NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617602 | 5mww | 34089 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -13.634 3.845 -5.377 2 H2 ALA 1 HT2 ALA 1 -13.584 3.493 -7.029 3 H3 ALA 1 HT3 ALA 1 -15.058 3.516 -6.199 4 HA ALA 1 HA ALA 1 -13.300 5.859 -6.532 5 HB1 ALA 1 HB1 ALA 1 -15.833 5.128 -7.994 6 HB2 ALA 1 HB2 ALA 1 -14.209 5.178 -8.680 7 HB3 ALA 1 HB3 ALA 1 -14.979 6.662 -8.124 8 H ASP 2 HN ASP 2 -14.661 4.708 -4.093 9 HA ASP 2 HA ASP 2 -16.934 6.498 -3.690 10 HB2 ASP 2 HB2 ASP 2 -17.059 4.144 -2.839 11 HB3 ASP 2 HB1 ASP 2 -15.710 4.487 -1.764 12 H LYS 3 HN LYS 3 -16.370 8.450 -3.334 13 HA LYS 3 HA LYS 3 -13.864 9.424 -2.882 14 HB2 LYS 3 HB2 LYS 3 -14.874 11.592 -2.502 15 HB3 LYS 3 HB1 LYS 3 -15.575 10.757 -3.881 16 HG2 LYS 3 HG2 LYS 3 -17.503 10.138 -2.482 17 HG3 LYS 3 HG1 LYS 3 -16.788 11.032 -1.141 18 HD2 LYS 3 HD2 LYS 3 -17.620 12.189 -3.804 19 HD3 LYS 3 HD1 LYS 3 -18.488 12.353 -2.278 20 HE2 LYS 3 HE2 LYS 3 -16.590 13.564 -1.318 21 HE3 LYS 3 HE1 LYS 3 -15.705 13.375 -2.828 22 HZ1 LYS 3 HZ1 LYS 3 -18.281 14.807 -2.589 23 HZ2 LYS 3 HZ2 LYS 3 -17.255 14.737 -3.953 24 HZ3 LYS 3 HZ3 LYS 3 -16.761 15.538 -2.559 25 H GLN 4 HN GLN 4 -12.854 10.622 -1.308 26 HA GLN 4 HA GLN 4 -13.156 9.509 1.356 27 HB2 GLN 4 HB2 GLN 4 -10.959 10.443 1.762 28 HB3 GLN 4 HB1 GLN 4 -10.948 9.767 0.128 29 HG2 GLN 4 HG2 GLN 4 -11.166 11.948 -0.817 30 HG3 GLN 4 HG1 GLN 4 -11.345 12.667 0.780 31 HE21 GLN 4 HE21 GLN 4 -9.642 13.942 0.665 32 HE22 GLN 4 HE22 GLN 4 -7.997 13.396 0.584 33 H THR 5 HN THR 5 -12.803 11.335 3.208 34 HA THR 5 HA THR 5 -14.913 13.225 2.690 35 HB THR 5 HB THR 5 -14.849 13.702 5.075 36 HG1 THR 5 HG1 THR 5 -13.334 13.031 6.361 37 HG21 THR 5 HG21 THR 5 -16.039 11.654 4.439 38 HG22 THR 5 HG22 THR 5 -15.267 11.458 6.013 39 HG23 THR 5 HG23 THR 5 -14.541 10.737 4.580 40 H HIS 6 HN HIS 6 -14.462 15.491 3.805 41 HA HIS 6 HA HIS 6 -12.394 16.688 2.242 42 HB2 HIS 6 HB2 HIS 6 -14.577 17.796 2.669 43 HB3 HIS 6 HB1 HIS 6 -14.186 17.886 4.378 44 HD1 HIS 6 HD1 HIS 6 -13.605 19.628 1.121 45 HD2 HIS 6 HD2 HIS 6 -12.236 19.831 5.041 46 HE1 HIS 6 HE1 HIS 6 -12.387 21.806 1.328 47 H GLU 7 HN GLU 7 -12.675 15.476 5.425 48 HA GLU 7 HA GLU 7 -10.484 16.965 6.585 49 HB2 GLU 7 HB2 GLU 7 -11.519 14.395 7.764 50 HB3 GLU 7 HB1 GLU 7 -10.828 15.768 8.600 51 HG2 GLU 7 HG2 GLU 7 -13.082 15.820 9.163 52 HG3 GLU 7 HG1 GLU 7 -12.959 17.011 7.863 53 H THR 8 HN THR 8 -10.456 14.839 4.324 54 HA THR 8 HA THR 8 -8.932 13.578 3.293 55 HB THR 8 HB THR 8 -6.955 14.115 5.547 56 HG1 THR 8 HG1 THR 8 -6.925 15.750 3.314 57 HG21 THR 8 HG21 THR 8 -6.289 12.517 3.778 58 HG22 THR 8 HG22 THR 8 -5.311 13.990 3.726 59 HG23 THR 8 HG23 THR 8 -6.624 13.753 2.565 60 H GLU 9 HN GLU 9 -10.658 12.696 5.632 61 HA GLU 9 HA GLU 9 -9.362 10.225 6.358 62 HB2 GLU 9 HB2 GLU 9 -12.090 11.374 6.908 63 HB3 GLU 9 HB1 GLU 9 -11.624 9.756 7.437 64 HG2 GLU 9 HG2 GLU 9 -10.285 12.333 8.245 65 HG3 GLU 9 HG1 GLU 9 -11.415 11.412 9.237 66 H LEU 10 HN LEU 10 -9.483 8.500 5.166 67 HA LEU 10 HA LEU 10 -11.081 8.822 2.766 68 HB2 LEU 10 HB2 LEU 10 -9.009 6.708 2.945 69 HB3 LEU 10 HB1 LEU 10 -9.609 7.642 1.601 70 HG LEU 10 HG LEU 10 -8.340 9.614 2.706 71 HD11 LEU 10 HD11 LEU 10 -6.296 8.852 3.870 72 HD12 LEU 10 HD12 LEU 10 -6.997 7.217 3.890 73 HD13 LEU 10 HD13 LEU 10 -7.793 8.518 4.759 74 HD21 LEU 10 HD21 LEU 10 -6.979 7.326 1.299 75 HD22 LEU 10 HD22 LEU 10 -6.328 8.955 1.449 76 HD23 LEU 10 HD23 LEU 10 -7.814 8.681 0.534 77 H THR 11 HN THR 11 -11.726 6.677 1.791 78 HA THR 11 HA THR 11 -12.900 5.036 3.870 79 HB THR 11 HB THR 11 -14.423 4.290 2.073 80 HG1 THR 11 HG1 THR 11 -14.037 5.690 0.019 81 HG21 THR 11 HG21 THR 11 -15.512 6.421 1.521 82 HG22 THR 11 HG22 THR 11 -14.042 7.273 2.004 83 HG23 THR 11 HG23 THR 11 -14.997 6.412 3.220 84 H PHE 12 HN PHE 12 -13.133 2.689 3.021 85 HA PHE 12 HA PHE 12 -10.567 1.616 2.929 86 HB2 PHE 12 HB2 PHE 12 -12.422 0.295 3.760 87 HB3 PHE 12 HB1 PHE 12 -13.237 0.378 2.204 88 HD1 PHE 12 HD1 PHE 12 -9.771 -0.520 3.253 89 HD2 PHE 12 HD2 PHE 12 -13.314 -1.695 1.222 90 HE1 PHE 12 HE1 PHE 12 -8.696 -2.620 2.610 91 HE2 PHE 12 HE2 PHE 12 -12.243 -3.811 0.571 92 HZ PHE 12 HZ PHE 12 -9.909 -4.276 1.281 93 H ASP 13 HN ASP 13 -12.903 2.270 0.552 94 HA ASP 13 HA ASP 13 -11.584 1.405 -1.752 95 HB2 ASP 13 HB2 ASP 13 -13.925 2.045 -1.572 96 HB3 ASP 13 HB1 ASP 13 -13.426 3.728 -1.538 97 H GLN 14 HN GLN 14 -11.422 4.362 -0.041 98 HA GLN 14 HA GLN 14 -10.014 5.602 -2.159 99 HB2 GLN 14 HB2 GLN 14 -10.598 6.508 0.585 100 HB3 GLN 14 HB1 GLN 14 -9.550 7.476 -0.477 101 HG2 GLN 14 HG2 GLN 14 -12.393 6.671 -0.932 102 HG3 GLN 14 HG1 GLN 14 -11.844 8.289 -0.528 103 HE21 GLN 14 HE21 GLN 14 -12.170 5.940 -2.857 104 HE22 GLN 14 HE22 GLN 14 -11.579 6.783 -4.248 105 H VAL 15 HN VAL 15 -9.284 4.018 0.743 106 HA VAL 15 HA VAL 15 -6.563 4.799 0.805 107 HB VAL 15 HB VAL 15 -8.051 2.617 2.288 108 HG11 VAL 15 HG11 VAL 15 -5.164 3.527 2.421 109 HG12 VAL 15 HG12 VAL 15 -5.678 1.989 1.792 110 HG13 VAL 15 HG13 VAL 15 -5.852 2.329 3.535 111 HG21 VAL 15 HG21 VAL 15 -6.760 5.204 3.156 112 HG22 VAL 15 HG22 VAL 15 -7.493 4.019 4.235 113 HG23 VAL 15 HG23 VAL 15 -8.490 4.852 3.041 114 H LYS 16 HN LYS 16 -8.400 1.966 -0.359 115 HA LYS 16 HA LYS 16 -6.356 0.596 -1.403 116 HB2 LYS 16 HB2 LYS 16 -9.193 1.046 -2.169 117 HB3 LYS 16 HB1 LYS 16 -8.180 0.090 -3.216 118 HG2 LYS 16 HG2 LYS 16 -7.732 -1.381 -1.194 119 HG3 LYS 16 HG1 LYS 16 -8.934 -0.432 -0.336 120 HD2 LYS 16 HD2 LYS 16 -9.421 -2.157 -2.792 121 HD3 LYS 16 HD1 LYS 16 -9.875 -2.539 -1.143 122 HE2 LYS 16 HE2 LYS 16 -11.876 -1.797 -2.070 123 HE3 LYS 16 HE1 LYS 16 -11.270 -0.385 -1.229 124 HZ1 LYS 16 HZ1 LYS 16 -11.188 -0.921 -4.158 125 HZ2 LYS 16 HZ2 LYS 16 -10.357 0.345 -3.498 126 HZ3 LYS 16 HZ3 LYS 16 -12.038 0.328 -3.435 127 H GLU 17 HN GLU 17 -8.192 3.278 -2.873 128 HA GLU 17 HA GLU 17 -6.634 3.263 -5.171 129 HB2 GLU 17 HB2 GLU 17 -8.245 5.532 -4.025 130 HB3 GLU 17 HB1 GLU 17 -7.475 5.573 -5.606 131 HG2 GLU 17 HG2 GLU 17 -8.804 3.466 -6.115 132 HG3 GLU 17 HG1 GLU 17 -9.756 3.850 -4.679 133 H GLN 18 HN GLN 18 -5.889 4.775 -2.009 134 HA GLN 18 HA GLN 18 -3.938 6.416 -3.115 135 HB2 GLN 18 HB2 GLN 18 -3.297 7.088 -0.887 136 HB3 GLN 18 HB1 GLN 18 -5.013 6.700 -0.845 137 HG2 GLN 18 HG2 GLN 18 -4.640 4.684 0.254 138 HG3 GLN 18 HG1 GLN 18 -2.907 4.805 0.011 139 HE21 GLN 18 HE21 GLN 18 -4.736 7.620 0.948 140 HE22 GLN 18 HE22 GLN 18 -4.099 7.711 2.547 141 H LEU 19 HN LEU 19 -3.822 3.433 -1.528 142 HA LEU 19 HA LEU 19 -1.083 2.959 -1.661 143 HB2 LEU 19 HB2 LEU 19 -3.535 1.415 -1.294 144 HB3 LEU 19 HB1 LEU 19 -2.028 0.577 -1.448 145 HG LEU 19 HG LEU 19 -2.767 2.640 0.674 146 HD11 LEU 19 HD11 LEU 19 -2.720 0.770 2.228 147 HD12 LEU 19 HD12 LEU 19 -2.465 -0.318 0.851 148 HD13 LEU 19 HD13 LEU 19 -3.956 0.623 0.977 149 HD21 LEU 19 HD21 LEU 19 -0.366 2.727 0.261 150 HD22 LEU 19 HD22 LEU 19 -0.262 0.976 0.412 151 HD23 LEU 19 HD23 LEU 19 -0.691 1.953 1.812 152 H THR 20 HN THR 20 -3.744 2.177 -3.810 153 HA THR 20 HA THR 20 -2.383 0.597 -5.609 154 HB THR 20 HB THR 20 -4.711 2.464 -5.830 155 HG1 THR 20 HG1 THR 20 -4.361 0.022 -5.035 156 HG21 THR 20 HG21 THR 20 -5.207 1.534 -8.078 157 HG22 THR 20 HG22 THR 20 -3.603 0.762 -8.103 158 HG23 THR 20 HG23 THR 20 -3.753 2.524 -8.034 159 H GLU 21 HN GLU 21 -2.788 4.133 -5.550 160 HA GLU 21 HA GLU 21 -1.457 4.566 -7.986 161 HB2 GLU 21 HB2 GLU 21 -3.034 6.094 -6.976 162 HB3 GLU 21 HB1 GLU 21 -1.916 6.416 -5.654 163 HG2 GLU 21 HG2 GLU 21 -0.326 7.377 -7.248 164 HG3 GLU 21 HG1 GLU 21 -1.447 7.057 -8.567 165 H SER 22 HN SER 22 -0.460 4.593 -4.661 166 HA SER 22 HA SER 22 2.168 5.541 -4.998 167 HB2 SER 22 HB2 SER 22 1.055 3.679 -2.887 168 HB3 SER 22 HB1 SER 22 2.602 4.527 -2.782 169 HG SER 22 HG SER 22 1.284 5.807 -1.743 170 H GLY 23 HN GLY 23 0.877 2.285 -4.837 171 HA2 GLY 23 HA2 GLY 23 3.301 0.856 -5.227 172 HA3 GLY 23 HA1 GLY 23 1.685 0.247 -5.553 173 H LYS 24 HN LYS 24 0.933 2.153 -7.477 174 HA LYS 24 HA LYS 24 1.978 1.022 -9.822 175 HB2 LYS 24 HB2 LYS 24 0.410 3.540 -9.388 176 HB3 LYS 24 HB1 LYS 24 0.732 2.808 -10.956 177 HG2 LYS 24 HG2 LYS 24 -0.521 1.229 -8.778 178 HG3 LYS 24 HG1 LYS 24 -1.551 2.321 -9.661 179 HD2 LYS 24 HD2 LYS 24 0.096 -0.004 -10.748 180 HD3 LYS 24 HD1 LYS 24 -1.650 -0.009 -10.490 181 HE2 LYS 24 HE2 LYS 24 -1.785 1.891 -12.114 182 HE3 LYS 24 HE1 LYS 24 -0.068 1.600 -12.440 183 HZ1 LYS 24 HZ1 LYS 24 -2.282 -0.318 -12.913 184 HZ2 LYS 24 HZ2 LYS 24 -0.650 -0.630 -13.230 185 HZ3 LYS 24 HZ3 LYS 24 -1.454 0.546 -14.072 186 H LYS 25 HN LYS 25 2.822 3.978 -8.091 187 HA LYS 25 HA LYS 25 4.524 5.013 -10.111 188 HB2 LYS 25 HB2 LYS 25 4.307 5.563 -7.153 189 HB3 LYS 25 HB1 LYS 25 5.330 6.473 -8.253 190 HG2 LYS 25 HG2 LYS 25 3.389 7.263 -9.462 191 HG3 LYS 25 HG1 LYS 25 2.343 6.227 -8.502 192 HD2 LYS 25 HD2 LYS 25 2.255 8.563 -7.743 193 HD3 LYS 25 HD1 LYS 25 2.867 7.481 -6.498 194 HE2 LYS 25 HE2 LYS 25 4.130 9.575 -6.570 195 HE3 LYS 25 HE1 LYS 25 5.152 8.205 -6.973 196 HZ1 LYS 25 HZ1 LYS 25 5.524 10.110 -8.399 197 HZ2 LYS 25 HZ2 LYS 25 3.938 10.072 -8.948 198 HZ3 LYS 25 HZ3 LYS 25 4.997 8.800 -9.303 199 H ARG 26 HN ARG 26 4.921 3.099 -7.299 200 HA ARG 26 HA ARG 26 7.817 3.170 -7.367 201 HB2 ARG 26 HB2 ARG 26 6.022 1.467 -5.671 202 HB3 ARG 26 HB1 ARG 26 7.740 1.729 -5.432 203 HG2 ARG 26 HG2 ARG 26 7.342 4.068 -4.955 204 HG3 ARG 26 HG1 ARG 26 5.616 3.846 -5.263 205 HD2 ARG 26 HD2 ARG 26 5.914 3.737 -2.896 206 HD3 ARG 26 HD1 ARG 26 5.629 2.096 -3.513 207 HE ARG 26 HE ARG 26 8.394 2.741 -3.322 208 HH11 ARG 26 HH11 ARG 26 5.636 1.680 -1.446 209 HH12 ARG 26 HH12 ARG 26 6.491 0.759 -0.320 210 HH21 ARG 26 HH21 ARG 26 9.634 1.590 -1.932 211 HH22 ARG 26 HH22 ARG 26 9.004 0.660 -0.634 212 H GLY 27 HN GLY 27 5.325 0.749 -7.884 213 HA2 GLY 27 HA2 GLY 27 5.408 -1.017 -9.341 214 HA3 GLY 27 HA1 GLY 27 7.181 -0.966 -9.325 215 H VAL 28 HN VAL 28 5.761 -0.465 -6.302 216 HA VAL 28 HA VAL 28 5.680 -3.175 -5.405 217 HB VAL 28 HB VAL 28 8.102 -2.603 -5.855 218 HG11 VAL 28 HG11 VAL 28 8.207 -0.386 -5.075 219 HG12 VAL 28 HG12 VAL 28 9.328 -1.385 -4.130 220 HG13 VAL 28 HG13 VAL 28 7.772 -0.894 -3.442 221 HG21 VAL 28 HG21 VAL 28 8.876 -3.706 -3.795 222 HG22 VAL 28 HG22 VAL 28 7.492 -4.478 -4.609 223 HG23 VAL 28 HG23 VAL 28 7.228 -3.479 -3.170 224 H LEU 29 HN LEU 29 5.156 -3.344 -3.285 225 HA LEU 29 HA LEU 29 4.918 -1.026 -1.597 226 HB2 LEU 29 HB2 LEU 29 2.615 -2.740 -2.467 227 HB3 LEU 29 HB1 LEU 29 2.592 -1.876 -0.953 228 HG LEU 29 HG LEU 29 2.779 -0.598 -3.682 229 HD11 LEU 29 HD11 LEU 29 0.453 0.035 -3.282 230 HD12 LEU 29 HD12 LEU 29 0.464 -0.873 -1.770 231 HD13 LEU 29 HD13 LEU 29 0.644 -1.717 -3.307 232 HD21 LEU 29 HD21 LEU 29 2.256 1.454 -2.463 233 HD22 LEU 29 HD22 LEU 29 3.783 0.752 -1.927 234 HD23 LEU 29 HD23 LEU 29 2.327 0.566 -0.940 235 H THR 30 HN THR 30 5.545 -1.719 0.422 236 HA THR 30 HA THR 30 5.866 -4.476 1.008 237 HB THR 30 HB THR 30 6.266 -3.721 3.355 238 HG1 THR 30 HG1 THR 30 5.755 -1.140 2.244 239 HG21 THR 30 HG21 THR 30 8.335 -2.422 2.869 240 HG22 THR 30 HG22 THR 30 7.845 -2.407 1.159 241 HG23 THR 30 HG23 THR 30 8.141 -3.937 2.009 242 H TYR 31 HN TYR 31 4.630 -5.769 2.420 243 HA TYR 31 HA TYR 31 1.841 -5.502 2.261 244 HB2 TYR 31 HB2 TYR 31 3.449 -7.203 4.157 245 HB3 TYR 31 HB1 TYR 31 1.697 -7.265 4.040 246 HD1 TYR 31 HD1 TYR 31 4.594 -8.791 3.053 247 HD2 TYR 31 HD2 TYR 31 0.867 -7.552 1.510 248 HE1 TYR 31 HE1 TYR 31 4.817 -10.428 1.241 249 HE2 TYR 31 HE2 TYR 31 1.050 -9.182 -0.295 250 HH TYR 31 HH TYR 31 3.430 -11.635 -0.276 251 H GLU 32 HN GLU 32 4.017 -4.546 4.856 252 HA GLU 32 HA GLU 32 1.749 -4.175 6.517 253 HB2 GLU 32 HB2 GLU 32 3.897 -5.010 7.456 254 HB3 GLU 32 HB1 GLU 32 4.587 -3.412 7.206 255 HG2 GLU 32 HG2 GLU 32 3.273 -2.438 8.847 256 HG3 GLU 32 HG1 GLU 32 2.084 -3.733 8.793 257 H GLU 33 HN GLU 33 3.423 -2.087 4.328 258 HA GLU 33 HA GLU 33 2.398 0.267 5.635 259 HB2 GLU 33 HB2 GLU 33 3.207 1.540 3.749 260 HB3 GLU 33 HB1 GLU 33 4.429 0.348 4.138 261 HG2 GLU 33 HG2 GLU 33 3.619 -1.051 2.279 262 HG3 GLU 33 HG1 GLU 33 2.448 0.209 1.886 263 H ILE 34 HN ILE 34 1.362 -2.068 3.372 264 HA ILE 34 HA ILE 34 -0.926 -0.712 2.445 265 HB ILE 34 HB ILE 34 -0.265 -3.667 2.545 266 HG12 ILE 34 HG12 ILE 34 -0.169 -1.718 0.242 267 HG13 ILE 34 HG11 ILE 34 1.234 -2.230 1.173 268 HG21 ILE 34 HG21 ILE 34 -2.657 -3.396 2.419 269 HG22 ILE 34 HG22 ILE 34 -2.061 -3.896 0.826 270 HG23 ILE 34 HG23 ILE 34 -2.492 -2.220 1.122 271 HD11 ILE 34 HD11 ILE 34 0.909 -4.512 0.428 272 HD12 ILE 34 HD12 ILE 34 1.035 -3.406 -0.943 273 HD13 ILE 34 HD13 ILE 34 -0.541 -4.026 -0.458 274 H ALA 35 HN ALA 35 -0.227 -2.951 5.140 275 HA ALA 35 HA ALA 35 -2.888 -3.345 5.933 276 HB1 ALA 35 HB1 ALA 35 -0.311 -3.789 7.426 277 HB2 ALA 35 HB2 ALA 35 -1.110 -4.961 6.380 278 HB3 ALA 35 HB3 ALA 35 -1.888 -4.436 7.876 279 H GLU 36 HN GLU 36 -0.392 -1.068 6.547 280 HA GLU 36 HA GLU 36 -0.900 -0.009 9.019 281 HB2 GLU 36 HB2 GLU 36 1.053 0.349 7.602 282 HB3 GLU 36 HB1 GLU 36 0.073 1.251 6.477 283 HG2 GLU 36 HG2 GLU 36 -0.324 2.935 8.238 284 HG3 GLU 36 HG1 GLU 36 0.799 2.047 9.276 285 H ARG 37 HN ARG 37 -1.965 1.147 5.808 286 HA ARG 37 HA ARG 37 -3.535 3.223 6.835 287 HB2 ARG 37 HB2 ARG 37 -3.610 1.942 4.114 288 HB3 ARG 37 HB1 ARG 37 -4.100 3.577 4.541 289 HG2 ARG 37 HG2 ARG 37 -1.286 2.516 4.696 290 HG3 ARG 37 HG1 ARG 37 -1.931 3.491 3.380 291 HD2 ARG 37 HD2 ARG 37 -2.260 5.362 4.861 292 HD3 ARG 37 HD1 ARG 37 -1.821 4.382 6.260 293 HE ARG 37 HE ARG 37 0.403 4.416 5.619 294 HH11 ARG 37 HH11 ARG 37 -1.550 6.225 3.273 295 HH12 ARG 37 HH12 ARG 37 -0.262 7.190 2.733 296 HH21 ARG 37 HH21 ARG 37 2.188 5.725 4.829 297 HH22 ARG 37 HH22 ARG 37 1.904 6.897 3.621 298 H MET 38 HN MET 38 -4.096 -0.127 6.135 299 HA MET 38 HA MET 38 -6.965 0.149 5.961 300 HB2 MET 38 HB2 MET 38 -5.324 -2.384 6.180 301 HB3 MET 38 HB1 MET 38 -7.025 -2.279 5.805 302 HG2 MET 38 HG2 MET 38 -4.803 -1.178 4.137 303 HG3 MET 38 HG1 MET 38 -5.699 -2.667 3.817 304 HE1 MET 38 HE1 MET 38 -5.319 -0.598 1.626 305 HE2 MET 38 HE2 MET 38 -6.934 -0.335 0.972 306 HE3 MET 38 HE3 MET 38 -6.403 -1.969 1.373 307 H SER 39 HN SER 39 -4.847 0.235 8.430 308 HA SER 39 HA SER 39 -6.154 -1.358 10.393 309 HB2 SER 39 HB2 SER 39 -3.727 -0.600 10.330 310 HB3 SER 39 HB1 SER 39 -4.304 0.990 10.802 311 HG SER 39 HG SER 39 -3.644 -0.966 12.319 312 H SER 40 HN SER 40 -6.836 1.629 8.916 313 HA SER 40 HA SER 40 -8.309 2.833 11.024 314 HB2 SER 40 HB2 SER 40 -8.518 3.210 8.041 315 HB3 SER 40 HB1 SER 40 -9.083 4.342 9.276 316 HG SER 40 HG SER 40 -6.560 3.813 9.806 317 H PHE 41 HN PHE 41 -8.820 0.364 8.746 318 HA PHE 41 HA PHE 41 -11.722 0.212 9.267 319 HB2 PHE 41 HB2 PHE 41 -10.125 -1.107 7.092 320 HB3 PHE 41 HB1 PHE 41 -11.864 -0.917 7.090 321 HD1 PHE 41 HD1 PHE 41 -8.964 0.159 5.709 322 HD2 PHE 41 HD2 PHE 41 -12.499 1.754 7.431 323 HE1 PHE 41 HE1 PHE 41 -8.533 2.282 4.594 324 HE2 PHE 41 HE2 PHE 41 -12.086 3.897 6.302 325 HZ PHE 41 HZ PHE 41 -10.086 4.159 4.894 326 H GLU 42 HN GLU 42 -12.221 -2.352 8.793 327 HA GLU 42 HA GLU 42 -10.311 -3.845 10.416 328 HB2 GLU 42 HB2 GLU 42 -13.290 -4.253 10.142 329 HB3 GLU 42 HB1 GLU 42 -12.222 -5.331 11.016 330 HG2 GLU 42 HG2 GLU 42 -11.649 -3.478 12.531 331 HG3 GLU 42 HG1 GLU 42 -12.821 -2.467 11.680 332 H ILE 43 HN ILE 43 -9.083 -4.479 8.654 333 HA ILE 43 HA ILE 43 -10.479 -6.040 6.607 334 HB ILE 43 HB ILE 43 -7.828 -4.687 6.407 335 HG12 ILE 43 HG12 ILE 43 -9.549 -3.022 6.745 336 HG13 ILE 43 HG11 ILE 43 -8.894 -2.946 5.115 337 HG21 ILE 43 HG21 ILE 43 -8.149 -6.541 4.858 338 HG22 ILE 43 HG22 ILE 43 -8.090 -5.000 3.998 339 HG23 ILE 43 HG23 ILE 43 -9.640 -5.793 4.276 340 HD11 ILE 43 HD11 ILE 43 -11.286 -2.635 5.083 341 HD12 ILE 43 HD12 ILE 43 -11.515 -4.174 5.935 342 HD13 ILE 43 HD13 ILE 43 -10.837 -4.154 4.297 343 H GLU 44 HN GLU 44 -10.168 -8.031 6.892 344 HA GLU 44 HA GLU 44 -8.002 -9.282 8.335 345 HB2 GLU 44 HB2 GLU 44 -10.190 -10.398 6.602 346 HB3 GLU 44 HB1 GLU 44 -9.091 -11.353 7.586 347 HG2 GLU 44 HG2 GLU 44 -10.909 -9.246 8.659 348 HG3 GLU 44 HG1 GLU 44 -11.346 -10.944 8.567 349 H SER 45 HN SER 45 -6.728 -10.997 7.414 350 HA SER 45 HA SER 45 -5.103 -10.218 5.348 351 HB2 SER 45 HB2 SER 45 -4.402 -12.689 5.592 352 HB3 SER 45 HB1 SER 45 -4.307 -11.621 7.008 353 HG SER 45 HG SER 45 -5.559 -13.860 6.916 354 H ASP 46 HN ASP 46 -7.899 -12.360 5.400 355 HA ASP 46 HA ASP 46 -7.868 -13.439 2.835 356 HB2 ASP 46 HB2 ASP 46 -10.225 -12.550 4.492 357 HB3 ASP 46 HB1 ASP 46 -10.346 -13.531 3.044 358 H GLN 47 HN GLN 47 -9.205 -10.411 3.977 359 HA GLN 47 HA GLN 47 -10.310 -9.605 1.456 360 HB2 GLN 47 HB2 GLN 47 -9.607 -7.822 3.758 361 HB3 GLN 47 HB1 GLN 47 -10.860 -7.584 2.550 362 HG2 GLN 47 HG2 GLN 47 -12.106 -9.471 3.491 363 HG3 GLN 47 HG1 GLN 47 -10.845 -9.687 4.699 364 HE21 GLN 47 HE21 GLN 47 -12.052 -6.614 3.528 365 HE22 GLN 47 HE22 GLN 47 -12.758 -6.137 5.019 366 H MET 48 HN MET 48 -7.437 -8.918 3.359 367 HA MET 48 HA MET 48 -6.281 -7.014 1.756 368 HB2 MET 48 HB2 MET 48 -5.081 -9.054 3.596 369 HB3 MET 48 HB1 MET 48 -4.043 -7.993 2.667 370 HG2 MET 48 HG2 MET 48 -6.197 -6.864 4.408 371 HG3 MET 48 HG1 MET 48 -4.672 -7.387 5.110 372 HE1 MET 48 HE1 MET 48 -6.439 -4.881 2.619 373 HE2 MET 48 HE2 MET 48 -5.170 -5.465 1.516 374 HE3 MET 48 HE3 MET 48 -5.110 -3.832 2.139 375 H ASP 49 HN ASP 49 -6.042 -10.536 1.594 376 HA ASP 49 HA ASP 49 -4.228 -10.982 -0.481 377 HB2 ASP 49 HB2 ASP 49 -5.303 -12.737 0.902 378 HB3 ASP 49 HB1 ASP 49 -6.821 -12.437 0.079 379 H GLU 50 HN GLU 50 -7.685 -10.392 -0.680 380 HA GLU 50 HA GLU 50 -7.964 -10.533 -3.433 381 HB2 GLU 50 HB2 GLU 50 -9.477 -8.945 -1.368 382 HB3 GLU 50 HB1 GLU 50 -9.962 -9.001 -3.057 383 HG2 GLU 50 HG2 GLU 50 -9.688 -11.422 -1.293 384 HG3 GLU 50 HG1 GLU 50 -11.199 -10.556 -1.557 385 H TYR 51 HN TYR 51 -7.139 -7.810 -1.335 386 HA TYR 51 HA TYR 51 -6.926 -5.942 -3.460 387 HB2 TYR 51 HB2 TYR 51 -7.319 -5.243 -1.130 388 HB3 TYR 51 HB1 TYR 51 -5.706 -5.795 -0.701 389 HD1 TYR 51 HD1 TYR 51 -6.921 -3.823 -3.659 390 HD2 TYR 51 HD2 TYR 51 -4.444 -3.932 -0.187 391 HE1 TYR 51 HE1 TYR 51 -5.999 -1.649 -4.246 392 HE2 TYR 51 HE2 TYR 51 -3.508 -1.742 -0.806 393 HH TYR 51 HH TYR 51 -4.858 0.256 -3.113 394 H TYR 52 HN TYR 52 -4.623 -8.115 -1.917 395 HA TYR 52 HA TYR 52 -2.313 -7.022 -3.082 396 HB2 TYR 52 HB2 TYR 52 -2.804 -9.861 -2.149 397 HB3 TYR 52 HB1 TYR 52 -1.229 -9.235 -2.614 398 HD1 TYR 52 HD1 TYR 52 -2.367 -10.394 0.118 399 HD2 TYR 52 HD2 TYR 52 -1.519 -6.477 -1.317 400 HE1 TYR 52 HE1 TYR 52 -2.061 -9.605 2.425 401 HE2 TYR 52 HE2 TYR 52 -1.206 -5.701 0.957 402 HH TYR 52 HH TYR 52 -1.935 -6.338 3.248 403 H GLU 53 HN GLU 53 -4.493 -9.566 -4.094 404 HA GLU 53 HA GLU 53 -3.292 -10.342 -6.465 405 HB2 GLU 53 HB2 GLU 53 -5.280 -11.312 -5.201 406 HB3 GLU 53 HB1 GLU 53 -6.253 -10.085 -5.992 407 HG2 GLU 53 HG2 GLU 53 -6.462 -12.104 -7.223 408 HG3 GLU 53 HG1 GLU 53 -5.476 -10.990 -8.177 409 H PHE 54 HN PHE 54 -5.702 -7.880 -5.764 410 HA PHE 54 HA PHE 54 -6.137 -6.845 -8.290 411 HB2 PHE 54 HB2 PHE 54 -7.593 -6.165 -6.549 412 HB3 PHE 54 HB1 PHE 54 -6.263 -5.625 -5.541 413 HD1 PHE 54 HD1 PHE 54 -8.398 -4.784 -8.403 414 HD2 PHE 54 HD2 PHE 54 -5.303 -3.520 -5.818 415 HE1 PHE 54 HE1 PHE 54 -8.678 -2.461 -9.203 416 HE2 PHE 54 HE2 PHE 54 -5.560 -1.215 -6.596 417 HZ PHE 54 HZ PHE 54 -7.217 -0.676 -8.266 418 H LEU 55 HN LEU 55 -3.854 -5.711 -5.839 419 HA LEU 55 HA LEU 55 -2.649 -3.712 -7.316 420 HB2 LEU 55 HB2 LEU 55 -1.610 -5.405 -5.075 421 HB3 LEU 55 HB1 LEU 55 -0.676 -4.094 -5.752 422 HG LEU 55 HG LEU 55 -3.395 -3.763 -4.500 423 HD11 LEU 55 HD11 LEU 55 -2.157 -2.784 -2.639 424 HD12 LEU 55 HD12 LEU 55 -0.639 -3.217 -3.423 425 HD13 LEU 55 HD13 LEU 55 -1.734 -4.480 -2.866 426 HD21 LEU 55 HD21 LEU 55 -2.802 -1.389 -4.540 427 HD22 LEU 55 HD22 LEU 55 -2.862 -2.052 -6.166 428 HD23 LEU 55 HD23 LEU 55 -1.306 -1.772 -5.385 429 H GLY 56 HN GLY 56 -1.736 -7.101 -6.947 430 HA2 GLY 56 HA2 GLY 56 0.596 -7.115 -8.464 431 HA3 GLY 56 HA1 GLY 56 -0.469 -8.499 -8.233 432 H GLU 57 HN GLU 57 -2.768 -7.588 -9.472 433 HA GLU 57 HA GLU 57 -2.157 -8.030 -12.127 434 HB2 GLU 57 HB2 GLU 57 -4.641 -7.163 -10.750 435 HB3 GLU 57 HB1 GLU 57 -4.561 -7.449 -12.488 436 HG2 GLU 57 HG2 GLU 57 -4.125 -9.417 -10.261 437 HG3 GLU 57 HG1 GLU 57 -5.399 -9.427 -11.481 438 H GLN 58 HN GLN 58 -2.602 -5.039 -10.396 439 HA GLN 58 HA GLN 58 -2.878 -3.460 -12.773 440 HB2 GLN 58 HB2 GLN 58 -2.063 -2.482 -10.027 441 HB3 GLN 58 HB1 GLN 58 -2.786 -1.541 -11.323 442 HG2 GLN 58 HG2 GLN 58 -4.115 -3.715 -9.720 443 HG3 GLN 58 HG1 GLN 58 -4.417 -1.988 -9.610 444 HE21 GLN 58 HE21 GLN 58 -6.111 -4.333 -10.271 445 HE22 GLN 58 HE22 GLN 58 -6.898 -3.922 -11.745 446 H GLY 59 HN GLY 59 -0.280 -4.023 -10.464 447 HA2 GLY 59 HA2 GLY 59 1.801 -4.600 -11.979 448 HA3 GLY 59 HA1 GLY 59 1.640 -2.895 -12.375 449 H VAL 60 HN VAL 60 1.252 -4.624 -9.289 450 HA VAL 60 HA VAL 60 3.478 -3.048 -8.170 451 HB VAL 60 HB VAL 60 0.921 -3.702 -6.721 452 HG11 VAL 60 HG11 VAL 60 3.169 -1.840 -6.057 453 HG12 VAL 60 HG12 VAL 60 2.853 -3.412 -5.343 454 HG13 VAL 60 HG13 VAL 60 1.718 -2.081 -5.083 455 HG21 VAL 60 HG21 VAL 60 0.232 -1.334 -6.947 456 HG22 VAL 60 HG22 VAL 60 0.340 -2.116 -8.525 457 HG23 VAL 60 HG23 VAL 60 1.625 -1.043 -7.983 458 H GLU 61 HN GLU 61 4.911 -4.408 -7.332 459 HA GLU 61 HA GLU 61 4.088 -7.100 -6.643 460 HB2 GLU 61 HB2 GLU 61 6.752 -5.715 -6.692 461 HB3 GLU 61 HB1 GLU 61 6.549 -7.374 -6.154 462 HG2 GLU 61 HG2 GLU 61 5.581 -7.882 -8.364 463 HG3 GLU 61 HG1 GLU 61 5.999 -6.255 -8.894 464 H LEU 62 HN LEU 62 3.738 -7.735 -4.555 465 HA LEU 62 HA LEU 62 4.148 -5.663 -2.589 466 HB2 LEU 62 HB2 LEU 62 2.693 -8.278 -2.264 467 HB3 LEU 62 HB1 LEU 62 2.703 -6.937 -1.147 468 HG LEU 62 HG LEU 62 0.695 -6.672 -2.050 469 HD11 LEU 62 HD11 LEU 62 0.580 -4.899 -3.663 470 HD12 LEU 62 HD12 LEU 62 2.301 -5.111 -3.987 471 HD13 LEU 62 HD13 LEU 62 1.763 -4.622 -2.381 472 HD21 LEU 62 HD21 LEU 62 0.645 -8.511 -3.510 473 HD22 LEU 62 HD22 LEU 62 1.653 -7.685 -4.713 474 HD23 LEU 62 HD23 LEU 62 0.014 -7.110 -4.359 475 H ILE 63 HN ILE 63 6.061 -5.676 -1.685 476 HA ILE 63 HA ILE 63 7.386 -8.206 -1.099 477 HB ILE 63 HB ILE 63 9.264 -6.760 -0.204 478 HG12 ILE 63 HG12 ILE 63 7.631 -4.548 -1.431 479 HG13 ILE 63 HG11 ILE 63 7.948 -4.764 0.282 480 HG21 ILE 63 HG21 ILE 63 10.148 -6.179 -2.296 481 HG22 ILE 63 HG22 ILE 63 8.530 -6.103 -2.997 482 HG23 ILE 63 HG23 ILE 63 9.219 -7.682 -2.516 483 HD11 ILE 63 HD11 ILE 63 10.332 -4.387 -0.121 484 HD12 ILE 63 HD12 ILE 63 9.361 -3.025 -0.689 485 HD13 ILE 63 HD13 ILE 63 10.008 -4.195 -1.839 486 H SER 64 HN SER 64 8.528 -8.140 1.198 487 HA SER 64 HA SER 64 6.321 -8.153 2.989 488 HB2 SER 64 HB2 SER 64 8.251 -9.798 2.907 489 HB3 SER 64 HB1 SER 64 9.215 -8.575 3.701 490 HG SER 64 HG SER 64 7.378 -10.240 4.701 491 H GLU 65 HN GLU 65 9.365 -6.845 3.796 492 HA GLU 65 HA GLU 65 9.139 -4.151 3.866 493 HB2 GLU 65 HB2 GLU 65 7.199 -4.362 5.459 494 HB3 GLU 65 HB1 GLU 65 8.250 -5.193 6.603 495 HG2 GLU 65 HG2 GLU 65 9.721 -3.138 6.547 496 HG3 GLU 65 HG1 GLU 65 8.425 -2.343 5.664 497 H ASN 66 HN ASN 66 10.046 -7.011 5.550 498 HA ASN 66 HA ASN 66 12.509 -6.149 6.654 499 HB2 ASN 66 HB2 ASN 66 11.349 -8.219 7.349 500 HB3 ASN 66 HB1 ASN 66 11.617 -8.909 5.753 501 HD21 ASN 66 HD21 ASN 66 13.053 -8.092 8.806 502 HD22 ASN 66 HD22 ASN 66 14.514 -8.972 8.589 503 H GLU 67 HN GLU 67 11.605 -6.217 3.555 504 HA GLU 67 HA GLU 67 14.305 -6.237 2.537 505 HB2 GLU 67 HB2 GLU 67 13.538 -7.464 0.560 506 HB3 GLU 67 HB1 GLU 67 13.268 -8.441 2.026 507 HG2 GLU 67 HG2 GLU 67 10.919 -7.437 1.910 508 HG3 GLU 67 HG1 GLU 67 11.411 -6.944 0.289 509 H GLU 68 HN GLU 68 14.431 -4.785 0.966 510 HA GLU 68 HA GLU 68 12.658 -3.665 -0.733 511 HB2 GLU 68 HB2 GLU 68 11.362 -2.836 1.173 512 HB3 GLU 68 HB1 GLU 68 12.780 -1.946 1.741 513 HG2 GLU 68 HG2 GLU 68 12.668 -0.511 -0.212 514 HG3 GLU 68 HG1 GLU 68 11.307 -1.440 -0.838 515 H THR 69 HN THR 69 13.973 -2.771 -2.068 516 HA THR 69 HA THR 69 15.580 -0.569 -1.530 517 HB THR 69 HB THR 69 17.132 -2.126 -0.392 518 HG1 THR 69 HG1 THR 69 18.531 -0.782 -0.977 519 HG21 THR 69 HG21 THR 69 16.752 -4.137 -1.707 520 HG22 THR 69 HG22 THR 69 18.469 -3.738 -1.682 521 HG23 THR 69 HG23 THR 69 17.502 -3.379 -3.113 522 H GLU 70 HN GLU 70 14.314 -2.634 -3.671 523 HA GLU 70 HA GLU 70 15.562 -1.910 -6.106 524 HB2 GLU 70 HB2 GLU 70 13.367 -2.605 -7.112 525 HB3 GLU 70 HB1 GLU 70 14.097 -3.806 -6.058 526 HG2 GLU 70 HG2 GLU 70 12.293 -1.943 -4.748 527 HG3 GLU 70 HG1 GLU 70 11.472 -3.059 -5.881 528 H ASP 71 HN ASP 71 13.362 -0.349 -4.045 529 HA ASP 71 HA ASP 71 12.776 1.717 -6.042 530 HB2 ASP 71 HB2 ASP 71 10.798 0.507 -5.348 531 HB3 ASP 71 HB1 ASP 71 11.194 0.757 -3.658 532 H LEU 72 HN LEU 72 14.770 1.180 -3.631 533 HA LEU 72 HA LEU 72 14.284 3.658 -2.217 534 HB2 LEU 72 HB2 LEU 72 16.306 1.521 -1.599 535 HB3 LEU 72 HB1 LEU 72 16.204 3.035 -0.729 536 HG LEU 72 HG LEU 72 14.119 0.860 -0.821 537 HD11 LEU 72 HD11 LEU 72 15.804 1.936 1.434 538 HD12 LEU 72 HD12 LEU 72 16.017 0.384 0.622 539 HD13 LEU 72 HD13 LEU 72 14.563 0.690 1.574 540 HD21 LEU 72 HD21 LEU 72 14.009 3.581 0.494 541 HD22 LEU 72 HD22 LEU 72 12.884 2.263 0.812 542 HD23 LEU 72 HD23 LEU 72 12.956 2.981 -0.795 543 H GLU 73 HN GLU 73 14.613 4.710 -4.182 544 HA GLU 73 HA GLU 73 17.341 5.802 -4.176 545 HB2 GLU 73 HB2 GLU 73 15.476 5.591 -6.548 546 HB3 GLU 73 HB1 GLU 73 17.046 6.375 -6.550 547 HG2 GLU 73 HG2 GLU 73 18.042 4.149 -5.980 548 HG3 GLU 73 HG1 GLU 73 16.447 3.449 -6.267 549 H HIS 74 HN HIS 74 14.439 6.182 -3.119 550 HA HIS 74 HA HIS 74 14.238 9.040 -3.696 551 HB2 HIS 74 HB2 HIS 74 12.035 7.002 -3.287 552 HB3 HIS 74 HB1 HIS 74 11.764 8.729 -3.198 553 HD1 HIS 74 HD1 HIS 74 10.485 9.314 -5.254 554 HD2 HIS 74 HD2 HIS 74 13.520 6.592 -6.039 555 HE1 HIS 74 HE1 HIS 74 10.455 8.924 -7.751 556 H HIS 75 HN HIS 75 14.204 10.268 -1.928 557 HA HIS 75 HA HIS 75 14.292 9.094 0.714 558 HB2 HIS 75 HB2 HIS 75 15.530 11.211 0.075 559 HB3 HIS 75 HB1 HIS 75 13.978 12.007 -0.125 560 HD1 HIS 75 HD1 HIS 75 13.427 13.439 1.880 561 HD2 HIS 75 HD2 HIS 75 15.702 10.100 2.885 562 HE1 HIS 75 HE1 HIS 75 13.870 13.611 4.339 563 H HIS 76 HN HIS 76 12.250 11.114 -1.257 564 HA HIS 76 HA HIS 76 9.895 9.889 -1.123 565 HB2 HIS 76 HB2 HIS 76 9.937 10.571 1.395 566 HB3 HIS 76 HB1 HIS 76 9.837 12.234 0.824 567 HD1 HIS 76 HD1 HIS 76 7.474 13.098 0.815 568 HD2 HIS 76 HD2 HIS 76 7.666 8.995 0.188 569 HE1 HIS 76 HE1 HIS 76 5.099 12.305 0.639 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -4.392 9.753 -5.787 2 H2 ALA 1 HT2 ALA 1 -4.305 9.430 -4.156 3 H3 ALA 1 HT3 ALA 1 -5.480 10.532 -4.784 4 HA ALA 1 HA ALA 1 -5.304 7.689 -5.520 5 HB1 ALA 1 HB1 ALA 1 -6.118 7.887 -3.216 6 HB2 ALA 1 HB2 ALA 1 -7.442 7.421 -4.288 7 HB3 ALA 1 HB3 ALA 1 -7.304 9.085 -3.725 8 H ASP 2 HN ASP 2 -7.896 7.349 -6.363 9 HA ASP 2 HA ASP 2 -7.768 9.014 -8.727 10 HB2 ASP 2 HB2 ASP 2 -7.980 6.632 -9.099 11 HB3 ASP 2 HB1 ASP 2 -9.404 6.555 -8.071 12 H LYS 3 HN LYS 3 -10.107 8.126 -6.265 13 HA LYS 3 HA LYS 3 -11.788 10.356 -7.170 14 HB2 LYS 3 HB2 LYS 3 -12.438 8.053 -5.332 15 HB3 LYS 3 HB1 LYS 3 -13.579 9.260 -5.930 16 HG2 LYS 3 HG2 LYS 3 -13.316 8.517 -8.172 17 HG3 LYS 3 HG1 LYS 3 -11.980 7.465 -7.721 18 HD2 LYS 3 HD2 LYS 3 -13.574 6.210 -6.274 19 HD3 LYS 3 HD1 LYS 3 -14.877 7.170 -6.978 20 HE2 LYS 3 HE2 LYS 3 -14.565 4.977 -8.110 21 HE3 LYS 3 HE1 LYS 3 -14.361 6.365 -9.182 22 HZ1 LYS 3 HZ1 LYS 3 -12.616 4.559 -9.400 23 HZ2 LYS 3 HZ2 LYS 3 -12.039 5.063 -7.868 24 HZ3 LYS 3 HZ3 LYS 3 -12.033 6.112 -9.156 25 H GLN 4 HN GLN 4 -9.960 9.215 -4.445 26 HA GLN 4 HA GLN 4 -10.899 11.465 -2.779 27 HB2 GLN 4 HB2 GLN 4 -10.840 9.107 -1.860 28 HB3 GLN 4 HB1 GLN 4 -9.082 9.191 -1.937 29 HG2 GLN 4 HG2 GLN 4 -9.654 9.715 0.272 30 HG3 GLN 4 HG1 GLN 4 -9.329 11.272 -0.488 31 HE21 GLN 4 HE21 GLN 4 -11.067 12.700 -0.853 32 HE22 GLN 4 HE22 GLN 4 -12.590 12.423 -0.118 33 H THR 5 HN THR 5 -9.387 13.111 -2.136 34 HA THR 5 HA THR 5 -6.948 13.283 -3.501 35 HB THR 5 HB THR 5 -6.552 15.090 -1.633 36 HG1 THR 5 HG1 THR 5 -8.051 14.680 -0.129 37 HG21 THR 5 HG21 THR 5 -8.003 16.680 -2.834 38 HG22 THR 5 HG22 THR 5 -8.840 15.323 -3.595 39 HG23 THR 5 HG23 THR 5 -7.140 15.620 -3.947 40 H HIS 6 HN HIS 6 -4.844 12.889 -2.758 41 HA HIS 6 HA HIS 6 -4.704 10.737 -0.883 42 HB2 HIS 6 HB2 HIS 6 -3.232 11.216 -3.037 43 HB3 HIS 6 HB1 HIS 6 -2.258 12.149 -1.908 44 HD1 HIS 6 HD1 HIS 6 -1.829 9.130 -3.453 45 HD2 HIS 6 HD2 HIS 6 -2.160 10.086 0.598 46 HE1 HIS 6 HE1 HIS 6 -0.774 7.249 -2.189 47 H GLU 7 HN GLU 7 -4.388 10.876 1.188 48 HA GLU 7 HA GLU 7 -4.014 11.540 3.243 49 HB2 GLU 7 HB2 GLU 7 -2.414 13.858 2.110 50 HB3 GLU 7 HB1 GLU 7 -2.461 13.395 3.806 51 HG2 GLU 7 HG2 GLU 7 -1.496 11.206 3.210 52 HG3 GLU 7 HG1 GLU 7 -1.422 11.731 1.534 53 H THR 8 HN THR 8 -6.145 11.719 3.375 54 HA THR 8 HA THR 8 -7.280 14.129 4.274 55 HB THR 8 HB THR 8 -8.402 12.713 1.778 56 HG1 THR 8 HG1 THR 8 -6.585 14.673 1.968 57 HG21 THR 8 HG21 THR 8 -10.122 13.718 3.213 58 HG22 THR 8 HG22 THR 8 -10.004 14.558 1.663 59 HG23 THR 8 HG23 THR 8 -9.289 15.275 3.113 60 H GLU 9 HN GLU 9 -9.647 13.154 5.016 61 HA GLU 9 HA GLU 9 -9.215 10.470 5.950 62 HB2 GLU 9 HB2 GLU 9 -11.528 10.583 6.821 63 HB3 GLU 9 HB1 GLU 9 -10.600 11.985 7.307 64 HG2 GLU 9 HG2 GLU 9 -11.702 13.331 5.609 65 HG3 GLU 9 HG1 GLU 9 -12.580 11.914 5.044 66 H LEU 10 HN LEU 10 -9.906 8.549 5.007 67 HA LEU 10 HA LEU 10 -11.496 8.868 2.577 68 HB2 LEU 10 HB2 LEU 10 -9.494 6.753 2.334 69 HB3 LEU 10 HB1 LEU 10 -10.055 7.962 1.224 70 HG LEU 10 HG LEU 10 -8.472 9.594 2.303 71 HD11 LEU 10 HD11 LEU 10 -6.565 8.624 3.515 72 HD12 LEU 10 HD12 LEU 10 -7.384 7.058 3.541 73 HD13 LEU 10 HD13 LEU 10 -8.070 8.427 4.412 74 HD21 LEU 10 HD21 LEU 10 -7.343 7.128 1.056 75 HD22 LEU 10 HD22 LEU 10 -6.609 8.743 1.030 76 HD23 LEU 10 HD23 LEU 10 -8.143 8.427 0.188 77 H THR 11 HN THR 11 -12.155 6.654 1.741 78 HA THR 11 HA THR 11 -13.111 4.987 3.980 79 HB THR 11 HB THR 11 -14.871 4.258 2.519 80 HG1 THR 11 HG1 THR 11 -14.733 5.058 0.223 81 HG21 THR 11 HG21 THR 11 -15.178 6.606 3.264 82 HG22 THR 11 HG22 THR 11 -15.895 6.314 1.675 83 HG23 THR 11 HG23 THR 11 -14.337 7.133 1.800 84 H PHE 12 HN PHE 12 -13.419 2.587 3.050 85 HA PHE 12 HA PHE 12 -10.832 1.564 2.862 86 HB2 PHE 12 HB2 PHE 12 -12.600 0.214 3.789 87 HB3 PHE 12 HB1 PHE 12 -13.522 0.298 2.296 88 HD1 PHE 12 HD1 PHE 12 -10.103 -0.722 3.384 89 HD2 PHE 12 HD2 PHE 12 -13.514 -1.589 1.011 90 HE1 PHE 12 HE1 PHE 12 -9.031 -2.791 2.606 91 HE2 PHE 12 HE2 PHE 12 -12.449 -3.660 0.233 92 HZ PHE 12 HZ PHE 12 -10.185 -4.254 1.036 93 H ASP 13 HN ASP 13 -13.272 2.085 0.556 94 HA ASP 13 HA ASP 13 -11.847 1.185 -1.704 95 HB2 ASP 13 HB2 ASP 13 -14.230 2.986 -1.526 96 HB3 ASP 13 HB1 ASP 13 -13.469 2.597 -3.068 97 H GLN 14 HN GLN 14 -11.820 4.137 -0.143 98 HA GLN 14 HA GLN 14 -10.533 5.548 -2.327 99 HB2 GLN 14 HB2 GLN 14 -10.861 6.360 0.530 100 HB3 GLN 14 HB1 GLN 14 -10.379 7.440 -0.784 101 HG2 GLN 14 HG2 GLN 14 -13.035 6.032 -0.488 102 HG3 GLN 14 HG1 GLN 14 -12.700 7.724 -0.126 103 HE21 GLN 14 HE21 GLN 14 -12.768 9.155 -1.705 104 HE22 GLN 14 HE22 GLN 14 -13.142 8.803 -3.350 105 H VAL 15 HN VAL 15 -9.647 3.921 0.616 106 HA VAL 15 HA VAL 15 -6.942 4.822 0.625 107 HB VAL 15 HB VAL 15 -8.359 2.690 2.259 108 HG11 VAL 15 HG11 VAL 15 -6.208 2.439 3.508 109 HG12 VAL 15 HG12 VAL 15 -5.449 3.519 2.311 110 HG13 VAL 15 HG13 VAL 15 -6.035 1.946 1.816 111 HG21 VAL 15 HG21 VAL 15 -8.731 5.004 2.890 112 HG22 VAL 15 HG22 VAL 15 -6.972 5.244 2.968 113 HG23 VAL 15 HG23 VAL 15 -7.758 4.168 4.110 114 H LYS 16 HN LYS 16 -8.698 1.933 -0.516 115 HA LYS 16 HA LYS 16 -6.587 0.526 -1.363 116 HB2 LYS 16 HB2 LYS 16 -9.382 0.946 -2.247 117 HB3 LYS 16 HB1 LYS 16 -8.345 0.082 -3.344 118 HG2 LYS 16 HG2 LYS 16 -7.857 -1.496 -1.378 119 HG3 LYS 16 HG1 LYS 16 -9.148 -0.660 -0.520 120 HD2 LYS 16 HD2 LYS 16 -9.491 -2.116 -3.158 121 HD3 LYS 16 HD1 LYS 16 -9.885 -2.792 -1.581 122 HE2 LYS 16 HE2 LYS 16 -11.537 -1.021 -1.234 123 HE3 LYS 16 HE1 LYS 16 -11.107 -0.332 -2.794 124 HZ1 LYS 16 HZ1 LYS 16 -12.345 -3.004 -2.355 125 HZ2 LYS 16 HZ2 LYS 16 -11.936 -2.375 -3.862 126 HZ3 LYS 16 HZ3 LYS 16 -13.127 -1.630 -2.924 127 H GLU 17 HN GLU 17 -8.271 3.212 -2.937 128 HA GLU 17 HA GLU 17 -6.650 3.275 -5.196 129 HB2 GLU 17 HB2 GLU 17 -8.255 5.451 -3.922 130 HB3 GLU 17 HB1 GLU 17 -7.437 5.601 -5.468 131 HG2 GLU 17 HG2 GLU 17 -8.764 3.765 -6.336 132 HG3 GLU 17 HG1 GLU 17 -9.603 3.646 -4.787 133 H GLN 18 HN GLN 18 -5.963 4.635 -1.935 134 HA GLN 18 HA GLN 18 -4.033 6.389 -2.973 135 HB2 GLN 18 HB2 GLN 18 -3.523 7.038 -0.728 136 HB3 GLN 18 HB1 GLN 18 -5.205 6.531 -0.675 137 HG2 GLN 18 HG2 GLN 18 -4.635 4.474 0.309 138 HG3 GLN 18 HG1 GLN 18 -2.919 4.795 0.109 139 HE21 GLN 18 HE21 GLN 18 -5.231 7.211 1.223 140 HE22 GLN 18 HE22 GLN 18 -4.596 7.261 2.833 141 H LEU 19 HN LEU 19 -3.962 3.341 -1.525 142 HA LEU 19 HA LEU 19 -1.207 2.887 -1.560 143 HB2 LEU 19 HB2 LEU 19 -3.640 1.247 -1.345 144 HB3 LEU 19 HB1 LEU 19 -2.072 0.506 -1.338 145 HG LEU 19 HG LEU 19 -3.092 2.564 0.651 146 HD11 LEU 19 HD11 LEU 19 -4.206 0.447 0.852 147 HD12 LEU 19 HD12 LEU 19 -3.139 0.723 2.237 148 HD13 LEU 19 HD13 LEU 19 -2.651 -0.375 0.937 149 HD21 LEU 19 HD21 LEU 19 -1.081 1.999 1.959 150 HD22 LEU 19 HD22 LEU 19 -0.671 2.720 0.406 151 HD23 LEU 19 HD23 LEU 19 -0.526 0.975 0.635 152 H THR 20 HN THR 20 -3.791 2.040 -3.747 153 HA THR 20 HA THR 20 -2.378 0.485 -5.551 154 HB THR 20 HB THR 20 -4.747 2.303 -5.766 155 HG1 THR 20 HG1 THR 20 -4.369 -0.103 -4.907 156 HG21 THR 20 HG21 THR 20 -3.673 0.559 -8.011 157 HG22 THR 20 HG22 THR 20 -3.779 2.332 -7.974 158 HG23 THR 20 HG23 THR 20 -5.253 1.369 -7.990 159 H GLU 21 HN GLU 21 -2.935 3.961 -5.469 160 HA GLU 21 HA GLU 21 -1.653 4.651 -7.834 161 HB2 GLU 21 HB2 GLU 21 -3.245 5.968 -6.787 162 HB3 GLU 21 HB1 GLU 21 -2.356 6.029 -5.280 163 HG2 GLU 21 HG2 GLU 21 -0.645 7.386 -6.349 164 HG3 GLU 21 HG1 GLU 21 -1.555 7.360 -7.863 165 H SER 22 HN SER 22 -0.590 4.479 -4.548 166 HA SER 22 HA SER 22 2.001 5.570 -4.855 167 HB2 SER 22 HB2 SER 22 1.041 3.608 -2.763 168 HB3 SER 22 HB1 SER 22 2.473 4.633 -2.638 169 HG SER 22 HG SER 22 -0.252 5.368 -2.649 170 H GLY 23 HN GLY 23 0.857 2.294 -4.778 171 HA2 GLY 23 HA2 GLY 23 3.335 0.960 -5.207 172 HA3 GLY 23 HA1 GLY 23 1.750 0.293 -5.568 173 H LYS 24 HN LYS 24 0.977 2.337 -7.403 174 HA LYS 24 HA LYS 24 2.021 1.302 -9.764 175 HB2 LYS 24 HB2 LYS 24 0.388 3.719 -9.138 176 HB3 LYS 24 HB1 LYS 24 0.766 3.199 -10.778 177 HG2 LYS 24 HG2 LYS 24 -0.467 1.377 -8.768 178 HG3 LYS 24 HG1 LYS 24 -1.493 2.436 -9.712 179 HD2 LYS 24 HD2 LYS 24 0.472 0.354 -10.792 180 HD3 LYS 24 HD1 LYS 24 -1.257 0.117 -10.620 181 HE2 LYS 24 HE2 LYS 24 -1.776 1.675 -12.196 182 HE3 LYS 24 HE1 LYS 24 -0.172 2.394 -12.227 183 HZ1 LYS 24 HZ1 LYS 24 -0.870 -0.317 -13.281 184 HZ2 LYS 24 HZ2 LYS 24 0.657 0.375 -13.249 185 HZ3 LYS 24 HZ3 LYS 24 -0.549 1.075 -14.179 186 H LYS 25 HN LYS 25 2.917 4.109 -7.889 187 HA LYS 25 HA LYS 25 4.556 5.322 -9.852 188 HB2 LYS 25 HB2 LYS 25 4.616 5.503 -6.855 189 HB3 LYS 25 HB1 LYS 25 5.392 6.637 -7.961 190 HG2 LYS 25 HG2 LYS 25 3.202 7.294 -8.792 191 HG3 LYS 25 HG1 LYS 25 2.440 6.128 -7.712 192 HD2 LYS 25 HD2 LYS 25 3.472 7.320 -5.795 193 HD3 LYS 25 HD1 LYS 25 4.045 8.555 -6.928 194 HE2 LYS 25 HE2 LYS 25 1.676 8.866 -7.640 195 HE3 LYS 25 HE1 LYS 25 1.246 7.725 -6.370 196 HZ1 LYS 25 HZ1 LYS 25 0.987 10.095 -5.654 197 HZ2 LYS 25 HZ2 LYS 25 2.620 10.316 -5.871 198 HZ3 LYS 25 HZ3 LYS 25 2.073 9.243 -4.694 199 H ARG 26 HN ARG 26 4.998 3.156 -7.217 200 HA ARG 26 HA ARG 26 7.903 3.187 -7.367 201 HB2 ARG 26 HB2 ARG 26 6.130 1.434 -5.698 202 HB3 ARG 26 HB1 ARG 26 7.856 1.660 -5.495 203 HG2 ARG 26 HG2 ARG 26 7.487 3.986 -4.899 204 HG3 ARG 26 HG1 ARG 26 5.751 3.769 -5.148 205 HD2 ARG 26 HD2 ARG 26 5.843 1.929 -3.452 206 HD3 ARG 26 HD1 ARG 26 7.492 2.434 -3.098 207 HE ARG 26 HE ARG 26 6.106 4.705 -2.892 208 HH11 ARG 26 HH11 ARG 26 5.812 1.508 -1.394 209 HH12 ARG 26 HH12 ARG 26 4.956 2.054 -0.031 210 HH21 ARG 26 HH21 ARG 26 4.963 5.479 -0.957 211 HH22 ARG 26 HH22 ARG 26 4.479 4.344 0.221 212 H GLY 27 HN GLY 27 5.352 0.822 -7.821 213 HA2 GLY 27 HA2 GLY 27 5.342 -0.920 -9.331 214 HA3 GLY 27 HA1 GLY 27 7.116 -0.928 -9.352 215 H VAL 28 HN VAL 28 5.800 -0.393 -6.283 216 HA VAL 28 HA VAL 28 5.554 -3.089 -5.444 217 HB VAL 28 HB VAL 28 8.003 -2.757 -5.910 218 HG11 VAL 28 HG11 VAL 28 8.274 -0.523 -5.166 219 HG12 VAL 28 HG12 VAL 28 9.354 -1.596 -4.243 220 HG13 VAL 28 HG13 VAL 28 7.850 -1.000 -3.516 221 HG21 VAL 28 HG21 VAL 28 7.157 -3.461 -3.158 222 HG22 VAL 28 HG22 VAL 28 8.733 -3.884 -3.876 223 HG23 VAL 28 HG23 VAL 28 7.221 -4.521 -4.565 224 H LEU 29 HN LEU 29 5.091 -3.249 -3.269 225 HA LEU 29 HA LEU 29 4.899 -0.882 -1.647 226 HB2 LEU 29 HB2 LEU 29 2.608 -2.634 -2.456 227 HB3 LEU 29 HB1 LEU 29 2.551 -1.745 -0.965 228 HG LEU 29 HG LEU 29 2.780 -0.498 -3.705 229 HD11 LEU 29 HD11 LEU 29 0.659 -1.691 -3.373 230 HD12 LEU 29 HD12 LEU 29 0.421 0.059 -3.383 231 HD13 LEU 29 HD13 LEU 29 0.418 -0.827 -1.856 232 HD21 LEU 29 HD21 LEU 29 3.672 0.897 -1.896 233 HD22 LEU 29 HD22 LEU 29 2.164 0.676 -1.000 234 HD23 LEU 29 HD23 LEU 29 2.159 1.543 -2.537 235 H THR 30 HN THR 30 5.235 -1.528 0.545 236 HA THR 30 HA THR 30 5.763 -4.281 1.113 237 HB THR 30 HB THR 30 5.734 -3.536 3.554 238 HG1 THR 30 HG1 THR 30 5.326 -1.025 2.335 239 HG21 THR 30 HG21 THR 30 7.845 -3.798 2.444 240 HG22 THR 30 HG22 THR 30 7.878 -2.401 3.505 241 HG23 THR 30 HG23 THR 30 7.734 -2.169 1.748 242 H TYR 31 HN TYR 31 4.462 -5.768 2.260 243 HA TYR 31 HA TYR 31 1.671 -5.612 2.133 244 HB2 TYR 31 HB2 TYR 31 3.315 -7.250 4.085 245 HB3 TYR 31 HB1 TYR 31 1.601 -7.452 3.812 246 HD1 TYR 31 HD1 TYR 31 4.543 -8.973 3.282 247 HD2 TYR 31 HD2 TYR 31 1.199 -7.662 1.025 248 HE1 TYR 31 HE1 TYR 31 5.066 -10.645 1.566 249 HE2 TYR 31 HE2 TYR 31 1.699 -9.340 -0.699 250 HH TYR 31 HH TYR 31 3.972 -11.848 -0.204 251 H GLU 32 HN GLU 32 3.896 -4.602 4.642 252 HA GLU 32 HA GLU 32 1.880 -4.367 6.617 253 HB2 GLU 32 HB2 GLU 32 4.318 -4.765 7.108 254 HB3 GLU 32 HB1 GLU 32 4.586 -3.058 6.763 255 HG2 GLU 32 HG2 GLU 32 2.960 -2.472 8.508 256 HG3 GLU 32 HG1 GLU 32 2.777 -4.176 8.889 257 H GLU 33 HN GLU 33 3.188 -2.022 4.274 258 HA GLU 33 HA GLU 33 2.024 0.182 5.719 259 HB2 GLU 33 HB2 GLU 33 2.659 1.580 3.869 260 HB3 GLU 33 HB1 GLU 33 3.970 0.456 4.168 261 HG2 GLU 33 HG2 GLU 33 3.052 -0.942 2.297 262 HG3 GLU 33 HG1 GLU 33 1.961 0.405 1.959 263 H ILE 34 HN ILE 34 1.114 -2.026 3.262 264 HA ILE 34 HA ILE 34 -1.269 -0.786 2.494 265 HB ILE 34 HB ILE 34 -0.443 -3.698 2.420 266 HG12 ILE 34 HG12 ILE 34 -0.459 -1.586 0.256 267 HG13 ILE 34 HG11 ILE 34 0.967 -2.112 1.136 268 HG21 ILE 34 HG21 ILE 34 -2.831 -3.568 2.334 269 HG22 ILE 34 HG22 ILE 34 -2.254 -3.884 0.684 270 HG23 ILE 34 HG23 ILE 34 -2.769 -2.269 1.156 271 HD11 ILE 34 HD11 ILE 34 -0.738 -3.828 -0.643 272 HD12 ILE 34 HD12 ILE 34 0.717 -4.347 0.216 273 HD13 ILE 34 HD13 ILE 34 0.824 -3.129 -1.056 274 H ALA 35 HN ALA 35 -0.405 -3.091 5.054 275 HA ALA 35 HA ALA 35 -2.998 -3.627 5.877 276 HB1 ALA 35 HB1 ALA 35 -1.917 -4.646 7.843 277 HB2 ALA 35 HB2 ALA 35 -0.381 -3.933 7.351 278 HB3 ALA 35 HB3 ALA 35 -1.154 -5.147 6.333 279 H GLU 36 HN GLU 36 -0.564 -1.211 6.597 280 HA GLU 36 HA GLU 36 -1.342 -0.259 9.052 281 HB2 GLU 36 HB2 GLU 36 0.765 0.353 8.052 282 HB3 GLU 36 HB1 GLU 36 -0.058 1.154 6.723 283 HG2 GLU 36 HG2 GLU 36 -1.031 2.753 8.356 284 HG3 GLU 36 HG1 GLU 36 -0.052 2.005 9.612 285 H ARG 37 HN ARG 37 -2.175 1.079 5.819 286 HA ARG 37 HA ARG 37 -3.910 3.002 6.858 287 HB2 ARG 37 HB2 ARG 37 -3.819 1.807 4.097 288 HB3 ARG 37 HB1 ARG 37 -4.434 3.392 4.550 289 HG2 ARG 37 HG2 ARG 37 -1.578 2.509 4.789 290 HG3 ARG 37 HG1 ARG 37 -2.230 3.515 3.501 291 HD2 ARG 37 HD2 ARG 37 -2.711 5.287 4.990 292 HD3 ARG 37 HD1 ARG 37 -2.427 4.281 6.406 293 HE ARG 37 HE ARG 37 -0.131 4.401 6.047 294 HH11 ARG 37 HH11 ARG 37 -1.857 6.255 3.590 295 HH12 ARG 37 HH12 ARG 37 -0.531 7.291 3.265 296 HH21 ARG 37 HH21 ARG 37 1.662 5.763 5.557 297 HH22 ARG 37 HH22 ARG 37 1.520 6.985 4.379 298 H MET 38 HN MET 38 -4.259 -0.317 5.973 299 HA MET 38 HA MET 38 -7.113 -0.116 5.922 300 HB2 MET 38 HB2 MET 38 -5.425 -2.623 5.847 301 HB3 MET 38 HB1 MET 38 -7.150 -2.514 5.605 302 HG2 MET 38 HG2 MET 38 -5.083 -1.232 3.868 303 HG3 MET 38 HG1 MET 38 -5.994 -2.703 3.509 304 HE1 MET 38 HE1 MET 38 -7.508 -0.158 0.994 305 HE2 MET 38 HE2 MET 38 -6.837 -1.772 1.208 306 HE3 MET 38 HE3 MET 38 -5.831 -0.355 1.506 307 H SER 39 HN SER 39 -4.937 -0.083 8.345 308 HA SER 39 HA SER 39 -6.389 -1.714 10.193 309 HB2 SER 39 HB2 SER 39 -3.907 -1.282 10.374 310 HB3 SER 39 HB1 SER 39 -4.271 0.396 10.755 311 HG SER 39 HG SER 39 -5.333 -0.303 12.615 312 H SER 40 HN SER 40 -6.660 1.428 8.876 313 HA SER 40 HA SER 40 -8.108 2.708 10.944 314 HB2 SER 40 HB2 SER 40 -7.038 3.883 8.977 315 HB3 SER 40 HB1 SER 40 -8.257 3.144 7.947 316 HG SER 40 HG SER 40 -9.816 4.273 9.405 317 H PHE 41 HN PHE 41 -8.805 0.393 8.535 318 HA PHE 41 HA PHE 41 -11.709 0.470 8.992 319 HB2 PHE 41 HB2 PHE 41 -10.044 -1.055 7.032 320 HB3 PHE 41 HB1 PHE 41 -11.786 -0.958 6.940 321 HD1 PHE 41 HD1 PHE 41 -8.969 0.133 5.506 322 HD2 PHE 41 HD2 PHE 41 -12.470 1.761 7.256 323 HE1 PHE 41 HE1 PHE 41 -8.564 2.235 4.337 324 HE2 PHE 41 HE2 PHE 41 -12.090 3.877 6.067 325 HZ PHE 41 HZ PHE 41 -10.123 4.112 4.612 326 H GLU 42 HN GLU 42 -8.899 -1.508 9.238 327 HA GLU 42 HA GLU 42 -8.307 -3.270 10.363 328 HB2 GLU 42 HB2 GLU 42 -11.079 -3.256 11.598 329 HB3 GLU 42 HB1 GLU 42 -9.791 -4.367 12.061 330 HG2 GLU 42 HG2 GLU 42 -8.426 -2.579 12.849 331 HG3 GLU 42 HG1 GLU 42 -9.528 -1.381 12.185 332 H ILE 43 HN ILE 43 -8.112 -3.889 8.293 333 HA ILE 43 HA ILE 43 -10.016 -5.874 7.262 334 HB ILE 43 HB ILE 43 -7.634 -4.552 5.952 335 HG12 ILE 43 HG12 ILE 43 -9.548 -3.029 6.413 336 HG13 ILE 43 HG11 ILE 43 -9.179 -3.204 4.702 337 HG21 ILE 43 HG21 ILE 43 -8.052 -6.759 5.034 338 HG22 ILE 43 HG22 ILE 43 -8.440 -5.499 3.860 339 HG23 ILE 43 HG23 ILE 43 -9.734 -6.312 4.744 340 HD11 ILE 43 HD11 ILE 43 -11.401 -4.561 6.202 341 HD12 ILE 43 HD12 ILE 43 -10.959 -4.810 4.505 342 HD13 ILE 43 HD13 ILE 43 -11.549 -3.225 5.034 343 H GLU 44 HN GLU 44 -9.498 -7.916 7.332 344 HA GLU 44 HA GLU 44 -7.102 -8.810 8.626 345 HB2 GLU 44 HB2 GLU 44 -9.327 -10.363 7.311 346 HB3 GLU 44 HB1 GLU 44 -8.101 -11.024 8.382 347 HG2 GLU 44 HG2 GLU 44 -10.066 -8.910 9.155 348 HG3 GLU 44 HG1 GLU 44 -10.297 -10.624 9.463 349 H SER 45 HN SER 45 -5.766 -10.561 7.631 350 HA SER 45 HA SER 45 -4.622 -9.606 5.276 351 HB2 SER 45 HB2 SER 45 -3.423 -10.875 7.078 352 HB3 SER 45 HB1 SER 45 -4.209 -12.346 6.509 353 HG SER 45 HG SER 45 -1.982 -11.323 5.697 354 H ASP 46 HN ASP 46 -7.123 -11.914 5.837 355 HA ASP 46 HA ASP 46 -7.158 -13.472 3.514 356 HB2 ASP 46 HB2 ASP 46 -9.604 -12.395 4.931 357 HB3 ASP 46 HB1 ASP 46 -9.503 -13.857 3.957 358 H GLN 47 HN GLN 47 -8.721 -10.383 4.194 359 HA GLN 47 HA GLN 47 -9.771 -10.169 1.516 360 HB2 GLN 47 HB2 GLN 47 -9.630 -7.970 3.552 361 HB3 GLN 47 HB1 GLN 47 -10.737 -8.103 2.196 362 HG2 GLN 47 HG2 GLN 47 -11.565 -10.252 3.411 363 HG3 GLN 47 HG1 GLN 47 -10.744 -9.542 4.800 364 HE21 GLN 47 HE21 GLN 47 -11.370 -6.806 3.880 365 HE22 GLN 47 HE22 GLN 47 -13.038 -6.602 4.243 366 H MET 48 HN MET 48 -7.040 -9.047 3.335 367 HA MET 48 HA MET 48 -6.169 -7.054 1.645 368 HB2 MET 48 HB2 MET 48 -4.627 -8.862 3.481 369 HB3 MET 48 HB1 MET 48 -3.811 -7.666 2.510 370 HG2 MET 48 HG2 MET 48 -6.036 -6.865 4.338 371 HG3 MET 48 HG1 MET 48 -4.411 -7.150 4.952 372 HE1 MET 48 HE1 MET 48 -6.605 -4.943 2.486 373 HE2 MET 48 HE2 MET 48 -5.286 -5.410 1.382 374 HE3 MET 48 HE3 MET 48 -5.417 -3.763 1.936 375 H ASP 49 HN ASP 49 -5.602 -10.534 1.615 376 HA ASP 49 HA ASP 49 -3.667 -10.785 -0.380 377 HB2 ASP 49 HB2 ASP 49 -4.453 -12.613 1.089 378 HB3 ASP 49 HB1 ASP 49 -5.971 -12.643 0.209 379 H GLU 50 HN GLU 50 -7.134 -10.523 -0.649 380 HA GLU 50 HA GLU 50 -7.170 -10.919 -3.434 381 HB2 GLU 50 HB2 GLU 50 -9.207 -9.625 -1.629 382 HB3 GLU 50 HB1 GLU 50 -9.495 -10.052 -3.313 383 HG2 GLU 50 HG2 GLU 50 -9.076 -12.392 -2.812 384 HG3 GLU 50 HG1 GLU 50 -8.757 -11.976 -1.129 385 H TYR 51 HN TYR 51 -6.795 -8.118 -1.395 386 HA TYR 51 HA TYR 51 -6.915 -6.235 -3.521 387 HB2 TYR 51 HB2 TYR 51 -7.255 -5.524 -1.215 388 HB3 TYR 51 HB1 TYR 51 -5.618 -6.010 -0.798 389 HD1 TYR 51 HD1 TYR 51 -6.978 -3.960 -3.687 390 HD2 TYR 51 HD2 TYR 51 -4.383 -4.138 -0.295 391 HE1 TYR 51 HE1 TYR 51 -6.129 -1.741 -4.205 392 HE2 TYR 51 HE2 TYR 51 -3.533 -1.898 -0.851 393 HH TYR 51 HH TYR 51 -5.004 0.138 -3.066 394 H TYR 52 HN TYR 52 -4.403 -8.226 -2.117 395 HA TYR 52 HA TYR 52 -2.226 -6.950 -3.336 396 HB2 TYR 52 HB2 TYR 52 -2.447 -9.827 -2.394 397 HB3 TYR 52 HB1 TYR 52 -0.943 -9.067 -2.896 398 HD1 TYR 52 HD1 TYR 52 -1.470 -6.329 -1.598 399 HD2 TYR 52 HD2 TYR 52 -1.858 -10.296 -0.092 400 HE1 TYR 52 HE1 TYR 52 -1.149 -5.508 0.659 401 HE2 TYR 52 HE2 TYR 52 -1.555 -9.431 2.196 402 HH TYR 52 HH TYR 52 -1.717 -6.153 2.949 403 H GLU 53 HN GLU 53 -4.280 -9.601 -4.423 404 HA GLU 53 HA GLU 53 -3.031 -10.115 -6.860 405 HB2 GLU 53 HB2 GLU 53 -4.818 -11.524 -5.951 406 HB3 GLU 53 HB1 GLU 53 -5.966 -10.206 -6.149 407 HG2 GLU 53 HG2 GLU 53 -5.560 -10.291 -8.591 408 HG3 GLU 53 HG1 GLU 53 -4.547 -11.708 -8.333 409 H PHE 54 HN PHE 54 -5.562 -7.846 -5.976 410 HA PHE 54 HA PHE 54 -6.144 -6.737 -8.461 411 HB2 PHE 54 HB2 PHE 54 -7.609 -6.229 -6.660 412 HB3 PHE 54 HB1 PHE 54 -6.289 -5.653 -5.658 413 HD1 PHE 54 HD1 PHE 54 -8.303 -4.845 -8.638 414 HD2 PHE 54 HD2 PHE 54 -5.611 -3.481 -5.692 415 HE1 PHE 54 HE1 PHE 54 -8.674 -2.516 -9.383 416 HE2 PHE 54 HE2 PHE 54 -5.959 -1.168 -6.406 417 HZ PHE 54 HZ PHE 54 -7.453 -0.675 -8.226 418 H LEU 55 HN LEU 55 -3.852 -5.655 -6.004 419 HA LEU 55 HA LEU 55 -2.757 -3.519 -7.363 420 HB2 LEU 55 HB2 LEU 55 -1.565 -5.376 -5.330 421 HB3 LEU 55 HB1 LEU 55 -0.727 -3.957 -5.913 422 HG LEU 55 HG LEU 55 -3.407 -3.862 -4.550 423 HD11 LEU 55 HD11 LEU 55 -2.166 -3.039 -2.630 424 HD12 LEU 55 HD12 LEU 55 -0.650 -3.291 -3.488 425 HD13 LEU 55 HD13 LEU 55 -1.653 -4.674 -3.045 426 HD21 LEU 55 HD21 LEU 55 -2.981 -1.987 -6.049 427 HD22 LEU 55 HD22 LEU 55 -1.405 -1.740 -5.301 428 HD23 LEU 55 HD23 LEU 55 -2.875 -1.480 -4.365 429 H GLY 56 HN GLY 56 -1.852 -6.905 -7.372 430 HA2 GLY 56 HA2 GLY 56 0.396 -6.730 -9.035 431 HA3 GLY 56 HA1 GLY 56 -0.600 -8.172 -8.829 432 H GLU 57 HN GLU 57 -3.033 -7.180 -9.849 433 HA GLU 57 HA GLU 57 -2.656 -7.467 -12.566 434 HB2 GLU 57 HB2 GLU 57 -4.965 -6.385 -11.013 435 HB3 GLU 57 HB1 GLU 57 -5.033 -6.841 -12.715 436 HG2 GLU 57 HG2 GLU 57 -4.394 -9.161 -12.023 437 HG3 GLU 57 HG1 GLU 57 -4.539 -8.637 -10.347 438 H GLN 58 HN GLN 58 -2.911 -4.590 -10.575 439 HA GLN 58 HA GLN 58 -3.083 -2.744 -12.780 440 HB2 GLN 58 HB2 GLN 58 -2.170 -2.155 -9.948 441 HB3 GLN 58 HB1 GLN 58 -2.751 -0.997 -11.128 442 HG2 GLN 58 HG2 GLN 58 -4.395 -3.113 -9.759 443 HG3 GLN 58 HG1 GLN 58 -4.430 -1.381 -9.453 444 HE21 GLN 58 HE21 GLN 58 -5.480 -3.938 -11.506 445 HE22 GLN 58 HE22 GLN 58 -6.540 -2.994 -12.467 446 H GLY 59 HN GLY 59 -0.539 -3.822 -10.605 447 HA2 GLY 59 HA2 GLY 59 1.494 -4.456 -12.053 448 HA3 GLY 59 HA1 GLY 59 1.455 -2.758 -12.501 449 H VAL 60 HN VAL 60 1.081 -4.443 -9.381 450 HA VAL 60 HA VAL 60 3.403 -2.931 -8.309 451 HB VAL 60 HB VAL 60 0.909 -3.578 -6.747 452 HG11 VAL 60 HG11 VAL 60 1.780 -1.964 -5.127 453 HG12 VAL 60 HG12 VAL 60 3.187 -1.720 -6.151 454 HG13 VAL 60 HG13 VAL 60 2.892 -3.296 -5.426 455 HG21 VAL 60 HG21 VAL 60 1.552 -0.924 -8.048 456 HG22 VAL 60 HG22 VAL 60 0.243 -1.194 -6.899 457 HG23 VAL 60 HG23 VAL 60 0.215 -1.992 -8.474 458 H GLU 61 HN GLU 61 4.819 -4.271 -7.426 459 HA GLU 61 HA GLU 61 3.981 -6.972 -6.756 460 HB2 GLU 61 HB2 GLU 61 6.664 -5.619 -6.845 461 HB3 GLU 61 HB1 GLU 61 6.428 -7.292 -6.351 462 HG2 GLU 61 HG2 GLU 61 5.441 -7.729 -8.572 463 HG3 GLU 61 HG1 GLU 61 5.874 -6.086 -9.046 464 H LEU 62 HN LEU 62 4.067 -7.718 -4.579 465 HA LEU 62 HA LEU 62 4.255 -5.501 -2.720 466 HB2 LEU 62 HB2 LEU 62 2.952 -8.174 -2.326 467 HB3 LEU 62 HB1 LEU 62 2.882 -6.802 -1.247 468 HG LEU 62 HG LEU 62 0.853 -6.765 -2.200 469 HD11 LEU 62 HD11 LEU 62 0.643 -4.923 -3.749 470 HD12 LEU 62 HD12 LEU 62 2.398 -4.926 -3.935 471 HD13 LEU 62 HD13 LEU 62 1.675 -4.600 -2.356 472 HD21 LEU 62 HD21 LEU 62 0.278 -7.116 -4.536 473 HD22 LEU 62 HD22 LEU 62 1.039 -8.507 -3.783 474 HD23 LEU 62 HD23 LEU 62 1.975 -7.484 -4.896 475 H ILE 63 HN ILE 63 5.965 -5.407 -1.506 476 HA ILE 63 HA ILE 63 7.562 -7.810 -1.013 477 HB ILE 63 HB ILE 63 9.155 -6.191 0.140 478 HG12 ILE 63 HG12 ILE 63 7.383 -4.134 -1.191 479 HG13 ILE 63 HG11 ILE 63 7.655 -4.357 0.525 480 HG21 ILE 63 HG21 ILE 63 9.686 -7.055 -2.009 481 HG22 ILE 63 HG22 ILE 63 10.120 -5.337 -1.907 482 HG23 ILE 63 HG23 ILE 63 8.653 -5.823 -2.773 483 HD11 ILE 63 HD11 ILE 63 8.873 -2.437 -0.352 484 HD12 ILE 63 HD12 ILE 63 9.746 -3.501 -1.459 485 HD13 ILE 63 HD13 ILE 63 9.962 -3.670 0.281 486 H SER 64 HN SER 64 8.481 -7.752 1.346 487 HA SER 64 HA SER 64 6.129 -8.006 2.950 488 HB2 SER 64 HB2 SER 64 7.828 -9.721 3.070 489 HB3 SER 64 HB1 SER 64 9.030 -8.559 3.597 490 HG SER 64 HG SER 64 7.375 -9.964 5.094 491 H GLU 65 HN GLU 65 9.098 -6.732 3.983 492 HA GLU 65 HA GLU 65 8.913 -4.105 4.434 493 HB2 GLU 65 HB2 GLU 65 6.771 -4.546 5.727 494 HB3 GLU 65 HB1 GLU 65 7.694 -5.560 6.818 495 HG2 GLU 65 HG2 GLU 65 8.364 -2.676 6.433 496 HG3 GLU 65 HG1 GLU 65 7.085 -3.149 7.533 497 H ASN 66 HN ASN 66 9.402 -7.217 5.865 498 HA ASN 66 HA ASN 66 11.872 -6.656 7.180 499 HB2 ASN 66 HB2 ASN 66 10.318 -8.591 7.699 500 HB3 ASN 66 HB1 ASN 66 10.791 -9.294 6.160 501 HD21 ASN 66 HD21 ASN 66 12.683 -10.407 6.033 502 HD22 ASN 66 HD22 ASN 66 13.705 -10.748 7.382 503 H GLU 67 HN GLU 67 11.083 -6.524 4.064 504 HA GLU 67 HA GLU 67 13.787 -6.630 3.182 505 HB2 GLU 67 HB2 GLU 67 13.190 -7.796 1.109 506 HB3 GLU 67 HB1 GLU 67 12.852 -8.820 2.521 507 HG2 GLU 67 HG2 GLU 67 10.481 -8.187 2.293 508 HG3 GLU 67 HG1 GLU 67 10.937 -7.215 0.890 509 H GLU 68 HN GLU 68 14.004 -5.236 1.419 510 HA GLU 68 HA GLU 68 12.065 -3.938 -0.024 511 HB2 GLU 68 HB2 GLU 68 11.443 -2.813 2.128 512 HB3 GLU 68 HB1 GLU 68 13.109 -2.280 2.304 513 HG2 GLU 68 HG2 GLU 68 11.802 -1.424 -0.193 514 HG3 GLU 68 HG1 GLU 68 11.070 -0.776 1.266 515 H THR 69 HN THR 69 13.121 -2.903 -1.634 516 HA THR 69 HA THR 69 15.744 -2.025 -1.196 517 HB THR 69 HB THR 69 16.359 -4.292 -1.588 518 HG1 THR 69 HG1 THR 69 17.597 -4.093 -3.504 519 HG21 THR 69 HG21 THR 69 15.780 -5.533 -3.636 520 HG22 THR 69 HG22 THR 69 14.731 -4.201 -4.131 521 HG23 THR 69 HG23 THR 69 14.348 -5.134 -2.685 522 H GLU 70 HN GLU 70 14.395 -0.278 -1.520 523 HA GLU 70 HA GLU 70 14.831 0.573 -4.260 524 HB2 GLU 70 HB2 GLU 70 12.811 1.926 -4.261 525 HB3 GLU 70 HB1 GLU 70 12.397 0.235 -4.023 526 HG2 GLU 70 HG2 GLU 70 11.959 0.617 -1.695 527 HG3 GLU 70 HG1 GLU 70 12.605 2.254 -1.798 528 H ASP 71 HN ASP 71 14.698 1.215 -0.825 529 HA ASP 71 HA ASP 71 15.802 3.905 -1.273 530 HB2 ASP 71 HB2 ASP 71 13.690 3.828 -0.018 531 HB3 ASP 71 HB1 ASP 71 14.401 2.721 1.134 532 H LEU 72 HN LEU 72 16.906 0.975 -0.825 533 HA LEU 72 HA LEU 72 18.638 1.260 1.421 534 HB2 LEU 72 HB2 LEU 72 18.896 -0.642 -0.892 535 HB3 LEU 72 HB1 LEU 72 19.879 -0.705 0.550 536 HG LEU 72 HG LEU 72 16.911 -1.196 0.375 537 HD11 LEU 72 HD11 LEU 72 19.232 -3.014 1.003 538 HD12 LEU 72 HD12 LEU 72 18.291 -3.013 -0.488 539 HD13 LEU 72 HD13 LEU 72 17.529 -3.472 1.035 540 HD21 LEU 72 HD21 LEU 72 17.071 -1.800 2.759 541 HD22 LEU 72 HD22 LEU 72 17.424 -0.096 2.490 542 HD23 LEU 72 HD23 LEU 72 18.742 -1.235 2.783 543 H GLU 73 HN GLU 73 19.036 2.130 -1.908 544 HA GLU 73 HA GLU 73 21.871 2.651 -1.542 545 HB2 GLU 73 HB2 GLU 73 20.076 3.229 -3.905 546 HB3 GLU 73 HB1 GLU 73 21.820 3.455 -3.872 547 HG2 GLU 73 HG2 GLU 73 20.333 0.850 -3.652 548 HG3 GLU 73 HG1 GLU 73 21.295 1.414 -5.019 549 H HIS 74 HN HIS 74 19.105 4.187 -0.744 550 HA HIS 74 HA HIS 74 20.135 6.886 -1.108 551 HB2 HIS 74 HB2 HIS 74 17.838 6.491 -1.861 552 HB3 HIS 74 HB1 HIS 74 17.409 5.831 -0.290 553 HD1 HIS 74 HD1 HIS 74 16.431 7.464 1.334 554 HD2 HIS 74 HD2 HIS 74 18.403 9.330 -1.805 555 HE1 HIS 74 HE1 HIS 74 15.977 9.932 1.591 556 H HIS 75 HN HIS 75 21.471 7.339 0.494 557 HA HIS 75 HA HIS 75 20.933 6.297 3.177 558 HB2 HIS 75 HB2 HIS 75 23.186 5.877 2.277 559 HB3 HIS 75 HB1 HIS 75 23.407 7.599 2.009 560 HD1 HIS 75 HD1 HIS 75 24.583 8.819 3.851 561 HD2 HIS 75 HD2 HIS 75 22.892 5.256 5.138 562 HE1 HIS 75 HE1 HIS 75 25.308 8.534 6.226 563 H HIS 76 HN HIS 76 22.008 9.287 1.635 564 HA HIS 76 HA HIS 76 20.106 10.976 2.693 565 HB2 HIS 76 HB2 HIS 76 21.244 10.636 4.874 566 HB3 HIS 76 HB1 HIS 76 22.790 11.047 4.164 567 HD1 HIS 76 HD1 HIS 76 23.487 13.438 4.515 568 HD2 HIS 76 HD2 HIS 76 19.367 12.943 4.781 569 HE1 HIS 76 HE1 HIS 76 22.563 15.659 5.240 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -12.098 6.246 -5.782 2 H2 ALA 1 HT2 ALA 1 -12.680 5.917 -7.286 3 H3 ALA 1 HT3 ALA 1 -13.756 6.410 -6.085 4 HA ALA 1 HA ALA 1 -13.306 8.081 -7.767 5 HB1 ALA 1 HB1 ALA 1 -13.919 8.799 -5.492 6 HB2 ALA 1 HB2 ALA 1 -12.819 9.948 -6.261 7 HB3 ALA 1 HB3 ALA 1 -12.214 8.820 -5.050 8 H ASP 2 HN ASP 2 -10.467 8.476 -5.686 9 HA ASP 2 HA ASP 2 -8.406 7.801 -7.422 10 HB2 ASP 2 HB2 ASP 2 -9.262 9.671 -8.874 11 HB3 ASP 2 HB1 ASP 2 -9.097 10.770 -7.514 12 H LYS 3 HN LYS 3 -9.483 10.460 -5.408 13 HA LYS 3 HA LYS 3 -7.662 9.701 -3.270 14 HB2 LYS 3 HB2 LYS 3 -8.106 12.541 -4.276 15 HB3 LYS 3 HB1 LYS 3 -7.230 12.114 -2.819 16 HG2 LYS 3 HG2 LYS 3 -6.425 11.350 -5.610 17 HG3 LYS 3 HG1 LYS 3 -5.776 12.718 -4.706 18 HD2 LYS 3 HD2 LYS 3 -4.784 11.285 -3.091 19 HD3 LYS 3 HD1 LYS 3 -5.652 9.879 -3.706 20 HE2 LYS 3 HE2 LYS 3 -3.587 11.452 -5.230 21 HE3 LYS 3 HE1 LYS 3 -3.303 9.910 -4.421 22 HZ1 LYS 3 HZ1 LYS 3 -3.681 9.539 -6.714 23 HZ2 LYS 3 HZ2 LYS 3 -5.174 10.371 -6.709 24 HZ3 LYS 3 HZ3 LYS 3 -5.018 8.925 -5.879 25 H GLN 4 HN GLN 4 -8.452 10.961 -1.287 26 HA GLN 4 HA GLN 4 -11.170 10.367 -0.938 27 HB2 GLN 4 HB2 GLN 4 -10.885 11.495 1.279 28 HB3 GLN 4 HB1 GLN 4 -9.733 10.213 0.951 29 HG2 GLN 4 HG2 GLN 4 -8.058 11.918 0.345 30 HG3 GLN 4 HG1 GLN 4 -9.222 13.172 0.775 31 HE21 GLN 4 HE21 GLN 4 -6.607 12.466 1.912 32 HE22 GLN 4 HE22 GLN 4 -6.919 12.192 3.593 33 H THR 5 HN THR 5 -12.909 11.504 -1.260 34 HA THR 5 HA THR 5 -12.575 14.251 -2.120 35 HB THR 5 HB THR 5 -14.882 13.739 -3.155 36 HG1 THR 5 HG1 THR 5 -15.483 11.670 -3.191 37 HG21 THR 5 HG21 THR 5 -12.400 12.321 -4.160 38 HG22 THR 5 HG22 THR 5 -12.824 14.003 -4.483 39 HG23 THR 5 HG23 THR 5 -13.822 12.700 -5.130 40 H HIS 6 HN HIS 6 -13.572 12.440 0.479 41 HA HIS 6 HA HIS 6 -15.174 14.668 1.507 42 HB2 HIS 6 HB2 HIS 6 -15.888 11.729 1.786 43 HB3 HIS 6 HB1 HIS 6 -16.642 13.021 2.700 44 HD1 HIS 6 HD1 HIS 6 -18.543 14.325 1.528 45 HD2 HIS 6 HD2 HIS 6 -16.568 11.626 -0.940 46 HE1 HIS 6 HE1 HIS 6 -19.889 14.187 -0.582 47 H GLU 7 HN GLU 7 -14.442 15.313 3.408 48 HA GLU 7 HA GLU 7 -13.385 15.444 5.380 49 HB2 GLU 7 HB2 GLU 7 -13.861 12.465 5.431 50 HB3 GLU 7 HB1 GLU 7 -13.282 13.392 6.807 51 HG2 GLU 7 HG2 GLU 7 -15.923 13.731 5.402 52 HG3 GLU 7 HG1 GLU 7 -15.667 13.023 6.997 53 H THR 8 HN THR 8 -11.505 14.228 6.773 54 HA THR 8 HA THR 8 -9.281 14.043 4.908 55 HB THR 8 HB THR 8 -7.932 14.498 7.021 56 HG1 THR 8 HG1 THR 8 -8.976 14.908 8.800 57 HG21 THR 8 HG21 THR 8 -8.404 16.917 6.905 58 HG22 THR 8 HG22 THR 8 -9.893 16.566 6.023 59 HG23 THR 8 HG23 THR 8 -8.330 16.188 5.301 60 H GLU 9 HN GLU 9 -11.217 11.987 6.000 61 HA GLU 9 HA GLU 9 -9.151 9.999 6.369 62 HB2 GLU 9 HB2 GLU 9 -10.782 8.717 7.792 63 HB3 GLU 9 HB1 GLU 9 -10.111 10.188 8.490 64 HG2 GLU 9 HG2 GLU 9 -12.195 11.372 7.973 65 HG3 GLU 9 HG1 GLU 9 -12.868 9.884 7.318 66 H LEU 10 HN LEU 10 -9.434 8.187 5.212 67 HA LEU 10 HA LEU 10 -11.245 8.723 2.991 68 HB2 LEU 10 HB2 LEU 10 -9.102 6.650 2.793 69 HB3 LEU 10 HB1 LEU 10 -9.873 7.635 1.572 70 HG LEU 10 HG LEU 10 -8.534 9.587 2.592 71 HD11 LEU 10 HD11 LEU 10 -7.032 7.232 3.631 72 HD12 LEU 10 HD12 LEU 10 -7.868 8.444 4.593 73 HD13 LEU 10 HD13 LEU 10 -6.437 8.901 3.639 74 HD21 LEU 10 HD21 LEU 10 -6.593 8.993 1.201 75 HD22 LEU 10 HD22 LEU 10 -8.115 8.664 0.376 76 HD23 LEU 10 HD23 LEU 10 -7.193 7.339 1.085 77 H THR 11 HN THR 11 -11.907 6.584 1.865 78 HA THR 11 HA THR 11 -12.933 4.874 3.965 79 HB THR 11 HB THR 11 -14.571 4.127 2.282 80 HG1 THR 11 HG1 THR 11 -14.444 5.363 0.199 81 HG21 THR 11 HG21 THR 11 -15.100 6.184 3.509 82 HG22 THR 11 HG22 THR 11 -15.727 6.260 1.856 83 HG23 THR 11 HG23 THR 11 -14.243 7.122 2.286 84 H PHE 12 HN PHE 12 -13.257 2.518 2.976 85 HA PHE 12 HA PHE 12 -10.674 1.505 2.809 86 HB2 PHE 12 HB2 PHE 12 -12.498 0.158 3.703 87 HB3 PHE 12 HB1 PHE 12 -13.323 0.188 2.150 88 HD1 PHE 12 HD1 PHE 12 -13.301 -1.872 1.141 89 HD2 PHE 12 HD2 PHE 12 -9.848 -0.568 3.242 90 HE1 PHE 12 HE1 PHE 12 -12.114 -3.920 0.474 91 HE2 PHE 12 HE2 PHE 12 -8.671 -2.593 2.591 92 HZ PHE 12 HZ PHE 12 -9.792 -4.279 1.187 93 H ASP 13 HN ASP 13 -13.098 2.114 0.482 94 HA ASP 13 HA ASP 13 -11.701 1.260 -1.796 95 HB2 ASP 13 HB2 ASP 13 -13.959 3.222 -1.561 96 HB3 ASP 13 HB1 ASP 13 -13.251 2.804 -3.113 97 H GLN 14 HN GLN 14 -11.660 4.250 -0.182 98 HA GLN 14 HA GLN 14 -10.214 5.646 -2.277 99 HB2 GLN 14 HB2 GLN 14 -10.780 6.394 0.571 100 HB3 GLN 14 HB1 GLN 14 -9.962 7.467 -0.575 101 HG2 GLN 14 HG2 GLN 14 -12.713 6.378 -1.008 102 HG3 GLN 14 HG1 GLN 14 -12.395 7.890 -0.168 103 HE21 GLN 14 HE21 GLN 14 -13.433 9.101 -1.661 104 HE22 GLN 14 HE22 GLN 14 -12.747 9.408 -3.217 105 H VAL 15 HN VAL 15 -9.447 3.947 0.655 106 HA VAL 15 HA VAL 15 -6.742 4.821 0.766 107 HB VAL 15 HB VAL 15 -8.152 2.563 2.225 108 HG11 VAL 15 HG11 VAL 15 -5.327 3.615 2.464 109 HG12 VAL 15 HG12 VAL 15 -5.759 2.053 1.816 110 HG13 VAL 15 HG13 VAL 15 -6.022 2.391 3.548 111 HG21 VAL 15 HG21 VAL 15 -8.761 4.756 2.977 112 HG22 VAL 15 HG22 VAL 15 -7.057 5.221 3.125 113 HG23 VAL 15 HG23 VAL 15 -7.736 3.988 4.189 114 H LYS 16 HN LYS 16 -8.440 1.942 -0.464 115 HA LYS 16 HA LYS 16 -6.270 0.593 -1.334 116 HB2 LYS 16 HB2 LYS 16 -9.091 0.923 -2.151 117 HB3 LYS 16 HB1 LYS 16 -8.057 0.015 -3.214 118 HG2 LYS 16 HG2 LYS 16 -7.537 -1.500 -1.261 119 HG3 LYS 16 HG1 LYS 16 -8.686 -0.570 -0.304 120 HD2 LYS 16 HD2 LYS 16 -9.347 -2.152 -2.803 121 HD3 LYS 16 HD1 LYS 16 -9.675 -2.661 -1.147 122 HE2 LYS 16 HE2 LYS 16 -11.099 -0.656 -0.860 123 HE3 LYS 16 HE1 LYS 16 -10.768 -0.258 -2.545 124 HZ1 LYS 16 HZ1 LYS 16 -12.886 -1.272 -2.375 125 HZ2 LYS 16 HZ2 LYS 16 -12.268 -2.647 -1.586 126 HZ3 LYS 16 HZ3 LYS 16 -11.873 -2.347 -3.175 127 H GLU 17 HN GLU 17 -8.109 3.174 -2.912 128 HA GLU 17 HA GLU 17 -6.480 3.222 -5.172 129 HB2 GLU 17 HB2 GLU 17 -8.298 5.347 -4.040 130 HB3 GLU 17 HB1 GLU 17 -7.554 5.422 -5.636 131 HG2 GLU 17 HG2 GLU 17 -8.687 3.351 -6.273 132 HG3 GLU 17 HG1 GLU 17 -9.402 3.250 -4.674 133 H GLN 18 HN GLN 18 -5.888 4.750 -1.974 134 HA GLN 18 HA GLN 18 -3.932 6.474 -3.001 135 HB2 GLN 18 HB2 GLN 18 -3.344 7.096 -0.739 136 HB3 GLN 18 HB1 GLN 18 -5.044 6.649 -0.704 137 HG2 GLN 18 HG2 GLN 18 -4.625 4.630 0.325 138 HG3 GLN 18 HG1 GLN 18 -2.892 4.756 0.064 139 HE21 GLN 18 HE21 GLN 18 -5.568 5.886 1.996 140 HE22 GLN 18 HE22 GLN 18 -4.616 6.616 3.239 141 H LEU 19 HN LEU 19 -3.863 3.436 -1.584 142 HA LEU 19 HA LEU 19 -1.112 2.948 -1.627 143 HB2 LEU 19 HB2 LEU 19 -3.570 1.374 -1.404 144 HB3 LEU 19 HB1 LEU 19 -2.031 0.580 -1.487 145 HG LEU 19 HG LEU 19 -2.942 2.572 0.633 146 HD11 LEU 19 HD11 LEU 19 -3.001 0.687 2.137 147 HD12 LEU 19 HD12 LEU 19 -2.546 -0.378 0.801 148 HD13 LEU 19 HD13 LEU 19 -4.091 0.473 0.761 149 HD21 LEU 19 HD21 LEU 19 -0.404 0.939 0.491 150 HD22 LEU 19 HD22 LEU 19 -0.916 1.919 1.858 151 HD23 LEU 19 HD23 LEU 19 -0.516 2.693 0.326 152 H THR 20 HN THR 20 -3.733 2.097 -3.816 153 HA THR 20 HA THR 20 -2.357 0.460 -5.555 154 HB THR 20 HB THR 20 -4.680 2.324 -5.936 155 HG1 THR 20 HG1 THR 20 -4.920 0.469 -4.624 156 HG21 THR 20 HG21 THR 20 -5.170 1.187 -8.066 157 HG22 THR 20 HG22 THR 20 -3.604 0.351 -7.994 158 HG23 THR 20 HG23 THR 20 -3.674 2.110 -8.116 159 H GLU 21 HN GLU 21 -2.880 3.965 -5.722 160 HA GLU 21 HA GLU 21 -1.549 4.242 -8.182 161 HB2 GLU 21 HB2 GLU 21 -3.181 5.802 -7.366 162 HB3 GLU 21 HB1 GLU 21 -2.104 6.268 -6.048 163 HG2 GLU 21 HG2 GLU 21 -0.513 7.193 -7.609 164 HG3 GLU 21 HG1 GLU 21 -1.473 6.628 -8.974 165 H SER 22 HN SER 22 -0.523 4.514 -4.895 166 HA SER 22 HA SER 22 2.029 5.596 -5.378 167 HB2 SER 22 HB2 SER 22 1.026 3.908 -3.083 168 HB3 SER 22 HB1 SER 22 2.554 4.806 -3.075 169 HG SER 22 HG SER 22 -0.099 5.749 -2.994 170 H GLY 23 HN GLY 23 0.880 2.324 -5.051 171 HA2 GLY 23 HA2 GLY 23 3.382 1.003 -5.386 172 HA3 GLY 23 HA1 GLY 23 1.797 0.280 -5.638 173 H LYS 24 HN LYS 24 0.918 2.091 -7.615 174 HA LYS 24 HA LYS 24 1.869 0.872 -9.952 175 HB2 LYS 24 HB2 LYS 24 0.350 3.428 -9.538 176 HB3 LYS 24 HB1 LYS 24 0.634 2.694 -11.105 177 HG2 LYS 24 HG2 LYS 24 -0.683 1.155 -8.906 178 HG3 LYS 24 HG1 LYS 24 -1.636 2.285 -9.855 179 HD2 LYS 24 HD2 LYS 24 -0.085 -0.131 -10.848 180 HD3 LYS 24 HD1 LYS 24 -1.836 -0.020 -10.646 181 HE2 LYS 24 HE2 LYS 24 -1.778 1.900 -12.283 182 HE3 LYS 24 HE1 LYS 24 -0.088 1.454 -12.554 183 HZ1 LYS 24 HZ1 LYS 24 -0.893 -0.770 -13.310 184 HZ2 LYS 24 HZ2 LYS 24 -1.438 0.498 -14.246 185 HZ3 LYS 24 HZ3 LYS 24 -2.481 -0.193 -13.126 186 H LYS 25 HN LYS 25 2.735 3.903 -8.373 187 HA LYS 25 HA LYS 25 4.307 4.912 -10.505 188 HB2 LYS 25 HB2 LYS 25 4.166 5.645 -7.582 189 HB3 LYS 25 HB1 LYS 25 4.998 6.575 -8.823 190 HG2 LYS 25 HG2 LYS 25 2.946 7.045 -9.944 191 HG3 LYS 25 HG1 LYS 25 2.053 5.954 -8.888 192 HD2 LYS 25 HD2 LYS 25 1.651 8.250 -8.220 193 HD3 LYS 25 HD1 LYS 25 2.586 7.430 -6.972 194 HE2 LYS 25 HE2 LYS 25 3.447 9.666 -7.359 195 HE3 LYS 25 HE1 LYS 25 4.633 8.461 -7.846 196 HZ1 LYS 25 HZ1 LYS 25 2.823 9.974 -9.665 197 HZ2 LYS 25 HZ2 LYS 25 3.911 8.794 -10.159 198 HZ3 LYS 25 HZ3 LYS 25 4.480 10.214 -9.473 199 H ARG 26 HN ARG 26 4.891 3.190 -7.577 200 HA ARG 26 HA ARG 26 7.776 3.388 -7.770 201 HB2 ARG 26 HB2 ARG 26 6.161 1.547 -6.033 202 HB3 ARG 26 HB1 ARG 26 7.860 1.929 -5.852 203 HG2 ARG 26 HG2 ARG 26 7.277 4.217 -5.262 204 HG3 ARG 26 HG1 ARG 26 5.563 3.833 -5.485 205 HD2 ARG 26 HD2 ARG 26 5.847 1.987 -3.851 206 HD3 ARG 26 HD1 ARG 26 7.453 2.616 -3.495 207 HE ARG 26 HE ARG 26 5.769 4.719 -3.151 208 HH11 ARG 26 HH11 ARG 26 6.097 1.454 -1.796 209 HH12 ARG 26 HH12 ARG 26 5.273 1.799 -0.348 210 HH21 ARG 26 HH21 ARG 26 4.633 5.205 -1.091 211 HH22 ARG 26 HH22 ARG 26 4.461 3.910 0.037 212 H GLY 27 HN GLY 27 5.371 0.848 -8.049 213 HA2 GLY 27 HA2 GLY 27 5.452 -0.867 -9.619 214 HA3 GLY 27 HA1 GLY 27 7.222 -0.859 -9.530 215 H VAL 28 HN VAL 28 5.977 -0.293 -6.507 216 HA VAL 28 HA VAL 28 5.546 -2.999 -5.716 217 HB VAL 28 HB VAL 28 7.979 -2.828 -6.189 218 HG11 VAL 28 HG11 VAL 28 8.022 -1.020 -3.811 219 HG12 VAL 28 HG12 VAL 28 8.438 -0.606 -5.476 220 HG13 VAL 28 HG13 VAL 28 9.451 -1.738 -4.565 221 HG21 VAL 28 HG21 VAL 28 8.682 -3.969 -4.164 222 HG22 VAL 28 HG22 VAL 28 7.126 -4.526 -4.825 223 HG23 VAL 28 HG23 VAL 28 7.156 -3.465 -3.407 224 H LEU 29 HN LEU 29 5.026 -3.187 -3.574 225 HA LEU 29 HA LEU 29 4.930 -0.809 -1.942 226 HB2 LEU 29 HB2 LEU 29 2.695 -2.633 -2.685 227 HB3 LEU 29 HB1 LEU 29 2.617 -1.804 -1.166 228 HG LEU 29 HG LEU 29 2.726 -0.525 -3.908 229 HD11 LEU 29 HD11 LEU 29 0.397 0.075 -3.447 230 HD12 LEU 29 HD12 LEU 29 0.464 -0.850 -1.945 231 HD13 LEU 29 HD13 LEU 29 0.633 -1.669 -3.501 232 HD21 LEU 29 HD21 LEU 29 3.730 0.917 -2.216 233 HD22 LEU 29 HD22 LEU 29 2.310 0.711 -1.190 234 HD23 LEU 29 HD23 LEU 29 2.169 1.547 -2.738 235 H THR 30 HN THR 30 5.161 -1.372 0.313 236 HA THR 30 HA THR 30 5.970 -4.062 0.944 237 HB THR 30 HB THR 30 5.995 -3.252 3.321 238 HG1 THR 30 HG1 THR 30 5.311 -0.741 2.203 239 HG21 THR 30 HG21 THR 30 7.511 -1.533 1.366 240 HG22 THR 30 HG22 THR 30 8.020 -3.059 2.146 241 HG23 THR 30 HG23 THR 30 7.781 -1.614 3.116 242 H TYR 31 HN TYR 31 4.808 -5.482 2.334 243 HA TYR 31 HA TYR 31 1.977 -5.501 2.022 244 HB2 TYR 31 HB2 TYR 31 3.637 -7.002 4.072 245 HB3 TYR 31 HB1 TYR 31 1.934 -7.277 3.778 246 HD1 TYR 31 HD1 TYR 31 5.182 -8.323 3.038 247 HD2 TYR 31 HD2 TYR 31 1.342 -7.952 1.289 248 HE1 TYR 31 HE1 TYR 31 5.789 -10.026 1.375 249 HE2 TYR 31 HE2 TYR 31 1.922 -9.649 -0.378 250 HH TYR 31 HH TYR 31 3.852 -10.657 -1.400 251 H GLU 32 HN GLU 32 4.095 -4.363 4.523 252 HA GLU 32 HA GLU 32 1.999 -4.091 6.393 253 HB2 GLU 32 HB2 GLU 32 4.892 -3.349 6.579 254 HB3 GLU 32 HB1 GLU 32 3.735 -3.194 7.906 255 HG2 GLU 32 HG2 GLU 32 3.251 -5.580 7.784 256 HG3 GLU 32 HG1 GLU 32 4.374 -5.743 6.444 257 H GLU 33 HN GLU 33 3.417 -1.760 4.140 258 HA GLU 33 HA GLU 33 2.311 0.466 5.585 259 HB2 GLU 33 HB2 GLU 33 2.815 1.821 3.661 260 HB3 GLU 33 HB1 GLU 33 4.147 0.695 3.845 261 HG2 GLU 33 HG2 GLU 33 3.059 -0.728 2.088 262 HG3 GLU 33 HG1 GLU 33 1.917 0.596 1.842 263 H ILE 34 HN ILE 34 1.269 -1.810 3.267 264 HA ILE 34 HA ILE 34 -1.173 -0.628 2.543 265 HB ILE 34 HB ILE 34 -0.235 -3.499 2.470 266 HG12 ILE 34 HG12 ILE 34 -0.561 -1.450 0.270 267 HG13 ILE 34 HG11 ILE 34 0.964 -1.852 1.053 268 HG21 ILE 34 HG21 ILE 34 -2.137 -3.904 0.946 269 HG22 ILE 34 HG22 ILE 34 -2.723 -2.269 1.306 270 HG23 ILE 34 HG23 ILE 34 -2.643 -3.478 2.584 271 HD11 ILE 34 HD11 ILE 34 0.675 -2.942 -1.119 272 HD12 ILE 34 HD12 ILE 34 -0.737 -3.795 -0.480 273 HD13 ILE 34 HD13 ILE 34 0.866 -4.073 0.212 274 H ALA 35 HN ALA 35 -0.172 -2.811 5.142 275 HA ALA 35 HA ALA 35 -2.726 -3.482 6.021 276 HB1 ALA 35 HB1 ALA 35 -0.052 -3.611 7.419 277 HB2 ALA 35 HB2 ALA 35 -0.792 -4.888 6.456 278 HB3 ALA 35 HB3 ALA 35 -1.537 -4.383 7.975 279 H GLU 36 HN GLU 36 -0.292 -1.076 6.790 280 HA GLU 36 HA GLU 36 -1.222 -0.161 9.222 281 HB2 GLU 36 HB2 GLU 36 1.026 0.261 8.336 282 HB3 GLU 36 HB1 GLU 36 0.341 1.342 7.133 283 HG2 GLU 36 HG2 GLU 36 -0.445 2.823 8.908 284 HG3 GLU 36 HG1 GLU 36 0.232 1.734 10.115 285 H ARG 37 HN ARG 37 -1.957 1.106 5.900 286 HA ARG 37 HA ARG 37 -3.573 3.171 6.865 287 HB2 ARG 37 HB2 ARG 37 -3.596 1.744 4.211 288 HB3 ARG 37 HB1 ARG 37 -4.418 3.250 4.569 289 HG2 ARG 37 HG2 ARG 37 -1.452 2.792 4.532 290 HG3 ARG 37 HG1 ARG 37 -2.403 3.665 3.332 291 HD2 ARG 37 HD2 ARG 37 -3.105 5.239 5.136 292 HD3 ARG 37 HD1 ARG 37 -1.960 4.440 6.209 293 HE ARG 37 HE ARG 37 -1.341 5.990 3.821 294 HH11 ARG 37 HH11 ARG 37 -0.210 4.357 6.738 295 HH12 ARG 37 HH12 ARG 37 1.242 5.160 6.897 296 HH21 ARG 37 HH21 ARG 37 0.718 7.233 4.002 297 HH22 ARG 37 HH22 ARG 37 1.775 6.902 5.286 298 H MET 38 HN MET 38 -4.155 -0.219 6.233 299 HA MET 38 HA MET 38 -7.012 0.122 6.179 300 HB2 MET 38 HB2 MET 38 -5.437 -2.458 6.288 301 HB3 MET 38 HB1 MET 38 -7.141 -2.289 5.953 302 HG2 MET 38 HG2 MET 38 -4.904 -1.259 4.253 303 HG3 MET 38 HG1 MET 38 -5.899 -2.679 3.926 304 HE1 MET 38 HE1 MET 38 -6.551 -1.865 1.519 305 HE2 MET 38 HE2 MET 38 -5.411 -0.558 1.801 306 HE3 MET 38 HE3 MET 38 -7.017 -0.201 1.153 307 H SER 39 HN SER 39 -4.900 0.266 8.608 308 HA SER 39 HA SER 39 -6.100 -1.489 10.524 309 HB2 SER 39 HB2 SER 39 -4.312 0.893 11.001 310 HB3 SER 39 HB1 SER 39 -4.637 -0.423 12.135 311 HG SER 39 HG SER 39 -3.744 -1.228 9.650 312 H SER 40 HN SER 40 -7.023 1.511 9.243 313 HA SER 40 HA SER 40 -8.442 2.455 11.541 314 HB2 SER 40 HB2 SER 40 -9.410 4.017 9.740 315 HB3 SER 40 HB1 SER 40 -7.675 4.132 10.049 316 HG SER 40 HG SER 40 -7.274 3.335 8.085 317 H PHE 41 HN PHE 41 -8.968 0.445 8.818 318 HA PHE 41 HA PHE 41 -11.850 0.177 9.279 319 HB2 PHE 41 HB2 PHE 41 -10.107 -1.163 7.219 320 HB3 PHE 41 HB1 PHE 41 -11.846 -0.978 7.118 321 HD1 PHE 41 HD1 PHE 41 -12.440 1.736 7.483 322 HD2 PHE 41 HD2 PHE 41 -8.979 0.013 5.729 323 HE1 PHE 41 HE1 PHE 41 -12.041 3.813 6.233 324 HE2 PHE 41 HE2 PHE 41 -8.570 2.069 4.486 325 HZ PHE 41 HZ PHE 41 -10.102 3.978 4.735 326 H GLU 42 HN GLU 42 -12.213 -2.445 8.626 327 HA GLU 42 HA GLU 42 -10.518 -3.973 10.477 328 HB2 GLU 42 HB2 GLU 42 -13.473 -4.400 9.965 329 HB3 GLU 42 HB1 GLU 42 -12.467 -5.293 11.090 330 HG2 GLU 42 HG2 GLU 42 -12.188 -3.333 12.467 331 HG3 GLU 42 HG1 GLU 42 -13.103 -2.366 11.313 332 H ILE 43 HN ILE 43 -9.264 -4.524 8.630 333 HA ILE 43 HA ILE 43 -10.720 -5.975 6.554 334 HB ILE 43 HB ILE 43 -7.960 -4.810 6.380 335 HG12 ILE 43 HG12 ILE 43 -9.633 -3.066 6.733 336 HG13 ILE 43 HG11 ILE 43 -8.954 -2.978 5.113 337 HG21 ILE 43 HG21 ILE 43 -8.205 -5.130 3.988 338 HG22 ILE 43 HG22 ILE 43 -9.834 -5.749 