 769 2HB ASN 102 2HB ASN 102 -10.158 -7.588 -8.546 770 1HD2 ASN 102 1HD2 ASN 102 -9.397 -10.664 -7.059 771 2HD2 ASN 102 2HD2 ASN 102 -10.077 -11.645 -8.306 772 H TYR 103 H TYR 103 -7.359 -6.868 -8.507 773 HA TYR 103 HA TYR 103 -6.952 -4.721 -6.639 774 1HB TYR 103 1HB TYR 103 -5.145 -5.299 -8.145 775 2HB TYR 103 2HB TYR 103 -6.179 -5.048 -9.548 776 HD1 TYR 103 HD1 TYR 103 -4.746 -3.234 -6.625 777 HD2 TYR 103 HD2 TYR 103 -6.167 -2.988 -10.626 778 HE1 TYR 103 HE1 TYR 103 -4.000 -0.895 -6.742 779 HE2 TYR 103 HE2 TYR 103 -5.424 -0.651 -10.757 780 HH TYR 103 HH TYR 103 -3.378 0.756 -8.435 781 H ARG 104 H ARG 104 -8.567 -3.341 -6.239 782 HA ARG 104 HA ARG 104 -9.890 -2.112 -8.549 783 1HB ARG 104 1HB ARG 104 -11.219 -3.992 -7.170 784 2HB ARG 104 2HB ARG 104 -11.602 -2.592 -6.174 785 1HG ARG 104 1HG ARG 104 -13.352 -2.702 -7.707 786 2HG ARG 104 2HG ARG 104 -12.286 -1.455 -8.362 787 1HD ARG 104 1HD ARG 104 -12.872 -2.804 -10.207 788 2HD ARG 104 2HD ARG 104 -11.241 -3.303 -9.763 789 HE ARG 104 HE ARG 104 -13.525 -4.810 -8.719 790 1HH1 ARG 104 1HH1 ARG 104 -10.706 -4.668 -10.799 791 2HH1 ARG 104 2HH1 ARG 104 -10.708 -6.369 -11.129 792 1HH2 ARG 104 1HH2 ARG 104 -13.516 -7.059 -9.144 793 2HH2 ARG 104 2HH2 ARG 104 -12.300 -7.737 -10.174 794 H GLY 105 H GLY 105 -8.489 -1.801 -5.425 795 1HA GLY 105 1HA GLY 105 -9.475 0.976 -5.277 796 2HA GLY 105 2HA GLY 105 -9.166 -0.012 -3.858 797 H VAL 106 H VAL 106 -8.073 2.596 -4.647 798 HA VAL 106 HA VAL 106 -5.272 1.928 -4.240 799 HB VAL 106 HB VAL 106 -5.465 2.202 -6.654 800 1HG1 VAL 106 1HG1 VAL 106 -7.443 3.601 -6.748 801 2HG1 VAL 106 2HG1 VAL 106 -6.121 4.333 -7.657 802 3HG1 VAL 106 3HG1 VAL 106 -6.542 4.952 -6.059 803 1HG2 VAL 106 1HG2 VAL 106 -3.404 2.946 -5.588 804 2HG2 VAL 106 2HG2 VAL 106 -4.087 4.555 -5.359 805 3HG2 VAL 106 3HG2 VAL 106 -3.781 3.952 -6.987 806 H LEU 107 H LEU 107 -4.317 3.228 -2.797 807 HA LEU 107 HA LEU 107 -5.652 5.760 -2.073 808 1HB LEU 107 1HB LEU 107 -3.918 3.947 -0.384 809 2HB LEU 107 2HB LEU 107 -4.524 5.507 0.132 810 HG LEU 107 HG LEU 107 -6.258 3.137 -0.571 811 1HD1 LEU 107 1HD1 LEU 107 -5.499 4.270 2.120 812 2HD1 LEU 107 2HD1 LEU 107 -4.943 2.738 1.447 813 3HD1 LEU 107 3HD1 LEU 107 -6.648 2.962 1.831 814 1HD2 LEU 107 1HD2 LEU 107 -7.356 5.284 -0.953 815 2HD2 LEU 107 2HD2 LEU 107 -6.930 5.801 0.679 816 3HD2 LEU 107 3HD2 LEU 107 -8.053 4.461 0.444 817 H ASN 108 H ASN 108 -4.556 7.521 -2.727 818 HA ASN 108 HA ASN 108 -1.640 7.243 -3.028 819 1HB ASN 108 1HB ASN 108 -1.736 8.824 -4.913 820 2HB ASN 108 2HB ASN 108 -2.675 7.372 -5.225 821 1HD2 ASN 108 1HD2 ASN 108 -2.732 10.781 -4.832 822 2HD2 ASN 108 2HD2 ASN 108 -4.399 11.016 -5.208 823 H GLY 109 H GLY 109 -0.551 8.380 -1.640 824 1HA GLY 109 1HA GLY 109 0.230 10.457 -0.816 825 2HA GLY 109 2HA GLY 109 -1.356 11.151 -1.124 826 H ILE 110 H ILE 110 -1.149 12.030 1.045 827 HA ILE 110 HA ILE 110 -1.426 10.060 3.200 828 HB ILE 110 HB ILE 110 -1.002 13.052 3.363 829 1HG1 ILE 110 1HG1 ILE 110 0.955 11.846 2.470 830 2HG1 ILE 110 2HG1 ILE 110 1.279 12.510 4.068 831 1HG2 ILE 110 1HG2 ILE 110 -0.977 10.968 5.540 832 2HG2 ILE 110 2HG2 ILE 110 -2.217 12.197 5.291 833 3HG2 ILE 110 3HG2 ILE 110 -0.578 12.672 5.742 834 1HD1 ILE 110 1HD1 ILE 110 2.204 10.283 3.845 835 2HD1 ILE 110 2HD1 ILE 110 0.611 9.643 3.439 836 3HD1 ILE 110 3HD1 ILE 110 0.913 10.299 5.047 837 H HIS 111 H HIS 111 -2.932 13.063 2.027 838 HA HIS 111 HA HIS 111 -5.057 13.876 2.147 839 1HB HIS 111 1HB HIS 111 -5.618 10.966 2.653 840 2HB HIS 111 2HB HIS 111 -6.900 12.158 2.823 841 HD1 HIS 111 HD1 HIS 111 -4.702 10.542 0.244 842 HD2 HIS 111 HD2 HIS 111 -7.913 13.165 0.456 843 HE1 HIS 111 HE1 HIS 111 -5.575 10.726 -2.106 844 HE2 HIS 111 HE2 HIS 111 -7.667 12.122 -1.890 845 HA PRO 112 HA PRO 112 -5.941 14.756 6.502 846 1HB PRO 112 1HB PRO 112 -8.703 15.000 6.278 847 2HB PRO 112 2HB PRO 112 -7.549 16.317 6.066 848 1HG PRO 112 1HG PRO 112 -8.958 14.684 4.015 849 2HG PRO 112 2HG PRO 112 -8.484 16.391 3.965 850 1HD PRO 112 1HD PRO 112 -7.144 14.463 2.623 851 2HD PRO 112 2HD PRO 112 -6.345 15.907 3.274 852 H TRP 113 H TRP 113 -6.421 13.399 8.183 853 HA TRP 113 HA TRP 113 -6.498 10.684 7.633 854 1HB TRP 113 1HB TRP 113 -5.605 11.665 9.705 855 2HB TRP 113 2HB TRP 113 -7.242 12.047 10.219 856 HD1 TRP 113 HD1 TRP 113 -7.452 10.512 12.275 857 HE1 TRP 113 HE1 TRP 113 -7.370 7.967 12.661 858 HE3 TRP 113 HE3 TRP 113 -5.800 9.049 7.663 859 HZ2 TRP 113 HZ2 TRP 113 -6.711 5.650 11.190 860 HZ3 TRP 113 HZ3 TRP 113 -5.474 6.649 7.237 861 HH2 TRP 113 HH2 TRP 113 -5.921 4.986 8.967 862 H ALA 114 H ALA 114 -9.165 12.767 8.726 863 HA ALA 114 HA ALA 114 -11.129 10.784 8.935 864 1HB ALA 114 1HB ALA 114 -11.518 13.666 8.131 865 2HB ALA 114 2HB ALA 114 -11.384 13.074 9.787 866 3HB ALA 114 3HB ALA 114 -12.750 12.585 8.786 867 H GLU 115 H GLU 115 -9.917 12.499 6.133 868 HA GLU 115 HA GLU 115 -12.001 11.633 4.354 869 1HB GLU 115 1HB GLU 115 -10.167 13.645 4.305 870 2HB GLU 115 2HB GLU 115 -9.405 12.485 3.227 871 1HG GLU 115 1HG GLU 115 -12.234 13.451 2.898 872 2HG GLU 115 2HG GLU 115 -10.844 14.216 2.136 873 H LEU 116 H LEU 116 -8.744 10.614 5.192 874 HA LEU 116 HA LEU 116 -8.376 8.743 3.115 875 1HB LEU 116 1HB LEU 116 -6.668 9.755 4.775 876 2HB LEU 116 2HB LEU 116 -7.161 8.466 5.854 877 HG LEU 116 HG LEU 116 -5.053 8.041 4.540 878 1HD1 LEU 116 1HD1 LEU 116 -6.274 6.205 5.552 879 2HD1 LEU 116 2HD1 LEU 116 -5.600 5.719 3.997 880 3HD1 LEU 116 3HD1 LEU 116 -7.319 6.095 4.136 881 1HD2 LEU 116 1HD2 LEU 116 -5.742 9.039 2.430 882 2HD2 LEU 116 2HD2 LEU 116 -6.991 7.809 2.238 883 3HD2 LEU 116 3HD2 LEU 116 -5.290 7.349 2.201 884 H ILE 117 H ILE 117 -9.607 8.366 6.437 885 HA ILE 117 HA ILE 117 -10.094 5.589 6.311 886 HB ILE 117 HB ILE 117 -11.709 7.625 7.872 887 1HG1 ILE 117 1HG1 ILE 117 -9.232 6.111 8.721 888 2HG1 ILE 117 2HG1 ILE 117 -9.272 7.820 8.300 889 1HG2 ILE 117 1HG2 ILE 117 -12.156 5.752 9.384 890 2HG2 ILE 117 2HG2 ILE 117 -11.243 4.677 8.325 891 3HG2 ILE 117 3HG2 ILE 117 -12.740 5.418 7.754 892 1HD1 ILE 117 1HD1 ILE 117 -10.756 8.260 10.170 893 2HD1 ILE 117 2HD1 ILE 117 -9.271 7.478 10.712 894 3HD1 ILE 117 3HD1 ILE 117 -10.763 6.544 10.582 895 H ASN 118 H ASN 118 -12.006 8.387 5.395 896 HA ASN 118 HA ASN 118 -14.450 7.178 4.790 897 1HB ASN 118 1HB ASN 118 -13.800 9.665 4.858 898 2HB ASN 118 2HB ASN 118 -13.232 9.442 3.215 899 1HD2 ASN 118 1HD2 ASN 118 -14.706 10.871 2.376 900 2HD2 ASN 118 2HD2 ASN 118 -16.403 10.516 2.273 901 H LEU 119 H LEU 119 -11.695 7.909 2.700 902 HA LEU 119 HA LEU 119 -12.595 6.753 0.339 903 1HB LEU 119 1HB LEU 119 -9.786 6.936 1.416 904 2HB LEU 119 2HB LEU 119 -10.191 6.530 -0.238 905 HG LEU 119 HG LEU 119 -10.830 9.145 1.117 906 1HD1 LEU 119 1HD1 LEU 119 -8.746 8.464 -0.954 907 2HD1 LEU 119 2HD1 LEU 119 -8.441 8.883 0.734 908 3HD1 LEU 119 3HD1 LEU 119 -9.127 10.083 -0.362 909 1HD2 LEU 119 1HD2 LEU 119 -12.464 8.527 -0.588 910 2HD2 LEU 119 2HD2 LEU 119 -11.164 8.279 -1.752 911 3HD2 LEU 119 3HD2 LEU 119 -11.478 9.891 -1.111 912 H MET 120 H MET 120 -10.758 5.281 2.986 913 HA MET 120 HA MET 120 -10.333 2.771 1.835 914 1HB MET 120 1HB MET 120 -9.311 3.662 3.964 915 2HB MET 120 2HB MET 120 -10.824 3.272 4.771 916 1HG MET 120 1HG MET 120 -9.167 1.530 5.120 917 2HG MET 120 2HG MET 120 -10.543 0.923 4.198 918 1HE MET 120 1HE MET 120 -9.056 -1.196 3.528 919 2HE MET 120 2HE MET 120 -7.679 -0.538 4.411 920 3HE MET 120 3HE MET 120 -7.481 -1.078 2.744 921 H ARG 121 H ARG 121 -13.042 3.852 3.905 922 HA ARG 121 HA ARG 121 -14.449 1.424 3.840 923 1HB ARG 121 1HB ARG 121 -15.396 4.265 4.258 924 2HB ARG 121 2HB ARG 121 -16.349 2.838 4.565 925 1HG ARG 121 1HG ARG 121 -14.766 2.117 6.274 926 2HG ARG 121 2HG ARG 121 -13.795 3.554 5.960 927 1HD ARG 121 1HD ARG 121 -15.124 3.967 7.908 928 2HD ARG 121 2HD ARG 121 -15.766 4.946 6.588 929 HE ARG 121 HE ARG 121 -17.253 2.646 6.525 930 1HH1 ARG 121 1HH1 ARG 121 -16.552 5.049 8.994 931 2HH1 ARG 121 2HH1 ARG 121 -18.069 4.828 9.812 932 1HH2 ARG 121 1HH2 ARG 121 -19.242 2.368 7.601 933 2HH2 ARG 121 2HH2 ARG 121 -19.603 3.319 9.007 934 H GLY 122 H GLY 122 -14.368 4.174 1.670 935 1HA GLY 122 1HA GLY 122 -16.574 3.373 0.071 936 2HA GLY 122 2HA GLY 122 -15.277 4.451 -0.427 937 H LEU 123 H LEU 123 -13.201 2.447 0.137 938 HA LEU 123 HA LEU 123 -13.330 1.097 -2.414 939 1HB LEU 123 1HB LEU 123 -11.171 1.172 -0.310 940 2HB LEU 123 2HB LEU 123 -11.009 0.404 -1.877 941 HG LEU 123 HG LEU 123 -11.454 3.357 -1.416 942 1HD1 LEU 123 1HD1 LEU 123 -9.148 3.586 -2.222 943 2HD1 LEU 123 2HD1 LEU 123 -8.994 1.829 -2.257 944 3HD1 LEU 123 3HD1 LEU 123 -9.238 2.664 -0.723 945 1HD2 LEU 123 1HD2 LEU 123 -10.905 1.829 -3.961 946 2HD2 LEU 123 2HD2 LEU 123 -11.041 3.580 -3.807 947 3HD2 LEU 123 3HD2 LEU 123 -12.447 2.557 -3.508 948 H VAL 124 H VAL 124 -13.258 0.187 1.016 949 HA VAL 124 HA VAL 124 -13.264 -2.635 0.371 950 HB VAL 124 HB VAL 124 -13.457 -3.032 2.769 951 1HG1 VAL 124 1HG1 VAL 124 -11.256 -2.654 1.788 952 2HG1 VAL 124 2HG1 VAL 124 -11.325 -2.069 3.449 953 3HG1 VAL 124 3HG1 VAL 124 -11.408 -0.927 2.108 954 1HG2 VAL 124 1HG2 VAL 124 -13.633 -0.034 3.025 955 2HG2 VAL 124 2HG2 VAL 124 -13.437 -1.165 4.365 956 3HG2 VAL 124 3HG2 VAL 124 -14.912 -1.192 3.396 957 H GLU 125 H GLU 125 -15.613 -0.200 0.814 958 HA GLU 125 HA GLU 125 -17.875 -1.438 1.642 959 1HB GLU 125 1HB GLU 125 -17.824 0.891 0.922 960 2HB GLU 125 2HB GLU 125 -17.690 0.393 -0.757 961 1HG GLU 125 1HG GLU 125 -19.944 1.043 -0.317 962 2HG GLU 125 2HG GLU 125 -19.896 -0.700 -0.566 963 HA PRO 126 HA PRO 126 -19.021 -3.456 -2.522 964 1HB PRO 126 1HB PRO 126 -16.753 -3.409 -4.331 965 2HB PRO 126 2HB PRO 126 -18.370 -2.742 -4.564 966 1HG PRO 126 1HG PRO 126 -16.165 -1.188 -4.279 967 2HG PRO 126 2HG PRO 126 -17.780 -0.679 -3.750 968 1HD PRO 126 1HD PRO 126 -15.521 -1.809 -2.130 969 2HD PRO 126 2HD PRO 126 -16.594 -0.443 -1.764 970 H GLN 127 H GLN 127 -18.980 -5.640 -2.909 971 HA GLN 127 HA GLN 127 -17.039 -7.153 -1.486 972 1HB GLN 127 1HB GLN 127 -18.413 -9.064 -2.759 973 2HB GLN 127 2HB GLN 127 -18.971 -8.307 -1.284 974 1HG GLN 127 1HG GLN 127 -20.790 -8.451 -2.813 975 2HG GLN 127 2HG GLN 127 -20.336 -6.759 -2.658 976 1HE2 GLN 127 1HE2 GLN 127 -20.398 -9.539 -4.745 977 2HE2 GLN 127 2HE2 GLN 127 -20.058 -8.697 -6.214 978 H GLN 128 H GLN 128 -17.763 -6.607 -4.792 979 HA GLN 128 HA GLN 128 -16.651 -6.830 -6.729 980 1HB GLN 128 1HB GLN 128 -14.281 -7.119 -4.890 981 2HB GLN 128 2HB GLN 128 -14.168 -6.990 -6.641 982 1HG GLN 128 1HG GLN 128 -15.254 -4.932 -4.741 983 2HG GLN 128 2HG GLN 128 -13.767 -4.835 -5.682 984 1HE2 GLN 128 1HE2 GLN 128 -17.222 -4.586 -5.754 985 2HE2 GLN 128 2HE2 GLN 128 -17.348 -3.920 -7.341 986 H GLU 129 H GLU 129 -16.938 -8.451 -8.035 987 HA GLU 129 HA GLU 129 -16.485 -11.169 -7.166 988 1HB GLU 129 1HB GLU 129 -17.268 -10.223 -9.926 989 2HB GLU 129 2HB GLU 129 -17.476 -11.831 -9.250 990 1HG GLU 129 1HG GLU 129 -19.574 -11.168 -8.869 991 2HG GLU 129 2HG GLU 129 -18.883 -10.330 -7.479 992 H ARG 130 H ARG 130 -15.127 -12.636 -8.325 993 HA ARG 130 HA ARG 130 -12.564 -11.552 -8.963 994 1HB ARG 130 1HB ARG 130 -13.714 -14.334 -9.037 995 2HB ARG 130 2HB ARG 130 -12.121 -14.001 -9.695 996 1HG ARG 130 1HG ARG 130 -11.841 -14.813 -7.483 997 2HG ARG 130 2HG ARG 130 -11.462 -13.090 -7.473 998 1HD ARG 130 1HD ARG 130 -13.670 -12.603 -6.567 999 2HD ARG 130 2HD ARG 130 -14.079 -14.317 -6.611 1000 HE ARG 130 HE ARG 130 -11.819 -14.235 -5.100 1001 1HH1 ARG 130 1HH1 ARG 130 -14.912 -12.596 -4.936 1002 2HH1 ARG 130 2HH1 ARG 130 -14.859 -12.409 -3.206 1003 1HH2 ARG 130 1HH2 ARG 130 -11.782 -14.015 -2.817 1004 2HH2 ARG 130 2HH2 ARG 130 -13.103 -13.232 -2.010 1005 H ALA 131 H ALA 131 -11.948 -10.732 -10.829 1006 HA ALA 131 HA ALA 131 -13.037 -11.822 -13.319 1007 1HB ALA 131 1HB ALA 131 -13.438 -9.585 -14.216 1008 2HB ALA 131 2HB ALA 131 -12.984 -8.875 -12.667 1009 3HB ALA 131 3HB ALA 131 -14.427 -9.880 -12.790 1010 H SER 132 H SER 132 -11.759 -11.167 -15.211 1011 HA SER 132 HA SER 132 -8.962 -10.605 -14.479 1012 1HB SER 132 1HB SER 132 -9.418 -12.894 -15.426 1013 2HB SER 132 2HB SER 132 -9.953 -12.122 -16.916 1014 HG SER 132 HG SER 132 -7.441 -11.359 -15.957 Start of MODEL 10 1 1H MET 1 1H MET 1 15.144 7.556 -6.666 2 HA MET 1 HA MET 1 16.930 9.696 -6.181 3 1HB MET 1 1HB MET 1 14.916 10.793 -5.195 4 2HB MET 1 2HB MET 1 14.795 9.471 -4.044 5 1HG MET 1 1HG MET 1 16.983 10.060 -3.133 6 2HG MET 1 2HG MET 1 17.108 11.383 -4.289 7 1HE MET 1 1HE MET 1 15.499 13.531 -4.255 8 2HE MET 1 2HE MET 1 14.161 13.714 -3.118 9 3HE MET 1 3HE MET 1 14.110 12.445 -4.343 10 H SER 2 H SER 2 17.892 7.509 -6.551 11 HA SER 2 HA SER 2 17.810 5.683 -4.317 12 1HB SER 2 1HB SER 2 19.567 5.561 -6.773 13 2HB SER 2 2HB SER 2 19.181 4.239 -5.672 14 HG SER 2 HG SER 2 17.913 4.806 -7.845 15 H ASN 3 H ASN 3 18.639 7.015 -2.686 16 HA ASN 3 HA ASN 3 21.568 7.218 -2.717 17 1HB ASN 3 1HB ASN 3 19.678 9.343 -1.660 18 2HB ASN 3 2HB ASN 3 21.429 9.366 -1.492 19 1HD2 ASN 3 1HD2 ASN 3 22.706 9.812 -3.289 20 2HD2 ASN 3 2HD2 ASN 3 22.053 10.507 -4.740 21 H ASP 4 H ASP 4 22.523 7.048 -0.587 22 HA ASP 4 HA ASP 4 20.991 5.241 1.060 23 1HB ASP 4 1HB ASP 4 23.780 6.300 1.465 24 2HB ASP 4 2HB ASP 4 23.055 4.951 2.329 25 H THR 5 H THR 5 19.417 6.707 1.722 26 HA THR 5 HA THR 5 19.688 7.535 4.357 27 HB THR 5 HB THR 5 19.804 9.829 2.398 28 HG1 THR 5 HG1 THR 5 21.658 8.844 3.709 29 1HG2 THR 5 1HG2 THR 5 18.798 9.934 5.240 30 2HG2 THR 5 2HG2 THR 5 17.873 10.294 3.783 31 3HG2 THR 5 3HG2 THR 5 19.211 11.339 4.259 32 HA PRO 6 HA PRO 6 15.288 8.810 2.900 33 1HB PRO 6 1HB PRO 6 15.152 8.259 0.018 34 2HB PRO 6 2HB PRO 6 14.674 9.708 0.904 35 1HG PRO 6 1HG PRO 6 16.829 9.667 -0.704 36 2HG PRO 6 2HG PRO 6 16.771 10.642 0.775 37 1HD PRO 6 1HD PRO 6 18.098 7.998 0.300 38 2HD PRO 6 2HD PRO 6 18.691 9.412 1.190 39 H PHE 7 H PHE 7 16.374 6.392 0.509 40 HA PHE 7 HA PHE 7 14.150 4.707 0.805 41 1HB PHE 7 1HB PHE 7 15.618 4.619 -1.149 42 2HB PHE 7 2HB PHE 7 16.943 4.041 -0.146 43 HD1 PHE 7 HD1 PHE 7 17.414 1.821 -0.414 44 HD2 PHE 7 HD2 PHE 7 13.370 3.103 -0.700 45 HE1 PHE 7 HE1 PHE 7 16.715 -0.497 -0.834 46 HE2 PHE 7 HE2 PHE 7 12.662 0.784 -1.123 47 HZ PHE 7 HZ PHE 7 14.335 -1.020 -1.191 48 H ASP 8 H ASP 8 17.257 4.790 2.448 49 HA ASP 8 HA ASP 8 17.059 2.321 3.799 50 1HB ASP 8 1HB ASP 8 19.137 3.679 3.619 51 2HB ASP 8 2HB ASP 8 18.440 4.853 4.713 52 H ALA 9 H ALA 9 16.467 5.612 4.899 53 HA ALA 9 HA ALA 9 15.400 4.986 7.410 54 1HB ALA 9 1HB ALA 9 16.104 7.248 6.733 55 2HB ALA 9 2HB ALA 9 14.483 7.234 7.424 56 3HB ALA 9 3HB ALA 9 14.696 7.356 5.678 57 H LEU 10 H LEU 10 13.828 5.369 4.278 58 HA LEU 10 HA LEU 10 11.172 5.231 5.078 59 1HB LEU 10 1HB LEU 10 12.648 5.087 2.627 60 2HB LEU 10 2HB LEU 10 11.412 3.845 2.616 61 HG LEU 10 HG LEU 10 10.640 5.914 1.561 62 1HD1 LEU 10 1HD1 LEU 10 9.002 4.474 2.630 63 2HD1 LEU 10 2HD1 LEU 10 8.547 6.169 2.813 64 3HD1 LEU 10 3HD1 LEU 10 9.260 5.295 4.169 65 1HD2 LEU 10 1HD2 LEU 10 10.263 7.919 2.917 66 2HD2 LEU 10 2HD2 LEU 10 11.974 7.506 2.822 67 3HD2 LEU 10 3HD2 LEU 10 11.061 7.139 4.283 68 H TRP 11 H TRP 11 13.237 2.532 3.937 69 HA TRP 11 HA TRP 11 11.168 0.634 4.358 70 1HB TRP 11 1HB TRP 11 13.392 0.493 2.909 71 2HB TRP 11 2HB TRP 11 14.010 -0.267 4.371 72 HD1 TRP 11 HD1 TRP 11 10.787 -1.450 4.755 73 HE1 TRP 11 HE1 TRP 11 10.307 -3.669 3.557 74 HE3 TRP 11 HE3 TRP 11 14.698 -1.466 1.450 75 HZ2 TRP 11 HZ2 TRP 11 11.421 -5.227 1.498 76 HZ3 TRP 11 HZ3 TRP 11 14.912 -3.367 -0.099 77 HH2 TRP 11 HH2 TRP 11 13.304 -5.206 -0.072 78 H GLN 12 H GLN 12 13.900 1.724 6.309 79 HA GLN 12 HA GLN 12 13.734 -0.127 8.379 80 1HB GLN 12 1HB GLN 12 14.531 2.775 8.333 81 2HB GLN 12 2HB GLN 12 14.612 1.814 9.795 82 1HG GLN 12 1HG GLN 12 16.062 1.216 7.230 83 2HG GLN 12 2HG GLN 12 16.772 1.947 8.668 84 1HE2 GLN 12 1HE2 GLN 12 15.302 0.265 10.512 85 2HE2 GLN 12 2HE2 GLN 12 16.006 -1.314 10.421 86 H ARG 13 H ARG 13 11.963 2.907 7.922 87 HA ARG 13 HA ARG 13 10.493 2.807 10.323 88 1HB ARG 13 1HB ARG 13 9.791 4.081 7.674 89 2HB ARG 13 2HB ARG 13 8.935 4.372 9.178 90 1HG ARG 13 1HG ARG 13 10.918 5.357 10.150 91 2HG ARG 13 2HG ARG 13 11.842 4.984 8.698 92 1HD ARG 13 1HD ARG 13 10.183 6.413 7.434 93 2HD ARG 13 2HD ARG 13 9.571 6.935 9.003 94 HE ARG 13 HE ARG 13 12.357 7.291 8.954 95 1HH1 ARG 13 1HH1 ARG 13 9.438 8.661 7.584 96 2HH1 ARG 13 2HH1 ARG 13 10.150 10.211 7.288 97 1HH2 ARG 13 1HH2 ARG 13 13.301 9.343 8.559 98 2HH2 ARG 13 2HH2 ARG 13 12.349 10.595 7.808 99 H MET 14 H MET 14 9.606 1.865 7.041 100 HA MET 14 HA MET 14 7.048 0.888 7.629 101 1HB MET 14 1HB MET 14 8.946 0.096 5.414 102 2HB MET 14 2HB MET 14 7.225 -0.255 5.441 103 1HG MET 14 1HG MET 14 6.662 2.041 5.265 104 2HG MET 14 2HG MET 14 8.329 2.536 5.556 105 1HE MET 14 1HE MET 14 6.834 0.512 1.684 106 2HE MET 14 2HE MET 14 5.786 0.978 3.024 107 3HE MET 14 3HE MET 14 6.937 -0.343 3.223 108 H LEU 15 H LEU 15 10.204 -0.675 7.721 109 HA LEU 15 HA LEU 15 9.244 -3.342 7.938 110 1HB LEU 15 1HB LEU 15 11.632 -2.209 7.413 111 2HB LEU 15 2HB LEU 15 11.863 -2.602 9.105 112 HG LEU 15 HG LEU 15 12.736 -4.296 7.512 113 1HD1 LEU 15 1HD1 LEU 15 12.233 -4.920 9.802 114 2HD1 LEU 15 2HD1 LEU 15 11.851 -6.243 8.698 115 3HD1 LEU 15 3HD1 LEU 15 10.556 -5.244 9.360 116 1HD2 LEU 15 1HD2 LEU 15 11.146 -5.802 6.415 117 2HD2 LEU 15 2HD2 LEU 15 11.033 -4.153 5.799 118 3HD2 LEU 15 3HD2 LEU 15 9.818 -4.759 6.927 119 H ALA 16 H ALA 16 9.873 -0.767 10.195 120 HA ALA 16 HA ALA 16 10.134 -2.209 12.570 121 1HB ALA 16 1HB ALA 16 10.649 0.170 12.372 122 2HB ALA 16 2HB ALA 16 9.533 -0.140 13.704 123 3HB ALA 16 3HB ALA 16 8.933 0.527 12.187 124 H ARG 17 H ARG 17 7.292 -1.487 10.682 125 HA ARG 17 HA ARG 17 5.408 -1.977 12.784 126 1HB ARG 17 1HB ARG 17 5.080 -1.920 9.785 127 2HB ARG 17 2HB ARG 17 3.747 -2.078 10.920 128 1HG ARG 17 1HG ARG 17 5.645 0.253 10.776 129 2HG ARG 17 2HG ARG 17 4.014 0.212 10.105 130 1HD ARG 17 1HD ARG 17 3.962 -0.612 12.850 131 2HD ARG 17 2HD ARG 17 4.802 0.930 12.710 132 HE ARG 17 HE ARG 17 2.453 1.084 11.212 133 1HH1 ARG 17 1HH1 ARG 17 3.401 0.695 14.561 134 2HH1 ARG 17 2HH1 ARG 17 2.030 1.571 15.179 135 1HH2 ARG 17 1HH2 ARG 17 0.608 2.197 12.051 136 2HH2 ARG 17 2HH2 ARG 17 0.463 2.411 13.770 137 H GLY 18 H GLY 18 7.407 -4.001 11.006 138 1HA GLY 18 1HA GLY 18 7.623 -6.295 11.165 139 2HA GLY 18 2HA GLY 18 6.153 -6.334 12.130 140 H TRP 19 H TRP 19 6.613 -5.049 8.866 141 HA TRP 19 HA TRP 19 4.448 -6.750 7.935 142 1HB TRP 19 1HB TRP 19 5.924 -4.459 6.627 143 2HB TRP 19 2HB TRP 19 4.674 -5.400 5.820 144 HD1 TRP 19 HD1 TRP 19 2.766 -5.545 8.498 145 HE1 TRP 19 HE1 TRP 19 1.388 -3.452 9.076 146 HE3 TRP 19 HE3 TRP 19 5.460 -2.061 5.899 147 HZ2 TRP 19 HZ2 TRP 19 1.433 -0.684 8.497 148 HZ3 TRP 19 HZ3 TRP 19 4.724 0.284 5.961 149 HH2 TRP 19 HH2 TRP 19 2.753 0.957 7.232 150 H THR 20 H THR 20 4.930 -7.333 5.417 151 HA THR 20 HA THR 20 7.386 -8.958 5.523 152 HB THR 20 HB THR 20 4.792 -9.683 4.142 153 HG1 THR 20 HG1 THR 20 5.372 -9.741 6.721 154 1HG2 THR 20 1HG2 THR 20 6.773 -10.719 3.144 155 2HG2 THR 20 2HG2 THR 20 5.799 -11.920 3.988 156 3HG2 THR 20 3HG2 THR 20 7.275 -11.304 4.729 157 HA PRO 21 HA PRO 21 8.285 -6.774 1.671 158 1HB PRO 21 1HB PRO 21 10.829 -8.163 1.723 159 2HB PRO 21 2HB PRO 21 10.508 -6.443 1.950 160 1HG PRO 21 1HG PRO 21 11.384 -8.087 3.945 161 2HG PRO 21 2HG PRO 21 10.420 -6.627 4.227 162 1HD PRO 21 1HD PRO 21 9.552 -9.489 4.174 163 2HD PRO 21 2HD PRO 21 9.048 -8.178 5.261 164 H VAL 22 H VAL 22 7.544 -7.533 -0.201 165 HA VAL 22 HA VAL 22 7.933 -10.393 -0.804 166 HB VAL 22 HB VAL 22 5.585 -9.850 -0.279 167 1HG1 VAL 22 1HG1 VAL 22 5.584 -7.524 -1.039 168 2HG1 VAL 22 2HG1 VAL 22 4.262 -8.447 -1.747 169 3HG1 VAL 22 3HG1 VAL 22 5.692 -8.074 -2.710 170 1HG2 VAL 22 1HG2 VAL 22 6.069 -11.682 -1.803 171 2HG2 VAL 22 2HG2 VAL 22 6.053 -10.567 -3.170 172 3HG2 VAL 22 3HG2 VAL 22 4.571 -10.868 -2.260 173 H SER 23 H SER 23 8.449 -10.962 -2.910 174 HA SER 23 HA SER 23 9.662 -8.797 -4.424 175 1HB SER 23 1HB SER 23 10.692 -10.825 -5.666 176 2HB SER 23 2HB SER 23 11.231 -10.474 -4.022 177 HG SER 23 HG SER 23 10.260 -12.733 -4.900 178 H GLU 24 H GLU 24 9.635 -8.964 -6.809 179 HA GLU 24 HA GLU 24 6.969 -8.898 -7.707 180 1HB GLU 24 1HB GLU 24 8.606 -8.888 -9.974 181 2HB GLU 24 2HB GLU 24 7.915 -7.496 -9.157 182 1HG GLU 24 1HG GLU 24 10.227 -7.083 -9.409 183 2HG GLU 24 2HG GLU 24 9.953 -7.446 -7.710 184 H SER 25 H SER 25 5.957 -10.138 -9.105 185 HA SER 25 HA SER 25 5.272 -11.977 -10.252 186 1HB SER 25 1HB SER 25 8.153 -12.891 -10.072 187 2HB SER 25 2HB SER 25 6.904 -13.607 -11.096 188 HG SER 25 HG SER 25 8.434 -11.403 -11.528 189 H ARG 26 H ARG 26 6.668 -12.040 -7.201 190 HA ARG 26 HA ARG 26 5.545 -14.679 -6.589 191 1HB ARG 26 1HB ARG 26 7.782 -13.179 -5.596 192 2HB ARG 26 2HB ARG 26 6.657 -13.453 -4.278 193 1HG ARG 26 1HG ARG 26 7.785 -15.611 -6.045 194 2HG ARG 26 2HG ARG 26 8.409 -15.178 -4.454 195 1HD ARG 26 1HD ARG 26 6.063 -15.649 -3.582 196 2HD ARG 26 2HD ARG 26 5.750 -16.395 -5.150 197 HE ARG 26 HE ARG 26 8.127 -17.456 -4.073 198 1HH1 ARG 26 1HH1 ARG 26 4.642 -17.612 -3.599 199 2HH1 ARG 26 2HH1 ARG 26 4.701 -19.163 -2.818 200 1HH2 ARG 26 1HH2 ARG 26 8.189 -19.461 -3.035 201 2HH2 ARG 26 2HH2 ARG 26 6.722 -20.219 -2.501 202 H LEU 27 H LEU 27 5.136 -11.315 -6.277 203 HA LEU 27 HA LEU 27 3.489 -10.925 -4.143 204 1HB LEU 27 1HB LEU 27 4.361 -9.194 -5.694 205 2HB LEU 27 2HB LEU 27 3.187 -9.698 -6.890 206 HG LEU 27 HG LEU 27 2.702 -7.577 -5.543 207 1HD1 LEU 27 1HD1 LEU 27 0.306 -8.015 -5.462 208 2HD1 LEU 27 2HD1 LEU 27 0.611 -9.744 -5.632 209 3HD1 LEU 27 3HD1 LEU 27 1.026 -8.642 -6.944 210 1HD2 LEU 27 1HD2 LEU 27 2.029 -9.637 -3.456 211 2HD2 LEU 27 2HD2 LEU 27 1.581 -7.934 -3.394 212 3HD2 LEU 27 3HD2 LEU 27 3.279 -8.398 -3.354 213 H ASP 28 H ASP 28 2.517 -12.113 -7.362 214 HA ASP 28 HA ASP 28 -0.278 -12.027 -6.734 215 1HB ASP 28 1HB ASP 28 0.515 -11.860 -9.059 216 2HB ASP 28 2HB ASP 28 1.134 -13.507 -8.967 217 H ASP 29 H ASP 29 2.057 -14.660 -7.082 218 HA ASP 29 HA ASP 29 0.449 -16.830 -6.445 219 1HB ASP 29 1HB ASP 29 2.931 -16.697 -7.192 220 2HB ASP 29 2HB ASP 29 3.289 -16.588 -5.481 221 H TRP 30 H TRP 30 2.430 -14.819 -4.364 222 HA TRP 30 HA TRP 30 1.792 -15.956 -1.889 223 1HB TRP 30 1HB TRP 30 3.623 -14.265 -2.455 224 2HB TRP 30 2HB TRP 30 2.378 -13.028 -2.324 225 HD1 TRP 30 HD1 TRP 30 1.124 -12.943 0.190 226 HE1 TRP 30 HE1 TRP 30 2.219 -13.204 2.503 227 HE3 TRP 30 HE3 TRP 30 5.423 -15.324 -1.213 228 HZ2 TRP 30 HZ2 TRP 30 4.596 -14.274 3.591 229 HZ3 TRP 30 HZ3 TRP 30 7.058 -15.929 0.522 230 HH2 TRP 30 HH2 TRP 30 6.650 -15.415 2.873 231 H LEU 31 H LEU 31 0.182 -13.391 -3.723 232 HA LEU 31 HA LEU 31 -1.579 -12.630 -1.622 233 1HB LEU 31 1HB LEU 31 -0.919 -11.133 -3.456 234 2HB LEU 31 2HB LEU 31 -1.793 -12.144 -4.590 235 HG LEU 31 HG LEU 31 -3.903 -11.601 -3.413 236 1HD1 LEU 31 1HD1 LEU 31 -3.927 -9.752 -1.809 237 2HD1 LEU 31 2HD1 LEU 31 -2.164 -9.705 -1.839 238 3HD1 LEU 31 3HD1 LEU 31 -2.998 -11.125 -1.206 239 1HD2 LEU 31 1HD2 LEU 31 -3.199 -10.326 -5.378 240 2HD2 LEU 31 2HD2 LEU 31 -2.324 -9.204 -4.335 241 3HD2 LEU 31 3HD2 LEU 31 -4.080 -9.315 -4.234 242 H THR 32 H THR 32 -1.777 -15.043 -4.167 243 HA THR 32 HA THR 32 -4.620 -15.346 -3.822 244 HB THR 32 HB THR 32 -3.469 -15.812 -6.009 245 HG1 THR 32 HG1 THR 32 -5.557 -16.902 -4.965 246 1HG2 THR 32 1HG2 THR 32 -1.547 -17.072 -5.172 247 2HG2 THR 32 2HG2 THR 32 -2.468 -18.021 -6.338 248 3HG2 THR 32 3HG2 THR 32 -2.622 -18.353 -4.613 249 H GLN 33 H GLN 33 -1.741 -16.763 -2.435 250 HA GLN 33 HA GLN 33 -3.277 -18.877 -1.166 251 1HB GLN 33 1HB GLN 33 -0.367 -18.120 -0.911 252 2HB GLN 33 2HB GLN 33 -1.115 -19.517 -0.160 253 1HG GLN 33 1HG GLN 33 -1.777 -20.232 -2.510 254 2HG GLN 33 2HG GLN 33 -0.649 -19.002 -3.073 255 1HE2 GLN 33 1HE2 GLN 33 -1.006 -22.072 -1.521 256 2HE2 GLN 33 2HE2 GLN 33 0.667 -22.519 -1.565 257 H ALA 34 H ALA 34 -1.645 -15.865 -0.279 258 HA ALA 34 HA ALA 34 -2.779 -16.049 2.422 259 1HB ALA 34 1HB ALA 34 -0.886 -14.005 1.255 260 2HB ALA 34 2HB ALA 34 -0.421 -15.391 2.240 261 3HB ALA 34 3HB ALA 34 -1.400 -14.102 2.938 262 HA PRO 35 HA PRO 35 -6.171 -13.986 0.444 263 1HB PRO 35 1HB PRO 35 -7.444 -14.023 3.084 264 2HB PRO 35 2HB PRO 35 -7.931 -14.832 1.593 265 1HG PRO 35 1HG PRO 35 -6.944 -16.186 3.703 266 2HG PRO 35 2HG PRO 35 -6.647 -16.693 2.030 267 1HD PRO 35 1HD PRO 35 -4.845 -15.218 3.913 268 2HD PRO 35 2HD PRO 35 -4.460 -16.527 2.773 269 H ASP 36 H ASP 36 -6.088 -11.935 -0.025 270 HA ASP 36 HA ASP 36 -6.543 -9.759 0.035 271 1HB ASP 36 1HB ASP 36 -7.584 -10.392 2.796 272 2HB ASP 36 2HB ASP 36 -7.836 -8.883 1.937 273 H GLY 37 H GLY 37 -5.837 -7.700 0.791 274 1HA GLY 37 1HA GLY 37 -4.347 -6.926 2.859 275 2HA GLY 37 2HA GLY 37 -3.182 -7.877 1.950 276 H VAL 38 H VAL 38 -2.148 -5.642 2.051 277 HA VAL 38 HA VAL 38 -2.905 -4.157 -0.368 278 HB VAL 38 HB VAL 38 -2.346 -2.015 0.755 279 1HG1 VAL 38 1HG1 VAL 38 -4.672 -2.657 0.519 280 2HG1 VAL 38 2HG1 VAL 38 -4.425 -1.808 2.047 281 3HG1 VAL 38 3HG1 VAL 38 -4.597 -3.565 2.029 282 1HG2 VAL 38 1HG2 VAL 38 -2.278 -1.922 3.206 283 2HG2 VAL 38 2HG2 VAL 38 -0.942 -2.863 2.544 284 3HG2 VAL 38 3HG2 VAL 38 -2.325 -3.684 3.267 285 H VAL 39 H VAL 39 -1.146 -2.925 -1.302 286 HA VAL 39 HA VAL 39 1.525 -3.817 -0.428 287 HB VAL 39 HB VAL 39 0.594 -3.649 -3.304 288 1HG1 VAL 39 1HG1 VAL 39 2.785 -4.616 -3.840 289 2HG1 VAL 39 2HG1 VAL 39 3.235 -4.530 -2.138 290 3HG1 VAL 39 3HG1 VAL 39 2.941 -3.048 -3.047 291 1HG2 VAL 39 1HG2 VAL 39 1.234 -6.062 -1.611 292 2HG2 VAL 39 2HG2 VAL 39 0.901 -6.088 -3.343 293 3HG2 VAL 39 3HG2 VAL 39 -0.358 -5.597 -2.208 294 H LEU 40 H LEU 40 2.981 -2.210 -0.278 295 HA LEU 40 HA LEU 40 2.145 0.454 -1.181 296 1HB LEU 40 1HB LEU 40 4.237 -0.425 0.807 297 2HB LEU 40 2HB LEU 40 4.062 1.235 0.275 298 HG LEU 40 HG LEU 40 1.649 1.081 1.133 299 1HD1 LEU 40 1HD1 LEU 40 1.240 -0.548 2.895 300 2HD1 LEU 40 2HD1 LEU 40 2.801 -1.303 2.570 301 3HD1 LEU 40 3HD1 LEU 40 1.533 -1.343 1.348 302 1HD2 LEU 40 1HD2 LEU 40 3.384 2.378 2.240 303 2HD2 LEU 40 2HD2 LEU 40 3.938 0.935 3.092 304 3HD2 LEU 40 3HD2 LEU 40 2.336 1.593 3.421 305 H LEU 41 H LEU 41 3.017 1.338 -2.923 306 HA LEU 41 HA LEU 41 5.436 0.091 -4.037 307 1HB LEU 41 1HB LEU 41 3.215 0.080 -5.317 308 2HB LEU 41 2HB LEU 41 3.438 1.805 -5.512 309 HG LEU 41 HG LEU 41 5.524 -0.142 -6.472 310 1HD1 LEU 41 1HD1 LEU 41 4.465 -0.074 -8.671 311 2HD1 LEU 41 2HD1 LEU 41 3.115 0.840 -7.998 312 3HD1 LEU 41 3HD1 LEU 41 3.405 -0.818 -7.474 313 1HD2 LEU 41 1HD2 LEU 41 6.163 2.213 -6.365 314 2HD2 LEU 41 2HD2 LEU 41 4.753 2.648 -7.333 315 3HD2 LEU 41 3HD2 LEU 41 6.040 1.668 -8.038 316 H SER 42 H SER 42 7.040 1.262 -3.100 317 HA SER 42 HA SER 42 8.533 2.941 -2.816 318 1HB SER 42 1HB SER 42 7.042 4.226 -5.114 319 2HB SER 42 2HB SER 42 8.641 4.692 -4.533 320 HG SER 42 HG SER 42 8.159 2.025 -5.264 321 H SER 43 H SER 43 8.433 5.683 -2.876 322 HA SER 43 HA SER 43 6.235 6.331 -1.046 323 1HB SER 43 1HB SER 43 7.918 7.625 0.315 324 2HB SER 43 2HB SER 43 8.106 5.873 0.365 325 HG SER 43 HG SER 43 9.616 7.747 -1.129 326 H ASP 44 H ASP 44 5.398 7.302 -3.054 327 HA ASP 44 HA ASP 44 5.504 10.088 -2.793 328 1HB ASP 44 1HB ASP 44 7.642 9.841 -4.079 329 2HB ASP 44 2HB ASP 44 6.720 9.125 -5.397 330 HA PRO 45 HA PRO 45 1.821 8.148 -4.657 331 1HB PRO 45 1HB PRO 45 0.216 9.498 -2.698 332 2HB PRO 45 2HB PRO 45 0.592 7.778 -2.813 333 1HG PRO 45 1HG PRO 45 1.489 9.435 -0.805 334 2HG PRO 45 2HG PRO 45 2.282 7.926 -1.287 335 1HD PRO 45 1HD PRO 45 2.969 10.746 -2.011 336 2HD PRO 45 2HD PRO 45 4.047 9.389 -1.619 337 H LYS 46 H LYS 46 2.230 11.553 -3.772 338 HA LYS 46 HA LYS 46 0.647 12.232 -6.139 339 1HB LYS 46 1HB LYS 46 -0.646 12.449 -3.939 340 2HB LYS 46 2HB LYS 46 0.401 13.811 -3.597 341 1HG LYS 46 1HG LYS 46 -0.367 14.926 -5.632 342 2HG LYS 46 2HG LYS 46 -1.428 13.558 -5.974 343 1HD LYS 46 1HD LYS 46 -2.623 13.975 -3.869 344 2HD LYS 46 2HD LYS 46 -1.575 15.362 -3.557 345 1HE LYS 46 1HE LYS 46 -2.381 16.413 -5.626 346 2HE LYS 46 2HE LYS 46 -3.448 15.036 -5.903 347 1HZ LYS 46 1HZ LYS 46 -4.640 16.874 -4.903 348 2HZ LYS 46 2HZ LYS 46 -3.577 16.895 -3.583 349 3HZ LYS 46 3HZ LYS 46 -4.594 15.559 -3.834 350 H ARG 47 H ARG 47 2.060 14.320 -3.662 351 HA ARG 47 HA ARG 47 4.257 14.974 -5.490 352 1HB ARG 47 1HB ARG 47 2.534 16.944 -3.979 353 2HB ARG 47 2HB ARG 47 4.141 17.350 -4.561 354 1HG ARG 47 1HG ARG 47 2.830 18.158 -6.254 355 2HG ARG 47 2HG ARG 47 3.205 16.543 -6.858 356 1HD ARG 47 1HD ARG 47 1.033 15.810 -5.745 357 2HD ARG 47 2HD ARG 47 0.663 17.528 -5.593 358 HE ARG 47 HE ARG 47 1.261 16.347 -8.221 359 1HH1 ARG 47 1HH1 ARG 47 -0.898 18.112 -6.096 360 2HH1 ARG 47 2HH1 ARG 47 -2.065 18.434 -7.348 361 1HH2 ARG 47 1HH2 ARG 47 -0.224 16.793 -9.859 362 2HH2 ARG 47 2HH2 ARG 47 -1.667 17.701 -9.502 363 H THR 48 H THR 48 2.972 14.913 -2.232 364 HA THR 48 HA THR 48 3.875 14.079 -0.333 365 HB THR 48 HB THR 48 6.478 13.688 -1.808 366 HG1 THR 48 HG1 THR 48 5.470 12.191 -2.903 367 1HG2 THR 48 1HG2 THR 48 6.812 11.902 -0.152 368 2HG2 THR 48 2HG2 THR 48 5.270 12.317 0.599 369 3HG2 THR 48 3HG2 THR 48 6.603 13.472 0.628 370 HA PRO 49 HA PRO 49 5.632 18.092 0.774 371 1HB PRO 49 1HB PRO 49 4.406 17.596 3.367 372 2HB PRO 49 2HB PRO 49 4.024 18.846 2.183 373 1HG PRO 49 1HG PRO 49 2.343 16.790 2.752 374 2HG PRO 49 2HG PRO 49 2.411 17.575 1.163 375 1HD PRO 49 1HD PRO 49 3.640 14.989 2.051 376 2HD PRO 49 2HD PRO 49 2.809 15.379 0.528 377 H GLU 50 H GLU 50 6.044 14.956 2.044 378 HA GLU 50 HA GLU 50 8.448 15.817 3.499 379 1HB GLU 50 1HB GLU 50 6.328 14.893 4.802 380 2HB GLU 50 2HB GLU 50 6.941 13.337 4.271 381 1HG GLU 50 1HG GLU 50 8.685 15.276 5.747 382 2HG GLU 50 2HG GLU 50 7.588 14.191 6.598 383 H VAL 51 H VAL 51 8.310 12.575 3.690 384 HA VAL 51 HA VAL 51 9.166 11.969 0.952 385 HB VAL 51 HB VAL 51 10.721 11.000 3.361 386 1HG1 VAL 51 1HG1 VAL 51 10.776 9.463 1.509 387 2HG1 VAL 51 2HG1 VAL 51 12.348 10.249 1.658 388 3HG1 VAL 51 3HG1 VAL 51 11.222 10.755 0.398 389 1HG2 VAL 51 1HG2 VAL 51 11.113 13.396 3.072 390 2HG2 VAL 51 2HG2 VAL 51 11.530 13.130 1.380 391 3HG2 VAL 51 3HG2 VAL 51 12.549 12.461 2.655 392 H SER 52 H SER 52 8.757 10.625 4.197 393 HA SER 52 HA SER 52 7.497 8.247 3.077 394 1HB SER 52 1HB SER 52 9.172 7.996 4.888 395 2HB SER 52 2HB SER 52 8.139 8.950 5.951 396 HG SER 52 HG SER 52 6.619 7.043 5.000 397 H ASP 53 H ASP 53 6.757 11.249 4.383 398 HA ASP 53 HA ASP 53 4.919 12.379 4.980 399 1HB ASP 53 1HB ASP 53 4.225 11.568 2.708 400 2HB ASP 53 2HB ASP 53 3.373 10.255 3.510 401 H ASN 54 H ASN 54 3.064 9.394 4.998 402 HA ASN 54 HA ASN 54 3.406 8.937 7.812 403 1HB ASN 54 1HB ASN 54 1.824 10.895 7.747 404 2HB ASN 54 2HB ASN 54 0.683 9.874 6.880 405 1HD2 ASN 54 1HD2 ASN 54 0.276 11.170 9.372 406 2HD2 ASN 54 2HD2 ASN 54 -0.025 9.945 10.553 407 HA PRO 55 HA PRO 55 1.718 5.143 5.985 408 1HB PRO 55 1HB PRO 55 3.876 3.598 6.172 409 2HB PRO 55 2HB PRO 55 3.782 4.835 4.914 410 1HG PRO 55 1HG PRO 55 5.386 4.802 7.408 411 2HG PRO 55 2HG PRO 55 5.716 5.615 5.869 412 1HD PRO 55 1HD PRO 55 4.536 6.727 8.252 413 2HD PRO 55 2HD PRO 55 4.869 7.547 6.714 414 H VAL 56 H VAL 56 1.339 6.147 8.655 415 HA VAL 56 HA VAL 56 2.060 3.877 10.372 416 HB VAL 56 HB VAL 56 1.118 6.647 11.137 417 1HG1 VAL 56 1HG1 VAL 56 1.756 6.014 13.417 418 2HG1 VAL 56 2HG1 VAL 56 2.107 4.381 12.857 419 3HG1 VAL 56 3HG1 VAL 56 0.457 4.998 12.791 420 1HG2 VAL 56 1HG2 VAL 56 3.430 6.968 11.914 421 2HG2 VAL 56 2HG2 VAL 56 3.347 6.686 10.177 422 3HG2 VAL 56 3HG2 VAL 56 3.859 5.390 11.256 423 H MET 57 H MET 57 -0.661 6.113 9.897 424 HA MET 57 HA MET 57 -2.488 4.658 11.452 425 1HB MET 57 1HB MET 57 -4.176 6.135 10.635 426 2HB MET 57 2HB MET 57 -2.706 7.068 10.856 427 1HG MET 57 1HG MET 57 -3.764 6.039 8.231 428 2HG MET 57 2HG MET 57 -3.890 7.690 8.825 429 1HE MET 57 1HE MET 57 -2.790 8.771 6.704 430 2HE MET 57 2HE MET 57 -2.775 7.165 5.973 431 3HE MET 57 3HE MET 57 -1.317 8.158 5.945 432 H ILE 58 H ILE 58 -1.469 4.254 8.193 433 HA ILE 58 HA ILE 58 -3.624 3.039 6.968 434 HB ILE 58 HB ILE 58 -0.711 2.280 6.678 435 1HG1 ILE 58 1HG1 ILE 58 -1.140 4.679 6.299 436 2HG1 ILE 58 2HG1 ILE 58 -0.672 3.859 4.814 437 1HG2 ILE 58 1HG2 ILE 58 -1.351 1.492 4.438 438 2HG2 ILE 58 2HG2 ILE 58 -3.041 1.818 4.818 439 3HG2 ILE 58 3HG2 ILE 58 -2.155 0.586 5.720 440 1HD1 ILE 58 1HD1 ILE 58 -3.029 3.778 4.142 441 2HD1 ILE 58 2HD1 ILE 58 -2.456 5.427 4.393 442 3HD1 ILE 58 3HD1 ILE 58 -3.463 4.648 5.613 443 H GLY 59 H GLY 59 -1.158 1.541 9.058 444 1HA GLY 59 1HA GLY 59 -2.103 -1.117 8.661 445 2HA GLY 59 2HA GLY 59 -1.019 -0.592 9.939 446 H GLU 60 H GLU 60 -2.816 1.362 11.026 447 HA GLU 60 HA GLU 60 -4.321 -0.410 12.709 448 1HB GLU 60 1HB GLU 60 -4.063 2.599 12.764 449 2HB GLU 60 2HB GLU 60 -4.751 1.598 14.038 450 1HG GLU 60 1HG GLU 60 -2.568 0.445 14.237 451 2HG GLU 60 2HG GLU 60 -1.904 1.586 13.072 452 H LEU 61 H LEU 61 -4.969 1.793 10.105 453 HA LEU 61 HA LEU 61 -7.748 2.073 10.388 454 1HB LEU 61 1HB LEU 61 -6.480 3.437 8.854 455 2HB LEU 61 2HB LEU 61 -5.996 2.027 7.934 456 HG LEU 61 HG LEU 61 -8.277 1.708 7.153 457 1HD1 LEU 61 1HD1 LEU 61 -8.935 4.160 8.784 458 2HD1 LEU 61 2HD1 LEU 61 -9.484 2.517 9.108 459 3HD1 LEU 61 3HD1 LEU 61 -10.021 3.354 7.653 460 1HD2 LEU 61 1HD2 LEU 61 -7.321 4.549 6.842 461 2HD2 LEU 61 2HD2 LEU 61 -8.456 3.715 5.779 462 3HD2 LEU 61 3HD2 LEU 61 -6.784 3.163 5.893 463 H LEU 62 H LEU 62 -5.829 -0.344 8.642 464 HA LEU 62 HA LEU 62 -7.900 -1.863 7.578 465 1HB LEU 62 1HB LEU 62 -5.076 -2.415 8.325 466 2HB LEU 62 2HB LEU 62 -6.109 -3.789 7.991 467 HG LEU 62 HG LEU 62 -6.526 -2.999 5.736 468 1HD1 LEU 62 1HD1 LEU 62 -4.797 -0.635 6.452 469 2HD1 LEU 62 2HD1 LEU 62 -6.535 -0.598 6.158 470 3HD1 LEU 62 3HD1 LEU 62 -5.429 -1.008 4.846 471 1HD2 LEU 62 1HD2 LEU 62 -4.292 -3.212 4.817 472 2HD2 LEU 62 2HD2 LEU 62 -4.509 -4.334 6.160 473 3HD2 LEU 62 3HD2 LEU 62 -3.586 -2.850 6.392 474 H ARG 63 H ARG 63 -6.774 -1.646 10.838 475 HA ARG 63 HA ARG 63 -7.628 -4.106 11.866 476 1HB ARG 63 1HB ARG 63 -7.335 -1.408 13.183 477 2HB ARG 63 2HB ARG 63 -7.735 -2.870 14.072 478 1HG ARG 63 1HG ARG 63 -5.240 -2.519 12.420 479 2HG ARG 63 2HG ARG 63 -5.335 -2.239 14.160 480 1HD ARG 63 1HD ARG 63 -6.143 -4.607 14.391 481 2HD ARG 63 2HD ARG 63 -5.765 -4.829 12.683 482 HE ARG 63 HE ARG 63 -3.495 -3.807 13.974 483 1HH1 ARG 63 1HH1 ARG 63 -5.443 -6.714 13.990 484 2HH1 ARG 63 2HH1 ARG 63 -4.111 -7.768 14.370 485 1HH2 ARG 63 1HH2 ARG 63 -1.738 -5.176 14.518 486 2HH2 ARG 63 2HH2 ARG 63 -2.002 -6.892 14.662 487 H GLU 64 H GLU 64 -9.562 -1.439 10.773 488 HA GLU 64 HA GLU 64 -11.739 -1.975 12.575 489 1HB GLU 64 1HB GLU 64 -13.022 -0.364 11.382 490 2HB GLU 64 2HB GLU 64 -11.392 0.267 11.535 491 1HG GLU 64 1HG GLU 64 -10.942 -0.007 9.278 492 2HG GLU 64 2HG GLU 64 -12.247 -1.175 9.062 493 H PHE 65 H PHE 65 -10.565 -3.538 9.855 494 HA PHE 65 HA PHE 65 -13.082 -5.063 9.713 495 1HB PHE 65 1HB PHE 65 -11.192 -4.362 7.468 496 2HB PHE 65 2HB PHE 65 -12.323 -5.704 7.355 497 HD1 PHE 65 HD1 PHE 65 -11.843 -2.275 6.750 498 HD2 PHE 65 HD2 PHE 65 -14.819 -5.109 7.851 499 HE1 PHE 65 HE1 PHE 65 -13.595 -0.723 5.992 500 HE2 PHE 65 HE2 PHE 65 -16.578 -3.560 7.093 501 HZ PHE 65 HZ PHE 65 -15.965 -1.364 6.164 502 HA PRO 66 HA PRO 66 -9.640 -7.904 10.886 503 1HB PRO 66 1HB PRO 66 -10.391 -8.510 13.388 504 2HB PRO 66 2HB PRO 66 -9.500 -7.028 13.025 505 1HG PRO 66 1HG PRO 66 -12.360 -7.399 13.694 506 2HG PRO 66 2HG PRO 66 -11.309 -6.005 13.982 507 1HD PRO 66 1HD PRO 66 -13.194 -6.341 11.883 508 2HD PRO 66 2HD PRO 66 -12.030 -5.019 12.077 509 H ASP 67 H ASP 67 -12.698 -8.091 10.024 510 HA ASP 67 HA ASP 67 -13.626 -10.591 10.962 511 1HB ASP 67 1HB ASP 67 -15.134 -8.920 10.008 512 2HB ASP 67 2HB ASP 67 -14.321 -9.051 8.451 513 H TYR 68 H TYR 68 -11.450 -9.628 8.519 514 HA TYR 68 HA TYR 68 -11.043 -12.428 7.743 515 1HB TYR 68 1HB TYR 68 -12.232 -10.661 6.054 516 2HB TYR 68 2HB TYR 68 -10.539 -10.390 5.652 517 HD1 TYR 68 HD1 TYR 68 -9.576 -11.730 4.016 518 HD2 TYR 68 HD2 TYR 68 -12.946 -13.197 6.155 519 HE1 TYR 68 HE1 TYR 68 -9.612 -13.722 2.578 520 HE2 TYR 68 HE2 TYR 68 -12.993 -15.194 4.721 521 HH TYR 68 HH TYR 68 -12.253 -15.949 2.586 522 H THR 69 H THR 69 -8.874 -11.734 5.944 523 HA THR 69 HA THR 69 -6.912 -10.844 7.934 524 HB THR 69 HB THR 69 -5.288 -12.122 6.387 525 HG1 THR 69 HG1 THR 69 -6.563 -12.597 4.642 526 1HG2 THR 69 1HG2 THR 69 -5.904 -12.860 8.645 527 2HG2 THR 69 2HG2 THR 69 -5.729 -14.227 7.544 528 3HG2 THR 69 3HG2 THR 69 -7.337 -13.655 7.991 529 H TRP 70 H TRP 70 -5.514 -9.250 7.433 530 HA TRP 70 HA TRP 70 -5.526 -8.212 4.682 531 1HB TRP 70 1HB TRP 70 -5.451 -6.717 7.294 532 2HB TRP 70 2HB TRP 70 -4.831 -5.997 5.816 533 HD1 TRP 70 HD1 TRP 70 -8.056 -6.812 7.620 534 HE1 TRP 70 HE1 TRP 70 -10.024 -5.775 6.329 535 HE3 TRP 70 HE3 TRP 70 -5.583 -5.412 3.374 536 HZ2 TRP 70 HZ2 TRP 70 -10.465 -4.513 3.823 537 HZ3 TRP 70 HZ3 TRP 70 -6.842 -4.298 1.583 538 HH2 TRP 70 HH2 TRP 70 -9.233 -3.862 1.803 539 H GLN 71 H GLN 71 -3.723 -9.280 3.971 540 HA GLN 71 HA GLN 71 -1.310 -9.247 5.570 541 1HB GLN 71 1HB GLN 71 -2.177 -10.560 3.053 542 2HB GLN 71 2HB GLN 71 -0.459 -10.248 3.229 543 1HG GLN 71 1HG GLN 71 -0.778 -12.427 4.010 544 2HG GLN 71 2HG GLN 71 -0.599 -11.439 5.451 545 1HE2 GLN 71 1HE2 GLN 71 -1.833 -14.070 5.082 546 2HE2 GLN 71 2HE2 GLN 71 -3.459 -13.913 5.646 547 H VAL 72 H VAL 72 -0.158 -7.447 5.660 548 HA VAL 72 HA VAL 72 -0.224 -5.552 3.459 549 HB VAL 72 HB VAL 72 1.245 -5.306 6.091 550 1HG1 VAL 72 1HG1 VAL 72 0.471 -3.214 4.057 551 2HG1 VAL 72 2HG1 VAL 72 2.093 -3.847 4.323 552 3HG1 VAL 72 3HG1 VAL 72 1.293 -2.921 5.591 553 1HG2 VAL 72 1HG2 VAL 72 -0.641 -3.923 6.830 554 2HG2 VAL 72 2HG2 VAL 72 -1.146 -5.575 6.479 555 3HG2 VAL 72 3HG2 VAL 72 -1.494 -4.285 5.330 556 H ALA 73 H ALA 73 1.151 -5.735 1.855 557 HA ALA 73 HA ALA 73 3.754 -7.019 2.359 558 1HB ALA 73 1HB ALA 73 2.295 -8.252 0.831 559 2HB ALA 73 2HB ALA 73 3.734 -7.655 0.004 560 3HB ALA 73 3HB ALA 73 2.189 -6.835 -0.214 561 H ILE 74 H ILE 74 5.596 -5.999 1.793 562 HA ILE 74 HA ILE 74 5.348 -3.377 0.471 563 HB ILE 74 HB ILE 74 7.336 -2.653 1.813 564 1HG1 ILE 74 1HG1 ILE 74 6.722 -5.190 3.338 565 2HG1 ILE 74 2HG1 ILE 74 8.206 -4.825 2.466 566 1HG2 ILE 74 1HG2 ILE 74 4.866 -3.393 3.375 567 2HG2 ILE 74 2HG2 ILE 74 5.081 -1.939 2.399 568 3HG2 ILE 74 3HG2 ILE 74 6.057 -2.182 3.850 569 1HD1 ILE 74 1HD1 ILE 74 8.496 -4.591 4.863 570 2HD1 ILE 74 2HD1 ILE 74 7.204 -3.392 4.914 571 3HD1 ILE 74 3HD1 ILE 74 8.701 -3.041 4.049 572 H ALA 75 H ALA 75 7.066 -2.806 -0.950 573 HA ALA 75 HA ALA 75 8.737 -5.095 -1.748 574 1HB ALA 75 1HB ALA 75 6.771 -4.939 -3.203 575 2HB ALA 75 2HB ALA 75 8.271 -4.640 -4.079 576 3HB ALA 75 3HB ALA 75 7.228 -3.290 -3.632 577 H ASP 76 H ASP 76 10.563 -4.560 -3.070 578 HA ASP 76 HA ASP 76 11.961 -2.203 -2.208 579 1HB ASP 76 1HB ASP 76 13.119 -4.338 -2.512 580 2HB ASP 76 2HB ASP 76 12.691 -4.359 -4.213 581 H LEU 77 H LEU 77 13.068 -0.795 -3.851 582 HA LEU 77 HA LEU 77 11.172 0.547 -5.431 583 1HB LEU 77 1HB LEU 77 14.188 0.637 -5.564 584 2HB LEU 77 2HB LEU 77 13.120 1.766 -6.374 585 HG LEU 77 HG LEU 77 13.351 1.411 -3.390 586 1HD1 LEU 77 1HD1 LEU 77 14.371 3.630 -3.438 587 2HD1 LEU 77 2HD1 LEU 77 14.293 3.624 -5.201 588 3HD1 LEU 77 3HD1 LEU 77 15.317 2.460 -4.358 589 1HD2 LEU 77 1HD2 LEU 77 11.929 3.395 -3.259 590 2HD2 LEU 77 2HD2 LEU 77 11.097 2.062 -4.061 591 3HD2 LEU 77 3HD2 LEU 77 11.758 3.390 -5.013 592 H GLU 78 H GLU 78 13.735 -1.744 -6.299 593 HA GLU 78 HA GLU 78 13.312 -1.616 -9.111 594 1HB GLU 78 1HB GLU 78 14.499 -3.862 -7.474 595 2HB GLU 78 2HB GLU 78 14.712 -3.608 -9.201 596 1HG GLU 78 1HG GLU 78 15.955 -1.596 -8.804 597 2HG GLU 78 2HG GLU 78 15.635 -1.694 -7.073 598 H GLN 79 H GLN 79 12.034 -3.553 -6.517 599 HA GLN 79 HA GLN 79 10.710 -5.465 -8.162 600 1HB GLN 79 1HB GLN 79 10.399 -4.734 -5.246 601 2HB GLN 79 2HB GLN 79 9.577 -6.087 -6.011 602 1HG GLN 79 1HG GLN 79 11.614 -7.217 -6.423 603 2HG GLN 79 2HG GLN 79 12.567 -5.790 -6.019 604 1HE2 GLN 79 1HE2 GLN 79 13.748 -6.957 -4.486 605 2HE2 GLN 79 2HE2 GLN 79 13.073 -7.376 -2.940 606 H SER 80 H SER 80 9.861 -2.364 -6.808 607 HA SER 80 HA SER 80 7.071 -2.516 -6.936 608 1HB SER 80 1HB SER 80 8.901 -0.126 -7.239 609 2HB SER 80 2HB SER 80 7.158 -0.021 -6.992 610 HG SER 80 HG SER 80 8.997 -1.279 -5.215 611 H GLU 81 H GLU 81 9.433 -1.472 -9.344 612 HA GLU 81 HA GLU 81 7.602 -0.631 -11.297 613 1HB GLU 81 1HB GLU 81 10.483 -1.465 -11.356 614 2HB GLU 81 2HB GLU 81 9.627 -1.117 -12.851 615 1HG GLU 81 1HG GLU 81 9.804 0.811 -10.553 616 2HG GLU 81 2HG GLU 81 10.939 0.785 -11.902 617 H ALA 82 H ALA 82 9.086 -3.771 -10.675 618 HA ALA 82 HA ALA 82 8.058 -4.918 -13.100 619 1HB ALA 82 1HB ALA 82 10.144 -5.722 -12.154 620 2HB ALA 82 2HB ALA 82 8.959 -7.025 -12.251 621 3HB ALA 82 3HB ALA 82 9.295 -6.254 -10.702 622 H ILE 83 H ILE 83 7.077 -4.873 -9.715 623 HA ILE 83 HA ILE 83 5.049 -6.830 -9.905 624 HB ILE 83 HB ILE 83 5.375 -4.498 -8.014 625 1HG1 ILE 83 1HG1 ILE 83 5.663 -7.489 -7.625 626 2HG1 ILE 83 2HG1 ILE 83 7.002 -6.374 -7.879 627 1HG2 ILE 83 1HG2 ILE 83 2.987 -4.996 -8.227 628 2HG2 ILE 83 2HG2 ILE 83 3.598 -5.487 -6.649 629 3HG2 ILE 83 3HG2 ILE 83 3.306 -6.699 -7.896 630 1HD1 ILE 83 1HD1 ILE 83 6.452 -5.240 -5.800 631 2HD1 ILE 83 2HD1 ILE 83 6.753 -6.957 -5.540 632 3HD1 ILE 83 3HD1 ILE 83 5.100 -6.343 -5.552 633 H GLY 84 H GLY 84 4.906 -3.279 -10.184 634 1HA GLY 84 1HA GLY 84 2.145 -3.146 -10.762 635 2HA GLY 84 2HA GLY 84 3.327 -1.916 -11.181 636 H ASP 85 H ASP 85 4.969 -3.292 -12.899 637 HA ASP 85 HA ASP 85 3.747 -3.059 -15.369 638 1HB ASP 85 1HB ASP 85 6.145 -3.084 -15.199 639 2HB ASP 85 2HB ASP 85 6.137 -4.707 -14.528 640 H ARG 86 H ARG 86 4.423 -6.076 -13.606 641 HA ARG 86 HA ARG 86 3.148 -7.674 -15.550 642 1HB ARG 86 1HB ARG 86 4.404 -8.151 -12.895 643 2HB ARG 86 2HB ARG 86 3.410 -9.401 -13.611 644 1HG ARG 86 1HG ARG 86 4.822 -9.232 -15.670 645 2HG ARG 86 2HG ARG 86 5.884 -8.155 -14.767 646 1HD ARG 86 1HD ARG 86 6.396 -9.904 -13.190 647 2HD ARG 86 2HD ARG 86 5.207 -10.974 -13.937 648 HE ARG 86 HE ARG 86 7.278 -10.039 -15.726 649 1HH1 ARG 86 1HH1 ARG 86 6.351 -12.544 -13.450 650 2HH1 ARG 86 2HH1 ARG 86 7.400 -13.739 -14.144 651 1HH2 ARG 86 1HH2 ARG 86 8.649 -11.609 -16.641 652 2HH2 ARG 86 2HH2 ARG 86 8.719 -13.206 -15.951 653 H PHE 87 H PHE 87 1.968 -5.986 -12.760 654 HA PHE 87 HA PHE 87 -0.372 -7.705 -12.546 655 1HB PHE 87 1HB PHE 87 0.759 -6.536 -10.559 656 2HB PHE 87 2HB PHE 87 0.011 -5.057 -11.150 657 HD1 PHE 87 HD1 PHE 87 -0.394 -7.931 -9.124 658 HD2 PHE 87 HD2 PHE 87 -2.560 -5.100 -11.442 659 HE1 PHE 87 HE1 PHE 87 -2.447 -8.495 -7.890 660 HE2 PHE 87 HE2 PHE 87 -4.614 -5.655 -10.210 661 HZ PHE 87 HZ PHE 87 -4.564 -7.352 -8.429 662 H GLY 88 H GLY 88 0.281 -4.293 -13.310 663 1HA GLY 88 1HA GLY 88 -0.718 -3.306 -15.292 664 2HA GLY 88 2HA GLY 88 -2.136 -4.300 -15.000 665 H VAL 89 H VAL 89 -0.261 -2.269 -12.757 666 HA VAL 89 HA VAL 89 -2.711 -0.692 -12.311 667 HB VAL 89 HB VAL 89 -0.754 -1.542 -10.165 668 1HG1 VAL 89 1HG1 VAL 89 -1.729 0.660 -9.745 669 2HG1 VAL 89 2HG1 VAL 89 -2.356 -0.537 -8.611 670 3HG1 VAL 89 3HG1 VAL 89 -3.349 -0.005 -9.968 671 1HG2 VAL 89 1HG2 VAL 89 -3.603 -2.426 -10.650 672 2HG2 VAL 89 2HG2 VAL 89 -2.587 -2.897 -9.287 673 3HG2 VAL 89 3HG2 VAL 89 -2.160 -3.400 -10.922 674 H PHE 90 H PHE 90 -1.756 0.821 -13.821 675 HA PHE 90 HA PHE 90 -1.074 2.950 -14.130 676 1HB PHE 90 1HB PHE 90 -0.698 2.821 -11.149 677 2HB PHE 90 2HB PHE 90 -0.389 4.285 -12.079 678 HD1 PHE 90 HD1 PHE 90 -2.917 2.065 -10.717 679 HD2 PHE 90 HD2 PHE 90 -2.222 5.447 -13.202 680 HE1 PHE 90 HE1 PHE 90 -5.304 2.649 -10.581 681 HE2 PHE 90 HE2 PHE 90 -4.607 6.034 -13.080 682 HZ PHE 90 HZ PHE 90 -6.151 4.637 -11.766 683 H ARG 91 H ARG 91 1.226 1.561 -11.807 684 HA ARG 91 HA ARG 91 3.509 1.300 -11.902 685 1HB ARG 91 1HB ARG 91 4.902 1.917 -13.627 686 2HB ARG 91 2HB ARG 91 3.382 1.766 -14.492 687 1HG ARG 91 1HG ARG 91 3.110 4.090 -14.656 688 2HG ARG 91 2HG ARG 91 4.316 4.407 -13.409 689 1HD ARG 91 1HD ARG 91 4.952 3.142 -16.065 690 2HD ARG 91 2HD ARG 91 5.052 4.876 -15.761 691 HE ARG 91 HE ARG 91 6.612 2.967 -14.146 692 1HH1 ARG 91 1HH1 ARG 91 6.455 5.699 -16.323 693 2HH1 ARG 91 2HH1 ARG 91 8.113 6.149 -16.100 694 1HH2 ARG 91 1HH2 ARG 91 8.826 3.525 -13.860 695 2HH2 ARG 91 2HH2 ARG 91 9.465 4.920 -14.695 696 H PHE 92 H PHE 92 1.567 3.791 -11.259 697 HA PHE 92 HA PHE 92 3.571 5.722 -10.461 698 1HB PHE 92 1HB PHE 92 0.563 5.663 -10.187 699 2HB PHE 92 2HB PHE 92 1.560 6.952 -9.524 700 HD1 PHE 92 HD1 PHE 92 0.394 5.349 -12.619 701 HD2 PHE 92 HD2 PHE 92 2.489 8.640 -10.919 702 HE1 PHE 92 HE1 PHE 92 0.314 6.513 -14.783 703 HE2 PHE 92 HE2 PHE 92 2.413 9.812 -13.082 704 HZ PHE 92 HZ PHE 92 1.326 8.747 -15.015 705 HA PRO 93 HA PRO 93 4.154 3.984 -6.424 706 1HB PRO 93 1HB PRO 93 5.066 6.661 -5.625 707 2HB PRO 93 2HB PRO 93 5.966 5.143 -5.691 708 1HG PRO 93 1HG PRO 93 6.407 7.139 -7.433 709 2HG PRO 93 2HG PRO 93 6.563 5.434 -7.893 710 1HD PRO 93 1HD PRO 93 4.326 7.349 -8.433 711 2HD PRO 93 2HD PRO 93 5.039 6.119 -9.497 712 H ALA 94 H ALA 94 2.885 3.784 -4.726 713 HA ALA 94 HA ALA 94 1.665 5.718 -3.183 714 1HB ALA 94 1HB ALA 94 -0.671 5.663 -3.903 715 2HB ALA 94 2HB ALA 94 -0.228 4.661 -5.285 716 3HB ALA 94 3HB ALA 94 0.366 6.317 -5.174 717 H THR 95 H THR 95 -0.638 4.568 -2.316 718 HA THR 95 HA THR 95 0.253 1.918 -1.438 719 HB THR 95 HB THR 95 -2.075 3.545 -0.401 720 HG1 THR 95 HG1 THR 95 0.641 3.740 0.038 721 1HG2 THR 95 1HG2 THR 95 -2.197 1.148 0.097 722 2HG2 THR 95 2HG2 THR 95 -1.891 2.085 1.559 723 3HG2 THR 95 3HG2 THR 95 -0.573 1.205 0.784 724 H LEU 96 H LEU 96 -0.471 0.233 -2.564 725 HA LEU 96 HA LEU 96 -2.910 0.511 -4.160 726 1HB LEU 96 1HB LEU 96 -0.877 -1.720 -4.160 727 2HB LEU 96 2HB LEU 96 -2.149 -1.465 -5.335 728 HG LEU 96 HG LEU 96 0.239 0.337 -4.913 729 1HD1 LEU 96 1HD1 LEU 96 0.961 -0.485 -7.094 730 2HD1 LEU 96 2HD1 LEU 96 -0.427 -1.571 -7.151 731 3HD1 LEU 96 3HD1 LEU 96 0.824 -1.802 -5.930 732 1HD2 LEU 96 1HD2 LEU 96 -1.757 1.564 -5.636 733 2HD2 LEU 96 2HD2 LEU 96 -1.949 0.449 -6.989 734 3HD2 LEU 96 3HD2 LEU 96 -0.535 1.501 -6.905 735 H VAL 97 H VAL 97 -4.763 -0.461 -3.588 736 HA VAL 97 HA VAL 97 -4.631 -2.395 -1.378 737 HB VAL 97 HB VAL 97 -5.856 -0.437 -0.708 738 1HG1 VAL 97 1HG1 VAL 97 -7.891 0.304 -1.844 739 2HG1 VAL 97 2HG1 VAL 97 -7.615 -0.890 -3.112 740 3HG1 VAL 97 3HG1 VAL 97 -6.474 0.434 -2.885 741 1HG2 VAL 97 1HG2 VAL 97 -7.769 -2.700 -1.283 742 2HG2 VAL 97 2HG2 VAL 97 -7.998 -1.429 -0.083 743 3HG2 VAL 97 3HG2 VAL 97 -6.683 -2.589 0.102 744 H PHE 98 H PHE 98 -5.156 -4.400 -1.742 745 HA PHE 98 HA PHE 98 -6.811 -5.053 -4.090 746 1HB PHE 98 1HB PHE 98 -4.521 -6.721 -3.019 747 2HB PHE 98 2HB PHE 98 -5.468 -7.035 -4.466 748 HD1 PHE 98 HD1 PHE 98 -5.312 -5.322 -6.365 749 HD2 PHE 98 HD2 PHE 98 -2.553 -5.513 -3.131 750 HE1 PHE 98 HE1 PHE 98 -3.661 -4.088 -7.705 751 HE2 PHE 98 HE2 PHE 98 -0.895 -4.280 -4.468 752 HZ PHE 98 HZ PHE 98 -1.452 -3.562 -6.758 753 H THR 99 H THR 99 -7.499 -7.508 -3.801 754 HA THR 99 HA THR 99 -7.968 -8.105 -0.957 755 HB THR 99 HB THR 99 -10.133 -8.977 -1.357 756 HG1 THR 99 HG1 THR 99 -10.227 -10.027 -3.204 757 1HG2 THR 99 1HG2 THR 99 -9.891 -6.450 -2.991 758 2HG2 THR 99 2HG2 THR 99 -10.150 -6.553 -1.249 759 3HG2 THR 99 3HG2 THR 99 -11.397 -7.119 -2.360 760 H GLY 100 H GLY 100 -8.885 -10.673 -1.158 761 1HA GLY 100 1HA GLY 100 -6.621 -12.158 -2.074 762 2HA GLY 100 2HA GLY 100 -8.138 -12.831 -1.496 763 H GLY 101 H GLY 101 -7.297 -10.763 -4.257 764 1HA GLY 101 1HA GLY 101 -7.325 -12.295 -6.398 765 2HA GLY 101 2HA GLY 101 -9.021 -12.406 -5.945 766 H ASN 102 H ASN 102 -9.306 -9.681 -5.014 767 HA ASN 102 HA ASN 102 -9.653 -8.585 -7.701 768 1HB ASN 102 1HB ASN 102 -10.853 -7.619 -5.111 769 2HB ASN 102 2HB ASN 102 -11.249 -7.024 -6.715 770 1HD2 ASN 102 1HD2 ASN 102 -11.680 -9.473 -4.397 771 2HD2 ASN 102 2HD2 ASN 102 -12.936 -10.353 -5.204 772 H TYR 103 H TYR 103 -9.601 -6.245 -7.892 773 HA TYR 103 HA TYR 103 -7.472 -4.944 -6.338 774 1HB TYR 103 1HB TYR 103 -6.624 -5.195 -8.548 775 2HB TYR 103 2HB TYR 103 -8.173 -4.788 -9.272 776 HD1 TYR 103 HD1 TYR 103 -8.479 -2.666 -10.128 777 HD2 TYR 103 HD2 TYR 103 -5.496 -3.252 -7.150 778 HE1 TYR 103 HE1 TYR 103 -7.751 -0.333 -10.405 779 HE2 TYR 103 HE2 TYR 103 -4.763 -0.920 -7.417 780 HH TYR 103 HH TYR 103 -6.573 1.392 -9.176 781 H ARG 104 H ARG 104 -8.022 -2.980 -5.428 782 HA ARG 104 HA ARG 104 -10.826 -2.200 -5.831 783 1HB ARG 104 1HB ARG 104 -8.993 -1.703 -3.487 784 2HB ARG 104 2HB ARG 104 -10.630 -1.079 -3.621 785 1HG ARG 104 1HG ARG 104 -9.927 -4.009 -3.640 786 2HG ARG 104 2HG ARG 104 -10.425 -3.108 -2.207 787 1HD ARG 104 1HD ARG 104 -12.337 -4.262 -3.071 788 2HD ARG 104 2HD ARG 104 -12.547 -2.540 -3.377 789 HE ARG 104 HE ARG 104 -11.373 -3.674 -5.646 790 1HH1 ARG 104 1HH1 ARG 104 -14.405 -3.795 -3.902 791 2HH1 ARG 104 2HH1 ARG 104 -15.345 -4.190 -5.310 792 1HH2 ARG 104 1HH2 ARG 104 -12.613 -4.172 -7.499 793 2HH2 ARG 104 2HH2 ARG 104 -14.325 -4.416 -7.346 794 H GLY 105 H GLY 105 -7.705 -0.623 -5.070 795 1HA GLY 105 1HA GLY 105 -7.856 1.223 -7.164 796 2HA GLY 105 2HA GLY 105 -8.601 1.958 -5.752 797 H VAL 106 H VAL 106 -6.906 3.529 -5.906 798 HA VAL 106 HA VAL 106 -4.416 2.606 -4.667 799 HB VAL 106 HB VAL 106 -3.940 2.900 -7.034 800 1HG1 VAL 106 1HG1 VAL 106 -4.963 5.716 -6.709 801 2HG1 VAL 106 2HG1 VAL 106 -5.746 4.424 -7.617 802 3HG1 VAL 106 3HG1 VAL 106 -4.187 5.060 -8.151 803 1HG2 VAL 106 1HG2 VAL 106 -2.825 5.162 -5.385 804 2HG2 VAL 106 2HG2 VAL 106 -2.142 4.556 -6.894 805 3HG2 VAL 106 3HG2 VAL 106 -2.193 3.518 -5.467 806 H LEU 107 H LEU 107 -3.727 3.851 -3.009 807 HA LEU 107 HA LEU 107 -5.308 6.246 -2.378 808 1HB LEU 107 1HB LEU 107 -3.560 4.481 -0.667 809 2HB LEU 107 2HB LEU 107 -4.280 5.969 -0.093 810 HG LEU 107 HG LEU 107 -5.838 3.578 -1.083 811 1HD1 LEU 107 1HD1 LEU 107 -6.412 3.232 1.271 812 2HD1 LEU 107 2HD1 LEU 107 -5.322 4.541 1.729 813 3HD1 LEU 107 3HD1 LEU 107 -4.677 3.071 0.998 814 1HD2 LEU 107 1HD2 LEU 107 -6.730 6.112 0.290 815 2HD2 LEU 107 2HD2 LEU 107 -7.763 4.747 -0.136 816 3HD2 LEU 107 3HD2 LEU 107 -6.998 5.703 -1.406 817 H ASN 108 H ASN 108 -4.438 8.216 -2.449 818 HA ASN 108 HA ASN 108 -1.625 8.443 -3.189 819 1HB ASN 108 1HB ASN 108 -3.815 10.533 -3.091 820 2HB ASN 108 2HB ASN 108 -2.168 10.826 -3.637 821 1HD2 ASN 108 1HD2 ASN 108 -1.473 9.899 -5.598 822 2HD2 ASN 108 2HD2 ASN 108 -2.614 9.380 -6.791 823 H GLY 109 H GLY 109 -2.961 8.031 -0.383 824 1HA GLY 109 1HA GLY 109 -2.312 8.497 1.770 825 2HA GLY 109 2HA GLY 109 -0.915 9.324 1.094 826 H ILE 110 H ILE 110 -1.022 11.000 2.582 827 HA ILE 110 HA ILE 110 -1.556 13.092 3.307 828 HB ILE 110 HB ILE 110 -3.425 13.391 0.944 829 1HG1 ILE 110 1HG1 ILE 110 -1.334 12.408 0.084 830 2HG1 ILE 110 2HG1 ILE 110 -1.523 14.076 -0.442 831 1HG2 ILE 110 1HG2 ILE 110 -1.632 15.342 2.392 832 2HG2 ILE 110 2HG2 ILE 110 -3.391 15.253 2.499 833 3HG2 ILE 110 3HG2 ILE 110 -2.620 15.721 0.983 834 1HD1 ILE 110 1HD1 ILE 110 0.766 13.626 0.182 835 2HD1 ILE 110 2HD1 ILE 110 0.251 13.113 1.789 836 3HD1 ILE 110 3HD1 ILE 110 0.048 14.795 1.291 837 H HIS 111 H HIS 111 -3.894 14.532 3.457 838 HA HIS 111 HA HIS 111 -6.030 14.692 4.223 839 1HB HIS 111 1HB HIS 111 -6.214 11.706 3.757 840 2HB HIS 111 2HB HIS 111 -7.566 12.778 4.106 841 HD1 HIS 111 HD1 HIS 111 -5.306 11.659 1.368 842 HD2 HIS 111 HD2 HIS 111 -8.362 14.422 1.945 843 HE1 HIS 111 HE1 HIS 111 -5.988 12.402 -0.931 844 HE2 HIS 111 HE2 HIS 111 -7.646 14.260 -0.541 845 HA PRO 112 HA PRO 112 -5.610 13.717 8.542 846 1HB PRO 112 1HB PRO 112 -8.502 14.081 8.821 847 2HB PRO 112 2HB PRO 112 -7.188 15.050 9.487 848 1HG PRO 112 1HG PRO 112 -8.790 15.957 7.514 849 2HG PRO 112 2HG PRO 112 -7.081 16.418 7.639 850 1HD PRO 112 1HD PRO 112 -8.371 14.388 5.852 851 2HD PRO 112 2HD PRO 112 -7.092 15.565 5.482 852 H TRP 113 H TRP 113 -6.515 12.240 10.192 853 HA TRP 113 HA TRP 113 -6.717 9.623 9.304 854 1HB TRP 113 1HB TRP 113 -6.051 10.047 11.551 855 2HB TRP 113 2HB TRP 113 -7.538 10.914 11.902 856 HD1 TRP 113 HD1 TRP 113 -8.949 9.551 13.517 857 HE1 TRP 113 HE1 TRP 113 -9.546 7.067 13.828 858 HE3 TRP 113 HE3 TRP 113 -6.138 7.569 9.732 859 HZ2 TRP 113 HZ2 TRP 113 -8.916 4.601 12.618 860 HZ3 TRP 113 HZ3 TRP 113 -6.198 5.137 9.375 861 HH2 TRP 113 HH2 TRP 113 -7.564 3.687 10.784 862 H ALA 114 H ALA 114 -9.337 11.850 10.189 863 HA ALA 114 HA ALA 114 -11.478 10.069 9.969 864 1HB ALA 114 1HB ALA 114 -11.667 12.303 10.952 865 2HB ALA 114 2HB ALA 114 -12.887 12.032 9.710 866 3HB ALA 114 3HB ALA 114 -11.472 13.020 9.352 867 H GLU 115 H GLU 115 -9.812 11.932 7.471 868 HA GLU 115 HA GLU 115 -11.670 11.121 5.425 869 1HB GLU 115 1HB GLU 115 -9.105 12.682 5.402 870 2HB GLU 115 2HB GLU 115 -9.878 12.168 3.910 871 1HG GLU 115 1HG GLU 115 -11.148 13.883 6.032 872 2HG GLU 115 2HG GLU 115 -10.460 14.464 4.517 873 H LEU 116 H LEU 116 -8.660 9.992 6.730 874 HA LEU 116 HA LEU 116 -7.890 8.323 4.586 875 1HB LEU 116 1HB LEU 116 -6.856 8.984 7.063 876 2HB LEU 116 2HB LEU 116 -7.257 7.286 7.247 877 HG LEU 116 HG LEU 116 -4.932 7.574 6.553 878 1HD1 LEU 116 1HD1 LEU 116 -6.657 6.408 4.375 879 2HD1 LEU 116 2HD1 LEU 116 -6.094 5.569 5.821 880 3HD1 LEU 116 3HD1 LEU 116 -4.936 6.098 4.602 881 1HD2 LEU 116 1HD2 LEU 116 -6.091 8.877 4.095 882 2HD2 LEU 116 2HD2 LEU 116 -4.392 8.474 4.348 883 3HD2 LEU 116 3HD2 LEU 116 -5.174 9.687 5.363 884 H ILE 117 H ILE 117 -9.861 7.745 7.482 885 HA ILE 117 HA ILE 117 -10.583 5.079 6.996 886 HB ILE 117 HB ILE 117 -12.347 7.241 8.182 887 1HG1 ILE 117 1HG1 ILE 117 -10.432 5.365 9.584 888 2HG1 ILE 117 2HG1 ILE 117 -10.135 7.077 9.295 889 1HG2 ILE 117 1HG2 ILE 117 -12.404 4.245 8.533 890 2HG2 ILE 117 2HG2 ILE 117 -13.551 5.196 7.587 891 3HG2 ILE 117 3HG2 ILE 117 -13.466 5.404 9.337 892 1HD1 ILE 117 1HD1 ILE 117 -10.873 6.690 11.568 893 2HD1 ILE 117 2HD1 ILE 117 -12.345 5.922 10.978 894 3HD1 ILE 117 3HD1 ILE 117 -12.066 7.637 10.681 895 H ASN 118 H ASN 118 -11.944 8.115 5.899 896 HA ASN 118 HA ASN 118 -14.221 7.304 4.554 897 1HB ASN 118 1HB ASN 118 -13.265 9.659 5.025 898 2HB ASN 118 2HB ASN 118 -12.389 9.464 3.525 899 1HD2 ASN 118 1HD2 ASN 118 -14.193 11.473 4.026 900 2HD2 ASN 118 2HD2 ASN 118 -15.551 11.288 2.963 901 H LEU 119 H LEU 119 -10.954 7.759 3.250 902 HA LEU 119 HA LEU 119 -11.509 6.950 0.618 903 1HB LEU 119 1HB LEU 119 -8.905 6.846 2.140 904 2HB LEU 119 2HB LEU 119 -9.065 6.711 0.402 905 HG LEU 119 HG LEU 119 -9.795 9.144 2.032 906 1HD1 LEU 119 1HD1 LEU 119 -7.849 10.173 0.980 907 2HD1 LEU 119 2HD1 LEU 119 -7.456 8.641 0.203 908 3HD1 LEU 119 3HD1 LEU 119 -7.391 8.779 1.958 909 1HD2 LEU 119 1HD2 LEU 119 -11.183 8.910 0.040 910 2HD2 LEU 119 2HD2 LEU 119 -9.739 8.720 -0.955 911 3HD2 LEU 119 3HD2 LEU 119 -10.047 10.248 -0.134 912 H MET 120 H MET 120 -10.202 5.114 3.367 913 HA MET 120 HA MET 120 -9.758 2.662 2.089 914 1HB MET 120 1HB MET 120 -9.067 3.277 4.419 915 2HB MET 120 2HB MET 120 -10.738 3.090 4.918 916 1HG MET 120 1HG MET 120 -9.738 1.100 5.552 917 2HG MET 120 2HG MET 120 -10.540 0.700 4.035 918 1HE MET 120 1HE MET 120 -9.254 0.608 1.698 919 2HE MET 120 2HE MET 120 -9.306 -0.956 2.516 920 3HE MET 120 3HE MET 120 -7.819 -0.417 1.735 921 H ARG 121 H ARG 121 -12.637 3.882 3.737 922 HA ARG 121 HA ARG 121 -14.223 1.588 3.308 923 1HB ARG 121 1HB ARG 121 -14.677 3.283 5.033 924 2HB ARG 121 2HB ARG 121 -15.084 4.442 3.779 925 1HG ARG 121 1HG ARG 121 -17.071 3.396 3.268 926 2HG ARG 121 2HG ARG 121 -16.544 1.843 3.928 927 1HD ARG 121 1HD ARG 121 -17.152 4.326 5.527 928 2HD ARG 121 2HD ARG 121 -18.209 2.922 5.365 929 HE ARG 121 HE ARG 121 -15.544 2.388 6.379 930 1HH1 ARG 121 1HH1 ARG 121 -18.887 3.067 7.141 931 2HH1 ARG 121 2HH1 ARG 121 -18.797 2.369 8.729 932 1HH2 ARG 121 1HH2 ARG 121 -15.400 1.456 8.445 933 2HH2 ARG 121 2HH2 ARG 121 -16.815 1.434 9.469 934 H GLY 122 H GLY 122 -13.763 4.556 1.480 935 1HA GLY 122 1HA GLY 122 -15.779 4.181 -0.435 936 2HA GLY 122 2HA GLY 122 -14.303 5.103 -0.682 937 H LEU 123 H LEU 123 -12.594 2.770 -0.159 938 HA LEU 123 HA LEU 123 -12.740 1.664 -2.838 939 1HB LEU 123 1HB LEU 123 -10.644 1.431 -0.684 940 2HB LEU 123 2HB LEU 123 -10.512 0.710 -2.278 941 HG LEU 123 HG LEU 123 -10.709 3.670 -1.705 942 1HD1 LEU 123 1HD1 LEU 123 -8.569 2.744 -1.026 943 2HD1 LEU 123 2HD1 LEU 123 -8.392 3.748 -2.465 944 3HD1 LEU 123 3HD1 LEU 123 -8.378 1.990 -2.608 945 1HD2 LEU 123 1HD2 LEU 123 -10.308 2.187 -4.303 946 2HD2 LEU 123 2HD2 LEU 123 -10.202 3.933 -4.094 947 3HD2 LEU 123 3HD2 LEU 123 -11.738 3.106 -3.833 948 H VAL 124 H VAL 124 -12.778 0.450 0.526 949 HA VAL 124 HA VAL 124 -13.013 -2.279 -0.327 950 HB VAL 124 HB VAL 124 -13.561 -2.828 2.001 951 1HG1 VAL 124 1HG1 VAL 124 -11.234 -2.641 1.343 952 2HG1 VAL 124 2HG1 VAL 124 -11.453 -2.095 3.007 953 3HG1 VAL 124 3HG1 VAL 124 -11.250 -0.915 1.711 954 1HG2 VAL 124 1HG2 VAL 124 -13.436 0.143 2.505 955 2HG2 VAL 124 2HG2 VAL 124 -13.613 -1.116 3.727 956 3HG2 VAL 124 3HG2 VAL 124 -14.895 -0.846 2.546 957 H GLU 125 H GLU 125 -15.316 0.255 0.368 958 HA GLU 125 HA GLU 125 -17.509 -1.657 -0.075 959 1HB GLU 125 1HB GLU 125 -17.400 -0.294 2.099 960 2HB GLU 125 2HB GLU 125 -17.792 1.103 1.106 961 1HG GLU 125 1HG GLU 125 -19.783 0.224 2.149 962 2HG GLU 125 2HG GLU 125 -19.864 0.013 0.400 963 HA PRO 126 HA PRO 126 -17.441 0.332 -4.081 964 1HB PRO 126 1HB PRO 126 -19.500 -1.120 -5.140 965 2HB PRO 126 2HB PRO 126 -17.835 -1.699 -5.029 966 1HG PRO 126 1HG PRO 126 -20.151 -2.245 -3.216 967 2HG PRO 126 2HG PRO 126 -18.932 -3.372 -3.840 968 1HD PRO 126 1HD PRO 126 -18.786 -2.388 -1.348 969 2HD PRO 126 2HD PRO 126 -17.327 -2.671 -2.322 970 H GLN 127 H GLN 127 -18.151 2.350 -3.877 971 HA GLN 127 HA GLN 127 -21.008 2.853 -3.616 972 1HB GLN 127 1HB GLN 127 -18.572 4.609 -3.433 973 2HB GLN 127 2HB GLN 127 -20.199 5.247 -3.463 974 1HG GLN 127 1HG GLN 127 -20.750 4.173 -1.408 975 2HG GLN 127 2HG GLN 127 -19.231 3.275 -1.420 976 1HE2 GLN 127 1HE2 GLN 127 -17.341 4.308 -0.869 977 2HE2 GLN 127 2HE2 GLN 127 -17.307 5.860 -0.100 978 H GLN 128 H GLN 128 -18.537 2.573 -5.802 979 HA GLN 128 HA GLN 128 -20.283 3.130 -8.004 980 1HB GLN 128 1HB GLN 128 -18.709 4.605 -9.195 981 2HB GLN 128 2HB GLN 128 -19.307 5.344 -7.718 982 1HG GLN 128 1HG GLN 128 -17.247 5.037 -6.617 983 2HG GLN 128 2HG GLN 128 -16.660 3.933 -7.858 984 1HE2 GLN 128 1HE2 GLN 128 -14.829 5.128 -8.271 985 2HE2 GLN 128 2HE2 GLN 128 -14.865 6.651 -9.092 986 H GLU 129 H GLU 129 -20.135 1.333 -9.098 987 HA GLU 129 HA GLU 129 -17.875 -0.400 -8.891 988 1HB GLU 129 1HB GLU 129 -19.222 -1.735 -10.631 989 2HB GLU 129 2HB GLU 129 -19.913 -1.528 -9.028 990 1HG GLU 129 1HG GLU 129 -21.131 0.499 -10.062 991 2HG GLU 129 2HG GLU 129 -20.712 -0.239 -11.607 992 H ARG 130 H ARG 130 -16.068 0.335 -9.794 993 HA ARG 130 HA ARG 130 -16.086 1.472 -12.483 994 1HB ARG 130 1HB ARG 130 -13.987 1.246 -10.331 995 2HB ARG 130 2HB ARG 130 -13.591 1.764 -11.960 996 1HG ARG 130 1HG ARG 130 -15.763 3.176 -10.495 997 2HG ARG 130 2HG ARG 130 -14.083 3.501 -10.063 998 1HD ARG 130 1HD ARG 130 -14.786 5.110 -11.703 999 2HD ARG 130 2HD ARG 130 -13.622 4.016 -12.441 1000 HE ARG 130 HE ARG 130 -16.473 3.470 -12.825 1001 1HH1 ARG 130 1HH1 ARG 130 -13.415 4.569 -14.138 1002 2HH1 ARG 130 2HH1 ARG 130 -13.947 4.508 -15.786 1003 1HH2 ARG 130 1HH2 ARG 130 -17.171 3.356 -14.997 1004 2HH2 ARG 130 2HH2 ARG 130 -16.091 3.802 -16.280 1005 H ALA 131 H ALA 131 -14.963 0.597 -14.200 1006 HA ALA 131 HA ALA 131 -14.522 -2.237 -14.156 1007 1HB ALA 131 1HB ALA 131 -13.918 -0.233 -16.326 1008 2HB ALA 131 2HB ALA 131 -15.435 -1.112 -16.133 1009 3HB ALA 131 3HB ALA 131 -13.949 -1.989 -16.499 1010 H SER 132 H SER 132 -12.780 -3.011 -13.158 1011 HA SER 132 HA SER 132 -10.150 -2.166 -14.024 1012 1HB SER 132 1HB SER 132 -10.996 -1.940 -11.117 1013 2HB SER 132 2HB SER 132 -9.339 -1.787 -11.696 1014 HG SER 132 HG SER 132 -11.062 -0.155 -13.048 Start of MODEL 11 1 1H MET 1 1H MET 1 22.783 6.552 -1.887 2 HA MET 1 HA MET 1 25.305 7.066 -3.060 3 1HB MET 1 1HB MET 1 26.524 8.171 -1.269 4 2HB MET 1 2HB MET 1 25.199 9.192 -1.804 5 1HG MET 1 1HG MET 1 23.881 8.262 0.147 6 2HG MET 1 2HG MET 1 25.406 7.593 0.724 7 1HE MET 1 1HE MET 1 24.456 12.083 0.292 8 2HE MET 1 2HE MET 1 23.275 10.788 0.096 9 3HE MET 1 3HE MET 1 24.560 10.998 -1.093 10 H SER 2 H SER 2 26.634 5.391 -2.652 11 HA SER 2 HA SER 2 27.316 3.351 -1.928 12 1HB SER 2 1HB SER 2 26.068 4.129 0.717 13 2HB SER 2 2HB SER 2 27.287 2.882 0.457 14 HG SER 2 HG SER 2 27.637 5.502 0.889 15 H ASN 3 H ASN 3 25.368 2.982 -3.470 16 HA ASN 3 HA ASN 3 23.594 1.740 -4.129 17 1HB ASN 3 1HB ASN 3 25.013 -0.051 -2.972 18 2HB ASN 3 2HB ASN 3 23.907 0.103 -1.612 19 1HD2 ASN 3 1HD2 ASN 3 21.758 -0.579 -1.852 20 2HD2 ASN 3 2HD2 ASN 3 21.278 -1.646 -3.132 21 H ASP 4 H ASP 4 22.422 3.731 -3.636 22 HA ASP 4 HA ASP 4 20.574 4.834 -2.969 23 1HB ASP 4 1HB ASP 4 19.558 2.498 -3.342 24 2HB ASP 4 2HB ASP 4 19.576 2.349 -1.587 25 H THR 5 H THR 5 19.154 5.257 -0.880 26 HA THR 5 HA THR 5 20.514 5.089 1.604 27 HB THR 5 HB THR 5 20.470 7.877 0.443 28 HG1 THR 5 HG1 THR 5 22.442 5.876 0.287 29 1HG2 THR 5 1HG2 THR 5 21.969 8.362 2.323 30 2HG2 THR 5 2HG2 THR 5 21.833 6.687 2.853 31 3HG2 THR 5 3HG2 THR 5 20.416 7.734 2.872 32 HA PRO 6 HA PRO 6 16.610 7.869 2.032 33 1HB PRO 6 1HB PRO 6 15.394 8.081 -0.614 34 2HB PRO 6 2HB PRO 6 15.832 9.365 0.514 35 1HG PRO 6 1HG PRO 6 17.152 8.969 -1.807 36 2HG PRO 6 2HG PRO 6 17.952 9.588 -0.351 37 1HD PRO 6 1HD PRO 6 17.947 6.813 -1.477 38 2HD PRO 6 2HD PRO 6 19.291 7.743 -0.791 39 H PHE 7 H PHE 7 16.309 5.584 -0.687 40 HA PHE 7 HA PHE 7 13.729 4.666 0.164 41 1HB PHE 7 1HB PHE 7 14.374 4.534 -2.204 42 2HB PHE 7 2HB PHE 7 15.697 3.448 -1.794 43 HD1 PHE 7 HD1 PHE 7 12.053 3.774 -2.067 44 HD2 PHE 7 HD2 PHE 7 15.310 1.128 -1.345 45 HE1 PHE 7 HE1 PHE 7 10.547 1.848 -2.325 46 HE2 PHE 7 HE2 PHE 7 13.807 -0.799 -1.600 47 HZ PHE 7 HZ PHE 7 11.425 -0.441 -2.092 48 H ASP 8 H ASP 8 17.048 3.478 0.345 49 HA ASP 8 HA ASP 8 16.621 1.023 1.573 50 1HB ASP 8 1HB ASP 8 18.818 1.938 0.797 51 2HB ASP 8 2HB ASP 8 18.850 2.958 2.221 52 H ALA 9 H ALA 9 17.261 4.143 3.084 53 HA ALA 9 HA ALA 9 16.951 3.275 5.758 54 1HB ALA 9 1HB ALA 9 18.091 5.364 5.116 55 2HB ALA 9 2HB ALA 9 16.864 5.618 6.359 56 3HB ALA 9 3HB ALA 9 16.529 6.065 4.686 57 H LEU 10 H LEU 10 14.605 4.752 3.527 58 HA LEU 10 HA LEU 10 12.488 4.897 5.384 59 1HB LEU 10 1HB LEU 10 12.833 5.192 2.497 60 2HB LEU 10 2HB LEU 10 11.266 4.547 2.941 61 HG LEU 10 HG LEU 10 11.193 6.981 2.706 62 1HD1 LEU 10 1HD1 LEU 10 9.681 5.929 4.286 63 2HD1 LEU 10 2HD1 LEU 10 10.185 7.516 4.871 64 3HD1 LEU 10 3HD1 LEU 10 10.896 6.055 5.556 65 1HD2 LEU 10 1HD2 LEU 10 13.517 7.465 3.304 66 2HD2 LEU 10 2HD2 LEU 10 13.176 7.026 4.978 67 3HD2 LEU 10 3HD2 LEU 10 12.389 8.430 4.255 68 H TRP 11 H TRP 11 13.485 2.376 3.110 69 HA TRP 11 HA TRP 11 11.317 0.631 3.560 70 1HB TRP 11 1HB TRP 11 13.130 0.553 1.723 71 2HB TRP 11 2HB TRP 11 14.104 -0.302 2.907 72 HD1 TRP 11 HD1 TRP 11 10.429 -1.103 3.010 73 HE1 TRP 11 HE1 TRP 11 10.027 -3.450 2.046 74 HE3 TRP 11 HE3 TRP 11 15.066 -1.980 1.047 75 HZ2 TRP 11 HZ2 TRP 11 11.474 -5.413 0.631 76 HZ3 TRP 11 HZ3 TRP 11 15.473 -4.119 -0.099 77 HH2 TRP 11 HH2 TRP 11 13.713 -5.799 -0.300 78 H GLN 12 H GLN 12 14.474 0.968 5.100 79 HA GLN 12 HA GLN 12 14.353 -1.189 6.855 80 1HB GLN 12 1HB GLN 12 15.614 1.533 7.202 81 2HB GLN 12 2HB GLN 12 15.899 0.186 8.273 82 1HG GLN 12 1HG GLN 12 16.701 0.474 5.407 83 2HG GLN 12 2HG GLN 12 17.734 0.262 6.819 84 1HE2 GLN 12 1HE2 GLN 12 15.725 -1.287 4.480 85 2HE2 GLN 12 2HE2 GLN 12 16.156 -2.920 4.870 86 H ARG 13 H ARG 13 13.063 2.081 7.157 87 HA ARG 13 HA ARG 13 12.044 1.818 9.781 88 1HB ARG 13 1HB ARG 13 11.197 3.614 7.502 89 2HB ARG 13 2HB ARG 13 10.590 3.756 9.146 90 1HG ARG 13 1HG ARG 13 12.861 4.185 9.944 91 2HG ARG 13 2HG ARG 13 13.460 4.053 8.289 92 1HD ARG 13 1HD ARG 13 12.045 5.950 7.641 93 2HD ARG 13 2HD ARG 13 11.477 6.088 9.304 94 HE ARG 13 HE ARG 13 14.284 6.198 9.292 95 1HH1 ARG 13 1HH1 ARG 13 11.498 8.118 8.348 96 2HH1 ARG 13 2HH1 ARG 13 12.347 9.628 8.472 97 1HH2 ARG 13 1HH2 ARG 13 15.384 8.172 9.472 98 2HH2 ARG 13 2HH2 ARG 13 14.569 9.666 9.124 99 H MET 14 H MET 14 10.461 1.569 6.619 100 HA MET 14 HA MET 14 7.922 0.820 7.466 101 1HB MET 14 1HB MET 14 9.415 -0.013 4.974 102 2HB MET 14 2HB MET 14 7.685 -0.201 5.217 103 1HG MET 14 1HG MET 14 7.382 2.176 5.321 104 2HG MET 14 2HG MET 14 9.125 2.436 5.263 105 1HE MET 14 1HE MET 14 5.953 1.255 3.293 106 2HE MET 14 2HE MET 14 7.000 -0.159 3.168 107 3HE MET 14 3HE MET 14 6.637 0.800 1.733 108 H LEU 15 H LEU 15 10.800 -1.144 6.942 109 HA LEU 15 HA LEU 15 9.612 -3.681 7.262 110 1HB LEU 15 1HB LEU 15 12.167 -2.637 6.770 111 2HB LEU 15 2HB LEU 15 12.327 -3.565 8.247 112 HG LEU 15 HG LEU 15 12.888 -4.876 6.252 113 1HD1 LEU 15 1HD1 LEU 15 10.373 -5.814 7.628 114 2HD1 LEU 15 2HD1 LEU 15 12.021 -6.027 8.222 115 3HD1 LEU 15 3HD1 LEU 15 11.507 -6.833 6.740 116 1HD2 LEU 15 1HD2 LEU 15 11.156 -5.521 4.669 117 2HD2 LEU 15 2HD2 LEU 15 11.396 -3.772 4.673 118 3HD2 LEU 15 3HD2 LEU 15 10.004 -4.472 5.495 119 H ALA 16 H ALA 16 10.910 -1.345 9.539 120 HA ALA 16 HA ALA 16 11.051 -3.015 11.801 121 1HB ALA 16 1HB ALA 16 11.218 -0.983 13.096 122 2HB ALA 16 2HB ALA 16 10.605 -0.036 11.741 123 3HB ALA 16 3HB ALA 16 12.177 -0.827 11.624 124 H ARG 17 H ARG 17 8.369 -1.411 10.277 125 HA ARG 17 HA ARG 17 6.576 -1.583 12.477 126 1HB ARG 17 1HB ARG 17 6.114 -1.275 9.516 127 2HB ARG 17 2HB ARG 17 4.822 -1.246 10.703 128 1HG ARG 17 1HG ARG 17 7.138 0.658 10.531 129 2HG ARG 17 2HG ARG 17 5.467 0.989 10.082 130 1HD ARG 17 1HD ARG 17 6.591 0.459 12.821 131 2HD ARG 17 2HD ARG 17 5.791 1.909 12.230 132 HE ARG 17 HE ARG 17 3.960 -0.149 11.976 133 1HH1 ARG 17 1HH1 ARG 17 5.623 1.546 14.550 134 2HH1 ARG 17 2HH1 ARG 17 4.444 1.122 15.762 135 1HH2 ARG 17 1HH2 ARG 17 2.417 -0.716 13.559 136 2HH2 ARG 17 2HH2 ARG 17 2.628 -0.195 15.205 137 H GLY 18 H GLY 18 7.936 -3.974 10.578 138 1HA GLY 18 1HA GLY 18 7.561 -6.267 10.847 139 2HA GLY 18 2HA GLY 18 6.010 -5.904 11.592 140 H TRP 19 H TRP 19 6.827 -4.405 8.590 141 HA TRP 19 HA TRP 19 4.643 -5.783 7.301 142 1HB TRP 19 1HB TRP 19 6.442 -3.538 6.352 143 2HB TRP 19 2HB TRP 19 5.115 -4.213 5.411 144 HD1 TRP 19 HD1 TRP 19 3.386 -4.381 8.365 145 HE1 TRP 19 HE1 TRP 19 2.151 -2.223 9.021 146 HE3 TRP 19 HE3 TRP 19 5.915 -1.072 5.401 147 HZ2 TRP 19 HZ2 TRP 19 2.240 0.525 8.370 148 HZ3 TRP 19 HZ3 TRP 19 5.277 1.302 5.477 149 HH2 TRP 19 HH2 TRP 19 3.475 2.083 6.930 150 H THR 20 H THR 20 4.838 -7.076 5.512 151 HA THR 20 HA THR 20 7.291 -8.599 5.501 152 HB THR 20 HB THR 20 4.706 -9.101 4.014 153 HG1 THR 20 HG1 THR 20 5.128 -10.779 6.055 154 1HG2 THR 20 1HG2 THR 20 6.618 -10.299 3.051 155 2HG2 THR 20 2HG2 THR 20 5.508 -11.413 3.856 156 3HG2 THR 20 3HG2 THR 20 7.018 -10.947 4.642 157 HA PRO 21 HA PRO 21 8.640 -6.612 1.670 158 1HB PRO 21 1HB PRO 21 11.112 -7.723 1.681 159 2HB PRO 21 2HB PRO 21 10.704 -6.315 2.665 160 1HG PRO 21 1HG PRO 21 10.926 -9.187 3.456 161 2HG PRO 21 2HG PRO 21 11.438 -7.737 4.338 162 1HD PRO 21 1HD PRO 