4.236 339 HG23 ILE 43 HG23 ILE 43 -8.452 -6.661 4.845 340 HD11 ILE 43 HD11 ILE 43 -11.635 -4.130 5.893 341 HD12 ILE 43 HD12 ILE 43 -10.937 -4.139 4.267 342 HD13 ILE 43 HD13 ILE 43 -11.339 -2.602 5.041 343 H GLU 44 HN GLU 44 -10.612 -7.935 6.660 344 HA GLU 44 HA GLU 44 -8.694 -9.489 8.194 345 HB2 GLU 44 HB2 GLU 44 -10.856 -10.350 6.294 346 HB3 GLU 44 HB1 GLU 44 -10.035 -11.347 7.488 347 HG2 GLU 44 HG2 GLU 44 -11.754 -8.975 8.120 348 HG3 GLU 44 HG1 GLU 44 -12.298 -10.643 8.183 349 H SER 45 HN SER 45 -7.528 -11.233 7.298 350 HA SER 45 HA SER 45 -5.748 -10.465 5.361 351 HB2 SER 45 HB2 SER 45 -6.471 -13.143 6.424 352 HB3 SER 45 HB1 SER 45 -4.999 -12.837 5.471 353 HG SER 45 HG SER 45 -4.650 -11.167 7.194 354 H ASP 46 HN ASP 46 -8.749 -12.314 4.976 355 HA ASP 46 HA ASP 46 -8.206 -13.219 2.332 356 HB2 ASP 46 HB2 ASP 46 -10.879 -12.722 3.669 357 HB3 ASP 46 HB1 ASP 46 -10.678 -13.492 2.103 358 H GLN 47 HN GLN 47 -9.775 -10.386 3.626 359 HA GLN 47 HA GLN 47 -10.541 -9.220 1.161 360 HB2 GLN 47 HB2 GLN 47 -9.898 -7.881 3.775 361 HB3 GLN 47 HB1 GLN 47 -10.812 -7.178 2.448 362 HG2 GLN 47 HG2 GLN 47 -12.519 -8.927 2.765 363 HG3 GLN 47 HG1 GLN 47 -11.606 -9.518 4.147 364 HE21 GLN 47 HE21 GLN 47 -13.563 -6.923 2.931 365 HE22 GLN 47 HE22 GLN 47 -13.841 -6.175 4.451 366 H MET 48 HN MET 48 -7.734 -8.985 3.258 367 HA MET 48 HA MET 48 -6.384 -7.056 1.793 368 HB2 MET 48 HB2 MET 48 -5.396 -9.112 3.745 369 HB3 MET 48 HB1 MET 48 -4.273 -8.068 2.894 370 HG2 MET 48 HG2 MET 48 -6.540 -6.902 4.453 371 HG3 MET 48 HG1 MET 48 -5.085 -7.436 5.273 372 HE1 MET 48 HE1 MET 48 -5.256 -5.524 1.649 373 HE2 MET 48 HE2 MET 48 -5.220 -3.878 2.270 374 HE3 MET 48 HE3 MET 48 -6.599 -4.921 2.623 375 H ASP 49 HN ASP 49 -6.267 -10.609 1.618 376 HA ASP 49 HA ASP 49 -4.203 -10.965 -0.234 377 HB2 ASP 49 HB2 ASP 49 -5.318 -12.838 0.953 378 HB3 ASP 49 HB1 ASP 49 -6.742 -12.597 -0.049 379 H GLU 50 HN GLU 50 -7.632 -10.433 -0.779 380 HA GLU 50 HA GLU 50 -7.590 -10.619 -3.561 381 HB2 GLU 50 HB2 GLU 50 -9.655 -10.559 -2.148 382 HB3 GLU 50 HB1 GLU 50 -9.385 -8.839 -1.906 383 HG2 GLU 50 HG2 GLU 50 -9.493 -8.546 -4.381 384 HG3 GLU 50 HG1 GLU 50 -9.967 -10.232 -4.501 385 H TYR 51 HN TYR 51 -6.952 -7.954 -1.370 386 HA TYR 51 HA TYR 51 -6.729 -6.033 -3.444 387 HB2 TYR 51 HB2 TYR 51 -7.238 -5.351 -1.130 388 HB3 TYR 51 HB1 TYR 51 -5.633 -5.879 -0.634 389 HD1 TYR 51 HD1 TYR 51 -4.373 -4.033 -0.107 390 HD2 TYR 51 HD2 TYR 51 -6.785 -3.921 -3.625 391 HE1 TYR 51 HE1 TYR 51 -3.394 -1.874 -0.730 392 HE2 TYR 51 HE2 TYR 51 -5.825 -1.765 -4.211 393 HH TYR 51 HH TYR 51 -3.052 -0.613 -2.791 394 H TYR 52 HN TYR 52 -4.428 -8.145 -1.780 395 HA TYR 52 HA TYR 52 -2.115 -6.983 -2.829 396 HB2 TYR 52 HB2 TYR 52 -2.647 -9.769 -1.787 397 HB3 TYR 52 HB1 TYR 52 -1.064 -9.275 -2.370 398 HD1 TYR 52 HD1 TYR 52 -2.835 -9.746 0.537 399 HD2 TYR 52 HD2 TYR 52 -0.405 -6.801 -1.349 400 HE1 TYR 52 HE1 TYR 52 -2.345 -8.746 2.741 401 HE2 TYR 52 HE2 TYR 52 0.057 -5.798 0.858 402 HH TYR 52 HH TYR 52 -0.844 -5.714 3.140 403 H GLU 53 HN GLU 53 -4.127 -9.649 -3.961 404 HA GLU 53 HA GLU 53 -2.703 -10.229 -6.279 405 HB2 GLU 53 HB2 GLU 53 -4.476 -11.595 -5.149 406 HB3 GLU 53 HB1 GLU 53 -5.663 -10.484 -5.802 407 HG2 GLU 53 HG2 GLU 53 -5.031 -11.093 -8.052 408 HG3 GLU 53 HG1 GLU 53 -3.786 -12.177 -7.425 409 H PHE 54 HN PHE 54 -5.298 -7.974 -5.592 410 HA PHE 54 HA PHE 54 -5.922 -7.089 -8.162 411 HB2 PHE 54 HB2 PHE 54 -7.379 -6.438 -6.410 412 HB3 PHE 54 HB1 PHE 54 -6.057 -5.782 -5.457 413 HD1 PHE 54 HD1 PHE 54 -5.341 -3.615 -5.704 414 HD2 PHE 54 HD2 PHE 54 -8.175 -5.196 -8.416 415 HE1 PHE 54 HE1 PHE 54 -5.722 -1.360 -6.579 416 HE2 PHE 54 HE2 PHE 54 -8.577 -2.923 -9.316 417 HZ PHE 54 HZ PHE 54 -7.302 -1.004 -8.362 418 H LEU 55 HN LEU 55 -3.628 -5.806 -5.822 419 HA LEU 55 HA LEU 55 -2.564 -3.761 -7.332 420 HB2 LEU 55 HB2 LEU 55 -1.363 -5.467 -5.186 421 HB3 LEU 55 HB1 LEU 55 -0.521 -4.090 -5.852 422 HG LEU 55 HG LEU 55 -3.202 -3.938 -4.505 423 HD11 LEU 55 HD11 LEU 55 -1.920 -2.951 -2.651 424 HD12 LEU 55 HD12 LEU 55 -0.423 -3.379 -3.496 425 HD13 LEU 55 HD13 LEU 55 -1.514 -4.641 -2.940 426 HD21 LEU 55 HD21 LEU 55 -2.728 -1.535 -4.481 427 HD22 LEU 55 HD22 LEU 55 -2.795 -2.142 -6.129 428 HD23 LEU 55 HD23 LEU 55 -1.236 -1.810 -5.374 429 H GLY 56 HN GLY 56 -1.527 -7.120 -7.019 430 HA2 GLY 56 HA2 GLY 56 0.712 -7.087 -8.660 431 HA3 GLY 56 HA1 GLY 56 -0.320 -8.495 -8.395 432 H GLU 57 HN GLU 57 -2.678 -7.599 -9.496 433 HA GLU 57 HA GLU 57 -2.313 -8.071 -12.185 434 HB2 GLU 57 HB2 GLU 57 -4.616 -7.020 -10.602 435 HB3 GLU 57 HB1 GLU 57 -4.719 -7.395 -12.317 436 HG2 GLU 57 HG2 GLU 57 -3.992 -9.317 -10.124 437 HG3 GLU 57 HG1 GLU 57 -5.540 -9.241 -10.972 438 H GLN 58 HN GLN 58 -2.651 -5.048 -10.442 439 HA GLN 58 HA GLN 58 -2.964 -3.498 -12.817 440 HB2 GLN 58 HB2 GLN 58 -2.299 -2.584 -10.013 441 HB3 GLN 58 HB1 GLN 58 -2.855 -1.555 -11.323 442 HG2 GLN 58 HG2 GLN 58 -4.405 -3.749 -9.968 443 HG3 GLN 58 HG1 GLN 58 -4.684 -2.016 -9.839 444 HE21 GLN 58 HE21 GLN 58 -6.401 -4.229 -10.744 445 HE22 GLN 58 HE22 GLN 58 -6.929 -3.802 -12.326 446 H GLY 59 HN GLY 59 -0.315 -4.107 -10.599 447 HA2 GLY 59 HA2 GLY 59 1.732 -4.604 -12.180 448 HA3 GLY 59 HA1 GLY 59 1.527 -2.899 -12.553 449 H VAL 60 HN VAL 60 1.194 -4.533 -9.441 450 HA VAL 60 HA VAL 60 3.435 -2.912 -8.420 451 HB VAL 60 HB VAL 60 0.895 -3.610 -6.969 452 HG11 VAL 60 HG11 VAL 60 1.658 -1.986 -5.305 453 HG12 VAL 60 HG12 VAL 60 3.137 -1.752 -6.235 454 HG13 VAL 60 HG13 VAL 60 2.789 -3.321 -5.515 455 HG21 VAL 60 HG21 VAL 60 0.252 -1.229 -7.166 456 HG22 VAL 60 HG22 VAL 60 0.328 -2.047 -8.728 457 HG23 VAL 60 HG23 VAL 60 1.642 -0.982 -8.227 458 H GLU 61 HN GLU 61 4.927 -4.148 -7.537 459 HA GLU 61 HA GLU 61 4.283 -6.875 -6.833 460 HB2 GLU 61 HB2 GLU 61 6.867 -5.350 -6.922 461 HB3 GLU 61 HB1 GLU 61 6.742 -7.033 -6.411 462 HG2 GLU 61 HG2 GLU 61 5.786 -7.602 -8.527 463 HG3 GLU 61 HG1 GLU 61 5.947 -5.939 -9.085 464 H LEU 62 HN LEU 62 5.270 -7.655 -4.720 465 HA LEU 62 HA LEU 62 4.616 -5.663 -2.684 466 HB2 LEU 62 HB2 LEU 62 3.807 -8.542 -2.853 467 HB3 LEU 62 HB1 LEU 62 3.563 -7.526 -1.446 468 HG LEU 62 HG LEU 62 2.320 -6.896 -4.147 469 HD11 LEU 62 HD11 LEU 62 1.122 -8.363 -1.880 470 HD12 LEU 62 HD12 LEU 62 1.600 -9.008 -3.460 471 HD13 LEU 62 HD13 LEU 62 0.323 -7.801 -3.357 472 HD21 LEU 62 HD21 LEU 62 0.898 -5.465 -2.828 473 HD22 LEU 62 HD22 LEU 62 2.586 -5.004 -2.639 474 HD23 LEU 62 HD23 LEU 62 1.775 -5.904 -1.357 475 H ILE 63 HN ILE 63 6.297 -5.295 -1.522 476 HA ILE 63 HA ILE 63 8.192 -7.450 -0.937 477 HB ILE 63 HB ILE 63 9.661 -5.616 -0.036 478 HG12 ILE 63 HG12 ILE 63 7.603 -3.833 -1.346 479 HG13 ILE 63 HG11 ILE 63 7.960 -3.929 0.369 480 HG21 ILE 63 HG21 ILE 63 8.836 -5.501 -2.888 481 HG22 ILE 63 HG22 ILE 63 10.111 -6.527 -2.184 482 HG23 ILE 63 HG23 ILE 63 10.301 -4.759 -2.254 483 HD11 ILE 63 HD11 ILE 63 10.195 -3.040 -0.043 484 HD12 ILE 63 HD12 ILE 63 8.942 -1.952 -0.636 485 HD13 ILE 63 HD13 ILE 63 9.845 -2.962 -1.770 486 H SER 64 HN SER 64 9.196 -6.967 1.454 487 HA SER 64 HA SER 64 6.933 -7.556 2.998 488 HB2 SER 64 HB2 SER 64 9.252 -8.743 3.078 489 HB3 SER 64 HB1 SER 64 9.755 -7.372 3.964 490 HG SER 64 HG SER 64 8.651 -9.442 4.991 491 H GLU 65 HN GLU 65 9.621 -5.543 3.689 492 HA GLU 65 HA GLU 65 8.788 -3.011 4.116 493 HB2 GLU 65 HB2 GLU 65 7.021 -4.017 5.591 494 HB3 GLU 65 HB1 GLU 65 8.293 -4.491 6.727 495 HG2 GLU 65 HG2 GLU 65 7.983 -1.617 5.955 496 HG3 GLU 65 HG1 GLU 65 6.798 -2.299 7.050 497 H ASN 66 HN ASN 66 10.645 -5.682 4.977 498 HA ASN 66 HA ASN 66 12.591 -4.273 6.554 499 HB2 ASN 66 HB2 ASN 66 12.454 -7.061 5.436 500 HB3 ASN 66 HB1 ASN 66 13.758 -6.484 6.474 501 HD21 ASN 66 HD21 ASN 66 10.527 -7.692 6.292 502 HD22 ASN 66 HD22 ASN 66 10.218 -7.710 7.974 503 H GLU 67 HN GLU 67 11.832 -4.740 3.426 504 HA GLU 67 HA GLU 67 14.446 -3.916 2.434 505 HB2 GLU 67 HB2 GLU 67 14.030 -5.291 0.432 506 HB3 GLU 67 HB1 GLU 67 13.832 -6.271 1.896 507 HG2 GLU 67 HG2 GLU 67 11.387 -5.057 0.889 508 HG3 GLU 67 HG1 GLU 67 12.018 -6.440 -0.040 509 H GLU 68 HN GLU 68 14.193 -2.718 0.439 510 HA GLU 68 HA GLU 68 12.108 -1.901 -0.955 511 HB2 GLU 68 HB2 GLU 68 11.391 -0.823 1.368 512 HB3 GLU 68 HB1 GLU 68 12.689 0.320 1.051 513 HG2 GLU 68 HG2 GLU 68 11.403 0.656 -1.243 514 HG3 GLU 68 HG1 GLU 68 10.077 -0.015 -0.317 515 H THR 69 HN THR 69 13.021 0.800 -1.401 516 HA THR 69 HA THR 69 15.829 0.404 -2.044 517 HB THR 69 HB THR 69 15.358 2.497 -3.407 518 HG1 THR 69 HG1 THR 69 13.561 3.429 -2.849 519 HG21 THR 69 HG21 THR 69 13.643 0.068 -3.912 520 HG22 THR 69 HG22 THR 69 15.326 0.271 -4.414 521 HG23 THR 69 HG23 THR 69 14.057 1.287 -5.120 522 H GLU 70 HN GLU 70 14.599 0.992 0.601 523 HA GLU 70 HA GLU 70 14.923 3.651 1.308 524 HB2 GLU 70 HB2 GLU 70 14.841 2.750 3.698 525 HB3 GLU 70 HB1 GLU 70 13.453 2.487 2.661 526 HG2 GLU 70 HG2 GLU 70 13.924 0.505 3.997 527 HG3 GLU 70 HG1 GLU 70 14.171 0.158 2.297 528 H ASP 71 HN ASP 71 17.344 1.355 0.893 529 HA ASP 71 HA ASP 71 19.139 2.692 2.752 530 HB2 ASP 71 HB2 ASP 71 19.109 0.225 2.412 531 HB3 ASP 71 HB1 ASP 71 19.775 0.475 0.806 532 H LEU 72 HN LEU 72 18.136 2.952 -0.295 533 HA LEU 72 HA LEU 72 20.522 4.305 -1.316 534 HB2 LEU 72 HB2 LEU 72 17.878 3.774 -2.678 535 HB3 LEU 72 HB1 LEU 72 19.290 4.478 -3.432 536 HG LEU 72 HG LEU 72 19.013 1.644 -2.437 537 HD11 LEU 72 HD11 LEU 72 19.215 1.084 -4.819 538 HD12 LEU 72 HD12 LEU 72 19.195 2.804 -5.210 539 HD13 LEU 72 HD13 LEU 72 17.783 2.047 -4.470 540 HD21 LEU 72 HD21 LEU 72 21.345 3.007 -3.789 541 HD22 LEU 72 HD22 LEU 72 21.212 1.281 -3.457 542 HD23 LEU 72 HD23 LEU 72 21.298 2.428 -2.121 543 H GLU 73 HN GLU 73 17.637 4.923 0.290 544 HA GLU 73 HA GLU 73 17.153 7.543 -0.736 545 HB2 GLU 73 HB2 GLU 73 16.090 6.090 1.690 546 HB3 GLU 73 HB1 GLU 73 15.582 7.704 1.224 547 HG2 GLU 73 HG2 GLU 73 15.254 5.228 -0.462 548 HG3 GLU 73 HG1 GLU 73 13.995 5.965 0.529 549 H HIS 74 HN HIS 74 18.212 9.293 -0.202 550 HA HIS 74 HA HIS 74 19.489 9.517 2.409 551 HB2 HIS 74 HB2 HIS 74 20.806 10.174 -0.249 552 HB3 HIS 74 HB1 HIS 74 21.451 10.634 1.316 553 HD1 HIS 74 HD1 HIS 74 21.056 7.660 -0.963 554 HD2 HIS 74 HD2 HIS 74 22.716 8.603 2.724 555 HE1 HIS 74 HE1 HIS 74 22.533 5.716 -0.346 556 H HIS 75 HN HIS 75 17.885 10.879 3.067 557 HA HIS 75 HA HIS 75 18.034 13.602 2.353 558 HB2 HIS 75 HB2 HIS 75 16.744 12.749 0.397 559 HB3 HIS 75 HB1 HIS 75 15.548 12.068 1.477 560 HD1 HIS 75 HD1 HIS 75 13.482 13.476 1.425 561 HD2 HIS 75 HD2 HIS 75 16.938 15.746 1.015 562 HE1 HIS 75 HE1 HIS 75 12.725 15.860 1.145 563 H HIS 76 HN HIS 76 16.685 14.836 3.836 564 HA HIS 76 HA HIS 76 15.803 15.351 5.816 565 HB2 HIS 76 HB2 HIS 76 14.585 12.565 5.713 566 HB3 HIS 76 HB1 HIS 76 14.239 13.743 6.970 567 HD1 HIS 76 HD1 HIS 76 12.392 12.403 4.532 568 HD2 HIS 76 HD2 HIS 76 13.607 16.325 5.139 569 HE1 HIS 76 HE1 HIS 76 10.712 13.852 3.316 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -8.800 12.817 -6.610 2 H2 ALA 1 HT2 ALA 1 -10.465 12.673 -6.513 3 H3 ALA 1 HT3 ALA 1 -9.500 11.294 -6.527 4 HA ALA 1 HA ALA 1 -10.315 11.846 -4.300 5 HB1 ALA 1 HB1 ALA 1 -8.144 11.765 -3.152 6 HB2 ALA 1 HB2 ALA 1 -7.327 12.123 -4.673 7 HB3 ALA 1 HB3 ALA 1 -8.225 10.617 -4.482 8 H ASP 2 HN ASP 2 -11.383 13.630 -3.761 9 HA ASP 2 HA ASP 2 -9.780 16.021 -3.115 10 HB2 ASP 2 HB2 ASP 2 -11.533 17.543 -3.932 11 HB3 ASP 2 HB1 ASP 2 -10.945 16.527 -5.236 12 H LYS 3 HN LYS 3 -12.574 14.035 -2.479 13 HA LYS 3 HA LYS 3 -13.444 15.678 -0.263 14 HB2 LYS 3 HB2 LYS 3 -14.461 12.965 -1.104 15 HB3 LYS 3 HB1 LYS 3 -15.314 14.188 -0.164 16 HG2 LYS 3 HG2 LYS 3 -15.286 15.687 -2.064 17 HG3 LYS 3 HG1 LYS 3 -14.470 14.484 -3.036 18 HD2 LYS 3 HD2 LYS 3 -16.477 13.004 -2.584 19 HD3 LYS 3 HD1 LYS 3 -17.253 14.459 -1.947 20 HE2 LYS 3 HE2 LYS 3 -16.236 13.970 -4.733 21 HE3 LYS 3 HE1 LYS 3 -17.882 14.325 -4.220 22 HZ1 LYS 3 HZ1 LYS 3 -17.091 16.568 -3.545 23 HZ2 LYS 3 HZ2 LYS 3 -16.947 16.256 -5.192 24 HZ3 LYS 3 HZ3 LYS 3 -15.571 16.223 -4.231 25 H GLN 4 HN GLN 4 -11.166 13.388 -0.762 26 HA GLN 4 HA GLN 4 -11.031 12.776 2.067 27 HB2 GLN 4 HB2 GLN 4 -10.313 10.429 1.562 28 HB3 GLN 4 HB1 GLN 4 -11.934 10.734 1.020 29 HG2 GLN 4 HG2 GLN 4 -9.566 10.907 -0.803 30 HG3 GLN 4 HG1 GLN 4 -10.420 9.410 -0.479 31 HE21 GLN 4 HE21 GLN 4 -13.078 10.606 -0.411 32 HE22 GLN 4 HE22 GLN 4 -13.416 11.015 -2.048 33 H THR 5 HN THR 5 -9.104 13.037 2.874 34 HA THR 5 HA THR 5 -6.750 13.202 1.135 35 HB THR 5 HB THR 5 -5.910 14.980 2.744 36 HG1 THR 5 HG1 THR 5 -8.524 14.654 3.783 37 HG21 THR 5 HG21 THR 5 -6.799 15.714 0.587 38 HG22 THR 5 HG22 THR 5 -7.253 16.864 1.846 39 HG23 THR 5 HG23 THR 5 -8.436 15.705 1.240 40 H HIS 6 HN HIS 6 -4.799 13.184 3.037 41 HA HIS 6 HA HIS 6 -5.322 10.771 4.522 42 HB2 HIS 6 HB2 HIS 6 -2.908 12.570 4.347 43 HB3 HIS 6 HB1 HIS 6 -2.959 11.159 5.402 44 HD1 HIS 6 HD1 HIS 6 -2.461 8.934 4.338 45 HD2 HIS 6 HD2 HIS 6 -2.929 11.975 1.558 46 HE1 HIS 6 HE1 HIS 6 -1.705 7.976 2.123 47 H GLU 7 HN GLU 7 -6.012 13.913 4.959 48 HA GLU 7 HA GLU 7 -5.862 13.944 7.871 49 HB2 GLU 7 HB2 GLU 7 -6.769 16.040 5.887 50 HB3 GLU 7 HB1 GLU 7 -6.656 16.282 7.621 51 HG2 GLU 7 HG2 GLU 7 -4.755 17.327 6.709 52 HG3 GLU 7 HG1 GLU 7 -4.214 15.790 7.381 53 H THR 8 HN THR 8 -7.613 12.344 5.988 54 HA THR 8 HA THR 8 -10.201 12.936 7.187 55 HB THR 8 HB THR 8 -9.769 11.893 4.366 56 HG1 THR 8 HG1 THR 8 -10.287 14.563 5.173 57 HG21 THR 8 HG21 THR 8 -11.960 11.438 5.405 58 HG22 THR 8 HG22 THR 8 -12.109 12.543 4.040 59 HG23 THR 8 HG23 THR 8 -12.175 13.167 5.684 60 H GLU 9 HN GLU 9 -11.142 10.985 7.813 61 HA GLU 9 HA GLU 9 -9.631 8.606 7.251 62 HB2 GLU 9 HB2 GLU 9 -11.409 7.379 8.577 63 HB3 GLU 9 HB1 GLU 9 -10.502 8.552 9.501 64 HG2 GLU 9 HG2 GLU 9 -13.133 9.108 8.277 65 HG3 GLU 9 HG1 GLU 9 -12.993 8.424 9.908 66 H LEU 10 HN LEU 10 -9.863 7.587 5.558 67 HA LEU 10 HA LEU 10 -11.879 8.493 3.676 68 HB2 LEU 10 HB2 LEU 10 -9.720 6.569 2.907 69 HB3 LEU 10 HB1 LEU 10 -10.475 7.837 1.982 70 HG LEU 10 HG LEU 10 -9.123 9.457 3.529 71 HD11 LEU 10 HD11 LEU 10 -8.356 7.775 5.119 72 HD12 LEU 10 HD12 LEU 10 -7.003 8.555 4.309 73 HD13 LEU 10 HD13 LEU 10 -7.523 6.935 3.819 74 HD21 LEU 10 HD21 LEU 10 -7.226 9.349 2.005 75 HD22 LEU 10 HD22 LEU 10 -8.735 9.169 1.108 76 HD23 LEU 10 HD23 LEU 10 -7.734 7.759 1.460 77 H THR 11 HN THR 11 -12.252 6.408 2.002 78 HA THR 11 HA THR 11 -13.405 4.434 3.793 79 HB THR 11 HB THR 11 -15.009 3.876 2.071 80 HG1 THR 11 HG1 THR 11 -14.623 5.114 -0.059 81 HG21 THR 11 HG21 THR 11 -15.458 6.107 3.083 82 HG22 THR 11 HG22 THR 11 -16.043 5.986 1.419 83 HG23 THR 11 HG23 THR 11 -14.541 6.838 1.757 84 H PHE 12 HN PHE 12 -13.509 2.214 2.660 85 HA PHE 12 HA PHE 12 -10.846 1.356 2.493 86 HB2 PHE 12 HB2 PHE 12 -12.636 -0.114 3.278 87 HB3 PHE 12 HB1 PHE 12 -13.370 -0.093 1.684 88 HD1 PHE 12 HD1 PHE 12 -13.009 -1.988 0.387 89 HD2 PHE 12 HD2 PHE 12 -10.054 -0.827 3.199 90 HE1 PHE 12 HE1 PHE 12 -11.663 -3.953 -0.221 91 HE2 PHE 12 HE2 PHE 12 -8.712 -2.772 2.599 92 HZ PHE 12 HZ PHE 12 -9.489 -4.348 0.921 93 H ASP 13 HN ASP 13 -13.267 2.011 0.121 94 HA ASP 13 HA ASP 13 -11.839 1.360 -2.207 95 HB2 ASP 13 HB2 ASP 13 -14.247 1.893 -2.108 96 HB3 ASP 13 HB1 ASP 13 -13.831 3.593 -1.983 97 H GLN 14 HN GLN 14 -11.918 4.249 -0.297 98 HA GLN 14 HA GLN 14 -10.623 5.766 -2.261 99 HB2 GLN 14 HB2 GLN 14 -10.698 6.411 0.682 100 HB3 GLN 14 HB1 GLN 14 -10.328 7.564 -0.572 101 HG2 GLN 14 HG2 GLN 14 -12.905 6.188 -0.007 102 HG3 GLN 14 HG1 GLN 14 -12.574 7.914 0.199 103 HE21 GLN 14 HE21 GLN 14 -11.229 7.949 -2.479 104 HE22 GLN 14 HE22 GLN 14 -12.530 7.844 -3.607 105 H VAL 15 HN VAL 15 -9.727 3.898 0.462 106 HA VAL 15 HA VAL 15 -7.023 4.784 0.557 107 HB VAL 15 HB VAL 15 -8.422 2.562 2.079 108 HG11 VAL 15 HG11 VAL 15 -6.222 2.375 3.329 109 HG12 VAL 15 HG12 VAL 15 -5.525 3.452 2.079 110 HG13 VAL 15 HG13 VAL 15 -6.110 1.867 1.637 111 HG21 VAL 15 HG21 VAL 15 -8.862 4.826 2.799 112 HG22 VAL 15 HG22 VAL 15 -7.120 5.144 2.893 113 HG23 VAL 15 HG23 VAL 15 -7.861 3.992 3.994 114 H LYS 16 HN LYS 16 -8.758 1.924 -0.778 115 HA LYS 16 HA LYS 16 -6.653 0.639 -1.695 116 HB2 LYS 16 HB2 LYS 16 -9.440 1.058 -2.571 117 HB3 LYS 16 HB1 LYS 16 -8.380 0.263 -3.695 118 HG2 LYS 16 HG2 LYS 16 -7.851 -1.359 -1.807 119 HG3 LYS 16 HG1 LYS 16 -9.147 -0.584 -0.904 120 HD2 LYS 16 HD2 LYS 16 -9.464 -1.985 -3.570 121 HD3 LYS 16 HD1 LYS 16 -9.840 -2.703 -2.007 122 HE2 LYS 16 HE2 LYS 16 -11.921 -2.026 -2.714 123 HE3 LYS 16 HE1 LYS 16 -11.413 -0.628 -1.777 124 HZ1 LYS 16 HZ1 LYS 16 -11.389 -0.925 -4.727 125 HZ2 LYS 16 HZ2 LYS 16 -10.712 0.399 -3.972 126 HZ3 LYS 16 HZ3 LYS 16 -12.360 0.131 -3.865 127 H GLU 17 HN GLU 17 -8.382 3.367 -3.238 128 HA GLU 17 HA GLU 17 -6.629 3.405 -5.420 129 HB2 GLU 17 HB2 GLU 17 -8.378 5.605 -4.373 130 HB3 GLU 17 HB1 GLU 17 -7.452 5.715 -5.863 131 HG2 GLU 17 HG2 GLU 17 -8.677 3.586 -6.559 132 HG3 GLU 17 HG1 GLU 17 -9.762 3.939 -5.216 133 H GLN 18 HN GLN 18 -6.190 4.805 -2.199 134 HA GLN 18 HA GLN 18 -4.176 6.517 -3.130 135 HB2 GLN 18 HB2 GLN 18 -3.794 7.197 -0.870 136 HB3 GLN 18 HB1 GLN 18 -5.478 6.711 -0.941 137 HG2 GLN 18 HG2 GLN 18 -5.023 4.658 0.120 138 HG3 GLN 18 HG1 GLN 18 -3.295 4.989 0.094 139 HE21 GLN 18 HE21 GLN 18 -5.584 7.511 0.784 140 HE22 GLN 18 HE22 GLN 18 -5.173 7.650 2.462 141 H LEU 19 HN LEU 19 -4.207 3.450 -1.652 142 HA LEU 19 HA LEU 19 -1.460 3.032 -1.625 143 HB2 LEU 19 HB2 LEU 19 -3.894 1.460 -1.319 144 HB3 LEU 19 HB1 LEU 19 -2.385 0.624 -1.488 145 HG LEU 19 HG LEU 19 -3.126 2.646 0.663 146 HD11 LEU 19 HD11 LEU 19 -2.691 -0.306 0.810 147 HD12 LEU 19 HD12 LEU 19 -4.241 0.530 0.920 148 HD13 LEU 19 HD13 LEU 19 -3.024 0.749 2.185 149 HD21 LEU 19 HD21 LEU 19 -0.750 2.816 0.227 150 HD22 LEU 19 HD22 LEU 19 -0.587 1.069 0.268 151 HD23 LEU 19 HD23 LEU 19 -0.990 1.947 1.743 152 H THR 20 HN THR 20 -4.005 2.116 -3.902 153 HA THR 20 HA THR 20 -2.533 0.531 -5.608 154 HB THR 20 HB THR 20 -4.848 2.399 -6.036 155 HG1 THR 20 HG1 THR 20 -4.988 0.361 -4.824 156 HG21 THR 20 HG21 THR 20 -3.729 2.298 -8.163 157 HG22 THR 20 HG22 THR 20 -5.226 1.377 -8.252 158 HG23 THR 20 HG23 THR 20 -3.669 0.530 -8.133 159 H GLU 21 HN GLU 21 -3.070 4.032 -5.703 160 HA GLU 21 HA GLU 21 -1.559 4.464 -8.030 161 HB2 GLU 21 HB2 GLU 21 -3.193 5.982 -7.241 162 HB3 GLU 21 HB1 GLU 21 -2.279 6.313 -5.771 163 HG2 GLU 21 HG2 GLU 21 -0.496 7.324 -7.089 164 HG3 GLU 21 HG1 GLU 21 -1.366 6.969 -8.579 165 H SER 22 HN SER 22 -0.802 4.495 -4.696 166 HA SER 22 HA SER 22 1.802 5.614 -4.874 167 HB2 SER 22 HB2 SER 22 0.638 3.861 -2.702 168 HB3 SER 22 HB1 SER 22 2.119 4.822 -2.549 169 HG SER 22 HG SER 22 -0.540 5.706 -2.939 170 H GLY 23 HN GLY 23 0.670 2.329 -4.793 171 HA2 GLY 23 HA2 GLY 23 3.217 1.009 -4.956 172 HA3 GLY 23 HA1 GLY 23 1.671 0.323 -5.422 173 H LYS 24 HN LYS 24 0.976 2.274 -7.352 174 HA LYS 24 HA LYS 24 2.264 1.222 -9.609 175 HB2 LYS 24 HB2 LYS 24 0.459 3.587 -9.247 176 HB3 LYS 24 HB1 LYS 24 0.962 2.947 -10.806 177 HG2 LYS 24 HG2 LYS 24 -0.332 1.228 -8.748 178 HG3 LYS 24 HG1 LYS 24 -1.336 2.198 -9.806 179 HD2 LYS 24 HD2 LYS 24 0.730 0.107 -10.708 180 HD3 LYS 24 HD1 LYS 24 -0.989 -0.194 -10.545 181 HE2 LYS 24 HE2 LYS 24 -1.520 1.353 -12.213 182 HE3 LYS 24 HE1 LYS 24 0.124 1.962 -12.294 183 HZ1 LYS 24 HZ1 LYS 24 -0.765 -0.763 -13.138 184 HZ2 LYS 24 HZ2 LYS 24 0.818 -0.189 -13.219 185 HZ3 LYS 24 HZ3 LYS 24 -0.398 0.525 -14.142 186 H LYS 25 HN LYS 25 2.833 4.143 -7.726 187 HA LYS 25 HA LYS 25 4.560 5.373 -9.576 188 HB2 LYS 25 HB2 LYS 25 4.335 5.696 -6.591 189 HB3 LYS 25 HB1 LYS 25 5.108 6.825 -7.706 190 HG2 LYS 25 HG2 LYS 25 2.937 7.285 -8.739 191 HG3 LYS 25 HG1 LYS 25 2.183 6.112 -7.669 192 HD2 LYS 25 HD2 LYS 25 1.760 8.286 -6.781 193 HD3 LYS 25 HD1 LYS 25 2.930 7.492 -5.734 194 HE2 LYS 25 HE2 LYS 25 3.602 9.774 -6.075 195 HE3 LYS 25 HE1 LYS 25 4.742 8.712 -6.887 196 HZ1 LYS 25 HZ1 LYS 25 4.134 10.623 -8.250 197 HZ2 LYS 25 HZ2 LYS 25 2.526 10.187 -8.220 198 HZ3 LYS 25 HZ3 LYS 25 3.645 9.203 -9.011 199 H ARG 26 HN ARG 26 4.916 3.247 -6.933 200 HA ARG 26 HA ARG 26 7.812 3.403 -6.889 201 HB2 ARG 26 HB2 ARG 26 5.987 1.571 -5.384 202 HB3 ARG 26 HB1 ARG 26 7.709 1.795 -5.093 203 HG2 ARG 26 HG2 ARG 26 7.317 4.085 -4.435 204 HG3 ARG 26 HG1 ARG 26 5.626 3.918 -4.852 205 HD2 ARG 26 HD2 ARG 26 5.847 3.631 -2.454 206 HD3 ARG 26 HD1 ARG 26 5.360 2.137 -3.257 207 HE ARG 26 HE ARG 26 8.143 2.138 -2.946 208 HH11 ARG 26 HH11 ARG 26 5.181 1.945 -1.048 209 HH12 ARG 26 HH12 ARG 26 5.783 0.928 0.146 210 HH21 ARG 26 HH21 ARG 26 9.030 0.594 -1.233 211 HH22 ARG 26 HH22 ARG 26 8.048 0.190 0.026 212 H GLY 27 HN GLY 27 5.390 0.981 -7.617 213 HA2 GLY 27 HA2 GLY 27 5.567 -0.718 -9.173 214 HA3 GLY 27 HA1 GLY 27 7.331 -0.717 -8.980 215 H VAL 28 HN VAL 28 5.954 -0.210 -6.028 216 HA VAL 28 HA VAL 28 5.661 -2.971 -5.244 217 HB VAL 28 HB VAL 28 8.092 -2.432 -5.619 218 HG11 VAL 28 HG11 VAL 28 7.771 -0.841 -3.131 219 HG12 VAL 28 HG12 VAL 28 8.255 -0.271 -4.736 220 HG13 VAL 28 HG13 VAL 28 9.317 -1.356 -3.819 221 HG21 VAL 28 HG21 VAL 28 7.430 -4.342 -4.469 222 HG22 VAL 28 HG22 VAL 28 7.162 -3.393 -3.003 223 HG23 VAL 28 HG23 VAL 28 8.822 -3.630 -3.617 224 H LEU 29 HN LEU 29 5.127 -3.197 -3.106 225 HA LEU 29 HA LEU 29 4.824 -0.920 -1.378 226 HB2 LEU 29 HB2 LEU 29 2.546 -2.626 -2.348 227 HB3 LEU 29 HB1 LEU 29 2.480 -1.802 -0.812 228 HG LEU 29 HG LEU 29 2.719 -0.431 -3.504 229 HD11 LEU 29 HD11 LEU 29 0.339 -0.764 -1.684 230 HD12 LEU 29 HD12 LEU 29 0.599 -1.637 -3.191 231 HD13 LEU 29 HD13 LEU 29 0.375 0.116 -3.216 232 HD21 LEU 29 HD21 LEU 29 2.140 1.566 -2.280 233 HD22 LEU 29 HD22 LEU 29 3.616 0.861 -1.606 234 HD23 LEU 29 HD23 LEU 29 2.063 0.651 -0.776 235 H THR 30 HN THR 30 5.197 -1.676 0.740 236 HA THR 30 HA THR 30 5.587 -4.483 1.131 237 HB THR 30 HB THR 30 5.910 -3.916 3.552 238 HG1 THR 30 HG1 THR 30 5.501 -1.243 2.666 239 HG21 THR 30 HG21 THR 30 7.807 -4.007 2.265 240 HG22 THR 30 HG22 THR 30 7.963 -2.512 3.199 241 HG23 THR 30 HG23 THR 30 7.510 -2.455 1.484 242 H TYR 31 HN TYR 31 4.316 -5.869 2.421 243 HA TYR 31 HA TYR 31 1.560 -5.681 2.183 244 HB2 TYR 31 HB2 TYR 31 3.113 -7.231 4.246 245 HB3 TYR 31 HB1 TYR 31 1.409 -7.463 3.888 246 HD1 TYR 31 HD1 TYR 31 4.678 -8.523 3.194 247 HD2 TYR 31 HD2 TYR 31 0.865 -8.062 1.411 248 HE1 TYR 31 HE1 TYR 31 5.293 -10.169 1.470 249 HE2 TYR 31 HE2 TYR 31 1.460 -9.700 -0.309 250 HH TYR 31 HH TYR 31 3.397 -10.637 -1.328 251 H GLU 32 HN GLU 32 3.590 -4.688 4.932 252 HA GLU 32 HA GLU 32 1.186 -4.225 6.381 253 HB2 GLU 32 HB2 GLU 32 4.027 -4.106 7.284 254 HB3 GLU 32 HB1 GLU 32 2.647 -3.747 8.326 255 HG2 GLU 32 HG2 GLU 32 1.727 -5.937 7.953 256 HG3 GLU 32 HG1 GLU 32 3.015 -6.317 6.820 257 H GLU 33 HN GLU 33 3.068 -2.198 4.427 258 HA GLU 33 HA GLU 33 2.159 0.145 5.857 259 HB2 GLU 33 HB2 GLU 33 3.027 1.458 4.026 260 HB3 GLU 33 HB1 GLU 33 4.195 0.192 4.359 261 HG2 GLU 33 HG2 GLU 33 3.284 -1.090 2.458 262 HG3 GLU 33 HG1 GLU 33 2.207 0.263 2.111 263 H ILE 34 HN ILE 34 1.144 -2.007 3.421 264 HA ILE 34 HA ILE 34 -1.118 -0.604 2.498 265 HB ILE 34 HB ILE 34 -0.456 -3.553 2.546 266 HG12 ILE 34 HG12 ILE 34 -0.432 -1.550 0.294 267 HG13 ILE 34 HG11 ILE 34 0.993 -2.112 1.162 268 HG21 ILE 34 HG21 ILE 34 -2.296 -3.866 0.921 269 HG22 ILE 34 HG22 ILE 34 -2.754 -2.183 1.125 270 HG23 ILE 34 HG23 ILE 34 -2.885 -3.297 2.480 271 HD11 ILE 34 HD11 ILE 34 0.630 -4.355 0.333 272 HD12 ILE 34 HD12 ILE 34 0.696 -3.190 -0.998 273 HD13 ILE 34 HD13 ILE 34 -0.852 -3.824 -0.461 274 H ALA 35 HN ALA 35 -0.459 -2.895 5.162 275 HA ALA 35 HA ALA 35 -3.082 -3.255 5.905 276 HB1 ALA 35 HB1 ALA 35 -2.136 -4.347 7.871 277 HB2 ALA 35 HB2 ALA 35 -0.547 -3.705 7.473 278 HB3 ALA 35 HB3 ALA 35 -1.319 -4.877 6.399 279 H GLU 36 HN GLU 36 -0.597 -0.902 6.524 280 HA GLU 36 HA GLU 36 -1.317 0.059 9.041 281 HB2 GLU 36 HB2 GLU 36 0.849 0.395 7.747 282 HB3 GLU 36 HB1 GLU 36 0.012 1.583 6.783 283 HG2 GLU 36 HG2 GLU 36 0.514 1.770 9.765 284 HG3 GLU 36 HG1 GLU 36 1.462 2.564 8.519 285 H ARG 37 HN ARG 37 -2.078 1.287 5.722 286 HA ARG 37 HA ARG 37 -3.771 3.331 6.613 287 HB2 ARG 37 HB2 ARG 37 -3.930 1.817 4.017 288 HB3 ARG 37 HB1 ARG 37 -4.489 3.446 4.342 289 HG2 ARG 37 HG2 ARG 37 -1.624 2.545 4.271 290 HG3 ARG 37 HG1 ARG 37 -2.469 3.415 2.997 291 HD2 ARG 37 HD2 ARG 37 -2.848 5.260 4.598 292 HD3 ARG 37 HD1 ARG 37 -1.811 4.424 5.767 293 HE ARG 37 HE ARG 37 -1.025 5.469 3.141 294 HH11 ARG 37 HH11 ARG 37 0.015 4.453 6.429 295 HH12 ARG 37 HH12 ARG 37 1.642 4.855 6.128 296 HH21 ARG 37 HH21 ARG 37 1.141 6.011 2.833 297 HH22 ARG 37 HH22 ARG 37 2.327 5.774 4.012 298 H MET 38 HN MET 38 -4.152 -0.045 5.914 299 HA MET 38 HA MET 38 -7.004 0.069 5.949 300 HB2 MET 38 HB2 MET 38 -5.174 -2.330 5.899 301 HB3 MET 38 HB1 MET 38 -6.918 -2.378 5.733 302 HG2 MET 38 HG2 MET 38 -4.988 -1.049 3.870 303 HG3 MET 38 HG1 MET 38 -5.861 -2.554 3.583 304 HE1 MET 38 HE1 MET 38 -7.558 -0.159 1.033 305 HE2 MET 38 HE2 MET 38 -6.915 -1.775 1.285 306 HE3 MET 38 HE3 MET 38 -5.852 -0.379 1.436 307 H SER 39 HN SER 39 -4.828 0.307 8.354 308 HA SER 39 HA SER 39 -6.000 -1.459 10.267 309 HB2 SER 39 HB2 SER 39 -4.240 0.956 10.697 310 HB3 SER 39 HB1 SER 39 -4.635 -0.265 11.907 311 HG SER 39 HG SER 39 -3.598 -1.303 9.561 312 H SER 40 HN SER 40 -6.787 1.583 8.974 313 HA SER 40 HA SER 40 -8.306 2.631 11.118 314 HB2 SER 40 HB2 SER 40 -7.519 3.937 9.101 315 HB3 SER 40 HB1 SER 40 -8.675 3.037 8.135 316 HG SER 40 HG SER 40 -9.194 4.845 10.234 317 H PHE 41 HN PHE 41 -8.874 0.359 8.538 318 HA PHE 41 HA PHE 41 -11.718 0.074 9.168 319 HB2 PHE 41 HB2 PHE 41 -10.037 -1.257 7.088 320 HB3 PHE 41 HB1 PHE 41 -11.786 -1.228 7.076 321 HD1 PHE 41 HD1 PHE 41 -12.752 1.281 7.136 322 HD2 PHE 41 HD2 PHE 41 -8.905 0.117 5.802 323 HE1 PHE 41 HE1 PHE 41 -12.566 3.364 5.852 324 HE2 PHE 41 HE2 PHE 41 -8.699 2.183 4.520 325 HZ PHE 41 HZ PHE 41 -10.529 3.816 4.545 326 H GLU 42 HN GLU 42 -8.691 -1.359 9.715 327 HA GLU 42 HA GLU 42 -7.882 -3.264 10.472 328 HB2 GLU 42 HB2 GLU 42 -10.542 -3.480 11.899 329 HB3 GLU 42 HB1 GLU 42 -9.101 -4.412 12.290 330 HG2 GLU 42 HG2 GLU 42 -7.930 -2.205 12.678 331 HG3 GLU 42 HG1 GLU 42 -9.512 -1.451 12.554 332 H ILE 43 HN ILE 43 -8.091 -3.707 8.246 333 HA ILE 43 HA ILE 43 -10.108 -5.455 7.233 334 HB ILE 43 HB ILE 43 -7.458 -4.557 6.081 335 HG12 ILE 43 HG12 ILE 43 -9.115 -2.803 6.436 336 HG13 ILE 43 HG11 ILE 43 -8.769 -3.055 4.729 337 HG21 ILE 43 HG21 ILE 43 -8.190 -5.369 3.943 338 HG22 ILE 43 HG22 ILE 43 -9.699 -5.910 4.674 339 HG23 ILE 43 HG23 ILE 43 -8.185 -6.705 5.113 340 HD11 ILE 43 HD11 ILE 43 -10.799 -4.392 4.542 341 HD12 ILE 43 HD12 ILE 43 -11.124 -2.728 5.023 342 HD13 ILE 43 HD13 ILE 43 -11.208 -4.028 6.223 343 H GLU 44 HN GLU 44 -10.131 -7.496 6.912 344 HA GLU 44 HA GLU 44 -8.501 -9.297 8.353 345 HB2 GLU 44 HB2 GLU 44 -10.591 -9.682 6.222 346 HB3 GLU 44 HB1 GLU 44 -9.854 -10.988 7.135 347 HG2 GLU 44 HG2 GLU 44 -11.344 -8.714 8.372 348 HG3 GLU 44 HG1 GLU 44 -12.074 -10.263 7.959 349 H SER 45 HN SER 45 -7.231 -10.988 7.461 350 HA SER 45 HA SER 45 -5.391 -10.283 5.497 351 HB2 SER 45 HB2 SER 45 -4.951 -11.968 7.268 352 HB3 SER 45 HB1 SER 45 -6.095 -13.068 6.507 353 HG SER 45 HG SER 45 -3.495 -12.521 5.889 354 H ASP 46 HN ASP 46 -8.455 -11.978 5.278 355 HA ASP 46 HA ASP 46 -8.389 -13.151 2.757 356 HB2 ASP 46 HB2 ASP 46 -10.746 -11.726 4.020 357 HB3 ASP 46 HB1 ASP 46 -10.806 -13.016 2.826 358 H GLN 47 HN GLN 47 -9.673 -9.980 3.693 359 HA GLN 47 HA GLN 47 -10.183 -9.083 1.049 360 HB2 GLN 47 HB2 GLN 47 -9.624 -7.333 3.393 361 HB3 GLN 47 HB1 GLN 47 -10.567 -6.921 1.983 362 HG2 GLN 47 HG2 GLN 47 -12.193 -8.741 2.818 363 HG3 GLN 47 HG1 GLN 47 -11.267 -8.661 4.316 364 HE21 GLN 47 HE21 GLN 47 -11.954 -5.910 2.230 365 HE22 GLN 47 HE22 GLN 47 -12.929 -5.069 3.372 366 H MET 48 HN MET 48 -7.458 -8.836 3.232 367 HA MET 48 HA MET 48 -6.120 -6.922 1.768 368 HB2 MET 48 HB2 MET 48 -5.133 -8.910 3.770 369 HB3 MET 48 HB1 MET 48 -3.973 -7.950 2.879 370 HG2 MET 48 HG2 MET 48 -6.205 -6.719 4.473 371 HG3 MET 48 HG1 MET 48 -4.653 -7.143 5.180 372 HE1 MET 48 HE1 MET 48 -6.530 -4.831 2.567 373 HE2 MET 48 HE2 MET 48 -5.212 -5.348 1.471 374 HE3 MET 48 HE3 MET 48 -5.258 -3.722 2.077 375 H ASP 49 HN ASP 49 -5.888 -10.440 1.751 376 HA ASP 49 HA ASP 49 -3.958 -10.850 -0.255 377 HB2 ASP 49 HB2 ASP 49 -4.803 -12.643 1.164 378 HB3 ASP 49 HB1 ASP 49 -6.401 -12.467 0.463 379 H GLU 50 HN GLU 50 -7.416 -10.527 -0.439 380 HA GLU 50 HA GLU 50 -7.859 -10.835 -3.115 381 HB2 GLU 50 HB2 GLU 50 -9.600 -10.647 -1.435 382 HB3 GLU 50 HB1 GLU 50 -9.157 -8.969 -1.144 383 HG2 GLU 50 HG2 GLU 50 -9.843 -8.435 -3.446 384 HG3 GLU 50 HG1 GLU 50 -10.411 -10.091 -3.629 385 H TYR 51 HN TYR 51 -7.051 -7.925 -1.289 386 HA TYR 51 HA TYR 51 -6.988 -6.152 -3.497 387 HB2 TYR 51 HB2 TYR 51 -7.384 -5.398 -1.180 388 HB3 TYR 51 HB1 TYR 51 -5.748 -5.870 -0.762 389 HD1 TYR 51 HD1 TYR 51 -4.606 -3.944 -0.234 390 HD2 TYR 51 HD2 TYR 51 -7.007 -3.964 -3.773 391 HE1 TYR 51 HE1 TYR 51 -3.739 -1.728 -0.857 392 HE2 TYR 51 HE2 TYR 51 -6.154 -1.769 -4.350 393 HH TYR 51 HH TYR 51 -3.462 -0.444 -2.841 394 H TYR 52 HN TYR 52 -4.580 -8.184 -1.910 395 HA TYR 52 HA TYR 52 -2.327 -7.022 -3.084 396 HB2 TYR 52 HB2 TYR 52 -2.705 -9.851 -2.084 397 HB3 TYR 52 HB1 TYR 52 -1.159 -9.198 -2.605 398 HD1 TYR 52 HD1 TYR 52 -2.126 -10.333 0.192 399 HD2 TYR 52 HD2 TYR 52 -1.570 -6.395 -1.344 400 HE1 TYR 52 HE1 TYR 52 -1.788 -9.476 2.470 401 HE2 TYR 52 HE2 TYR 52 -1.228 -5.565 0.907 402 HH TYR 52 HH TYR 52 -1.817 -6.197 3.232 403 H GLU 53 HN GLU 53 -4.361 -9.742 -4.119 404 HA GLU 53 HA GLU 53 -2.999 -10.327 -6.479 405 HB2 GLU 53 HB2 GLU 53 -4.795 -11.694 -5.362 406 HB3 GLU 53 HB1 GLU 53 -5.974 -10.543 -5.955 407 HG2 GLU 53 HG2 GLU 53 -5.930 -12.492 -7.366 408 HG3 GLU 53 HG1 GLU 53 -5.325 -11.094 -8.258 409 H PHE 54 HN PHE 54 -5.563 -8.030 -5.740 410 HA PHE 54 HA PHE 54 -6.071 -7.081 -8.311 411 HB2 PHE 54 HB2 PHE 54 -7.590 -6.467 -6.582 412 HB3 PHE 54 HB1 PHE 54 -6.300 -5.820 -5.586 413 HD1 PHE 54 HD1 PHE 54 -8.233 -5.235 -8.672 414 HD2 PHE 54 HD2 PHE 54 -5.632 -3.647 -5.743 415 HE1 PHE 54 HE1 PHE 54 -8.575 -2.969 -9.597 416 HE2 PHE 54 HE2 PHE 54 -5.955 -1.391 -6.639 417 HZ PHE 54 HZ PHE 54 -7.391 -1.043 -8.542 418 H LEU 55 HN LEU 55 -3.869 -5.842 -5.839 419 HA LEU 55 HA LEU 55 -2.727 -3.782 -7.307 420 HB2 LEU 55 HB2 LEU 55 -1.641 -5.422 -5.057 421 HB3 LEU 55 HB1 LEU 55 -0.749 -4.082 -5.739 422 HG LEU 55 HG LEU 55 -3.482 -3.859 -4.475 423 HD11 LEU 55 HD11 LEU 55 -1.741 -4.450 -2.860 424 HD12 LEU 55 HD12 LEU 55 -2.299 -2.795 -2.643 425 HD13 LEU 55 HD13 LEU 55 -0.758 -3.108 -3.443 426 HD21 LEU 55 HD21 LEU 55 -3.026 -1.449 -4.565 427 HD22 LEU 55 HD22 LEU 55 -3.074 -2.145 -6.177 428 HD23 LEU 55 HD23 LEU 55 -1.523 -1.766 -5.428 429 H GLY 56 HN GLY 56 -1.731 -7.142 -6.994 430 HA2 GLY 56 HA2 GLY 56 0.599 -7.060 -8.501 431 HA3 GLY 56 HA1 GLY 56 -0.446 -8.470 -8.312 432 H GLU 57 HN GLU 57 -2.759 -7.580 -9.568 433 HA GLU 57 HA GLU 57 -2.107 -7.886 -12.230 434 HB2 GLU 57 HB2 GLU 57 -4.603 -6.980 -10.883 435 HB3 GLU 57 HB1 GLU 57 -4.499 -7.331 -12.603 436 HG2 GLU 57 HG2 GLU 57 -3.734 -9.657 -11.929 437 HG3 GLU 57 HG1 GLU 57 -4.192 -9.227 -10.283 438 H GLN 58 HN GLN 58 -2.603 -4.968 -10.344 439 HA GLN 58 HA GLN 58 -2.747 -3.160 -12.580 440 HB2 GLN 58 HB2 GLN 58 -1.846 -2.559 -9.744 441 HB3 GLN 58 HB1 GLN 58 -2.409 -1.399 -10.937 442 HG2 GLN 58 HG2 GLN 58 -4.108 -3.552 -9.726 443 HG3 GLN 58 HG1 GLN 58 -4.039 -1.883 -9.168 444 HE21 GLN 58 HE21 GLN 58 -5.153 -4.038 -11.648 445 HE22 GLN 58 HE22 GLN 58 -6.198 -2.893 -12.400 446 H GLY 59 HN GLY 59 -0.189 -4.051 -10.306 447 HA2 GLY 59 HA2 GLY 59 1.912 -4.630 -11.684 448 HA3 GLY 59 HA1 GLY 59 1.783 -2.954 -12.194 449 H VAL 60 HN VAL 60 1.566 -4.734 -9.114 450 HA VAL 60 HA VAL 60 3.552 -2.965 -7.931 451 HB VAL 60 HB VAL 60 0.941 -3.621 -6.564 452 HG11 VAL 60 HG11 VAL 60 3.181 -1.772 -5.825 453 HG12 VAL 60 HG12 VAL 60 2.816 -3.334 -5.116 454 HG13 VAL 60 HG13 VAL 60 1.686 -1.983 -4.910 455 HG21 VAL 60 HG21 VAL 60 1.728 -0.989 -7.816 456 HG22 VAL 60 HG22 VAL 60 0.305 -1.244 -6.803 457 HG23 VAL 60 HG23 VAL 60 0.431 -2.045 -8.374 458 H GLU 61 HN GLU 61 4.903 -4.218 -6.937 459 HA GLU 61 HA GLU 61 4.119 -6.951 -6.379 460 HB2 GLU 61 HB2 GLU 61 6.749 -5.522 -6.466 461 HB3 GLU 61 HB1 GLU 61 6.576 -7.238 -6.121 462 HG2 GLU 61 HG2 GLU 61 5.214 -6.071 -8.302 463 HG3 GLU 61 HG1 GLU 61 6.912 -6.338 -8.697 464 H LEU 62 HN LEU 62 3.762 -7.555 -4.462 465 HA LEU 62 HA LEU 62 4.049 -5.599 -2.358 466 HB2 LEU 62 HB2 LEU 62 2.687 -8.278 -2.227 467 HB3 LEU 62 HB1 LEU 62 2.624 -7.024 -1.011 468 HG LEU 62 HG LEU 62 0.622 -6.752 -1.985 469 HD11 LEU 62 HD11 LEU 62 1.649 -4.655 -2.041 470 HD12 LEU 62 HD12 LEU 62 0.534 -4.825 -3.394 471 HD13 LEU 62 HD13 LEU 62 2.275 -4.947 -3.665 472 HD21 LEU 62 HD21 LEU 62 0.079 -6.963 -4.351 473 HD22 LEU 62 HD22 LEU 62 0.711 -8.432 -3.633 474 HD23 LEU 62 HD23 LEU 62 1.752 -7.449 -4.686 475 H ILE 63 HN ILE 63 5.967 -5.539 -1.525 476 HA ILE 63 HA ILE 63 7.457 -7.979 -1.021 477 HB ILE 63 HB ILE 63 9.255 -6.494 -0.146 478 HG12 ILE 63 HG12 ILE 63 7.467 -4.320 -1.169 479 HG13 ILE 63 HG11 ILE 63 7.772 -4.660 0.518 480 HG21 ILE 63 HG21 ILE 63 8.276 -5.838 -2.881 481 HG22 ILE 63 HG22 ILE 63 9.246 -7.274 -2.438 482 HG23 ILE 63 HG23 ILE 63 9.932 -5.646 -2.289 483 HD11 ILE 63 HD11 ILE 63 10.124 -4.104 0.229 484 HD12 ILE 63 HD12 ILE 63 9.100 -2.761 -0.288 485 HD13 ILE 63 HD13 ILE 63 9.851 -3.813 -1.485 486 H SER 64 HN SER 64 8.599 -8.179 1.024 487 HA SER 64 HA SER 64 6.584 -8.168 3.153 488 HB2 SER 64 HB2 SER 64 7.967 -10.055 2.128 489 HB3 SER 64 HB1 SER 64 9.194 -9.546 3.268 490 HG SER 64 HG SER 64 7.599 -11.207 3.960 491 H GLU 65 HN GLU 65 8.568 -5.915 2.405 492 HA GLU 65 HA GLU 65 9.384 -4.103 3.529 493 HB2 GLU 65 HB2 GLU 65 7.554 -4.661 5.209 494 HB3 GLU 65 HB1 GLU 65 8.787 -5.494 6.142 495 HG2 GLU 65 HG2 GLU 65 10.055 -3.315 6.182 496 HG3 GLU 65 HG1 GLU 65 8.595 -2.594 5.491 497 H ASN 66 HN ASN 66 10.514 -7.223 4.586 498 HA ASN 66 HA ASN 66 12.962 -6.229 5.735 499 HB2 ASN 66 HB2 ASN 66 11.947 -8.408 6.403 500 HB3 ASN 66 HB1 ASN 66 12.327 -9.041 4.810 501 HD21 ASN 66 HD21 ASN 66 13.746 -10.622 5.491 502 HD22 ASN 66 HD22 ASN 66 15.246 -10.268 6.258 503 H GLU 67 HN GLU 67 11.935 -7.055 2.712 504 HA GLU 67 HA GLU 67 14.626 -7.396 1.619 505 HB2 GLU 67 HB2 GLU 67 13.494 -8.309 -0.304 506 HB3 GLU 67 HB1 GLU 67 12.819 -8.975 1.213 507 HG2 GLU 67 HG2 GLU 67 10.987 -7.301 0.969 508 HG3 GLU 67 HG1 GLU 67 11.710 -6.906 -0.604 509 H GLU 68 HN GLU 68 14.454 -6.587 -0.836 510 HA GLU 68 HA GLU 68 14.375 -5.119 -2.348 511 HB2 GLU 68 HB2 GLU 68 11.985 -4.777 -1.739 512 HB3 GLU 68 HB1 GLU 68 12.464 -3.449 -0.697 513 HG2 GLU 68 HG2 GLU 68 11.560 -2.732 -2.889 514 HG3 GLU 68 HG1 GLU 68 13.200 -2.166 -2.593 515 H THR 69 HN THR 69 15.022 -2.626 -2.774 516 HA THR 69 HA THR 69 17.412 -2.311 -1.173 517 HB THR 69 HB THR 69 17.968 -0.594 -2.944 518 HG1 THR 69 HG1 THR 69 16.222 -1.521 -4.762 519 HG21 THR 69 HG21 THR 69 18.419 -2.268 -4.668 520 HG22 THR 69 HG22 THR 69 17.280 -3.376 -3.903 521 HG23 THR 69 HG23 THR 69 18.770 -2.925 -3.069 522 H GLU 70 HN GLU 70 14.447 -1.303 -0.787 523 HA GLU 70 HA GLU 70 14.868 1.476 -0.474 524 HB2 GLU 70 HB2 GLU 70 12.537 1.482 0.418 525 HB3 GLU 70 HB1 GLU 70 12.748 0.854 -1.215 526 HG2 GLU 70 HG2 GLU 70 12.705 -1.401 -0.354 527 HG3 GLU 70 HG1 GLU 70 12.439 -0.787 1.276 528 H ASP 71 HN ASP 71 16.006 -0.822 1.339 529 HA ASP 71 HA ASP 71 15.373 0.019 3.968 530 HB2 ASP 71 HB2 ASP 71 16.397 -2.146 3.409 531 HB3 ASP 71 HB1 ASP 71 17.862 -1.306 2.935 532 H LEU 72 HN LEU 72 17.343 1.018 1.579 533 HA LEU 72 HA LEU 72 18.927 2.917 3.166 534 HB2 LEU 72 HB2 LEU 72 18.906 2.440 0.190 535 HB3 LEU 72 HB1 LEU 72 20.054 3.436 1.062 536 HG LEU 72 HG LEU 72 19.777 0.445 1.336 537 HD11 LEU 72 HD11 LEU 72 20.693 1.096 -0.819 538 HD12 LEU 72 HD12 LEU 72 21.930 0.357 0.194 539 HD13 LEU 72 HD13 LEU 72 21.892 2.111 -0.014 540 HD21 LEU 72 HD21 LEU 72 20.526 1.498 3.403 541 HD22 LEU 72 HD22 LEU 72 21.780 2.367 2.522 542 HD23 LEU 72 HD23 LEU 72 21.846 0.607 2.645 543 H GLU 73 HN GLU 73 15.884 2.925 2.121 544 HA GLU 73 HA GLU 73 15.878 5.763 1.417 545 HB2 GLU 73 HB2 GLU 73 14.289 3.536 0.158 546 HB3 GLU 73 HB1 GLU 73 13.978 5.242 -0.094 547 HG2 GLU 73 HG2 GLU 73 16.189 5.517 -1.059 548 HG3 GLU 73 HG1 GLU 73 16.528 3.811 -0.788 549 H HIS 74 HN HIS 74 13.373 6.399 1.446 550 HA HIS 74 HA HIS 74 12.036 5.201 3.748 551 HB2 HIS 74 HB2 HIS 74 12.581 8.168 3.391 552 HB3 HIS 74 HB1 HIS 74 11.366 7.533 4.487 553 HD1 HIS 74 HD1 HIS 74 14.516 8.997 4.721 554 HD2 HIS 74 HD2 HIS 74 12.898 5.494 6.288 555 HE1 HIS 74 HE1 HIS 74 15.885 8.437 6.740 556 H HIS 75 HN HIS 75 9.966 4.851 3.273 557 HA HIS 75 HA HIS 75 8.629 6.706 1.469 558 HB2 HIS 75 HB2 HIS 75 9.056 4.538 0.220 559 HB3 HIS 75 HB1 HIS 75 8.156 3.693 1.468 560 HD1 HIS 75 HD1 HIS 75 5.563 3.714 1.258 561 HD2 HIS 75 HD2 HIS 75 7.474 6.251 -1.434 562 HE1 HIS 75 HE1 HIS 75 3.791 4.541 -0.310 563 H HIS 76 HN HIS 76 7.031 7.597 2.522 564 HA HIS 76 HA HIS 76 6.145 6.292 4.964 565 HB2 HIS 76 HB2 HIS 76 5.968 9.195 4.118 566 HB3 HIS 76 HB1 HIS 76 5.324 8.541 5.619 567 HD1 HIS 76 HD1 HIS 76 6.895 8.715 7.589 568 HD2 HIS 76 HD2 HIS 76 8.896 8.795 3.949 569 HE1 HIS 76 HE1 HIS 76 9.318 9.114 8.119 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -11.532 7.602 -8.891 2 H2 ALA 1 HT2 ALA 1 -12.482 7.004 -7.636 3 H3 ALA 1 HT3 ALA 1 -10.969 6.318 -7.924 4 HA ALA 1 HA ALA 1 -10.899 7.637 -6.002 5 HB1 ALA 1 HB1 ALA 1 -8.908 7.564 -7.438 6 HB2 ALA 1 HB2 ALA 1 -9.052 9.100 -6.587 7 HB3 ALA 1 HB3 ALA 1 -9.482 8.996 -8.295 8 H ASP 2 HN ASP 2 -11.604 9.315 -4.875 9 HA ASP 2 HA ASP 2 -13.312 11.263 -6.263 10 HB2 ASP 2 HB2 ASP 2 -14.285 9.662 -4.513 11 HB3 ASP 2 HB1 ASP 2 -13.270 10.458 -3.324 12 H LYS 3 HN LYS 3 -13.243 13.023 -3.876 13 HA LYS 3 HA LYS 3 -10.754 14.395 -4.495 14 HB2 LYS 3 HB2 LYS 3 -11.739 16.261 -3.246 15 HB3 LYS 3 HB1 LYS 3 -12.887 15.635 -4.421 16 HG2 LYS 3 HG2 LYS 3 -13.916 14.312 -2.545 17 HG3 LYS 3 HG1 LYS 3 -12.888 15.214 -1.439 18 HD2 LYS 3 HD2 LYS 3 -15.080 16.236 -1.505 19 HD3 LYS 3 HD1 LYS 3 -13.920 17.318 -2.275 20 HE2 LYS 3 HE2 LYS 3 -14.663 16.643 -4.469 21 HE3 LYS 3 HE1 LYS 3 -15.676 15.385 -3.758 22 HZ1 LYS 3 HZ1 LYS 3 -17.047 17.047 -2.786 23 HZ2 LYS 3 HZ2 LYS 3 -16.941 17.347 -4.435 24 HZ3 LYS 3 HZ3 LYS 3 -16.069 18.297 -3.339 25 H GLN 4 HN GLN 4 -11.442 11.976 -2.599 26 HA GLN 4 HA GLN 4 -10.240 12.840 -0.114 27 HB2 GLN 4 HB2 GLN 4 -11.307 10.193 -1.030 28 HB3 GLN 4 HB1 GLN 4 -10.634 10.463 0.575 29 HG2 GLN 4 HG2 GLN 4 -12.399 12.086 1.025 30 HG3 GLN 4 HG1 GLN 4 -13.033 11.835 -0.602 31 HE21 GLN 4 HE21 GLN 4 -14.973 11.142 0.162 32 HE22 GLN 4 HE22 GLN 4 -15.226 9.599 0.896 33 H THR 5 HN THR 5 -8.736 12.498 -2.823 34 HA THR 5 HA THR 5 -6.779 10.544 -2.037 35 HB THR 5 HB THR 5 -5.716 11.374 -4.242 36 HG1 THR 5 HG1 THR 5 -7.557 12.254 -5.536 37 HG21 THR 5 HG21 THR 5 -8.473 10.158 -4.202 38 HG22 THR 5 HG22 THR 5 -6.965 9.270 -3.976 39 HG23 THR 5 HG23 THR 5 -7.322 10.022 -5.536 40 H HIS 6 HN HIS 6 -7.365 13.230 -0.797 41 HA HIS 6 HA HIS 6 -4.643 14.316 -0.652 42 HB2 HIS 6 HB2 HIS 6 -7.274 15.511 0.292 43 HB3 HIS 6 HB1 HIS 6 -5.704 16.294 0.387 44 HD1 HIS 6 HD1 HIS 6 -8.656 16.007 -1.794 45 HD2 HIS 6 HD2 HIS 6 -4.611 16.897 -2.256 46 HE1 HIS 6 HE1 HIS 6 -8.457 17.195 -3.969 47 H GLU 7 HN GLU 7 -4.516 15.272 1.866 48 HA GLU 7 HA GLU 7 -4.770 12.878 3.442 49 HB2 GLU 7 HB2 GLU 7 -3.817 15.612 4.324 50 HB3 GLU 7 HB1 GLU 7 -3.748 14.161 5.291 51 HG2 GLU 7 HG2 GLU 7 -1.558 14.578 4.470 52 HG3 GLU 7 HG1 GLU 7 -2.190 13.188 3.590 53 H THR 8 HN THR 8 -6.879 12.511 3.629 54 HA THR 8 HA THR 8 -8.381 14.114 5.474 55 HB THR 8 HB THR 8 -9.333 13.294 2.694 56 HG1 THR 8 HG1 THR 8 -8.005 15.411 3.513 57 HG21 THR 8 HG21 THR 8 -10.762 14.907 4.830 58 HG22 THR 8 HG22 THR 8 -11.141 13.242 4.383 59 HG23 THR 8 HG23 THR 8 -11.390 14.542 3.223 60 H GLU 9 HN GLU 9 -9.956 12.656 6.424 61 HA GLU 9 HA GLU 9 -9.284 9.927 6.527 62 HB2 GLU 9 HB2 GLU 9 -11.918 11.252 7.199 63 HB3 GLU 9 HB1 GLU 9 -11.446 9.634 7.695 64 HG2 GLU 9 HG2 GLU 9 -10.032 12.171 8.491 65 HG3 GLU 9 HG1 GLU 9 -11.183 11.288 9.492 66 H LEU 10 HN LEU 10 -9.587 8.402 5.136 67 HA LEU 10 HA LEU 10 -11.297 8.993 2.839 68 HB2 LEU 10 HB2 LEU 10 -9.372 6.778 2.631 69 HB3 LEU 10 HB1 LEU 10 -9.892 7.986 1.485 70 HG LEU 10 HG LEU 10 -8.348 9.613 2.787 71 HD11 LEU 10 HD11 LEU 10 -7.271 6.978 3.744 72 HD12 LEU 10 HD12 LEU 10 -7.946 8.264 4.748 73 HD13 LEU 10 HD13 LEU 10 -6.436 8.526 3.872 74 HD21 LEU 10 HD21 LEU 10 -7.167 7.329 1.201 75 HD22 LEU 10 HD22 LEU 10 -6.399 8.890 1.496 76 HD23 LEU 10 HD23 LEU 10 -7.874 8.802 0.536 77 H THR 11 HN THR 11 -11.905 6.856 1.686 78 HA THR 11 HA THR 11 -13.171 5.098 3.639 79 HB THR 11 HB THR 11 -14.624 4.427 1.735 80 HG1 THR 11 HG1 THR 11 -14.252 6.055 -0.130 81 HG21 THR 11 HG21 THR 11 -15.278 6.378 3.067 82 HG22 THR 11 HG22 THR 11 -15.738 6.572 1.366 83 HG23 THR 11 HG23 THR 11 -14.304 7.394 1.999 84 H PHE 12 HN PHE 12 -13.454 2.813 2.633 85 HA PHE 12 HA PHE 12 -10.887 1.695 2.592 86 HB2 PHE 12 HB2 PHE 12 -12.686 0.341 3.413 87 HB3 PHE 12 HB1 PHE 12 -13.590 0.510 1.916 88 HD1 PHE 12 HD1 PHE 12 -10.261 -0.758 3.076 89 HD2 PHE 12 HD2 PHE 12 -13.585 -1.248 0.471 90 HE1 PHE 12 HE1 PHE 12 -9.292 -2.786 2.216 91 HE2 PHE 12 HE2 PHE 12 -12.588 -3.338 -0.378 92 HZ PHE 12 HZ PHE 12 -10.389 -4.089 0.542 93 H ASP 13 HN ASP 13 -13.171 2.367 0.126 94 HA ASP 13 HA ASP 13 -11.614 1.475 -2.021 95 HB2 ASP 13 HB2 ASP 13 -13.958 3.314 -1.941 96 HB3 ASP 13 HB1 ASP 13 -13.045 3.121 -3.434 97 H GLN 14 HN GLN 14 -11.584 4.424 -0.364 98 HA GLN 14 HA GLN 14 -10.000 5.705 -2.408 99 HB2 GLN 14 HB2 GLN 14 -10.612 6.628 0.378 100 HB3 GLN 14 HB1 GLN 14 -9.689 7.567 -0.808 101 HG2 GLN 14 HG2 GLN 14 -12.563 6.732 -0.973 102 HG3 GLN 14 HG1 GLN 14 -11.940 8.368 -0.773 103 HE21 GLN 14 HE21 GLN 14 -12.500 5.784 -2.884 104 HE22 GLN 14 HE22 GLN 14 -12.019 6.503 -4.361 105 H VAL 15 HN VAL 15 -9.457 4.015 0.523 106 HA VAL 15 HA VAL 15 -6.721 4.750 0.648 107 HB VAL 15 HB VAL 15 -8.328 2.715 2.209 108 HG11 VAL 15 HG11 VAL 15 -5.363 3.334 2.310 109 HG12 VAL 15 HG12 VAL 15 -6.045 1.797 1.801 110 HG13 VAL 15 HG13 VAL 15 -6.195 2.315 3.494 111 HG21 VAL 15 HG21 VAL 15 -7.652 4.178 4.062 112 HG22 VAL 15 HG22 VAL 15 -8.531 5.036 2.790 113 HG23 VAL 15 HG23 VAL 15 -6.765 5.167 2.898 114 H LYS 16 HN LYS 16 -8.543 1.923 -0.579 115 HA LYS 16 HA LYS 16 -6.472 0.506 -1.504 116 HB2 LYS 16 HB2 LYS 16 -9.210 1.107 -2.398 117 HB3 LYS 16 HB1 LYS 16 -8.199 0.189 -3.474 118 HG2 LYS 16 HG2 LYS 16 -7.898 -1.447 -1.512 119 HG3 LYS 16 HG1 LYS 16 -9.186 -0.536 -0.709 120 HD2 LYS 16 HD2 LYS 16 -9.419 -1.938 -3.386 121 HD3 LYS 16 HD1 LYS 16 -10.066 -2.521 -1.851 122 HE2 LYS 16 HE2 LYS 16 -11.570 -0.663 -1.705 123 HE3 LYS 16 HE1 LYS 16 -10.796 0.106 -3.088 124 HZ1 LYS 16 HZ1 LYS 16 -11.605 -1.745 -4.457 125 HZ2 LYS 16 HZ2 LYS 16 -12.835 -0.830 -3.759 126 HZ3 LYS 16 HZ3 LYS 16 -12.454 -2.355 -3.118 127 H GLU 17 HN GLU 17 -8.190 3.190 -3.097 128 HA GLU 17 HA GLU 17 -6.510 3.202 -5.309 129 HB2 GLU 17 HB2 GLU 17 -8.304 5.385 -4.249 130 HB3 GLU 17 HB1 GLU 17 -7.528 5.418 -5.834 131 HG2 GLU 17 HG2 GLU 17 -8.692 3.310 -6.409 132 HG3 GLU 17 HG1 GLU 17 -9.517 3.372 -4.857 133 H GLN 18 HN GLN 18 -5.953 4.735 -2.093 134 HA GLN 18 HA GLN 18 -4.013 6.499 -2.813 135 HB2 GLN 18 HB2 GLN 18 -5.125 6.703 -0.739 136 HB3 GLN 18 HB1 GLN 18 -4.885 5.004 -0.362 137 HG2 GLN 18 HG2 GLN 18 -2.683 5.292 -0.081 138 HG3 GLN 18 HG1 GLN 18 -2.715 7.015 -0.550 139 HE21 GLN 18 HE21 GLN 18 -5.038 5.346 1.529 140 HE22 GLN 18 HE22 GLN 18 -4.632 6.208 2.973 141 H LEU 19 HN LEU 19 -3.969 3.368 -1.455 142 HA LEU 19 HA LEU 19 -1.223 2.909 -1.476 143 HB2 LEU 19 HB2 LEU 19 -3.674 1.367 -1.219 144 HB3 LEU 19 HB1 LEU 19 -2.192 0.493 -1.445 145 HG LEU 19 HG LEU 19 -2.775 2.482 0.789 146 HD11 LEU 19 HD11 LEU 19 -2.902 0.539 2.248 147 HD12 LEU 19 HD12 LEU 19 -2.745 -0.508 0.832 148 HD13 LEU 19 HD13 LEU 19 -4.152 0.543 1.005 149 HD21 LEU 19 HD21 LEU 19 -0.380 2.332 0.289 150 HD22 LEU 19 HD22 LEU 19 -0.459 0.579 0.424 151 HD23 LEU 19 HD23 LEU 19 -0.748 1.585 1.843 152 H THR 20 HN THR 20 -3.752 2.116 -3.747 153 HA THR 20 HA THR 20 -2.244 0.596 -5.506 154 HB THR 20 HB THR 20 -4.680 2.297 -5.821 155 HG1 THR 20 HG1 THR 20 -4.218 -0.142 -5.011 156 HG21 THR 20 HG21 THR 20 -3.373 0.669 -8.029 157 HG22 THR 20 HG22 THR 20 -3.591 2.426 -7.961 158 HG23 THR 20 HG23 THR 20 -5.000 1.376 -8.106 159 H GLU 21 HN GLU 21 -2.877 4.128 -5.472 160 HA GLU 21 HA GLU 21 -1.613 4.740 -7.859 161 HB2 GLU 21 HB2 GLU 21 -3.180 6.074 -6.724 162 HB3 GLU 21 HB1 GLU 21 -2.152 6.258 -5.315 163 HG2 GLU 21 HG2 GLU 21 -2.103 8.316 -6.547 164 HG3 GLU 21 HG1 GLU 21 -0.545 7.527 -6.761 165 H SER 22 HN SER 22 -0.523 4.695 -4.589 166 HA SER 22 HA SER 22 2.097 5.678 -5.037 167 HB2 SER 22 HB2 SER 22 1.082 4.021 -2.722 168 HB3 SER 22 HB1 SER 22 2.544 5.018 -2.731 169 HG SER 22 HG SER 22 -0.165 5.808 -2.749 170 H GLY 23 HN GLY 23 0.834 2.395 -4.624 171 HA2 GLY 23 HA2 GLY 23 3.270 0.958 -4.882 172 HA3 GLY 23 HA1 GLY 23 1.657 0.339 -5.209 173 H LYS 24 HN LYS 24 0.951 2.131 -7.220 174 HA LYS 24 HA LYS 24 1.982 0.895 -9.505 175 HB2 LYS 24 HB2 LYS 24 0.473 3.433 -9.091 176 HB3 LYS 24 HB1 LYS 24 0.840 2.796 -10.692 177 HG2 LYS 24 HG2 LYS 24 -0.547 1.193 -8.613 178 HG3 LYS 24 HG1 LYS 24 -1.475 2.313 -9.572 179 HD2 LYS 24 HD2 LYS 24 0.156 -0.085 -10.503 180 HD3 LYS 24 HD1 LYS 24 -1.600 0.064 -10.480 181 HE2 LYS 24 HE2 LYS 24 -1.380 1.963 -12.096 182 HE3 LYS 24 HE1 LYS 24 0.345 1.565 -12.176 183 HZ1 LYS 24 HZ1 LYS 24 -1.888 -0.195 -12.985 184 HZ2 LYS 24 HZ2 LYS 24 -0.231 -0.611 -13.048 185 HZ3 LYS 24 HZ3 LYS 24 -0.832 0.624 -14.002 186 H LYS 25 HN LYS 25 2.926 3.881 -7.854 187 HA LYS 25 HA LYS 25 4.596 4.814 -9.954 188 HB2 LYS 25 HB2 LYS 25 4.402 5.504 -7.040 189 HB3 LYS 25 HB1 LYS 25 5.379 6.389 -8.218 190 HG2 LYS 25 HG2 LYS 25 3.329 7.010 -9.410 191 HG3 LYS 25 HG1 LYS 25 2.384 6.077 -8.248 192 HD2 LYS 25 HD2 LYS 25 2.318 8.468 -7.710 193 HD3 LYS 25 HD1 LYS 25 3.132 7.546 -6.446 194 HE2 LYS 25 HE2 LYS 25 5.293 8.198 -7.326 195 HE3 LYS 25 HE1 LYS 25 4.507 9.065 -8.647 196 HZ1 LYS 25 HZ1 LYS 25 3.533 10.536 -7.013 197 HZ2 LYS 25 HZ2 LYS 25 5.215 10.514 -6.885 198 HZ3 LYS 25 HZ3 LYS 25 4.273 9.691 -5.765 199 H ARG 26 HN ARG 26 4.947 3.039 -7.003 200 HA ARG 26 HA ARG 26 7.806 3.088 -6.968 201 HB2 ARG 26 HB2 ARG 26 5.866 1.336 -5.491 202 HB3 ARG 26 HB1 ARG 26 7.589 1.373 -5.217 203 HG2 ARG 26 HG2 ARG 26 7.326 3.756 -4.476 204 HG3 ARG 26 HG1 ARG 26 5.584 3.528 -4.641 205 HD2 ARG 26 HD2 ARG 26 5.524 1.742 -3.125 206 HD3 ARG 26 HD1 ARG 26 7.275 1.629 -3.053 207 HE ARG 26 HE ARG 26 5.730 3.859 -1.939 208 HH11 ARG 26 HH11 ARG 26 8.538 1.721 -1.805 209 HH12 ARG 26 HH12 ARG 26 8.705 1.752 -0.110 210 HH21 ARG 26 HH21 ARG 26 6.038 3.972 0.502 211 HH22 ARG 26 HH22 ARG 26 7.304 3.046 1.180 212 H GLY 27 HN GLY 27 5.305 0.734 -7.680 213 HA2 GLY 27 HA2 GLY 27 5.415 -0.971 -9.232 214 HA3 GLY 27 HA1 GLY 27 7.182 -1.010 -9.062 215 H VAL 28 HN VAL 28 5.882 -0.468 -6.091 216 HA VAL 28 HA VAL 28 5.455 -3.190 -5.326 217 HB VAL 28 HB VAL 28 7.878 -2.944 -5.761 218 HG11 VAL 28 HG11 VAL 28 7.852 -1.139 -3.371 219 HG12 VAL 28 HG12 VAL 28 8.300 -0.711 -5.025 220 HG13 VAL 28 HG13 VAL 28 9.302 -1.833 -4.104 221 HG21 VAL 28 HG21 VAL 28 7.078 -4.658 -4.437 222 HG22 VAL 28 HG22 VAL 28 6.981 -3.579 -3.043 223 HG23 VAL 28 HG23 VAL 28 8.575 -4.048 -3.698 224 H LEU 29 HN LEU 29 4.961 -3.388 -3.154 225 HA LEU 29 HA LEU 29 4.776 -1.028 -1.513 226 HB2 LEU 29 HB2 LEU 29 2.512 -2.776 -2.363 227 HB3 LEU 29 HB1 LEU 29 2.423 -1.970 -0.831 228 HG LEU 29 HG LEU 29 2.631 -0.644 -3.539 229 HD11 LEU 29 HD11 LEU 29 0.292 -0.037 -3.144 230 HD12 LEU 29 HD12 LEU 29 0.308 -0.944 -1.634 231 HD13 LEU 29 HD13 LEU 29 0.501 -1.787 -3.171 232 HD21 LEU 29 HD21 LEU 29 2.092 1.408 -2.345 233 HD22 LEU 29 HD22 LEU 29 3.610 0.723 -1.757 234 HD23 LEU 29 HD23 LEU 29 2.125 0.536 -0.813 235 H THR 30 HN THR 30 5.252 -1.653 0.627 236 HA THR 30 HA THR 30 5.775 -4.416 1.206 237 HB THR 30 HB THR 30 6.039 -3.628 3.597 238 HG1 THR 30 HG1 THR 30 5.639 -1.067 2.422 239 HG21 THR 30 HG21 THR 30 7.975 -3.862 2.271 240 HG22 THR 30 HG22 THR 30 8.125 -2.360 3.185 241 HG23 THR 30 HG23 THR 30 7.696 -2.318 1.465 242 H TYR 31 HN TYR 31 4.604 -5.868 2.320 243 HA TYR 31 HA TYR 31 1.870 -5.826 2.390 244 HB2 TYR 31 HB2 TYR 31 3.837 -7.405 4.025 245 HB3 TYR 31 HB1 TYR 31 2.111 -7.599 4.264 246 HD1 TYR 31 HD1 TYR 31 4.981 -8.617 2.243 247 HD2 TYR 31 HD2 TYR 31 0.710 -8.273 2.274 248 HE1 TYR 31 HE1 TYR 31 4.822 -10.223 0.424 249 HE2 TYR 31 HE2 TYR 31 0.570 -9.890 0.446 250 HH TYR 31 HH TYR 31 3.242 -11.761 -0.574 251 H GLU 32 HN GLU 32 4.028 -4.678 4.970 252 HA GLU 32 HA GLU 32 1.838 -4.357 6.748 253 HB2 GLU 32 HB2 GLU 32 4.139 -4.782 7.596 254 HB3 GLU 32 HB1 GLU 32 4.588 -3.146 7.102 255 HG2 GLU 32 HG2 GLU 32 2.802 -2.276 8.557 256 HG3 GLU 32 HG1 GLU 32 2.483 -3.910 9.111 257 H GLU 33 HN GLU 33 3.310 -2.194 4.348 258 HA GLU 33 HA GLU 33 2.161 0.112 5.635 259 HB2 GLU 33 HB2 GLU 33 2.977 1.443 3.818 260 HB3 GLU 33 HB1 GLU 33 4.214 0.244 4.122 261 HG2 GLU 33 HG2 GLU 33 3.319 -1.074 2.217 262 HG3 GLU 33 HG1 GLU 33 2.210 0.257 1.887 263 H ILE 34 HN ILE 34 1.307 -2.198 3.262 264 HA ILE 34 HA ILE 34 -1.012 -0.968 2.292 265 HB ILE 34 HB ILE 34 -0.459 -3.937 2.602 266 HG12 ILE 34 HG12 ILE 34 -0.030 -2.116 0.231 267 HG13 ILE 34 HG11 ILE 34 1.246 -2.688 1.298 268 HG21 ILE 34 HG21 ILE 34 -2.407 -2.414 0.889 269 HG22 ILE 34 HG22 ILE 34 -2.814 -3.464 2.246 270 HG23 ILE 34 HG23 ILE 34 -2.118 -4.145 0.763 271 HD11 ILE 34 HD11 ILE 34 -0.492 -4.374 -0.490 272 HD12 ILE 34 HD12 ILE 34 0.728 -4.991 0.627 273 HD13 ILE 34 HD13 ILE 34 1.208 -3.961 -0.719 274 H ALA 35 HN ALA 35 -0.374 -3.084 5.091 275 HA ALA 35 HA ALA 35 -3.026 -3.305 5.902 276 HB1 ALA 35 HB1 ALA 35 -0.463 -3.717 7.441 277 HB2 ALA 35 HB2 ALA 35 -1.323 -4.940 6.509 278 HB3 ALA 35 HB3 ALA 35 -2.065 -4.247 7.951 279 H GLU 36 HN GLU 36 -0.510 -0.953 6.285 280 HA GLU 36 HA GLU 36 -1.068 0.154 8.777 281 HB2 GLU 36 HB2 GLU 36 1.027 0.473 7.598 282 HB3 GLU 36 HB1 GLU 36 0.198 1.340 6.317 283 HG2 GLU 36 HG2 GLU 36 -0.473 3.020 8.075 284 HG3 GLU 36 HG1 GLU 36 0.669 2.210 9.147 285 H ARG 37 HN ARG 37 -1.947 1.328 5.491 286 HA ARG 37 HA ARG 37 -3.470 3.476 6.451 287 HB2 ARG 37 HB2 ARG 37 -3.704 2.063 3.795 288 HB3 ARG 37 HB1 ARG 37 -4.090 3.737 4.149 289 HG2 ARG 37 HG2 ARG 37 -1.322 2.564 4.249 290 HG3 ARG 37 HG1 ARG 37 -1.991 3.435 2.876 291 HD2 ARG 37 HD2 ARG 37 -2.088 5.455 4.094 292 HD3 ARG 37 HD1 ARG 37 -1.801 4.621 5.631 293 HE ARG 37 HE ARG 37 0.424 4.242 4.976 294 HH11 ARG 37 HH11 ARG 37 -1.253 6.670 2.902 295 HH12 ARG 37 HH12 ARG 37 0.207 7.240 2.274 296 HH21 ARG 37 HH21 ARG 37 2.353 5.089 4.025 297 HH22 ARG 37 HH22 ARG 37 2.221 6.390 2.915 298 H MET 38 HN MET 38 -4.068 0.133 5.912 299 HA MET 38 HA MET 38 -6.925 0.402 5.805 300 HB2 MET 38 HB2 MET 38 -5.228 -2.096 5.937 301 HB3 MET 38 HB1 MET 38 -6.956 -2.030 5.708 302 HG2 MET 38 HG2 MET 38 -4.933 -0.875 3.818 303 HG3 MET 38 HG1 MET 38 -5.748 -2.424 3.630 304 HE1 MET 38 HE1 MET 38 -6.761 -1.994 1.304 305 HE2 MET 38 HE2 MET 38 -5.779 -0.537 1.270 306 HE3 MET 38 HE3 MET 38 -7.482 -0.463 0.809 307 H SER 39 HN SER 39 -4.702 0.436 8.275 308 HA SER 39 HA SER 39 -5.888 -1.313 10.162 309 HB2 SER 39 HB2 SER 39 -4.057 1.043 10.614 310 HB3 SER 39 HB1 SER 39 -4.463 -0.160 11.836 311 HG SER 39 HG SER 39 -3.422 -0.971 9.342 312 H SER 40 HN SER 40 -6.842 1.733 9.070 313 HA SER 40 HA SER 40 -8.277 2.560 11.385 314 HB2 SER 40 HB2 SER 40 -7.510 4.139 9.614 315 HB3 SER 40 HB1 SER 40 -8.588 3.341 8.473 316 HG SER 40 HG SER 40 -9.097 5.234 10.362 317 H PHE 41 HN PHE 41 -8.888 0.564 8.570 318 HA PHE 41 HA PHE 41 -11.750 0.346 9.008 319 HB2 PHE 41 HB2 PHE 41 -9.923 -1.002 7.063 320 HB3 PHE 41 HB1 PHE 41 -11.662 -1.040 6.937 321 HD1 PHE 41 HD1 PHE 41 -8.870 0.311 5.638 322 HD2 PHE 41 HD2 PHE 41 -12.615 1.573 7.178 323 HE1 PHE 41 HE1 PHE 41 -8.647 2.411 4.422 324 HE2 PHE 41 HE2 PHE 41 -12.417 3.686 5.950 325 HZ PHE 41 HZ PHE 41 -10.415 4.106 4.572 326 H GLU 42 HN GLU 42 -8.885 -1.614 9.132 327 HA GLU 42 HA GLU 42 -8.387 -3.657 9.855 328 HB2 GLU 42 HB2 GLU 42 -10.768 -3.315 11.704 329 HB3 GLU 42 HB1 GLU 42 -9.497 -4.523 11.892 330 HG2 GLU 42 HG2 GLU 42 -7.843 -2.744 12.161 331 HG3 GLU 42 HG1 GLU 42 -9.112 -1.542 11.969 332 H ILE 43 HN ILE 43 -8.739 -4.434 7.942 333 HA ILE 43 HA ILE 43 -11.356 -5.262 6.944 334 HB ILE 43 HB ILE 43 -8.652 -5.548 5.622 335 HG12 ILE 43 HG12 ILE 43 -10.514 -3.284 5.233 336 HG13 ILE 43 HG11 ILE 43 -9.139 -3.187 6.368 337 HG21 ILE 43 HG21 ILE 43 -9.933 -5.430 3.634 338 HG22 ILE 43 HG22 ILE 43 -11.422 -5.256 4.559 339 HG23 ILE 43 HG23 ILE 43 -10.501 -6.767 4.642 340 HD11 ILE 43 HD11 ILE 43 -8.671 -2.366 4.099 341 HD12 ILE 43 HD12 ILE 43 -9.013 -4.042 3.553 342 HD13 ILE 43 HD13 ILE 43 -7.649 -3.726 4.609 343 H GLU 44 HN GLU 44 -11.777 -7.370 6.306 344 HA GLU 44 HA GLU 44 -10.742 -9.579 7.743 345 HB2 GLU 44 HB2 GLU 44 -12.269 -9.453 5.139 346 HB3 GLU 44 HB1 GLU 44 -12.072 -10.886 6.127 347 HG2 GLU 44 HG2 GLU 44 -13.435 -8.380 7.064 348 HG3 GLU 44 HG1 GLU 44 -14.274 -9.743 6.331 349 H SER 45 HN SER 45 -9.467 -11.345 6.828 350 HA SER 45 HA SER 45 -7.202 -10.607 5.336 351 HB2 SER 45 HB2 SER 45 -7.257 -12.539 6.904 352 HB3 SER 45 HB1 SER 45 -8.358 -13.373 5.818 353 HG SER 45 HG SER 45 -5.637 -12.852 5.573 354 H ASP 46 HN ASP 46 -10.299 -11.841 4.479 355 HA ASP 46 HA ASP 46 -10.011 -12.908 1.951 356 HB2 ASP 46 HB2 ASP 46 -12.275 -11.261 3.093 357 HB3 ASP 46 HB1 ASP 46 -12.372 -12.200 1.612 358 H GLN 47 HN GLN 47 -10.807 -9.563 2.832 359 HA GLN 47 HA GLN 47 -10.842 -8.636 0.162 360 HB2 GLN 47 HB2 GLN 47 -10.390 -7.002 2.587 361 HB3 GLN 47 HB1 GLN 47 -11.030 -6.467 1.042 362 HG2 GLN 47 HG2 GLN 47 -12.727 -8.444 1.752 363 HG3 GLN 47 HG1 GLN 47 -12.344 -7.695 3.306 364 HE21 GLN 47 HE21 GLN 47 -14.279 -6.685 3.582 365 HE22 GLN 47 HE22 GLN 47 -14.767 -5.388 2.554 366 H MET 48 HN MET 48 -8.419 -8.860 2.681 367 HA MET 48 HA MET 48 -6.579 -7.073 1.573 368 HB2 MET 48 HB2 MET 48 -6.154 -9.406 3.434 369 HB3 MET 48 HB1 MET 48 -4.817 -8.447 2.850 370 HG2 MET 48 HG2 MET 48 -7.119 -7.131 4.235 371 HG3 MET 48 HG1 MET 48 -5.847 -7.946 5.142 372 HE1 MET 48 HE1 MET 48 -5.123 -4.134 2.553 373 HE2 MET 48 HE2 MET 48 -6.670 -4.988 2.617 374 HE3 MET 48 HE3 MET 48 -5.287 -5.691 1.768 375 H ASP 49 HN ASP 49 -6.830 -10.584 1.307 376 HA ASP 49 HA ASP 49 -4.673 -10.931 -0.532 377 HB2 ASP 49 HB2 ASP 49 -5.697 -12.759 0.804 378 HB3 ASP 49 HB1 ASP 49 -7.154 -12.616 -0.160 379 H GLU 50 HN GLU 50 -8.101 -10.373 -0.921 380 HA GLU 50 HA GLU 50 -8.297 -10.622 -3.650 381 HB2 GLU 50 HB2 GLU 50 -10.211 -10.312 -2.094 382 HB3 GLU 50 HB1 GLU 50 -9.725 -8.643 -1.857 383 HG2 GLU 50 HG2 GLU 50 -11.567 -8.644 -3.337 384 HG3 GLU 50 HG1 GLU 50 -10.134 -8.263 -4.287 385 H TYR 51 HN TYR 51 -7.387 -7.902 -1.610 386 HA TYR 51 HA TYR 51 -7.047 -6.007 -3.684 387 HB2 TYR 51 HB2 TYR 51 -7.531 -5.357 -1.341 388 HB3 TYR 51 HB1 TYR 51 -5.944 -5.945 -0.871 389 HD1 TYR 51 HD1 TYR 51 -4.687 -4.102 -0.241 390 HD2 TYR 51 HD2 TYR 51 -6.995 -3.895 -3.816 391 HE1 TYR 51 HE1 TYR 51 -3.679 -1.916 -0.779 392 HE2 TYR 51 HE2 TYR 51 -6.010 -1.721 -4.328 393 HH TYR 51 HH TYR 51 -4.896 0.142 -3.138 394 H TYR 52 HN TYR 52 -4.870 -8.271 -2.022 395 HA TYR 52 HA TYR 52 -2.497 -7.198 -3.038 396 HB2 TYR 52 HB2 TYR 52 -3.075 -10.041 -2.138 397 HB3 TYR 52 HB1 TYR 52 -1.469 -9.450 -2.533 398 HD1 TYR 52 HD1 TYR 52 -2.888 -10.521 0.198 399 HD2 TYR 52 HD2 TYR 52 -1.614 -6.719 -1.261 400 HE1 TYR 52 HE1 TYR 52 -2.662 -9.694 2.507 401 HE2 TYR 52 HE2 TYR 52 -1.376 -5.923 1.024 402 HH TYR 52 HH TYR 52 -2.331 -6.447 3.262 403 H GLU 53 HN GLU 53 -4.598 -9.750 -4.237 404 HA GLU 53 HA GLU 53 -3.189 -10.367 -6.563 405 HB2 GLU 53 HB2 GLU 53 -5.001 -11.701 -5.546 406 HB3 GLU 53 HB1 GLU 53 -6.159 -10.470 -6.017 407 HG2 GLU 53 HG2 GLU 53 -6.278 -12.309 -7.544 408 HG3 GLU 53 HG1 GLU 53 -5.579 -10.916 -8.378 409 H PHE 54 HN PHE 54 -5.680 -7.966 -5.842 410 HA PHE 54 HA PHE 54 -6.140 -6.967 -8.408 411 HB2 PHE 54 HB2 PHE 54 -7.665 -6.329 -6.694 412 HB3 PHE 54 HB1 PHE 54 -6.368 -5.753 -5.660 413 HD1 PHE 54 HD1 PHE 54 -8.350 -4.977 -8.676 414 HD2 PHE 54 HD2 PHE 54 -5.540 -3.613 -5.819 415 HE1 PHE 54 HE1 PHE 54 -8.627 -2.670 -9.506 416 HE2 PHE 54 HE2 PHE 54 -5.809 -1.310 -6.624 417 HZ PHE 54 HZ PHE 54 -7.316 -0.834 -8.449 418 H LEU 55 HN LEU 55 -3.935 -5.841 -5.892 419 HA LEU 55 HA LEU 55 -2.722 -3.808 -7.292 420 HB2 LEU 55 HB2 LEU 55 -1.696 -5.591 -5.110 421 HB3 LEU 55 HB1 LEU 55 -0.742 -4.266 -5.727 422 HG LEU 55 HG LEU 55 -3.468 -3.962 -4.476 423 HD11 LEU 55 HD11 LEU 55 -2.255 -3.065 -2.561 424 HD12 LEU 55 HD12 LEU 55 -0.724 -3.447 -3.348 425 HD13 LEU 55 HD13 LEU 55 -1.813 -4.746 -2.861 426 HD21 LEU 55 HD21 LEU 55 -2.932 -2.191 -6.068 427 HD22 LEU 55 HD22 LEU 55 -1.369 -1.955 -5.287 428 HD23 LEU 55 HD23 LEU 55 -2.856 -1.587 -4.414 429 H GLY 56 HN GLY 56 -1.926 -7.220 -7.085 430 HA2 GLY 56 HA2 GLY 56 0.396 -7.265 -8.622 431 HA3 GLY 56 HA1 GLY 56 -0.712 -8.621 -8.414 432 H GLU 57 HN GLU 57 -3.021 -7.552 -9.622 433 HA GLU 57 HA GLU 57 -2.527 -7.910 -12.307 434 HB2 GLU 57 HB2 GLU 57 -4.805 -6.653 -10.857 435 HB3 GLU 57 HB1 GLU 57 -4.793 -6.907 -12.588 436 HG2 GLU 57 HG2 GLU 57 -4.432 -9.364 -12.057 437 HG3 GLU 57 HG1 GLU 57 -4.841 -8.938 -10.388 438 H GLN 58 HN GLN 58 -2.718 -4.970 -10.384 439 HA GLN 58 HA GLN 58 -2.871 -3.239 -12.637 440 HB2 GLN 58 HB2 GLN 58 -1.956 -2.517 -9.845 441 HB3 GLN 58 HB1 GLN 58 -2.564 -1.447 -11.094 442 HG2 GLN 58 HG2 GLN 58 -4.132 -3.505 -9.559 443 HG3 GLN 58 HG1 GLN 58 -4.227 -1.757 -9.382 444 HE21 GLN 58 HE21 GLN 58 -5.224 -4.498 -11.164 445 HE22 GLN 58 HE22 GLN 58 -6.333 -3.713 -12.215 446 H GLY 59 HN GLY 59 -0.270 -4.021 -10.360 447 HA2 GLY 59 HA2 GLY 59 1.811 -4.583 -11.868 448 HA3 GLY 59 HA1 GLY 59 1.672 -2.867 -12.221 449 H VAL 60 HN VAL 60 1.186 -4.619 -9.172 450 HA VAL 60 HA VAL 60 3.424 -3.092 -8.036 451 HB VAL 60 HB VAL 60 0.874 -3.719 -6.546 452 HG11 VAL 60 HG11 VAL 60 2.794 -3.472 -5.183 453 HG12 VAL 60 HG12 VAL 60 1.691 -2.117 -4.931 454 HG13 VAL 60 HG13 VAL 60 3.153 -1.903 -5.898 455 HG21 VAL 60 HG21 VAL 60 1.605 -1.081 -7.841 456 HG22 VAL 60 HG22 VAL 60 0.232 -1.335 -6.764 457 HG23 VAL 60 HG23 VAL 60 0.279 -2.132 -8.335 458 H GLU 61 HN GLU 61 4.801 -4.374 -6.999 459 HA GLU 61 HA GLU 61 4.076 -7.139 -6.415 460 HB2 GLU 61 HB2 GLU 61 6.651 -5.591 -6.229 461 HB3 GLU 61 HB1 GLU 61 6.483 -7.285 -5.774 462 HG2 GLU 61 HG2 GLU 61 5.894 -7.857 -7.971 463 HG3 GLU 61 HG1 GLU 61 5.911 -6.172 -8.489 464 H LEU 62 HN LEU 62 3.784 -7.846 -4.283 465 HA LEU 62 HA LEU 62 3.968 -5.712 -2.346 466 HB2 LEU 62 HB2 LEU 62 2.662 -8.407 -2.002 467 HB3 LEU 62 HB1 LEU 62 2.529 -7.026 -0.937 468 HG LEU 62 HG LEU 62 0.558 -6.850 -1.945 469 HD11 LEU 62 HD11 LEU 62 1.559 -4.777 -2.420 470 HD12 LEU 62 HD12 LEU 62 0.403 -5.223 -3.672 471 HD13 LEU 62 HD13 LEU 62 2.133 -5.384 -3.972 472 HD21 LEU 62 HD21 LEU 62 0.609 -8.815 -3.246 473 HD22 LEU 62 HD22 LEU 62 1.630 -8.056 -4.482 474 HD23 LEU 62 HD23 LEU 62 -0.035 -7.512 -4.229 475 H ILE 63 HN ILE 63 5.759 -5.580 -1.332 476 HA ILE 63 HA ILE 63 7.445 -7.934 -0.995 477 HB ILE 63 HB ILE 63 9.085 -6.361 -0.015 478 HG12 ILE 63 HG12 ILE 63 7.207 -4.330 -1.215 479 HG13 ILE 63 HG11 ILE 63 7.625 -4.524 0.473 480 HG21 ILE 63 HG21 ILE 63 8.244 -6.110 -2.872 481 HG22 ILE 63 HG22 ILE 63 9.374 -7.296 -2.134 482 HG23 ILE 63 HG23 ILE 63 9.811 -5.582 -2.224 483 HD11 ILE 63 HD11 ILE 63 8.762 -2.624 -0.503 484 HD12 ILE 63 HD12 ILE 63 9.499 -3.682 -1.707 485 HD13 ILE 63 HD13 ILE 63 9.908 -3.869 -0.003 486 H SER 64 HN SER 64 8.728 -8.077 0.855 487 HA SER 64 HA SER 64 7.031 -8.253 3.159 488 HB2 SER 64 HB2 SER 64 9.154 -9.522 1.838 489 HB3 SER 64 HB1 SER 64 9.272 -9.611 3.596 490 HG SER 64 HG SER 64 7.830 -11.026 1.836 491 H GLU 65 HN GLU 65 8.659 -5.714 2.404 492 HA GLU 65 HA GLU 65 9.408 -3.938 3.644 493 HB2 GLU 65 HB2 GLU 65 7.820 -4.695 5.333 494 HB3 GLU 65 HB1 GLU 65 9.046 -5.736 6.032 495 HG2 GLU 65 HG2 GLU 65 10.404 -3.650 6.416 496 HG3 GLU 65 HG1 GLU 65 8.955 -2.738 5.980 497 H ASN 66 HN ASN 66 10.972 -6.830 4.909 498 HA ASN 66 HA ASN 66 13.366 -5.504 5.707 499 HB2 ASN 66 HB2 ASN 66 12.645 -7.785 6.518 500 HB3 ASN 66 HB1 ASN 66 13.119 -8.429 4.950 501 HD21 ASN 66 HD21 ASN 66 14.191 -7.257 8.005 502 HD22 ASN 66 HD22 ASN 66 15.854 -7.638 7.818 503 H GLU 67 HN GLU 67 12.252 -6.470 2.769 504 HA GLU 67 HA GLU 67 14.874 -6.574 1.477 505 HB2 GLU 67 HB2 GLU 67 13.743 -7.705 -0.291 506 HB3 GLU 67 HB1 GLU 67 13.144 -8.333 1.266 507 HG2 GLU 67 HG2 GLU 67 11.175 -6.889 1.036 508 HG3 GLU 67 HG1 GLU 67 11.800 -6.388 -0.544 509 H GLU 68 HN GLU 68 14.435 -5.773 -0.991 510 HA GLU 68 HA GLU 68 14.055 -4.309 -2.484 511 HB2 GLU 68 HB2 GLU 68 11.733 -4.247 -1.819 512 HB3 GLU 68 HB1 GLU 68 12.078 -3.031 -0.603 513 HG2 GLU 68 HG2 GLU 68 10.985 -2.145 -2.635 514 HG3 GLU 68 HG1 GLU 68 12.535 -1.403 -2.259 515 H THR 69 HN THR 69 14.803 -2.199 -3.212 516 HA THR 69 HA THR 69 16.716 -1.257 -1.274 517 HB THR 69 HB THR 69 18.047 -0.584 -3.412 518 HG1 THR 69 HG1 THR 69 16.407 -2.705 -4.373 519 HG21 THR 69 HG21 THR 69 18.774 -2.309 -1.825 520 HG22 THR 69 HG22 THR 69 19.081 -2.822 -3.481 521 HG23 THR 69 HG23 THR 69 17.703 -3.478 -2.594 522 H GLU 70 HN GLU 70 14.158 -0.265 -3.030 523 HA GLU 70 HA GLU 70 14.925 2.501 -3.126 524 HB2 GLU 70 HB2 GLU 70 12.540 2.936 -3.645 525 HB3 GLU 70 HB1 GLU 70 13.284 1.741 -4.705 526 HG2 GLU 70 HG2 GLU 70 12.235 -0.003 -3.721 527 HG3 GLU 70 HG1 GLU 70 11.873 0.878 -2.258 528 H ASP 71 HN ASP 71 14.348 0.574 -0.647 529 HA ASP 71 HA ASP 71 12.477 2.006 0.966 530 HB2 ASP 71 HB2 ASP 71 13.064 -0.459 1.088 531 HB3 ASP 71 HB1 ASP 71 14.551 0.029 1.892 532 H LEU 72 HN LEU 72 15.497 2.571 0.072 533 HA LEU 72 HA LEU 72 16.629 3.772 2.425 534 HB2 LEU 72 HB2 LEU 72 17.400 4.072 -0.472 535 HB3 LEU 72 HB1 LEU 72 18.353 4.628 0.883 536 HG LEU 72 HG LEU 72 17.699 1.748 0.282 537 HD11 LEU 72 HD11 LEU 72 19.193 2.696 -1.359 538 HD12 LEU 72 HD12 LEU 72 20.084 1.602 -0.296 539 HD13 LEU 72 HD13 LEU 72 20.216 3.345 -0.081 540 HD21 LEU 72 HD21 LEU 72 19.523 2.978 2.351 541 HD22 LEU 72 HD22 LEU 72 19.367 1.255 2.013 542 HD23 LEU 72 HD23 LEU 72 18.001 2.148 2.677 543 H GLU 73 HN GLU 73 14.202 4.693 0.379 544 HA GLU 73 HA GLU 73 14.667 7.533 0.843 545 HB2 GLU 73 HB2 GLU 73 12.858 6.179 -1.142 546 HB3 GLU 73 HB1 GLU 73 13.056 7.918 -0.960 547 HG2 GLU 73 HG2 GLU 73 15.436 7.671 -1.538 548 HG3 GLU 73 HG1 GLU 73 15.159 5.952 -1.812 549 H HIS 74 HN HIS 74 12.949 8.762 1.617 550 HA HIS 74 HA HIS 74 11.292 7.244 3.475 551 HB2 HIS 74 HB2 HIS 74 12.796 8.993 4.355 552 HB3 HIS 74 HB1 HIS 74 11.978 10.189 3.364 553 HD1 HIS 74 HD1 HIS 74 10.276 11.516 4.639 554 HD2 HIS 74 HD2 HIS 74 10.846 7.716 6.236 555 HE1 HIS 74 HE1 HIS 74 8.882 11.416 6.730 556 H HIS 75 HN HIS 75 9.225 6.893 2.965 557 HA HIS 75 HA HIS 75 7.670 9.007 1.752 558 HB2 HIS 75 HB2 HIS 75 8.503 7.739 -0.202 559 HB3 HIS 75 HB1 HIS 75 7.821 6.264 0.467 560 HD1 HIS 75 HD1 HIS 75 5.087 6.098 0.437 561 HD2 HIS 75 HD2 HIS 75 6.730 9.423 -1.462 562 HE1 HIS 75 HE1 HIS 75 3.263 7.068 -0.979 563 H HIS 76 HN HIS 76 5.847 9.107 2.843 564 HA HIS 76 HA HIS 76 4.478 6.664 3.360 565 HB2 HIS 76 HB2 HIS 76 3.606 7.599 5.565 566 HB3 HIS 76 HB1 HIS 76 5.277 7.065 5.581 567 HD1 HIS 76 HD1 HIS 76 3.221 10.271 5.595 568 HD2 HIS 76 HD2 HIS 76 7.082 8.939 6.317 569 HE1 HIS 76 HE1 HIS 76 4.419 12.174 6.713 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -14.517 14.996 -11.221 2 H2 ALA 1 HT2 ALA 1 -13.197 14.449 -10.279 3 H3 ALA 1 HT3 ALA 1 -13.607 16.064 -10.286 4 HA ALA 1 HA ALA 1 -15.619 15.659 -9.140 5 HB1 ALA 1 HB1 ALA 1 -14.730 12.777 -9.227 6 HB2 ALA 1 HB2 ALA 1 -16.116 13.444 -10.087 7 HB3 ALA 1 HB3 ALA 1 -16.109 13.397 -8.326 8 H ASP 2 HN ASP 2 -15.523 15.725 -6.870 9 HA ASP 2 HA ASP 2 -12.910 15.747 -5.684 10 HB2 ASP 2 HB2 ASP 2 -15.675 15.837 -4.416 11 HB3 ASP 2 HB1 ASP 2 -14.177 15.985 -3.507 12 H LYS 3 HN LYS 3 -11.872 14.053 -4.927 13 HA LYS 3 HA LYS 3 -13.153 11.574 -5.608 14 HB2 LYS 3 HB2 LYS 3 -10.877 12.253 -6.421 15 HB3 LYS 3 HB1 LYS 3 -10.294 12.006 -4.784 16 HG2 LYS 3 HG2 LYS 3 -9.786 10.082 -6.111 17 HG3 LYS 3 HG1 LYS 3 -11.019 9.655 -4.919 18 HD2 LYS 3 HD2 LYS 3 -12.761 9.915 -6.641 19 HD3 LYS 3 HD1 LYS 3 -11.515 10.314 -7.832 20 HE2 LYS 3 HE2 LYS 3 -12.168 7.999 -8.031 21 HE3 LYS 3 HE1 LYS 3 -10.507 8.102 -7.445 22 HZ1 LYS 3 HZ1 LYS 3 -11.529 6.511 -6.131 23 HZ2 LYS 3 HZ2 LYS 3 -12.941 7.384 -5.964 24 HZ3 LYS 3 HZ3 LYS 3 -11.563 7.874 -5.135 25 H GLN 4 HN GLN 4 -11.093 12.531 -2.876 26 HA GLN 4 HA GLN 4 -12.502 10.470 -1.391 27 HB2 GLN 4 HB2 GLN 4 -10.485 10.421 0.137 28 HB3 GLN 4 HB1 GLN 4 -10.276 9.793 -1.481 29 HG2 GLN 4 HG2 GLN 4 -8.320 11.036 -0.816 30 HG3 GLN 4 HG1 GLN 4 -9.144 11.883 -2.126 31 HE21 GLN 4 HE21 GLN 4 -8.343 11.920 1.250 32 HE22 GLN 4 HE22 GLN 4 -8.732 13.563 1.547 33 H THR 5 HN THR 5 -12.057 10.930 1.167 34 HA THR 5 HA THR 5 -13.788 13.121 1.632 35 HB THR 5 HB THR 5 -13.593 12.020 3.977 36 HG1 THR 5 HG1 THR 5 -12.559 10.153 4.018 37 HG21 THR 5 HG21 THR 5 -15.218 10.304 3.277 38 HG22 THR 5 HG22 THR 5 -14.732 10.558 1.595 39 HG23 THR 5 HG23 THR 5 -15.542 11.849 2.482 40 H HIS 6 HN HIS 6 -13.257 14.953 2.504 41 HA HIS 6 HA HIS 6 -10.608 15.907 2.650 42 HB2 HIS 6 HB2 HIS 6 -12.576 17.258 2.005 43 HB3 HIS 6 HB1 HIS 6 -13.176 17.144 3.649 44 HD1 HIS 6 HD1 HIS 6 -10.594 18.877 1.561 45 HD2 HIS 6 HD2 HIS 6 -11.995 18.871 5.463 46 HE1 HIS 6 HE1 HIS 6 -9.685 20.957 2.630 47 H GLU 7 HN GLU 7 -12.712 14.537 5.038 48 HA GLU 7 HA GLU 7 -11.391 15.668 7.269 49 HB2 GLU 7 HB2 GLU 7 -12.605 13.888 8.632 50 HB3 GLU 7 HB1 GLU 7 -13.576 15.070 7.770 51 HG2 GLU 7 HG2 GLU 7 -12.864 12.618 6.444 52 HG3 GLU 7 HG1 GLU 7 -14.114 12.485 7.713 53 H THR 8 HN THR 8 -10.093 13.723 5.243 54 HA THR 8 HA THR 8 -8.173 12.607 5.146 55 HB THR 8 HB THR 8 -7.648 13.336 8.045 56 HG1 THR 8 HG1 THR 8 -8.127 14.933 5.941 57 HG21 THR 8 HG21 THR 8 -5.999 11.831 7.000 58 HG22 THR 8 HG22 THR 8 -5.299 13.432 7.266 59 HG23 THR 8 HG23 THR 8 -5.835 12.954 5.652 60 H GLU 9 HN GLU 9 -10.598 11.536 6.712 61 HA GLU 9 HA GLU 9 -9.320 8.931 6.905 62 HB2 GLU 9 HB2 GLU 9 -11.756 9.975 8.245 63 HB3 GLU 9 HB1 GLU 9 -11.372 8.239 8.251 64 HG2 GLU 9 HG2 GLU 9 -9.130 9.054 9.305 65 HG3 GLU 9 HG1 GLU 9 -10.021 10.539 9.639 66 H LEU 10 HN LEU 10 -9.610 7.825 5.311 67 HA LEU 10 HA LEU 10 -11.521 8.698 3.299 68 HB2 LEU 10 HB2 LEU 10 -9.394 6.682 2.726 69 HB3 LEU 10 HB1 LEU 10 -10.106 7.904 1.703 70 HG LEU 10 HG LEU 10 -8.746 9.601 3.131 71 HD11 LEU 10 HD11 LEU 10 -8.070 8.167 4.917 72 HD12 LEU 10 HD12 LEU 10 -6.634 8.654 4.009 73 HD13 LEU 10 HD13 LEU 10 -7.347 7.048 3.775 74 HD21 LEU 10 HD21 LEU 10 -8.266 9.084 0.769 75 HD22 LEU 10 HD22 LEU 10 -7.324 7.677 1.301 76 HD23 LEU 10 HD23 LEU 10 -6.785 9.294 1.710 77 H THR 11 HN THR 11 -11.949 6.558 1.784 78 HA THR 11 HA THR 11 -13.169 4.731 3.654 79 HB THR 11 HB THR 11 -14.607 4.063 1.737 80 HG1 THR 11 HG1 THR 11 -14.407 5.191 -0.195 81 HG21 THR 11 HG21 THR 11 -15.828 6.169 1.446 82 HG22 THR 11 HG22 THR 11 -14.433 7.056 2.067 83 HG23 THR 11 HG23 THR 11 -15.326 5.965 3.128 84 H PHE 12 HN PHE 12 -13.352 2.442 2.630 85 HA PHE 12 HA PHE 12 -10.751 1.408 2.600 86 HB2 PHE 12 HB2 PHE 12 -12.636 0.024 3.289 87 HB3 PHE 12 HB1 PHE 12 -13.328 0.109 1.676 88 HD1 PHE 12 HD1 PHE 12 -13.132 -1.861 0.487 89 HD2 PHE 12 HD2 PHE 12 -10.002 -0.731 3.120 90 HE1 PHE 12 HE1 PHE 12 -11.880 -3.895 -0.124 91 HE2 PHE 12 HE2 PHE 12 -8.754 -2.743 2.518 92 HZ PHE 12 HZ PHE 12 -9.663 -4.334 0.932 93 H ASP 13 HN ASP 13 -12.979 2.135 0.145 94 HA ASP 13 HA ASP 13 -11.550 1.319 -2.136 95 HB2 ASP 13 HB2 ASP 13 -13.934 2.055 -1.985 96 HB3 ASP 13 HB1 ASP 13 -13.344 3.702 -2.032 97 H GLN 14 HN GLN 14 -11.460 4.211 -0.297 98 HA GLN 14 HA GLN 14 -9.935 5.508 -2.309 99 HB2 GLN 14 HB2 GLN 14 -10.590 6.523 0.443 100 HB3 GLN 14 HB1 GLN 14 -9.712 7.447 -0.786 101 HG2 GLN 14 HG2 GLN 14 -12.552 6.505 -0.869 102 HG3 GLN 14 HG1 GLN 14 -11.952 8.166 -0.822 103 HE21 GLN 14 HE21 GLN 14 -12.460 5.383 -2.707 104 HE22 GLN 14 HE22 GLN 14 -12.022 5.974 -4.240 105 H VAL 15 HN VAL 15 -9.370 3.892 0.612 106 HA VAL 15 HA VAL 15 -6.672 