21 9.135 -9.110 4.877 163 2HD PRO 21 2HD PRO 21 9.350 -7.379 5.207 164 H VAL 22 H VAL 22 8.225 -7.427 -0.309 165 HA VAL 22 HA VAL 22 8.673 -10.290 -0.761 166 HB VAL 22 HB VAL 22 6.314 -9.987 -0.090 167 1HG1 VAL 22 1HG1 VAL 22 6.105 -8.301 -2.575 168 2HG1 VAL 22 2HG1 VAL 22 5.953 -7.735 -0.912 169 3HG1 VAL 22 3HG1 VAL 22 4.751 -8.842 -1.580 170 1HG2 VAL 22 1HG2 VAL 22 6.899 -11.828 -1.549 171 2HG2 VAL 22 2HG2 VAL 22 6.707 -10.796 -2.965 172 3HG2 VAL 22 3HG2 VAL 22 5.309 -11.198 -1.973 173 H SER 23 H SER 23 9.176 -10.859 -2.847 174 HA SER 23 HA SER 23 9.822 -8.695 -4.686 175 1HB SER 23 1HB SER 23 10.897 -10.555 -5.998 176 2HB SER 23 2HB SER 23 11.541 -10.370 -4.366 177 HG SER 23 HG SER 23 11.157 -12.522 -4.606 178 H GLU 24 H GLU 24 9.182 -8.959 -7.023 179 HA GLU 24 HA GLU 24 6.396 -9.238 -7.202 180 1HB GLU 24 1HB GLU 24 6.935 -9.247 -9.770 181 2HB GLU 24 2HB GLU 24 7.163 -7.799 -8.807 182 1HG GLU 24 1HG GLU 24 9.015 -8.089 -10.305 183 2HG GLU 24 2HG GLU 24 9.559 -8.299 -8.644 184 H SER 25 H SER 25 8.981 -11.506 -7.828 185 HA SER 25 HA SER 25 7.470 -13.444 -9.206 186 1HB SER 25 1HB SER 25 9.910 -13.831 -7.461 187 2HB SER 25 2HB SER 25 9.300 -14.978 -8.653 188 HG SER 25 HG SER 25 9.859 -12.350 -9.484 189 H ARG 26 H ARG 26 7.984 -12.826 -5.774 190 HA ARG 26 HA ARG 26 6.529 -15.247 -5.064 191 1HB ARG 26 1HB ARG 26 8.494 -14.757 -3.734 192 2HB ARG 26 2HB ARG 26 7.886 -13.152 -3.354 193 1HG ARG 26 1HG ARG 26 7.642 -14.719 -1.485 194 2HG ARG 26 2HG ARG 26 6.090 -14.099 -2.045 195 1HD ARG 26 1HD ARG 26 5.842 -16.442 -1.637 196 2HD ARG 26 2HD ARG 26 5.817 -16.188 -3.380 197 HE ARG 26 HE ARG 26 8.410 -16.753 -2.924 198 1HH1 ARG 26 1HH1 ARG 26 5.420 -18.368 -2.049 199 2HH1 ARG 26 2HH1 ARG 26 6.153 -19.939 -1.930 200 1HH2 ARG 26 1HH2 ARG 26 9.369 -18.833 -2.810 201 2HH2 ARG 26 2HH2 ARG 26 8.392 -20.202 -2.384 202 H LEU 27 H LEU 27 6.046 -11.842 -5.365 203 HA LEU 27 HA LEU 27 3.793 -11.478 -3.759 204 1HB LEU 27 1HB LEU 27 5.145 -9.707 -4.950 205 2HB LEU 27 2HB LEU 27 4.321 -10.157 -6.426 206 HG LEU 27 HG LEU 27 3.497 -8.082 -5.171 207 1HD1 LEU 27 1HD1 LEU 27 1.167 -8.512 -5.751 208 2HD1 LEU 27 2HD1 LEU 27 1.511 -10.237 -5.880 209 3HD1 LEU 27 3HD1 LEU 27 2.256 -9.104 -7.007 210 1HD2 LEU 27 1HD2 LEU 27 3.478 -9.004 -2.936 211 2HD2 LEU 27 2HD2 LEU 27 2.299 -10.221 -3.424 212 3HD2 LEU 27 3HD2 LEU 27 1.849 -8.515 -3.405 213 H ASP 28 H ASP 28 4.117 -12.691 -7.053 214 HA ASP 28 HA ASP 28 1.356 -12.860 -7.645 215 1HB ASP 28 1HB ASP 28 2.988 -12.963 -9.423 216 2HB ASP 28 2HB ASP 28 3.736 -14.393 -8.720 217 H ASP 29 H ASP 29 3.650 -15.351 -6.586 218 HA ASP 29 HA ASP 29 1.917 -17.497 -6.215 219 1HB ASP 29 1HB ASP 29 4.416 -17.524 -6.051 220 2HB ASP 29 2HB ASP 29 4.285 -16.762 -4.482 221 H TRP 30 H TRP 30 3.061 -15.163 -3.868 222 HA TRP 30 HA TRP 30 1.584 -16.031 -1.670 223 1HB TRP 30 1HB TRP 30 3.553 -14.335 -1.838 224 2HB TRP 30 2HB TRP 30 2.280 -13.137 -2.054 225 HD1 TRP 30 HD1 TRP 30 2.033 -16.103 0.394 226 HE1 TRP 30 HE1 TRP 30 1.868 -15.171 2.786 227 HE3 TRP 30 HE3 TRP 30 2.754 -11.144 -0.622 228 HZ2 TRP 30 HZ2 TRP 30 2.029 -12.663 4.069 229 HZ3 TRP 30 HZ3 TRP 30 2.739 -9.545 1.249 230 HH2 TRP 30 HH2 TRP 30 2.383 -10.289 3.545 231 H LEU 31 H LEU 31 0.779 -13.596 -4.135 232 HA LEU 31 HA LEU 31 -1.692 -12.802 -3.027 233 1HB LEU 31 1HB LEU 31 -0.442 -11.618 -4.852 234 2HB LEU 31 2HB LEU 31 -0.934 -12.890 -5.951 235 HG LEU 31 HG LEU 31 -3.303 -12.279 -5.557 236 1HD1 LEU 31 1HD1 LEU 31 -3.827 -10.170 -4.456 237 2HD1 LEU 31 2HD1 LEU 31 -2.131 -9.965 -4.023 238 3HD1 LEU 31 3HD1 LEU 31 -3.061 -11.297 -3.336 239 1HD2 LEU 31 1HD2 LEU 31 -1.523 -10.039 -6.506 240 2HD2 LEU 31 2HD2 LEU 31 -3.244 -10.202 -6.853 241 3HD2 LEU 31 3HD2 LEU 31 -2.103 -11.392 -7.477 242 H THR 32 H THR 32 -0.725 -15.529 -4.921 243 HA THR 32 HA THR 32 -3.255 -16.369 -5.838 244 HB THR 32 HB THR 32 -0.756 -17.982 -5.328 245 HG1 THR 32 HG1 THR 32 -0.643 -16.186 -6.874 246 1HG2 THR 32 1HG2 THR 32 -3.155 -18.634 -7.036 247 2HG2 THR 32 2HG2 THR 32 -2.717 -19.427 -5.522 248 3HG2 THR 32 3HG2 THR 32 -1.668 -19.580 -6.934 249 H GLN 33 H GLN 33 -1.411 -17.084 -2.891 250 HA GLN 33 HA GLN 33 -3.610 -18.779 -1.969 251 1HB GLN 33 1HB GLN 33 -1.938 -19.221 -0.049 252 2HB GLN 33 2HB GLN 33 -1.639 -19.939 -1.622 253 1HG GLN 33 1HG GLN 33 -0.004 -18.219 -2.120 254 2HG GLN 33 2HG GLN 33 -0.347 -17.424 -0.583 255 1HE2 GLN 33 1HE2 GLN 33 2.149 -18.652 -1.689 256 2HE2 GLN 33 2HE2 GLN 33 2.652 -19.789 -0.480 257 H ALA 34 H ALA 34 -2.454 -15.621 -1.597 258 HA ALA 34 HA ALA 34 -4.319 -15.171 0.621 259 1HB ALA 34 1HB ALA 34 -1.533 -14.012 0.583 260 2HB ALA 34 2HB ALA 34 -2.011 -15.418 1.536 261 3HB ALA 34 3HB ALA 34 -2.745 -13.853 1.853 262 HA PRO 35 HA PRO 35 -4.865 -12.199 -2.767 263 1HB PRO 35 1HB PRO 35 -7.508 -12.389 -3.007 264 2HB PRO 35 2HB PRO 35 -6.443 -13.693 -3.543 265 1HG PRO 35 1HG PRO 35 -8.117 -13.502 -1.082 266 2HG PRO 35 2HG PRO 35 -7.768 -14.911 -2.097 267 1HD PRO 35 1HD PRO 35 -6.490 -14.247 0.311 268 2HD PRO 35 2HD PRO 35 -5.916 -15.428 -0.882 269 H ASP 36 H ASP 36 -6.067 -12.028 0.465 270 HA ASP 36 HA ASP 36 -7.152 -9.344 0.004 271 1HB ASP 36 1HB ASP 36 -7.428 -11.243 2.334 272 2HB ASP 36 2HB ASP 36 -7.979 -9.573 2.392 273 H GLY 37 H GLY 37 -6.241 -7.536 0.832 274 1HA GLY 37 1HA GLY 37 -4.765 -6.990 2.957 275 2HA GLY 37 2HA GLY 37 -3.580 -7.837 1.977 276 H VAL 38 H VAL 38 -2.372 -5.846 2.064 277 HA VAL 38 HA VAL 38 -3.192 -3.994 -0.050 278 HB VAL 38 HB VAL 38 -2.271 -2.085 1.357 279 1HG1 VAL 38 1HG1 VAL 38 -4.815 -3.434 2.253 280 2HG1 VAL 38 2HG1 VAL 38 -4.641 -2.282 0.928 281 3HG1 VAL 38 3HG1 VAL 38 -4.379 -1.759 2.592 282 1HG2 VAL 38 1HG2 VAL 38 -2.709 -4.067 3.588 283 2HG2 VAL 38 2HG2 VAL 38 -2.354 -2.350 3.786 284 3HG2 VAL 38 3HG2 VAL 38 -1.153 -3.421 3.062 285 H VAL 39 H VAL 39 -1.571 -3.420 -1.361 286 HA VAL 39 HA VAL 39 1.167 -4.201 -0.590 287 HB VAL 39 HB VAL 39 0.021 -3.958 -3.384 288 1HG1 VAL 39 1HG1 VAL 39 2.137 -4.985 -4.101 289 2HG1 VAL 39 2HG1 VAL 39 2.722 -4.921 -2.439 290 3HG1 VAL 39 3HG1 VAL 39 2.392 -3.428 -3.317 291 1HG2 VAL 39 1HG2 VAL 39 0.227 -6.394 -3.487 292 2HG2 VAL 39 2HG2 VAL 39 -0.891 -5.895 -2.222 293 3HG2 VAL 39 3HG2 VAL 39 0.736 -6.424 -1.800 294 H LEU 40 H LEU 40 2.726 -2.635 -0.617 295 HA LEU 40 HA LEU 40 1.758 0.062 -1.269 296 1HB LEU 40 1HB LEU 40 3.990 -0.873 0.534 297 2HB LEU 40 2HB LEU 40 3.764 0.805 0.089 298 HG LEU 40 HG LEU 40 1.433 0.614 1.105 299 1HD1 LEU 40 1HD1 LEU 40 2.640 -1.869 2.316 300 2HD1 LEU 40 2HD1 LEU 40 1.295 -1.823 1.173 301 3HD1 LEU 40 3HD1 LEU 40 1.111 -1.121 2.782 302 1HD2 LEU 40 1HD2 LEU 40 2.287 0.958 3.375 303 2HD2 LEU 40 2HD2 LEU 40 3.241 1.823 2.171 304 3HD2 LEU 40 3HD2 LEU 40 3.855 0.329 2.874 305 H LEU 41 H LEU 41 2.474 1.035 -3.034 306 HA LEU 41 HA LEU 41 4.604 -0.210 -4.551 307 1HB LEU 41 1HB LEU 41 2.515 0.675 -5.613 308 2HB LEU 41 2HB LEU 41 3.024 2.290 -5.162 309 HG LEU 41 HG LEU 41 5.055 1.994 -6.567 310 1HD1 LEU 41 1HD1 LEU 41 5.067 0.154 -8.197 311 2HD1 LEU 41 2HD1 LEU 41 3.660 -0.544 -7.397 312 3HD1 LEU 41 3HD1 LEU 41 5.192 -0.423 -6.534 313 1HD2 LEU 41 1HD2 LEU 41 2.403 1.643 -7.959 314 2HD2 LEU 41 2HD2 LEU 41 3.884 2.240 -8.708 315 3HD2 LEU 41 3HD2 LEU 41 3.109 3.169 -7.424 316 H SER 42 H SER 42 6.296 0.168 -3.069 317 HA SER 42 HA SER 42 6.978 2.632 -1.968 318 1HB SER 42 1HB SER 42 9.316 1.510 -1.852 319 2HB SER 42 2HB SER 42 7.973 0.753 -0.990 320 HG SER 42 HG SER 42 9.118 -0.794 -2.201 321 H SER 43 H SER 43 8.178 1.053 -4.908 322 HA SER 43 HA SER 43 9.241 1.813 -6.747 323 1HB SER 43 1HB SER 43 8.017 4.496 -6.073 324 2HB SER 43 2HB SER 43 8.556 3.938 -7.657 325 HG SER 43 HG SER 43 6.303 3.155 -6.160 326 H ASP 44 H ASP 44 9.540 5.068 -5.681 327 HA ASP 44 HA ASP 44 12.033 4.782 -4.319 328 1HB ASP 44 1HB ASP 44 13.462 5.869 -5.942 329 2HB ASP 44 2HB ASP 44 12.735 4.457 -6.698 330 HA PRO 45 HA PRO 45 10.527 8.782 -3.096 331 1HB PRO 45 1HB PRO 45 12.894 9.261 -1.558 332 2HB PRO 45 2HB PRO 45 11.323 8.704 -0.979 333 1HG PRO 45 1HG PRO 45 13.637 7.187 -0.968 334 2HG PRO 45 2HG PRO 45 11.994 6.528 -0.916 335 1HD PRO 45 1HD PRO 45 13.859 6.787 -3.238 336 2HD PRO 45 2HD PRO 45 12.725 5.478 -2.839 337 H LYS 46 H LYS 46 10.669 10.714 -4.051 338 HA LYS 46 HA LYS 46 13.263 11.521 -5.197 339 1HB LYS 46 1HB LYS 46 11.274 10.813 -6.770 340 2HB LYS 46 2HB LYS 46 10.657 12.410 -6.379 341 1HG LYS 46 1HG LYS 46 11.883 12.473 -8.456 342 2HG LYS 46 2HG LYS 46 12.736 13.406 -7.224 343 1HD LYS 46 1HD LYS 46 14.262 11.561 -6.841 344 2HD LYS 46 2HD LYS 46 13.378 10.563 -7.999 345 1HE LYS 46 1HE LYS 46 13.976 12.081 -9.796 346 2HE LYS 46 2HE LYS 46 14.798 13.142 -8.652 347 1HZ LYS 46 1HZ LYS 46 15.563 10.338 -9.280 348 2HZ LYS 46 2HZ LYS 46 16.341 11.343 -8.157 349 3HZ LYS 46 3HZ LYS 46 16.373 11.735 -9.807 350 H ARG 47 H ARG 47 10.088 12.684 -4.186 351 HA ARG 47 HA ARG 47 11.254 14.504 -2.303 352 1HB ARG 47 1HB ARG 47 11.264 15.790 -4.482 353 2HB ARG 47 2HB ARG 47 9.510 15.666 -4.487 354 1HG ARG 47 1HG ARG 47 9.378 16.924 -2.432 355 2HG ARG 47 2HG ARG 47 11.138 16.973 -2.316 356 1HD ARG 47 1HD ARG 47 9.437 18.217 -4.473 357 2HD ARG 47 2HD ARG 47 10.308 19.070 -3.200 358 HE ARG 47 HE ARG 47 12.339 17.854 -4.354 359 1HH1 ARG 47 1HH1 ARG 47 9.583 19.381 -5.873 360 2HH1 ARG 47 2HH1 ARG 47 10.439 19.803 -7.325 361 1HH2 ARG 47 1HH2 ARG 47 13.488 18.414 -6.248 362 2HH2 ARG 47 2HH2 ARG 47 12.676 19.242 -7.534 363 H THR 48 H THR 48 8.227 14.118 -4.128 364 HA THR 48 HA THR 48 6.237 13.172 -3.576 365 HB THR 48 HB THR 48 7.400 12.373 -0.910 366 HG1 THR 48 HG1 THR 48 8.492 10.785 -1.879 367 1HG2 THR 48 1HG2 THR 48 4.988 11.973 -1.252 368 2HG2 THR 48 2HG2 THR 48 5.891 10.465 -1.115 369 3HG2 THR 48 3HG2 THR 48 5.360 11.036 -2.698 370 HA PRO 49 HA PRO 49 4.125 16.396 -1.224 371 1HB PRO 49 1HB PRO 49 1.972 14.364 -1.017 372 2HB PRO 49 2HB PRO 49 1.903 16.015 -1.641 373 1HG PRO 49 1HG PRO 49 1.831 13.933 -3.297 374 2HG PRO 49 2HG PRO 49 2.719 15.406 -3.725 375 1HD PRO 49 1HD PRO 49 3.765 12.783 -2.731 376 2HD PRO 49 2HD PRO 49 4.426 13.864 -3.976 377 H GLU 50 H GLU 50 5.088 13.376 -0.137 378 HA GLU 50 HA GLU 50 5.043 14.256 2.600 379 1HB GLU 50 1HB GLU 50 2.902 12.971 2.306 380 2HB GLU 50 2HB GLU 50 3.868 11.560 1.883 381 1HG GLU 50 1HG GLU 50 3.124 11.565 4.232 382 2HG GLU 50 2HG GLU 50 4.879 11.530 4.059 383 H VAL 51 H VAL 51 7.178 14.248 2.744 384 HA VAL 51 HA VAL 51 8.876 12.473 1.335 385 HB VAL 51 HB VAL 51 9.643 14.127 3.732 386 1HG1 VAL 51 1HG1 VAL 51 11.847 14.195 2.661 387 2HG1 VAL 51 2HG1 VAL 51 11.243 13.149 1.375 388 3HG1 VAL 51 3HG1 VAL 51 11.338 12.546 3.030 389 1HG2 VAL 51 1HG2 VAL 51 8.468 15.559 2.154 390 2HG2 VAL 51 2HG2 VAL 51 9.494 14.982 0.840 391 3HG2 VAL 51 3HG2 VAL 51 10.191 15.931 2.155 392 H SER 52 H SER 52 8.028 12.694 4.787 393 HA SER 52 HA SER 52 9.252 10.058 5.123 394 1HB SER 52 1HB SER 52 10.749 11.873 5.936 395 2HB SER 52 2HB SER 52 9.498 12.342 7.080 396 HG SER 52 HG SER 52 9.899 10.614 8.277 397 H ASP 53 H ASP 53 7.779 12.149 7.516 398 HA ASP 53 HA ASP 53 6.248 11.818 9.124 399 1HB ASP 53 1HB ASP 53 4.925 11.927 6.846 400 2HB ASP 53 2HB ASP 53 4.563 10.258 7.244 401 H ASN 54 H ASN 54 4.447 9.832 9.719 402 HA ASN 54 HA ASN 54 5.878 7.297 9.857 403 1HB ASN 54 1HB ASN 54 5.055 8.806 12.356 404 2HB ASN 54 2HB ASN 54 5.640 7.149 12.321 405 1HD2 ASN 54 1HD2 ASN 54 7.827 6.754 12.053 406 2HD2 ASN 54 2HD2 ASN 54 9.016 8.011 12.145 407 HA PRO 55 HA PRO 55 1.378 6.826 9.210 408 1HB PRO 55 1HB PRO 55 2.160 4.322 7.906 409 2HB PRO 55 2HB PRO 55 1.289 5.707 7.242 410 1HG PRO 55 1HG PRO 55 3.820 5.114 6.515 411 2HG PRO 55 2HG PRO 55 3.221 6.781 6.600 412 1HD PRO 55 1HD PRO 55 4.906 5.272 8.568 413 2HD PRO 55 2HD PRO 55 5.060 6.954 8.010 414 H VAL 56 H VAL 56 0.834 6.388 11.338 415 HA VAL 56 HA VAL 56 1.135 3.592 12.218 416 HB VAL 56 HB VAL 56 0.449 6.010 13.903 417 1HG1 VAL 56 1HG1 VAL 56 -0.449 3.954 14.821 418 2HG1 VAL 56 2HG1 VAL 56 0.893 4.532 15.807 419 3HG1 VAL 56 3HG1 VAL 56 1.133 3.183 14.697 420 1HG2 VAL 56 1HG2 VAL 56 2.727 6.173 13.078 421 2HG2 VAL 56 2HG2 VAL 56 3.067 4.534 13.636 422 3HG2 VAL 56 3HG2 VAL 56 2.723 5.811 14.804 423 H MET 57 H MET 57 -1.110 6.160 11.548 424 HA MET 57 HA MET 57 -3.428 5.172 12.757 425 1HB MET 57 1HB MET 57 -4.642 6.717 11.346 426 2HB MET 57 2HB MET 57 -3.172 7.475 11.934 427 1HG MET 57 1HG MET 57 -3.557 6.302 9.188 428 2HG MET 57 2HG MET 57 -3.632 8.011 9.599 429 1HE MET 57 1HE MET 57 -1.805 6.832 7.287 430 2HE MET 57 2HE MET 57 -0.299 7.708 7.553 431 3HE MET 57 3HE MET 57 -1.842 8.549 7.694 432 H ILE 58 H ILE 58 -1.829 4.215 9.863 433 HA ILE 58 HA ILE 58 -3.860 3.113 8.333 434 HB ILE 58 HB ILE 58 -1.069 2.015 8.728 435 1HG1 ILE 58 1HG1 ILE 58 -1.085 4.371 8.016 436 2HG1 ILE 58 2HG1 ILE 58 -0.476 3.318 6.745 437 1HG2 ILE 58 1HG2 ILE 58 -1.354 0.995 6.518 438 2HG2 ILE 58 2HG2 ILE 58 -3.021 1.569 6.471 439 3HG2 ILE 58 3HG2 ILE 58 -2.534 0.380 7.676 440 1HD1 ILE 58 1HD1 ILE 58 -1.953 5.054 5.876 441 2HD1 ILE 58 2HD1 ILE 58 -3.262 4.443 6.891 442 3HD1 ILE 58 3HD1 ILE 58 -2.608 3.440 5.597 443 H GLY 59 H GLY 59 -2.174 1.765 11.138 444 1HA GLY 59 1HA GLY 59 -3.174 -0.866 10.939 445 2HA GLY 59 2HA GLY 59 -2.549 -0.118 12.400 446 H GLU 60 H GLU 60 -4.359 1.958 12.712 447 HA GLU 60 HA GLU 60 -6.425 0.659 14.096 448 1HB GLU 60 1HB GLU 60 -6.290 3.545 13.214 449 2HB GLU 60 2HB GLU 60 -7.327 2.898 14.473 450 1HG GLU 60 1HG GLU 60 -5.326 2.263 15.761 451 2HG GLU 60 2HG GLU 60 -4.323 3.005 14.516 452 H LEU 61 H LEU 61 -6.264 2.082 10.910 453 HA LEU 61 HA LEU 61 -9.025 2.123 10.331 454 1HB LEU 61 1HB LEU 61 -7.307 3.362 9.075 455 2HB LEU 61 2HB LEU 61 -6.667 1.849 8.467 456 HG LEU 61 HG LEU 61 -8.730 1.445 7.227 457 1HD1 LEU 61 1HD1 LEU 61 -10.299 2.557 8.736 458 2HD1 LEU 61 2HD1 LEU 61 -10.463 3.160 7.088 459 3HD1 LEU 61 3HD1 LEU 61 -9.617 4.123 8.299 460 1HD2 LEU 61 1HD2 LEU 61 -6.929 2.665 6.148 461 2HD2 LEU 61 2HD2 LEU 61 -7.563 4.188 6.774 462 3HD2 LEU 61 3HD2 LEU 61 -8.496 3.258 5.600 463 H LEU 62 H LEU 62 -6.512 -0.224 9.395 464 HA LEU 62 HA LEU 62 -8.265 -2.048 8.154 465 1HB LEU 62 1HB LEU 62 -5.470 -2.186 9.190 466 2HB LEU 62 2HB LEU 62 -6.276 -3.680 8.761 467 HG LEU 62 HG LEU 62 -6.568 -2.900 6.467 468 1HD1 LEU 62 1HD1 LEU 62 -5.121 -0.417 7.380 469 2HD1 LEU 62 2HD1 LEU 62 -6.802 -0.515 6.854 470 3HD1 LEU 62 3HD1 LEU 62 -5.499 -0.824 5.705 471 1HD2 LEU 62 1HD2 LEU 62 -3.744 -2.593 7.473 472 2HD2 LEU 62 2HD2 LEU 62 -4.213 -2.888 5.798 473 3HD2 LEU 62 3HD2 LEU 62 -4.537 -4.106 7.032 474 H ARG 63 H ARG 63 -7.433 -1.530 11.469 475 HA ARG 63 HA ARG 63 -7.965 -4.096 12.485 476 1HB ARG 63 1HB ARG 63 -7.747 -1.380 13.691 477 2HB ARG 63 2HB ARG 63 -8.407 -2.689 14.662 478 1HG ARG 63 1HG ARG 63 -5.722 -2.728 13.298 479 2HG ARG 63 2HG ARG 63 -5.998 -2.383 15.009 480 1HD ARG 63 1HD ARG 63 -6.992 -4.608 15.288 481 2HD ARG 63 2HD ARG 63 -6.701 -4.949 13.583 482 HE ARG 63 HE ARG 63 -4.244 -4.527 14.252 483 1HH1 ARG 63 1HH1 ARG 63 -6.675 -5.969 16.327 484 2HH1 ARG 63 2HH1 ARG 63 -5.537 -6.981 17.164 485 1HH2 ARG 63 1HH2 ARG 63 -2.752 -5.868 15.360 486 2HH2 ARG 63 2HH2 ARG 63 -3.321 -6.920 16.625 487 H GLU 64 H GLU 64 -10.208 -1.648 11.443 488 HA GLU 64 HA GLU 64 -12.302 -2.764 13.127 489 1HB GLU 64 1HB GLU 64 -13.762 -1.083 12.324 490 2HB GLU 64 2HB GLU 64 -12.212 -0.308 12.603 491 1HG GLU 64 1HG GLU 64 -11.774 -0.110 10.313 492 2HG GLU 64 2HG GLU 64 -13.035 -1.270 9.887 493 H PHE 65 H PHE 65 -10.847 -3.740 10.372 494 HA PHE 65 HA PHE 65 -13.256 -5.243 9.569 495 1HB PHE 65 1HB PHE 65 -10.931 -4.489 7.780 496 2HB PHE 65 2HB PHE 65 -12.361 -5.395 7.300 497 HD1 PHE 65 HD1 PHE 65 -10.854 -2.220 7.438 498 HD2 PHE 65 HD2 PHE 65 -14.642 -4.155 7.625 499 HE1 PHE 65 HE1 PHE 65 -11.957 -0.114 6.807 500 HE2 PHE 65 HE2 PHE 65 -15.751 -2.048 6.997 501 HZ PHE 65 HZ PHE 65 -14.408 -0.025 6.586 502 HA PRO 66 HA PRO 66 -9.874 -8.037 11.075 503 1HB PRO 66 1HB PRO 66 -11.137 -9.241 13.091 504 2HB PRO 66 2HB PRO 66 -10.503 -7.601 13.260 505 1HG PRO 66 1HG PRO 66 -13.311 -8.507 12.788 506 2HG PRO 66 2HG PRO 66 -12.714 -7.204 13.832 507 1HD PRO 66 1HD PRO 66 -13.763 -6.858 11.284 508 2HD PRO 66 2HD PRO 66 -12.717 -5.698 12.124 509 H ASP 67 H ASP 67 -12.830 -8.505 9.597 510 HA ASP 67 HA ASP 67 -13.044 -11.347 9.832 511 1HB ASP 67 1HB ASP 67 -14.995 -9.873 9.387 512 2HB ASP 67 2HB ASP 67 -14.327 -9.516 7.798 513 H TYR 68 H TYR 68 -11.203 -9.241 7.938 514 HA TYR 68 HA TYR 68 -10.413 -11.429 6.170 515 1HB TYR 68 1HB TYR 68 -10.439 -8.445 5.709 516 2HB TYR 68 2HB TYR 68 -9.569 -9.567 4.675 517 HD1 TYR 68 HD1 TYR 68 -12.674 -7.961 5.301 518 HD2 TYR 68 HD2 TYR 68 -10.954 -11.448 3.573 519 HE1 TYR 68 HE1 TYR 68 -14.723 -8.316 3.991 520 HE2 TYR 68 HE2 TYR 68 -12.999 -11.810 2.256 521 HH TYR 68 HH TYR 68 -15.361 -9.473 1.837 522 H THR 69 H THR 69 -8.299 -11.959 6.146 523 HA THR 69 HA THR 69 -6.559 -10.668 8.076 524 HB THR 69 HB THR 69 -4.891 -12.404 7.284 525 HG1 THR 69 HG1 THR 69 -6.252 -12.696 5.255 526 1HG2 THR 69 1HG2 THR 69 -7.534 -13.374 8.376 527 2HG2 THR 69 2HG2 THR 69 -6.190 -12.727 9.316 528 3HG2 THR 69 3HG2 THR 69 -6.011 -14.255 8.457 529 H TRP 70 H TRP 70 -5.717 -8.805 7.449 530 HA TRP 70 HA TRP 70 -5.306 -8.205 4.670 531 1HB TRP 70 1HB TRP 70 -4.728 -6.578 7.154 532 2HB TRP 70 2HB TRP 70 -4.587 -5.982 5.504 533 HD1 TRP 70 HD1 TRP 70 -7.181 -6.911 8.138 534 HE1 TRP 70 HE1 TRP 70 -9.474 -6.003 7.416 535 HE3 TRP 70 HE3 TRP 70 -5.955 -5.337 3.438 536 HZ2 TRP 70 HZ2 TRP 70 -10.611 -4.764 5.134 537 HZ3 TRP 70 HZ3 TRP 70 -7.693 -4.295 2.051 538 HH2 TRP 70 HH2 TRP 70 -9.974 -4.015 2.880 539 H GLN 71 H GLN 71 -3.609 -9.038 3.672 540 HA GLN 71 HA GLN 71 -1.067 -9.350 5.015 541 1HB GLN 71 1HB GLN 71 -2.091 -9.929 2.266 542 2HB GLN 71 2HB GLN 71 -0.359 -9.834 2.533 543 1HG GLN 71 1HG GLN 71 -1.114 -12.118 2.639 544 2HG GLN 71 2HG GLN 71 -0.505 -11.596 4.202 545 1HE2 GLN 71 1HE2 GLN 71 -3.378 -12.274 2.348 546 2HE2 GLN 71 2HE2 GLN 71 -4.404 -12.621 3.692 547 H VAL 72 H VAL 72 0.334 -7.749 5.261 548 HA VAL 72 HA VAL 72 0.122 -5.417 3.502 549 HB VAL 72 HB VAL 72 1.778 -5.660 6.019 550 1HG1 VAL 72 1HG1 VAL 72 0.902 -3.267 4.406 551 2HG1 VAL 72 2HG1 VAL 72 2.537 -3.916 4.514 552 3HG1 VAL 72 3HG1 VAL 72 1.774 -3.202 5.936 553 1HG2 VAL 72 1HG2 VAL 72 0.006 -4.411 7.153 554 2HG2 VAL 72 2HG2 VAL 72 -0.590 -5.959 6.552 555 3HG2 VAL 72 3HG2 VAL 72 -0.979 -4.471 5.690 556 H ALA 73 H ALA 73 1.267 -5.701 1.717 557 HA ALA 73 HA ALA 73 3.891 -7.024 1.917 558 1HB ALA 73 1HB ALA 73 2.067 -6.737 -0.470 559 2HB ALA 73 2HB ALA 73 2.288 -8.191 0.504 560 3HB ALA 73 3HB ALA 73 3.627 -7.563 -0.458 561 H ILE 74 H ILE 74 5.656 -5.866 1.580 562 HA ILE 74 HA ILE 74 5.401 -3.417 -0.033 563 HB ILE 74 HB ILE 74 7.271 -2.455 1.297 564 1HG1 ILE 74 1HG1 ILE 74 6.756 -4.826 3.105 565 2HG1 ILE 74 2HG1 ILE 74 8.218 -4.544 2.168 566 1HG2 ILE 74 1HG2 ILE 74 5.905 -1.883 3.255 567 2HG2 ILE 74 2HG2 ILE 74 4.794 -3.191 2.851 568 3HG2 ILE 74 3HG2 ILE 74 4.975 -1.819 1.756 569 1HD1 ILE 74 1HD1 ILE 74 7.212 -2.779 4.386 570 2HD1 ILE 74 2HD1 ILE 74 8.717 -2.578 3.487 571 3HD1 ILE 74 3HD1 ILE 74 8.491 -3.980 4.532 572 H ALA 75 H ALA 75 6.955 -3.062 -1.576 573 HA ALA 75 HA ALA 75 8.747 -5.359 -2.040 574 1HB ALA 75 1HB ALA 75 6.986 -5.127 -3.711 575 2HB ALA 75 2HB ALA 75 8.582 -4.874 -4.419 576 3HB ALA 75 3HB ALA 75 7.539 -3.493 -4.078 577 H ASP 76 H ASP 76 10.646 -4.844 -3.440 578 HA ASP 76 HA ASP 76 12.148 -2.632 -2.331 579 1HB ASP 76 1HB ASP 76 13.286 -4.742 -2.497 580 2HB ASP 76 2HB ASP 76 12.852 -4.916 -4.191 581 H LEU 77 H LEU 77 13.570 -1.372 -3.921 582 HA LEU 77 HA LEU 77 12.058 0.354 -5.432 583 1HB LEU 77 1HB LEU 77 14.151 1.137 -4.851 584 2HB LEU 77 2HB LEU 77 14.958 -0.341 -5.330 585 HG LEU 77 HG LEU 77 14.517 0.314 -7.728 586 1HD1 LEU 77 1HD1 LEU 77 14.060 2.658 -8.199 587 2HD1 LEU 77 2HD1 LEU 77 13.833 2.966 -6.476 588 3HD1 LEU 77 3HD1 LEU 77 12.717 1.906 -7.339 589 1HD2 LEU 77 1HD2 LEU 77 16.693 0.578 -6.692 590 2HD2 LEU 77 2HD2 LEU 77 16.214 2.152 -6.055 591 3HD2 LEU 77 3HD2 LEU 77 16.360 1.913 -7.796 592 H GLU 78 H GLU 78 14.082 -2.305 -6.691 593 HA GLU 78 HA GLU 78 13.320 -1.762 -9.399 594 1HB GLU 78 1HB GLU 78 14.657 -4.230 -8.292 595 2HB GLU 78 2HB GLU 78 14.670 -3.682 -9.960 596 1HG GLU 78 1HG GLU 78 15.976 -1.738 -9.338 597 2HG GLU 78 2HG GLU 78 15.914 -2.221 -7.642 598 H GLN 79 H GLN 79 12.219 -3.822 -6.867 599 HA GLN 79 HA GLN 79 10.800 -5.656 -8.548 600 1HB GLN 79 1HB GLN 79 10.755 -5.217 -5.561 601 2HB GLN 79 2HB GLN 79 9.949 -6.547 -6.388 602 1HG GLN 79 1HG GLN 79 11.967 -7.526 -7.033 603 2HG GLN 79 2HG GLN 79 12.883 -6.055 -6.721 604 1HE2 GLN 79 1HE2 GLN 79 14.352 -7.094 -5.413 605 2HE2 GLN 79 2HE2 GLN 79 13.945 -7.655 -3.824 606 H SER 80 H SER 80 9.898 -2.894 -6.506 607 HA SER 80 HA SER 80 7.094 -3.241 -6.966 608 1HB SER 80 1HB SER 80 6.907 -0.959 -5.935 609 2HB SER 80 2HB SER 80 7.787 -2.120 -4.944 610 HG SER 80 HG SER 80 9.654 -1.110 -5.372 611 H GLU 81 H GLU 81 9.650 -1.282 -8.365 612 HA GLU 81 HA GLU 81 8.233 0.382 -10.053 613 1HB GLU 81 1HB GLU 81 10.704 0.367 -9.663 614 2HB GLU 81 2HB GLU 81 10.823 -1.051 -10.683 615 1HG GLU 81 1HG GLU 81 9.522 1.345 -11.827 616 2HG GLU 81 2HG GLU 81 11.266 1.400 -11.581 617 H ALA 82 H ALA 82 9.395 -2.901 -10.662 618 HA ALA 82 HA ALA 82 8.292 -3.097 -13.265 619 1HB ALA 82 1HB ALA 82 8.860 -5.447 -13.140 620 2HB ALA 82 2HB ALA 82 9.069 -5.330 -11.393 621 3HB ALA 82 3HB ALA 82 10.171 -4.476 -12.472 622 H ILE 83 H ILE 83 7.025 -3.853 -10.070 623 HA ILE 83 HA ILE 83 4.742 -5.304 -10.949 624 HB ILE 83 HB ILE 83 5.257 -3.766 -8.400 625 1HG1 ILE 83 1HG1 ILE 83 5.128 -6.739 -8.948 626 2HG1 ILE 83 2HG1 ILE 83 6.615 -5.814 -8.791 627 1HG2 ILE 83 1HG2 ILE 83 2.858 -3.806 -8.821 628 2HG2 ILE 83 2HG2 ILE 83 3.276 -4.872 -7.477 629 3HG2 ILE 83 3HG2 ILE 83 2.919 -5.553 -9.065 630 1HD1 ILE 83 1HD1 ILE 83 6.006 -5.267 -6.477 631 2HD1 ILE 83 2HD1 ILE 83 6.133 -7.006 -6.749 632 3HD1 ILE 83 3HD1 ILE 83 4.548 -6.244 -6.649 633 H GLY 84 H GLY 84 5.184 -1.915 -9.959 634 1HA GLY 84 1HA GLY 84 2.543 -1.083 -10.465 635 2HA GLY 84 2HA GLY 84 3.951 -0.032 -10.407 636 H ASP 85 H ASP 85 5.428 -0.997 -12.524 637 HA ASP 85 HA ASP 85 4.331 0.354 -14.706 638 1HB ASP 85 1HB ASP 85 6.759 -0.213 -14.361 639 2HB ASP 85 2HB ASP 85 6.381 -1.861 -14.839 640 H ARG 86 H ARG 86 4.295 -3.059 -13.875 641 HA ARG 86 HA ARG 86 3.133 -3.944 -16.315 642 1HB ARG 86 1HB ARG 86 4.468 -5.392 -14.815 643 2HB ARG 86 2HB ARG 86 3.183 -5.303 -13.618 644 1HG ARG 86 1HG ARG 86 1.655 -6.374 -15.235 645 2HG ARG 86 2HG ARG 86 3.007 -6.540 -16.358 646 1HD ARG 86 1HD ARG 86 4.209 -7.870 -14.666 647 2HD ARG 86 2HD ARG 86 2.811 -7.742 -13.600 648 HE ARG 86 HE ARG 86 2.403 -8.909 -16.246 649 1HH1 ARG 86 1HH1 ARG 86 2.711 -9.351 -12.779 650 2HH1 ARG 86 2HH1 ARG 86 2.109 -10.987 -12.811 651 1HH2 ARG 86 1HH2 ARG 86 1.568 -11.039 -16.274 652 2HH2 ARG 86 2HH2 ARG 86 1.434 -11.929 -14.793 653 H PHE 87 H PHE 87 1.847 -2.768 -13.298 654 HA PHE 87 HA PHE 87 -0.814 -3.787 -13.830 655 1HB PHE 87 1HB PHE 87 0.230 -3.597 -11.516 656 2HB PHE 87 2HB PHE 87 -0.003 -1.858 -11.650 657 HD1 PHE 87 HD1 PHE 87 -2.074 -0.879 -11.144 658 HD2 PHE 87 HD2 PHE 87 -1.793 -5.101 -11.626 659 HE1 PHE 87 HE1 PHE 87 -4.361 -1.127 -10.276 660 HE2 PHE 87 HE2 PHE 87 -4.086 -5.357 -10.765 661 HZ PHE 87 HZ PHE 87 -5.371 -3.370 -10.085 662 H GLY 88 H GLY 88 0.934 -0.763 -14.034 663 1HA GLY 88 1HA GLY 88 0.143 0.701 -15.880 664 2HA GLY 88 2HA GLY 88 -1.472 0.471 -15.230 665 H VAL 89 H VAL 89 1.363 0.929 -13.233 666 HA VAL 89 HA VAL 89 0.387 3.630 -12.547 667 HB VAL 89 HB VAL 89 1.874 1.844 -10.623 668 1HG1 VAL 89 1HG1 VAL 89 1.854 4.225 -10.110 669 2HG1 VAL 89 2HG1 VAL 89 0.906 3.318 -8.932 670 3HG1 VAL 89 3HG1 VAL 89 0.093 4.240 -10.197 671 1HG2 VAL 89 1HG2 VAL 89 -0.173 0.673 -11.271 672 2HG2 VAL 89 2HG2 VAL 89 -1.121 2.102 -10.858 673 3HG2 VAL 89 3HG2 VAL 89 -0.245 1.230 -9.600 674 H PHE 90 H PHE 90 2.120 5.105 -11.793 675 HA PHE 90 HA PHE 90 4.494 4.702 -13.427 676 1HB PHE 90 1HB PHE 90 3.571 7.162 -11.928 677 2HB PHE 90 2HB PHE 90 4.927 7.087 -13.046 678 HD1 PHE 90 HD1 PHE 90 4.494 6.646 -15.463 679 HD2 PHE 90 HD2 PHE 90 1.362 7.438 -12.693 680 HE1 PHE 90 HE1 PHE 90 2.978 7.183 -17.329 681 HE2 PHE 90 HE2 PHE 90 -0.155 7.976 -14.551 682 HZ PHE 90 HZ PHE 90 0.648 7.848 -16.871 683 H ARG 91 H ARG 91 4.312 6.502 -10.387 684 HA ARG 91 HA ARG 91 6.103 4.645 -9.049 685 1HB ARG 91 1HB ARG 91 6.853 7.531 -9.582 686 2HB ARG 91 2HB ARG 91 7.677 6.496 -8.429 687 1HG ARG 91 1HG ARG 91 8.291 4.987 -10.294 688 2HG ARG 91 2HG ARG 91 7.560 6.139 -11.415 689 1HD ARG 91 1HD ARG 91 9.098 7.878 -10.514 690 2HD ARG 91 2HD ARG 91 9.893 6.624 -9.568 691 HE ARG 91 HE ARG 91 9.756 6.155 -12.431 692 1HH1 ARG 91 1HH1 ARG 91 11.656 7.210 -9.678 693 2HH1 ARG 91 2HH1 ARG 91 13.143 7.268 -10.574 694 1HH2 ARG 91 1HH2 ARG 91 11.732 6.182 -13.592 695 2HH2 ARG 91 2HH2 ARG 91 13.192 6.675 -12.788 696 H PHE 92 H PHE 92 6.821 6.371 -6.976 697 HA PHE 92 HA PHE 92 6.161 7.461 -5.109 698 1HB PHE 92 1HB PHE 92 3.593 7.893 -6.636 699 2HB PHE 92 2HB PHE 92 3.849 8.489 -5.000 700 HD1 PHE 92 HD1 PHE 92 4.436 9.043 -8.503 701 HD2 PHE 92 HD2 PHE 92 5.687 10.142 -4.584 702 HE1 PHE 92 HE1 PHE 92 5.517 11.053 -9.418 703 HE2 PHE 92 HE2 PHE 92 6.768 12.155 -5.493 704 HZ PHE 92 HZ PHE 92 6.685 12.613 -7.913 705 HA PRO 93 HA PRO 93 4.680 4.228 -2.591 706 1HB PRO 93 1HB PRO 93 3.807 6.207 -0.606 707 2HB PRO 93 2HB PRO 93 5.082 4.990 -0.499 708 1HG PRO 93 1HG PRO 93 5.609 7.610 -0.716 709 2HG PRO 93 2HG PRO 93 6.664 6.381 -1.425 710 1HD PRO 93 1HD PRO 93 4.639 8.144 -2.736 711 2HD PRO 93 2HD PRO 93 6.238 7.635 -3.317 712 H ALA 94 H ALA 94 2.860 4.111 -4.235 713 HA ALA 94 HA ALA 94 0.286 5.082 -3.348 714 1HB ALA 94 1HB ALA 94 0.977 3.233 -5.632 715 2HB ALA 94 2HB ALA 94 0.827 4.987 -5.741 716 3HB ALA 94 3HB ALA 94 -0.585 4.004 -5.351 717 H THR 95 H THR 95 -1.128 3.988 -2.128 718 HA THR 95 HA THR 95 -0.389 1.307 -1.266 719 HB THR 95 HB THR 95 -2.736 2.932 -0.277 720 HG1 THR 95 HG1 THR 95 -0.990 4.238 0.126 721 1HG2 THR 95 1HG2 THR 95 -2.716 0.568 0.358 722 2HG2 THR 95 2HG2 THR 95 -2.427 1.594 1.763 723 3HG2 THR 95 3HG2 THR 95 -1.082 0.742 1.001 724 H LEU 96 H LEU 96 -1.131 -0.346 -2.426 725 HA LEU 96 HA LEU 96 -3.616 -0.053 -3.936 726 1HB LEU 96 1HB LEU 96 -1.650 -2.350 -3.909 727 2HB LEU 96 2HB LEU 96 -2.962 -2.114 -5.047 728 HG LEU 96 HG LEU 96 -0.534 -0.335 -4.800 729 1HD1 LEU 96 1HD1 LEU 96 0.099 -1.297 -6.969 730 2HD1 LEU 96 2HD1 LEU 96 -1.263 -2.413 -6.859 731 3HD1 LEU 96 3HD1 LEU 96 0.053 -2.509 -5.690 732 1HD2 LEU 96 1HD2 LEU 96 -2.801 -0.340 -6.790 733 2HD2 LEU 96 2HD2 LEU 96 -1.352 0.664 -6.884 734 3HD2 LEU 96 3HD2 LEU 96 -2.492 0.885 -5.558 735 H VAL 97 H VAL 97 -5.442 -0.624 -2.938 736 HA VAL 97 HA VAL 97 -5.281 -2.560 -0.745 737 HB VAL 97 HB VAL 97 -6.347 -0.468 -0.157 738 1HG1 VAL 97 1HG1 VAL 97 -8.351 -1.073 -2.329 739 2HG1 VAL 97 2HG1 VAL 97 -7.155 0.223 -2.343 740 3HG1 VAL 97 3HG1 VAL 97 -8.462 0.245 -1.161 741 1HG2 VAL 97 1HG2 VAL 97 -7.149 -2.486 0.935 742 2HG2 VAL 97 2HG2 VAL 97 -8.350 -2.715 -0.336 743 3HG2 VAL 97 3HG2 VAL 97 -8.458 -1.319 0.738 744 H PHE 98 H PHE 98 -5.990 -4.540 -0.920 745 HA PHE 98 HA PHE 98 -7.801 -5.199 -3.147 746 1HB PHE 98 1HB PHE 98 -5.705 -6.977 -1.881 747 2HB PHE 98 2HB PHE 98 -6.791 -7.437 -3.182 748 HD1 PHE 98 HD1 PHE 98 -6.462 -6.608 -5.437 749 HD2 PHE 98 HD2 PHE 98 -3.792 -5.574 -2.286 750 HE1 PHE 98 HE1 PHE 98 -4.813 -5.835 -7.093 751 HE2 PHE 98 HE2 PHE 98 -2.143 -4.794 -3.934 752 HZ PHE 98 HZ PHE 98 -2.652 -4.923 -6.341 753 H THR 99 H THR 99 -9.633 -6.221 -2.642 754 HA THR 99 HA THR 99 -9.886 -7.630 -0.106 755 HB THR 99 HB THR 99 -12.157 -5.844 -0.751 756 HG1 THR 99 HG1 THR 99 -9.654 -4.974 0.267 757 1HG2 THR 99 1HG2 THR 99 -10.860 -6.742 1.817 758 2HG2 THR 99 2HG2 THR 99 -12.314 -7.421 1.087 759 3HG2 THR 99 3HG2 THR 99 -12.328 -5.771 1.707 760 H GLY 100 H GLY 100 -11.270 -9.302 -0.233 761 1HA GLY 100 1HA GLY 100 -12.594 -10.912 -1.230 762 2HA GLY 100 2HA GLY 100 -13.164 -9.676 -2.348 763 H GLY 101 H GLY 101 -9.783 -10.053 -2.044 764 1HA GLY 101 1HA GLY 101 -8.188 -11.001 -3.427 765 2HA GLY 101 2HA GLY 101 -9.465 -11.907 -4.221 766 H ASN 102 H ASN 102 -10.452 -8.774 -4.219 767 HA ASN 102 HA ASN 102 -9.401 -8.376 -6.933 768 1HB ASN 102 1HB ASN 102 -12.016 -7.446 -5.752 769 2HB ASN 102 2HB ASN 102 -11.459 -7.068 -7.375 770 1HD2 ASN 102 1HD2 ASN 102 -10.269 -9.809 -7.563 771 2HD2 ASN 102 2HD2 ASN 102 -11.612 -10.837 -7.918 772 H TYR 103 H TYR 103 -8.810 -6.345 -7.618 773 HA TYR 103 HA TYR 103 -7.657 -4.597 -5.706 774 1HB TYR 103 1HB TYR 103 -6.592 -4.817 -7.822 775 2HB TYR 103 2HB TYR 103 -8.084 -4.485 -8.691 776 HD1 TYR 103 HD1 TYR 103 -5.521 -2.905 -6.504 777 HD2 TYR 103 HD2 TYR 103 -8.595 -2.327 -9.388 778 HE1 TYR 103 HE1 TYR 103 -4.857 -0.546 -6.732 779 HE2 TYR 103 HE2 TYR 103 -7.947 0.031 -9.624 780 HH TYR 103 HH TYR 103 -5.036 1.262 -8.376 781 H ARG 104 H ARG 104 -8.500 -2.857 -4.728 782 HA ARG 104 HA ARG 104 -11.226 -2.075 -5.480 783 1HB ARG 104 1HB ARG 104 -9.680 -1.597 -2.929 784 2HB ARG 104 2HB ARG 104 -11.326 -1.049 -3.223 785 1HG ARG 104 1HG ARG 104 -10.415 -3.920 -3.188 786 2HG ARG 104 2HG ARG 104 -11.260 -3.089 -1.882 787 1HD ARG 104 1HD ARG 104 -13.213 -2.808 -3.232 788 2HD ARG 104 2HD ARG 104 -12.368 -3.389 -4.667 789 HE ARG 104 HE ARG 104 -12.169 -5.535 -3.190 790 1HH1 ARG 104 1HH1 ARG 104 -14.917 -3.386 -3.423 791 2HH1 ARG 104 2HH1 ARG 104 -16.088 -4.645 -3.165 792 1HH2 ARG 104 1HH2 ARG 104 -13.691 -7.183 -2.816 793 2HH2 ARG 104 2HH2 ARG 104 -15.385 -6.790 -2.759 794 H GLY 105 H GLY 105 -8.092 -0.624 -4.616 795 1HA GLY 105 1HA GLY 105 -8.129 1.346 -6.553 796 2HA GLY 105 2HA GLY 105 -8.944 2.034 -5.156 797 H VAL 106 H VAL 106 -7.166 3.580 -5.224 798 HA VAL 106 HA VAL 106 -4.720 2.530 -3.952 799 HB VAL 106 HB VAL 106 -4.905 4.892 -5.840 800 1HG1 VAL 106 1HG1 VAL 106 -2.503 3.627 -4.532 801 2HG1 VAL 106 2HG1 VAL 106 -3.202 5.197 -4.131 802 3HG1 VAL 106 3HG1 VAL 106 -2.471 4.937 -5.713 803 1HG2 VAL 106 1HG2 VAL 106 -3.680 2.173 -6.266 804 2HG2 VAL 106 2HG2 VAL 106 -3.597 3.529 -7.389 805 3HG2 VAL 106 3HG2 VAL 106 -5.151 2.781 -7.021 806 H LEU 107 H LEU 107 -4.153 3.452 -2.074 807 HA LEU 107 HA LEU 107 -5.599 5.862 -1.217 808 1HB LEU 107 1HB LEU 107 -3.866 4.016 0.433 809 2HB LEU 107 2HB LEU 107 -4.794 5.367 1.039 810 HG LEU 107 HG LEU 107 -6.838 4.074 0.120 811 1HD1 LEU 107 1HD1 LEU 107 -4.845 1.838 0.357 812 2HD1 LEU 107 2HD1 LEU 107 -5.619 2.391 -1.126 813 3HD1 LEU 107 3HD1 LEU 107 -6.587 1.648 0.148 814 1HD2 LEU 107 1HD2 LEU 107 -7.050 2.869 2.230 815 2HD2 LEU 107 2HD2 LEU 107 -6.409 4.495 2.479 816 3HD2 LEU 107 3HD2 LEU 107 -5.327 3.101 2.534 817 H ASN 108 H ASN 108 -4.597 7.761 -1.314 818 HA ASN 108 HA ASN 108 -1.691 7.829 -0.969 819 1HB ASN 108 1HB ASN 108 -2.352 7.968 -3.430 820 2HB ASN 108 2HB ASN 108 -3.073 9.529 -3.047 821 1HD2 ASN 108 1HD2 ASN 108 -0.108 7.728 -3.328 822 2HD2 ASN 108 2HD2 ASN 108 0.948 9.093 -3.343 823 H GLY 109 H GLY 109 -1.946 8.578 1.085 824 1HA GLY 109 1HA GLY 109 -2.078 11.323 1.532 825 2HA GLY 109 2HA GLY 109 -3.672 10.661 1.885 826 H ILE 110 H ILE 110 -1.619 11.843 3.695 827 HA ILE 110 HA ILE 110 -1.175 9.483 5.407 828 HB ILE 110 HB ILE 110 0.634 11.878 5.061 829 1HG1 ILE 110 1HG1 ILE 110 0.721 10.104 3.278 830 2HG1 ILE 110 2HG1 ILE 110 2.238 10.344 4.140 831 1HG2 ILE 110 1HG2 ILE 110 0.886 9.530 6.936 832 2HG2 ILE 110 2HG2 ILE 110 0.574 11.206 7.389 833 3HG2 ILE 110 3HG2 ILE 110 2.121 10.762 6.667 834 1HD1 ILE 110 1HD1 ILE 110 0.265 8.139 4.687 835 2HD1 ILE 110 2HD1 ILE 110 1.840 8.360 5.453 836 3HD1 ILE 110 3HD1 ILE 110 1.738 7.983 3.734 837 H HIS 111 H HIS 111 -1.489 13.032 5.442 838 HA HIS 111 HA HIS 111 -1.665 13.077 8.290 839 1HB HIS 111 1HB HIS 111 -2.011 15.241 6.225 840 2HB HIS 111 2HB HIS 111 -2.168 15.533 7.958 841 HD1 HIS 111 HD1 HIS 111 0.105 16.682 6.002 842 HD2 HIS 111 HD2 HIS 111 0.466 13.545 8.703 843 HE1 HIS 111 HE1 HIS 111 2.559 16.518 6.531 844 HE2 HIS 111 HE2 HIS 111 2.760 14.426 7.929 845 HA PRO 112 HA PRO 112 -6.251 14.314 7.743 846 1HB PRO 112 1HB PRO 112 -7.094 13.344 5.123 847 2HB PRO 112 2HB PRO 112 -7.312 14.938 5.843 848 1HG PRO 112 1HG PRO 112 -5.629 14.501 3.774 849 2HG PRO 112 2HG PRO 112 -5.329 15.736 5.008 850 1HD PRO 112 1HD PRO 112 -4.119 13.014 4.719 851 2HD PRO 112 2HD PRO 112 -3.355 14.544 5.200 852 H TRP 113 H TRP 113 -7.276 12.918 8.962 853 HA TRP 113 HA TRP 113 -6.925 10.074 8.507 854 1HB TRP 113 1HB TRP 113 -6.511 10.881 10.749 855 2HB TRP 113 2HB TRP 113 -8.103 11.623 10.821 856 HD1 TRP 113 HD1 TRP 113 -9.264 10.292 12.691 857 HE1 TRP 113 HE1 TRP 113 -9.797 7.809 13.109 858 HE3 TRP 113 HE3 TRP 113 -6.582 8.216 8.861 859 HZ2 TRP 113 HZ2 TRP 113 -9.177 5.310 11.969 860 HZ3 TRP 113 HZ3 TRP 113 -6.613 5.774 8.593 861 HH2 TRP 113 HH2 TRP 113 -7.890 4.351 10.107 862 H ALA 114 H ALA 114 -9.575 12.400 8.874 863 HA ALA 114 HA ALA 114 -11.689 10.583 8.497 864 1HB ALA 114 1HB ALA 114 -13.047 12.546 7.927 865 2HB ALA 114 2HB ALA 114 -11.581 13.520 7.806 866 3HB ALA 114 3HB ALA 114 -12.055 12.833 9.360 867 H GLU 115 H GLU 115 -9.622 12.312 6.274 868 HA GLU 115 HA GLU 115 -11.085 11.675 3.911 869 1HB GLU 115 1HB GLU 115 -9.376 13.555 4.219 870 2HB GLU 115 2HB GLU 115 -8.142 12.314 4.039 871 1HG GLU 115 1HG GLU 115 -8.459 13.390 1.929 872 2HG GLU 115 2HG GLU 115 -9.096 11.751 1.825 873 H LEU 116 H LEU 116 -8.314 10.254 5.588 874 HA LEU 116 HA LEU 116 -7.708 8.277 3.693 875 1HB LEU 116 1HB LEU 116 -6.285 8.940 5.641 876 2HB LEU 116 2HB LEU 116 -7.386 8.066 6.689 877 HG LEU 116 HG LEU 116 -6.836 5.972 5.505 878 1HD1 LEU 116 1HD1 LEU 116 -6.268 6.913 3.333 879 2HD1 LEU 116 2HD1 LEU 116 -4.951 5.919 3.952 880 3HD1 LEU 116 3HD1 LEU 116 -4.836 7.676 4.025 881 1HD2 LEU 116 1HD2 LEU 116 -4.457 7.494 6.560 882 2HD2 LEU 116 2HD2 LEU 116 -4.563 5.742 6.386 883 3HD2 LEU 116 3HD2 LEU 116 -5.623 6.579 7.517 884 H ILE 117 H ILE 117 -9.884 8.203 6.510 885 HA ILE 117 HA ILE 117 -10.802 5.554 6.145 886 HB ILE 117 HB ILE 117 -12.379 7.875 7.284 887 1HG1 ILE 117 1HG1 ILE 117 -10.634 5.876 8.740 888 2HG1 ILE 117 2HG1 ILE 117 -10.195 7.553 8.421 889 1HG2 ILE 117 1HG2 ILE 117 -13.625 6.144 8.485 890 2HG2 ILE 117 2HG2 ILE 117 -12.677 4.900 7.671 891 3HG2 ILE 117 3HG2 ILE 117 -13.754 5.938 6.737 892 1HD1 ILE 117 1HD1 ILE 117 -10.993 7.272 10.695 893 2HD1 ILE 117 2HD1 ILE 117 -12.518 6.622 10.094 894 3HD1 ILE 117 3HD1 ILE 117 -12.088 8.300 9.771 895 H ASN 118 H ASN 118 -11.962 8.678 4.991 896 HA ASN 118 HA ASN 118 -14.329 8.033 3.738 897 1HB ASN 118 1HB ASN 118 -13.370 10.318 3.970 898 2HB ASN 118 2HB ASN 118 -12.215 9.938 2.710 899 1HD2 ASN 118 1HD2 ASN 118 -12.896 11.542 1.357 900 2HD2 ASN 118 2HD2 ASN 118 -14.419 11.476 0.525 901 H LEU 119 H LEU 119 -11.159 8.226 2.198 902 HA LEU 119 HA LEU 119 -12.015 7.183 -0.275 903 1HB LEU 119 1HB LEU 119 -9.227 7.278 0.878 904 2HB LEU 119 2HB LEU 119 -9.626 7.013 -0.806 905 HG LEU 119 HG LEU 119 -10.185 9.539 0.747 906 1HD1 LEU 119 1HD1 LEU 119 -8.155 8.947 -1.405 907 2HD1 LEU 119 2HD1 LEU 119 -7.812 9.215 0.305 908 3HD1 LEU 119 3HD1 LEU 119 -8.463 10.525 -0.680 909 1HD2 LEU 119 1HD2 LEU 119 -11.868 9.124 -0.977 910 2HD2 LEU 119 2HD2 LEU 119 -10.594 8.899 -2.176 911 3HD2 LEU 119 3HD2 LEU 119 -10.825 10.475 -1.420 912 H MET 120 H MET 120 -10.373 5.620 2.469 913 HA MET 120 HA MET 120 -9.952 3.122 1.213 914 1HB MET 120 1HB MET 120 -8.984 4.059 3.410 915 2HB MET 120 2HB MET 120 -10.462 3.476 4.159 916 1HG MET 120 1HG MET 120 -8.677 1.692 2.543 917 2HG MET 120 2HG MET 120 -8.418 1.981 4.260 918 1HE MET 120 1HE MET 120 -8.520 -0.696 4.516 919 2HE MET 120 2HE MET 120 -8.865 -0.825 2.791 920 3HE MET 120 3HE MET 120 -9.891 -1.659 3.958 921 H ARG 121 H ARG 121 -12.601 4.271 3.286 922 HA ARG 121 HA ARG 121 -14.035 1.825 3.130 923 1HB ARG 121 1HB ARG 121 -14.241 3.682 4.897 924 2HB ARG 121 2HB ARG 121 -15.284 4.496 3.736 925 1HG ARG 121 1HG ARG 121 -16.881 2.766 3.808 926 2HG ARG 121 2HG ARG 121 -15.779 1.686 4.667 927 1HD ARG 121 1HD ARG 121 -15.793 3.376 6.546 928 2HD ARG 121 2HD ARG 121 -17.120 4.173 5.701 929 HE ARG 121 HE ARG 121 -18.423 2.152 6.017 930 1HH1 ARG 121 1HH1 ARG 121 -15.507 2.448 7.921 931 2HH1 ARG 121 2HH1 ARG 121 -16.010 1.320 9.142 932 1HH2 ARG 121 1HH2 ARG 121 -19.132 0.688 7.613 933 2HH2 ARG 121 2HH2 ARG 121 -18.112 0.336 8.980 934 H GLY 122 H GLY 122 -13.996 4.780 1.236 935 1HA GLY 122 1HA GLY 122 -16.296 4.253 -0.325 936 2HA GLY 122 2HA GLY 122 -14.955 5.289 -0.790 937 H LEU 123 H LEU 123 -13.018 3.088 -0.501 938 HA LEU 123 HA LEU 123 -13.336 1.954 -3.135 939 1HB LEU 123 1HB LEU 123 -11.154 1.651 -1.076 940 2HB LEU 123 2HB LEU 123 -11.093 0.979 -2.693 941 HG LEU 123 HG LEU 123 -11.251 3.925 -2.051 942 1HD1 LEU 123 1HD1 LEU 123 -8.922 2.249 -2.977 943 2HD1 LEU 123 2HD1 LEU 123 -9.117 2.962 -1.376 944 3HD1 LEU 123 3HD1 LEU 123 -8.926 4.002 -2.785 945 1HD2 LEU 123 1HD2 LEU 123 -10.808 2.491 -4.667 946 2HD2 LEU 123 2HD2 LEU 123 -10.772 4.237 -4.424 947 3HD2 LEU 123 3HD2 LEU 123 -12.276 3.346 -4.193 948 H VAL 124 H VAL 124 -12.990 0.655 0.189 949 HA VAL 124 HA VAL 124 -13.379 -2.039 -0.674 950 HB VAL 124 HB VAL 124 -13.656 -2.615 1.710 951 1HG1 VAL 124 1HG1 VAL 124 -11.331 -0.798 1.113 952 2HG1 VAL 124 2HG1 VAL 124 -11.448 -2.506 0.700 953 3HG1 VAL 124 3HG1 VAL 124 -11.390 -2.009 2.390 954 1HG2 VAL 124 1HG2 VAL 124 -13.368 0.352 2.184 955 2HG2 VAL 124 2HG2 VAL 124 -13.339 -0.894 3.431 956 3HG2 VAL 124 3HG2 VAL 124 -14.808 -0.615 2.494 957 H GLU 125 H GLU 125 -15.553 0.411 0.644 958 HA GLU 125 HA GLU 125 -17.816 -1.386 0.121 959 1HB GLU 125 1HB GLU 125 -17.766 -0.285 2.336 960 2HB GLU 125 2HB GLU 125 -17.752 1.285 1.548 961 1HG GLU 125 1HG GLU 125 -19.956 0.958 0.697 962 2HG GLU 125 2HG GLU 125 -19.969 -0.722 1.235 963 HA PRO 126 HA PRO 126 -17.344 0.715 -3.753 964 1HB PRO 126 1HB PRO 126 -19.550 -1.020 -4.620 965 2HB PRO 126 2HB PRO 126 -17.905 -0.883 -5.248 966 1HG PRO 126 1HG PRO 126 -18.646 -3.015 -3.832 967 2HG PRO 126 2HG PRO 126 -17.032 -2.304 -3.641 968 1HD PRO 126 1HD PRO 126 -19.455 -1.977 -1.901 969 2HD PRO 126 2HD PRO 126 -17.768 -2.281 -1.430 970 H GLN 127 H GLN 127 -18.164 2.704 -3.198 971 HA GLN 127 HA GLN 127 -20.898 3.289 -3.942 972 1HB GLN 127 1HB GLN 127 -18.526 5.036 -3.354 973 2HB GLN 127 2HB GLN 127 -20.116 5.639 -3.730 974 1HG GLN 127 1HG GLN 127 -21.028 4.704 -1.725 975 2HG GLN 127 2HG GLN 127 -19.498 3.899 -1.368 976 1HE2 GLN 127 1HE2 GLN 127 -19.326 4.920 0.618 977 2HE2 GLN 127 2HE2 GLN 127 -18.902 6.593 0.764 978 H GLN 128 H GLN 128 -20.687 2.265 -5.934 979 HA GLN 128 HA GLN 128 -18.560 2.822 -7.714 980 1HB GLN 128 1HB GLN 128 -19.722 0.639 -7.632 981 2HB GLN 128 2HB GLN 128 -21.142 1.395 -8.345 982 1HG GLN 128 1HG GLN 128 -19.965 1.867 -10.365 983 2HG GLN 128 2HG GLN 128 -18.434 1.360 -9.652 984 1HE2 GLN 128 1HE2 GLN 128 -18.060 -0.186 -11.219 985 2HE2 GLN 128 2HE2 GLN 128 -18.970 -1.659 -11.317 986 H GLU 129 H GLU 129 -18.968 5.196 -7.590 987 HA GLU 129 HA GLU 129 -20.454 5.935 -10.007 988 1HB GLU 129 1HB GLU 129 -20.644 7.457 -8.048 989 2HB GLU 129 2HB GLU 129 -18.902 7.680 -8.069 990 1HG GLU 129 1HG GLU 129 -19.031 8.745 -10.234 991 2HG GLU 129 2HG GLU 129 -20.766 8.444 -10.304 992 H ARG 130 H ARG 130 -19.128 4.651 -11.342 993 HA ARG 130 HA ARG 130 -16.305 4.599 -11.027 994 1HB ARG 130 1HB ARG 130 -18.070 2.855 -12.029 995 2HB ARG 130 2HB ARG 130 -17.543 3.595 -13.532 996 1HG ARG 130 1HG ARG 130 -15.665 2.399 -11.507 997 2HG ARG 130 2HG ARG 130 -16.321 1.516 -12.885 998 1HD ARG 130 1HD ARG 130 -14.638 4.014 -13.022 999 2HD ARG 130 2HD ARG 130 -14.075 2.374 -13.341 1000 HE ARG 130 HE ARG 130 -16.301 3.103 -14.988 1001 1HH1 ARG 130 1HH1 ARG 130 -12.812 3.223 -14.667 1002 2HH1 ARG 130 2HH1 ARG 130 -12.537 3.603 -16.343 1003 1HH2 ARG 130 1HH2 ARG 130 -15.956 3.585 -17.192 1004 2HH2 ARG 130 2HH2 ARG 130 -14.331 3.793 -17.789 1005 H ALA 131 H ALA 131 -15.355 6.488 -11.359 1006 HA ALA 131 HA ALA 131 -14.946 7.295 -14.101 1007 1HB ALA 131 1HB ALA 131 -16.902 8.657 -13.516 1008 2HB ALA 131 2HB ALA 131 -15.467 9.660 -13.737 1009 3HB ALA 131 3HB ALA 131 -16.043 9.289 -12.111 1010 H SER 132 H SER 132 -12.882 6.511 -13.604 1011 HA SER 132 HA SER 132 -11.128 8.385 -12.298 1012 1HB SER 132 1HB SER 132 -11.385 5.562 -11.212 1013 2HB SER 132 2HB SER 132 -10.180 6.748 -10.711 1014 HG SER 132 HG SER 132 -12.398 8.001 -10.416 Start of MODEL 12 1 1H MET 1 1H MET 1 20.100 10.773 -5.423 2 HA MET 1 HA MET 1 19.548 8.275 -6.631 3 1HB MET 1 1HB MET 1 22.000 8.047 -6.766 4 2HB MET 1 2HB MET 1 22.117 8.289 -5.031 5 1HG MET 1 1HG MET 1 20.909 6.235 -4.629 6 2HG MET 1 2HG MET 1 20.683 6.006 -6.362 7 1HE MET 1 1HE MET 1 21.889 3.776 -4.457 8 2HE MET 1 2HE MET 1 23.241 3.185 -5.424 9 3HE MET 1 3HE MET 1 21.696 3.551 -6.199 10 H SER 2 H SER 2 20.973 9.337 -3.543 11 HA SER 2 HA SER 2 20.217 9.297 -1.415 12 1HB SER 2 1HB SER 2 17.539 9.671 -2.768 13 2HB SER 2 2HB SER 2 17.893 10.006 -1.071 14 HG SER 2 HG SER 2 17.992 11.852 -2.568 15 H ASN 3 H ASN 3 20.846 6.869 -1.888 16 HA ASN 3 HA ASN 3 18.566 5.249 -0.941 17 1HB ASN 3 1HB ASN 3 19.416 4.651 -3.252 18 2HB ASN 3 2HB ASN 3 20.943 4.199 -2.500 19 1HD2 ASN 3 1HD2 ASN 3 20.787 2.045 -3.066 20 2HD2 ASN 3 2HD2 ASN 3 19.633 0.973 -2.357 21 H ASP 4 H ASP 4 19.401 3.254 0.272 22 HA ASP 4 HA ASP 4 20.541 2.256 1.952 23 1HB ASP 4 1HB ASP 4 22.770 4.112 1.121 24 2HB ASP 4 2HB ASP 4 22.940 2.834 2.317 25 H THR 5 H THR 5 19.345 5.174 2.143 26 HA THR 5 HA THR 5 19.711 5.255 5.001 27 HB THR 5 HB THR 5 20.403 7.686 3.346 28 HG1 THR 5 HG1 THR 5 21.879 5.644 4.261 29 1HG2 THR 5 1HG2 THR 5 20.294 7.321 6.336 30 2HG2 THR 5 2HG2 THR 5 19.208 8.323 5.372 31 3HG2 THR 5 3HG2 THR 5 20.917 8.744 5.503 32 HA PRO 6 HA PRO 6 15.940 8.040 3.968 33 1HB PRO 6 1HB PRO 6 15.597 7.950 1.048 34 2HB PRO 6 2HB PRO 6 15.607 9.343 2.133 35 1HG PRO 6 1HG PRO 6 17.623 8.872 0.424 36 2HG PRO 6 2HG PRO 6 17.906 9.577 2.027 37 1HD PRO 6 1HD PRO 6 18.261 6.742 1.112 38 2HD PRO 6 2HD PRO 6 19.333 7.742 2.111 39 H PHE 7 H PHE 7 16.071 5.854 1.150 40 HA PHE 7 HA PHE 7 13.542 4.695 1.603 41 1HB PHE 7 1HB PHE 7 14.651 4.619 -0.585 42 2HB PHE 7 2HB PHE 7 15.931 3.614 0.082 43 HD1 PHE 7 HD1 PHE 7 12.268 3.672 -0.556 44 HD2 PHE 7 HD2 PHE 7 15.755 1.304 0.047 45 HE1 PHE 7 HE1 PHE 7 10.993 1.650 -1.140 46 HE2 PHE 7 HE2 PHE 7 14.485 -0.719 -0.535 47 HZ PHE 7 HZ PHE 7 12.101 -0.547 -1.132 48 H ASP 8 H ASP 8 16.765 3.897 2.689 49 HA ASP 8 HA ASP 8 16.377 1.306 3.668 50 1HB ASP 8 1HB ASP 8 18.563 2.511 3.453 51 2HB ASP 8 2HB ASP 8 18.129 3.473 4.846 52 H ALA 9 H ALA 9 16.301 4.392 5.366 53 HA ALA 9 HA ALA 9 15.428 3.383 7.843 54 1HB ALA 9 1HB ALA 9 16.437 5.613 7.544 55 2HB ALA 9 2HB ALA 9 14.915 5.674 8.437 56 3HB ALA 9 3HB ALA 9 14.962 6.154 6.740 57 H LEU 10 H LEU 10 13.573 4.820 5.163 58 HA LEU 10 HA LEU 10 11.058 4.715 6.379 59 1HB LEU 10 1HB LEU 10 12.111 5.063 3.667 60 2HB LEU 10 2HB LEU 10 10.500 4.383 3.724 61 HG LEU 10 HG LEU 10 10.419 6.807 3.478 62 1HD1 LEU 10 1HD1 LEU 10 8.614 5.702 4.692 63 2HD1 LEU 10 2HD1 LEU 10 8.915 7.319 5.331 64 3HD1 LEU 10 3HD1 LEU 10 9.501 5.902 6.204 65 1HD2 LEU 10 1HD2 LEU 10 11.184 8.278 5.274 66 2HD2 LEU 10 2HD2 LEU 10 12.525 7.374 4.572 67 3HD2 LEU 10 3HD2 LEU 10 11.856 6.889 6.131 68 H TRP 11 H TRP 11 12.770 2.290 4.437 69 HA TRP 11 HA TRP 11 10.583 0.475 4.343 70 1HB TRP 11 1HB TRP 11 12.819 0.580 2.933 71 2HB TRP 11 2HB TRP 11 13.418 -0.482 4.206 72 HD1 TRP 11 HD1 TRP 11 9.801 -1.016 3.403 73 HE1 TRP 11 HE1 TRP 11 9.510 -3.167 2.026 74 HE3 TRP 11 HE3 TRP 11 14.705 -1.952 2.308 75 HZ2 TRP 11 HZ2 TRP 11 11.137 -5.018 0.661 76 HZ3 TRP 11 HZ3 TRP 11 15.252 -3.939 0.967 77 HH2 TRP 11 HH2 TRP 11 13.501 -5.439 0.158 78 H GLN 12 H GLN 12 13.426 0.794 6.431 79 HA GLN 12 HA GLN 12 12.937 -1.422 8.073 80 1HB GLN 12 1HB GLN 12 14.446 1.147 8.448 81 2HB GLN 12 2HB GLN 12 14.330 -0.031 9.740 82 1HG GLN 12 1HG GLN 12 15.427 -0.586 6.998 83 2HG GLN 12 2HG GLN 12 16.398 -0.235 8.427 84 1HE2 GLN 12 1HE2 GLN 12 14.637 -1.733 10.197 85 2HE2 GLN 12 2HE2 GLN 12 14.949 -3.406 9.894 86 H ARG 13 H ARG 13 11.686 1.865 8.164 87 HA ARG 13 HA ARG 13 10.454 1.837 10.662 88 1HB ARG 13 1HB ARG 13 9.544 3.133 8.086 89 2HB ARG 13 2HB ARG 13 8.803 3.438 9.648 90 1HG ARG 13 1HG ARG 13 11.669 4.007 8.929 91 2HG ARG 13 2HG ARG 13 10.369 5.195 9.003 92 1HD ARG 13 1HD ARG 13 11.420 3.552 11.304 93 2HD ARG 13 2HD ARG 13 11.721 5.267 11.024 94 HE ARG 13 HE ARG 13 9.236 4.045 11.956 95 1HH1 ARG 13 1HH1 ARG 13 10.940 6.952 10.950 96 2HH1 ARG 13 2HH1 ARG 13 9.779 8.026 11.674 97 1HH2 ARG 13 1HH2 ARG 13 7.752 5.455 12.933 98 2HH2 ARG 13 2HH2 ARG 13 7.980 7.174 12.828 99 H MET 14 H MET 14 9.085 0.914 7.513 100 HA MET 14 HA MET 14 6.654 -0.078 8.574 101 1HB MET 14 1HB MET 14 8.047 -0.644 5.949 102 2HB MET 14 2HB MET 14 6.408 -1.152 6.333 103 1HG MET 14 1HG MET 14 5.773 1.208 6.628 104 2HG MET 14 2HG MET 14 7.404 1.682 6.159 105 1HE MET 14 1HE MET 14 8.405 1.365 3.734 106 2HE MET 14 2HE MET 14 7.561 0.534 2.425 107 3HE MET 14 3HE MET 14 8.093 -0.366 3.845 108 H LEU 15 H LEU 15 9.789 -1.509 8.009 109 HA LEU 15 HA LEU 15 9.013 -4.227 8.233 110 1HB LEU 15 1HB LEU 15 11.500 -2.709 8.074 111 2HB LEU 15 2HB LEU 15 11.635 -4.125 9.099 112 HG LEU 15 HG LEU 15 12.334 -4.580 6.785 113 1HD1 LEU 15 1HD1 LEU 15 11.473 -6.404 8.105 114 2HD1 LEU 15 2HD1 LEU 15 10.961 -6.584 6.427 115 3HD1 LEU 15 3HD1 LEU 15 9.821 -6.000 7.639 116 1HD2 LEU 15 1HD2 LEU 15 10.877 -3.008 5.633 117 2HD2 LEU 15 2HD2 LEU 15 9.467 -3.969 6.083 118 3HD2 LEU 15 3HD2 LEU 15 10.679 -4.638 4.992 119 H ALA 16 H ALA 16 9.561 -1.750 10.575 120 HA ALA 16 HA ALA 16 10.356 -3.251 12.789 121 1HB ALA 16 1HB ALA 16 10.436 -0.803 12.705 122 2HB ALA 16 2HB ALA 16 9.596 -1.384 14.142 123 3HB ALA 16 3HB ALA 16 8.673 -0.749 12.780 124 H ARG 17 H ARG 17 7.125 -2.683 11.471 125 HA ARG 17 HA ARG 17 5.826 -3.903 13.739 126 1HB ARG 17 1HB ARG 17 4.660 -3.243 11.033 127 2HB ARG 17 2HB ARG 17 3.764 -3.590 12.508 128 1HG ARG 17 1HG ARG 17 4.957 -1.578 13.509 129 2HG ARG 17 2HG ARG 17 5.414 -1.179 11.851 130 1HD ARG 17 1HD ARG 17 3.448 0.034 12.331 131 2HD ARG 17 2HD ARG 17 2.976 -1.286 11.264 132 HE ARG 17 HE ARG 17 2.551 -2.314 13.742 133 1HH1 ARG 17 1HH1 ARG 17 1.504 0.648 12.183 134 2HH1 ARG 17 2HH1 ARG 17 0.027 0.760 13.101 135 1HH2 ARG 17 1HH2 ARG 17 0.602 -2.155 14.944 136 2HH2 ARG 17 2HH2 ARG 17 -0.464 -0.806 14.658 137 H GLY 18 H GLY 18 7.555 -5.142 11.211 138 1HA GLY 18 1HA GLY 18 7.981 -7.422 10.916 139 2HA GLY 18 2HA GLY 18 6.484 -7.791 11.756 140 H TRP 19 H TRP 19 6.462 -5.487 9.163 141 HA TRP 19 HA TRP 19 4.639 -7.086 7.677 142 1HB TRP 19 1HB TRP 19 5.955 -4.431 7.103 143 2HB TRP 19 2HB TRP 19 4.816 -5.200 6.000 144 HD1 TRP 19 HD1 TRP 19 3.001 -6.248 8.642 145 HE1 TRP 19 HE1 TRP 19 1.352 -4.532 9.634 146 HE3 TRP 19 HE3 TRP 19 5.074 -1.968 6.764 147 HZ2 TRP 19 HZ2 TRP 19 0.993 -1.734 9.617 148 HZ3 TRP 19 HZ3 TRP 19 4.016 0.185 7.296 149 HH2 TRP 19 HH2 TRP 19 2.015 0.300 8.693 150 H THR 20 H THR 20 4.940 -7.849 5.560 151 HA THR 20 HA THR 20 7.579 -9.063 5.354 152 HB THR 20 HB THR 20 6.299 -10.625 3.761 153 HG1 THR 20 HG1 THR 20 4.461 -8.998 3.786 154 1HG2 THR 20 1HG2 THR 20 6.991 -11.254 6.027 155 2HG2 THR 20 2HG2 THR 20 5.408 -11.922 5.632 156 3HG2 THR 20 3HG2 THR 20 5.531 -10.508 6.680 157 HA PRO 21 HA PRO 21 8.343 -6.960 1.444 158 1HB PRO 21 1HB PRO 21 10.818 -8.444 1.338 159 2HB PRO 21 2HB PRO 21 10.586 -6.723 1.645 160 1HG PRO 21 1HG PRO 21 11.496 -8.498 3.519 161 2HG PRO 21 2HG PRO 21 10.643 -6.994 3.912 162 1HD PRO 21 1HD PRO 21 9.593 -9.800 3.800 163 2HD PRO 21 2HD PRO 21 9.245 -8.512 4.974 164 H VAL 22 H VAL 22 8.175 -7.615 -0.687 165 HA VAL 22 HA VAL 22 8.211 -10.496 -1.245 166 HB VAL 22 HB VAL 22 5.876 -9.896 -0.778 167 1HG1 VAL 22 1HG1 VAL 22 4.651 -8.372 -2.257 168 2HG1 VAL 22 2HG1 VAL 22 6.160 -7.955 -3.073 169 3HG1 VAL 22 3HG1 VAL 22 5.933 -7.539 -1.374 170 1HG2 VAL 22 1HG2 VAL 22 6.396 -10.457 -3.693 171 2HG2 VAL 22 2HG2 VAL 22 4.877 -10.743 -2.846 172 3HG2 VAL 22 3HG2 VAL 22 6.322 -11.650 -2.397 173 H SER 23 H SER 23 8.792 -11.031 -3.351 174 HA SER 23 HA SER 23 9.999 -8.850 -4.873 175 1HB SER 23 1HB SER 23 10.284 -11.845 -5.247 176 2HB SER 23 2HB SER 23 11.243 -10.594 -6.041 177 HG SER 23 HG SER 23 11.161 -10.498 -3.262 178 H GLU 24 H GLU 24 9.892 -9.085 -7.322 179 HA GLU 24 HA GLU 24 7.229 -8.684 -8.092 180 1HB GLU 24 1HB GLU 24 9.265 -7.724 -9.189 181 2HB GLU 24 2HB GLU 24 9.569 -9.298 -9.905 182 1HG GLU 24 1HG GLU 24 6.891 -8.194 -10.386 183 2HG GLU 24 2HG GLU 24 8.225 -7.307 -11.118 184 H SER 25 H SER 25 9.397 -11.395 -8.956 185 HA SER 25 HA SER 25 7.321 -12.867 -10.248 186 1HB SER 25 1HB SER 25 10.092 -13.645 -9.343 187 2HB SER 25 2HB SER 25 9.021 -14.714 -10.247 188 HG SER 25 HG SER 25 9.281 -13.544 -12.007 189 H ARG 26 H ARG 26 7.457 -12.205 -7.144 190 HA ARG 26 HA ARG 26 6.466 -14.841 -6.316 191 1HB ARG 26 1HB ARG 26 8.292 -12.972 -4.813 192 2HB ARG 26 2HB ARG 26 7.354 -14.218 -3.999 193 1HG ARG 26 1HG ARG 26 9.330 -14.737 -6.209 194 2HG ARG 26 2HG ARG 26 9.673 -14.884 -4.485 195 1HD ARG 26 1HD ARG 26 7.948 -16.595 -4.274 196 2HD ARG 26 2HD ARG 26 7.558 -16.425 -5.984 197 HE ARG 26 HE ARG 26 10.194 -17.047 -6.018 198 1HH1 ARG 26 1HH1 ARG 26 7.415 -18.524 -4.449 199 2HH1 ARG 26 2HH1 ARG 26 8.051 -20.140 -4.577 200 1HH2 ARG 26 1HH2 ARG 26 11.026 -19.170 -6.173 201 2HH2 ARG 26 2HH2 ARG 26 10.088 -20.507 -5.569 202 H LEU 27 H LEU 27 5.756 -11.709 -6.883 203 HA LEU 27 HA LEU 27 4.147 -10.876 -4.782 204 1HB LEU 27 1HB LEU 27 4.819 -9.586 -6.862 205 2HB LEU 27 2HB LEU 27 3.546 -10.435 -7.708 206 HG LEU 27 HG LEU 27 3.022 -8.076 -6.931 207 1HD1 LEU 27 1HD1 LEU 27 1.204 -10.293 -6.006 208 2HD1 LEU 27 2HD1 LEU 27 1.263 -9.598 -7.625 209 3HD1 LEU 27 3HD1 LEU 27 0.733 -8.612 -6.261 210 1HD2 LEU 27 1HD2 LEU 27 2.875 -9.446 -4.249 211 2HD2 LEU 27 2HD2 LEU 27 2.341 -7.802 -4.604 212 3HD2 LEU 27 3HD2 LEU 27 4.049 -8.221 -4.728 213 H ASP 28 H ASP 28 3.331 -12.893 -7.588 214 HA ASP 28 HA ASP 28 0.595 -13.240 -6.743 215 1HB ASP 28 1HB ASP 28 1.282 -13.329 -9.130 216 2HB ASP 28 2HB ASP 28 2.153 -14.823 -8.799 217 H ASP 29 H ASP 29 3.582 -14.921 -6.350 218 HA ASP 29 HA ASP 29 2.711 -17.427 -5.434 219 1HB ASP 29 1HB ASP 29 5.080 -16.556 -6.022 220 2HB ASP 29 2HB ASP 29 5.128 -15.972 -4.369 221 H TRP 30 H TRP 30 3.758 -14.576 -3.631 222 HA TRP 30 HA TRP 30 2.837 -15.487 -1.118 223 1HB TRP 30 1HB TRP 30 3.616 -12.765 -2.146 224 2HB TRP 30 2HB TRP 30 3.089 -13.023 -0.485 225 HD1 TRP 30 HD1 TRP 30 5.602 -15.016 -2.683 226 HE1 TRP 30 HE1 TRP 30 7.787 -15.277 -1.352 227 HE3 TRP 30 HE3 TRP 30 4.320 -12.351 1.484 228 HZ2 TRP 30 HZ2 TRP 30 8.833 -14.443 1.132 229 HZ3 TRP 30 HZ3 TRP 30 5.975 -12.127 3.291 230 HH2 TRP 30 HH2 TRP 30 8.183 -13.152 3.116 231 H LEU 31 H LEU 31 1.289 -13.776 -3.739 232 HA LEU 31 HA LEU 31 -0.888 -12.718 -2.286 233 1HB LEU 31 1HB LEU 31 -0.251 -11.971 -4.547 234 2HB LEU 31 2HB LEU 31 -0.761 -13.515 -5.197 235 HG LEU 31 HG LEU 31 -3.080 -13.018 -4.461 236 1HD1 LEU 31 1HD1 LEU 31 -1.957 -10.299 -3.802 237 2HD1 LEU 31 2HD1 LEU 31 -2.545 -11.484 -2.637 238 3HD1 LEU 31 3HD1 LEU 31 -3.661 -10.754 -3.789 239 1HD2 LEU 31 1HD2 LEU 31 -2.411 -12.569 -6.744 240 2HD2 LEU 31 2HD2 LEU 31 -1.798 -10.984 -6.278 241 3HD2 LEU 31 3HD2 LEU 31 -3.525 -11.323 -6.184 242 H THR 32 H THR 32 -0.264 -15.911 -3.578 243 HA THR 32 HA THR 32 -3.040 -16.679 -3.217 244 HB THR 32 HB THR 32 -1.769 -17.544 -5.165 245 HG1 THR 32 HG1 THR 32 -2.559 -19.657 -3.418 246 1HG2 THR 32 1HG2 THR 32 -0.274 -19.147 -3.089 247 2HG2 THR 32 2HG2 THR 32 0.406 -17.894 -4.130 248 3HG2 THR 32 3HG2 THR 32 -0.192 -19.397 -4.832 249 H GLN 33 H GLN 33 0.027 -17.060 -1.524 250 HA GLN 33 HA GLN 33 -1.177 -18.960 0.321 251 1HB GLN 33 1HB GLN 33 1.591 -17.803 0.110 252 2HB GLN 33 2HB GLN 33 1.088 -18.813 1.454 253 1HG GLN 33 1HG GLN 33 0.446 -20.557 -0.252 254 2HG GLN 33 2HG GLN 33 1.278 -19.564 -1.445 255 1HE2 GLN 33 1HE2 GLN 33 1.641 -21.575 1.371 256 2HE2 GLN 33 2HE2 GLN 33 3.351 -21.812 1.233 257 H ALA 34 H ALA 34 -0.400 -15.571 0.216 258 HA ALA 34 HA ALA 34 -1.108 -15.243 3.051 259 1HB ALA 34 1HB ALA 34 0.918 -14.112 2.256 260 2HB ALA 34 2HB ALA 34 -0.304 -12.955 2.786 261 3HB ALA 34 3HB ALA 34 -0.040 -13.235 1.065 262 HA PRO 35 HA PRO 35 -5.149 -13.634 1.995 263 1HB PRO 35 1HB PRO 35 -5.412 -11.620 3.830 264 2HB PRO 35 2HB PRO 35 -5.636 -13.329 4.213 265 1HG PRO 35 1HG PRO 35 -3.268 -11.574 4.696 266 2HG PRO 35 2HG PRO 35 -3.968 -12.832 5.732 267 1HD PRO 35 1HD PRO 35 -1.744 -13.234 4.229 268 2HD PRO 35 2HD PRO 35 -2.894 -14.530 4.610 269 H ASP 36 H ASP 36 -6.089 -11.957 0.807 270 HA ASP 36 HA ASP 36 -4.253 -10.178 -0.483 271 1HB ASP 36 1HB ASP 36 -6.292 -9.366 -1.704 272 2HB ASP 36 2HB ASP 36 -5.983 -11.087 -1.856 273 H GLY 37 H GLY 37 -3.559 -8.385 0.391 274 1HA GLY 37 1HA GLY 37 -5.421 -6.810 2.047 275 2HA GLY 37 2HA GLY 37 -3.772 -7.123 2.570 276 H VAL 38 H VAL 38 -2.202 -5.730 1.971 277 HA VAL 38 HA VAL 38 -2.837 -3.786 -0.139 278 HB VAL 38 HB VAL 38 -1.854 -1.970 1.316 279 1HG1 VAL 38 1HG1 VAL 38 -3.946 -1.554 2.512 280 2HG1 VAL 38 2HG1 VAL 38 -4.433 -3.227 2.246 281 3HG1 VAL 38 3HG1 VAL 38 -4.252 -2.135 0.874 282 1HG2 VAL 38 1HG2 VAL 38 -1.921 -2.286 3.736 283 2HG2 VAL 38 2HG2 VAL 38 -0.795 -3.418 2.983 284 3HG2 VAL 38 3HG2 VAL 38 -2.386 -3.972 3.509 285 H VAL 39 H VAL 39 -1.150 -3.018 -1.296 286 HA VAL 39 HA VAL 39 1.568 -3.858 -0.509 287 HB VAL 39 HB VAL 39 0.474 -3.793 -3.335 288 1HG1 VAL 39 1HG1 VAL 39 3.211 -4.554 -2.323 289 2HG1 VAL 39 2HG1 VAL 39 2.804 -3.117 -3.263 290 3HG1 VAL 39 3HG1 VAL 39 2.648 -4.719 -3.986 291 1HG2 VAL 39 1HG2 VAL 39 1.304 -6.141 -1.631 292 2HG2 VAL 39 2HG2 VAL 39 0.811 -6.218 -3.323 293 3HG2 VAL 39 3HG2 VAL 39 -0.345 -5.722 -2.089 294 H LEU 40 H LEU 40 3.044 -2.227 -0.508 295 HA LEU 40 HA LEU 40 2.043 0.400 -1.342 296 1HB LEU 40 1HB LEU 40 4.198 -0.390 0.605 297 2HB LEU 40 2HB LEU 40 3.967 1.260 0.069 298 HG LEU 40 HG LEU 40 1.580 1.055 0.963 299 1HD1 LEU 40 1HD1 LEU 40 2.795 -1.343 2.318 300 2HD1 LEU 40 2HD1 LEU 40 1.446 -1.347 1.180 301 3HD1 LEU 40 3HD1 LEU 40 1.264 -0.589 2.761 302 1HD2 LEU 40 1HD2 LEU 40 3.322 2.364 2.055 303 2HD2 LEU 40 2HD2 LEU 40 3.875 0.921 2.905 304 3HD2 LEU 40 3HD2 LEU 40 2.272 1.578 3.235 305 H LEU 41 H LEU 41 3.154 1.742 -2.699 306 HA LEU 41 HA LEU 41 5.187 0.531 -4.390 307 1HB LEU 41 1HB LEU 41 3.141 2.365 -4.777 308 2HB LEU 41 2HB LEU 41 4.578 3.367 -4.793 309 HG LEU 41 HG LEU 41 3.902 2.708 -7.050 310 1HD1 LEU 41 1HD1 LEU 41 6.264 3.111 -6.619 311 2HD1 LEU 41 2HD1 LEU 41 6.041 1.861 -7.846 312 3HD1 LEU 41 3HD1 LEU 41 6.485 1.412 -6.198 313 1HD2 LEU 41 1HD2 LEU 41 4.397 -0.107 -6.103 314 2HD2 LEU 41 2HD2 LEU 41 4.106 0.373 -7.774 315 3HD2 LEU 41 3HD2 LEU 41 2.842 0.591 -6.562 316 H SER 42 H SER 42 5.224 1.880 -1.490 317 HA SER 42 HA SER 42 6.602 2.975 -0.111 318 1HB SER 42 1HB SER 42 8.999 2.748 -0.404 319 2HB SER 42 2HB SER 42 8.203 1.240 -0.839 320 HG SER 42 HG SER 42 8.309 2.415 -3.078 321 H SER 43 H SER 43 8.263 4.830 0.059 322 HA SER 43 HA SER 43 8.647 7.049 -0.171 323 1HB SER 43 1HB SER 43 9.498 6.294 -2.427 324 2HB SER 43 2HB SER 43 7.919 6.707 -3.092 325 HG SER 43 HG SER 43 8.611 8.681 -3.209 326 H ASP 44 H ASP 44 7.454 9.128 -1.332 327 HA ASP 44 HA ASP 44 4.562 8.832 -1.171 328 1HB ASP 44 1HB ASP 44 5.454 9.218 1.176 329 2HB ASP 44 2HB ASP 44 6.013 10.795 0.624 330 HA PRO 45 HA PRO 45 4.299 11.961 -4.362 331 1HB PRO 45 1HB PRO 45 2.540 13.325 -2.359 332 2HB PRO 45 2HB PRO 45 2.294 13.089 -4.093 333 1HG PRO 45 1HG PRO 45 1.065 11.531 -2.323 334 2HG PRO 45 2HG PRO 45 1.694 10.868 -3.845 335 1HD PRO 45 1HD PRO 45 2.709 10.549 -1.080 336 2HD PRO 45 2HD PRO 45 2.878 9.472 -2.478 337 H LYS 46 H LYS 46 4.427 14.347 -4.672 338 HA LYS 46 HA LYS 46 6.950 15.131 -3.548 339 1HB LYS 46 1HB LYS 46 5.740 15.349 -6.013 340 2HB LYS 46 2HB LYS 46 5.610 16.980 -5.386 341 1HG LYS 46 1HG LYS 46 8.198 15.457 -5.514 342 2HG LYS 46 2HG LYS 46 7.624 16.519 -6.799 343 1HD LYS 46 1HD LYS 46 7.571 18.384 -5.174 344 2HD LYS 46 2HD LYS 46 8.244 17.299 -3.952 345 1HE LYS 46 1HE LYS 46 10.233 16.968 -5.311 346 2HE LYS 46 2HE LYS 46 9.554 17.988 -6.580 347 1HZ LYS 46 1HZ LYS 46 10.270 18.860 -3.831 348 2HZ LYS 46 2HZ LYS 46 9.579 19.854 -5.023 349 3HZ LYS 46 3HZ LYS 46 11.132 19.212 -5.247 350 H ARG 47 H ARG 47 3.632 15.955 -3.143 351 HA ARG 47 HA ARG 47 3.882 18.612 -2.266 352 1HB ARG 47 1HB ARG 47 1.726 17.844 -2.912 353 2HB ARG 47 2HB ARG 47 1.778 16.513 -1.766 354 1HG ARG 47 1HG ARG 47 1.025 17.772 -0.080 355 2HG ARG 47 2HG ARG 47 2.026 19.152 -0.532 356 1HD ARG 47 1HD ARG 47 -0.547 18.342 -1.878 357 2HD ARG 47 2HD ARG 47 -0.382 19.635 -0.691 358 HE ARG 47 HE ARG 47 0.188 19.796 -3.467 359 1HH1 ARG 47 1HH1 ARG 47 1.307 20.958 -0.346 360 2HH1 ARG 47 2HH1 ARG 47 2.076 22.367 -1.007 361 1HH2 ARG 47 1HH2 ARG 47 1.146 21.684 -4.318 362 2HH2 ARG 47 2HH2 ARG 47 1.977 22.786 -3.260 363 H THR 48 H THR 48 4.434 15.596 -0.620 364 HA THR 48 HA THR 48 4.186 16.649 2.018 365 HB THR 48 HB THR 48 5.488 14.126 0.996 366 HG1 THR 48 HG1 THR 48 3.549 13.253 1.336 367 1HG2 THR 48 1HG2 THR 48 6.501 14.763 3.143 368 2HG2 THR 48 2HG2 THR 48 5.464 13.345 3.324 369 3HG2 THR 48 3HG2 THR 48 4.894 14.930 3.852 370 HA PRO 49 HA PRO 49 7.736 19.208 2.279 371 1HB PRO 49 1HB PRO 49 8.183 18.664 5.018 372 2HB PRO 49 2HB PRO 49 7.266 20.006 4.332 373 1HG PRO 49 1HG PRO 49 6.306 17.413 5.420 374 2HG PRO 49 2HG PRO 49 5.521 19.002 5.436 375 1HD PRO 49 1HD PRO 49 4.699 17.068 3.784 376 2HD PRO 49 2HD PRO 49 4.725 18.767 3.266 377 H GLU 50 H GLU 50 7.962 16.034 3.901 378 HA GLU 50 HA GLU 50 10.745 15.926 2.969 379 1HB GLU 50 1HB GLU 50 10.675 16.258 5.406 380 2HB GLU 50 2HB GLU 50 9.691 14.813 5.575 381 1HG GLU 50 1HG GLU 50 11.491 13.420 4.850 382 2HG GLU 50 2HG GLU 50 12.471 14.825 4.425 383 H VAL 51 H VAL 51 9.151 13.314 4.686 384 HA VAL 51 HA VAL 51 8.609 11.893 2.199 385 HB VAL 51 HB VAL 51 10.430 10.677 4.295 386 1HG1 VAL 51 1HG1 VAL 51 8.988 9.037 3.249 387 2HG1 VAL 51 2HG1 VAL 51 10.644 8.832 2.678 388 3HG1 VAL 51 3HG1 VAL 51 9.445 9.614 1.647 389 1HG2 VAL 51 1HG2 VAL 51 11.105 11.599 1.497 390 2HG2 VAL 51 2HG2 VAL 51 12.187 10.727 2.582 391 3HG2 VAL 51 3HG2 VAL 51 11.646 12.352 2.997 392 H SER 52 H SER 52 8.956 11.126 5.664 393 HA SER 52 HA SER 52 6.782 9.287 5.515 394 1HB SER 52 1HB SER 52 8.736 8.923 6.979 395 2HB SER 52 2HB SER 52 8.242 10.308 7.952 396 HG SER 52 HG SER 52 6.138 8.736 7.741 397 H ASP 53 H ASP 53 7.219 12.472 6.952 398 HA ASP 53 HA ASP 53 5.831 13.995 7.870 399 1HB ASP 53 1HB ASP 53 4.783 13.820 5.616 400 2HB ASP 53 2HB ASP 53 3.667 12.628 6.273 401 H ASN 54 H ASN 54 3.466 11.346 7.658 402 HA ASN 54 HA ASN 54 3.712 10.876 10.514 403 1HB ASN 54 1HB ASN 54 1.409 11.217 11.046 404 2HB ASN 54 2HB ASN 54 1.954 12.666 10.218 405 1HD2 ASN 54 1HD2 ASN 54 1.250 13.027 8.053 406 2HD2 ASN 54 2HD2 ASN 54 -0.202 12.275 7.471 407 HA PRO 55 HA PRO 55 3.005 6.899 8.553 408 1HB PRO 55 1HB PRO 55 4.748 5.523 10.021 409 2HB PRO 55 2HB PRO 55 5.302 6.715 8.838 410 1HG PRO 55 1HG PRO 55 5.239 6.883 11.800 411 2HG PRO 55 2HG PRO 55 6.334 7.670 10.652 412 1HD PRO 55 1HD PRO 55 4.001 8.776 11.901 413 2HD PRO 55 2HD PRO 55 5.069 9.548 10.711 414 H VAL 56 H VAL 56 2.931 4.571 9.718 415 HA VAL 56 HA VAL 56 2.111 3.097 11.235 416 HB VAL 56 HB VAL 56 1.643 5.513 12.980 417 1HG1 VAL 56 1HG1 VAL 56 0.096 3.740 13.604 418 2HG1 VAL 56 2HG1 VAL 56 1.359 3.915 14.823 419 3HG1 VAL 56 3HG1 VAL 56 1.425 2.584 13.668 420 1HG2 VAL 56 1HG2 VAL 56 3.987 5.093 12.556 421 2HG2 VAL 56 2HG2 VAL 56 3.788 3.393 12.973 422 3HG2 VAL 56 3HG2 VAL 56 3.599 4.631 14.214 423 H MET 57 H MET 57 0.168 5.902 10.459 424 HA MET 57 HA MET 57 -2.286 5.161 11.493 425 1HB MET 57 1HB MET 57 -3.281 6.785 10.060 426 2HB MET 57 2HB MET 57 -1.702 7.388 10.537 427 1HG MET 57 1HG MET 57 -2.421 6.154 7.885 428 2HG MET 57 2HG MET 57 -2.141 7.861 8.211 429 1HE MET 57 1HE MET 57 -0.384 8.177 6.344 430 2HE MET 57 2HE MET 57 -0.668 6.516 5.822 431 3HE MET 57 3HE MET 57 0.979 7.094 6.066 432 H ILE 58 H ILE 58 -0.801 4.065 8.507 433 HA ILE 58 HA ILE 58 -3.046 2.967 7.257 434 HB ILE 58 HB ILE 58 -0.193 1.965 7.181 435 1HG1 ILE 58 1HG1 ILE 58 -0.418 4.288 6.432 436 2HG1 ILE 58 2HG1 ILE 58 -0.047 3.230 5.075 437 1HG2 ILE 58 1HG2 ILE 58 -1.744 0.240 6.443 438 2HG2 ILE 58 2HG2 ILE 58 -0.809 0.866 5.083 439 3HG2 ILE 58 3HG2 ILE 58 -2.483 1.373 5.308 440 1HD1 ILE 58 1HD1 ILE 58 -2.767 4.315 5.769 441 2HD1 ILE 58 2HD1 ILE 58 -2.391 3.266 4.402 442 3HD1 ILE 58 3HD1 ILE 58 -1.713 4.893 4.480 443 H GLY 59 H GLY 59 -0.864 1.596 9.680 444 1HA GLY 59 1HA GLY 59 -1.988 -1.029 9.566 445 2HA GLY 59 2HA GLY 59 -0.896 -0.419 10.803 446 H GLU 60 H GLU 60 -2.736 1.858 11.330 447 HA GLU 60 HA GLU 60 -4.316 0.559 13.341 448 1HB GLU 60 1HB GLU 60 -4.466 3.470 12.587 449 2HB GLU 60 2HB GLU 60 -4.764 2.733 14.154 450 1HG GLU 60 1HG GLU 60 -2.114 3.086 12.782 451 2HG GLU 60 2HG GLU 60 -2.687 3.908 14.231 452 H LEU 61 H LEU 61 -4.820 2.059 10.239 453 HA LEU 61 HA LEU 61 -7.658 2.211 10.343 454 1HB LEU 61 1HB LEU 61 -6.255 3.548 8.820 455 2HB LEU 61 2HB LEU 61 -5.803 2.088 7.965 456 HG LEU 61 HG LEU 61 -8.142 1.779 7.263 457 1HD1 LEU 61 1HD1 LEU 61 -9.223 2.901 9.161 458 2HD1 LEU 61 2HD1 LEU 61 -9.771 3.552 7.616 459 3HD1 LEU 61 3HD1 LEU 61 -8.604 4.451 8.588 460 1HD2 LEU 61 1HD2 LEU 61 -8.211 3.650 5.688 461 2HD2 LEU 61 2HD2 LEU 61 -6.582 2.983 5.828 462 3HD2 LEU 61 3HD2 LEU 61 -6.991 4.495 6.641 463 H LEU 62 H LEU 62 -5.360 -0.214 9.282 464 HA LEU 62 HA LEU 62 -7.153 -1.992 8.055 465 1HB LEU 62 1HB LEU 62 -4.430 -2.165 9.211 466 2HB LEU 62 2HB LEU 62 -5.284 -3.677 8.972 467 HG LEU 62 HG LEU 62 -5.392 -3.359 6.619 468 1HD1 LEU 62 1HD1 LEU 62 -5.960 -0.972 6.604 469 2HD1 LEU 62 2HD1 LEU 62 -4.654 -1.348 5.482 470 3HD1 LEU 62 3HD1 LEU 62 -4.291 -0.580 7.029 471 1HD2 LEU 62 1HD2 LEU 62 -3.032 -3.126 6.009 472 2HD2 LEU 62 2HD2 LEU 62 -3.242 -4.129 7.444 473 3HD2 LEU 62 3HD2 LEU 62 -2.689 -2.462 7.607 474 H ARG 63 H ARG 63 -6.464 -1.357 11.396 475 HA ARG 63 HA ARG 63 -7.519 -3.753 12.492 476 1HB ARG 63 1HB ARG 63 -6.921 -1.032 13.601 477 2HB ARG 63 2HB ARG 63 -7.776 -2.217 14.576 478 1HG ARG 63 1HG ARG 63 -5.904 -3.751 14.390 479 2HG ARG 63 2HG ARG 63 -5.048 -2.604 13.355 480 1HD ARG 63 1HD ARG 63 -4.740 -1.079 15.098 481 2HD ARG 63 2HD ARG 63 -5.998 -1.816 16.087 482 HE ARG 63 HE ARG 63 -4.048 -3.752 15.767 483 1HH1 ARG 63 1HH1 ARG 63 -4.180 -0.501 17.076 484 2HH1 ARG 63 2HH1 ARG 63 -3.015 -0.820 18.324 485 1HH2 ARG 63 1HH2 ARG 63 -2.523 -4.172 17.434 486 2HH2 ARG 63 2HH2 ARG 63 -2.073 -2.894 18.523 487 H GLU 64 H GLU 64 -9.093 -1.227 10.925 488 HA GLU 64 HA GLU 64 -11.454 -1.022 12.475 489 1HB GLU 64 1HB GLU 64 -10.926 -0.487 9.552 490 2HB GLU 64 2HB GLU 64 -12.472 -0.166 10.327 491 1HG GLU 64 1HG GLU 64 -9.847 1.056 11.152 492 2HG GLU 64 2HG GLU 64 -11.054 1.833 10.127 493 H PHE 65 H PHE 65 -10.322 -3.402 10.238 494 HA PHE 65 HA PHE 65 -12.952 -4.722 10.377 495 1HB PHE 65 1HB PHE 65 -10.872 -4.823 8.186 496 2HB PHE 65 2HB PHE 65 -12.236 -5.932 8.278 497 HD1 PHE 65 HD1 PHE 65 -14.464 -5.210 7.747 498 HD2 PHE 65 HD2 PHE 65 -11.216 -2.458 7.673 499 HE1 PHE 65 HE1 PHE 65 -15.871 -3.584 6.551 500 HE2 PHE 65 HE2 PHE 65 -12.620 -0.830 6.478 501 HZ PHE 65 HZ PHE 65 -14.951 -1.391 5.917 502 HA PRO 66 HA PRO 66 -10.227 -7.563 12.673 503 1HB PRO 66 1HB PRO 66 -12.623 -8.285 14.141 504 2HB PRO 66 2HB PRO 66 -11.166 -7.486 14.733 505 1HG PRO 66 1HG PRO 66 -13.587 -6.249 14.544 506 2HG PRO 66 2HG PRO 66 -12.039 -5.392 14.432 507 1HD PRO 66 1HD PRO 66 -13.883 -6.271 12.242 508 2HD PRO 66 2HD PRO 66 -12.976 -4.752 12.410 509 H ASP 67 H ASP 67 -13.164 -7.957 10.912 510 HA ASP 67 HA ASP 67 -13.445 -10.768 11.172 511 1HB ASP 67 1HB ASP 67 -15.306 -9.309 10.455 512 2HB ASP 67 2HB ASP 67 -14.440 -8.961 8.961 513 H TYR 68 H TYR 68 -11.481 -8.752 9.239 514 HA TYR 68 HA TYR 68 -10.306 -11.106 7.957 515 1HB TYR 68 1HB TYR 68 -11.902 -9.945 6.370 516 2HB TYR 68 2HB TYR 68 -10.857 -8.531 6.461 517 HD1 TYR 68 HD1 TYR 68 -11.379 -11.761 4.963 518 HD2 TYR 68 HD2 TYR 68 -8.487 -8.713 5.616 519 HE1 TYR 68 HE1 TYR 68 -9.990 -12.706 3.170 520 HE2 TYR 68 HE2 TYR 68 -7.090 -9.648 3.823 521 HH TYR 68 HH TYR 68 -8.064 -11.593 1.532 522 H THR 69 H THR 69 -8.184 -11.124 8.425 523 HA THR 69 HA THR 69 -6.937 -8.664 9.310 524 HB THR 69 HB THR 69 -6.354 -10.504 10.653 525 HG1 THR 69 HG1 THR 69 -4.297 -9.643 8.925 526 1HG2 THR 69 1HG2 THR 69 -6.868 -12.334 9.110 527 2HG2 THR 69 2HG2 THR 69 -5.269 -12.539 9.824 528 3HG2 THR 69 3HG2 THR 69 -5.427 -11.945 8.171 529 H TRP 70 H TRP 70 -5.558 -7.533 8.260 530 HA TRP 70 HA TRP 70 -5.410 -8.013 5.399 531 1HB TRP 70 1HB TRP 70 -4.730 -5.604 7.085 532 2HB TRP 70 2HB TRP 70 -4.518 -5.665 5.338 533 HD1 TRP 70 HD1 TRP 70 -7.370 -5.905 7.954 534 HE1 TRP 70 HE1 TRP 70 -9.536 -5.077 6.842 535 HE3 TRP 70 HE3 TRP 70 -5.611 -5.163 3.212 536 HZ2 TRP 70 HZ2 TRP 70 -10.384 -4.213 4.291 537 HZ3 TRP 70 HZ3 TRP 70 -7.162 -4.333 1.497 538 HH2 TRP 70 HH2 TRP 70 -9.502 -3.869 2.025 539 H GLN 71 H GLN 71 -3.634 -8.477 4.281 540 HA GLN 71 HA GLN 71 -1.145 -8.906 5.755 541 1HB GLN 71 1HB GLN 71 -2.181 -10.662 4.220 542 2HB GLN 71 2HB GLN 71 -1.738 -9.613 2.881 543 1HG GLN 71 1HG GLN 71 0.001 -11.128 2.967 544 2HG GLN 71 2HG GLN 71 0.639 -9.739 3.843 545 1HE2 GLN 71 1HE2 GLN 71 1.319 -12.603 3.955 546 2HE2 GLN 71 2HE2 GLN 71 1.137 -13.073 5.609 547 H VAL 72 H VAL 72 0.416 -7.412 5.651 548 HA VAL 72 HA VAL 72 0.235 -5.376 3.552 549 HB VAL 72 HB VAL 72 1.969 -5.333 6.026 550 1HG1 VAL 72 1HG1 VAL 72 1.211 -3.184 4.043 551 2HG1 VAL 72 2HG1 VAL 72 2.808 -3.902 4.261 552 3HG1 VAL 72 3HG1 VAL 72 2.107 -2.908 5.538 553 1HG2 VAL 72 1HG2 VAL 72 -0.402 -5.382 6.632 554 2HG2 VAL 72 2HG2 VAL 72 -0.706 -4.014 5.560 555 3HG2 VAL 72 3HG2 VAL 72 0.318 -3.810 6.981 556 H ALA 73 H ALA 73 1.359 -5.806 1.806 557 HA ALA 73 HA ALA 73 3.962 -7.151 2.091 558 1HB ALA 73 1HB ALA 73 3.682 -7.918 -0.202 559 2HB ALA 73 2HB ALA 73 2.134 -7.078 -0.307 560 3HB ALA 73 3HB ALA 73 2.329 -8.435 0.804 561 H ILE 74 H ILE 74 5.714 -6.034 1.565 562 HA ILE 74 HA ILE 74 5.392 -3.616 -0.091 563 HB ILE 74 HB ILE 74 7.331 -2.675 1.284 564 1HG1 ILE 74 1HG1 ILE 74 6.412 -4.896 3.133 565 2HG1 ILE 74 2HG1 ILE 74 8.023 -4.681 2.456 566 1HG2 ILE 74 1HG2 ILE 74 4.634 -3.035 2.588 567 2HG2 ILE 74 2HG2 ILE 74 5.057 -1.810 1.392 568 3HG2 ILE 74 3HG2 ILE 74 5.811 -1.782 2.986 569 1HD1 ILE 74 1HD1 ILE 74 8.318 -2.657 3.765 570 2HD1 ILE 74 2HD1 ILE 74 7.925 -4.029 4.800 571 3HD1 ILE 74 3HD1 ILE 74 6.688 -2.832 4.416 572 H ALA 75 H ALA 75 7.001 -3.208 -1.583 573 HA ALA 75 HA ALA 75 9.051 -5.301 -1.855 574 1HB ALA 75 1HB ALA 75 7.197 -5.775 -3.378 575 2HB ALA 75 2HB ALA 75 8.654 -5.338 -4.267 576 3HB ALA 75 3HB ALA 75 7.352 -4.164 -4.075 577 H ASP 76 H ASP 76 10.807 -4.674 -3.378 578 HA ASP 76 HA ASP 76 11.894 -2.132 -2.779 579 1HB ASP 76 1HB ASP 76 12.601 -4.180 -4.887 580 2HB ASP 76 2HB ASP 76 13.514 -2.694 -4.659 581 H LEU 77 H LEU 77 12.539 -0.532 -4.450 582 HA LEU 77 HA LEU 77 10.390 0.589 -5.806 583 1HB LEU 77 1HB LEU 77 13.339 0.894 -6.395 584 2HB LEU 77 2HB LEU 77 12.080 1.955 -6.996 585 HG LEU 77 HG LEU 77 12.736 1.571 -4.074 586 1HD1 LEU 77 1HD1 LEU 77 14.579 2.636 -5.268 587 2HD1 LEU 77 2HD1 LEU 77 13.759 3.780 -4.207 588 3HD1 LEU 77 3HD1 LEU 77 13.462 3.820 -5.943 589 1HD2 LEU 77 1HD2 LEU 77 10.969 3.561 -5.494 590 2HD2 LEU 77 2HD2 LEU 77 11.344 3.563 -3.770 591 3HD2 LEU 77 3HD2 LEU 77 10.425 2.228 -4.470 592 H GLU 78 H GLU 78 13.040 -1.387 -7.077 593 HA GLU 78 HA GLU 78 12.297 -1.324 -9.783 594 1HB GLU 78 1HB GLU 78 13.762 -3.533 -8.337 595 2HB GLU 78 2HB GLU 78 13.811 -3.198 -10.060 596 1HG GLU 78 1HG GLU 78 14.962 -1.127 -9.675 597 2HG GLU 78 2HG GLU 78 14.802 -1.320 -7.930 598 H GLN 79 H GLN 79 11.301 -3.344 -7.124 599 HA GLN 79 HA GLN 79 10.045 -5.341 -8.752 600 1HB GLN 79 1HB GLN 79 9.731 -4.807 -5.793 601 2HB GLN 79 2HB GLN 79 9.301 -6.287 -6.642 602 1HG GLN 79 1HG GLN 79 11.628 -6.699 -7.163 603 2HG GLN 79 2HG GLN 79 12.088 -5.179 -6.401 604 1HE2 GLN 79 1HE2 GLN 79 12.924 -7.895 -5.806 605 2HE2 GLN 79 2HE2 GLN 79 12.525 -8.163 -4.144 606 H SER 80 H SER 80 8.871 -2.784 -6.580 607 HA SER 80 HA SER 80 6.140 -3.233 -6.975 608 1HB SER 80 1HB SER 80 7.505 -0.628 -6.263 609 2HB SER 80 2HB SER 80 5.818 -1.048 -5.952 610 HG SER 80 HG SER 80 8.123 -1.829 -4.630 611 H GLU 81 H GLU 81 8.409 -1.136 -8.674 612 HA GLU 81 HA GLU 81 6.583 0.237 -10.291 613 1HB GLU 81 1HB GLU 81 9.076 0.673 -9.933 614 2HB GLU 81 2HB GLU 81 9.360 -0.554 -11.153 615 1HG GLU 81 1HG GLU 81 8.185 0.737 -12.803 616 2HG GLU 81 2HG GLU 81 7.726 1.934 -11.591 617 H ALA 82 H ALA 82 8.250 -2.831 -10.727 618 HA ALA 82 HA ALA 82 7.300 -3.311 -13.370 619 1HB ALA 82 1HB ALA 82 9.306 -4.384 -12.469 620 2HB ALA 82 2HB ALA 82 8.141 -5.576 -13.044 621 3HB ALA 82 3HB ALA 82 8.314 -5.274 -11.315 622 H ILE 83 H ILE 83 6.150 -4.192 -10.150 623 HA ILE 83 HA ILE 83 4.101 -5.954 -10.927 624 HB ILE 83 HB ILE 83 4.209 -4.144 -8.504 625 1HG1 ILE 83 1HG1 ILE 83 4.941 -7.067 -8.806 626 2HG1 ILE 83 2HG1 ILE 83 6.104 -5.751 -8.750 627 1HG2 ILE 83 1HG2 ILE 83 1.932 -4.909 -8.940 628 2HG2 ILE 83 2HG2 ILE 83 2.593 -5.703 -7.510 629 3HG2 ILE 83 3HG2 ILE 83 2.499 -6.576 -9.039 630 1HD1 ILE 83 1HD1 ILE 83 4.206 -6.508 -6.544 631 2HD1 ILE 83 2HD1 ILE 83 5.395 -5.208 -6.487 632 3HD1 ILE 83 3HD1 ILE 83 5.927 -6.885 -6.610 633 H GLY 84 H GLY 84 4.088 -2.439 -10.432 634 1HA GLY 84 1HA GLY 84 1.323 -2.101 -11.075 635 2HA GLY 84 2HA GLY 84 2.538 -0.832 -11.033 636 H ASP 85 H ASP 85 4.293 -2.039 -12.927 637 HA ASP 85 HA ASP 85 3.433 -0.932 -15.322 638 1HB ASP 85 1HB ASP 85 5.779 -1.503 -14.711 639 2HB ASP 85 2HB ASP 85 5.409 -3.197 -14.993 640 H ARG 86 H ARG 86 3.118 -4.220 -14.128 641 HA ARG 86 HA ARG 86 2.259 -5.626 -16.308 642 1HB ARG 86 1HB ARG 86 1.201 -5.728 -13.491 643 2HB ARG 86 2HB ARG 86 0.952 -6.951 -14.701 644 1HG ARG 86 1HG ARG 86 3.297 -7.498 -14.704 645 2HG ARG 86 2HG ARG 86 3.617 -6.178 -13.566 646 1HD ARG 86 1HD ARG 86 2.215 -7.224 -11.903 647 2HD ARG 86 2HD ARG 86 1.755 -8.488 -13.037 648 HE ARG 86 HE ARG 86 4.538 -8.538 -12.762 649 1HH1 ARG 86 1HH1 ARG 86 1.655 -9.120 -10.860 650 2HH1 ARG 86 2HH1 ARG 86 2.398 -10.314 -9.852 651 1HH2 ARG 86 1HH2 ARG 86 5.535 -10.102 -11.405 652 2HH2 ARG 86 2HH2 ARG 86 4.593 -10.875 -10.160 653 H PHE 87 H PHE 87 0.296 -3.704 -14.088 654 HA PHE 87 HA PHE 87 -2.128 -4.496 -15.516 655 1HB PHE 87 1HB PHE 87 -1.769 -4.650 -12.972 656 2HB PHE 87 2HB PHE 87 -1.966 -2.903 -12.961 657 HD1 PHE 87 HD1 PHE 87 -4.117 -1.906 -13.166 658 HD2 PHE 87 HD2 PHE 87 -3.642 -6.112 -13.604 659 HE1 PHE 87 HE1 PHE 87 -6.554 -2.202 -12.962 660 HE2 PHE 87 HE2 PHE 87 -6.074 -6.415 -13.409 661 HZ PHE 87 HZ PHE 87 -7.535 -4.465 -13.078 662 H GLY 88 H GLY 88 -0.024 -1.830 -15.192 663 1HA GLY 88 1HA GLY 88 -0.134 0.178 -16.409 664 2HA GLY 88 2HA GLY 88 -1.836 -0.139 -16.736 665 H VAL 89 H VAL 89 -0.199 -0.213 -13.636 666 HA VAL 89 HA VAL 89 -2.182 1.557 -12.494 667 HB VAL 89 HB VAL 89 0.266 0.395 -11.141 668 1HG1 VAL 89 1HG1 VAL 89 -2.365 1.367 -10.026 669 2HG1 VAL 89 2HG1 VAL 89 -0.808 2.184 -9.887 670 3HG1 VAL 89 3HG1 VAL 89 -1.063 0.630 -9.093 671 1HG2 VAL 89 1HG2 VAL 89 -1.049 -1.404 -12.165 672 2HG2 VAL 89 2HG2 VAL 89 -2.494 -0.812 -11.347 673 3HG2 VAL 89 3HG2 VAL 89 -1.148 -1.456 -10.405 674 H PHE 90 H PHE 90 -1.515 3.455 -11.200 675 HA PHE 90 HA PHE 90 -0.003 5.280 -12.689 676 1HB PHE 90 1HB PHE 90 -0.717 5.447 -9.752 677 2HB PHE 90 2HB PHE 90 -0.265 6.793 -10.792 678 HD1 PHE 90 HD1 PHE 90 -1.792 7.443 -12.670 679 HD2 PHE 90 HD2 PHE 90 -2.929 4.673 -9.650 680 HE1 PHE 90 HE1 PHE 90 -4.161 7.785 -13.253 681 HE2 PHE 90 HE2 PHE 90 -5.295 5.007 -10.225 682 HZ PHE 90 HZ PHE 90 -5.914 6.565 -12.028 683 H ARG 91 H ARG 91 2.058 6.018 -12.547 684 HA ARG 91 HA ARG 91 3.953 4.228 -11.288 685 1HB ARG 91 1HB ARG 91 5.646 5.458 -12.505 686 2HB ARG 91 2HB ARG 91 4.308 5.101 -13.587 687 1HG ARG 91 1HG ARG 91 3.485 7.374 -13.369 688 2HG ARG 91 2HG ARG 91 4.761 7.745 -12.209 689 1HD ARG 91 1HD ARG 91 5.153 6.966 -15.099 690 2HD ARG 91 2HD ARG 91 5.317 8.589 -14.432 691 HE ARG 91 HE ARG 91 7.021 6.626 -13.173 692 1HH1 ARG 91 1HH1 ARG 91 6.707 8.994 -15.742 693 2HH1 ARG 91 2HH1 ARG 91 8.422 9.107 -16.012 694 1HH2 ARG 91 1HH2 ARG 91 9.279 6.772 -13.532 695 2HH2 ARG 91 2HH2 ARG 91 9.878 7.846 -14.762 696 H PHE 92 H PHE 92 2.188 6.469 -9.957 697 HA PHE 92 HA PHE 92 4.255 8.026 -8.632 698 1HB PHE 92 1HB PHE 92 1.243 8.107 -8.325 699 2HB PHE 92 2HB PHE 92 2.379 9.246 -7.610 700 HD1 PHE 92 HD1 PHE 92 3.738 10.716 -9.132 701 HD2 PHE 92 HD2 PHE 92 0.455 8.383 -10.515 702 HE1 PHE 92 HE1 PHE 92 3.590 12.118 -11.148 703 HE2 PHE 92 HE2 PHE 92 0.308 9.778 -12.534 704 HZ PHE 92 HZ PHE 92 1.879 11.651 -12.855 705 HA PRO 93 HA PRO 93 4.543 5.412 -5.033 706 1HB PRO 93 1HB PRO 93 4.769 7.983 -3.564 707 2HB PRO 93 2HB PRO 93 5.855 6.590 -3.573 708 1HG PRO 93 1HG PRO 93 6.488 8.828 -4.856 709 2HG PRO 93 2HG PRO 93 6.893 7.242 -5.533 710 1HD PRO 93 1HD PRO 93 4.710 9.135 -6.299 711 2HD PRO 93 2HD PRO 93 5.709 8.086 -7.328 712 H ALA 94 H ALA 94 2.953 4.545 -3.964 713 HA ALA 94 HA ALA 94 0.994 5.995 -2.496 714 1HB ALA 94 1HB ALA 94 0.074 4.673 -5.053 715 2HB ALA 94 2HB ALA 94 0.140 6.410 -4.760 716 3HB ALA 94 3HB ALA 94 -0.966 5.401 -3.827 717 H THR 95 H THR 95 -0.957 4.311 -2.108 718 HA THR 95 HA THR 95 0.294 1.710 -1.502 719 HB THR 95 HB THR 95 -1.968 3.049 0.002 720 HG1 THR 95 HG1 THR 95 0.605 3.616 0.076 721 1HG2 THR 95 1HG2 THR 95 -0.287 0.632 0.686 722 2HG2 THR 95 2HG2 THR 95 -1.960 0.587 0.129 723 3HG2 THR 95 3HG2 THR 95 -1.566 1.325 1.684 724 H LEU 96 H LEU 96 -0.539 0.070 -2.627 725 HA LEU 96 HA LEU 96 -3.104 0.429 -3.971 726 1HB LEU 96 1HB LEU 96 -0.978 -1.701 -4.261 727 2HB LEU 96 2HB LEU 96 -2.473 -1.670 -5.170 728 HG LEU 96 HG LEU 96 -1.698 0.621 -6.032 729 1HD1 LEU 96 1HD1 LEU 96 0.708 0.985 -6.066 730 2HD1 LEU 96 2HD1 LEU 96 0.948 -0.430 -5.044 731 3HD1 LEU 96 3HD1 LEU 96 0.096 0.978 -4.412 732 1HD2 LEU 96 1HD2 LEU 96 -1.788 -1.395 -7.396 733 2HD2 LEU 96 2HD2 LEU 96 -0.192 -1.871 -6.813 734 3HD2 LEU 96 3HD2 LEU 96 -0.375 -0.419 -7.799 735 H VAL 97 H VAL 97 -4.849 -0.248 -2.971 736 HA VAL 97 HA VAL 97 -4.598 -2.352 -0.957 737 HB VAL 97 HB VAL 97 -5.734 -0.330 -0.203 738 1HG1 VAL 97 1HG1 VAL 97 -7.739 -0.877 -2.382 739 2HG1 VAL 97 2HG1 VAL 97 -6.598 0.469 -2.325 740 3HG1 VAL 97 3HG1 VAL 97 -7.888 0.357 -1.128 741 1HG2 VAL 97 1HG2 VAL 97 -7.801 -1.320 0.654 742 2HG2 VAL 97 2HG2 VAL 97 -6.454 -2.455 0.751 743 3HG2 VAL 97 3HG2 VAL 97 -7.661 -2.624 -0.520 744 H PHE 98 H PHE 98 -5.616 -4.294 -1.109 745 HA PHE 98 HA PHE 98 -7.172 -4.830 -3.555 746 1HB PHE 98 1HB PHE 98 -5.206 -6.704 -2.202 747 2HB PHE 98 2HB PHE 98 -6.171 -7.072 -3.627 748 HD1 PHE 98 HD1 PHE 98 -5.721 -5.860 -5.759 749 HD2 PHE 98 HD2 PHE 98 -3.165 -5.539 -2.377 750 HE1 PHE 98 HE1 PHE 98 -3.923 -5.010 -7.207 751 HE2 PHE 98 HE2 PHE 98 -1.357 -4.689 -3.817 752 HZ PHE 98 HZ PHE 98 -1.737 -4.426 -6.236 753 H THR 99 H THR 99 -8.932 -6.190 -3.306 754 HA THR 99 HA THR 99 -9.388 -7.557 -0.803 755 HB THR 99 HB THR 99 -11.562 -5.669 -1.656 756 HG1 THR 99 HG1 THR 99 -9.219 -5.100 -0.232 757 1HG2 THR 99 1HG2 THR 99 -10.868 -7.005 0.961 758 2HG2 THR 99 2HG2 THR 99 -12.161 -7.475 -0.139 759 3HG2 THR 99 3HG2 THR 99 -12.240 -5.929 0.705 760 H GLY 100 H GLY 100 -11.096 -9.082 -0.975 761 1HA GLY 100 1HA GLY 100 -12.290 -10.701 -2.082 762 2HA GLY 100 2HA GLY 100 -12.638 -9.488 -3.309 763 H GLY 101 H GLY 101 -9.347 -10.168 -2.528 764 1HA GLY 101 1HA GLY 101 -7.670 -11.251 -3.671 765 2HA GLY 101 2HA GLY 101 -8.902 -12.212 -4.476 766 H ASN 102 H ASN 102 -9.309 -8.818 -4.743 767 HA ASN 102 HA ASN 102 -8.047 -8.818 -7.391 768 1HB ASN 102 1HB ASN 102 -10.911 -8.200 -6.757 769 2HB ASN 102 2HB ASN 102 -10.124 -7.478 -8.152 770 1HD2 ASN 102 1HD2 ASN 102 -11.300 -10.401 -6.720 771 2HD2 ASN 102 2HD2 ASN 102 -11.232 -11.371 -8.149 772 H TYR 103 H TYR 103 -8.341 -6.533 -8.372 773 HA TYR 103 HA TYR 103 -6.826 -4.755 -6.759 774 1HB TYR 103 1HB TYR 103 -6.744 -4.997 -9.273 775 2HB TYR 103 2HB TYR 103 -8.286 -4.157 -9.341 776 HD1 TYR 103 HD1 TYR 103 -5.069 -3.560 -7.510 777 HD2 TYR 103 HD2 TYR 103 -8.042 -2.015 -10.136 778 HE1 TYR 103 HE1 TYR 103 -3.859 -1.422 -7.618 779 HE2 TYR 103 HE2 TYR 103 -6.839 0.126 -10.245 780 HH TYR 103 HH TYR 103 -3.654 0.490 -9.079 781 H ARG 104 H ARG 104 -7.598 -3.407 -5.223 782 HA ARG 104 HA ARG 104 -10.488 -2.959 -5.182 783 1HB ARG 104 1HB ARG 104 -9.386 -3.982 -3.202 784 2HB ARG 104 2HB ARG 104 -8.481 -2.494 -2.975 785 1HG ARG 104 1HG ARG 104 -10.326 -2.524 -1.458 786 2HG ARG 104 2HG ARG 104 -10.623 -1.287 -2.680 787 1HD ARG 104 1HD ARG 104 -11.766 -4.077 -2.765 788 2HD ARG 104 2HD ARG 104 -12.617 -2.674 -2.121 789 HE ARG 104 HE ARG 104 -11.937 -1.881 -4.614 790 1HH1 ARG 104 1HH1 ARG 104 -13.623 -4.681 -3.352 791 2HH1 ARG 104 2HH1 ARG 104 -14.529 -4.936 -4.813 792 1HH2 ARG 104 1HH2 ARG 104 -13.136 -2.222 -6.529 793 2HH2 ARG 104 2HH2 ARG 104 -14.270 -3.538 -6.609 794 H GLY 105 H GLY 105 -7.456 -1.107 -4.782 795 1HA GLY 105 1HA GLY 105 -8.247 1.090 -6.258 796 2HA GLY 105 2HA GLY 105 -8.809 1.403 -4.624 797 H VAL 106 H VAL 106 -7.297 3.272 -4.931 798 HA VAL 106 HA VAL 106 -4.571 2.515 -4.138 799 HB VAL 106 HB VAL 106 -5.242 4.727 -6.094 800 1HG1 VAL 106 1HG1 VAL 106 -3.332 5.285 -4.722 801 2HG1 VAL 106 2HG1 VAL 106 -2.806 4.915 -6.366 802 3HG1 VAL 106 3HG1 VAL 106 -2.586 3.726 -5.079 803 1HG2 VAL 106 1HG2 VAL 106 -4.076 3.363 -7.759 804 2HG2 VAL 106 2HG2 VAL 106 -5.502 2.543 -7.125 805 3HG2 VAL 106 3HG2 VAL 106 -3.896 2.072 -6.573 806 H LEU 107 H LEU 107 -3.810 3.600 -2.428 807 HA LEU 107 HA LEU 107 -5.238 6.021 -1.543 808 1HB LEU 107 1HB LEU 107 -3.405 4.183 0.014 809 2HB LEU 107 2HB LEU 107 -4.216 5.596 0.660 810 HG LEU 107 HG LEU 107 -5.605 3.124 -0.377 811 1HD1 LEU 107 1HD1 LEU 107 -4.407 2.680 1.693 812 2HD1 LEU 107 2HD1 LEU 107 -6.148 2.710 1.972 813 3HD1 LEU 107 3HD1 LEU 107 -5.158 4.088 2.441 814 1HD2 LEU 107 1HD2 LEU 107 -7.616 4.120 0.584 815 2HD2 LEU 107 2HD2 LEU 107 -6.930 5.153 -0.672 816 3HD2 LEU 107 3HD2 LEU 107 -6.694 5.556 1.030 817 H ASN 108 H ASN 108 -4.137 7.939 -1.457 818 HA ASN 108 HA ASN 108 -1.709 8.038 -3.000 819 1HB ASN 108 1HB ASN 108 -3.369 10.221 -1.741 820 2HB ASN 108 2HB ASN 108 -1.957 10.516 -2.748 821 1HD2 ASN 108 1HD2 ASN 108 -2.044 9.950 -4.951 822 2HD2 ASN 108 2HD2 ASN 108 -3.563 9.827 -5.771 823 H GLY 109 H GLY 109 -1.357 6.828 -0.368 824 1HA GLY 109 1HA GLY 109 0.212 6.851 1.314 825 2HA GLY 109 2HA GLY 109 1.040 8.107 0.400 826 H ILE 110 H ILE 110 1.355 9.891 1.552 827 HA ILE 110 HA ILE 110 -0.167 10.499 3.880 828 HB ILE 110 HB ILE 110 1.746 12.239 2.320 829 1HG1 ILE 110 1HG1 ILE 110 2.821 10.282 3.280 830 2HG1 ILE 110 2HG1 ILE 110 3.288 11.710 4.195 831 1HG2 ILE 110 1HG2 ILE 110 1.809 13.668 4.309 832 2HG2 ILE 110 2HG2 ILE 110 0.555 12.681 5.058 833 3HG2 ILE 110 3HG2 ILE 110 0.193 13.612 3.605 834 1HD1 ILE 110 1HD1 ILE 110 1.216 9.686 5.007 835 2HD1 ILE 110 2HD1 ILE 110 1.661 11.125 5.922 836 3HD1 ILE 110 3HD1 ILE 110 2.843 9.841 5.668 837 H HIS 111 H HIS 111 -2.224 10.817 3.615 838 HA HIS 111 HA HIS 111 -3.143 13.013 1.899 839 1HB HIS 111 1HB HIS 111 -3.416 10.609 0.921 840 2HB HIS 111 2HB HIS 111 -4.657 10.413 2.150 841 HD1 HIS 111 HD1 HIS 111 -3.935 12.125 -1.075 842 HD2 HIS 111 HD2 HIS 111 -7.053 11.804 1.652 843 HE1 HIS 111 HE1 HIS 111 -5.958 13.017 -2.261 844 HE2 HIS 111 HE2 HIS 111 -7.796 12.979 -0.539 845 HA PRO 112 HA PRO 112 -5.217 14.533 5.546 846 1HB PRO 112 1HB PRO 112 -7.778 14.573 4.202 847 2HB PRO 112 2HB PRO 112 -6.758 15.932 4.669 848 1HG PRO 112 1HG PRO 112 -7.020 14.611 2.066 849 2HG PRO 112 2HG PRO 112 -6.360 16.207 2.451 850 1HD PRO 112 1HD PRO 112 -4.807 14.148 1.637 851 2HD PRO 112 2HD PRO 112 -4.226 15.379 2.781 852 H TRP 113 H TRP 113 -5.828 13.353 7.219 853 HA TRP 113 HA TRP 113 -6.311 10.637 7.042 854 1HB TRP 113 1HB TRP 113 -5.409 11.755 9.033 855 2HB TRP 113 2HB TRP 113 -6.980 12.481 9.335 856 HD1 TRP 113 HD1 TRP 113 -7.683 11.349 11.533 857 HE1 TRP 113 HE1 TRP 113 -8.060 8.923 12.306 858 HE3 TRP 113 HE3 TRP 113 -5.822 8.914 7.444 859 HZ2 TRP 113 HZ2 TRP 113 -7.636 6.318 11.294 860 HZ3 TRP 113 HZ3 TRP 113 -5.852 6.456 7.418 861 HH2 TRP 113 HH2 TRP 113 -6.747 5.186 9.302 862 H ALA 114 H ALA 114 -8.686 13.244 7.544 863 HA ALA 114 HA ALA 114 -10.957 11.635 7.839 864 1HB ALA 114 1HB ALA 114 -10.977 14.046 8.245 865 2HB ALA 114 2HB ALA 114 -12.248 13.578 7.115 866 3HB ALA 114 3HB ALA 114 -10.774 14.343 6.518 867 H GLU 115 H GLU 115 -9.443 12.916 4.905 868 HA GLU 115 HA GLU 115 -11.341 11.772 3.120 869 1HB GLU 115 1HB GLU 115 -8.615 12.988 2.781 870 2HB GLU 115 2HB GLU 115 -9.471 12.266 1.428 871 1HG GLU 115 1HG GLU 115 -10.657 14.430 3.134 872 2HG GLU 115 2HG GLU 115 -9.706 14.754 1.685 873 H LEU 116 H LEU 116 -8.387 10.664 4.587 874 HA LEU 116 HA LEU 116 -7.852 8.517 2.822 875 1HB LEU 116 1HB LEU 116 -6.439 9.634 4.762 876 2HB LEU 116 2HB LEU 116 -7.162 8.365 5.728 877 HG LEU 116 HG LEU 116 -4.901 7.788 4.905 878 1HD1 LEU 116 1HD1 LEU 116 -7.103 6.075 3.774 879 2HD1 LEU 116 2HD1 LEU 116 -6.457 5.994 5.411 880 3HD1 LEU 116 3HD1 LEU 116 -5.436 5.567 4.040 881 1HD2 LEU 116 1HD2 LEU 116 -4.935 8.967 2.795 882 2HD2 LEU 116 2HD2 LEU 116 -6.210 7.907 2.194 883 3HD2 LEU 116 3HD2 LEU 116 -4.605 7.256 2.525 884 H ILE 117 H ILE 117 -9.548 8.671 5.956 885 HA ILE 117 HA ILE 117 -10.430 5.996 5.984 886 HB ILE 117 HB ILE 117 -11.859 8.386 7.171 887 1HG1 ILE 117 1HG1 ILE 117 -9.790 6.573 8.436 888 2HG1 ILE 117 2HG1 ILE 117 -9.486 8.221 7.892 889 1HG2 ILE 117 1HG2 ILE 117 -11.953 5.460 7.905 890 2HG2 ILE 117 2HG2 ILE 117 -13.221 6.357 7.068 891 3HG2 ILE 117 3HG2 ILE 117 -12.805 6.764 8.734 892 1HD1 ILE 117 1HD1 ILE 117 -11.141 9.034 9.513 893 2HD1 ILE 117 2HD1 ILE 117 -9.811 8.168 10.280 894 3HD1 ILE 117 3HD1 ILE 117 -11.376 7.379 10.079 895 H ASN 118 H ASN 118 -11.834 8.962 4.717 896 HA ASN 118 HA ASN 118 -14.337 8.145 3.887 897 1HB ASN 118 1HB ASN 118 -13.472 10.460 3.795 898 2HB ASN 118 2HB ASN 118 -12.441 10.014 2.454 899 1HD2 ASN 118 1HD2 ASN 118 -13.467 11.708 1.286 900 2HD2 ASN 118 2HD2 ASN 118 -15.017 11.442 0.553 901 H LEU 119 H LEU 119 -11.430 8.287 1.879 902 HA LEU 119 HA LEU 119 -12.506 6.931 -0.329 903 1HB LEU 119 1HB LEU 119 -9.627 7.158 0.543 904 2HB LEU 119 2HB LEU 119 -10.163 6.640 -1.042 905 HG LEU 119 HG LEU 119 -10.594 9.373 0.158 906 1HD1 LEU 119 1HD1 LEU 119 -9.029 10.129 -1.551 907 2HD1 LEU 119 2HD1 LEU 119 -8.809 8.468 -2.098 908 3HD1 LEU 119 3HD1 LEU 119 -8.272 8.942 -0.487 909 1HD2 LEU 119 1HD2 LEU 119 -12.443 8.712 -1.294 910 2HD2 LEU 119 2HD2 LEU 119 -11.299 8.310 -2.576 911 3HD2 LEU 119 3HD2 LEU 119 -11.469 9.981 -2.039 912 H MET 120 H MET 120 -10.610 5.732 2.417 913 HA MET 120 HA MET 120 -10.203 3.110 1.583 914 1HB MET 120 1HB MET 120 -9.257 4.241 3.637 915 2HB MET 120 2HB MET 120 -10.797 3.930 4.428 916 1HG MET 120 1HG MET 120 -9.195 2.249 5.048 917 2HG MET 120 2HG MET 120 -10.470 1.525 4.069 918 1HE MET 120 1HE MET 120 -7.183 -0.480 3.156 919 2HE MET 120 2HE MET 120 -8.805 -0.587 3.841 920 3HE MET 120 3HE MET 120 -7.533 0.265 4.717 921 H ARG 121 H ARG 121 -12.903 4.465 3.442 922 HA ARG 121 HA ARG 121 -14.344 2.063 3.755 923 1HB ARG 121 1HB ARG 121 -14.686 4.136 5.083 924 2HB ARG 121 2HB ARG 121 -15.381 4.905 3.672 925 1HG ARG 121 1HG ARG 121 -16.578 2.393 4.783 926 2HG ARG 121 2HG ARG 121 -16.945 3.964 5.496 927 1HD ARG 121 1HD ARG 121 -17.640 4.732 3.213 928 2HD ARG 121 2HD ARG 121 -17.457 3.070 2.661 929 HE ARG 121 HE ARG 121 -19.355 3.866 4.782 930 1HH1 ARG 121 1HH1 ARG 121 -18.518 1.969 1.950 931 2HH1 ARG 121 2HH1 ARG 121 -20.091 1.246 1.813 932 1HH2 ARG 121 1HH2 ARG 121 -21.444 2.950 4.566 933 2HH2 ARG 121 2HH2 ARG 121 -21.748 1.800 3.299 934 H GLY 122 H GLY 122 -14.367 4.534 1.251 935 1HA GLY 122 1HA GLY 122 -16.626 3.553 -0.159 936 2HA GLY 122 2HA GLY 122 -15.388 4.618 -0.807 937 H LEU 123 H LEU 123 -13.248 2.695 -0.187 938 HA LEU 123 HA LEU 123 -13.494 1.178 -2.639 939 1HB LEU 123 1HB LEU 123 -11.188 1.508 -0.720 940 2HB LEU 123 2HB LEU 123 -11.109 0.621 -2.227 941 HG LEU 123 HG LEU 123 -11.661 3.578 -1.977 942 1HD1 LEU 123 1HD1 LEU 123 -9.435 3.827 -2.988 943 2HD1 LEU 123 2HD1 LEU 123 -9.199 2.084 -2.863 944 3HD1 LEU 123 3HD1 LEU 123 -9.367 3.058 -1.404 945 1HD2 LEU 123 1HD2 LEU 123 -11.218 1.863 -4.420 946 2HD2 LEU 123 2HD2 LEU 123 -11.427 3.615 -4.404 947 3HD2 LEU 123 3HD2 LEU 123 -12.759 2.563 -3.918 948 H VAL 124 H VAL 124 -12.553 0.381 0.733 949 HA VAL 124 HA VAL 124 -12.396 -2.389 0.204 950 HB VAL 124 HB VAL 124 -12.236 -2.738 2.609 951 1HG1 VAL 124 1HG1 VAL 124 -10.265 -1.995 1.405 952 2HG1 VAL 124 2HG1 VAL 124 -10.279 -1.330 3.039 953 3HG1 VAL 124 3HG1 VAL 124 -10.719 -0.312 1.667 954 1HG2 VAL 124 1HG2 VAL 124 -12.963 0.184 2.860 955 2HG2 VAL 124 2HG2 VAL 124 -12.390 -0.840 4.176 956 3HG2 VAL 124 3HG2 VAL 124 -13.934 -1.187 3.398 957 H GLU 125 H GLU 125 -15.022 -0.376 1.415 958 HA GLU 125 HA GLU 125 -16.770 -2.724 1.137 959 1HB GLU 125 1HB GLU 125 -16.811 -1.469 3.343 960 2HB GLU 125 2HB GLU 125 -17.502 -0.110 2.464 961 1HG GLU 125 1HG GLU 125 -19.435 -1.376 1.882 962 2HG GLU 125 2HG GLU 125 -18.717 -2.856 2.513 963 HA PRO 126 HA PRO 126 -16.925 -0.575 -2.804 964 1HB PRO 126 1HB PRO 126 -18.606 -2.927 -3.487 965 2HB PRO 126 2HB PRO 126 -17.192 -2.266 -4.317 966 1HG PRO 126 1HG PRO 126 -16.984 -4.491 -2.892 967 2HG PRO 126 2HG PRO 126 -15.702 -3.265 -2.840 968 1HD PRO 126 1HD PRO 126 -17.866 -3.825 -0.847 969 2HD PRO 126 2HD PRO 126 -16.148 -3.457 -0.569 970 H GLN 127 H GLN 127 -18.194 1.152 -2.774 971 HA GLN 127 HA GLN 127 -21.037 0.986 -2.503 972 1HB GLN 127 1HB GLN 127 -19.210 3.225 -3.370 973 2HB GLN 127 2HB GLN 127 -20.935 3.390 -3.125 974 1HG GLN 127 1HG GLN 127 -20.664 2.783 -0.774 975 2HG GLN 127 2HG GLN 127 -18.924 2.645 -1.024 976 1HE2 GLN 127 1HE2 GLN 127 -17.713 4.512 -1.362 977 2HE2 GLN 127 2HE2 GLN 127 -18.309 6.079 -0.936 978 H GLN 128 H GLN 128 -18.855 0.314 -4.836 979 HA GLN 128 HA GLN 128 -18.889 -0.170 -7.040 980 1HB GLN 128 1HB GLN 128 -21.775 -0.703 -6.344 981 2HB GLN 128 2HB GLN 128 -21.010 -1.207 -7.843 982 1HG GLN 128 1HG GLN 128 -19.572 -2.707 -6.718 983 2HG GLN 128 2HG GLN 128 -19.994 -2.032 -5.143 984 1HE2 GLN 128 1HE2 GLN 128 -21.941 -2.572 -4.198 985 2HE2 GLN 128 2HE2 GLN 128 -22.904 -3.904 -4.745 986 H GLU 129 H GLU 129 -18.643 2.333 -7.083 987 HA GLU 129 HA GLU 129 -19.946 3.125 -9.464 988 1HB GLU 129 1HB GLU 129 -21.725 3.617 -7.718 989 2HB GLU 129 2HB GLU 129 -20.640 4.851 -7.088 990 1HG GLU 129 1HG GLU 129 -20.706 6.039 -9.179 991 2HG GLU 129 2HG GLU 129 -21.672 4.763 -9.913 992 H ARG 130 H ARG 130 -17.901 3.381 -10.172 993 HA ARG 130 HA ARG 130 -16.711 5.858 -10.178 994 1HB ARG 130 1HB ARG 130 -16.199 5.279 -7.742 995 2HB ARG 130 2HB ARG 130 -15.143 4.015 -8.350 996 1HG ARG 130 1HG ARG 130 -13.715 5.628 -9.405 997 2HG ARG 130 2HG ARG 130 -14.828 6.937 -9.006 998 1HD ARG 130 1HD ARG 130 -14.404 6.657 -6.657 999 2HD ARG 130 2HD ARG 130 -13.429 5.218 -6.964 1000 HE ARG 130 HE ARG 130 -12.034 6.967 -8.331 1001 1HH1 ARG 130 1HH1 ARG 130 -13.581 7.472 -5.214 1002 2HH1 ARG 130 2HH1 ARG 130 -12.363 8.586 -4.669 1003 1HH2 ARG 130 1HH2 ARG 130 -10.429 8.401 -7.577 1004 2HH2 ARG 130 2HH2 ARG 130 -10.591 9.118 -5.993 1005 H ALA 131 H ALA 131 -17.383 3.412 -11.644 1006 HA ALA 131 HA ALA 131 -16.674 2.094 -13.336 1007 1HB ALA 131 1HB ALA 131 -15.434 4.055 -14.148 1008 2HB ALA 131 2HB ALA 131 -14.594 2.542 -14.498 1009 3HB ALA 131 3HB ALA 131 -14.049 3.569 -13.169 1010 H SER 132 H SER 132 -15.812 0.064 -13.538 1011 HA SER 132 HA SER 132 -14.472 -0.956 -11.151 1012 1HB SER 132 1HB SER 132 -15.745 -2.390 -13.491 1013 2HB SER 132 2HB SER 132 -15.032 -3.183 -12.090 1014 HG SER 132 HG SER 132 -16.854 -1.236 -11.452 Start of MODEL 13 1 1H MET 1 1H MET 1 15.013 4.560 -9.848 2 HA MET 1 HA MET 1 13.908 6.311 -7.908 3 1HB MET 1 1HB MET 1 13.634 3.851 -6.901 4 2HB MET 1 2HB MET 1 15.315 4.099 -6.463 5 1HG MET 1 1HG MET 1 13.125 6.011 -5.707 6 2HG MET 1 2HG MET 1 13.607 4.647 -4.703 7 1HE MET 1 1HE MET 1 13.988 6.392 -2.686 8 2HE MET 1 2HE MET 1 13.508 7.698 -3.770 9 3HE MET 1 3HE MET 1 15.001 7.829 -2.841 10 H SER 2 H SER 2 15.620 7.504 -6.812 11 HA SER 2 HA SER 2 17.850 7.941 -8.435 12 1HB SER 2 1HB SER 2 17.481 8.708 -5.531 13 2HB SER 2 2HB SER 2 18.631 9.431 -6.657 14 HG SER 2 HG SER 2 16.982 10.779 -6.861 15 H ASN 3 H ASN 3 18.230 7.025 -5.010 16 HA ASN 3 HA ASN 3 20.075 4.900 -5.758 17 1HB ASN 3 1HB ASN 3 20.884 7.352 -4.205 18 2HB ASN 3 2HB ASN 3 21.737 5.827 -4.023 19 1HD2 ASN 3 1HD2 ASN 3 21.160 8.555 -6.052 20 2HD2 ASN 3 2HD2 ASN 3 22.356 8.187 -7.244 21 H ASP 4 H ASP 4 20.617 3.484 -3.995 22 HA ASP 4 HA ASP 4 18.450 3.343 -2.082 23 1HB ASP 4 1HB ASP 4 19.494 1.141 -1.455 24 2HB ASP 4 2HB ASP 4 18.921 1.279 -3.107 25 H THR 5 H THR 5 18.889 5.054 -0.850 26 HA THR 5 HA THR 5 20.543 4.499 1.416 27 HB THR 5 HB THR 5 21.072 7.130 0.018 28 HG1 THR 5 HG1 THR 5 22.178 4.649 -0.388 29 1HG2 THR 5 1HG2 THR 5 22.896 7.321 1.615 30 2HG2 THR 5 2HG2 THR 5 22.474 5.755 2.308 31 3HG2 THR 5 3HG2 THR 5 21.363 7.116 2.458 32 HA PRO 6 HA PRO 6 17.275 7.937 2.286 33 1HB PRO 6 1HB PRO 6 15.866 8.380 -0.234 34 2HB PRO 6 2HB PRO 6 16.571 9.566 0.865 35 1HG PRO 6 1HG PRO 6 17.592 9.044 -1.590 36 2HG PRO 6 2HG PRO 6 18.589 9.561 -0.220 37 1HD PRO 6 1HD PRO 6 18.194 6.822 -1.357 38 2HD PRO 6 2HD PRO 6 19.674 7.591 -0.757 39 H PHE 7 H PHE 7 16.425 5.932 -0.530 40 HA PHE 7 HA PHE 7 13.966 5.008 0.529 41 1HB PHE 7 1HB PHE 7 14.626 4.938 -1.907 42 2HB PHE 7 2HB PHE 7 15.696 3.596 -1.513 43 HD1 PHE 7 HD1 PHE 7 12.279 4.639 -2.093 44 HD2 PHE 7 HD2 PHE 7 14.747 1.431 -0.780 45 HE1 PHE 7 HE1 PHE 7 10.402 3.075 -2.386 46 HE2 PHE 7 HE2 PHE 7 12.877 -0.138 -1.071 47 HZ PHE 7 HZ PHE 7 10.702 0.682 -1.876 48 H ASP 8 H ASP 8 17.284 3.879 0.676 49 HA ASP 8 HA ASP 8 16.995 1.359 1.797 50 1HB ASP 8 1HB ASP 8 19.168 2.273 1.194 51 2HB ASP 8 2HB ASP 8 19.030 3.506 2.426 52 H ALA 9 H ALA 9 17.395 4.432 3.425 53 HA ALA 9 HA ALA 9 16.950 3.561 6.055 54 1HB ALA 9 1HB ALA 9 16.348 6.278 4.882 55 2HB ALA 9 2HB ALA 9 17.907 5.744 5.511 56 3HB ALA 9 3HB ALA 9 16.524 5.907 6.596 57 H LEU 10 H LEU 10 14.641 4.864 3.690 58 HA LEU 10 HA LEU 10 12.372 4.819 5.328 59 1HB LEU 10 1HB LEU 10 12.967 5.192 2.535 60 2HB LEU 10 2HB LEU 10 11.517 4.222 2.721 61 HG LEU 10 HG LEU 10 10.965 6.589 2.510 62 1HD1 LEU 10 1HD1 LEU 10 10.473 5.468 5.265 63 2HD1 LEU 10 2HD1 LEU 10 9.484 5.203 3.829 64 3HD1 LEU 10 3HD1 LEU 10 9.592 6.812 4.541 65 1HD2 LEU 10 1HD2 LEU 10 12.586 6.934 5.031 66 2HD2 LEU 10 2HD2 LEU 10 11.607 8.180 4.254 67 3HD2 LEU 10 3HD2 LEU 10 13.024 7.526 3.430 68 H TRP 11 H TRP 11 13.724 2.325 3.214 69 HA TRP 11 HA TRP 11 11.626 0.472 3.589 70 1HB TRP 11 1HB TRP 11 13.652 0.543 1.865 71 2HB TRP 11 2HB TRP 11 14.391 -0.512 3.065 72 HD1 TRP 11 HD1 TRP 11 10.737 -1.064 2.988 73 HE1 TRP 11 HE1 TRP 11 10.162 -3.185 1.656 74 HE3 TRP 11 HE3 TRP 11 15.280 -1.906 0.774 75 HZ2 TRP 11 HZ2 TRP 11 11.445 -4.976 -0.083 76 HZ3 TRP 11 HZ3 TRP 11 15.509 -3.859 -0.714 77 HH2 TRP 11 HH2 TRP 11 13.623 -5.358 -1.132 78 H GLN 12 H GLN 12 14.704 1.011 5.239 79 HA GLN 12 HA GLN 12 14.628 -1.109 7.040 80 1HB GLN 12 1HB GLN 12 15.739 1.683 7.285 81 2HB GLN 12 2HB GLN 12 15.999 0.446 8.491 82 1HG GLN 12 1HG GLN 12 16.856 0.302 5.616 83 2HG GLN 12 2HG GLN 12 17.900 0.638 6.996 84 1HE2 GLN 12 1HE2 GLN 12 16.600 -1.285 8.723 85 2HE2 GLN 12 2HE2 GLN 12 17.081 -2.852 8.172 86 H ARG 13 H ARG 13 13.064 2.036 7.124 87 HA ARG 13 HA ARG 13 12.047 1.915 9.743 88 1HB ARG 13 1HB ARG 13 10.847 3.279 7.329 89 2HB ARG 13 2HB ARG 13 10.429 3.605 8.997 90 1HG ARG 13 1HG ARG 13 13.068 4.133 7.655 91 2HG ARG 13 2HG ARG 13 11.882 5.332 8.174 92 1HD ARG 13 1HD ARG 13 13.346 3.446 10.015 93 2HD ARG 13 2HD ARG 13 13.815 5.117 9.709 94 HE ARG 13 HE ARG 13 11.154 5.131 10.524 95 1HH1 ARG 13 1HH1 ARG 13 14.301 4.362 11.822 96 2HH1 ARG 13 2HH1 ARG 13 13.869 4.737 13.459 97 1HH2 ARG 13 1HH2 ARG 13 10.557 5.610 12.685 98 2HH2 ARG 13 2HH2 ARG 13 11.729 5.412 13.959 99 H MET 14 H MET 14 10.493 1.147 6.652 100 HA MET 14 HA MET 14 8.097 0.181 7.753 101 1HB MET 14 1HB MET 14 9.383 -0.453 5.096 102 2HB MET 14 2HB MET 14 7.739 -0.887 5.536 103 1HG MET 14 1HG MET 14 7.356 1.585 5.944 104 2HG MET 14 2HG MET 14 8.892 1.850 5.124 105 1HE MET 14 1HE MET 14 9.328 1.172 2.548 106 2HE MET 14 2HE MET 14 8.118 0.356 1.556 107 3HE MET 14 3HE MET 14 8.836 -0.478 2.934 108 H LEU 15 H LEU 15 11.161 -1.398 7.087 109 HA LEU 15 HA LEU 15 10.309 -4.067 7.441 110 1HB LEU 15 1HB LEU 15 12.853 -2.634 7.305 111 2HB LEU 15 2HB LEU 15 12.907 -4.022 8.375 112 HG LEU 15 HG LEU 15 13.654 -4.566 6.095 113 1HD1 LEU 15 1HD1 LEU 15 12.272 -6.554 5.783 114 2HD1 LEU 15 2HD1 LEU 15 11.065 -5.889 6.881 115 3HD1 LEU 15 3HD1 LEU 15 12.668 -6.305 7.484 116 1HD2 LEU 15 1HD2 LEU 15 12.272 -2.998 4.847 117 2HD2 LEU 15 2HD2 LEU 15 10.825 -3.898 5.301 118 3HD2 LEU 15 3HD2 LEU 15 12.039 -4.647 4.265 119 H ALA 16 H ALA 16 11.441 -1.614 9.708 120 HA ALA 16 HA ALA 16 11.496 -3.276 12.000 121 1HB ALA 16 1HB ALA 16 12.671 -1.121 11.878 122 2HB ALA 16 2HB ALA 16 11.602 -1.211 13.276 123 3HB ALA 16 3HB ALA 16 11.118 -0.286 11.856 124 H ARG 17 H ARG 17 8.955 -1.650 10.303 125 HA ARG 17 HA ARG 17 7.054 -1.686 12.435 126 1HB ARG 17 1HB ARG 17 6.670 -1.389 9.451 127 2HB ARG 17 2HB ARG 17 5.405 -1.159 10.652 128 1HG ARG 17 1HG ARG 17 7.930 0.457 10.389 129 2HG ARG 17 2HG ARG 17 6.301 0.970 9.943 130 1HD ARG 17 1HD ARG 17 5.597 0.746 12.273 131 2HD ARG 17 2HD ARG 17 7.223 0.233 12.715 132 HE ARG 17 HE ARG 17 7.020 2.829 11.435 133 1HH1 ARG 17 1HH1 ARG 17 7.271 1.002 14.401 134 2HH1 ARG 17 2HH1 ARG 17 7.724 2.374 15.367 135 1HH2 ARG 17 1HH2 ARG 17 7.662 4.652 12.702 136 2HH2 ARG 17 2HH2 ARG 17 7.972 4.442 14.398 137 H GLY 18 H GLY 18 8.319 -4.101 10.445 138 1HA GLY 18 1HA GLY 18 7.844 -6.382 10.941 139 2HA GLY 18 2HA GLY 18 6.217 -5.914 11.402 140 H TRP 19 H TRP 19 7.051 -4.347 8.570 141 HA TRP 19 HA TRP 19 5.337 -6.100 7.046 142 1HB TRP 19 1HB TRP 19 6.715 -3.511 6.311 143 2HB TRP 19 2HB TRP 19 5.635 -4.398 5.241 144 HD1 TRP 19 HD1 TRP 19 3.406 -5.120 7.451 145 HE1 TRP 19 HE1 TRP 19 1.837 -3.257 8.280 146 HE3 TRP 19 HE3 TRP 19 6.235 -1.051 6.193 147 HZ2 TRP 19 HZ2 TRP 19 1.801 -0.437 8.382 148 HZ3 TRP 19 HZ3 TRP 19 5.360 1.192 6.689 149 HH2 TRP 19 HH2 TRP 19 3.189 1.492 7.760 150 H THR 20 H THR 20 6.016 -7.699 5.838 151 HA THR 20 HA THR 20 8.870 -8.131 5.527 152 HB THR 20 HB THR 20 6.572 -9.943 4.756 153 HG1 THR 20 HG1 THR 20 7.377 -9.225 7.163 154 1HG2 THR 20 1HG2 THR 20 8.649 -10.524 3.630 155 2HG2 THR 20 2HG2 THR 20 8.278 -11.718 4.874 156 3HG2 THR 20 3HG2 THR 20 9.514 -10.494 5.168 157 HA PRO 21 HA PRO 21 8.815 -6.710 1.264 158 1HB PRO 21 1HB PRO 21 11.375 -7.469 0.712 159 2HB PRO 21 2HB PRO 21 10.966 -5.979 1.568 160 1HG PRO 21 1HG PRO 21 11.881 -8.607 2.662 161 2HG PRO 21 2HG PRO 21 12.345 -6.964 3.147 162 1HD PRO 21 1HD PRO 21 10.557 -8.447 4.538 163 2HD PRO 21 2HD PRO 21 10.460 -6.677 4.435 164 H VAL 22 H VAL 22 8.338 -7.722 -0.602 165 HA VAL 22 HA VAL 22 8.921 -10.596 -0.823 166 HB VAL 22 HB VAL 22 6.573 -10.321 -0.141 167 1HG1 VAL 22 1HG1 VAL 22 4.953 -9.249 -1.636 168 2HG1 VAL 22 2HG1 VAL 22 6.273 -8.724 -2.681 169 3HG1 VAL 22 3HG1 VAL 22 6.154 -8.105 -1.033 170 1HG2 VAL 22 1HG2 VAL 22 7.143 -12.210 -1.556 171 2HG2 VAL 22 2HG2 VAL 22 6.878 -11.234 -3.001 172 3HG2 VAL 22 3HG2 VAL 22 5.526 -11.620 -1.936 173 H SER 23 H SER 23 9.224 -11.358 -2.964 174 HA SER 23 HA SER 23 10.201 -9.297 -4.746 175 1HB SER 23 1HB SER 23 11.019 -11.303 -6.074 176 2HB SER 23 2HB SER 23 11.687 -11.126 -4.453 177 HG SER 23 HG SER 23 11.020 -13.094 -4.182 178 H GLU 24 H GLU 24 9.840 -9.609 -7.125 179 HA GLU 24 HA GLU 24 7.290 -8.748 -7.678 180 1HB GLU 24 1HB GLU 24 9.429 -8.523 -9.046 181 2HB GLU 24 2HB GLU 24 9.057 -10.113 -9.701 182 1HG GLU 24 1HG GLU 24 6.740 -8.958 -10.225 183 2HG GLU 24 2HG GLU 24 7.729 -7.503 -10.171 184 H SER 25 H SER 25 8.605 -11.963 -8.560 185 HA SER 25 HA SER 25 6.055 -12.787 -9.605 186 1HB SER 25 1HB SER 25 8.271 -13.483 -10.563 187 2HB SER 25 2HB SER 25 8.521 -14.477 -9.129 188 HG SER 25 HG SER 25 7.325 -15.203 -11.304 189 H ARG 26 H ARG 26 7.592 -12.921 -6.539 190 HA ARG 26 HA ARG 26 6.240 -15.353 -5.713 191 1HB ARG 26 1HB ARG 26 8.604 -14.543 -4.982 192 2HB ARG 26 2HB ARG 26 7.724 -13.523 -3.852 193 1HG ARG 26 1HG ARG 26 8.431 -15.594 -2.797 194 2HG ARG 26 2HG ARG 26 6.669 -15.492 -2.874 195 1HD ARG 26 1HD ARG 26 6.658 -16.947 -4.831 196 2HD ARG 26 2HD ARG 26 8.419 -17.019 -4.806 197 HE ARG 26 HE ARG 26 7.740 -17.922 -2.348 198 1HH1 ARG 26 1HH1 ARG 26 6.684 -18.808 -5.582 199 2HH1 ARG 26 2HH1 ARG 26 6.381 -20.467 -5.147 200 1HH2 ARG 26 1HH2 ARG 26 7.378 -20.106 -1.815 201 2HH2 ARG 26 2HH2 ARG 26 6.796 -21.202 -3.034 202 H LEU 27 H LEU 27 5.675 -11.999 -5.745 203 HA LEU 27 HA LEU 27 3.896 -11.783 -3.564 204 1HB LEU 27 1HB LEU 27 4.959 -10.039 -5.370 205 2HB LEU 27 2HB LEU 27 3.316 -10.157 -5.956 206 HG LEU 27 HG LEU 27 4.157 -9.291 -3.190 207 1HD1 LEU 27 1HD1 LEU 27 3.252 -7.118 -3.865 208 2HD1 LEU 27 2HD1 LEU 27 2.957 -7.754 -5.485 209 3HD1 LEU 27 3HD1 LEU 27 4.608 -7.616 -4.881 210 1HD2 LEU 27 1HD2 LEU 27 1.807 -8.790 -2.803 211 2HD2 LEU 27 2HD2 LEU 27 2.038 -10.508 -3.124 212 3HD2 LEU 27 3HD2 LEU 27 1.393 -9.453 -4.384 213 H ASP 28 H ASP 28 3.507 -12.747 -6.929 214 HA ASP 28 HA ASP 28 0.664 -12.810 -6.923 215 1HB ASP 28 1HB ASP 28 2.079 -12.692 -8.977 216 2HB ASP 28 2HB ASP 28 2.560 -14.361 -8.700 217 H ASP 29 H ASP 29 3.133 -15.101 -6.008 218 HA ASP 29 HA ASP 29 1.545 -17.427 -5.749 219 1HB ASP 29 1HB ASP 29 4.060 -17.306 -5.608 220 2HB ASP 29 2HB ASP 29 3.887 -16.610 -4.013 221 H TRP 30 H TRP 30 2.587 -15.040 -3.398 222 HA TRP 30 HA TRP 30 0.967 -15.826 -1.265 223 1HB TRP 30 1HB TRP 30 2.166 -13.174 -2.024 224 2HB TRP 30 2HB TRP 30 1.175 -13.350 -0.581 225 HD1 TRP 30 HD1 TRP 30 3.700 -16.043 -1.673 226 HE1 TRP 30 HE1 TRP 30 5.526 -16.213 0.133 227 HE3 TRP 30 HE3 TRP 30 2.325 -12.074 1.245 228 HZ2 TRP 30 HZ2 TRP 30 6.294 -14.830 2.475 229 HZ3 TRP 30 HZ3 TRP 30 3.664 -11.561 3.245 230 HH2 TRP 30 HH2 TRP 30 5.605 -12.913 3.846 231 H LEU 31 H LEU 31 0.277 -13.642 -3.960 232 HA LEU 31 HA LEU 31 -2.180 -12.656 -3.036 233 1HB LEU 31 1HB LEU 31 -1.052 -12.968 -5.805 234 2HB LEU 31 2HB LEU 31 -2.595 -12.214 -5.504 235 HG LEU 31 HG LEU 31 0.045 -11.252 -4.470 236 1HD1 LEU 31 1HD1 LEU 31 -0.228 -10.888 -6.862 237 2HD1 LEU 31 2HD1 LEU 31 -0.305 -9.363 -5.979 238 3HD1 LEU 31 3HD1 LEU 31 -1.786 -10.115 -6.570 239 1HD2 LEU 31 1HD2 LEU 31 -1.759 -10.788 -2.896 240 2HD2 LEU 31 2HD2 LEU 31 -2.704 -10.057 -4.193 241 3HD2 LEU 31 3HD2 LEU 31 -1.197 -9.307 -3.671 242 H THR 32 H THR 32 -1.460 -15.644 -4.789 243 HA THR 32 HA THR 32 -4.250 -16.149 -5.296 244 HB THR 32 HB THR 32 -2.572 -17.006 -6.871 245 HG1 THR 32 HG1 THR 32 -4.665 -18.209 -6.121 246 1HG2 THR 32 1HG2 THR 32 -1.193 -18.947 -6.286 247 2HG2 THR 32 2HG2 THR 32 -1.741 -18.824 -4.615 248 3HG2 THR 32 3HG2 THR 32 -0.772 -17.531 -5.321 249 H GLN 33 H GLN 33 -1.970 -16.879 -2.777 250 HA GLN 33 HA GLN 33 -3.684 -18.869 -1.565 251 1HB GLN 33 1HB GLN 33 -1.115 -17.564 -0.688 252 2HB GLN 33 2HB GLN 33 -1.970 -18.754 0.277 253 1HG GLN 33 1HG GLN 33 -1.644 -20.441 -1.352 254 2HG GLN 33 2HG GLN 33 -1.044 -19.270 -2.528 255 1HE2 GLN 33 1HE2 GLN 33 1.009 -18.455 -2.313 256 2HE2 GLN 33 2HE2 GLN 33 2.208 -19.210 -1.319 257 H ALA 34 H ALA 34 -2.935 -15.471 -1.149 258 HA ALA 34 HA ALA 34 -4.481 -15.270 1.296 259 1HB ALA 34 1HB ALA 34 -2.449 -13.944 1.044 260 2HB ALA 34 2HB ALA 34 -3.865 -12.917 1.250 261 3HB ALA 34 3HB ALA 34 -3.152 -13.122 -0.350 262 HA PRO 35 HA PRO 35 -8.310 -14.277 -0.672 263 1HB PRO 35 1HB PRO 35 -8.921 -12.470 1.557 264 2HB PRO 35 2HB PRO 35 -9.712 -13.975 1.084 265 1HG PRO 35 1HG PRO 35 -8.202 -13.798 3.307 266 2HG PRO 35 2HG PRO 35 -8.280 -15.278 2.337 267 1HD PRO 35 1HD PRO 35 -6.159 -13.169 2.405 268 2HD PRO 35 2HD PRO 35 -5.986 -14.935 2.332 269 H ASP 36 H ASP 36 -7.349 -11.329 1.099 270 HA ASP 36 HA ASP 36 -7.769 -9.829 -1.397 271 1HB ASP 36 1HB ASP 36 -8.147 -8.841 1.438 272 2HB ASP 36 2HB ASP 36 -8.447 -7.916 -0.029 273 H GLY 37 H GLY 37 -6.444 -8.464 1.543 274 1HA GLY 37 1HA GLY 37 -4.204 -8.086 2.132 275 2HA GLY 37 2HA GLY 37 -3.712 -8.739 0.579 276 H VAL 38 H VAL 38 -2.568 -6.471 1.639 277 HA VAL 38 HA VAL 38 -3.276 -4.522 -0.425 278 HB VAL 38 HB VAL 38 -2.839 -2.646 1.199 279 1HG1 VAL 38 1HG1 VAL 38 -5.109 -3.181 0.482 280 2HG1 VAL 38 2HG1 VAL 38 -5.086 -2.660 2.168 281 3HG1 VAL 38 3HG1 VAL 38 -5.246 -4.373 1.775 282 1HG2 VAL 38 1HG2 VAL 38 -3.147 -3.097 3.588 283 2HG2 VAL 38 2HG2 VAL 38 -1.720 -3.912 2.947 284 3HG2 VAL 38 3HG2 VAL 38 -3.198 -4.827 3.249 285 H VAL 39 H VAL 39 -1.517 -3.349 -1.217 286 HA VAL 39 HA VAL 39 1.111 -4.223 -0.200 287 HB VAL 39 HB VAL 39 0.337 -3.972 -3.114 288 1HG1 VAL 39 1HG1 VAL 39 2.651 -3.305 -2.721 289 2HG1 VAL 39 2HG1 VAL 39 2.572 -4.831 -3.597 290 3HG1 VAL 39 3HG1 VAL 39 2.954 -4.823 -1.875 291 1HG2 VAL 39 1HG2 VAL 39 0.954 -6.408 -1.445 292 2HG2 VAL 39 2HG2 VAL 39 0.745 -6.408 -3.197 293 3HG2 VAL 39 3HG2 VAL 39 -0.605 -5.977 -2.148 294 H LEU 40 H LEU 40 2.650 -2.691 -0.034 295 HA LEU 40 HA LEU 40 1.948 0.045 -0.768 296 1HB LEU 40 1HB LEU 40 4.146 -1.135 0.919 297 2HB LEU 40 2HB LEU 40 4.180 0.540 0.407 298 HG LEU 40 HG LEU 40 1.952 0.834 1.557 299 1HD1 LEU 40 1HD1 LEU 40 1.350 -0.795 3.275 300 2HD1 LEU 40 2HD1 LEU 40 2.633 -1.866 2.706 301 3HD1 LEU 40 3HD1 LEU 40 1.264 -1.489 1.657 302 1HD2 LEU 40 1HD2 LEU 40 2.949 0.986 3.793 303 2HD2 LEU 40 2HD2 LEU 40 4.026 1.618 2.546 304 3HD2 LEU 40 3HD2 LEU 40 4.319 0.020 3.239 305 H LEU 41 H LEU 41 2.655 0.927 -2.600 306 HA LEU 41 HA LEU 41 4.842 -0.448 -4.024 307 1HB LEU 41 1HB LEU 41 2.510 -0.566 -5.004 308 2HB LEU 41 2HB LEU 41 2.619 1.164 -5.268 309 HG LEU 41 HG LEU 41 4.623 0.765 -6.697 310 1HD1 LEU 41 1HD1 LEU 41 5.050 -1.501 -7.485 311 2HD1 LEU 41 2HD1 LEU 41 3.823 -2.122 -6.382 312 3HD1 LEU 41 3HD1 LEU 41 5.287 -1.382 -5.742 313 1HD2 LEU 41 1HD2 LEU 41 3.347 -0.107 -8.601 314 2HD2 LEU 41 2HD2 LEU 41 2.428 1.085 -7.685 315 3HD2 LEU 41 3HD2 LEU 41 2.075 -0.632 -7.500 316 H SER 42 H SER 42 6.368 0.802 -5.125 317 HA SER 42 HA SER 42 6.210 3.693 -4.960 318 1HB SER 42 1HB SER 42 7.293 2.923 -2.816 319 2HB SER 42 2HB SER 42 8.585 2.222 -3.788 320 HG SER 42 HG SER 42 8.648 4.564 -2.881 321 H SER 43 H SER 43 7.492 4.706 -6.499 322 HA SER 43 HA SER 43 9.416 3.232 -8.059 323 1HB SER 43 1HB SER 43 6.968 4.378 -9.439 324 2HB SER 43 2HB SER 43 8.319 3.553 -10.211 325 HG SER 43 HG SER 43 7.455 1.886 -8.406 326 H ASP 44 H ASP 44 10.087 5.179 -6.506 327 HA ASP 44 HA ASP 44 11.109 7.207 -6.347 328 1HB ASP 44 1HB ASP 44 11.842 6.838 -8.710 329 2HB ASP 44 2HB ASP 44 10.372 7.636 -9.255 330 HA PRO 45 HA PRO 45 7.468 9.046 -4.852 331 1HB PRO 45 1HB PRO 45 9.108 11.418 -4.213 332 2HB PRO 45 2HB PRO 45 8.193 10.355 -3.136 333 1HG PRO 45 1HG PRO 45 10.863 10.274 -3.215 334 2HG PRO 45 2HG PRO 45 9.901 8.799 -3.002 335 1HD PRO 45 1HD PRO 45 11.255 9.844 -5.462 336 2HD PRO 45 2HD PRO 45 11.149 8.177 -4.855 337 H LYS 46 H LYS 46 5.882 9.990 -5.855 338 HA LYS 46 HA LYS 46 6.271 12.567 -7.160 339 1HB LYS 46 1HB LYS 46 6.103 10.843 -8.869 340 2HB LYS 46 2HB LYS 46 4.617 10.255 -8.160 341 1HG LYS 46 1HG LYS 46 4.253 11.630 -10.170 342 2HG LYS 46 2HG LYS 46 3.453 12.267 -8.733 343 1HD LYS 46 1HD LYS 46 5.427 13.803 -8.450 344 2HD LYS 46 2HD LYS 46 5.980 13.267 -10.041 345 1HE LYS 46 1HE LYS 46 3.902 14.058 -11.043 346 2HE LYS 46 2HE LYS 46 3.312 14.554 -9.456 347 1HZ LYS 46 1HZ LYS 46 4.168 16.451 -10.611 348 2HZ LYS 46 2HZ LYS 46 5.641 15.678 -10.914 349 3HZ LYS 46 3HZ LYS 46 5.213 16.097 -9.325 350 H ARG 47 H ARG 47 3.693 10.285 -6.233 351 HA ARG 47 HA ARG 47 1.841 12.323 -5.556 352 1HB ARG 47 1HB ARG 47 1.928 9.365 -4.974 353 2HB ARG 47 2HB ARG 47 0.613 10.396 -4.422 354 1HG ARG 47 1HG ARG 47 1.428 10.161 -7.309 355 2HG ARG 47 2HG ARG 47 0.188 9.155 -6.555 356 1HD ARG 47 1HD ARG 47 -1.237 10.972 -6.194 357 2HD ARG 47 2HD ARG 47 0.063 12.149 -6.399 358 HE ARG 47 HE ARG 47 0.050 11.549 -8.791 359 1HH1 ARG 47 1HH1 ARG 47 -2.792 10.797 -6.867 360 2HH1 ARG 47 2HH1 ARG 47 -3.871 10.864 -8.222 361 1HH2 ARG 47 1HH2 ARG 47 -1.374 11.645 -10.568 362 2HH2 ARG 47 2HH2 ARG 47 -3.070 11.340 -10.335 363 H THR 48 H THR 48 4.084 10.355 -3.672 364 HA THR 48 HA THR 48 3.449 11.503 -1.158 365 HB THR 48 HB THR 48 6.142 10.385 -1.958 366 HG1 THR 48 HG1 THR 48 4.468 8.589 -0.790 367 1HG2 THR 48 1HG2 THR 48 4.636 10.349 0.662 368 2HG2 THR 48 2HG2 THR 48 5.967 11.435 0.263 369 3HG2 THR 48 3HG2 THR 48 6.250 9.699 0.378 370 HA PRO 49 HA PRO 49 4.897 15.626 -2.066 371 1HB PRO 49 1HB PRO 49 5.246 15.647 0.899 372 2HB PRO 49 2HB PRO 49 4.441 16.823 -0.151 373 1HG PRO 49 1HG PRO 49 3.009 15.129 1.302 374 2HG PRO 49 2HG PRO 49 2.525 15.531 -0.354 375 1HD PRO 49 1HD PRO 49 3.815 13.049 0.694 376 2HD PRO 49 2HD PRO 49 2.615 13.242 -0.602 377 H GLU 50 H GLU 50 6.635 14.176 0.710 378 HA GLU 50 HA GLU 50 9.139 15.065 -0.540 379 1HB GLU 50 1HB GLU 50 8.473 14.379 2.319 380 2HB GLU 50 2HB GLU 50 10.119 14.627 1.753 381 1HG GLU 50 1HG GLU 50 7.903 16.660 1.623 382 2HG GLU 50 2HG GLU 50 9.195 16.618 2.823 383 H VAL 51 H VAL 51 8.993 12.550 1.894 384 HA VAL 51 HA VAL 51 9.648 10.518 -0.107 385 HB VAL 51 HB VAL 51 11.400 10.987 2.317 386 1HG1 VAL 51 1HG1 VAL 51 12.846 9.299 1.322 387 2HG1 VAL 51 2HG1 VAL 51 11.705 9.090 -0.005 388 3HG1 VAL 51 3HG1 VAL 51 11.237 8.650 1.637 389 1HG2 VAL 51 1HG2 VAL 51 13.142 11.709 0.786 390 2HG2 VAL 51 2HG2 VAL 51 11.729 12.756 0.636 391 3HG2 VAL 51 3HG2 VAL 51 12.046 11.521 -0.582 392 H SER 52 H SER 52 9.762 10.826 3.445 393 HA SER 52 HA SER 52 8.723 8.216 3.810 394 1HB SER 52 1HB SER 52 8.767 9.429 6.250 395 2HB SER 52 2HB SER 52 10.153 8.644 5.500 396 HG SER 52 HG SER 52 9.568 11.350 5.820 397 H ASP 53 H ASP 53 7.563 11.452 4.637 398 HA ASP 53 HA ASP 53 5.567 12.287 5.279 399 1HB ASP 53 1HB ASP 53 5.125 11.261 2.908 400 2HB ASP 53 2HB ASP 53 4.199 10.072 3.808 401 H ASN 54 H ASN 54 3.116 10.506 5.591 402 HA ASN 54 HA ASN 54 3.986 9.147 8.067 403 1HB ASN 54 1HB ASN 54 2.641 11.224 8.464 404 2HB ASN 54 2HB ASN 54 1.301 10.467 7.612 405 1HD2 ASN 54 1HD2 ASN 54 1.473 11.411 10.357 406 2HD2 ASN 54 2HD2 ASN 54 1.098 10.044 11.357 407 HA PRO 55 HA PRO 55 1.888 5.816 5.806 408 1HB PRO 55 1HB PRO 55 3.811 3.984 6.012 409 2HB PRO 55 2HB PRO 55 3.943 5.306 4.848 410 1HG PRO 55 1HG PRO 55 5.332 4.925 7.447 411 2HG PRO 55 2HG PRO 55 5.905 5.712 5.969 412 1HD PRO 55 1HD PRO 55 4.834 6.972 8.269 413 2HD PRO 55 2HD PRO 55 5.207 7.734 6.712 414 H VAL 56 H VAL 56 2.239 6.577 8.883 415 HA VAL 56 HA VAL 56 2.184 3.961 10.135 416 HB VAL 56 HB VAL 56 1.729 6.657 11.427 417 1HG1 VAL 56 1HG1 VAL 56 1.011 4.761 12.789 418 2HG1 VAL 56 2HG1 VAL 56 2.431 5.547 13.482 419 3HG1 VAL 56 3HG1 VAL 56 2.603 4.024 12.610 420 1HG2 VAL 56 1HG2 VAL 56 3.878 6.614 10.249 421 2HG2 VAL 56 2HG2 VAL 56 4.318 5.139 11.109 422 3HG2 VAL 56 3HG2 VAL 56 4.100 6.646 11.999 423 H MET 57 H MET 57 -0.055 6.129 8.809 424 HA MET 57 HA MET 57 -2.286 5.847 10.448 425 1HB MET 57 1HB MET 57 -3.607 6.403 8.370 426 2HB MET 57 2HB MET 57 -2.354 7.544 8.826 427 1HG MET 57 1HG MET 57 -2.204 7.358 6.509 428 2HG MET 57 2HG MET 57 -0.877 6.382 7.126 429 1HE MET 57 1HE MET 57 -0.677 5.312 4.671 430 2HE MET 57 2HE MET 57 -2.058 6.263 4.124 431 3HE MET 57 3HE MET 57 -2.021 4.522 3.842 432 H ILE 58 H ILE 58 -0.889 3.566 8.303 433 HA ILE 58 HA ILE 58 -2.984 1.909 7.612 434 HB ILE 58 HB ILE 58 -0.167 1.147 8.398 435 1HG1 ILE 58 1HG1 ILE 58 -0.346 2.713 6.496 436 2HG1 ILE 58 2HG1 ILE 58 0.276 1.140 6.005 437 1HG2 ILE 58 1HG2 ILE 58 -1.617 -0.804 8.533 438 2HG2 ILE 58 2HG2 ILE 58 -0.519 -0.925 7.158 439 3HG2 ILE 58 3HG2 ILE 58 -2.210 -0.489 6.902 440 1HD1 ILE 58 1HD1 ILE 58 -1.942 0.542 5.156 441 2HD1 ILE 58 2HD1 ILE 58 -1.302 1.989 4.379 442 3HD1 ILE 58 3HD1 ILE 58 -2.540 2.131 5.629 443 H GLY 59 H GLY 59 -1.434 2.275 10.745 444 1HA GLY 59 1HA GLY 59 -2.160 -0.186 11.900 445 2HA GLY 59 2HA GLY 59 -1.789 1.285 12.784 446 H GLU 60 H GLU 60 -3.791 2.984 12.147 447 HA GLU 60 HA GLU 60 -6.018 1.788 13.515 448 1HB GLU 60 1HB GLU 60 -7.043 4.114 13.149 449 2HB GLU 60 2HB GLU 60 -5.668 3.963 14.229 450 1HG GLU 60 1HG GLU 60 -5.192 4.628 11.375 451 2HG GLU 60 2HG GLU 60 -5.811 5.869 12.458 452 H LEU 61 H LEU 61 -5.200 2.545 10.241 453 HA LEU 61 HA LEU 61 -7.733 2.771 9.091 454 1HB LEU 61 1HB LEU 61 -5.624 3.297 7.947 455 2HB LEU 61 2HB LEU 61 -5.231 1.591 7.891 456 HG LEU 61 HG LEU 61 -7.235 1.216 6.460 457 1HD1 LEU 61 1HD1 LEU 61 -8.317 3.133 5.418 458 2HD1 LEU 61 2HD1 LEU 61 -7.359 4.229 6.414 459 3HD1 LEU 61 3HD1 LEU 61 -8.540 3.159 7.168 460 1HD2 LEU 61 1HD2 LEU 61 -5.234 3.220 5.433 461 2HD2 LEU 61 2HD2 LEU 61 -6.259 2.185 4.441 462 3HD2 LEU 61 3HD2 LEU 61 -5.025 1.470 5.480 463 H LEU 62 H LEU 62 -5.741 -0.126 9.574 464 HA LEU 62 HA LEU 62 -7.533 -1.903 8.301 465 1HB LEU 62 1HB LEU 62 -5.156 -2.195 10.058 466 2HB LEU 62 2HB LEU 62 -6.197 -3.589 9.853 467 HG LEU 62 HG LEU 62 -5.844 -3.525 7.430 468 1HD1 LEU 62 1HD1 LEU 62 -5.542 -1.115 7.169 469 2HD1 LEU 62 2HD1 LEU 62 -4.221 -2.021 6.432 470 3HD1 LEU 62 3HD1 LEU 62 -3.982 -1.224 7.986 471 1HD2 LEU 62 1HD2 LEU 62 -3.498 -4.184 7.415 472 2HD2 LEU 62 2HD2 LEU 62 -4.322 -4.826 8.835 473 3HD2 LEU 62 3HD2 LEU 62 -3.266 -3.425 8.989 474 H ARG 63 H ARG 63 -7.456 -0.579 11.497 475 HA ARG 63 HA ARG 63 -8.888 -2.586 12.857 476 1HB ARG 63 1HB ARG 63 -8.069 0.176 13.394 477 2HB ARG 63 2HB ARG 63 -9.538 -0.321 14.226 478 1HG ARG 63 1HG ARG 63 -6.935 -1.832 14.322 479 2HG ARG 63 2HG ARG 63 -7.479 -0.680 15.545 480 1HD ARG 63 1HD ARG 63 -9.421 -2.036 16.017 481 2HD ARG 63 2HD ARG 63 -8.996 -3.149 14.718 482 HE ARG 63 HE ARG 63 -6.833 -3.364 16.209 483 1HH1 ARG 63 1HH1 ARG 63 -10.191 -3.236 17.224 484 2HH1 ARG 63 2HH1 ARG 63 -9.930 -4.214 18.631 485 1HH2 ARG 63 1HH2 ARG 63 -6.501 -4.638 18.092 486 2HH2 ARG 63 2HH2 ARG 63 -7.860 -5.008 19.120 487 H GLU 64 H GLU 64 -9.970 -0.513 10.429 488 HA GLU 64 HA GLU 64 -12.664 -0.199 11.241 489 1HB GLU 64 1HB GLU 64 -11.361 -0.248 8.523 490 2HB GLU 64 2HB GLU 64 -13.083 0.040 8.748 491 1HG GLU 64 1HG GLU 64 -10.832 1.713 9.836 492 2HG GLU 64 2HG GLU 64 -11.903 2.131 8.500 493 H PHE 65 H PHE 65 -10.887 -2.814 9.747 494 HA PHE 65 HA PHE 65 -13.273 -4.502 10.023 495 1HB PHE 65 1HB PHE 65 -11.415 -4.522 7.628 496 2HB PHE 65 2HB PHE 65 -12.736 -5.653 7.906 497 HD1 PHE 65 HD1 PHE 65 -11.803 -2.350 6.753 498 HD2 PHE 65 HD2 PHE 65 -15.077 -4.857 7.818 499 HE1 PHE 65 HE1 PHE 65 -13.350 -0.818 5.608 500 HE2 PHE 65 HE2 PHE 65 -16.624 -3.330 6.670 501 HZ PHE 65 HZ PHE 65 -15.764 -1.305 5.563 502 HA PRO 66 HA PRO 66 -9.537 -6.429 11.902 503 1HB PRO 66 1HB PRO 66 -10.352 -6.549 14.442 504 2HB PRO 66 2HB PRO 66 -9.752 -5.042 13.739 505 1HG PRO 66 1HG PRO 66 -12.551 -5.885 14.319 506 2HG PRO 66 2HG PRO 66 -11.817 -4.277 14.421 507 1HD PRO 66 1HD PRO 66 -13.380 -5.255 12.307 508 2HD PRO 66 2HD PRO 66 -12.368 -3.798 12.276 509 H ASP 67 H ASP 67 -12.533 -7.439 11.122 510 HA ASP 67 HA ASP 67 -12.493 -9.961 12.592 511 1HB ASP 67 1HB ASP 67 -14.601 -8.559 12.080 512 2HB ASP 67 2HB ASP 67 -14.470 -9.204 10.448 513 H TYR 68 H TYR 68 -10.909 -8.789 10.079 514 HA TYR 68 HA TYR 68 -10.652 -11.377 8.758 515 1HB TYR 68 1HB TYR 68 -12.147 -9.490 7.558 516 2HB TYR 68 2HB TYR 68 -10.558 -8.936 7.041 517 HD1 TYR 68 HD1 TYR 68 -13.232 -11.192 6.422 518 HD2 TYR 68 HD2 TYR 68 -9.048 -10.666 5.851 519 HE1 TYR 68 HE1 TYR 68 -13.278 -12.857 4.617 520 HE2 TYR 68 HE2 TYR 68 -9.081 -12.332 4.042 521 HH TYR 68 HH TYR 68 -11.746 -13.285 2.476 522 H THR 69 H THR 69 -8.537 -11.715 7.946 523 HA THR 69 HA THR 69 -6.568 -10.000 9.183 524 HB THR 69 HB THR 69 -6.119 -12.297 9.502 525 HG1 THR 69 HG1 THR 69 -4.105 -11.773 9.212 526 1HG2 THR 69 1HG2 THR 69 -6.177 -12.650 6.503 527 2HG2 THR 69 2HG2 THR 69 -7.404 -13.228 7.631 528 3HG2 THR 69 3HG2 THR 69 -5.775 -13.896 7.686 529 H TRP 70 H TRP 70 -5.130 -8.825 8.220 530 HA TRP 70 HA TRP 70 -5.333 -8.471 5.303 531 1HB TRP 70 1HB TRP 70 -4.675 -6.369 7.384 532 2HB TRP 70 2HB TRP 70 -4.728 -6.111 5.644 533 HD1 TRP 70 HD1 TRP 70 -7.024 -6.632 8.662 534 HE1 TRP 70 HE1 TRP 70 -9.406 -5.902 8.017 535 HE3 TRP 70 HE3 TRP 70 -6.297 -5.850 3.661 536 HZ2 TRP 70 HZ2 TRP 70 -10.790 -5.092 5.689 537 HZ3 TRP 70 HZ3 TRP 70 -8.203 -5.100 2.294 538 HH2 TRP 70 HH2 TRP 70 -10.402 -4.731 3.290 539 H GLN 71 H GLN 71 -3.576 -9.255 4.355 540 HA GLN 71 HA GLN 71 -1.041 -9.252 5.777 541 1HB GLN 71 1HB GLN 71 -1.777 -10.358 3.060 542 2HB GLN 71 2HB GLN 71 -0.195 -10.510 3.812 543 1HG GLN 71 1HG GLN 71 -1.295 -11.718 5.701 544 2HG GLN 71 2HG GLN 71 -2.788 -11.699 4.767 545 1HE2 GLN 71 1HE2 GLN 71 -2.880 -13.927 4.633 546 2HE2 GLN 71 2HE2 GLN 71 -1.800 -14.846 3.645 547 H VAL 72 H VAL 72 -0.148 -7.309 5.819 548 HA VAL 72 HA VAL 72 -0.246 -5.558 3.503 549 HB VAL 72 HB VAL 72 1.122 -5.073 6.161 550 1HG1 VAL 72 1HG1 VAL 72 0.921 -2.710 5.537 551 2HG1 VAL 72 2HG1 VAL 72 0.244 -3.189 3.981 552 3HG1 VAL 72 3HG1 VAL 72 1.903 -3.621 4.391 553 1HG2 VAL 72 1HG2 VAL 72 -1.252 -5.507 6.519 554 2HG2 VAL 72 2HG2 VAL 72 -1.667 -4.298 5.306 555 3HG2 VAL 72 3HG2 VAL 72 -0.871 -3.808 6.801 556 H ALA 73 H ALA 73 1.171 -6.009 1.942 557 HA ALA 73 HA ALA 73 3.843 -6.966 2.722 558 1HB ALA 73 1HB ALA 73 3.968 -8.027 0.538 559 2HB ALA 73 2HB ALA 73 2.401 -7.348 0.102 560 3HB ALA 73 3HB ALA 73 2.512 -8.547 1.391 561 H ILE 74 H ILE 74 5.642 -5.991 1.941 562 HA ILE 74 HA ILE 74 5.247 -3.603 0.265 563 HB ILE 74 HB ILE 74 7.398 -2.763 1.217 564 1HG1 ILE 74 1HG1 ILE 74 7.038 -5.063 3.154 565 2HG1 ILE 74 2HG1 ILE 74 8.333 -4.902 1.972 566 1HG2 ILE 74 1HG2 ILE 74 5.179 -3.278 3.189 567 2HG2 ILE 74 2HG2 ILE 74 5.276 -1.942 2.044 568 3HG2 ILE 74 3HG2 ILE 74 6.438 -2.058 3.363 569 1HD1 ILE 74 1HD1 ILE 74 7.848 -3.080 4.317 570 2HD1 ILE 74 2HD1 ILE 74 9.148 -2.924 3.140 571 3HD1 ILE 74 3HD1 ILE 74 9.084 -4.327 4.205 572 H ALA 75 H ALA 75 6.581 -3.332 -1.503 573 HA ALA 75 HA ALA 75 7.756 -5.830 -2.446 574 1HB ALA 75 1HB ALA 75 6.142 -4.708 -3.884 575 2HB ALA 75 2HB ALA 75 7.727 -4.792 -4.653 576 3HB ALA 75 3HB ALA 75 7.173 -3.279 -3.938 577 H ASP 76 H ASP 76 9.780 -5.911 -3.501 578 HA ASP 76 HA ASP 76 11.943 -4.692 -2.240 579 1HB ASP 76 1HB ASP 76 12.270 -6.762 -3.377 580 2HB ASP 76 2HB ASP 76 11.683 -6.094 -4.894 581 H LEU 77 H LEU 77 13.597 -3.322 -3.250 582 HA LEU 77 HA LEU 77 12.533 -0.801 -3.815 583 1HB LEU 77 1HB LEU 77 14.801 -1.348 -2.847 584 2HB LEU 77 2HB LEU 77 15.328 -1.746 -4.466 585 HG LEU 77 HG LEU 77 14.278 0.992 -3.786 586 1HD1 LEU 77 1HD1 LEU 77 16.111 0.524 -2.260 587 2HD1 LEU 77 2HD1 LEU 77 16.611 1.690 -3.486 588 3HD1 LEU 77 3HD1 LEU 77 17.122 0.006 -3.609 589 1HD2 LEU 77 1HD2 LEU 77 14.438 0.429 -6.166 590 2HD2 LEU 77 2HD2 LEU 77 16.134 -0.002 -5.952 591 3HD2 LEU 77 3HD2 LEU 77 15.611 1.667 -5.721 592 H GLU 78 H GLU 78 14.284 -2.997 -6.021 593 HA GLU 78 HA GLU 78 13.681 -1.358 -8.300 594 1HB GLU 78 1HB GLU 78 14.854 -4.132 -8.129 595 2HB GLU 78 2HB GLU 78 14.780 -3.154 -9.586 596 1HG GLU 78 1HG GLU 78 16.239 -1.502 -8.580 597 2HG GLU 78 2HG GLU 78 16.270 -2.424 -7.077 598 H GLN 79 H GLN 79 12.461 -4.320 -6.899 599 HA GLN 79 HA GLN 79 10.971 -5.080 -9.199 600 1HB GLN 79 1HB GLN 79 10.966 -6.071 -6.355 601 2HB GLN 79 2HB GLN 79 9.963 -6.776 -7.619 602 1HG GLN 79 1HG GLN 79 11.907 -7.380 -8.897 603 2HG GLN 79 2HG GLN 79 12.961 -6.548 -7.758 604 1HE2 GLN 79 1HE2 GLN 79 13.453 -7.509 -5.820 605 2HE2 GLN 79 2HE2 GLN 79 13.100 -9.168 -5.477 606 H SER 80 H SER 80 10.259 -3.000 -6.495 607 HA SER 80 HA SER 80 7.429 -3.099 -6.792 608 1HB SER 80 1HB SER 80 7.476 -0.906 -5.550 609 2HB SER 80 2HB SER 80 8.299 -2.232 -4.730 610 HG SER 80 HG SER 80 10.217 -1.331 -5.146 611 H GLU 81 H GLU 81 9.968 -1.033 -8.122 612 HA GLU 81 HA GLU 81 8.348 0.671 -9.631 613 1HB GLU 81 1HB GLU 81 11.139 -0.326 -10.224 614 2HB GLU 81 2HB GLU 81 10.369 1.050 -10.989 615 1HG GLU 81 1HG GLU 81 10.153 2.072 -8.708 616 2HG GLU 81 2HG GLU 81 11.171 0.764 -8.110 617 H ALA 82 H ALA 82 9.723 -2.488 -10.343 618 HA ALA 82 HA ALA 82 8.756 -2.762 -12.971 619 1HB ALA 82 1HB ALA 82 9.145 -4.986 -10.957 620 2HB ALA 82 2HB ALA 82 10.440 -4.262 -11.914 621 3HB ALA 82 3HB ALA 82 9.130 -5.130 -12.716 622 H ILE 83 H ILE 83 7.310 -3.732 -9.853 623 HA ILE 83 HA ILE 83 4.966 -4.872 -10.864 624 HB ILE 83 HB ILE 83 5.446 -3.450 -8.241 625 1HG1 ILE 83 1HG1 ILE 83 5.232 -6.390 -8.919 626 2HG1 ILE 83 2HG1 ILE 83 6.743 -5.525 -8.672 627 1HG2 ILE 83 1HG2 ILE 83 3.064 -3.378 -8.740 628 2HG2 ILE 83 2HG2 ILE 83 3.384 -4.517 -7.432 629 3HG2 ILE 83 3HG2 ILE 83 3.061 -5.112 -9.061 630 1HD1 ILE 83 1HD1 ILE 83 4.594 -5.981 -6.619 631 2HD1 ILE 83 2HD1 ILE 83 6.073 -5.057 -6.357 632 3HD1 ILE 83 3HD1 ILE 83 6.161 -6.785 -6.702 633 H GLY 84 H GLY 84 5.693 -1.501 -10.024 634 1HA GLY 84 1HA GLY 84 3.159 -0.413 -10.531 635 2HA GLY 84 2HA GLY 84 4.683 0.452 -10.697 636 H ASP 85 H ASP 85 5.956 -0.667 -12.710 637 HA ASP 85 HA ASP 85 4.748 0.274 -15.043 638 1HB ASP 85 1HB ASP 85 7.204 -0.177 -14.689 639 2HB ASP 85 2HB ASP 85 6.852 -1.892 -14.844 640 H ARG 86 H ARG 86 4.889 -2.922 -13.651 641 HA ARG 86 HA ARG 86 3.781 -4.414 -15.747 642 1HB ARG 86 1HB ARG 86 5.031 -5.496 -14.061 643 2HB ARG 86 2HB ARG 86 4.048 -4.811 -12.783 644 1HG ARG 86 1HG ARG 86 2.193 -6.249 -13.427 645 2HG ARG 86 2HG ARG 86 3.168 -6.921 -14.742 646 1HD ARG 86 1HD ARG 86 4.736 -7.851 -13.216 647 2HD ARG 86 2HD ARG 86 4.035 -6.976 -11.859 648 HE ARG 86 HE ARG 86 1.994 -8.435 -12.318 649 1HH1 ARG 86 1HH1 ARG 86 5.271 -9.445 -13.025 650 2HH1 ARG 86 2HH1 ARG 86 4.966 -11.119 -12.684 651 1HH2 ARG 86 1HH2 ARG 86 1.585 -10.649 -11.867 652 2HH2 ARG 86 2HH2 ARG 86 2.877 -11.809 -12.034 653 H PHE 87 H PHE 87 2.292 -2.636 -13.113 654 HA PHE 87 HA PHE 87 -0.303 -3.845 -13.685 655 1HB PHE 87 1HB PHE 87 0.555 -3.521 -11.331 656 2HB PHE 87 2HB PHE 87 0.342 -1.791 -11.568 657 HD1 PHE 87 HD1 PHE 87 -1.583 -4.970 -11.908 658 HD2 PHE 87 HD2 PHE 87 -1.630 -0.844 -10.864 659 HE1 PHE 87 HE1 PHE 87 -3.929 -5.177 -11.197 660 HE2 PHE 87 HE2 PHE 87 -3.975 -1.044 -10.154 661 HZ PHE 87 HZ PHE 87 -5.128 -3.214 -10.318 662 H GLY 88 H GLY 88 1.437 -0.895 -14.189 663 1HA GLY 88 1HA GLY 88 0.697 0.590 -15.967 664 2HA GLY 88 2HA GLY 88 -0.960 0.247 -15.486 665 H VAL 89 H VAL 89 1.361 0.702 -13.019 666 HA VAL 89 HA VAL 89 0.407 3.448 -12.527 667 HB VAL 89 HB VAL 89 0.929 1.378 -10.379 668 1HG1 VAL 89 1HG1 VAL 89 -0.310 4.126 -10.253 669 2HG1 VAL 89 2HG1 VAL 89 1.284 3.675 -9.650 670 3HG1 VAL 89 3HG1 VAL 89 -0.166 3.007 -8.900 671 1HG2 VAL 89 1HG2 VAL 89 -1.055 0.754 -11.691 672 2HG2 VAL 89 2HG2 VAL 89 -1.729 2.362 -11.430 673 3HG2 VAL 89 3HG2 VAL 89 -1.498 1.271 -10.065 674 H PHE 90 H PHE 90 2.397 4.072 -13.602 675 HA PHE 90 HA PHE 90 4.870 3.208 -12.306 676 1HB PHE 90 1HB PHE 90 4.640 3.033 -14.789 677 2HB PHE 90 2HB PHE 90 4.544 4.788 -14.865 678 HD1 PHE 90 HD1 PHE 90 6.732 1.969 -13.898 679 HD2 PHE 90 HD2 PHE 90 6.482 6.104 -14.861 680 HE1 PHE 90 HE1 PHE 90 9.186 2.089 -13.997 681 HE2 PHE 90 HE2 PHE 90 8.937 6.233 -14.968 682 HZ PHE 90 HZ PHE 90 10.289 4.224 -14.533 683 H ARG 91 H ARG 91 5.853 4.391 -10.920 684 HA ARG 91 HA ARG 91 6.729 6.105 -9.754 685 1HB ARG 91 1HB ARG 91 7.142 7.057 -12.119 686 2HB ARG 91 2HB ARG 91 5.761 8.100 -11.792 687 1HG ARG 91 1HG ARG 91 6.882 8.992 -9.823 688 2HG ARG 91 2HG ARG 91 8.254 7.924 -10.108 689 1HD ARG 91 1HD ARG 91 8.513 9.056 -12.348 690 2HD ARG 91 2HD ARG 91 7.327 10.241 -11.794 691 HE ARG 91 HE ARG 91 9.679 9.771 -10.116 692 1HH1 ARG 91 1HH1 ARG 91 8.011 11.896 -12.368 693 2HH1 ARG 91 2HH1 ARG 91 8.999 13.272 -11.969 694 1HH2 ARG 91 1HH2 ARG 91 10.937 11.547 -9.596 695 2HH2 ARG 91 2HH2 ARG 91 10.662 13.074 -10.389 696 H PHE 92 H PHE 92 3.907 5.232 -9.553 697 HA PHE 92 HA PHE 92 2.959 7.587 -8.053 698 1HB PHE 92 1HB PHE 92 1.309 5.277 -9.111 699 2HB PHE 92 2HB PHE 92 0.693 6.616 -8.152 700 HD1 PHE 92 HD1 PHE 92 1.557 5.448 -11.432 701 HD2 PHE 92 HD2 PHE 92 0.723 8.924 -9.128 702 HE1 PHE 92 HE1 PHE 92 1.108 6.702 -13.502 703 HE2 PHE 92 HE2 PHE 92 0.272 10.187 -11.192 704 HZ PHE 92 HZ PHE 92 0.463 9.077 -13.381 705 HA PRO 93 HA PRO 93 4.144 4.498 -4.871 706 1HB PRO 93 1HB PRO 93 5.069 6.295 -3.079 707 2HB PRO 93 2HB PRO 93 6.061 5.665 -4.398 708 1HG PRO 93 1HG PRO 93 4.622 8.273 -4.190 709 2HG PRO 93 2HG PRO 93 6.224 7.921 -4.851 710 1HD PRO 93 1HD PRO 93 4.000 8.289 -6.392 711 2HD PRO 93 2HD PRO 93 5.385 7.297 -6.888 712 H ALA 94 H ALA 94 2.631 3.779 -3.594 713 HA ALA 94 HA ALA 94 1.173 5.245 -1.699 714 1HB ALA 94 1HB ALA 94 -0.412 4.611 -4.188 715 2HB ALA 94 2HB ALA 94 0.095 6.223 -3.687 716 3HB ALA 94 3HB ALA 94 -1.039 5.308 -2.694 717 H THR 95 H THR 95 -1.018 3.877 -1.226 718 HA THR 95 HA THR 95 -0.131 1.079 -1.052 719 HB THR 95 HB THR 95 -2.283 2.466 0.563 720 HG1 THR 95 HG1 THR 95 0.485 2.307 0.853 721 1HG2 THR 95 1HG2 THR 95 -2.520 0.024 0.442 722 2HG2 THR 95 2HG2 THR 95 -2.064 0.545 2.063 723 3HG2 THR 95 3HG2 THR 95 -0.856 -0.166 0.993 724 H LEU 96 H LEU 96 -1.136 -0.400 -2.272 725 HA LEU 96 HA LEU 96 -3.557 0.399 -3.704 726 1HB LEU 96 1HB LEU 96 -1.713 -1.963 -4.094 727 2HB LEU 96 2HB LEU 96 -3.149 -1.665 -5.052 728 HG LEU 96 HG LEU 96 -2.039 0.587 -5.651 729 1HD1 LEU 96 1HD1 LEU 96 0.421 0.517 -5.617 730 2HD1 LEU 96 2HD1 LEU 96 0.344 -0.953 -4.643 731 3HD1 LEU 96 3HD1 LEU 96 -0.283 0.567 -4.000 732 1HD2 LEU 96 1HD2 LEU 96 -0.797 -0.464 -7.482 733 2HD2 LEU 96 2HD2 LEU 96 -2.363 -1.237 -7.230 734 3HD2 LEU 96 3HD2 LEU 96 -0.891 -2.016 -6.651 735 H VAL 97 H VAL 97 -5.502 -0.457 -3.371 736 HA VAL 97 HA VAL 97 -5.699 -2.719 -1.500 737 HB VAL 97 HB VAL 97 -6.506 -0.713 -0.400 738 1HG1 VAL 97 1HG1 VAL 97 -8.397 0.576 -1.237 739 2HG1 VAL 97 2HG1 VAL 97 -8.433 -0.410 -2.697 740 3HG1 VAL 97 3HG1 VAL 97 -7.045 0.623 -2.368 741 1HG2 VAL 97 1HG2 VAL 97 -8.755 -2.535 -1.238 742 2HG2 VAL 97 2HG2 VAL 97 -8.814 -1.411 0.118 743 3HG2 VAL 97 3HG2 VAL 97 -7.671 -2.753 0.136 744 H PHE 98 H PHE 98 -6.684 -4.468 -2.238 745 HA PHE 98 HA PHE 98 -8.586 -4.264 -4.430 746 1HB PHE 98 1HB PHE 98 -7.272 -6.274 -5.496 747 2HB PHE 98 2HB PHE 98 -6.773 -4.619 -5.817 748 HD1 PHE 98 HD1 PHE 98 -4.682 -3.781 -5.023 749 HD2 PHE 98 HD2 PHE 98 -5.971 -7.704 -3.976 750 HE1 PHE 98 HE1 PHE 98 -2.421 -4.304 -4.219 751 HE2 PHE 98 HE2 PHE 98 -3.707 -8.225 -3.160 752 HZ PHE 98 HZ PHE 98 -1.929 -6.524 -3.284 753 H THR 99 H THR 99 -10.231 -5.629 -4.197 754 HA THR 99 HA THR 99 -10.120 -7.531 -1.985 755 HB THR 99 HB THR 99 -12.579 -7.708 -2.326 756 HG1 THR 99 HG1 THR 99 -12.407 -7.102 -4.629 757 1HG2 THR 99 1HG2 THR 99 -11.677 -6.060 -0.753 758 2HG2 THR 99 2HG2 THR 99 -13.136 -5.456 -1.539 759 3HG2 THR 99 3HG2 THR 99 -11.551 -4.879 -2.059 760 H GLY 100 H GLY 100 -9.867 -9.639 -2.307 761 1HA GLY 100 1HA GLY 100 -9.634 -11.656 -3.375 762 2HA GLY 100 2HA GLY 100 -11.032 -11.171 -4.321 763 H GLY 101 H GLY 101 -8.058 -9.346 -4.391 764 1HA GLY 101 1HA GLY 101 -6.407 -9.191 -6.011 765 2HA GLY 101 2HA GLY 101 -7.081 -10.613 -6.790 766 H ASN 102 H ASN 102 -9.448 -8.287 -6.173 767 HA ASN 102 HA ASN 102 -9.339 -7.378 -8.969 768 1HB ASN 102 1HB ASN 102 -11.663 -7.261 -7.047 769 2HB ASN 102 2HB ASN 102 -11.709 -6.848 -8.752 770 1HD2 ASN 102 1HD2 ASN 102 -9.966 -9.105 -9.461 771 2HD2 ASN 102 2HD2 ASN 102 -10.959 -10.520 -9.362 772 H TYR 103 H TYR 103 -9.037 -5.287 -9.438 773 HA TYR 103 HA TYR 103 -7.903 -3.628 -7.453 774 1HB TYR 103 1HB TYR 103 -7.099 -3.542 -9.727 775 2HB TYR 103 2HB TYR 103 -8.688 -3.070 -10.316 776 HD1 TYR 103 HD1 TYR 103 -9.183 -0.822 -10.610 777 HD2 TYR 103 HD2 TYR 103 -5.951 -1.902 -8.066 778 HE1 TYR 103 HE1 TYR 103 -8.567 1.547 -10.397 779 HE2 TYR 103 HE2 TYR 103 -5.333 0.468 -7.842 780 HH TYR 103 HH TYR 103 -7.357 3.016 -8.962 781 H ARG 104 H ARG 104 -8.832 -2.312 -6.081 782 HA ARG 104 HA ARG 104 -11.551 -1.333 -6.601 783 1HB ARG 104 1HB ARG 104 -9.920 -1.476 -4.060 784 2HB ARG 104 2HB ARG 104 -11.490 -0.695 -4.171 785 1HG ARG 104 1HG ARG 104 -10.998 -3.593 -4.798 786 2HG ARG 104 2HG ARG 104 -11.552 -2.989 -3.235 787 1HD ARG 104 1HD ARG 104 -13.490 -1.933 -4.446 788 2HD ARG 104 2HD ARG 104 -12.973 -2.810 -5.887 789 HE ARG 104 HE ARG 104 -13.306 -4.878 -4.559 790 1HH1 ARG 104 1HH1 ARG 104 -14.977 -1.938 -3.660 791 2HH1 ARG 104 2HH1 ARG 104 -16.236 -2.769 -2.798 792 1HH2 ARG 104 1HH2 ARG 104 -14.969 -5.970 -3.450 793 2HH2 ARG 104 2HH2 ARG 104 -16.230 -5.062 -2.676 794 H GLY 105 H GLY 105 -8.409 -0.235 -5.366 795 1HA GLY 105 1HA GLY 105 -8.252 2.070 -6.928 796 2HA GLY 105 2HA GLY 105 -9.001 2.519 -5.400 797 H VAL 106 H VAL 106 -6.866 3.828 -5.549 798 HA VAL 106 HA VAL 106 -4.885 2.331 -3.995 799 HB VAL 106 HB VAL 106 -4.019 2.522 -6.273 800 1HG1 VAL 106 1HG1 VAL 106 -5.210 4.513 -7.000 801 2HG1 VAL 106 2HG1 VAL 106 -3.474 4.688 -7.256 802 3HG1 VAL 106 3HG1 VAL 106 -4.252 5.503 -5.897 803 1HG2 VAL 106 1HG2 VAL 106 -2.572 4.337 -4.350 804 2HG2 VAL 106 2HG2 VAL 106 -1.868 3.555 -5.765 805 3HG2 VAL 106 3HG2 VAL 106 -2.442 2.580 -4.414 806 H LEU 107 H LEU 107 -4.137 3.360 -2.222 807 HA LEU 107 HA LEU 107 -5.501 5.817 -1.497 808 1HB LEU 107 1HB LEU 107 -3.701 3.955 0.048 809 2HB LEU 107 2HB LEU 107 -4.407 5.408 0.730 810 HG LEU 107 HG LEU 107 -5.968 3.054 -0.341 811 1HD1 LEU 107 1HD1 LEU 107 -6.526 2.643 2.012 812 2HD1 LEU 107 2HD1 LEU 107 -5.424 3.934 2.493 813 3HD1 LEU 107 3HD1 LEU 107 -4.796 2.485 1.709 814 1HD2 LEU 107 1HD2 LEU 107 -7.145 5.186 -0.589 815 2HD2 LEU 107 2HD2 LEU 107 -6.892 5.525 1.123 816 3HD2 LEU 107 3HD2 LEU 107 -7.904 4.167 0.634 817 H ASN 108 H ASN 108 -4.568 7.497 -2.552 818 HA ASN 108 HA ASN 108 -1.799 8.107 -1.780 819 1HB ASN 108 1HB ASN 108 -1.297 8.991 -3.964 820 2HB ASN 108 2HB ASN 108 -1.896 7.350 -4.162 821 1HD2 ASN 108 1HD2 ASN 108 -3.995 7.038 -5.002 822 2HD2 ASN 108 2HD2 ASN 108 -4.762 8.261 -5.956 823 H GLY 109 H GLY 109 -1.317 10.433 -1.813 824 1HA GLY 109 1HA GLY 109 -1.924 12.677 -1.589 825 2HA GLY 109 2HA GLY 109 -3.612 12.218 -1.777 826 H ILE 110 H ILE 110 -2.561 10.070 0.335 827 HA ILE 110 HA ILE 110 -2.656 9.716 2.558 828 HB ILE 110 HB ILE 110 -2.061 12.663 2.841 829 1HG1 ILE 110 1HG1 ILE 110 -0.339 11.528 1.522 830 2HG1 ILE 110 2HG1 ILE 110 0.284 11.953 3.110 831 1HG2 ILE 110 1HG2 ILE 110 -2.922 11.739 4.897 832 2HG2 ILE 110 2HG2 ILE 110 -1.189 12.020 5.060 833 3HG2 ILE 110 3HG2 ILE 110 -1.796 10.385 4.800 834 1HD1 ILE 110 1HD1 ILE 110 -0.635 9.225 2.247 835 2HD1 ILE 110 2HD1 ILE 110 -0.036 9.645 3.850 836 3HD1 ILE 110 3HD1 ILE 110 1.036 9.750 2.453 837 H HIS 111 H HIS 111 -3.914 13.034 2.642 838 HA HIS 111 HA HIS 111 -5.935 13.910 3.207 839 1HB HIS 111 1HB HIS 111 -6.970 11.083 2.895 840 2HB HIS 111 2HB HIS 111 -7.980 12.490 3.197 841 HD1 HIS 111 HD1 HIS 111 -6.122 10.708 0.532 842 HD2 HIS 111 HD2 HIS 111 -8.257 14.240 0.989 843 HE1 HIS 111 HE1 HIS 111 -6.566 11.532 -1.798 844 HE2 HIS 111 HE2 HIS 111 -8.099 13.508 -1.485 845 HA PRO 112 HA PRO 112 -6.149 13.435 7.612 846 1HB PRO 112 1HB PRO 112 -9.019 14.089 7.522 847 2HB PRO 112 2HB PRO 112 -7.694 14.962 8.295 848 1HG PRO 112 1HG PRO 112 -8.902 15.898 6.090 849 2HG PRO 112 2HG PRO 112 -7.167 16.131 6.378 850 1HD PRO 112 1HD PRO 112 -8.549 14.163 4.591 851 2HD PRO 112 2HD PRO 112 -7.070 15.106 4.302 852 H TRP 113 H TRP 113 -6.991 12.074 9.249 853 HA TRP 113 HA TRP 113 -7.577 9.470 8.498 854 1HB TRP 113 1HB TRP 113 -6.607 10.036 10.646 855 2HB TRP 113 2HB TRP 113 -8.064 10.894 11.118 856 HD1 TRP 113 HD1 TRP 113 -8.908 9.526 13.103 857 HE1 TRP 113 HE1 TRP 113 -9.545 7.062 13.507 858 HE3 TRP 113 HE3 TRP 113 -7.351 7.543 8.647 859 HZ2 TRP 113 HZ2 TRP 113 -9.433 4.625 12.111 860 HZ3 TRP 113 HZ3 TRP 113 -7.662 5.133 8.267 861 HH2 TRP 113 HH2 TRP 113 -8.680 3.706 9.965 862 H ALA 114 H ALA 114 -9.766 12.070 9.454 863 HA ALA 114 HA ALA 114 -12.161 10.656 9.559 864 1HB ALA 114 1HB ALA 114 -11.770 13.478 8.577 865 2HB ALA 114 2HB ALA 114 -11.891 12.994 10.268 866 3HB ALA 114 3HB ALA 114 -13.268 12.775 9.187 867 H GLU 115 H GLU 115 -10.528 12.102 6.769 868 HA GLU 115 HA GLU 115 -12.604 11.298 4.938 869 1HB GLU 115 1HB GLU 115 -10.007 12.742 4.710 870 2HB GLU 115 2HB GLU 115 -10.678 12.006 3.261 871 1HG GLU 115 1HG GLU 115 -11.270 14.379 3.510 872 2HG GLU 115 2HG GLU 115 -12.677 13.320 3.456 873 H LEU 116 H LEU 116 -9.553 10.055 6.056 874 HA LEU 116 HA LEU 116 -9.078 8.207 3.982 875 1HB LEU 116 1HB LEU 116 -7.411 8.925 5.693 876 2HB LEU 116 2HB LEU 116 -8.271 7.962 6.879 877 HG LEU 116 HG LEU 116 -7.765 5.927 5.608 878 1HD1 LEU 116 1HD1 LEU 116 -6.235 5.982 3.723 879 2HD1 LEU 116 2HD1 LEU 116 -6.165 7.742 3.805 880 3HD1 LEU 116 3HD1 LEU 116 -7.674 6.938 3.372 881 1HD2 LEU 116 1HD2 LEU 116 -6.240 6.669 7.365 882 2HD2 LEU 116 2HD2 LEU 116 -5.332 7.611 6.183 883 3HD2 LEU 116 3HD2 LEU 116 -5.374 5.852 6.067 884 H ILE 117 H ILE 117 -10.817 7.938 7.053 885 HA ILE 117 HA ILE 117 -11.602 5.260 6.889 886 HB ILE 117 HB ILE 117 -13.138 7.609 8.024 887 1HG1 ILE 117 1HG1 ILE 117 -11.357 5.572 9.382 888 2HG1 ILE 117 2HG1 ILE 117 -10.916 7.242 9.042 889 1HG2 ILE 117 1HG2 ILE 117 -13.536 4.655 8.488 890 2HG2 ILE 117 2HG2 ILE 117 -14.619 5.724 7.598 891 3HG2 ILE 117 3HG2 ILE 117 -14.379 5.955 9.329 892 1HD1 ILE 117 1HD1 ILE 117 -12.729 7.996 10.517 893 2HD1 ILE 117 2HD1 ILE 117 -11.548 6.989 11.356 894 3HD1 ILE 117 3HD1 ILE 117 -13.108 6.313 10.886 895 H ASN 118 H ASN 118 -13.140 8.180 5.651 896 HA ASN 118 HA ASN 118 -15.428 7.140 4.480 897 1HB ASN 118 1HB ASN 118 -14.941 9.538 4.690 898 2HB ASN 118 2HB ASN 118 -13.661 9.394 3.506 899 1HD2 ASN 118 1HD2 ASN 118 -14.583 10.894 2.170 900 2HD2 ASN 118 2HD2 ASN 118 -15.991 10.561 1.216 901 H LEU 119 H LEU 119 -12.356 7.856 2.906 902 HA LEU 119 HA LEU 119 -12.931 6.723 0.425 903 1HB LEU 119 1HB LEU 119 -10.252 6.974 1.793 904 2HB LEU 119 2HB LEU 119 -10.492 6.667 0.087 905 HG LEU 119 HG LEU 119 -11.333 9.176 1.541 906 1HD1 LEU 119 1HD1 LEU 119 -8.915 9.008 1.339 907 2HD1 LEU 119 2HD1 LEU 119 -9.544 10.248 0.256 908 3HD1 LEU 119 3HD1 LEU 119 -9.067 8.676 -0.385 909 1HD2 LEU 119 1HD2 LEU 119 -11.821 10.050 -0.684 910 2HD2 LEU 119 2HD2 LEU 119 -12.808 8.630 -0.335 911 3HD2 LEU 119 3HD2 LEU 119 -11.407 8.493 -1.397 912 H MET 120 H MET 120 -11.350 5.258 3.253 913 HA MET 120 HA MET 120 -10.647 2.801 2.168 914 1HB MET 120 1HB MET 120 -10.020 3.575 4.433 915 2HB MET 120 2HB MET 120 -11.678 3.325 4.963 916 1HG MET 120 1HG MET 120 -10.251 1.493 5.657 917 2HG MET 120 2HG MET 120 -11.476 0.943 4.517 918 1HE MET 120 1HE MET 120 -10.117 -1.303 4.152 919 2HE MET 120 2HE MET 120 -8.870 -0.760 5.276 920 3HE MET 120 3HE MET 120 -8.419 -1.360 3.681 921 H ARG 121 H ARG 121 -13.703 3.641 3.822 922 HA ARG 121 HA ARG 121 -14.904 1.134 3.465 923 1HB ARG 121 1HB ARG 121 -16.071 3.871 3.956 924 2HB ARG 121 2HB ARG 121 -16.965 2.376 4.061 925 1HG ARG 121 1HG ARG 121 -15.504 1.616 5.867 926 2HG ARG 121 2HG ARG 121 -14.612 3.134 5.760 927 1HD ARG 121 1HD ARG 121 -16.679 4.357 6.312 928 2HD ARG 121 2HD ARG 121 -17.523 2.817 6.480 929 HE ARG 121 HE ARG 121 -15.245 2.831 8.141 930 1HH1 ARG 121 1HH1 ARG 121 -18.429 4.293 7.919 931 2HH1 ARG 121 2HH1 ARG 121 -18.564 4.533 9.636 932 1HH2 ARG 121 1HH2 ARG 121 -15.408 3.145 10.363 933 2HH2 ARG 121 2HH2 ARG 121 -16.859 3.855 11.040 934 H GLY 122 H GLY 122 -14.796 4.038 1.499 935 1HA GLY 122 1HA GLY 122 -16.844 3.238 -0.321 936 2HA GLY 122 2HA GLY 122 -15.653 4.503 -0.586 937 H LEU 123 H LEU 123 -13.409 2.642 -0.107 938 HA LEU 123 HA LEU 123 -13.279 1.639 -2.821 939 1HB LEU 123 1HB LEU 123 -11.220 1.784 -0.627 940 2HB LEU 123 2HB LEU 123 -10.902 1.138 -2.225 941 HG LEU 123 HG LEU 123 -11.709 3.980 -1.597 942 1HD1 LEU 123 1HD1 LEU 123 -9.426 3.466 -0.919 943 2HD1 LEU 123 2HD1 LEU 123 -9.452 4.548 -2.312 944 3HD1 LEU 123 3HD1 LEU 123 -9.083 2.837 -2.531 945 1HD2 LEU 123 1HD2 LEU 123 -12.583 3.238 -3.756 946 2HD2 LEU 123 2HD2 LEU 123 -10.972 2.691 -4.225 947 3HD2 LEU 123 3HD2 LEU 123 -11.278 4.409 -3.966 948 H VAL 124 H VAL 124 -12.831 0.269 0.461 949 HA VAL 124 HA VAL 124 -12.403 -2.369 -0.531 950 HB VAL 124 HB VAL 124 -11.560 -1.558 1.677 951 1HG1 VAL 124 1HG1 VAL 124 -14.426 -1.913 2.537 952 2HG1 VAL 124 2HG1 VAL 124 -13.538 -0.392 2.462 953 3HG1 VAL 124 3HG1 VAL 124 -13.056 -1.639 3.614 954 1HG2 VAL 124 1HG2 VAL 124 -11.601 -3.935 1.127 955 2HG2 VAL 124 2HG2 VAL 124 -13.239 -4.061 1.771 956 3HG2 VAL 124 3HG2 VAL 124 -11.897 -3.670 2.847 957 H GLU 125 H GLU 125 -15.167 -0.573 0.526 958 HA GLU 125 HA GLU 125 -17.379 -1.369 0.926 959 1HB GLU 125 1HB GLU 125 -17.266 0.207 -0.846 960 2HB GLU 125 2HB GLU 125 -16.723 -1.014 -1.983 961 1HG GLU 125 1HG GLU 125 -18.930 -2.132 -1.746 962 2HG GLU 125 2HG GLU 125 -19.452 -0.780 -0.741 963 HA PRO 126 HA PRO 126 -17.664 -5.883 0.185 964 1HB PRO 126 1HB PRO 126 -19.700 -6.140 2.007 965 2HB PRO 126 2HB PRO 126 -17.987 -6.284 2.421 966 1HG PRO 126 1HG PRO 126 -19.823 -3.943 2.726 967 2HG PRO 126 2HG PRO 126 -18.593 -4.548 3.849 968 1HD PRO 126 1HD PRO 126 -18.161 -2.403 2.278 969 2HD PRO 126 2HD PRO 126 -16.861 -3.544 2.676 970 H GLN 127 H GLN 127 -18.659 -6.035 -1.743 971 HA GLN 127 HA GLN 127 -20.781 -4.225 -2.352 972 1HB GLN 127 1HB GLN 127 -19.226 -6.173 -3.960 973 2HB GLN 127 2HB GLN 127 -20.571 -5.279 -4.625 974 1HG GLN 127 1HG GLN 127 -19.386 -3.186 -3.819 975 2HG GLN 127 2HG GLN 127 -17.976 -4.216 -3.583 976 1HE2 GLN 127 1HE2 GLN 127 -18.518 -1.940 -5.378 977 2HE2 GLN 127 2HE2 GLN 127 -18.151 -2.526 -6.977 978 H GLN 128 H GLN 128 -22.089 -5.344 -0.763 979 HA GLN 128 HA GLN 128 -23.909 -7.095 -2.222 980 1HB GLN 128 1HB GLN 128 -25.110 -7.336 -0.032 981 2HB GLN 