4.742 0.883 107 HB VAL 15 HB VAL 15 -8.217 2.549 2.292 108 HG11 VAL 15 HG11 VAL 15 -6.149 2.300 3.693 109 HG12 VAL 15 HG12 VAL 15 -5.347 3.445 2.575 110 HG13 VAL 15 HG13 VAL 15 -5.848 1.879 1.996 111 HG21 VAL 15 HG21 VAL 15 -7.851 3.984 4.222 112 HG22 VAL 15 HG22 VAL 15 -8.669 4.864 2.921 113 HG23 VAL 15 HG23 VAL 15 -6.931 5.090 3.214 114 H LYS 16 HN LYS 16 -8.320 1.911 -0.469 115 HA LYS 16 HA LYS 16 -6.129 0.569 -1.302 116 HB2 LYS 16 HB2 LYS 16 -8.853 1.044 -2.340 117 HB3 LYS 16 HB1 LYS 16 -7.737 0.124 -3.305 118 HG2 LYS 16 HG2 LYS 16 -7.523 -1.401 -1.279 119 HG3 LYS 16 HG1 LYS 16 -8.877 -0.503 -0.596 120 HD2 LYS 16 HD2 LYS 16 -8.903 -2.064 -3.196 121 HD3 LYS 16 HD1 LYS 16 -9.617 -2.590 -1.679 122 HE2 LYS 16 HE2 LYS 16 -11.425 -1.795 -2.944 123 HE3 LYS 16 HE1 LYS 16 -11.060 -0.498 -1.825 124 HZ1 LYS 16 HZ1 LYS 16 -10.328 -0.608 -4.721 125 HZ2 LYS 16 HZ2 LYS 16 -9.799 0.597 -3.726 126 HZ3 LYS 16 HZ3 LYS 16 -11.433 0.452 -4.040 127 H GLU 17 HN GLU 17 -7.881 3.272 -2.811 128 HA GLU 17 HA GLU 17 -6.176 3.402 -4.983 129 HB2 GLU 17 HB2 GLU 17 -8.024 5.470 -3.842 130 HB3 GLU 17 HB1 GLU 17 -7.101 5.718 -5.321 131 HG2 GLU 17 HG2 GLU 17 -8.139 3.699 -6.278 132 HG3 GLU 17 HG1 GLU 17 -9.117 3.542 -4.825 133 H GLN 18 HN GLN 18 -5.674 4.777 -1.726 134 HA GLN 18 HA GLN 18 -3.664 6.488 -2.622 135 HB2 GLN 18 HB2 GLN 18 -3.175 7.030 -0.330 136 HB3 GLN 18 HB1 GLN 18 -4.874 6.579 -0.365 137 HG2 GLN 18 HG2 GLN 18 -4.448 4.501 0.593 138 HG3 GLN 18 HG1 GLN 18 -2.706 4.719 0.450 139 HE21 GLN 18 HE21 GLN 18 -5.547 5.658 2.242 140 HE22 GLN 18 HE22 GLN 18 -4.691 6.401 3.551 141 H LEU 19 HN LEU 19 -3.708 3.385 -1.341 142 HA LEU 19 HA LEU 19 -0.976 2.809 -1.346 143 HB2 LEU 19 HB2 LEU 19 -3.483 1.280 -1.348 144 HB3 LEU 19 HB1 LEU 19 -1.952 0.473 -1.387 145 HG LEU 19 HG LEU 19 -2.976 2.336 0.795 146 HD11 LEU 19 HD11 LEU 19 -3.122 0.372 2.176 147 HD12 LEU 19 HD12 LEU 19 -2.568 -0.615 0.820 148 HD13 LEU 19 HD13 LEU 19 -4.118 0.225 0.721 149 HD21 LEU 19 HD21 LEU 19 -0.424 0.720 0.704 150 HD22 LEU 19 HD22 LEU 19 -1.019 1.631 2.091 151 HD23 LEU 19 HD23 LEU 19 -0.535 2.481 0.632 152 H THR 20 HN THR 20 -3.567 2.121 -3.629 153 HA THR 20 HA THR 20 -2.178 0.599 -5.470 154 HB THR 20 HB THR 20 -4.518 2.464 -5.735 155 HG1 THR 20 HG1 THR 20 -4.738 0.478 -4.565 156 HG21 THR 20 HG21 THR 20 -3.405 0.668 -7.923 157 HG22 THR 20 HG22 THR 20 -3.504 2.437 -7.911 158 HG23 THR 20 HG23 THR 20 -4.982 1.481 -7.966 159 H GLU 21 HN GLU 21 -2.731 4.129 -5.411 160 HA GLU 21 HA GLU 21 -1.495 4.672 -7.848 161 HB2 GLU 21 HB2 GLU 21 -3.084 6.033 -6.651 162 HB3 GLU 21 HB1 GLU 21 -1.909 6.382 -5.392 163 HG2 GLU 21 HG2 GLU 21 -2.033 8.288 -6.833 164 HG3 GLU 21 HG1 GLU 21 -0.498 7.482 -7.151 165 H SER 22 HN SER 22 -0.371 4.646 -4.571 166 HA SER 22 HA SER 22 2.245 5.663 -5.001 167 HB2 SER 22 HB2 SER 22 1.337 3.781 -2.804 168 HB3 SER 22 HB1 SER 22 2.762 4.821 -2.766 169 HG SER 22 HG SER 22 0.034 5.498 -2.641 170 H GLY 23 HN GLY 23 0.991 2.359 -4.774 171 HA2 GLY 23 HA2 GLY 23 3.430 0.982 -5.187 172 HA3 GLY 23 HA1 GLY 23 1.814 0.343 -5.445 173 H LYS 24 HN LYS 24 0.967 2.181 -7.393 174 HA LYS 24 HA LYS 24 1.909 1.020 -9.757 175 HB2 LYS 24 HB2 LYS 24 0.467 3.607 -9.266 176 HB3 LYS 24 HB1 LYS 24 0.740 2.910 -10.850 177 HG2 LYS 24 HG2 LYS 24 -0.631 1.334 -8.725 178 HG3 LYS 24 HG1 LYS 24 -1.548 2.549 -9.600 179 HD2 LYS 24 HD2 LYS 24 -0.132 0.088 -10.682 180 HD3 LYS 24 HD1 LYS 24 -1.876 0.339 -10.554 181 HE2 LYS 24 HE2 LYS 24 -1.478 2.371 -12.085 182 HE3 LYS 24 HE1 LYS 24 0.100 1.607 -12.356 183 HZ1 LYS 24 HZ1 LYS 24 -1.062 -0.368 -13.210 184 HZ2 LYS 24 HZ2 LYS 24 -1.441 1.019 -14.071 185 HZ3 LYS 24 HZ3 LYS 24 -2.539 0.426 -12.965 186 H LYS 25 HN LYS 25 2.858 3.965 -8.058 187 HA LYS 25 HA LYS 25 4.505 4.993 -10.119 188 HB2 LYS 25 HB2 LYS 25 4.413 5.535 -7.153 189 HB3 LYS 25 HB1 LYS 25 5.324 6.474 -8.325 190 HG2 LYS 25 HG2 LYS 25 3.323 7.268 -9.354 191 HG3 LYS 25 HG1 LYS 25 2.337 6.145 -8.414 192 HD2 LYS 25 HD2 LYS 25 2.174 8.355 -7.445 193 HD3 LYS 25 HD1 LYS 25 3.034 7.283 -6.351 194 HE2 LYS 25 HE2 LYS 25 4.158 9.405 -6.372 195 HE3 LYS 25 HE1 LYS 25 5.179 8.235 -7.192 196 HZ1 LYS 25 HZ1 LYS 25 3.406 10.198 -8.533 197 HZ2 LYS 25 HZ2 LYS 25 4.496 9.153 -9.317 198 HZ3 LYS 25 HZ3 LYS 25 5.052 10.377 -8.316 199 H ARG 26 HN ARG 26 4.966 3.076 -7.256 200 HA ARG 26 HA ARG 26 7.861 3.173 -7.348 201 HB2 ARG 26 HB2 ARG 26 6.117 1.296 -5.781 202 HB3 ARG 26 HB1 ARG 26 7.825 1.581 -5.537 203 HG2 ARG 26 HG2 ARG 26 7.323 3.852 -4.800 204 HG3 ARG 26 HG1 ARG 26 5.603 3.551 -5.071 205 HD2 ARG 26 HD2 ARG 26 5.728 1.625 -3.574 206 HD3 ARG 26 HD1 ARG 26 7.389 2.046 -3.170 207 HE ARG 26 HE ARG 26 5.770 4.249 -2.698 208 HH11 ARG 26 HH11 ARG 26 6.576 1.046 -1.340 209 HH12 ARG 26 HH12 ARG 26 5.655 1.258 0.068 210 HH21 ARG 26 HH21 ARG 26 4.608 4.566 -0.567 211 HH22 ARG 26 HH22 ARG 26 4.563 3.214 0.498 212 H GLY 27 HN GLY 27 5.359 0.789 -7.923 213 HA2 GLY 27 HA2 GLY 27 5.401 -0.889 -9.519 214 HA3 GLY 27 HA1 GLY 27 7.170 -0.907 -9.463 215 H VAL 28 HN VAL 28 5.809 -0.475 -6.425 216 HA VAL 28 HA VAL 28 5.438 -3.187 -5.716 217 HB VAL 28 HB VAL 28 7.874 -2.999 -6.141 218 HG11 VAL 28 HG11 VAL 28 7.894 -1.215 -3.747 219 HG12 VAL 28 HG12 VAL 28 8.349 -0.786 -5.395 220 HG13 VAL 28 HG13 VAL 28 9.324 -1.942 -4.477 221 HG21 VAL 28 HG21 VAL 28 7.036 -4.719 -4.817 222 HG22 VAL 28 HG22 VAL 28 7.027 -3.668 -3.391 223 HG23 VAL 28 HG23 VAL 28 8.575 -4.156 -4.137 224 H LEU 29 HN LEU 29 5.041 -3.395 -3.473 225 HA LEU 29 HA LEU 29 4.844 -1.025 -1.850 226 HB2 LEU 29 HB2 LEU 29 2.620 -2.747 -2.756 227 HB3 LEU 29 HB1 LEU 29 2.505 -2.091 -1.155 228 HG LEU 29 HG LEU 29 2.681 -0.555 -3.756 229 HD11 LEU 29 HD11 LEU 29 0.407 -0.936 -1.812 230 HD12 LEU 29 HD12 LEU 29 0.541 -1.677 -3.406 231 HD13 LEU 29 HD13 LEU 29 0.369 0.073 -3.258 232 HD21 LEU 29 HD21 LEU 29 2.200 1.432 -2.402 233 HD22 LEU 29 HD22 LEU 29 3.744 0.706 -1.969 234 HD23 LEU 29 HD23 LEU 29 2.331 0.459 -0.936 235 H THR 30 HN THR 30 5.042 -1.569 0.365 236 HA THR 30 HA THR 30 5.811 -4.250 1.010 237 HB THR 30 HB THR 30 5.932 -3.407 3.344 238 HG1 THR 30 HG1 THR 30 5.234 -0.871 2.235 239 HG21 THR 30 HG21 THR 30 7.865 -3.271 2.031 240 HG22 THR 30 HG22 THR 30 7.752 -1.796 3.014 241 HG23 THR 30 HG23 THR 30 7.353 -1.754 1.281 242 H TYR 31 HN TYR 31 4.675 -5.702 2.280 243 HA TYR 31 HA TYR 31 1.838 -5.759 2.119 244 HB2 TYR 31 HB2 TYR 31 3.562 -7.165 4.171 245 HB3 TYR 31 HB1 TYR 31 1.878 -7.512 3.850 246 HD1 TYR 31 HD1 TYR 31 5.055 -8.647 3.413 247 HD2 TYR 31 HD2 TYR 31 1.493 -8.059 1.180 248 HE1 TYR 31 HE1 TYR 31 5.750 -10.412 1.866 249 HE2 TYR 31 HE2 TYR 31 2.170 -9.814 -0.378 250 HH TYR 31 HH TYR 31 4.180 -10.987 -1.100 251 H GLU 32 HN GLU 32 4.053 -4.668 4.540 252 HA GLU 32 HA GLU 32 2.260 -4.458 6.651 253 HB2 GLU 32 HB2 GLU 32 4.674 -4.656 6.912 254 HB3 GLU 32 HB1 GLU 32 4.871 -3.022 6.303 255 HG2 GLU 32 HG2 GLU 32 3.768 -2.094 8.172 256 HG3 GLU 32 HG1 GLU 32 3.234 -3.679 8.728 257 H GLU 33 HN GLU 33 3.262 -1.957 4.267 258 HA GLU 33 HA GLU 33 1.940 0.085 5.786 259 HB2 GLU 33 HB2 GLU 33 2.420 1.584 3.971 260 HB3 GLU 33 HB1 GLU 33 3.817 0.555 4.198 261 HG2 GLU 33 HG2 GLU 33 2.995 -0.830 2.309 262 HG3 GLU 33 HG1 GLU 33 1.784 0.420 2.017 263 H ILE 34 HN ILE 34 1.093 -2.152 3.370 264 HA ILE 34 HA ILE 34 -1.322 -0.999 2.605 265 HB ILE 34 HB ILE 34 -0.342 -3.853 2.463 266 HG12 ILE 34 HG12 ILE 34 -0.601 -1.724 0.330 267 HG13 ILE 34 HG11 ILE 34 0.893 -2.107 1.177 268 HG21 ILE 34 HG21 ILE 34 -2.747 -2.535 1.257 269 HG22 ILE 34 HG22 ILE 34 -2.749 -3.819 2.471 270 HG23 ILE 34 HG23 ILE 34 -2.173 -4.154 0.819 271 HD11 ILE 34 HD11 ILE 34 0.916 -4.296 0.249 272 HD12 ILE 34 HD12 ILE 34 0.704 -3.130 -1.062 273 HD13 ILE 34 HD13 ILE 34 -0.674 -4.060 -0.468 274 H ALA 35 HN ALA 35 -0.421 -3.281 5.183 275 HA ALA 35 HA ALA 35 -3.038 -3.842 5.997 276 HB1 ALA 35 HB1 ALA 35 -1.186 -5.365 6.457 277 HB2 ALA 35 HB2 ALA 35 -1.940 -4.840 7.963 278 HB3 ALA 35 HB3 ALA 35 -0.407 -4.139 7.455 279 H GLU 36 HN GLU 36 -0.553 -1.499 6.695 280 HA GLU 36 HA GLU 36 -1.331 -0.516 9.164 281 HB2 GLU 36 HB2 GLU 36 0.916 -0.331 8.153 282 HB3 GLU 36 HB1 GLU 36 0.257 0.700 6.907 283 HG2 GLU 36 HG2 GLU 36 -0.017 1.608 9.717 284 HG3 GLU 36 HG1 GLU 36 1.590 1.624 9.004 285 H ARG 37 HN ARG 37 -2.084 0.715 5.864 286 HA ARG 37 HA ARG 37 -3.707 2.769 6.904 287 HB2 ARG 37 HB2 ARG 37 -3.653 1.534 4.148 288 HB3 ARG 37 HB1 ARG 37 -4.366 3.083 4.583 289 HG2 ARG 37 HG2 ARG 37 -1.480 2.371 4.781 290 HG3 ARG 37 HG1 ARG 37 -2.204 3.329 3.495 291 HD2 ARG 37 HD2 ARG 37 -2.699 5.130 4.894 292 HD3 ARG 37 HD1 ARG 37 -2.576 4.147 6.346 293 HE ARG 37 HE ARG 37 -0.170 4.081 5.973 294 HH11 ARG 37 HH11 ARG 37 -1.870 6.726 4.305 295 HH12 ARG 37 HH12 ARG 37 -0.637 7.857 4.736 296 HH21 ARG 37 HH21 ARG 37 1.424 5.687 6.442 297 HH22 ARG 37 HH22 ARG 37 1.150 7.308 5.892 298 H MET 38 HN MET 38 -4.266 -0.560 6.130 299 HA MET 38 HA MET 38 -7.117 -0.170 6.135 300 HB2 MET 38 HB2 MET 38 -5.594 -2.780 6.071 301 HB3 MET 38 HB1 MET 38 -7.309 -2.562 5.801 302 HG2 MET 38 HG2 MET 38 -5.096 -1.508 4.082 303 HG3 MET 38 HG1 MET 38 -6.181 -2.847 3.712 304 HE1 MET 38 HE1 MET 38 -5.643 -0.539 1.726 305 HE2 MET 38 HE2 MET 38 -7.263 -0.119 1.166 306 HE3 MET 38 HE3 MET 38 -6.815 -1.812 1.379 307 H SER 39 HN SER 39 -4.933 -0.145 8.480 308 HA SER 39 HA SER 39 -6.229 -1.761 10.444 309 HB2 SER 39 HB2 SER 39 -3.747 -1.101 10.368 310 HB3 SER 39 HB1 SER 39 -4.263 0.491 10.907 311 HG SER 39 HG SER 39 -4.305 -1.964 12.198 312 H SER 40 HN SER 40 -6.781 1.278 9.039 313 HA SER 40 HA SER 40 -8.243 2.526 11.143 314 HB2 SER 40 HB2 SER 40 -7.427 3.818 9.205 315 HB3 SER 40 HB1 SER 40 -8.389 2.809 8.127 316 HG SER 40 HG SER 40 -9.474 4.440 10.179 317 H PHE 41 HN PHE 41 -8.843 0.306 8.592 318 HA PHE 41 HA PHE 41 -11.701 -0.020 9.182 319 HB2 PHE 41 HB2 PHE 41 -9.954 -1.228 7.078 320 HB3 PHE 41 HB1 PHE 41 -11.725 -1.188 7.069 321 HD1 PHE 41 HD1 PHE 41 -8.980 0.038 5.556 322 HD2 PHE 41 HD2 PHE 41 -12.503 1.442 7.438 323 HE1 PHE 41 HE1 PHE 41 -8.760 2.143 4.357 324 HE2 PHE 41 HE2 PHE 41 -12.314 3.570 6.220 325 HZ PHE 41 HZ PHE 41 -10.427 3.922 4.684 326 H GLU 42 HN GLU 42 -12.090 -2.407 8.582 327 HA GLU 42 HA GLU 42 -10.826 -3.953 10.729 328 HB2 GLU 42 HB2 GLU 42 -13.071 -5.035 10.858 329 HB3 GLU 42 HB1 GLU 42 -13.083 -3.326 11.253 330 HG2 GLU 42 HG2 GLU 42 -13.759 -4.319 8.520 331 HG3 GLU 42 HG1 GLU 42 -14.995 -4.201 9.784 332 H ILE 43 HN ILE 43 -9.889 -3.804 8.115 333 HA ILE 43 HA ILE 43 -10.897 -5.876 6.449 334 HB ILE 43 HB ILE 43 -8.150 -4.671 6.278 335 HG12 ILE 43 HG12 ILE 43 -9.759 -2.906 6.325 336 HG13 ILE 43 HG11 ILE 43 -9.145 -3.066 4.682 337 HG21 ILE 43 HG21 ILE 43 -8.520 -6.692 4.922 338 HG22 ILE 43 HG22 ILE 43 -8.239 -5.251 3.942 339 HG23 ILE 43 HG23 ILE 43 -9.875 -5.873 4.132 340 HD11 ILE 43 HD11 ILE 43 -11.511 -2.673 4.646 341 HD12 ILE 43 HD12 ILE 43 -11.791 -4.039 5.733 342 HD13 ILE 43 HD13 ILE 43 -11.172 -4.317 4.098 343 H GLU 44 HN GLU 44 -10.707 -7.822 6.662 344 HA GLU 44 HA GLU 44 -8.894 -9.185 8.419 345 HB2 GLU 44 HB2 GLU 44 -10.930 -10.189 6.443 346 HB3 GLU 44 HB1 GLU 44 -10.120 -11.171 7.660 347 HG2 GLU 44 HG2 GLU 44 -11.820 -8.790 8.303 348 HG3 GLU 44 HG1 GLU 44 -12.438 -10.436 8.226 349 H SER 45 HN SER 45 -7.662 -11.072 7.588 350 HA SER 45 HA SER 45 -5.801 -10.355 5.662 351 HB2 SER 45 HB2 SER 45 -5.412 -11.981 7.494 352 HB3 SER 45 HB1 SER 45 -6.465 -13.125 6.675 353 HG SER 45 HG SER 45 -4.162 -13.340 6.381 354 H ASP 46 HN ASP 46 -8.733 -12.294 5.417 355 HA ASP 46 HA ASP 46 -8.426 -13.390 2.858 356 HB2 ASP 46 HB2 ASP 46 -11.009 -12.384 4.056 357 HB3 ASP 46 HB1 ASP 46 -10.838 -13.606 2.808 358 H GLN 47 HN GLN 47 -9.656 -10.299 3.921 359 HA GLN 47 HA GLN 47 -10.405 -9.474 1.274 360 HB2 GLN 47 HB2 GLN 47 -10.225 -7.853 3.786 361 HB3 GLN 47 HB1 GLN 47 -11.037 -7.368 2.297 362 HG2 GLN 47 HG2 GLN 47 -12.488 -9.411 2.608 363 HG3 GLN 47 HG1 GLN 47 -11.807 -9.538 4.224 364 HE21 GLN 47 HE21 GLN 47 -11.628 -6.551 4.357 365 HE22 GLN 47 HE22 GLN 47 -13.252 -6.054 4.649 366 H MET 48 HN MET 48 -7.709 -9.040 3.443 367 HA MET 48 HA MET 48 -6.411 -7.077 1.926 368 HB2 MET 48 HB2 MET 48 -5.373 -9.064 3.928 369 HB3 MET 48 HB1 MET 48 -4.258 -8.069 3.014 370 HG2 MET 48 HG2 MET 48 -6.484 -6.835 4.596 371 HG3 MET 48 HG1 MET 48 -4.982 -7.316 5.367 372 HE1 MET 48 HE1 MET 48 -5.257 -3.935 2.171 373 HE2 MET 48 HE2 MET 48 -6.614 -4.989 2.589 374 HE3 MET 48 HE3 MET 48 -5.243 -5.604 1.653 375 H ASP 49 HN ASP 49 -6.202 -10.593 1.907 376 HA ASP 49 HA ASP 49 -4.306 -11.056 -0.078 377 HB2 ASP 49 HB2 ASP 49 -5.339 -12.818 1.278 378 HB3 ASP 49 HB1 ASP 49 -6.863 -12.563 0.448 379 H GLU 50 HN GLU 50 -7.702 -10.408 -0.345 380 HA GLU 50 HA GLU 50 -8.090 -10.720 -3.061 381 HB2 GLU 50 HB2 GLU 50 -9.792 -10.318 -1.232 382 HB3 GLU 50 HB1 GLU 50 -9.383 -8.617 -1.329 383 HG2 GLU 50 HG2 GLU 50 -11.399 -9.045 -2.568 384 HG3 GLU 50 HG1 GLU 50 -10.102 -8.596 -3.678 385 H TYR 51 HN TYR 51 -7.096 -7.934 -1.164 386 HA TYR 51 HA TYR 51 -6.923 -6.113 -3.331 387 HB2 TYR 51 HB2 TYR 51 -7.294 -5.391 -1.006 388 HB3 TYR 51 HB1 TYR 51 -5.686 -5.949 -0.589 389 HD1 TYR 51 HD1 TYR 51 -4.420 -4.097 -0.073 390 HD2 TYR 51 HD2 TYR 51 -6.871 -3.987 -3.550 391 HE1 TYR 51 HE1 TYR 51 -3.446 -1.937 -0.705 392 HE2 TYR 51 HE2 TYR 51 -5.913 -1.828 -4.152 393 HH TYR 51 HH TYR 51 -3.128 -0.654 -2.729 394 H TYR 52 HN TYR 52 -4.627 -8.303 -1.781 395 HA TYR 52 HA TYR 52 -2.303 -7.186 -2.881 396 HB2 TYR 52 HB2 TYR 52 -2.880 -9.940 -1.799 397 HB3 TYR 52 HB1 TYR 52 -1.303 -9.513 -2.454 398 HD1 TYR 52 HD1 TYR 52 -2.967 -9.871 0.540 399 HD2 TYR 52 HD2 TYR 52 -0.517 -7.048 -1.488 400 HE1 TYR 52 HE1 TYR 52 -2.347 -8.861 2.697 401 HE2 TYR 52 HE2 TYR 52 0.086 -6.049 0.666 402 HH TYR 52 HH TYR 52 -0.766 -5.890 2.988 403 H GLU 53 HN GLU 53 -4.396 -9.792 -4.074 404 HA GLU 53 HA GLU 53 -2.912 -10.274 -6.396 405 HB2 GLU 53 HB2 GLU 53 -4.726 -11.711 -5.350 406 HB3 GLU 53 HB1 GLU 53 -5.893 -10.614 -6.070 407 HG2 GLU 53 HG2 GLU 53 -5.583 -12.631 -7.406 408 HG3 GLU 53 HG1 GLU 53 -5.101 -11.178 -8.286 409 H PHE 54 HN PHE 54 -5.483 -7.995 -5.641 410 HA PHE 54 HA PHE 54 -6.076 -7.014 -8.176 411 HB2 PHE 54 HB2 PHE 54 -7.529 -6.412 -6.400 412 HB3 PHE 54 HB1 PHE 54 -6.203 -5.808 -5.420 413 HD1 PHE 54 HD1 PHE 54 -8.301 -5.085 -8.360 414 HD2 PHE 54 HD2 PHE 54 -5.451 -3.631 -5.594 415 HE1 PHE 54 HE1 PHE 54 -8.679 -2.781 -9.178 416 HE2 PHE 54 HE2 PHE 54 -5.812 -1.335 -6.390 417 HZ PHE 54 HZ PHE 54 -7.398 -0.906 -8.164 418 H LEU 55 HN LEU 55 -3.791 -5.809 -5.779 419 HA LEU 55 HA LEU 55 -2.681 -3.732 -7.226 420 HB2 LEU 55 HB2 LEU 55 -1.508 -5.520 -5.132 421 HB3 LEU 55 HB1 LEU 55 -0.623 -4.161 -5.778 422 HG LEU 55 HG LEU 55 -3.291 -3.929 -4.411 423 HD11 LEU 55 HD11 LEU 55 -1.979 -3.075 -2.528 424 HD12 LEU 55 HD12 LEU 55 -0.490 -3.489 -3.387 425 HD13 LEU 55 HD13 LEU 55 -1.602 -4.757 -2.882 426 HD21 LEU 55 HD21 LEU 55 -1.220 -1.884 -5.215 427 HD22 LEU 55 HD22 LEU 55 -2.708 -1.554 -4.328 428 HD23 LEU 55 HD23 LEU 55 -2.787 -2.118 -5.990 429 H GLY 56 HN GLY 56 -1.755 -7.099 -7.077 430 HA2 GLY 56 HA2 GLY 56 0.526 -7.034 -8.650 431 HA3 GLY 56 HA1 GLY 56 -0.533 -8.434 -8.488 432 H GLU 57 HN GLU 57 -2.859 -7.388 -9.600 433 HA GLU 57 HA GLU 57 -2.434 -7.739 -12.307 434 HB2 GLU 57 HB2 GLU 57 -4.729 -6.647 -10.756 435 HB3 GLU 57 HB1 GLU 57 -4.768 -6.921 -12.485 436 HG2 GLU 57 HG2 GLU 57 -4.270 -9.295 -12.086 437 HG3 GLU 57 HG1 GLU 57 -4.324 -8.982 -10.350 438 H GLN 58 HN GLN 58 -2.796 -4.763 -10.422 439 HA GLN 58 HA GLN 58 -3.096 -3.084 -12.699 440 HB2 GLN 58 HB2 GLN 58 -2.370 -2.327 -9.861 441 HB3 GLN 58 HB1 GLN 58 -2.968 -1.245 -11.110 442 HG2 GLN 58 HG2 GLN 58 -4.507 -3.554 -9.940 443 HG3 GLN 58 HG1 GLN 58 -4.693 -1.863 -9.481 444 HE21 GLN 58 HE21 GLN 58 -6.586 -3.827 -10.682 445 HE22 GLN 58 HE22 GLN 58 -7.207 -3.001 -12.059 446 H GLY 59 HN GLY 59 -0.434 -3.891 -10.564 447 HA2 GLY 59 HA2 GLY 59 1.613 -4.247 -12.103 448 HA3 GLY 59 HA1 GLY 59 1.374 -2.535 -12.431 449 H VAL 60 HN VAL 60 1.174 -4.411 -9.440 450 HA VAL 60 HA VAL 60 3.333 -2.770 -8.341 451 HB VAL 60 HB VAL 60 0.780 -3.530 -6.919 452 HG11 VAL 60 HG11 VAL 60 1.582 -2.062 -5.140 453 HG12 VAL 60 HG12 VAL 60 3.066 -1.794 -6.049 454 HG13 VAL 60 HG13 VAL 60 2.677 -3.408 -5.459 455 HG21 VAL 60 HG21 VAL 60 0.196 -1.134 -6.947 456 HG22 VAL 60 HG22 VAL 60 0.299 -1.810 -8.579 457 HG23 VAL 60 HG23 VAL 60 1.618 -0.831 -7.948 458 H GLU 61 HN GLU 61 4.857 -4.116 -7.576 459 HA GLU 61 HA GLU 61 4.163 -6.855 -7.002 460 HB2 GLU 61 HB2 GLU 61 6.749 -5.357 -7.064 461 HB3 GLU 61 HB1 GLU 61 6.649 -7.011 -6.467 462 HG2 GLU 61 HG2 GLU 61 5.637 -7.643 -8.598 463 HG3 GLU 61 HG1 GLU 61 5.940 -6.019 -9.207 464 H LEU 62 HN LEU 62 5.062 -7.816 -4.952 465 HA LEU 62 HA LEU 62 4.455 -5.935 -2.798 466 HB2 LEU 62 HB2 LEU 62 3.651 -8.806 -3.094 467 HB3 LEU 62 HB1 LEU 62 3.421 -7.857 -1.641 468 HG LEU 62 HG LEU 62 2.122 -7.186 -4.313 469 HD11 LEU 62 HD11 LEU 62 1.368 -9.258 -3.564 470 HD12 LEU 62 HD12 LEU 62 0.132 -8.011 -3.412 471 HD13 LEU 62 HD13 LEU 62 0.991 -8.588 -1.976 472 HD21 LEU 62 HD21 LEU 62 1.694 -6.093 -1.530 473 HD22 LEU 62 HD22 LEU 62 0.763 -5.688 -2.972 474 HD23 LEU 62 HD23 LEU 62 2.455 -5.230 -2.867 475 H ILE 63 HN ILE 63 6.067 -5.602 -1.569 476 HA ILE 63 HA ILE 63 7.997 -7.748 -1.003 477 HB ILE 63 HB ILE 63 9.401 -5.913 -0.034 478 HG12 ILE 63 HG12 ILE 63 7.389 -4.115 -1.377 479 HG13 ILE 63 HG11 ILE 63 7.645 -4.305 0.351 480 HG21 ILE 63 HG21 ILE 63 8.723 -5.748 -2.930 481 HG22 ILE 63 HG22 ILE 63 10.009 -6.731 -2.143 482 HG23 ILE 63 HG23 ILE 63 10.112 -4.972 -2.163 483 HD11 ILE 63 HD11 ILE 63 8.661 -2.273 -0.532 484 HD12 ILE 63 HD12 ILE 63 9.685 -3.260 -1.585 485 HD13 ILE 63 HD13 ILE 63 9.836 -3.381 0.170 486 H SER 64 HN SER 64 8.930 -7.425 1.298 487 HA SER 64 HA SER 64 6.800 -7.814 3.137 488 HB2 SER 64 HB2 SER 64 8.951 -9.048 3.147 489 HB3 SER 64 HB1 SER 64 9.763 -7.578 3.596 490 HG SER 64 HG SER 64 8.989 -9.193 5.283 491 H GLU 65 HN GLU 65 9.560 -5.876 3.693 492 HA GLU 65 HA GLU 65 8.795 -3.285 3.830 493 HB2 GLU 65 HB2 GLU 65 7.005 -4.070 5.466 494 HB3 GLU 65 HB1 GLU 65 8.288 -4.572 6.549 495 HG2 GLU 65 HG2 GLU 65 7.966 -1.740 5.623 496 HG3 GLU 65 HG1 GLU 65 7.124 -2.354 7.038 497 H ASN 66 HN ASN 66 10.262 -5.902 5.560 498 HA ASN 66 HA ASN 66 12.519 -4.431 6.519 499 HB2 ASN 66 HB2 ASN 66 11.558 -6.442 7.616 500 HB3 ASN 66 HB1 ASN 66 12.108 -7.424 6.269 501 HD21 ASN 66 HD21 ASN 66 13.048 -5.585 9.065 502 HD22 ASN 66 HD22 ASN 66 14.637 -6.264 9.202 503 H GLU 67 HN GLU 67 11.900 -4.635 3.548 504 HA GLU 67 HA GLU 67 14.633 -5.091 2.680 505 HB2 GLU 67 HB2 GLU 67 13.906 -6.313 0.719 506 HB3 GLU 67 HB1 GLU 67 13.178 -7.130 2.118 507 HG2 GLU 67 HG2 GLU 67 11.171 -5.685 1.581 508 HG3 GLU 67 HG1 GLU 67 12.073 -5.303 0.094 509 H GLU 68 HN GLU 68 14.612 -4.231 0.299 510 HA GLU 68 HA GLU 68 14.572 -2.623 -0.972 511 HB2 GLU 68 HB2 GLU 68 11.724 -2.792 -0.328 512 HB3 GLU 68 HB1 GLU 68 12.231 -1.485 -1.403 513 HG2 GLU 68 HG2 GLU 68 12.632 -4.452 -1.804 514 HG3 GLU 68 HG1 GLU 68 11.564 -3.389 -2.723 515 H THR 69 HN THR 69 13.298 -0.063 -1.073 516 HA THR 69 HA THR 69 13.489 1.187 1.474 517 HB THR 69 HB THR 69 15.875 0.874 0.971 518 HG1 THR 69 HG1 THR 69 16.029 2.640 1.987 519 HG21 THR 69 HG21 THR 69 15.320 2.450 -1.535 520 HG22 THR 69 HG22 THR 69 15.838 0.769 -1.433 521 HG23 THR 69 HG23 THR 69 16.933 2.064 -0.937 522 H GLU 70 HN GLU 70 11.563 0.942 -0.674 523 HA GLU 70 HA GLU 70 11.432 3.667 -1.632 524 HB2 GLU 70 HB2 GLU 70 9.271 2.660 -2.792 525 HB3 GLU 70 HB1 GLU 70 10.860 2.424 -3.479 526 HG2 GLU 70 HG2 GLU 70 9.624 0.342 -3.526 527 HG3 GLU 70 HG1 GLU 70 10.997 0.245 -2.416 528 H ASP 71 HN ASP 71 10.160 1.701 0.713 529 HA ASP 71 HA ASP 71 7.921 3.144 1.544 530 HB2 ASP 71 HB2 ASP 71 8.587 0.988 2.371 531 HB3 ASP 71 HB1 ASP 71 9.990 1.673 3.148 532 H LEU 72 HN LEU 72 11.120 3.701 1.723 533 HA LEU 72 HA LEU 72 10.991 5.820 3.716 534 HB2 LEU 72 HB2 LEU 72 13.342 4.760 2.178 535 HB3 LEU 72 HB1 LEU 72 13.435 5.986 3.427 536 HG LEU 72 HG LEU 72 12.575 3.119 3.822 537 HD11 LEU 72 HD11 LEU 72 14.947 3.359 3.393 538 HD12 LEU 72 HD12 LEU 72 14.648 2.914 5.071 539 HD13 LEU 72 HD13 LEU 72 15.071 4.576 4.662 540 HD21 LEU 72 HD21 LEU 72 12.644 3.674 6.228 541 HD22 LEU 72 HD22 LEU 72 11.395 4.565 5.371 542 HD23 LEU 72 HD23 LEU 72 12.903 5.370 5.815 543 H GLU 73 HN GLU 73 10.245 5.721 0.566 544 HA GLU 73 HA GLU 73 11.458 8.291 -0.096 545 HB2 GLU 73 HB2 GLU 73 10.057 6.234 -1.780 546 HB3 GLU 73 HB1 GLU 73 10.421 7.847 -2.377 547 HG2 GLU 73 HG2 GLU 73 12.459 5.904 -1.332 548 HG3 GLU 73 HG1 GLU 73 12.077 6.149 -3.038 549 H HIS 74 HN HIS 74 8.219 6.768 -0.219 550 HA HIS 74 HA HIS 74 7.155 9.480 0.094 551 HB2 HIS 74 HB2 HIS 74 6.078 7.285 -1.667 552 HB3 HIS 74 HB1 HIS 74 5.155 8.718 -1.239 553 HD1 HIS 74 HD1 HIS 74 5.852 10.946 -2.402 554 HD2 HIS 74 HD2 HIS 74 8.105 7.653 -3.541 555 HE1 HIS 74 HE1 HIS 74 7.113 11.646 -4.467 556 H HIS 75 HN HIS 75 6.361 9.674 2.012 557 HA HIS 75 HA HIS 75 4.481 7.640 2.931 558 HB2 HIS 75 HB2 HIS 75 6.549 7.440 4.280 559 HB3 HIS 75 HB1 HIS 75 6.463 9.155 4.668 560 HD1 HIS 75 HD1 HIS 75 5.383 9.625 6.909 561 HD2 HIS 75 HD2 HIS 75 4.100 6.035 5.243 562 HE1 HIS 75 HE1 HIS 75 3.787 8.613 8.565 563 H HIS 76 HN HIS 76 2.567 8.450 3.559 564 HA HIS 76 HA HIS 76 2.300 11.347 3.759 565 HB2 HIS 76 HB2 HIS 76 0.380 9.356 2.502 566 HB3 HIS 76 HB1 HIS 76 0.020 11.052 2.781 567 HD1 HIS 76 HD1 HIS 76 1.664 8.764 0.359 568 HD2 HIS 76 HD2 HIS 76 1.498 12.848 1.130 569 HE1 HIS 76 HE1 HIS 76 2.530 9.905 -1.703 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -4.184 11.165 6.559 2 H2 ALA 1 HT2 ALA 1 -5.103 10.314 5.476 3 H3 ALA 1 HT3 ALA 1 -5.832 10.947 6.882 4 HA ALA 1 HA ALA 1 -6.396 12.300 4.968 5 HB1 ALA 1 HB1 ALA 1 -6.070 13.436 7.127 6 HB2 ALA 1 HB2 ALA 1 -5.592 14.453 5.768 7 HB3 ALA 1 HB3 ALA 1 -4.360 13.653 6.744 8 H ASP 2 HN ASP 2 -5.793 12.300 2.901 9 HA ASP 2 HA ASP 2 -3.277 13.257 2.113 10 HB2 ASP 2 HB2 ASP 2 -2.501 11.067 0.995 11 HB3 ASP 2 HB1 ASP 2 -2.307 11.178 2.737 12 H LYS 3 HN LYS 3 -4.943 10.686 0.377 13 HA LYS 3 HA LYS 3 -5.334 12.316 -1.909 14 HB2 LYS 3 HB2 LYS 3 -5.056 9.896 -2.107 15 HB3 LYS 3 HB1 LYS 3 -6.519 9.630 -1.169 16 HG2 LYS 3 HG2 LYS 3 -7.839 10.664 -2.950 17 HG3 LYS 3 HG1 LYS 3 -6.361 10.932 -3.876 18 HD2 LYS 3 HD2 LYS 3 -5.983 8.544 -4.035 19 HD3 LYS 3 HD1 LYS 3 -7.376 8.229 -3.008 20 HE2 LYS 3 HE2 LYS 3 -7.924 7.870 -5.363 21 HE3 LYS 3 HE1 LYS 3 -8.854 9.197 -4.675 22 HZ1 LYS 3 HZ1 LYS 3 -8.043 9.723 -6.875 23 HZ2 LYS 3 HZ2 LYS 3 -6.448 9.482 -6.397 24 HZ3 LYS 3 HZ3 LYS 3 -7.335 10.760 -5.750 25 H GLN 4 HN GLN 4 -7.634 10.892 0.372 26 HA GLN 4 HA GLN 4 -9.631 12.839 -0.517 27 HB2 GLN 4 HB2 GLN 4 -10.148 10.306 -0.196 28 HB3 GLN 4 HB1 GLN 4 -10.087 10.665 1.524 29 HG2 GLN 4 HG2 GLN 4 -11.828 12.402 1.135 30 HG3 GLN 4 HG1 GLN 4 -11.962 11.810 -0.516 31 HE21 GLN 4 HE21 GLN 4 -14.054 11.175 -0.273 32 HE22 GLN 4 HE22 GLN 4 -14.518 9.810 0.661 33 H THR 5 HN THR 5 -10.284 14.438 0.605 34 HA THR 5 HA THR 5 -8.991 14.821 3.208 35 HB THR 5 HB THR 5 -9.347 17.145 1.353 36 HG1 THR 5 HG1 THR 5 -7.838 14.874 0.850 37 HG21 THR 5 HG21 THR 5 -7.245 17.782 2.383 38 HG22 THR 5 HG22 THR 5 -7.173 16.187 3.154 39 HG23 THR 5 HG23 THR 5 -8.437 17.342 3.630 40 H HIS 6 HN HIS 6 -11.724 13.963 2.642 41 HA HIS 6 HA HIS 6 -13.387 16.320 3.077 42 HB2 HIS 6 HB2 HIS 6 -14.116 13.371 2.951 43 HB3 HIS 6 HB1 HIS 6 -15.279 14.667 3.187 44 HD1 HIS 6 HD1 HIS 6 -16.545 14.979 1.020 45 HD2 HIS 6 HD2 HIS 6 -12.525 14.164 0.383 46 HE1 HIS 6 HE1 HIS 6 -16.206 15.026 -1.457 47 H GLU 7 HN GLU 7 -11.909 13.764 4.708 48 HA GLU 7 HA GLU 7 -12.438 14.944 7.302 49 HB2 GLU 7 HB2 GLU 7 -12.682 11.993 6.619 50 HB3 GLU 7 HB1 GLU 7 -12.608 12.616 8.244 51 HG2 GLU 7 HG2 GLU 7 -14.713 13.813 7.885 52 HG3 GLU 7 HG1 GLU 7 -14.790 13.159 6.245 53 H THR 8 HN THR 8 -10.788 13.581 8.828 54 HA THR 8 HA THR 8 -8.215 13.764 7.539 55 HB THR 8 HB THR 8 -8.723 12.630 10.284 56 HG1 THR 8 HG1 THR 8 -9.125 14.599 11.070 57 HG21 THR 8 HG21 THR 8 -6.611 13.781 10.820 58 HG22 THR 8 HG22 THR 8 -6.539 14.415 9.176 59 HG23 THR 8 HG23 THR 8 -6.393 12.683 9.457 60 H GLU 9 HN GLU 9 -10.470 11.580 7.823 61 HA GLU 9 HA GLU 9 -8.647 9.329 7.386 62 HB2 GLU 9 HB2 GLU 9 -10.459 7.889 8.208 63 HB3 GLU 9 HB1 GLU 9 -9.917 9.090 9.387 64 HG2 GLU 9 HG2 GLU 9 -11.859 10.487 8.851 65 HG3 GLU 9 HG1 GLU 9 -12.432 9.250 7.737 66 H LEU 10 HN LEU 10 -9.562 7.672 5.909 67 HA LEU 10 HA LEU 10 -11.158 8.936 3.793 68 HB2 LEU 10 HB2 LEU 10 -9.108 6.893 3.113 69 HB3 LEU 10 HB1 LEU 10 -9.773 8.197 2.159 70 HG LEU 10 HG LEU 10 -8.329 9.747 3.696 71 HD11 LEU 10 HD11 LEU 10 -6.314 8.671 4.556 72 HD12 LEU 10 HD12 LEU 10 -6.953 7.100 4.062 73 HD13 LEU 10 HD13 LEU 10 -7.770 8.015 5.325 74 HD21 LEU 10 HD21 LEU 10 -7.944 9.349 1.306 75 HD22 LEU 10 HD22 LEU 10 -7.068 7.866 1.731 76 HD23 LEU 10 HD23 LEU 10 -6.427 9.424 2.216 77 H THR 11 HN THR 11 -11.755 6.991 2.242 78 HA THR 11 HA THR 11 -12.949 4.975 3.990 79 HB THR 11 HB THR 11 -14.470 4.492 2.140 80 HG1 THR 11 HG1 THR 11 -14.223 5.880 0.216 81 HG21 THR 11 HG21 THR 11 -15.602 6.653 1.894 82 HG22 THR 11 HG22 THR 11 -14.140 7.474 2.444 83 HG23 THR 11 HG23 THR 11 -15.038 6.434 3.559 84 H PHE 12 HN PHE 12 -13.294 2.825 2.782 85 HA PHE 12 HA PHE 12 -10.743 1.713 2.619 86 HB2 PHE 12 HB2 PHE 12 -12.677 0.443 3.410 87 HB3 PHE 12 HB1 PHE 12 -13.411 0.541 1.818 88 HD1 PHE 12 HD1 PHE 12 -10.018 -0.387 3.095 89 HD2 PHE 12 HD2 PHE 12 -13.401 -1.470 0.762 90 HE1 PHE 12 HE1 PHE 12 -8.912 -2.449 2.476 91 HE2 PHE 12 HE2 PHE 12 -12.295 -3.557 0.136 92 HZ PHE 12 HZ PHE 12 -10.019 -4.057 0.999 93 H ASP 13 HN ASP 13 -13.115 2.566 0.245 94 HA ASP 13 HA ASP 13 -11.753 1.813 -2.077 95 HB2 ASP 13 HB2 ASP 13 -13.745 4.038 -1.638 96 HB3 ASP 13 HB1 ASP 13 -13.030 3.749 -3.212 97 H GLN 14 HN GLN 14 -11.494 4.645 -0.133 98 HA GLN 14 HA GLN 14 -9.878 6.088 -2.047 99 HB2 GLN 14 HB2 GLN 14 -10.354 6.669 0.866 100 HB3 GLN 14 HB1 GLN 14 -9.449 7.694 -0.256 101 HG2 GLN 14 HG2 GLN 14 -12.358 6.996 -0.454 102 HG3 GLN 14 HG1 GLN 14 -11.670 8.536 0.061 103 HE21 GLN 14 HE21 GLN 14 -12.374 6.473 -2.572 104 HE22 GLN 14 HE22 GLN 14 -11.925 7.591 -3.801 105 H VAL 15 HN VAL 15 -9.334 4.094 0.703 106 HA VAL 15 HA VAL 15 -6.600 4.783 0.875 107 HB VAL 15 HB VAL 15 -8.190 2.579 2.215 108 HG11 VAL 15 HG11 VAL 15 -5.289 3.414 2.443 109 HG12 VAL 15 HG12 VAL 15 -5.843 1.896 1.777 110 HG13 VAL 15 HG13 VAL 15 -6.043 2.217 3.518 111 HG21 VAL 15 HG21 VAL 15 -6.876 5.098 3.247 112 HG22 VAL 15 HG22 VAL 15 -7.670 3.873 4.237 113 HG23 VAL 15 HG23 VAL 15 -8.611 4.800 3.070 114 H LYS 16 HN LYS 16 -8.486 2.006 -0.503 115 HA LYS 16 HA LYS 16 -6.381 0.670 -1.478 116 HB2 LYS 16 HB2 LYS 16 -9.202 1.062 -2.179 117 HB3 LYS 16 HB1 LYS 16 -8.219 0.275 -3.377 118 HG2 LYS 16 HG2 LYS 16 -7.544 -1.341 -1.505 119 HG3 LYS 16 HG1 LYS 16 -8.811 -0.594 -0.534 120 HD2 LYS 16 HD2 LYS 16 -9.181 -2.049 -3.164 121 HD3 LYS 16 HD1 LYS 16 -9.594 -2.662 -1.566 122 HE2 LYS 16 HE2 LYS 16 -11.218 -0.805 -1.318 123 HE3 LYS 16 HE1 LYS 16 -10.840 -0.288 -2.951 124 HZ1 LYS 16 HZ1 LYS 16 -12.830 -1.631 -2.877 125 HZ2 LYS 16 HZ2 LYS 16 -11.996 -2.914 -2.193 126 HZ3 LYS 16 HZ3 LYS 16 -11.656 -2.440 -3.772 127 H GLU 17 HN GLU 17 -8.113 3.396 -2.965 128 HA GLU 17 HA GLU 17 -6.465 3.397 -5.220 129 HB2 GLU 17 HB2 GLU 17 -8.061 5.662 -4.035 130 HB3 GLU 17 HB1 GLU 17 -7.223 5.742 -5.578 131 HG2 GLU 17 HG2 GLU 17 -8.580 3.837 -6.363 132 HG3 GLU 17 HG1 GLU 17 -9.471 3.885 -4.843 133 H GLN 18 HN GLN 18 -5.830 4.770 -1.995 134 HA GLN 18 HA GLN 18 -3.789 6.445 -2.929 135 HB2 GLN 18 HB2 GLN 18 -3.308 7.020 -0.676 136 HB3 GLN 18 HB1 GLN 18 -4.999 6.564 -0.648 137 HG2 GLN 18 HG2 GLN 18 -4.381 4.378 0.232 138 HG3 GLN 18 HG1 GLN 18 -2.691 4.870 0.217 139 HE21 GLN 18 HE21 GLN 18 -5.303 6.984 1.087 140 HE22 GLN 18 HE22 GLN 18 -4.866 7.177 2.723 141 H LEU 19 HN LEU 19 -3.895 3.347 -1.573 142 HA LEU 19 HA LEU 19 -1.160 2.783 -1.593 143 HB2 LEU 19 HB2 LEU 19 -3.665 1.279 -1.428 144 HB3 LEU 19 HB1 LEU 19 -2.150 0.445 -1.522 145 HG LEU 19 HG LEU 19 -3.032 2.400 0.649 146 HD11 LEU 19 HD11 LEU 19 -4.174 0.296 0.747 147 HD12 LEU 19 HD12 LEU 19 -3.060 0.471 2.113 148 HD13 LEU 19 HD13 LEU 19 -2.632 -0.554 0.734 149 HD21 LEU 19 HD21 LEU 19 -0.600 2.528 0.336 150 HD22 LEU 19 HD22 LEU 19 -0.495 0.770 0.484 151 HD23 LEU 19 HD23 LEU 19 -1.007 1.741 1.860 152 H THR 20 HN THR 20 -3.779 2.076 -3.834 153 HA THR 20 HA THR 20 -2.427 0.512 -5.656 154 HB THR 20 HB THR 20 -4.659 2.501 -5.965 155 HG1 THR 20 HG1 THR 20 -5.037 0.577 -4.774 156 HG21 THR 20 HG21 THR 20 -5.166 1.499 -8.162 157 HG22 THR 20 HG22 THR 20 -3.621 0.620 -8.116 158 HG23 THR 20 HG23 THR 20 -3.650 2.391 -8.141 159 H GLU 21 HN GLU 21 -2.823 4.038 -5.620 160 HA GLU 21 HA GLU 21 -1.408 4.469 -8.018 161 HB2 GLU 21 HB2 GLU 21 -3.009 5.998 -7.132 162 HB3 GLU 21 HB1 GLU 21 -2.014 6.304 -5.712 163 HG2 GLU 21 HG2 GLU 21 -0.273 7.253 -7.146 164 HG3 GLU 21 HG1 GLU 21 -1.288 6.972 -8.555 165 H SER 22 HN SER 22 -0.529 4.495 -4.732 166 HA SER 22 HA SER 22 2.095 5.535 -5.007 167 HB2 SER 22 HB2 SER 22 0.980 3.792 -2.793 168 HB3 SER 22 HB1 SER 22 2.493 4.699 -2.710 169 HG SER 22 HG SER 22 -0.160 5.672 -2.825 170 H GLY 23 HN GLY 23 0.883 2.284 -4.802 171 HA2 GLY 23 HA2 GLY 23 3.366 0.939 -5.078 172 HA3 GLY 23 HA1 GLY 23 1.780 0.248 -5.436 173 H LYS 24 HN LYS 24 1.033 2.173 -7.404 174 HA LYS 24 HA LYS 24 2.193 1.070 -9.676 175 HB2 LYS 24 HB2 LYS 24 0.466 3.454 -9.216 176 HB3 LYS 24 HB1 LYS 24 0.927 2.898 -10.821 177 HG2 LYS 24 HG2 LYS 24 -0.314 1.120 -8.788 178 HG3 LYS 24 HG1 LYS 24 -1.340 2.099 -9.808 179 HD2 LYS 24 HD2 LYS 24 0.721 -0.008 -10.708 180 HD3 LYS 24 HD1 LYS 24 -1.008 -0.255 -10.632 181 HE2 LYS 24 HE2 LYS 24 -1.434 1.241 -12.310 182 HE3 LYS 24 HE1 LYS 24 0.193 1.909 -12.311 183 HZ1 LYS 24 HZ1 LYS 24 0.991 -0.277 -13.129 184 HZ2 LYS 24 HZ2 LYS 24 -0.046 0.464 -14.182 185 HZ3 LYS 24 HZ3 LYS 24 -0.602 -0.824 -13.255 186 H LYS 25 HN LYS 25 2.935 4.051 -7.920 187 HA LYS 25 HA LYS 25 4.595 5.142 -9.920 188 HB2 LYS 25 HB2 LYS 25 4.342 5.649 -6.950 189 HB3 LYS 25 HB1 LYS 25 5.292 6.648 -8.044 190 HG2 LYS 25 HG2 LYS 25 3.360 7.396 -9.191 191 HG3 LYS 25 HG1 LYS 25 2.355 6.167 -8.424 192 HD2 LYS 25 HD2 LYS 25 1.951 8.373 -7.450 193 HD3 LYS 25 HD1 LYS 25 2.631 7.278 -6.260 194 HE2 LYS 25 HE2 LYS 25 4.843 8.298 -6.593 195 HE3 LYS 25 HE1 LYS 25 4.143 9.375 -7.801 196 HZ1 LYS 25 HZ1 LYS 25 2.749 10.331 -6.137 197 HZ2 LYS 25 HZ2 LYS 25 4.348 10.431 -5.608 198 HZ3 LYS 25 HZ3 LYS 25 3.309 9.272 -4.962 199 H ARG 26 HN ARG 26 5.029 3.198 -7.123 200 HA ARG 26 HA ARG 26 7.918 3.274 -7.158 201 HB2 ARG 26 HB2 ARG 26 6.048 1.509 -5.607 202 HB3 ARG 26 HB1 ARG 26 7.771 1.692 -5.325 203 HG2 ARG 26 HG2 ARG 26 7.442 3.979 -4.657 204 HG3 ARG 26 HG1 ARG 26 5.751 3.884 -5.109 205 HD2 ARG 26 HD2 ARG 26 5.910 3.570 -2.684 206 HD3 ARG 26 HD1 ARG 26 5.385 2.104 -3.514 207 HE ARG 26 HE ARG 26 8.133 1.971 -3.225 208 HH11 ARG 26 HH11 ARG 26 5.259 2.029 -1.201 209 HH12 ARG 26 HH12 ARG 26 5.807 0.962 -0.014 210 HH21 ARG 26 HH21 ARG 26 9.007 0.450 -1.562 211 HH22 ARG 26 HH22 ARG 26 8.115 0.076 -0.230 212 H GLY 27 HN GLY 27 5.443 0.834 -7.606 213 HA2 GLY 27 HA2 GLY 27 5.520 -0.890 -9.166 214 HA3 GLY 27 HA1 GLY 27 7.290 -0.921 -9.028 215 H VAL 28 HN VAL 28 5.947 -0.316 -6.040 216 HA VAL 28 HA VAL 28 5.627 -3.060 -5.233 217 HB VAL 28 HB VAL 28 8.054 -2.621 -5.607 218 HG11 VAL 28 HG11 VAL 28 8.283 -0.409 -4.876 219 HG12 VAL 28 HG12 VAL 28 9.310 -1.448 -3.868 220 HG13 VAL 28 HG13 VAL 28 7.767 -0.849 -3.247 221 HG21 VAL 28 HG21 VAL 28 7.332 -4.433 -4.309 222 HG22 VAL 28 HG22 VAL 28 7.167 -3.388 -2.893 223 HG23 VAL 28 HG23 VAL 28 8.784 -3.740 -3.565 224 H LEU 29 HN LEU 29 5.013 -3.288 -3.157 225 HA LEU 29 HA LEU 29 4.749 -1.003 -1.426 226 HB2 LEU 29 HB2 LEU 29 2.461 -2.710 -2.372 227 HB3 LEU 29 HB1 LEU 29 2.403 -1.860 -0.849 228 HG LEU 29 HG LEU 29 2.641 -0.570 -3.567 229 HD11 LEU 29 HD11 LEU 29 0.300 -0.889 -1.697 230 HD12 LEU 29 HD12 LEU 29 0.493 -1.670 -3.265 231 HD13 LEU 29 HD13 LEU 29 0.308 0.082 -3.165 232 HD21 LEU 29 HD21 LEU 29 3.608 0.792 -1.775 233 HD22 LEU 29 HD22 LEU 29 2.123 0.592 -0.836 234 HD23 LEU 29 HD23 LEU 29 2.091 1.478 -2.363 235 H THR 30 HN THR 30 5.235 -1.734 0.649 236 HA THR 30 HA THR 30 5.699 -4.488 1.136 237 HB THR 30 HB THR 30 5.952 -3.823 3.542 238 HG1 THR 30 HG1 THR 30 5.316 -1.265 2.510 239 HG21 THR 30 HG21 THR 30 7.901 -3.779 2.287 240 HG22 THR 30 HG22 THR 30 7.872 -2.248 3.171 241 HG23 THR 30 HG23 THR 30 7.451 -2.293 1.450 242 H TYR 31 HN TYR 31 4.497 -5.936 2.359 243 HA TYR 31 HA TYR 31 1.702 -5.922 2.160 244 HB2 TYR 31 HB2 TYR 31 3.419 -7.472 4.134 245 HB3 TYR 31 HB1 TYR 31 1.714 -7.755 3.871 246 HD1 TYR 31 HD1 TYR 31 1.052 -8.370 1.399 247 HD2 TYR 31 HD2 TYR 31 5.036 -8.774 2.935 248 HE1 TYR 31 HE1 TYR 31 1.565 -10.059 -0.308 249 HE2 TYR 31 HE2 TYR 31 5.519 -10.428 1.240 250 HH TYR 31 HH TYR 31 3.638 -10.977 -1.472 251 H GLU 32 HN GLU 32 3.773 -4.870 4.774 252 HA GLU 32 HA GLU 32 1.574 -4.468 6.536 253 HB2 GLU 32 HB2 GLU 32 4.500 -3.966 6.866 254 HB3 GLU 32 HB1 GLU 32 3.301 -3.606 8.106 255 HG2 GLU 32 HG2 GLU 32 2.621 -5.885 8.216 256 HG3 GLU 32 HG1 GLU 32 3.641 -6.305 6.844 257 H GLU 33 HN GLU 33 3.216 -2.291 4.315 258 HA GLU 33 HA GLU 33 2.200 -0.011 5.748 259 HB2 GLU 33 HB2 GLU 33 2.913 1.347 3.875 260 HB3 GLU 33 HB1 GLU 33 4.159 0.156 4.190 261 HG2 GLU 33 HG2 GLU 33 3.264 -1.210 2.332 262 HG3 GLU 33 HG1 GLU 33 2.128 0.098 1.992 263 H ILE 34 HN ILE 34 1.164 -2.224 3.407 264 HA ILE 34 HA ILE 34 -1.165 -0.893 2.510 265 HB ILE 34 HB ILE 34 -0.433 -3.829 2.558 266 HG12 ILE 34 HG12 ILE 34 -0.397 -1.832 0.303 267 HG13 ILE 34 HG11 ILE 34 1.017 -2.327 1.227 268 HG21 ILE 34 HG21 ILE 34 -2.731 -2.431 1.178 269 HG22 ILE 34 HG22 ILE 34 -2.828 -3.669 2.425 270 HG23 ILE 34 HG23 ILE 34 -2.213 -4.074 0.819 271 HD11 ILE 34 HD11 ILE 34 -0.699 -4.115 -0.480 272 HD12 ILE 34 HD12 ILE 34 0.734 -4.607 0.426 273 HD13 ILE 34 HD13 ILE 34 0.878 -3.459 -0.906 274 H ALA 35 HN ALA 35 -0.355 -3.083 5.186 275 HA ALA 35 HA ALA 35 -2.964 -3.620 5.943 276 HB1 ALA 35 HB1 