128 2HB GLN 128 -23.470 -7.966 -0.015 982 1HG GLN 128 1HG GLN 128 -22.742 -5.815 1.033 983 2HG GLN 128 2HG GLN 128 -24.446 -5.380 1.165 984 1HE2 GLN 128 1HE2 GLN 128 -24.374 -5.310 3.385 985 2HE2 GLN 128 2HE2 GLN 128 -24.260 -6.741 4.362 986 H GLU 129 H GLU 129 -23.393 -4.642 -3.017 987 HA GLU 129 HA GLU 129 -25.846 -3.111 -2.541 988 1HB GLU 129 1HB GLU 129 -24.032 -2.094 -1.207 989 2HB GLU 129 2HB GLU 129 -23.021 -2.003 -2.637 990 1HG GLU 129 1HG GLU 129 -24.001 0.156 -2.035 991 2HG GLU 129 2HG GLU 129 -24.506 -0.385 -3.636 992 H ARG 130 H ARG 130 -26.306 -1.645 -4.390 993 HA ARG 130 HA ARG 130 -25.531 -3.032 -6.848 994 1HB ARG 130 1HB ARG 130 -27.748 -1.038 -6.348 995 2HB ARG 130 2HB ARG 130 -27.480 -1.917 -7.850 996 1HG ARG 130 1HG ARG 130 -27.941 -4.017 -6.742 997 2HG ARG 130 2HG ARG 130 -28.102 -3.189 -5.192 998 1HD ARG 130 1HD ARG 130 -30.293 -3.660 -6.097 999 2HD ARG 130 2HD ARG 130 -30.010 -1.920 -6.103 1000 HE ARG 130 HE ARG 130 -29.239 -2.862 -8.594 1001 1HH1 ARG 130 1HH1 ARG 130 -32.165 -2.682 -6.686 1002 2HH1 ARG 130 2HH1 ARG 130 -33.219 -2.639 -8.067 1003 1HH2 ARG 130 1HH2 ARG 130 -30.606 -2.796 -10.420 1004 2HH2 ARG 130 2HH2 ARG 130 -32.331 -2.687 -10.198 1005 H ALA 131 H ALA 131 -23.494 -2.145 -7.116 1006 HA ALA 131 HA ALA 131 -21.892 -0.581 -7.647 1007 1HB ALA 131 1HB ALA 131 -22.810 -1.436 -9.739 1008 2HB ALA 131 2HB ALA 131 -22.220 0.216 -9.904 1009 3HB ALA 131 3HB ALA 131 -23.950 -0.093 -9.781 1010 H SER 132 H SER 132 -21.876 0.922 -5.953 1011 HA SER 132 HA SER 132 -23.032 3.514 -6.693 1012 1HB SER 132 1HB SER 132 -24.403 2.324 -4.904 1013 2HB SER 132 2HB SER 132 -23.004 2.498 -3.846 1014 HG SER 132 HG SER 132 -24.188 4.702 -5.183 Start of MODEL 14 1 1H MET 1 1H MET 1 24.500 8.620 -7.931 2 HA MET 1 HA MET 1 22.590 9.471 -9.837 3 1HB MET 1 1HB MET 1 22.413 7.093 -10.437 4 2HB MET 1 2HB MET 1 22.064 6.687 -8.763 5 1HG MET 1 1HG MET 1 20.013 8.071 -8.913 6 2HG MET 1 2HG MET 1 20.352 8.315 -10.626 7 1HE MET 1 1HE MET 1 20.117 4.641 -11.996 8 2HE MET 1 2HE MET 1 21.552 5.499 -11.441 9 3HE MET 1 3HE MET 1 20.357 6.334 -12.432 10 H SER 2 H SER 2 22.148 7.441 -6.946 11 HA SER 2 HA SER 2 21.336 9.804 -5.433 12 1HB SER 2 1HB SER 2 19.588 7.336 -5.618 13 2HB SER 2 2HB SER 2 19.229 8.827 -4.746 14 HG SER 2 HG SER 2 18.382 8.352 -7.055 15 H ASN 3 H ASN 3 22.407 9.738 -3.564 16 HA ASN 3 HA ASN 3 23.552 7.341 -2.500 17 1HB ASN 3 1HB ASN 3 23.180 10.087 -1.276 18 2HB ASN 3 2HB ASN 3 24.082 8.780 -0.517 19 1HD2 ASN 3 1HD2 ASN 3 24.884 11.464 -1.429 20 2HD2 ASN 3 2HD2 ASN 3 26.213 11.205 -2.510 21 H ASP 4 H ASP 4 22.107 5.809 -1.915 22 HA ASP 4 HA ASP 4 19.511 6.336 -0.996 23 1HB ASP 4 1HB ASP 4 20.288 4.180 -1.986 24 2HB ASP 4 2HB ASP 4 21.104 3.829 -0.463 25 H THR 5 H THR 5 18.721 6.856 0.854 26 HA THR 5 HA THR 5 19.847 6.235 3.381 27 HB THR 5 HB THR 5 19.969 9.137 2.517 28 HG1 THR 5 HG1 THR 5 21.741 7.381 2.085 29 1HG2 THR 5 1HG2 THR 5 20.606 7.885 5.188 30 2HG2 THR 5 2HG2 THR 5 19.216 8.910 4.833 31 3HG2 THR 5 3HG2 THR 5 20.845 9.580 4.755 32 HA PRO 6 HA PRO 6 15.624 8.711 3.669 33 1HB PRO 6 1HB PRO 6 14.832 8.743 0.820 34 2HB PRO 6 2HB PRO 6 14.658 9.999 2.050 35 1HG PRO 6 1HG PRO 6 16.462 10.217 0.087 36 2HG PRO 6 2HG PRO 6 16.798 10.806 1.726 37 1HD PRO 6 1HD PRO 6 17.734 8.308 0.376 38 2HD PRO 6 2HD PRO 6 18.611 9.400 1.465 39 H PHE 7 H PHE 7 15.698 6.741 0.688 40 HA PHE 7 HA PHE 7 13.409 5.228 1.364 41 1HB PHE 7 1HB PHE 7 14.228 5.500 -0.955 42 2HB PHE 7 2HB PHE 7 15.641 4.531 -0.560 43 HD1 PHE 7 HD1 PHE 7 11.979 4.452 -0.981 44 HD2 PHE 7 HD2 PHE 7 15.541 2.161 -0.526 45 HE1 PHE 7 HE1 PHE 7 10.744 2.412 -1.588 46 HE2 PHE 7 HE2 PHE 7 14.310 0.120 -1.134 47 HZ PHE 7 HZ PHE 7 11.907 0.242 -1.668 48 H ASP 8 H ASP 8 16.875 4.599 1.652 49 HA ASP 8 HA ASP 8 16.903 2.049 2.701 50 1HB ASP 8 1HB ASP 8 18.895 3.460 2.190 51 2HB ASP 8 2HB ASP 8 18.568 4.399 3.628 52 H ALA 9 H ALA 9 16.737 5.082 4.487 53 HA ALA 9 HA ALA 9 16.351 3.900 7.027 54 1HB ALA 9 1HB ALA 9 15.500 6.660 6.146 55 2HB ALA 9 2HB ALA 9 17.107 6.222 6.719 56 3HB ALA 9 3HB ALA 9 15.724 6.111 7.805 57 H LEU 10 H LEU 10 14.012 5.188 4.675 58 HA LEU 10 HA LEU 10 11.716 4.834 6.230 59 1HB LEU 10 1HB LEU 10 12.333 5.348 3.430 60 2HB LEU 10 2HB LEU 10 10.870 4.408 3.635 61 HG LEU 10 HG LEU 10 10.366 6.786 3.479 62 1HD1 LEU 10 1HD1 LEU 10 8.918 5.384 4.843 63 2HD1 LEU 10 2HD1 LEU 10 9.031 7.014 5.506 64 3HD1 LEU 10 3HD1 LEU 10 9.931 5.696 6.255 65 1HD2 LEU 10 1HD2 LEU 10 11.086 8.344 5.213 66 2HD2 LEU 10 2HD2 LEU 10 12.466 7.670 4.346 67 3HD2 LEU 10 3HD2 LEU 10 12.061 7.075 5.955 68 H TRP 11 H TRP 11 13.282 2.621 3.916 69 HA TRP 11 HA TRP 11 11.291 0.607 4.164 70 1HB TRP 11 1HB TRP 11 13.177 0.940 2.357 71 2HB TRP 11 2HB TRP 11 14.126 -0.055 3.454 72 HD1 TRP 11 HD1 TRP 11 10.398 -0.715 2.954 73 HE1 TRP 11 HE1 TRP 11 10.095 -2.977 1.777 74 HE3 TRP 11 HE3 TRP 11 15.293 -1.747 1.899 75 HZ2 TRP 11 HZ2 TRP 11 11.708 -4.945 0.569 76 HZ3 TRP 11 HZ3 TRP 11 15.826 -3.848 0.733 77 HH2 TRP 11 HH2 TRP 11 14.062 -5.414 0.079 78 H GLN 12 H GLN 12 14.338 1.268 5.776 79 HA GLN 12 HA GLN 12 14.576 -0.993 7.378 80 1HB GLN 12 1HB GLN 12 15.876 1.420 7.144 81 2HB GLN 12 2HB GLN 12 15.158 1.542 8.740 82 1HG GLN 12 1HG GLN 12 16.972 -0.650 7.786 83 2HG GLN 12 2HG GLN 12 17.428 0.694 8.821 84 1HE2 GLN 12 1HE2 GLN 12 15.749 -2.332 8.625 85 2HE2 GLN 12 2HE2 GLN 12 15.514 -2.550 10.327 86 H ARG 13 H ARG 13 12.853 2.034 8.012 87 HA ARG 13 HA ARG 13 11.755 1.333 10.494 88 1HB ARG 13 1HB ARG 13 10.662 3.219 8.401 89 2HB ARG 13 2HB ARG 13 10.135 3.143 10.074 90 1HG ARG 13 1HG ARG 13 12.469 3.706 10.758 91 2HG ARG 13 2HG ARG 13 12.847 3.950 9.052 92 1HD ARG 13 1HD ARG 13 12.375 6.091 9.817 93 2HD ARG 13 2HD ARG 13 10.864 5.582 9.067 94 HE ARG 13 HE ARG 13 10.501 4.870 11.640 95 1HH1 ARG 13 1HH1 ARG 13 11.494 7.858 10.120 96 2HH1 ARG 13 2HH1 ARG 13 10.906 8.868 11.403 97 1HH2 ARG 13 1HH2 ARG 13 9.721 6.169 13.334 98 2HH2 ARG 13 2HH2 ARG 13 9.908 7.895 13.257 99 H MET 14 H MET 14 10.324 1.225 7.267 100 HA MET 14 HA MET 14 7.884 0.055 7.882 101 1HB MET 14 1HB MET 14 9.613 -0.272 5.428 102 2HB MET 14 2HB MET 14 7.938 -0.789 5.530 103 1HG MET 14 1HG MET 14 7.172 1.445 5.745 104 2HG MET 14 2HG MET 14 8.810 2.048 5.988 105 1HE MET 14 1HE MET 14 7.396 0.285 1.960 106 2HE MET 14 2HE MET 14 6.377 0.324 3.397 107 3HE MET 14 3HE MET 14 7.811 -0.704 3.358 108 H LEU 15 H LEU 15 11.015 -1.472 7.311 109 HA LEU 15 HA LEU 15 10.085 -4.147 7.346 110 1HB LEU 15 1HB LEU 15 12.651 -2.759 7.316 111 2HB LEU 15 2HB LEU 15 12.697 -4.254 8.226 112 HG LEU 15 HG LEU 15 13.368 -4.472 5.831 113 1HD1 LEU 15 1HD1 LEU 15 12.623 -6.414 7.078 114 2HD1 LEU 15 2HD1 LEU 15 12.046 -6.498 5.413 115 3HD1 LEU 15 3HD1 LEU 15 10.941 -6.033 6.707 116 1HD2 LEU 15 1HD2 LEU 15 11.815 -2.889 4.860 117 2HD2 LEU 15 2HD2 LEU 15 10.454 -3.903 5.338 118 3HD2 LEU 15 3HD2 LEU 15 11.608 -4.483 4.137 119 H ALA 16 H ALA 16 11.385 -2.017 9.838 120 HA ALA 16 HA ALA 16 11.467 -3.909 11.916 121 1HB ALA 16 1HB ALA 16 12.671 -1.778 11.980 122 2HB ALA 16 2HB ALA 16 11.668 -2.011 13.411 123 3HB ALA 16 3HB ALA 16 11.136 -0.920 12.130 124 H ARG 17 H ARG 17 8.810 -2.373 10.411 125 HA ARG 17 HA ARG 17 6.998 -2.391 12.610 126 1HB ARG 17 1HB ARG 17 6.362 -2.556 9.662 127 2HB ARG 17 2HB ARG 17 5.237 -2.143 10.941 128 1HG ARG 17 1HG ARG 17 7.594 -0.535 9.996 129 2HG ARG 17 2HG ARG 17 5.887 -0.155 9.799 130 1HD ARG 17 1HD ARG 17 6.168 1.092 11.627 131 2HD ARG 17 2HD ARG 17 6.067 -0.438 12.493 132 HE ARG 17 HE ARG 17 8.732 0.239 11.628 133 1HH1 ARG 17 1HH1 ARG 17 6.355 0.572 14.183 134 2HH1 ARG 17 2HH1 ARG 17 7.534 0.961 15.403 135 1HH2 ARG 17 1HH2 ARG 17 10.283 0.767 13.225 136 2HH2 ARG 17 2HH2 ARG 17 9.770 1.077 14.857 137 H GLY 18 H GLY 18 8.324 -4.820 10.617 138 1HA GLY 18 1HA GLY 18 8.163 -7.111 11.210 139 2HA GLY 18 2HA GLY 18 6.588 -6.788 11.922 140 H TRP 19 H TRP 19 7.399 -5.558 8.772 141 HA TRP 19 HA TRP 19 5.265 -7.183 7.652 142 1HB TRP 19 1HB TRP 19 6.803 -4.850 6.483 143 2HB TRP 19 2HB TRP 19 5.465 -5.675 5.689 144 HD1 TRP 19 HD1 TRP 19 3.819 -5.854 8.606 145 HE1 TRP 19 HE1 TRP 19 2.533 -3.743 9.325 146 HE3 TRP 19 HE3 TRP 19 6.235 -2.413 5.697 147 HZ2 TRP 19 HZ2 TRP 19 2.540 -0.988 8.727 148 HZ3 TRP 19 HZ3 TRP 19 5.528 -0.060 5.827 149 HH2 TRP 19 HH2 TRP 19 3.718 0.638 7.311 150 H THR 20 H THR 20 5.854 -7.590 5.106 151 HA THR 20 HA THR 20 8.310 -9.212 5.221 152 HB THR 20 HB THR 20 5.730 -9.990 3.847 153 HG1 THR 20 HG1 THR 20 6.516 -10.157 6.449 154 1HG2 THR 20 1HG2 THR 20 6.780 -12.211 3.706 155 2HG2 THR 20 2HG2 THR 20 8.250 -11.558 4.430 156 3HG2 THR 20 3HG2 THR 20 7.724 -10.996 2.844 157 HA PRO 21 HA PRO 21 9.255 -7.030 1.407 158 1HB PRO 21 1HB PRO 21 11.659 -8.674 1.338 159 2HB PRO 21 2HB PRO 21 11.515 -6.931 1.571 160 1HG PRO 21 1HG PRO 21 12.299 -8.642 3.540 161 2HG PRO 21 2HG PRO 21 11.459 -7.113 3.856 162 1HD PRO 21 1HD PRO 21 10.376 -9.904 3.821 163 2HD PRO 21 2HD PRO 21 9.999 -8.557 4.916 164 H VAL 22 H VAL 22 8.743 -7.586 -0.636 165 HA VAL 22 HA VAL 22 8.510 -10.472 -1.223 166 HB VAL 22 HB VAL 22 6.685 -8.313 -2.284 167 1HG1 VAL 22 1HG1 VAL 22 6.428 -11.317 -2.251 168 2HG1 VAL 22 2HG1 VAL 22 6.812 -10.327 -3.659 169 3HG1 VAL 22 3HG1 VAL 22 5.234 -10.186 -2.886 170 1HG2 VAL 22 1HG2 VAL 22 6.435 -8.457 0.149 171 2HG2 VAL 22 2HG2 VAL 22 6.188 -10.198 0.020 172 3HG2 VAL 22 3HG2 VAL 22 5.009 -9.088 -0.677 173 H SER 23 H SER 23 9.102 -11.186 -3.250 174 HA SER 23 HA SER 23 10.401 -9.249 -5.015 175 1HB SER 23 1HB SER 23 11.262 -11.337 -6.157 176 2HB SER 23 2HB SER 23 11.796 -11.125 -4.489 177 HG SER 23 HG SER 23 11.118 -13.235 -4.752 178 H GLU 24 H GLU 24 10.090 -9.747 -7.428 179 HA GLU 24 HA GLU 24 7.497 -9.027 -8.064 180 1HB GLU 24 1HB GLU 24 9.293 -8.472 -9.530 181 2HB GLU 24 2HB GLU 24 9.716 -10.161 -9.758 182 1HG GLU 24 1HG GLU 24 6.984 -9.594 -10.562 183 2HG GLU 24 2HG GLU 24 8.166 -8.610 -11.428 184 H SER 25 H SER 25 9.004 -12.225 -8.602 185 HA SER 25 HA SER 25 6.545 -13.267 -9.670 186 1HB SER 25 1HB SER 25 9.082 -14.733 -8.921 187 2HB SER 25 2HB SER 25 7.785 -15.341 -9.952 188 HG SER 25 HG SER 25 8.396 -13.089 -11.043 189 H ARG 26 H ARG 26 7.739 -12.857 -6.552 190 HA ARG 26 HA ARG 26 6.293 -15.158 -5.479 191 1HB ARG 26 1HB ARG 26 8.580 -14.679 -4.628 192 2HB ARG 26 2HB ARG 26 8.015 -13.123 -4.043 193 1HG ARG 26 1HG ARG 26 8.121 -14.654 -2.208 194 2HG ARG 26 2HG ARG 26 6.429 -14.303 -2.558 195 1HD ARG 26 1HD ARG 26 6.589 -16.640 -2.165 196 2HD ARG 26 2HD ARG 26 6.366 -16.422 -3.900 197 HE ARG 26 HE ARG 26 9.116 -16.542 -3.336 198 1HH1 ARG 26 1HH1 ARG 26 6.285 -18.624 -3.392 199 2HH1 ARG 26 2HH1 ARG 26 7.202 -20.069 -3.719 200 1HH2 ARG 26 1HH2 ARG 26 10.327 -18.437 -3.710 201 2HH2 ARG 26 2HH2 ARG 26 9.509 -19.972 -3.855 202 H LEU 27 H LEU 27 5.948 -11.834 -6.078 203 HA LEU 27 HA LEU 27 4.140 -11.061 -4.080 204 1HB LEU 27 1HB LEU 27 5.286 -9.576 -5.773 205 2HB LEU 27 2HB LEU 27 4.142 -10.151 -6.966 206 HG LEU 27 HG LEU 27 3.684 -7.876 -5.933 207 1HD1 LEU 27 1HD1 LEU 27 1.970 -9.021 -7.184 208 2HD1 LEU 27 2HD1 LEU 27 1.256 -8.250 -5.765 209 3HD1 LEU 27 3HD1 LEU 27 1.544 -9.992 -5.773 210 1HD2 LEU 27 1HD2 LEU 27 2.570 -7.848 -3.768 211 2HD2 LEU 27 2HD2 LEU 27 4.225 -8.444 -3.629 212 3HD2 LEU 27 3HD2 LEU 27 2.871 -9.574 -3.581 213 H ASP 28 H ASP 28 3.664 -12.626 -7.208 214 HA ASP 28 HA ASP 28 0.801 -12.672 -6.971 215 1HB ASP 28 1HB ASP 28 2.204 -12.746 -9.137 216 2HB ASP 28 2HB ASP 28 2.418 -14.457 -8.787 217 H ASP 29 H ASP 29 3.446 -14.794 -6.189 218 HA ASP 29 HA ASP 29 2.023 -17.193 -5.687 219 1HB ASP 29 1HB ASP 29 4.524 -16.915 -5.886 220 2HB ASP 29 2HB ASP 29 4.517 -16.205 -4.289 221 H TRP 30 H TRP 30 3.271 -14.737 -3.458 222 HA TRP 30 HA TRP 30 1.901 -15.746 -1.203 223 1HB TRP 30 1HB TRP 30 3.349 -13.213 -1.791 224 2HB TRP 30 2HB TRP 30 2.293 -13.259 -0.382 225 HD1 TRP 30 HD1 TRP 30 2.981 -16.391 0.317 226 HE1 TRP 30 HE1 TRP 30 5.227 -16.892 1.468 227 HE3 TRP 30 HE3 TRP 30 5.504 -12.120 -0.939 228 HZ2 TRP 30 HZ2 TRP 30 7.733 -15.639 1.803 229 HZ3 TRP 30 HZ3 TRP 30 7.823 -11.852 -0.160 230 HH2 TRP 30 HH2 TRP 30 8.912 -13.574 1.184 231 H LEU 31 H LEU 31 0.924 -13.476 -3.694 232 HA LEU 31 HA LEU 31 -1.466 -12.604 -2.452 233 1HB LEU 31 1HB LEU 31 -0.488 -11.546 -4.465 234 2HB LEU 31 2HB LEU 31 -0.890 -12.973 -5.396 235 HG LEU 31 HG LEU 31 -3.295 -12.545 -4.949 236 1HD1 LEU 31 1HD1 LEU 31 -3.971 -10.369 -4.065 237 2HD1 LEU 31 2HD1 LEU 31 -2.281 -9.975 -3.742 238 3HD1 LEU 31 3HD1 LEU 31 -3.062 -11.295 -2.870 239 1HD2 LEU 31 1HD2 LEU 31 -1.791 -10.270 -6.237 240 2HD2 LEU 31 2HD2 LEU 31 -3.496 -10.644 -6.475 241 3HD2 LEU 31 3HD2 LEU 31 -2.260 -11.778 -7.020 242 H THR 32 H THR 32 -0.537 -15.499 -4.083 243 HA THR 32 HA THR 32 -3.153 -16.546 -4.519 244 HB THR 32 HB THR 32 -0.439 -17.861 -4.490 245 HG1 THR 32 HG1 THR 32 -0.632 -16.403 -6.175 246 1HG2 THR 32 1HG2 THR 32 -3.055 -18.968 -5.504 247 2HG2 THR 32 2HG2 THR 32 -2.172 -19.536 -4.089 248 3HG2 THR 32 3HG2 THR 32 -1.468 -19.713 -5.697 249 H GLN 33 H GLN 33 -0.680 -16.950 -2.016 250 HA GLN 33 HA GLN 33 -2.263 -18.901 -0.581 251 1HB GLN 33 1HB GLN 33 0.449 -17.704 -0.257 252 2HB GLN 33 2HB GLN 33 -0.319 -18.416 1.155 253 1HG GLN 33 1HG GLN 33 0.099 -19.848 -1.459 254 2HG GLN 33 2HG GLN 33 1.170 -19.972 -0.063 255 1HE2 GLN 33 1HE2 GLN 33 -0.417 -22.031 -1.418 256 2HE2 GLN 33 2HE2 GLN 33 -1.437 -22.711 -0.191 257 H ALA 34 H ALA 34 -1.242 -15.542 -0.069 258 HA ALA 34 HA ALA 34 -2.905 -15.396 2.330 259 1HB ALA 34 1HB ALA 34 -0.985 -13.380 1.162 260 2HB ALA 34 2HB ALA 34 -0.646 -14.491 2.488 261 3HB ALA 34 3HB ALA 34 -1.848 -13.218 2.691 262 HA PRO 35 HA PRO 35 -5.986 -13.493 -0.282 263 1HB PRO 35 1HB PRO 35 -8.026 -13.667 1.457 264 2HB PRO 35 2HB PRO 35 -7.409 -15.077 0.592 265 1HG PRO 35 1HG PRO 35 -7.012 -14.270 3.424 266 2HG PRO 35 2HG PRO 35 -7.103 -15.891 2.718 267 1HD PRO 35 1HD PRO 35 -4.766 -14.501 3.432 268 2HD PRO 35 2HD PRO 35 -4.854 -15.975 2.448 269 H ASP 36 H ASP 36 -6.090 -11.393 -0.599 270 HA ASP 36 HA ASP 36 -6.500 -9.211 -0.373 271 1HB ASP 36 1HB ASP 36 -7.644 -10.118 2.265 272 2HB ASP 36 2HB ASP 36 -7.703 -8.458 1.702 273 H GLY 37 H GLY 37 -6.012 -7.256 1.127 274 1HA GLY 37 1HA GLY 37 -4.385 -6.720 3.016 275 2HA GLY 37 2HA GLY 37 -3.249 -7.656 2.055 276 H VAL 38 H VAL 38 -1.971 -5.677 2.109 277 HA VAL 38 HA VAL 38 -2.731 -3.877 -0.084 278 HB VAL 38 HB VAL 38 -1.764 -1.940 1.173 279 1HG1 VAL 38 1HG1 VAL 38 -4.186 -3.239 2.420 280 2HG1 VAL 38 2HG1 VAL 38 -4.176 -2.204 0.991 281 3HG1 VAL 38 3HG1 VAL 38 -3.745 -1.539 2.566 282 1HG2 VAL 38 1HG2 VAL 38 -1.937 -3.816 3.528 283 2HG2 VAL 38 2HG2 VAL 38 -1.618 -2.086 3.616 284 3HG2 VAL 38 3HG2 VAL 38 -0.460 -3.158 2.827 285 H VAL 39 H VAL 39 -1.053 -3.161 -1.346 286 HA VAL 39 HA VAL 39 1.607 -4.248 -0.686 287 HB VAL 39 HB VAL 39 0.421 -3.891 -3.449 288 1HG1 VAL 39 1HG1 VAL 39 2.838 -3.566 -3.419 289 2HG1 VAL 39 2HG1 VAL 39 2.411 -5.075 -4.228 290 3HG1 VAL 39 3HG1 VAL 39 3.040 -5.106 -2.582 291 1HG2 VAL 39 1HG2 VAL 39 -0.618 -5.745 -2.245 292 2HG2 VAL 39 2HG2 VAL 39 0.974 -6.416 -1.893 293 3HG2 VAL 39 3HG2 VAL 39 0.403 -6.332 -3.559 294 H LEU 40 H LEU 40 3.203 -2.813 -0.531 295 HA LEU 40 HA LEU 40 2.720 -0.084 -1.498 296 1HB LEU 40 1HB LEU 40 4.487 -1.211 0.635 297 2HB LEU 40 2HB LEU 40 4.813 0.368 -0.048 298 HG LEU 40 HG LEU 40 2.170 -0.367 1.187 299 1HD1 LEU 40 1HD1 LEU 40 4.525 1.036 2.449 300 2HD1 LEU 40 2HD1 LEU 40 3.912 -0.559 2.884 301 3HD1 LEU 40 3HD1 LEU 40 2.924 0.873 3.169 302 1HD2 LEU 40 1HD2 LEU 40 2.139 1.503 -0.381 303 2HD2 LEU 40 2HD2 LEU 40 3.433 2.285 0.526 304 3HD2 LEU 40 3HD2 LEU 40 1.853 2.046 1.272 305 H LEU 41 H LEU 41 3.947 0.848 -2.982 306 HA LEU 41 HA LEU 41 5.752 -0.835 -4.488 307 1HB LEU 41 1HB LEU 41 4.726 1.963 -4.913 308 2HB LEU 41 2HB LEU 41 5.956 1.255 -5.940 309 HG LEU 41 HG LEU 41 4.273 -0.609 -6.413 310 1HD1 LEU 41 1HD1 LEU 41 2.395 1.418 -5.215 311 2HD1 LEU 41 2HD1 LEU 41 2.748 -0.187 -4.577 312 3HD1 LEU 41 3HD1 LEU 41 1.915 -0.016 -6.122 313 1HD2 LEU 41 1HD2 LEU 41 3.117 0.737 -8.115 314 2HD2 LEU 41 2HD2 LEU 41 4.845 1.087 -8.048 315 3HD2 LEU 41 3HD2 LEU 41 3.689 2.205 -7.324 316 H SER 42 H SER 42 6.111 2.531 -3.373 317 HA SER 42 HA SER 42 8.631 1.960 -2.110 318 1HB SER 42 1HB SER 42 8.529 3.705 -4.590 319 2HB SER 42 2HB SER 42 9.912 3.577 -3.505 320 HG SER 42 HG SER 42 9.033 1.133 -4.311 321 H SER 43 H SER 43 9.627 4.256 -1.474 322 HA SER 43 HA SER 43 7.544 5.613 -0.032 323 1HB SER 43 1HB SER 43 10.456 6.394 -0.206 324 2HB SER 43 2HB SER 43 9.312 6.766 1.084 325 HG SER 43 HG SER 43 9.249 4.544 1.581 326 H ASP 44 H ASP 44 10.210 7.027 -1.917 327 HA ASP 44 HA ASP 44 10.360 8.773 -3.344 328 1HB ASP 44 1HB ASP 44 7.677 7.670 -3.946 329 2HB ASP 44 2HB ASP 44 8.007 9.291 -4.547 330 HA PRO 45 HA PRO 45 9.137 12.441 -1.233 331 1HB PRO 45 1HB PRO 45 8.884 13.890 -3.774 332 2HB PRO 45 2HB PRO 45 10.040 14.129 -2.461 333 1HG PRO 45 1HG PRO 45 10.770 13.101 -4.839 334 2HG PRO 45 2HG PRO 45 11.533 12.592 -3.321 335 1HD PRO 45 1HD PRO 45 9.425 11.215 -4.944 336 2HD PRO 45 2HD PRO 45 10.837 10.525 -4.111 337 H LYS 46 H LYS 46 7.263 13.167 -0.461 338 HA LYS 46 HA LYS 46 4.821 12.704 -1.990 339 1HB LYS 46 1HB LYS 46 5.326 12.163 0.574 340 2HB LYS 46 2HB LYS 46 4.807 13.827 0.778 341 1HG LYS 46 1HG LYS 46 3.164 11.705 -0.586 342 2HG LYS 46 2HG LYS 46 3.023 12.127 1.120 343 1HD LYS 46 1HD LYS 46 2.379 14.396 0.525 344 2HD LYS 46 2HD LYS 46 2.592 14.027 -1.187 345 1HE LYS 46 1HE LYS 46 0.828 12.307 -1.005 346 2HE LYS 46 2HE LYS 46 0.594 12.757 0.682 347 1HZ LYS 46 1HZ LYS 46 -0.189 14.883 0.052 348 2HZ LYS 46 2HZ LYS 46 -0.993 13.769 -0.944 349 3HZ LYS 46 3HZ LYS 46 0.298 14.672 -1.562 350 H ARG 47 H ARG 47 6.066 15.264 0.121 351 HA ARG 47 HA ARG 47 6.355 17.367 -1.540 352 1HB ARG 47 1HB ARG 47 3.633 16.778 -1.625 353 2HB ARG 47 2HB ARG 47 3.733 18.097 -0.468 354 1HG ARG 47 1HG ARG 47 5.372 18.759 -2.687 355 2HG ARG 47 2HG ARG 47 3.815 18.207 -3.299 356 1HD ARG 47 1HD ARG 47 3.652 20.559 -2.975 357 2HD ARG 47 2HD ARG 47 2.726 19.788 -1.687 358 HE ARG 47 HE ARG 47 5.493 20.648 -1.175 359 1HH1 ARG 47 1HH1 ARG 47 2.046 20.978 -0.600 360 2HH1 ARG 47 2HH1 ARG 47 2.255 22.003 0.797 361 1HH2 ARG 47 1HH2 ARG 47 5.757 22.008 0.646 362 2HH2 ARG 47 2HH2 ARG 47 4.356 22.568 1.507 363 H THR 48 H THR 48 5.116 16.181 1.465 364 HA THR 48 HA THR 48 6.024 18.581 2.892 365 HB THR 48 HB THR 48 4.686 17.610 4.792 366 HG1 THR 48 HG1 THR 48 3.276 15.906 4.298 367 1HG2 THR 48 1HG2 THR 48 2.510 18.221 3.863 368 2HG2 THR 48 2HG2 THR 48 3.166 18.104 2.229 369 3HG2 THR 48 3HG2 THR 48 3.760 19.348 3.331 370 HA PRO 49 HA PRO 49 9.199 16.232 4.987 371 1HB PRO 49 1HB PRO 49 8.454 17.129 7.651 372 2HB PRO 49 2HB PRO 49 9.839 17.603 6.667 373 1HG PRO 49 1HG PRO 49 7.784 19.285 7.236 374 2HG PRO 49 2HG PRO 49 8.744 19.393 5.749 375 1HD PRO 49 1HD PRO 49 6.037 18.181 6.176 376 2HD PRO 49 2HD PRO 49 6.625 19.178 4.826 377 H GLU 50 H GLU 50 5.987 15.539 5.504 378 HA GLU 50 HA GLU 50 6.254 13.669 7.664 379 1HB GLU 50 1HB GLU 50 4.023 14.325 5.757 380 2HB GLU 50 2HB GLU 50 3.905 12.976 6.877 381 1HG GLU 50 1HG GLU 50 2.795 14.886 7.805 382 2HG GLU 50 2HG GLU 50 4.241 14.543 8.753 383 H VAL 51 H VAL 51 7.344 13.507 4.587 384 HA VAL 51 HA VAL 51 6.642 10.936 3.699 385 HB VAL 51 HB VAL 51 9.320 12.299 3.337 386 1HG1 VAL 51 1HG1 VAL 51 7.943 10.175 1.690 387 2HG1 VAL 51 2HG1 VAL 51 9.379 9.955 2.692 388 3HG1 VAL 51 3HG1 VAL 51 9.451 10.984 1.262 389 1HG2 VAL 51 1HG2 VAL 51 7.519 13.777 2.650 390 2HG2 VAL 51 2HG2 VAL 51 6.824 12.495 1.658 391 3HG2 VAL 51 3HG2 VAL 51 8.396 13.175 1.244 392 H SER 52 H SER 52 8.698 11.964 6.265 393 HA SER 52 HA SER 52 10.172 9.476 6.385 394 1HB SER 52 1HB SER 52 11.205 11.736 6.819 395 2HB SER 52 2HB SER 52 10.270 11.802 8.310 396 HG SER 52 HG SER 52 12.527 10.956 8.379 397 H ASP 53 H ASP 53 7.163 10.401 7.346 398 HA ASP 53 HA ASP 53 7.185 9.368 10.043 399 1HB ASP 53 1HB ASP 53 5.714 11.260 9.357 400 2HB ASP 53 2HB ASP 53 4.826 10.154 8.318 401 H ASN 54 H ASN 54 6.953 7.298 10.579 402 HA ASN 54 HA ASN 54 6.294 5.337 8.591 403 1HB ASN 54 1HB ASN 54 6.596 3.680 10.351 404 2HB ASN 54 2HB ASN 54 7.926 4.829 10.372 405 1HD2 ASN 54 1HD2 ASN 54 5.229 3.546 12.091 406 2HD2 ASN 54 2HD2 ASN 54 5.516 4.374 13.581 407 HA PRO 55 HA PRO 55 1.952 5.647 8.886 408 1HB PRO 55 1HB PRO 55 1.889 2.831 7.999 409 2HB PRO 55 2HB PRO 55 1.228 4.272 7.222 410 1HG PRO 55 1HG PRO 55 3.400 3.052 6.256 411 2HG PRO 55 2HG PRO 55 3.237 4.819 6.219 412 1HD PRO 55 1HD PRO 55 4.819 3.097 8.090 413 2HD PRO 55 2HD PRO 55 5.260 4.647 7.342 414 H VAL 56 H VAL 56 1.385 5.727 11.021 415 HA VAL 56 HA VAL 56 1.041 3.180 12.443 416 HB VAL 56 HB VAL 56 0.681 6.002 13.478 417 1HG1 VAL 56 1HG1 VAL 56 0.680 4.977 15.694 418 2HG1 VAL 56 2HG1 VAL 56 0.813 3.378 14.962 419 3HG1 VAL 56 3HG1 VAL 56 -0.637 4.348 14.703 420 1HG2 VAL 56 1HG2 VAL 56 2.992 4.099 13.842 421 2HG2 VAL 56 2HG2 VAL 56 2.810 5.661 14.643 422 3HG2 VAL 56 3HG2 VAL 56 3.003 5.586 12.890 423 H MET 57 H MET 57 -0.686 5.935 11.151 424 HA MET 57 HA MET 57 -3.238 5.351 12.202 425 1HB MET 57 1HB MET 57 -4.093 6.968 10.645 426 2HB MET 57 2HB MET 57 -2.568 7.558 11.286 427 1HG MET 57 1HG MET 57 -2.956 6.266 8.596 428 2HG MET 57 2HG MET 57 -2.807 7.995 8.898 429 1HE MET 57 1HE MET 57 -0.843 8.338 7.229 430 2HE MET 57 2HE MET 57 -0.983 6.648 6.750 431 3HE MET 57 3HE MET 57 0.594 7.322 7.164 432 H ILE 58 H ILE 58 -1.472 4.063 9.540 433 HA ILE 58 HA ILE 58 -3.625 3.066 8.011 434 HB ILE 58 HB ILE 58 -0.779 2.072 8.237 435 1HG1 ILE 58 1HG1 ILE 58 -0.935 4.364 7.421 436 2HG1 ILE 58 2HG1 ILE 58 -0.459 3.293 6.109 437 1HG2 ILE 58 1HG2 ILE 58 -2.162 0.288 7.370 438 2HG2 ILE 58 2HG2 ILE 58 -1.168 0.957 6.076 439 3HG2 ILE 58 3HG2 ILE 58 -2.878 1.380 6.183 440 1HD1 ILE 58 1HD1 ILE 58 -2.075 4.946 5.368 441 2HD1 ILE 58 2HD1 ILE 58 -3.225 4.381 6.580 442 3HD1 ILE 58 3HD1 ILE 58 -2.742 3.317 5.261 443 H GLY 59 H GLY 59 -1.882 1.794 10.790 444 1HA GLY 59 1HA GLY 59 -2.802 -0.871 10.659 445 2HA GLY 59 2HA GLY 59 -2.223 -0.058 12.103 446 H GLU 60 H GLU 60 -4.127 1.971 12.311 447 HA GLU 60 HA GLU 60 -6.327 0.486 13.391 448 1HB GLU 60 1HB GLU 60 -7.110 2.714 14.160 449 2HB GLU 60 2HB GLU 60 -5.475 2.330 14.664 450 1HG GLU 60 1HG GLU 60 -4.647 3.706 12.756 451 2HG GLU 60 2HG GLU 60 -6.314 4.197 12.458 452 H LEU 61 H LEU 61 -5.727 2.400 10.548 453 HA LEU 61 HA LEU 61 -8.386 2.893 9.766 454 1HB LEU 61 1HB LEU 61 -6.464 4.031 8.769 455 2HB LEU 61 2HB LEU 61 -5.902 2.515 8.090 456 HG LEU 61 HG LEU 61 -7.954 2.427 6.689 457 1HD1 LEU 61 1HD1 LEU 61 -9.310 4.445 6.454 458 2HD1 LEU 61 2HD1 LEU 61 -8.416 5.197 7.774 459 3HD1 LEU 61 3HD1 LEU 61 -9.418 3.779 8.083 460 1HD2 LEU 61 1HD2 LEU 61 -5.864 3.308 5.798 461 2HD2 LEU 61 2HD2 LEU 61 -6.277 4.914 6.397 462 3HD2 LEU 61 3HD2 LEU 61 -7.249 4.170 5.128 463 H LEU 62 H LEU 62 -6.191 0.204 9.137 464 HA LEU 62 HA LEU 62 -7.747 -1.252 7.337 465 1HB LEU 62 1HB LEU 62 -5.498 -1.836 9.163 466 2HB LEU 62 2HB LEU 62 -6.430 -3.220 8.624 467 HG LEU 62 HG LEU 62 -5.885 -2.823 6.343 468 1HD1 LEU 62 1HD1 LEU 62 -6.117 -0.404 6.282 469 2HD1 LEU 62 2HD1 LEU 62 -4.571 -0.898 5.595 470 3HD1 LEU 62 3HD1 LEU 62 -4.637 -0.225 7.224 471 1HD2 LEU 62 1HD2 LEU 62 -3.433 -2.889 6.374 472 2HD2 LEU 62 2HD2 LEU 62 -4.141 -3.915 7.621 473 3HD2 LEU 62 3HD2 LEU 62 -3.452 -2.351 8.055 474 H ARG 63 H ARG 63 -8.133 -0.839 10.740 475 HA ARG 63 HA ARG 63 -9.425 -3.256 11.392 476 1HB ARG 63 1HB ARG 63 -9.790 -0.572 12.730 477 2HB ARG 63 2HB ARG 63 -10.125 -2.151 13.432 478 1HG ARG 63 1HG ARG 63 -7.406 -1.148 12.607 479 2HG ARG 63 2HG ARG 63 -8.027 -1.197 14.256 480 1HD ARG 63 1HD ARG 63 -8.127 -3.597 14.207 481 2HD ARG 63 2HD ARG 63 -7.709 -3.620 12.492 482 HE ARG 63 HE ARG 63 -5.650 -2.291 13.751 483 1HH1 ARG 63 1HH1 ARG 63 -7.104 -5.470 14.066 484 2HH1 ARG 63 2HH1 ARG 63 -5.602 -6.247 14.460 485 1HH2 ARG 63 1HH2 ARG 63 -3.686 -3.322 14.290 486 2HH2 ARG 63 2HH2 ARG 63 -3.659 -5.034 14.574 487 H GLU 64 H GLU 64 -10.528 -0.730 9.437 488 HA GLU 64 HA GLU 64 -13.273 -0.648 9.932 489 1HB GLU 64 1HB GLU 64 -11.760 -0.467 7.325 490 2HB GLU 64 2HB GLU 64 -13.485 -0.166 7.462 491 1HG GLU 64 1HG GLU 64 -11.352 1.365 8.930 492 2HG GLU 64 2HG GLU 64 -12.124 1.885 7.433 493 H PHE 65 H PHE 65 -11.305 -3.100 8.404 494 HA PHE 65 HA PHE 65 -13.704 -4.794 8.212 495 1HB PHE 65 1HB PHE 65 -11.944 -4.009 6.075 496 2HB PHE 65 2HB PHE 65 -11.849 -5.749 6.317 497 HD1 PHE 65 HD1 PHE 65 -14.125 -6.993 6.486 498 HD2 PHE 65 HD2 PHE 65 -13.618 -3.134 4.769 499 HE1 PHE 65 HE1 PHE 65 -16.216 -7.284 5.222 500 HE2 PHE 65 HE2 PHE 65 -15.708 -3.414 3.506 501 HZ PHE 65 HZ PHE 65 -17.013 -5.490 3.732 502 HA PRO 66 HA PRO 66 -10.716 -7.180 10.701 503 1HB PRO 66 1HB PRO 66 -12.891 -8.024 12.351 504 2HB PRO 66 2HB PRO 66 -11.603 -6.890 12.760 505 1HG PRO 66 1HG PRO 66 -14.278 -6.227 12.475 506 2HG PRO 66 2HG PRO 66 -12.929 -5.084 12.386 507 1HD PRO 66 1HD PRO 66 -14.483 -6.362 10.176 508 2HD PRO 66 2HD PRO 66 -13.817 -4.718 10.286 509 H ASP 67 H ASP 67 -13.230 -7.815 8.666 510 HA ASP 67 HA ASP 67 -13.624 -10.604 9.209 511 1HB ASP 67 1HB ASP 67 -15.412 -9.183 8.253 512 2HB ASP 67 2HB ASP 67 -14.438 -8.956 6.805 513 H TYR 68 H TYR 68 -11.464 -8.728 7.331 514 HA TYR 68 HA TYR 68 -10.584 -11.075 5.841 515 1HB TYR 68 1HB TYR 68 -10.487 -8.134 5.218 516 2HB TYR 68 2HB TYR 68 -9.449 -9.283 4.386 517 HD1 TYR 68 HD1 TYR 68 -10.423 -11.004 2.931 518 HD2 TYR 68 HD2 TYR 68 -12.829 -7.990 4.722 519 HE1 TYR 68 HE1 TYR 68 -12.223 -11.512 1.343 520 HE2 TYR 68 HE2 TYR 68 -14.642 -8.490 3.134 521 HH TYR 68 HH TYR 68 -14.632 -11.286 1.177 522 H THR 69 H THR 69 -8.310 -11.241 5.462 523 HA THR 69 HA THR 69 -6.721 -10.387 7.752 524 HB THR 69 HB THR 69 -4.999 -11.966 6.708 525 HG1 THR 69 HG1 THR 69 -6.070 -12.022 4.618 526 1HG2 THR 69 1HG2 THR 69 -6.354 -12.579 8.659 527 2HG2 THR 69 2HG2 THR 69 -6.100 -13.964 7.598 528 3HG2 THR 69 3HG2 THR 69 -7.648 -13.122 7.590 529 H TRP 70 H TRP 70 -5.639 -8.551 7.551 530 HA TRP 70 HA TRP 70 -5.070 -7.509 4.909 531 1HB TRP 70 1HB TRP 70 -4.669 -6.320 7.655 532 2HB TRP 70 2HB TRP 70 -4.314 -5.484 6.146 533 HD1 TRP 70 HD1 TRP 70 -7.169 -6.437 8.431 534 HE1 TRP 70 HE1 TRP 70 -9.345 -5.383 7.559 535 HE3 TRP 70 HE3 TRP 70 -5.495 -4.770 3.898 536 HZ2 TRP 70 HZ2 TRP 70 -10.235 -4.023 5.253 537 HZ3 TRP 70 HZ3 TRP 70 -7.074 -3.600 2.418 538 HH2 TRP 70 HH2 TRP 70 -9.392 -3.236 3.084 539 H GLN 71 H GLN 71 -3.443 -8.708 4.070 540 HA GLN 71 HA GLN 71 -0.972 -9.020 5.565 541 1HB GLN 71 1HB GLN 71 -2.122 -10.157 3.100 542 2HB GLN 71 2HB GLN 71 -0.389 -9.882 3.043 543 1HG GLN 71 1HG GLN 71 -0.731 -12.116 3.727 544 2HG GLN 71 2HG GLN 71 -0.180 -11.220 5.137 545 1HE2 GLN 71 1HE2 GLN 71 -1.681 -13.734 4.852 546 2HE2 GLN 71 2HE2 GLN 71 -3.122 -13.530 5.777 547 H VAL 72 H VAL 72 0.505 -7.452 5.593 548 HA VAL 72 HA VAL 72 0.423 -5.390 3.537 549 HB VAL 72 HB VAL 72 2.213 -5.514 5.969 550 1HG1 VAL 72 1HG1 VAL 72 1.456 -3.258 4.110 551 2HG1 VAL 72 2HG1 VAL 72 3.044 -4.016 4.258 552 3HG1 VAL 72 3HG1 VAL 72 2.388 -3.074 5.596 553 1HG2 VAL 72 1HG2 VAL 72 0.614 -3.965 7.021 554 2HG2 VAL 72 2HG2 VAL 72 -0.128 -5.526 6.668 555 3HG2 VAL 72 3HG2 VAL 72 -0.457 -4.137 5.631 556 H ALA 73 H ALA 73 1.459 -5.853 1.734 557 HA ALA 73 HA ALA 73 4.011 -7.314 1.883 558 1HB ALA 73 1HB ALA 73 2.287 -8.362 0.490 559 2HB ALA 73 2HB ALA 73 3.669 -7.841 -0.479 560 3HB ALA 73 3HB ALA 73 2.181 -6.893 -0.481 561 H ILE 74 H ILE 74 5.850 -6.279 1.435 562 HA ILE 74 HA ILE 74 5.689 -3.723 -0.011 563 HB ILE 74 HB ILE 74 7.513 -2.851 1.419 564 1HG1 ILE 74 1HG1 ILE 74 6.970 -5.337 3.055 565 2HG1 ILE 74 2HG1 ILE 74 8.459 -4.968 2.187 566 1HG2 ILE 74 1HG2 ILE 74 6.120 -2.395 3.390 567 2HG2 ILE 74 2HG2 ILE 74 5.013 -3.673 2.891 568 3HG2 ILE 74 3HG2 ILE 74 5.212 -2.239 1.889 569 1HD1 ILE 74 1HD1 ILE 74 8.885 -3.103 3.670 570 2HD1 ILE 74 2HD1 ILE 74 8.641 -4.583 4.600 571 3HD1 ILE 74 3HD1 ILE 74 7.352 -3.382 4.495 572 H ALA 75 H ALA 75 7.315 -3.312 -1.475 573 HA ALA 75 HA ALA 75 9.328 -5.440 -1.814 574 1HB ALA 75 1HB ALA 75 7.664 -4.233 -4.019 575 2HB ALA 75 2HB ALA 75 7.485 -5.859 -3.362 576 3HB ALA 75 3HB ALA 75 8.959 -5.413 -4.223 577 H ASP 76 H ASP 76 11.112 -4.794 -3.299 578 HA ASP 76 HA ASP 76 12.132 -2.200 -2.746 579 1HB ASP 76 1HB ASP 76 12.997 -4.249 -4.801 580 2HB ASP 76 2HB ASP 76 13.890 -2.785 -4.414 581 H LEU 77 H LEU 77 12.864 -0.729 -4.571 582 HA LEU 77 HA LEU 77 10.635 0.176 -6.033 583 1HB LEU 77 1HB LEU 77 12.626 1.531 -5.251 584 2HB LEU 77 2HB LEU 77 13.533 0.835 -6.576 585 HG LEU 77 HG LEU 77 10.991 2.335 -7.120 586 1HD1 LEU 77 1HD1 LEU 77 12.333 4.371 -7.405 587 2HD1 LEU 77 2HD1 LEU 77 13.730 3.527 -6.738 588 3HD1 LEU 77 3HD1 LEU 77 12.312 3.817 -5.732 589 1HD2 LEU 77 1HD2 LEU 77 13.530 1.935 -8.702 590 2HD2 LEU 77 2HD2 LEU 77 12.088 2.794 -9.252 591 3HD2 LEU 77 3HD2 LEU 77 12.018 1.057 -8.942 592 H GLU 78 H GLU 78 13.385 -1.843 -6.848 593 HA GLU 78 HA GLU 78 13.074 -1.923 -9.625 594 1HB GLU 78 1HB GLU 78 14.143 -4.027 -7.744 595 2HB GLU 78 2HB GLU 78 14.313 -4.078 -9.492 596 1HG GLU 78 1HG GLU 78 15.591 -2.012 -9.444 597 2HG GLU 78 2HG GLU 78 15.404 -1.932 -7.692 598 H GLN 79 H GLN 79 11.754 -4.115 -7.135 599 HA GLN 79 HA GLN 79 10.331 -5.726 -8.989 600 1HB GLN 79 1HB GLN 79 9.906 -5.342 -6.021 601 2HB GLN 79 2HB GLN 79 9.018 -6.503 -6.997 602 1HG GLN 79 1HG GLN 79 10.627 -7.873 -6.200 603 2HG GLN 79 2HG GLN 79 11.469 -7.278 -7.631 604 1HE2 GLN 79 1HE2 GLN 79 11.244 -7.161 -4.175 605 2HE2 GLN 79 2HE2 GLN 79 12.754 -6.351 -3.892 606 H SER 80 H SER 80 9.385 -2.945 -7.007 607 HA SER 80 HA SER 80 6.623 -3.190 -7.576 608 1HB SER 80 1HB SER 80 6.521 -0.826 -6.676 609 2HB SER 80 2HB SER 80 7.229 -2.030 -5.597 610 HG SER 80 HG SER 80 9.107 -1.072 -5.741 611 H GLU 81 H GLU 81 9.249 -1.429 -9.114 612 HA GLU 81 HA GLU 81 7.731 0.090 -10.918 613 1HB GLU 81 1HB GLU 81 10.173 0.363 -10.618 614 2HB GLU 81 2HB GLU 81 10.437 -1.195 -11.376 615 1HG GLU 81 1HG GLU 81 9.589 -0.400 -13.463 616 2HG GLU 81 2HG GLU 81 9.094 1.127 -12.737 617 H ALA 82 H ALA 82 9.116 -3.144 -11.206 618 HA ALA 82 HA ALA 82 8.088 -3.710 -13.777 619 1HB ALA 82 1HB ALA 82 9.927 -4.982 -12.772 620 2HB ALA 82 2HB ALA 82 8.614 -6.040 -13.289 621 3HB ALA 82 3HB ALA 82 8.811 -5.649 -11.581 622 H ILE 83 H ILE 83 6.821 -4.358 -10.533 623 HA ILE 83 HA ILE 83 4.536 -5.804 -11.367 624 HB ILE 83 HB ILE 83 5.008 -4.220 -8.835 625 1HG1 ILE 83 1HG1 ILE 83 5.136 -7.197 -9.356 626 2HG1 ILE 83 2HG1 ILE 83 6.538 -6.137 -9.257 627 1HG2 ILE 83 1HG2 ILE 83 3.147 -5.534 -7.884 628 2HG2 ILE 83 2HG2 ILE 83 2.815 -6.187 -9.489 629 3HG2 ILE 83 3HG2 ILE 83 2.622 -4.460 -9.182 630 1HD1 ILE 83 1HD1 ILE 83 4.576 -6.662 -7.034 631 2HD1 ILE 83 2HD1 ILE 83 6.007 -5.635 -6.939 632 3HD1 ILE 83 3HD1 ILE 83 6.182 -7.373 -7.189 633 H GLY 84 H GLY 84 5.058 -2.360 -10.680 634 1HA GLY 84 1HA GLY 84 2.383 -1.545 -11.153 635 2HA GLY 84 2HA GLY 84 3.800 -0.507 -11.210 636 H ASP 85 H ASP 85 5.248 -1.615 -13.230 637 HA ASP 85 HA ASP 85 4.156 -0.639 -15.592 638 1HB ASP 85 1HB ASP 85 6.547 -1.098 -15.297 639 2HB ASP 85 2HB ASP 85 6.221 -2.821 -15.221 640 H ARG 86 H ARG 86 4.111 -3.853 -14.231 641 HA ARG 86 HA ARG 86 3.049 -5.318 -16.335 642 1HB ARG 86 1HB ARG 86 3.872 -5.912 -13.861 643 2HB ARG 86 2HB ARG 86 2.135 -5.961 -13.591 644 1HG ARG 86 1HG ARG 86 2.962 -8.160 -14.112 645 2HG ARG 86 2HG ARG 86 1.915 -7.590 -15.412 646 1HD ARG 86 1HD ARG 86 3.792 -7.062 -16.784 647 2HD ARG 86 2HD ARG 86 4.914 -7.353 -15.456 648 HE ARG 86 HE ARG 86 3.615 -9.733 -15.777 649 1HH1 ARG 86 1HH1 ARG 86 5.455 -7.599 -17.868 650 2HH1 ARG 86 2HH1 ARG 86 6.083 -8.893 -18.850 651 1HH2 ARG 86 1HH2 ARG 86 4.415 -11.430 -17.057 652 2HH2 ARG 86 2HH2 ARG 86 5.473 -11.084 -18.390 653 H PHE 87 H PHE 87 1.447 -3.329 -13.936 654 HA PHE 87 HA PHE 87 -1.193 -4.115 -14.893 655 1HB PHE 87 1HB PHE 87 -0.591 -3.796 -12.426 656 2HB PHE 87 2HB PHE 87 -0.574 -2.070 -12.760 657 HD1 PHE 87 HD1 PHE 87 -2.693 -5.079 -12.648 658 HD2 PHE 87 HD2 PHE 87 -2.595 -0.833 -12.948 659 HE1 PHE 87 HE1 PHE 87 -5.117 -4.998 -12.236 660 HE2 PHE 87 HE2 PHE 87 -5.022 -0.746 -12.542 661 HZ PHE 87 HZ PHE 87 -6.288 -2.836 -12.180 662 H GLY 88 H GLY 88 0.981 -1.367 -14.888 663 1HA GLY 88 1HA GLY 88 0.739 -0.062 -17.043 664 2HA GLY 88 2HA GLY 88 -0.942 0.118 -16.564 665 H VAL 89 H VAL 89 0.146 0.241 -13.696 666 HA VAL 89 HA VAL 89 0.501 3.137 -13.719 667 HB VAL 89 HB VAL 89 0.064 1.333 -11.333 668 1HG1 VAL 89 1HG1 VAL 89 -0.239 4.317 -11.653 669 2HG1 VAL 89 2HG1 VAL 89 1.068 3.505 -10.793 670 3HG1 VAL 89 3HG1 VAL 89 -0.587 3.391 -10.195 671 1HG2 VAL 89 1HG2 VAL 89 -1.835 1.184 -12.854 672 2HG2 VAL 89 2HG2 VAL 89 -1.936 2.941 -12.910 673 3HG2 VAL 89 3HG2 VAL 89 -2.272 2.089 -11.404 674 H PHE 90 H PHE 90 2.630 3.509 -14.183 675 HA PHE 90 HA PHE 90 4.557 2.368 -12.276 676 1HB PHE 90 1HB PHE 90 6.276 2.460 -14.078 677 2HB PHE 90 2HB PHE 90 4.979 1.320 -14.404 678 HD1 PHE 90 HD1 PHE 90 6.564 4.444 -15.414 679 HD2 PHE 90 HD2 PHE 90 3.381 1.732 -16.184 680 HE1 PHE 90 HE1 PHE 90 6.204 5.497 -17.609 681 HE2 PHE 90 HE2 PHE 90 3.011 2.781 -18.378 682 HZ PHE 90 HZ PHE 90 4.426 4.664 -19.095 683 H ARG 91 H ARG 91 6.375 3.679 -11.767 684 HA ARG 91 HA ARG 91 7.370 5.571 -11.055 685 1HB ARG 91 1HB ARG 91 6.008 6.836 -13.438 686 2HB ARG 91 2HB ARG 91 7.255 7.602 -12.461 687 1HG ARG 91 1HG ARG 91 8.501 5.300 -13.131 688 2HG ARG 91 2HG ARG 91 7.478 5.545 -14.548 689 1HD ARG 91 1HD ARG 91 9.586 6.609 -14.944 690 2HD ARG 91 2HD ARG 91 8.367 7.861 -14.711 691 HE ARG 91 HE ARG 91 9.887 7.079 -12.357 692 1HH1 ARG 91 1HH1 ARG 91 9.437 9.376 -14.958 693 2HH1 ARG 91 2HH1 ARG 91 10.400 10.612 -14.198 694 1HH2 ARG 91 1HH2 ARG 91 11.151 8.670 -11.353 695 2HH2 ARG 91 2HH2 ARG 91 11.365 10.216 -12.124 696 H PHE 92 H PHE 92 4.557 4.822 -10.334 697 HA PHE 92 HA PHE 92 4.082 7.266 -8.806 698 1HB PHE 92 1HB PHE 92 2.432 7.245 -10.660 699 2HB PHE 92 2HB PHE 92 1.868 5.666 -10.123 700 HD1 PHE 92 HD1 PHE 92 2.264 9.182 -8.977 701 HD2 PHE 92 HD2 PHE 92 0.157 5.508 -8.561 702 HE1 PHE 92 HE1 PHE 92 0.670 10.275 -7.454 703 HE2 PHE 92 HE2 PHE 92 -1.448 6.597 -7.045 704 HZ PHE 92 HZ PHE 92 -1.190 8.985 -6.490 705 HA PRO 93 HA PRO 93 4.250 3.689 -5.986 706 1HB PRO 93 1HB PRO 93 5.467 5.540 -4.118 707 2HB PRO 93 2HB PRO 93 6.159 4.089 -4.842 708 1HG PRO 93 1HG PRO 93 7.007 6.599 -5.436 709 2HG PRO 93 2HG PRO 93 7.106 5.246 -6.575 710 1HD PRO 93 1HD PRO 93 5.104 7.473 -6.438 711 2HD PRO 93 2HD PRO 93 5.872 6.728 -7.859 712 H ALA 94 H ALA 94 2.680 3.213 -4.604 713 HA ALA 94 HA ALA 94 1.533 5.127 -2.807 714 1HB ALA 94 1HB ALA 94 0.358 5.759 -4.848 715 2HB ALA 94 2HB ALA 94 -0.752 5.005 -3.702 716 3HB ALA 94 3HB ALA 94 -0.155 4.088 -5.086 717 H THR 95 H THR 95 -0.720 3.941 -2.031 718 HA THR 95 HA THR 95 0.128 1.251 -1.234 719 HB THR 95 HB THR 95 -2.176 2.871 -0.132 720 HG1 THR 95 HG1 THR 95 0.563 3.030 0.334 721 1HG2 THR 95 1HG2 THR 95 -2.259 0.474 0.351 722 2HG2 THR 95 2HG2 THR 95 -1.924 1.400 1.813 723 3HG2 THR 95 3HG2 THR 95 -0.620 0.541 0.995 724 H LEU 96 H LEU 96 -0.585 -0.269 -2.615 725 HA LEU 96 HA LEU 96 -3.162 0.109 -3.941 726 1HB LEU 96 1HB LEU 96 -1.009 -1.970 -4.344 727 2HB LEU 96 2HB LEU 96 -2.498 -1.886 -5.266 728 HG LEU 96 HG LEU 96 -0.297 0.185 -5.252 729 1HD1 LEU 96 1HD1 LEU 96 0.012 -0.499 -7.583 730 2HD1 LEU 96 2HD1 LEU 96 -1.215 -1.749 -7.374 731 3HD1 LEU 96 3HD1 LEU 96 0.295 -1.836 -6.466 732 1HD2 LEU 96 1HD2 LEU 96 -1.585 1.290 -7.007 733 2HD2 LEU 96 2HD2 LEU 96 -2.495 1.221 -5.497 734 3HD2 LEU 96 3HD2 LEU 96 -2.878 0.109 -6.811 735 H VAL 97 H VAL 97 -4.924 -0.698 -3.045 736 HA VAL 97 HA VAL 97 -4.641 -2.952 -1.189 737 HB VAL 97 HB VAL 97 -5.696 -1.021 -0.183 738 1HG1 VAL 97 1HG1 VAL 97 -6.572 0.085 -2.149 739 2HG1 VAL 97 2HG1 VAL 97 -7.861 -0.165 -0.972 740 3HG1 VAL 97 3HG1 VAL 97 -7.744 -1.212 -2.386 741 1HG2 VAL 97 1HG2 VAL 97 -6.473 -3.190 0.560 742 2HG2 VAL 97 2HG2 VAL 97 -7.681 -3.224 -0.724 743 3HG2 VAL 97 3HG2 VAL 97 -7.809 -2.038 0.574 744 H PHE 98 H PHE 98 -5.422 -4.883 -1.665 745 HA PHE 98 HA PHE 98 -7.211 -5.126 -3.992 746 1HB PHE 98 1HB PHE 98 -5.063 -7.077 -3.144 747 2HB PHE 98 2HB PHE 98 -6.144 -7.268 -4.517 748 HD1 PHE 98 HD1 PHE 98 -3.079 -5.816 -3.309 749 HD2 PHE 98 HD2 PHE 98 -5.945 -5.699 -6.452 750 HE1 PHE 98 HE1 PHE 98 -1.456 -4.649 -4.743 751 HE2 PHE 98 HE2 PHE 98 -4.328 -4.531 -7.892 752 HZ PHE 98 HZ PHE 98 -2.079 -4.006 -7.040 753 H THR 99 H THR 99 -9.008 -6.285 -3.720 754 HA THR 99 HA THR 99 -9.284 -7.805 -1.213 755 HB THR 99 HB THR 99 -11.745 -7.301 -1.368 756 HG1 THR 99 HG1 THR 99 -11.536 -6.614 -3.657 757 1HG2 THR 99 1HG2 THR 99 -11.543 -5.003 -0.479 758 2HG2 THR 99 2HG2 THR 99 -9.874 -4.949 -1.047 759 3HG2 THR 99 3HG2 THR 99 -10.341 -6.095 0.209 760 H GLY 100 H GLY 100 -9.686 -9.911 -1.474 761 1HA GLY 100 1HA GLY 100 -10.147 -11.911 -2.508 762 2HA GLY 100 2HA GLY 100 -11.311 -11.028 -3.485 763 H GLY 101 H GLY 101 -7.993 -10.071 -3.525 764 1HA GLY 101 1HA GLY 101 -6.324 -10.383 -5.111 765 2HA GLY 101 2HA GLY 101 -7.330 -11.595 -5.890 766 H ASN 102 H ASN 102 -9.243 -8.967 -5.422 767 HA ASN 102 HA ASN 102 -8.835 -8.073 -8.178 768 1HB ASN 102 1HB ASN 102 -11.183 -7.692 -6.317 769 2HB ASN 102 2HB ASN 102 -11.110 -7.106 -7.973 770 1HD2 ASN 102 1HD2 ASN 102 -9.655 -9.532 -8.823 771 2HD2 ASN 102 2HD2 ASN 102 -10.857 -10.775 -8.933 772 H TYR 103 H TYR 103 -8.512 -5.942 -8.700 773 HA TYR 103 HA TYR 103 -7.225 -4.301 -6.796 774 1HB TYR 103 1HB TYR 103 -6.713 -4.194 -9.196 775 2HB TYR 103 2HB TYR 103 -8.341 -3.613 -9.527 776 HD1 TYR 103 HD1 TYR 103 -5.349 -2.708 -7.473 777 HD2 TYR 103 HD2 TYR 103 -8.660 -1.344 -9.769 778 HE1 TYR 103 HE1 TYR 103 -4.569 -0.391 -7.213 779 HE2 TYR 103 HE2 TYR 103 -7.887 0.975 -9.520 780 HH TYR 103 HH TYR 103 -4.786 1.763 -8.316 781 H ARG 104 H ARG 104 -8.203 -3.299 -5.177 782 HA ARG 104 HA ARG 104 -11.028 -2.654 -5.347 783 1HB ARG 104 1HB ARG 104 -10.045 -3.713 -3.313 784 2HB ARG 104 2HB ARG 104 -9.105 -2.254 -3.047 785 1HG ARG 104 1HG ARG 104 -10.890 -1.949 -1.626 786 2HG ARG 104 2HG ARG 104 -11.406 -1.062 -3.059 787 1HD ARG 104 1HD ARG 104 -12.234 -3.855 -2.284 788 2HD ARG 104 2HD ARG 104 -13.228 -2.406 -2.175 789 HE ARG 104 HE ARG 104 -12.346 -3.672 -4.688 790 1HH1 ARG 104 1HH1 ARG 104 -14.567 -1.640 -2.897 791 2HH1 ARG 104 2HH1 ARG 104 -15.736 -1.573 -4.184 792 1HH2 ARG 104 1HH2 ARG 104 -13.871 -3.571 -6.386 793 2HH2 ARG 104 2HH2 ARG 104 -15.325 -2.636 -6.174 794 H GLY 105 H GLY 105 -7.972 -0.943 -4.697 795 1HA GLY 105 1HA GLY 105 -8.602 1.316 -6.214 796 2HA GLY 105 2HA GLY 105 -9.109 1.636 -4.563 797 H VAL 106 H VAL 106 -7.411 3.378 -5.043 798 HA VAL 106 HA VAL 106 -4.795 2.344 -4.180 799 HB VAL 106 HB VAL 106 -4.663 3.071 -6.519 800 1HG1 VAL 106 1HG1 VAL 106 -5.539 5.769 -5.499 801 2HG1 VAL 106 2HG1 VAL 106 -6.465 4.700 -6.553 802 3HG1 VAL 106 3HG1 VAL 106 -4.964 5.425 -7.130 803 1HG2 VAL 106 1HG2 VAL 106 -3.254 4.938 -4.617 804 2HG2 VAL 106 2HG2 VAL 106 -2.799 4.651 -6.297 805 3HG2 VAL 106 3HG2 VAL 106 -2.697 3.341 -5.119 806 H LEU 107 H LEU 107 -3.855 3.324 -2.487 807 HA LEU 107 HA LEU 107 -5.128 5.760 -1.417 808 1HB LEU 107 1HB LEU 107 -3.968 3.418 0.097 809 2HB LEU 107 2HB LEU 107 -4.460 4.928 0.840 810 HG LEU 107 HG LEU 107 -6.316 3.066 -0.643 811 1HD1 LEU 107 1HD1 LEU 107 -5.950 3.494 2.320 812 2HD1 LEU 107 2HD1 LEU 107 -5.474 2.056 1.418 813 3HD1 LEU 107 3HD1 LEU 107 -7.178 2.479 1.561 814 1HD2 LEU 107 1HD2 LEU 107 -8.082 4.440 0.318 815 2HD2 LEU 107 2HD2 LEU 107 -7.007 5.418 -0.681 816 3HD2 LEU 107 3HD2 LEU 107 -6.879 5.483 1.077 817 H ASN 108 H ASN 108 -3.699 7.159 -0.199 818 HA ASN 108 HA ASN 108 -0.842 6.759 -0.745 819 1HB ASN 108 1HB ASN 108 -2.402 9.315 -1.179 820 2HB ASN 108 2HB ASN 108 -0.645 9.229 -1.165 821 1HD2 ASN 108 1HD2 ASN 108 0.427 8.244 -2.893 822 2HD2 ASN 108 2HD2 ASN 108 -0.367 7.914 -4.391 823 H GLY 109 H GLY 109 0.539 7.456 0.855 824 1HA GLY 109 1HA GLY 109 -0.547 7.667 3.473 825 2HA GLY 109 2HA GLY 109 1.144 7.840 3.037 826 H ILE 110 H ILE 110 0.105 9.387 5.004 827 HA ILE 110 HA ILE 110 -0.125 11.497 5.766 828 HB ILE 110 HB ILE 110 1.203 12.190 3.149 829 1HG1 ILE 110 1HG1 ILE 110 3.105 12.714 4.806 830 2HG1 ILE 110 2HG1 ILE 110 2.170 11.766 5.945 831 1HG2 ILE 110 1HG2 ILE 110 0.701 13.976 5.519 832 2HG2 ILE 110 2HG2 ILE 110 -0.076 14.111 3.942 833 3HG2 ILE 110 3HG2 ILE 110 1.658 14.393 4.099 834 1HD1 ILE 110 1HD1 ILE 110 3.321 10.801 3.347 835 2HD1 ILE 110 2HD1 ILE 110 2.305 9.843 4.423 836 3HD1 ILE 110 3HD1 ILE 110 3.884 10.406 4.970 837 H HIS 111 H HIS 111 -2.323 11.493 5.870 838 HA HIS 111 HA HIS 111 -3.667 13.382 4.151 839 1HB HIS 111 1HB HIS 111 -4.284 10.452 4.071 840 2HB HIS 111 2HB HIS 111 -5.625 11.587 3.987 841 HD1 HIS 111 HD1 HIS 111 -3.247 9.877 1.885 842 HD2 HIS 111 HD2 HIS 111 -5.227 13.532 1.772 843 HE1 HIS 111 HE1 HIS 111 -3.120 10.646 -0.506 844 HE2 HIS 111 HE2 HIS 111 -4.132 12.954 -0.494 845 HA PRO 112 HA PRO 112 -5.837 14.302 7.929 846 1HB PRO 112 1HB PRO 112 -8.315 14.883 6.814 847 2HB PRO 112 2HB PRO 112 -6.984 16.031 6.991 848 1HG PRO 112 1HG PRO 112 -7.822 14.454 4.602 849 2HG PRO 112 2HG PRO 112 -7.224 16.120 4.695 850 1HD PRO 112 1HD PRO 112 -5.648 14.113 3.870 851 2HD PRO 112 2HD PRO 112 -5.009 15.447 4.852 852 H TRP 113 H TRP 113 -7.002 13.114 9.365 853 HA TRP 113 HA TRP 113 -7.419 10.409 8.799 854 1HB TRP 113 1HB TRP 113 -6.884 11.312 11.028 855 2HB TRP 113 2HB TRP 113 -8.488 12.027 11.115 856 HD1 TRP 113 HD1 TRP 113 -9.704 10.667 12.922 857 HE1 TRP 113 HE1 TRP 113 -10.150 8.171 13.364 858 HE3 TRP 113 HE3 TRP 113 -6.788 8.660 9.223 859 HZ2 TRP 113 HZ2 TRP 113 -9.373 5.687 12.279 860 HZ3 TRP 113 HZ3 TRP 113 -6.705 6.212 8.993 861 HH2 TRP 113 HH2 TRP 113 -7.975 4.760 10.484 862 H ALA 114 H ALA 114 -9.755 13.065 9.125 863 HA ALA 114 HA ALA 114 -12.093 11.529 8.913 864 1HB ALA 114 1HB ALA 114 -13.209 13.614 8.305 865 2HB ALA 114 2HB ALA 114 -11.643 14.380 8.032 866 3HB ALA 114 3HB ALA 114 -12.098 13.856 9.655 867 H GLU 115 H GLU 115 -10.076 13.018 6.417 868 HA GLU 115 HA GLU 115 -11.766 12.255 4.246 869 1HB GLU 115 1HB GLU 115 -10.237 14.147 4.041 870 2HB GLU 115 2HB GLU 115 -8.855 13.093 4.300 871 1HG GLU 115 1HG GLU 115 -9.355 11.927 2.207 872 2HG GLU 115 2HG GLU 115 -10.731 12.997 1.944 873 H LEU 116 H LEU 116 -8.938 10.895 5.818 874 HA LEU 116 HA LEU 116 -8.361 8.882 3.946 875 1HB LEU 116 1HB LEU 116 -6.866 9.694 5.785 876 2HB LEU 116 2HB LEU 116 -7.861 8.809 6.922 877 HG LEU 116 HG LEU 116 -7.260 6.701 5.821 878 1HD1 LEU 116 1HD1 LEU 116 -5.484 6.663 4.132 879 2HD1 LEU 116 2HD1 LEU 116 -5.488 8.428 4.092 880 3HD1 LEU 116 3HD1 LEU 116 -6.910 7.528 3.560 881 1HD2 LEU 116 1HD2 LEU 116 -5.920 7.487 7.696 882 2HD2 LEU 116 2HD2 LEU 116 -4.888 8.400 6.594 883 3HD2 LEU 116 3HD2 LEU 116 -4.913 6.636 6.524 884 H ILE 117 H ILE 117 -10.351 8.817 6.913 885 HA ILE 117 HA ILE 117 -11.102 6.102 6.765 886 HB ILE 117 HB ILE 117 -12.803 8.383 7.811 887 1HG1 ILE 117 1HG1 ILE 117 -10.861 6.607 9.307 888 2HG1 ILE 117 2HG1 ILE 117 -10.584 8.300 8.895 889 1HG2 ILE 117 1HG2 ILE 117 -12.890 5.418 8.370 890 2HG2 ILE 117 2HG2 ILE 117 -14.076 6.347 7.451 891 3HG2 ILE 117 3HG2 ILE 117 -13.872 6.640 9.178 892 1HD1 ILE 117 1HD1 ILE 117 -12.474 8.952 10.282 893 2HD1 ILE 117 2HD1 ILE 117 -11.285 8.037 11.211 894 3HD1 ILE 117 3HD1 ILE 117 -12.774 7.262 10.677 895 H ASN 118 H ASN 118 -12.669 9.026 5.529 896 HA ASN 118 HA ASN 118 -15.008 7.991 4.506 897 1HB ASN 118 1HB ASN 118 -14.276 10.415 4.590 898 2HB ASN 118 2HB ASN 118 -13.353 10.110 3.129 899 1HD2 ASN 118 1HD2 ASN 118 -14.528 11.560 1.910 900 2HD2 ASN 118 2HD2 ASN 118 -16.152 11.235 1.399 901 H LEU 119 H LEU 119 -11.983 8.496 2.739 902 HA LEU 119 HA LEU 119 -12.873 7.313 0.345 903 1HB LEU 119 1HB LEU 119 -10.042 7.661 1.334 904 2HB LEU 119 2HB LEU 119 -10.516 7.341 -0.322 905 HG LEU 119 HG LEU 119 -11.162 9.838 1.246 906 1HD1 LEU 119 1HD1 LEU 119 -9.654 10.928 -0.341 907 2HD1 LEU 119 2HD1 LEU 119 -9.276 9.359 -1.056 908 3HD1 LEU 119 3HD1 LEU 119 -8.823 9.703 0.614 909 1HD2 LEU 119 1HD2 LEU 119 -11.765 9.123 -1.625 910 2HD2 LEU 119 2HD2 LEU 119 -12.045 10.690 -0.871 911 3HD2 LEU 119 3HD2 LEU 119 -12.945 9.277 -0.324 912 H MET 120 H MET 120 -11.028 5.970 3.062 913 HA MET 120 HA MET 120 -10.415 3.504 1.797 914 1HB MET 120 1HB MET 120 -9.535 4.683 4.016 915 2HB MET 120 2HB MET 120 -10.749 3.649 4.755 916 1HG MET 120 1HG MET 120 -8.521 2.680 2.980 917 2HG MET 120 2HG MET 120 -8.482 2.680 4.740 918 1HE MET 120 1HE MET 120 -8.813 -1.114 3.796 919 2HE MET 120 2HE MET 120 -7.834 0.109 4.606 920 3HE MET 120 3HE MET 120 -7.975 0.114 2.847 921 H ARG 121 H ARG 121 -12.951 4.476 4.049 922 HA ARG 121 HA ARG 121 -14.260 1.975 4.193 923 1HB ARG 121 1HB ARG 121 -14.429 3.962 5.773 924 2HB ARG 121 2HB ARG 121 -15.499 4.697 4.595 925 1HG ARG 121 1HG ARG 121 -17.163 3.053 4.941 926 2HG ARG 121 2HG ARG 121 -16.052 2.027 5.857 927 1HD ARG 121 1HD ARG 121 -15.912 3.699 7.612 928 2HD ARG 121 2HD ARG 121 -16.938 4.788 6.687 929 HE ARG 121 HE ARG 121 -18.776 3.275 7.088 930 1HH1 ARG 121 1HH1 ARG 121 -15.871 2.587 8.933 931 2HH1 ARG 121 2HH1 ARG 121 -16.752 1.916 10.282 932 1HH2 ARG 121 1HH2 ARG 121 -19.927 2.393 8.892 933 2HH2 ARG 121 2HH2 ARG 121 -19.020 1.802 10.254 934 H GLY 122 H GLY 122 -14.542 4.718 2.006 935 1HA GLY 122 1HA GLY 122 -16.866 3.775 0.650 936 2HA GLY 122 2HA GLY 122 -15.713 4.954 0.037 937 H LEU 123 H LEU 123 -13.435 3.141 0.326 938 HA LEU 123 HA LEU 123 -13.668 1.809 -2.199 939 1HB LEU 123 1HB LEU 123 -11.472 1.888 -0.140 940 2HB LEU 123 2HB LEU 123 -11.350 0.969 -1.625 941 HG LEU 123 HG LEU 123 -11.669 3.965 -1.427 942 1HD1 LEU 123 1HD1 LEU 123 -9.389 4.020 -2.325 943 2HD1 LEU 123 2HD1 LEU 123 -9.316 2.260 -2.233 944 3HD1 LEU 123 3HD1 LEU 123 -9.456 3.215 -0.757 945 1HD2 LEU 123 1HD2 LEU 123 -12.779 3.113 -3.403 946 2HD2 LEU 123 2HD2 LEU 123 -11.348 2.173 -3.833 947 3HD2 LEU 123 3HD2 LEU 123 -11.283 3.935 -3.855 948 H VAL 124 H VAL 124 -13.107 0.649 1.150 949 HA VAL 124 HA VAL 124 -13.252 -2.084 0.432 950 HB VAL 124 HB VAL 124 -13.629 -2.541 2.854 951 1HG1 VAL 124 1HG1 VAL 124 -11.384 -0.646 2.192 952 2HG1 VAL 124 2HG1 VAL 124 -11.390 -2.390 1.941 953 3HG1 VAL 124 3HG1 VAL 124 -11.434 -1.736 3.577 954 1HG2 VAL 124 1HG2 VAL 124 -14.922 -0.530 3.399 955 2HG2 VAL 124 2HG2 VAL 124 -13.484 0.458 3.142 956 3HG2 VAL 124 3HG2 VAL 124 -13.522 -0.719 4.456 957 H GLU 125 H GLU 125 -15.697 0.205 1.499 958 HA GLU 125 HA GLU 125 -17.950 0.124 1.647 959 1HB GLU 125 1HB GLU 125 -17.663 0.355 -0.686 960 2HB GLU 125 2HB GLU 125 -17.297 -1.345 -0.874 961 1HG GLU 125 1HG GLU 125 -19.628 -1.893 -0.329 962 2HG GLU 125 2HG GLU 125 -19.977 -0.173 -0.147 963 HA PRO 126 HA PRO 126 -18.306 -3.999 3.617 964 1HB PRO 126 1HB PRO 126 -19.222 -3.141 5.992 965 2HB PRO 126 2HB PRO 126 -17.506 -3.060 5.574 966 1HG PRO 126 1HG PRO 126 -19.567 -0.897 5.553 967 2HG PRO 126 2HG PRO 126 -17.876 -0.830 6.079 968 1HD PRO 126 1HD PRO 126 -18.779 0.054 3.634 969 2HD PRO 126 2HD PRO 126 -17.110 -0.450 3.965 970 H GLN 127 H GLN 127 -20.239 -4.979 4.816 971 HA GLN 127 HA GLN 127 -22.631 -4.476 3.340 972 1HB GLN 127 1HB GLN 127 -22.026 -6.307 5.661 973 2HB GLN 127 2HB GLN 127 -23.531 -6.294 4.774 974 1HG GLN 127 1HG GLN 127 -20.831 -6.963 3.642 975 2HG GLN 127 2HG GLN 127 -22.097 -8.116 4.054 976 1HE2 GLN 127 1HE2 GLN 127 -20.979 -5.780 1.769 977 2HE2 GLN 127 2HE2 GLN 127 -22.183 -6.090 0.558 978 H GLN 128 H GLN 128 -21.257 -3.049 5.902 979 HA GLN 128 HA GLN 128 -21.834 -1.611 7.515 980 1HB GLN 128 1HB GLN 128 -23.094 -0.707 5.429 981 2HB GLN 128 2HB GLN 128 -24.535 -1.282 6.259 982 1HG GLN 128 1HG GLN 128 -23.803 0.066 8.235 983 2HG GLN 128 2HG GLN 128 -22.566 0.774 7.202 984 1HE2 GLN 128 1HE2 GLN 128 -23.193 2.124 5.492 985 2HE2 GLN 128 2HE2 GLN 128 -24.758 2.856 5.440 986 H GLU 129 H GLU 129 -21.854 -3.738 8.698 987 HA GLU 129 HA GLU 129 -24.487 -4.172 9.933 988 1HB GLU 129 1HB GLU 129 -23.386 -6.149 8.883 989 2HB GLU 129 2HB GLU 129 -22.049 -5.960 10.003 990 1HG GLU 129 1HG GLU 129 -23.526 -7.730 10.724 991 2HG GLU 129 2HG GLU 129 -23.546 -6.400 11.878 992 H ARG 130 H ARG 130 -22.229 -2.171 10.370 993 HA ARG 130 HA ARG 130 -22.123 -2.488 13.292 994 1HB ARG 130 1HB ARG 130 -20.005 -1.267 11.512 995 2HB ARG 130 2HB ARG 130 -19.994 -1.187 13.267 996 1HG ARG 130 1HG ARG 130 -19.994 -3.707 13.269 997 2HG ARG 130 2HG ARG 130 -19.705 -3.623 11.530 998 1HD ARG 130 1HD ARG 130 -17.600 -3.889 12.675 999 2HD ARG 130 2HD ARG 130 -17.680 -2.274 11.968 1000 HE ARG 130 HE ARG 130 -18.590 -1.904 14.501 1001 1HH1 ARG 130 1HH1 ARG 130 -15.664 -3.273 13.133 1002 2HH1 ARG 130 2HH1 ARG 130 -14.699 -2.939 14.544 1003 1HH2 ARG 130 1HH2 ARG 130 -17.313 -1.414 16.317 1004 2HH2 ARG 130 2HH2 ARG 130 -15.628 -1.849 16.343 1005 H ALA 131 H ALA 131 -23.744 -1.253 13.895 1006 HA ALA 131 HA ALA 131 -24.955 0.579 14.414 1007 1HB ALA 131 1HB ALA 131 -23.920 2.762 14.398 1008 2HB ALA 131 2HB ALA 131 -22.632 2.175 13.348 1009 3HB ALA 131 3HB ALA 131 -22.776 1.560 14.994 1010 H SER 132 H SER 132 -25.875 2.692 13.436 1011 HA SER 132 HA SER 132 -26.557 2.136 10.629 1012 1HB SER 132 1HB SER 132 -27.996 3.605 12.832 1013 2HB SER 132 2HB SER 132 -28.483 3.681 11.146 1014 HG SER 132 HG SER 132 -28.077 1.123 11.959 Start of MODEL 15 1 1H MET 1 1H MET 1 15.482 5.924 -8.861 2 HA MET 1 HA MET 1 17.174 7.561 -7.281 3 1HB MET 1 1HB MET 1 15.920 5.284 -5.730 4 2HB MET 1 2HB MET 1 17.259 6.277 -5.180 5 1HG MET 1 1HG MET 1 15.772 8.253 -5.249 6 2HG MET 1 2HG MET 1 14.439 7.190 -5.693 7 1HE MET 1 1HE MET 1 13.540 8.102 -2.003 8 2HE MET 1 2HE MET 1 12.957 8.007 -3.664 9 3HE MET 1 3HE MET 1 14.233 9.150 -3.241 10 H SER 2 H SER 2 19.203 6.895 -7.654 11 HA SER 2 HA SER 2 19.552 4.222 -8.821 12 1HB SER 2 1HB SER 2 20.247 6.307 -10.108 13 2HB SER 2 2HB SER 2 21.515 6.525 -8.904 14 HG SER 2 HG SER 2 21.765 5.171 -11.034 15 H ASN 3 H ASN 3 21.441 6.502 -6.832 16 HA ASN 3 HA ASN 3 22.595 4.292 -5.328 17 1HB ASN 3 1HB ASN 3 24.018 6.224 -5.897 18 2HB ASN 3 2HB ASN 3 22.926 7.292 -5.021 19 1HD2 ASN 3 1HD2 ASN 3 22.939 7.295 -2.792 20 2HD2 ASN 3 2HD2 ASN 3 24.207 6.563 -1.867 21 H ASP 4 H ASP 4 21.308 3.385 -3.871 22 HA ASP 4 HA ASP 4 19.030 4.794 -2.853 23 1HB ASP 4 1HB ASP 4 18.959 2.388 -3.467 24 2HB ASP 4 2HB ASP 4 20.023 2.041 -2.108 25 H THR 5 H THR 5 18.571 5.347 -0.801 26 HA THR 5 HA THR 5 20.329 5.111 1.399 27 HB THR 5 HB THR 5 20.198 7.890 0.203 28 HG1 THR 5 HG1 THR 5 21.903 5.850 -0.324 29 1HG2 THR 5 1HG2 THR 5 20.315 7.870 2.631 30 2HG2 THR 5 2HG2 THR 5 21.836 8.437 1.943 31 3HG2 THR 5 3HG2 THR 5 21.712 6.794 2.568 32 HA PRO 6 HA PRO 6 16.445 7.745 2.440 33 1HB PRO 6 1HB PRO 6 14.938 8.211 0.002 34 2HB PRO 6 2HB PRO 6 15.589 9.392 1.140 35 1HG PRO 6 1HG PRO 6 16.541 9.089 -1.390 36 2HG PRO 6 2HG PRO 6 17.546 9.637 -0.034 37 1HD PRO 6 1HD PRO 6 17.330 6.909 -1.251 38 2HD PRO 6 2HD PRO 6 18.777 7.798 -0.742 39 H PHE 7 H PHE 7 15.795 5.812 -0.496 40 HA PHE 7 HA PHE 7 13.364 4.731 0.436 41 1HB PHE 7 1HB PHE 7 13.973 4.677 -1.950 42 2HB PHE 7 2HB PHE 7 15.296 3.569 -1.594 43 HD1 PHE 7 HD1 PHE 7 14.905 1.238 -1.294 44 HD2 PHE 7 HD2 PHE 7 11.640 3.935 -1.676 45 HE1 PHE 7 HE1 PHE 7 13.368 -0.668 -1.525 46 HE2 PHE 7 HE2 PHE 7 10.096 2.036 -1.919 47 HZ PHE 7 HZ PHE 7 10.957 -0.268 -1.839 48 H ASP 8 H ASP 8 16.684 3.496 0.470 49 HA ASP 8 HA ASP 8 16.394 1.097 1.769 50 1HB ASP 8 1HB ASP 8 18.549 2.084 1.026 51 2HB ASP 8 2HB ASP 8 18.484 3.194 2.377 52 H ALA 9 H ALA 9 16.825 4.256 3.249 53 HA ALA 9 HA ALA 9 16.502 3.470 5.927 54 1HB ALA 9 1HB ALA 9 15.824 6.149 4.722 55 2HB ALA 9 2HB ALA 9 17.429 5.636 5.246 56 3HB ALA 9 3HB ALA 9 16.132 5.814 6.428 57 H LEU 10 H LEU 10 14.073 4.796 3.674 58 HA LEU 10 HA LEU 10 11.859 4.767 5.363 59 1HB LEU 10 1HB LEU 10 12.363 4.828 2.472 60 2HB LEU 10 2HB LEU 10 10.816 4.128 2.904 61 HG LEU 10 HG LEU 10 10.618 6.503 2.389 62 1HD1 LEU 10 1HD1 LEU 10 10.200 5.897 5.310 63 2HD1 LEU 10 2HD1 LEU 10 9.084 5.509 3.999 64 3HD1 LEU 10 3HD1 LEU 10 9.423 7.193 4.401 65 1HD2 LEU 10 1HD2 LEU 10 12.849 7.241 3.030 66 2HD2 LEU 10 2HD2 LEU 10 12.479 6.919 4.724 67 3HD2 LEU 10 3HD2 LEU 10 11.614 8.189 3.860 68 H TRP 11 H TRP 11 13.124 2.242 3.231 69 HA TRP 11 HA TRP 11 11.046 0.382 3.680 70 1HB TRP 11 1HB TRP 11 12.916 0.509 1.830 71 2HB TRP 11 2HB TRP 11 13.828 -0.475 2.968 72 HD1 TRP 11 HD1 TRP 11 10.061 -0.950 2.471 73 HE1 TRP 11 HE1 TRP 11 9.657 -3.266 1.428 74 HE3 TRP 11 HE3 TRP 11 14.909 -2.298 1.582 75 HZ2 TRP 11 HZ2 TRP 11 11.190 -5.379 0.364 76 HZ3 TRP 11 HZ3 TRP 11 15.352 -4.485 0.551 77 HH2 TRP 11 HH2 TRP 11 13.529 -5.992 -0.045 78 H GLN 12 H GLN 12 14.279 0.773 5.101 79 HA GLN 12 HA GLN 12 14.315 -1.429 6.787 80 1HB GLN 12 1HB GLN 12 15.608 1.262 6.837 81 2HB GLN 12 2HB GLN 12 15.755 0.224 8.242 82 1HG GLN 12 1HG GLN 12 16.559 -0.525 5.443 83 2HG GLN 12 2HG GLN 12 17.656 0.027 6.706 84 1HE2 GLN 12 1HE2 GLN 12 16.244 -1.399 8.802 85 2HE2 GLN 12 2HE2 GLN 12 16.614 -3.083 8.601 86 H ARG 13 H ARG 13 12.914 1.769 7.302 87 HA ARG 13 HA ARG 13 12.221 1.478 10.003 88 1HB ARG 13 1HB ARG 13 10.869 3.076 7.823 89 2HB ARG 13 2HB ARG 13 10.526 3.245 9.538 90 1HG ARG 13 1HG ARG 13 13.186 3.759 8.217 91 2HG ARG 13 2HG ARG 13 12.039 4.990 8.746 92 1HD ARG 13 1HD ARG 13 13.311 2.961 10.577 93 2HD ARG 13 2HD ARG 13 13.933 4.592 10.325 94 HE ARG 13 HE ARG 13 11.161 4.489 11.126 95 1HH1 ARG 13 1HH1 ARG 13 14.484 4.623 12.227 96 2HH1 ARG 13 2HH1 ARG 13 14.077 5.333 13.755 97 1HH2 ARG 13 1HH2 ARG 13 10.631 5.430 13.147 98 2HH2 ARG 13 2HH2 ARG 13 11.905 5.802 14.271 99 H MET 14 H MET 14 10.195 0.959 7.113 100 HA MET 14 HA MET 14 7.996 -0.109 8.506 101 1HB MET 14 1HB MET 14 8.881 -0.522 5.650 102 2HB MET 14 2HB MET 14 7.338 -1.062 6.289 103 1HG MET 14 1HG MET 14 6.817 1.301 6.861 104 2HG MET 14 2HG MET 14 8.304 1.775 6.043 105 1HE MET 14 1HE MET 14 8.742 1.377 3.436 106 2HE MET 14 2HE MET 14 7.558 0.656 2.349 107 3HE MET 14 3HE MET 14 8.329 -0.329 3.590 108 H LEU 15 H LEU 15 10.928 -1.579 7.283 109 HA LEU 15 HA LEU 15 10.151 -4.281 7.419 110 1HB LEU 15 1HB LEU 15 12.642 -2.781 7.118 111 2HB LEU 15 2HB LEU 15 12.851 -4.306 7.954 112 HG LEU 15 HG LEU 15 13.222 -4.397 5.473 113 1HD1 LEU 15 1HD1 LEU 15 11.013 -6.124 6.583 114 2HD1 LEU 15 2HD1 LEU 15 12.748 -6.401 6.763 115 3HD1 LEU 15 3HD1 LEU 15 12.001 -6.491 5.168 116 1HD2 LEU 15 1HD2 LEU 15 11.468 -2.891 4.756 117 2HD2 LEU 15 2HD2 LEU 15 10.239 -3.979 5.398 118 3HD2 LEU 15 3HD2 LEU 15 11.236 -4.482 4.033 119 H ALA 16 H ALA 16 11.249 -2.059 9.881 120 HA ALA 16 HA ALA 16 12.008 -3.889 11.855 121 1HB ALA 16 1HB ALA 16 11.686 -2.092 13.433 122 2HB ALA 16 2HB ALA 16 10.706 -1.208 12.265 123 3HB ALA 16 3HB ALA 16 12.423 -1.467 11.959 124 H ARG 17 H ARG 17 8.840 -2.868 10.786 125 HA ARG 17 HA ARG 17 7.419 -3.862 13.058 126 1HB ARG 17 1HB ARG 17 6.575 -2.978 10.309 127 2HB ARG 17 2HB ARG 17 5.428 -3.570 11.504 128 1HG ARG 17 1HG ARG 17 7.255 -1.206 11.857 129 2HG ARG 17 2HG ARG 17 5.536 -1.137 11.476 130 1HD ARG 17 1HD ARG 17 5.242 -2.560 13.601 131 2HD ARG 17 2HD ARG 17 6.875 -2.035 13.996 132 HE ARG 17 HE ARG 17 5.944 0.300 13.774 133 1HH1 ARG 17 1HH1 ARG 17 3.977 -2.447 14.712 134 2HH1 ARG 17 2HH1 ARG 17 2.815 -1.473 15.566 135 1HH2 ARG 17 1HH2 ARG 17 4.396 1.566 14.917 136 2HH2 ARG 17 2HH2 ARG 17 3.043 0.781 15.673 137 H GLY 18 H GLY 18 8.949 -5.443 10.556 138 1HA GLY 18 1HA GLY 18 9.078 -7.774 10.375 139 2HA GLY 18 2HA GLY 18 7.571 -7.910 11.270 140 H TRP 19 H TRP 19 7.590 -5.676 8.663 141 HA TRP 19 HA TRP 19 5.705 -7.263 7.202 142 1HB TRP 19 1HB TRP 19 6.980 -4.583 6.655 143 2HB TRP 19 2HB TRP 19 5.873 -5.356 5.525 144 HD1 TRP 19 HD1 TRP 19 4.231 -6.409 8.398 145 HE1 TRP 19 HE1 TRP 19 2.471 -4.740 9.278 146 HE3 TRP 19 HE3 TRP 19 5.815 -2.205 5.945 147 HZ2 TRP 19 HZ2 TRP 19 1.847 -2.007 8.956 148 HZ3 TRP 19 HZ3 TRP 19 4.580 -0.106 6.285 149 HH2 TRP 19 HH2 TRP 19 2.636 -0.008 7.760 150 H THR 20 H THR 20 6.065 -8.542 5.554 151 HA THR 20 HA THR 20 8.801 -9.274 5.012 152 HB THR 20 HB THR 20 6.253 -10.500 3.933 153 HG1 THR 20 HG1 THR 20 7.786 -11.119 6.272 154 1HG2 THR 20 1HG2 THR 20 7.618 -12.483 3.573 155 2HG2 THR 20 2HG2 THR 20 9.032 -11.654 4.227 156 3HG2 THR 20 3HG2 THR 20 8.312 -11.109 2.712 157 HA PRO 21 HA PRO 21 9.062 -6.969 1.184 158 1HB PRO 21 1HB PRO 21 11.318 -8.236 0.272 159 2HB PRO 21 2HB PRO 21 11.335 -6.904 1.432 160 1HG PRO 21 1HG PRO 21 11.559 -9.843 1.922 161 2HG PRO 21 2HG PRO 21 12.432 -8.504 2.693 162 1HD PRO 21 1HD PRO 21 10.359 -9.750 3.890 163 2HD PRO 21 2HD PRO 21 10.692 -8.022 4.121 164 H VAL 22 H VAL 22 7.993 -7.375 -0.641 165 HA VAL 22 HA VAL 22 7.768 -10.181 -1.520 166 HB VAL 22 HB VAL 22 5.637 -9.164 -0.762 167 1HG1 VAL 22 1HG1 VAL 22 4.540 -7.471 -2.194 168 2HG1 VAL 22 2HG1 VAL 22 6.054 -7.280 -3.078 169 3HG1 VAL 22 3HG1 VAL 22 5.972 -6.864 -1.368 170 1HG2 VAL 22 1HG2 VAL 22 5.759 -9.855 -3.694 171 2HG2 VAL 22 2HG2 VAL 22 4.302 -9.852 -2.700 172 3HG2 VAL 22 3HG2 VAL 22 5.603 -10.987 -2.351 173 H SER 23 H SER 23 8.086 -10.652 -3.675 174 HA SER 23 HA SER 23 9.171 -8.475 -5.316 175 1HB SER 23 1HB SER 23 10.251 -10.401 -6.599 176 2HB SER 23 2HB SER 23 10.860 -10.109 -4.970 177 HG SER 23 HG SER 23 10.505 -12.236 -4.978 178 H GLU 24 H GLU 24 8.864 -8.905 -7.741 179 HA GLU 24 HA GLU 24 6.093 -8.821 -8.273 180 1HB GLU 24 1HB GLU 24 7.847 -7.648 -9.573 181 2HB GLU 24 2HB GLU 24 8.409 -9.194 -10.186 182 1HG GLU 24 1HG GLU 24 5.561 -8.531 -10.633 183 2HG GLU 24 2HG GLU 24 6.757 -7.600 -11.530 184 H SER 25 H SER 25 8.520 -11.353 -8.682 185 HA SER 25 HA SER 25 6.703 -13.174 -9.961 186 1HB SER 25 1HB SER 25 9.165 -13.196 -10.345 187 2HB SER 25 2HB SER 25 9.400 -13.721 -8.681 188 HG SER 25 HG SER 25 9.348 -15.604 -9.675 189 H ARG 26 H ARG 26 7.236 -12.227 -6.759 190 HA ARG 26 HA ARG 26 6.322 -14.781 -5.649 191 1HB ARG 26 1HB ARG 26 8.355 -13.562 -4.691 192 2HB ARG 26 2HB ARG 26 7.224 -12.361 -4.086 193 1HG ARG 26 1HG ARG 26 7.730 -13.881 -2.318 194 2HG ARG 26 2HG ARG 26 6.067 -14.172 -2.833 195 1HD ARG 26 1HD ARG 26 6.831 -16.061 -4.195 196 2HD ARG 26 2HD ARG 26 8.483 -15.778 -3.655 197 HE ARG 26 HE ARG 26 6.258 -16.724 -1.954 198 1HH1 ARG 26 1HH1 ARG 26 9.683 -16.268 -2.537 199 2HH1 ARG 26 2HH1 ARG 26 10.176 -17.322 -1.245 200 1HH2 ARG 26 1HH2 ARG 26 6.898 -18.139 -0.276 201 2HH2 ARG 26 2HH2 ARG 26 8.595 -18.405 0.027 202 H LEU 27 H LEU 27 5.196 -11.814 -6.666 203 HA LEU 27 HA LEU 27 3.213 -11.175 -4.801 204 1HB LEU 27 1HB LEU 27 4.073 -9.897 -6.900 205 2HB LEU 27 2HB LEU 27 2.853 -10.807 -7.765 206 HG LEU 27 HG LEU 27 2.196 -8.475 -7.096 207 1HD1 LEU 27 1HD1 LEU 27 -0.056 -9.075 -6.348 208 2HD1 LEU 27 2HD1 LEU 27 0.498 -10.714 -6.004 209 3HD1 LEU 27 3HD1 LEU 27 0.498 -10.114 -7.661 210 1HD2 LEU 27 1HD2 LEU 27 2.251 -9.689 -4.337 211 2HD2 LEU 27 2HD2 LEU 27 1.492 -8.152 -4.745 212 3HD2 LEU 27 3HD2 LEU 27 3.233 -8.348 -4.930 213 H ASP 28 H ASP 28 3.315 -13.478 -7.440 214 HA ASP 28 HA ASP 28 0.580 -14.211 -7.435 215 1HB ASP 28 1HB ASP 28 2.066 -14.825 -9.279 216 2HB ASP 28 2HB ASP 28 3.023 -15.834 -8.197 217 H ASP 29 H ASP 29 3.395 -15.485 -5.775 218 HA ASP 29 HA ASP 29 2.230 -17.654 -4.442 219 1HB ASP 29 1HB ASP 29 4.676 -17.121 -4.682 220 2HB ASP 29 2HB ASP 29 4.475 -15.899 -3.447 221 H TRP 30 H TRP 30 3.003 -14.430 -3.256 222 HA TRP 30 HA TRP 30 1.746 -14.607 -0.767 223 1HB TRP 30 1HB TRP 30 3.322 -12.805 -1.551 224 2HB TRP 30 2HB TRP 30 1.963 -12.095 -2.416 225 HD1 TRP 30 HD1 TRP 30 -0.140 -11.280 -0.832 226 HE1 TRP 30 HE1 TRP 30 -0.102 -10.246 1.526 227 HE3 TRP 30 HE3 TRP 30 4.524 -12.781 0.617 228 HZ2 TRP 30 HZ2 TRP 30 1.676 -10.106 3.719 229 HZ3 TRP 30 HZ3 TRP 30 5.318 -12.157 2.861 230 HH2 TRP 30 HH2 TRP 30 3.924 -10.847 4.377 231 H LEU 31 H LEU 31 0.398 -13.714 -3.912 232 HA LEU 31 HA LEU 31 -2.056 -12.725 -2.922 233 1HB LEU 31 1HB LEU 31 -1.020 -12.362 -5.216 234 2HB LEU 31 2HB LEU 31 -1.638 -13.949 -5.636 235 HG LEU 31 HG LEU 31 -3.937 -13.147 -5.149 236 1HD1 LEU 31 1HD1 LEU 31 -4.339 -10.754 -4.895 237 2HD1 LEU 31 2HD1 LEU 31 -2.600 -10.455 -4.864 238 3HD1 LEU 31 3HD1 LEU 31 -3.360 -11.373 -3.564 239 1HD2 LEU 31 1HD2 LEU 31 -2.399 -11.529 -7.182 240 2HD2 LEU 31 2HD2 LEU 31 -4.148 -11.755 -7.153 241 3HD2 LEU 31 3HD2 LEU 31 -3.089 -13.136 -7.433 242 H THR 32 H THR 32 -0.968 -15.991 -3.639 243 HA THR 32 HA THR 32 -3.690 -16.989 -3.406 244 HB THR 32 HB THR 32 -2.115 -18.016 -5.051 245 HG1 THR 32 HG1 THR 32 -3.889 -19.193 -3.528 246 1HG2 THR 32 1HG2 THR 32 -0.458 -19.634 -4.253 247 2HG2 THR 32 2HG2 THR 32 -0.788 -19.148 -2.589 248 3HG2 THR 32 3HG2 THR 32 -0.074 -17.998 -3.720 249 H GLN 33 H GLN 33 -0.862 -16.598 -1.417 250 HA GLN 33 HA GLN 33 -1.780 -18.413 0.624 251 1HB GLN 33 1HB GLN 33 0.461 -16.405 0.517 252 2HB GLN 33 2HB GLN 33 0.099 -17.349 1.952 253 1HG GLN 33 1HG GLN 33 0.850 -18.463 -0.743 254 2HG GLN 33 2HG GLN 33 1.911 -18.332 0.657 255 1HE2 GLN 33 1HE2 GLN 33 -0.750 -20.051 -0.775 256 2HE2 GLN 33 2HE2 GLN 33 -0.756 -21.362 0.352 257 H ALA 34 H ALA 34 -1.661 -14.911 0.190 258 HA ALA 34 HA ALA 34 -3.179 -14.464 2.638 259 1HB ALA 34 1HB ALA 34 -2.138 -12.532 0.564 260 2HB ALA 34 2HB ALA 34 -1.336 -12.948 2.076 261 3HB ALA 34 3HB ALA 34 -2.874 -12.087 2.100 262 HA PRO 35 HA PRO 35 -7.098 -14.096 0.480 263 1HB PRO 35 1HB PRO 35 -7.746 -11.761 2.153 264 2HB PRO 35 2HB PRO 35 -8.555 -13.328 2.054 265 1HG PRO 35 1HG PRO 35 -7.100 -12.612 4.201 266 2HG PRO 35 2HG PRO 35 -7.172 -14.289 3.630 267 1HD PRO 35 1HD PRO 35 -5.017 -12.245 3.241 268 2HD PRO 35 2HD PRO 35 -4.875 -13.981 3.596 269 H ASP 36 H ASP 36 -6.299 -10.780 1.475 270 HA ASP 36 HA ASP 36 -5.881 -10.027 -1.324 271 1HB ASP 36 1HB ASP 36 -7.729 -8.616 0.615 272 2HB ASP 36 2HB ASP 36 -7.183 -7.916 -0.903 273 H GLY 37 H GLY 37 -6.176 -8.069 1.619 274 1HA GLY 37 1HA GLY 37 -4.546 -7.022 2.887 275 2HA GLY 37 2HA GLY 37 -3.321 -7.838 1.928 276 H VAL 38 H VAL 38 -2.307 -5.676 2.161 277 HA VAL 38 HA VAL 38 -3.030 -4.032 -0.152 278 HB VAL 38 HB VAL 38 -2.411 -1.968 1.116 279 1HG1 VAL 38 1HG1 VAL 38 -4.770 -3.492 2.218 280 2HG1 VAL 38 2HG1 VAL 38 -4.752 -2.522 0.746 281 3HG1 VAL 38 3HG1 VAL 38 -4.533 -1.748 2.315 282 1HG2 VAL 38 1HG2 VAL 38 -2.593 -3.778 3.522 283 2HG2 VAL 38 2HG2 VAL 38 -2.441 -2.022 3.562 284 3HG2 VAL 38 3HG2 VAL 38 -1.129 -3.007 2.912 285 H VAL 39 H VAL 39 -1.237 -2.901 -1.085 286 HA VAL 39 HA VAL 39 1.390 -3.892 -0.198 287 HB VAL 39 HB VAL 39 0.347 -3.901 -3.045 288 1HG1 VAL 39 1HG1 VAL 39 2.643 -3.131 -3.054 289 2HG1 VAL 39 2HG1 VAL 39 2.561 -4.782 -3.668 290 3HG1 VAL 39 3HG1 VAL 39 3.127 -4.480 -2.024 291 1HG2 VAL 39 1HG2 VAL 39 1.295 -6.137 -1.256 292 2HG2 VAL 39 2HG2 VAL 39 0.815 -6.306 -2.943 293 3HG2 VAL 39 3HG2 VAL 39 -0.372 -5.818 -1.733 294 H LEU 40 H LEU 40 2.854 -2.340 -0.002 295 HA LEU 40 HA LEU 40 2.219 0.303 -1.108 296 1HB LEU 40 1HB LEU 40 4.066 -0.539 1.127 297 2HB LEU 40 2HB LEU 40 4.055 1.080 0.461 298 HG LEU 40 HG LEU 40 1.599 1.192 1.105 299 1HD1 LEU 40 1HD1 LEU 40 1.191 -1.190 1.397 300 2HD1 LEU 40 2HD1 LEU 40 0.852 -0.301 2.883 301 3HD1 LEU 40 3HD1 LEU 40 2.342 -1.232 2.734 302 1HD2 LEU 40 1HD2 LEU 40 3.659 0.915 3.284 303 2HD2 LEU 40 2HD2 LEU 40 2.105 1.732 3.438 304 3HD2 LEU 40 3HD2 LEU 40 3.329 2.365 2.336 305 H LEU 41 H LEU 41 3.408 1.165 -2.685 306 HA LEU 41 HA LEU 41 5.476 -0.354 -3.939 307 1HB LEU 41 1HB LEU 41 4.624 2.513 -4.354 308 2HB LEU 41 2HB LEU 41 5.749 1.647 -5.383 309 HG LEU 41 HG LEU 41 2.837 0.946 -4.977 310 1HD1 LEU 41 1HD1 LEU 41 3.145 2.988 -6.273 311 2HD1 LEU 41 2HD1 LEU 41 2.569 1.668 -7.291 312 3HD1 LEU 41 3HD1 LEU 41 4.264 2.147 -7.344 313 1HD2 LEU 41 1HD2 LEU 41 3.211 -0.644 -6.820 314 2HD2 LEU 41 2HD2 LEU 41 4.154 -1.044 -5.384 315 3HD2 LEU 41 3HD2 LEU 41 4.936 -0.277 -6.767 316 H SER 42 H SER 42 5.397 2.481 -1.857 317 HA SER 42 HA SER 42 8.070 1.935 -0.936 318 1HB SER 42 1HB SER 42 7.500 4.644 -2.174 319 2HB SER 42 2HB SER 42 9.019 4.102 -1.463 320 HG SER 42 HG SER 42 8.497 2.328 -3.276 321 H SER 43 H SER 43 5.905 4.742 -1.042 322 HA SER 43 HA SER 43 5.114 4.395 1.712 323 1HB SER 43 1HB SER 43 6.550 6.921 0.844 324 2HB SER 43 2HB SER 43 5.897 6.579 2.445 325 HG SER 43 HG SER 43 7.437 4.606 2.126 326 H ASP 44 H ASP 44 3.879 6.866 2.096 327 HA ASP 44 HA ASP 44 2.166 7.128 -0.293 328 1HB ASP 44 1HB ASP 44 1.184 5.721 1.631 329 2HB ASP 44 2HB ASP 44 1.060 7.243 2.508 330 HA PRO 45 HA PRO 45 3.579 11.201 1.210 331 1HB PRO 45 1HB PRO 45 4.762 12.048 -1.055 332 2HB PRO 45 2HB PRO 45 5.540 10.927 0.064 333 1HG PRO 45 1HG PRO 45 4.404 10.422 -2.605 334 2HG PRO 45 2HG PRO 45 5.629 9.509 -1.713 335 1HD PRO 45 1HD PRO 45 2.828 8.933 -1.975 336 2HD PRO 45 2HD PRO 45 4.055 8.015 -1.081 337 H LYS 46 H LYS 46 2.245 12.858 1.318 338 HA LYS 46 HA LYS 46 1.054 13.913 -1.142 339 1HB LYS 46 1HB LYS 46 -0.569 12.604 0.348 340 2HB LYS 46 2HB LYS 46 -0.369 13.900 1.512 341 1HG LYS 46 1HG LYS 46 -1.277 14.422 -1.300 342 2HG LYS 46 2HG LYS 46 -2.395 13.990 -0.008 343 1HD LYS 46 1HD LYS 46 -1.731 15.939 1.266 344 2HD LYS 46 2HD LYS 46 -0.507 16.343 0.060 345 1HE LYS 46 1HE LYS 46 -3.478 16.235 -0.444 346 2HE LYS 46 2HE LYS 46 -2.560 17.707 -0.143 347 1HZ LYS 46 1HZ LYS 46 -2.156 15.850 -2.430 348 2HZ LYS 46 2HZ LYS 46 -1.257 17.257 -2.136 349 3HZ LYS 46 3HZ LYS 46 -2.910 17.366 -2.499 350 H ARG 47 H ARG 47 1.423 14.591 2.314 351 HA ARG 47 HA ARG 47 2.429 17.276 1.636 352 1HB ARG 47 1HB ARG 47 0.339 17.264 2.964 353 2HB ARG 47 2HB ARG 47 1.144 16.311 4.202 354 1HG ARG 47 1HG ARG 47 0.968 18.695 4.785 355 2HG ARG 47 2HG ARG 47 2.640 18.137 4.697 356 1HD ARG 47 1HD ARG 47 2.942 19.146 2.562 357 2HD ARG 47 2HD ARG 47 1.223 19.503 2.422 358 HE ARG 47 HE ARG 47 2.409 20.745 4.709 359 1HH1 ARG 47 1HH1 ARG 47 2.158 21.000 1.234 360 2HH1 ARG 47 2HH1 ARG 47 2.163 22.739 1.229 361 1HH2 ARG 47 1HH2 ARG 47 2.449 23.033 4.713 362 2HH2 ARG 47 2HH2 ARG 47 2.334 23.894 3.206 363 H THR 48 H THR 48 2.950 14.311 3.310 364 HA THR 48 HA THR 48 5.329 15.211 4.684 365 HB THR 48 HB THR 48 4.491 12.338 4.411 366 HG1 THR 48 HG1 THR 48 3.357 13.970 6.425 367 1HG2 THR 48 1HG2 THR 48 6.540 12.827 5.650 368 2HG2 THR 48 2HG2 THR 48 5.291 12.239 6.748 369 3HG2 THR 48 3HG2 THR 48 5.665 13.962 6.679 370 HA PRO 49 HA PRO 49 7.978 13.998 1.253 371 1HB PRO 49 1HB PRO 49 10.347 14.181 2.541 372 2HB PRO 49 2HB PRO 49 9.446 15.605 2.014 373 1HG PRO 49 1HG PRO 49 9.596 14.362 4.735 374 2HG PRO 49 2HG PRO 49 9.652 16.075 4.280 375 1HD PRO 49 1HD PRO 49 7.407 14.869 5.221 376 2HD PRO 49 2HD PRO 49 7.370 16.229 4.082 377 H GLU 50 H GLU 50 7.215 12.348 3.992 378 HA GLU 50 HA GLU 50 7.218 10.197 4.592 379 1HB GLU 50 1HB GLU 50 8.655 9.731 1.980 380 2HB GLU 50 2HB GLU 50 8.052 8.462 3.040 381 1HG GLU 50 1HG GLU 50 6.459 10.509 1.530 382 2HG GLU 50 2HG GLU 50 6.445 8.756 1.331 383 H VAL 51 H VAL 51 8.290 9.808 6.304 384 HA VAL 51 HA VAL 51 11.242 9.786 6.233 385 HB VAL 51 HB VAL 51 9.569 10.355 8.674 386 1HG1 VAL 51 1HG1 VAL 51 12.497 10.772 8.099 387 2HG1 VAL 51 2HG1 VAL 51 11.804 9.506 9.112 388 3HG1 VAL 51 3HG1 VAL 51 11.673 11.196 9.599 389 1HG2 VAL 51 1HG2 VAL 51 9.163 12.135 7.061 390 2HG2 VAL 51 2HG2 VAL 51 10.898 12.348 6.833 391 3HG2 VAL 51 3HG2 VAL 51 10.162 12.729 8.389 392 H SER 52 H SER 52 8.820 8.759 8.606 393 HA SER 52 HA SER 52 9.781 6.026 8.304 394 1HB SER 52 1HB SER 52 10.740 7.004 10.346 395 2HB SER 52 2HB SER 52 9.119 7.382 10.916 396 HG SER 52 HG SER 52 8.704 5.068 10.764 397 H ASP 53 H ASP 53 7.239 7.971 9.765 398 HA ASP 53 HA ASP 53 5.158 7.482 10.491 399 1HB ASP 53 1HB ASP 53 4.872 7.794 7.986 400 2HB ASP 53 2HB ASP 53 4.817 6.039 7.870 401 H ASN 54 H ASN 54 6.053 6.060 12.112 402 HA ASN 54 HA ASN 54 6.076 3.251 11.803 403 1HB ASN 54 1HB ASN 54 7.027 4.689 13.751 404 2HB ASN 54 2HB ASN 54 5.387 4.652 14.389 405 1HD2 ASN 54 1HD2 ASN 54 5.859 3.462 16.188 406 2HD2 ASN 54 2HD2 ASN 54 6.373 1.799 16.129 407 HA PRO 55 HA PRO 55 2.198 2.697 10.022 408 1HB PRO 55 1HB PRO 55 1.795 0.827 12.328 409 2HB PRO 55 2HB PRO 55 1.376 0.607 10.622 410 1HG PRO 55 1HG PRO 55 3.728 -0.285 11.812 411 2HG PRO 55 2HG PRO 55 3.491 -0.047 10.073 412 1HD PRO 55 1HD PRO 55 5.274 1.379 11.759 413 2HD PRO 55 2HD PRO 55 4.849 1.783 10.082 414 H VAL 56 H VAL 56 1.665 4.904 10.655 415 HA VAL 56 HA VAL 56 0.130 5.304 13.058 416 HB VAL 56 HB VAL 56 0.465 7.158 10.687 417 1HG1 VAL 56 1HG1 VAL 56 -0.224 8.920 12.243 418 2HG1 VAL 56 2HG1 VAL 56 -0.484 7.711 13.499 419 3HG1 VAL 56 3HG1 VAL 56 -1.486 7.703 12.048 420 1HG2 VAL 56 1HG2 VAL 56 1.984 7.036 13.291 421 2HG2 VAL 56 2HG2 VAL 56 2.153 8.291 12.063 422 3HG2 VAL 56 3HG2 VAL 56 2.613 6.627 11.695 423 H MET 57 H MET 57 -0.774 6.035 9.682 424 HA MET 57 HA MET 57 -3.530 5.970 10.191 425 1HB MET 57 1HB MET 57 -3.863 6.035 7.812 426 2HB MET 57 2HB MET 57 -2.501 7.065 8.214 427 1HG MET 57 1HG MET 57 -0.949 5.544 7.328 428 2HG MET 57 2HG MET 57 -2.133 4.241 7.276 429 1HE MET 57 1HE MET 57 -1.618 3.589 4.796 430 2HE MET 57 2HE MET 57 -0.314 4.772 4.803 431 3HE MET 57 3HE MET 57 -1.477 4.753 3.477 432 H ILE 58 H ILE 58 -1.292 3.459 9.258 433 HA ILE 58 HA ILE 58 -3.140 1.534 8.375 434 HB ILE 58 HB ILE 58 -0.404 1.149 9.611 435 1HG1 ILE 58 1HG1 ILE 58 -0.369 2.515 7.580 436 2HG1 ILE 58 2HG1 ILE 58 0.364 0.942 7.286 437 1HG2 ILE 58 1HG2 ILE 58 -0.410 -1.048 8.493 438 2HG2 ILE 58 2HG2 ILE 58 -2.098 -0.793 8.044 439 3HG2 ILE 58 3HG2 ILE 58 -1.645 -0.922 9.743 440 1HD1 ILE 58 1HD1 ILE 58 -1.023 1.624 5.421 441 2HD1 ILE 58 2HD1 ILE 58 -2.415 1.778 6.491 442 3HD1 ILE 58 3HD1 ILE 58 -1.695 0.194 6.206 443 H GLY 59 H GLY 59 -1.933 2.343 11.589 444 1HA GLY 59 1HA GLY 59 -2.755 -0.024 12.892 445 2HA GLY 59 2HA GLY 59 -2.423 1.514 13.671 446 H GLU 60 H GLU 60 -4.331 3.139 12.577 447 HA GLU 60 HA GLU 60 -6.635 2.290 14.065 448 1HB GLU 60 1HB GLU 60 -6.233 4.760 12.376 449 2HB GLU 60 2HB GLU 60 -7.474 4.516 13.592 450 1HG GLU 60 1HG GLU 60 -4.518 4.583 14.142 451 2HG GLU 60 2HG GLU 60 -5.621 5.939 14.362 452 H LEU 61 H LEU 61 -5.769 2.638 10.684 453 HA LEU 61 HA LEU 61 -8.386 2.710 9.627 454 1HB LEU 61 1HB LEU 61 -6.261 3.450 8.503 455 2HB LEU 61 2HB LEU 61 -5.893 1.760 8.236 456 HG LEU 61 HG LEU 61 -7.908 1.532 6.847 457 1HD1 LEU 61 1HD1 LEU 61 -9.154 3.531 6.172 458 2HD1 LEU 61 2HD1 LEU 61 -8.215 4.495 7.315 459 3HD1 LEU 61 3HD1 LEU 61 -9.293 3.230 7.905 460 1HD2 LEU 61 1HD2 LEU 61 -6.078 3.797 6.058 461 2HD2 LEU 61 2HD2 LEU 61 -7.120 2.895 4.958 462 3HD2 LEU 61 3HD2 LEU 61 -5.791 2.078 5.784 463 H LEU 62 H LEU 62 -6.021 0.053 9.745 464 HA LEU 62 HA LEU 62 -7.609 -1.811 8.388 465 1HB LEU 62 1HB LEU 62 -5.203 -2.003 10.135 466 2HB LEU 62 2HB LEU 62 -6.056 -3.475 9.714 467 HG LEU 62 HG LEU 62 -5.695 -3.025 7.330 468 1HD1 LEU 62 1HD1 LEU 62 -4.219 -1.226 6.606 469 2HD1 LEU 62 2HD1 LEU 62 -4.138 -0.616 8.260 470 3HD1 LEU 62 3HD1 LEU 62 -5.671 -0.591 7.384 471 1HD2 LEU 62 1HD2 LEU 62 -4.055 -4.333 8.585 472 2HD2 LEU 62 2HD2 LEU 62 -3.154 -2.859 8.945 473 3HD2 LEU 62 3HD2 LEU 62 -3.299 -3.422 7.278 474 H ARG 63 H ARG 63 -7.671 -0.832 11.712 475 HA ARG 63 HA ARG 63 -8.819 -3.239 12.728 476 1HB ARG 63 1HB ARG 63 -8.759 -0.473 13.942 477 2HB ARG 63 2HB ARG 63 -9.250 -1.938 14.783 478 1HG ARG 63 1HG ARG 63 -6.522 -1.241 13.738 479 2HG ARG 63 2HG ARG 63 -7.013 -1.478 15.414 480 1HD ARG 63 1HD ARG 63 -7.438 -3.839 14.967 481 2HD ARG 63 2HD ARG 63 -6.983 -3.608 13.280 482 HE ARG 63 HE ARG 63 -5.152 -3.416 15.584 483 1HH1 ARG 63 1HH1 ARG 63 -5.704 -3.932 12.155 484 2HH1 ARG 63 2HH1 ARG 63 -4.052 -4.346 11.823 485 1HH2 ARG 63 1HH2 ARG 63 -2.960 -3.957 15.121 486 2HH2 ARG 63 2HH2 ARG 63 -2.508 -4.367 13.490 487 H GLU 64 H GLU 64 -10.132 -0.767 10.846 488 HA GLU 64 HA GLU 64 -12.790 -0.676 11.731 489 1HB GLU 64 1HB GLU 64 -11.514 -0.399 9.028 490 2HB GLU 64 2HB GLU 64 -13.266 -0.417 9.177 491 1HG GLU 64 1HG GLU 64 -11.425 1.511 10.580 492 2HG GLU 64 2HG GLU 64 -12.340 1.854 9.111 493 H PHE 65 H PHE 65 -11.104 -2.992 9.682 494 HA PHE 65 HA PHE 65 -13.274 -4.906 10.202 495 1HB PHE 65 1HB PHE 65 -11.762 -4.579 7.598 496 2HB PHE 65 2HB PHE 65 -12.850 -5.911 7.963 497 HD1 PHE 65 HD1 PHE 65 -15.274 -5.483 8.248 498 HD2 PHE 65 HD2 PHE 65 -12.591 -2.456 6.925 499 HE1 PHE 65 HE1 PHE 65 -17.178 -4.165 7.411 500 HE2 PHE 65 HE2 PHE 65 -14.490 -1.137 6.085 501 HZ PHE 65 HZ PHE 65 -16.787 -1.990 6.330 502 HA PRO 66 HA PRO 66 -9.262 -6.496 11.686 503 1HB PRO 66 1HB PRO 66 -10.089 -7.355 14.083 504 2HB PRO 66 2HB PRO 66 -9.803 -5.642 13.758 505 1HG PRO 66 1HG PRO 66 -12.380 -7.138 13.911 506 2HG PRO 66 2HG PRO 66 -11.993 -5.501 14.472 507 1HD PRO 66 1HD PRO 66 -13.290 -6.123 12.092 508 2HD PRO 66 2HD PRO 66 -12.473 -4.587 12.442 509 H ASP 67 H ASP 67 -12.291 -8.064 11.140 510 HA ASP 67 HA ASP 67 -11.343 -10.706 11.745 511 1HB ASP 67 1HB ASP 67 -13.734 -10.183 11.897 512 2HB ASP 67 2HB ASP 67 -13.770 -9.840 10.170 513 H TYR 68 H TYR 68 -11.320 -8.608 9.045 514 HA TYR 68 HA TYR 68 -10.510 -10.654 7.179 515 1HB TYR 68 1HB TYR 68 -10.699 -7.644 6.950 516 2HB TYR 68 2HB TYR 68 -10.113 -8.680 5.657 517 HD1 TYR 68 HD1 TYR 68 -12.911 -7.011 6.878 518 HD2 TYR 68 HD2 TYR 68 -11.781 -10.702 5.088 519 HE1 TYR 68 HE1 TYR 68 -15.219 -7.328 6.093 520 HE2 TYR 68 HE2 TYR 68 -14.087 -11.031 4.294 521 HH TYR 68 HH TYR 68 -16.374 -8.589 4.213 522 H THR 69 H THR 69 -8.546 -11.463 7.414 523 HA THR 69 HA THR 69 -6.452 -10.164 8.789 524 HB THR 69 HB THR 69 -5.027 -12.012 7.750 525 HG1 THR 69 HG1 THR 69 -6.521 -12.371 5.975 526 1HG2 THR 69 1HG2 THR 69 -7.468 -12.763 9.363 527 2HG2 THR 69 2HG2 THR 69 -5.943 -12.159 10.009 528 3HG2 THR 69 3HG2 THR 69 -6.002 -13.732 9.212 529 H TRP 70 H TRP 70 -5.654 -8.339 8.016 530 HA TRP 70 HA TRP 70 -5.213 -7.955 5.182 531 1HB TRP 70 1HB TRP 70 -4.689 -6.122 7.534 532 2HB TRP 70 2HB TRP 70 -4.446 -5.680 5.849 533 HD1 TRP 70 HD1 TRP 70 -7.119 -5.975 8.495 534 HE1 TRP 70 HE1 TRP 70 -9.364 -5.164 7.541 535 HE3 TRP 70 HE3 TRP 70 -5.801 -5.578 3.569 536 HZ2 TRP 70 HZ2 TRP 70 -10.431 -4.437 5.018 537 HZ3 TRP 70 HZ3 TRP 70 -7.482 -4.811 1.952 538 HH2 TRP 70 HH2 TRP 70 -9.752 -4.254 2.664 539 H GLN 71 H GLN 71 -3.579 -9.296 4.589 540 HA GLN 71 HA GLN 71 -1.082 -9.245 6.061 541 1HB GLN 71 1HB GLN 71 -2.147 -10.859 3.775 542 2HB GLN 71 2HB GLN 71 -0.413 -10.815 4.077 543 1HG GLN 71 1HG GLN 71 -0.627 -11.822 6.168 544 2HG GLN 71 2HG GLN 71 -2.347 -11.458 6.267 545 1HE2 GLN 71 1HE2 GLN 71 0.060 -13.530 4.815 546 2HE2 GLN 71 2HE2 GLN 71 -1.028 -14.788 4.354 547 H VAL 72 H VAL 72 0.134 -7.535 5.798 548 HA VAL 72 HA VAL 72 0.012 -5.996 3.332 549 HB VAL 72 HB VAL 72 1.510 -5.401 5.894 550 1HG1 VAL 72 1HG1 VAL 72 0.822 -3.652 3.534 551 2HG1 VAL 72 2HG1 VAL 72 2.430 -4.189 4.022 552 3HG1 VAL 72 3HG1 VAL 72 1.521 -3.078 5.048 553 1HG2 VAL 72 1HG2 VAL 72 -0.895 -5.554 6.307 554 2HG2 VAL 72 2HG2 VAL 72 -1.201 -4.419 4.995 555 3HG2 VAL 72 3HG2 VAL 72 -0.336 -3.886 6.435 556 H ALA 73 H ALA 73 1.470 -6.133 1.793 557 HA ALA 73 HA ALA 73 4.136 -7.200 2.461 558 1HB ALA 73 1HB ALA 73 2.859 -8.802 1.107 559 2HB ALA 73 2HB ALA 73 4.234 -8.150 0.210 560 3HB ALA 73 3HB ALA 73 2.606 -7.558 -0.120 561 H ILE 74 H ILE 74 5.882 -6.097 1.651 562 HA ILE 74 HA ILE 74 5.281 -3.688 0.073 563 HB ILE 74 HB ILE 74 7.187 -2.568 1.290 564 1HG1 ILE 74 1HG1 ILE 74 6.779 -4.890 3.191 565 2HG1 ILE 74 2HG1 ILE 74 8.229 -4.569 2.248 566 1HG2 ILE 74 1HG2 ILE 74 5.811 -1.909 3.184 567 2HG2 ILE 74 2HG2 ILE 74 4.783 -3.321 2.945 568 3HG2 ILE 74 3HG2 ILE 74 4.832 -2.052 1.723 569 1HD1 ILE 74 1HD1 ILE 74 8.536 -3.896 4.549 570 2HD1 ILE 74 2HD1 ILE 74 7.125 -2.844 4.448 571 3HD1 ILE 74 3HD1 ILE 74 8.560 -2.486 3.491 572 H ALA 75 H ALA 75 6.712 -3.148 -1.530 573 HA ALA 75 HA ALA 75 8.655 -5.263 -2.189 574 1HB ALA 75 1HB ALA 75 6.789 -4.956 -3.769 575 2HB ALA 75 2HB ALA 75 8.357 -4.633 -4.508 576 3HB ALA 75 3HB ALA 75 7.311 -3.292 -4.037 577 H ASP 76 H ASP 76 10.668 -4.624 -3.219 578 HA ASP 76 HA ASP 76 11.684 -2.154 -2.090 579 1HB ASP 76 1HB ASP 76 13.897 -2.910 -2.830 580 2HB ASP 76 2HB ASP 76 13.087 -4.137 -1.869 581 H LEU 77 H LEU 77 13.582 -1.345 -3.802 582 HA LEU 77 HA LEU 77 12.126 0.411 -5.409 583 1HB LEU 77 1HB LEU 77 14.410 0.758 -4.415 584 2HB LEU 77 2HB LEU 77 15.055 -0.276 -5.672 585 HG LEU 77 HG LEU 77 13.491 2.152 -6.459 586 1HD1 LEU 77 1HD1 LEU 77 16.385 2.133 -5.620 587 2HD1 LEU 77 2HD1 LEU 77 15.066 2.950 -4.781 588 3HD1 LEU 77 3HD1 LEU 77 15.545 3.475 -6.395 589 1HD2 LEU 77 1HD2 LEU 77 15.844 0.676 -7.647 590 2HD2 LEU 77 2HD2 LEU 77 15.080 2.105 -8.348 591 3HD2 LEU 77 3HD2 LEU 77 14.171 0.598 -8.200 592 H GLU 78 H GLU 78 13.881 -2.555 -6.253 593 HA GLU 78 HA GLU 78 13.557 -2.162 -9.077 594 1HB GLU 78 1HB GLU 78 14.277 -4.686 -7.593 595 2HB GLU 78 2HB GLU 78 14.537 -4.364 -9.298 596 1HG GLU 78 1HG GLU 78 16.111 -2.577 -8.700 597 2HG GLU 78 2HG GLU 78 15.875 -2.966 -6.997 598 H GLN 79 H GLN 79 11.902 -3.931 -6.561 599 HA GLN 79 HA GLN 79 10.335 -5.525 -8.336 600 1HB GLN 79 1HB GLN 79 9.935 -4.937 -5.401 601 2HB GLN 79 2HB GLN 79 9.119 -6.200 -6.314 602 1HG GLN 79 1HG GLN 79 12.072 -6.018 -5.761 603 2HG GLN 79 2HG GLN 79 10.926 -7.135 -5.022 604 1HE2 GLN 79 1HE2 GLN 79 13.358 -7.582 -6.646 605 2HE2 GLN 79 2HE2 GLN 79 12.841 -8.606 -7.942 606 H SER 80 H SER 80 9.687 -2.586 -6.451 607 HA SER 80 HA SER 80 6.941 -2.433 -6.972 608 1HB SER 80 1HB SER 80 7.275 0.052 -6.502 609 2HB SER 80 2HB SER 80 7.811 -1.062 -5.243 610 HG SER 80 HG SER 80 9.867 -0.635 -5.692 611 H GLU 81 H GLU 81 9.694 -1.095 -8.728 612 HA GLU 81 HA GLU 81 8.354 0.324 -10.705 613 1HB GLU 81 1HB GLU 81 10.975 -1.176 -10.806 614 2HB GLU 81 2HB GLU 81 10.433 -0.057 -12.046 615 1HG GLU 81 1HG GLU 81 10.572 0.878 -9.227 616 2HG GLU 81 2HG GLU 81 12.061 0.705 -10.151 617 H ALA 82 H ALA 82 9.220 -3.089 -10.546 618 HA ALA 82 HA ALA 82 8.378 -3.661 -13.221 619 1HB ALA 82 1HB ALA 82 10.104 -4.994 -12.109 620 2HB ALA 82 2HB ALA 82 8.749 -5.998 -12.628 621 3HB ALA 82 3HB ALA 82 8.916 -5.552 -10.928 622 H ILE 83 H ILE 83 6.947 -3.996 -10.017 623 HA ILE 83 HA ILE 83 4.681 -5.493 -10.823 624 HB ILE 83 HB ILE 83 5.054 -3.700 -8.415 625 1HG1 ILE 83 1HG1 ILE 83 5.202 -6.710 -8.714 626 2HG1 ILE 83 2HG1 ILE 83 6.582 -5.636 -8.538 627 1HG2 ILE 83 1HG2 ILE 83 2.677 -3.993 -8.948 628 2HG2 ILE 83 2HG2 ILE 83 3.115 -4.816 -7.452 629 3HG2 ILE 83 3HG2 ILE 83 2.893 -5.743 -8.936 630 1HD1 ILE 83 1HD1 ILE 83 5.837 -5.012 -6.315 631 2HD1 ILE 83 2HD1 ILE 83 6.030 -6.763 -6.450 632 3HD1 ILE 83 3HD1 ILE 83 4.419 -6.048 -6.493 633 H GLY 84 H GLY 84 5.164 -2.015 -10.248 634 1HA GLY 84 1HA GLY 84 2.540 -1.219 -10.906 635 2HA GLY 84 2HA GLY 84 3.966 -0.193 -10.975 636 H ASP 85 H ASP 85 5.476 -1.377 -12.872 637 HA ASP 85 HA ASP 85 4.497 -0.358 -15.256 638 1HB ASP 85 1HB ASP 85 6.907 -0.984 -14.659 639 2HB ASP 85 2HB ASP 85 6.478 -2.634 -15.092 640 H ARG 86 H ARG 86 4.630 -3.769 -14.212 641 HA ARG 86 HA ARG 86 3.440 -4.776 -16.553 642 1HB ARG 86 1HB ARG 86 4.213 -5.829 -13.894 643 2HB ARG 86 2HB ARG 86 3.074 -6.768 -14.831 644 1HG ARG 86 1HG ARG 86 4.675 -6.762 -16.716 645 2HG ARG 86 2HG ARG 86 5.827 -5.928 -15.676 646 1HD ARG 86 1HD ARG 86 6.045 -7.785 -14.248 647 2HD ARG 86 2HD ARG 86 4.604 -8.562 -14.910 648 HE ARG 86 HE ARG 86 6.682 -8.133 -16.848 649 1HH1 ARG 86 1HH1 ARG 86 5.668 -10.308 -14.290 650 2HH1 ARG 86 2HH1 ARG 86 6.291 -11.718 -15.095 651 1HH2 ARG 86 1HH2 ARG 86 7.533 -9.976 -17.858 652 2HH2 ARG 86 2HH2 ARG 86 7.368 -11.529 -17.103 653 H PHE 87 H PHE 87 2.098 -3.459 -13.637 654 HA PHE 87 HA PHE 87 -0.435 -4.826 -13.968 655 1HB PHE 87 1HB PHE 87 0.694 -4.053 -11.743 656 2HB PHE 87 2HB PHE 87 -0.012 -2.486 -12.129 657 HD1 PHE 87 HD1 PHE 87 -0.641 -5.874 -11.003 658 HD2 PHE 87 HD2 PHE 87 -2.461 -2.217 -12.201 659 HE1 PHE 87 HE1 PHE 87 -2.766 -6.612 -10.010 660 HE2 PHE 87 HE2 PHE 87 -4.588 -2.948 -11.204 661 HZ PHE 87 HZ PHE 87 -4.743 -5.147 -10.107 662 H GLY 88 H GLY 88 1.029 -1.827 -14.869 663 1HA GLY 88 1HA GLY 88 0.140 -0.521 -16.669 664 2HA GLY 88 2HA GLY 88 -1.474 -1.039 -16.203 665 H VAL 89 H VAL 89 0.069 -0.394 -13.407 666 HA VAL 89 HA VAL 89 -1.238 2.180 -13.116 667 HB VAL 89 HB VAL 89 0.363 0.595 -11.091 668 1HG1 VAL 89 1HG1 VAL 89 -1.538 2.904 -10.718 669 2HG1 VAL 89 2HG1 VAL 89 0.213 2.959 -10.524 670 3HG1 VAL 89 3HG1 VAL 89 -0.766 1.989 -9.425 671 1HG2 VAL 89 1HG2 VAL 89 -2.615 0.725 -11.540 672 2HG2 VAL 89 2HG2 VAL 89 -1.818 -0.096 -10.198 673 3HG2 VAL 89 3HG2 VAL 89 -1.572 -0.662 -11.850 674 H PHE 90 H PHE 90 1.906 0.858 -13.581 675 HA PHE 90 HA PHE 90 3.947 1.734 -13.934 676 1HB PHE 90 1HB PHE 90 2.326 4.248 -14.305 677 2HB PHE 90 2HB PHE 90 4.076 4.217 -14.486 678 HD1 PHE 90 HD1 PHE 90 0.924 3.557 -16.051 679 HD2 PHE 90 HD2 PHE 90 5.080 2.673 -16.213 680 HE1 PHE 90 HE1 PHE 90 0.668 2.795 -18.379 681 HE2 PHE 90 HE2 PHE 90 4.835 1.920 -18.542 682 HZ PHE 90 HZ PHE 90 2.622 1.979 -19.628 683 H ARG 91 H ARG 91 4.397 4.676 -13.007 684 HA ARG 91 HA ARG 91 5.480 3.735 -10.480 685 1HB ARG 91 1HB ARG 91 6.076 6.369 -11.803 686 2HB ARG 91 2HB ARG 91 7.062 5.476 -10.649 687 1HG ARG 91 1HG ARG 91 7.348 3.701 -12.356 688 2HG ARG 91 2HG ARG 91 6.498 4.732 -13.507 689 1HD ARG 91 1HD ARG 91 8.262 6.502 -12.897 690 2HD ARG 91 2HD ARG 91 9.168 5.153 -12.211 691 HE ARG 91 HE ARG 91 8.801 5.767 -14.986 692 1HH1 ARG 91 1HH1 ARG 91 9.367 3.139 -12.720 693 2HH1 ARG 91 2HH1 ARG 91 10.093 2.114 -13.918 694 1HH2 ARG 91 1HH2 ARG 91 9.811 4.438 -16.529 695 2HH2 ARG 91 2HH2 ARG 91 10.370 2.855 -16.070 696 H PHE 92 H PHE 92 5.899 6.364 -9.431 697 HA PHE 92 HA PHE 92 5.008 7.806 -7.938 698 1HB PHE 92 1HB PHE 92 3.359 8.519 -9.581 699 2HB PHE 92 2HB PHE 92 2.353 7.122 -9.221 700 HD1 PHE 92 HD1 PHE 92 0.707 7.248 -7.590 701 HD2 PHE 92 HD2 PHE 92 3.782 10.186 -7.681 702 HE1 PHE 92 HE1 PHE 92 -0.487 8.544 -5.876 703 HE2 PHE 92 HE2 PHE 92 2.597 11.481 -5.956 704 HZ PHE 92 HZ PHE 92 0.457 10.666 -5.056 705 HA PRO 93 HA PRO 93 4.449 4.256 -5.222 706 1HB PRO 93 1HB PRO 93 5.789 5.956 -3.266 707 2HB PRO 93 2HB PRO 93 6.300 4.404 -3.931 708 1HG PRO 93 1HG PRO 93 7.535 6.738 -4.514 709 2HG PRO 93 2HG PRO 93 7.466 5.377 -5.645 710 1HD PRO 93 1HD PRO 93 5.856 7.894 -5.594 711 2HD PRO 93 2HD PRO 93 6.509 7.006 -6.985 712 H ALA 94 H ALA 94 2.740 3.912 -4.043 713 HA ALA 94 HA ALA 94 1.824 5.748 -2.033 714 1HB ALA 94 1HB ALA 94 0.013 5.085 -4.360 715 2HB ALA 94 2HB ALA 94 0.723 6.664 -4.027 716 3HB ALA 94 3HB ALA 94 -0.448 5.972 -2.906 717 H THR 95 H THR 95 -0.495 4.701 -1.273 718 HA THR 95 HA THR 95 0.165 1.917 -0.700 719 HB THR 95 HB THR 95 -2.184 3.491 0.361 720 HG1 THR 95 HG1 THR 95 -0.423 4.665 0.987 721 1HG2 THR 95 1HG2 THR 95 -0.685 1.096 1.428 722 2HG2 THR 95 2HG2 THR 95 -2.300 1.081 0.722 723 3HG2 THR 95 3HG2 THR 95 -2.010 1.918 2.247 724 H LEU 96 H LEU 96 -0.546 0.399 -2.054 725 HA LEU 96 HA LEU 96 -2.955 0.896 -3.630 726 1HB LEU 96 1HB LEU 96 -0.923 -1.328 -3.803 727 2HB LEU 96 2HB LEU 96 -2.270 -1.100 -4.901 728 HG LEU 96 HG LEU 96 0.052 0.805 -4.563 729 1HD1 LEU 96 1HD1 LEU 96 0.712 -1.269 -5.652 730 2HD1 LEU 96 2HD1 LEU 96 0.693 0.068 -6.803 731 3HD1 LEU 96 3HD1 LEU 96 -0.623 -1.109 -6.793 732 1HD2 LEU 96 1HD2 LEU 96 -2.268 0.840 -6.492 733 2HD2 LEU 96 2HD2 LEU 96 -0.885 1.932 -6.524 734 3HD2 LEU 96 3HD2 LEU 96 -2.001 1.967 -5.161 735 H VAL 97 H VAL 97 -4.835 0.153 -2.921 736 HA VAL 97 HA VAL 97 -4.842 -2.050 -0.991 737 HB VAL 97 HB VAL 97 -6.054 -0.069 -0.265 738 1HG1 VAL 97 1HG1 VAL 97 -6.637 0.859 -2.444 739 2HG1 VAL 97 2HG1 VAL 97 -8.056 0.724 -1.403 740 3HG1 VAL 97 3HG1 VAL 97 -7.795 -0.449 -2.697 741 1HG2 VAL 97 1HG2 VAL 97 -7.919 -2.335 -0.963 742 2HG2 VAL 97 2HG2 VAL 97 -8.224 -1.092 0.250 743 3HG2 VAL 97 3HG2 VAL 97 -6.892 -2.229 0.468 744 H PHE 98 H PHE 98 -5.626 -4.001 -1.470 745 HA PHE 98 HA PHE 98 -6.865 -4.341 -4.116 746 1HB PHE 98 1HB PHE 98 -5.050 -6.246 -2.616 747 2HB PHE 98 2HB PHE 98 -5.841 -6.594 -4.151 748 HD1 PHE 98 HD1 PHE 98 -5.236 -5.233 -6.163 749 HD2 PHE 98 HD2 PHE 98 -3.023 -5.062 -2.534 750 HE1 PHE 98 HE1 PHE 98 -3.334 -4.252 -7.374 751 HE2 PHE 98 HE2 PHE 98 -1.116 -4.076 -3.739 752 HZ PHE 98 HZ PHE 98 -1.269 -3.671 -6.165 753 H THR 99 H THR 99 -8.587 -5.733 -4.286 754 HA THR 99 HA THR 99 -9.417 -7.341 -2.030 755 HB THR 99 HB THR 99 -11.510 -5.515 -3.148 756 HG1 THR 99 HG1 THR 99 -9.517 -4.895 -1.259 757 1HG2 THR 99 1HG2 THR 99 -12.221 -7.446 -1.841 758 2HG2 THR 99 2HG2 THR 99 -12.584 -5.949 -0.985 759 3HG2 THR 99 3HG2 THR 99 -11.199 -6.928 -0.502 760 H GLY 100 H GLY 100 -10.820 -8.982 -2.653 761 1HA GLY 100 1HA GLY 100 -11.627 -10.580 -4.094 762 2HA GLY 100 2HA GLY 100 -11.975 -9.267 -5.209 763 H GLY 101 H GLY 101 -8.735 -9.653 -4.096 764 1HA GLY 101 1HA GLY 101 -6.814 -10.360 -5.145 765 2HA GLY 101 2HA GLY 101 -7.813 -11.337 -6.209 766 H ASN 102 H ASN 102 -8.603 -8.003 -6.088 767 HA ASN 102 HA ASN 102 -7.108 -7.525 -8.573 768 1HB ASN 102 1HB ASN 102 -10.038 -7.073 -8.079 769 2HB ASN 102 2HB ASN 102 -9.170 -6.235 -9.354 770 1HD2 ASN 102 1HD2 ASN 102 -10.343 -9.281 -8.221 771 2HD2 ASN 102 2HD2 ASN 102 -10.203 -10.126 -9.723 772 H TYR 103 H TYR 103 -7.347 -5.178 -9.227 773 HA TYR 103 HA TYR 103 -6.324 -3.521 -7.142 774 1HB TYR 103 1HB TYR 103 -5.529 -3.139 -9.361 775 2HB TYR 103 2HB TYR 103 -7.160 -3.001 -9.998 776 HD1 TYR 103 HD1 TYR 103 -8.299 -0.928 -10.013 777 HD2 TYR 103 HD2 TYR 103 -4.584 -1.278 -7.963 778 HE1 TYR 103 HE1 TYR 103 -8.182 1.516 -9.822 779 HE2 TYR 103 HE2 TYR 103 -4.467 1.171 -7.760 780 HH TYR 103 HH TYR 103 -5.394 3.168 -8.973 781 H ARG 104 H ARG 104 -7.556 -2.704 -5.583 782 HA ARG 104 HA ARG 104 -10.386 -2.232 -6.066 783 1HB ARG 104 1HB ARG 104 -9.584 -3.388 -3.998 784 2HB ARG 104 2HB ARG 104 -8.804 -1.887 -3.514 785 1HG ARG 104 1HG ARG 104 -10.821 -1.963 -2.324 786 2HG ARG 104 2HG ARG 104 -11.098 -0.819 -3.635 787 1HD ARG 104 1HD ARG 104 -11.910 -3.721 -3.693 788 2HD ARG 104 2HD ARG 104 -12.984 -2.395 -3.258 789 HE ARG 104 HE ARG 104 -11.789 -1.989 -5.814 790 1HH1 ARG 104 1HH1 ARG 104 -14.357 -3.670 -4.137 791 2HH1 ARG 104 2HH1 ARG 104 -15.320 -3.887 -5.571 792 1HH2 ARG 104 1HH2 ARG 104 -13.051 -2.262 -7.709 793 2HH2 ARG 104 2HH2 ARG 104 -14.586 -3.078 -7.590 794 H GLY 105 H GLY 105 -7.463 -0.446 -5.174 795 1HA GLY 105 1HA GLY 105 -8.082 1.869 -6.558 796 2HA GLY 105 2HA GLY 105 -8.749 2.082 -4.944 797 H VAL 106 H VAL 106 -7.049 3.903 -5.257 798 HA VAL 106 HA VAL 106 -4.557 2.950 -4.033 799 HB VAL 106 HB VAL 106 -4.071 3.476 -6.373 800 1HG1 VAL 106 1HG1 VAL 106 -5.129 6.229 -5.749 801 2HG1 VAL 106 2HG1 VAL 106 -5.876 5.038 -6.813 802 3HG1 VAL 106 3HG1 VAL 106 -4.320 5.753 -7.244 803 1HG2 VAL 106 1HG2 VAL 106 -2.335 3.922 -4.745 804 2HG2 VAL 106 2HG2 VAL 106 -2.983 5.534 -4.453 805 3HG2 VAL 106 3HG2 VAL 106 -2.282 5.137 -6.020 806 H LEU 107 H LEU 107 -3.849 4.114 -2.326 807 HA LEU 107 HA LEU 107 -5.544 6.311 -1.398 808 1HB LEU 107 1HB LEU 107 -3.328 4.806 0.004 809 2HB LEU 107 2HB LEU 107 -4.333 6.040 0.736 810 HG LEU 107 HG LEU 107 -5.284 3.359 -0.274 811 1HD1 LEU 107 1HD1 LEU 107 -4.001 3.155 1.762 812 2HD1 LEU 107 2HD1 LEU 107 -5.714 2.918 2.110 813 3HD1 LEU 107 3HD1 LEU 107 -4.934 4.448 2.513 814 1HD2 LEU 107 1HD2 LEU 107 -6.792 5.572 1.114 815 2HD2 LEU 107 2HD2 LEU 107 -7.427 3.969 0.742 816 3HD2 LEU 107 3HD2 LEU 107 -6.994 5.070 -0.565 817 H ASN 108 H ASN 108 -4.458 8.220 -0.455 818 HA ASN 108 HA ASN 108 -1.776 8.820 -1.047 819 1HB ASN 108 1HB ASN 108 -2.104 10.548 -2.780 820 2HB ASN 108 2HB ASN 108 -2.507 8.939 -3.358 821 1HD2 ASN 108 1HD2 ASN 108 -3.306 11.427 -4.473 822 2HD2 ASN 108 2HD2 ASN 108 -5.029 11.495 -4.416 823 H GLY 109 H GLY 109 -1.645 9.576 0.996 824 1HA GLY 109 1HA GLY 109 -1.543 11.992 1.812 825 2HA GLY 109 2HA GLY 109 -3.289 11.961 1.618 826 H ILE 110 H ILE 110 -0.585 10.851 3.486 827 HA ILE 110 HA ILE 110 -1.874 9.215 5.358 828 HB ILE 110 HB ILE 110 0.493 11.036 5.834 829 1HG1 ILE 110 1HG1 ILE 110 0.829 9.524 3.904 830 2HG1 ILE 110 2HG1 ILE 110 1.899 9.138 5.247 831 1HG2 ILE 110 1HG2 ILE 110 -0.365 8.538 7.289 832 2HG2 ILE 110 2HG2 ILE 110 -0.487 10.187 7.898 833 3HG2 ILE 110 3HG2 ILE 110 1.099 9.470 7.611 834 1HD1 ILE 110 1HD1 ILE 110 -0.632 7.683 4.532 835 2HD1 ILE 110 2HD1 ILE 110 0.446 7.292 5.874 836 3HD1 ILE 110 3HD1 ILE 110 1.015 7.135 4.212 837 H HIS 111 H HIS 111 -1.789 12.670 5.031 838 HA HIS 111 HA HIS 111 -2.057 13.291 7.777 839 1HB HIS 111 1HB HIS 111 -1.137 14.762 5.865 840 2HB HIS 111 2HB HIS 111 -2.818 15.213 5.604 841 HD1 HIS 111 HD1 HIS 111 -3.567 17.199 6.900 842 HD2 HIS 111 HD2 HIS 111 -0.321 15.293 8.680 843 HE1 HIS 111 HE1 HIS 111 -2.949 18.612 8.892 844 HE2 HIS 111 HE2 HIS 111 -1.106 17.342 10.051 845 HA PRO 112 HA PRO 112 -6.652 14.378 7.012 846 1HB PRO 112 1HB PRO 112 -7.456 13.206 4.462 847 2HB PRO 112 2HB PRO 112 -7.646 14.864 5.033 848 1HG PRO 112 1HG PRO 112 -5.928 14.215 3.057 849 2HG PRO 112 2HG PRO 112 -5.602 15.527 4.205 850 1HD PRO 112 1HD PRO 112 -4.540 12.721 4.180 851 2HD PRO 112 2HD PRO 112 -3.682 14.244 4.499 852 H TRP 113 H TRP 113 -7.799 13.103 8.301 853 HA TRP 113 HA TRP 113 -7.395 10.225 8.075 854 1HB TRP 113 1HB TRP 113 -6.854 11.290 10.214 855 2HB TRP 113 2HB TRP 113 -8.505 11.879 10.346 856 HD1 TRP 113 HD1 TRP 113 -9.361 10.581 12.392 857 HE1 TRP 113 HE1 TRP 113 -9.653 8.090 12.983 858 HE3 TRP 113 HE3 TRP 113 -6.841 8.530 8.457 859 HZ2 TRP 113 HZ2 TRP 113 -8.905 5.590 11.905 860 HZ3 TRP 113 HZ3 TRP 113 -6.671 6.086 8.306 861 HH2 TRP 113 HH2 TRP 113 -7.685 4.644 9.991 862 H ALA 114 H ALA 114 -10.052 12.569 8.416 863 HA ALA 114 HA ALA 114 -12.142 10.679 8.403 864 1HB ALA 114 1HB ALA 114 -12.479 12.997 9.097 865 2HB ALA 114 2HB ALA 114 -13.590 12.568 7.796 866 3HB ALA 114 3HB ALA 114 -12.165 13.544 7.450 867 H GLU 115 H GLU 115 -10.564 12.497 5.824 868 HA GLU 115 HA GLU 115 -12.072 11.478 3.676 869 1HB GLU 115 1HB GLU 115 -9.314 12.675 3.871 870 2HB GLU 115 2HB GLU 115 -9.970 12.121 2.339 871 1HG GLU 115 1HG GLU 115 -10.228 14.541 2.692 872 2HG GLU 115 2HG GLU 115 -11.763 13.712 2.465 873 H LEU 116 H LEU 116 -9.010 10.386 5.158 874 HA LEU 116 HA LEU 116 -8.457 8.326 3.357 875 1HB LEU 116 1HB LEU 116 -6.932 9.183 5.141 876 2HB LEU 116 2HB LEU 116 -7.890 8.304 6.317 877 HG LEU 116 HG LEU 116 -7.299 6.188 5.233 878 1HD1 LEU 116 1HD1 LEU 116 -5.590 7.906 3.438 879 2HD1 LEU 116 2HD1 LEU 116 -7.012 6.982 2.950 880 3HD1 LEU 116 3HD1 LEU 116 -5.563 6.146 3.503 881 1HD2 LEU 116 1HD2 LEU 116 -4.930 7.924 5.907 882 2HD2 LEU 116 2HD2 LEU 116 -4.940 6.158 5.876 883 3HD2 LEU 116 3HD2 LEU 116 -5.923 7.026 7.056 884 H ILE 117 H ILE 117 -10.289 8.179 6.430 885 HA ILE 117 HA ILE 117 -10.978 5.469 6.321 886 HB ILE 117 HB ILE 117 -12.658 7.727 7.426 887 1HG1 ILE 117 1HG1 ILE 117 -10.674 5.931 8.837 888 2HG1 ILE 117 2HG1 ILE 117 -10.379 7.615 8.406 889 1HG2 ILE 117 1HG2 ILE 117 -12.728 4.771 8.024 890 2HG2 ILE 117 2HG2 ILE 117 -13.932 5.672 7.101 891 3HG2 ILE 117 3HG2 ILE 117 -13.701 6.011 8.816 892 1HD1 ILE 117 1HD1 ILE 117 -10.969 7.452 10.734 893 2HD1 ILE 117 2HD1 ILE 117 -12.454 6.591 10.331 894 3HD1 ILE 117 3HD1 ILE 117 -12.259 8.276 9.860 895 H ASN 118 H ASN 118 -12.709 8.313 5.114 896 HA ASN 118 HA ASN 118 -15.017 7.150 4.138 897 1HB ASN 118 1HB ASN 118 -14.599 9.576 4.211 898 2HB ASN 118 2HB ASN 118 -13.432 9.421 2.918 899 1HD2 ASN 118 1HD2 ASN 118 -14.100 9.401 0.866 900 2HD2 ASN 118 2HD2 ASN 118 -15.754 9.494 0.365 901 H LEU 119 H LEU 119 -12.055 7.833 2.344 902 HA LEU 119 HA LEU 119 -12.889 6.588 -0.044 903 1HB LEU 119 1HB LEU 119 -10.085 7.113 0.945 904 2HB LEU 119 2HB LEU 119 -10.521 6.717 -0.703 905 HG LEU 119 HG LEU 119 -11.374 9.203 0.774 906 1HD1 LEU 119 1HD1 LEU 119 -9.859 10.374 -0.731 907 2HD1 LEU 119 2HD1 LEU 119 -9.358 8.835 -1.437 908 3HD1 LEU 119 3HD1 LEU 119 -8.989 9.194 0.252 909 1HD2 LEU 119 1HD2 LEU 119 -11.775 8.381 -2.099 910 2HD2 LEU 119 2HD2 LEU 119 -12.200 9.947 -1.403 911 3HD2 LEU 119 3HD2 LEU 119 -13.030 8.488 -0.864 912 H MET 120 H MET 120 -10.899 5.376 2.640 913 HA MET 120 HA MET 120 -10.183 2.927 1.437 914 1HB MET 120 1HB MET 120 -9.278 4.062 3.582 915 2HB MET 120 2HB MET 120 -10.609 3.256 4.397 916 1HG MET 120 1HG MET 120 -8.574 1.796 2.739 917 2HG MET 120 2HG MET 120 -8.391 2.082 4.465 918 1HE MET 120 1HE MET 120 -8.421 -0.781 2.869 919 2HE MET 120 2HE MET 120 -9.239 -1.757 4.091 920 3HE MET 120 3HE MET 120 -8.019 -0.576 4.576 921 H ARG 121 H ARG 121 -12.819 3.672 3.716 922 HA ARG 121 HA ARG 121 -13.955 1.088 3.622 923 1HB ARG 121 1HB ARG 121 -14.529 2.630 5.414 924 2HB ARG 121 2HB ARG 121 -15.249 3.743 4.261 925 1HG ARG 121 1HG ARG 121 -16.958 2.117 3.715 926 2HG ARG 121 2HG ARG 121 -16.222 0.950 4.810 927 1HD ARG 121 1HD ARG 121 -17.196 3.637 5.733 928 2HD ARG 121 2HD ARG 121 -18.247 2.225 5.663 929 HE ARG 121 HE ARG 121 -15.904 2.543 7.419 930 1HH1 ARG 121 1HH1 ARG 121 -18.749 0.754 6.445 931 2HH1 ARG 121 2HH1 ARG 121 -18.912 -0.076 7.965 932 1HH2 ARG 121 1HH2 ARG 121 -16.076 1.425 9.431 933 2HH2 ARG 121 2HH2 ARG 121 -17.404 0.316 9.666 934 H GLY 122 H GLY 122 -14.469 4.011 1.734 935 1HA GLY 122 1HA GLY 122 -16.735 3.175 0.298 936 2HA GLY 122 2HA GLY 122 -15.567 4.368 -0.252 937 H LEU 123 H LEU 123 -13.347 2.459 -0.146 938 HA LEU 123 HA LEU 123 -13.739 1.292 -2.750 939 1HB LEU 123 1HB LEU 123 -11.368 1.277 -0.881 940 2HB LEU 123 2HB LEU 123 -11.365 0.564 -2.481 941 HG LEU 123 HG LEU 123 -11.800 3.492 -1.887 942 1HD1 LEU 123 1HD1 LEU 123 -9.582 3.808 -2.843 943 2HD1 LEU 123 2HD1 LEU 123 -9.406 2.063 -3.033 944 3HD1 LEU 123 3HD1 LEU 123 -9.513 2.768 -1.421 945 1HD2 LEU 123 1HD2 LEU 123 -12.966 2.768 -3.897 946 2HD2 LEU 123 2HD2 LEU 123 -11.485 2.027 -4.505 947 3HD2 LEU 123 3HD2 LEU 123 -11.580 3.781 -4.308 948 H VAL 124 H VAL 124 -12.801 -0.007 0.460 949 HA VAL 124 HA VAL 124 -12.968 -2.702 -0.433 950 HB VAL 124 HB VAL 124 -12.790 -3.351 1.935 951 1HG1 VAL 124 1HG1 VAL 124 -10.787 -2.853 0.657 952 2HG1 VAL 124 2HG1 VAL 124 -10.587 -2.359 2.338 953 3HG1 VAL 124 3HG1 VAL 124 -10.911 -1.150 1.095 954 1HG2 VAL 124 1HG2 VAL 124 -14.142 -1.584 2.937 955 2HG2 VAL 124 2HG2 VAL 124 -12.927 -0.386 2.489 956 3HG2 VAL 124 3HG2 VAL 124 -12.536 -1.640 3.667 957 H GLU 125 H GLU 125 -15.263 -0.575 1.174 958 HA GLU 125 HA GLU 125 -17.295 -2.697 0.968 959 1HB GLU 125 1HB GLU 125 -16.890 -1.968 3.274 960 2HB GLU 125 2HB GLU 125 -17.181 -0.298 2.815 961 1HG GLU 125 1HG GLU 125 -19.492 -0.807 2.304 962 2HG GLU 125 2HG GLU 125 -19.218 -2.508 2.675 963 HA PRO 126 HA PRO 126 -18.734 0.026 -2.339 964 1HB PRO 126 1HB PRO 126 -20.893 -1.993 -2.377 965 2HB PRO 126 2HB PRO 126 -19.881 -1.402 -3.697 966 1HG PRO 126 1HG PRO 126 -19.483 -3.833 -2.682 967 2HG PRO 126 2HG PRO 126 -18.116 -2.800 -3.146 968 1HD PRO 126 1HD PRO 126 -19.227 -3.353 -0.420 969 2HD PRO 126 2HD PRO 126 -17.532 -3.259 -0.946 970 H GLN 127 H GLN 127 -19.349 1.725 -1.083 971 HA GLN 127 HA GLN 127 -21.659 1.643 0.610 972 1HB GLN 127 1HB GLN 127 -19.801 3.815 -0.259 973 2HB GLN 127 2HB GLN 127 -21.179 4.104 0.769 974 1HG GLN 127 1HG GLN 127 -20.256 2.518 2.420 975 2HG GLN 127 2HG GLN 127 -18.835 2.332 1.393 976 1HE2 GLN 127 1HE2 GLN 127 -20.585 4.480 3.510 977 2HE2 GLN 127 2HE2 GLN 127 -19.295 5.613 3.743 978 H GLN 128 H GLN 128 -22.695 0.905 -1.575 979 HA GLN 128 HA GLN 128 -23.773 3.042 -3.160 980 1HB GLN 128 1HB GLN 128 -23.432 0.479 -3.750 981 2HB GLN 128 2HB GLN 128 -25.030 0.329 -3.038 982 1HG GLN 128 1HG GLN 128 -24.244 1.965 -5.435 983 2HG GLN 128 2HG GLN 128 -25.249 0.523 -5.396 984 1HE2 GLN 128 1HE2 GLN 128 -25.110 3.929 -4.925 985 2HE2 GLN 128 2HE2 GLN 128 -26.801 4.186 -4.665 986 H GLU 129 H GLU 129 -24.500 4.288 -1.350 987 HA GLU 129 HA GLU 129 -26.721 3.219 0.187 988 1HB GLU 129 1HB GLU 129 -26.493 5.388 1.442 989 2HB GLU 129 2HB GLU 129 -25.083 4.342 1.493 990 1HG GLU 129 1HG GLU 129 -24.140 5.724 -0.392 991 2HG GLU 129 2HG GLU 129 -25.461 6.855 -0.104 992 H ARG 130 H ARG 130 -28.545 4.806 0.612 993 HA ARG 130 HA ARG 130 -29.795 5.274 -1.916 994 1HB ARG 130 1HB ARG 130 -31.000 4.360 0.034 995 2HB ARG 130 2HB ARG 130 -30.757 5.875 0.884 996 1HG ARG 130 1HG ARG 130 -32.147 7.035 -0.728 997 2HG ARG 130 2HG ARG 130 -32.346 5.543 -1.651 998 1HD ARG 130 1HD ARG 130 -34.275 6.062 -0.177 999 2HD ARG 130 2HD ARG 130 -33.520 4.506 0.170 1000 HE ARG 130 HE ARG 130 -32.273 5.967 1.953 1001 1HH1 ARG 130 1HH1 ARG 130 -35.652 6.102 1.042 1002 2HH1 ARG 130 2HH1 ARG 130 -36.173 6.660 2.602 1003 1HH2 ARG 130 1HH2 ARG 130 -32.959 6.702 3.994 1004 2HH2 ARG 130 2HH2 ARG 130 -34.649 7.003 4.280 1005 H ALA 131 H ALA 131 -27.868 7.127 0.113 1006 HA ALA 131 HA ALA 131 -29.010 9.686 -0.613 1007 1HB ALA 131 1HB ALA 131 -26.442 9.055 0.849 1008 2HB ALA 131 2HB ALA 131 -28.002 9.405 1.600 1009 3HB ALA 131 3HB ALA 131 -27.170 10.653 0.674 1010 H SER 132 H SER 132 -28.857 9.387 -2.913 1011 HA SER 132 HA SER 132 -26.149 9.466 -4.035 1012 1HB SER 132 1HB SER 132 -28.805 9.217 -5.471 1013 2HB SER 132 2HB SER 132 -27.204 8.970 -6.167 1014 HG SER 132 HG SER 132 -27.504 7.425 -3.987 Start of MODEL 16 1 1H MET 1 1H MET 1 18.356 8.740 -5.829 2 HA MET 1 HA MET 1 18.479 7.721 -3.200 3 1HB MET 1 1HB MET 1 17.766 5.376 -3.544 4 2HB MET 1 2HB MET 1 16.432 6.512 -3.650 5 1HG MET 1 1HG MET 1 17.850 5.338 -6.027 6 2HG MET 1 2HG MET 1 16.376 4.680 -5.326 7 1HE MET 1 1HE MET 1 15.241 4.790 -7.714 8 2HE MET 1 2HE MET 1 16.685 5.504 -8.432 9 3HE MET 1 3HE MET 1 15.110 6.258 -8.683 10 H SER 2 H SER 2 20.570 8.532 -4.053 11 HA SER 2 HA SER 2 21.975 6.797 -5.894 12 1HB SER 2 1HB SER 2 23.029 9.137 -4.293 13 2HB SER 2 2HB SER 2 23.797 8.381 -5.692 14 HG SER 2 HG SER 2 22.079 10.373 -5.698 15 H ASN 3 H ASN 3 22.212 7.681 -2.466 16 HA ASN 3 HA ASN 3 24.053 5.419 -2.069 17 1HB ASN 3 1HB ASN 3 23.662 7.975 -0.509 18 2HB ASN 3 2HB ASN 3 24.567 6.608 0.126 19 1HD2 ASN 3 1HD2 ASN 3 26.418 7.867 0.247 20 2HD2 ASN 3 2HD2 ASN 3 27.334 8.277 -1.168 21 H ASP 4 H ASP 4 23.521 3.805 -0.677 22 HA ASP 4 HA ASP 4 20.815 3.612 0.226 23 1HB ASP 4 1HB ASP 4 23.188 1.877 0.902 24 2HB ASP 4 2HB ASP 4 21.516 1.495 1.274 25 H THR 5 H THR 5 20.238 4.989 1.746 26 HA THR 5 HA THR 5 21.299 4.738 4.386 27 HB THR 5 HB THR 5 21.512 7.487 3.135 28 HG1 THR 5 HG1 THR 5 23.297 5.402 3.139 29 1HG2 THR 5 1HG2 THR 5 22.710 8.039 5.205 30 2HG2 THR 5 2HG2 THR 5 22.419 6.405 5.800 31 3HG2 THR 5 3HG2 THR 5 21.063 7.498 5.527 32 HA PRO 6 HA PRO 6 17.291 7.481 4.348 33 1HB PRO 6 1HB PRO 6 16.229 8.030 1.884 34 2HB PRO 6 2HB PRO 6 17.273 9.142 2.775 35 1HG PRO 6 1HG PRO 6 17.964 7.259 0.554 36 2HG PRO 6 2HG PRO 6 18.498 8.931 0.812 37 1HD PRO 6 1HD PRO 6 20.068 6.830 1.409 38 2HD PRO 6 2HD PRO 6 20.078 8.316 2.384 39 H PHE 7 H PHE 7 17.550 5.410 1.445 40 HA PHE 7 HA PHE 7 14.979 4.254 1.725 41 1HB PHE 7 1HB PHE 7 16.148 4.227 -0.411 42 2HB PHE 7 2HB PHE 7 17.438 3.249 0.276 43 HD1 PHE 7 HD1 PHE 7 17.301 0.917 0.290 44 HD2 PHE 7 HD2 PHE 7 13.832 3.221 -0.587 45 HE1 PHE 7 HE1 PHE 7 16.121 -1.128 -0.397 46 HE2 PHE 7 HE2 PHE 7 12.644 1.176 -1.275 47 HZ PHE 7 HZ PHE 7 13.791 -1.003 -1.182 48 H ASP 8 H ASP 8 18.200 3.249 2.750 49 HA ASP 8 HA ASP 8 17.597 0.740 3.812 50 1HB ASP 8 1HB ASP 8 19.882 1.672 3.548 51 2HB ASP 8 2HB ASP 8 19.568 2.770 4.873 52 H ALA 9 H ALA 9 17.815 3.861 5.412 53 HA ALA 9 HA ALA 9 16.884 3.045 7.942 54 1HB ALA 9 1HB ALA 9 16.644 5.772 6.671 55 2HB ALA 9 2HB ALA 9 18.040 5.163 7.560 56 3HB ALA 9 3HB ALA 9 16.506 5.412 8.393 57 H LEU 10 H LEU 10 15.117 4.328 5.157 58 HA LEU 10 HA LEU 10 12.587 4.511 6.344 59 1HB LEU 10 1HB LEU 10 13.706 4.732 3.724 60 2HB LEU 10 2HB LEU 10 12.266 3.737 3.634 61 HG LEU 10 HG LEU 10 11.770 6.090 3.187 62 1HD1 LEU 10 1HD1 LEU 10 10.033 4.715 4.172 63 2HD1 LEU 10 2HD1 LEU 10 9.935 6.362 4.794 64 3HD1 LEU 10 3HD1 LEU 10 10.630 5.084 5.788 65 1HD2 LEU 10 1HD2 LEU 10 12.738 6.555 6.004 66 2HD2 LEU 10 2HD2 LEU 10 11.941 7.752 4.982 67 3HD2 LEU 10 3HD2 LEU 10 13.522 7.114 4.528 68 H TRP 11 H TRP 11 14.069 1.857 4.495 69 HA TRP 11 HA TRP 11 11.808 0.163 4.635 70 1HB TRP 11 1HB TRP 11 14.149 0.115 3.231 71 2HB TRP 11 2HB TRP 11 14.427 -1.165 4.408 72 HD1 TRP 11 HD1 TRP 11 10.822 -0.961 3.586 73 HE1 TRP 11 HE1 TRP 11 10.168 -2.806 1.923 74 HE3 TRP 11 HE3 TRP 11 15.498 -2.493 2.180 75 HZ2 TRP 11 HZ2 TRP 11 11.450 -4.663 0.240 76 HZ3 TRP 11 HZ3 TRP 11 15.689 -4.314 0.535 77 HH2 TRP 11 HH2 TRP 11 13.698 -5.375 -0.416 78 H GLN 12 H GLN 12 14.671 0.515 6.673 79 HA GLN 12 HA GLN 12 14.274 -1.680 8.347 80 1HB GLN 12 1HB GLN 12 15.551 1.014 8.761 81 2HB GLN 12 2HB GLN 12 15.510 -0.185 10.036 82 1HG GLN 12 1HG GLN 12 16.734 -0.598 7.325 83 2HG GLN 12 2HG GLN 12 17.625 -0.174 8.784 84 1HE2 GLN 12 1HE2 GLN 12 16.052 -1.866 10.530 85 2HE2 GLN 12 2HE2 GLN 12 16.513 -3.500 10.175 86 H ARG 13 H ARG 13 12.894 1.547 8.399 87 HA ARG 13 HA ARG 13 11.524 1.254 10.872 88 1HB ARG 13 1HB ARG 13 11.070 3.134 8.549 89 2HB ARG 13 2HB ARG 13 10.203 3.231 10.074 90 1HG ARG 13 1HG ARG 13 12.401 3.516 11.223 91 2HG ARG 13 2HG ARG 13 13.159 3.594 9.634 92 1HD ARG 13 1HD ARG 13 11.780 5.548 9.084 93 2HD ARG 13 2HD ARG 13 11.050 5.475 10.689 94 HE ARG 13 HE ARG 13 13.951 5.863 10.328 95 1HH1 ARG 13 1HH1 ARG 13 10.879 6.854 11.691 96 2HH1 ARG 13 2HH1 ARG 13 11.588 8.072 12.701 97 1HH2 ARG 13 1HH2 ARG 13 14.881 7.451 11.653 98 2HH2 ARG 13 2HH2 ARG 13 13.867 8.411 12.688 99 H MET 14 H MET 14 10.452 1.084 7.502 100 HA MET 14 HA MET 14 7.808 0.343 7.920 101 1HB MET 14 1HB MET 14 9.670 -0.487 5.681 102 2HB MET 14 2HB MET 14 7.917 -0.632 5.645 103 1HG MET 14 1HG MET 14 7.652 1.744 5.727 104 2HG MET 14 2HG MET 14 9.380 1.973 5.981 105 1HE MET 14 1HE MET 14 6.581 0.897 3.490 106 2HE MET 14 2HE MET 14 7.616 -0.533 3.447 107 3HE MET 14 3HE MET 14 7.493 0.515 2.032 108 H LEU 15 H LEU 15 10.720 -1.651 7.782 109 HA LEU 15 HA LEU 15 9.396 -4.158 7.915 110 1HB LEU 15 1HB LEU 15 12.156 -3.173 8.039 111 2HB LEU 15 2HB LEU 15 11.878 -4.630 8.971 112 HG LEU 15 HG LEU 15 12.694 -5.109 6.698 113 1HD1 LEU 15 1HD1 LEU 15 9.857 -6.007 7.185 114 2HD1 LEU 15 2HD1 LEU 15 11.309 -6.745 7.861 115 3HD1 LEU 15 3HD1 LEU 15 11.027 -6.788 6.121 116 1HD2 LEU 15 1HD2 LEU 15 11.695 -3.210 5.535 117 2HD2 LEU 15 2HD2 LEU 15 10.087 -3.885 5.796 118 3HD2 LEU 15 3HD2 LEU 15 11.244 -4.734 4.769 119 H ALA 16 H ALA 16 10.471 -1.875 10.324 120 HA ALA 16 HA ALA 16 10.427 -3.575 12.565 121 1HB ALA 16 1HB ALA 16 10.379 -1.554 13.901 122 2HB ALA 16 2HB ALA 16 9.906 -0.606 12.490 123 3HB ALA 16 3HB ALA 16 11.499 -1.362 12.551 124 H ARG 17 H ARG 17 7.863 -1.971 10.811 125 HA ARG 17 HA ARG 17 5.920 -2.469 12.896 126 1HB ARG 17 1HB ARG 17 5.531 -1.523 10.059 127 2HB ARG 17 2HB ARG 17 4.295 -1.551 11.303 128 1HG ARG 17 1HG ARG 17 6.792 0.115 11.250 129 2HG ARG 17 2HG ARG 17 5.136 0.671 11.043 130 1HD ARG 17 1HD ARG 17 6.479 -0.352 13.526 131 2HD ARG 17 2HD ARG 17 5.701 1.200 13.255 132 HE ARG 17 HE ARG 17 4.112 -1.272 13.269 133 1HH1 ARG 17 1HH1 ARG 17 4.816 1.890 14.620 134 2HH1 ARG 17 2HH1 ARG 17 3.448 1.876 15.682 135 1HH2 ARG 17 1HH2 ARG 17 2.330 -1.302 14.683 136 2HH2 ARG 17 2HH2 ARG 17 2.015 0.069 15.708 137 H GLY 18 H GLY 18 7.420 -4.424 10.719 138 1HA GLY 18 1HA GLY 18 6.987 -6.710 10.487 139 2HA GLY 18 2HA GLY 18 5.357 -6.439 11.080 140 H TRP 19 H TRP 19 6.499 -4.406 8.529 141 HA TRP 19 HA TRP 19 4.570 -5.554 6.718 142 1HB TRP 19 1HB TRP 19 6.532 -3.273 6.353 143 2HB TRP 19 2HB TRP 19 5.336 -3.760 5.157 144 HD1 TRP 19 HD1 TRP 19 3.318 -4.220 7.972 145 HE1 TRP 19 HE1 TRP 19 2.024 -2.111 8.681 146 HE3 TRP 19 HE3 TRP 19 6.041 -0.707 5.445 147 HZ2 TRP 19 HZ2 TRP 19 2.140 0.672 8.229 148 HZ3 TRP 19 HZ3 TRP 19 5.382 1.655 5.640 149 HH2 TRP 19 HH2 TRP 19 3.473 2.328 7.003 150 H THR 20 H THR 20 4.991 -7.152 5.367 151 HA THR 20 HA THR 20 7.636 -8.277 5.340 152 HB THR 20 HB THR 20 5.203 -9.229 3.824 153 HG1 THR 20 HG1 THR 20 5.673 -9.124 6.492 154 1HG2 THR 20 1HG2 THR 20 6.299 -11.424 3.992 155 2HG2 THR 20 2HG2 THR 20 7.673 -10.673 4.804 156 3HG2 THR 20 3HG2 THR 20 7.309 -10.263 3.129 157 HA PRO 21 HA PRO 21 8.657 -6.389 1.399 158 1HB PRO 21 1HB PRO 21 11.275 -6.987 1.456 159 2HB PRO 21 2HB PRO 21 10.594 -5.699 2.451 160 1HG PRO 21 1HG PRO 21 11.432 -8.445 3.222 161 2HG PRO 21 2HG PRO 21 11.540 -6.935 4.142 162 1HD PRO 21 1HD PRO 21 9.582 -8.900 4.455 163 2HD PRO 21 2HD PRO 21 9.476 -7.230 5.043 164 H VAL 22 H VAL 22 8.351 -7.336 -0.529 165 HA VAL 22 HA VAL 22 9.575 -9.903 -1.090 166 HB VAL 22 HB VAL 22 7.477 -10.593 -0.079 167 1HG1 VAL 22 1HG1 VAL 22 6.137 -8.625 -0.424 168 2HG1 VAL 22 2HG1 VAL 22 5.316 -10.022 -1.123 169 3HG1 VAL 22 3HG1 VAL 22 6.154 -8.874 -2.170 170 1HG2 VAL 22 1HG2 VAL 22 8.350 -11.928 -1.923 171 2HG2 VAL 22 2HG2 VAL 22 7.426 -10.961 -3.072 172 3HG2 VAL 22 3HG2 VAL 22 6.587 -11.964 -1.889 173 H SER 23 H SER 23 10.059 -10.173 -3.191 174 HA SER 23 HA SER 23 9.511 -7.920 -4.970 175 1HB SER 23 1HB SER 23 11.275 -10.298 -5.540 176 2HB SER 23 2HB SER 23 11.342 -8.696 -6.270 177 HG SER 23 HG SER 23 11.772 -8.036 -3.928 178 H GLU 24 H GLU 24 7.978 -8.050 -6.498 179 HA GLU 24 HA GLU 24 6.371 -9.091 -7.882 180 1HB GLU 24 1HB GLU 24 8.525 -8.096 -8.936 181 2HB GLU 24 2HB GLU 24 8.931 -9.758 -9.309 182 1HG GLU 24 1HG GLU 24 6.336 -8.497 -10.136 183 2HG GLU 24 2HG GLU 24 7.794 -8.411 -11.119 184 H SER 25 H SER 25 8.485 -11.381 -9.237 185 HA SER 25 HA SER 25 8.677 -13.682 -8.994 186 1HB SER 25 1HB SER 25 10.567 -12.428 -7.970 187 2HB SER 25 2HB SER 25 9.769 -12.570 -6.407 188 HG SER 25 HG SER 25 10.031 -14.963 -7.750 189 H ARG 26 H ARG 26 8.068 -12.748 -5.682 190 HA ARG 26 HA ARG 26 6.409 -15.161 -5.319 191 1HB ARG 26 1HB ARG 26 8.391 -15.303 -3.986 192 2HB ARG 26 2HB ARG 26 8.214 -13.649 -3.422 193 1HG ARG 26 1HG ARG 26 7.614 -15.011 -1.606 194 2HG ARG 26 2HG ARG 26 6.097 -14.405 -2.264 195 1HD ARG 26 1HD ARG 26 5.552 -16.601 -2.004 196 2HD ARG 26 2HD ARG 26 6.203 -16.654 -3.641 197 HE ARG 26 HE ARG 26 8.367 -17.150 -2.058 198 1HH1 ARG 26 1HH1 ARG 26 5.163 -18.579 -2.328 199 2HH1 ARG 26 2HH1 ARG 26 5.710 -20.168 -1.877 200 1HH2 ARG 26 1HH2 ARG 26 9.052 -19.231 -1.391 201 2HH2 ARG 26 2HH2 ARG 26 7.901 -20.529 -1.282 202 H LEU 27 H LEU 27 6.373 -11.762 -5.298 203 HA LEU 27 HA LEU 27 4.352 -11.173 -3.442 204 1HB LEU 27 1HB LEU 27 5.776 -9.501 -4.578 205 2HB LEU 27 2HB LEU 27 4.954 -9.830 -6.086 206 HG LEU 27 HG LEU 27 4.333 -7.705 -4.788 207 1HD1 LEU 27 1HD1 LEU 27 3.072 -8.487 -6.705 208 2HD1 LEU 27 2HD1 LEU 27 1.986 -7.859 -5.467 209 3HD1 LEU 27 3HD1 LEU 27 2.168 -9.600 -5.681 210 1HD2 LEU 27 1HD2 LEU 27 2.569 -7.983 -3.109 211 2HD2 LEU 27 2HD2 LEU 27 4.097 -8.695 -2.587 212 3HD2 LEU 27 3HD2 LEU 27 2.795 -9.732 -3.171 213 H ASP 28 H ASP 28 4.187 -12.356 -6.765 214 HA ASP 28 HA ASP 28 1.378 -12.118 -7.073 215 1HB ASP 28 1HB ASP 28 2.808 -12.425 -9.010 216 2HB ASP 28 2HB ASP 28 3.350 -13.988 -8.407 217 H ASP 29 H ASP 29 3.452 -14.754 -5.982 218 HA ASP 29 HA ASP 29 1.545 -16.714 -5.430 219 1HB ASP 29 1HB ASP 29 4.049 -16.922 -5.304 220 2HB ASP 29 2HB ASP 29 3.990 -16.070 -3.780 221 H TRP 30 H TRP 30 2.922 -14.251 -3.331 222 HA TRP 30 HA TRP 30 1.305 -14.525 -1.099 223 1HB TRP 30 1HB TRP 30 2.853 -12.304 -2.294 224 2HB TRP 30 2HB TRP 30 1.605 -11.833 -1.146 225 HD1 TRP 30 HD1 TRP 30 4.675 -14.206 -1.275 226 HE1 TRP 30 HE1 TRP 30 5.699 -14.291 1.094 227 HE3 TRP 30 HE3 TRP 30 1.263 -11.303 1.183 228 HZ2 TRP 30 HZ2 TRP 30 5.126 -13.255 3.656 229 HZ3 TRP 30 HZ3 TRP 30 1.574 -10.895 3.590 230 HH2 TRP 30 HH2 TRP 30 3.465 -11.851 4.800 231 H LEU 31 H LEU 31 0.623 -12.728 -4.078 232 HA LEU 31 HA LEU 31 -1.738 -11.487 -3.196 233 1HB LEU 31 1HB LEU 31 -0.230 -11.621 -5.585 234 2HB LEU 31 2HB LEU 31 -1.885 -12.015 -6.001 235 HG LEU 31 HG LEU 31 -1.433 -9.628 -6.278 236 1HD1 LEU 31 1HD1 LEU 31 -3.297 -10.225 -3.988 237 2HD1 LEU 31 2HD1 LEU 31 -3.691 -10.315 -5.706 238 3HD1 LEU 31 3HD1 LEU 31 -3.305 -8.760 -4.969 239 1HD2 LEU 31 1HD2 LEU 31 -1.004 -8.216 -4.331 240 2HD2 LEU 31 2HD2 LEU 31 0.298 -9.378 -4.584 241 3HD2 LEU 31 3HD2 LEU 31 -0.890 -9.651 -3.313 242 H THR 32 H THR 32 -1.226 -14.649 -4.731 243 HA THR 32 HA THR 32 -4.035 -15.110 -5.035 244 HB THR 32 HB THR 32 -2.310 -16.245 -6.463 245 HG1 THR 32 HG1 THR 32 -4.466 -17.437 -5.189 246 1HG2 THR 32 1HG2 THR 32 -1.263 -18.296 -5.617 247 2HG2 THR 32 2HG2 THR 32 -1.893 -17.953 -4.006 248 3HG2 THR 32 3HG2 THR 32 -0.699 -16.876 -4.734 249 H GLN 33 H GLN 33 -1.732 -15.556 -2.489 250 HA GLN 33 HA GLN 33 -3.490 -17.278 -0.961 251 1HB GLN 33 1HB GLN 33 -0.789 -16.072 -0.438 252 2HB GLN 33 2HB GLN 33 -1.691 -16.890 0.822 253 1HG GLN 33 1HG GLN 33 -1.020 -18.190 -1.797 254 2HG GLN 33 2HG GLN 33 0.043 -18.253 -0.394 255 1HE2 GLN 33 1HE2 GLN 33 -3.458 -18.333 -0.185 256 2HE2 GLN 33 2HE2 GLN 33 -3.576 -19.962 0.365 257 H ALA 34 H ALA 34 -3.212 -13.992 -1.526 258 HA ALA 34 HA ALA 34 -4.428 -13.313 1.059 259 1HB ALA 34 1HB ALA 34 -3.187 -11.522 -1.028 260 2HB ALA 34 2HB ALA 34 -2.465 -11.991 0.510 261 3HB ALA 34 3HB ALA 34 -3.905 -10.972 0.483 262 HA PRO 35 HA PRO 35 -8.243 -13.367 -1.423 263 1HB PRO 35 1HB PRO 35 -9.368 -12.797 1.258 264 2HB PRO 35 2HB PRO 35 -9.799 -14.065 0.108 265 1HG PRO 35 1HG PRO 35 -8.446 -14.627 2.342 266 2HG PRO 35 2HG PRO 35 -8.103 -15.469 0.817 267 1HD PRO 35 1HD PRO 35 -6.590 -13.254 2.143 268 2HD PRO 35 2HD PRO 35 -5.976 -14.688 1.292 269 H ASP 36 H ASP 36 -7.351 -11.141 1.141 270 HA ASP 36 HA ASP 36 -8.862 -8.945 0.073 271 1HB ASP 36 1HB ASP 36 -6.651 -8.894 2.144 272 2HB ASP 36 2HB ASP 36 -7.875 -7.659 1.873 273 H GLY 37 H GLY 37 -5.513 -8.542 0.999 274 1HA GLY 37 1HA GLY 37 -3.605 -8.526 -0.412 275 2HA GLY 37 2HA GLY 37 -4.665 -8.384 -1.800 276 H VAL 38 H VAL 38 -2.553 -6.762 0.218 277 HA VAL 38 HA VAL 38 -3.229 -4.266 -1.153 278 HB VAL 38 HB VAL 38 -2.573 -2.978 0.917 279 1HG1 VAL 38 1HG1 VAL 38 -4.880 -3.083 0.213 280 2HG1 VAL 38 2HG1 VAL 38 -4.787 -3.165 1.972 281 3HG1 VAL 38 3HG1 VAL 38 -5.089 -4.629 1.038 282 1HG2 VAL 38 1HG2 VAL 38 -2.869 -4.099 3.085 283 2HG2 VAL 38 2HG2 VAL 38 -1.504 -4.745 2.174 284 3HG2 VAL 38 3HG2 VAL 38 -3.021 -5.643 2.247 285 H VAL 39 H VAL 39 -1.489 -3.210 -1.953 286 HA VAL 39 HA VAL 39 1.178 -4.153 -1.122 287 HB VAL 39 HB VAL 39 0.349 -3.608 -3.983 288 1HG1 VAL 39 1HG1 VAL 39 2.961 -4.624 -2.860 289 2HG1 VAL 39 2HG1 VAL 39 2.677 -3.023 -3.547 290 3HG1 VAL 39 3HG1 VAL 39 2.566 -4.457 -4.571 291 1HG2 VAL 39 1HG2 VAL 39 0.973 -6.229 -2.621 292 2HG2 VAL 39 2HG2 VAL 39 0.673 -6.014 -4.347 293 3HG2 VAL 39 3HG2 VAL 39 -0.613 -5.698 -3.180 294 H LEU 40 H LEU 40 2.567 -2.568 -0.653 295 HA LEU 40 HA LEU 40 1.778 0.180 -1.323 296 1HB LEU 40 1HB LEU 40 3.617 -0.920 0.797 297 2HB LEU 40 2HB LEU 40 3.534 0.787 0.413 298 HG LEU 40 HG LEU 40 1.053 0.647 0.975 299 1HD1 LEU 40 1HD1 LEU 40 0.381 -1.164 2.475 300 2HD1 LEU 40 2HD1 LEU 40 1.930 -1.962 2.202 301 3HD1 LEU 40 3HD1 LEU 40 0.793 -1.766 0.870 302 1HD2 LEU 40 1HD2 LEU 40 1.484 0.825 3.386 303 2HD2 LEU 40 2HD2 LEU 40 2.674 1.710 2.433 304 3HD2 LEU 40 3HD2 LEU 40 3.094 0.149 3.139 305 H LEU 41 H LEU 41 2.755 1.094 -2.996 306 HA LEU 41 HA LEU 41 5.371 0.072 -3.837 307 1HB LEU 41 1HB LEU 41 3.302 1.724 -5.284 308 2HB LEU 41 2HB LEU 41 4.891 1.389 -5.938 309 HG LEU 41 HG LEU 41 4.281 -1.091 -5.703 310 1HD1 LEU 41 1HD1 LEU 41 1.907 -1.615 -5.765 311 2HD1 LEU 41 2HD1 LEU 41 1.509 0.089 -5.545 312 3HD1 LEU 41 3HD1 LEU 41 2.327 -0.800 -4.259 313 1HD2 LEU 41 1HD2 LEU 41 2.809 0.653 -7.671 314 2HD2 LEU 41 2HD2 LEU 41 3.107 -1.077 -7.851 315 3HD2 LEU 41 3HD2 LEU 41 4.460 0.055 -7.835 316 H SER 42 H SER 42 4.935 1.914 -1.579 317 HA SER 42 HA SER 42 5.848 3.768 -0.638 318 1HB SER 42 1HB SER 42 7.695 3.680 -3.041 319 2HB SER 42 2HB SER 42 7.985 4.560 -1.541 320 HG SER 42 HG SER 42 8.163 1.838 -2.074 321 H SER 43 H SER 43 7.028 6.048 -2.029 322 HA SER 43 HA SER 43 4.990 6.990 -3.859 323 1HB SER 43 1HB SER 43 5.495 8.354 -1.202 324 2HB SER 43 2HB SER 43 4.613 9.085 -2.541 325 HG SER 43 HG SER 43 3.732 6.572 -1.904 326 H ASP 44 H ASP 44 5.565 9.147 -4.763 327 HA ASP 44 HA ASP 44 8.360 9.088 -5.480 328 1HB ASP 44 1HB ASP 44 6.656 9.459 -7.196 329 2HB ASP 44 2HB ASP 44 6.101 10.904 -6.361 330 HA PRO 45 HA PRO 45 9.296 12.261 -2.437 331 1HB PRO 45 1HB PRO 45 12.076 11.848 -2.977 332 2HB PRO 45 2HB PRO 45 11.148 11.281 -1.588 333 1HG PRO 45 1HG PRO 45 12.247 9.649 -3.537 334 2HG PRO 45 2HG PRO 45 10.928 9.190 -2.448 335 1HD PRO 45 1HD PRO 45 10.818 10.085 -5.294 336 2HD PRO 45 2HD PRO 45 9.825 8.880 -4.447 337 H LYS 46 H LYS 46 9.542 14.409 -2.770 338 HA LYS 46 HA LYS 46 10.640 15.225 -5.373 339 1HB LYS 46 1HB LYS 46 8.150 15.593 -4.886 340 2HB LYS 46 2HB LYS 46 8.680 16.852 -3.782 341 1HG LYS 46 1HG LYS 46 9.858 17.946 -5.662 342 2HG LYS 46 2HG LYS 46 9.174 16.731 -6.746 343 1HD LYS 46 1HD LYS 46 6.900 17.460 -5.822 344 2HD LYS 46 2HD LYS 46 7.754 18.867 -5.181 345 1HE LYS 46 1HE LYS 46 6.819 19.469 -7.296 346 2HE LYS 46 2HE LYS 46 8.566 19.333 -7.498 347 1HZ LYS 46 1HZ LYS 46 8.281 17.169 -8.479 348 2HZ LYS 46 2HZ LYS 46 7.300 18.277 -9.307 349 3HZ LYS 46 3HZ LYS 46 6.612 17.206 -8.188 350 H ARG 47 H ARG 47 9.853 17.244 -2.563 351 HA ARG 47 HA ARG 47 12.671 18.107 -2.546 352 1HB ARG 47 1HB ARG 47 10.948 19.798 -3.267 353 2HB ARG 47 2HB ARG 47 10.262 19.700 -1.652 354 1HG ARG 47 1HG ARG 47 11.697 21.643 -1.871 355 2HG ARG 47 2HG ARG 47 12.366 20.502 -0.704 356 1HD ARG 47 1HD ARG 47 13.961 19.709 -2.311 357 2HD ARG 47 2HD ARG 47 13.214 20.663 -3.590 358 HE ARG 47 HE ARG 47 13.933 22.660 -2.252 359 1HH1 ARG 47 1HH1 ARG 47 15.624 19.606 -1.980 360 2HH1 ARG 47 2HH1 ARG 47 17.141 20.327 -1.558 361 1HH2 ARG 47 1HH2 ARG 47 15.945 23.631 -1.697 362 2HH2 ARG 47 2HH2 ARG 47 17.334 22.620 -1.421 363 H THR 48 H THR 48 9.913 17.134 -0.636 364 HA THR 48 HA THR 48 10.945 17.523 1.942 365 HB THR 48 HB THR 48 9.147 15.230 1.142 366 HG1 THR 48 HG1 THR 48 8.047 17.691 1.931 367 1HG2 THR 48 1HG2 THR 48 9.912 15.258 3.471 368 2HG2 THR 48 2HG2 THR 48 8.181 15.574 3.364 369 3HG2 THR 48 3HG2 THR 48 9.304 16.903 3.653 370 HA PRO 49 HA PRO 49 14.084 14.299 1.658 371 1HB PRO 49 1HB PRO 49 15.550 15.091 3.753 372 2HB PRO 49 2HB PRO 49 15.537 16.010 2.244 373 1HG PRO 49 1HG PRO 49 14.113 16.556 4.809 374 2HG PRO 49 2HG PRO 49 14.892 17.691 3.698 375 1HD PRO 49 1HD PRO 49 12.169 17.180 3.807 376 2HD PRO 49 2HD PRO 49 13.020 17.891 2.421 377 H GLU 50 H GLU 50 11.491 14.398 3.513 378 HA GLU 50 HA GLU 50 12.330 12.135 5.169 379 1HB GLU 50 1HB GLU 50 10.420 14.352 5.936 380 2HB GLU 50 2HB GLU 50 10.654 12.879 6.868 381 1HG GLU 50 1HG GLU 50 13.025 13.476 7.157 382 2HG GLU 50 2HG GLU 50 12.727 14.987 6.299 383 H VAL 51 H VAL 51 11.631 10.733 3.608 384 HA VAL 51 HA VAL 51 9.074 10.871 2.361 385 HB VAL 51 HB VAL 51 10.903 8.474 2.566 386 1HG1 VAL 51 1HG1 VAL 51 9.853 7.804 0.449 387 2HG1 VAL 51 2HG1 VAL 51 8.791 9.209 0.539 388 3HG1 VAL 51 3HG1 VAL 51 8.672 7.934 1.751 389 1HG2 VAL 51 1HG2 VAL 51 11.841 9.227 0.416 390 2HG2 VAL 51 2HG2 VAL 51 12.157 10.370 1.722 391 3HG2 VAL 51 3HG2 VAL 51 10.892 10.709 0.541 392 H SER 52 H SER 52 10.218 9.552 5.337 393 HA SER 52 HA SER 52 8.315 7.480 5.634 394 1HB SER 52 1HB SER 52 10.455 7.543 6.875 395 2HB SER 52 2HB SER 52 9.866 8.933 7.783 396 HG SER 52 HG SER 52 8.020 7.080 7.978 397 H ASP 53 H ASP 53 8.401 10.828 6.673 398 HA ASP 53 HA ASP 53 6.987 12.187 7.797 399 1HB ASP 53 1HB ASP 53 5.756 11.860 5.648 400 2HB ASP 53 2HB ASP 53 4.828 10.585 6.427 401 H ASN 54 H ASN 54 4.589 9.637 7.856 402 HA ASN 54 HA ASN 54 5.259 8.732 10.496 403 1HB ASN 54 1HB ASN 54 4.029 10.938 10.862 404 2HB ASN 54 2HB ASN 54 2.607 10.149 10.186 405 1HD2 ASN 54 1HD2 ASN 54 5.053 8.696 12.256 406 2HD2 ASN 54 2HD2 ASN 54 4.001 8.382 13.588 407 HA PRO 55 HA PRO 55 3.067 5.781 7.744 408 1HB PRO 55 1HB PRO 55 4.672 3.671 8.146 409 2HB PRO 55 2HB PRO 55 5.152 5.012 7.103 410 1HG PRO 55 1HG PRO 55 5.952 4.428 9.926 411 2HG PRO 55 2HG PRO 55 6.945 4.997 8.573 412 1HD PRO 55 1HD PRO 55 5.930 6.628 10.541 413 2HD PRO 55 2HD PRO 55 6.364 7.178 8.911 414 H VAL 56 H VAL 56 2.047 6.395 10.307 415 HA VAL 56 HA VAL 56 1.685 3.797 11.623 416 HB VAL 56 HB VAL 56 0.873 6.559 12.566 417 1HG1 VAL 56 1HG1 VAL 56 0.889 3.918 14.028 418 2HG1 VAL 56 2HG1 VAL 56 -0.543 4.809 13.512 419 3HG1 VAL 56 3HG1 VAL 56 0.521 5.486 14.745 420 1HG2 VAL 56 1HG2 VAL 56 3.207 4.823 13.371 421 2HG2 VAL 56 2HG2 VAL 56 2.749 6.341 14.141 422 3HG2 VAL 56 3HG2 VAL 56 3.293 6.332 12.462 423 H MET 57 H MET 57 0.080 6.138 9.666 424 HA MET 57 HA MET 57 -2.576 5.694 10.487 425 1HB MET 57 1HB MET 57 -3.256 6.949 8.578 426 2HB MET 57 2HB MET 57 -1.786 7.680 9.197 427 1HG MET 57 1HG MET 57 -1.996 5.866 6.806 428 2HG MET 57 2HG MET 57 -1.797 7.614 6.779 429 1HE MET 57 1HE MET 57 0.287 7.540 5.217 430 2HE MET 57 2HE MET 57 0.109 5.790 5.097 431 3HE MET 57 3HE MET 57 1.682 6.493 5.475 432 H ILE 58 H ILE 58 -0.508 3.914 8.358 433 HA ILE 58 HA ILE 58 -2.444 2.511 6.881 434 HB ILE 58 HB ILE 58 0.283 1.565 7.788 435 1HG1 ILE 58 1HG1 ILE 58 0.373 3.623 6.457 436 2HG1 ILE 58 2HG1 ILE 58 1.030 2.257 5.557 437 1HG2 ILE 58 1HG2 ILE 58 0.137 -0.008 5.891 438 2HG2 ILE 58 2HG2 ILE 58 -1.540 0.483 5.643 439 3HG2 ILE 58 3HG2 ILE 58 -1.069 -0.325 7.138 440 1HD1 ILE 58 1HD1 ILE 58 -1.730 3.420 5.213 441 2HD1 ILE 58 2HD1 ILE 58 -1.039 2.085 4.291 442 3HD1 ILE 58 3HD1 ILE 58 -0.347 3.701 4.153 443 H GLY 59 H GLY 59 -0.914 1.792 10.009 444 1HA GLY 59 1HA GLY 59 -2.242 -0.720 10.338 445 2HA GLY 59 2HA GLY 59 -1.382 0.174 11.586 446 H GLU 60 H GLU 60 -2.908 2.577 11.284 447 HA GLU 60 HA GLU 60 -5.058 2.032 13.042 448 1HB GLU 60 1HB GLU 60 -4.364 4.501 11.446 449 2HB GLU 60 2HB GLU 60 -5.574 4.440 12.717 450 1HG GLU 60 1HG GLU 60 -2.661 3.816 13.118 451 2HG GLU 60 2HG GLU 60 -3.401 5.384 13.434 452 H LEU 61 H LEU 61 -4.792 2.410 9.584 453 HA LEU 61 HA LEU 61 -7.544 2.905 9.058 454 1HB LEU 61 1HB LEU 61 -5.725 3.523 7.515 455 2HB LEU 61 2HB LEU 61 -5.388 1.825 7.241 456 HG LEU 61 HG LEU 61 -7.683 1.580 6.295 457 1HD1 LEU 61 1HD1 LEU 61 -8.908 3.598 5.667 458 2HD1 LEU 61 2HD1 LEU 61 -7.708 4.588 6.500 459 3HD1 LEU 61 3HD1 LEU 61 -8.726 3.479 7.417 460 1HD2 LEU 61 1HD2 LEU 61 -7.151 2.634 4.168 461 2HD2 LEU 61 2HD2 LEU 61 -5.718 1.881 4.867 462 3HD2 LEU 61 3HD2 LEU 61 -5.925 3.629 4.954 463 H LEU 62 H LEU 62 -5.506 0.011 8.902 464 HA LEU 62 HA LEU 62 -7.425 -1.755 7.893 465 1HB LEU 62 1HB LEU 62 -4.900 -2.076 9.444 466 2HB LEU 62 2HB LEU 62 -5.957 -3.464 9.287 467 HG LEU 62 HG LEU 62 -5.770 -3.382 6.857 468 1HD1 LEU 62 1HD1 LEU 62 -5.549 -0.968 6.567 469 2HD1 LEU 62 2HD1 LEU 62 -4.252 -1.838 5.746 470 3HD1 LEU 62 3HD1 LEU 62 -3.936 -1.028 7.280 471 1HD2 LEU 62 1HD2 LEU 62 -3.397 -3.949 6.660 472 2HD2 LEU 62 2HD2 LEU 62 -4.123 -4.664 8.099 473 3HD2 LEU 62 3HD2 LEU 62 -3.099 -3.235 8.245 474 H ARG 63 H ARG 63 -6.997 -0.481 11.074 475 HA ARG 63 HA ARG 63 -8.281 -2.467 12.574 476 1HB ARG 63 1HB ARG 63 -7.433 0.308 12.986 477 2HB ARG 63 2HB ARG 63 -8.809 -0.180 13.969 478 1HG ARG 63 1HG ARG 63 -6.157 -1.602 13.829 479 2HG ARG 63 2HG ARG 63 -6.708 -0.551 15.139 480 1HD ARG 63 1HD ARG 63 -8.577 -2.054 15.571 481 2HD ARG 63 2HD ARG 63 -8.063 -3.092 14.245 482 HE ARG 63 HE ARG 63 -5.903 -2.923 15.962 483 1HH1 ARG 63 1HH1 ARG 63 -9.229 -4.003 16.095 484 2HH1 ARG 63 2HH1 ARG 63 -8.932 -5.207 17.315 485 1HH2 ARG 63 1HH2 ARG 63 -5.489 -4.506 17.564 486 2HH2 ARG 63 2HH2 ARG 63 -6.794 -5.501 18.146 487 H GLU 64 H GLU 64 -9.640 -0.260 10.343 488 HA GLU 64 HA GLU 64 -12.202 0.026 11.504 489 1HB GLU 64 1HB GLU 64 -11.305 0.156 8.623 490 2HB GLU 64 2HB GLU 64 -12.938 0.537 9.154 491 1HG GLU 64 1HG GLU 64 -10.420 1.950 9.997 492 2HG GLU 64 2HG GLU 64 -11.628 2.554 8.864 493 H PHE 65 H PHE 65 -10.850 -2.345 9.243 494 HA PHE 65 HA PHE 65 -13.049 -4.156 9.929 495 1HB PHE 65 1HB PHE 65 -12.234 -3.434 7.106 496 2HB PHE 65 2HB PHE 65 -13.217 -4.837 7.505 497 HD1 PHE 65 HD1 PHE 65 -13.131 -1.201 7.230 498 HD2 PHE 65 HD2 PHE 65 -15.511 -4.577 8.243 499 HE1 PHE 65 HE1 PHE 65 -15.149 0.198 7.126 500 HE2 PHE 65 HE2 PHE 65 -17.536 -3.183 8.136 501 HZ PHE 65 HZ PHE 65 -17.360 -0.793 7.578 502 HA PRO 66 HA PRO 66 -8.920 -6.222 9.759 503 1HB PRO 66 1HB PRO 66 -8.534 -6.706 12.349 504 2HB PRO 66 2HB PRO 66 -8.301 -5.081 11.689 505 1HG PRO 66 1HG PRO 66 -10.544 -6.165 13.314 506 2HG PRO 66 2HG PRO 66 -9.854 -4.534 13.296 507 1HD PRO 66 1HD PRO 66 -12.182 -5.412 11.952 508 2HD PRO 66 2HD PRO 66 -11.359 -3.853 11.744 509 H ASP 67 H ASP 67 -11.892 -7.275 9.887 510 HA ASP 67 HA ASP 67 -11.726 -9.692 11.389 511 1HB ASP 67 1HB ASP 67 -13.851 -8.484 10.991 512 2HB ASP 67 2HB ASP 67 -13.746 -8.905 9.285 513 H TYR 68 H TYR 68 -10.963 -8.816 8.160 514 HA TYR 68 HA TYR 68 -10.735 -11.623 7.351 515 1HB TYR 68 1HB TYR 68 -11.705 -9.494 5.960 516 2HB TYR 68 2HB TYR 68 -10.032 -9.505 5.415 517 HD1 TYR 68 HD1 TYR 68 -12.406 -9.993 3.635 518 HD2 TYR 68 HD2 TYR 68 -9.983 -12.700 5.846 519 HE1 TYR 68 HE1 TYR 68 -12.957 -11.783 2.042 520 HE2 TYR 68 HE2 TYR 68 -10.531 -14.497 4.257 521 HH TYR 68 HH TYR 68 -11.936 -13.924 1.250 522 H THR 69 H THR 69 -8.595 -11.014 5.390 523 HA THR 69 HA THR 69 -6.408 -10.867 7.357 524 HB THR 69 HB THR 69 -5.174 -12.345 5.687 525 HG1 THR 69 HG1 THR 69 -7.262 -11.993 4.230 526 1HG2 THR 69 1HG2 THR 69 -5.947 -13.134 7.871 527 2HG2 THR 69 2HG2 THR 69 -6.121 -14.391 6.648 528 3HG2 THR 69 3HG2 THR 69 -7.533 -13.483 7.185 529 H TRP 70 H TRP 70 -5.558 -8.899 7.101 530 HA TRP 70 HA TRP 70 -5.211 -7.850 4.398 531 1HB TRP 70 1HB TRP 70 -4.925 -6.514 7.095 532 2HB TRP 70 2HB TRP 70 -4.595 -5.721 5.555 533 HD1 TRP 70 HD1 TRP 70 -7.353 -6.419 7.939 534 HE1 TRP 70 HE1 TRP 70 -9.602 -5.656 6.945 535 HE3 TRP 70 HE3 TRP 70 -5.876 -5.646 3.105 536 HZ2 TRP 70 HZ2 TRP 70 -10.612 -4.842 4.432 537 HZ3 TRP 70 HZ3 TRP 70 -7.543 -4.879 1.470 538 HH2 TRP 70 HH2 TRP 70 -9.862 -4.487 2.121 539 H GLN 71 H GLN 71 -3.556 -9.247 3.801 540 HA GLN 71 HA GLN 71 -1.067 -9.285 5.222 541 1HB GLN 71 1HB GLN 71 -1.689 -10.199 2.405 542 2HB GLN 71 2HB GLN 71 -0.249 -10.602 3.330 543 1HG GLN 71 1HG GLN 71 -1.610 -11.798 4.956 544 2HG GLN 71 2HG GLN 71 -3.065 -11.377 4.056 545 1HE2 GLN 71 1HE2 GLN 71 -3.631 -13.504 3.689 546 2HE2 GLN 71 2HE2 GLN 71 -2.768 -14.524 2.593 547 H VAL 72 H VAL 72 0.019 -7.424 5.338 548 HA VAL 72 HA VAL 72 -0.054 -5.529 3.144 549 HB VAL 72 HB VAL 72 1.358 -5.319 5.810 550 1HG1 VAL 72 1HG1 VAL 72 0.694 -3.196 3.773 551 2HG1 VAL 72 2HG1 VAL 72 2.296 -3.857 4.090 552 3HG1 VAL 72 3HG1 VAL 72 1.464 -2.929 5.339 553 1HG2 VAL 72 1HG2 VAL 72 -0.520 -3.894 6.485 554 2HG2 VAL 72 2HG2 VAL 72 -1.045 -5.536 6.117 555 3HG2 VAL 72 3HG2 VAL 72 -1.329 -4.238 4.957 556 H ALA 73 H ALA 73 1.216 -6.086 1.507 557 HA ALA 73 HA ALA 73 3.929 -7.049 2.090 558 1HB ALA 73 1HB ALA 73 2.560 -8.547 0.724 559 2HB ALA 73 2HB ALA 73 3.933 -7.919 -0.188 560 3HB ALA 73 3HB ALA 73 2.323 -7.255 -0.453 561 H ILE 74 H ILE 74 5.633 -5.843 1.582 562 HA ILE 74 HA ILE 74 5.200 -3.483 -0.128 563 HB ILE 74 HB ILE 74 7.214 -2.513 0.992 564 1HG1 ILE 74 1HG1 ILE 74 6.803 -4.815 2.909 565 2HG1 ILE 74 2HG1 ILE 74 8.195 -4.580 1.859 566 1HG2 ILE 74 1HG2 ILE 74 4.839 -3.134 2.744 567 2HG2 ILE 74 2HG2 ILE 74 4.994 -1.785 1.615 568 3HG2 ILE 74 3HG2 ILE 74 6.022 -1.861 3.046 569 1HD1 ILE 74 1HD1 ILE 74 8.722 -3.955 4.126 570 2HD1 ILE 74 2HD1 ILE 74 7.374 -2.818 4.158 571 3HD1 ILE 74 3HD1 ILE 74 8.746 -2.529 3.087 572 H ALA 75 H ALA 75 6.604 -3.142 -1.815 573 HA ALA 75 HA ALA 75 8.265 -5.482 -2.462 574 1HB ALA 75 1HB ALA 75 7.073 -3.417 -4.308 575 2HB ALA 75 2HB ALA 75 6.429 -5.030 -4.012 576 3HB ALA 75 3HB ALA 75 7.995 -4.838 -4.797 577 H ASP 76 H ASP 76 10.311 -5.215 -3.399 578 HA ASP 76 HA ASP 76 11.986 -3.190 -2.503 579 1HB ASP 76 1HB ASP 76 12.328 -4.804 -5.042 580 2HB ASP 76 2HB ASP 76 13.603 -3.995 -4.140 581 H LEU 77 H LEU 77 13.073 -1.499 -3.786 582 HA LEU 77 HA LEU 77 11.162 0.306 -4.694 583 1HB LEU 77 1HB LEU 77 13.310 0.944 -3.714 584 2HB LEU 77 2HB LEU 77 14.146 0.331 -5.127 585 HG LEU 77 HG LEU 77 12.989 2.033 -6.505 586 1HD1 LEU 77 1HD1 LEU 77 11.861 3.895 -5.406 587 2HD1 LEU 77 2HD1 LEU 77 12.047 3.092 -3.848 588 3HD1 LEU 77 3HD1 LEU 77 11.029 2.371 -5.094 589 1HD2 LEU 77 1HD2 LEU 77 14.302 3.938 -5.703 590 2HD2 LEU 77 2HD2 LEU 77 15.237 2.442 -5.681 591 3HD2 LEU 77 3HD2 LEU 77 14.582 3.095 -4.179 592 H GLU 78 H GLU 78 13.640 -1.417 -6.622 593 HA GLU 78 HA GLU 78 12.554 -0.431 -9.079 594 1HB GLU 78 1HB GLU 78 14.518 -2.664 -8.582 595 2HB GLU 78 2HB GLU 78 14.159 -1.958 -10.150 596 1HG GLU 78 1HG GLU 78 14.967 0.222 -9.289 597 2HG GLU 78 2HG GLU 78 15.445 -0.593 -7.801 598 H GLN 79 H GLN 79 12.017 -3.210 -7.088 599 HA GLN 79 HA GLN 79 10.829 -4.860 -9.074 600 1HB GLN 79 1HB GLN 79 10.623 -4.898 -6.061 601 2HB GLN 79 2HB GLN 79 9.939 -6.135 -7.108 602 1HG GLN 79 1HG GLN 79 12.861 -5.423 -7.106 603 2HG GLN 79 2HG GLN 79 12.166 -6.664 -6.065 604 1HE2 GLN 79 1HE2 GLN 79 13.417 -8.265 -7.042 605 2HE2 GLN 79 2HE2 GLN 79 13.049 -8.877 -8.619 606 H SER 80 H SER 80 9.668 -2.331 -6.971 607 HA SER 80 HA SER 80 6.909 -2.796 -7.214 608 1HB SER 80 1HB SER 80 8.376 -0.172 -6.855 609 2HB SER 80 2HB SER 80 6.656 -0.433 -6.562 610 HG SER 80 HG SER 80 8.829 -1.654 -5.189 611 H GLU 81 H GLU 81 9.198 -1.042 -9.234 612 HA GLU 81 HA GLU 81 7.337 0.090 -11.016 613 1HB GLU 81 1HB GLU 81 10.212 -0.708 -11.477 614 2HB GLU 81 2HB GLU 81 9.268 0.322 -12.535 615 1HG GLU 81 1HG GLU 81 9.010 1.915 -10.640 616 2HG GLU 81 2HG GLU 81 10.125 0.908 -9.715 617 H ALA 82 H ALA 82 9.116 -2.958 -11.044 618 HA ALA 82 HA ALA 82 8.281 -3.835 -13.584 619 1HB ALA 82 1HB ALA 82 9.104 -5.473 -11.188 620 2HB ALA 82 2HB ALA 82 10.183 -4.827 -12.426 621 3HB ALA 82 3HB ALA 82 8.996 -6.063 -12.846 622 H ILE 83 H ILE 83 6.890 -4.262 -10.361 623 HA ILE 83 HA ILE 83 4.792 -5.996 -11.078 624 HB ILE 83 HB ILE 83 4.955 -3.962 -8.846 625 1HG1 ILE 83 1HG1 ILE 83 5.339 -6.964 -8.851 626 2HG1 ILE 83 2HG1 ILE 83 6.638 -5.778 -8.792 627 1HG2 ILE 83 1HG2 ILE 83 2.619 -4.477 -9.351 628 2HG2 ILE 83 2HG2 ILE 83 3.100 -5.167 -7.799 629 3HG2 ILE 83 3HG2 ILE 83 2.966 -6.200 -9.223 630 1HD1 ILE 83 1HD1 ILE 83 5.772 -4.974 -6.644 631 2HD1 ILE 83 2HD1 ILE 83 6.209 -6.683 -6.597 632 3HD1 ILE 83 3HD1 ILE 83 4.514 -6.207 -6.704 633 H GLY 84 H GLY 84 4.902 -2.449 -10.806 634 1HA GLY 84 1HA GLY 84 2.260 -1.944 -11.620 635 2HA GLY 84 2HA GLY 84 3.603 -0.818 -11.772 636 H ASP 85 H ASP 85 5.257 -2.085 -13.502 637 HA ASP 85 HA ASP 85 4.212 -1.522 -16.027 638 1HB ASP 85 1HB ASP 85 6.615 -1.592 -15.523 639 2HB ASP 85 2HB ASP 85 6.522 -3.331 -15.285 640 H ARG 86 H ARG 86 4.644 -4.625 -14.387 641 HA ARG 86 HA ARG 86 3.754 -6.329 -16.400 642 1HB ARG 86 1HB ARG 86 4.831 -7.263 -14.494 643 2HB ARG 86 2HB ARG 86 3.660 -6.550 -13.396 644 1HG ARG 86 1HG ARG 86 1.920 -8.023 -14.384 645 2HG ARG 86 2HG ARG 86 3.184 -8.804 -15.333 646 1HD ARG 86 1HD ARG 86 4.189 -9.741 -13.453 647 2HD ARG 86 2HD ARG 86 3.418 -8.593 -12.355 648 HE ARG 86 HE ARG 86 1.458 -10.153 -13.657 649 1HH1 ARG 86 1HH1 ARG 86 3.963 -10.507 -11.223 650 2HH1 ARG 86 2HH1 ARG 86 3.063 -11.672 -10.311 651 1HH2 ARG 86 1HH2 ARG 86 0.296 -11.688 -12.464 652 2HH2 ARG 86 2HH2 ARG 86 0.969 -12.342 -10.997 653 H PHE 87 H PHE 87 1.932 -4.456 -14.052 654 HA PHE 87 HA PHE 87 -0.557 -5.781 -14.723 655 1HB PHE 87 1HB PHE 87 0.052 -4.842 -12.419 656 2HB PHE 87 2HB PHE 87 -0.248 -3.252 -13.102 657 HD1 PHE 87 HD1 PHE 87 -1.696 -6.190 -11.663 658 HD2 PHE 87 HD2 PHE 87 -2.558 -2.735 -13.984 659 HE1 PHE 87 HE1 PHE 87 -4.088 -6.443 -11.143 660 HE2 PHE 87 HE2 PHE 87 -4.950 -2.976 -13.468 661 HZ PHE 87 HZ PHE 87 -5.720 -4.833 -12.048 662 H GLY 88 H GLY 88 1.054 -2.714 -15.343 663 1HA GLY 88 1HA GLY 88 0.742 -1.535 -17.407 664 2HA GLY 88 2HA GLY 88 -0.888 -2.191 -17.497 665 H VAL 89 H VAL 89 0.559 -0.794 -14.619 666 HA VAL 89 HA VAL 89 -1.656 1.104 -14.486 667 HB VAL 89 HB VAL 89 0.466 0.567 -12.397 668 1HG1 VAL 89 1HG1 VAL 89 -2.281 1.787 -12.159 669 2HG1 VAL 89 2HG1 VAL 89 -0.758 2.671 -12.116 670 3HG1 VAL 89 3HG1 VAL 89 -1.144 1.520 -10.836 671 1HG2 VAL 89 1HG2 VAL 89 -0.695 -1.505 -12.902 672 2HG2 VAL 89 2HG2 VAL 89 -2.252 -0.702 -12.703 673 3HG2 VAL 89 3HG2 VAL 89 -1.179 -0.897 -11.318 674 H PHE 90 H PHE 90 1.574 1.038 -15.452 675 HA PHE 90 HA PHE 90 3.119 2.603 -16.024 676 1HB PHE 90 1HB PHE 90 1.151 3.903 -16.896 677 2HB PHE 90 2HB PHE 90 1.028 4.686 -15.328 678 HD1 PHE 90 HD1 PHE 90 2.118 6.683 -14.974 679 HD2 PHE 90 HD2 PHE 90 3.437 4.128 -18.110 680 HE1 PHE 90 HE1 PHE 90 3.688 8.421 -15.727 681 HE2 PHE 90 HE2 PHE 90 5.009 5.859 -18.864 682 HZ PHE 90 HZ PHE 90 5.139 8.010 -17.675 683 H ARG 91 H ARG 91 4.316 4.616 -14.904 684 HA ARG 91 HA ARG 91 4.968 3.674 -12.297 685 1HB ARG 91 1HB ARG 91 6.652 4.692 -13.797 686 2HB ARG 91 2HB ARG 91 5.836 6.243 -13.637 687 1HG ARG 91 1HG ARG 91 6.225 6.056 -11.154 688 2HG ARG 91 2HG ARG 91 7.275 4.685 -11.507 689 1HD ARG 91 1HD ARG 91 8.688 6.112 -12.893 690 2HD ARG 91 2HD ARG 91 7.623 7.483 -12.585 691 HE ARG 91 HE ARG 91 9.371 6.174 -10.601 692 1HH1 ARG 91 1HH1 ARG 91 7.434 8.915 -11.629 693 2HH1 ARG 91 2HH1 ARG 91 7.859 9.888 -10.259 694 1HH2 ARG 91 1HH2 ARG 91 9.911 7.461 -8.781 695 2HH2 ARG 91 2HH2 ARG 91 9.259 9.082 -8.650 696 H PHE 92 H PHE 92 3.254 3.868 -10.920 697 HA PHE 92 HA PHE 92 2.822 6.580 -9.929 698 1HB PHE 92 1HB PHE 92 0.891 6.051 -11.397 699 2HB PHE 92 2HB PHE 92 0.556 4.629 -10.417 700 HD1 PHE 92 HD1 PHE 92 -0.841 4.786 -8.571 701 HD2 PHE 92 HD2 PHE 92 0.858 8.328 -10.212 702 HE1 PHE 92 HE1 PHE 92 -2.248 6.146 -7.081 703 HE2 PHE 92 HE2 PHE 92 -0.543 9.695 -8.723 704 HZ PHE 92 HZ PHE 92 -2.099 8.606 -7.156 705 HA PRO 93 HA PRO 93 3.738 3.851 -6.451 706 1HB PRO 93 1HB PRO 93 4.997 6.008 -5.110 707 2HB PRO 93 2HB PRO 93 5.780 4.699 -5.996 708 1HG PRO 93 1HG PRO 93 5.766 7.393 -6.725 709 2HG PRO 93 2HG PRO 93 6.214 6.035 -7.767 710 1HD PRO 93 1HD PRO 93 3.663 7.565 -7.629 711 2HD PRO 93 2HD PRO 93 4.450 6.802 -9.027 712 H ALA 94 H ALA 94 2.262 3.457 -4.997 713 HA ALA 94 HA ALA 94 1.390 5.306 -3.047 714 1HB ALA 94 1HB ALA 94 -0.969 5.480 -3.652 715 2HB ALA 94 2HB ALA 94 -0.664 4.589 -5.143 716 3HB ALA 94 3HB ALA 94 0.047 6.185 -4.910 717 H THR 95 H THR 95 -0.918 4.193 -2.158 718 HA THR 95 HA THR 95 -0.150 1.413 -1.656 719 HB THR 95 HB THR 95 -2.307 3.055 -0.306 720 HG1 THR 95 HG1 THR 95 0.287 3.342 -0.126 721 1HG2 THR 95 1HG2 THR 95 -2.161 1.348 1.451 722 2HG2 THR 95 2HG2 THR 95 -0.975 0.462 0.494 723 3HG2 THR 95 3HG2 THR 95 -2.629 0.638 -0.092 724 H LEU 96 H LEU 96 -0.964 0.003 -3.068 725 HA LEU 96 HA LEU 96 -3.534 0.573 -4.337 726 1HB LEU 96 1HB LEU 96 -1.464 -1.552 -4.931 727 2HB LEU 96 2HB LEU 96 -2.949 -1.321 -5.833 728 HG LEU 96 HG LEU 96 -0.655 0.636 -5.657 729 1HD1 LEU 96 1HD1 LEU 96 -0.388 0.130 -8.040 730 2HD1 LEU 96 2HD1 LEU 96 -1.663 -1.083 -7.919 731 3HD1 LEU 96 3HD1 LEU 96 -0.152 -1.300 -7.033 732 1HD2 LEU 96 1HD2 LEU 96 -2.786 1.803 -5.810 733 2HD2 LEU 96 2HD2 LEU 96 -3.251 0.800 -7.181 734 3HD2 LEU 96 3HD2 LEU 96 -1.902 1.924 -7.332 735 H VAL 97 H VAL 97 -5.318 -0.290 -3.545 736 HA VAL 97 HA VAL 97 -5.099 -2.665 -1.838 737 HB VAL 97 HB VAL 97 -6.218 -0.804 -0.757 738 1HG1 VAL 97 1HG1 VAL 97 -8.164 -0.866 -3.055 739 2HG1 VAL 97 2HG1 VAL 97 -7.024 0.423 -2.672 740 3HG1 VAL 97 3HG1 VAL 97 -8.363 0.075 -1.579 741 1HG2 VAL 97 1HG2 VAL 97 -8.333 -1.891 -0.141 742 2HG2 VAL 97 2HG2 VAL 97 -6.986 -3.027 -0.186 743 3HG2 VAL 97 3HG2 VAL 97 -8.152 -2.989 -1.508 744 H PHE 98 H PHE 98 -5.917 -4.562 -2.433 745 HA PHE 98 HA PHE 98 -7.391 -4.652 -4.982 746 1HB PHE 98 1HB PHE 98 -5.439 -6.670 -3.844 747 2HB PHE 98 2HB PHE 98 -6.355 -6.879 -5.331 748 HD1 PHE 98 HD1 PHE 98 -5.926 -5.328 -7.247 749 HD2 PHE 98 HD2 PHE 98 -3.420 -5.479 -3.812 750 HE1 PHE 98 HE1 PHE 98 -4.132 -4.225 -8.516 751 HE2 PHE 98 HE2 PHE 98 -1.622 -4.369 -5.071 752 HZ PHE 98 HZ PHE 98 -1.978 -3.741 -7.425 753 H THR 99 H THR 99 -8.593 -6.788 -5.199 754 HA THR 99 HA THR 99 -9.497 -8.020 -2.736 755 HB THR 99 HB THR 99 -11.931 -7.723 -3.735 756 HG1 THR 99 HG1 THR 99 -10.391 -5.765 -4.965 757 1HG2 THR 99 1HG2 THR 99 -12.310 -5.829 -2.220 758 2HG2 THR 99 2HG2 THR 99 -10.569 -5.564 -2.115 759 3HG2 THR 99 3HG2 THR 99 -11.276 -7.049 -1.473 760 H GLY 100 H GLY 100 -9.556 -10.138 -3.125 761 1HA GLY 100 1HA GLY 100 -9.598 -12.140 -4.250 762 2HA GLY 100 2HA GLY 100 -10.849 -11.404 -5.242 763 H GLY 101 H GLY 101 -7.583 -10.143 -5.079 764 1HA GLY 101 1HA GLY 101 -5.827 -10.292 -6.593 765 2HA GLY 101 2HA GLY 101 -6.751 -11.466 -7.514 766 H ASN 102 H ASN 102 -8.775 -8.917 -7.001 767 HA ASN 102 HA ASN 102 -8.052 -7.729 -9.594 768 1HB ASN 102 1HB ASN 102 -10.608 -8.479 -8.391 769 2HB ASN 102 2HB ASN 102 -10.605 -6.844 -9.046 770 1HD2 ASN 102 1HD2 ASN 102 -10.305 -10.216 -9.775 771 2HD2 ASN 102 2HD2 ASN 102 -10.488 -10.073 -11.494 772 H TYR 103 H TYR 103 -8.422 -5.459 -9.878 773 HA TYR 103 HA TYR 103 -7.230 -3.947 -7.775 774 1HB TYR 103 1HB TYR 103 -6.865 -3.569 -10.226 775 2HB TYR 103 2HB TYR 103 -8.509 -2.958 -10.332 776 HD1 TYR 103 HD1 TYR 103 -5.174 -2.316 -8.869 777 HD2 TYR 103 HD2 TYR 103 -9.024 -0.726 -9.737 778 HE1 TYR 103 HE1 TYR 103 -4.357 -0.063 -8.328 779 HE2 TYR 103 HE2 TYR 103 -8.218 1.534 -9.201 780 HH TYR 103 HH TYR 103 -6.397 2.567 -7.833 781 H ARG 104 H ARG 104 -8.260 -3.104 -6.089 782 HA ARG 104 HA ARG 104 -11.154 -2.722 -6.210 783 1HB ARG 104 1HB ARG 104 -10.287 -3.949 -4.293 784 2HB ARG 104 2HB ARG 104 -9.210 -2.622 -3.894 785 1HG ARG 104 1HG ARG 104 -11.103 -2.654 -2.392 786 2HG ARG 104 2HG ARG 104 -11.145 -1.206 -3.394 787 1HD ARG 104 1HD ARG 104 -12.653 -3.638 -4.247 788 2HD ARG 104 2HD ARG 104 -13.317 -2.602 -2.985 789 HE ARG 104 HE ARG 104 -12.509 -1.184 -5.366 790 1HH1 ARG 104 1HH1 ARG 104 -15.098 -2.942 -3.787 791 2HH1 ARG 104 2HH1 ARG 104 -16.351 -2.159 -4.701 792 1HH2 ARG 104 1HH2 ARG 104 -14.163 -0.141 -6.571 793 2HH2 ARG 104 2HH2 ARG 104 -15.820 -0.565 -6.271 794 H GLY 105 H GLY 105 -8.208 -0.901 -5.417 795 1HA GLY 105 1HA GLY 105 -8.998 1.459 -6.677 796 2HA GLY 105 2HA GLY 105 -9.505 1.581 -4.997 797 H VAL 106 H VAL 106 -7.972 3.445 -5.134 798 HA VAL 106 HA VAL 106 -5.309 2.515 -4.325 799 HB VAL 106 HB VAL 106 -5.081 3.255 -6.636 800 1HG1 VAL 106 1HG1 VAL 106 -6.158 5.912 -5.693 801 2HG1 VAL 106 2HG1 VAL 106 -6.973 