ALA 35 -0.363 -3.935 7.438 277 HB2 ALA 35 HB2 ALA 35 -1.159 -5.150 6.439 278 HB3 ALA 35 HB3 ALA 35 -1.911 -4.612 7.938 279 H GLU 36 HN GLU 36 -0.508 -1.256 6.685 280 HA GLU 36 HA GLU 36 -1.266 -0.300 9.170 281 HB2 GLU 36 HB2 GLU 36 0.860 0.214 8.034 282 HB3 GLU 36 HB1 GLU 36 -0.012 1.229 6.893 283 HG2 GLU 36 HG2 GLU 36 -0.801 2.563 8.895 284 HG3 GLU 36 HG1 GLU 36 0.375 1.662 9.835 285 H ARG 37 HN ARG 37 -2.214 0.834 5.890 286 HA ARG 37 HA ARG 37 -3.728 2.987 6.869 287 HB2 ARG 37 HB2 ARG 37 -3.973 1.614 4.203 288 HB3 ARG 37 HB1 ARG 37 -4.286 3.297 4.582 289 HG2 ARG 37 HG2 ARG 37 -1.575 1.983 4.608 290 HG3 ARG 37 HG1 ARG 37 -2.218 2.979 3.311 291 HD2 ARG 37 HD2 ARG 37 -2.143 4.908 4.597 292 HD3 ARG 37 HD1 ARG 37 -1.970 4.032 6.119 293 HE ARG 37 HE ARG 37 0.204 3.246 4.843 294 HH11 ARG 37 HH11 ARG 37 -1.057 6.577 5.022 295 HH12 ARG 37 HH12 ARG 37 0.498 7.269 5.113 296 HH21 ARG 37 HH21 ARG 37 2.344 4.290 5.019 297 HH22 ARG 37 HH22 ARG 37 2.397 5.985 5.115 298 H MET 38 HN MET 38 -4.286 -0.376 6.170 299 HA MET 38 HA MET 38 -7.133 -0.078 6.135 300 HB2 MET 38 HB2 MET 38 -5.543 -2.652 6.173 301 HB3 MET 38 HB1 MET 38 -7.252 -2.483 5.850 302 HG2 MET 38 HG2 MET 38 -5.024 -1.392 4.169 303 HG3 MET 38 HG1 MET 38 -6.016 -2.808 3.813 304 HE1 MET 38 HE1 MET 38 -7.096 -0.186 1.131 305 HE2 MET 38 HE2 MET 38 -6.732 -1.887 1.399 306 HE3 MET 38 HE3 MET 38 -5.515 -0.666 1.769 307 H SER 39 HN SER 39 -4.943 -0.052 8.523 308 HA SER 39 HA SER 39 -6.231 -1.740 10.439 309 HB2 SER 39 HB2 SER 39 -4.212 0.471 10.823 310 HB3 SER 39 HB1 SER 39 -4.677 -0.705 12.054 311 HG SER 39 HG SER 39 -3.653 -1.518 9.530 312 H SER 40 HN SER 40 -6.826 1.381 9.202 313 HA SER 40 HA SER 40 -8.293 2.444 11.390 314 HB2 SER 40 HB2 SER 40 -8.606 2.991 8.436 315 HB3 SER 40 HB1 SER 40 -9.031 4.078 9.769 316 HG SER 40 HG SER 40 -6.789 4.128 10.301 317 H PHE 41 HN PHE 41 -8.855 0.244 8.791 318 HA PHE 41 HA PHE 41 -11.717 0.023 9.338 319 HB2 PHE 41 HB2 PHE 41 -10.039 -1.328 7.244 320 HB3 PHE 41 HB1 PHE 41 -11.799 -1.209 7.224 321 HD1 PHE 41 HD1 PHE 41 -12.534 1.449 7.499 322 HD2 PHE 41 HD2 PHE 41 -8.980 -0.089 5.767 323 HE1 PHE 41 HE1 PHE 41 -12.245 3.538 6.243 324 HE2 PHE 41 HE2 PHE 41 -8.670 1.984 4.515 325 HZ PHE 41 HZ PHE 41 -10.291 3.807 4.754 326 H GLU 42 HN GLU 42 -11.878 -2.689 8.487 327 HA GLU 42 HA GLU 42 -10.527 -4.153 10.641 328 HB2 GLU 42 HB2 GLU 42 -12.729 -5.381 10.878 329 HB3 GLU 42 HB1 GLU 42 -12.730 -3.711 11.436 330 HG2 GLU 42 HG2 GLU 42 -13.735 -3.065 9.240 331 HG3 GLU 42 HG1 GLU 42 -13.875 -4.783 8.866 332 H ILE 43 HN ILE 43 -9.623 -3.986 8.085 333 HA ILE 43 HA ILE 43 -10.699 -5.968 6.317 334 HB ILE 43 HB ILE 43 -7.981 -4.650 6.136 335 HG12 ILE 43 HG12 ILE 43 -9.721 -2.967 6.275 336 HG13 ILE 43 HG11 ILE 43 -9.059 -3.033 4.641 337 HG21 ILE 43 HG21 ILE 43 -8.112 -5.114 3.781 338 HG22 ILE 43 HG22 ILE 43 -9.656 -5.919 4.015 339 HG23 ILE 43 HG23 ILE 43 -8.193 -6.601 4.731 340 HD11 ILE 43 HD11 ILE 43 -11.652 -4.245 5.564 341 HD12 ILE 43 HD12 ILE 43 -10.941 -4.374 3.944 342 HD13 ILE 43 HD13 ILE 43 -11.443 -2.796 4.556 343 H GLU 44 HN GLU 44 -10.433 -7.921 6.387 344 HA GLU 44 HA GLU 44 -8.669 -9.335 8.173 345 HB2 GLU 44 HB2 GLU 44 -10.316 -10.493 5.908 346 HB3 GLU 44 HB1 GLU 44 -9.707 -11.323 7.321 347 HG2 GLU 44 HG2 GLU 44 -11.193 -10.049 8.755 348 HG3 GLU 44 HG1 GLU 44 -11.804 -9.168 7.358 349 H SER 45 HN SER 45 -7.143 -11.072 7.325 350 HA SER 45 HA SER 45 -5.368 -9.957 5.454 351 HB2 SER 45 HB2 SER 45 -4.648 -11.472 7.318 352 HB3 SER 45 HB1 SER 45 -5.413 -12.817 6.476 353 HG SER 45 HG SER 45 -3.467 -11.219 5.208 354 H ASP 46 HN ASP 46 -8.010 -12.226 5.160 355 HA ASP 46 HA ASP 46 -7.295 -13.118 2.554 356 HB2 ASP 46 HB2 ASP 46 -9.945 -13.224 4.013 357 HB3 ASP 46 HB1 ASP 46 -9.730 -13.855 2.384 358 H GLN 47 HN GLN 47 -9.022 -10.406 3.786 359 HA GLN 47 HA GLN 47 -10.032 -9.564 1.235 360 HB2 GLN 47 HB2 GLN 47 -9.639 -8.005 3.771 361 HB3 GLN 47 HB1 GLN 47 -10.535 -7.442 2.362 362 HG2 GLN 47 HG2 GLN 47 -12.070 -9.378 2.707 363 HG3 GLN 47 HG1 GLN 47 -11.200 -9.702 4.193 364 HE21 GLN 47 HE21 GLN 47 -13.265 -7.448 2.583 365 HE22 GLN 47 HE22 GLN 47 -13.784 -6.601 3.990 366 H MET 48 HN MET 48 -7.249 -8.964 3.239 367 HA MET 48 HA MET 48 -6.135 -6.996 1.618 368 HB2 MET 48 HB2 MET 48 -4.875 -8.949 3.509 369 HB3 MET 48 HB1 MET 48 -3.887 -7.824 2.598 370 HG2 MET 48 HG2 MET 48 -6.127 -6.886 4.365 371 HG3 MET 48 HG1 MET 48 -4.519 -7.256 4.988 372 HE1 MET 48 HE1 MET 48 -5.370 -3.749 2.039 373 HE2 MET 48 HE2 MET 48 -6.572 -4.989 2.431 374 HE3 MET 48 HE3 MET 48 -5.175 -5.366 1.405 375 H ASP 49 HN ASP 49 -5.930 -10.501 1.536 376 HA ASP 49 HA ASP 49 -3.967 -10.848 -0.446 377 HB2 ASP 49 HB2 ASP 49 -4.797 -12.687 0.959 378 HB3 ASP 49 HB1 ASP 49 -6.342 -12.615 0.124 379 H GLU 50 HN GLU 50 -7.485 -10.565 -0.804 380 HA GLU 50 HA GLU 50 -7.387 -10.886 -3.587 381 HB2 GLU 50 HB2 GLU 50 -9.689 -9.985 -3.643 382 HB3 GLU 50 HB1 GLU 50 -9.478 -11.181 -2.371 383 HG2 GLU 50 HG2 GLU 50 -9.290 -9.390 -0.729 384 HG3 GLU 50 HG1 GLU 50 -9.516 -8.199 -2.005 385 H TYR 51 HN TYR 51 -7.029 -8.082 -1.520 386 HA TYR 51 HA TYR 51 -6.921 -6.216 -3.649 387 HB2 TYR 51 HB2 TYR 51 -7.379 -5.510 -1.336 388 HB3 TYR 51 HB1 TYR 51 -5.770 -6.014 -0.865 389 HD1 TYR 51 HD1 TYR 51 -6.995 -3.956 -3.818 390 HD2 TYR 51 HD2 TYR 51 -4.510 -4.179 -0.339 391 HE1 TYR 51 HE1 TYR 51 -6.096 -1.772 -4.314 392 HE2 TYR 51 HE2 TYR 51 -3.602 -1.965 -0.886 393 HH TYR 51 HH TYR 51 -3.325 -0.625 -2.901 394 H TYR 52 HN TYR 52 -4.519 -8.245 -2.038 395 HA TYR 52 HA TYR 52 -2.257 -7.091 -3.211 396 HB2 TYR 52 HB2 TYR 52 -2.663 -9.955 -2.303 397 HB3 TYR 52 HB1 TYR 52 -1.109 -9.279 -2.785 398 HD1 TYR 52 HD1 TYR 52 -2.053 -10.553 -0.059 399 HD2 TYR 52 HD2 TYR 52 -1.536 -6.536 -1.399 400 HE1 TYR 52 HE1 TYR 52 -1.692 -9.810 2.255 401 HE2 TYR 52 HE2 TYR 52 -1.165 -5.823 0.883 402 HH TYR 52 HH TYR 52 -1.628 -6.536 3.176 403 H GLU 53 HN GLU 53 -4.369 -9.714 -4.201 404 HA GLU 53 HA GLU 53 -3.200 -10.471 -6.588 405 HB2 GLU 53 HB2 GLU 53 -5.193 -11.422 -5.201 406 HB3 GLU 53 HB1 GLU 53 -6.164 -10.303 -6.134 407 HG2 GLU 53 HG2 GLU 53 -6.239 -12.512 -7.095 408 HG3 GLU 53 HG1 GLU 53 -5.438 -11.380 -8.193 409 H PHE 54 HN PHE 54 -5.609 -8.002 -5.846 410 HA PHE 54 HA PHE 54 -6.094 -7.001 -8.413 411 HB2 PHE 54 HB2 PHE 54 -7.585 -6.345 -6.676 412 HB3 PHE 54 HB1 PHE 54 -6.260 -5.770 -5.673 413 HD1 PHE 54 HD1 PHE 54 -5.510 -3.627 -5.791 414 HD2 PHE 54 HD2 PHE 54 -8.166 -5.046 -8.749 415 HE1 PHE 54 HE1 PHE 54 -5.749 -1.334 -6.640 416 HE2 PHE 54 HE2 PHE 54 -8.432 -2.756 -9.625 417 HZ PHE 54 HZ PHE 54 -7.179 -0.888 -8.527 418 H LEU 55 HN LEU 55 -3.840 -5.887 -5.946 419 HA LEU 55 HA LEU 55 -2.644 -3.849 -7.406 420 HB2 LEU 55 HB2 LEU 55 -1.547 -5.546 -5.186 421 HB3 LEU 55 HB1 LEU 55 -0.679 -4.189 -5.860 422 HG LEU 55 HG LEU 55 -3.366 -4.014 -4.504 423 HD11 LEU 55 HD11 LEU 55 -2.089 -2.855 -2.746 424 HD12 LEU 55 HD12 LEU 55 -0.597 -3.310 -3.578 425 HD13 LEU 55 HD13 LEU 55 -1.656 -4.553 -2.918 426 HD21 LEU 55 HD21 LEU 55 -2.915 -1.568 -4.589 427 HD22 LEU 55 HD22 LEU 55 -3.156 -2.278 -6.167 428 HD23 LEU 55 HD23 LEU 55 -1.520 -1.894 -5.622 429 H GLY 56 HN GLY 56 -1.823 -7.247 -7.200 430 HA2 GLY 56 HA2 GLY 56 0.487 -7.207 -8.765 431 HA3 GLY 56 HA1 GLY 56 -0.581 -8.594 -8.556 432 H GLU 57 HN GLU 57 -2.930 -7.555 -9.743 433 HA GLU 57 HA GLU 57 -2.456 -7.937 -12.426 434 HB2 GLU 57 HB2 GLU 57 -4.724 -6.620 -11.007 435 HB3 GLU 57 HB1 GLU 57 -4.743 -7.089 -12.703 436 HG2 GLU 57 HG2 GLU 57 -4.377 -9.424 -12.015 437 HG3 GLU 57 HG1 GLU 57 -4.479 -8.903 -10.331 438 H GLN 58 HN GLN 58 -2.660 -4.991 -10.558 439 HA GLN 58 HA GLN 58 -2.618 -3.252 -12.856 440 HB2 GLN 58 HB2 GLN 58 -1.958 -2.545 -9.975 441 HB3 GLN 58 HB1 GLN 58 -2.398 -1.439 -11.273 442 HG2 GLN 58 HG2 GLN 58 -4.207 -3.483 -10.032 443 HG3 GLN 58 HG1 GLN 58 -4.236 -1.744 -9.751 444 HE21 GLN 58 HE21 GLN 58 -5.062 -4.302 -11.894 445 HE22 GLN 58 HE22 GLN 58 -5.956 -3.369 -13.023 446 H GLY 59 HN GLY 59 -0.231 -4.165 -10.412 447 HA2 GLY 59 HA2 GLY 59 1.890 -4.907 -11.672 448 HA3 GLY 59 HA1 GLY 59 1.855 -3.262 -12.282 449 H VAL 60 HN VAL 60 1.410 -4.783 -9.118 450 HA VAL 60 HA VAL 60 3.558 -3.087 -8.015 451 HB VAL 60 HB VAL 60 1.007 -3.755 -6.567 452 HG11 VAL 60 HG11 VAL 60 2.889 -3.404 -5.152 453 HG12 VAL 60 HG12 VAL 60 1.750 -2.069 -4.968 454 HG13 VAL 60 HG13 VAL 60 3.227 -1.854 -5.914 455 HG21 VAL 60 HG21 VAL 60 1.693 -1.149 -7.928 456 HG22 VAL 60 HG22 VAL 60 0.337 -1.379 -6.823 457 HG23 VAL 60 HG23 VAL 60 0.376 -2.239 -8.362 458 H GLU 61 HN GLU 61 4.987 -4.317 -7.024 459 HA GLU 61 HA GLU 61 4.342 -7.069 -6.395 460 HB2 GLU 61 HB2 GLU 61 6.898 -5.478 -6.262 461 HB3 GLU 61 HB1 GLU 61 6.772 -7.195 -5.880 462 HG2 GLU 61 HG2 GLU 61 6.035 -7.661 -8.079 463 HG3 GLU 61 HG1 GLU 61 6.067 -5.955 -8.517 464 H LEU 62 HN LEU 62 4.004 -7.770 -4.336 465 HA LEU 62 HA LEU 62 4.080 -5.684 -2.334 466 HB2 LEU 62 HB2 LEU 62 2.817 -8.403 -2.165 467 HB3 LEU 62 HB1 LEU 62 2.661 -7.117 -0.992 468 HG LEU 62 HG LEU 62 0.701 -6.954 -2.049 469 HD11 LEU 62 HD11 LEU 62 2.355 -5.153 -3.736 470 HD12 LEU 62 HD12 LEU 62 1.666 -4.809 -2.152 471 HD13 LEU 62 HD13 LEU 62 0.602 -5.076 -3.543 472 HD21 LEU 62 HD21 LEU 62 0.977 -8.682 -3.649 473 HD22 LEU 62 HD22 LEU 62 1.938 -7.622 -4.704 474 HD23 LEU 62 HD23 LEU 62 0.222 -7.280 -4.390 475 H ILE 63 HN ILE 63 5.929 -5.513 -1.344 476 HA ILE 63 HA ILE 63 7.471 -7.904 -0.746 477 HB ILE 63 HB ILE 63 9.142 -6.344 0.242 478 HG12 ILE 63 HG12 ILE 63 7.463 -4.312 -1.215 479 HG13 ILE 63 HG11 ILE 63 7.695 -4.418 0.512 480 HG21 ILE 63 HG21 ILE 63 10.000 -5.730 -1.985 481 HG22 ILE 63 HG22 ILE 63 8.416 -6.203 -2.649 482 HG23 ILE 63 HG23 ILE 63 9.447 -7.410 -1.823 483 HD11 ILE 63 HD11 ILE 63 9.074 -2.654 -0.437 484 HD12 ILE 63 HD12 ILE 63 9.854 -3.820 -1.505 485 HD13 ILE 63 HD13 ILE 63 10.044 -3.956 0.248 486 H SER 64 HN SER 64 8.776 -7.666 1.308 487 HA SER 64 HA SER 64 6.817 -8.144 3.367 488 HB2 SER 64 HB2 SER 64 9.288 -9.052 2.375 489 HB3 SER 64 HB1 SER 64 9.125 -9.327 4.091 490 HG SER 64 HG SER 64 7.145 -10.403 3.487 491 H GLU 65 HN GLU 65 8.442 -5.404 2.866 492 HA GLU 65 HA GLU 65 8.989 -3.596 4.141 493 HB2 GLU 65 HB2 GLU 65 7.063 -4.235 5.626 494 HB3 GLU 65 HB1 GLU 65 8.199 -5.145 6.628 495 HG2 GLU 65 HG2 GLU 65 9.471 -2.984 6.916 496 HG3 GLU 65 HG1 GLU 65 8.112 -2.177 6.159 497 H ASN 66 HN ASN 66 10.166 -6.518 5.696 498 HA ASN 66 HA ASN 66 12.545 -5.341 6.657 499 HB2 ASN 66 HB2 ASN 66 11.824 -8.216 6.092 500 HB3 ASN 66 HB1 ASN 66 13.328 -7.710 6.852 501 HD21 ASN 66 HD21 ASN 66 9.926 -8.199 7.276 502 HD22 ASN 66 HD22 ASN 66 9.913 -7.894 8.964 503 H GLU 67 HN GLU 67 11.471 -6.288 3.698 504 HA GLU 67 HA GLU 67 14.085 -5.714 2.581 505 HB2 GLU 67 HB2 GLU 67 13.587 -7.069 0.679 506 HB3 GLU 67 HB1 GLU 67 13.171 -7.980 2.135 507 HG2 GLU 67 HG2 GLU 67 10.818 -7.485 1.800 508 HG3 GLU 67 HG1 GLU 67 11.241 -6.498 0.403 509 H GLU 68 HN GLU 68 14.026 -4.189 1.153 510 HA GLU 68 HA GLU 68 11.669 -2.935 0.173 511 HB2 GLU 68 HB2 GLU 68 11.553 -2.119 2.462 512 HB3 GLU 68 HB1 GLU 68 13.214 -1.541 2.367 513 HG2 GLU 68 HG2 GLU 68 11.532 0.255 2.231 514 HG3 GLU 68 HG1 GLU 68 12.558 0.171 0.796 515 H THR 69 HN THR 69 12.103 -1.747 -1.549 516 HA THR 69 HA THR 69 14.844 -1.902 -2.438 517 HB THR 69 HB THR 69 13.736 -1.320 -4.669 518 HG1 THR 69 HG1 THR 69 11.779 -0.588 -4.152 519 HG21 THR 69 HG21 THR 69 12.923 -3.619 -4.958 520 HG22 THR 69 HG22 THR 69 12.958 -3.851 -3.209 521 HG23 THR 69 HG23 THR 69 14.459 -3.571 -4.098 522 H GLU 70 HN GLU 70 12.436 0.185 -1.588 523 HA GLU 70 HA GLU 70 13.670 2.531 -2.759 524 HB2 GLU 70 HB2 GLU 70 11.406 2.617 -0.802 525 HB3 GLU 70 HB1 GLU 70 11.721 3.694 -2.153 526 HG2 GLU 70 HG2 GLU 70 11.013 0.852 -2.372 527 HG3 GLU 70 HG1 GLU 70 9.792 2.142 -2.456 528 H ASP 71 HN ASP 71 14.263 0.678 -0.284 529 HA ASP 71 HA ASP 71 15.013 2.789 1.487 530 HB2 ASP 71 HB2 ASP 71 13.795 1.005 2.526 531 HB3 ASP 71 HB1 ASP 71 14.938 -0.181 1.932 532 H LEU 72 HN LEU 72 16.075 0.508 -0.566 533 HA LEU 72 HA LEU 72 18.899 0.461 0.134 534 HB2 LEU 72 HB2 LEU 72 17.459 -0.642 -2.282 535 HB3 LEU 72 HB1 LEU 72 19.147 -0.909 -1.927 536 HG LEU 72 HG LEU 72 16.816 -1.929 -0.294 537 HD11 LEU 72 HD11 LEU 72 18.713 -3.360 -2.142 538 HD12 LEU 72 HD12 LEU 72 17.015 -3.027 -2.456 539 HD13 LEU 72 HD13 LEU 72 17.471 -4.117 -1.149 540 HD21 LEU 72 HD21 LEU 72 19.781 -2.404 -0.021 541 HD22 LEU 72 HD22 LEU 72 18.521 -3.244 0.878 542 HD23 LEU 72 HD23 LEU 72 18.758 -1.506 1.102 543 H GLU 73 HN GLU 73 16.842 1.479 -2.558 544 HA GLU 73 HA GLU 73 18.965 3.204 -3.552 545 HB2 GLU 73 HB2 GLU 73 16.409 2.261 -4.849 546 HB3 GLU 73 HB1 GLU 73 17.689 3.188 -5.627 547 HG2 GLU 73 HG2 GLU 73 17.873 0.363 -4.589 548 HG3 GLU 73 HG1 GLU 73 17.776 0.852 -6.278 549 H HIS 74 HN HIS 74 18.774 5.173 -2.733 550 HA HIS 74 HA HIS 74 18.007 7.192 -2.211 551 HB2 HIS 74 HB2 HIS 74 15.607 6.344 -3.853 552 HB3 HIS 74 HB1 HIS 74 15.756 7.955 -3.167 553 HD1 HIS 74 HD1 HIS 74 17.621 9.506 -4.223 554 HD2 HIS 74 HD2 HIS 74 17.101 5.842 -6.112 555 HE1 HIS 74 HE1 HIS 74 18.849 9.663 -6.417 556 H HIS 75 HN HIS 75 15.722 8.245 -1.302 557 HA HIS 75 HA HIS 75 14.376 6.468 0.500 558 HB2 HIS 75 HB2 HIS 75 14.892 7.710 2.550 559 HB3 HIS 75 HB1 HIS 75 16.388 7.138 1.833 560 HD1 HIS 75 HD1 HIS 75 14.701 10.225 2.990 561 HD2 HIS 75 HD2 HIS 75 17.980 9.192 0.673 562 HE1 HIS 75 HE1 HIS 75 16.086 12.309 2.794 563 H HIS 76 HN HIS 76 12.748 7.928 1.795 564 HA HIS 76 HA HIS 76 11.852 9.959 -0.073 565 HB2 HIS 76 HB2 HIS 76 10.213 8.136 1.721 566 HB3 HIS 76 HB1 HIS 76 9.546 9.516 0.853 567 HD1 HIS 76 HD1 HIS 76 8.670 9.003 -1.469 568 HD2 HIS 76 HD2 HIS 76 11.389 6.159 -0.112 569 HE1 HIS 76 HE1 HIS 76 8.745 7.201 -3.230 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -12.404 7.272 -5.169 2 H2 ALA 1 HT2 ALA 1 -11.243 6.902 -6.294 3 H3 ALA 1 HT3 ALA 1 -12.688 7.668 -6.776 4 HA ALA 1 HA ALA 1 -10.590 8.800 -5.032 5 HB1 ALA 1 HB1 ALA 1 -9.927 8.747 -7.390 6 HB2 ALA 1 HB2 ALA 1 -10.233 10.404 -6.859 7 HB3 ALA 1 HB3 ALA 1 -11.428 9.556 -7.835 8 H ASP 2 HN ASP 2 -10.997 11.040 -4.507 9 HA ASP 2 HA ASP 2 -12.125 12.805 -3.741 10 HB2 ASP 2 HB2 ASP 2 -14.220 11.962 -5.729 11 HB3 ASP 2 HB1 ASP 2 -14.376 13.397 -4.727 12 H LYS 3 HN LYS 3 -13.751 9.813 -3.544 13 HA LYS 3 HA LYS 3 -15.726 10.660 -1.675 14 HB2 LYS 3 HB2 LYS 3 -14.875 7.973 -2.681 15 HB3 LYS 3 HB1 LYS 3 -16.114 8.139 -1.459 16 HG2 LYS 3 HG2 LYS 3 -16.213 9.384 -4.209 17 HG3 LYS 3 HG1 LYS 3 -17.012 7.877 -3.758 18 HD2 LYS 3 HD2 LYS 3 -17.557 10.587 -2.510 19 HD3 LYS 3 HD1 LYS 3 -18.559 9.804 -3.724 20 HE2 LYS 3 HE2 LYS 3 -18.997 7.947 -2.202 21 HE3 LYS 3 HE1 LYS 3 -17.951 8.664 -0.991 22 HZ1 LYS 3 HZ1 LYS 3 -20.437 9.902 -2.023 23 HZ2 LYS 3 HZ2 LYS 3 -19.454 10.502 -0.773 24 HZ3 LYS 3 HZ3 LYS 3 -20.285 9.066 -0.579 25 H GLN 4 HN GLN 4 -13.859 11.633 -0.333 26 HA GLN 4 HA GLN 4 -13.594 9.815 1.913 27 HB2 GLN 4 HB2 GLN 4 -11.348 10.777 2.464 28 HB3 GLN 4 HB1 GLN 4 -11.330 9.792 1.022 29 HG2 GLN 4 HG2 GLN 4 -11.415 11.870 -0.313 30 HG3 GLN 4 HG1 GLN 4 -11.273 12.783 1.195 31 HE21 GLN 4 HE21 GLN 4 -9.352 12.631 2.363 32 HE22 GLN 4 HE22 GLN 4 -7.878 12.092 1.629 33 H THR 5 HN THR 5 -13.542 10.918 3.992 34 HA THR 5 HA THR 5 -15.351 13.109 3.921 35 HB THR 5 HB THR 5 -15.014 12.799 6.480 36 HG1 THR 5 HG1 THR 5 -14.194 10.602 6.855 37 HG21 THR 5 HG21 THR 5 -16.503 10.837 6.471 38 HG22 THR 5 HG22 THR 5 -16.092 10.526 4.784 39 HG23 THR 5 HG23 THR 5 -16.982 11.982 5.222 40 H HIS 6 HN HIS 6 -12.114 12.559 5.181 41 HA HIS 6 HA HIS 6 -11.588 15.427 4.920 42 HB2 HIS 6 HB2 HIS 6 -10.813 13.694 7.302 43 HB3 HIS 6 HB1 HIS 6 -10.141 15.288 6.997 44 HD1 HIS 6 HD1 HIS 6 -12.560 13.850 9.108 45 HD2 HIS 6 HD2 HIS 6 -12.516 17.177 6.616 46 HE1 HIS 6 HE1 HIS 6 -14.444 15.339 9.883 47 H GLU 7 HN GLU 7 -8.945 15.598 5.275 48 HA GLU 7 HA GLU 7 -8.138 13.900 3.126 49 HB2 GLU 7 HB2 GLU 7 -6.738 16.261 4.335 50 HB3 GLU 7 HB1 GLU 7 -6.041 15.295 3.034 51 HG2 GLU 7 HG2 GLU 7 -8.054 15.776 1.667 52 HG3 GLU 7 HG1 GLU 7 -8.623 16.833 2.954 53 H THR 8 HN THR 8 -7.835 13.779 6.298 54 HA THR 8 HA THR 8 -5.791 11.686 5.994 55 HB THR 8 HB THR 8 -6.593 12.913 8.660 56 HG1 THR 8 HG1 THR 8 -4.464 13.643 6.891 57 HG21 THR 8 HG21 THR 8 -4.137 11.417 7.745 58 HG22 THR 8 HG22 THR 8 -5.420 10.772 8.764 59 HG23 THR 8 HG23 THR 8 -4.377 12.063 9.369 60 H GLU 9 HN GLU 9 -8.840 11.877 5.803 61 HA GLU 9 HA GLU 9 -9.314 9.303 7.099 62 HB2 GLU 9 HB2 GLU 9 -11.041 11.705 7.102 63 HB3 GLU 9 HB1 GLU 9 -11.697 10.104 7.467 64 HG2 GLU 9 HG2 GLU 9 -10.085 9.994 9.360 65 HG3 GLU 9 HG1 GLU 9 -9.626 11.661 8.997 66 H LEU 10 HN LEU 10 -9.606 7.930 5.583 67 HA LEU 10 HA LEU 10 -11.052 8.792 3.205 68 HB2 LEU 10 HB2 LEU 10 -8.934 6.728 3.009 69 HB3 LEU 10 HB1 LEU 10 -9.547 7.849 1.819 70 HG LEU 10 HG LEU 10 -8.322 9.615 3.361 71 HD11 LEU 10 HD11 LEU 10 -6.738 7.113 3.837 72 HD12 LEU 10 HD12 LEU 10 -7.665 7.998 5.041 73 HD13 LEU 10 HD13 LEU 10 -6.252 8.754 4.285 74 HD21 LEU 10 HD21 LEU 10 -6.389 9.408 1.878 75 HD22 LEU 10 HD22 LEU 10 -7.946 9.221 1.021 76 HD23 LEU 10 HD23 LEU 10 -6.958 7.799 1.397 77 H THR 11 HN THR 11 -11.655 6.701 1.976 78 HA THR 11 HA THR 11 -12.790 4.915 3.946 79 HB THR 11 HB THR 11 -14.382 4.310 2.197 80 HG1 THR 11 HG1 THR 11 -14.121 5.532 0.155 81 HG21 THR 11 HG21 THR 11 -13.921 7.290 2.149 82 HG22 THR 11 HG22 THR 11 -14.821 6.440 3.408 83 HG23 THR 11 HG23 THR 11 -15.429 6.478 1.744 84 H PHE 12 HN PHE 12 -13.064 2.648 2.942 85 HA PHE 12 HA PHE 12 -10.534 1.556 2.782 86 HB2 PHE 12 HB2 PHE 12 -12.468 0.328 3.608 87 HB3 PHE 12 HB1 PHE 12 -13.213 0.384 2.014 88 HD1 PHE 12 HD1 PHE 12 -13.251 -1.683 1.060 89 HD2 PHE 12 HD2 PHE 12 -9.826 -0.517 3.264 90 HE1 PHE 12 HE1 PHE 12 -12.153 -3.801 0.463 91 HE2 PHE 12 HE2 PHE 12 -8.730 -2.602 2.697 92 HZ PHE 12 HZ PHE 12 -9.876 -4.262 1.276 93 H ASP 13 HN ASP 13 -12.890 2.281 0.363 94 HA ASP 13 HA ASP 13 -11.470 1.428 -1.900 95 HB2 ASP 13 HB2 ASP 13 -13.641 3.494 -1.621 96 HB3 ASP 13 HB1 ASP 13 -12.924 3.092 -3.174 97 H GLN 14 HN GLN 14 -11.376 4.369 -0.179 98 HA GLN 14 HA GLN 14 -9.856 5.849 -2.151 99 HB2 GLN 14 HB2 GLN 14 -10.332 6.316 0.762 100 HB3 GLN 14 HB1 GLN 14 -9.406 7.415 -0.261 101 HG2 GLN 14 HG2 GLN 14 -12.250 6.649 -0.739 102 HG3 GLN 14 HG1 GLN 14 -11.754 8.095 0.144 103 HE21 GLN 14 HE21 GLN 14 -10.663 9.691 -0.966 104 HE22 GLN 14 HE22 GLN 14 -10.742 9.869 -2.667 105 H VAL 15 HN VAL 15 -9.200 3.944 0.656 106 HA VAL 15 HA VAL 15 -6.464 4.655 0.756 107 HB VAL 15 HB VAL 15 -8.035 2.518 2.210 108 HG11 VAL 15 HG11 VAL 15 -5.878 2.163 3.472 109 HG12 VAL 15 HG12 VAL 15 -5.116 3.264 2.286 110 HG13 VAL 15 HG13 VAL 15 -5.756 1.729 1.755 111 HG21 VAL 15 HG21 VAL 15 -7.440 3.894 4.154 112 HG22 VAL 15 HG22 VAL 15 -8.353 4.808 2.949 113 HG23 VAL 15 HG23 VAL 15 -6.609 5.017 3.090 114 H LYS 16 HN LYS 16 -8.353 1.815 -0.432 115 HA LYS 16 HA LYS 16 -6.304 0.438 -1.431 116 HB2 LYS 16 HB2 LYS 16 -9.133 0.877 -2.147 117 HB3 LYS 16 HB1 LYS 16 -8.151 -0.008 -3.275 118 HG2 LYS 16 HG2 LYS 16 -7.572 -1.552 -1.310 119 HG3 LYS 16 HG1 LYS 16 -8.821 -0.699 -0.405 120 HD2 LYS 16 HD2 LYS 16 -9.271 -2.173 -3.011 121 HD3 LYS 16 HD1 LYS 16 -9.595 -2.838 -1.414 122 HE2 LYS 16 HE2 LYS 16 -11.267 -1.128 -1.011 123 HE3 LYS 16 HE1 LYS 16 -10.855 -0.356 -2.543 124 HZ1 LYS 16 HZ1 LYS 16 -12.886 -1.754 -2.633 125 HZ2 LYS 16 HZ2 LYS 16 -11.947 -3.126 -2.358 126 HZ3 LYS 16 HZ3 LYS 16 -11.713 -2.204 -3.732 127 H GLU 17 HN GLU 17 -8.085 3.106 -2.947 128 HA GLU 17 HA GLU 17 -6.527 3.131 -5.244 129 HB2 GLU 17 HB2 GLU 17 -8.151 5.275 -3.922 130 HB3 GLU 17 HB1 GLU 17 -7.330 5.517 -5.461 131 HG2 GLU 17 HG2 GLU 17 -8.613 3.736 -6.460 132 HG3 GLU 17 HG1 GLU 17 -9.375 3.372 -4.914 133 H GLN 18 HN GLN 18 -5.801 4.583 -2.044 134 HA GLN 18 HA GLN 18 -3.775 6.188 -3.106 135 HB2 GLN 18 HB2 GLN 18 -3.230 6.911 -0.902 136 HB3 GLN 18 HB1 GLN 18 -4.934 6.478 -0.830 137 HG2 GLN 18 HG2 GLN 18 -4.447 4.455 0.267 138 HG3 GLN 18 HG1 GLN 18 -2.718 4.707 0.071 139 HE21 GLN 18 HE21 GLN 18 -5.553 5.760 1.828 140 HE22 GLN 18 HE22 GLN 18 -4.658 6.600 3.052 141 H LEU 19 HN LEU 19 -3.817 3.166 -1.589 142 HA LEU 19 HA LEU 19 -1.092 2.591 -1.665 143 HB2 LEU 19 HB2 LEU 19 -3.620 1.168 -1.381 144 HB3 LEU 19 HB1 LEU 19 -2.184 0.234 -1.655 145 HG LEU 19 HG LEU 19 -2.588 2.220 0.618 146 HD11 LEU 19 HD11 LEU 19 -4.113 0.377 0.779 147 HD12 LEU 19 HD12 LEU 19 -2.891 0.291 2.053 148 HD13 LEU 19 HD13 LEU 19 -2.784 -0.770 0.642 149 HD21 LEU 19 HD21 LEU 19 -0.462 0.114 0.207 150 HD22 LEU 19 HD22 LEU 19 -0.624 1.166 1.616 151 HD23 LEU 19 HD23 LEU 19 -0.224 1.853 0.051 152 H THR 20 HN THR 20 -3.740 1.894 -3.883 153 HA THR 20 HA THR 20 -2.341 0.324 -5.666 154 HB THR 20 HB THR 20 -4.700 2.153 -5.928 155 HG1 THR 20 HG1 THR 20 -4.325 -0.292 -5.073 156 HG21 THR 20 HG21 THR 20 -3.686 2.126 -8.137 157 HG22 THR 20 HG22 THR 20 -5.187 1.209 -8.144 158 HG23 THR 20 HG23 THR 20 -3.628 0.360 -8.138 159 H GLU 21 HN GLU 21 -2.851 3.856 -5.711 160 HA GLU 21 HA GLU 21 -1.435 4.214 -8.111 161 HB2 GLU 21 HB2 GLU 21 -3.070 5.760 -7.299 162 HB3 GLU 21 HB1 GLU 21 -2.096 6.130 -5.882 163 HG2 GLU 21 HG2 GLU 21 -0.378 7.105 -7.313 164 HG3 GLU 21 HG1 GLU 21 -1.333 6.718 -8.743 165 H SER 22 HN SER 22 -0.548 4.344 -4.789 166 HA SER 22 HA SER 22 2.081 5.337 -5.170 167 HB2 SER 22 HB2 SER 22 0.936 3.802 -2.843 168 HB3 SER 22 HB1 SER 22 2.438 4.745 -2.815 169 HG SER 22 HG SER 22 -0.200 5.540 -2.799 170 H GLY 23 HN GLY 23 0.751 2.138 -4.842 171 HA2 GLY 23 HA2 GLY 23 3.166 0.651 -4.953 172 HA3 GLY 23 HA1 GLY 23 1.569 0.064 -5.420 173 H LYS 24 HN LYS 24 1.059 2.009 -7.399 174 HA LYS 24 HA LYS 24 2.310 0.885 -9.611 175 HB2 LYS 24 HB2 LYS 24 0.663 3.347 -9.218 176 HB3 LYS 24 HB1 LYS 24 1.192 2.772 -10.797 177 HG2 LYS 24 HG2 LYS 24 -0.235 0.984 -8.890 178 HG3 LYS 24 HG1 LYS 24 -1.162 2.073 -9.907 179 HD2 LYS 24 HD2 LYS 24 0.893 0.037 -10.907 180 HD3 LYS 24 HD1 LYS 24 -0.825 -0.290 -10.792 181 HE2 LYS 24 HE2 LYS 24 -1.377 1.202 -12.359 182 HE3 LYS 24 HE1 LYS 24 0.122 2.104 -12.289 183 HZ1 LYS 24 HZ1 LYS 24 1.248 0.218 -13.327 184 HZ2 LYS 24 HZ2 LYS 24 -0.010 0.730 -14.320 185 HZ3 LYS 24 HZ3 LYS 24 -0.186 -0.665 -13.406 186 H LYS 25 HN LYS 25 3.042 3.789 -7.711 187 HA LYS 25 HA LYS 25 4.871 4.886 -9.561 188 HB2 LYS 25 HB2 LYS 25 4.467 5.320 -6.600 189 HB3 LYS 25 HB1 LYS 25 5.438 6.347 -7.654 190 HG2 LYS 25 HG2 LYS 25 3.496 6.996 -8.895 191 HG3 LYS 25 HG1 LYS 25 2.490 5.859 -8.007 192 HD2 LYS 25 HD2 LYS 25 2.139 8.127 -7.183 193 HD3 LYS 25 HD1 LYS 25 2.892 7.140 -5.937 194 HE2 LYS 25 HE2 LYS 25 3.889 9.352 -6.038 195 HE3 LYS 25 HE1 LYS 25 5.067 8.119 -6.473 196 HZ1 LYS 25 HZ1 LYS 25 5.195 9.997 -7.946 197 HZ2 LYS 25 HZ2 LYS 25 3.580 9.862 -8.367 198 HZ3 LYS 25 HZ3 LYS 25 4.679 8.655 -8.810 199 H ARG 26 HN ARG 26 4.979 2.893 -6.769 200 HA ARG 26 HA ARG 26 7.828 2.834 -6.565 201 HB2 ARG 26 HB2 ARG 26 5.739 1.069 -5.350 202 HB3 ARG 26 HB1 ARG 26 7.444 0.994 -4.979 203 HG2 ARG 26 HG2 ARG 26 7.272 3.328 -4.092 204 HG3 ARG 26 HG1 ARG 26 5.541 3.241 -4.385 205 HD2 ARG 26 HD2 ARG 26 5.191 1.464 -2.935 206 HD3 ARG 26 HD1 ARG 26 6.893 1.064 -2.853 207 HE ARG 26 HE ARG 26 5.736 3.460 -1.570 208 HH11 ARG 26 HH11 ARG 26 7.962 0.711 -1.591 209 HH12 ARG 26 HH12 ARG 26 8.382 0.762 0.030 210 HH21 ARG 26 HH21 ARG 26 6.260 3.551 0.808 211 HH22 ARG 26 HH22 ARG 26 7.346 2.397 1.447 212 H GLY 27 HN GLY 27 5.340 0.641 -7.660 213 HA2 GLY 27 HA2 GLY 27 5.389 -0.961 -9.258 214 HA3 GLY 27 HA1 GLY 27 7.160 -0.961 -9.280 215 H VAL 28 HN VAL 28 5.613 -0.811 -6.273 216 HA VAL 28 HA VAL 28 5.378 -3.530 -5.626 217 HB VAL 28 HB VAL 28 7.811 -3.377 -6.058 218 HG11 VAL 28 HG11 VAL 28 8.249 -1.110 -5.396 219 HG12 VAL 28 HG12 VAL 28 9.278 -2.225 -4.492 220 HG13 VAL 28 HG13 VAL 28 7.868 -1.506 -3.714 221 HG21 VAL 28 HG21 VAL 28 7.026 -5.029 -4.644 222 HG22 VAL 28 HG22 VAL 28 6.952 -3.893 -3.292 223 HG23 VAL 28 HG23 VAL 28 8.539 -4.398 -3.941 224 H LEU 29 HN LEU 29 4.859 -3.787 -3.462 225 HA LEU 29 HA LEU 29 4.765 -1.412 -1.822 226 HB2 LEU 29 HB2 LEU 29 2.437 -3.096 -2.609 227 HB3 LEU 29 HB1 LEU 29 2.439 -2.305 -1.058 228 HG LEU 29 HG LEU 29 2.608 -0.914 -3.731 229 HD11 LEU 29 HD11 LEU 29 0.450 -2.034 -3.352 230 HD12 LEU 29 HD12 LEU 29 0.294 -0.283 -3.308 231 HD13 LEU 29 HD13 LEU 29 0.299 -1.203 -1.803 232 HD21 LEU 29 HD21 LEU 29 2.169 0.183 -0.951 233 HD22 LEU 29 HD22 LEU 29 2.134 1.107 -2.445 234 HD23 LEU 29 HD23 LEU 29 3.646 0.366 -1.902 235 H THR 30 HN THR 30 5.272 -1.901 0.271 236 HA THR 30 HA THR 30 5.787 -4.569 1.010 237 HB THR 30 HB THR 30 6.246 -3.552 3.265 238 HG1 THR 30 HG1 THR 30 5.740 -1.560 3.665 239 HG21 THR 30 HG21 THR 30 7.507 -2.304 0.885 240 HG22 THR 30 HG22 THR 30 8.014 -3.770 1.789 241 HG23 THR 30 HG23 THR 30 8.127 -2.169 2.536 242 H TYR 31 HN TYR 31 4.562 -5.883 2.211 243 HA TYR 31 HA TYR 31 1.754 -5.696 2.240 244 HB2 TYR 31 HB2 TYR 31 3.471 -7.386 4.081 245 HB3 TYR 31 HB1 TYR 31 1.734 -7.533 3.933 246 HD1 TYR 31 HD1 TYR 31 1.071 -7.705 1.234 247 HD2 TYR 31 HD2 TYR 31 4.626 -9.083 3.089 248 HE1 TYR 31 HE1 TYR 31 1.368 -9.352 -0.555 249 HE2 TYR 31 HE2 TYR 31 4.950 -10.720 1.298 250 HH TYR 31 HH TYR 31 3.471 -11.914 -0.328 251 H GLU 32 HN GLU 32 4.084 -4.790 4.689 252 HA GLU 32 HA GLU 32 2.040 -4.331 6.592 253 HB2 GLU 32 HB2 GLU 32 4.947 -3.550 6.702 254 HB3 GLU 32 HB1 GLU 32 3.818 -3.464 8.056 255 HG2 GLU 32 HG2 GLU 32 3.412 -5.918 7.756 256 HG3 GLU 32 HG1 GLU 32 4.735 -5.922 6.600 257 H GLU 33 HN GLU 33 3.357 -2.410 4.083 258 HA GLU 33 HA GLU 33 2.518 0.149 5.077 259 HB2 GLU 33 HB2 GLU 33 4.247 0.098 3.468 260 HB3 GLU 33 HB1 GLU 33 3.404 -1.065 2.480 261 HG2 GLU 33 HG2 GLU 33 3.577 0.928 1.412 262 HG3 GLU 33 HG1 GLU 33 1.866 0.696 1.760 263 H ILE 34 HN ILE 34 1.427 -2.303 2.870 264 HA ILE 34 HA ILE 34 -0.988 -1.188 2.049 265 HB ILE 34 HB ILE 34 -0.374 -4.140 2.367 266 HG12 ILE 34 HG12 ILE 34 -0.090 -2.339 -0.040 267 HG13 ILE 34 HG11 ILE 34 1.249 -2.864 0.978 268 HG21 ILE 34 HG21 ILE 34 -2.139 -4.427 0.653 269 HG22 ILE 34 HG22 ILE 34 -2.392 -2.689 0.666 270 HG23 ILE 34 HG23 ILE 34 -2.768 -3.636 2.106 271 HD11 ILE 34 HD11 ILE 34 1.123 -4.146 -1.053 272 HD12 ILE 34 HD12 ILE 34 -0.533 -4.629 -0.676 273 HD13 ILE 34 HD13 ILE 34 0.802 -5.180 0.338 274 H ALA 35 HN ALA 35 -0.289 -3.322 4.851 275 HA ALA 35 HA ALA 35 -2.924 -3.563 5.647 276 HB1 ALA 35 HB1 ALA 35 -1.231 -5.218 6.170 277 HB2 ALA 35 HB2 ALA 35 -1.981 -4.610 7.642 278 HB3 ALA 35 HB3 ALA 35 -0.373 -4.047 7.170 279 H GLU 36 HN GLU 36 -0.344 -1.294 6.234 280 HA GLU 36 HA GLU 36 -1.090 -0.310 8.753 281 HB2 GLU 36 HB2 GLU 36 1.166 -0.116 7.725 282 HB3 GLU 36 HB1 GLU 36 0.514 1.081 6.623 283 HG2 GLU 36 HG2 GLU 36 0.052 2.580 8.439 284 HG3 GLU 36 HG1 GLU 36 0.542 1.357 9.613 285 H ARG 37 HN ARG 37 -1.830 0.897 5.425 286 HA ARG 37 HA ARG 37 -3.129 3.191 6.384 287 HB2 ARG 37 HB2 ARG 37 -3.575 1.717 3.790 288 HB3 ARG 37 HB1 ARG 37 -3.867 3.413 4.114 289 HG2 ARG 37 HG2 ARG 37 -1.168 2.097 4.039 290 HG3 ARG 37 HG1 ARG 37 -1.897 2.995 2.714 291 HD2 ARG 37 HD2 ARG 37 -1.884 5.019 4.029 292 HD3 ARG 37 HD1 ARG 37 -1.258 4.128 5.430 293 HE ARG 37 HE ARG 37 0.685 3.572 3.870 294 HH11 ARG 37 HH11 ARG 37 -1.055 6.660 3.641 295 HH12 ARG 37 HH12 ARG 37 0.297 7.529 3.083 296 HH21 ARG 37 HH21 ARG 37 2.467 4.709 3.060 297 HH22 ARG 37 HH22 ARG 37 2.364 6.394 2.725 298 H MET 38 HN MET 38 -3.926 -0.127 5.950 299 HA MET 38 HA MET 38 -6.777 0.229 5.944 300 HB2 MET 38 HB2 MET 38 -5.156 -2.306 6.147 301 HB3 MET 38 HB1 MET 38 -6.889 -2.209 5.932 302 HG2 MET 38 HG2 MET 38 -4.802 -1.257 4.015 303 HG3 MET 38 HG1 MET 38 -5.806 -2.702 3.854 304 HE1 MET 38 HE1 MET 38 -6.639 -2.000 1.432 305 HE2 MET 38 HE2 MET 38 -5.500 -0.679 1.595 306 HE3 MET 38 HE3 MET 38 -7.145 -0.351 1.049 307 H SER 39 HN SER 39 -4.466 0.340 8.318 308 HA SER 39 HA SER 39 -5.815 -1.160 10.329 309 HB2 SER 39 HB2 SER 39 -3.708 0.994 10.603 310 HB3 SER 39 HB1 SER 39 -4.166 -0.180 11.840 311 HG SER 39 HG SER 39 -3.541 -1.368 9.453 312 H SER 40 HN SER 40 -6.409 1.761 8.846 313 HA SER 40 HA SER 40 -7.719 3.175 10.952 314 HB2 SER 40 HB2 SER 40 -8.242 3.373 7.986 315 HB3 SER 40 HB1 SER 40 -8.392 4.648 9.200 316 HG SER 40 HG SER 40 -6.220 3.873 7.774 317 H PHE 41 HN PHE 41 -8.409 0.564 8.853 318 HA PHE 41 HA PHE 41 -11.275 0.442 9.537 319 HB2 PHE 41 HB2 PHE 41 -9.748 -0.987 7.371 320 HB3 PHE 41 HB1 PHE 41 -11.487 -0.847 7.416 321 HD1 PHE 41 HD1 PHE 41 -12.144 1.849 7.657 322 HD2 PHE 41 HD2 PHE 41 -8.742 0.129 5.802 323 HE1 PHE 41 HE1 PHE 41 -11.857 3.877 6.303 324 HE2 PHE 41 HE2 PHE 41 -8.438 2.137 4.465 325 HZ PHE 41 HZ PHE 41 -9.981 4.012 4.722 326 H GLU 42 HN GLU 42 -11.560 -2.264 8.976 327 HA GLU 42 HA GLU 42 -9.535 -3.603 10.542 328 HB2 GLU 42 HB2 GLU 42 -11.327 -5.015 11.588 329 HB3 GLU 42 HB1 GLU 42 -11.363 -3.336 12.088 330 HG2 GLU 42 HG2 GLU 42 -13.196 -2.942 10.460 331 HG3 GLU 42 HG1 GLU 42 -13.179 -4.669 10.114 332 H ILE 43 HN ILE 43 -8.631 -4.168 8.625 333 HA ILE 43 HA ILE 43 -10.301 -5.741 6.837 334 HB ILE 43 HB ILE 43 -7.581 -4.597 6.287 335 HG12 ILE 43 HG12 ILE 43 -9.222 -2.831 6.725 336 HG13 ILE 43 HG11 ILE 43 -8.724 -2.833 5.039 337 HG21 ILE 43 HG21 ILE 43 -8.099 -5.026 3.954 338 HG22 ILE 43 HG22 ILE 43 -9.668 -5.673 4.416 339 HG23 ILE 43 HG23 ILE 43 -8.199 -6.522 4.895 340 HD11 ILE 43 HD11 ILE 43 -10.767 -4.038 4.463 341 HD12 ILE 43 HD12 ILE 43 -11.103 -2.467 5.206 342 HD13 ILE 43 HD13 ILE 43 -11.296 -3.956 6.147 343 H GLU 44 HN GLU 44 -10.193 -7.660 7.028 344 HA GLU 44 HA GLU 44 -8.219 -9.224 8.424 345 HB2 GLU 44 HB2 GLU 44 -10.394 -10.150 6.542 346 HB3 GLU 44 HB1 GLU 44 -9.555 -11.102 7.756 347 HG2 GLU 44 HG2 GLU 44 -10.490 -9.834 9.505 348 HG3 GLU 44 HG1 GLU 44 -11.274 -8.731 8.369 349 H SER 45 HN SER 45 -6.935 -10.810 7.541 350 HA SER 45 HA SER 45 -5.330 -9.922 5.474 351 HB2 SER 45 HB2 SER 45 -5.586 -12.617 6.756 352 HB3 SER 45 HB1 SER 45 -4.187 -12.095 5.786 353 HG SER 45 HG SER 45 -4.969 -11.468 8.358 354 H ASP 46 HN ASP 46 -8.075 -12.120 5.430 355 HA ASP 46 HA ASP 46 -7.636 -13.086 2.776 356 HB2 ASP 46 HB2 ASP 46 -10.202 -12.931 4.373 357 HB3 ASP 46 HB1 ASP 46 -10.077 -13.692 2.793 358 H GLN 47 HN GLN 47 -9.244 -10.299 4.110 359 HA GLN 47 HA GLN 47 -10.427 -9.478 1.633 360 HB2 GLN 47 HB2 GLN 47 -9.861 -7.817 4.066 361 HB3 GLN 47 HB1 GLN 47 -10.994 -7.436 2.771 362 HG2 GLN 47 HG2 GLN 47 -12.220 -9.559 3.424 363 HG3 GLN 47 HG1 GLN 47 -11.198 -9.591 4.846 364 HE21 GLN 47 HE21 GLN 47 -11.177 -6.606 4.924 365 HE22 GLN 47 HE22 GLN 47 -12.736 -6.188 5.524 366 H MET 48 HN MET 48 -7.465 -8.929 3.337 367 HA MET 48 HA MET 48 -6.432 -6.950 1.633 368 HB2 MET 48 HB2 MET 48 -5.055 -8.938 3.424 369 HB3 MET 48 HB1 MET 48 -4.141 -7.805 2.451 370 HG2 MET 48 HG2 MET 48 -6.214 -6.885 4.413 371 HG3 MET 48 HG1 MET 48 -4.573 -7.288 4.895 372 HE1 MET 48 HE1 MET 48 -5.510 -3.735 2.024 373 HE2 MET 48 HE2 MET 48 -6.725 -4.931 2.491 374 HE3 MET 48 HE3 MET 48 -5.399 -5.366 1.404 375 H ASP 49 HN ASP 49 -6.298 -10.452 1.614 376 HA ASP 49 HA ASP 49 -4.432 -10.910 -0.431 377 HB2 ASP 49 HB2 ASP 49 -5.215 -12.673 1.055 378 HB3 ASP 49 HB1 ASP 49 -6.825 -12.579 0.354 379 H GLU 50 HN GLU 50 -7.936 -10.478 -0.721 380 HA GLU 50 HA GLU 50 -7.865 -10.910 -3.479 381 HB2 GLU 50 HB2 GLU 50 -10.140 -9.836 -3.530 382 HB3 GLU 50 HB1 GLU 50 -9.978 -11.144 -2.369 383 HG2 GLU 50 HG2 GLU 50 -9.708 -9.509 -0.578 384 HG3 GLU 50 HG1 GLU 50 -9.875 -8.213 -1.759 385 H TYR 51 HN TYR 51 -7.378 -8.069 -1.514 386 HA TYR 51 HA TYR 51 -7.292 -6.215 -3.664 387 HB2 TYR 51 HB2 TYR 51 -7.659 -5.450 -1.370 388 HB3 TYR 51 HB1 TYR 51 -6.082 -6.050 -0.893 389 HD1 TYR 51 HD1 TYR 51 -7.192 -3.962 -3.835 390 HD2 TYR 51 HD2 TYR 51 -4.711 -4.275 -0.377 391 HE1 TYR 51 HE1 TYR 51 -6.160 -1.827 -4.374 392 HE2 TYR 51 HE2 TYR 51 -3.677 -2.121 -0.948 393 HH TYR 51 HH TYR 51 -4.929 -0.015 -3.230 394 H TYR 52 HN TYR 52 -4.909 -8.304 -2.101 395 HA TYR 52 HA TYR 52 -2.618 -7.229 -3.273 396 HB2 TYR 52 HB2 TYR 52 -3.147 -10.087 -2.426 397 HB3 TYR 52 HB1 TYR 52 -1.572 -9.510 -2.948 398 HD1 TYR 52 HD1 TYR 52 -1.748 -6.780 -1.521 399 HD2 TYR 52 HD2 TYR 52 -2.553 -10.747 -0.223 400 HE1 TYR 52 HE1 TYR 52 -1.261 -6.133 0.768 401 HE2 TYR 52 HE2 TYR 52 -2.072 -10.079 2.095 402 HH TYR 52 HH TYR 52 -0.769 -8.358 3.244 403 H GLU 53 HN GLU 53 -4.827 -9.735 -4.400 404 HA GLU 53 HA GLU 53 -3.558 -10.424 -6.777 405 HB2 GLU 53 HB2 GLU 53 -5.598 -11.500 -5.614 406 HB3 GLU 53 HB1 GLU 53 -6.550 -10.265 -6.419 407 HG2 GLU 53 HG2 GLU 53 -6.656 -12.269 -7.704 408 HG3 GLU 53 HG1 GLU 53 -5.684 -11.090 -8.587 409 H PHE 54 HN PHE 54 -5.896 -7.936 -6.002 410 HA PHE 54 HA PHE 54 -6.345 -6.860 -8.542 411 HB2 PHE 54 HB2 PHE 54 -7.860 -6.249 -6.817 412 HB3 PHE 54 HB1 PHE 54 -6.559 -5.739 -5.753 413 HD1 PHE 54 HD1 PHE 54 -8.590 -4.814 -8.667 414 HD2 PHE 54 HD2 PHE 54 -5.604 -3.619 -5.917 415 HE1 PHE 54 HE1 PHE 54 -8.814 -2.465 -9.423 416 HE2 PHE 54 HE2 PHE 54 -5.815 -1.302 -6.655 417 HZ PHE 54 HZ PHE 54 -7.371 -0.716 -8.380 418 H LEU 55 HN LEU 55 -4.083 -5.886 -6.009 419 HA LEU 55 HA LEU 55 -2.845 -3.803 -7.313 420 HB2 LEU 55 HB2 LEU 55 -1.853 -5.716 -5.240 421 HB3 LEU 55 HB1 LEU 55 -0.842 -4.412 -5.818 422 HG LEU 55 HG LEU 55 -3.536 -4.022 -4.532 423 HD11 LEU 55 HD11 LEU 55 -1.955 -4.964 -2.952 424 HD12 LEU 55 HD12 LEU 55 -2.217 -3.248 -2.604 425 HD13 LEU 55 HD13 LEU 55 -0.748 -3.770 -3.423 426 HD21 LEU 55 HD21 LEU 55 -1.327 -2.084 -5.246 427 HD22 LEU 55 HD22 LEU 55 -2.819 -1.688 -4.392 428 HD23 LEU 55 HD23 LEU 55 -2.885 -2.212 -6.063 429 H GLY 56 HN GLY 56 -2.024 -7.205 -7.272 430 HA2 GLY 56 HA2 GLY 56 0.294 -7.149 -8.834 431 HA3 GLY 56 HA1 GLY 56 -0.796 -8.527 -8.713 432 H GLU 57 HN GLU 57 -3.103 -7.342 -9.803 433 HA GLU 57 HA GLU 57 -2.706 -7.632 -12.518 434 HB2 GLU 57 HB2 GLU 57 -4.946 -6.463 -10.916 435 HB3 GLU 57 HB1 GLU 57 -5.035 -6.738 -12.649 436 HG2 GLU 57 HG2 GLU 57 -4.493 -8.855 -10.593 437 HG3 GLU 57 HG1 GLU 57 -6.069 -8.549 -11.320 438 H GLN 58 HN GLN 58 -2.874 -4.731 -10.531 439 HA GLN 58 HA GLN 58 -2.899 -2.878 -12.737 440 HB2 GLN 58 HB2 GLN 58 -2.022 -2.323 -9.886 441 HB3 GLN 58 HB1 GLN 58 -2.564 -1.154 -11.084 442 HG2 GLN 58 HG2 GLN 58 -4.266 -3.298 -9.862 443 HG3 GLN 58 HG1 GLN 58 -4.268 -1.593 -9.422 444 HE21 GLN 58 HE21 GLN 58 -6.322 -3.374 -10.557 445 HE22 GLN 58 HE22 GLN 58 -6.898 -2.574 -11.959 446 H GLY 59 HN GLY 59 -0.464 -4.239 -10.690 447 HA2 GLY 59 HA2 GLY 59 1.610 -4.743 -12.116 448 HA3 GLY 59 HA1 GLY 59 1.586 -3.012 -12.429 449 H VAL 60 HN VAL 60 0.801 -4.500 -9.351 450 HA VAL 60 HA VAL 60 3.205 -3.234 -8.265 451 HB VAL 60 HB VAL 60 0.656 -3.843 -6.770 452 HG11 VAL 60 HG11 VAL 60 3.032 -2.169 -6.043 453 HG12 VAL 60 HG12 VAL 60 2.619 -3.755 -5.399 454 HG13 VAL 60 HG13 VAL 60 1.571 -2.374 -5.076 455 HG21 VAL 60 HG21 VAL 60 1.573 -1.218 -7.916 456 HG22 VAL 60 HG22 VAL 60 0.167 -1.430 -6.865 457 HG23 VAL 60 HG23 VAL 60 0.188 -2.149 -8.482 458 H GLU 61 HN GLU 61 4.588 -4.577 -7.434 459 HA GLU 61 HA GLU 61 3.836 -7.335 -6.940 460 HB2 GLU 61 HB2 GLU 61 6.482 -5.885 -7.036 461 HB3 GLU 61 HB1 GLU 61 6.319 -7.620 -6.762 462 HG2 GLU 61 HG2 GLU 61 5.300 -7.914 -8.859 463 HG3 GLU 61 HG1 GLU 61 5.263 -6.185 -9.188 464 H LEU 62 HN LEU 62 3.871 -8.143 -4.832 465 HA LEU 62 HA LEU 62 4.123 -6.031 -2.855 466 HB2 LEU 62 HB2 LEU 62 2.829 -8.713 -2.534 467 HB3 LEU 62 HB1 LEU 62 2.763 -7.380 -1.411 468 HG LEU 62 HG LEU 62 0.752 -7.175 -2.293 469 HD11 LEU 62 HD11 LEU 62 1.679 -5.096 -2.685 470 HD12 LEU 62 HD12 LEU 62 0.463 -5.483 -3.900 471 HD13 LEU 62 HD13 LEU 62 2.182 -5.576 -4.309 472 HD21 LEU 62 HD21 LEU 62 0.017 -7.700 -4.567 473 HD22 LEU 62 HD22 LEU 62 0.656 -9.047 -3.669 474 HD23 LEU 62 HD23 LEU 62 1.653 -8.284 -4.939 475 H ILE 63 HN ILE 63 5.783 -5.944 -1.545 476 HA ILE 63 HA ILE 63 7.315 -8.396 -0.936 477 HB ILE 63 HB ILE 63 9.141 -6.872 -0.145 478 HG12 ILE 63 HG12 ILE 63 7.445 -4.716 -1.398 479 HG13 ILE 63 HG11 ILE 63 7.784 -4.920 0.313 480 HG21 ILE 63 HG21 ILE 63 9.206 -7.846 -2.364 481 HG22 ILE 63 HG22 ILE 63 9.945 -6.231 -2.275 482 HG23 ILE 63 HG23 ILE 63 8.321 -6.419 -2.966 483 HD11 ILE 63 HD11 ILE 63 9.145 -3.144 -0.676 484 HD12 ILE 63 HD12 ILE 63 9.826 -4.305 -1.815 485 HD13 ILE 63 HD13 ILE 63 10.152 -4.469 -0.092 486 H SER 64 HN SER 64 8.444 -7.971 1.444 487 HA SER 64 HA SER 64 6.164 -7.972 3.108 488 HB2 SER 64 HB2 SER 64 8.319 -9.477 3.266 489 HB3 SER 64 HB1 SER 64 8.972 -8.114 4.017 490 HG SER 64 HG SER 64 6.799 -9.581 5.020 491 H GLU 65 HN GLU 65 9.164 -6.409 3.682 492 HA GLU 65 HA GLU 65 8.912 -3.784 3.660 493 HB2 GLU 65 HB2 GLU 65 6.804 -4.112 5.167 494 HB3 GLU 65 HB1 GLU 65 8.005 -4.418 6.430 495 HG2 GLU 65 HG2 GLU 65 8.759 -2.243 6.474 496 HG3 GLU 65 HG1 GLU 65 8.285 -1.933 4.810 497 H ASN 66 HN ASN 66 10.051 -6.531 5.103 498 HA ASN 66 HA ASN 66 12.150 -5.367 6.681 499 HB2 ASN 66 HB2 ASN 66 11.533 -8.108 5.663 500 HB3 ASN 66 HB1 ASN 66 12.953 -7.774 6.679 501 HD21 ASN 66 HD21 ASN 66 9.598 -8.475 6.526 502 HD22 ASN 66 HD22 ASN 66 9.291 -8.383 8.206 503 H GLU 67 HN GLU 67 11.456 -6.064 3.562 504 HA GLU 67 HA GLU 67 14.134 -5.452 2.618 505 HB2 GLU 67 HB2 GLU 67 13.463 -6.653 0.540 506 HB3 GLU 67 HB1 GLU 67 13.166 -7.624 2.008 507 HG2 GLU 67 HG2 GLU 67 10.921 -6.039 1.063 508 HG3 GLU 67 HG1 GLU 67 11.319 -7.441 0.067 509 H GLU 68 HN GLU 68 14.108 -3.976 0.921 510 HA GLU 68 HA GLU 68 11.936 -2.668 -0.135 511 HB2 GLU 68 HB2 GLU 68 11.713 -1.706 2.143 512 HB3 GLU 68 HB1 GLU 68 13.373 -1.110 2.056 513 HG2 GLU 68 HG2 GLU 68 11.816 0.698 1.722 514 HG3 GLU 68 HG1 GLU 68 12.692 0.378 0.227 515 H THR 69 HN THR 69 12.860 -1.267 -1.837 516 HA THR 69 HA THR 69 15.769 -1.330 -1.779 517 HB THR 69 HB THR 69 15.712 -1.531 -4.349 518 HG1 THR 69 HG1 THR 69 13.137 -2.449 -3.607 519 HG21 THR 69 HG21 THR 69 16.514 -3.322 -2.875 520 HG22 THR 69 HG22 THR 69 15.594 -3.988 -4.223 521 HG23 THR 69 HG23 THR 69 14.855 -3.869 -2.628 522 H GLU 70 HN GLU 70 13.324 0.730 -1.893 523 HA GLU 70 HA GLU 70 14.750 2.717 -3.429 524 HB2 GLU 70 HB2 GLU 70 12.867 4.208 -2.754 525 HB3 GLU 70 HB1 GLU 70 12.368 2.753 -3.600 526 HG2 GLU 70 HG2 GLU 70 11.790 1.691 -1.543 527 HG3 GLU 70 HG1 GLU 70 12.384 3.063 -0.635 528 H ASP 71 HN ASP 71 14.796 1.487 -0.382 529 HA ASP 71 HA ASP 71 16.015 3.891 0.757 530 HB2 ASP 71 HB2 ASP 71 13.764 3.406 1.747 531 HB3 ASP 71 HB1 ASP 71 14.384 1.818 2.198 532 H LEU 72 HN LEU 72 18.008 3.171 0.173 533 HA LEU 72 HA LEU 72 19.090 0.940 1.726 534 HB2 LEU 72 HB2 LEU 72 19.471 1.364 -1.238 535 HB3 LEU 72 HB1 LEU 72 20.484 0.318 -0.273 536 HG LEU 72 HG LEU 72 17.515 -0.068 -0.716 537 HD11 LEU 72 HD11 LEU 72 18.204 -1.943 -2.139 538 HD12 LEU 72 HD12 LEU 72 19.890 -1.453 -1.941 539 HD13 LEU 72 HD13 LEU 72 18.757 -0.393 -2.775 540 HD21 LEU 72 HD21 LEU 72 17.899 -2.279 0.252 541 HD22 LEU 72 HD22 LEU 72 18.307 -1.008 1.402 542 HD23 LEU 72 HD23 LEU 72 19.587 -1.867 0.543 543 H GLU 73 HN GLU 73 20.023 3.473 -0.602 544 HA GLU 73 HA GLU 73 22.509 3.827 0.837 545 HB2 GLU 73 HB2 GLU 73 21.551 4.853 -1.816 546 HB3 GLU 73 HB1 GLU 73 23.029 5.432 -1.059 547 HG2 GLU 73 HG2 GLU 73 22.455 2.566 -1.775 548 HG3 GLU 73 HG1 GLU 73 23.439 3.681 -2.725 549 H HIS 74 HN HIS 74 21.654 4.746 2.715 550 HA HIS 74 HA HIS 74 22.070 7.484 2.869 551 HB2 HIS 74 HB2 HIS 74 19.434 6.957 2.074 552 HB3 HIS 74 HB1 HIS 74 19.325 7.263 3.807 553 HD1 HIS 74 HD1 HIS 74 19.684 9.787 4.580 554 HD2 HIS 74 HD2 HIS 74 20.359 9.065 0.534 555 HE1 HIS 74 HE1 HIS 74 19.879 12.019 3.496 556 H HIS 75 HN HIS 75 23.232 7.196 4.658 557 HA HIS 75 HA HIS 75 22.379 5.395 6.731 558 HB2 HIS 75 HB2 HIS 75 24.687 7.342 6.616 559 HB3 HIS 75 HB1 HIS 75 24.373 6.275 7.981 560 HD1 HIS 75 HD1 HIS 75 26.232 6.419 4.891 561 HD2 HIS 75 HD2 HIS 75 24.454 3.458 7.185 562 HE1 HIS 75 HE1 HIS 75 27.258 4.251 4.144 563 H HIS 76 HN HIS 76 22.582 8.855 6.248 564 HA HIS 76 HA HIS 76 20.606 9.155 8.326 565 HB2 HIS 76 HB2 HIS 76 23.142 10.810 8.112 566 HB3 HIS 76 HB1 HIS 76 21.764 11.242 9.115 567 HD1 HIS 76 HD1 HIS 76 21.504 9.918 11.369 568 HD2 HIS 76 HD2 HIS 76 24.752 8.753 9.063 569 HE1 HIS 76 HE1 HIS 76 22.897 8.416 12.829 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -12.837 6.885 -7.050 2 H2 ALA 1 HT2 ALA 1 -12.376 8.168 -6.041 3 H3 ALA 1 HT3 ALA 1 -11.237 7.135 -6.695 4 HA ALA 1 HA ALA 1 -11.579 7.858 -8.860 5 HB1 ALA 1 HB1 ALA 1 -13.214 9.570 -9.443 6 HB2 ALA 1 HB2 ALA 1 -13.742 9.649 -7.763 7 HB3 ALA 1 HB3 ALA 1 -14.012 8.176 -8.705 8 H ASP 2 HN ASP 2 -12.215 10.388 -6.393 9 HA ASP 2 HA ASP 2 -9.738 11.685 -7.292 10 HB2 ASP 2 HB2 ASP 2 -12.057 12.897 -7.484 11 HB3 ASP 2 HB1 ASP 2 -11.963 13.045 -5.741 12 H LYS 3 HN LYS 3 -9.510 13.336 -5.075 13 HA LYS 3 HA LYS 3 -8.298 11.523 -3.164 14 HB2 LYS 3 HB2 LYS 3 -8.281 14.512 -3.529 15 HB3 LYS 3 HB1 LYS 3 -7.400 13.671 -2.269 16 HG2 LYS 3 HG2 LYS 3 -5.991 12.597 -3.838 17 HG3 LYS 3 HG1 LYS 3 -6.990 13.129 -5.193 18 HD2 LYS 3 HD2 LYS 3 -5.742 15.150 -3.374 19 HD3 LYS 3 HD1 LYS 3 -4.768 14.383 -4.617 20 HE2 LYS 3 HE2 LYS 3 -5.655 16.517 -5.397 21 HE3 LYS 3 HE1 LYS 3 -6.289 15.184 -6.345 22 HZ1 LYS 3 HZ1 LYS 3 -8.449 15.456 -5.226 23 HZ2 LYS 3 HZ2 LYS 3 -7.921 16.904 -5.836 24 HZ3 LYS 3 HZ3 LYS 3 -7.790 16.631 -4.192 25 H GLN 4 HN GLN 4 -8.572 12.165 -0.818 26 HA GLN 4 HA GLN 4 -11.414 12.562 -0.285 27 HB2 GLN 4 HB2 GLN 4 -9.859 10.644 0.642 28 HB3 GLN 4 HB1 GLN 4 -9.327 11.883 1.768 29 HG2 GLN 4 HG2 GLN 4 -12.135 10.835 1.448 30 HG3 GLN 4 HG1 GLN 4 -10.999 10.492 2.751 31 HE21 GLN 4 HE21 GLN 4 -13.189 12.773 1.399 32 HE22 GLN 4 HE22 GLN 4 -13.229 13.826 2.759 33 H THR 5 HN THR 5 -11.825 14.709 -0.134 34 HA THR 5 HA THR 5 -9.762 16.466 0.854 35 HB THR 5 HB THR 5 -11.337 18.190 -0.170 36 HG1 THR 5 HG1 THR 5 -12.630 17.041 -1.840 37 HG21 THR 5 HG21 THR 5 -10.555 17.656 -2.421 38 HG22 THR 5 HG22 THR 5 -10.165 16.016 -1.905 39 HG23 THR 5 HG23 THR 5 -9.276 17.388 -1.243 40 H HIS 6 HN HIS 6 -10.352 18.253 2.211 41 HA HIS 6 HA HIS 6 -11.229 19.361 3.925 42 HB2 HIS 6 HB2 HIS 6 -13.743 17.743 3.443 43 HB3 HIS 6 HB1 HIS 6 -13.630 19.005 4.660 44 HD1 HIS 6 HD1 HIS 6 -14.810 18.587 1.292 45 HD2 HIS 6 HD2 HIS 6 -12.707 21.557 3.314 46 HE1 HIS 6 HE1 HIS 6 -15.110 20.680 -0.045 47 H GLU 7 HN GLU 7 -12.150 15.978 4.264 48 HA GLU 7 HA GLU 7 -11.159 16.085 7.014 49 HB2 GLU 7 HB2 GLU 7 -12.516 13.806 5.540 50 HB3 GLU 7 HB1 GLU 7 -12.119 13.837 7.243 51 HG2 GLU 7 HG2 GLU 7 -13.724 15.673 7.561 52 HG3 GLU 7 HG1 GLU 7 -14.142 15.577 5.850 53 H THR 8 HN THR 8 -9.988 13.764 7.423 54 HA THR 8 HA THR 8 -8.293 13.254 5.136 55 HB THR 8 HB THR 8 -6.921 14.624 6.560 56 HG1 THR 8 HG1 THR 8 -6.327 11.869 6.722 57 HG21 THR 8 HG21 THR 8 -8.219 14.357 8.502 58 HG22 THR 8 HG22 THR 8 -6.506 14.034 8.885 59 HG23 THR 8 HG23 THR 8 -7.679 12.693 8.678 60 H GLU 9 HN GLU 9 -10.631 12.020 6.415 61 HA GLU 9 HA GLU 9 -9.457 9.443 7.072 62 HB2 GLU 9 HB2 GLU 9 -12.187 10.540 7.591 63 HB3 GLU 9 HB1 GLU 9 -11.678 8.908 8.054 64 HG2 GLU 9 HG2 GLU 9 -10.758 11.552 9.126 65 HG3 GLU 9 HG1 GLU 9 -11.593 10.286 10.013 66 H LEU 10 HN LEU 10 -9.421 8.139 5.456 67 HA LEU 10 HA LEU 10 -11.190 8.713 3.184 68 HB2 LEU 10 HB2 LEU 10 -8.919 6.833 2.870 69 HB3 LEU 10 HB1 LEU 10 -9.607 7.987 1.751 70 HG LEU 10 HG LEU 10 -8.484 9.737 3.355 71 HD11 LEU 10 HD11 LEU 10 -6.411 8.930 4.323 72 HD12 LEU 10 HD12 LEU 10 -6.777 7.309 3.702 73 HD13 LEU 10 HD13 LEU 10 -7.795 7.998 4.953 74 HD21 LEU 10 HD21 LEU 10 -6.553 9.717 1.873 75 HD22 LEU 10 HD22 LEU 10 -8.035 9.380 0.964 76 HD23 LEU 10 HD23 LEU 10 -6.939 8.062 1.379 77 H THR 11 HN THR 11 -11.697 6.747 1.840 78 HA THR 11 HA THR 11 -12.905 4.943 3.745 79 HB THR 11 HB THR 11 -14.542 4.400 2.021 80 HG1 THR 11 HG1 THR 11 -14.189 5.215 -0.133 81 HG21 THR 11 HG21 THR 11 -15.403 6.569 1.356 82 HG22 THR 11 HG22 THR 11 -13.824 7.287 1.620 83 HG23 THR 11 HG23 THR 11 -14.757 6.696 3.005 84 H PHE 12 HN PHE 12 -13.187 2.631 2.714 85 HA PHE 12 HA PHE 12 -10.645 1.522 2.559 86 HB2 PHE 12 HB2 PHE 12 -12.569 0.239 3.341 87 HB3 PHE 12 HB1 PHE 12 -13.338 0.371 1.765 88 HD1 PHE 12 HD1 PHE 12 -13.409 -1.657 0.712 89 HD2 PHE 12 HD2 PHE 12 -9.942 -0.608 2.926 90 HE1 PHE 12 HE1 PHE 12 -12.327 -3.748 0.012 91 HE2 PHE 12 HE2 PHE 12 -8.862 -2.692 2.233 92 HZ PHE 12 HZ PHE 12 -10.027 -4.255 0.785 93 H ASP 13 HN ASP 13 -12.982 2.331 0.200 94 HA ASP 13 HA ASP 13 -11.444 1.596 -2.035 95 HB2 ASP 13 HB2 ASP 13 -13.851 3.373 -1.877 96 HB3 ASP 13 HB1 ASP 13 -12.965 3.127 -3.384 97 H GLN 14 HN GLN 14 -11.517 4.474 -0.252 98 HA GLN 14 HA GLN 14 -10.046 6.009 -2.231 99 HB2 GLN 14 HB2 GLN 14 -10.382 6.548 0.706 100 HB3 GLN 14 HB1 GLN 14 -9.692 7.693 -0.436 101 HG2 GLN 14 HG2 GLN 14 -12.536 6.677 -0.399 102 HG3 GLN 14 HG1 GLN 14 -11.993 8.254 0.146 103 HE21 GLN 14 HE21 GLN 14 -10.169 8.573 -2.045 104 HE22 GLN 14 HE22 GLN 14 -11.096 8.927 -3.447 105 H VAL 15 HN VAL 15 -9.339 4.079 0.543 106 HA VAL 15 HA VAL 15 -6.615 4.825 0.640 107 HB VAL 15 HB VAL 15 -8.126 2.626 2.068 108 HG11 VAL 15 HG11 VAL 15 -6.002 2.272 3.343 109 HG12 VAL 15 HG12 VAL 15 -5.223 3.450 2.242 110 HG13 VAL 15 HG13 VAL 15 -5.788 1.933 1.616 111 HG21 VAL 15 HG21 VAL 15 -6.838 5.202 2.955 112 HG22 VAL 15 HG22 VAL 15 -7.572 4.016 4.027 113 HG23 VAL 15 HG23 VAL 15 -8.567 4.857 2.837 114 H LYS 16 HN LYS 16 -8.468 2.035 -0.645 115 HA LYS 16 HA LYS 16 -6.385 0.665 -1.623 116 HB2 LYS 16 HB2 LYS 16 -9.211 1.109 -2.369 117 HB3 LYS 16 HB1 LYS 16 -8.219 0.245 -3.506 118 HG2 LYS 16 HG2 LYS 16 -7.676 -1.353 -1.567 119 HG3 LYS 16 HG1 LYS 16 -8.907 -0.493 -0.649 120 HD2 LYS 16 HD2 LYS 16 -9.375 -1.976 -3.252 121 HD3 LYS 16 HD1 LYS 16 -9.750 -2.592 -1.647 122 HE2 LYS 16 HE2 LYS 16 -11.319 -0.759 -1.300 123 HE3 LYS 16 HE1 LYS 16 -10.900 -0.128 -2.888 124 HZ1 LYS 16 HZ1 LYS 16 -12.259 -2.727 -2.371 125 HZ2 LYS 16 HZ2 LYS 16 -11.825 -2.149 -3.888 126 HZ3 LYS 16 HZ3 LYS 16 -12.961 -1.324 -2.970 127 H GLU 17 HN GLU 17 -8.152 3.398 -3.049 128 HA GLU 17 HA GLU 17 -6.584 3.463 -5.330 129 HB2 GLU 17 HB2 GLU 17 -8.185 5.664 -4.053 130 HB3 GLU 17 HB1 GLU 17 -7.439 5.784 -5.641 131 HG2 GLU 17 HG2 GLU 17 -8.751 3.872 -6.402 132 HG3 GLU 17 HG1 GLU 17 -9.518 3.771 -4.822 133 H GLN 18 HN GLN 18 -5.826 4.783 -2.088 134 HA GLN 18 HA GLN 18 -3.821 6.449 -3.107 135 HB2 GLN 18 HB2 GLN 18 -3.204 7.013 -0.835 136 HB3 GLN 18 HB1 GLN 18 -4.935 6.696 -0.864 137 HG2 GLN 18 HG2 GLN 18 -4.698 4.633 0.171 138 HG3 GLN 18 HG1 GLN 18 -2.952 4.681 -0.002 139 HE21 GLN 18 HE21 GLN 18 -5.656 6.060 1.721 140 HE22 GLN 18 HE22 GLN 18 -4.721 6.729 3.018 141 H LEU 19 HN LEU 19 -3.864 3.373 -1.690 142 HA LEU 19 HA LEU 19 -1.131 2.833 -1.757 143 HB2 LEU 19 HB2 LEU 19 -3.619 1.295 -1.565 144 HB3 LEU 19 HB1 LEU 19 -2.093 0.480 -1.615 145 HG LEU 19 HG LEU 19 -3.057 2.461 0.482 146 HD11 LEU 19 HD11 LEU 19 -3.047 0.569 1.985 147 HD12 LEU 19 HD12 LEU 19 -2.501 -0.454 0.652 148 HD13 LEU 19 HD13 LEU 19 -4.099 0.289 0.582 149 HD21 LEU 19 HD21 LEU 19 -0.640 2.709 0.229 150 HD22 LEU 19 HD22 LEU 19 -0.448 0.960 0.318 151 HD23 LEU 19 HD23 LEU 19 -1.004 1.846 1.730 152 H THR 20 HN THR 20 -3.775 2.090 -3.949 153 HA THR 20 HA THR 20 -2.429 0.532 -5.796 154 HB THR 20 HB THR 20 -4.742 2.426 -5.975 155 HG1 THR 20 HG1 THR 20 -5.133 0.556 -4.893 156 HG21 THR 20 HG21 THR 20 -3.762 2.467 -8.164 157 HG22 THR 20 HG22 THR 20 -5.283 1.574 -8.220 158 HG23 THR 20 HG23 THR 20 -3.732 0.699 -8.263 159 H GLU 21 HN GLU 21 -2.855 4.043 -5.677 160 HA GLU 21 HA GLU 21 -1.641 4.674 -8.128 161 HB2 GLU 21 HB2 GLU 21 -3.201 5.904 -6.586 162 HB3 GLU 21 HB1 GLU 21 -1.809 6.377 -5.638 163 HG2 GLU 21 HG2 GLU 21 -2.357 7.085 -8.516 164 HG3 GLU 21 HG1 GLU 21 -2.581 8.140 -7.125 165 H SER 22 HN SER 22 -0.559 4.475 -4.905 166 HA SER 22 HA SER 22 2.092 5.490 -5.202 167 HB2 SER 22 HB2 SER 22 1.068 3.661 -3.031 168 HB3 SER 22 HB1 SER 22 2.522 4.654 -2.957 169 HG SER 22 HG SER 22 -0.193 5.454 -2.972 170 H GLY 23 HN GLY 23 0.841 2.228 -5.021 171 HA2 GLY 23 HA2 GLY 23 3.299 0.842 -5.307 172 HA3 GLY 23 HA1 GLY 23 1.718 0.184 -5.727 173 H LYS 24 HN LYS 24 1.041 2.177 -7.583 174 HA LYS 24 HA LYS 24 2.219 1.147 -9.891 175 HB2 LYS 24 HB2 LYS 24 0.412 3.448 -9.358 176 HB3 LYS 24 HB1 LYS 24 0.901 2.920 -10.971 177 HG2 LYS 24 HG2 LYS 24 -0.241 1.039 -8.977 178 HG3 LYS 24 HG1 LYS 24 -1.330 2.011 -9.943 179 HD2 LYS 24 HD2 LYS 24 0.859 0.142 -11.029 180 HD3 LYS 24 HD1 LYS 24 -0.813 -0.334 -10.840 181 HE2 LYS 24 HE2 LYS 24 -1.552 1.115 -12.397 182 HE3 LYS 24 HE1 LYS 24 -0.086 2.084 -12.448 183 HZ1 LYS 24 HZ1 LYS 24 -0.327 0.658 -14.394 184 HZ2 LYS 24 HZ2 LYS 24 -0.324 -0.729 -13.440 185 HZ3 LYS 24 HZ3 LYS 24 1.050 0.251 -13.528 186 H LYS 25 HN LYS 25 2.942 4.009 -7.996 187 HA LYS 25 HA LYS 25 4.549 5.254 -9.946 188 HB2 LYS 25 HB2 LYS 25 4.545 5.457 -6.940 189 HB3 LYS 25 HB1 LYS 25 5.347 6.586 -8.030 190 HG2 LYS 25 HG2 LYS 25 3.200 7.268 -8.917 191 HG3 LYS 25 HG1 LYS 25 2.384 6.049 -7.938 192 HD2 LYS 25 HD2 LYS 25 2.098 8.133 -6.835 193 HD3 LYS 25 HD1 LYS 25 3.289 7.227 -5.908 194 HE2 LYS 25 HE2 LYS 25 3.970 9.536 -6.116 195 HE3 LYS 25 HE1 LYS 25 5.084 8.509 -7.012 196 HZ1 LYS 25 HZ1 LYS 25 2.832 10.014 -8.234 197 HZ2 LYS 25 HZ2 LYS 25 3.980 9.127 -9.055 198 HZ3 LYS 25 HZ3 LYS 25 4.434 10.522 -8.247 199 H ARG 26 HN ARG 26 5.078 3.135 -7.313 200 HA ARG 26 HA ARG 26 7.978 3.230 -7.526 201 HB2 ARG 26 HB2 ARG 26 6.349 1.390 -5.812 202 HB3 ARG 26 HB1 ARG 26 8.034 1.831 -5.603 203 HG2 ARG 26 HG2 ARG 26 7.401 4.081 -4.993 204 HG3 ARG 26 HG1 ARG 26 5.701 3.713 -5.308 205 HD2 ARG 26 HD2 ARG 26 5.955 1.829 -3.653 206 HD3 ARG 26 HD1 ARG 26 7.486 2.577 -3.181 207 HE ARG 26 HE ARG 26 5.601 4.538 -3.029 208 HH11 ARG 26 HH11 ARG 26 6.315 1.429 -1.515 209 HH12 ARG 26 HH12 ARG 26 5.272 1.636 -0.186 210 HH21 ARG 26 HH21 ARG 26 4.142 4.873 -1.078 211 HH22 ARG 26 HH22 ARG 26 4.079 3.581 0.055 212 H GLY 27 HN GLY 27 5.473 0.792 -7.816 213 HA2 GLY 27 HA2 GLY 27 5.466 -0.982 -9.326 214 HA3 GLY 27 HA1 GLY 27 7.239 -0.979 -9.328 215 H VAL 28 HN VAL 28 5.739 -0.443 -6.303 216 HA VAL 28 HA VAL 28 5.546 -3.130 -5.428 217 HB VAL 28 HB VAL 28 7.986 -2.794 -5.845 218 HG11 VAL 28 HG11 VAL 28 7.811 -0.969 -3.496 219 HG12 VAL 28 HG12 VAL 28 8.186 -0.530 -5.165 220 HG13 VAL 28 HG13 VAL 28 9.316 -1.544 -4.245 221 HG21 VAL 28 HG21 VAL 28 7.123 -3.422 -3.079 222 HG22 VAL 28 HG22 VAL 28 8.705 -3.852 -3.768 223 HG23 VAL 28 HG23 VAL 28 7.215 -4.532 -4.448 224 H LEU 29 HN LEU 29 4.982 -3.270 -3.312 225 HA LEU 29 HA LEU 29 4.762 -0.900 -1.683 226 HB2 LEU 29 HB2 LEU 29 2.500 -2.681 -2.512 227 HB3 LEU 29 HB1 LEU 29 2.433 -1.795 -1.015 228 HG LEU 29 HG LEU 29 2.638 -0.555 -3.759 229 HD11 LEU 29 HD11 LEU 29 0.278 0.033 -3.376 230 HD12 LEU 29 HD12 LEU 29 0.309 -0.899 -1.875 231 HD13 LEU 29 HD13 LEU 29 0.525 -1.715 -3.421 232 HD21 LEU 29 HD21 LEU 29 2.103 0.638 -1.044 233 HD22 LEU 29 HD22 LEU 29 2.037 1.498 -2.585 234 HD23 LEU 29 HD23 LEU 29 3.574 0.852 -2.003 235 H THR 30 HN THR 30 5.147 -1.516 0.464 236 HA THR 30 HA THR 30 5.715 -4.252 1.064 237 HB THR 30 HB THR 30 5.900 -3.468 3.445 238 HG1 THR 30 HG1 THR 30 5.316 -0.936 2.293 239 HG21 THR 30 HG21 THR 30 7.859 -1.990 3.077 240 HG22 THR 30 HG22 THR 30 7.492 -2.034 1.334 241 HG23 THR 30 HG23 THR 30 7.859 -3.525 2.226 242 H TYR 31 HN TYR 31 4.527 -5.715 2.233 243 HA TYR 31 HA TYR 31 1.733 -5.711 2.088 244 HB2 TYR 31 HB2 TYR 31 3.532 -7.297 3.962 245 HB3 TYR 31 HB1 TYR 31 1.805 -7.541 3.842 246 HD1 TYR 31 HD1 TYR 31 0.851 -8.408 1.727 247 HD2 TYR 31 HD2 TYR 31 5.082 -8.318 2.362 248 HE1 TYR 31 HE1 TYR 31 1.165 -10.071 -0.039 249 HE2 TYR 31 HE2 TYR 31 5.373 -9.956 0.611 250 HH TYR 31 HH TYR 31 4.146 -11.656 -0.515 251 H GLU 32 HN GLU 32 3.856 -4.854 4.749 252 HA GLU 32 HA GLU 32 1.818 -4.413 6.599 253 HB2 GLU 32 HB2 GLU 32 4.140 -4.845 7.248 254 HB3 GLU 32 HB1 GLU 32 4.590 -3.259 6.622 255 HG2 GLU 32 HG2 GLU 32 3.175 -2.187 8.262 256 HG3 GLU 32 HG1 GLU 32 2.645 -3.755 8.862 257 H GLU 33 HN GLU 33 3.197 -2.170 4.167 258 HA GLU 33 HA GLU 33 2.066 0.074 5.570 259 HB2 GLU 33 HB2 GLU 33 2.797 1.470 3.783 260 HB3 GLU 33 HB1 GLU 33 4.030 0.251 3.984 261 HG2 GLU 33 HG2 GLU 33 3.059 -0.977 2.055 262 HG3 GLU 33 HG1 GLU 33 1.935 0.364 1.833 263 H ILE 34 HN ILE 34 1.106 -2.159 3.165 264 HA ILE 34 HA ILE 34 -1.239 -0.889 2.338 265 HB ILE 34 HB ILE 34 -0.501 -3.827 2.401 266 HG12 ILE 34 HG12 ILE 34 -0.408 -1.823 0.137 267 HG13 ILE 34 HG11 ILE 34 0.983 -2.341 1.078 268 HG21 ILE 34 HG21 ILE 34 -2.271 -4.061 0.687 269 HG22 ILE 34 HG22 ILE 34 -2.713 -2.367 0.985 270 HG23 ILE 34 HG23 ILE 34 -2.887 -3.556 2.268 271 HD11 ILE 34 HD11 ILE 34 0.732 -4.594 0.273 272 HD12 ILE 34 HD12 ILE 34 0.806 -3.457 -1.081 273 HD13 ILE 34 HD13 ILE 34 -0.741 -4.148 -0.590 274 H ALA 35 HN ALA 35 -0.421 -3.178 4.951 275 HA ALA 35 HA ALA 35 -3.025 -3.641 5.828 276 HB1 ALA 35 HB1 ALA 35 -1.925 -4.687 7.755 277 HB2 ALA 35 HB2 ALA 35 -0.383 -4.004 7.239 278 HB3 ALA 35 HB3 ALA 35 -1.188 -5.208 6.238 279 H GLU 36 HN GLU 36 -0.489 -1.327 6.581 280 HA GLU 36 HA GLU 36 -1.406 -0.426 9.019 281 HB2 GLU 36 HB2 GLU 36 0.871 -0.126 8.270 282 HB3 GLU 36 HB1 GLU 36 0.351 0.846 6.915 283 HG2 GLU 36 HG2 GLU 36 -0.040 1.705 9.776 284 HG3 GLU 36 HG1 GLU 36 1.446 2.024 8.889 285 H ARG 37 HN ARG 37 -2.013 1.021 5.740 286 HA ARG 37 HA ARG 37 -3.668 3.014 6.748 287 HB2 ARG 37 HB2 ARG 37 -3.693 1.662 4.059 288 HB3 ARG 37 HB1 ARG 37 -4.502 3.158 4.461 289 HG2 ARG 37 HG2 ARG 37 -1.557 2.671 4.336 290 HG3 ARG 37 HG1 ARG 37 -2.525 3.594 3.199 291 HD2 ARG 37 HD2 ARG 37 -3.188 5.035 5.238 292 HD3 ARG 37 HD1 ARG 37 -1.776 4.304 6.009 293 HE ARG 37 HE ARG 37 -1.684 5.800 3.476 294 HH11 ARG 37 HH11 ARG 37 -0.133 4.973 6.571 295 HH12 ARG 37 HH12 ARG 37 1.055 6.192 6.442 296 HH21 ARG 37 HH21 ARG 37 -0.022 7.404 3.310 297 HH22 ARG 37 HH22 ARG 37 1.149 7.562 4.530 298 H MET 38 HN MET 38 -4.181 -0.313 5.912 299 HA MET 38 HA MET 38 -7.033 -0.061 5.873 300 HB2 MET 38 HB2 MET 38 -5.311 -2.526 5.849 301 HB3 MET 38 HB1 MET 38 -7.052 -2.489 5.613 302 HG2 MET 38 HG2 MET 38 -4.993 -1.226 3.844 303 HG3 MET 38 HG1 MET 38 -5.897 -2.707 3.514 304 HE1 MET 38 HE1 MET 38 -7.372 -0.236 0.916 305 HE2 MET 38 HE2 MET 38 -6.680 -1.838 1.184 306 HE3 MET 38 HE3 MET 38 -5.702 -0.397 1.464 307 H SER 39 HN SER 39 -4.818 -0.143 8.287 308 HA SER 39 HA SER 39 -6.148 -1.896 10.102 309 HB2 SER 39 HB2 SER 39 -4.101 0.267 10.655 310 HB3 SER 39 HB1 SER 39 -4.652 -0.941 11.819 311 HG SER 39 HG SER 39 -3.668 -1.787 9.333 312 H SER 40 HN SER 40 -6.700 1.306 9.053 313 HA SER 40 HA SER 40 -8.135 2.192 11.333 314 HB2 SER 40 HB2 SER 40 -8.278 3.110 8.461 315 HB3 SER 40 HB1 SER 40 -8.761 4.039 9.885 316 HG SER 40 HG SER 40 -6.375 3.394 10.451 317 H PHE 41 HN PHE 41 -8.825 0.333 8.458 318 HA PHE 41 HA PHE 41 -11.711 0.363 8.880 319 HB2 PHE 41 HB2 PHE 41 -10.026 -1.067 6.870 320 HB3 PHE 41 HB1 PHE 41 -11.766 -0.913 6.762 321 HD1 PHE 41 HD1 PHE 41 -8.933 0.070 5.370 322 HD2 PHE 41 HD2 PHE 41 -12.326 1.822 7.213 323 HE1 PHE 41 HE1 PHE 41 -8.487 2.150 4.194 324 HE2 PHE 41 HE2 PHE 41 -11.887 3.915 6.023 325 HZ PHE 41 HZ PHE 41 -9.965 4.065 4.509 326 H GLU 42 HN GLU 42 -8.935 -1.499 9.510 327 HA GLU 42 HA GLU 42 -8.488 -3.453 10.433 328 HB2 GLU 42 HB2 GLU 42 -11.420 -3.486 11.210 329 HB3 GLU 42 HB1 GLU 42 -10.206 -4.589 11.846 330 HG2 GLU 42 HG2 GLU 42 -9.031 -2.734 12.871 331 HG3 GLU 42 HG1 GLU 42 -10.198 -1.603 12.179 332 H ILE 43 HN ILE 43 -8.168 -3.854 8.183 333 HA ILE 43 HA ILE 43 -10.117 -5.646 6.928 334 HB ILE 43 HB ILE 43 -7.579 -4.461 5.800 335 HG12 ILE 43 HG12 ILE 43 -9.348 -2.817 6.285 336 HG13 ILE 43 HG11 ILE 43 -8.960 -2.923 4.572 337 HG21 ILE 43 HG21 ILE 43 -8.156 -6.577 4.734 338 HG22 ILE 43 HG22 ILE 43 -8.384 -5.218 3.628 339 HG23 ILE 43 HG23 ILE 43 -9.773 -5.954 4.412 340 HD11 ILE 43 HD11 ILE 43 -10.886 -4.359 4.258 341 HD12 ILE 43 HD12 ILE 43 -11.339 -2.757 4.869 342 HD13 ILE 43 HD13 ILE 43 -11.318 -4.164 5.958 343 H GLU 44 HN GLU 44 -9.909 -7.562 7.186 344 HA GLU 44 HA GLU 44 -7.811 -8.971 8.468 345 HB2 GLU 44 HB2 GLU 44 -10.122 -9.903 6.778 346 HB3 GLU 44 HB1 GLU 44 -9.094 -10.955 7.738 347 HG2 GLU 44 HG2 GLU 44 -10.719 -8.693 8.848 348 HG3 GLU 44 HG1 GLU 44 -11.263 -10.366 8.814 349 H SER 45 HN SER 45 -6.331 -10.377 7.680 350 HA SER 45 HA SER 45 -4.920 -9.775 5.414 351 HB2 SER 45 HB2 SER 45 -5.131 -12.354 6.932 352 HB3 SER 45 HB1 SER 45 -3.776 -11.921 5.864 353 HG SER 45 HG SER 45 -3.891 -11.452 8.379 354 H ASP 46 HN ASP 46 -7.579 -11.952 5.936 355 HA ASP 46 HA ASP 46 -7.714 -13.528 3.668 356 HB2 ASP 46 HB2 ASP 46 -10.032 -12.195 5.067 357 HB3 ASP 46 HB1 ASP 46 -10.075 -13.697 4.154 358 H GLN 47 HN GLN 47 -9.033 -10.293 4.267 359 HA GLN 47 HA GLN 47 -10.051 -10.050 1.587 360 HB2 GLN 47 HB2 GLN 47 -9.824 -7.885 3.653 361 HB3 GLN 47 HB1 GLN 47 -10.856 -7.893 2.237 362 HG2 GLN 47 HG2 GLN 47 -11.973 -9.949 3.319 363 HG3 GLN 47 HG1 GLN 47 -11.106 -9.445 4.769 364 HE21 GLN 47 HE21 GLN 47 -11.369 -6.599 3.966 365 HE22 GLN 47 HE22 GLN 47 -12.989 -6.193 4.366 366 H MET 48 HN MET 48 -7.268 -9.100 3.428 367 HA MET 48 HA MET 48 -6.257 -7.162 1.749 368 HB2 MET 48 HB2 MET 48 -4.847 -9.071 3.580 369 HB3 MET 48 HB1 MET 48 -3.934 -7.973 2.577 370 HG2 MET 48 HG2 MET 48 -6.051 -6.929 4.427 371 HG3 MET 48 HG1 MET 48 -4.430 -7.342 4.997 372 HE1 MET 48 HE1 MET 48 -6.525 -5.001 2.573 373 HE2 MET 48 HE2 MET 48 -5.293 -5.560 1.419 374 HE3 MET 48 HE3 MET 48 -5.278 -3.907 1.981 375 H ASP 49 HN ASP 49 -5.908 -10.677 1.627 376 HA ASP 49 HA ASP 49 -4.068 -10.986 -0.477 377 HB2 ASP 49 HB2 ASP 49 -4.976 -12.854 0.911 378 HB3 ASP 49 HB1 ASP 49 -6.507 -12.703 0.065 379 H GLU 50 HN GLU 50 -7.505 -10.543 -0.522 380 HA GLU 50 HA GLU 50 -8.020 -10.802 -3.233 381 HB2 GLU 50 HB2 GLU 50 -9.713 -10.716 -1.438 382 HB3 GLU 50 HB1 GLU 50 -9.368 -9.014 -1.190 383 HG2 GLU 50 HG2 GLU 50 -11.398 -9.274 -2.438 384 HG3 GLU 50 HG1 GLU 50 -10.162 -8.567 -3.476 385 H TYR 51 HN TYR 51 -7.109 -8.018 -1.284 386 HA TYR 51 HA TYR 51 -7.102 -6.164 -3.436 387 HB2 TYR 51 HB2 TYR 51 -7.400 -5.462 -1.105 388 HB3 TYR 51 HB1 TYR 51 -5.761 -5.970 -0.745 389 HD1 TYR 51 HD1 TYR 51 -4.521 -4.100 -0.260 390 HD2 TYR 51 HD2 TYR 51 -7.119 -3.941 -3.657 391 HE1 TYR 51 HE1 TYR 51 -3.644 -1.880 -0.864 392 HE2 TYR 51 HE2 TYR 51 -6.248 -1.750 -4.201 393 HH TYR 51 HH TYR 51 -3.456 -0.538 -2.878 394 H TYR 52 HN TYR 52 -4.675 -8.290 -2.032 395 HA TYR 52 HA TYR 52 -2.427 -7.073 -3.170 396 HB2 TYR 52 HB2 TYR 52 -2.805 -9.976 -2.406 397 HB3 TYR 52 HB1 TYR 52 -1.266 -9.283 -2.890 398 HD1 TYR 52 HD1 TYR 52 -2.172 -10.667 -0.233 399 HD2 TYR 52 HD2 TYR 52 -1.664 -6.597 -1.378 400 HE1 TYR 52 HE1 TYR 52 -1.798 -10.058 2.104 401 HE2 TYR 52 HE2 TYR 52 -1.286 -5.985 0.943 402 HH TYR 52 HH TYR 52 -1.752 -6.828 3.197 403 H GLU 53 HN GLU 53 -4.494 -9.681 -4.346 404 HA GLU 53 HA GLU 53 -3.096 -10.067 -6.745 405 HB2 GLU 53 HB2 GLU 53 -4.760 -11.633 -5.734 406 HB3 GLU 53 HB1 GLU 53 -6.034 -10.546 -6.272 407 HG2 GLU 53 HG2 GLU 53 -5.311 -10.832 -8.576 408 HG3 GLU 53 HG1 GLU 53 -4.044 -11.930 -8.042 409 H PHE 54 HN PHE 54 -5.676 -7.901 -5.814 410 HA PHE 54 HA PHE 54 -6.338 -6.894 -8.334 411 HB2 PHE 54 HB2 PHE 54 -7.784 -6.313 -6.530 412 HB3 PHE 54 HB1 PHE 54 -6.441 -5.723 -5.559 413 HD1 PHE 54 HD1 PHE 54 -5.755 -3.546 -5.655 414 HD2 PHE 54 HD2 PHE 54 -8.471 -4.980 -8.565 415 HE1 PHE 54 HE1 PHE 54 -6.051 -1.264 -6.467 416 HE2 PHE 54 HE2 PHE 54 -8.791 -2.694 -9.393 417 HZ PHE 54 HZ PHE 54 -7.534 -0.820 -8.315 418 H LEU 55 HN LEU 55 -4.008 -5.775 -5.929 419 HA LEU 55 HA LEU 55 -2.893 -3.704 -7.384 420 HB2 LEU 55 HB2 LEU 55 -1.694 -5.474 -5.277 421 HB3 LEU 55 HB1 LEU 55 -0.870 -4.072 -5.918 422 HG LEU 55 HG LEU 55 -3.539 -3.974 -4.527 423 HD11 LEU 55 HD11 LEU 55 -0.770 -3.339 -3.521 424 HD12 LEU 55 HD12 LEU 55 -1.798 -4.677 -2.996 425 HD13 LEU 55 HD13 LEU 55 -2.275 -3.013 -2.666 426 HD21 LEU 55 HD21 LEU 55 -3.182 -2.131 -6.115 427 HD22 LEU 55 HD22 LEU 55 -1.621 -1.793 -5.372 428 HD23 LEU 55 HD23 LEU 55 -3.108 -1.564 -4.450 429 H GLY 56 HN GLY 56 -2.165 -7.141 -7.382 430 HA2 GLY 56 HA2 GLY 56 0.123 -7.077 -8.984 431 HA3 GLY 56 HA1 GLY 56 -0.968 -8.454 -8.811 432 H GLU 57 HN GLU 57 -3.305 -7.330 -9.888 433 HA GLU 57 HA GLU 57 -2.898 -7.561 -12.597 434 HB2 GLU 57 HB2 GLU 57 -5.152 -6.334 -11.062 435 HB3 GLU 57 HB1 GLU 57 -5.214 -6.739 -12.777 436 HG2 GLU 57 HG2 GLU 57 -4.972 -8.611 -10.430 437 HG3 GLU 57 HG1 GLU 57 -6.314 -8.481 -11.563 438 H GLN 58 HN GLN 58 -3.024 -4.747 -10.545 439 HA GLN 58 HA GLN 58 -2.984 -2.812 -12.672 440 HB2 GLN 58 HB2 GLN 58 -2.249 -2.458 -9.742 441 HB3 GLN 58 HB1 GLN 58 -2.627 -1.164 -10.881 442 HG2 GLN 58 HG2 GLN 58 -4.579 -3.295 -10.059 443 HG3 GLN 58 HG1 GLN 58 -4.469 -1.697 -9.329 444 HE21 GLN 58 HE21 GLN 58 -6.633 -3.017 -10.861 445 HE22 GLN 58 HE22 GLN 58 -6.972 -1.944 -12.165 446 H GLY 59 HN GLY 59 -0.556 -4.226 -10.556 447 HA2 GLY 59 HA2 GLY 59 1.507 -4.871 -11.878 448 HA3 GLY 59 HA1 GLY 59 1.498 -3.207 -12.433 449 H VAL 60 HN VAL 60 1.130 -4.753 -9.253 450 HA VAL 60 HA VAL 60 3.394 -3.150 -8.218 451 HB VAL 60 HB VAL 60 0.832 -3.694 -6.715 452 HG11 VAL 60 HG11 VAL 60 3.133 -1.874 -6.101 453 HG12 VAL 60 HG12 VAL 60 2.784 -3.432 -5.352 454 HG13 VAL 60 HG13 VAL 60 1.671 -2.081 -5.131 455 HG21 VAL 60 HG21 VAL 60 0.296 -2.163 -8.546 456 HG22 VAL 60 HG22 VAL 60 1.649 -1.133 -8.085 457 HG23 VAL 60 HG23 VAL 60 0.269 -1.305 -7.001 458 H GLU 61 HN GLU 61 4.824 -4.485 -7.366 459 HA GLU 61 HA GLU 61 3.991 -7.133 -6.525 460 HB2 GLU 61 HB2 GLU 61 6.677 -5.792 -6.686 461 HB3 GLU 61 HB1 GLU 61 6.459 -7.426 -6.071 462 HG2 GLU 61 HG2 GLU 61 5.418 -7.980 -8.295 463 HG3 GLU 61 HG1 GLU 61 5.950 -6.399 -8.848 464 H LEU 62 HN LEU 62 3.932 -7.769 -4.365 465 HA LEU 62 HA LEU 62 4.112 -5.529 -2.539 466 HB2 LEU 62 HB2 LEU 62 2.850 -8.226 -2.085 467 HB3 LEU 62 HB1 LEU 62 2.706 -6.817 -1.061 468 HG LEU 62 HG LEU 62 0.698 -6.791 -2.089 469 HD11 LEU 62 HD11 LEU 62 1.582 -4.668 -2.437 470 HD12 LEU 62 HD12 LEU 62 0.514 -5.111 -3.773 471 HD13 LEU 62 HD13 LEU 62 2.264 -5.159 -3.990 472 HD21 LEU 62 HD21 LEU 62 0.216 -7.371 -4.428 473 HD22 LEU 62 HD22 LEU 62 0.869 -8.689 -3.477 474 HD23 LEU 62 HD23 LEU 62 1.911 -7.843 -4.640 475 H ILE 63 HN ILE 63 5.854 -5.344 -1.365 476 HA ILE 63 HA ILE 63 7.472 -7.712 -0.853 477 HB ILE 63 HB ILE 63 9.133 -6.173 0.142 478 HG12 ILE 63 HG12 ILE 63 7.489 -4.078 -1.277 479 HG13 ILE 63 HG11 ILE 63 7.741 -4.208 0.448 480 HG21 ILE 63 HG21 ILE 63 9.424 -7.213 -1.929 481 HG22 ILE 63 HG22 ILE 63 10.017 -5.529 -2.035 482 HG23 ILE 63 HG23 ILE 63 8.444 -5.970 -2.749 483 HD11 ILE 63 HD11 ILE 63 10.101 -3.745 0.175 484 HD12 ILE 63 HD12 ILE 63 9.123 -2.446 -0.527 485 HD13 ILE 63 HD13 ILE 63 9.904 -3.637 -1.569 486 H SER 64 HN SER 64 8.647 -7.776 1.101 487 HA SER 64 HA SER 64 6.770 -8.242 3.169 488 HB2 SER 64 HB2 SER 64 9.378 -8.794 2.314 489 HB3 SER 64 HB1 SER 64 9.098 -9.136 4.003 490 HG SER 64 HG SER 64 8.440 -10.408 1.687 491 H GLU 65 HN GLU 65 8.463 -5.397 2.700 492 HA GLU 65 HA GLU 65 8.766 -3.565 4.030 493 HB2 GLU 65 HB2 GLU 65 6.600 -4.306 5.092 494 HB3 GLU 65 HB1 GLU 65 7.547 -5.138 6.309 495 HG2 GLU 65 HG2 GLU 65 7.718 -2.167 5.866 496 HG3 GLU 65 HG1 GLU 65 6.516 -2.899 6.916 497 H ASN 66 HN ASN 66 9.861 -6.524 5.584 498 HA ASN 66 HA ASN 66 12.044 -5.279 6.901 499 HB2 ASN 66 HB2 ASN 66 12.898 -7.506 7.226 500 HB3 ASN 66 HB1 ASN 66 11.168 -7.528 7.517 501 HD21 ASN 66 HD21 ASN 66 9.873 -8.846 6.255 502 HD22 ASN 66 HD22 ASN 66 10.529 -9.906 5.065 503 H GLU 67 HN GLU 67 11.311 -5.803 3.792 504 HA GLU 67 HA GLU 67 14.039 -5.355 2.878 505 HB2 GLU 67 HB2 GLU 67 13.464 -6.547 0.848 506 HB3 GLU 67 HB1 GLU 67 13.128 -7.542 2.269 507 HG2 GLU 67 HG2 GLU 67 10.777 -7.040 2.120 508 HG3 GLU 67 HG1 GLU 67 11.081 -5.962 0.767 509 H GLU 68 HN GLU 68 14.051 -3.851 1.197 510 HA GLU 68 HA GLU 68 11.638 -2.445 0.519 511 HB2 GLU 68 HB2 GLU 68 12.214 -1.469 2.714 512 HB3 GLU 68 HB1 GLU 68 13.811 -1.051 2.112 513 HG2 GLU 68 HG2 GLU 68 12.225 0.845 2.217 514 HG3 GLU 68 HG1 GLU 68 12.891 0.556 0.611 515 H THR 69 HN THR 69 11.979 -0.983 -1.249 516 HA THR 69 HA THR 69 14.485 -1.675 -2.542 517 HB THR 69 HB THR 69 13.301 -1.365 -4.771 518 HG1 THR 69 HG1 THR 69 11.066 -1.452 -2.991 519 HG21 THR 69 HG21 THR 69 12.370 -3.612 -2.966 520 HG22 THR 69 HG22 THR 69 13.868 -3.590 -3.890 521 HG23 THR 69 HG23 THR 69 12.317 -3.628 -4.730 522 H GLU 70 HN GLU 70 12.691 0.815 -1.539 523 HA GLU 70 HA GLU 70 14.219 2.692 -3.105 524 HB2 GLU 70 HB2 GLU 70 13.055 4.402 -1.689 525 HB3 GLU 70 HB1 GLU 70 11.975 3.365 -2.618 526 HG2 GLU 70 HG2 GLU 70 11.600 2.001 -0.704 527 HG3 GLU 70 HG1 GLU 70 12.699 2.962 0.254 528 H ASP 71 HN ASP 71 14.468 0.951 -0.246 529 HA ASP 71 HA ASP 71 16.465 2.823 0.783 530 HB2 ASP 71 HB2 ASP 71 14.657 2.115 2.357 531 HB3 ASP 71 HB1 ASP 71 15.284 0.466 2.257 532 H LEU 72 HN LEU 72 17.661 2.168 -0.962 533 HA LEU 72 HA LEU 72 19.368 -0.148 -0.372 534 HB2 LEU 72 HB2 LEU 72 18.318 0.674 -3.092 535 HB3 LEU 72 HB1 LEU 72 19.566 -0.522 -2.833 536 HG LEU 72 HG LEU 72 16.678 -0.768 -1.984 537 HD11 LEU 72 HD11 LEU 72 18.228 -2.105 -4.187 538 HD12 LEU 72 HD12 LEU 72 16.969 -0.897 -4.394 539 HD13 LEU 72 HD13 LEU 72 16.573 -2.483 -3.732 540 HD21 LEU 72 HD21 LEU 72 17.250 -3.088 -1.450 541 HD22 LEU 72 HD22 LEU 72 18.182 -1.966 -0.466 542 HD23 LEU 72 HD23 LEU 72 18.938 -2.768 -1.841 543 H GLU 73 HN GLU 73 19.343 2.861 -0.039 544 HA GLU 73 HA GLU 73 21.359 3.717 -1.920 545 HB2 GLU 73 HB2 GLU 73 19.908 5.225 0.261 546 HB3 GLU 73 HB1 GLU 73 21.083 5.923 -0.835 547 HG2 GLU 73 HG2 GLU 73 19.647 5.391 -2.732 548 HG3 GLU 73 HG1 GLU 73 18.460 4.692 -1.632 549 H HIS 74 HN HIS 74 23.377 4.269 -1.369 550 HA HIS 74 HA HIS 74 24.377 3.041 1.047 551 HB2 HIS 74 HB2 HIS 74 25.386 2.664 -1.239 552 HB3 HIS 74 HB1 HIS 74 25.878 4.349 -1.217 553 HD1 HIS 74 HD1 HIS 74 28.234 4.659 -0.505 554 HD2 HIS 74 HD2 HIS 74 26.512 1.255 1.130 555 HE1 HIS 74 HE1 HIS 74 30.093 3.452 0.710 556 H HIS 75 HN HIS 75 23.899 4.443 2.677 557 HA HIS 75 HA HIS 75 24.488 7.262 2.391 558 HB2 HIS 75 HB2 HIS 75 23.506 5.706 4.814 559 HB3 HIS 75 HB1 HIS 75 23.694 7.448 4.752 560 HD1 HIS 75 HD1 HIS 75 21.498 8.630 4.325 561 HD2 HIS 75 HD2 HIS 75 21.581 4.836 2.642 562 HE1 HIS 75 HE1 HIS 75 19.224 8.247 3.333 563 H HIS 76 HN HIS 76 25.506 4.675 4.635 564 HA HIS 76 HA HIS 76 28.205 5.519 4.473 565 HB2 HIS 76 HB2 HIS 76 28.461 5.763 6.947 566 HB3 HIS 76 HB1 HIS 76 27.451 7.014 6.263 567 HD1 HIS 76 HD1 HIS 76 27.251 3.974 8.513 568 HD2 HIS 76 HD2 HIS 76 24.862 7.087 7.170 569 HE1 HIS 76 HE1 HIS 76 25.181 3.914 9.940 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -12.688 4.468 -5.060 2 H2 ALA 1 HT2 ALA 1 -12.356 6.046 -4.505 3 H3 ALA 1 HT3 ALA 1 -11.882 5.607 -6.025 4 HA ALA 1 HA ALA 1 -14.192 5.395 -6.715 5 HB1 ALA 1 HB1 ALA 1 -14.765 6.274 -3.879 6 HB2 ALA 1 HB2 ALA 1 -15.109 4.686 -4.560 7 HB3 ALA 1 HB3 ALA 1 -15.963 6.110 -5.161 8 H ASP 2 HN ASP 2 -13.759 6.991 -8.107 9 HA ASP 2 HA ASP 2 -13.377 8.991 -9.005 10 HB2 ASP 2 HB2 ASP 2 -15.481 9.731 -8.098 11 HB3 ASP 2 HB1 ASP 2 -14.792 9.949 -6.499 12 H LYS 3 HN LYS 3 -12.850 10.316 -5.792 13 HA LYS 3 HA LYS 3 -10.145 9.740 -5.419 14 HB2 LYS 3 HB2 LYS 3 -10.760 12.536 -6.469 15 HB3 LYS 3 HB1 LYS 3 -9.328 12.173 -5.546 16 HG2 LYS 3 HG2 LYS 3 -9.933 10.979 -8.254 17 HG3 LYS 3 HG1 LYS 3 -9.059 12.485 -8.040 18 HD2 LYS 3 HD2 LYS 3 -7.465 10.724 -8.421 19 HD3 LYS 3 HD1 LYS 3 -7.332 11.212 -6.737 20 HE2 LYS 3 HE2 LYS 3 -8.459 9.259 -6.009 21 HE3 LYS 3 HE1 LYS 3 -8.946 8.826 -7.657 22 HZ1 LYS 3 HZ1 LYS 3 -6.502 8.562 -8.078 23 HZ2 LYS 3 HZ2 LYS 3 -7.228 7.466 -7.081 24 HZ3 LYS 3 HZ3 LYS 3 -6.262 8.705 -6.398 25 H GLN 4 HN GLN 4 -9.529 10.644 -3.323 26 HA GLN 4 HA GLN 4 -11.797 11.769 -1.848 27 HB2 GLN 4 HB2 GLN 4 -10.265 10.134 -0.679 28 HB3 GLN 4 HB1 GLN 4 -8.902 11.220 -0.964 29 HG2 GLN 4 HG2 GLN 4 -9.679 11.375 1.311 30 HG3 GLN 4 HG1 GLN 4 -10.032 12.886 0.468 31 HE21 GLN 4 HE21 GLN 4 -11.353 10.046 1.875 32 HE22 GLN 4 HE22 GLN 4 -13.007 10.541 1.859 33 H THR 5 HN THR 5 -11.780 13.827 -0.940 34 HA THR 5 HA THR 5 -11.665 15.719 -2.808 35 HB THR 5 HB THR 5 -11.174 16.611 -0.023 36 HG1 THR 5 HG1 THR 5 -13.666 15.528 -0.600 37 HG21 THR 5 HG21 THR 5 -13.323 16.951 -2.066 38 HG22 THR 5 HG22 THR 5 -11.964 18.068 -1.841 39 HG23 THR 5 HG23 THR 5 -13.193 17.881 -0.572 40 H HIS 6 HN HIS 6 -9.079 15.203 -0.411 41 HA HIS 6 HA HIS 6 -7.152 16.121 -2.326 42 HB2 HIS 6 HB2 HIS 6 -7.922 