4.779 -6.771 802 3HG1 VAL 106 3HG1 VAL 106 -5.490 5.581 -7.291 803 1HG2 VAL 106 1HG2 VAL 106 -3.325 4.952 -6.324 804 2HG2 VAL 106 2HG2 VAL 106 -3.205 3.634 -5.160 805 3HG2 VAL 106 3HG2 VAL 106 -3.871 5.189 -4.663 806 H LEU 107 H LEU 107 -4.520 3.493 -2.548 807 HA LEU 107 HA LEU 107 -6.217 5.503 -1.288 808 1HB LEU 107 1HB LEU 107 -3.864 3.940 -0.220 809 2HB LEU 107 2HB LEU 107 -4.819 5.076 0.714 810 HG LEU 107 HG LEU 107 -5.876 2.530 -0.519 811 1HD1 LEU 107 1HD1 LEU 107 -4.342 2.073 1.313 812 2HD1 LEU 107 2HD1 LEU 107 -6.005 1.724 1.789 813 3HD1 LEU 107 3HD1 LEU 107 -5.219 3.201 2.347 814 1HD2 LEU 107 1HD2 LEU 107 -7.878 2.992 0.814 815 2HD2 LEU 107 2HD2 LEU 107 -7.574 4.271 -0.360 816 3HD2 LEU 107 3HD2 LEU 107 -7.175 4.521 1.339 817 H ASN 108 H ASN 108 -5.786 7.563 -1.645 818 HA ASN 108 HA ASN 108 -2.975 8.376 -1.992 819 1HB ASN 108 1HB ASN 108 -4.374 8.570 -4.066 820 2HB ASN 108 2HB ASN 108 -5.400 9.717 -3.211 821 1HD2 ASN 108 1HD2 ASN 108 -2.310 9.180 -4.680 822 2HD2 ASN 108 2HD2 ASN 108 -1.790 10.828 -4.683 823 H GLY 109 H GLY 109 -2.511 9.049 0.040 824 1HA GLY 109 1HA GLY 109 -3.117 11.577 0.909 825 2HA GLY 109 2HA GLY 109 -4.333 10.547 1.653 826 H ILE 110 H ILE 110 -1.930 12.113 2.677 827 HA ILE 110 HA ILE 110 -0.604 9.874 4.065 828 HB ILE 110 HB ILE 110 0.458 12.639 3.467 829 1HG1 ILE 110 1HG1 ILE 110 0.444 11.031 1.562 830 2HG1 ILE 110 2HG1 ILE 110 2.064 11.534 2.041 831 1HG2 ILE 110 1HG2 ILE 110 2.557 11.887 4.496 832 2HG2 ILE 110 2HG2 ILE 110 1.770 10.384 4.977 833 3HG2 ILE 110 3HG2 ILE 110 1.226 11.919 5.653 834 1HD1 ILE 110 1HD1 ILE 110 1.953 9.151 1.535 835 2HD1 ILE 110 2HD1 ILE 110 0.740 8.936 2.798 836 3HD1 ILE 110 3HD1 ILE 110 2.377 9.438 3.223 837 H HIS 111 H HIS 111 -2.097 13.053 4.441 838 HA HIS 111 HA HIS 111 -1.710 12.799 7.339 839 1HB HIS 111 1HB HIS 111 -2.022 15.284 5.667 840 2HB HIS 111 2HB HIS 111 -1.998 15.276 7.430 841 HD1 HIS 111 HD1 HIS 111 0.170 16.005 4.799 842 HD2 HIS 111 HD2 HIS 111 0.554 13.682 8.225 843 HE1 HIS 111 HE1 HIS 111 2.647 15.777 5.194 844 HE2 HIS 111 HE2 HIS 111 2.844 14.168 7.123 845 HA PRO 112 HA PRO 112 -6.282 14.325 6.979 846 1HB PRO 112 1HB PRO 112 -7.195 13.233 4.419 847 2HB PRO 112 2HB PRO 112 -7.450 14.839 5.100 848 1HG PRO 112 1HG PRO 112 -5.810 14.396 2.993 849 2HG PRO 112 2HG PRO 112 -5.529 15.686 4.178 850 1HD PRO 112 1HD PRO 112 -4.190 13.029 3.903 851 2HD PRO 112 2HD PRO 112 -3.505 14.596 4.380 852 H TRP 113 H TRP 113 -7.291 12.946 8.269 853 HA TRP 113 HA TRP 113 -6.712 10.111 7.860 854 1HB TRP 113 1HB TRP 113 -5.939 11.207 9.956 855 2HB TRP 113 2HB TRP 113 -7.617 11.516 10.379 856 HD1 TRP 113 HD1 TRP 113 -7.653 10.003 12.517 857 HE1 TRP 113 HE1 TRP 113 -7.543 7.453 12.894 858 HE3 TRP 113 HE3 TRP 113 -6.190 8.543 7.832 859 HZ2 TRP 113 HZ2 TRP 113 -6.949 5.142 11.389 860 HZ3 TRP 113 HZ3 TRP 113 -5.882 6.146 7.388 861 HH2 TRP 113 HH2 TRP 113 -6.258 4.486 9.131 862 H ALA 114 H ALA 114 -9.379 12.207 8.932 863 HA ALA 114 HA ALA 114 -11.377 10.254 8.972 864 1HB ALA 114 1HB ALA 114 -11.660 13.185 8.308 865 2HB ALA 114 2HB ALA 114 -11.680 12.485 9.926 866 3HB ALA 114 3HB ALA 114 -12.968 12.100 8.785 867 H GLU 115 H GLU 115 -10.088 12.181 6.333 868 HA GLU 115 HA GLU 115 -12.033 11.261 4.450 869 1HB GLU 115 1HB GLU 115 -9.423 12.716 4.021 870 2HB GLU 115 2HB GLU 115 -10.636 12.423 2.786 871 1HG GLU 115 1HG GLU 115 -12.242 13.647 4.382 872 2HG GLU 115 2HG GLU 115 -10.770 14.225 5.160 873 H LEU 116 H LEU 116 -8.704 10.355 5.297 874 HA LEU 116 HA LEU 116 -8.323 8.505 3.210 875 1HB LEU 116 1HB LEU 116 -6.736 9.418 5.139 876 2HB LEU 116 2HB LEU 116 -7.237 7.941 5.934 877 HG LEU 116 HG LEU 116 -5.076 7.729 4.746 878 1HD1 LEU 116 1HD1 LEU 116 -7.308 6.041 3.628 879 2HD1 LEU 116 2HD1 LEU 116 -6.390 5.732 5.101 880 3HD1 LEU 116 3HD1 LEU 116 -5.589 5.656 3.533 881 1HD2 LEU 116 1HD2 LEU 116 -5.476 9.254 2.912 882 2HD2 LEU 116 2HD2 LEU 116 -6.743 8.203 2.282 883 3HD2 LEU 116 3HD2 LEU 116 -5.066 7.657 2.290 884 H ILE 117 H ILE 117 -9.661 8.102 6.487 885 HA ILE 117 HA ILE 117 -10.266 5.362 6.301 886 HB ILE 117 HB ILE 117 -11.779 7.462 7.872 887 1HG1 ILE 117 1HG1 ILE 117 -9.495 5.678 8.751 888 2HG1 ILE 117 2HG1 ILE 117 -9.350 7.399 8.395 889 1HG2 ILE 117 1HG2 ILE 117 -12.972 5.322 7.581 890 2HG2 ILE 117 2HG2 ILE 117 -12.528 5.630 9.260 891 3HG2 ILE 117 3HG2 ILE 117 -11.595 4.481 8.300 892 1HD1 ILE 117 1HD1 ILE 117 -9.477 6.988 10.785 893 2HD1 ILE 117 2HD1 ILE 117 -11.033 6.182 10.576 894 3HD1 ILE 117 3HD1 ILE 117 -10.877 7.904 10.225 895 H ASN 118 H ASN 118 -12.145 8.243 5.486 896 HA ASN 118 HA ASN 118 -14.613 7.200 4.884 897 1HB ASN 118 1HB ASN 118 -14.022 9.606 4.790 898 2HB ASN 118 2HB ASN 118 -13.140 9.318 3.303 899 1HD2 ASN 118 1HD2 ASN 118 -14.384 10.643 2.046 900 2HD2 ASN 118 2HD2 ASN 118 -16.025 10.279 1.623 901 H LEU 119 H LEU 119 -11.983 7.710 2.589 902 HA LEU 119 HA LEU 119 -13.187 6.534 0.377 903 1HB LEU 119 1HB LEU 119 -10.246 6.669 1.046 904 2HB LEU 119 2HB LEU 119 -10.913 6.354 -0.544 905 HG LEU 119 HG LEU 119 -11.243 8.919 1.014 906 1HD1 LEU 119 1HD1 LEU 119 -8.970 8.601 0.195 907 2HD1 LEU 119 2HD1 LEU 119 -9.794 9.884 -0.696 908 3HD1 LEU 119 3HD1 LEU 119 -9.590 8.291 -1.426 909 1HD2 LEU 119 1HD2 LEU 119 -12.105 8.199 -1.784 910 2HD2 LEU 119 2HD2 LEU 119 -12.238 9.791 -1.037 911 3HD2 LEU 119 3HD2 LEU 119 -13.174 8.436 -0.401 912 H MET 120 H MET 120 -10.949 5.041 2.711 913 HA MET 120 HA MET 120 -10.898 2.482 1.522 914 1HB MET 120 1HB MET 120 -9.307 3.297 3.259 915 2HB MET 120 2HB MET 120 -10.591 3.162 4.452 916 1HG MET 120 1HG MET 120 -9.143 1.251 4.597 917 2HG MET 120 2HG MET 120 -10.726 0.751 4.006 918 1HE MET 120 1HE MET 120 -8.271 -1.697 2.185 919 2HE MET 120 2HE MET 120 -9.681 -1.560 3.230 920 3HE MET 120 3HE MET 120 -8.099 -1.046 3.815 921 H ARG 121 H ARG 121 -12.982 3.889 3.990 922 HA ARG 121 HA ARG 121 -14.423 1.533 4.585 923 1HB ARG 121 1HB ARG 121 -14.296 3.602 6.002 924 2HB ARG 121 2HB ARG 121 -15.386 4.380 4.866 925 1HG ARG 121 1HG ARG 121 -17.131 2.822 5.389 926 2HG ARG 121 2HG ARG 121 -16.039 1.881 6.406 927 1HD ARG 121 1HD ARG 121 -15.762 3.874 7.859 928 2HD ARG 121 2HD ARG 121 -16.970 4.709 6.885 929 HE ARG 121 HE ARG 121 -18.324 2.536 7.609 930 1HH1 ARG 121 1HH1 ARG 121 -16.315 4.692 9.509 931 2HH1 ARG 121 2HH1 ARG 121 -17.187 4.413 10.984 932 1HH2 ARG 121 1HH2 ARG 121 -19.484 2.183 9.520 933 2HH2 ARG 121 2HH2 ARG 121 -19.016 2.997 10.984 934 H GLY 122 H GLY 122 -14.874 4.103 2.220 935 1HA GLY 122 1HA GLY 122 -17.442 3.250 1.327 936 2HA GLY 122 2HA GLY 122 -16.335 4.295 0.446 937 H LEU 123 H LEU 123 -14.183 2.307 0.519 938 HA LEU 123 HA LEU 123 -14.920 0.847 -1.837 939 1HB LEU 123 1HB LEU 123 -12.397 0.836 -0.185 940 2HB LEU 123 2HB LEU 123 -12.590 -0.033 -1.695 941 HG LEU 123 HG LEU 123 -12.750 2.966 -1.384 942 1HD1 LEU 123 1HD1 LEU 123 -10.614 2.976 -2.596 943 2HD1 LEU 123 2HD1 LEU 123 -10.570 1.215 -2.514 944 3HD1 LEU 123 3HD1 LEU 123 -10.488 2.170 -1.032 945 1HD2 LEU 123 1HD2 LEU 123 -12.697 2.980 -3.841 946 2HD2 LEU 123 2HD2 LEU 123 -14.138 2.182 -3.208 947 3HD2 LEU 123 3HD2 LEU 123 -12.802 1.218 -3.841 948 H VAL 124 H VAL 124 -14.015 -0.052 1.494 949 HA VAL 124 HA VAL 124 -14.437 -2.846 0.967 950 HB VAL 124 HB VAL 124 -14.072 -3.205 3.369 951 1HG1 VAL 124 1HG1 VAL 124 -12.072 -1.338 2.097 952 2HG1 VAL 124 2HG1 VAL 124 -12.171 -3.082 1.851 953 3HG1 VAL 124 3HG1 VAL 124 -11.752 -2.437 3.438 954 1HG2 VAL 124 1HG2 VAL 124 -13.885 -0.195 3.516 955 2HG2 VAL 124 2HG2 VAL 124 -13.461 -1.311 4.815 956 3HG2 VAL 124 3HG2 VAL 124 -15.129 -1.202 4.253 957 H GLU 125 H GLU 125 -16.347 -0.274 2.429 958 HA GLU 125 HA GLU 125 -18.598 -2.170 2.583 959 1HB GLU 125 1HB GLU 125 -17.849 -1.156 4.777 960 2HB GLU 125 2HB GLU 125 -18.316 0.413 4.137 961 1HG GLU 125 1HG GLU 125 -20.056 -0.438 5.556 962 2HG GLU 125 2HG GLU 125 -20.621 -0.394 3.886 963 HA PRO 126 HA PRO 126 -19.324 0.805 -0.740 964 1HB PRO 126 1HB PRO 126 -20.142 -0.953 -2.608 965 2HB PRO 126 2HB PRO 126 -18.446 -0.769 -2.159 966 1HG PRO 126 1HG PRO 126 -20.335 -2.946 -1.527 967 2HG PRO 126 2HG PRO 126 -18.567 -2.984 -1.630 968 1HD PRO 126 1HD PRO 126 -20.181 -2.812 0.719 969 2HD PRO 126 2HD PRO 126 -18.413 -2.768 0.611 970 H GLN 127 H GLN 127 -21.051 1.864 -1.537 971 HA GLN 127 HA GLN 127 -23.734 1.024 -0.799 972 1HB GLN 127 1HB GLN 127 -22.606 3.488 -2.135 973 2HB GLN 127 2HB GLN 127 -24.306 3.239 -1.831 974 1HG GLN 127 1HG GLN 127 -23.964 3.260 0.537 975 2HG GLN 127 2HG GLN 127 -22.214 3.284 0.319 976 1HE2 GLN 127 1HE2 GLN 127 -23.983 5.160 1.716 977 2HE2 GLN 127 2HE2 GLN 127 -23.688 6.707 0.994 978 H GLN 128 H GLN 128 -21.625 0.337 -3.074 979 HA GLN 128 HA GLN 128 -21.600 -0.686 -5.039 980 1HB GLN 128 1HB GLN 128 -23.603 -1.909 -4.377 981 2HB GLN 128 2HB GLN 128 -24.611 -0.576 -4.947 982 1HG GLN 128 1HG GLN 128 -23.664 -0.868 -7.185 983 2HG GLN 128 2HG GLN 128 -22.766 -2.262 -6.609 984 1HE2 GLN 128 1HE2 GLN 128 -23.765 -3.598 -8.094 985 2HE2 GLN 128 2HE2 GLN 128 -25.405 -4.131 -7.896 986 H GLU 129 H GLU 129 -20.603 0.761 -6.222 987 HA GLU 129 HA GLU 129 -22.286 2.272 -8.076 988 1HB GLU 129 1HB GLU 129 -19.754 3.280 -6.759 989 2HB GLU 129 2HB GLU 129 -20.515 4.052 -8.141 990 1HG GLU 129 1HG GLU 129 -22.579 4.303 -6.733 991 2HG GLU 129 2HG GLU 129 -21.609 3.770 -5.360 992 H ARG 130 H ARG 130 -20.542 3.078 -9.912 993 HA ARG 130 HA ARG 130 -19.777 0.593 -11.121 994 1HB ARG 130 1HB ARG 130 -20.706 2.595 -12.345 995 2HB ARG 130 2HB ARG 130 -19.153 3.381 -12.094 996 1HG ARG 130 1HG ARG 130 -18.050 1.596 -13.358 997 2HG ARG 130 2HG ARG 130 -19.618 0.827 -13.620 998 1HD ARG 130 1HD ARG 130 -20.383 2.906 -14.744 999 2HD ARG 130 2HD ARG 130 -18.748 3.546 -14.586 1000 HE ARG 130 HE ARG 130 -18.946 0.988 -15.930 1001 1HH1 ARG 130 1HH1 ARG 130 -18.776 4.472 -16.238 1002 2HH1 ARG 130 2HH1 ARG 130 -18.363 4.431 -17.932 1003 1HH2 ARG 130 1HH2 ARG 130 -18.416 0.930 -18.165 1004 2HH2 ARG 130 2HH2 ARG 130 -18.167 2.425 -19.016 1005 H ALA 131 H ALA 131 -17.974 -0.437 -10.623 1006 HA ALA 131 HA ALA 131 -15.773 0.852 -9.321 1007 1HB ALA 131 1HB ALA 131 -16.009 -1.958 -10.395 1008 2HB ALA 131 2HB ALA 131 -16.423 -1.434 -8.761 1009 3HB ALA 131 3HB ALA 131 -14.749 -1.363 -9.311 1010 H SER 132 H SER 132 -13.618 0.985 -10.085 1011 HA SER 132 HA SER 132 -13.461 1.680 -12.875 1012 1HB SER 132 1HB SER 132 -12.354 3.039 -11.131 1013 2HB SER 132 2HB SER 132 -11.298 1.680 -10.750 1014 HG SER 132 HG SER 132 -11.411 3.208 -13.135 Start of MODEL 17 1 1H MET 1 1H MET 1 21.766 5.901 -7.415 2 HA MET 1 HA MET 1 22.310 7.843 -5.425 3 1HB MET 1 1HB MET 1 20.152 5.866 -4.642 4 2HB MET 1 2HB MET 1 21.018 6.905 -3.518 5 1HG MET 1 1HG MET 1 20.106 8.875 -4.605 6 2HG MET 1 2HG MET 1 19.281 7.860 -5.784 7 1HE MET 1 1HE MET 1 17.802 10.112 -4.032 8 2HE MET 1 2HE MET 1 16.322 9.243 -3.626 9 3HE MET 1 3HE MET 1 17.009 9.103 -5.244 10 H SER 2 H SER 2 24.018 7.171 -4.230 11 HA SER 2 HA SER 2 24.826 4.370 -4.620 12 1HB SER 2 1HB SER 2 27.151 5.337 -4.069 13 2HB SER 2 2HB SER 2 26.444 5.733 -5.637 14 HG SER 2 HG SER 2 26.211 7.402 -3.342 15 H ASN 3 H ASN 3 25.346 3.086 -2.972 16 HA ASN 3 HA ASN 3 25.600 2.250 -0.896 17 1HB ASN 3 1HB ASN 3 26.353 5.093 -0.296 18 2HB ASN 3 2HB ASN 3 26.285 3.871 0.971 19 1HD2 ASN 3 1HD2 ASN 3 28.403 3.733 1.442 20 2HD2 ASN 3 2HD2 ASN 3 29.617 3.191 0.326 21 H ASP 4 H ASP 4 24.839 2.526 1.461 22 HA ASP 4 HA ASP 4 21.964 2.881 1.261 23 1HB ASP 4 1HB ASP 4 21.855 1.681 3.389 24 2HB ASP 4 2HB ASP 4 22.806 0.796 2.207 25 H THR 5 H THR 5 21.145 4.759 1.714 26 HA THR 5 HA THR 5 21.555 5.860 4.328 27 HB THR 5 HB THR 5 22.238 7.591 1.948 28 HG1 THR 5 HG1 THR 5 23.759 6.046 3.373 29 1HG2 THR 5 1HG2 THR 5 20.900 8.847 3.565 30 2HG2 THR 5 2HG2 THR 5 22.576 9.394 3.588 31 3HG2 THR 5 3HG2 THR 5 21.975 8.334 4.864 32 HA PRO 6 HA PRO 6 17.816 8.137 2.570 33 1HB PRO 6 1HB PRO 6 17.166 8.076 -0.055 34 2HB PRO 6 2HB PRO 6 18.309 9.239 0.621 35 1HG PRO 6 1HG PRO 6 18.836 6.733 -0.908 36 2HG PRO 6 2HG PRO 6 19.681 8.289 -0.974 37 1HD PRO 6 1HD PRO 6 20.593 6.081 0.391 38 2HD PRO 6 2HD PRO 6 21.037 7.755 0.767 39 H PHE 7 H PHE 7 17.771 5.644 0.018 40 HA PHE 7 HA PHE 7 15.161 4.801 0.563 41 1HB PHE 7 1HB PHE 7 15.650 2.887 -0.897 42 2HB PHE 7 2HB PHE 7 16.250 4.387 -1.589 43 HD1 PHE 7 HD1 PHE 7 18.682 4.863 -1.581 44 HD2 PHE 7 HD2 PHE 7 17.104 1.102 -0.358 45 HE1 PHE 7 HE1 PHE 7 20.906 3.846 -1.846 46 HE2 PHE 7 HE2 PHE 7 19.325 0.080 -0.623 47 HZ PHE 7 HZ PHE 7 21.230 1.452 -1.366 48 H ASP 8 H ASP 8 18.236 3.789 1.840 49 HA ASP 8 HA ASP 8 17.517 1.350 3.022 50 1HB ASP 8 1HB ASP 8 19.839 2.297 2.749 51 2HB ASP 8 2HB ASP 8 19.499 3.359 4.101 52 H ALA 9 H ALA 9 17.764 4.587 4.426 53 HA ALA 9 HA ALA 9 16.797 3.928 6.975 54 1HB ALA 9 1HB ALA 9 16.602 6.594 5.575 55 2HB ALA 9 2HB ALA 9 17.996 6.013 6.487 56 3HB ALA 9 3HB ALA 9 16.467 6.313 7.310 57 H LEU 10 H LEU 10 15.117 4.993 4.065 58 HA LEU 10 HA LEU 10 12.568 5.346 5.171 59 1HB LEU 10 1HB LEU 10 13.753 5.587 2.685 60 2HB LEU 10 2HB LEU 10 12.597 4.295 2.455 61 HG LEU 10 HG LEU 10 11.672 6.481 1.849 62 1HD1 LEU 10 1HD1 LEU 10 10.396 5.231 4.272 63 2HD1 LEU 10 2HD1 LEU 10 10.164 4.735 2.597 64 3HD1 LEU 10 3HD1 LEU 10 9.591 6.314 3.136 65 1HD2 LEU 10 1HD2 LEU 10 12.903 7.880 3.398 66 2HD2 LEU 10 2HD2 LEU 10 12.064 7.139 4.763 67 3HD2 LEU 10 3HD2 LEU 10 11.167 8.122 3.601 68 H TRP 11 H TRP 11 13.929 2.561 3.407 69 HA TRP 11 HA TRP 11 11.616 0.969 3.731 70 1HB TRP 11 1HB TRP 11 13.722 0.724 2.125 71 2HB TRP 11 2HB TRP 11 14.253 -0.373 3.396 72 HD1 TRP 11 HD1 TRP 11 10.538 -0.292 2.887 73 HE1 TRP 11 HE1 TRP 11 9.754 -2.433 1.700 74 HE3 TRP 11 HE3 TRP 11 15.093 -2.198 1.547 75 HZ2 TRP 11 HZ2 TRP 11 10.900 -4.638 0.386 76 HZ3 TRP 11 HZ3 TRP 11 15.155 -4.340 0.327 77 HH2 TRP 11 HH2 TRP 11 13.092 -5.534 -0.240 78 H GLN 12 H GLN 12 14.583 1.258 5.623 79 HA GLN 12 HA GLN 12 14.201 -0.855 7.384 80 1HB GLN 12 1HB GLN 12 15.576 1.777 7.545 81 2HB GLN 12 2HB GLN 12 15.359 0.867 9.027 82 1HG GLN 12 1HG GLN 12 16.676 -0.201 6.545 83 2HG GLN 12 2HG GLN 12 17.535 0.467 7.933 84 1HE2 GLN 12 1HE2 GLN 12 15.714 -0.637 9.889 85 2HE2 GLN 12 2HE2 GLN 12 16.024 -2.345 9.948 86 H ARG 13 H ARG 13 12.830 2.416 7.484 87 HA ARG 13 HA ARG 13 11.437 2.111 9.912 88 1HB ARG 13 1HB ARG 13 10.904 3.859 7.511 89 2HB ARG 13 2HB ARG 13 9.930 3.926 8.974 90 1HG ARG 13 1HG ARG 13 12.891 4.446 8.803 91 2HG ARG 13 2HG ARG 13 11.628 5.670 8.956 92 1HD ARG 13 1HD ARG 13 11.007 4.850 11.119 93 2HD ARG 13 2HD ARG 13 12.070 3.456 10.951 94 HE ARG 13 HE ARG 13 13.500 5.926 10.752 95 1HH1 ARG 13 1HH1 ARG 13 12.032 3.698 13.032 96 2HH1 ARG 13 2HH1 ARG 13 13.133 4.087 14.320 97 1HH2 ARG 13 1HH2 ARG 13 14.935 6.457 12.441 98 2HH2 ARG 13 2HH2 ARG 13 14.789 5.665 13.979 99 H MET 14 H MET 14 10.354 1.681 6.567 100 HA MET 14 HA MET 14 7.777 0.765 7.043 101 1HB MET 14 1HB MET 14 9.696 -0.030 4.846 102 2HB MET 14 2HB MET 14 7.963 -0.313 4.817 103 1HG MET 14 1HG MET 14 7.522 2.052 4.785 104 2HG MET 14 2HG MET 14 9.237 2.409 4.984 105 1HE MET 14 1HE MET 14 6.476 0.970 2.603 106 2HE MET 14 2HE MET 14 7.612 -0.376 2.702 107 3HE MET 14 3HE MET 14 7.423 0.505 1.188 108 H LEU 15 H LEU 15 10.826 -1.017 7.034 109 HA LEU 15 HA LEU 15 9.641 -3.593 7.368 110 1HB LEU 15 1HB LEU 15 12.382 -2.464 7.424 111 2HB LEU 15 2HB LEU 15 12.140 -3.969 8.286 112 HG LEU 15 HG LEU 15 12.969 -4.283 5.974 113 1HD1 LEU 15 1HD1 LEU 15 10.194 -5.356 6.465 114 2HD1 LEU 15 2HD1 LEU 15 11.694 -6.052 7.078 115 3HD1 LEU 15 3HD1 LEU 15 11.382 -6.023 5.343 116 1HD2 LEU 15 1HD2 LEU 15 11.471 -3.912 4.095 117 2HD2 LEU 15 2HD2 LEU 15 11.855 -2.400 4.918 118 3HD2 LEU 15 3HD2 LEU 15 10.291 -3.170 5.177 119 H ALA 16 H ALA 16 10.969 -1.167 9.560 120 HA ALA 16 HA ALA 16 10.871 -2.669 11.931 121 1HB ALA 16 1HB ALA 16 10.960 -0.543 13.096 122 2HB ALA 16 2HB ALA 16 10.503 0.309 11.621 123 3HB ALA 16 3HB ALA 16 12.054 -0.525 11.712 124 H ARG 17 H ARG 17 8.393 -0.980 10.151 125 HA ARG 17 HA ARG 17 6.357 -0.977 12.090 126 1HB ARG 17 1HB ARG 17 6.280 -1.061 9.080 127 2HB ARG 17 2HB ARG 17 4.830 -0.938 10.060 128 1HG ARG 17 1HG ARG 17 7.112 1.015 10.158 129 2HG ARG 17 2HG ARG 17 5.667 1.216 9.162 130 1HD ARG 17 1HD ARG 17 5.722 0.943 12.163 131 2HD ARG 17 2HD ARG 17 5.495 2.435 11.263 132 HE ARG 17 HE ARG 17 3.502 0.913 10.313 133 1HH1 ARG 17 1HH1 ARG 17 4.523 1.623 13.587 134 2HH1 ARG 17 2HH1 ARG 17 2.945 1.386 14.270 135 1HH2 ARG 17 1HH2 ARG 17 1.417 0.633 11.201 136 2HH2 ARG 17 2HH2 ARG 17 1.165 0.844 12.907 137 H GLY 18 H GLY 18 7.762 -3.544 10.279 138 1HA GLY 18 1HA GLY 18 7.423 -5.817 10.797 139 2HA GLY 18 2HA GLY 18 5.878 -5.400 11.522 140 H TRP 19 H TRP 19 6.914 -4.357 8.344 141 HA TRP 19 HA TRP 19 4.618 -5.775 7.220 142 1HB TRP 19 1HB TRP 19 6.276 -3.519 6.063 143 2HB TRP 19 2HB TRP 19 4.866 -4.244 5.297 144 HD1 TRP 19 HD1 TRP 19 3.350 -4.309 8.331 145 HE1 TRP 19 HE1 TRP 19 2.215 -2.118 9.059 146 HE3 TRP 19 HE3 TRP 19 5.761 -1.065 5.193 147 HZ2 TRP 19 HZ2 TRP 19 2.319 0.620 8.382 148 HZ3 TRP 19 HZ3 TRP 19 5.181 1.323 5.298 149 HH2 TRP 19 HH2 TRP 19 3.494 2.148 6.859 150 H THR 20 H THR 20 4.821 -7.300 5.706 151 HA THR 20 HA THR 20 7.449 -8.466 5.392 152 HB THR 20 HB THR 20 6.007 -10.247 4.145 153 HG1 THR 20 HG1 THR 20 4.159 -8.654 4.193 154 1HG2 THR 20 1HG2 THR 20 7.027 -10.556 6.357 155 2HG2 THR 20 2HG2 THR 20 5.426 -11.290 6.275 156 3HG2 THR 20 3HG2 THR 20 5.649 -9.748 7.103 157 HA PRO 21 HA PRO 21 7.992 -6.847 1.320 158 1HB PRO 21 1HB PRO 21 10.262 -8.534 0.891 159 2HB PRO 21 2HB PRO 21 10.240 -6.849 1.403 160 1HG PRO 21 1HG PRO 21 11.063 -8.966 2.982 161 2HG PRO 21 2HG PRO 21 10.541 -7.388 3.592 162 1HD PRO 21 1HD PRO 21 9.015 -9.953 3.412 163 2HD PRO 21 2HD PRO 21 8.996 -8.711 4.686 164 H VAL 22 H VAL 22 7.463 -7.312 -0.733 165 HA VAL 22 HA VAL 22 7.045 -10.133 -1.472 166 HB VAL 22 HB VAL 22 4.888 -9.025 -1.068 167 1HG1 VAL 22 1HG1 VAL 22 5.701 -7.131 -3.267 168 2HG1 VAL 22 2HG1 VAL 22 5.538 -6.730 -1.560 169 3HG1 VAL 22 3HG1 VAL 22 4.117 -7.201 -2.494 170 1HG2 VAL 22 1HG2 VAL 22 5.396 -9.597 -3.988 171 2HG2 VAL 22 2HG2 VAL 22 3.812 -9.538 -3.213 172 3HG2 VAL 22 3HG2 VAL 22 4.977 -10.780 -2.751 173 H SER 23 H SER 23 7.463 -10.698 -3.617 174 HA SER 23 HA SER 23 9.015 -8.720 -5.140 175 1HB SER 23 1HB SER 23 9.296 -11.735 -5.123 176 2HB SER 23 2HB SER 23 10.275 -10.614 -6.069 177 HG SER 23 HG SER 23 10.734 -9.642 -3.889 178 H GLU 24 H GLU 24 9.080 -9.294 -7.550 179 HA GLU 24 HA GLU 24 6.366 -9.181 -8.450 180 1HB GLU 24 1HB GLU 24 7.968 -9.395 -10.722 181 2HB GLU 24 2HB GLU 24 7.356 -7.919 -9.996 182 1HG GLU 24 1HG GLU 24 9.657 -7.595 -10.292 183 2HG GLU 24 2HG GLU 24 9.434 -7.887 -8.575 184 H SER 25 H SER 25 8.976 -11.538 -8.618 185 HA SER 25 HA SER 25 7.423 -13.407 -10.172 186 1HB SER 25 1HB SER 25 9.940 -13.271 -10.170 187 2HB SER 25 2HB SER 25 9.915 -13.970 -8.554 188 HG SER 25 HG SER 25 8.638 -15.716 -9.593 189 H ARG 26 H ARG 26 6.955 -12.323 -7.224 190 HA ARG 26 HA ARG 26 6.046 -14.899 -6.122 191 1HB ARG 26 1HB ARG 26 7.817 -13.897 -4.772 192 2HB ARG 26 2HB ARG 26 6.835 -12.444 -4.587 193 1HG ARG 26 1HG ARG 26 5.350 -13.458 -3.181 194 2HG ARG 26 2HG ARG 26 5.667 -15.068 -3.829 195 1HD ARG 26 1HD ARG 26 7.654 -15.278 -2.659 196 2HD ARG 26 2HD ARG 26 7.750 -13.548 -2.363 197 HE ARG 26 HE ARG 26 5.607 -15.160 -1.148 198 1HH1 ARG 26 1HH1 ARG 26 8.410 -13.093 -0.775 199 2HH1 ARG 26 2HH1 ARG 26 8.139 -12.806 0.911 200 1HH2 ARG 26 1HH2 ARG 26 5.241 -14.782 1.077 201 2HH2 ARG 26 2HH2 ARG 26 6.327 -13.755 1.968 202 H LEU 27 H LEU 27 5.208 -11.900 -7.354 203 HA LEU 27 HA LEU 27 3.018 -11.003 -5.980 204 1HB LEU 27 1HB LEU 27 4.175 -10.106 -8.106 205 2HB LEU 27 2HB LEU 27 3.078 -11.148 -8.986 206 HG LEU 27 HG LEU 27 2.143 -8.964 -7.114 207 1HD1 LEU 27 1HD1 LEU 27 2.445 -8.902 -10.114 208 2HD1 LEU 27 2HD1 LEU 27 3.444 -8.018 -8.961 209 3HD1 LEU 27 3HD1 LEU 27 1.729 -7.638 -9.114 210 1HD2 LEU 27 1HD2 LEU 27 0.023 -9.210 -8.313 211 2HD2 LEU 27 2HD2 LEU 27 0.493 -10.724 -7.540 212 3HD2 LEU 27 3HD2 LEU 27 0.715 -10.515 -9.277 213 H ASP 28 H ASP 28 3.113 -13.521 -8.473 214 HA ASP 28 HA ASP 28 0.303 -14.009 -8.430 215 1HB ASP 28 1HB ASP 28 1.450 -14.699 -10.397 216 2HB ASP 28 2HB ASP 28 2.623 -15.634 -9.473 217 H ASP 29 H ASP 29 3.046 -15.748 -7.048 218 HA ASP 29 HA ASP 29 1.727 -17.916 -5.926 219 1HB ASP 29 1HB ASP 29 4.237 -17.456 -6.111 220 2HB ASP 29 2HB ASP 29 4.074 -16.506 -4.651 221 H TRP 30 H TRP 30 2.684 -14.899 -4.343 222 HA TRP 30 HA TRP 30 1.409 -15.566 -1.892 223 1HB TRP 30 1HB TRP 30 3.328 -13.857 -2.358 224 2HB TRP 30 2HB TRP 30 2.008 -12.725 -2.634 225 HD1 TRP 30 HD1 TRP 30 0.772 -14.942 -0.043 226 HE1 TRP 30 HE1 TRP 30 1.121 -13.962 2.314 227 HE3 TRP 30 HE3 TRP 30 4.119 -11.257 -1.198 228 HZ2 TRP 30 HZ2 TRP 30 2.622 -11.902 3.514 229 HZ3 TRP 30 HZ3 TRP 30 4.966 -9.826 0.616 230 HH2 TRP 30 HH2 TRP 30 4.231 -10.144 2.920 231 H LEU 31 H LEU 31 0.335 -13.789 -4.746 232 HA LEU 31 HA LEU 31 -2.080 -12.795 -3.617 233 1HB LEU 31 1HB LEU 31 -1.038 -12.056 -5.804 234 2HB LEU 31 2HB LEU 31 -1.619 -13.553 -6.504 235 HG LEU 31 HG LEU 31 -3.940 -12.875 -6.004 236 1HD1 LEU 31 1HD1 LEU 31 -4.408 -10.584 -5.308 237 2HD1 LEU 31 2HD1 LEU 31 -2.680 -10.274 -5.135 238 3HD1 LEU 31 3HD1 LEU 31 -3.479 -11.442 -4.078 239 1HD2 LEU 31 1HD2 LEU 31 -2.987 -12.406 -8.194 240 2HD2 LEU 31 2HD2 LEU 31 -2.335 -10.878 -7.601 241 3HD2 LEU 31 3HD2 LEU 31 -4.082 -11.109 -7.706 242 H THR 32 H THR 32 -1.078 -15.827 -4.939 243 HA THR 32 HA THR 32 -3.637 -17.046 -5.131 244 HB THR 32 HB THR 32 -0.892 -18.276 -4.840 245 HG1 THR 32 HG1 THR 32 -1.216 -16.928 -6.708 246 1HG2 THR 32 1HG2 THR 32 -1.861 -20.283 -5.825 247 2HG2 THR 32 2HG2 THR 32 -3.456 -19.528 -5.824 248 3HG2 THR 32 3HG2 THR 32 -2.650 -19.889 -4.296 249 H GLN 33 H GLN 33 -1.297 -16.605 -2.572 250 HA GLN 33 HA GLN 33 -2.628 -18.340 -0.706 251 1HB GLN 33 1HB GLN 33 -0.467 -16.259 -0.385 252 2HB GLN 33 2HB GLN 33 -1.093 -17.210 0.948 253 1HG GLN 33 1HG GLN 33 0.227 -18.341 -1.505 254 2HG GLN 33 2HG GLN 33 1.024 -18.077 0.045 255 1HE2 GLN 33 1HE2 GLN 33 -1.184 -20.036 -1.744 256 2HE2 GLN 33 2HE2 GLN 33 -1.347 -21.299 -0.571 257 H ALA 34 H ALA 34 -2.106 -14.821 -0.810 258 HA ALA 34 HA ALA 34 -4.496 -14.458 0.879 259 1HB ALA 34 1HB ALA 34 -2.142 -12.621 0.465 260 2HB ALA 34 2HB ALA 34 -2.398 -13.673 1.858 261 3HB ALA 34 3HB ALA 34 -3.510 -12.339 1.542 262 HA PRO 35 HA PRO 35 -6.027 -12.504 -2.880 263 1HB PRO 35 1HB PRO 35 -8.639 -12.733 -2.323 264 2HB PRO 35 2HB PRO 35 -7.672 -14.120 -2.833 265 1HG PRO 35 1HG PRO 35 -8.655 -13.385 -0.123 266 2HG PRO 35 2HG PRO 35 -8.436 -14.987 -0.847 267 1HD PRO 35 1HD PRO 35 -6.674 -13.720 0.927 268 2HD PRO 35 2HD PRO 35 -6.309 -15.139 -0.073 269 H ASP 36 H ASP 36 -6.417 -11.555 0.410 270 HA ASP 36 HA ASP 36 -7.292 -8.874 -0.451 271 1HB ASP 36 1HB ASP 36 -7.956 -10.246 2.168 272 2HB ASP 36 2HB ASP 36 -8.380 -8.591 1.749 273 H GLY 37 H GLY 37 -6.542 -7.114 0.948 274 1HA GLY 37 1HA GLY 37 -4.923 -6.820 2.936 275 2HA GLY 37 2HA GLY 37 -3.816 -7.669 1.867 276 H VAL 38 H VAL 38 -2.558 -5.663 2.205 277 HA VAL 38 HA VAL 38 -3.232 -3.724 0.108 278 HB VAL 38 HB VAL 38 -2.363 -1.860 1.553 279 1HG1 VAL 38 1HG1 VAL 38 -4.841 -3.256 2.556 280 2HG1 VAL 38 2HG1 VAL 38 -4.757 -2.143 1.190 281 3HG1 VAL 38 3HG1 VAL 38 -4.436 -1.562 2.825 282 1HG2 VAL 38 1HG2 VAL 38 -2.368 -2.171 3.984 283 2HG2 VAL 38 2HG2 VAL 38 -1.163 -3.194 3.207 284 3HG2 VAL 38 3HG2 VAL 38 -2.686 -3.890 3.764 285 H VAL 39 H VAL 39 -1.507 -3.082 -1.090 286 HA VAL 39 HA VAL 39 1.133 -4.073 -0.226 287 HB VAL 39 HB VAL 39 0.100 -3.803 -3.059 288 1HG1 VAL 39 1HG1 VAL 39 2.767 -4.792 -2.047 289 2HG1 VAL 39 2HG1 VAL 39 2.478 -3.286 -2.914 290 3HG1 VAL 39 3HG1 VAL 39 2.222 -4.831 -3.726 291 1HG2 VAL 39 1HG2 VAL 39 -0.868 -5.710 -1.911 292 2HG2 VAL 39 2HG2 VAL 39 0.735 -6.250 -1.415 293 3HG2 VAL 39 3HG2 VAL 39 0.294 -6.253 -3.123 294 H LEU 40 H LEU 40 2.516 -2.537 0.211 295 HA LEU 40 HA LEU 40 2.039 0.151 -0.863 296 1HB LEU 40 1HB LEU 40 3.606 -0.791 1.535 297 2HB LEU 40 2HB LEU 40 3.671 0.853 0.938 298 HG LEU 40 HG LEU 40 1.141 0.919 1.285 299 1HD1 LEU 40 1HD1 LEU 40 0.228 -0.616 2.938 300 2HD1 LEU 40 2HD1 LEU 40 1.751 -1.504 2.974 301 3HD1 LEU 40 3HD1 LEU 40 0.774 -1.489 1.505 302 1HD2 LEU 40 1HD2 LEU 40 2.714 2.098 2.707 303 2HD2 LEU 40 2HD2 LEU 40 2.970 0.638 3.662 304 3HD2 LEU 40 3HD2 LEU 40 1.393 1.429 3.666 305 H LEU 41 H LEU 41 3.268 0.847 -2.433 306 HA LEU 41 HA LEU 41 5.762 -0.545 -3.065 307 1HB LEU 41 1HB LEU 41 4.085 1.474 -4.555 308 2HB LEU 41 2HB LEU 41 5.667 0.975 -5.113 309 HG LEU 41 HG LEU 41 4.802 -1.380 -5.242 310 1HD1 LEU 41 1HD1 LEU 41 2.112 -0.070 -4.851 311 2HD1 LEU 41 2HD1 LEU 41 2.912 -1.124 -3.686 312 3HD1 LEU 41 3HD1 LEU 41 2.412 -1.762 -5.251 313 1HD2 LEU 41 1HD2 LEU 41 4.987 0.023 -7.211 314 2HD2 LEU 41 2HD2 LEU 41 3.391 0.703 -6.900 315 3HD2 LEU 41 3HD2 LEU 41 3.557 -1.003 -7.318 316 H SER 42 H SER 42 5.256 1.418 -0.836 317 HA SER 42 HA SER 42 6.449 2.955 0.327 318 1HB SER 42 1HB SER 42 8.509 2.086 -0.832 319 2HB SER 42 2HB SER 42 8.254 3.306 -2.081 320 HG SER 42 HG SER 42 9.354 3.568 0.377 321 H SER 43 H SER 43 6.991 5.388 0.156 322 HA SER 43 HA SER 43 4.592 6.558 -0.938 323 1HB SER 43 1HB SER 43 6.809 7.947 0.578 324 2HB SER 43 2HB SER 43 5.132 8.464 0.410 325 HG SER 43 HG SER 43 5.813 7.332 2.435 326 H ASP 44 H ASP 44 7.965 6.478 -1.717 327 HA ASP 44 HA ASP 44 9.215 7.282 -3.423 328 1HB ASP 44 1HB ASP 44 7.405 6.555 -4.901 329 2HB ASP 44 2HB ASP 44 6.565 8.082 -4.645 330 HA PRO 45 HA PRO 45 10.007 11.370 -1.985 331 1HB PRO 45 1HB PRO 45 11.918 12.054 -3.837 332 2HB PRO 45 2HB PRO 45 12.219 11.049 -2.414 333 1HG PRO 45 1HG PRO 45 11.725 10.227 -5.248 334 2HG PRO 45 2HG PRO 45 12.894 9.581 -4.080 335 1HD PRO 45 1HD PRO 45 10.586 8.315 -4.633 336 2HD PRO 45 2HD PRO 45 11.294 8.302 -3.005 337 H LYS 46 H LYS 46 9.029 10.759 -5.289 338 HA LYS 46 HA LYS 46 8.590 13.618 -5.757 339 1HB LYS 46 1HB LYS 46 9.684 12.019 -7.465 340 2HB LYS 46 2HB LYS 46 8.057 11.413 -7.728 341 1HG LYS 46 1HG LYS 46 8.629 13.073 -9.396 342 2HG LYS 46 2HG LYS 46 7.320 13.662 -8.367 343 1HD LYS 46 1HD LYS 46 8.956 14.933 -7.043 344 2HD LYS 46 2HD LYS 46 10.241 14.373 -8.112 345 1HE LYS 46 1HE LYS 46 9.219 15.509 -9.987 346 2HE LYS 46 2HE LYS 46 7.853 15.991 -8.983 347 1HZ LYS 46 1HZ LYS 46 9.385 17.811 -9.201 348 2HZ LYS 46 2HZ LYS 46 10.674 16.856 -8.652 349 3HZ LYS 46 3HZ LYS 46 9.411 17.258 -7.596 350 H ARG 47 H ARG 47 6.889 10.531 -5.657 351 HA ARG 47 HA ARG 47 4.301 11.568 -6.164 352 1HB ARG 47 1HB ARG 47 4.838 9.203 -6.437 353 2HB ARG 47 2HB ARG 47 5.150 9.054 -4.718 354 1HG ARG 47 1HG ARG 47 3.004 8.113 -5.263 355 2HG ARG 47 2HG ARG 47 2.801 9.542 -4.251 356 1HD ARG 47 1HD ARG 47 2.667 9.758 -7.229 357 2HD ARG 47 2HD ARG 47 1.274 9.201 -6.311 358 HE ARG 47 HE ARG 47 2.067 11.526 -5.080 359 1HH1 ARG 47 1HH1 ARG 47 1.167 10.644 -8.348 360 2HH1 ARG 47 2HH1 ARG 47 0.375 12.155 -8.671 361 1HH2 ARG 47 1HH2 ARG 47 1.050 13.521 -5.508 362 2HH2 ARG 47 2HH2 ARG 47 0.335 13.804 -7.070 363 H THR 48 H THR 48 6.103 10.976 -3.180 364 HA THR 48 HA THR 48 4.075 12.568 -1.757 365 HB THR 48 HB THR 48 5.661 10.307 -0.530 366 HG1 THR 48 HG1 THR 48 4.251 9.312 -1.907 367 1HG2 THR 48 1HG2 THR 48 4.914 12.000 1.058 368 2HG2 THR 48 2HG2 THR 48 3.998 10.510 1.279 369 3HG2 THR 48 3HG2 THR 48 3.266 11.879 0.441 370 HA PRO 49 HA PRO 49 7.671 15.208 -1.251 371 1HB PRO 49 1HB PRO 49 6.367 16.921 0.491 372 2HB PRO 49 2HB PRO 49 6.342 17.054 -1.268 373 1HG PRO 49 1HG PRO 49 4.319 15.850 0.575 374 2HG PRO 49 2HG PRO 49 4.069 16.831 -0.883 375 1HD PRO 49 1HD PRO 49 3.745 14.178 -0.920 376 2HD PRO 49 2HD PRO 49 4.446 15.042 -2.305 377 H GLU 50 H GLU 50 5.663 14.076 1.441 378 HA GLU 50 HA GLU 50 8.074 14.026 3.115 379 1HB GLU 50 1HB GLU 50 5.188 14.039 4.038 380 2HB GLU 50 2HB GLU 50 6.619 14.121 5.061 381 1HG GLU 50 1HG GLU 50 7.217 16.261 3.941 382 2HG GLU 50 2HG GLU 50 5.672 16.196 3.096 383 H VAL 51 H VAL 51 8.683 12.140 2.104 384 HA VAL 51 HA VAL 51 7.153 9.877 1.623 385 HB VAL 51 HB VAL 51 10.096 9.785 2.266 386 1HG1 VAL 51 1HG1 VAL 51 9.022 7.634 1.916 387 2HG1 VAL 51 2HG1 VAL 51 10.132 8.002 0.596 388 3HG1 VAL 51 3HG1 VAL 51 8.391 8.184 0.364 389 1HG2 VAL 51 1HG2 VAL 51 9.793 11.648 0.773 390 2HG2 VAL 51 2HG2 VAL 51 8.783 10.676 -0.295 391 3HG2 VAL 51 3HG2 VAL 51 10.496 10.299 -0.118 392 H SER 52 H SER 52 8.760 10.876 4.576 393 HA SER 52 HA SER 52 8.541 8.260 5.777 394 1HB SER 52 1HB SER 52 10.460 9.748 6.286 395 2HB SER 52 2HB SER 52 9.341 10.884 7.037 396 HG SER 52 HG SER 52 8.744 9.036 8.431 397 H ASP 53 H ASP 53 7.397 11.441 6.842 398 HA ASP 53 HA ASP 53 5.652 12.074 8.166 399 1HB ASP 53 1HB ASP 53 4.618 11.467 5.898 400 2HB ASP 53 2HB ASP 53 4.098 9.973 6.657 401 H ASN 54 H ASN 54 3.386 10.147 8.817 402 HA ASN 54 HA ASN 54 4.806 8.281 10.603 403 1HB ASN 54 1HB ASN 54 2.435 10.015 11.343 404 2HB ASN 54 2HB ASN 54 3.033 8.685 12.329 405 1HD2 ASN 54 1HD2 ASN 54 4.992 8.909 13.425 406 2HD2 ASN 54 2HD2 ASN 54 5.749 10.453 13.633 407 HA PRO 55 HA PRO 55 1.908 5.935 8.027 408 1HB PRO 55 1HB PRO 55 3.313 3.649 7.982 409 2HB PRO 55 2HB PRO 55 3.793 5.059 7.028 410 1HG PRO 55 1HG PRO 55 4.866 4.098 9.655 411 2HG PRO 55 2HG PRO 55 5.750 4.689 8.239 412 1HD PRO 55 1HD PRO 55 5.212 6.226 10.428 413 2HD PRO 55 2HD PRO 55 5.418 6.888 8.794 414 H VAL 56 H VAL 56 2.077 6.034 11.176 415 HA VAL 56 HA VAL 56 1.400 3.387 12.005 416 HB VAL 56 HB VAL 56 0.979 6.001 13.469 417 1HG1 VAL 56 1HG1 VAL 56 1.065 3.164 14.489 418 2HG1 VAL 56 2HG1 VAL 56 -0.355 4.208 14.415 419 3HG1 VAL 56 3HG1 VAL 56 0.982 4.612 15.494 420 1HG2 VAL 56 1HG2 VAL 56 3.291 4.068 13.556 421 2HG2 VAL 56 2HG2 VAL 56 3.088 5.474 14.601 422 3HG2 VAL 56 3HG2 VAL 56 3.311 5.692 12.866 423 H MET 57 H MET 57 -0.420 6.162 10.893 424 HA MET 57 HA MET 57 -2.902 5.502 12.063 425 1HB MET 57 1HB MET 57 -3.869 7.187 10.727 426 2HB MET 57 2HB MET 57 -2.247 7.742 11.093 427 1HG MET 57 1HG MET 57 -3.164 6.514 8.504 428 2HG MET 57 2HG MET 57 -2.854 8.220 8.798 429 1HE MET 57 1HE MET 57 -1.213 8.524 6.827 430 2HE MET 57 2HE MET 57 -1.533 6.863 6.326 431 3HE MET 57 3HE MET 57 0.127 7.432 6.472 432 H ILE 58 H ILE 58 -1.323 4.386 9.174 433 HA ILE 58 HA ILE 58 -3.501 3.270 7.815 434 HB ILE 58 HB ILE 58 -0.643 2.281 7.962 435 1HG1 ILE 58 1HG1 ILE 58 -0.841 4.563 7.105 436 2HG1 ILE 58 2HG1 ILE 58 -0.368 3.456 5.820 437 1HG2 ILE 58 1HG2 ILE 58 -2.116 0.501 7.199 438 2HG2 ILE 58 2HG2 ILE 58 -1.119 1.091 5.870 439 3HG2 ILE 58 3HG2 ILE 58 -2.809 1.577 5.985 440 1HD1 ILE 58 1HD1 ILE 58 -2.652 3.440 4.980 441 2HD1 ILE 58 2HD1 ILE 58 -2.014 5.081 5.058 442 3HD1 ILE 58 3HD1 ILE 58 -3.146 4.516 6.287 443 H GLY 59 H GLY 59 -1.425 1.956 10.370 444 1HA GLY 59 1HA GLY 59 -2.570 -0.633 10.380 445 2HA GLY 59 2HA GLY 59 -1.612 0.077 11.673 446 H GLU 60 H GLU 60 -3.287 2.324 12.160 447 HA GLU 60 HA GLU 60 -5.088 1.114 13.979 448 1HB GLU 60 1HB GLU 60 -4.882 4.009 13.152 449 2HB GLU 60 2HB GLU 60 -5.673 3.391 14.595 450 1HG GLU 60 1HG GLU 60 -2.735 3.279 13.963 451 2HG GLU 60 2HG GLU 60 -3.523 4.277 15.182 452 H LEU 61 H LEU 61 -5.434 2.478 10.793 453 HA LEU 61 HA LEU 61 -8.249 2.669 10.710 454 1HB LEU 61 1HB LEU 61 -6.804 3.707 9.050 455 2HB LEU 61 2HB LEU 61 -6.234 2.133 8.529 456 HG LEU 61 HG LEU 61 -8.491 1.597 7.698 457 1HD1 LEU 61 1HD1 LEU 61 -9.136 4.434 8.484 458 2HD1 LEU 61 2HD1 LEU 61 -9.805 2.972 9.207 459 3HD1 LEU 61 3HD1 LEU 61 -10.170 3.370 7.529 460 1HD2 LEU 61 1HD2 LEU 61 -6.836 2.551 6.198 461 2HD2 LEU 61 2HD2 LEU 61 -7.330 4.181 6.662 462 3HD2 LEU 61 3HD2 LEU 61 -8.450 3.134 5.789 463 H LEU 62 H LEU 62 -6.023 0.106 9.733 464 HA LEU 62 HA LEU 62 -7.923 -1.765 8.887 465 1HB LEU 62 1HB LEU 62 -5.077 -1.898 9.745 466 2HB LEU 62 2HB LEU 62 -5.968 -3.401 9.619 467 HG LEU 62 HG LEU 62 -6.410 -2.992 7.263 468 1HD1 LEU 62 1HD1 LEU 62 -6.587 -0.572 7.278 469 2HD1 LEU 62 2HD1 LEU 62 -5.393 -1.098 6.090 470 3HD1 LEU 62 3HD1 LEU 62 -4.866 -0.431 7.635 471 1HD2 LEU 62 1HD2 LEU 62 -4.120 -3.149 6.420 472 2HD2 LEU 62 2HD2 LEU 62 -4.349 -4.137 7.863 473 3HD2 LEU 62 3HD2 LEU 62 -3.508 -2.591 7.976 474 H ARG 63 H ARG 63 -6.945 -0.843 12.057 475 HA ARG 63 HA ARG 63 -7.416 -3.149 13.538 476 1HB ARG 63 1HB ARG 63 -7.853 -0.278 14.360 477 2HB ARG 63 2HB ARG 63 -7.801 -1.641 15.467 478 1HG ARG 63 1HG ARG 63 -5.531 -0.776 13.692 479 2HG ARG 63 2HG ARG 63 -5.711 -0.348 15.394 480 1HD ARG 63 1HD ARG 63 -5.707 -2.781 15.930 481 2HD ARG 63 2HD ARG 63 -5.352 -3.109 14.234 482 HE ARG 63 HE ARG 63 -3.534 -1.288 15.573 483 1HH1 ARG 63 1HH1 ARG 63 -4.180 -4.588 14.581 484 2HH1 ARG 63 2HH1 ARG 63 -2.519 -5.091 14.743 485 1HH2 ARG 63 1HH2 ARG 63 -1.361 -1.937 15.776 486 2HH2 ARG 63 2HH2 ARG 63 -0.919 -3.589 15.435 487 H GLU 64 H GLU 64 -9.779 -1.251 11.886 488 HA GLU 64 HA GLU 64 -11.891 -1.906 13.745 489 1HB GLU 64 1HB GLU 64 -13.409 -0.810 12.256 490 2HB GLU 64 2HB GLU 64 -11.962 0.174 12.393 491 1HG GLU 64 1HG GLU 64 -11.249 -0.372 10.236 492 2HG GLU 64 2HG GLU 64 -12.356 -1.742 10.126 493 H PHE 65 H PHE 65 -10.284 -3.584 11.336 494 HA PHE 65 HA PHE 65 -12.361 -5.664 11.466 495 1HB PHE 65 1HB PHE 65 -10.739 -4.908 9.025 496 2HB PHE 65 2HB PHE 65 -11.676 -6.387 9.158 497 HD1 PHE 65 HD1 PHE 65 -14.215 -6.049 9.733 498 HD2 PHE 65 HD2 PHE 65 -11.690 -3.059 8.062 499 HE1 PHE 65 HE1 PHE 65 -16.191 -4.880 8.845 500 HE2 PHE 65 HE2 PHE 65 -13.660 -1.886 7.171 501 HZ PHE 65 HZ PHE 65 -15.915 -2.799 7.563 502 HA PRO 66 HA PRO 66 -8.076 -7.066 12.631 503 1HB PRO 66 1HB PRO 66 -8.354 -7.453 15.264 504 2HB PRO 66 2HB PRO 66 -8.093 -5.841 14.590 505 1HG PRO 66 1HG PRO 66 -10.589 -7.082 15.624 506 2HG PRO 66 2HG PRO 66 -10.060 -5.394 15.692 507 1HD PRO 66 1HD PRO 66 -11.879 -6.502 13.859 508 2HD PRO 66 2HD PRO 66 -11.105 -4.911 13.739 509 H ASP 67 H ASP 67 -11.080 -8.470 12.521 510 HA ASP 67 HA ASP 67 -10.103 -11.081 13.427 511 1HB ASP 67 1HB ASP 67 -12.354 -10.240 14.188 512 2HB ASP 67 2HB ASP 67 -12.897 -10.376 12.517 513 H TYR 68 H TYR 68 -10.449 -9.220 10.679 514 HA TYR 68 HA TYR 68 -10.374 -11.566 8.911 515 1HB TYR 68 1HB TYR 68 -12.182 -9.777 8.564 516 2HB TYR 68 2HB TYR 68 -10.879 -8.710 8.055 517 HD1 TYR 68 HD1 TYR 68 -12.126 -12.162 7.335 518 HD2 TYR 68 HD2 TYR 68 -10.493 -8.554 5.780 519 HE1 TYR 68 HE1 TYR 68 -12.330 -13.061 5.055 520 HE2 TYR 68 HE2 TYR 68 -10.683 -9.446 3.493 521 HH TYR 68 HH TYR 68 -10.893 -11.511 2.311 522 H THR 69 H THR 69 -8.450 -12.040 8.118 523 HA THR 69 HA THR 69 -6.168 -10.627 8.957 524 HB THR 69 HB THR 69 -4.904 -12.210 7.510 525 HG1 THR 69 HG1 THR 69 -6.608 -12.394 5.897 526 1HG2 THR 69 1HG2 THR 69 -7.044 -13.408 9.275 527 2HG2 THR 69 2HG2 THR 69 -5.452 -12.843 9.787 528 3HG2 THR 69 3HG2 THR 69 -5.592 -14.249 8.731 529 H TRP 70 H TRP 70 -5.664 -8.688 8.218 530 HA TRP 70 HA TRP 70 -5.822 -8.052 5.379 531 1HB TRP 70 1HB TRP 70 -5.032 -6.450 7.813 532 2HB TRP 70 2HB TRP 70 -4.827 -5.840 6.179 533 HD1 TRP 70 HD1 TRP 70 -7.510 -6.571 8.788 534 HE1 TRP 70 HE1 TRP 70 -9.693 -5.425 8.060 535 HE3 TRP 70 HE3 TRP 70 -6.113 -5.082 4.105 536 HZ2 TRP 70 HZ2 TRP 70 -10.696 -4.065 5.786 537 HZ3 TRP 70 HZ3 TRP 70 -7.737 -3.867 2.717 538 HH2 TRP 70 HH2 TRP 70 -9.983 -3.370 3.542 539 H GLN 71 H GLN 71 -4.164 -8.616 4.082 540 HA GLN 71 HA GLN 71 -1.584 -9.183 5.307 541 1HB GLN 71 1HB GLN 71 -2.911 -9.906 2.788 542 2HB GLN 71 2HB GLN 71 -1.196 -9.567 2.629 543 1HG GLN 71 1HG GLN 71 -1.339 -11.867 2.974 544 2HG GLN 71 2HG GLN 71 -0.836 -11.205 4.523 545 1HE2 GLN 71 1HE2 GLN 71 -2.162 -13.715 3.828 546 2HE2 GLN 71 2HE2 GLN 71 -3.624 -13.761 4.744 547 H VAL 72 H VAL 72 -0.388 -7.462 5.712 548 HA VAL 72 HA VAL 72 -0.347 -5.232 3.838 549 HB VAL 72 HB VAL 72 1.154 -5.460 6.454 550 1HG1 VAL 72 1HG1 VAL 72 2.033 -3.766 4.956 551 2HG1 VAL 72 2HG1 VAL 72 1.202 -3.004 6.313 552 3HG1 VAL 72 3HG1 VAL 72 0.417 -3.094 4.737 553 1HG2 VAL 72 1HG2 VAL 72 -0.659 -4.098 7.423 554 2HG2 VAL 72 2HG2 VAL 72 -1.230 -5.682 6.892 555 3HG2 VAL 72 3HG2 VAL 72 -1.559 -4.253 5.914 556 H ALA 73 H ALA 73 0.927 -5.568 2.139 557 HA ALA 73 HA ALA 73 3.552 -6.836 2.595 558 1HB ALA 73 1HB ALA 73 1.863 -6.835 0.095 559 2HB ALA 73 2HB ALA 73 2.090 -8.193 1.197 560 3HB ALA 73 3HB ALA 73 3.454 -7.578 0.259 561 H ILE 74 H ILE 74 5.344 -5.845 1.878 562 HA ILE 74 HA ILE 74 5.002 -3.347 0.353 563 HB ILE 74 HB ILE 74 7.086 -2.527 1.438 564 1HG1 ILE 74 1HG1 ILE 74 6.665 -4.894 3.280 565 2HG1 ILE 74 2HG1 ILE 74 7.998 -4.698 2.141 566 1HG2 ILE 74 1HG2 ILE 74 6.016 -1.944 3.592 567 2HG2 ILE 74 2HG2 ILE 74 4.757 -3.135 3.260 568 3HG2 ILE 74 3HG2 ILE 74 4.944 -1.732 2.210 569 1HD1 ILE 74 1HD1 ILE 74 8.684 -4.187 4.410 570 2HD1 ILE 74 2HD1 ILE 74 7.429 -2.952 4.529 571 3HD1 ILE 74 3HD1 ILE 74 8.763 -2.749 3.393 572 H ALA 75 H ALA 75 6.383 -3.035 -1.372 573 HA ALA 75 HA ALA 75 7.766 -5.478 -2.197 574 1HB ALA 75 1HB ALA 75 7.695 -4.563 -4.448 575 2HB ALA 75 2HB ALA 75 7.001 -3.064 -3.829 576 3HB ALA 75 3HB ALA 75 6.089 -4.570 -3.720 577 H ASP 76 H ASP 76 9.813 -5.311 -3.333 578 HA ASP 76 HA ASP 76 11.775 -3.814 -1.953 579 1HB ASP 76 1HB ASP 76 12.015 -6.007 -3.275 580 2HB ASP 76 2HB ASP 76 12.126 -4.997 -4.705 581 H LEU 77 H LEU 77 13.415 -2.470 -3.357 582 HA LEU 77 HA LEU 77 12.032 -0.060 -3.933 583 1HB LEU 77 1HB LEU 77 14.439 -0.424 -3.087 584 2HB LEU 77 2HB LEU 77 14.858 -0.684 -4.765 585 HG LEU 77 HG LEU 77 13.622 1.868 -3.726 586 1HD1 LEU 77 1HD1 LEU 77 15.861 2.819 -3.872 587 2HD1 LEU 77 2HD1 LEU 77 16.512 1.239 -4.307 588 3HD1 LEU 77 3HD1 LEU 77 15.809 1.492 -2.709 589 1HD2 LEU 77 1HD2 LEU 77 15.006 1.237 -6.334 590 2HD2 LEU 77 2HD2 LEU 77 14.402 2.817 -5.841 591 3HD2 LEU 77 3HD2 LEU 77 13.274 1.490 -6.120 592 H GLU 78 H GLU 78 13.926 -2.220 -6.043 593 HA GLU 78 HA GLU 78 12.946 -0.909 -8.395 594 1HB GLU 78 1HB GLU 78 14.596 -3.397 -8.022 595 2HB GLU 78 2HB GLU 78 14.169 -2.733 -9.593 596 1HG GLU 78 1HG GLU 78 15.251 -0.574 -8.802 597 2HG GLU 78 2HG GLU 78 15.911 -1.523 -7.475 598 H GLN 79 H GLN 79 12.138 -3.798 -6.604 599 HA GLN 79 HA GLN 79 10.669 -5.046 -8.675 600 1HB GLN 79 1HB GLN 79 10.617 -5.442 -5.688 601 2HB GLN 79 2HB GLN 79 9.712 -6.444 -6.816 602 1HG GLN 79 1HG GLN 79 11.817 -7.081 -7.912 603 2HG GLN 79 2HG GLN 79 12.703 -6.118 -6.732 604 1HE2 GLN 79 1HE2 GLN 79 12.812 -8.981 -7.321 605 2HE2 GLN 79 2HE2 GLN 79 12.479 -9.778 -5.819 606 H SER 80 H SER 80 9.741 -2.753 -6.151 607 HA SER 80 HA SER 80 6.960 -3.023 -6.388 608 1HB SER 80 1HB SER 80 6.905 -0.663 -5.491 609 2HB SER 80 2HB SER 80 7.862 -1.793 -4.532 610 HG SER 80 HG SER 80 9.651 -0.776 -5.083 611 H GLU 81 H GLU 81 9.197 -0.818 -7.993 612 HA GLU 81 HA GLU 81 7.381 0.529 -9.619 613 1HB GLU 81 1HB GLU 81 9.851 1.026 -9.228 614 2HB GLU 81 2HB GLU 81 10.190 -0.213 -10.423 615 1HG GLU 81 1HG GLU 81 8.887 1.065 -12.079 616 2HG GLU 81 2HG GLU 81 8.658 2.336 -10.877 617 H ALA 82 H ALA 82 9.267 -2.401 -10.247 618 HA ALA 82 HA ALA 82 8.395 -2.880 -12.864 619 1HB ALA 82 1HB ALA 82 10.333 -3.981 -11.859 620 2HB ALA 82 2HB ALA 82 9.206 -5.150 -12.547 621 3HB ALA 82 3HB ALA 82 9.260 -4.899 -10.802 622 H ILE 83 H ILE 83 6.990 -3.814 -9.765 623 HA ILE 83 HA ILE 83 5.063 -5.604 -10.742 624 HB ILE 83 HB ILE 83 5.160 -3.929 -8.241 625 1HG1 ILE 83 1HG1 ILE 83 5.399 -6.909 -8.714 626 2HG1 ILE 83 2HG1 ILE 83 6.761 -5.813 -8.521 627 1HG2 ILE 83 1HG2 ILE 83 3.072 -5.983 -8.966 628 2HG2 ILE 83 2HG2 ILE 83 2.807 -4.248 -8.796 629 3HG2 ILE 83 3HG2 ILE 83 3.253 -5.212 -7.389 630 1HD1 ILE 83 1HD1 ILE 83 6.328 -7.018 -6.479 631 2HD1 ILE 83 2HD1 ILE 83 4.668 -6.424 -6.453 632 3HD1 ILE 83 3HD1 ILE 83 6.011 -5.299 -6.252 633 H GLY 84 H GLY 84 4.739 -2.125 -9.967 634 1HA GLY 84 1HA GLY 84 2.085 -1.922 -10.962 635 2HA GLY 84 2HA GLY 84 3.186 -0.575 -10.705 636 H ASP 85 H ASP 85 5.247 -1.384 -12.398 637 HA ASP 85 HA ASP 85 4.573 -0.355 -14.880 638 1HB ASP 85 1HB ASP 85 6.864 -0.522 -14.099 639 2HB ASP 85 2HB ASP 85 6.774 -2.276 -14.094 640 H ARG 86 H ARG 86 4.791 -3.716 -13.850 641 HA ARG 86 HA ARG 86 4.123 -4.841 -16.372 642 1HB ARG 86 1HB ARG 86 5.426 -6.052 -14.706 643 2HB ARG 86 2HB ARG 86 4.072 -6.014 -13.591 644 1HG ARG 86 1HG ARG 86 2.782 -7.439 -15.092 645 2HG ARG 86 2HG ARG 86 4.134 -7.468 -16.230 646 1HD ARG 86 1HD ARG 86 5.546 -8.503 -14.527 647 2HD ARG 86 2HD ARG 86 4.210 -8.462 -13.380 648 HE ARG 86 HE ARG 86 3.049 -9.991 -15.008 649 1HH1 ARG 86 1HH1 ARG 86 6.536 -9.813 -14.821 650 2HH1 ARG 86 2HH1 ARG 86 6.776 -11.464 -15.315 651 1HH2 ARG 86 1HH2 ARG 86 3.373 -12.187 -15.638 652 2HH2 ARG 86 2HH2 ARG 86 5.003 -12.794 -15.757 653 H PHE 87 H PHE 87 2.258 -3.736 -13.652 654 HA PHE 87 HA PHE 87 -0.080 -5.282 -14.401 655 1HB PHE 87 1HB PHE 87 0.644 -4.813 -12.009 656 2HB PHE 87 2HB PHE 87 0.099 -3.160 -12.260 657 HD1 PHE 87 HD1 PHE 87 -1.243 -6.575 -12.945 658 HD2 PHE 87 HD2 PHE 87 -1.941 -2.701 -11.324 659 HE1 PHE 87 HE1 PHE 87 -3.519 -7.257 -12.308 660 HE2 PHE 87 HE2 PHE 87 -4.220 -3.375 -10.682 661 HZ PHE 87 HZ PHE 87 -5.011 -5.655 -11.176 662 H GLY 88 H GLY 88 1.110 -2.007 -14.670 663 1HA GLY 88 1HA GLY 88 0.394 -0.552 -16.402 664 2HA GLY 88 2HA GLY 88 -1.137 -1.412 -16.457 665 H VAL 89 H VAL 89 0.216 -0.459 -13.409 666 HA VAL 89 HA VAL 89 -1.803 1.680 -13.215 667 HB VAL 89 HB VAL 89 -0.989 -0.280 -11.060 668 1HG1 VAL 89 1HG1 VAL 89 -2.886 2.063 -10.910 669 2HG1 VAL 89 2HG1 VAL 89 -1.323 1.934 -10.104 670 3HG1 VAL 89 3HG1 VAL 89 -2.642 0.859 -9.648 671 1HG2 VAL 89 1HG2 VAL 89 -2.547 -1.220 -12.674 672 2HG2 VAL 89 2HG2 VAL 89 -3.620 0.167 -12.471 673 3HG2 VAL 89 3HG2 VAL 89 -3.353 -0.947 -11.128 674 H PHE 90 H PHE 90 -0.762 3.531 -13.218 675 HA PHE 90 HA PHE 90 0.481 5.276 -12.501 676 1HB PHE 90 1HB PHE 90 0.843 3.400 -10.219 677 2HB PHE 90 2HB PHE 90 1.927 4.782 -10.328 678 HD1 PHE 90 HD1 PHE 90 -1.670 3.850 -10.229 679 HD2 PHE 90 HD2 PHE 90 1.257 6.874 -9.593 680 HE1 PHE 90 HE1 PHE 90 -3.378 5.278 -9.183 681 HE2 PHE 90 HE2 PHE 90 -0.445 8.308 -8.546 682 HZ PHE 90 HZ PHE 90 -2.766 7.511 -8.341 683 H ARG 91 H ARG 91 2.380 2.308 -12.024 684 HA ARG 91 HA ARG 91 4.508 1.740 -12.545 685 1HB ARG 91 1HB ARG 91 3.892 2.596 -14.844 686 2HB ARG 91 2HB ARG 91 4.591 4.143 -14.389 687 1HG ARG 91 1HG ARG 91 6.763 3.241 -14.271 688 2HG ARG 91 2HG ARG 91 6.161 1.583 -14.288 689 1HD ARG 91 1HD ARG 91 7.105 2.152 -16.445 690 2HD ARG 91 2HD ARG 91 5.365 1.906 -16.583 691 HE ARG 91 HE ARG 91 6.218 4.657 -16.228 692 1HH1 ARG 91 1HH1 ARG 91 5.375 2.104 -18.478 693 2HH1 ARG 91 2HH1 ARG 91 5.014 3.192 -19.783 694 1HH2 ARG 91 1HH2 ARG 91 5.759 6.089 -17.957 695 2HH2 ARG 91 2HH2 ARG 91 5.224 5.455 -19.481 696 H PHE 92 H PHE 92 3.562 3.936 -10.672 697 HA PHE 92 HA PHE 92 6.243 4.778 -9.817 698 1HB PHE 92 1HB PHE 92 3.685 6.398 -9.757 699 2HB PHE 92 2HB PHE 92 5.107 6.816 -8.813 700 HD1 PHE 92 HD1 PHE 92 3.480 7.047 -11.987 701 HD2 PHE 92 HD2 PHE 92 7.243 7.357 -10.034 702 HE1 PHE 92 HE1 PHE 92 4.357 8.339 -13.891 703 HE2 PHE 92 HE2 PHE 92 8.130 8.648 -11.929 704 HZ PHE 92 HZ PHE 92 6.686 9.140 -13.860 705 HA PRO 93 HA PRO 93 5.267 2.840 -5.934 706 1HB PRO 93 1HB PRO 93 6.396 5.306 -4.704 707 2HB PRO 93 2HB PRO 93 6.808 3.611 -4.416 708 1HG PRO 93 1HG PRO 93 8.420 5.141 -5.842 709 2HG PRO 93 2HG PRO 93 8.111 3.467 -6.336 710 1HD PRO 93 1HD PRO 93 6.995 6.011 -7.455 711 2HD PRO 93 2HD PRO 93 7.527 4.544 -8.305 712 H ALA 94 H ALA 94 3.494 2.752 -4.778 713 HA ALA 94 HA ALA 94 2.180 5.001 -3.627 714 1HB ALA 94 1HB ALA 94 0.067 4.828 -4.862 715 2HB ALA 94 2HB ALA 94 0.795 3.635 -5.941 716 3HB ALA 94 3HB ALA 94 1.397 5.292 -5.925 717 H THR 95 H THR 95 -0.232 4.071 -2.988 718 HA THR 95 HA THR 95 0.335 1.467 -1.743 719 HB THR 95 HB THR 95 -1.625 3.585 -0.830 720 HG1 THR 95 HG1 THR 95 0.261 4.436 -0.232 721 1HG2 THR 95 1HG2 THR 95 -0.667 1.052 0.514 722 2HG2 THR 95 2HG2 THR 95 -2.270 1.315 -0.170 723 3HG2 THR 95 3HG2 THR 95 -1.745 2.253 1.227 724 H LEU 96 H LEU 96 -0.677 -0.185 -2.658 725 HA LEU 96 HA LEU 96 -3.231 0.288 -4.050 726 1HB LEU 96 1HB LEU 96 -1.316 -2.039 -4.285 727 2HB LEU 96 2HB LEU 96 -2.780 -1.818 -5.222 728 HG LEU 96 HG LEU 96 -0.357 -0.020 -5.333 729 1HD1 LEU 96 1HD1 LEU 96 -0.042 -0.973 -7.570 730 2HD1 LEU 96 2HD1 LEU 96 -1.371 -2.091 -7.271 731 3HD1 LEU 96 3HD1 LEU 96 0.100 -2.191 -6.305 732 1HD2 LEU 96 1HD2 LEU 96 -2.467 1.157 -5.783 733 2HD2 LEU 96 2HD2 LEU 96 -2.856 -0.037 -7.022 734 3HD2 LEU 96 3HD2 LEU 96 -1.463 1.022 -7.227 735 H VAL 97 H VAL 97 -5.066 -0.771 -3.426 736 HA VAL 97 HA VAL 97 -4.782 -2.571 -1.111 737 HB VAL 97 HB VAL 97 -5.895 -0.503 -0.466 738 1HG1 VAL 97 1HG1 VAL 97 -6.784 0.158 -2.634 739 2HG1 VAL 97 2HG1 VAL 97 -8.050 0.152 -1.406 740 3HG1 VAL 97 3HG1 VAL 97 -7.946 -1.168 -2.570 741 1HG2 VAL 97 1HG2 VAL 97 -6.605 -2.547 0.640 742 2HG2 VAL 97 2HG2 VAL 97 -7.821 -2.821 -0.608 743 3HG2 VAL 97 3HG2 VAL 97 -7.962 -1.433 0.473 744 H PHE 98 H PHE 98 -5.719 -4.533 -1.161 745 HA PHE 98 HA PHE 98 -7.413 -5.204 -3.485 746 1HB PHE 98 1HB PHE 98 -5.507 -7.034 -2.011 747 2HB PHE 98 2HB PHE 98 -6.506 -7.479 -3.384 748 HD1 PHE 98 HD1 PHE 98 -5.803 -7.062 -5.596 749 HD2 PHE 98 HD2 PHE 98 -3.622 -5.417 -2.332 750 HE1 PHE 98 HE1 PHE 98 -3.988 -6.435 -7.132 751 HE2 PHE 98 HE2 PHE 98 -1.805 -4.784 -3.866 752 HZ PHE 98 HZ PHE 98 -1.986 -5.291 -6.268 753 H THR 99 H THR 99 -9.375 -6.053 -2.992 754 HA THR 99 HA THR 99 -9.975 -7.390 -0.570 755 HB THR 99 HB THR 99 -11.685 -5.231 -0.142 756 HG1 THR 99 HG1 THR 99 -9.005 -4.303 -0.402 757 1HG2 THR 99 1HG2 THR 99 -10.730 -6.699 1.569 758 2HG2 THR 99 2HG2 THR 99 -10.488 -5.002 1.972 759 3HG2 THR 99 3HG2 THR 99 -9.150 -5.953 1.331 760 H GLY 100 H GLY 100 -11.740 -8.536 -0.777 761 1HA GLY 100 1HA GLY 100 -13.819 -9.242 -1.445 762 2HA GLY 100 2HA GLY 100 -14.178 -7.564 -1.820 763 H GLY 101 H GLY 101 -11.474 -9.067 -3.354 764 1HA GLY 101 1HA GLY 101 -11.947 -10.375 -5.482 765 2HA GLY 101 2HA GLY 101 -13.009 -9.028 -5.871 766 H ASN 102 H ASN 102 -9.681 -9.357 -4.630 767 HA ASN 102 HA ASN 102 -7.685 -8.724 -5.439 768 1HB ASN 102 1HB ASN 102 -8.994 -9.681 -7.578 769 2HB ASN 102 2HB ASN 102 -8.713 -8.028 -8.109 770 1HD2 ASN 102 1HD2 ASN 102 -7.171 -10.864 -6.808 771 2HD2 ASN 102 2HD2 ASN 102 -5.619 -10.604 -7.540 772 H TYR 103 H TYR 103 -7.239 -6.780 -7.545 773 HA TYR 103 HA TYR 103 -6.694 -4.522 -6.179 774 1HB TYR 103 1HB TYR 103 -5.919 -4.902 -8.448 775 2HB TYR 103 2HB TYR 103 -7.555 -4.726 -9.070 776 HD1 TYR 103 HD1 TYR 103 -4.932 -2.832 -7.205 777 HD2 TYR 103 HD2 TYR 103 -8.272 -2.654 -9.838 778 HE1 TYR 103 HE1 TYR 103 -4.552 -0.424 -7.521 779 HE2 TYR 103 HE2 TYR 103 -7.899 -0.245 -10.158 780 HH TYR 103 HH TYR 103 -6.832 1.610 -9.095 781 H ARG 104 H ARG 104 -7.886 -3.287 -4.964 782 HA ARG 104 HA ARG 104 -10.718 -2.925 -5.614 783 1HB ARG 104 1HB ARG 104 -9.976 -3.825 -3.370 784 2HB ARG 104 2HB ARG 104 -9.294 -2.241 -3.042 785 1HG ARG 104 1HG ARG 104 -11.419 -2.398 -1.975 786 2HG ARG 104 2HG ARG 104 -11.556 -1.267 -3.320 787 1HD ARG 104 1HD ARG 104 -12.309 -4.169 -3.563 788 2HD ARG 104 2HD ARG 104 -13.447 -2.940 -3.018 789 HE ARG 104 HE ARG 104 -13.123 -1.848 -5.200 790 1HH1 ARG 104 1HH1 ARG 104 -12.207 -5.215 -4.873 791 2HH1 ARG 104 2HH1 ARG 104 -12.393 -5.558 -6.567 792 1HH2 ARG 104 1HH2 ARG 104 -13.387 -2.308 -7.422 793 2HH2 ARG 104 2HH2 ARG 104 -13.085 -3.916 -8.007 794 H GLY 105 H GLY 105 -7.718 -1.186 -5.133 795 1HA GLY 105 1HA GLY 105 -8.346 0.989 -6.687 796 2HA GLY 105 2HA GLY 105 -8.907 1.415 -5.077 797 H VAL 106 H VAL 106 -7.221 3.136 -5.646 798 HA VAL 106 HA VAL 106 -4.649 2.269 -4.537 799 HB VAL 106 HB VAL 106 -4.290 2.496 -6.922 800 1HG1 VAL 106 1HG1 VAL 106 -4.660 4.607 -8.099 801 2HG1 VAL 106 2HG1 VAL 106 -5.385 5.290 -6.645 802 3HG1 VAL 106 3HG1 VAL 106 -6.165 3.942 -7.471 803 1HG2 VAL 106 1HG2 VAL 106 -2.546 4.246 -6.938 804 2HG2 VAL 106 2HG2 VAL 106 -2.464 3.220 -5.505 805 3HG2 VAL 106 3HG2 VAL 106 -3.157 4.840 -5.393 806 H LEU 107 H LEU 107 -3.788 3.597 -3.042 807 HA LEU 107 HA LEU 107 -5.351 5.973 -2.312 808 1HB LEU 107 1HB LEU 107 -3.331 4.385 -0.719 809 2HB LEU 107 2HB LEU 107 -4.193 5.797 -0.132 810 HG LEU 107 HG LEU 107 -5.485 3.192 -0.950 811 1HD1 LEU 107 1HD1 LEU 107 -4.182 2.951 1.092 812 2HD1 LEU 107 2HD1 LEU 107 -5.913 2.894 1.435 813 3HD1 LEU 107 3HD1 LEU 107 -4.992 4.356 1.786 814 1HD2 LEU 107 1HD2 LEU 107 -6.941 5.113 -1.311 815 2HD2 LEU 107 2HD2 LEU 107 -6.646 5.660 0.339 816 3HD2 LEU 107 3HD2 LEU 107 -7.504 4.145 0.052 817 H ASN 108 H ASN 108 -4.577 7.883 -2.878 818 HA ASN 108 HA ASN 108 -1.673 8.290 -2.911 819 1HB ASN 108 1HB ASN 108 -1.862 9.661 -4.947 820 2HB ASN 108 2HB ASN 108 -2.354 7.999 -5.241 821 1HD2 ASN 108 1HD2 ASN 108 -2.995 10.483 -6.682 822 2HD2 ASN 108 2HD2 ASN 108 -4.722 10.557 -6.712 823 H GLY 109 H GLY 109 -0.979 10.269 -2.206 824 1HA GLY 109 1HA GLY 109 -1.149 12.466 -1.437 825 2HA GLY 109 2HA GLY 109 -2.889 12.391 -1.677 826 H ILE 110 H ILE 110 -1.938 13.557 0.580 827 HA ILE 110 HA ILE 110 -1.848 11.612 2.727 828 HB ILE 110 HB ILE 110 -1.944 14.631 2.857 829 1HG1 ILE 110 1HG1 ILE 110 0.065 13.818 1.714 830 2HG1 ILE 110 2HG1 ILE 110 0.479 14.472 3.294 831 1HG2 ILE 110 1HG2 ILE 110 -1.277 12.606 4.991 832 2HG2 ILE 110 2HG2 ILE 110 -2.738 13.591 4.915 833 3HG2 ILE 110 3HG2 ILE 110 -1.168 14.358 5.162 834 1HD1 ILE 110 1HD1 ILE 110 0.630 12.210 4.194 835 2HD1 ILE 110 2HD1 ILE 110 1.715 12.434 2.821 836 3HD1 ILE 110 3HD1 ILE 110 0.201 11.553 2.614 837 H HIS 111 H HIS 111 -3.842 14.532 2.328 838 HA HIS 111 HA HIS 111 -6.072 14.920 2.533 839 1HB HIS 111 1HB HIS 111 -6.230 11.907 2.438 840 2HB HIS 111 2HB HIS 111 -7.654 12.921 2.641 841 HD1 HIS 111 HD1 HIS 111 -5.311 11.633 0.089 842 HD2 HIS 111 HD2 HIS 111 -8.270 14.542 0.372 843 HE1 HIS 111 HE1 HIS 111 -5.874 12.263 -2.283 844 HE2 HIS 111 HE2 HIS 111 -7.632 14.069 -2.084 845 HA PRO 112 HA PRO 112 -6.877 14.868 6.926 846 1HB PRO 112 1HB PRO 112 -9.622 14.970 6.896 847 2HB PRO 112 2HB PRO 112 -8.581 16.379 6.670 848 1HG PRO 112 1HG PRO 112 -9.980 14.709 4.624 849 2HG PRO 112 2HG PRO 112 -9.780 16.470 4.690 850 1HD PRO 112 1HD PRO 112 -8.273 14.925 3.085 851 2HD PRO 112 2HD PRO 112 -7.622 16.380 3.864 852 H TRP 113 H TRP 113 -7.601 13.445 8.541 853 HA TRP 113 HA TRP 113 -7.441 10.741 7.922 854 1HB TRP 113 1HB TRP 113 -6.866 11.581 10.116 855 2HB TRP 113 2HB TRP 113 -8.526 12.091 10.394 856 HD1 TRP 113 HD1 TRP 113 -9.424 10.568 12.233 857 HE1 TRP 113 HE1 TRP 113 -9.506 8.034 12.656 858 HE3 TRP 113 HE3 TRP 113 -6.574 9.002 8.286 859 HZ2 TRP 113 HZ2 TRP 113 -8.495 5.678 11.465 860 HZ3 TRP 113 HZ3 TRP 113 -6.190 6.591 7.994 861 HH2 TRP 113 HH2 TRP 113 -7.136 4.966 9.548 862 H ALA 114 H ALA 114 -10.300 12.752 8.508 863 HA ALA 114 HA ALA 114 -12.228 10.732 8.511 864 1HB ALA 114 1HB ALA 114 -12.680 13.067 9.127 865 2HB ALA 114 2HB ALA 114 -13.836 12.457 7.943 866 3HB ALA 114 3HB ALA 114 -12.535 13.533 7.431 867 H GLU 115 H GLU 115 -10.721 12.426 5.801 868 HA GLU 115 HA GLU 115 -12.403 11.152 3.848 869 1HB GLU 115 1HB GLU 115 -10.032 12.992 3.664 870 2HB GLU 115 2HB GLU 115 -10.732 12.237 2.240 871 1HG GLU 115 1HG GLU 115 -12.140 14.071 4.166 872 2HG GLU 115 2HG GLU 115 -11.626 14.456 2.519 873 H LEU 116 H LEU 116 -9.276 10.577 5.273 874 HA LEU 116 HA LEU 116 -8.317 8.697 3.406 875 1HB LEU 116 1HB LEU 116 -7.198 9.811 5.510 876 2HB LEU 116 2HB LEU 116 -7.826 8.408 6.350 877 HG LEU 116 HG LEU 116 -5.448 8.189 5.675 878 1HD1 LEU 116 1HD1 LEU 116 -7.297 6.232 4.318 879 2HD1 LEU 116 2HD1 LEU 116 -6.807 6.189 6.011 880 3HD1 LEU 116 3HD1 LEU 116 -5.607 5.948 4.744 881 1HD2 LEU 116 1HD2 LEU 116 -4.908 7.821 3.315 882 2HD2 LEU 116 2HD2 LEU 116 -5.528 9.446 3.598 883 3HD2 LEU 116 3HD2 LEU 116 -6.569 8.222 2.877 884 H ILE 117 H ILE 117 -10.244 8.336 6.372 885 HA ILE 117 HA ILE 117 -10.758 5.570 6.109 886 HB ILE 117 HB ILE 117 -12.607 7.620 7.352 887 1HG1 ILE 117 1HG1 ILE 117 -10.369 6.072 8.675 888 2HG1 ILE 117 2HG1 ILE 117 -10.287 7.779 8.248 889 1HG2 ILE 117 1HG2 ILE 117 -12.256 4.667 7.855 890 2HG2 ILE 117 2HG2 ILE 117 -13.610 5.424 7.016 891 3HG2 ILE 117 3HG2 ILE 117 -13.352 5.736 8.733 892 1HD1 ILE 117 1HD1 ILE 117 -10.784 7.531 10.591 893 2HD1 ILE 117 2HD1 ILE 117 -12.176 6.518 10.217 894 3HD1 ILE 117 3HD1 ILE 117 -12.177 8.218 9.756 895 H ASN 118 H ASN 118 -12.407 8.450 4.940 896 HA ASN 118 HA ASN 118 -14.754 7.386 3.930 897 1HB ASN 118 1HB ASN 118 -13.927 9.843 4.036 898 2HB ASN 118 2HB ASN 118 -13.222 9.528 2.465 899 1HD2 ASN 118 1HD2 ASN 118 -15.113 11.469 2.908 900 2HD2 ASN 118 2HD2 ASN 118 -16.573 11.031 2.074 901 H LEU 119 H LEU 119 -11.703 7.932 2.203 902 HA LEU 119 HA LEU 119 -12.458 6.698 -0.204 903 1HB LEU 119 1HB LEU 119 -9.716 7.064 1.009 904 2HB LEU 119 2HB LEU 119 -10.013 6.581 -0.647 905 HG LEU 119 HG LEU 119 -10.861 9.215 0.553 906 1HD1 LEU 119 1HD1 LEU 119 -8.445 9.073 0.400 907 2HD1 LEU 119 2HD1 LEU 119 -9.070 10.165 -0.837 908 3HD1 LEU 119 3HD1 LEU 119 -8.562 8.533 -1.277 909 1HD2 LEU 119 1HD2 LEU 119 -12.309 8.465 -1.268 910 2HD2 LEU 119 2HD2 LEU 119 -10.899 8.217 -2.294 911 3HD2 LEU 119 3HD2 LEU 119 -11.326 9.843 -1.764 912 H MET 120 H MET 120 -10.613 5.421 2.549 913 HA MET 120 HA MET 120 -10.047 2.891 1.545 914 1HB MET 120 1HB MET 120 -9.134 3.840 3.648 915 2HB MET 120 2HB MET 120 -10.697 3.587 4.414 916 1HG MET 120 1HG MET 120 -9.171 1.820 5.012 917 2HG MET 120 2HG MET 120 -10.491 1.183 4.031 918 1HE MET 120 1HE MET 120 -7.714 -0.357 4.587 919 2HE MET 120 2HE MET 120 -7.443 -1.040 2.982 920 3HE MET 120 3HE MET 120 -9.067 -1.017 3.667 921 H ARG 121 H ARG 121 -12.859 3.887 3.506 922 HA ARG 121 HA ARG 121 -14.044 1.306 3.358 923 1HB ARG 121 1HB ARG 121 -14.505 2.998 5.155 924 2HB ARG 121 2HB ARG 121 -15.471 3.885 3.982 925 1HG ARG 121 1HG ARG 121 -17.028 2.120 3.778 926 2HG ARG 121 2HG ARG 121 -15.982 1.002 4.652 927 1HD ARG 121 1HD ARG 121 -16.240 2.498 6.655 928 2HD ARG 121 2HD ARG 121 -17.477 3.372 5.750 929 HE ARG 121 HE ARG 121 -18.670 1.171 5.605 930 1HH1 ARG 121 1HH1 ARG 121 -16.406 1.851 8.202 931 2HH1 ARG 121 2HH1 ARG 121 -17.115 0.708 9.294 932 1HH2 ARG 121 1HH2 ARG 121 -19.612 -0.331 7.063 933 2HH2 ARG 121 2HH2 ARG 121 -18.940 -0.534 8.651 934 H GLY 122 H GLY 122 -14.316 4.244 1.456 935 1HA GLY 122 1HA GLY 122 -16.567 3.544 -0.078 936 2HA GLY 122 2HA GLY 122 -15.269 4.604 -0.604 937 H LEU 123 H LEU 123 -13.220 2.567 -0.275 938 HA LEU 123 HA LEU 123 -13.575 1.206 -2.794 939 1HB LEU 123 1HB LEU 123 -11.284 1.209 -0.831 940 2HB LEU 123 2HB LEU 123 -11.258 0.417 -2.394 941 HG LEU 123 HG LEU 123 -11.563 3.390 -1.961 942 1HD1 LEU 123 1HD1 LEU 123 -9.338 2.575 -1.361 943 2HD1 LEU 123 2HD1 LEU 123 -9.299 3.554 -2.827 944 3HD1 LEU 123 3HD1 LEU 123 -9.198 1.797 -2.937 945 1HD2 LEU 123 1HD2 LEU 123 -12.674 2.608 -3.989 946 2HD2 LEU 123 2HD2 LEU 123 -11.197 1.789 -4.491 947 3HD2 LEU 123 3HD2 LEU 123 -11.235 3.548 -4.378 948 H VAL 124 H VAL 124 -12.752 0.148 0.534 949 HA VAL 124 HA VAL 124 -12.890 -2.601 -0.128 950 HB VAL 124 HB VAL 124 -12.748 -3.070 2.252 951 1HG1 VAL 124 1HG1 VAL 124 -11.002 -0.765 1.405 952 2HG1 VAL 124 2HG1 VAL 124 -10.715 -2.477 1.087 953 3HG1 VAL 124 3HG1 VAL 124 -10.668 -1.866 2.740 954 1HG2 VAL 124 1HG2 VAL 124 -12.744 -1.277 3.920 955 2HG2 VAL 124 2HG2 VAL 124 -14.298 -1.385 3.092 956 3HG2 VAL 124 3HG2 VAL 124 -13.159 -0.110 2.663 957 H GLU 125 H GLU 125 -15.321 -0.350 0.933 958 HA GLU 125 HA GLU 125 -17.297 -2.530 0.819 959 1HB GLU 125 1HB GLU 125 -17.079 -1.466 3.059 960 2HB GLU 125 2HB GLU 125 -17.492 0.081 2.340 961 1HG GLU 125 1HG GLU 125 -19.696 -0.733 1.770 962 2HG GLU 125 2HG GLU 125 -19.291 -2.333 2.391 963 HA PRO 126 HA PRO 126 -18.028 0.339 -2.656 964 1HB PRO 126 1HB PRO 126 -17.935 -1.434 -4.643 965 2HB PRO 126 2HB PRO 126 -16.463 -0.914 -3.817 966 1HG PRO 126 1HG PRO 126 -17.956 -3.474 -3.592 967 2HG PRO 126 2HG PRO 126 -16.220 -3.163 -3.427 968 1HD PRO 126 1HD PRO 126 -18.120 -3.440 -1.336 969 2HD PRO 126 2HD PRO 126 -16.423 -2.949 -1.184 970 H GLN 127 H GLN 127 -19.633 0.285 -4.503 971 HA GLN 127 HA GLN 127 -22.196 -0.721 -3.576 972 1HB GLN 127 1HB GLN 127 -21.426 1.083 -5.873 973 2HB GLN 127 2HB GLN 127 -23.056 0.690 -5.400 974 1HG GLN 127 1HG GLN 127 -21.051 2.210 -3.769 975 2HG GLN 127 2HG GLN 127 -22.451 2.884 -4.598 976 1HE2 GLN 127 1HE2 GLN 127 -21.304 1.177 -1.836 977 2HE2 GLN 127 2HE2 GLN 127 -22.792 1.181 -0.950 978 H GLN 128 H GLN 128 -19.745 -1.885 -5.235 979 HA GLN 128 HA GLN 128 -19.301 -3.394 -6.815 980 1HB GLN 128 1HB GLN 128 -22.176 -4.121 -6.309 981 2HB GLN 128 2HB GLN 128 -21.166 -4.992 -7.450 982 1HG GLN 128 1HG GLN 128 -19.550 -5.361 -5.543 983 2HG GLN 128 2HG GLN 128 -20.830 -4.771 -4.482 984 1HE2 GLN 128 1HE2 GLN 128 -19.811 -7.322 -6.608 985 2HE2 GLN 128 2HE2 GLN 128 -20.998 -8.479 -6.116 986 H GLU 129 H GLU 129 -19.843 -0.865 -7.538 987 HA GLU 129 HA GLU 129 -21.042 -1.161 -10.207 988 1HB GLU 129 1HB GLU 129 -20.510 1.303 -8.542 989 2HB GLU 129 2HB GLU 129 -20.965 1.370 -10.239 990 1HG GLU 129 1HG GLU 129 -22.590 0.232 -7.980 991 2HG GLU 129 2HG GLU 129 -22.895 1.735 -8.852 992 H ARG 130 H ARG 130 -19.841 -0.709 -11.998 993 HA ARG 130 HA ARG 130 -17.989 -0.745 -13.290 994 1HB ARG 130 1HB ARG 130 -17.047 1.060 -11.085 995 2HB ARG 130 2HB ARG 130 -15.950 0.564 -12.364 996 1HG ARG 130 1HG ARG 130 -17.465 1.527 -14.028 997 2HG ARG 130 2HG ARG 130 -18.540 2.051 -12.728 998 1HD ARG 130 1HD ARG 130 -16.940 3.556 -11.876 999 2HD ARG 130 2HD ARG 130 -15.643 2.833 -12.826 1000 HE ARG 130 HE ARG 130 -17.790 4.020 -14.363 1001 1HH1 ARG 130 1HH1 ARG 130 -14.660 4.465 -12.863 1002 2HH1 ARG 130 2HH1 ARG 130 -14.210 5.796 -13.882 1003 1HH2 ARG 130 1HH2 ARG 130 -17.195 5.801 -15.700 1004 2HH2 ARG 130 2HH2 ARG 130 -15.648 6.553 -15.485 1005 H ALA 131 H ALA 131 -17.885 -3.027 -12.941 1006 HA ALA 131 HA ALA 131 -16.247 -4.246 -11.006 1007 1HB ALA 131 1HB ALA 131 -17.852 -5.494 -12.391 1008 2HB ALA 131 2HB ALA 131 -16.232 -6.191 -12.481 1009 3HB ALA 131 3HB ALA 131 -16.842 -5.204 -13.809 1010 H SER 132 H SER 132 -14.314 -3.238 -10.731 1011 HA SER 132 HA SER 132 -12.596 -2.934 -13.084 1012 1HB SER 132 1HB SER 132 -11.371 -1.417 -11.229 1013 2HB SER 132 2HB SER 132 -12.636 -0.815 -12.295 1014 HG SER 132 HG SER 132 -14.150 -1.266 -10.616 Start of MODEL 18 1 1H MET 1 1H MET 1 16.606 9.401 -5.183 2 HA MET 1 HA MET 1 18.374 11.590 -4.805 3 1HB MET 1 1HB MET 1 16.972 10.757 -2.255 4 2HB MET 1 2HB MET 1 18.267 11.937 -2.402 5 1HG MET 1 1HG MET 1 16.793 13.393 -3.691 6 2HG MET 1 2HG MET 1 15.494 12.209 -3.534 7 1HE MET 1 1HE MET 1 15.008 15.187 -2.714 8 2HE MET 1 2HE MET 1 14.206 14.996 -1.155 9 3HE MET 1 3HE MET 1 13.811 13.911 -2.491 10 H SER 2 H SER 2 20.208 10.936 -3.235 11 HA SER 2 HA SER 2 20.755 8.118 -3.480 12 1HB SER 2 1HB SER 2 22.806 8.746 -2.077 13 2HB SER 2 2HB SER 2 22.670 9.516 -3.657 14 HG SER 2 HG SER 2 23.219 11.029 -2.059 15 H ASN 3 H ASN 3 19.105 7.145 -2.371 16 HA ASN 3 HA ASN 3 18.431 8.070 0.293 17 1HB ASN 3 1HB ASN 3 16.538 6.384 0.027 18 2HB ASN 3 2HB ASN 3 16.536 7.761 -1.067 19 1HD2 ASN 3 1HD2 ASN 3 15.280 6.688 -2.580 20 2HD2 ASN 3 2HD2 ASN 3 15.901 5.415 -3.569 21 H ASP 4 H ASP 4 20.777 7.141 0.594 22 HA ASP 4 HA ASP 4 20.834 4.298 1.226 23 1HB ASP 4 1HB ASP 4 22.736 5.543 0.151 24 2HB ASP 4 2HB ASP 4 22.961 6.400 1.666 25 H THR 5 H THR 5 19.323 6.545 2.694 26 HA THR 5 HA THR 5 19.902 5.703 5.381 27 HB THR 5 HB THR 5 20.151 8.639 4.693 28 HG1 THR 5 HG1 THR 5 22.034 6.585 4.954 29 1HG2 THR 5 1HG2 THR 5 20.873 8.874 7.030 30 2HG2 THR 5 2HG2 THR 5 20.565 7.156 7.292 31 3HG2 THR 5 3HG2 THR 5 19.229 8.245 6.917 32 HA PRO 6 HA PRO 6 15.827 8.431 5.298 33 1HB PRO 6 1HB PRO 6 14.991 9.011 2.715 34 2HB PRO 6 2HB PRO 6 15.754 10.154 3.821 35 1HG PRO 6 1HG PRO 6 16.967 8.567 1.600 36 2HG PRO 6 2HG PRO 6 17.291 10.239 2.095 37 1HD PRO 6 1HD PRO 6 18.970 8.257 2.721 38 2HD PRO 6 2HD PRO 6 18.650 9.584 3.857 39 H PHE 7 H PHE 7 16.145 6.696 2.171 40 HA PHE 7 HA PHE 7 13.678 5.343 2.408 41 1HB PHE 7 1HB PHE 7 14.647 5.561 0.228 42 2HB PHE 7 2HB PHE 7 16.135 4.772 0.743 43 HD1 PHE 7 HD1 PHE 7 12.494 4.135 0.287 44 HD2 PHE 7 HD2 PHE 7 16.424 2.504 0.400 45 HE1 PHE 7 HE1 PHE 7 11.616 1.966 -0.472 46 HE2 PHE 7 HE2 PHE 7 15.552 0.333 -0.358 47 HZ PHE 7 HZ PHE 7 13.142 0.060 -0.793 48 H ASP 8 H ASP 8 16.989 4.401 3.180 49 HA ASP 8 HA ASP 8 16.601 1.759 3.943 50 1HB ASP 8 1HB ASP 8 18.778 3.092 3.784 51 2HB ASP 8 2HB ASP 8 18.412 3.697 5.385 52 H ALA 9 H ALA 9 16.521 4.680 5.910 53 HA ALA 9 HA ALA 9 15.666 3.465 8.316 54 1HB ALA 9 1HB ALA 9 16.616 5.719 8.227 55 2HB ALA 9 2HB ALA 9 15.058 5.704 9.054 56 3HB ALA 9 3HB ALA 9 15.169 6.294 7.396 57 H LEU 10 H LEU 10 13.772 5.101 5.788 58 HA LEU 10 HA LEU 10 11.243 4.865 6.929 59 1HB LEU 10 1HB LEU 10 12.349 5.635 4.444 60 2HB LEU 10 2HB LEU 10 11.082 4.477 4.095 61 HG LEU 10 HG LEU 10 10.273 6.792 4.010 62 1HD1 LEU 10 1HD1 LEU 10 8.706 5.036 4.573 63 2HD1 LEU 10 2HD1 LEU 10 8.319 6.509 5.462 64 3HD1 LEU 10 3HD1 LEU 10 9.132 5.175 6.279 65 1HD2 LEU 10 1HD2 LEU 10 10.090 8.135 6.017 66 2HD2 LEU 10 2HD2 LEU 10 11.781 7.739 5.704 67 3HD2 LEU 10 3HD2 LEU 10 10.893 6.877 6.960 68 H TRP 11 H TRP 11 12.970 2.629 4.780 69 HA TRP 11 HA TRP 11 10.853 0.763 4.573 70 1HB TRP 11 1HB TRP 11 13.037 1.002 3.156 71 2HB TRP 11 2HB TRP 11 13.723 -0.076 4.368 72 HD1 TRP 11 HD1 TRP 11 10.113 -0.726 3.599 73 HE1 TRP 11 HE1 TRP 11 9.889 -2.859 2.182 74 HE3 TRP 11 HE3 TRP 11 15.038 -1.450 2.442 75 HZ2 TRP 11 HZ2 TRP 11 11.568 -4.608 0.755 76 HZ3 TRP 11 HZ3 TRP 11 15.642 -3.377 1.037 77 HH2 TRP 11 HH2 TRP 11 13.938 -4.920 0.212 78 H GLN 12 H GLN 12 13.650 0.974 6.729 79 HA GLN 12 HA GLN 12 13.272 -1.404 8.129 80 1HB GLN 12 1HB GLN 12 14.567 1.208 8.733 81 2HB GLN 12 2HB GLN 12 14.316 0.080 10.054 82 1HG GLN 12 1HG GLN 12 15.800 -0.509 7.506 83 2HG GLN 12 2HG GLN 12 16.536 -0.138 9.066 84 1HE2 GLN 12 1HE2 GLN 12 14.517 -1.653 10.549 85 2HE2 GLN 12 2HE2 GLN 12 14.903 -3.319 10.308 86 H ARG 13 H ARG 13 11.769 1.750 8.551 87 HA ARG 13 HA ARG 13 10.408 1.178 10.949 88 1HB ARG 13 1HB ARG 13 9.786 3.109 8.719 89 2HB ARG 13 2HB ARG 13 8.865 3.039 10.216 90 1HG ARG 13 1HG ARG 13 11.826 3.564 10.061 91 2HG ARG 13 2HG ARG 13 10.587 4.816 10.183 92 1HD ARG 13 1HD ARG 13 9.878 3.966 12.327 93 2HD ARG 13 2HD ARG 13 10.978 2.596 12.189 94 HE ARG 13 HE ARG 13 12.815 4.286 12.257 95 1HH1 ARG 13 1HH1 ARG 13 9.669 5.036 13.625 96 2HH1 ARG 13 2HH1 ARG 13 10.310 6.164 14.786 97 1HH2 ARG 13 1HH2 ARG 13 13.648 5.768 13.789 98 2HH2 ARG 13 2HH2 ARG 13 12.556 6.589 14.871 99 H MET 14 H MET 14 9.240 1.070 7.581 100 HA MET 14 HA MET 14 6.736 -0.052 8.167 101 1HB MET 14 1HB MET 14 8.416 -0.293 5.665 102 2HB MET 14 2HB MET 14 6.731 -0.775 5.784 103 1HG MET 14 1HG MET 14 6.266 1.635 6.478 104 2HG MET 14 2HG MET 14 7.898 1.981 5.906 105 1HE MET 14 1HE MET 14 8.676 1.626 3.363 106 2HE MET 14 2HE MET 14 7.613 1.002 2.101 107 3HE MET 14 3HE MET 14 8.129 -0.052 3.421 108 H LEU 15 H LEU 15 9.877 -1.507 7.600 109 HA LEU 15 HA LEU 15 9.067 -4.196 7.406 110 1HB LEU 15 1HB LEU 15 11.492 -2.734 7.466 111 2HB LEU 15 2HB LEU 15 11.613 -3.973 8.696 112 HG LEU 15 HG LEU 15 12.564 -4.718 6.580 113 1HD1 LEU 15 1HD1 LEU 15 11.582 -6.388 8.047 114 2HD1 LEU 15 2HD1 LEU 15 11.342 -6.833 6.357 115 3HD1 LEU 15 3HD1 LEU 15 10.009 -6.151 7.289 116 1HD2 LEU 15 1HD2 LEU 15 11.145 -5.101 4.632 117 2HD2 LEU 15 2HD2 LEU 15 11.210 -3.390 5.061 118 3HD2 LEU 15 3HD2 LEU 15 9.790 -4.352 5.476 119 H ALA 16 H ALA 16 9.921 -2.164 10.158 120 HA ALA 16 HA ALA 16 9.958 -4.187 12.117 121 1HB ALA 16 1HB ALA 16 9.358 -1.257 12.467 122 2HB ALA 16 2HB ALA 16 10.967 -1.975 12.424 123 3HB ALA 16 3HB ALA 16 9.854 -2.381 13.732 124 H ARG 17 H ARG 17 7.355 -2.501 10.581 125 HA ARG 17 HA ARG 17 5.399 -3.051 12.592 126 1HB ARG 17 1HB ARG 17 5.102 -2.257 9.697 127 2HB ARG 17 2HB ARG 17 3.768 -2.376 10.832 128 1HG ARG 17 1HG ARG 17 6.124 -0.525 11.066 129 2HG ARG 17 2HG ARG 17 4.509 -0.080 10.514 130 1HD ARG 17 1HD ARG 17 5.292 -1.079 13.247 131 2HD ARG 17 2HD ARG 17 4.764 0.541 12.816 132 HE ARG 17 HE ARG 17 3.067 -1.855 12.960 133 1HH1 ARG 17 1HH1 ARG 17 3.362 1.627 12.628 134 2HH1 ARG 17 2HH1 ARG 17 1.665 1.914 12.873 135 1HH2 ARG 17 1HH2 ARG 17 0.837 -1.443 13.307 136 2HH2 ARG 17 2HH2 ARG 17 0.250 0.196 13.261 137 H GLY 18 H GLY 18 6.989 -5.048 10.471 138 1HA GLY 18 1HA GLY 18 6.630 -7.362 10.302 139 2HA GLY 18 2HA GLY 18 4.971 -7.121 10.832 140 H TRP 19 H TRP 19 6.230 -5.090 8.346 141 HA TRP 19 HA TRP 19 4.351 -6.261 6.469 142 1HB TRP 19 1HB TRP 19 6.071 -3.772 6.286 143 2HB TRP 19 2HB TRP 19 4.906 -4.281 5.067 144 HD1 TRP 19 HD1 TRP 19 3.189 -5.141 8.066 145 HE1 TRP 19 HE1 TRP 19 1.614 -3.281 8.880 146 HE3 TRP 19 HE3 TRP 19 5.037 -1.257 5.310 147 HZ2 TRP 19 HZ2 TRP 19 1.211 -0.523 8.422 148 HZ3 TRP 19 HZ3 TRP 19 3.995 0.959 5.552 149 HH2 TRP 19 HH2 TRP 19 2.122 1.317 7.074 150 H THR 20 H THR 20 4.925 -7.673 4.991 151 HA THR 20 HA THR 20 7.628 -8.658 5.072 152 HB THR 20 HB THR 20 5.359 -9.706 3.382 153 HG1 THR 20 HG1 THR 20 5.765 -9.758 6.150 154 1HG2 THR 20 1HG2 THR 20 7.742 -11.065 4.658 155 2HG2 THR 20 2HG2 THR 20 7.594 -10.652 2.951 156 3HG2 THR 20 3HG2 THR 20 6.512 -11.846 3.665 157 HA PRO 21 HA PRO 21 8.832 -6.654 1.192 158 1HB PRO 21 1HB PRO 21 11.368 -7.664 1.209 159 2HB PRO 21 2HB PRO 21 10.892 -6.225 2.117 160 1HG PRO 21 1HG PRO 21 11.254 -9.034 3.067 161 2HG PRO 21 2HG PRO 21 11.705 -7.513 3.859 162 1HD PRO 21 1HD PRO 21 9.483 -8.931 4.534 163 2HD PRO 21 2HD PRO 21 9.590 -7.166 4.682 164 H VAL 22 H VAL 22 8.244 -7.556 -0.698 165 HA VAL 22 HA VAL 22 8.597 -10.469 -0.979 166 HB VAL 22 HB VAL 22 6.280 -9.916 -0.404 167 1HG1 VAL 22 1HG1 VAL 22 4.859 -8.653 -1.900 168 2HG1 VAL 22 2HG1 VAL 22 6.221 -8.351 -2.978 169 3HG1 VAL 22 3HG1 VAL 22 6.208 -7.661 -1.357 170 1HG2 VAL 22 1HG2 VAL 22 5.168 -11.073 -2.258 171 2HG2 VAL 22 2HG2 VAL 22 6.668 -11.864 -1.776 172 3HG2 VAL 22 3HG2 VAL 22 6.622 -10.876 -3.238 173 H SER 23 H SER 23 9.117 -11.271 -2.971 174 HA SER 23 HA SER 23 10.098 -9.397 -4.953 175 1HB SER 23 1HB SER 23 11.394 -11.427 -4.331 176 2HB SER 23 2HB SER 23 10.089 -12.431 -4.961 177 HG SER 23 HG SER 23 11.179 -10.501 -6.678 178 H GLU 24 H GLU 24 9.538 -9.698 -7.254 179 HA GLU 24 HA GLU 24 6.858 -9.127 -7.654 180 1HB GLU 24 1HB GLU 24 8.597 -10.231 -9.846 181 2HB GLU 24 2HB GLU 24 7.336 -9.013 -9.959 182 1HG GLU 24 1HG GLU 24 9.189 -7.700 -10.131 183 2HG GLU 24 2HG GLU 24 8.948 -7.658 -8.386 184 H SER 25 H SER 25 8.554 -12.135 -8.542 185 HA SER 25 HA SER 25 6.253 -13.404 -9.578 186 1HB SER 25 1HB SER 25 8.777 -14.711 -8.541 187 2HB SER 25 2HB SER 25 7.634 -15.385 -9.705 188 HG SER 25 HG SER 25 8.195 -13.663 -11.130 189 H ARG 26 H ARG 26 7.474 -13.039 -6.373 190 HA ARG 26 HA ARG 26 5.898 -15.232 -5.320 191 1HB ARG 26 1HB ARG 26 8.018 -14.907 -4.261 192 2HB ARG 26 2HB ARG 26 7.714 -13.196 -4.029 193 1HG ARG 26 1HG ARG 26 7.538 -14.371 -1.937 194 2HG ARG 26 2HG ARG 26 5.964 -13.730 -2.405 195 1HD ARG 26 1HD ARG 26 5.271 -15.933 -3.167 196 2HD ARG 26 2HD ARG 26 6.868 -16.585 -2.793 197 HE ARG 26 HE ARG 26 5.913 -15.432 -0.462 198 1HH1 ARG 26 1HH1 ARG 26 4.903 -18.049 -2.574 199 2HH1 ARG 26 2HH1 ARG 26 4.218 -18.979 -1.282 200 1HH2 ARG 26 1HH2 ARG 26 5.020 -16.634 1.202 201 2HH2 ARG 26 2HH2 ARG 26 4.307 -18.188 0.878 202 H LEU 27 H LEU 27 5.672 -11.803 -5.752 203 HA LEU 27 HA LEU 27 3.671 -11.203 -3.886 204 1HB LEU 27 1HB LEU 27 5.006 -9.548 -5.199 205 2HB LEU 27 2HB LEU 27 4.080 -9.973 -6.620 206 HG LEU 27 HG LEU 27 3.466 -7.816 -5.377 207 1HD1 LEU 27 1HD1 LEU 27 1.318 -9.847 -5.959 208 2HD1 LEU 27 2HD1 LEU 27 2.064 -8.750 -7.121 209 3HD1 LEU 27 3HD1 LEU 27 1.076 -8.107 -5.810 210 1HD2 LEU 27 1HD2 LEU 27 2.209 -9.829 -3.521 211 2HD2 LEU 27 2HD2 LEU 27 1.874 -8.098 -3.524 212 3HD2 LEU 27 3HD2 LEU 27 3.488 -8.686 -3.124 213 H ASP 28 H ASP 28 3.507 -12.491 -7.165 214 HA ASP 28 HA ASP 28 0.663 -12.323 -7.375 215 1HB ASP 28 1HB ASP 28 2.196 -12.440 -9.340 216 2HB ASP 28 2HB ASP 28 2.559 -14.110 -8.919 217 H ASP 29 H ASP 29 2.932 -14.876 -6.534 218 HA ASP 29 HA ASP 29 1.090 -16.990 -6.197 219 1HB ASP 29 1HB ASP 29 3.650 -17.086 -6.271 220 2HB ASP 29 2HB ASP 29 3.617 -16.593 -4.592 221 H TRP 30 H TRP 30 2.634 -14.870 -3.835 222 HA TRP 30 HA TRP 30 1.298 -15.906 -1.593 223 1HB TRP 30 1HB TRP 30 3.430 -14.445 -1.721 224 2HB TRP 30 2HB TRP 30 2.314 -13.083 -1.698 225 HD1 TRP 30 HD1 TRP 30 2.113 -16.327 0.410 226 HE1 TRP 30 HE1 TRP 30 2.113 -15.673 2.897 227 HE3 TRP 30 HE3 TRP 30 2.738 -11.269 -0.082 228 HZ2 TRP 30 HZ2 TRP 30 2.339 -13.329 4.441 229 HZ3 TRP 30 HZ3 TRP 30 2.837 -9.897 1.959 230 HH2 TRP 30 HH2 TRP 30 2.642 -10.909 4.173 231 H LEU 31 H LEU 31 0.471 -13.211 -3.741 232 HA LEU 31 HA LEU 31 -1.739 -12.252 -2.258 233 1HB LEU 31 1HB LEU 31 -0.555 -11.195 -4.292 234 2HB LEU 31 2HB LEU 31 -1.552 -12.248 -5.271 235 HG LEU 31 HG LEU 31 -2.341 -9.853 -5.002 236 1HD1 LEU 31 1HD1 LEU 31 -4.217 -12.071 -4.221 237 2HD1 LEU 31 2HD1 LEU 31 -3.826 -11.543 -5.857 238 3HD1 LEU 31 3HD1 LEU 31 -4.707 -10.468 -4.771 239 1HD2 LEU 31 1HD2 LEU 31 -3.587 -9.324 -2.961 240 2HD2 LEU 31 2HD2 LEU 31 -1.872 -9.578 -2.642 241 3HD2 LEU 31 3HD2 LEU 31 -3.039 -10.838 -2.243 242 H THR 32 H THR 32 -1.287 -14.885 -4.485 243 HA THR 32 HA THR 32 -4.019 -15.648 -4.728 244 HB THR 32 HB THR 32 -1.470 -17.207 -5.167 245 HG1 THR 32 HG1 THR 32 -1.564 -15.559 -6.635 246 1HG2 THR 32 1HG2 THR 32 -2.772 -18.774 -6.454 247 2HG2 THR 32 2HG2 THR 32 -4.246 -17.856 -6.144 248 3HG2 THR 32 3HG2 THR 32 -3.427 -18.682 -4.819 249 H GLN 33 H GLN 33 -1.382 -16.497 -2.560 250 HA GLN 33 HA GLN 33 -2.738 -18.642 -1.255 251 1HB GLN 33 1HB GLN 33 -0.412 -17.039 -0.186 252 2HB GLN 33 2HB GLN 33 -0.849 -18.691 0.213 253 1HG GLN 33 1HG GLN 33 -0.021 -17.858 -2.547 254 2HG GLN 33 2HG GLN 33 1.129 -18.381 -1.320 255 1HE2 GLN 33 1HE2 GLN 33 1.706 -20.047 -2.782 256 2HE2 GLN 33 2HE2 GLN 33 0.739 -21.486 -2.900 257 H ALA 34 H ALA 34 -2.422 -15.202 -0.709 258 HA ALA 34 HA ALA 34 -3.629 -15.352 1.929 259 1HB ALA 34 1HB ALA 34 -2.768 -12.935 0.346 260 2HB ALA 34 2HB ALA 34 -1.762 -13.808 1.501 261 3HB ALA 34 3HB ALA 34 -3.212 -12.973 2.052 262 HA PRO 35 HA PRO 35 -7.768 -14.592 0.516 263 1HB PRO 35 1HB PRO 35 -8.280 -13.361 3.131 264 2HB PRO 35 2HB PRO 35 -8.953 -14.840 2.441 265 1HG PRO 35 1HG PRO 35 -7.201 -14.887 4.486 266 2HG PRO 35 2HG PRO 35 -7.240 -16.154 3.246 267 1HD PRO 35 1HD PRO 35 -5.372 -13.826 3.518 268 2HD PRO 35 2HD PRO 35 -5.015 -15.512 3.080 269 H ASP 36 H ASP 36 -6.055 -12.064 2.286 270 HA ASP 36 HA ASP 36 -7.062 -10.044 0.443 271 1HB ASP 36 1HB ASP 36 -8.538 -10.275 2.579 272 2HB ASP 36 2HB ASP 36 -7.174 -9.533 3.409 273 H GLY 37 H GLY 37 -5.723 -8.056 0.556 274 1HA GLY 37 1HA GLY 37 -3.391 -7.976 2.155 275 2HA GLY 37 2HA GLY 37 -3.011 -8.716 0.609 276 H VAL 38 H VAL 38 -2.121 -6.202 1.846 277 HA VAL 38 HA VAL 38 -2.831 -4.415 -0.383 278 HB VAL 38 HB VAL 38 -2.426 -2.472 1.112 279 1HG1 VAL 38 1HG1 VAL 38 -4.702 -3.200 0.667 280 2HG1 VAL 38 2HG1 VAL 38 -4.558 -2.597 2.320 281 3HG1 VAL 38 3HG1 VAL 38 -4.618 -4.334 2.017 282 1HG2 VAL 38 1HG2 VAL 38 -2.415 -2.773 3.530 283 2HG2 VAL 38 2HG2 VAL 38 -1.041 -3.593 2.790 284 3HG2 VAL 38 3HG2 VAL 38 -2.441 -4.524 3.323 285 H VAL 39 H VAL 39 -1.147 -3.290 -1.322 286 HA VAL 39 HA VAL 39 1.556 -4.027 -0.393 287 HB VAL 39 HB VAL 39 0.668 -3.827 -3.280 288 1HG1 VAL 39 1HG1 VAL 39 3.320 -4.642 -2.095 289 2HG1 VAL 39 2HG1 VAL 39 2.979 -3.144 -2.965 290 3HG1 VAL 39 3HG1 VAL 39 2.896 -4.692 -3.808 291 1HG2 VAL 39 1HG2 VAL 39 1.046 -6.256 -3.370 292 2HG2 VAL 39 2HG2 VAL 39 -0.243 -5.827 -2.246 293 3HG2 VAL 39 3HG2 VAL 39 1.350 -6.263 -1.632 294 H LEU 40 H LEU 40 2.964 -2.377 -0.205 295 HA LEU 40 HA LEU 40 2.059 0.263 -1.116 296 1HB LEU 40 1HB LEU 40 4.086 -0.512 0.979 297 2HB LEU 40 2HB LEU 40 3.881 1.128 0.413 298 HG LEU 40 HG LEU 40 1.465 0.945 1.177 299 1HD1 LEU 40 1HD1 LEU 40 0.989 -0.701 2.918 300 2HD1 LEU 40 2HD1 LEU 40 2.562 -1.450 2.638 301 3HD1 LEU 40 3HD1 LEU 40 1.334 -1.477 1.372 302 1HD2 LEU 40 1HD2 LEU 40 2.038 1.448 3.495 303 2HD2 LEU 40 2HD2 LEU 40 3.144 2.238 2.368 304 3HD2 LEU 40 3HD2 LEU 40 3.654 0.791 3.237 305 H LEU 41 H LEU 41 3.006 1.197 -2.770 306 HA LEU 41 HA LEU 41 5.429 -0.034 -3.860 307 1HB LEU 41 1HB LEU 41 3.337 1.774 -5.054 308 2HB LEU 41 2HB LEU 41 4.862 1.468 -5.858 309 HG LEU 41 HG LEU 41 4.284 -0.985 -5.838 310 1HD1 LEU 41 1HD1 LEU 41 1.555 0.030 -5.056 311 2HD1 LEU 41 2HD1 LEU 41 2.626 -0.930 -4.035 312 3HD1 LEU 41 3HD1 LEU 41 1.965 -1.621 -5.516 313 1HD2 LEU 41 1HD2 LEU 41 4.029 0.395 -7.826 314 2HD2 LEU 41 2HD2 LEU 41 2.410 0.867 -7.302 315 3HD2 LEU 41 3HD2 LEU 41 2.747 -0.812 -7.725 316 H SER 42 H SER 42 7.334 0.927 -3.581 317 HA SER 42 HA SER 42 7.492 3.665 -2.657 318 1HB SER 42 1HB SER 42 9.710 1.723 -3.357 319 2HB SER 42 2HB SER 42 9.895 3.241 -2.478 320 HG SER 42 HG SER 42 8.310 2.246 -0.959 321 H SER 43 H SER 43 8.945 1.848 -5.339 322 HA SER 43 HA SER 43 9.484 2.376 -7.461 323 1HB SER 43 1HB SER 43 7.035 4.138 -7.214 324 2HB SER 43 2HB SER 43 7.766 3.591 -8.726 325 HG SER 43 HG SER 43 7.389 1.451 -7.240 326 H ASP 44 H ASP 44 11.473 3.424 -6.798 327 HA ASP 44 HA ASP 44 11.747 5.895 -8.125 328 1HB ASP 44 1HB ASP 44 10.905 6.949 -6.140 329 2HB ASP 44 2HB ASP 44 11.990 6.004 -5.119 330 HA PRO 45 HA PRO 45 15.890 4.216 -7.876 331 1HB PRO 45 1HB PRO 45 16.484 4.530 -10.464 332 2HB PRO 45 2HB PRO 45 15.440 3.213 -9.917 333 1HG PRO 45 1HG PRO 45 14.733 5.717 -11.338 334 2HG PRO 45 2HG PRO 45 13.932 4.137 -11.367 335 1HD PRO 45 1HD PRO 45 13.203 6.429 -9.830 336 2HD PRO 45 2HD PRO 45 12.471 4.814 -9.780 337 H LYS 46 H LYS 46 14.627 7.322 -8.779 338 HA LYS 46 HA LYS 46 17.343 8.397 -9.150 339 1HB LYS 46 1HB LYS 46 16.136 8.039 -11.256 340 2HB LYS 46 2HB LYS 46 14.858 9.094 -10.690 341 1HG LYS 46 1HG LYS 46 16.481 10.950 -10.577 342 2HG LYS 46 2HG LYS 46 17.703 9.877 -11.270 343 1HD LYS 46 1HD LYS 46 16.378 9.599 -13.269 344 2HD LYS 46 2HD LYS 46 15.065 10.546 -12.570 345 1HE LYS 46 1HE LYS 46 16.585 12.497 -12.467 346 2HE LYS 46 2HE LYS 46 17.825 11.537 -13.273 347 1HZ LYS 46 1HZ LYS 46 16.380 11.303 -15.180 348 2HZ LYS 46 2HZ LYS 46 16.599 12.947 -14.823 349 3HZ LYS 46 3HZ LYS 46 15.152 12.172 -14.398 350 H ARG 47 H ARG 47 13.976 9.590 -8.726 351 HA ARG 47 HA ARG 47 15.161 12.147 -7.935 352 1HB ARG 47 1HB ARG 47 13.526 12.033 -9.803 353 2HB ARG 47 2HB ARG 47 12.300 11.522 -8.658 354 1HG ARG 47 1HG ARG 47 12.025 13.852 -9.119 355 2HG ARG 47 2HG ARG 47 12.574 13.659 -7.455 356 1HD ARG 47 1HD ARG 47 14.501 14.181 -9.697 357 2HD ARG 47 2HD ARG 47 13.648 15.491 -8.890 358 HE ARG 47 HE ARG 47 14.684 14.622 -6.782 359 1HH1 ARG 47 1HH1 ARG 47 16.199 14.141 -9.912 360 2HH1 ARG 47 2HH1 ARG 47 17.799 13.956 -9.249 361 1HH2 ARG 47 1HH2 ARG 47 16.761 14.414 -5.917 362 2HH2 ARG 47 2HH2 ARG 47 18.122 14.111 -6.955 363 H THR 48 H THR 48 12.880 9.752 -6.737 364 HA THR 48 HA THR 48 11.895 9.412 -4.728 365 HB THR 48 HB THR 48 13.662 11.611 -3.628 366 HG1 THR 48 HG1 THR 48 14.112 8.906 -4.266 367 1HG2 THR 48 1HG2 THR 48 13.271 10.520 -1.476 368 2HG2 THR 48 2HG2 THR 48 12.226 9.332 -2.257 369 3HG2 THR 48 3HG2 THR 48 11.746 11.029 -2.200 370 HA PRO 49 HA PRO 49 9.000 12.739 -5.789 371 1HB PRO 49 1HB PRO 49 6.975 10.692 -5.273 372 2HB PRO 49 2HB PRO 49 7.328 11.569 -6.763 373 1HG PRO 49 1HG PRO 49 7.870 8.943 -6.480 374 2HG PRO 49 2HG PRO 49 8.876 10.018 -7.470 375 1HD PRO 49 1HD PRO 49 9.350 9.011 -4.684 376 2HD PRO 49 2HD PRO 49 10.494 9.158 -6.037 377 H GLU 50 H GLU 50 8.448 10.424 -3.119 378 HA GLU 50 HA GLU 50 7.864 12.517 -1.280 379 1HB GLU 50 1HB GLU 50 5.722 12.455 -2.483 380 2HB GLU 50 2HB GLU 50 5.589 10.730 -2.172 381 1HG GLU 50 1HG GLU 50 4.181 12.005 -0.664 382 2HG GLU 50 2HG GLU 50 5.448 11.155 0.218 383 H VAL 51 H VAL 51 8.992 11.765 0.323 384 HA VAL 51 HA VAL 51 9.326 8.961 0.893 385 HB VAL 51 HB VAL 51 10.139 11.279 2.648 386 1HG1 VAL 51 1HG1 VAL 51 10.302 9.128 3.727 387 2HG1 VAL 51 2HG1 VAL 51 11.916 9.756 3.386 388 3HG1 VAL 51 3HG1 VAL 51 11.231 8.486 2.370 389 1HG2 VAL 51 1HG2 VAL 51 11.675 10.077 0.348 390 2HG2 VAL 51 2HG2 VAL 51 12.310 11.249 1.501 391 3HG2 VAL 51 3HG2 VAL 51 10.993 11.700 0.418 392 H SER 52 H SER 52 7.307 11.549 2.010 393 HA SER 52 HA SER 52 6.649 10.382 4.523 394 1HB SER 52 1HB SER 52 5.012 12.544 3.348 395 2HB SER 52 2HB SER 52 5.749 12.411 4.932 396 HG SER 52 HG SER 52 6.809 13.406 2.558 397 H ASP 53 H ASP 53 5.711 9.491 1.496 398 HA ASP 53 HA ASP 53 2.866 9.597 1.704 399 1HB ASP 53 1HB ASP 53 4.169 9.601 -0.456 400 2HB ASP 53 2HB ASP 53 4.462 7.883 -0.203 401 H ASN 54 H ASN 54 1.762 8.434 3.058 402 HA ASN 54 HA ASN 54 0.905 6.715 4.260 403 1HB ASN 54 1HB ASN 54 1.719 5.257 1.749 404 2HB ASN 54 2HB ASN 54 0.720 4.543 3.011 405 1HD2 ASN 54 1HD2 ASN 54 0.841 6.716 0.338 406 2HD2 ASN 54 2HD2 ASN 54 -0.853 7.085 0.312 407 HA PRO 55 HA PRO 55 4.972 4.925 5.577 408 1HB PRO 55 1HB PRO 55 5.546 6.455 7.711 409 2HB PRO 55 2HB PRO 55 5.915 6.962 6.059 410 1HG PRO 55 1HG PRO 55 3.778 7.895 7.885 411 2HG PRO 55 2HG PRO 55 4.602 8.762 6.582 412 1HD PRO 55 1HD PRO 55 2.050 7.527 6.477 413 2HD PRO 55 2HD PRO 55 2.953 8.240 5.126 414 H VAL 56 H VAL 56 2.349 5.968 7.768 415 HA VAL 56 HA VAL 56 2.771 3.492 9.302 416 HB VAL 56 HB VAL 56 2.221 6.208 10.512 417 1HG1 VAL 56 1HG1 VAL 56 2.528 5.083 12.667 418 2HG1 VAL 56 2HG1 VAL 56 2.687 3.538 11.833 419 3HG1 VAL 56 3HG1 VAL 56 1.160 4.419 11.771 420 1HG2 VAL 56 1HG2 VAL 56 4.717 4.517 10.583 421 2HG2 VAL 56 2HG2 VAL 56 4.460 6.004 11.493 422 3HG2 VAL 56 3HG2 VAL 56 4.516 6.049 9.732 423 H MET 57 H MET 57 0.526 6.076 8.427 424 HA MET 57 HA MET 57 -1.597 5.344 10.054 425 1HB MET 57 1HB MET 57 -3.007 6.730 8.628 426 2HB MET 57 2HB MET 57 -1.471 7.514 8.963 427 1HG MET 57 1HG MET 57 -0.671 6.779 6.736 428 2HG MET 57 2HG MET 57 -2.281 6.139 6.412 429 1HE MET 57 1HE MET 57 -2.655 7.591 4.233 430 2HE MET 57 2HE MET 57 -0.981 8.112 4.417 431 3HE MET 57 3HE MET 57 -2.250 9.306 4.139 432 H ILE 58 H ILE 58 -0.620 3.878 7.060 433 HA ILE 58 HA ILE 58 -3.059 2.689 6.322 434 HB ILE 58 HB ILE 58 -0.225 1.731 5.882 435 1HG1 ILE 58 1HG1 ILE 58 -0.726 3.890 4.854 436 2HG1 ILE 58 2HG1 ILE 58 -0.554 2.648 3.618 437 1HG2 ILE 58 1HG2 ILE 58 -1.131 0.297 4.119 438 2HG2 ILE 58 2HG2 ILE 58 -2.767 0.763 4.581 439 3HG2 ILE 58 3HG2 ILE 58 -1.761 -0.150 5.705 440 1HD1 ILE 58 1HD1 ILE 58 -2.406 4.144 3.130 441 2HD1 ILE 58 2HD1 ILE 58 -3.157 3.736 4.670 442 3HD1 ILE 58 3HD1 ILE 58 -2.981 2.502 3.423 443 H GLY 59 H GLY 59 -0.468 1.579 8.477 444 1HA GLY 59 1HA GLY 59 -1.594 -0.991 8.956 445 2HA GLY 59 2HA GLY 59 -0.343 -0.211 9.916 446 H GLU 60 H GLU 60 -2.099 2.151 10.334 447 HA GLU 60 HA GLU 60 -3.350 1.225 12.735 448 1HB GLU 60 1HB GLU 60 -3.666 3.959 11.508 449 2HB GLU 60 2HB GLU 60 -3.760 3.513 13.202 450 1HG GLU 60 1HG GLU 60 -1.284 3.568 11.491 451 2HG GLU 60 2HG GLU 60 -1.705 4.692 12.782 452 H LEU 61 H LEU 61 -4.427 2.444 9.610 453 HA LEU 61 HA LEU 61 -7.167 2.647 10.143 454 1HB LEU 61 1HB LEU 61 -6.036 3.638 8.198 455 2HB LEU 61 2HB LEU 61 -5.766 2.036 7.542 456 HG LEU 61 HG LEU 61 -8.169 1.713 7.263 457 1HD1 LEU 61 1HD1 LEU 61 -8.959 3.057 9.135 458 2HD1 LEU 61 2HD1 LEU 61 -9.728 3.555 7.627 459 3HD1 LEU 61 3HD1 LEU 61 -8.426 4.527 8.316 460 1HD2 LEU 61 1HD2 LEU 61 -8.523 3.336 5.483 461 2HD2 LEU 61 2HD2 LEU 61 -6.875 2.709 5.449 462 3HD2 LEU 61 3HD2 LEU 61 -7.194 4.318 6.101 463 H LEU 62 H LEU 62 -5.306 -0.012 8.736 464 HA LEU 62 HA LEU 62 -7.432 -1.719 8.134 465 1HB LEU 62 1HB LEU 62 -4.511 -2.070 8.579 466 2HB LEU 62 2HB LEU 62 -5.512 -3.507 8.525 467 HG LEU 62 HG LEU 62 -6.202 -3.030 6.268 468 1HD1 LEU 62 1HD1 LEU 62 -6.377 -0.608 6.386 469 2HD1 LEU 62 2HD1 LEU 62 -5.365 -1.093 5.024 470 3HD1 LEU 62 3HD1 LEU 62 -4.622 -0.474 6.499 471 1HD2 LEU 62 1HD2 LEU 62 -4.045 -3.135 5.117 472 2HD2 LEU 62 2HD2 LEU 62 -4.084 -4.179 6.537 473 3HD2 LEU 62 3HD2 LEU 62 -3.235 -2.635 6.601 474 H ARG 63 H ARG 63 -5.972 -1.004 11.176 475 HA ARG 63 HA ARG 63 -6.492 -3.468 12.455 476 1HB ARG 63 1HB ARG 63 -5.716 -0.753 13.429 477 2HB ARG 63 2HB ARG 63 -6.136 -2.023 14.573 478 1HG ARG 63 1HG ARG 63 -3.985 -2.220 12.470 479 2HG ARG 63 2HG ARG 63 -3.722 -1.888 14.186 480 1HD ARG 63 1HD ARG 63 -4.548 -4.024 14.813 481 2HD ARG 63 2HD ARG 63 -5.135 -4.346 13.185 482 HE ARG 63 HE ARG 63 -2.622 -4.208 12.610 483 1HH1 ARG 63 1HH1 ARG 63 -3.962 -5.471 15.576 484 2HH1 ARG 63 2HH1 ARG 63 -2.696 -6.635 15.818 485 1HH2 ARG 63 1HH2 ARG 63 -0.954 -5.740 12.894 486 2HH2 ARG 63 2HH2 ARG 63 -0.973 -6.787 14.288 487 H GLU 64 H GLU 64 -8.730 -1.074 11.575 488 HA GLU 64 HA GLU 64 -10.473 -1.637 13.822 489 1HB GLU 64 1HB GLU 64 -12.139 -0.249 12.738 490 2HB GLU 64 2HB GLU 64 -10.592 0.577 12.782 491 1HG GLU 64 1HG GLU 64 -10.236 0.185 10.454 492 2HG GLU 64 2HG GLU 64 -11.651 -0.864 10.366 493 H PHE 65 H PHE 65 -9.489 -3.423 11.322 494 HA PHE 65 HA PHE 65 -11.992 -4.973 11.284 495 1HB PHE 65 1HB PHE 65 -9.572 -5.157 9.468 496 2HB PHE 65 2HB PHE 65 -10.977 -6.211 9.379 497 HD1 PHE 65 HD1 PHE 65 -9.647 -2.893 8.659 498 HD2 PHE 65 HD2 PHE 65 -13.101 -5.381 8.530 499 HE1 PHE 65 HE1 PHE 65 -10.729 -1.303 7.126 500 HE2 PHE 65 HE2 PHE 65 -14.185 -3.794 6.992 501 HZ PHE 65 HZ PHE 65 -13.000 -1.753 6.290 502 HA PRO 66 HA PRO 66 -9.312 -6.958 14.398 503 1HB PRO 66 1HB PRO 66 -11.835 -8.072 15.395 504 2HB PRO 66 2HB PRO 66 -10.666 -7.033 16.217 505 1HG PRO 66 1HG PRO 66 -13.086 -6.128 15.467 506 2HG PRO 66 2HG PRO 66 -11.646 -5.092 15.442 507 1HD PRO 66 1HD PRO 66 -12.996 -6.513 13.171 508 2HD PRO 66 2HD PRO 66 -12.349 -4.858 13.240 509 H ASP 67 H ASP 67 -12.053 -8.633 12.829 510 HA ASP 67 HA ASP 67 -10.731 -11.190 13.248 511 1HB ASP 67 1HB ASP 67 -13.190 -10.948 13.604 512 2HB ASP 67 2HB ASP 67 -13.372 -10.631 11.881 513 H TYR 68 H TYR 68 -11.180 -8.857 10.812 514 HA TYR 68 HA TYR 68 -10.616 -10.680 8.623 515 1HB TYR 68 1HB TYR 68 -12.305 -8.730 8.568 516 2HB TYR 68 2HB TYR 68 -10.896 -7.687 8.419 517 HD1 TYR 68 HD1 TYR 68 -10.559 -6.946 6.266 518 HD2 TYR 68 HD2 TYR 68 -11.998 -10.905 6.855 519 HE1 TYR 68 HE1 TYR 68 -10.583 -7.293 3.832 520 HE2 TYR 68 HE2 TYR 68 -12.029 -11.264 4.422 521 HH TYR 68 HH TYR 68 -10.544 -9.039 2.223 522 H THR 69 H THR 69 -8.560 -11.231 8.393 523 HA THR 69 HA THR 69 -6.445 -9.465 9.284 524 HB THR 69 HB THR 69 -5.014 -11.515 8.594 525 HG1 THR 69 HG1 THR 69 -6.415 -13.471 8.791 526 1HG2 THR 69 1HG2 THR 69 -7.010 -11.726 10.851 527 2HG2 THR 69 2HG2 THR 69 -5.490 -10.835 10.906 528 3HG2 THR 69 3HG2 THR 69 -5.478 -12.590 10.734 529 H TRP 70 H TRP 70 -5.284 -8.245 8.030 530 HA TRP 70 HA TRP 70 -5.475 -8.525 5.115 531 1HB TRP 70 1HB TRP 70 -4.519 -6.191 6.798 532 2HB TRP 70 2HB TRP 70 -4.657 -6.198 5.045 533 HD1 TRP 70 HD1 TRP 70 -7.065 -6.748 8.058 534 HE1 TRP 70 HE1 TRP 70 -9.302 -5.622 7.482 535 HE3 TRP 70 HE3 TRP 70 -5.951 -5.078 3.361 536 HZ2 TRP 70 HZ2 TRP 70 -10.445 -4.205 5.323 537 HZ3 TRP 70 HZ3 TRP 70 -7.667 -3.845 2.108 538 HH2 TRP 70 HH2 TRP 70 -9.871 -3.417 3.069 539 H GLN 71 H GLN 71 -3.738 -9.183 3.975 540 HA GLN 71 HA GLN 71 -1.201 -9.569 5.346 541 1HB GLN 71 1HB GLN 71 -2.502 -10.669 3.000 542 2HB GLN 71 2HB GLN 71 -0.860 -10.166 2.633 543 1HG GLN 71 1HG GLN 71 -0.725 -12.423 3.239 544 2HG GLN 71 2HG GLN 71 -0.125 -11.521 4.626 545 1HE2 GLN 71 1HE2 GLN 71 -1.270 -14.227 4.372 546 2HE2 GLN 71 2HE2 GLN 71 -2.583 -14.279 5.501 547 H VAL 72 H VAL 72 0.004 -7.762 5.563 548 HA VAL 72 HA VAL 72 -0.047 -5.777 3.419 549 HB VAL 72 HB VAL 72 1.421 -5.561 6.046 550 1HG1 VAL 72 1HG1 VAL 72 0.485 -3.500 4.047 551 2HG1 VAL 72 2HG1 VAL 72 2.153 -3.996 4.333 552 3HG1 VAL 72 3HG1 VAL 72 1.259 -3.142 5.590 553 1HG2 VAL 72 1HG2 VAL 72 -0.938 -5.943 6.525 554 2HG2 VAL 72 2HG2 VAL 72 -1.388 -4.668 5.389 555 3HG2 VAL 72 3HG2 VAL 72 -0.507 -4.264 6.862 556 H ALA 73 H ALA 73 1.382 -5.899 1.856 557 HA ALA 73 HA ALA 73 4.038 -7.029 2.446 558 1HB ALA 73 1HB ALA 73 2.699 -8.572 1.093 559 2HB ALA 73 2HB ALA 73 4.081 -7.953 0.189 560 3HB ALA 73 3HB ALA 73 2.466 -7.311 -0.117 561 H ILE 74 H ILE 74 5.794 -6.086 1.432 562 HA ILE 74 HA ILE 74 5.290 -3.641 -0.111 563 HB ILE 74 HB ILE 74 7.200 -2.547 1.110 564 1HG1 ILE 74 1HG1 ILE 74 6.740 -4.851 3.018 565 2HG1 ILE 74 2HG1 ILE 74 8.218 -4.497 2.133 566 1HG2 ILE 74 1HG2 ILE 74 4.771 -3.203 2.771 567 2HG2 ILE 74 2HG2 ILE 74 4.858 -1.967 1.519 568 3HG2 ILE 74 3HG2 ILE 74 5.833 -1.808 2.980 569 1HD1 ILE 74 1HD1 ILE 74 8.315 -3.866 4.508 570 2HD1 ILE 74 2HD1 ILE 74 7.016 -2.709 4.228 571 3HD1 ILE 74 3HD1 ILE 74 8.570 -2.504 3.420 572 H ALA 75 H ALA 75 6.939 -3.095 -1.584 573 HA ALA 75 HA ALA 75 8.834 -5.302 -2.080 574 1HB ALA 75 1HB ALA 75 7.296 -3.733 -4.145 575 2HB ALA 75 2HB ALA 75 6.982 -5.398 -3.658 576 3HB ALA 75 3HB ALA 75 8.488 -4.988 -4.478 577 H ASP 76 H ASP 76 10.812 -4.792 -3.077 578 HA ASP 76 HA ASP 76 12.070 -2.412 -2.350 579 1HB ASP 76 1HB ASP 76 12.811 -4.404 -4.501 580 2HB ASP 76 2HB ASP 76 13.861 -3.103 -3.955 581 H LEU 77 H LEU 77 13.390 -1.216 -4.241 582 HA LEU 77 HA LEU 77 11.541 0.598 -5.291 583 1HB LEU 77 1HB LEU 77 14.407 0.135 -6.119 584 2HB LEU 77 2HB LEU 77 13.460 1.562 -6.491 585 HG LEU 77 HG LEU 77 14.210 0.667 -3.710 586 1HD1 LEU 77 1HD1 LEU 77 15.305 2.910 -5.396 587 2HD1 LEU 77 2HD1 LEU 77 16.151 1.415 -4.994 588 3HD1 LEU 77 3HD1 LEU 77 15.735 2.564 -3.722 589 1HD2 LEU 77 1HD2 LEU 77 13.374 2.856 -3.026 590 2HD2 LEU 77 2HD2 LEU 77 12.102 1.903 -3.792 591 3HD2 LEU 77 3HD2 LEU 77 12.895 3.198 -4.689 592 H GLU 78 H GLU 78 13.544 -1.776 -7.085 593 HA GLU 78 HA GLU 78 12.323 -1.191 -9.572 594 1HB GLU 78 1HB GLU 78 13.788 -3.696 -8.748 595 2HB GLU 78 2HB GLU 78 13.425 -3.213 -10.395 596 1HG GLU 78 1HG GLU 78 14.792 -1.124 -9.908 597 2HG GLU 78 2HG GLU 78 15.356 -1.976 -8.470 598 H GLN 79 H GLN 79 11.827 -3.707 -7.172 599 HA GLN 79 HA GLN 79 10.017 -5.316 -8.497 600 1HB GLN 79 1HB GLN 79 10.376 -4.668 -5.580 601 2HB GLN 79 2HB GLN 79 9.157 -5.811 -6.119 602 1HG GLN 79 1HG GLN 79 10.929 -7.170 -5.553 603 2HG GLN 79 2HG GLN 79 11.104 -7.010 -7.295 604 1HE2 GLN 79 1HE2 GLN 79 13.055 -7.711 -5.255 605 2HE2 GLN 79 2HE2 GLN 79 14.340 -6.568 -5.404 606 H SER 80 H SER 80 9.304 -2.533 -6.382 607 HA SER 80 HA SER 80 6.504 -2.722 -6.719 608 1HB SER 80 1HB SER 80 6.502 -0.352 -5.827 609 2HB SER 80 2HB SER 80 7.312 -1.538 -4.808 610 HG SER 80 HG SER 80 9.288 -0.772 -5.502 611 H GLU 81 H GLU 81 8.999 -0.878 -8.398 612 HA GLU 81 HA GLU 81 7.332 0.613 -10.078 613 1HB GLU 81 1HB GLU 81 10.153 -0.393 -10.385 614 2HB GLU 81 2HB GLU 81 9.377 0.598 -11.609 615 1HG GLU 81 1HG GLU 81 9.123 2.411 -10.044 616 2HG GLU 81 2HG GLU 81 9.762 1.412 -8.738 617 H ALA 82 H ALA 82 8.799 -2.589 -10.526 618 HA ALA 82 HA ALA 82 7.848 -2.929 -13.176 619 1HB ALA 82 1HB ALA 82 8.684 -5.037 -11.186 620 2HB ALA 82 2HB ALA 82 9.759 -4.177 -12.289 621 3HB ALA 82 3HB ALA 82 8.519 -5.255 -12.929 622 H ILE 83 H ILE 83 6.581 -3.902 -10.016 623 HA ILE 83 HA ILE 83 4.413 -5.427 -11.012 624 HB ILE 83 HB ILE 83 4.729 -3.991 -8.365 625 1HG1 ILE 83 1HG1 ILE 83 4.990 -6.919 -9.097 626 2HG1 ILE 83 2HG1 ILE 83 6.344 -5.823 -8.846 627 1HG2 ILE 83 1HG2 ILE 83 2.877 -5.367 -7.559 628 2HG2 ILE 83 2HG2 ILE 83 2.654 -6.026 -9.178 629 3HG2 ILE 83 3HG2 ILE 83 2.361 -4.315 -8.877 630 1HD1 ILE 83 1HD1 ILE 83 5.664 -5.519 -6.522 631 2HD1 ILE 83 2HD1 ILE 83 5.968 -7.216 -6.899 632 3HD1 ILE 83 3HD1 ILE 83 4.311 -6.622 -6.773 633 H GLY 84 H GLY 84 4.692 -2.028 -10.025 634 1HA GLY 84 1HA GLY 84 2.020 -1.300 -10.563 635 2HA GLY 84 2HA GLY 84 3.394 -0.201 -10.532 636 H ASP 85 H ASP 85 4.931 -1.125 -12.587 637 HA ASP 85 HA ASP 85 3.811 0.084 -14.832 638 1HB ASP 85 1HB ASP 85 6.234 -0.259 -14.527 639 2HB ASP 85 2HB ASP 85 6.013 -1.990 -14.747 640 H ARG 86 H ARG 86 4.196 -3.389 -14.145 641 HA ARG 86 HA ARG 86 3.014 -4.291 -16.515 642 1HB ARG 86 1HB ARG 86 4.523 -5.578 -15.056 643 2HB ARG 86 2HB ARG 86 3.259 -5.652 -13.839 644 1HG ARG 86 1HG ARG 86 1.975 -7.121 -15.082 645 2HG ARG 86 2HG ARG 86 2.802 -6.714 -16.592 646 1HD ARG 86 1HD ARG 86 4.054 -8.128 -14.244 647 2HD ARG 86 2HD ARG 86 3.472 -8.898 -15.711 648 HE ARG 86 HE ARG 86 5.177 -7.114 -16.722 649 1HH1 ARG 86 1HH1 ARG 86 5.560 -9.427 -14.093 650 2HH1 ARG 86 2HH1 ARG 86 7.288 -9.546 -14.305 651 1HH2 ARG 86 1HH2 ARG 86 7.411 -7.298 -16.995 652 2HH2 ARG 86 2HH2 ARG 86 8.338 -8.348 -15.967 653 H PHE 87 H PHE 87 1.641 -3.236 -13.489 654 HA PHE 87 HA PHE 87 -0.930 -4.450 -14.104 655 1HB PHE 87 1HB PHE 87 0.115 -4.186 -11.744 656 2HB PHE 87 2HB PHE 87 -0.439 -2.518 -11.853 657 HD1 PHE 87 HD1 PHE 87 -2.544 -2.008 -11.075 658 HD2 PHE 87 HD2 PHE 87 -1.713 -5.995 -12.299 659 HE1 PHE 87 HE1 PHE 87 -4.781 -2.703 -10.321 660 HE2 PHE 87 HE2 PHE 87 -3.948 -6.698 -11.546 661 HZ PHE 87 HZ PHE 87 -5.485 -5.051 -10.559 662 H GLY 88 H GLY 88 0.729 -1.449 -14.432 663 1HA GLY 88 1HA GLY 88 0.139 0.205 -15.983 664 2HA GLY 88 2HA GLY 88 -1.501 -0.427 -16.004 665 H VAL 89 H VAL 89 0.272 0.357 -13.068 666 HA VAL 89 HA VAL 89 -1.581 2.616 -12.680 667 HB VAL 89 HB VAL 89 -0.659 0.708 -10.523 668 1HG1 VAL 89 1HG1 VAL 89 -2.272 1.884 -9.095 669 2HG1 VAL 89 2HG1 VAL 89 -2.610 3.012 -10.409 670 3HG1 VAL 89 3HG1 VAL 89 -1.007 2.969 -9.676 671 1HG2 VAL 89 1HG2 VAL 89 -3.367 1.013 -11.819 672 2HG2 VAL 89 2HG2 VAL 89 -2.995 -0.031 -10.446 673 3HG2 VAL 89 3HG2 VAL 89 -2.264 -0.349 -12.020 674 H PHE 90 H PHE 90 0.100 3.943 -13.507 675 HA PHE 90 HA PHE 90 1.735 5.499 -13.282 676 1HB PHE 90 1HB PHE 90 1.140 5.128 -10.339 677 2HB PHE 90 2HB PHE 90 1.976 6.504 -11.053 678 HD1 PHE 90 HD1 PHE 90 -1.190 5.085 -10.190 679 HD2 PHE 90 HD2 PHE 90 0.704 7.952 -12.705 680 HE1 PHE 90 HE1 PHE 90 -3.349 6.214 -10.522 681 HE2 PHE 90 HE2 PHE 90 -1.456 9.085 -13.043 682 HZ PHE 90 HZ PHE 90 -3.486 8.214 -11.950 683 H ARG 91 H ARG 91 3.593 5.917 -11.192 684 HA ARG 91 HA ARG 91 5.064 3.504 -10.649 685 1HB ARG 91 1HB ARG 91 5.730 4.330 -13.027 686 2HB ARG 91 2HB ARG 91 6.545 5.639 -12.179 687 1HG ARG 91 1HG ARG 91 7.776 3.858 -10.873 688 2HG ARG 91 2HG ARG 91 7.110 2.690 -12.015 689 1HD ARG 91 1HD ARG 91 9.024 4.946 -12.542 690 2HD ARG 91 2HD ARG 91 9.251 3.223 -12.838 691 HE ARG 91 HE ARG 91 7.645 5.079 -14.446 692 1HH1 ARG 91 1HH1 ARG 91 9.090 1.909 -14.020 693 2HH1 ARG 91 2HH1 ARG 91 8.728 1.393 -15.635 694 1HH2 ARG 91 1HH2 ARG 91 7.192 4.404 -16.582 695 2HH2 ARG 91 2HH2 ARG 91 7.667 2.808 -17.095 696 H PHE 92 H PHE 92 3.769 5.257 -9.019 697 HA PHE 92 HA PHE 92 5.934 6.789 -7.753 698 1HB PHE 92 1HB PHE 92 3.063 7.709 -8.074 699 2HB PHE 92 2HB PHE 92 4.333 8.580 -7.223 700 HD1 PHE 92 HD1 PHE 92 2.775 7.921 -10.387 701 HD2 PHE 92 HD2 PHE 92 6.290 9.454 -8.540 702 HE1 PHE 92 HE1 PHE 92 3.377 9.060 -12.485 703 HE2 PHE 92 HE2 PHE 92 6.897 10.592 -10.633 704 HZ PHE 92 HZ PHE 92 5.440 10.398 -12.609 705 HA PRO 93 HA PRO 93 4.856 4.944 -3.877 706 1HB PRO 93 1HB PRO 93 4.431 7.674 -2.781 707 2HB PRO 93 2HB PRO 93 5.464 6.369 -2.187 708 1HG PRO 93 1HG PRO 93 6.488 8.481 -3.444 709 2HG PRO 93 2HG PRO 93 7.164 6.860 -3.674 710 1HD PRO 93 1HD PRO 93 5.452 8.479 -5.496 711 2HD PRO 93 2HD PRO 93 6.746 7.325 -5.885 712 H ALA 94 H ALA 94 3.043 4.082 -3.213 713 HA ALA 94 HA ALA 94 0.658 5.425 -2.571 714 1HB ALA 94 1HB ALA 94 0.478 5.758 -4.989 715 2HB ALA 94 2HB ALA 94 -0.789 4.684 -4.398 716 3HB ALA 94 3HB ALA 94 0.609 4.018 -5.241 717 H THR 95 H THR 95 -1.045 3.944 -1.941 718 HA THR 95 HA THR 95 -0.013 1.246 -1.392 719 HB THR 95 HB THR 95 -2.262 2.703 0.014 720 HG1 THR 95 HG1 THR 95 0.246 3.242 0.199 721 1HG2 THR 95 1HG2 THR 95 -2.034 0.947 1.704 722 2HG2 THR 95 2HG2 THR 95 -0.777 0.173 0.742 723 3HG2 THR 95 3HG2 THR 95 -2.430 0.252 0.133 724 H LEU 96 H LEU 96 -0.774 -0.263 -2.717 725 HA LEU 96 HA LEU 96 -3.412 0.075 -3.945 726 1HB LEU 96 1HB LEU 96 -1.223 -1.945 -4.457 727 2HB LEU 96 2HB LEU 96 -2.760 -1.913 -5.301 728 HG LEU 96 HG LEU 96 -0.634 0.230 -5.397 729 1HD1 LEU 96 1HD1 LEU 96 -1.572 -1.749 -7.472 730 2HD1 LEU 96 2HD1 LEU 96 -0.027 -1.780 -6.623 731 3HD1 LEU 96 3HD1 LEU 96 -0.395 -0.460 -7.731 732 1HD2 LEU 96 1HD2 LEU 96 -3.297 0.047 -6.808 733 2HD2 LEU 96 2HD2 LEU 96 -2.048 1.250 -7.129 734 3HD2 LEU 96 3HD2 LEU 96 -2.851 1.209 -5.560 735 H VAL 97 H VAL 97 -5.141 -1.064 -3.315 736 HA VAL 97 HA VAL 97 -4.706 -3.081 -1.220 737 HB VAL 97 HB VAL 97 -5.970 -1.242 -0.357 738 1HG1 VAL 97 1HG1 VAL 97 -8.100 -0.514 -1.302 739 2HG1 VAL 97 2HG1 VAL 97 -7.892 -1.642 -2.644 740 3HG1 VAL 97 3HG1 VAL 97 -6.774 -0.290 -2.447 741 1HG2 VAL 97 1HG2 VAL 97 -6.671 -3.432 0.410 742 2HG2 VAL 97 2HG2 VAL 97 -7.802 -3.566 -0.938 743 3HG2 VAL 97 3HG2 VAL 97 -8.057 -2.347 0.311 744 H PHE 98 H PHE 98 -5.116 -5.109 -1.646 745 HA PHE 98 HA PHE 98 -7.058 -5.757 -3.764 746 1HB PHE 98 1HB PHE 98 -4.868 -7.553 -2.710 747 2HB PHE 98 2HB PHE 98 -5.915 -7.862 -4.084 748 HD1 PHE 98 HD1 PHE 98 -2.972 -6.076 -2.891 749 HD2 PHE 98 HD2 PHE 98 -5.561 -6.731 -6.201 750 HE1 PHE 98 HE1 PHE 98 -1.309 -5.055 -4.388 751 HE2 PHE 98 HE2 PHE 98 -3.904 -5.711 -7.705 752 HZ PHE 98 HZ PHE 98 -1.774 -4.870 -6.801 753 H THR 99 H THR 99 -8.872 -6.565 -3.054 754 HA THR 99 HA THR 99 -9.053 -7.385 -0.247 755 HB THR 99 HB THR 99 -11.442 -6.801 -1.969 756 HG1 THR 99 HG1 THR 99 -9.549 -4.942 -0.956 757 1HG2 THR 99 1HG2 THR 99 -11.931 -7.483 0.290 758 2HG2 THR 99 2HG2 THR 99 -12.236 -5.754 0.172 759 3HG2 THR 99 3HG2 THR 99 -10.761 -6.339 0.939 760 H GLY 100 H GLY 100 -11.107 -8.989 -0.005 761 1HA GLY 100 1HA GLY 100 -10.643 -11.446 -1.188 762 2HA GLY 100 2HA GLY 100 -12.206 -10.936 -0.560 763 H GLY 101 H GLY 101 -12.396 -8.693 -2.440 764 1HA GLY 101 1HA GLY 101 -13.122 -10.178 -4.858 765 2HA GLY 101 2HA GLY 101 -13.628 -8.540 -4.460 766 H ASN 102 H ASN 102 -10.321 -9.525 -4.113 767 HA ASN 102 HA ASN 102 -8.408 -9.084 -5.187 768 1HB ASN 102 1HB ASN 102 -9.925 -10.027 -7.145 769 2HB ASN 102 2HB ASN 102 -9.765 -8.377 -7.728 770 1HD2 ASN 102 1HD2 ASN 102 -7.398 -10.264 -5.930 771 2HD2 ASN 102 2HD2 ASN 102 -6.207 -10.294 -7.195 772 H TYR 103 H TYR 103 -8.026 -7.189 -7.354 773 HA TYR 103 HA TYR 103 -7.240 -4.997 -5.905 774 1HB TYR 103 1HB TYR 103 -6.427 -5.496 -8.166 775 2HB TYR 103 2HB TYR 103 -7.993 -5.051 -8.835 776 HD1 TYR 103 HD1 TYR 103 -8.311 -2.876 -9.597 777 HD2 TYR 103 HD2 TYR 103 -5.239 -3.638 -6.747 778 HE1 TYR 103 HE1 TYR 103 -7.553 -0.544 -9.799 779 HE2 TYR 103 HE2 TYR 103 -4.478 -1.311 -6.938 780 HH TYR 103 HH TYR 103 -6.302 1.101 -8.520 781 H ARG 104 H ARG 104 -8.183 -3.343 -5.014 782 HA ARG 104 HA ARG 104 -11.028 -2.858 -5.585 783 1HB ARG 104 1HB ARG 104 -9.900 -3.391 -3.222 784 2HB ARG 104 2HB ARG 104 -9.641 -1.654 -3.238 785 1HG ARG 104 1HG ARG 104 -11.662 -2.107 -2.063 786 2HG ARG 104 2HG ARG 104 -12.080 -1.356 -3.607 787 1HD ARG 104 1HD ARG 104 -12.941 -3.306 -4.478 788 2HD ARG 104 2HD ARG 104 -11.964 -4.330 -3.423 789 HE ARG 104 HE ARG 104 -14.049 -2.708 -2.175 790 1HH1 ARG 104 1HH1 ARG 104 -13.032 -5.826 -3.375 791 2HH1 ARG 104 2HH1 ARG 104 -14.124 -6.728 -2.362 792 1HH2 ARG 104 1HH2 ARG 104 -15.474 -3.879 -0.817 793 2HH2 ARG 104 2HH2 ARG 104 -15.504 -5.615 -0.891 794 H GLY 105 H GLY 105 -8.121 -1.036 -4.618 795 1HA GLY 105 1HA GLY 105 -8.304 0.883 -6.681 796 2HA GLY 105 2HA GLY 105 -9.069 1.513 -5.227 797 H VAL 106 H VAL 106 -7.404 3.149 -5.211 798 HA VAL 106 HA VAL 106 -4.903 2.159 -4.042 799 HB VAL 106 HB VAL 106 -4.384 2.693 -6.352 800 1HG1 VAL 106 1HG1 VAL 106 -4.686 4.955 -7.258 801 2HG1 VAL 106 2HG1 VAL 106 -5.543 5.417 -5.786 802 3HG1 VAL 106 3HG1 VAL 106 -6.226 4.191 -6.855 803 1HG2 VAL 106 1HG2 VAL 106 -2.637 4.381 -6.010 804 2HG2 VAL 106 2HG2 VAL 106 -2.699 3.233 -4.673 805 3HG2 VAL 106 3HG2 VAL 106 -3.389 4.844 -4.485 806 H LEU 107 H LEU 107 -4.303 3.197 -2.223 807 HA LEU 107 HA LEU 107 -5.807 5.524 -1.348 808 1HB LEU 107 1HB LEU 107 -3.758 3.772 0.006 809 2HB LEU 107 2HB LEU 107 -4.493 5.167 0.769 810 HG LEU 107 HG LEU 107 -5.573 3.198 1.562 811 1HD1 LEU 107 1HD1 LEU 107 -7.007 5.119 1.236 812 2HD1 LEU 107 2HD1 LEU 107 -7.895 3.622 0.949 813 3HD1 LEU 107 3HD1 LEU 107 -7.349 4.599 -0.416 814 1HD2 LEU 107 1HD2 LEU 107 -6.137 2.479 -1.297 815 2HD2 LEU 107 2HD2 LEU 107 -6.771 1.636 0.118 816 3HD2 LEU 107 3HD2 LEU 107 -5.036 1.643 -0.201 817 H ASN 108 H ASN 108 -5.083 7.493 -1.836 818 HA ASN 108 HA ASN 108 -2.290 8.141 -1.437 819 1HB ASN 108 1HB ASN 108 -1.978 9.167 -3.626 820 2HB ASN 108 2HB ASN 108 -2.356 7.459 -3.812 821 1HD2 ASN 108 1HD2 ASN 108 -3.382 10.698 -4.403 822 2HD2 ASN 108 2HD2 ASN 108 -4.760 10.309 -5.370 823 H GLY 109 H GLY 109 -1.906 10.424 -1.282 824 1HA GLY 109 1HA GLY 109 -2.900 12.689 -1.404 825 2HA GLY 109 2HA GLY 109 -4.383 11.971 -0.797 826 H ILE 110 H ILE 110 -1.040 12.718 0.027 827 HA ILE 110 HA ILE 110 -1.434 11.948 2.781 828 HB ILE 110 HB ILE 110 0.986 13.251 1.527 829 1HG1 ILE 110 1HG1 ILE 110 0.511 11.157 0.396 830 2HG1 ILE 110 2HG1 ILE 110 1.902 10.940 1.451 831 1HG2 ILE 110 1HG2 ILE 110 0.690 11.691 4.097 832 2HG2 ILE 110 2HG2 ILE 110 0.909 13.435 3.964 833 3HG2 ILE 110 3HG2 ILE 110 2.195 12.346 3.447 834 1HD1 ILE 110 1HD1 ILE 110 -0.912 10.067 2.032 835 2HD1 ILE 110 2HD1 ILE 110 0.471 9.872 3.113 836 3HD1 ILE 110 3HD1 ILE 110 0.433 9.028 1.563 837 H HIS 111 H HIS 111 -3.155 13.543 3.148 838 HA HIS 111 HA HIS 111 -1.997 15.728 4.610 839 1HB HIS 111 1HB HIS 111 -3.775 16.302 2.251 840 2HB HIS 111 2HB HIS 111 -3.759 17.376 3.643 841 HD1 HIS 111 HD1 HIS 111 -0.959 17.879 4.291 842 HD2 HIS 111 HD2 HIS 111 -2.170 17.308 0.355 843 HE1 HIS 111 HE1 HIS 111 0.811 18.964 2.873 844 HE2 HIS 111 HE2 HIS 111 0.187 18.367 0.506 845 HA PRO 112 HA PRO 112 -6.382 15.137 6.114 846 1HB PRO 112 1HB PRO 112 -8.321 14.235 4.364 847 2HB PRO 112 2HB PRO 112 -7.890 15.922 4.632 848 1HG PRO 112 1HG PRO 112 -7.512 14.380 2.261 849 2HG PRO 112 2HG PRO 112 -6.996 16.047 2.557 850 1HD PRO 112 1HD PRO 112 -5.440 13.521 2.737 851 2HD PRO 112 2HD PRO 112 -4.886 15.168 2.362 852 H TRP 113 H TRP 113 -6.650 13.584 7.522 853 HA TRP 113 HA TRP 113 -6.169 10.823 6.786 854 1HB TRP 113 1HB TRP 113 -5.174 11.578 8.838 855 2HB TRP 113 2HB TRP 113 -6.718 12.169 9.436 856 HD1 TRP 113 HD1 TRP 113 -7.302 10.700 11.432 857 HE1 TRP 113 HE1 TRP 113 -7.411 8.172 11.905 858 HE3 TRP 113 HE3 TRP 113 -5.358 8.970 7.030 859 HZ2 TRP 113 HZ2 TRP 113 -6.761 5.764 10.580 860 HZ3 TRP 113 HZ3 TRP 113 -5.141 6.540 6.714 861 HH2 TRP 113 HH2 TRP 113 -5.832 4.974 8.451 862 H ALA 114 H ALA 114 -8.851 12.816 7.908 863 HA ALA 114 HA ALA 114 -10.756 10.782 8.240 864 1HB ALA 114 1HB ALA 114 -11.075 13.064 9.076 865 2HB ALA 114 2HB ALA 114 -12.431 12.538 8.078 866 3HB ALA 114 3HB ALA 114 -11.228 13.646 7.414 867 H GLU 115 H GLU 115 -9.967 12.794 5.421 868 HA GLU 115 HA GLU 115 -11.820 11.628 3.660 869 1HB GLU 115 1HB GLU 115 -9.275 13.168 3.276 870 2HB GLU 115 2HB GLU 115 -10.084 12.444 1.898 871 1HG GLU 115 1HG GLU 115 -10.733 14.738 2.082 872 2HG GLU 115 2HG GLU 115 -12.117 13.717 2.449 873 H LEU 116 H LEU 116 -8.476 10.779 4.467 874 HA LEU 116 HA LEU 116 -8.071 8.797 2.538 875 1HB LEU 116 1HB LEU 116 -6.449 9.842 4.273 876 2HB LEU 116 2HB LEU 116 -7.020 8.589 5.353 877 HG LEU 116 HG LEU 116 -4.854 8.077 4.238 878 1HD1 LEU 116 1HD1 LEU 116 -6.219 6.264 5.096 879 2HD1 LEU 116 2HD1 LEU 116 -5.404 5.779 3.608 880 3HD1 LEU 116 3HD1 LEU 116 -7.115 6.200 3.578 881 1HD2 LEU 116 1HD2 LEU 116 -5.313 9.115 2.081 882 2HD2 LEU 116 2HD2 LEU 116 -6.538 7.888 1.747 883 3HD2 LEU 116 3HD2 LEU 116 -4.844 7.426 1.898 884 H ILE 117 H ILE 117 -9.373 8.536 5.848 885 HA ILE 117 HA ILE 117 -9.981 5.791 5.777 886 HB ILE 117 HB ILE 117 -11.527 7.928 7.268 887 1HG1 ILE 117 1HG1 ILE 117 -9.129 6.321 8.176 888 2HG1 ILE 117 2HG1 ILE 117 -9.101 8.031 7.753 889 1HG2 ILE 117 1HG2 ILE 117 -12.095 6.106 8.795 890 2HG2 ILE 117 2HG2 ILE 117 -11.192 4.972 7.787 891 3HG2 ILE 117 3HG2 ILE 117 -12.644 5.754 7.157 892 1HD1 ILE 117 1HD1 ILE 117 -9.159 7.702 10.162 893 2HD1 ILE 117 2HD1 ILE 117 -10.668 6.803 10.013 894 3HD1 ILE 117 3HD1 ILE 117 -10.616 8.516 9.597 895 H ASN 118 H ASN 118 -11.832 8.640 4.834 896 HA ASN 118 HA ASN 118 -14.312 7.456 4.351 897 1HB ASN 118 1HB ASN 118 -13.689 9.938 4.361 898 2HB ASN 118 2HB ASN 118 -13.180 9.706 2.698 899 1HD2 ASN 118 1HD2 ASN 118 -14.755 11.113 1.918 900 2HD2 ASN 118 2HD2 ASN 118 -16.427 10.661 1.857 901 H LEU 119 H LEU 119 -11.645 8.107 2.126 902 HA LEU 119 HA LEU 119 -12.759 6.955 -0.171 903 1HB LEU 119 1HB LEU 119 -9.859 7.131 0.643 904 2HB LEU 119 2HB LEU 119 -10.431 6.773 -0.972 905 HG LEU 119 HG LEU 119 -10.874 9.362 0.513 906 1HD1 LEU 119 1HD1 LEU 119 -9.352 10.314 -1.141 907 2HD1 LEU 119 2HD1 LEU 119 -9.088 8.711 -1.826 908 3HD1 LEU 119 3HD1 LEU 119 -8.560 9.065 -0.182 909 1HD2 LEU 119 1HD2 LEU 119 -11.778 10.187 -1.595 910 2HD2 LEU 119 2HD2 LEU 119 -12.725 8.827 -0.992 911 3HD2 LEU 119 3HD2 LEU 119 -11.584 8.591 -2.316 912 H MET 120 H MET 120 -10.718 5.514 2.349 913 HA MET 120 HA MET 120 -10.529 2.950 1.208 914 1HB MET 120 1HB MET 120 -9.131 3.809 3.099 915 2HB MET 120 2HB MET 120 -10.525 3.615 4.156 916 1HG MET 120 1HG MET 120 -9.014 1.741 4.383 917 2HG MET 120 2HG MET 120 -10.545 1.218 3.684 918 1HE MET 120 1HE MET 120 -7.853 -0.524 3.620 919 2HE MET 120 2HE MET 120 -7.939 -1.152 1.972 920 3HE MET 120 3HE MET 120 -9.398 -1.055 2.958 921 H ARG 121 H ARG 121 -12.937 4.397 3.349 922 HA ARG 121 HA ARG 121 -14.456 2.074 3.847 923 1HB ARG 121 1HB ARG 121 -14.603 4.422 4.940 924 2HB ARG 121 2HB ARG 121 -15.652 4.834 3.594 925 1HG ARG 121 1HG ARG 121 -16.179 2.553 5.490 926 2HG ARG 121 2HG ARG 121 -16.824 4.177 5.700 927 1HD ARG 121 1HD ARG 121 -17.331 2.363 3.346 928 2HD ARG 121 2HD ARG 121 -18.455 2.676 4.666 929 HE ARG 121 HE ARG 121 -17.978 5.151 3.717 930 1HH1 ARG 121 1HH1 ARG 121 -18.852 2.166 2.125 931 2HH1 ARG 121 2HH1 ARG 121 -19.764 2.942 0.870 932 1HH2 ARG 121 1HH2 ARG 121 -19.163 6.186 2.054 933 2HH2 ARG 121 2HH2 ARG 121 -19.930 5.226 0.828 934 H GLY 122 H GLY 122 -14.599 4.486 1.276 935 1HA GLY 122 1HA GLY 122 -16.860 3.446 -0.065 936 2HA GLY 122 2HA GLY 122 -15.611 4.454 -0.786 937 H LEU 123 H LEU 123 -13.465 2.627 -0.130 938 HA LEU 123 HA LEU 123 -13.640 0.871 -2.367 939 1HB LEU 123 1HB LEU 123 -11.590 1.065 -0.161 940 2HB LEU 123 2HB LEU 123 -11.423 0.063 -1.588 941 HG LEU 123 HG LEU 123 -11.607 3.076 -1.577 942 1HD1 LEU 123 1HD1 LEU 123 -9.500 2.257 -0.663 943 2HD1 LEU 123 2HD1 LEU 123 -9.259 3.003 -2.244 944 3HD1 LEU 123 3HD1 LEU 123 -9.265 1.246 -2.089 945 1HD2 LEU 123 1HD2 LEU 123 -11.063 2.904 -3.957 946 2HD2 LEU 123 2HD2 LEU 123 -12.584 2.091 -3.589 947 3HD2 LEU 123 3HD2 LEU 123 -11.121 1.146 -3.845 948 H VAL 124 H VAL 124 -13.351 0.247 1.160 949 HA VAL 124 HA VAL 124 -13.574 -2.556 0.860 950 HB VAL 124 HB VAL 124 -13.970 -2.658 3.294 951 1HG1 VAL 124 1HG1 VAL 124 -11.773 -0.768 2.472 952 2HG1 VAL 124 2HG1 VAL 124 -11.699 -2.530 2.446 953 3HG1 VAL 124 3HG1 VAL 124 -11.841 -1.675 3.983 954 1HG2 VAL 124 1HG2 VAL 124 -15.346 -0.632 3.519 955 2HG2 VAL 124 2HG2 VAL 124 -13.924 0.357 3.192 956 3HG2 VAL 124 3HG2 VAL 124 -13.990 -0.638 4.646 957 H GLU 125 H GLU 125 -15.987 -0.072 1.599 958 HA GLU 125 HA GLU 125 -18.063 -2.114 1.135 959 1HB GLU 125 1HB GLU 125 -18.202 -0.975 3.325 960 2HB GLU 125 2HB GLU 125 -18.323 0.575 2.505 961 1HG GLU 125 1HG GLU 125 -20.424 -0.083 1.508 962 2HG GLU 125 2HG GLU 125 -20.297 -1.680 2.244 963 HA PRO 126 HA PRO 126 -17.883 0.087 -2.819 964 1HB PRO 126 1HB PRO 126 -19.825 -2.030 -3.540 965 2HB PRO 126 2HB PRO 126 -18.317 -1.567 -4.338 966 1HG PRO 126 1HG PRO 126 -18.492 -3.824 -2.920 967 2HG PRO 126 2HG PRO 126 -17.019 -2.836 -2.901 968 1HD PRO 126 1HD PRO 126 -19.186 -3.047 -0.848 969 2HD PRO 126 2HD PRO 126 -17.429 -2.922 -0.626 970 H GLN 127 H GLN 127 -19.186 1.580 -3.730 971 HA GLN 127 HA GLN 127 -21.675 2.148 -2.445 972 1HB GLN 127 1HB GLN 127 -21.657 4.050 -4.200 973 2HB GLN 127 2HB GLN 127 -20.546 4.094 -2.861 974 1HG GLN 127 1HG GLN 127 -19.350 4.784 -4.760 975 2HG GLN 127 2HG GLN 127 -18.802 3.156 -4.397 976 1HE2 GLN 127 1HE2 GLN 127 -20.588 5.165 -6.593 977 2HE2 GLN 127 2HE2 GLN 127 -20.661 4.026 -7.890 978 H GLN 128 H GLN 128 -20.664 0.433 -5.062 979 HA GLN 128 HA GLN 128 -21.670 -0.753 -6.707 980 1HB GLN 128 1HB GLN 128 -24.071 -0.555 -4.879 981 2HB GLN 128 2HB GLN 128 -23.836 -1.735 -6.160 982 1HG GLN 128 1HG GLN 128 -21.925 -2.664 -4.987 983 2HG GLN 128 2HG GLN 128 -22.105 -1.455 -3.716 984 1HE2 GLN 128 1HE2 GLN 128 -22.407 -2.971 -2.113 985 2HE2 GLN 128 2HE2 GLN 128 -23.849 -3.919 -1.967 986 H GLU 129 H GLU 129 -21.413 1.345 -7.879 987 HA GLU 129 HA GLU 129 -22.107 2.768 -9.492 988 1HB GLU 129 1HB GLU 129 -24.516 0.950 -9.526 989 2HB GLU 129 2HB GLU 129 -24.184 2.182 -10.734 990 1HG GLU 129 1HG GLU 129 -23.463 0.174 -11.690 991 2HG GLU 129 2HG GLU 129 -21.990 0.973 -11.149 992 H ARG 130 H ARG 130 -22.801 3.374 -6.706 993 HA ARG 130 HA ARG 130 -25.319 4.723 -6.693 994 1HB ARG 130 1HB ARG 130 -23.248 4.165 -4.823 995 2HB ARG 130 2HB ARG 130 -23.502 5.904 -4.827 996 1HG ARG 130 1HG ARG 130 -24.855 4.819 -3.130 997 2HG ARG 130 2HG ARG 130 -25.870 5.570 -4.362 998 1HD ARG 130 1HD ARG 130 -26.513 3.545 -5.259 999 2HD ARG 130 2HD ARG 130 -25.096 2.702 -4.636 1000 HE ARG 130 HE ARG 130 -27.198 3.667 -2.808 1001 1HH1 ARG 130 1HH1 ARG 130 -25.275 1.072 -4.154 1002 2HH1 ARG 130 2HH1 ARG 130 -25.790 -0.095 -2.969 1003 1HH2 ARG 130 1HH2 ARG 130 -27.868 2.145 -1.253 1004 2HH2 ARG 130 2HH2 ARG 130 -27.270 0.514 -1.326 1005 H ALA 131 H ALA 131 -25.708 6.956 -6.802 1006 HA ALA 131 HA ALA 131 -24.270 8.353 -8.781 1007 1HB ALA 131 1HB ALA 131 -25.733 10.242 -8.242 1008 2HB ALA 131 2HB ALA 131 -26.269 9.412 -6.780 1009 3HB ALA 131 3HB ALA 131 -26.650 8.739 -8.365 1010 H SER 132 H SER 132 -22.311 9.139 -8.541 1011 HA SER 132 HA SER 132 -21.708 10.959 -6.408 1012 1HB SER 132 1HB SER 132 -21.218 8.825 -5.307 1013 2HB SER 132 2HB SER 132 -20.148 8.371 -6.625 1014 HG SER 132 HG SER 132 -18.870 9.180 -5.014 Start of MODEL 19 1 1H MET 1 1H MET 1 17.779 7.885 -5.865 2 HA MET 1 HA MET 1 18.179 5.255 -6.843 3 1HB MET 1 1HB MET 1 18.279 5.631 -9.264 4 2HB MET 1 2HB MET 1 16.649 5.865 -8.651 5 1HG MET 1 1HG MET 1 16.888 8.252 -8.775 6 2HG MET 1 2HG MET 1 18.585 8.099 -9.225 7 1HE MET 1 1HE MET 1 18.520 5.653 -11.262 8 2HE MET 1 2HE MET 1 19.421 7.143 -11.545 9 3HE MET 1 3HE MET 1 18.353 6.511 -12.796 10 H SER 2 H SER 2 20.293 4.932 -7.606 11 HA SER 2 HA SER 2 22.509 5.312 -7.837 12 1HB SER 2 1HB SER 2 21.786 8.243 -8.085 13 2HB SER 2 2HB SER 2 23.333 7.510 -8.514 14 HG SER 2 HG SER 2 22.392 7.370 -10.410 15 H ASN 3 H ASN 3 20.710 6.294 -5.282 16 HA ASN 3 HA ASN 3 22.983 6.154 -3.546 17 1HB ASN 3 1HB ASN 3 22.668 8.248 -2.371 18 2HB ASN 3 2HB ASN 3 22.954 8.583 -4.071 19 1HD2 ASN 3 1HD2 ASN 3 21.667 10.138 -1.939 20 2HD2 ASN 3 2HD2 ASN 3 20.097 10.551 -2.544 21 H ASP 4 H ASP 4 22.444 5.220 -1.653 22 HA ASP 4 HA ASP 4 19.582 4.652 -1.267 23 1HB ASP 4 1HB ASP 4 22.015 3.206 -0.239 24 2HB ASP 4 2HB ASP 4 20.366 2.774 0.171 25 H THR 5 H THR 5 18.771 6.142 0.037 26 HA THR 5 HA THR 5 19.681 6.243 2.751 27 HB THR 5 HB THR 5 19.716 8.824 1.179 28 HG1 THR 5 HG1 THR 5 21.625 6.978 1.564 29 1HG2 THR 5 1HG2 THR 5 20.510 9.837 3.257 30 2HG2 THR 5 2HG2 THR 5 20.368 8.284 4.080 31 3HG2 THR 5 3HG2 THR 5 18.922 9.101 3.486 32 HA PRO 6 HA PRO 6 15.618 8.788 2.581 33 1HB PRO 6 1HB PRO 6 14.365 9.127 0.179 34 2HB PRO 6 2HB PRO 6 15.502 10.292 0.865 35 1HG PRO 6 1HG PRO 6 15.962 8.189 -1.213 36 2HG PRO 6 2HG PRO 6 16.552 9.861 -1.162 37 1HD PRO 6 1HD PRO 6 18.111 7.762 -0.499 38 2HD PRO 6 2HD PRO 6 18.263 9.344 0.291 39 H PHE 7 H PHE 7 15.143 6.791 -0.347 40 HA PHE 7 HA PHE 7 12.804 5.575 0.671 41 1HB PHE 7 1HB PHE 7 13.044 4.010 -1.271 42 2HB PHE 7 2HB PHE 7 13.058 5.715 -1.695 43 HD1 PHE 7 HD1 PHE 7 15.108 6.792 -2.456 44 HD2 PHE 7 HD2 PHE 7 14.961 2.627 -1.610 45 HE1 PHE 7 HE1 PHE 7 17.201 6.469 -3.710 46 HE2 PHE 7 HE2 PHE 7 17.056 2.295 -2.855 47 HZ PHE 7 HZ PHE 7 18.177 4.214 -3.908 48 H ASP 8 H ASP 8 16.171 4.688 0.737 49 HA ASP 8 HA ASP 8 16.078 2.059 1.640 50 1HB ASP 8 1HB ASP 8 18.164 3.234 1.129 51 2HB ASP 8 2HB ASP 8 17.925 4.298 2.494 52 H ALA 9 H ALA 9 16.259 5.001 3.575 53 HA ALA 9 HA ALA 9 15.770 3.808 6.072 54 1HB ALA 9 1HB ALA 9 16.657 6.082 5.826 55 2HB ALA 9 2HB ALA 9 15.238 6.048 6.875 56 3HB ALA 9 3HB ALA 9 15.093 6.624 5.215 57 H LEU 10 H LEU 10 13.556 5.158 3.680 58 HA LEU 10 HA LEU 10 11.178 4.987 5.115 59 1HB LEU 10 1HB LEU 10 11.962 5.338 2.366 60 2HB LEU 10 2HB LEU 10 10.552 4.301 2.467 61 HG LEU 10 HG LEU 10 9.850 6.582 2.167 62 1HD1 LEU 10 1HD1 LEU 10 8.464 5.159 3.574 63 2HD1 LEU 10 2HD1 LEU 10 8.405 6.834 4.121 64 3HD1 LEU 10 3HD1 LEU 10 9.382 5.654 4.996 65 1HD2 LEU 10 1HD2 LEU 10 11.389 7.191 4.690 66 2HD2 LEU 10 2HD2 LEU 10 10.372 8.320 3.791 67 3HD2 LEU 10 3HD2 LEU 10 11.844 7.685 3.058 68 H TRP 11 H TRP 11 12.713 2.540 3.037 69 HA TRP 11 HA TRP 11 10.675 0.609 3.375 70 1HB TRP 11 1HB TRP 11 12.649 0.699 1.650 71 2HB TRP 11 2HB TRP 11 13.529 -0.185 2.893 72 HD1 TRP 11 HD1 TRP 11 9.867 -0.975 2.641 73 HE1 TRP 11 HE1 TRP 11 9.534 -3.296 1.592 74 HE3 TRP 11 HE3 TRP 11 14.662 -1.858 1.099 75 HZ2 TRP 11 HZ2 TRP 11 11.091 -5.245 0.281 76 HZ3 TRP 11 HZ3 TRP 11 15.152 -3.981 -0.051 77 HH2 TRP 11 HH2 TRP 11 13.394 -5.638 -0.450 78 H GLN 12 H GLN 12 13.749 1.180 5.033 79 HA GLN 12 HA GLN 12 13.610 -0.963 6.820 80 1HB GLN 12 1HB GLN 12 14.886 1.753 7.101 81 2HB GLN 12 2HB GLN 12 15.134 0.433 8.225 82 1HG GLN 12 1HG GLN 12 15.863 0.462 5.311 83 2HG GLN 12 2HG GLN 12 16.974 0.557 6.676 84 1HE2 GLN 12 1HE2 GLN 12 15.545 -1.436 8.240 85 2HE2 GLN 12 2HE2 GLN 12 15.865 -2.972 7.505 86 H ARG 13 H ARG 13 12.109 2.232 6.945 87 HA ARG 13 HA ARG 13 11.155 2.104 9.588 88 1HB ARG 13 1HB ARG 13 9.956 3.464 7.170 89 2HB ARG 13 2HB ARG 13 9.395 3.701 8.814 90 1HG ARG 13 1HG ARG 13 12.097 4.426 7.715 91 2HG ARG 13 2HG ARG 13 10.798 5.532 8.155 92 1HD ARG 13 1HD ARG 13 10.978 4.793 10.490 93 2HD ARG 13 2HD ARG 13 12.294 3.711 10.037 94 HE ARG 13 HE ARG 13 12.410 6.663 9.924 95 1HH1 ARG 13 1HH1 ARG 13 13.969 3.532 10.228 96 2HH1 ARG 13 2HH1 ARG 13 15.552 4.211 10.463 97 1HH2 ARG 13 1HH2 ARG 13 14.486 7.545 10.250 98 2HH2 ARG 13 2HH2 ARG 13 15.848 6.487 10.470 99 H MET 14 H MET 14 9.530 1.280 6.537 100 HA MET 14 HA MET 14 7.179 0.281 7.689 101 1HB MET 14 1HB MET 14 8.480 -0.329 5.034 102 2HB MET 14 2HB MET 14 6.874 -0.885 5.484 103 1HG MET 14 1HG MET 14 6.219 1.495 5.809 104 2HG MET 14 2HG MET 14 7.792 1.964 5.167 105 1HE MET 14 1HE MET 14 8.550 1.551 2.649 106 2HE MET 14 2HE MET 14 7.594 0.628 1.488 107 3HE MET 14 3HE MET 14 8.282 -0.173 2.901 108 H LEU 15 H LEU 15 10.263 -1.250 7.016 109 HA LEU 15 HA LEU 15 9.464 -3.921 7.486 110 1HB LEU 15 1HB LEU 15 12.009 -2.455 7.288 111 2HB LEU 15 2HB LEU 15 12.067 -3.884 8.301 112 HG LEU 15 HG LEU 15 12.764 -4.332 5.980 113 1HD1 LEU 15 1HD1 LEU 15 11.827 -6.133 7.317 114 2HD1 LEU 15 2HD1 LEU 15 11.354 -6.305 5.627 115 3HD1 LEU 15 3HD1 LEU 15 10.200 -5.686 6.807 116 1HD2 LEU 15 1HD2 LEU 15 9.918 -3.624 5.300 117 2HD2 LEU 15 2HD2 LEU 15 11.083 -4.362 4.201 118 3HD2 LEU 15 3HD2 LEU 15 11.364 -2.734 4.819 119 H ALA 16 H ALA 16 10.558 -1.344 9.613 120 HA ALA 16 HA ALA 16 10.789 -2.911 11.964 121 1HB ALA 16 1HB ALA 16 10.879 -0.788 13.149 122 2HB ALA 16 2HB ALA 16 10.307 0.057 11.709 123 3HB ALA 16 3HB ALA 16 11.883 -0.731 11.699 124 H ARG 17 H ARG 17 8.099 -1.658 10.256 125 HA ARG 17 HA ARG 17 6.322 -1.628 12.541 126 1HB ARG 17 1HB ARG 17 5.664 -1.355 9.611 127 2HB ARG 17 2HB ARG 17 4.601 -0.975 10.954 128 1HG ARG 17 1HG ARG 17 7.164 0.424 10.232 129 2HG ARG 17 2HG ARG 17 5.528 1.040 10.009 130 1HD ARG 17 1HD ARG 17 6.747 0.342 12.675 131 2HD ARG 17 2HD ARG 17 6.691 1.960 11.989 132 HE ARG 17 HE ARG 17 4.196 1.671 12.017 133 1HH1 ARG 17 1HH1 ARG 17 6.281 -0.004 14.280 134 2HH1 ARG 17 2HH1 ARG 17 5.056 -0.150 15.496 135 1HH2 ARG 17 1HH2 ARG 17 2.583 1.471 13.605 136 2HH2 ARG 17 2HH2 ARG 17 2.935 0.677 15.110 137 H GLY 18 H GLY 18 7.615 -3.997 10.623 138 1HA GLY 18 1HA GLY 18 7.231 -6.284 10.899 139 2HA GLY 18 2HA GLY 18 5.681 -5.912 11.639 140 H TRP 19 H TRP 19 6.674 -4.600 8.543 141 HA TRP 19 HA TRP 19 4.501 -6.119 7.314 142 1HB TRP 19 1HB TRP 19 5.910 -3.600 6.402 143 2HB TRP 19 2HB TRP 19 4.659 -4.431 5.478 144 HD1 TRP 19 HD1 TRP 19 2.965 -5.053 8.313 145 HE1 TRP 19 HE1 TRP 19 1.501 -3.139 9.215 146 HE3 TRP 19 HE3 TRP 19 5.148 -1.134 5.855 147 HZ2 TRP 19 HZ2 TRP 19 1.295 -0.343 8.920 148 HZ3 TRP 19 HZ3 TRP 19 4.249 1.128 6.220 149 HH2 TRP 19 HH2 TRP 19 2.365 1.513 7.719 150 H THR 20 H THR 20 4.810 -7.393 5.559 151 HA THR 20 HA THR 20 7.464 -8.556 5.510 152 HB THR 20 HB THR 20 4.953 -9.544 4.156 153 HG1 THR 20 HG1 THR 20 5.581 -9.355 6.784 154 1HG2 THR 20 1HG2 THR 20 6.050 -11.736 4.318 155 2HG2 THR 20 2HG2 THR 20 7.468 -10.974 5.039 156 3HG2 THR 20 3HG2 THR 20 7.017 -10.605 3.374 157 HA PRO 21 HA PRO 21 8.321 -6.891 1.403 158 1HB PRO 21 1HB PRO 21 10.885 -7.685 1.300 159 2HB PRO 21 2HB PRO 21 10.380 -6.301 2.280 160 1HG PRO 21 1HG PRO 21 10.993 -9.102 3.118 161 2HG PRO 21 2HG PRO 21 11.397 -7.576 3.924 162 1HD PRO 21 1HD PRO 21 9.280 -9.202 4.625 163 2HD PRO 21 2HD PRO 21 9.371 -7.465 4.974 164 H VAL 22 H VAL 22 8.394 -7.847 -0.635 165 HA VAL 22 HA VAL 22 8.918 -10.702 -0.845 166 HB VAL 22 HB VAL 22 6.535 -10.595 -0.264 167 1HG1 VAL 22 1HG1 VAL 22 4.916 -9.619 -1.837 168 2HG1 VAL 22 2HG1 VAL 22 6.253 -8.939 -2.764 169 3HG1 VAL 22 3HG1 VAL 22 5.967 -8.409 -1.106 170 1HG2 VAL 22 1HG2 VAL 22 7.030 -11.407 -3.126 171 2HG2 VAL 22 2HG2 VAL 22 5.660 -11.912 -2.134 172 3HG2 VAL 22 3HG2 VAL 22 7.296 -12.402 -1.694 173 H SER 23 H SER 23 9.471 -11.377 -2.906 174 HA SER 23 HA SER 23 10.518 -9.383 -4.647 175 1HB SER 23 1HB SER 23 10.231 -12.343 -5.186 176 2HB SER 23 2HB SER 23 11.395 -11.230 -5.910 177 HG SER 23 HG SER 23 12.386 -11.010 -3.889 178 H GLU 24 H GLU 24 10.083 -9.283 -6.960 179 HA GLU 24 HA GLU 24 7.444 -8.645 -7.545 180 1HB GLU 24 1HB GLU 24 9.378 -7.756 -8.759 181 2HB GLU 24 2HB GLU 24 9.705 -9.343 -9.430 182 1HG GLU 24 1HG GLU 24 7.077 -8.024 -9.953 183 2HG GLU 24 2HG GLU 24 8.508 -7.534 -10.856 184 H SER 25 H SER 25 9.276 -11.465 -8.728 185 HA SER 25 HA SER 25 7.057 -12.551 -10.109 186 1HB SER 25 1HB SER 25 9.587 -13.963 -9.269 187 2HB SER 25 2HB SER 25 8.519 -14.384 -10.605 188 HG SER 25 HG SER 25 9.098 -11.962 -11.154 189 H ARG 26 H ARG 26 7.706 -12.493 -6.842 190 HA ARG 26 HA ARG 26 6.299 -15.028 -6.375 191 1HB ARG 26 1HB ARG 26 8.469 -14.869 -5.244 192 2HB ARG 26 2HB ARG 26 7.969 -13.376 -4.466 193 1HG ARG 26 1HG ARG 26 7.844 -15.240 -2.920 194 2HG ARG 26 2HG ARG 26 6.236 -14.587 -3.238 195 1HD ARG 26 1HD ARG 26 6.122 -16.993 -3.239 196 2HD ARG 26 2HD ARG 26 5.874 -16.410 -4.884 197 HE ARG 26 HE ARG 26 8.607 -16.989 -4.468 198 1HH1 ARG 26 1HH1 ARG 26 5.526 -18.655 -4.837 199 2HH1 ARG 26 2HH1 ARG 26 6.250 -20.058 -5.563 200 1HH2 ARG 26 1HH2 ARG 26 9.536 -18.847 -5.364 201 2HH2 ARG 26 2HH2 ARG 26 8.528 -20.185 -5.835 202 H LEU 27 H LEU 27 5.958 -11.642 -6.298 203 HA LEU 27 HA LEU 27 4.114 -11.278 -4.221 204 1HB LEU 27 1HB LEU 27 5.268 -9.462 -5.482 205 2HB LEU 27 2HB LEU 27 4.251 -9.806 -6.861 206 HG LEU 27 HG LEU 27 3.661 -7.786 -5.392 207 1HD1 LEU 27 1HD1 LEU 27 1.254 -8.131 -5.682 208 2HD1 LEU 27 2HD1 LEU 27 1.548 -9.840 -6.014 209 3HD1 LEU 27 3HD1 LEU 27 2.172 -8.606 -7.111 210 1HD2 LEU 27 1HD2 LEU 27 3.866 -8.842 -3.227 211 2HD2 LEU 27 2HD2 LEU 27 2.596 -9.994 -3.638 212 3HD2 LEU 27 3HD2 LEU 27 2.214 -8.279 -3.469 213 H ASP 28 H ASP 28 3.663 -12.208 -7.595 214 HA ASP 28 HA ASP 28 0.832 -12.151 -7.601 215 1HB ASP 28 1HB ASP 28 2.192 -12.182 -9.662 216 2HB ASP 28 2HB ASP 28 2.718 -13.821 -9.291 217 H ASP 29 H ASP 29 3.148 -14.749 -7.080 218 HA ASP 29 HA ASP 29 1.326 -16.869 -6.743 219 1HB ASP 29 1HB ASP 29 3.839 -16.966 -7.150 220 2HB ASP 29 2HB ASP 29 4.038 -16.636 -5.441 221 H TRP 30 H TRP 30 3.156 -14.999 -4.402 222 HA TRP 30 HA TRP 30 2.112 -16.007 -2.042 223 1HB TRP 30 1HB TRP 30 4.063 -14.527 -2.160 224 2HB TRP 30 2HB TRP 30 3.033 -13.188 -2.644 225 HD1 TRP 30 HD1 TRP 30 3.934 -15.317 0.413 226 HE1 TRP 30 HE1 TRP 30 3.203 -14.049 2.529 227 HE3 TRP 30 HE3 TRP 30 1.408 -11.452 -1.782 228 HZ2 TRP 30 HZ2 TRP 30 1.752 -11.717 3.184 229 HZ3 TRP 30 HZ3 TRP 30 0.378 -9.746 -0.339 230 HH2 TRP 30 HH2 TRP 30 0.547 -9.876 2.092 231 H LEU 31 H LEU 31 0.903 -13.352 -4.056 232 HA LEU 31 HA LEU 31 -1.120 -12.437 -2.353 233 1HB LEU 31 1HB LEU 31 -0.290 -11.261 -4.383 234 2HB LEU 31 2HB LEU 31 -1.132 -12.437 -5.374 235 HG LEU 31 HG LEU 31 -3.285 -11.682 -4.394 236 1HD1 LEU 31 1HD1 LEU 31 -3.347 -9.592 -3.125 237 2HD1 LEU 31 2HD1 LEU 31 -1.583 -9.558 -3.095 238 3HD1 LEU 31 3HD1 LEU 31 -2.454 -10.846 -2.264 239 1HD2 LEU 31 1HD2 LEU 31 -1.618 -9.504 -5.647 240 2HD2 LEU 31 2HD2 LEU 31 -3.381 -9.552 -5.587 241 3HD2 LEU 31 3HD2 LEU 31 -2.496 -10.766 -6.512 242 H THR 32 H THR 32 -1.207 -14.937 -4.871 243 HA THR 32 HA THR 32 -4.020 -15.358 -4.575 244 HB THR 32 HB THR 32 -2.743 -15.782 -6.708 245 HG1 THR 32 HG1 THR 32 -4.878 -16.632 -6.276 246 1HG2 THR 32 1HG2 THR 32 -0.842 -17.010 -5.801 247 2HG2 THR 32 2HG2 THR 32 -1.703 -17.990 -6.988 248 3HG2 THR 32 3HG2 THR 32 -1.917 -18.301 -5.267 249 H GLN 33 H GLN 33 -1.179 -16.628 -3.045 250 HA GLN 33 HA GLN 33 -2.501 -18.918 -1.905 251 1HB GLN 33 1HB GLN 33 0.147 -17.608 -1.276 252 2HB GLN 33 2HB GLN 33 -0.424 -19.094 -0.539 253 1HG GLN 33 1HG GLN 33 0.115 -18.674 -3.468 254 2HG GLN 33 2HG GLN 33 1.149 -19.542 -2.334 255 1HE2 GLN 33 1HE2 GLN 33 0.556 -21.582 -1.636 256 2HE2 GLN 33 2HE2 GLN 33 -0.706 -22.492 -2.400 257 H ALA 34 H ALA 34 -2.316 -15.598 -1.191 258 HA ALA 34 HA ALA 34 -3.036 -15.958 1.626 259 1HB ALA 34 1HB ALA 34 -1.327 -14.285 1.082 260 2HB ALA 34 2HB ALA 34 -2.753 -13.536 1.801 261 3HB ALA 34 3HB ALA 34 -2.484 -13.434 0.061 262 HA PRO 35 HA PRO 35 -7.357 -15.240 0.820 263 1HB PRO 35 1HB PRO 35 -8.128 -14.073 3.143 264 2HB PRO 35 2HB PRO 35 -7.748 -15.794 3.017 265 1HG PRO 35 1HG PRO 35 -6.051 -13.549 4.035 266 2HG PRO 35 2HG PRO 35 -6.266 -15.182 4.693 267 1HD PRO 35 1HD PRO 35 -4.114 -14.464 3.200 268 2HD PRO 35 2HD PRO 35 -4.771 -16.114 3.214 269 H ASP 36 H ASP 36 -5.233 -12.637 1.688 270 HA ASP 36 HA ASP 36 -6.676 -10.769 0.034 271 1HB ASP 36 1HB ASP 36 -7.706 -10.714 2.419 272 2HB ASP 36 2HB ASP 36 -6.198 -9.942 2.895 273 H GLY 37 H GLY 37 -5.358 -8.423 0.706 274 1HA GLY 37 1HA GLY 37 -2.715 -8.503 1.401 275 2HA GLY 37 2HA GLY 37 -2.721 -9.072 -0.258 276 H VAL 38 H VAL 38 -2.084 -6.479 1.484 277 HA VAL 38 HA VAL 38 -2.833 -4.660 -0.716 278 HB VAL 38 HB VAL 38 -2.777 -2.779 0.913 279 1HG1 VAL 38 1HG1 VAL 38 -4.954 -3.250 1.953 280 2HG1 VAL 38 2HG1 VAL 38 -4.774 -4.954 1.535 281 3HG1 VAL 38 3HG1 VAL 38 -4.909 -3.742 0.260 282 1HG2 VAL 38 1HG2 VAL 38 -2.649 -4.971 2.984 283 2HG2 VAL 38 2HG2 VAL 38 -2.921 -3.260 3.313 284 3HG2 VAL 38 3HG2 VAL 38 -1.382 -3.793 2.633 285 H VAL 39 H VAL 39 -1.211 -3.107 -1.329 286 HA VAL 39 HA VAL 39 1.485 -3.800 -0.373 287 HB VAL 39 HB VAL 39 0.713 -3.612 -3.295 288 1HG1 VAL 39 1HG1 VAL 39 2.957 -2.788 -2.907 289 2HG1 VAL 39 2HG1 VAL 39 3.015 -4.348 -3.729 290 3HG1 VAL 39 3HG1 VAL 39 3.362 -4.249 -2.002 291 1HG2 VAL 39 1HG2 VAL 39 1.254 -6.002 -3.401 292 2HG2 VAL 39 2HG2 VAL 39 -0.098 -5.681 -2.314 293 3HG2 VAL 39 3HG2 VAL 39 1.504 -6.016 -1.655 294 H LEU 40 H LEU 40 2.849 -2.091 -0.199 295 HA LEU 40 HA LEU 40 1.843 0.523 -1.055 296 1HB LEU 40 1HB LEU 40 4.069 -0.253 0.835 297 2HB LEU 40 2HB LEU 40 3.761 1.399 0.338 298 HG LEU 40 HG LEU 40 1.412 1.082 1.298 299 1HD1 LEU 40 1HD1 LEU 40 2.766 -1.261 2.624 300 2HD1 LEU 40 2HD1 LEU 40 1.424 -1.341 1.482 301 3HD1 LEU 40 3HD1 LEU 40 1.193 -0.592 3.062 302 1HD2 LEU 40 1HD2 LEU 40 2.171 1.588 3.567 303 2HD2 LEU 40 2HD2 LEU 40 3.100 2.467 2.352 304 3HD2 LEU 40 3HD2 LEU 40 3.796 1.050 3.142 305 H LEU 41 H LEU 41 2.677 1.533 -2.798 306 HA LEU 41 HA LEU 41 4.980 0.316 -4.134 307 1HB LEU 41 1HB LEU 41 2.664 0.958 -5.204 308 2HB LEU 41 2HB LEU 41 3.316 2.582 -5.208 309 HG LEU 41 HG LEU 41 3.549 1.447 -7.385 310 1HD1 LEU 41 1HD1 LEU 41 6.181 1.997 -6.026 311 2HD1 LEU 41 2HD1 LEU 41 5.137 3.193 -6.794 312 3HD1 LEU 41 3HD1 LEU 41 5.907 1.941 -7.768 313 1HD2 LEU 41 1HD2 LEU 41 5.363 -0.432 -5.885 314 2HD2 LEU 41 2HD2 LEU 41 5.147 -0.387 -7.634 315 3HD2 LEU 41 3HD2 LEU 41 3.797 -0.836 -6.590 316 H SER 42 H SER 42 6.947 1.267 -3.956 317 HA SER 42 HA SER 42 7.093 4.147 -3.614 318 1HB SER 42 1HB SER 42 7.033 3.109 -1.311 319 2HB SER 42 2HB SER 42 8.553 2.310 -1.707 320 HG SER 42 HG SER 42 8.669 4.404 -0.571 321 H SER 43 H SER 43 8.229 4.589 -5.389 322 HA SER 43 HA SER 43 10.924 3.493 -5.579 323 1HB SER 43 1HB SER 43 9.033 3.606 -7.947 324 2HB SER 43 2HB SER 43 10.716 3.083 -7.984 325 HG SER 43 HG SER 43 9.986 1.458 -6.359 326 H ASP 44 H ASP 44 11.774 5.409 -4.967 327 HA ASP 44 HA ASP 44 12.291 7.622 -4.910 328 1HB ASP 44 1HB ASP 44 12.650 6.706 -7.702 329 2HB ASP 44 2HB ASP 44 12.745 8.442 -7.423 330 HA PRO 45 HA PRO 45 8.057 9.236 -5.952 331 1HB PRO 45 1HB PRO 45 8.154 10.166 -3.164 332 2HB PRO 45 2HB PRO 45 6.912 9.214 -3.985 333 1HG PRO 45 1HG PRO 45 8.512 8.122 -2.129 334 2HG PRO 45 2HG PRO 45 7.977 7.205 -3.552 335 1HD PRO 45 1HD PRO 45 10.604 8.578 -3.066 336 2HD PRO 45 2HD PRO 45 10.286 6.966 -3.744 337 H LYS 46 H LYS 46 7.827 11.241 -6.736 338 HA LYS 46 HA LYS 46 9.882 13.214 -6.017 339 1HB LYS 46 1HB LYS 46 9.954 12.328 -8.336 340 2HB LYS 46 2HB LYS 46 8.341 12.971 -8.596 341 1HG LYS 46 1HG LYS 46 9.120 15.212 -8.368 342 2HG LYS 46 2HG LYS 46 10.718 14.655 -7.858 343 1HD LYS 46 1HD LYS 46 11.035 13.593 -10.042 344 2HD LYS 46 2HD LYS 46 9.447 14.174 -10.551 345 1HE LYS 46 1HE LYS 46 10.171 16.453 -10.402 346 2HE LYS 46 2HE LYS 46 11.705 15.969 -9.679 347 1HZ LYS 46 1HZ LYS 46 12.310 14.869 -11.722 348 2HZ LYS 46 2HZ LYS 46 11.924 16.488 -12.041 349 3HZ LYS 46 3HZ LYS 46 10.816 15.265 -12.425 350 H ARG 47 H ARG 47 6.610 13.238 -7.449 351 HA ARG 47 HA ARG 47 6.024 15.838 -6.491 352 1HB ARG 47 1HB ARG 47 4.925 14.853 -8.471 353 2HB ARG 47 2HB ARG 47 4.122 13.680 -7.435 354 1HG ARG 47 1HG ARG 47 2.961 15.523 -6.288 355 2HG ARG 47 2HG ARG 47 3.728 16.667 -7.392 356 1HD ARG 47 1HD ARG 47 1.970 14.383 -8.283 357 2HD ARG 47 2HD ARG 47 1.389 16.024 -8.007 358 HE ARG 47 HE ARG 47 3.286 16.542 -9.750 359 1HH1 ARG 47 1HH1 ARG 47 1.017 13.875 -9.761 360 2HH1 ARG 47 2HH1 ARG 47 0.967 13.743 -11.495 361 1HH2 ARG 47 1HH2 ARG 47 3.178 16.416 -12.044 362 2HH2 ARG 47 2HH2 ARG 47 2.169 15.214 -12.790 363 H THR 48 H THR 48 5.718 12.677 -5.116 364 HA THR 48 HA THR 48 3.790 13.052 -3.159 365 HB THR 48 HB THR 48 6.349 11.493 -2.774 366 HG1 THR 48 HG1 THR 48 4.309 9.991 -3.680 367 1HG2 THR 48 1HG2 THR 48 3.544 11.105 -1.710 368 2HG2 THR 48 2HG2 THR 48 4.949 11.634 -0.783 369 3HG2 THR 48 3HG2 THR 48 4.893 10.000 -1.447 370 HA PRO 49 HA PRO 49 5.511 16.477 -0.925 371 1HB PRO 49 1HB PRO 49 3.694 15.526 1.220 372 2HB PRO 49 2HB PRO 49 3.809 17.118 0.461 373 1HG PRO 49 1HG PRO 49 1.791 15.472 -0.109 374 2HG PRO 49 2HG PRO 49 2.527 16.483 -1.365 375 1HD PRO 49 1HD PRO 49 2.878 13.564 -0.830 376 2HD PRO 49 2HD PRO 49 2.777 14.424 -2.380 377 H GLU 50 H GLU 50 5.057 13.391 0.771 378 HA GLU 50 HA GLU 50 7.690 13.227 1.657 379 1HB GLU 50 1HB GLU 50 7.385 13.524 4.072 380 2HB GLU 50 2HB GLU 50 7.101 15.019 3.198 381 1HG GLU 50 1HG GLU 50 4.686 14.659 3.393 382 2HG GLU 50 2HG GLU 50 4.996 13.181 4.306 383 H VAL 51 H VAL 51 8.000 11.202 1.672 384 HA VAL 51 HA VAL 51 5.813 9.319 1.773 385 HB VAL 51 HB VAL 51 8.729 8.621 1.521 386 1HG1 VAL 51 1HG1 VAL 51 7.871 6.765 0.165 387 2HG1 VAL 51 2HG1 VAL 51 6.223 7.340 0.432 388 3HG1 VAL 51 3HG1 VAL 51 7.187 6.761 1.790 389 1HG2 VAL 51 1HG2 VAL 51 8.323 10.418 -0.054 390 2HG2 VAL 51 2HG2 VAL 51 6.901 9.582 -0.678 391 3HG2 VAL 51 3HG2 VAL 51 8.506 8.892 -0.913 392 H SER 52 H SER 52 8.237 10.499 3.898 393 HA SER 52 HA SER 52 8.695 8.165 5.426 394 1HB SER 52 1HB SER 52 10.286 10.035 5.295 395 2HB SER 52 2HB SER 52 9.150 11.051 6.179 396 HG SER 52 HG SER 52 9.379 8.957 7.662 397 H ASP 53 H ASP 53 5.898 9.942 5.290 398 HA ASP 53 HA ASP 53 5.332 9.920 8.134 399 1HB ASP 53 1HB ASP 53 4.493 11.617 6.269 400 2HB ASP 53 2HB ASP 53 3.195 10.437 6.111 401 H ASN 54 H ASN 54 2.682 9.215 8.224 402 HA ASN 54 HA ASN 54 1.312 7.443 8.547 403 1HB ASN 54 1HB ASN 54 1.202 7.371 6.116 404 2HB ASN 54 2HB ASN 54 2.656 6.378 6.057 405 1HD2 ASN 54 1HD2 ASN 54 1.628 4.725 5.003 406 2HD2 ASN 54 2HD2 ASN 54 0.479 3.694 5.776 407 HA PRO 55 HA PRO 55 4.466 4.754 10.478 408 1HB PRO 55 1HB PRO 55 4.209 5.725 13.037 409 2HB PRO 55 2HB PRO 55 5.401 6.281 11.864 410 1HG PRO 55 1HG PRO 55 3.130 7.703 12.929 411 2HG PRO 55 2HG PRO 55 4.386 8.298 11.832 412 1HD PRO 55 1HD PRO 55 1.658 7.390 11.231 413 2HD PRO 55 2HD PRO 55 2.766 8.359 10.238 414 H VAL 56 H VAL 56 1.317 5.733 11.824 415 HA VAL 56 HA VAL 56 1.010 3.005 12.886 416 HB VAL 56 HB VAL 56 0.201 5.559 14.282 417 1HG1 VAL 56 1HG1 VAL 56 -1.368 3.774 14.742 418 2HG1 VAL 56 2HG1 VAL 56 -0.385 4.118 16.167 419 3HG1 VAL 56 3HG1 VAL 56 -0.041 2.697 15.182 420 1HG2 VAL 56 1HG2 VAL 56 2.358 3.569 14.973 421 2HG2 VAL 56 2HG2 VAL 56 1.895 4.972 15.937 422 3HG2 VAL 56 3HG2 VAL 56 2.613 5.193 14.340 423 H MET 57 H MET 57 -0.565 5.781 11.430 424 HA MET 57 HA MET 57 -3.170 5.281 12.259 425 1HB MET 57 1HB MET 57 -3.893 6.803 10.489 426 2HB MET 57 2HB MET 57 -2.520 7.433 11.387 427 1HG MET 57 1HG MET 57 -1.043 6.674 9.536 428 2HG MET 57 2HG MET 57 -2.493 6.228 8.631 429 1HE MET 57 1HE MET 57 -0.328 8.199 7.441 430 2HE MET 57 2HE MET 57 -1.346 9.477 6.778 431 3HE MET 57 3HE MET 57 -1.817 7.786 6.594 432 H ILE 58 H ILE 58 -1.466 3.878 9.507 433 HA ILE 58 HA ILE 58 -3.762 2.833 8.232 434 HB ILE 58 HB ILE 58 -0.857 2.056 8.143 435 1HG1 ILE 58 1HG1 ILE 58 -1.506 4.090 6.973 436 2HG1 ILE 58 2HG1 ILE 58 -1.086 2.840 5.805 437 1HG2 ILE 58 1HG2 ILE 58 -1.371 0.463 6.353 438 2HG2 ILE 58 2HG2 ILE 58 -3.094 0.707 6.631 439 3HG2 ILE 58 3HG2 ILE 58 -2.096 -0.029 7.884 440 1HD1 ILE 58 1HD1 ILE 58 -3.460 2.415 5.424 441 2HD1 ILE 58 2HD1 ILE 58 -3.040 4.096 5.104 442 3HD1 ILE 58 3HD1 ILE 58 -3.872 3.663 6.598 443 H GLY 59 H GLY 59 -1.716 1.591 10.830 444 1HA GLY 59 1HA GLY 59 -2.728 -1.038 10.892 445 2HA GLY 59 2HA GLY 59 -1.967 -0.203 12.240 446 H GLU 60 H GLU 60 -3.752 1.913 12.542 447 HA GLU 60 HA GLU 60 -5.856 0.668 14.004 448 1HB GLU 60 1HB GLU 60 -5.522 3.585 13.282 449 2HB GLU 60 2HB GLU 60 -6.522 2.932 14.570 450 1HG GLU 60 1HG GLU 60 -3.527 2.735 14.429 451 2HG GLU 60 2HG GLU 60 -4.430 3.898 15.398 452 H LEU 61 H LEU 61 -5.541 2.072 10.844 453 HA LEU 61 HA LEU 61 -8.291 2.454 10.278 454 1HB LEU 61 1HB LEU 61 -6.426 3.518 9.046 455 2HB LEU 61 2HB LEU 61 -5.994 1.956 8.382 456 HG LEU 61 HG LEU 61 -8.088 1.856 7.151 457 1HD1 LEU 61 1HD1 LEU 61 -9.493 3.067 8.755 458 2HD1 LEU 61 2HD1 LEU 61 -9.640 3.727 7.126 459 3HD1 LEU 61 3HD1 LEU 61 -8.668 4.570 8.336 460 1HD2 LEU 61 1HD2 LEU 61 -6.600 4.461 6.818 461 2HD2 LEU 61 2HD2 LEU 61 -7.688 3.754 5.622 462 3HD2 LEU 61 3HD2 LEU 61 -6.203 2.914 6.067 463 H LEU 62 H LEU 62 -6.089 -0.247 9.898 464 HA LEU 62 HA LEU 62 -7.725 -1.971 8.416 465 1HB LEU 62 1HB LEU 62 -5.382 -2.255 10.197 466 2HB LEU 62 2HB LEU 62 -6.338 -3.702 9.953 467 HG LEU 62 HG LEU 62 -5.937 -3.661 7.586 468 1HD1 LEU 62 1HD1 LEU 62 -4.566 -1.950 6.512 469 2HD1 LEU 62 2HD1 LEU 62 -4.495 -1.053 8.028 470 3HD1 LEU 62 3HD1 LEU 62 -6.036 -1.262 7.199 471 1HD2 LEU 62 1HD2 LEU 62 -4.201 -4.665 8.964 472 2HD2 LEU 62 2HD2 LEU 62 -3.387 -3.106 9.095 473 3HD2 LEU 62 3HD2 LEU 62 -3.507 -3.910 7.529 474 H ARG 63 H ARG 63 -7.845 -1.026 11.736 475 HA ARG 63 HA ARG 63 -9.165 -3.237 12.852 476 1HB ARG 63 1HB ARG 63 -9.036 -0.348 13.665 477 2HB ARG 63 2HB ARG 63 -9.911 -1.549 14.605 478 1HG ARG 63 1HG ARG 63 -7.841 -2.835 14.865 479 2HG ARG 63 2HG ARG 63 -6.974 -1.596 13.956 480 1HD ARG 63 1HD ARG 63 -7.343 0.026 15.630 481 2HD ARG 63 2HD ARG 63 -8.539 -0.982 16.442 482 HE ARG 63 HE ARG 63 -5.872 -2.103 16.287 483 1HH1 ARG 63 1HH1 ARG 63 -8.105 -0.150 18.159 484 2HH1 ARG 63 2HH1 ARG 63 -7.345 -0.524 19.679 485 1HH2 ARG 63 1HH2 ARG 63 -4.879 -2.594 18.287 486 2HH2 ARG 63 2HH2 ARG 63 -5.521 -1.910 19.755 487 H GLU 64 H GLU 64 -10.382 -1.053 10.579 488 HA GLU 64 HA GLU 64 -13.071 -0.865 11.324 489 1HB GLU 64 1HB GLU 64 -11.819 -1.074 8.582 490 2HB GLU 64 2HB GLU 64 -13.525 -0.736 8.847 491 1HG GLU 64 1HG GLU 64 -11.178 0.952 9.661 492 2HG GLU 64 2HG GLU 64 -12.412 1.326 8.455 493 H PHE 65 H PHE 65 -11.230 -3.506 9.978 494 HA PHE 65 HA PHE 65 -13.586 -5.229 10.348 495 1HB PHE 65 1HB PHE 65 -11.551 -5.414 8.111 496 2HB PHE 65 2HB PHE 65 -12.780 -6.627 8.446 497 HD1 PHE 65 HD1 PHE 65 -12.091 -3.346 7.035 498 HD2 PHE 65 HD2 PHE 65 -15.133 -6.166 7.988 499 HE1 PHE 65 HE1 PHE 65 -13.661 -2.140 5.575 500 HE2 PHE 65 HE2 PHE 65 -16.706 -4.967 6.526 501 HZ PHE 65 HZ PHE 65 -15.973 -2.952 5.318 502 HA PRO 66 HA PRO 66 -10.135 -6.919 12.888 503 1HB PRO 66 1HB PRO 66 -12.218 -7.651 14.778 504 2HB PRO 66 2HB PRO 66 -10.855 -6.555 15.002 505 1HG PRO 66 1HG PRO 66 -13.440 -5.711 14.901 506 2HG PRO 66 2HG PRO 66 -12.067 -4.710 14.393 507 1HD PRO 66 1HD PRO 66 -13.990 -6.286 12.719 508 2HD PRO 66 2HD PRO 66 -13.314 -4.665 12.438 509 H ASP 67 H ASP 67 -13.133 -8.137 11.735 510 HA ASP 67 HA ASP 67 -12.592 -10.905 12.404 511 1HB ASP 67 1HB ASP 67 -14.887 -10.032 12.470 512 2HB ASP 67 2HB ASP 67 -14.801 -9.643 10.759 513 H TYR 68 H TYR 68 -11.691 -8.781 10.026 514 HA TYR 68 HA TYR 68 -11.229 -10.917 8.047 515 1HB TYR 68 1HB TYR 68 -12.940 -9.178 7.408 516 2HB TYR 68 2HB TYR 68 -11.668 -7.970 7.501 517 HD1 TYR 68 HD1 TYR 68 -12.154 -11.315 5.879 518 HD2 TYR 68 HD2 TYR 68 -10.836 -7.289 5.478 519 HE1 TYR 68 HE1 TYR 68 -11.654 -11.722 3.506 520 HE2 TYR 68 HE2 TYR 68 -10.326 -7.687 3.107 521 HH TYR 68 HH TYR 68 -9.845 -9.516 1.603 522 H THR 69 H THR 69 -9.087 -11.357 7.911 523 HA THR 69 HA THR 69 -7.223 -9.525 9.123 524 HB THR 69 HB THR 69 -7.003 -11.971 9.477 525 HG1 THR 69 HG1 THR 69 -5.174 -10.560 9.680 526 1HG2 THR 69 1HG2 THR 69 -6.148 -12.021 6.581 527 2HG2 THR 69 2HG2 THR 69 -7.617 -12.751 7.237 528 3HG2 THR 69 3HG2 THR 69 -6.036 -13.372 7.711 529 H TRP 70 H TRP 70 -5.274 -8.912 8.088 530 HA TRP 70 HA TRP 70 -5.654 -8.294 5.234 531 1HB TRP 70 1HB TRP 70 -4.588 -6.444 7.381 532 2HB TRP 70 2HB TRP 70 -4.668 -6.067 5.665 533 HD1 TRP 70 HD1 TRP 70 -6.858 -6.352 8.778 534 HE1 TRP 70 HE1 TRP 70 -9.143 -5.285 8.282 535 HE3 TRP 70 HE3 TRP 70 -6.310 -5.588 3.762 536 HZ2 TRP 70 HZ2 TRP 70 -10.534 -4.250 6.042 537 HZ3 TRP 70 HZ3 TRP 70 -8.156 -4.561 2.512 538 HH2 TRP 70 HH2 TRP 70 -10.229 -3.907 3.630 539 H GLN 71 H GLN 71 -4.009 -8.979 4.020 540 HA GLN 71 HA GLN 71 -1.457 -9.583 5.288 541 1HB GLN 71 1HB GLN 71 -2.854 -10.488 2.903 542 2HB GLN 71 2HB GLN 71 -1.179 -10.069 2.569 543 1HG GLN 71 1HG GLN 71 -1.128 -12.335 3.086 544 2HG GLN 71 2HG GLN 71 -0.574 -11.531 4.546 545 1HE2 GLN 71 1HE2 GLN 71 -1.749 -14.188 4.175 546 2HE2 GLN 71 2HE2 GLN 71 -3.138 -14.233 5.200 547 H VAL 72 H VAL 72 -0.394 -7.726 5.655 548 HA VAL 72 HA VAL 72 -0.308 -5.659 3.604 549 HB VAL 72 HB VAL 72 1.056 -5.625 6.299 550 1HG1 VAL 72 1HG1 VAL 72 0.312 -3.425 4.375 551 2HG1 VAL 72 2HG1 VAL 72 1.940 -4.009 4.719 552 3HG1 VAL 72 3HG1 VAL 72 1.014 -3.185 5.975 553 1HG2 VAL 72 1HG2 VAL 72 -1.348 -5.935 6.624 554 2HG2 VAL 72 2HG2 VAL 72 -1.674 -4.567 5.560 555 3HG2 VAL 72 3HG2 VAL 72 -0.857 -4.308 7.100 556 H ALA 73 H ALA 73 1.123 -5.877 2.042 557 HA ALA 73 HA ALA 73 3.772 -6.984 2.710 558 1HB ALA 73 1HB ALA 73 2.219 -7.421 0.161 559 2HB ALA 73 2HB ALA 73 2.486 -8.615 1.431 560 3HB ALA 73 3HB ALA 73 3.849 -8.008 0.489 561 H ILE 74 H ILE 74 5.530 -6.131 1.661 562 HA ILE 74 HA ILE 74 5.053 -3.791 -0.048 563 HB ILE 74 HB ILE 74 7.178 -2.818 1.006 564 1HG1 ILE 74 1HG1 ILE 74 6.418 -4.838 3.126 565 2HG1 ILE 74 2HG1 ILE 74 7.930 -4.772 2.227 566 1HG2 ILE 74 1HG2 ILE 74 4.629 -2.975 2.607 567 2HG2 ILE 74 2HG2 ILE 74 5.002 -1.822 1.325 568 3HG2 ILE 74 3HG2 ILE 74 5.900 -1.777 2.841 569 1HD1 ILE 74 1HD1 ILE 74 6.957 -2.736 4.215 570 2HD1 ILE 74 2HD1 ILE 74 8.464 -2.642 3.304 571 3HD1 ILE 74 3HD1 ILE 74 8.222 -3.935 4.477 572 H ALA 75 H ALA 75 6.464 -3.564 -1.752 573 HA ALA 75 HA ALA 75 7.941 -5.995 -2.379 574 1HB ALA 75 1HB ALA 75 7.189 -3.663 -4.132 575 2HB ALA 75 2HB ALA 75 6.308 -5.187 -3.999 576 3HB ALA 75 3HB ALA 75 7.940 -5.165 -4.670 577 H ASP 76 H ASP 76 10.040 -5.816 -3.463 578 HA ASP 76 HA ASP 76 11.906 -4.168 -2.164 579 1HB ASP 76 1HB ASP 76 12.165 -5.513 -4.862 580 2HB ASP 76 2HB ASP 76 13.492 -4.874 -3.905 581 H LEU 77 H LEU 77 13.110 -2.452 -2.945 582 HA LEU 77 HA LEU 77 11.609 -0.289 -3.767 583 1HB LEU 77 1HB LEU 77 14.594 -0.607 -4.046 584 2HB LEU 77 2HB LEU 77 13.707 0.899 -3.883 585 HG LEU 77 HG LEU 77 13.654 -1.204 -1.739 586 1HD1 LEU 77 1HD1 LEU 77 15.387 0.199 -0.593 587 2HD1 LEU 77 2HD1 LEU 77 15.666 0.990 -2.146 588 3HD1 LEU 77 3HD1 LEU 77 15.961 -0.738 -1.971 589 1HD2 LEU 77 1HD2 LEU 77 13.092 0.739 -0.324 590 2HD2 LEU 77 2HD2 LEU 77 11.912 0.455 -1.602 591 3HD2 LEU 77 3HD2 LEU 77 13.089 1.755 -1.765 592 H GLU 78 H GLU 78 13.860 -2.249 -5.686 593 HA GLU 78 HA GLU 78 13.344 -0.787 -8.096 594 1HB GLU 78 1HB GLU 78 14.733 -3.433 -7.681 595 2HB GLU 78 2HB GLU 78 14.756 -2.482 -9.162 596 1HG GLU 78 1HG GLU 78 15.897 -0.674 -7.988 597 2HG GLU 78 2HG GLU 78 15.859 -1.616 -6.498 598 H GLN 79 H GLN 79 12.375 -3.939 -6.808 599 HA GLN 79 HA GLN 79 11.205 -4.837 -9.230 600 1HB GLN 79 1HB GLN 79 11.233 -5.856 -6.422 601 2HB GLN 79 2HB GLN 79 10.185 -6.596 -7.624 602 1HG GLN 79 1HG GLN 79 12.046 -7.171 -8.999 603 2HG GLN 79 2HG GLN 79 13.150 -6.252 -7.974 604 1HE2 GLN 79 1HE2 GLN 79 13.831 -7.099 -6.058 605 2HE2 GLN 79 2HE2 GLN 79 13.548 -8.745 -5.591 606 H SER 80 H SER 80 9.960 -2.855 -6.705 607 HA SER 80 HA SER 80 7.225 -3.443 -6.935 608 1HB SER 80 1HB SER 80 6.956 -1.020 -6.159 609 2HB SER 80 2HB SER 80 7.902 -2.081 -5.115 610 HG SER 80 HG SER 80 8.705 0.099 -6.639 611 H GLU 81 H GLU 81 9.364 -1.447 -8.839 612 HA GLU 81 HA GLU 81 7.494 -0.170 -10.502 613 1HB GLU 81 1HB GLU 81 9.910 0.387 -10.310 614 2HB GLU 81 2HB GLU 81 10.300 -1.100 -11.143 615 1HG GLU 81 1HG GLU 81 8.492 0.827 -12.491 616 2HG GLU 81 2HG GLU 81 10.210 1.209 -12.398 617 H ALA 82 H ALA 82 9.243 -3.216 -10.804 618 HA ALA 82 HA ALA 82 8.183 -4.007 -13.294 619 1HB ALA 82 1HB ALA 82 10.201 -4.999 -12.309 620 2HB ALA 82 2HB ALA 82 9.017 -6.225 -12.763 621 3HB ALA 82 3HB ALA 82 9.211 -5.770 -11.070 622 H ILE 83 H ILE 83 7.109 -4.627 -9.971 623 HA ILE 83 HA ILE 83 4.951 -6.329 -10.577 624 HB ILE 83 HB ILE 83 5.306 -4.399 -8.280 625 1HG1 ILE 83 1HG1 ILE 83 5.692 -7.391 -8.501 626 2HG1 ILE 83 2HG1 ILE 83 6.973 -6.189 -8.390 627 1HG2 ILE 83 1HG2 ILE 83 3.247 -6.589 -8.599 628 2HG2 ILE 83 2HG2 ILE 83 2.930 -4.854 -8.585 629 3HG2 ILE 83 3HG2 ILE 83 3.533 -5.650 -7.131 630 1HD1 ILE 83 1HD1 ILE 83 6.235 -5.603 -6.150 631 2HD1 ILE 83 2HD1 ILE 83 6.610 -7.322 -6.274 632 3HD1 ILE 83 3HD1 ILE 83 4.931 -6.785 -6.264 633 H GLY 84 H GLY 84 5.113 -2.797 -10.234 634 1HA GLY 84 1HA GLY 84 2.417 -2.229 -10.747 635 2HA GLY 84 2HA GLY 84 3.759 -1.145 -11.085 636 H ASP 85 H ASP 85 5.143 -2.599 -12.968 637 HA ASP 85 HA ASP 85 3.791 -2.013 -15.360 638 1HB ASP 85 1HB ASP 85 6.239 -2.138 -15.187 639 2HB ASP 85 2HB ASP 85 6.139 -3.868 -14.898 640 H ARG 86 H ARG 86 4.291 -5.030 -13.622 641 HA ARG 86 HA ARG 86 3.229 -6.816 -15.471 642 1HB ARG 86 1HB ARG 86 4.434 -7.619 -13.552 643 2HB ARG 86 2HB ARG 86 3.255 -6.920 -12.452 644 1HG ARG 86 1HG ARG 86 1.573 -8.481 -13.209 645 2HG ARG 86 2HG ARG 86 2.690 -9.139 -14.404 646 1HD ARG 86 1HD ARG 86 4.119 -10.005 -12.694 647 2HD ARG 86 2HD ARG 86 3.199 -9.178 -11.433 648 HE ARG 86 HE ARG 86 1.610 -10.841 -11.525 649 1HH1 ARG 86 1HH1 ARG 86 3.793 -11.193 -14.244 650 2HH1 ARG 86 2HH1 ARG 86 3.171 -12.754 -14.691 651 1HH2 ARG 86 1HH2 ARG 86 0.795 -12.878 -12.116 652 2HH2 ARG 86 2HH2 ARG 86 1.476 -13.700 -13.491 653 H PHE 87 H PHE 87 1.612 -4.683 -13.225 654 HA PHE 87 HA PHE 87 -0.954 -5.977 -13.750 655 1HB PHE 87 1HB PHE 87 -0.229 -5.188 -11.436 656 2HB PHE 87 2HB PHE 87 -0.470 -3.548 -12.027 657 HD1 PHE 87 HD1 PHE 87 -2.108 -6.680 -11.092 658 HD2 PHE 87 HD2 PHE 87 -2.691 -2.678 -12.420 659 HE1 PHE 87 HE1 PHE 87 -4.494 -6.844 -10.525 660 HE2 PHE 87 HE2 PHE 87 -5.079 -2.838 -11.853 661 HZ PHE 87 HZ PHE 87 -5.985 -4.920 -10.904 662 H GLY 88 H GLY 88 0.642 -2.850 -14.171 663 1HA GLY 88 1HA GLY 88 0.257 -1.681 -16.286 664 2HA GLY 88 2HA GLY 88 -1.430 -2.163 -16.159 665 H VAL 89 H VAL 89 0.268 -1.139 -13.323 666 HA VAL 89 HA VAL 89 -1.515 1.154 -13.118 667 HB VAL 89 HB VAL 89 0.451 0.145 -11.055 668 1HG1 VAL 89 1HG1 VAL 89 -0.226 2.451 -10.712 669 2HG1 VAL 89 2HG1 VAL 89 -0.929 1.410 -9.473 670 3HG1 VAL 89 3HG1 VAL 89 -1.924 1.985 -10.811 671 1HG2 VAL 89 1HG2 VAL 89 -1.150 -1.608 -11.570 672 2HG2 VAL 89 2HG2 VAL 89 -2.485 -0.480 -11.339 673 3HG2 VAL 89 3HG2 VAL 89 -1.466 -0.934 -9.974 674 H PHE 90 H PHE 90 1.774 0.930 -11.859 675 HA PHE 90 HA PHE 90 3.567 2.313 -11.955 676 1HB PHE 90 1HB PHE 90 3.400 1.521 -14.377 677 2HB PHE 90 2HB PHE 90 2.606 3.048 -14.731 678 HD1 PHE 90 HD1 PHE 90 3.994 4.440 -15.891 679 HD2 PHE 90 HD2 PHE 90 5.616 2.105 -12.729 680 HE1 PHE 90 HE1 PHE 90 6.182 5.508 -16.236 681 HE2 PHE 90 HE2 PHE 90 7.809 3.170 -13.065 682 HZ PHE 90 HZ PHE 90 8.095 4.875 -14.819 683 H ARG 91 H ARG 91 3.950 4.832 -13.095 684 HA ARG 91 HA ARG 91 3.517 7.043 -12.918 685 1HB ARG 91 1HB ARG 91 1.456 6.459 -14.151 686 2HB ARG 91 2HB ARG 91 0.629 6.209 -12.618 687 1HG ARG 91 1HG ARG 91 1.447 8.682 -12.182 688 2HG ARG 91 2HG ARG 91 1.457 8.725 -13.948 689 1HD ARG 91 1HD ARG 91 -0.690 9.477 -13.144 690 2HD ARG 91 2HD ARG 91 -0.878 7.914 -13.941 691 HE ARG 91 HE ARG 91 -0.460 7.553 -11.165 692 1HH1 ARG 91 1HH1 ARG 91 -2.912 8.520 -13.472 693 2HH1 ARG 91 2HH1 ARG 91 -4.241 8.117 -12.428 694 1HH2 ARG 91 1HH2 ARG 91 -2.175 7.021 -9.787 695 2HH2 ARG 91 2HH2 ARG 91 -3.821 7.282 -10.305 696 H PHE 92 H PHE 92 4.690 6.891 -10.899 697 HA PHE 92 HA PHE 92 5.047 7.834 -8.876 698 1HB PHE 92 1HB PHE 92 2.148 8.624 -9.129 699 2HB PHE 92 2HB PHE 92 3.139 9.057 -7.740 700 HD1 PHE 92 HD1 PHE 92 2.357 9.763 -11.202 701 HD2 PHE 92 HD2 PHE 92 5.087 10.550 -8.031 702 HE1 PHE 92 HE1 PHE 92 3.199 11.729 -12.416 703 HE2 PHE 92 HE2 PHE 92 5.935 12.516 -9.242 704 HZ PHE 92 HZ PHE 92 4.991 13.108 -11.439 705 HA PRO 93 HA PRO 93 4.156 4.576 -5.990 706 1HB PRO 93 1HB PRO 93 5.307 6.366 -3.980 707 2HB PRO 93 2HB PRO 93 5.926 4.836 -4.600 708 1HG PRO 93 1HG PRO 93 7.114 7.174 -5.162 709 2HG PRO 93 2HG PRO 93 7.065 5.844 -6.336 710 1HD PRO 93 1HD PRO 93 5.339 8.293 -6.174 711 2HD PRO 93 2HD PRO 93 6.119 7.560 -7.593 712 H ALA 94 H ALA 94 2.546 4.088 -4.681 713 HA ALA 94 HA ALA 94 1.320 5.940 -2.865 714 1HB ALA 94 1HB ALA 94 -0.312 4.927 -5.202 715 2HB ALA 94 2HB ALA 94 0.187 6.597 -4.942 716 3HB ALA 94 3HB ALA 94 -0.935 5.828 -3.821 717 H THR 95 H THR 95 -0.843 4.694 -2.028 718 HA THR 95 HA THR 95 0.111 2.027 -1.319 719 HB THR 95 HB THR 95 -2.362 3.418 -0.277 720 HG1 THR 95 HG1 THR 95 0.270 3.997 0.134 721 1HG2 THR 95 1HG2 THR 95 -2.221 1.015 0.180 722 2HG2 THR 95 2HG2 THR 95 -2.025 1.954 1.660 723 3HG2 THR 95 3HG2 THR 95 -0.616 1.238 0.879 724 H LEU 96 H LEU 96 -0.625 0.252 -2.296 725 HA LEU 96 HA LEU 96 -2.960 0.499 -4.060 726 1HB LEU 96 1HB LEU 96 -0.949 -1.761 -3.926 727 2HB LEU 96 2HB LEU 96 -2.132 -1.466 -5.186 728 HG LEU 96 HG LEU 96 0.253 0.294 -4.600 729 1HD1 LEU 96 1HD1 LEU 96 -0.232 -1.676 -6.831 730 2HD1 LEU 96 2HD1 LEU 96 0.904 -1.875 -5.497 731 3HD1 LEU 96 3HD1 LEU 96 1.154 -0.595 -6.685 732 1HD2 LEU 96 1HD2 LEU 96 -1.766 0.375 -6.843 733 2HD2 LEU 96 2HD2 LEU 96 -0.328 1.388 -6.710 734 3HD2 LEU 96 3HD2 LEU 96 -1.626 1.541 -5.526 735 H VAL 97 H VAL 97 -4.834 -0.168 -3.180 736 HA VAL 97 HA VAL 97 -4.676 -2.197 -1.071 737 HB VAL 97 HB VAL 97 -5.731 -0.086 -0.391 738 1HG1 VAL 97 1HG1 VAL 97 -6.685 0.619 -2.504 739 2HG1 VAL 97 2HG1 VAL 97 -7.937 0.548 -1.261 740 3HG1 VAL 97 3HG1 VAL 97 -7.820 -0.732 -2.469 741 1HG2 VAL 97 1HG2 VAL 97 -7.742 -1.049 0.617 742 2HG2 VAL 97 2HG2 VAL 97 -6.374 -2.159 0.704 743 3HG2 VAL 97 3HG2 VAL 97 -7.645 -2.418 -0.494 744 H PHE 98 H PHE 98 -5.386 -4.153 -1.391 745 HA PHE 98 HA PHE 98 -7.249 -4.655 -3.616 746 1HB PHE 98 1HB PHE 98 -5.115 -6.563 -2.630 747 2HB PHE 98 2HB PHE 98 -6.153 -6.766 -4.035 748 HD1 PHE 98 HD1 PHE 98 -5.760 -5.407 -6.062 749 HD2 PHE 98 HD2 PHE 98 -3.130 -5.272 -2.727 750 HE1 PHE 98 HE1 PHE 98 -4.020 -4.390 -7.478 751 HE2 PHE 98 HE2 PHE 98 -1.388 -4.254 -4.129 752 HZ PHE 98 HZ PHE 98 -1.831 -3.812 -6.511 753 H THR 99 H THR 99 -8.832 -6.252 -3.215 754 HA THR 99 HA THR 99 -8.917 -7.301 -0.469 755 HB THR 99 HB THR 99 -11.417 -7.170 -0.589 756 HG1 THR 99 HG1 THR 99 -11.221 -6.803 -3.024 757 1HG2 THR 99 1HG2 THR 99 -9.974 -4.524 -0.791 758 2HG2 THR 99 2HG2 THR 99 -10.157 -5.498 0.669 759 3HG2 THR 99 3HG2 THR 99 -11.574 -4.775 -0.092 760 H GLY 100 H GLY 100 -9.021 -9.446 -0.406 761 1HA GLY 100 1HA GLY 100 -9.232 -11.629 -1.101 762 2HA GLY 100 2HA GLY 100 -10.535 -11.072 -2.141 763 H GLY 101 H GLY 101 -7.309 -9.803 -2.391 764 1HA GLY 101 1HA GLY 101 -5.604 -10.259 -3.901 765 2HA GLY 101 2HA GLY 101 -6.560 -11.583 -4.546 766 H ASN 102 H ASN 102 -8.603 -9.014 -4.469 767 HA ASN 102 HA ASN 102 -8.018 -8.404 -7.284 768 1HB ASN 102 1HB ASN 102 -10.563 -8.537 -5.733 769 2HB ASN 102 2HB ASN 102 -10.475 -7.506 -7.154 770 1HD2 ASN 102 1HD2 ASN 102 -10.105 -10.771 -5.999 771 2HD2 ASN 102 2HD2 ASN 102 -10.422 -11.557 -7.509 772 H TYR 103 H TYR 103 -8.018 -6.389 -8.045 773 HA TYR 103 HA TYR 103 -6.962 -4.401 -6.310 774 1HB TYR 103 1HB TYR 103 -6.133 -4.524 -8.557 775 2HB TYR 103 2HB TYR 103 -7.750 -4.349 -9.227 776 HD1 TYR 103 HD1 TYR 103 -8.507 -2.252 -9.876 777 HD2 TYR 103 HD2 TYR 103 -5.227 -2.510 -7.177 778 HE1 TYR 103 HE1 TYR 103 -8.192 0.179 -10.036 779 HE2 TYR 103 HE2 TYR 103 -4.905 -0.076 -7.330 780 HH TYR 103 HH TYR 103 -7.216 1.991 -8.795 781 H ARG 104 H ARG 104 -7.878 -2.649 -5.402 782 HA ARG 104 HA ARG 104 -10.715 -2.128 -6.014 783 1HB ARG 104 1HB ARG 104 -9.166 -1.617 -3.470 784 2HB ARG 104 2HB ARG 104 -10.815 -1.078 -3.752 785 1HG ARG 104 1HG ARG 104 -9.958 -3.961 -3.819 786 2HG ARG 104 2HG ARG 104 -10.599 -3.154 -2.391 787 1HD ARG 104 1HD ARG 104 -12.449 -4.244 -3.322 788 2HD ARG 104 2HD ARG 104 -12.625 -2.569 -3.835 789 HE ARG 104 HE ARG 104 -11.483 -3.467 -5.978 790 1HH1 ARG 104 1HH1 ARG 104 -13.756 -5.249 -3.986 791 2HH1 ARG 104 2HH1 ARG 104 -14.368 -6.195 -5.315 792 1HH2 ARG 104 1HH2 ARG 104 -12.301 -4.684 -7.718 793 2HH2 ARG 104 2HH2 ARG 104 -13.543 -5.869 -7.433 794 H GLY 105 H GLY 105 -7.912 -0.340 -4.684 795 1HA GLY 105 1HA GLY 105 -7.937 1.609 -6.750 796 2HA GLY 105 2HA GLY 105 -8.790 2.207 -5.335 797 H VAL 106 H VAL 106 -7.000 3.829 -5.468 798 HA VAL 106 HA VAL 106 -4.610 2.865 -4.091 799 HB VAL 106 HB VAL 106 -3.539 4.892 -5.148 800 1HG1 VAL 106 1HG1 VAL 106 -4.488 2.719 -6.998 801 2HG1 VAL 106 2HG1 VAL 106 -3.101 2.611 -5.915 802 3HG1 VAL 106 3HG1 VAL 106 -3.085 3.754 -7.259 803 1HG2 VAL 106 1HG2 VAL 106 -4.534 5.769 -7.192 804 2HG2 VAL 106 2HG2 VAL 106 -5.568 6.069 -5.796 805 3HG2 VAL 106 3HG2 VAL 106 -5.961 4.770 -6.919 806 H LEU 107 H LEU 107 -3.841 4.109 -2.380 807 HA LEU 107 HA LEU 107 -5.663 6.189 -1.395 808 1HB LEU 107 1HB LEU 107 -3.434 4.722 0.018 809 2HB LEU 107 2HB LEU 107 -4.374 6.005 0.738 810 HG LEU 107 HG LEU 107 -6.418 4.521 0.298 811 1HD1 LEU 107 1HD1 LEU 107 -5.978 2.120 0.235 812 2HD1 LEU 107 2HD1 LEU 107 -4.256 2.446 0.035 813 3HD1 LEU 107 3HD1 LEU 107 -5.397 2.934 -1.220 814 1HD2 LEU 107 1HD2 LEU 107 -5.504 4.964 2.511 815 2HD2 LEU 107 2HD2 LEU 107 -4.345 3.653 2.300 816 3HD2 LEU 107 3HD2 LEU 107 -6.069 3.299 2.376 817 H ASN 108 H ASN 108 -5.068 8.276 -1.218 818 HA ASN 108 HA ASN 108 -2.325 8.959 -2.059 819 1HB ASN 108 1HB ASN 108 -4.184 9.328 -3.781 820 2HB ASN 108 2HB ASN 108 -4.779 10.597 -2.720 821 1HD2 ASN 108 1HD2 ASN 108 -1.378 9.870 -3.206 822 2HD2 ASN 108 2HD2 ASN 108 -0.997 11.336 -4.033 823 H GLY 109 H GLY 109 -3.985 8.813 0.573 824 1HA GLY 109 1HA GLY 109 -3.764 11.585 1.475 825 2HA GLY 109 2HA GLY 109 -4.549 10.273 2.340 826 H ILE 110 H ILE 110 -1.928 12.257 2.342 827 HA ILE 110 HA ILE 110 -0.082 10.323 3.508 828 HB ILE 110 HB ILE 110 0.268 13.260 2.879 829 1HG1 ILE 110 1HG1 ILE 110 0.133 11.795 0.905 830 2HG1 ILE 110 2HG1 ILE 110 1.744 12.478 1.093 831 1HG2 ILE 110 1HG2 ILE 110 2.645 12.939 3.368 832 2HG2 ILE 110 2HG2 ILE 110 2.316 11.288 3.885 833 3HG2 ILE 110 3HG2 ILE 110 1.648 12.645 4.792 834 1HD1 ILE 110 1HD1 ILE 110 0.897 9.687 1.825 835 2HD1 ILE 110 2HD1 ILE 110 2.505 10.365 2.077 836 3HD1 ILE 110 3HD1 ILE 110 1.877 10.159 0.439 837 H HIS 111 H HIS 111 -2.063 13.072 4.463 838 HA HIS 111 HA HIS 111 -1.173 12.651 7.231 839 1HB HIS 111 1HB HIS 111 -1.721 15.256 5.832 840 2HB HIS 111 2HB HIS 111 -1.681 15.119 7.585 841 HD1 HIS 111 HD1 HIS 111 0.637 14.499 8.658 842 HD2 HIS 111 HD2 HIS 111 0.733 15.380 4.601 843 HE1 HIS 111 HE1 HIS 111 3.054 14.881 8.111 844 HE2 HIS 111 HE2 HIS 111 3.071 15.579 5.694 845 HA PRO 112 HA PRO 112 -5.755 14.327 7.500 846 1HB PRO 112 1HB PRO 112 -6.822 13.367 4.920 847 2HB PRO 112 2HB PRO 112 -7.160 14.864 5.785 848 1HG PRO 112 1HG PRO 112 -5.638 14.850 3.588 849 2HG PRO 112 2HG PRO 112 -5.292 15.934 4.949 850 1HD PRO 112 1HD PRO 112 -3.929 13.404 4.138 851 2HD PRO 112 2HD PRO 112 -3.240 14.888 4.830 852 H TRP 113 H TRP 113 -6.665 12.980 8.816 853 HA TRP 113 HA TRP 113 -6.443 10.128 8.402 854 1HB TRP 113 1HB TRP 113 -5.837 10.991 10.571 855 2HB TRP 113 2HB TRP 113 -7.392 11.792 10.738 856 HD1 TRP 113 HD1 TRP 113 -8.505 10.605 12.705 857 HE1 TRP 113 HE1 TRP 113 -9.056 8.167 13.312 858 HE3 TRP 113 HE3 TRP 113 -6.057 8.237 8.887 859 HZ2 TRP 113 HZ2 TRP 113 -8.532 5.586 12.307 860 HZ3 TRP 113 HZ3 TRP 113 -6.139 5.783 8.784 861 HH2 TRP 113 HH2 TRP 113 -7.355 4.488 10.452 862 H ALA 114 H ALA 114 -8.999 12.555 8.701 863 HA ALA 114 HA ALA 114 -11.157 10.708 8.704 864 1HB ALA 114 1HB ALA 114 -12.569 12.646 8.215 865 2HB ALA 114 2HB ALA 114 -11.134 13.610 7.869 866 3HB ALA 114 3HB ALA 114 -11.419 13.008 9.500 867 H GLU 115 H GLU 115 -9.424 12.452 6.185 868 HA GLU 115 HA GLU 115 -11.085 11.525 4.058 869 1HB GLU 115 1HB GLU 115 -9.771 13.578 3.835 870 2HB GLU 115 2HB GLU 115 -8.282 12.658 3.995 871 1HG GLU 115 1HG GLU 115 -8.601 11.600 1.906 872 2HG GLU 115 2HG GLU 115 -10.260 12.187 1.784 873 H LEU 116 H LEU 116 -8.162 10.362 5.628 874 HA LEU 116 HA LEU 116 -7.539 8.326 3.781 875 1HB LEU 116 1HB LEU 116 -6.067 9.145 5.649 876 2HB LEU 116 2HB LEU 116 -7.080 8.250 6.763 877 HG LEU 116 HG LEU 116 -6.478 6.155 5.589 878 1HD1 LEU 116 1HD1 LEU 116 -4.554 7.911 4.075 879 2HD1 LEU 116 2HD1 LEU 116 -5.986 7.134 3.400 880 3HD1 LEU 116 3HD1 LEU 116 -4.647 6.152 3.994 881 1HD2 LEU 116 1HD2 LEU 116 -4.153 7.793 6.586 882 2HD2 LEU 116 2HD2 LEU 116 -4.176 6.039 6.419 883 3HD2 LEU 116 3HD2 LEU 116 -5.252 6.829 7.573 884 H ILE 117 H ILE 117 -9.493 8.290 6.764 885 HA ILE 117 HA ILE 117 -10.398 5.637 6.593 886 HB ILE 117 HB ILE 117 -11.940 8.017 7.669 887 1HG1 ILE 117 1HG1 ILE 117 -10.103 6.077 9.091 888 2HG1 ILE 117 2HG1 ILE 117 -9.739 7.767 8.743 889 1HG2 ILE 117 1HG2 ILE 117 -12.242 5.067 8.208 890 2HG2 ILE 117 2HG2 ILE 117 -13.354 6.069 7.275 891 3HG2 ILE 117 3HG2 ILE 117 -13.148 6.354 9.004 892 1HD1 ILE 117 1HD1 ILE 117 -11.946 6.762 10.530 893 2HD1 ILE 117 2HD1 ILE 117 -11.585 8.454 10.186 894 3HD1 ILE 117 3HD1 ILE 117 -10.416 7.463 11.057 895 H ASN 118 H ASN 118 -11.706 8.647 5.295 896 HA ASN 118 HA ASN 118 -14.065 7.824 4.138 897 1HB ASN 118 1HB ASN 118 -13.220 10.149 4.226 898 2HB ASN 118 2HB ASN 118 -12.049 9.759 2.986 899 1HD2 ASN 118 1HD2 ASN 118 -12.668 9.632 0.882 900 2HD2 ASN 118 2HD2 ASN 118 -14.233 10.116 0.323 901 H LEU 119 H LEU 119 -10.931 8.039 2.519 902 HA LEU 119 HA LEU 119 -11.709 6.808 0.124 903 1HB LEU 119 1HB LEU 119 -8.974 6.897 1.408 904 2HB LEU 119 2HB LEU 119 -9.292 6.488 -0.263 905 HG LEU 119 HG LEU 119 -9.824 9.174 1.010 906 1HD1 LEU 119 1HD1 LEU 119 -7.685 8.275 -0.917 907 2HD1 LEU 119 2HD1 LEU 119 -7.451 8.751 0.767 908 3HD1 LEU 119 3HD1 LEU 119 -7.981 9.942 -0.422 909 1HD2 LEU 119 1HD2 LEU 119 -10.098 8.260 -1.852 910 2HD2 LEU 119 2HD2 LEU 119 -10.276 9.918 -1.279 911 3HD2 LEU 119 3HD2 LEU 119 -11.418 8.679 -0.762 912 H MET 120 H MET 120 -10.118 5.429 2.986 913 HA MET 120 HA MET 120 -9.826 2.809 2.132 914 1HB MET 120 1HB MET 120 -9.026 3.851 4.303 915 2HB MET 120 2HB MET 120 -10.649 3.593 4.924 916 1HG MET 120 1HG MET 120 -9.199 1.824 5.652 917 2HG MET 120 2HG MET 120 -10.401 1.185 4.530 918 1HE MET 120 1HE MET 120 -8.807 -0.968 4.496 919 2HE MET 120 2HE MET 120 -7.525 -0.195 5.433 920 3HE MET 120 3HE MET 120 -7.154 -0.953 3.885 921 H ARG 121 H ARG 121 -12.647 4.352 3.644 922 HA ARG 121 HA ARG 121 -14.297 2.156 3.895 923 1HB ARG 121 1HB ARG 121 -14.757 5.083 3.485 924 2HB ARG 121 2HB ARG 121 -16.101 3.974 3.539 925 1HG ARG 121 1HG ARG 121 -14.067 4.234 5.726 926 2HG ARG 121 2HG ARG 121 -15.599 5.105 5.692 927 1HD ARG 121 1HD ARG 121 -16.736 2.860 5.528 928 2HD ARG 121 2HD ARG 121 -15.166 2.131 5.870 929 HE ARG 121 HE ARG 121 -15.292 3.666 7.954 930 1HH1 ARG 121 1HH1 ARG 121 -17.943 1.883 6.503 931 2HH1 ARG 121 2HH1 ARG 121 -18.903 1.897 7.951 932 1HH2 ARG 121 1HH2 ARG 121 -16.533 3.668 9.848 933 2HH2 ARG 121 2HH2 ARG 121 -18.104 2.908 9.862 934 H GLY 122 H GLY 122 -13.959 4.404 1.164 935 1HA GLY 122 1HA GLY 122 -15.978 3.173 -0.409 936 2HA GLY 122 2HA GLY 122 -14.744 4.278 -0.997 937 H LEU 123 H LEU 123 -12.590 2.513 0.024 938 HA LEU 123 HA LEU 123 -12.386 0.989 -2.417 939 1HB LEU 123 1HB LEU 123 -10.423 1.440 -0.176 940 2HB LEU 123 2HB LEU 123 -10.059 0.597 -1.669 941 HG LEU 123 HG LEU 123 -10.912 3.490 -1.493 942 1HD1 LEU 123 1HD1 LEU 123 -8.608 4.030 -2.039 943 2HD1 LEU 123 2HD1 LEU 123 -8.183 2.320 -2.002 944 3HD1 LEU 123 3HD1 LEU 123 -8.695 3.131 -0.523 945 1HD2 LEU 123 1HD2 LEU 123 -11.558 2.430 -3.584 946 2HD2 LEU 123 2HD2 LEU 123 -9.911 1.843 -3.812 947 3HD2 LEU 123 3HD2 LEU 123 -10.241 3.576 -3.845 948 H VAL 124 H VAL 124 -12.072 0.189 1.073 949 HA VAL 124 HA VAL 124 -11.932 -2.624 0.351 950 HB VAL 124 HB VAL 124 -11.475 -3.086 2.684 951 1HG1 VAL 124 1HG1 VAL 124 -9.922 -0.718 1.659 952 2HG1 VAL 124 2HG1 VAL 124 -9.637 -2.411 1.250 953 3HG1 VAL 124 3HG1 VAL 124 -9.381 -1.847 2.902 954 1HG2 VAL 124 1HG2 VAL 124 -12.946 -1.473 3.747 955 2HG2 VAL 124 2HG2 VAL 124 -11.952 -0.142 3.151 956 3HG2 VAL 124 3HG2 VAL 124 -11.295 -1.271 4.337 957 H GLU 125 H GLU 125 -14.227 -0.393 1.662 958 HA GLU 125 HA GLU 125 -16.175 -2.564 2.044 959 1HB GLU 125 1HB GLU 125 -15.852 -0.898 3.893 960 2HB GLU 125 2HB GLU 125 -16.387 0.367 2.801 961 1HG GLU 125 1HG GLU 125 -18.556 -0.867 2.592 962 2HG GLU 125 2HG GLU 125 -17.993 -1.927 3.884 963 HA PRO 126 HA PRO 126 -16.401 -1.086 -2.197 964 1HB PRO 126 1HB PRO 126 -17.888 -3.129 -3.225 965 2HB PRO 126 2HB PRO 126 -16.144 -3.201 -2.958 966 1HG PRO 126 1HG PRO 126 -18.365 -4.248 -1.257 967 2HG PRO 126 2HG PRO 126 -16.820 -5.016 -1.671 968 1HD PRO 126 1HD PRO 126 -17.231 -3.822 0.710 969 2HD PRO 126 2HD PRO 126 -15.649 -3.781 -0.099 970 H GLN 127 H GLN 127 -17.646 0.689 -2.146 971 HA GLN 127 HA GLN 127 -20.468 0.678 -1.975 972 1HB GLN 127 1HB GLN 127 -18.657 2.684 -3.327 973 2HB GLN 127 2HB GLN 127 -20.310 2.950 -2.821 974 1HG GLN 127 1HG GLN 127 -19.608 2.602 -0.474 975 2HG GLN 127 2HG GLN 127 -17.941 2.493 -1.043 976 1HE2 GLN 127 1HE2 GLN 127 -20.319 4.647 -2.428 977 2HE2 GLN 127 2HE2 GLN 127 -19.601 6.115 -1.865 978 H GLN 128 H GLN 128 -18.169 -0.009 -4.301 979 HA GLN 128 HA GLN 128 -20.013 -1.251 -6.025 980 1HB GLN 128 1HB GLN 128 -19.466 0.022 -8.077 981 2HB GLN 128 2HB GLN 128 -20.382 0.968 -6.918 982 1HG GLN 128 1HG GLN 128 -18.522 2.274 -6.351 983 2HG GLN 128 2HG GLN 128 -17.398 1.142 -7.103 984 1HE2 GLN 128 1HE2 GLN 128 -17.792 4.018 -7.550 985 2HE2 GLN 128 2HE2 GLN 128 -18.117 4.180 -9.249 986 H GLU 129 H GLU 129 -18.999 -2.995 -6.612 987 HA GLU 129 HA GLU 129 -16.088 -3.099 -6.492 988 1HB GLU 129 1HB GLU 129 -16.412 -5.563 -6.698 989 2HB GLU 129 2HB GLU 129 -17.227 -4.864 -5.308 990 1HG GLU 129 1HG GLU 129 -18.591 -5.522 -7.910 991 2HG GLU 129 2HG GLU 129 -18.530 -6.602 -6.519 992 H ARG 130 H ARG 130 -17.657 -1.780 -8.599 993 HA ARG 130 HA ARG 130 -17.594 -3.243 -10.996 994 1HB ARG 130 1HB ARG 130 -18.913 -1.163 -10.590 995 2HB ARG 130 2HB ARG 130 -17.413 -0.249 -10.642 996 1HG ARG 130 1HG ARG 130 -17.064 -0.923 -12.949 997 2HG ARG 130 2HG ARG 130 -18.546 -1.882 -12.901 998 1HD ARG 130 1HD ARG 130 -19.802 0.201 -12.386 999 2HD ARG 130 2HD ARG 130 -18.307 1.110 -12.615 1000 HE ARG 130 HE ARG 130 -18.733 -0.464 -14.888 1001 1HH1 ARG 130 1HH1 ARG 130 -20.183 2.299 -13.265 1002 2HH1 ARG 130 2HH1 ARG 130 -20.834 2.965 -14.737 1003 1HH2 ARG 130 1HH2 ARG 130 -19.578 0.420 -16.795 1004 2HH2 ARG 130 2HH2 ARG 130 -20.504 1.885 -16.740 1005 H ALA 131 H ALA 131 -15.180 -1.622 -9.214 1006 HA ALA 131 HA ALA 131 -13.311 -1.478 -11.420 1007 1HB ALA 131 1HB ALA 131 -13.322 0.302 -9.733 1008 2HB ALA 131 2HB ALA 131 -11.760 -0.518 -9.805 1009 3HB ALA 131 3HB ALA 131 -12.885 -0.877 -8.496 1010 H SER 132 H SER 132 -13.181 -3.680 -11.954 1011 HA SER 132 HA SER 132 -11.309 -5.133 -10.230 1012 1HB SER 132 1HB SER 132 -13.607 -6.442 -11.701 1013 2HB SER 132 2HB SER 132 -12.425 -7.244 -10.672 1014 HG SER 132 HG SER 132 -14.381 -5.340 -9.860 Start of MODEL 20 1 1H MET 1 1H MET 1 21.188 3.121 -6.212 2 HA MET 1 HA MET 1 23.054 4.840 -7.452 3 1HB MET 1 1HB MET 1 21.524 6.509 -8.492 4 2HB MET 1 2HB MET 1 21.595 4.985 -9.356 5 1HG MET 1 1HG MET 1 19.349 5.547 -9.389 6 2HG MET 1 2HG MET 1 19.468 4.367 -8.087 7 1HE MET 1 1HE MET 1 17.089 5.107 -7.154 8 2HE MET 1 2HE MET 1 16.951 6.261 -8.478 9 3HE MET 1 3HE MET 1 16.653 6.782 -6.820 10 H SER 2 H SER 2 22.823 7.130 -6.658 11 HA SER 2 HA SER 2 22.748 8.552 -4.901 12 1HB SER 2 1HB SER 2 20.275 8.385 -5.268 13 2HB SER 2 2HB SER 2 20.224 7.080 -4.084 14 HG SER 2 HG SER 2 20.093 9.682 -3.633 15 H ASN 3 H ASN 3 22.008 8.210 -2.250 16 HA ASN 3 HA ASN 3 23.925 6.156 -1.376 17 1HB ASN 3 1HB ASN 3 23.158 8.837 -0.258 18 2HB ASN 3 2HB ASN 3 23.850 7.606 0.793 19 1HD2 ASN 3 1HD2 ASN 3 25.986 7.092 0.624 20 2HD2 ASN 3 2HD2 ASN 3 27.104 7.978 -0.369 21 H ASP 4 H ASP 4 23.156 4.459 -0.321 22 HA ASP 4 HA ASP 4 20.408 4.236 0.394 23 1HB ASP 4 1HB ASP 4 22.787 2.503 1.011 24 2HB ASP 4 2HB ASP 4 21.155 2.090 1.506 25 H THR 5 H THR 5 19.976 5.855 1.759 26 HA THR 5 HA THR 5 20.553 5.390 4.538 27 HB THR 5 HB THR 5 21.255 8.063 3.302 28 HG1 THR 5 HG1 THR 5 22.709 5.811 3.790 29 1HG2 THR 5 1HG2 THR 5 20.281 8.322 5.522 30 2HG2 THR 5 2HG2 THR 5 22.012 8.657 5.570 31 3HG2 THR 5 3HG2 THR 5 21.393 7.117 6.168 32 HA PRO 6 HA PRO 6 16.818 8.470 4.009 33 1HB PRO 6 1HB PRO 6 16.132 8.986 1.388 34 2HB PRO 6 2HB PRO 6 17.057 10.088 2.413 35 1HG PRO 6 1HG PRO 6 18.022 8.166 0.337 36 2HG PRO 6 2HG PRO 6 18.587 9.810 0.695 37 1HD PRO 6 1HD PRO 6 19.934 7.630 1.503 38 2HD PRO 6 2HD PRO 6 19.870 9.109 2.482 39 H PHE 7 H PHE 7 17.179 6.482 1.060 40 HA PHE 7 HA PHE 7 14.608 5.311 1.225 41 1HB PHE 7 1HB PHE 7 15.855 5.400 -0.879 42 2HB PHE 7 2HB PHE 7 17.100 4.354 -0.207 43 HD1 PHE 7 HD1 PHE 7 16.944 2.052 -0.454 44 HD2 PHE 7 HD2 PHE 7 13.482 4.452 -1.035 45 HE1 PHE 7 HE1 PHE 7 15.719 0.078 -1.268 46 HE2 PHE 7 HE2 PHE 7 12.247 2.486 -1.845 47 HZ PHE 7 HZ PHE 7 13.364 0.295 -1.962 48 H ASP 8 H ASP 8 17.762 4.407 2.436 49 HA ASP 8 HA ASP 8 17.274 1.790 3.287 50 1HB ASP 8 1HB ASP 8 19.489 2.899 3.288 51 2HB ASP 8 2HB ASP 8 18.972 3.917 4.611 52 H ALA 9 H ALA 9 17.106 4.816 5.075 53 HA ALA 9 HA ALA 9 16.038 3.813 7.456 54 1HB ALA 9 1HB ALA 9 16.960 6.073 7.248 55 2HB ALA 9 2HB ALA 9 15.344 6.095 7.953 56 3HB ALA 9 3HB ALA 9 15.574 6.547 6.265 57 H LEU 10 H LEU 10 14.351 5.098 4.610 58 HA LEU 10 HA LEU 10 11.750 4.926 5.571 59 1HB LEU 10 1HB LEU 10 13.048 5.182 2.971 60 2HB LEU 10 2HB LEU 10 11.519 4.335 2.886 61 HG LEU 10 HG LEU 10 11.227 6.716 2.451 62 1HD1 LEU 10 1HD1 LEU 10 9.396 5.520 3.492 63 2HD1 LEU 10 2HD1 LEU 10 9.469 7.176 4.094 64 3HD1 LEU 10 3HD1 LEU 10 10.064 5.848 5.090 65 1HD2 LEU 10 1HD2 LEU 10 12.312 7.117 5.239 66 2HD2 LEU 10 2HD2 LEU 10 11.594 8.370 4.227 67 3HD2 LEU 10 3HD2 LEU 10 13.099 7.591 3.733 68 H TRP 11 H TRP 11 13.579 2.472 3.704 69 HA TRP 11 HA TRP 11 11.435 0.628 3.701 70 1HB TRP 11 1HB TRP 11 13.629 0.686 2.257 71 2HB TRP 11 2HB TRP 11 14.266 -0.325 3.551 72 HD1 TRP 11 HD1 TRP 11 10.628 -0.843 2.864 73 HE1 TRP 11 HE1 TRP 11 10.260 -3.056 1.613 74 HE3 TRP 11 HE3 TRP 11 15.489 -1.950 1.715 75 HZ2 TRP 11 HZ2 TRP 11 11.809 -5.015 0.323 76 HZ3 TRP 11 HZ3 TRP 11 15.955 -4.027 0.475 77 HH2 TRP 11 HH2 TRP 11 14.145 -5.526 -0.205 78 H GLN 12 H GLN 12 14.254 1.035 5.796 79 HA GLN 12 HA GLN 12 13.832 -1.174 7.447 80 1HB GLN 12 1HB GLN 12 15.149 1.488 7.913 81 2HB GLN 12 2HB GLN 12 15.084 0.257 9.157 82 1HG GLN 12 1HG GLN 12 16.346 -0.026 6.444 83 2HG GLN 12 2HG GLN 12 17.198 0.194 7.970 84 1HE2 GLN 12 1HE2 GLN 12 15.407 -1.587 9.449 85 2HE2 GLN 12 2HE2 GLN 12 15.819 -3.192 8.953 86 H ARG 13 H ARG 13 12.346 2.021 7.445 87 HA ARG 13 HA ARG 13 11.016 1.913 9.892 88 1HB ARG 13 1HB ARG 13 10.176 3.138 7.266 89 2HB ARG 13 2HB ARG 13 9.247 3.326 8.745 90 1HG ARG 13 1HG ARG 13 12.083 4.226 8.312 91 2HG ARG 13 2HG ARG 13 10.653 5.262 8.329 92 1HD ARG 13 1HD ARG 13 10.232 4.428 10.672 93 2HD ARG 13 2HD ARG 13 11.831 3.687 10.608 94 HE ARG 13 HE ARG 13 11.955 6.441 9.909 95 1HH1 ARG 13 1HH1 ARG 13 11.752 4.236 12.622 96 2HH1 ARG 13 2HH1 ARG 13 12.336 5.400 13.777 97 1HH2 ARG 13 1HH2 ARG 13 12.695 7.986 11.422 98 2HH2 ARG 13 2HH2 ARG 13 12.845 7.548 13.100 99 H MET 14 H MET 14 9.807 0.883 6.697 100 HA MET 14 HA MET 14 7.482 -0.354 7.747 101 1HB MET 14 1HB MET 14 8.897 -0.531 5.106 102 2HB MET 14 2HB MET 14 7.554 -1.603 5.471 103 1HG MET 14 1HG MET 14 6.552 0.134 4.338 104 2HG MET 14 2HG MET 14 6.256 0.536 6.027 105 1HE MET 14 1HE MET 14 9.451 0.968 3.696 106 2HE MET 14 2HE MET 14 9.194 2.640 3.193 107 3HE MET 14 3HE MET 14 8.032 1.391 2.742 108 H LEU 15 H LEU 15 10.740 -1.479 7.219 109 HA LEU 15 HA LEU 15 10.249 -4.253 7.449 110 1HB LEU 15 1HB LEU 15 12.579 -2.479 7.487 111 2HB LEU 15 2HB LEU 15 12.778 -3.914 8.472 112 HG LEU 15 HG LEU 15 13.669 -4.172 6.175 113 1HD1 LEU 15 1HD1 LEU 15 12.638 -6.337 5.716 114 2HD1 LEU 15 2HD1 LEU 15 11.312 -5.942 6.810 115 3HD1 LEU 15 3HD1 LEU 15 12.949 -6.133 7.439 116 1HD2 LEU 15 1HD2 LEU 15 10.787 -3.920 5.358 117 2HD2 LEU 15 2HD2 LEU 15 12.117 -4.410 4.309 118 3HD2 LEU 15 3HD2 LEU 15 12.082 -2.782 4.986 119 H ALA 16 H ALA 16 11.191 -1.814 9.843 120 HA ALA 16 HA ALA 16 11.401 -3.591 12.029 121 1HB ALA 16 1HB ALA 16 12.468 -1.399 11.995 122 2HB ALA 16 2HB ALA 16 11.444 -1.596 13.417 123 3HB ALA 16 3HB ALA 16 10.886 -0.625 12.057 124 H ARG 17 H ARG 17 8.658 -2.273 10.470 125 HA ARG 17 HA ARG 17 6.880 -2.352 12.713 126 1HB ARG 17 1HB ARG 17 6.258 -2.435 9.755 127 2HB ARG 17 2HB ARG 17 5.090 -2.161 11.038 128 1HG ARG 17 1HG ARG 17 7.395 -0.364 10.332 129 2HG ARG 17 2HG ARG 17 5.699 -0.088 9.949 130 1HD ARG 17 1HD ARG 17 5.203 -0.078 12.383 131 2HD ARG 17 2HD ARG 17 6.934 -0.206 12.696 132 HE ARG 17 HE ARG 17 6.593 1.983 11.036 133 1HH1 ARG 17 1HH1 ARG 17 5.692 1.007 14.268 134 2HH1 ARG 17 2HH1 ARG 17 5.499 2.631 14.854 135 1HH2 ARG 17 1HH2 ARG 17 6.371 4.139 11.800 136 2HH2 ARG 17 2HH2 ARG 17 5.903 4.421 13.447 137 H GLY 18 H GLY 18 8.207 -4.702 10.570 138 1HA GLY 18 1HA GLY 18 8.097 -7.030 11.098 139 2HA GLY 18 2HA GLY 18 6.526 -6.759 11.835 140 H TRP 19 H TRP 19 7.153 -5.311 8.763 141 HA TRP 19 HA TRP 19 5.168 -7.073 7.580 142 1HB TRP 19 1HB TRP 19 6.367 -4.480 6.592 143 2HB TRP 19 2HB TRP 19 5.126 -5.398 5.743 144 HD1 TRP 19 HD1 TRP 19 3.389 -6.097 8.397 145 HE1 TRP 19 HE1 TRP 19 1.945 -4.241 9.444 146 HE3 TRP 19 HE3 TRP 19 5.760 -2.024 6.415 147 HZ2 TRP 19 HZ2 TRP 19 1.832 -1.421 9.425 148 HZ3 TRP 19 HZ3 TRP 19 4.922 0.219 6.981 149 HH2 TRP 19 HH2 TRP 19 2.998 0.514 8.454 150 H THR 20 H THR 20 5.576 -7.546 5.161 151 HA THR 20 HA THR 20 8.230 -8.827 5.091 152 HB THR 20 HB THR 20 5.687 -9.828 3.801 153 HG1 THR 20 HG1 THR 20 6.539 -9.955 6.382 154 1HG2 THR 20 1HG2 THR 20 6.913 -11.939 3.585 155 2HG2 THR 20 2HG2 THR 20 8.341 -11.188 4.297 156 3HG2 THR 20 3HG2 THR 20 7.740 -10.635 2.734 157 HA PRO 21 HA PRO 21 8.906 -6.690 1.167 158 1HB PRO 21 1HB PRO 21 11.183 -8.037 0.528 159 2HB PRO 21 2HB PRO 21 11.146 -6.680 1.659 160 1HG PRO 21 1HG PRO 21 11.191 -9.618 2.226 161 2HG PRO 21 2HG PRO 21 12.078 -8.305 3.026 162 1HD PRO 21 1HD PRO 21 9.847 -9.409 4.089 163 2HD PRO 21 2HD PRO 21 10.268 -7.702 4.318 164 H VAL 22 H VAL 22 7.785 -7.233 -0.597 165 HA VAL 22 HA VAL 22 7.614 -10.080 -1.337 166 HB VAL 22 HB VAL 22 5.467 -9.044 -0.596 167 1HG1 VAL 22 1HG1 VAL 22 4.328 -7.464 -2.087 168 2HG1 VAL 22 2HG1 VAL 22 5.781 -7.364 -3.082 169 3HG1 VAL 22 3HG1 VAL 22 5.812 -6.785 -1.417 170 1HG2 VAL 22 1HG2 VAL 22 5.422 -10.977 -2.044 171 2HG2 VAL 22 2HG2 VAL 22 5.597 -9.953 -3.469 172 3HG2 VAL 22 3HG2 VAL 22 4.126 -9.870 -2.500 173 H SER 23 H SER 23 7.819 -10.652 -3.491 174 HA SER 23 HA SER 23 8.913 -8.563 -5.244 175 1HB SER 23 1HB SER 23 9.476 -11.541 -5.285 176 2HB SER 23 2HB SER 23 10.218 -10.325 -6.329 177 HG SER 23 HG SER 23 10.765 -9.333 -4.116 178 H GLU 24 H GLU 24 8.671 -9.223 -7.646 179 HA GLU 24 HA GLU 24 5.941 -8.948 -8.191 180 1HB GLU 24 1HB GLU 24 7.520 -7.965 -9.656 181 2HB GLU 24 2HB GLU 24 8.332 -9.496 -9.932 182 1HG GLU 24 1HG GLU 24 5.495 -9.297 -10.747 183 2HG GLU 24 2HG GLU 24 6.681 -8.397 -11.691 184 H SER 25 H SER 25 8.058 -11.773 -8.610 185 HA SER 25 HA SER 25 6.055 -13.303 -9.931 186 1HB SER 25 1HB SER 25 8.624 -14.200 -8.615 187 2HB SER 25 2HB SER 25 7.653 -15.150 -9.742 188 HG SER 25 HG SER 25 7.980 -13.121 -11.127 189 H ARG 26 H ARG 26 6.381 -12.454 -6.730 190 HA ARG 26 HA ARG 26 4.848 -14.813 -5.873 191 1HB ARG 26 1HB ARG 26 6.733 -13.101 -4.245 192 2HB ARG 26 2HB ARG 26 5.663 -14.313 -3.556 193 1HG ARG 26 1HG ARG 26 7.849 -14.833 -5.556 194 2HG ARG 26 2HG ARG 26 7.931 -15.152 -3.824 195 1HD ARG 26 1HD ARG 26 6.223 -16.817 -3.974 196 2HD ARG 26 2HD ARG 26 5.867 -16.380 -5.646 197 HE ARG 26 HE ARG 26 8.517 -17.100 -5.642 198 1HH1 ARG 26 1HH1 ARG 26 5.488 -18.661 -4.776 199 2HH1 ARG 26 2HH1 ARG 26 6.055 -20.255 -5.171 200 1HH2 ARG 26 1HH2 ARG 26 9.245 -19.187 -6.190 201 2HH2 ARG 26 2HH2 ARG 26 8.188 -20.555 -5.973 202 H LEU 27 H LEU 27 4.708 -11.557 -6.514 203 HA LEU 27 HA LEU 27 2.960 -10.597 -4.546 204 1HB LEU 27 1HB LEU 27 4.153 -9.287 -6.379 205 2HB LEU 27 2HB LEU 27 2.903 -9.840 -7.473 206 HG LEU 27 HG LEU 27 2.634 -7.498 -6.569 207 1HD1 LEU 27 1HD1 LEU 27 0.378 -9.407 -5.980 208 2HD1 LEU 27 2HD1 LEU 27 0.763 -8.726 -7.561 209 3HD1 LEU 27 3HD1 LEU 27 0.237 -7.670 -6.249 210 1HD2 LEU 27 1HD2 LEU 27 1.709 -7.268 -4.314 211 2HD2 LEU 27 2HD2 LEU 27 3.352 -7.907 -4.290 212 3HD2 LEU 27 3HD2 LEU 27 1.983 -8.987 -4.031 213 H ASP 28 H ASP 28 2.352 -12.164 -7.656 214 HA ASP 28 HA ASP 28 -0.507 -12.250 -7.229 215 1HB ASP 28 1HB ASP 28 0.350 -12.011 -9.493 216 2HB ASP 28 2HB ASP 28 1.262 -13.509 -9.340 217 H ASP 29 H ASP 29 2.219 -14.375 -6.927 218 HA ASP 29 HA ASP 29 0.953 -16.862 -6.637 219 1HB ASP 29 1HB ASP 29 3.409 -16.365 -6.963 220 2HB ASP 29 2HB ASP 29 3.479 -15.925 -5.275 221 H TRP 30 H TRP 30 2.228 -14.670 -4.182 222 HA TRP 30 HA TRP 30 1.156 -16.214 -2.026 223 1HB TRP 30 1HB TRP 30 3.249 -14.647 -2.092 224 2HB TRP 30 2HB TRP 30 2.088 -13.386 -1.693 225 HD1 TRP 30 HD1 TRP 30 2.029 -16.959 -0.266 226 HE1 TRP 30 HE1 TRP 30 2.332 -16.827 2.288 227 HE3 TRP 30 HE3 TRP 30 2.903 -11.943 0.174 228 HZ2 TRP 30 HZ2 TRP 30 2.876 -14.847 4.229 229 HZ3 TRP 30 HZ3 TRP 30 3.308 -11.010 2.416 230 HH2 TRP 30 HH2 TRP 30 3.295 -12.432 4.400 231 H LEU 31 H LEU 31 0.030 -13.465 -3.881 232 HA LEU 31 HA LEU 31 -1.939 -12.586 -2.050 233 1HB LEU 31 1HB LEU 31 -1.172 -11.251 -3.975 234 2HB LEU 31 2HB LEU 31 -1.957 -12.381 -5.062 235 HG LEU 31 HG LEU 31 -4.150 -11.766 -4.092 236 1HD1 LEU 31 1HD1 LEU 31 -2.565 -9.706 -2.565 237 2HD1 LEU 31 2HD1 LEU 31 -3.377 -11.108 -1.869 238 3HD1 LEU 31 3HD1 LEU 31 -4.323 -9.827 -2.627 239 1HD2 LEU 31 1HD2 LEU 31 -3.351 -10.640 -6.091 240 2HD2 LEU 31 2HD2 LEU 31 -2.498 -9.455 -5.105 241 3HD2 LEU 31 3HD2 LEU 31 -4.260 -9.521 -5.076 242 H THR 32 H THR 32 -1.937 -15.120 -4.507 243 HA THR 32 HA THR 32 -4.783 -15.510 -4.266 244 HB THR 32 HB THR 32 -3.477 -15.949 -6.399 245 HG1 THR 32 HG1 THR 32 -5.281 -17.818 -5.248 246 1HG2 THR 32 1HG2 THR 32 -2.477 -18.167 -6.664 247 2HG2 THR 32 2HG2 THR 32 -2.750 -18.501 -4.956 248 3HG2 THR 32 3HG2 THR 32 -1.625 -17.231 -5.436 249 H GLN 33 H GLN 33 -1.896 -16.840 -2.796 250 HA GLN 33 HA GLN 33 -3.476 -18.939 -1.516 251 1HB GLN 33 1HB GLN 33 -0.527 -18.354 -1.612 252 2HB GLN 33 2HB GLN 33 -1.211 -19.578 -0.555 253 1HG GLN 33 1HG GLN 33 -2.122 -20.753 -2.477 254 2HG GLN 33 2HG GLN 33 -1.473 -19.509 -3.550 255 1HE2 GLN 33 1HE2 GLN 33 -0.706 -22.170 -1.442 256 2HE2 GLN 33 2HE2 GLN 33 0.919 -22.402 -2.010 257 H ALA 34 H ALA 34 -2.848 -15.784 -0.952 258 HA ALA 34 HA ALA 34 -3.771 -16.009 1.777 259 1HB ALA 34 1HB ALA 34 -1.201 -14.532 1.183 260 2HB ALA 34 2HB ALA 34 -1.330 -16.051 2.070 261 3HB ALA 34 3HB ALA 34 -2.040 -14.581 2.734 262 HA PRO 35 HA PRO 35 -5.658 -12.781 -0.794 263 1HB PRO 35 1HB PRO 35 -8.170 -13.026 0.149 264 2HB PRO 35 2HB PRO 35 -7.481 -14.155 -1.023 265 1HG PRO 35 1HG PRO 35 -7.819 -14.461 1.930 266 2HG PRO 35 2HG PRO 35 -8.084 -15.650 0.641 267 1HD PRO 35 1HD PRO 35 -5.827 -15.566 2.191 268 2HD PRO 35 2HD PRO 35 -5.868 -16.218 0.541 269 H ASP 36 H ASP 36 -6.148 -10.711 -0.473 270 HA ASP 36 HA ASP 36 -6.828 -8.766 0.467 271 1HB ASP 36 1HB ASP 36 -8.408 -10.068 1.863 272 2HB ASP 36 2HB ASP 36 -7.145 -10.264 3.071 273 H GLY 37 H GLY 37 -5.791 -7.050 1.400 274 1HA GLY 37 1HA GLY 37 -3.998 -6.685 3.283 275 2HA GLY 37 2HA GLY 37 -3.022 -7.611 2.151 276 H VAL 38 H VAL 38 -1.795 -5.494 2.421 277 HA VAL 38 HA VAL 38 -2.550 -3.724 0.216 278 HB VAL 38 HB VAL 38 -1.720 -1.753 1.607 279 1HG1 VAL 38 1HG1 VAL 38 -4.067 -2.030 1.023 280 2HG1 VAL 38 2HG1 VAL 38 -3.908 -1.394 2.662 281 3HG1 VAL 38 3HG1 VAL 38 -4.301 -3.093 2.410 282 1HG2 VAL 38 1HG2 VAL 38 -0.716 -3.083 3.417 283 2HG2 VAL 38 2HG2 VAL 38 -2.325 -3.637 3.883 284 3HG2 VAL 38 3HG2 VAL 38 -1.908 -1.930 4.018 285 H VAL 39 H VAL 39 -0.870 -2.996 -0.978 286 HA VAL 39 HA VAL 39 1.845 -3.739 -0.087 287 HB VAL 39 HB VAL 39 0.801 -3.797 -2.928 288 1HG1 VAL 39 1HG1 VAL 39 3.469 -4.622 -1.785 289 2HG1 VAL 39 2HG1 VAL 39 3.161 -3.231 -2.822 290 3HG1 VAL 39 3HG1 VAL 39 2.953 -4.864 -3.456 291 1HG2 VAL 39 1HG2 VAL 39 -0.147 -5.619 -1.624 292 2HG2 VAL 39 2HG2 VAL 39 1.462 -6.080 -1.074 293 3HG2 VAL 39 3HG2 VAL 39 1.039 -6.231 -2.778 294 H LEU 40 H LEU 40 3.292 -2.126 -0.077 295 HA LEU 40 HA LEU 40 2.468 0.495 -1.017 296 1HB LEU 40 1HB LEU 40 4.884 -0.462 0.513 297 2HB LEU 40 2HB LEU 40 4.719 1.189 -0.050 298 HG LEU 40 HG LEU 40 2.581 1.313 1.305 299 1HD1 LEU 40 1HD1 LEU 40 3.673 -1.228 2.506 300 2HD1 LEU 40 2HD1 LEU 40 2.178 -1.067 1.587 301 3HD1 LEU 40 3HD1 LEU 40 2.339 -0.271 3.151 302 1HD2 LEU 40 1HD2 LEU 40 4.647 2.365 2.019 303 2HD2 LEU 40 2HD2 LEU 40 5.186 0.856 2.751 304 3HD2 LEU 40 3HD2 LEU 40 3.783 1.702 3.404 305 H LEU 41 H LEU 41 3.038 1.359 -2.906 306 HA LEU 41 HA LEU 41 4.896 -0.171 -4.580 307 1HB LEU 41 1HB LEU 41 2.448 0.595 -5.204 308 2HB LEU 41 2HB LEU 41 3.241 2.106 -5.591 309 HG LEU 41 HG LEU 41 2.906 0.676 -7.574 310 1HD1 LEU 41 1HD1 LEU 41 4.767 2.248 -7.570 311 2HD1 LEU 41 2HD1 LEU 41 5.164 0.786 -8.473 312 3HD1 LEU 41 3HD1 LEU 41 5.807 1.019 -6.849 313 1HD2 LEU 41 1HD2 LEU 41 4.766 -1.221 -6.154 314 2HD2 LEU 41 2HD2 LEU 41 4.221 -1.376 -7.824 315 3HD2 LEU 41 3HD2 LEU 41 3.059 -1.492 -6.503 316 H SER 42 H SER 42 6.906 0.524 -4.028 317 HA SER 42 HA SER 42 7.596 3.246 -3.579 318 1HB SER 42 1HB SER 42 9.457 0.987 -4.349 319 2HB SER 42 2HB SER 42 9.864 2.457 -3.462 320 HG SER 42 HG SER 42 9.202 0.184 -2.417 321 H SER 43 H SER 43 7.364 4.697 -5.209 322 HA SER 43 HA SER 43 8.301 3.913 -7.881 323 1HB SER 43 1HB SER 43 6.492 6.219 -7.126 324 2HB SER 43 2HB SER 43 6.912 5.714 -8.762 325 HG SER 43 HG SER 43 5.845 3.753 -7.119 326 H ASP 44 H ASP 44 8.222 6.821 -5.783 327 HA ASP 44 HA ASP 44 10.969 7.401 -6.494 328 1HB ASP 44 1HB ASP 44 9.498 8.354 -8.327 329 2HB ASP 44 2HB ASP 44 8.827 9.439 -7.114 330 HA PRO 45 HA PRO 45 10.475 8.750 -2.251 331 1HB PRO 45 1HB PRO 45 13.343 9.250 -2.291 332 2HB PRO 45 2HB PRO 45 12.444 8.017 -1.405 333 1HG PRO 45 1HG PRO 45 14.104 7.433 -3.474 334 2HG PRO 45 2HG PRO 45 12.676 6.461 -3.077 335 1HD PRO 45 1HD PRO 45 13.021 8.540 -5.206 336 2HD PRO 45 2HD PRO 45 12.194 6.967 -5.288 337 H LYS 46 H LYS 46 11.961 10.533 -4.834 338 HA LYS 46 HA LYS 46 12.349 12.953 -3.288 339 1HB LYS 46 1HB LYS 46 13.751 12.074 -5.295 340 2HB LYS 46 2HB LYS 46 12.465 12.741 -6.283 341 1HG LYS 46 1HG LYS 46 14.250 14.334 -6.140 342 2HG LYS 46 2HG LYS 46 12.857 14.950 -5.248 343 1HD LYS 46 1HD LYS 46 13.862 14.248 -3.154 344 2HD LYS 46 2HD LYS 46 15.230 13.551 -4.019 345 1HE LYS 46 1HE LYS 46 15.813 15.781 -4.870 346 2HE LYS 46 2HE LYS 46 14.459 16.467 -3.974 347 1HZ LYS 46 1HZ LYS 46 15.492 15.694 -1.920 348 2HZ LYS 46 2HZ LYS 46 16.513 16.757 -2.761 349 3HZ LYS 46 3HZ LYS 46 16.809 15.089 -2.795 350 H ARG 47 H ARG 47 10.088 11.498 -5.412 351 HA ARG 47 HA ARG 47 8.537 13.568 -6.348 352 1HB ARG 47 1HB ARG 47 8.393 10.944 -6.604 353 2HB ARG 47 2HB ARG 47 7.212 11.095 -5.311 354 1HG ARG 47 1HG ARG 47 5.938 11.128 -7.250 355 2HG ARG 47 2HG ARG 47 6.076 12.831 -6.811 356 1HD ARG 47 1HD ARG 47 7.865 13.128 -8.426 357 2HD ARG 47 2HD ARG 47 7.811 11.411 -8.828 358 HE ARG 47 HE ARG 47 5.583 13.285 -9.346 359 1HH1 ARG 47 1HH1 ARG 47 7.660 10.633 -10.347 360 2HH1 ARG 47 2HH1 ARG 47 6.757 10.320 -11.797 361 1HH2 ARG 47 1HH2 ARG 47 4.413 12.861 -11.274 362 2HH2 ARG 47 2HH2 ARG 47 4.933 11.572 -12.319 363 H THR 48 H THR 48 8.430 12.012 -3.175 364 HA THR 48 HA THR 48 6.587 14.128 -2.279 365 HB THR 48 HB THR 48 6.614 11.283 -1.253 366 HG1 THR 48 HG1 THR 48 5.450 12.382 -3.445 367 1HG2 THR 48 1HG2 THR 48 4.681 13.561 -0.781 368 2HG2 THR 48 2HG2 THR 48 5.837 12.929 0.391 369 3HG2 THR 48 3HG2 THR 48 4.506 11.917 -0.165 370 HA PRO 49 HA PRO 49 10.073 14.933 0.393 371 1HB PRO 49 1HB PRO 49 8.305 16.900 1.661 372 2HB PRO 49 2HB PRO 49 9.820 17.149 0.790 373 1HG PRO 49 1HG PRO 49 7.452 17.892 -0.241 374 2HG PRO 49 2HG PRO 49 8.775 17.294 -1.259 375 1HD PRO 49 1HD PRO 49 6.331 15.855 -0.286 376 2HD PRO 49 2HD PRO 49 7.095 15.818 -1.890 377 H GLU 50 H GLU 50 6.804 14.377 1.599 378 HA GLU 50 HA GLU 50 7.966 13.530 4.157 379 1HB GLU 50 1HB GLU 50 5.706 14.176 5.150 380 2HB GLU 50 2HB GLU 50 6.787 15.482 4.693 381 1HG GLU 50 1HG GLU 50 5.520 15.687 2.559 382 2HG GLU 50 2HG GLU 50 4.370 14.509 3.193 383 H VAL 51 H VAL 51 8.162 11.454 3.248 384 HA VAL 51 HA VAL 51 5.666 9.979 2.814 385 HB VAL 51 HB VAL 51 8.501 9.002 2.440 386 1HG1 VAL 51 1HG1 VAL 51 7.470 7.252 1.064 387 2HG1 VAL 51 2HG1 VAL 51 5.874 7.884 1.471 388 3HG1 VAL 51 3HG1 VAL 51 6.901 7.200 2.733 389 1HG2 VAL 51 1HG2 VAL 51 6.591 10.055 0.363 390 2HG2 VAL 51 2HG2 VAL 51 8.195 9.384 0.062 391 3HG2 VAL 51 3HG2 VAL 51 8.023 10.894 0.961 392 H SER 52 H SER 52 8.178 10.435 5.130 393 HA SER 52 HA SER 52 8.124 7.824 6.281 394 1HB SER 52 1HB SER 52 10.104 9.318 6.387 395 2HB SER 52 2HB SER 52 9.201 10.395 7.451 396 HG SER 52 HG SER 52 8.967 8.454 8.836 397 H ASP 53 H ASP 53 5.915 10.315 6.441 398 HA ASP 53 HA ASP 53 5.103 9.769 9.190 399 1HB ASP 53 1HB ASP 53 3.964 11.762 7.219 400 2HB ASP 53 2HB ASP 53 3.623 11.673 8.937 401 H ASN 54 H ASN 54 4.631 8.376 6.301 402 HA ASN 54 HA ASN 54 1.765 8.202 6.211 403 1HB ASN 54 1HB ASN 54 3.250 8.171 4.189 404 2HB ASN 54 2HB ASN 54 3.779 6.564 4.665 405 1HD2 ASN 54 1HD2 ASN 54 2.455 7.396 2.243 406 2HD2 ASN 54 2HD2 ASN 54 0.978 6.506 2.149 407 HA PRO 55 HA PRO 55 2.525 3.544 7.191 408 1HB PRO 55 1HB PRO 55 5.124 3.330 8.516 409 2HB PRO 55 2HB PRO 55 4.511 2.460 7.108 410 1HG PRO 55 1HG PRO 55 6.456 4.305 6.902 411 2HG PRO 55 2HG PRO 55 5.245 4.067 5.629 412 1HD PRO 55 1HD PRO 55 5.351 6.165 7.768 413 2HD PRO 55 2HD PRO 55 4.978 6.340 6.040 414 H VAL 56 H VAL 56 1.600 5.577 8.985 415 HA VAL 56 HA VAL 56 1.766 4.019 11.482 416 HB VAL 56 HB VAL 56 1.454 7.028 11.338 417 1HG1 VAL 56 1HG1 VAL 56 1.751 5.176 13.701 418 2HG1 VAL 56 2HG1 VAL 56 0.284 6.033 13.227 419 3HG1 VAL 56 3HG1 VAL 56 1.696 6.936 13.776 420 1HG2 VAL 56 1HG2 VAL 56 3.723 6.385 10.756 421 2HG2 VAL 56 2HG2 VAL 56 3.826 5.374 12.197 422 3HG2 VAL 56 3HG2 VAL 56 3.689 7.126 12.355 423 H MET 57 H MET 57 -0.127 6.491 9.759 424 HA MET 57 HA MET 57 -2.558 6.085 11.074 425 1HB MET 57 1HB MET 57 -3.588 7.246 9.174 426 2HB MET 57 2HB MET 57 -2.109 8.049 9.681 427 1HG MET 57 1HG MET 57 -0.908 7.016 7.826 428 2HG MET 57 2HG MET 57 -2.384 6.194 7.326 429 1HE MET 57 1HE MET 57 -2.339 7.137 4.858 430 2HE MET 57 2HE MET 57 -0.765 7.826 5.256 431 3HE MET 57 3HE MET 57 -1.995 8.827 4.485 432 H ILE 58 H ILE 58 -1.031 4.255 8.573 433 HA ILE 58 HA ILE 58 -3.235 2.977 7.413 434 HB ILE 58 HB ILE 58 -0.458 1.851 7.809 435 1HG1 ILE 58 1HG1 ILE 58 -0.400 4.044 6.708 436 2HG1 ILE 58 2HG1 ILE 58 0.027 2.763 5.579 437 1HG2 ILE 58 1HG2 ILE 58 -2.598 1.157 5.804 438 2HG2 ILE 58 2HG2 ILE 58 -2.073 0.157 7.158 439 3HG2 ILE 58 3HG2 ILE 58 -0.962 0.497 5.831 440 1HD1 ILE 58 1HD1 ILE 58 -2.653 4.125 5.760 441 2HD1 ILE 58 2HD1 ILE 58 -2.214 2.851 4.621 442 3HD1 ILE 58 3HD1 ILE 58 -1.412 4.420 4.540 443 H GLY 59 H GLY 59 -1.388 2.248 10.329 444 1HA GLY 59 1HA GLY 59 -2.395 -0.349 10.778 445 2HA GLY 59 2HA GLY 59 -1.693 0.703 11.999 446 H GLU 60 H GLU 60 -3.633 2.822 11.640 447 HA GLU 60 HA GLU 60 -5.680 1.850 13.382 448 1HB GLU 60 1HB GLU 60 -5.501 4.501 11.940 449 2HB GLU 60 2HB GLU 60 -6.514 4.131 13.325 450 1HG GLU 60 1HG GLU 60 -4.507 3.776 14.689 451 2HG GLU 60 2HG GLU 60 -3.506 4.205 13.301 452 H LEU 61 H LEU 61 -5.422 2.703 9.997 453 HA LEU 61 HA LEU 61 -8.165 2.790 9.375 454 1HB LEU 61 1HB LEU 61 -6.348 3.738 7.988 455 2HB LEU 61 2HB LEU 61 -5.839 2.113 7.575 456 HG LEU 61 HG LEU 61 -8.018 1.736 6.466 457 1HD1 LEU 61 1HD1 LEU 61 -8.464 4.646 7.118 458 2HD1 LEU 61 2HD1 LEU 61 -9.385 3.277 7.739 459 3HD1 LEU 61 3HD1 LEU 61 -9.461 3.685 6.025 460 1HD2 LEU 61 1HD2 LEU 61 -6.093 2.476 5.175 461 2HD2 LEU 61 2HD2 LEU 61 -6.490 4.158 5.522 462 3HD2 LEU 61 3HD2 LEU 61 -7.577 3.181 4.534 463 H LEU 62 H LEU 62 -5.820 0.169 9.342 464 HA LEU 62 HA LEU 62 -7.443 -1.755 8.075 465 1HB LEU 62 1HB LEU 62 -4.950 -1.803 9.679 466 2HB LEU 62 2HB LEU 62 -5.815 -3.316 9.495 467 HG LEU 62 HG LEU 62 -5.602 -3.211 7.082 468 1HD1 LEU 62 1HD1 LEU 62 -4.343 -1.435 5.976 469 2HD1 LEU 62 2HD1 LEU 62 -4.213 -0.572 7.508 470 3HD1 LEU 62 3HD1 LEU 62 -5.793 -0.810 6.763 471 1HD2 LEU 62 1HD2 LEU 62 -3.765 -4.198 8.331 472 2HD2 LEU 62 2HD2 LEU 62 -2.988 -2.621 8.464 473 3HD2 LEU 62 3HD2 LEU 62 -3.170 -3.385 6.884 474 H ARG 63 H ARG 63 -7.363 -0.587 11.327 475 HA ARG 63 HA ARG 63 -8.510 -2.827 12.625 476 1HB ARG 63 1HB ARG 63 -8.467 0.097 13.369 477 2HB ARG 63 2HB ARG 63 -9.100 -1.165 14.417 478 1HG ARG 63 1HG ARG 63 -6.271 -1.029 13.394 479 2HG ARG 63 2HG ARG 63 -6.803 -0.495 14.989 480 1HD ARG 63 1HD ARG 63 -7.579 -2.781 15.466 481 2HD ARG 63 2HD ARG 63 -6.987 -3.295 13.887 482 HE ARG 63 HE ARG 63 -4.909 -2.057 15.367 483 1HH1 ARG 63 1HH1 ARG 63 -6.787 -5.005 15.234 484 2HH1 ARG 63 2HH1 ARG 63 -5.529 -5.995 15.904 485 1HH2 ARG 63 1HH2 ARG 63 -3.235 -3.350 16.225 486 2HH2 ARG 63 2HH2 ARG 63 -3.495 -5.052 16.467 487 H GLU 64 H GLU 64 -9.874 -0.704 10.396 488 HA GLU 64 HA GLU 64 -12.526 -0.570 11.418 489 1HB GLU 64 1HB GLU 64 -11.379 -0.210 8.655 490 2HB GLU 64 2HB GLU 64 -13.100 -0.070 8.982 491 1HG GLU 64 1HG GLU 64 -10.940 1.599 10.248 492 2HG GLU 64 2HG GLU 64 -11.992 2.104 8.925 493 H PHE 65 H PHE 65 -10.780 -2.909 9.473 494 HA PHE 65 HA PHE 65 -13.161 -4.635 9.545 495 1HB PHE 65 1HB PHE 65 -11.287 -4.271 7.196 496 2HB PHE 65 2HB PHE 65 -12.505 -5.534 7.305 497 HD1 PHE 65 HD1 PHE 65 -14.881 -4.981 7.182 498 HD2 PHE 65 HD2 PHE 65 -11.877 -2.002 6.706 499 HE1 PHE 65 HE1 PHE 65 -16.550 -3.461 6.210 500 HE2 PHE 65 HE2 PHE 65 -13.544 -0.474 5.734 501 HZ PHE 65 HZ PHE 65 -15.882 -1.202 5.486 502 HA PRO 66 HA PRO 66 -9.625 -6.995 11.233 503 1HB PRO 66 1HB PRO 66 -11.182 -7.730 13.491 504 2HB PRO 66 2HB PRO 66 -9.895 -6.526 13.427 505 1HG PRO 66 1HG PRO 66 -12.585 -5.987 13.884 506 2HG PRO 66 2HG PRO 66 -11.372 -4.802 13.373 507 1HD PRO 66 1HD PRO 66 -13.397 -6.274 11.735 508 2HD PRO 66 2HD PRO 66 -12.823 -4.596 11.587 509 H ASP 67 H ASP 67 -12.494 -7.776 9.878 510 HA ASP 67 HA ASP 67 -12.726 -10.499 10.797 511 1HB ASP 67 1HB ASP 67 -14.742 -9.233 10.186 512 2HB ASP 67 2HB ASP 67 -14.153 -9.084 8.534 513 H TYR 68 H TYR 68 -11.035 -8.855 8.350 514 HA TYR 68 HA TYR 68 -10.560 -11.357 6.893 515 1HB TYR 68 1HB TYR 68 -11.278 -8.923 5.890 516 2HB TYR 68 2HB TYR 68 -9.527 -8.832 5.762 517 HD1 TYR 68 HD1 TYR 68 -11.640 -8.885 3.517 518 HD2 TYR 68 HD2 TYR 68 -9.229 -11.930 5.261 519 HE1 TYR 68 HE1 TYR 68 -11.728 -10.158 1.417 520 HE2 TYR 68 HE2 TYR 68 -9.309 -13.203 3.162 521 HH TYR 68 HH TYR 68 -10.751 -13.391 1.173 522 H THR 69 H THR 69 -8.131 -10.668 5.731 523 HA THR 69 HA THR 69 -6.336 -10.408 8.031 524 HB THR 69 HB THR 69 -4.902 -12.149 6.816 525 HG1 THR 69 HG1 THR 69 -6.271 -12.140 4.906 526 1HG2 THR 69 1HG2 THR 69 -5.988 -12.588 8.959 527 2HG2 THR 69 2HG2 THR 69 -6.039 -14.018 7.929 528 3HG2 THR 69 3HG2 THR 69 -7.479 -13.022 8.122 529 H TRP 70 H TRP 70 -5.319 -8.571 7.602 530 HA TRP 70 HA TRP 70 -4.916 -7.727 4.869 531 1HB TRP 70 1HB TRP 70 -4.306 -6.344 7.486 532 2HB TRP 70 2HB TRP 70 -4.141 -5.609 5.895 533 HD1 TRP 70 HD1 TRP 70 -6.717 -6.510 8.517 534 HE1 TRP 70 HE1 TRP 70 -9.011 -5.571 7.821 535 HE3 TRP 70 HE3 TRP 70 -5.557 -5.029 3.771 536 HZ2 TRP 70 HZ2 TRP 70 -10.168 -4.354 5.537 537 HZ3 TRP 70 HZ3 TRP 70 -7.303 -3.991 2.397 538 HH2 TRP 70 HH2 TRP 70 -9.565 -3.661 3.258 539 H GLN 71 H GLN 71 -3.302 -9.000 4.021 540 HA GLN 71 HA GLN 71 -0.745 -9.230 5.306 541 1HB GLN 71 1HB GLN 71 -1.781 -9.895 2.571 542 2HB GLN 71 2HB GLN 71 -0.051 -9.888 2.878 543 1HG GLN 71 1HG GLN 71 -0.779 -12.107 3.116 544 2HG GLN 71 2HG GLN 71 -0.466 -11.508 4.735 545 1HE2 GLN 71 1HE2 GLN 71 -2.948 -12.369 2.436 546 2HE2 GLN 71 2HE2 GLN 71 -4.231 -12.530 3.582 547 H VAL 72 H VAL 72 0.433 -7.490 5.626 548 HA VAL 72 HA VAL 72 0.362 -5.314 3.677 549 HB VAL 72 HB VAL 72 1.830 -5.337 6.320 550 1HG1 VAL 72 1HG1 VAL 72 0.955 -3.106 4.482 551 2HG1 VAL 72 2HG1 VAL 72 2.609 -3.655 4.749 552 3HG1 VAL 72 3HG1 VAL 72 1.712 -2.885 6.059 553 1HG2 VAL 72 1HG2 VAL 72 -0.071 -4.104 7.238 554 2HG2 VAL 72 2HG2 VAL 72 -0.560 -5.712 6.709 555 3HG2 VAL 72 3HG2 VAL 72 -0.943 -4.301 5.720 556 H ALA 73 H ALA 73 1.704 -5.523 2.051 557 HA ALA 73 HA ALA 73 4.340 -6.739 2.555 558 1HB ALA 73 1HB ALA 73 2.916 -8.162 1.169 559 2HB ALA 73 2HB ALA 73 4.300 -7.552 0.257 560 3HB ALA 73 3HB ALA 73 2.708 -6.837 0.023 561 H ILE 74 H ILE 74 6.122 -5.824 1.633 562 HA ILE 74 HA ILE 74 5.736 -3.219 0.309 563 HB ILE 74 HB ILE 74 7.926 -2.556 1.415 564 1HG1 ILE 74 1HG1 ILE 74 7.225 -4.968 3.102 565 2HG1 ILE 74 2HG1 ILE 74 8.670 -4.756 2.125 566 1HG2 ILE 74 1HG2 ILE 74 6.826 -1.887 3.512 567 2HG2 ILE 74 2HG2 ILE 74 5.505 -3.002 3.160 568 3HG2 ILE 74 3HG2 ILE 74 5.795 -1.616 2.106 569 1HD1 ILE 74 1HD1 ILE 74 9.395 -2.941 3.583 570 2HD1 ILE 74 2HD1 ILE 74 9.149 -4.444 4.476 571 3HD1 ILE 74 3HD1 ILE 74 7.944 -3.159 4.562 572 H ALA 75 H ALA 75 7.075 -2.782 -1.413 573 HA ALA 75 HA ALA 75 8.648 -5.097 -2.325 574 1HB ALA 75 1HB ALA 75 8.208 -4.350 -4.599 575 2HB ALA 75 2HB ALA 75 7.320 -2.955 -3.982 576 3HB ALA 75 3HB ALA 75 6.703 -4.584 -3.710 577 H ASP 76 H ASP 76 10.708 -4.846 -3.043 578 HA ASP 76 HA ASP 76 12.222 -2.578 -2.304 579 1HB ASP 76 1HB ASP 76 13.226 -4.799 -2.524 580 2HB ASP 76 2HB ASP 76 12.879 -4.811 -4.245 581 H LEU 77 H LEU 77 13.504 -1.268 -3.856 582 HA LEU 77 HA LEU 77 11.815 0.292 -5.404 583 1HB LEU 77 1HB LEU 77 13.933 1.064 -4.452 584 2HB LEU 77 2HB LEU 77 14.816 0.035 -5.561 585 HG LEU 77 HG LEU 77 13.904 1.347 -7.449 586 1HD1 LEU 77 1HD1 LEU 77 11.867 2.165 -6.396 587 2HD1 LEU 77 2HD1 LEU 77 12.844 3.505 -6.998 588 3HD1 LEU 77 3HD1 LEU 77 12.824 3.133 -5.274 589 1HD2 LEU 77 1HD2 LEU 77 15.289 3.343 -7.051 590 2HD2 LEU 77 2HD2 LEU 77 16.105 1.852 -6.580 591 3HD2 LEU 77 3HD2 LEU 77 15.402 2.902 -5.348 592 H GLU 78 H GLU 78 14.049 -2.281 -6.419 593 HA GLU 78 HA GLU 78 13.568 -1.906 -9.217 594 1HB GLU 78 1HB GLU 78 14.715 -4.243 -7.691 595 2HB GLU 78 2HB GLU 78 14.694 -4.117 -9.440 596 1HG GLU 78 1HG GLU 78 16.132 -2.167 -9.337 597 2HG GLU 78 2HG GLU 78 16.115 -2.236 -7.575 598 H GLN 79 H GLN 79 12.124 -3.810 -6.695 599 HA GLN 79 HA GLN 79 10.791 -5.631 -8.472 600 1HB GLN 79 1HB GLN 79 10.550 -5.152 -5.500 601 2HB GLN 79 2HB GLN 79 9.714 -6.437 -6.365 602 1HG GLN 79 1HG GLN 79 11.726 -7.536 -6.894 603 2HG GLN 79 2HG GLN 79 12.699 -6.139 -6.436 604 1HE2 GLN 79 1HE2 GLN 79 13.941 -7.399 -5.048 605 2HE2 GLN 79 2HE2 GLN 79 13.334 -7.921 -3.513 606 H SER 80 H SER 80 10.024 -2.646 -6.848 607 HA SER 80 HA SER 80 7.193 -2.906 -7.136 608 1HB SER 80 1HB SER 80 7.260 -0.419 -6.530 609 2HB SER 80 2HB SER 80 7.901 -1.547 -5.337 610 HG SER 80 HG SER 80 9.159 0.458 -6.666 611 H GLU 81 H GLU 81 9.800 -1.557 -9.031 612 HA GLU 81 HA GLU 81 8.429 -0.020 -10.869 613 1HB GLU 81 1HB GLU 81 10.701 -1.935 -11.433 614 2HB GLU 81 2HB GLU 81 10.191 -0.622 -12.474 615 1HG GLU 81 1HG GLU 81 10.857 0.993 -10.773 616 2HG GLU 81 2HG GLU 81 11.363 -0.333 -9.722 617 H ALA 82 H ALA 82 9.077 -3.492 -10.928 618 HA ALA 82 HA ALA 82 7.782 -3.875 -13.440 619 1HB ALA 82 1HB ALA 82 8.140 -6.251 -13.050 620 2HB ALA 82 2HB ALA 82 8.549 -5.930 -11.366 621 3HB ALA 82 3HB ALA 82 9.595 -5.335 -12.656 622 H ILE 83 H ILE 83 6.799 -4.244 -10.080 623 HA ILE 83 HA ILE 83 4.369 -5.612 -10.659 624 HB ILE 83 HB ILE 83 5.163 -4.030 -8.207 625 1HG1 ILE 83 1HG1 ILE 83 5.147 -7.007 -8.757 626 2HG1 ILE 83 2HG1 ILE 83 6.581 -5.988 -8.702 627 1HG2 ILE 83 1HG2 ILE 83 2.734 -4.188 -8.377 628 2HG2 ILE 83 2HG2 ILE 83 3.335 -5.205 -7.066 629 3HG2 ILE 83 3HG2 ILE 83 2.852 -5.934 -8.597 630 1HD1 ILE 83 1HD1 ILE 83 6.313 -7.257 -6.657 631 2HD1 ILE 83 2HD1 ILE 83 4.718 -6.547 -6.403 632 3HD1 ILE 83 3HD1 ILE 83 6.158 -5.530 -6.345 633 H GLY 84 H GLY 84 5.164 -2.214 -9.989 634 1HA GLY 84 1HA GLY 84 2.533 -1.216 -10.283 635 2HA GLY 84 2HA GLY 84 4.014 -0.283 -10.455 636 H ASP 85 H ASP 85 5.241 -1.426 -12.556 637 HA ASP 85 HA ASP 85 4.063 -0.288 -14.800 638 1HB ASP 85 1HB ASP 85 6.470 -0.891 -14.595 639 2HB ASP 85 2HB ASP 85 6.030 -2.586 -14.729 640 H ARG 86 H ARG 86 3.996 -3.594 -13.636 641 HA ARG 86 HA ARG 86 2.883 -4.882 -15.826 642 1HB ARG 86 1HB ARG 86 3.894 -5.906 -13.758 643 2HB ARG 86 2HB ARG 86 2.383 -5.563 -12.932 644 1HG ARG 86 1HG ARG 86 1.203 -7.012 -14.522 645 2HG ARG 86 2HG ARG 86 2.742 -7.379 -15.307 646 1HD ARG 86 1HD ARG 86 3.567 -8.173 -13.066 647 2HD ARG 86 2HD ARG 86 1.910 -8.025 -12.487 648 HE ARG 86 HE ARG 86 1.644 -9.588 -14.675 649 1HH1 ARG 86 1HH1 ARG 86 3.559 -9.739 -11.761 650 2HH1 ARG 86 2HH1 ARG 86 3.818 -11.450 -11.850 651 1HH2 ARG 86 1HH2 ARG 86 1.921 -11.862 -14.792 652 2HH2 ARG 86 2HH2 ARG 86 2.861 -12.673 -13.572 653 H PHE 87 H PHE 87 1.313 -3.115 -13.219 654 HA PHE 87 HA PHE 87 -1.311 -3.941 -14.226 655 1HB PHE 87 1HB PHE 87 -0.717 -4.010 -11.748 656 2HB PHE 87 2HB PHE 87 -0.764 -2.251 -11.784 657 HD1 PHE 87 HD1 PHE 87 -2.845 -1.069 -11.893 658 HD2 PHE 87 HD2 PHE 87 -2.753 -5.320 -12.085 659 HE1 PHE 87 HE1 PHE 87 -5.273 -1.132 -11.520 660 HE2 PHE 87 HE2 PHE 87 -5.185 -5.389 -11.711 661 HZ PHE 87 HZ PHE 87 -6.447 -3.294 -11.428 662 H GLY 88 H GLY 88 0.724 -1.121 -13.814 663 1HA GLY 88 1HA GLY 88 0.447 0.685 -15.450 664 2HA GLY 88 2HA GLY 88 -1.291 0.474 -15.275 665 H VAL 89 H VAL 89 0.244 0.086 -12.338 666 HA VAL 89 HA VAL 89 -0.864 2.546 -11.330 667 HB VAL 89 HB VAL 89 0.795 0.470 -9.882 668 1HG1 VAL 89 1HG1 VAL 89 -1.038 2.607 -8.795 669 2HG1 VAL 89 2HG1 VAL 89 0.724 2.623 -8.725 670 3HG1 VAL 89 3HG1 VAL 89 -0.181 1.393 -7.844 671 1HG2 VAL 89 1HG2 VAL 89 -1.198 -0.538 -10.819 672 2HG2 VAL 89 2HG2 VAL 89 -2.197 0.736 -10.120 673 3HG2 VAL 89 3HG2 VAL 89 -1.354 -0.398 -9.066 674 H PHE 90 H PHE 90 2.209 1.415 -12.395 675 HA PHE 90 HA PHE 90 3.947 3.011 -10.900 676 1HB PHE 90 1HB PHE 90 4.581 1.105 -12.439 677 2HB PHE 90 2HB PHE 90 4.365 2.218 -13.786 678 HD1 PHE 90 HD1 PHE 90 6.059 3.730 -14.391 679 HD2 PHE 90 HD2 PHE 90 6.316 1.612 -10.711 680 HE1 PHE 90 HE1 PHE 90 8.377 4.503 -14.112 681 HE2 PHE 90 HE2 PHE 90 8.632 2.385 -10.422 682 HZ PHE 90 HZ PHE 90 9.667 3.831 -12.124 683 H ARG 91 H ARG 91 3.695 5.092 -10.664 684 HA ARG 91 HA ARG 91 4.088 7.018 -12.631 685 1HB ARG 91 1HB ARG 91 1.848 6.282 -13.447 686 2HB ARG 91 2HB ARG 91 1.168 6.681 -11.877 687 1HG ARG 91 1HG ARG 91 1.651 9.016 -12.204 688 2HG ARG 91 2HG ARG 91 2.495 8.668 -13.713 689 1HD ARG 91 1HD ARG 91 0.309 9.476 -14.248 690 2HD ARG 91 2HD ARG 91 0.367 7.755 -14.622 691 HE ARG 91 HE ARG 91 -0.637 8.124 -12.013 692 1HH1 ARG 91 1HH1 ARG 91 -1.534 8.507 -15.372 693 2HH1 ARG 91 2HH1 ARG 91 -3.244 8.407 -15.064 694 1HH2 ARG 91 1HH2 ARG 91 -2.923 7.986 -11.604 695 2HH2 ARG 91 2HH2 ARG 91 -4.025 8.116 -12.941 696 H PHE 92 H PHE 92 2.490 6.113 -9.659 697 HA PHE 92 HA PHE 92 3.760 8.334 -8.271 698 1HB PHE 92 1HB PHE 92 1.626 8.918 -7.118 699 2HB PHE 92 2HB PHE 92 1.584 9.264 -8.843 700 HD1 PHE 92 HD1 PHE 92 0.123 7.374 -6.131 701 HD2 PHE 92 HD2 PHE 92 0.313 7.761 -10.368 702 HE1 PHE 92 HE1 PHE 92 -1.924 6.029 -6.344 703 HE2 PHE 92 HE2 PHE 92 -1.732 6.415 -10.585 704 HZ PHE 92 HZ PHE 92 -2.854 5.547 -8.573 705 HA PRO 93 HA PRO 93 4.174 5.063 -5.282 706 1HB PRO 93 1HB PRO 93 4.906 6.933 -3.234 707 2HB PRO 93 2HB PRO 93 5.965 5.892 -4.184 708 1HG PRO 93 1HG PRO 93 5.888 8.643 -4.354 709 2HG PRO 93 2HG PRO 93 6.516 7.568 -5.612 710 1HD PRO 93 1HD PRO 93 3.883 8.962 -5.440 711 2HD PRO 93 2HD PRO 93 4.885 8.609 -6.864 712 H ALA 94 H ALA 94 2.629 4.114 -4.174 713 HA ALA 94 HA ALA 94 1.006 5.523 -2.263 714 1HB ALA 94 1HB ALA 94 -0.111 6.126 -4.352 715 2HB ALA 94 2HB ALA 94 -1.130 5.088 -3.355 716 3HB ALA 94 3HB ALA 94 -0.288 4.418 -4.754 717 H THR 95 H THR 95 -0.792 3.992 -1.466 718 HA THR 95 HA THR 95 0.375 1.318 -1.175 719 HB THR 95 HB THR 95 -1.841 2.569 0.461 720 HG1 THR 95 HG1 THR 95 0.883 2.334 1.235 721 1HG2 THR 95 1HG2 THR 95 -1.223 0.842 2.103 722 2HG2 THR 95 2HG2 THR 95 -0.031 0.203 0.971 723 3HG2 THR 95 3HG2 THR 95 -1.748 0.131 0.577 724 H LEU 96 H LEU 96 -0.488 -0.268 -2.344 725 HA LEU 96 HA LEU 96 -3.118 0.108 -3.560 726 1HB LEU 96 1HB LEU 96 -1.062 -2.060 -4.008 727 2HB LEU 96 2HB LEU 96 -2.522 -1.817 -4.946 728 HG LEU 96 HG LEU 96 -0.195 0.098 -4.820 729 1HD1 LEU 96 1HD1 LEU 96 0.374 -1.929 -6.016 730 2HD1 LEU 96 2HD1 LEU 96 0.171 -0.596 -7.150 731 3HD1 LEU 96 3HD1 LEU 96 -1.101 -1.803 -6.974 732 1HD2 LEU 96 1HD2 LEU 96 -2.339 1.225 -5.156 733 2HD2 LEU 96 2HD2 LEU 96 -2.694 0.145 -6.504 734 3HD2 LEU 96 3HD2 LEU 96 -1.348 1.279 -6.613 735 H VAL 97 H VAL 97 -4.865 -0.788 -2.663 736 HA VAL 97 HA VAL 97 -4.458 -2.887 -0.668 737 HB VAL 97 HB VAL 97 -5.810 -1.054 0.124 738 1HG1 VAL 97 1HG1 VAL 97 -7.974 -0.484 -0.869 739 2HG1 VAL 97 2HG1 VAL 97 -7.653 -1.604 -2.193 740 3HG1 VAL 97 3HG1 VAL 97 -6.635 -0.180 -1.976 741 1HG2 VAL 97 1HG2 VAL 97 -7.518 -3.481 -0.411 742 2HG2 VAL 97 2HG2 VAL 97 -7.829 -2.253 0.815 743 3HG2 VAL 97 3HG2 VAL 97 -6.394 -3.270 0.933 744 H PHE 98 H PHE 98 -5.072 -4.913 -0.939 745 HA PHE 98 HA PHE 98 -6.566 -5.594 -3.391 746 1HB PHE 98 1HB PHE 98 -4.340 -7.168 -2.070 747 2HB PHE 98 2HB PHE 98 -5.276 -7.705 -3.458 748 HD1 PHE 98 HD1 PHE 98 -5.004 -6.602 -5.635 749 HD2 PHE 98 HD2 PHE 98 -2.558 -5.608 -2.298 750 HE1 PHE 98 HE1 PHE 98 -3.391 -5.531 -7.146 751 HE2 PHE 98 HE2 PHE 98 -0.940 -4.527 -3.806 752 HZ PHE 98 HZ PHE 98 -1.356 -4.489 -6.234 753 H THR 99 H THR 99 -8.229 -7.011 -3.158 754 HA THR 99 HA THR 99 -8.559 -8.434 -0.625 755 HB THR 99 HB THR 99 -10.881 -6.895 -1.757 756 HG1 THR 99 HG1 THR 99 -9.120 -6.027 0.329 757 1HG2 THR 99 1HG2 THR 99 -11.410 -8.701 -0.222 758 2HG2 THR 99 2HG2 THR 99 -11.764 -7.143 0.522 759 3HG2 THR 99 3HG2 THR 99 -10.309 -8.026 0.979 760 H GLY 100 H GLY 100 -9.988 -10.221 -0.814 761 1HA GLY 100 1HA GLY 100 -10.731 -12.108 -1.897 762 2HA GLY 100 2HA GLY 100 -11.433 -10.994 -3.060 763 H GLY 101 H GLY 101 -7.992 -11.123 -2.517 764 1HA GLY 101 1HA GLY 101 -6.250 -11.970 -3.766 765 2HA GLY 101 2HA GLY 101 -7.405 -13.019 -4.573 766 H ASN 102 H ASN 102 -8.252 -9.717 -4.673 767 HA ASN 102 HA ASN 102 -6.972 -9.359 -7.286 768 1HB ASN 102 1HB ASN 102 -9.907 -9.084 -6.674 769 2HB ASN 102 2HB ASN 102 -9.162 -8.326 -8.074 770 1HD2 ASN 102 1HD2 ASN 102 -10.057 -11.323 -6.577 771 2HD2 ASN 102 2HD2 ASN 102 -9.889 -12.321 -7.984 772 H TYR 103 H TYR 103 -7.659 -7.006 -8.068 773 HA TYR 103 HA TYR 103 -6.418 -5.270 -6.134 774 1HB TYR 103 1HB TYR 103 -5.831 -5.187 -8.538 775 2HB TYR 103 2HB TYR 103 -7.470 -4.668 -8.909 776 HD1 TYR 103 HD1 TYR 103 -8.005 -2.392 -8.924 777 HD2 TYR 103 HD2 TYR 103 -4.431 -3.672 -7.004 778 HE1 TYR 103 HE1 TYR 103 -7.321 -0.047 -8.646 779 HE2 TYR 103 HE2 TYR 103 -3.738 -1.331 -6.720 780 HH TYR 103 HH TYR 103 -4.155 0.844 -7.678 781 H ARG 104 H ARG 104 -7.399 -3.829 -4.847 782 HA ARG 104 HA ARG 104 -10.322 -3.639 -5.061 783 1HB ARG 104 1HB ARG 104 -9.281 -4.592 -2.980 784 2HB ARG 104 2HB ARG 104 -8.586 -3.008 -2.674 785 1HG ARG 104 1HG ARG 104 -10.501 -3.122 -1.338 786 2HG ARG 104 2HG ARG 104 -10.955 -2.115 -2.713 787 1HD ARG 104 1HD ARG 104 -11.521 -5.071 -2.560 788 2HD ARG 104 2HD ARG 104 -12.648 -3.845 -1.988 789 HE ARG 104 HE ARG 104 -11.739 -3.926 -4.795 790 1HH1 ARG 104 1HH1 ARG 104 -14.277 -3.785 -2.395 791 2HH1 ARG 104 2HH1 ARG 104 -15.551 -3.576 -3.566 792 1HH2 ARG 104 1HH2 ARG 104 -13.434 -3.691 -6.352 793 2HH2 ARG 104 2HH2 ARG 104 -15.072 -3.553 -5.790 794 H GLY 105 H GLY 105 -7.477 -1.619 -4.252 795 1HA GLY 105 1HA GLY 105 -8.363 0.583 -5.789 796 2HA GLY 105 2HA GLY 105 -8.829 0.825 -4.113 797 H VAL 106 H VAL 106 -7.357 2.742 -4.520 798 HA VAL 106 HA VAL 106 -4.619 2.018 -3.779 799 HB VAL 106 HB VAL 106 -4.553 2.445 -6.167 800 1HG1 VAL 106 1HG1 VAL 106 -6.543 3.812 -6.402 801 2HG1 VAL 106 2HG1 VAL 106 -5.152 4.632 -7.110 802 3HG1 VAL 106 3HG1 VAL 106 -5.764 5.133 -5.534 803 1HG2 VAL 106 1HG2 VAL 106 -2.908 4.262 -6.226 804 2HG2 VAL 106 2HG2 VAL 106 -2.630 3.158 -4.877 805 3HG2 VAL 106 3HG2 VAL 106 -3.379 4.731 -4.593 806 H LEU 107 H LEU 107 -3.767 3.225 -2.194 807 HA LEU 107 HA LEU 107 -5.203 5.669 -1.367 808 1HB LEU 107 1HB LEU 107 -3.543 3.754 0.280 809 2HB LEU 107 2HB LEU 107 -4.234 5.248 0.883 810 HG LEU 107 HG LEU 107 -5.839 2.914 -0.164 811 1HD1 LEU 107 1HD1 LEU 107 -6.425 2.560 2.205 812 2HD1 LEU 107 2HD1 LEU 107 -5.233 3.778 2.659 813 3HD1 LEU 107 3HD1 LEU 107 -4.715 2.286 1.876 814 1HD2 LEU 107 1HD2 LEU 107 -7.740 4.089 0.806 815 2HD2 LEU 107 2HD2 LEU 107 -6.942 5.089 -0.409 816 3HD2 LEU 107 3HD2 LEU 107 -6.683 5.412 1.305 817 H ASN 108 H ASN 108 -4.110 7.428 -2.035 818 HA ASN 108 HA ASN 108 -1.170 7.327 -1.925 819 1HB ASN 108 1HB ASN 108 -1.112 8.818 -3.884 820 2HB ASN 108 2HB ASN 108 -1.918 7.298 -4.246 821 1HD2 ASN 108 1HD2 ASN 108 -2.078 9.906 -5.548 822 2HD2 ASN 108 2HD2 ASN 108 -3.755 10.328 -5.553 823 H GLY 109 H GLY 109 -0.196 8.826 -0.730 824 1HA GLY 109 1HA GLY 109 0.279 10.950 0.080 825 2HA GLY 109 2HA GLY 109 -1.237 11.517 -0.598 826 H ILE 110 H ILE 110 -0.106 12.111 1.983 827 HA ILE 110 HA ILE 110 -1.447 10.689 4.040 828 HB ILE 110 HB ILE 110 -0.437 13.541 4.048 829 1HG1 ILE 110 1HG1 ILE 110 1.338 11.925 3.563 830 2HG1 ILE 110 2HG1 ILE 110 1.546 12.619 5.166 831 1HG2 ILE 110 1HG2 ILE 110 -2.051 13.147 5.833 832 2HG2 ILE 110 2HG2 ILE 110 -0.424 13.349 6.484 833 3HG2 ILE 110 3HG2 ILE 110 -1.132 11.738 6.364 834 1HD1 ILE 110 1HD1 ILE 110 0.599 10.602 6.162 835 2HD1 ILE 110 2HD1 ILE 110 2.014 10.241 5.171 836 3HD1 ILE 110 3HD1 ILE 110 0.397 9.907 4.554 837 H HIS 111 H HIS 111 -3.438 10.907 4.890 838 HA HIS 111 HA HIS 111 -5.093 13.187 4.107 839 1HB HIS 111 1HB HIS 111 -5.779 10.279 3.694 840 2HB HIS 111 2HB HIS 111 -7.030 11.506 3.854 841 HD1 HIS 111 HD1 HIS 111 -4.360 10.290 1.515 842 HD2 HIS 111 HD2 HIS 111 -7.329 13.205 1.641 843 HE1 HIS 111 HE1 HIS 111 -4.597 11.124 -0.843 844 HE2 HIS 111 HE2 HIS 111 -6.270 12.994 -0.714 845 HA PRO 112 HA PRO 112 -6.190 13.175 8.410 846 1HB PRO 112 1HB PRO 112 -8.863 14.065 7.485 847 2HB PRO 112 2HB PRO 112 -7.744 14.842 8.609 848 1HG PRO 112 1HG PRO 112 -8.094 15.805 6.151 849 2HG PRO 112 2HG PRO 112 -6.492 15.798 6.911 850 1HD PRO 112 1HD PRO 112 -7.610 13.957 4.830 851 2HD PRO 112 2HD PRO 112 -5.982 14.655 4.961 852 H TRP 113 H TRP 113 -7.738 12.185 9.887 853 HA TRP 113 HA TRP 113 -7.979 9.487 9.287 854 1HB TRP 113 1HB TRP 113 -7.773 10.401 11.559 855 2HB TRP 113 2HB TRP 113 -9.413 11.022 11.458 856 HD1 TRP 113 HD1 TRP 113 -10.565 9.577 13.283 857 HE1 TRP 113 HE1 TRP 113 -10.986 7.054 13.601 858 HE3 TRP 113 HE3 TRP 113 -7.587 7.778 9.534 859 HZ2 TRP 113 HZ2 TRP 113 -10.172 4.629 12.406 860 HZ3 TRP 113 HZ3 TRP 113 -7.476 5.350 9.180 861 HH2 TRP 113 HH2 TRP 113 -8.746 3.810 10.581 862 H ALA 114 H ALA 114 -10.603 11.909 9.400 863 HA ALA 114 HA ALA 114 -12.695 10.099 8.888 864 1HB ALA 114 1HB ALA 114 -12.553 13.042 8.229 865 2HB ALA 114 2HB ALA 114 -13.097 12.341 9.754 866 3HB ALA 114 3HB ALA 114 -14.024 12.063 8.280 867 H GLU 115 H GLU 115 -10.897 12.217 6.683 868 HA GLU 115 HA GLU 115 -12.047 11.397 4.267 869 1HB GLU 115 1HB GLU 115 -10.550 13.357 4.573 870 2HB GLU 115 2HB GLU 115 -9.190 12.268 4.782 871 1HG GLU 115 1HG GLU 115 -9.063 13.040 2.574 872 2HG GLU 115 2HG GLU 115 -9.691 11.396 2.468 873 H LEU 116 H LEU 116 -9.337 10.064 6.109 874 HA LEU 116 HA LEU 116 -8.451 8.213 4.194 875 1HB LEU 116 1HB LEU 116 -7.235 8.946 6.271 876 2HB LEU 116 2HB LEU 116 -8.299 7.900 7.191 877 HG LEU 116 HG LEU 116 -7.441 5.949 5.938 878 1HD1 LEU 116 1HD1 LEU 116 -5.465 6.192 4.534 879 2HD1 LEU 116 2HD1 LEU 116 -5.523 7.942 4.743 880 3HD1 LEU 116 3HD1 LEU 116 -6.819 7.112 3.883 881 1HD2 LEU 116 1HD2 LEU 116 -6.449 6.570 8.080 882 2HD2 LEU 116 2HD2 LEU 116 -5.313 7.635 7.252 883 3HD2 LEU 116 3HD2 LEU 116 -5.240 5.892 6.992 884 H ILE 117 H ILE 117 -10.688 7.803 6.935 885 HA ILE 117 HA ILE 117 -11.360 5.113 6.460 886 HB ILE 117 HB ILE 117 -13.170 7.274 7.574 887 1HG1 ILE 117 1HG1 ILE 117 -11.380 5.339 9.060 888 2HG1 ILE 117 2HG1 ILE 117 -11.026 7.046 8.811 889 1HG2 ILE 117 1HG2 ILE 117 -14.425 5.319 6.924 890 2HG2 ILE 117 2HG2 ILE 117 -14.322 5.391 8.683 891 3HG2 ILE 117 3HG2 ILE 117 -13.299 4.269 7.786 892 1HD1 ILE 117 1HD1 ILE 117 -11.927 6.678 11.025 893 2HD1 ILE 117 2HD1 ILE 117 -13.365 5.927 10.338 894 3HD1 ILE 117 3HD1 ILE 117 -13.047 7.637 10.062 895 H ASN 118 H ASN 118 -12.785 8.125 5.332 896 HA ASN 118 HA ASN 118 -15.024 7.173 3.998 897 1HB ASN 118 1HB ASN 118 -14.393 9.564 4.500 898 2HB ASN 118 2HB ASN 118 -13.303 9.501 3.130 899 1HD2 ASN 118 1HD2 ASN 118 -14.078 9.778 1.131 900 2HD2 ASN 118 2HD2 ASN 118 -15.746 10.034 0.752 901 H LEU 119 H LEU 119 -11.848 7.954 2.644 902 HA LEU 119 HA LEU 119 -12.343 7.000 0.050 903 1HB LEU 119 1HB LEU 119 -9.728 7.214 1.539 904 2HB LEU 119 2HB LEU 119 -9.882 6.962 -0.187 905 HG LEU 119 HG LEU 119 -10.824 9.398 1.313 906 1HD1 LEU 119 1HD1 LEU 119 -9.001 10.537 0.155 907 2HD1 LEU 119 2HD1 LEU 119 -8.486 9.004 -0.548 908 3HD1 LEU 119 3HD1 LEU 119 -8.398 9.249 1.198 909 1HD2 LEU 119 1HD2 LEU 119 -10.797 8.790 -1.641 910 2HD2 LEU 119 2HD2 LEU 119 -11.210 10.342 -0.916 911 3HD2 LEU 119 3HD2 LEU 119 -12.227 8.932 -0.618 912 H MET 120 H MET 120 -10.823 5.384 2.831 913 HA MET 120 HA MET 120 -10.133 3.004 1.509 914 1HB MET 120 1HB MET 120 -9.318 3.648 3.759 915 2HB MET 120 2HB MET 120 -10.919 3.320 4.409 916 1HG MET 120 1HG MET 120 -9.423 1.466 4.835 917 2HG MET 120 2HG MET 120 -10.717 0.982 3.740 918 1HE MET 120 1HE MET 120 -9.305 -1.190 3.133 919 2HE MET 120 2HE MET 120 -7.995 -0.671 4.193 920 3HE MET 120 3HE MET 120 -7.650 -1.148 2.531 921 H ARG 121 H ARG 121 -13.077 3.937 3.219 922 HA ARG 121 HA ARG 121 -14.375 1.427 3.015 923 1HB ARG 121 1HB ARG 121 -14.937 3.286 4.608 924 2HB ARG 121 2HB ARG 121 -15.633 4.163 3.257 925 1HG ARG 121 1HG ARG 121 -17.333 2.495 2.974 926 2HG ARG 121 2HG ARG 121 -16.587 1.467 4.202 927 1HD ARG 121 1HD ARG 121 -16.966 3.227 5.876 928 2HD ARG 121 2HD ARG 121 -17.745 4.218 4.644 929 HE ARG 121 HE ARG 121 -19.316 2.142 4.510 930 1HH1 ARG 121 1HH1 ARG 121 -17.817 3.417 7.394 931 2HH1 ARG 121 2HH1 ARG 121 -19.167 3.046 8.423 932 1HH2 ARG 121 1HH2 ARG 121 -21.101 1.611 5.873 933 2HH2 ARG 121 2HH2 ARG 121 -21.011 1.997 7.569 934 H GLY 122 H GLY 122 -14.222 4.247 0.926 935 1HA GLY 122 1HA GLY 122 -16.254 3.399 -0.884 936 2HA GLY 122 2HA GLY 122 -14.996 4.582 -1.217 937 H LEU 123 H LEU 123 -12.849 2.702 -0.585 938 HA LEU 123 HA LEU 123 -12.678 1.454 -3.182 939 1HB LEU 123 1HB LEU 123 -10.703 1.549 -0.905 940 2HB LEU 123 2HB LEU 123 -10.370 0.924 -2.505 941 HG LEU 123 HG LEU 123 -11.077 3.787 -1.868 942 1HD1 LEU 123 1HD1 LEU 123 -8.754 4.257 -2.440 943 2HD1 LEU 123 2HD1 LEU 123 -8.451 2.533 -2.651 944 3HD1 LEU 123 3HD1 LEU 123 -8.863 3.167 -1.058 945 1HD2 LEU 123 1HD2 LEU 123 -10.211 2.516 -4.460 946 2HD2 LEU 123 2HD2 LEU 123 -10.531 4.230 -4.193 947 3HD2 LEU 123 3HD2 LEU 123 -11.845 3.058 -4.083 948 H VAL 124 H VAL 124 -12.447 0.348 0.207 949 HA VAL 124 HA VAL 124 -12.138 -2.384 -0.475 950 HB VAL 124 HB VAL 124 -11.467 -1.398 1.722 951 1HG1 VAL 124 1HG1 VAL 124 -13.445 -0.071 2.196 952 2HG1 VAL 124 2HG1 VAL 124 -13.136 -1.221 3.497 953 3HG1 VAL 124 3HG1 VAL 124 -14.415 -1.539 2.325 954 1HG2 VAL 124 1HG2 VAL 124 -11.558 -3.804 1.415 955 2HG2 VAL 124 2HG2 VAL 124 -13.271 -3.814 1.828 956 3HG2 VAL 124 3HG2 VAL 124 -12.076 -3.380 3.048 957 H GLU 125 H GLU 125 -14.911 -0.355 0.037 958 HA GLU 125 HA GLU 125 -17.114 -0.604 -0.252 959 1HB GLU 125 1HB GLU 125 -16.581 -1.194 -2.421 960 2HB GLU 125 2HB GLU 125 -15.938 -2.747 -1.936 961 1HG GLU 125 1HG GLU 125 -18.317 -3.369 -1.301 962 2HG GLU 125 2HG GLU 125 -18.809 -1.911 -2.165 963 HA PRO 126 HA PRO 126 -18.043 -3.710 2.899 964 1HB PRO 126 1HB PRO 126 -19.473 -2.111 4.490 965 2HB PRO 126 2HB PRO 126 -17.709 -2.013 4.454 966 1HG PRO 126 1HG PRO 126 -19.731 -0.203 3.234 967 2HG PRO 126 2HG PRO 126 -18.148 0.184 3.928 968 1HD PRO 126 1HD PRO 126 -18.751 -0.131 1.192 969 2HD PRO 126 2HD PRO 126 -17.132 -0.044 1.913 970 H GLN 127 H GLN 127 -20.220 -4.441 3.739 971 HA GLN 127 HA GLN 127 -22.124 -4.501 1.615 972 1HB GLN 127 1HB GLN 127 -22.182 -5.612 4.419 973 2HB GLN 127 2HB GLN 127 -23.414 -5.908 3.210 974 1HG GLN 127 1HG GLN 127 -21.701 -6.930 1.759 975 2HG GLN 127 2HG GLN 127 -20.524 -6.705 3.048 976 1HE2 GLN 127 1HE2 GLN 127 -22.539 -7.325 5.118 977 2HE2 GLN 127 2HE2 GLN 127 -22.724 -9.046 5.071 978 H GLN 128 H GLN 128 -21.470 -2.385 4.004 979 HA GLN 128 HA GLN 128 -24.103 -1.149 3.752 980 1HB GLN 128 1HB GLN 128 -23.709 -0.171 6.051 981 2HB GLN 128 2HB GLN 128 -24.036 -1.897 6.011 982 1HG GLN 128 1HG GLN 128 -21.562 -2.271 6.125 983 2HG GLN 128 2HG GLN 128 -21.382 -0.540 6.405 984 1HE2 GLN 128 1HE2 GLN 128 -22.421 -3.565 7.713 985 2HE2 GLN 128 2HE2 GLN 128 -22.621 -3.025 9.349 986 H GLU 129 H GLU 129 -23.508 0.167 2.100 987 HA GLU 129 HA GLU 129 -20.972 1.598 2.286 988 1HB GLU 129 1HB GLU 129 -21.330 2.122 -0.107 989 2HB GLU 129 2HB GLU 129 -21.308 0.398 0.225 990 1HG GLU 129 1HG GLU 129 -23.852 1.975 -0.060 991 2HG GLU 129 2HG GLU 129 -23.037 1.210 -1.420 992 H ARG 130 H ARG 130 -20.775 3.782 1.914 993 HA ARG 130 HA ARG 130 -23.196 5.426 2.113 994 1HB ARG 130 1HB ARG 130 -20.694 5.566 3.787 995 2HB ARG 130 2HB ARG 130 -21.685 6.992 3.527 996 1HG ARG 130 1HG ARG 130 -22.810 4.448 4.651 997 2HG ARG 130 2HG ARG 130 -22.066 5.687 5.663 998 1HD ARG 130 1HD ARG 130 -24.318 6.240 5.736 999 2HD ARG 130 2HD ARG 130 -23.688 7.308 4.487 1000 HE ARG 130 HE ARG 130 -25.208 4.831 3.961 1001 1HH1 ARG 130 1HH1 ARG 130 -24.173 8.054 3.017 1002 2HH1 ARG 130 2HH1 ARG 130 -25.331 8.172 1.716 1003 1HH2 ARG 130 1HH2 ARG 130 -26.718 4.995 2.260 1004 2HH2 ARG 130 2HH2 ARG 130 -26.746 6.421 1.267 1005 H ALA 131 H ALA 131 -23.245 6.495 0.220 1006 HA ALA 131 HA ALA 131 -20.697 7.207 -1.040 1007 1HB ALA 131 1HB ALA 131 -23.468 7.184 -2.227 1008 2HB ALA 131 2HB ALA 131 -22.269 5.897 -2.374 1009 3HB ALA 131 3HB ALA 131 -21.960 7.475 -3.095 1010 H SER 132 H SER 132 -20.188 9.022 0.191 1011 HA SER 132 HA SER 132 -21.383 11.439 -0.866 1012 1HB SER 132 1HB SER 132 -21.240 10.920 2.118 1013 2HB SER 132 2HB SER 132 -21.602 12.480 1.383 1014 HG SER 132 HG SER 132 -23.152 10.373 0.488
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