18.264 -1.183 43 HB3 HIS 6 HB1 HIS 6 -7.331 17.599 0.332 44 HD1 HIS 6 HD1 HIS 6 -6.275 19.683 -2.457 45 HD2 HIS 6 HD2 HIS 6 -4.407 17.110 0.220 46 HE1 HIS 6 HE1 HIS 6 -3.836 20.265 -2.521 47 H GLU 7 HN GLU 7 -7.263 15.914 1.193 48 HA GLU 7 HA GLU 7 -6.058 13.345 1.314 49 HB2 GLU 7 HB2 GLU 7 -4.102 14.883 0.811 50 HB3 GLU 7 HB1 GLU 7 -4.465 15.727 2.308 51 HG2 GLU 7 HG2 GLU 7 -2.700 14.258 2.773 52 HG3 GLU 7 HG1 GLU 7 -4.139 13.551 3.493 53 H THR 8 HN THR 8 -7.640 12.755 2.712 54 HA THR 8 HA THR 8 -7.912 14.117 5.237 55 HB THR 8 HB THR 8 -10.289 13.249 3.540 56 HG1 THR 8 HG1 THR 8 -9.644 15.976 3.751 57 HG21 THR 8 HG21 THR 8 -10.677 13.590 5.949 58 HG22 THR 8 HG22 THR 8 -11.527 14.805 4.989 59 HG23 THR 8 HG23 THR 8 -10.029 15.225 5.817 60 H GLU 9 HN GLU 9 -9.332 12.364 6.533 61 HA GLU 9 HA GLU 9 -8.265 9.824 6.056 62 HB2 GLU 9 HB2 GLU 9 -9.810 8.912 7.742 63 HB3 GLU 9 HB1 GLU 9 -9.101 10.407 8.303 64 HG2 GLU 9 HG2 GLU 9 -11.276 10.617 8.986 65 HG3 GLU 9 HG1 GLU 9 -11.265 11.453 7.428 66 H LEU 10 HN LEU 10 -9.160 7.962 5.083 67 HA LEU 10 HA LEU 10 -11.060 8.817 3.023 68 HB2 LEU 10 HB2 LEU 10 -9.059 6.751 2.266 69 HB3 LEU 10 HB1 LEU 10 -9.839 8.007 1.348 70 HG LEU 10 HG LEU 10 -8.280 9.658 2.465 71 HD11 LEU 10 HD11 LEU 10 -7.540 8.260 4.296 72 HD12 LEU 10 HD12 LEU 10 -6.153 8.716 3.290 73 HD13 LEU 10 HD13 LEU 10 -6.862 7.101 3.165 74 HD21 LEU 10 HD21 LEU 10 -8.063 8.946 0.149 75 HD22 LEU 10 HD22 LEU 10 -7.158 7.519 0.681 76 HD23 LEU 10 HD23 LEU 10 -6.475 9.124 0.909 77 H THR 11 HN THR 11 -11.695 6.675 1.727 78 HA THR 11 HA THR 11 -12.788 4.978 3.807 79 HB THR 11 HB THR 11 -14.467 4.334 2.153 80 HG1 THR 11 HG1 THR 11 -14.315 5.256 0.045 81 HG21 THR 11 HG21 THR 11 -13.962 7.300 1.976 82 HG22 THR 11 HG22 THR 11 -14.835 6.503 3.291 83 HG23 THR 11 HG23 THR 11 -15.500 6.500 1.650 84 H PHE 12 HN PHE 12 -13.177 2.663 2.775 85 HA PHE 12 HA PHE 12 -10.610 1.574 2.607 86 HB2 PHE 12 HB2 PHE 12 -12.456 0.266 3.493 87 HB3 PHE 12 HB1 PHE 12 -13.298 0.341 1.954 88 HD1 PHE 12 HD1 PHE 12 -13.299 -1.650 0.812 89 HD2 PHE 12 HD2 PHE 12 -9.871 -0.583 3.088 90 HE1 PHE 12 HE1 PHE 12 -12.181 -3.726 0.110 91 HE2 PHE 12 HE2 PHE 12 -8.763 -2.630 2.403 92 HZ PHE 12 HZ PHE 12 -9.884 -4.211 0.919 93 H ASP 13 HN ASP 13 -13.041 2.239 0.294 94 HA ASP 13 HA ASP 13 -11.812 1.316 -2.049 95 HB2 ASP 13 HB2 ASP 13 -14.197 2.278 -1.603 96 HB3 ASP 13 HB1 ASP 13 -13.464 3.789 -2.086 97 H GLN 14 HN GLN 14 -11.571 4.319 -0.359 98 HA GLN 14 HA GLN 14 -10.180 5.593 -2.492 99 HB2 GLN 14 HB2 GLN 14 -10.474 6.559 0.345 100 HB3 GLN 14 HB1 GLN 14 -9.821 7.512 -1.000 101 HG2 GLN 14 HG2 GLN 14 -12.617 6.496 -0.750 102 HG3 GLN 14 HG1 GLN 14 -12.074 8.135 -0.425 103 HE21 GLN 14 HE21 GLN 14 -13.299 9.084 -1.970 104 HE22 GLN 14 HE22 GLN 14 -13.009 8.803 -3.642 105 H VAL 15 HN VAL 15 -9.351 3.982 0.454 106 HA VAL 15 HA VAL 15 -6.630 4.802 0.505 107 HB VAL 15 HB VAL 15 -8.081 2.596 2.012 108 HG11 VAL 15 HG11 VAL 15 -5.763 1.883 1.597 109 HG12 VAL 15 HG12 VAL 15 -5.911 2.363 3.301 110 HG13 VAL 15 HG13 VAL 15 -5.184 3.455 2.101 111 HG21 VAL 15 HG21 VAL 15 -6.769 5.157 2.884 112 HG22 VAL 15 HG22 VAL 15 -7.550 3.994 3.950 113 HG23 VAL 15 HG23 VAL 15 -8.511 4.874 2.757 114 H LYS 16 HN LYS 16 -8.433 1.980 -0.697 115 HA LYS 16 HA LYS 16 -6.343 0.574 -1.585 116 HB2 LYS 16 HB2 LYS 16 -9.149 0.972 -2.402 117 HB3 LYS 16 HB1 LYS 16 -8.130 0.020 -3.441 118 HG2 LYS 16 HG2 LYS 16 -7.616 -1.357 -1.302 119 HG3 LYS 16 HG1 LYS 16 -8.988 -0.502 -0.597 120 HD2 LYS 16 HD2 LYS 16 -9.072 -2.189 -3.098 121 HD3 LYS 16 HD1 LYS 16 -9.608 -2.714 -1.507 122 HE2 LYS 16 HE2 LYS 16 -11.355 -1.052 -1.502 123 HE3 LYS 16 HE1 LYS 16 -10.746 -0.368 -3.006 124 HZ1 LYS 16 HZ1 LYS 16 -12.661 -1.804 -3.394 125 HZ2 LYS 16 HZ2 LYS 16 -11.869 -3.091 -2.674 126 HZ3 LYS 16 HZ3 LYS 16 -11.279 -2.443 -4.113 127 H GLU 17 HN GLU 17 -7.975 3.346 -3.095 128 HA GLU 17 HA GLU 17 -6.365 3.245 -5.377 129 HB2 GLU 17 HB2 GLU 17 -7.954 5.495 -4.212 130 HB3 GLU 17 HB1 GLU 17 -6.939 5.714 -5.627 131 HG2 GLU 17 HG2 GLU 17 -8.238 3.733 -6.613 132 HG3 GLU 17 HG1 GLU 17 -9.399 4.051 -5.318 133 H GLN 18 HN GLN 18 -5.699 4.672 -2.189 134 HA GLN 18 HA GLN 18 -3.652 6.293 -3.216 135 HB2 GLN 18 HB2 GLN 18 -3.211 7.015 -0.974 136 HB3 GLN 18 HB1 GLN 18 -4.919 6.597 -1.057 137 HG2 GLN 18 HG2 GLN 18 -4.613 4.607 0.099 138 HG3 GLN 18 HG1 GLN 18 -2.861 4.766 0.031 139 HE21 GLN 18 HE21 GLN 18 -4.882 7.515 0.622 140 HE22 GLN 18 HE22 GLN 18 -4.412 7.741 2.260 141 H LEU 19 HN LEU 19 -3.739 3.305 -1.652 142 HA LEU 19 HA LEU 19 -1.012 2.738 -1.650 143 HB2 LEU 19 HB2 LEU 19 -3.508 1.216 -1.479 144 HB3 LEU 19 HB1 LEU 19 -1.982 0.398 -1.538 145 HG LEU 19 HG LEU 19 -2.916 2.386 0.573 146 HD11 LEU 19 HD11 LEU 19 -2.975 0.497 2.074 147 HD12 LEU 19 HD12 LEU 19 -2.468 -0.555 0.747 148 HD13 LEU 19 HD13 LEU 19 -4.033 0.257 0.675 149 HD21 LEU 19 HD21 LEU 19 -0.349 0.799 0.440 150 HD22 LEU 19 HD22 LEU 19 -0.896 1.737 1.823 151 HD23 LEU 19 HD23 LEU 19 -0.495 2.556 0.315 152 H THR 20 HN THR 20 -3.612 2.042 -3.919 153 HA THR 20 HA THR 20 -2.212 0.481 -5.732 154 HB THR 20 HB THR 20 -4.490 2.413 -6.043 155 HG1 THR 20 HG1 THR 20 -5.188 0.684 -5.109 156 HG21 THR 20 HG21 THR 20 -3.394 2.454 -8.167 157 HG22 THR 20 HG22 THR 20 -4.890 1.526 -8.319 158 HG23 THR 20 HG23 THR 20 -3.328 0.688 -8.251 159 H GLU 21 HN GLU 21 -2.638 4.022 -5.618 160 HA GLU 21 HA GLU 21 -1.329 4.629 -7.995 161 HB2 GLU 21 HB2 GLU 21 -2.880 5.978 -6.752 162 HB3 GLU 21 HB1 GLU 21 -1.727 6.196 -5.445 163 HG2 GLU 21 HG2 GLU 21 -1.715 8.193 -6.748 164 HG3 GLU 21 HG1 GLU 21 -0.223 7.326 -7.116 165 H SER 22 HN SER 22 -0.311 4.492 -4.724 166 HA SER 22 HA SER 22 2.344 5.429 -5.060 167 HB2 SER 22 HB2 SER 22 1.223 3.693 -2.854 168 HB3 SER 22 HB1 SER 22 2.747 4.582 -2.785 169 HG SER 22 HG SER 22 0.101 5.557 -2.815 170 H GLY 23 HN GLY 23 1.008 2.192 -4.798 171 HA2 GLY 23 HA2 GLY 23 3.416 0.754 -5.109 172 HA3 GLY 23 HA1 GLY 23 1.799 0.141 -5.428 173 H LYS 24 HN LYS 24 1.063 1.981 -7.404 174 HA LYS 24 HA LYS 24 2.089 0.789 -9.711 175 HB2 LYS 24 HB2 LYS 24 0.556 3.325 -9.291 176 HB3 LYS 24 HB1 LYS 24 0.916 2.677 -10.878 177 HG2 LYS 24 HG2 LYS 24 -0.445 1.073 -8.787 178 HG3 LYS 24 HG1 LYS 24 -1.400 2.163 -9.747 179 HD2 LYS 24 HD2 LYS 24 0.224 -0.284 -10.591 180 HD3 LYS 24 HD1 LYS 24 -1.525 -0.081 -10.664 181 HE2 LYS 24 HE2 LYS 24 -1.209 1.690 -12.385 182 HE3 LYS 24 HE1 LYS 24 0.526 1.351 -12.298 183 HZ1 LYS 24 HZ1 LYS 24 0.081 -0.902 -13.121 184 HZ2 LYS 24 HZ2 LYS 24 -0.428 0.277 -14.178 185 HZ3 LYS 24 HZ3 LYS 24 -1.562 -0.519 -13.264 186 H LYS 25 HN LYS 25 2.965 3.789 -8.057 187 HA LYS 25 HA LYS 25 4.613 4.771 -10.133 188 HB2 LYS 25 HB2 LYS 25 4.445 5.401 -7.193 189 HB3 LYS 25 HB1 LYS 25 5.470 6.275 -8.321 190 HG2 LYS 25 HG2 LYS 25 3.524 7.043 -9.540 191 HG3 LYS 25 HG1 LYS 25 2.471 6.068 -8.516 192 HD2 LYS 25 HD2 LYS 25 2.423 8.404 -7.813 193 HD3 LYS 25 HD1 LYS 25 3.148 7.401 -6.563 194 HE2 LYS 25 HE2 LYS 25 4.372 9.496 -6.848 195 HE3 LYS 25 HE1 LYS 25 5.377 8.118 -7.270 196 HZ1 LYS 25 HZ1 LYS 25 4.924 8.573 -9.615 197 HZ2 LYS 25 HZ2 LYS 25 5.629 9.889 -8.862 198 HZ3 LYS 25 HZ3 LYS 25 3.973 9.909 -9.190 199 H ARG 26 HN ARG 26 5.085 2.908 -7.270 200 HA ARG 26 HA ARG 26 7.954 2.979 -7.470 201 HB2 ARG 26 HB2 ARG 26 6.231 1.241 -5.752 202 HB3 ARG 26 HB1 ARG 26 7.963 1.470 -5.594 203 HG2 ARG 26 HG2 ARG 26 7.589 3.816 -5.050 204 HG3 ARG 26 HG1 ARG 26 5.848 3.555 -5.199 205 HD2 ARG 26 HD2 ARG 26 5.990 1.792 -3.524 206 HD3 ARG 26 HD1 ARG 26 7.699 2.166 -3.298 207 HE ARG 26 HE ARG 26 6.655 4.506 -2.821 208 HH11 ARG 26 HH11 ARG 26 5.609 1.315 -1.792 209 HH12 ARG 26 HH12 ARG 26 4.891 1.846 -0.340 210 HH21 ARG 26 HH21 ARG 26 5.679 5.262 -0.788 211 HH22 ARG 26 HH22 ARG 26 4.936 4.120 0.229 212 H GLY 27 HN GLY 27 5.457 0.547 -7.772 213 HA2 GLY 27 HA2 GLY 27 5.482 -1.185 -9.343 214 HA3 GLY 27 HA1 GLY 27 7.251 -1.253 -9.223 215 H VAL 28 HN VAL 28 6.125 -0.593 -6.223 216 HA VAL 28 HA VAL 28 5.623 -3.299 -5.384 217 HB VAL 28 HB VAL 28 8.053 -3.093 -5.849 218 HG11 VAL 28 HG11 VAL 28 9.496 -1.935 -4.242 219 HG12 VAL 28 HG12 VAL 28 8.055 -1.235 -3.502 220 HG13 VAL 28 HG13 VAL 28 8.469 -0.832 -5.170 221 HG21 VAL 28 HG21 VAL 28 7.225 -4.758 -4.453 222 HG22 VAL 28 HG22 VAL 28 7.199 -3.655 -3.073 223 HG23 VAL 28 HG23 VAL 28 8.755 -4.169 -3.777 224 H LEU 29 HN LEU 29 5.017 -3.448 -3.315 225 HA LEU 29 HA LEU 29 4.937 -1.084 -1.661 226 HB2 LEU 29 HB2 LEU 29 2.635 -2.897 -2.329 227 HB3 LEU 29 HB1 LEU 29 2.655 -1.936 -0.874 228 HG LEU 29 HG LEU 29 2.745 -0.788 -3.665 229 HD11 LEU 29 HD11 LEU 29 0.439 -1.093 -1.746 230 HD12 LEU 29 HD12 LEU 29 0.664 -2.010 -3.235 231 HD13 LEU 29 HD13 LEU 29 0.388 -0.268 -3.305 232 HD21 LEU 29 HD21 LEU 29 2.159 0.445 -0.989 233 HD22 LEU 29 HD22 LEU 29 2.104 1.269 -2.542 234 HD23 LEU 29 HD23 LEU 29 3.646 0.675 -1.913 235 H THR 30 HN THR 30 5.237 -1.676 0.510 236 HA THR 30 HA THR 30 5.868 -4.421 1.104 237 HB THR 30 HB THR 30 6.230 -3.578 3.440 238 HG1 THR 30 HG1 THR 30 5.605 -1.051 2.276 239 HG21 THR 30 HG21 THR 30 7.709 -2.209 1.206 240 HG22 THR 30 HG22 THR 30 8.132 -3.700 2.089 241 HG23 THR 30 HG23 THR 30 8.203 -2.145 2.901 242 H TYR 31 HN TYR 31 4.716 -5.699 2.629 243 HA TYR 31 HA TYR 31 1.904 -5.488 2.520 244 HB2 TYR 31 HB2 TYR 31 3.599 -7.126 4.408 245 HB3 TYR 31 HB1 TYR 31 1.852 -7.233 4.321 246 HD1 TYR 31 HD1 TYR 31 0.987 -7.621 1.781 247 HD2 TYR 31 HD2 TYR 31 4.770 -8.738 3.330 248 HE1 TYR 31 HE1 TYR 31 1.170 -9.368 0.059 249 HE2 TYR 31 HE2 TYR 31 4.977 -10.464 1.606 250 HH TYR 31 HH TYR 31 2.979 -10.657 -1.089 251 H GLU 32 HN GLU 32 4.198 -4.338 4.898 252 HA GLU 32 HA GLU 32 2.163 -4.000 6.854 253 HB2 GLU 32 HB2 GLU 32 4.531 -4.396 7.509 254 HB3 GLU 32 HB1 GLU 32 4.917 -2.766 6.960 255 HG2 GLU 32 HG2 GLU 32 3.451 -1.801 8.596 256 HG3 GLU 32 HG1 GLU 32 2.864 -3.389 9.059 257 H GLU 33 HN GLU 33 3.401 -1.907 4.345 258 HA GLU 33 HA GLU 33 2.284 0.433 5.590 259 HB2 GLU 33 HB2 GLU 33 2.828 1.607 3.543 260 HB3 GLU 33 HB1 GLU 33 4.183 0.583 3.988 261 HG2 GLU 33 HG2 GLU 33 3.393 -1.083 2.343 262 HG3 GLU 33 HG1 GLU 33 2.144 0.063 1.857 263 H ILE 34 HN ILE 34 1.305 -2.019 3.400 264 HA ILE 34 HA ILE 34 -1.106 -0.835 2.561 265 HB ILE 34 HB ILE 34 -0.284 -3.750 2.676 266 HG12 ILE 34 HG12 ILE 34 -0.371 -1.802 0.363 267 HG13 ILE 34 HG11 ILE 34 1.086 -2.293 1.217 268 HG21 ILE 34 HG21 ILE 34 -2.671 -3.626 2.660 269 HG22 ILE 34 HG22 ILE 34 -2.149 -4.062 1.018 270 HG23 ILE 34 HG23 ILE 34 -2.649 -2.412 1.390 271 HD11 ILE 34 HD11 ILE 34 -0.726 -4.100 -0.353 272 HD12 ILE 34 HD12 ILE 34 0.762 -4.578 0.473 273 HD13 ILE 34 HD13 ILE 34 0.823 -3.450 -0.885 274 H ALA 35 HN ALA 35 -0.138 -2.907 5.281 275 HA ALA 35 HA ALA 35 -2.691 -3.483 6.182 276 HB1 ALA 35 HB1 ALA 35 -0.041 -3.551 7.626 277 HB2 ALA 35 HB2 ALA 35 -0.764 -4.874 6.719 278 HB3 ALA 35 HB3 ALA 35 -1.533 -4.297 8.200 279 H GLU 36 HN GLU 36 -0.307 -1.000 6.695 280 HA GLU 36 HA GLU 36 -1.018 0.154 9.082 281 HB2 GLU 36 HB2 GLU 36 1.046 0.575 7.882 282 HB3 GLU 36 HB1 GLU 36 0.155 1.348 6.584 283 HG2 GLU 36 HG2 GLU 36 -0.603 3.045 8.275 284 HG3 GLU 36 HG1 GLU 36 0.572 2.334 9.385 285 H ARG 37 HN ARG 37 -1.959 1.133 5.736 286 HA ARG 37 HA ARG 37 -3.627 3.183 6.629 287 HB2 ARG 37 HB2 ARG 37 -3.541 1.752 3.978 288 HB3 ARG 37 HB1 ARG 37 -4.213 3.349 4.295 289 HG2 ARG 37 HG2 ARG 37 -1.321 2.599 4.623 290 HG3 ARG 37 HG1 ARG 37 -2.003 3.444 3.234 291 HD2 ARG 37 HD2 ARG 37 -2.571 5.334 4.540 292 HD3 ARG 37 HD1 ARG 37 -2.250 4.489 6.050 293 HE ARG 37 HE ARG 37 0.054 4.593 5.615 294 HH11 ARG 37 HH11 ARG 37 -1.827 6.416 3.207 295 HH12 ARG 37 HH12 ARG 37 -0.583 7.536 2.904 296 HH21 ARG 37 HH21 ARG 37 1.762 6.082 5.136 297 HH22 ARG 37 HH22 ARG 37 1.489 7.350 4.020 298 H MET 38 HN MET 38 -4.106 -0.209 6.042 299 HA MET 38 HA MET 38 -6.973 0.069 6.004 300 HB2 MET 38 HB2 MET 38 -5.365 -2.499 6.169 301 HB3 MET 38 HB1 MET 38 -7.071 -2.346 5.853 302 HG2 MET 38 HG2 MET 38 -4.888 -1.315 4.090 303 HG3 MET 38 HG1 MET 38 -5.827 -2.785 3.816 304 HE1 MET 38 HE1 MET 38 -6.531 -2.025 1.378 305 HE2 MET 38 HE2 MET 38 -5.459 -0.661 1.640 306 HE3 MET 38 HE3 MET 38 -7.086 -0.388 1.008 307 H SER 39 HN SER 39 -4.762 0.263 8.363 308 HA SER 39 HA SER 39 -5.990 -1.302 10.391 309 HB2 SER 39 HB2 SER 39 -3.606 -0.671 10.507 310 HB3 SER 39 HB1 SER 39 -4.059 1.023 10.647 311 HG SER 39 HG SER 39 -5.324 0.208 12.546 312 H SER 40 HN SER 40 -6.674 1.751 8.993 313 HA SER 40 HA SER 40 -8.172 2.766 11.174 314 HB2 SER 40 HB2 SER 40 -9.130 4.321 9.411 315 HB3 SER 40 HB1 SER 40 -7.375 4.349 9.524 316 HG SER 40 HG SER 40 -7.233 3.216 7.605 317 H PHE 41 HN PHE 41 -8.703 0.558 8.632 318 HA PHE 41 HA PHE 41 -11.578 0.281 9.181 319 HB2 PHE 41 HB2 PHE 41 -9.899 -1.068 7.075 320 HB3 PHE 41 HB1 PHE 41 -11.636 -0.904 7.030 321 HD1 PHE 41 HD1 PHE 41 -12.207 1.832 7.405 322 HD2 PHE 41 HD2 PHE 41 -8.865 0.066 5.485 323 HE1 PHE 41 HE1 PHE 41 -11.862 3.893 6.119 324 HE2 PHE 41 HE2 PHE 41 -8.507 2.111 4.204 325 HZ PHE 41 HZ PHE 41 -10.003 4.031 4.524 326 H GLU 42 HN GLU 42 -12.035 -2.273 8.728 327 HA GLU 42 HA GLU 42 -10.030 -3.857 10.126 328 HB2 GLU 42 HB2 GLU 42 -13.032 -4.198 10.320 329 HB3 GLU 42 HB1 GLU 42 -11.847 -5.302 10.997 330 HG2 GLU 42 HG2 GLU 42 -10.993 -3.382 12.357 331 HG3 GLU 42 HG1 GLU 42 -12.405 -2.476 11.812 332 H ILE 43 HN ILE 43 -9.095 -4.574 8.361 333 HA ILE 43 HA ILE 43 -10.780 -5.911 6.389 334 HB ILE 43 HB ILE 43 -7.952 -4.906 6.104 335 HG12 ILE 43 HG12 ILE 43 -9.534 -3.087 6.434 336 HG13 ILE 43 HG11 ILE 43 -8.875 -3.081 4.805 337 HG21 ILE 43 HG21 ILE 43 -8.275 -5.254 3.720 338 HG22 ILE 43 HG22 ILE 43 -9.880 -5.901 4.037 339 HG23 ILE 43 HG23 ILE 43 -8.456 -6.761 4.624 340 HD11 ILE 43 HD11 ILE 43 -11.589 -4.070 5.662 341 HD12 ILE 43 HD12 ILE 43 -10.895 -4.209 4.041 342 HD13 ILE 43 HD13 ILE 43 -11.221 -2.606 4.719 343 H GLU 44 HN GLU 44 -10.712 -7.920 6.416 344 HA GLU 44 HA GLU 44 -9.049 -9.425 8.177 345 HB2 GLU 44 HB2 GLU 44 -10.939 -10.410 6.058 346 HB3 GLU 44 HB1 GLU 44 -10.362 -11.302 7.457 347 HG2 GLU 44 HG2 GLU 44 -12.154 -8.901 7.454 348 HG3 GLU 44 HG1 GLU 44 -12.620 -10.547 7.838 349 H SER 45 HN SER 45 -7.909 -11.348 7.420 350 HA SER 45 HA SER 45 -5.902 -10.724 5.571 351 HB2 SER 45 HB2 SER 45 -5.666 -12.269 7.531 352 HB3 SER 45 HB1 SER 45 -6.660 -13.446 6.682 353 HG SER 45 HG SER 45 -4.778 -14.089 6.055 354 H ASP 46 HN ASP 46 -8.950 -12.417 5.280 355 HA ASP 46 HA ASP 46 -8.733 -13.701 2.793 356 HB2 ASP 46 HB2 ASP 46 -11.114 -12.257 3.989 357 HB3 ASP 46 HB1 ASP 46 -11.183 -13.394 2.662 358 H GLN 47 HN GLN 47 -9.968 -10.554 3.682 359 HA GLN 47 HA GLN 47 -10.535 -9.545 1.119 360 HB2 GLN 47 HB2 GLN 47 -9.893 -8.025 3.618 361 HB3 GLN 47 HB1 GLN 47 -10.783 -7.425 2.224 362 HG2 GLN 47 HG2 GLN 47 -12.532 -9.088 2.680 363 HG3 GLN 47 HG1 GLN 47 -11.633 -9.598 4.102 364 HE21 GLN 47 HE21 GLN 47 -13.495 -7.040 2.697 365 HE22 GLN 47 HE22 GLN 47 -13.765 -6.199 4.156 366 H MET 48 HN MET 48 -7.765 -9.268 3.263 367 HA MET 48 HA MET 48 -6.335 -7.382 1.875 368 HB2 MET 48 HB2 MET 48 -5.407 -9.574 3.701 369 HB3 MET 48 HB1 MET 48 -4.248 -8.538 2.899 370 HG2 MET 48 HG2 MET 48 -6.461 -7.343 4.521 371 HG3 MET 48 HG1 MET 48 -5.024 -7.988 5.302 372 HE1 MET 48 HE1 MET 48 -6.416 -5.266 2.769 373 HE2 MET 48 HE2 MET 48 -5.096 -5.899 1.758 374 HE3 MET 48 HE3 MET 48 -4.982 -4.299 2.455 375 H ASP 49 HN ASP 49 -6.253 -10.930 1.499 376 HA ASP 49 HA ASP 49 -4.145 -11.065 -0.398 377 HB2 ASP 49 HB2 ASP 49 -5.146 -13.025 0.830 378 HB3 ASP 49 HB1 ASP 49 -6.516 -12.928 -0.267 379 H GLU 50 HN GLU 50 -7.579 -10.725 -0.755 380 HA GLU 50 HA GLU 50 -7.730 -10.856 -3.531 381 HB2 GLU 50 HB2 GLU 50 -9.683 -10.985 -2.095 382 HB3 GLU 50 HB1 GLU 50 -9.438 -9.328 -1.572 383 HG2 GLU 50 HG2 GLU 50 -9.914 -8.524 -3.797 384 HG3 GLU 50 HG1 GLU 50 -10.080 -10.181 -4.379 385 H TYR 51 HN TYR 51 -7.139 -8.109 -1.373 386 HA TYR 51 HA TYR 51 -6.987 -6.211 -3.477 387 HB2 TYR 51 HB2 TYR 51 -7.421 -5.502 -1.162 388 HB3 TYR 51 HB1 TYR 51 -5.823 -6.055 -0.687 389 HD1 TYR 51 HD1 TYR 51 -6.875 -4.040 -3.706 390 HD2 TYR 51 HD2 TYR 51 -4.639 -4.167 -0.059 391 HE1 TYR 51 HE1 TYR 51 -5.919 -1.857 -4.206 392 HE2 TYR 51 HE2 TYR 51 -3.674 -1.963 -0.604 393 HH TYR 51 HH TYR 51 -4.863 -0.013 -3.131 394 H TYR 52 HN TYR 52 -4.633 -8.298 -1.880 395 HA TYR 52 HA TYR 52 -2.356 -7.135 -3.011 396 HB2 TYR 52 HB2 TYR 52 -2.784 -9.992 -2.106 397 HB3 TYR 52 HB1 TYR 52 -1.222 -9.324 -2.552 398 HD1 TYR 52 HD1 TYR 52 -1.609 -6.585 -1.209 399 HD2 TYR 52 HD2 TYR 52 -2.317 -10.556 0.151 400 HE1 TYR 52 HE1 TYR 52 -1.279 -5.854 1.079 401 HE2 TYR 52 HE2 TYR 52 -2.004 -9.814 2.471 402 HH TYR 52 HH TYR 52 -1.971 -6.609 3.412 403 H GLU 53 HN GLU 53 -4.462 -9.752 -4.066 404 HA GLU 53 HA GLU 53 -3.202 -10.522 -6.410 405 HB2 GLU 53 HB2 GLU 53 -5.170 -11.556 -5.133 406 HB3 GLU 53 HB1 GLU 53 -6.181 -10.387 -5.963 407 HG2 GLU 53 HG2 GLU 53 -6.330 -12.432 -7.144 408 HG3 GLU 53 HG1 GLU 53 -5.347 -11.334 -8.117 409 H PHE 54 HN PHE 54 -5.687 -8.106 -5.773 410 HA PHE 54 HA PHE 54 -6.143 -7.090 -8.318 411 HB2 PHE 54 HB2 PHE 54 -7.614 -6.428 -6.572 412 HB3 PHE 54 HB1 PHE 54 -6.285 -5.866 -5.572 413 HD1 PHE 54 HD1 PHE 54 -8.289 -5.096 -8.566 414 HD2 PHE 54 HD2 PHE 54 -5.477 -3.723 -5.727 415 HE1 PHE 54 HE1 PHE 54 -8.576 -2.786 -9.404 416 HE2 PHE 54 HE2 PHE 54 -5.742 -1.420 -6.536 417 HZ PHE 54 HZ PHE 54 -7.258 -0.946 -8.357 418 H LEU 55 HN LEU 55 -3.888 -5.937 -5.853 419 HA LEU 55 HA LEU 55 -2.686 -3.903 -7.299 420 HB2 LEU 55 HB2 LEU 55 -1.643 -5.625 -5.077 421 HB3 LEU 55 HB1 LEU 55 -0.730 -4.279 -5.717 422 HG LEU 55 HG LEU 55 -3.468 -4.035 -4.484 423 HD11 LEU 55 HD11 LEU 55 -2.285 -3.076 -2.580 424 HD12 LEU 55 HD12 LEU 55 -0.744 -3.450 -3.349 425 HD13 LEU 55 HD13 LEU 55 -1.816 -4.753 -2.846 426 HD21 LEU 55 HD21 LEU 55 -2.958 -2.273 -6.107 427 HD22 LEU 55 HD22 LEU 55 -1.419 -1.976 -5.307 428 HD23 LEU 55 HD23 LEU 55 -2.928 -1.641 -4.462 429 H GLY 56 HN GLY 56 -1.783 -7.275 -6.993 430 HA2 GLY 56 HA2 GLY 56 0.542 -7.283 -8.525 431 HA3 GLY 56 HA1 GLY 56 -0.537 -8.663 -8.330 432 H GLU 57 HN GLU 57 -2.844 -7.649 -9.581 433 HA GLU 57 HA GLU 57 -2.261 -8.069 -12.253 434 HB2 GLU 57 HB2 GLU 57 -4.644 -6.967 -10.869 435 HB3 GLU 57 HB1 GLU 57 -4.585 -7.226 -12.604 436 HG2 GLU 57 HG2 GLU 57 -4.070 -9.629 -12.119 437 HG3 GLU 57 HG1 GLU 57 -4.395 -9.272 -10.420 438 H GLN 58 HN GLN 58 -2.599 -5.114 -10.438 439 HA GLN 58 HA GLN 58 -2.675 -3.494 -12.793 440 HB2 GLN 58 HB2 GLN 58 -2.104 -2.624 -9.952 441 HB3 GLN 58 HB1 GLN 58 -2.602 -1.581 -11.274 442 HG2 GLN 58 HG2 GLN 58 -4.232 -3.719 -9.916 443 HG3 GLN 58 HG1 GLN 58 -4.499 -1.980 -9.877 444 HE21 GLN 58 HE21 GLN 58 -6.214 -4.220 -10.726 445 HE22 GLN 58 HE22 GLN 58 -6.719 -3.853 -12.324 446 H GLY 59 HN GLY 59 -0.253 -4.211 -10.358 447 HA2 GLY 59 HA2 GLY 59 1.855 -4.898 -11.716 448 HA3 GLY 59 HA1 GLY 59 1.787 -3.211 -12.215 449 H VAL 60 HN VAL 60 1.267 -4.844 -9.111 450 HA VAL 60 HA VAL 60 3.477 -3.265 -7.996 451 HB VAL 60 HB VAL 60 0.894 -3.801 -6.547 452 HG11 VAL 60 HG11 VAL 60 1.708 -2.124 -5.000 453 HG12 VAL 60 HG12 VAL 60 3.184 -1.976 -5.956 454 HG13 VAL 60 HG13 VAL 60 2.802 -3.501 -5.157 455 HG21 VAL 60 HG21 VAL 60 1.670 -1.227 -7.943 456 HG22 VAL 60 HG22 VAL 60 0.284 -1.414 -6.872 457 HG23 VAL 60 HG23 VAL 60 0.339 -2.282 -8.402 458 H GLU 61 HN GLU 61 4.859 -4.622 -7.139 459 HA GLU 61 HA GLU 61 4.032 -7.302 -6.401 460 HB2 GLU 61 HB2 GLU 61 6.694 -5.908 -6.342 461 HB3 GLU 61 HB1 GLU 61 6.451 -7.621 -5.988 462 HG2 GLU 61 HG2 GLU 61 5.574 -7.934 -8.191 463 HG3 GLU 61 HG1 GLU 61 5.850 -6.237 -8.579 464 H LEU 62 HN LEU 62 3.791 -7.947 -4.313 465 HA LEU 62 HA LEU 62 4.078 -5.823 -2.364 466 HB2 LEU 62 HB2 LEU 62 2.658 -8.454 -2.045 467 HB3 LEU 62 HB1 LEU 62 2.616 -7.099 -0.940 468 HG LEU 62 HG LEU 62 0.621 -6.893 -1.932 469 HD11 LEU 62 HD11 LEU 62 0.549 -5.098 -3.529 470 HD12 LEU 62 HD12 LEU 62 2.297 -5.246 -3.734 471 HD13 LEU 62 HD13 LEU 62 1.628 -4.807 -2.161 472 HD21 LEU 62 HD21 LEU 62 0.048 -7.310 -4.251 473 HD22 LEU 62 HD22 LEU 62 0.722 -8.712 -3.435 474 HD23 LEU 62 HD23 LEU 62 1.724 -7.788 -4.579 475 H ILE 63 HN ILE 63 5.966 -5.768 -1.462 476 HA ILE 63 HA ILE 63 7.370 -8.246 -0.777 477 HB ILE 63 HB ILE 63 9.265 -6.797 -0.108 478 HG12 ILE 63 HG12 ILE 63 7.539 -4.530 -1.109 479 HG13 ILE 63 HG11 ILE 63 7.982 -4.837 0.563 480 HG21 ILE 63 HG21 ILE 63 9.927 -6.110 -2.271 481 HG22 ILE 63 HG22 ILE 63 8.236 -6.071 -2.786 482 HG23 ILE 63 HG23 ILE 63 9.016 -7.637 -2.424 483 HD11 ILE 63 HD11 ILE 63 9.320 -3.041 -0.432 484 HD12 ILE 63 HD12 ILE 63 9.906 -4.161 -1.663 485 HD13 ILE 63 HD13 ILE 63 10.325 -4.412 0.033 486 H SER 64 HN SER 64 8.563 -8.025 1.434 487 HA SER 64 HA SER 64 6.536 -8.041 3.408 488 HB2 SER 64 HB2 SER 64 8.478 -9.539 3.392 489 HB3 SER 64 HB1 SER 64 9.531 -8.182 3.664 490 HG SER 64 HG SER 64 8.266 -9.619 5.480 491 H GLU 65 HN GLU 65 9.485 -6.448 3.824 492 HA GLU 65 HA GLU 65 9.390 -3.830 3.811 493 HB2 GLU 65 HB2 GLU 65 7.345 -3.912 5.432 494 HB3 GLU 65 HB1 GLU 65 8.468 -4.532 6.641 495 HG2 GLU 65 HG2 GLU 65 9.875 -2.506 6.283 496 HG3 GLU 65 HG1 GLU 65 8.607 -1.869 5.250 497 H ASN 66 HN ASN 66 9.981 -6.708 5.484 498 HA ASN 66 HA ASN 66 12.460 -6.315 6.709 499 HB2 ASN 66 HB2 ASN 66 11.089 -8.376 6.822 500 HB3 ASN 66 HB1 ASN 66 11.410 -8.675 5.127 501 HD21 ASN 66 HD21 ASN 66 13.810 -7.644 7.566 502 HD22 ASN 66 HD22 ASN 66 14.682 -9.119 7.479 503 H GLU 67 HN GLU 67 11.547 -6.203 3.528 504 HA GLU 67 HA GLU 67 14.275 -5.858 2.529 505 HB2 GLU 67 HB2 GLU 67 13.519 -6.892 0.422 506 HB3 GLU 67 HB1 GLU 67 13.271 -7.993 1.800 507 HG2 GLU 67 HG2 GLU 67 10.904 -7.168 1.815 508 HG3 GLU 67 HG1 GLU 67 11.277 -6.362 0.293 509 H GLU 68 HN GLU 68 14.265 -4.299 0.784 510 HA GLU 68 HA GLU 68 11.987 -2.846 -0.015 511 HB2 GLU 68 HB2 GLU 68 12.650 -2.055 2.473 512 HB3 GLU 68 HB1 GLU 68 13.894 -1.159 1.623 513 HG2 GLU 68 HG2 GLU 68 10.905 -0.873 1.253 514 HG3 GLU 68 HG1 GLU 68 11.965 0.244 2.108 515 H THR 69 HN THR 69 12.859 -1.101 -1.581 516 HA THR 69 HA THR 69 15.631 -1.400 -2.132 517 HB THR 69 HB THR 69 14.805 -3.497 -3.079 518 HG1 THR 69 HG1 THR 69 15.407 -1.819 -5.264 519 HG21 THR 69 HG21 THR 69 13.086 -1.770 -4.864 520 HG22 THR 69 HG22 THR 69 12.517 -2.840 -3.584 521 HG23 THR 69 HG23 THR 69 13.286 -3.517 -5.019 522 H GLU 70 HN GLU 70 13.532 0.810 -1.846 523 HA GLU 70 HA GLU 70 14.965 2.261 -3.929 524 HB2 GLU 70 HB2 GLU 70 13.084 3.961 -3.797 525 HB3 GLU 70 HB1 GLU 70 12.761 2.457 -4.641 526 HG2 GLU 70 HG2 GLU 70 11.705 1.592 -2.683 527 HG3 GLU 70 HG1 GLU 70 11.980 3.107 -1.836 528 H ASP 71 HN ASP 71 14.719 1.740 -0.810 529 HA ASP 71 HA ASP 71 15.637 4.355 0.037 530 HB2 ASP 71 HB2 ASP 71 14.391 2.890 1.540 531 HB3 ASP 71 HB1 ASP 71 15.666 1.686 1.456 532 H LEU 72 HN LEU 72 16.750 1.681 -1.329 533 HA LEU 72 HA LEU 72 19.532 1.808 -0.477 534 HB2 LEU 72 HB2 LEU 72 18.180 -0.006 -2.466 535 HB3 LEU 72 HB1 LEU 72 19.848 -0.132 -1.951 536 HG LEU 72 HG LEU 72 17.424 -0.542 -0.199 537 HD11 LEU 72 HD11 LEU 72 17.752 -2.348 -1.782 538 HD12 LEU 72 HD12 LEU 72 18.176 -2.869 -0.151 539 HD13 LEU 72 HD13 LEU 72 19.444 -2.482 -1.306 540 HD21 LEU 72 HD21 LEU 72 19.262 0.399 1.092 541 HD22 LEU 72 HD22 LEU 72 20.371 -0.785 0.410 542 HD23 LEU 72 HD23 LEU 72 19.074 -1.313 1.479 543 H GLU 73 HN GLU 73 18.095 3.881 -2.229 544 HA GLU 73 HA GLU 73 19.548 3.832 -4.675 545 HB2 GLU 73 HB2 GLU 73 18.151 6.104 -3.247 546 HB3 GLU 73 HB1 GLU 73 18.885 6.251 -4.837 547 HG2 GLU 73 HG2 GLU 73 16.586 4.458 -4.085 548 HG3 GLU 73 HG1 GLU 73 16.505 5.937 -5.042 549 H HIS 74 HN HIS 74 21.622 3.867 -4.688 550 HA HIS 74 HA HIS 74 23.140 5.013 -2.543 551 HB2 HIS 74 HB2 HIS 74 23.760 2.878 -3.734 552 HB3 HIS 74 HB1 HIS 74 24.146 3.848 -5.147 553 HD1 HIS 74 HD1 HIS 74 26.448 5.117 -5.109 554 HD2 HIS 74 HD2 HIS 74 25.522 3.099 -1.599 555 HE1 HIS 74 HE1 HIS 74 28.553 5.088 -3.752 556 H HIS 75 HN HIS 75 22.629 7.140 -2.687 557 HA HIS 75 HA HIS 75 23.974 8.570 -4.878 558 HB2 HIS 75 HB2 HIS 75 21.469 8.788 -4.988 559 HB3 HIS 75 HB1 HIS 75 21.499 9.512 -3.387 560 HD1 HIS 75 HD1 HIS 75 21.054 11.973 -3.691 561 HD2 HIS 75 HD2 HIS 75 23.542 10.435 -6.640 562 HE1 HIS 75 HE1 HIS 75 21.676 13.917 -5.174 563 H HIS 76 HN HIS 76 22.921 8.578 -1.492 564 HA HIS 76 HA HIS 76 25.404 9.157 -0.468 565 HB2 HIS 76 HB2 HIS 76 24.611 11.507 -1.334 566 HB3 HIS 76 HB1 HIS 76 23.384 11.405 -0.078 567 HD1 HIS 76 HD1 HIS 76 24.254 11.618 2.415 568 HD2 HIS 76 HD2 HIS 76 27.165 12.062 -0.505 569 HE1 HIS 76 HE1 HIS 76 26.271 12.600 3.577 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -12.340 7.882 -8.560 2 H2 ALA 1 HT2 ALA 1 -11.949 7.511 -6.961 3 H3 ALA 1 HT3 ALA 1 -11.113 6.754 -8.188 4 HA ALA 1 HA ALA 1 -9.743 8.370 -7.231 5 HB1 ALA 1 HB1 ALA 1 -9.221 9.747 -9.177 6 HB2 ALA 1 HB2 ALA 1 -10.780 9.354 -9.894 7 HB3 ALA 1 HB3 ALA 1 -9.569 8.090 -9.667 8 H ASP 2 HN ASP 2 -9.893 9.787 -5.738 9 HA ASP 2 HA ASP 2 -11.213 12.300 -6.005 10 HB2 ASP 2 HB2 ASP 2 -13.215 10.962 -5.574 11 HB3 ASP 2 HB1 ASP 2 -12.452 10.251 -4.158 12 H LYS 3 HN LYS 3 -9.963 9.802 -3.904 13 HA LYS 3 HA LYS 3 -8.426 9.716 -2.282 14 HB2 LYS 3 HB2 LYS 3 -7.668 12.500 -3.184 15 HB3 LYS 3 HB1 LYS 3 -6.727 11.523 -2.073 16 HG2 LYS 3 HG2 LYS 3 -7.281 10.899 -4.970 17 HG3 LYS 3 HG1 LYS 3 -5.757 11.471 -4.296 18 HD2 LYS 3 HD2 LYS 3 -5.701 9.373 -2.897 19 HD3 LYS 3 HD1 LYS 3 -7.108 8.816 -3.804 20 HE2 LYS 3 HE2 LYS 3 -5.039 7.885 -4.737 21 HE3 LYS 3 HE1 LYS 3 -5.842 8.955 -5.887 22 HZ1 LYS 3 HZ1 LYS 3 -3.373 9.305 -5.713 23 HZ2 LYS 3 HZ2 LYS 3 -3.607 9.787 -4.133 24 HZ3 LYS 3 HZ3 LYS 3 -4.282 10.683 -5.377 25 H GLN 4 HN GLN 4 -11.064 10.983 -2.042 26 HA GLN 4 HA GLN 4 -12.475 11.624 -0.506 27 HB2 GLN 4 HB2 GLN 4 -10.955 10.085 0.928 28 HB3 GLN 4 HB1 GLN 4 -10.372 11.590 1.620 29 HG2 GLN 4 HG2 GLN 4 -12.072 10.772 3.036 30 HG3 GLN 4 HG1 GLN 4 -12.713 12.169 2.180 31 HE21 GLN 4 HE21 GLN 4 -14.395 11.890 0.768 32 HE22 GLN 4 HE22 GLN 4 -15.274 10.410 0.611 33 H THR 5 HN THR 5 -12.614 13.557 -1.550 34 HA THR 5 HA THR 5 -11.067 15.788 -0.664 35 HB THR 5 HB THR 5 -12.743 17.092 -2.115 36 HG1 THR 5 HG1 THR 5 -13.439 14.640 -3.323 37 HG21 THR 5 HG21 THR 5 -10.513 16.419 -2.889 38 HG22 THR 5 HG22 THR 5 -11.690 16.305 -4.195 39 HG23 THR 5 HG23 THR 5 -11.146 14.847 -3.366 40 H HIS 6 HN HIS 6 -14.206 14.476 0.057 41 HA HIS 6 HA HIS 6 -14.520 16.543 2.125 42 HB2 HIS 6 HB2 HIS 6 -16.651 14.909 0.718 43 HB3 HIS 6 HB1 HIS 6 -16.962 15.949 2.099 44 HD1 HIS 6 HD1 HIS 6 -17.138 16.013 -1.484 45 HD2 HIS 6 HD2 HIS 6 -16.089 18.748 1.462 46 HE1 HIS 6 HE1 HIS 6 -17.398 18.297 -2.513 47 H GLU 7 HN GLU 7 -14.935 15.896 4.187 48 HA GLU 7 HA GLU 7 -14.880 14.663 6.039 49 HB2 GLU 7 HB2 GLU 7 -15.076 12.199 4.272 50 HB3 GLU 7 HB1 GLU 7 -15.065 12.162 6.028 51 HG2 GLU 7 HG2 GLU 7 -17.147 13.439 6.065 52 HG3 GLU 7 HG1 GLU 7 -17.143 13.484 4.305 53 H THR 8 HN THR 8 -13.190 14.403 7.283 54 HA THR 8 HA THR 8 -10.699 13.926 5.875 55 HB THR 8 HB THR 8 -11.017 14.963 8.710 56 HG1 THR 8 HG1 THR 8 -11.870 16.234 6.857 57 HG21 THR 8 HG21 THR 8 -8.797 13.984 8.254 58 HG22 THR 8 HG22 THR 8 -8.681 15.742 8.375 59 HG23 THR 8 HG23 THR 8 -8.661 14.963 6.794 60 H GLU 9 HN GLU 9 -11.570 11.768 5.703 61 HA GLU 9 HA GLU 9 -9.917 9.936 6.984 62 HB2 GLU 9 HB2 GLU 9 -11.630 8.517 7.995 63 HB3 GLU 9 HB1 GLU 9 -11.709 10.108 8.749 64 HG2 GLU 9 HG2 GLU 9 -13.670 10.687 7.515 65 HG3 GLU 9 HG1 GLU 9 -13.540 9.244 6.520 66 H LEU 10 HN LEU 10 -9.977 8.099 5.645 67 HA LEU 10 HA LEU 10 -11.656 8.673 3.327 68 HB2 LEU 10 HB2 LEU 10 -9.392 6.770 3.012 69 HB3 LEU 10 HB1 LEU 10 -10.166 7.859 1.897 70 HG LEU 10 HG LEU 10 -8.966 9.736 3.233 71 HD11 LEU 10 HD11 LEU 10 -6.849 9.029 4.202 72 HD12 LEU 10 HD12 LEU 10 -7.308 7.344 3.897 73 HD13 LEU 10 HD13 LEU 10 -8.236 8.309 5.043 74 HD21 LEU 10 HD21 LEU 10 -7.484 7.820 1.437 75 HD22 LEU 10 HD22 LEU 10 -7.007 9.487 1.765 76 HD23 LEU 10 HD23 LEU 10 -8.514 9.148 0.904 77 H THR 11 HN THR 11 -12.190 6.657 2.133 78 HA THR 11 HA THR 11 -13.112 4.760 4.126 79 HB THR 11 HB THR 11 -14.726 4.050 2.440 80 HG1 THR 11 HG1 THR 11 -14.676 5.426 0.419 81 HG21 THR 11 HG21 THR 11 -15.320 6.006 3.782 82 HG22 THR 11 HG22 THR 11 -15.967 6.169 2.145 83 HG23 THR 11 HG23 THR 11 -14.503 7.043 2.615 84 H PHE 12 HN PHE 12 -13.321 2.484 3.072 85 HA PHE 12 HA PHE 12 -10.696 1.572 2.782 86 HB2 PHE 12 HB2 PHE 12 -12.479 0.141 3.663 87 HB3 PHE 12 HB1 PHE 12 -13.288 0.159 2.104 88 HD1 PHE 12 HD1 PHE 12 -13.025 -1.697 0.803 89 HD2 PHE 12 HD2 PHE 12 -9.935 -0.582 3.477 90 HE1 PHE 12 HE1 PHE 12 -11.728 -3.677 0.125 91 HE2 PHE 12 HE2 PHE 12 -8.641 -2.546 2.820 92 HZ PHE 12 HZ PHE 12 -9.516 -4.092 1.149 93 H ASP 13 HN ASP 13 -13.235 2.178 0.589 94 HA ASP 13 HA ASP 13 -12.096 1.456 -1.879 95 HB2 ASP 13 HB2 ASP 13 -14.066 3.676 -1.296 96 HB3 ASP 13 HB1 ASP 13 -13.691 3.080 -2.898 97 H GLN 14 HN GLN 14 -11.919 4.429 -0.083 98 HA GLN 14 HA GLN 14 -10.526 5.932 -2.125 99 HB2 GLN 14 HB2 GLN 14 -10.908 6.460 0.819 100 HB3 GLN 14 HB1 GLN 14 -10.168 7.600 -0.307 101 HG2 GLN 14 HG2 GLN 14 -12.908 6.554 -0.782 102 HG3 GLN 14 HG1 GLN 14 -12.620 7.897 0.323 103 HE21 GLN 14 HE21 GLN 14 -13.719 9.282 -0.937 104 HE22 GLN 14 HE22 GLN 14 -13.110 9.900 -2.425 105 H VAL 15 HN VAL 15 -9.632 4.098 0.696 106 HA VAL 15 HA VAL 15 -6.928 4.988 0.726 107 HB VAL 15 HB VAL 15 -8.294 2.713 2.210 108 HG11 VAL 15 HG11 VAL 15 -6.114 2.500 3.445 109 HG12 VAL 15 HG12 VAL 15 -5.426 3.664 2.274 110 HG13 VAL 15 HG13 VAL 15 -5.967 2.105 1.725 111 HG21 VAL 15 HG21 VAL 15 -7.761 4.088 4.180 112 HG22 VAL 15 HG22 VAL 15 -8.807 4.923 3.041 113 HG23 VAL 15 HG23 VAL 15 -7.079 5.321 3.121 114 H LYS 16 HN LYS 16 -8.661 2.077 -0.494 115 HA LYS 16 HA LYS 16 -6.520 0.758 -1.377 116 HB2 LYS 16 HB2 LYS 16 -9.348 1.018 -2.103 117 HB3 LYS 16 HB1 LYS 16 -8.369 0.222 -3.281 118 HG2 LYS 16 HG2 LYS 16 -7.635 -1.275 -1.241 119 HG3 LYS 16 HG1 LYS 16 -9.032 -0.564 -0.445 120 HD2 LYS 16 HD2 LYS 16 -9.097 -2.130 -3.042 121 HD3 LYS 16 HD1 LYS 16 -9.566 -2.741 -1.460 122 HE2 LYS 16 HE2 LYS 16 -11.383 -1.173 -1.340 123 HE3 LYS 16 HE1 LYS 16 -10.844 -0.398 -2.823 124 HZ1 LYS 16 HZ1 LYS 16 -11.303 -2.551 -3.971 125 HZ2 LYS 16 HZ2 LYS 16 -12.656 -1.801 -3.350 126 HZ3 LYS 16 HZ3 LYS 16 -12.019 -3.126 -2.544 127 H GLU 17 HN GLU 17 -8.269 3.410 -2.989 128 HA GLU 17 HA GLU 17 -6.605 3.277 -5.226 129 HB2 GLU 17 HB2 GLU 17 -8.331 5.502 -4.211 130 HB3 GLU 17 HB1 GLU 17 -7.368 5.651 -5.673 131 HG2 GLU 17 HG2 GLU 17 -8.560 3.656 -6.574 132 HG3 GLU 17 HG1 GLU 17 -9.609 3.707 -5.155 133 H GLN 18 HN GLN 18 -6.010 4.811 -2.081 134 HA GLN 18 HA GLN 18 -4.057 6.525 -3.113 135 HB2 GLN 18 HB2 GLN 18 -3.522 7.201 -0.865 136 HB3 GLN 18 HB1 GLN 18 -5.205 6.693 -0.824 137 HG2 GLN 18 HG2 GLN 18 -4.695 4.698 0.224 138 HG3 GLN 18 HG1 GLN 18 -2.965 4.922 -0.019 139 HE21 GLN 18 HE21 GLN 18 -5.730 5.940 1.850 140 HE22 GLN 18 HE22 GLN 18 -4.817 6.748 3.073 141 H LEU 19 HN LEU 19 -3.979 3.479 -1.666 142 HA LEU 19 HA LEU 19 -1.230 2.991 -1.751 143 HB2 LEU 19 HB2 LEU 19 -3.697 1.463 -1.452 144 HB3 LEU 19 HB1 LEU 19 -2.204 0.611 -1.655 145 HG LEU 19 HG LEU 19 -2.823 2.620 0.546 146 HD11 LEU 19 HD11 LEU 19 -2.710 -0.363 0.599 147 HD12 LEU 19 HD12 LEU 19 -4.149 0.644 0.744 148 HD13 LEU 19 HD13 LEU 19 -2.914 0.673 2.016 149 HD21 LEU 19 HD21 LEU 19 -0.788 1.758 1.608 150 HD22 LEU 19 HD22 LEU 19 -0.436 2.531 0.070 151 HD23 LEU 19 HD23 LEU 19 -0.466 0.768 0.186 152 H THR 20 HN THR 20 -3.879 2.115 -3.920 153 HA THR 20 HA THR 20 -2.492 0.526 -5.672 154 HB THR 20 HB THR 20 -4.873 2.317 -5.957 155 HG1 THR 20 HG1 THR 20 -4.454 -0.099 -5.024 156 HG21 THR 20 HG21 THR 20 -3.801 0.454 -8.105 157 HG22 THR 20 HG22 THR 20 -3.905 2.226 -8.160 158 HG23 THR 20 HG23 THR 20 -5.381 1.263 -8.124 159 H GLU 21 HN GLU 21 -3.051 4.026 -5.843 160 HA GLU 21 HA GLU 21 -1.696 4.399 -8.267 161 HB2 GLU 21 HB2 GLU 21 -3.235 5.956 -7.472 162 HB3 GLU 21 HB1 GLU 21 -2.342 6.240 -5.983 163 HG2 GLU 21 HG2 GLU 21 -0.449 7.097 -7.432 164 HG3 GLU 21 HG1 GLU 21 -1.581 7.060 -8.781 165 H SER 22 HN SER 22 -0.721 4.540 -4.992 166 HA SER 22 HA SER 22 1.870 5.643 -5.381 167 HB2 SER 22 HB2 SER 22 0.836 4.056 -3.016 168 HB3 SER 22 HB1 SER 22 2.307 5.027 -3.020 169 HG SER 22 HG SER 22 -0.382 5.839 -3.119 170 H GLY 23 HN GLY 23 0.732 2.365 -4.945 171 HA2 GLY 23 HA2 GLY 23 3.234 1.037 -5.089 172 HA3 GLY 23 HA1 GLY 23 1.667 0.326 -5.454 173 H LYS 24 HN LYS 24 0.936 2.088 -7.532 174 HA LYS 24 HA LYS 24 2.173 0.890 -9.725 175 HB2 LYS 24 HB2 LYS 24 0.332 3.192 -9.358 176 HB3 LYS 24 HB1 LYS 24 0.872 2.645 -10.950 177 HG2 LYS 24 HG2 LYS 24 -0.220 0.725 -8.996 178 HG3 LYS 24 HG1 LYS 24 -1.344 1.749 -9.875 179 HD2 LYS 24 HD2 LYS 24 0.829 0.046 -11.196 180 HD3 LYS 24 HD1 LYS 24 -0.792 -0.567 -10.911 181 HE2 LYS 24 HE2 LYS 24 -1.745 1.002 -12.291 182 HE3 LYS 24 HE1 LYS 24 -0.276 1.969 -12.440 183 HZ1 LYS 24 HZ1 LYS 24 -0.571 -0.816 -13.512 184 HZ2 LYS 24 HZ2 LYS 24 0.713 0.239 -13.796 185 HZ3 LYS 24 HZ3 LYS 24 -0.797 0.567 -14.418 186 H LYS 25 HN LYS 25 2.742 3.968 -8.115 187 HA LYS 25 HA LYS 25 4.430 4.975 -10.155 188 HB2 LYS 25 HB2 LYS 25 4.086 5.745 -7.264 189 HB3 LYS 25 HB1 LYS 25 5.009 6.675 -8.438 190 HG2 LYS 25 HG2 LYS 25 3.000 7.099 -9.725 191 HG3 LYS 25 HG1 LYS 25 2.075 6.044 -8.653 192 HD2 LYS 25 HD2 LYS 25 1.647 8.359 -8.085 193 HD3 LYS 25 HD1 LYS 25 2.545 7.577 -6.789 194 HE2 LYS 25 HE2 LYS 25 4.627 8.581 -7.684 195 HE3 LYS 25 HE1 LYS 25 3.664 9.404 -8.911 196 HZ1 LYS 25 HZ1 LYS 25 3.431 9.742 -5.985 197 HZ2 LYS 25 HZ2 LYS 25 2.464 10.531 -7.117 198 HZ3 LYS 25 HZ3 LYS 25 4.117 10.846 -7.038 199 H ARG 26 HN ARG 26 4.856 3.265 -7.171 200 HA ARG 26 HA ARG 26 7.736 3.455 -7.235 201 HB2 ARG 26 HB2 ARG 26 6.027 1.620 -5.551 202 HB3 ARG 26 HB1 ARG 26 7.729 1.969 -5.316 203 HG2 ARG 26 HG2 ARG 26 7.152 4.305 -4.817 204 HG3 ARG 26 HG1 ARG 26 5.449 3.906 -5.011 205 HD2 ARG 26 HD2 ARG 26 5.956 3.845 -2.653 206 HD3 ARG 26 HD1 ARG 26 5.701 2.192 -3.229 207 HE ARG 26 HE ARG 26 8.443 2.960 -3.292 208 HH11 ARG 26 HH11 ARG 26 5.898 1.726 -1.097 209 HH12 ARG 26 HH12 ARG 26 6.949 0.976 -0.050 210 HH21 ARG 26 HH21 ARG 26 9.962 1.962 -1.752 211 HH22 ARG 26 HH22 ARG 26 9.334 1.125 -0.422 212 H GLY 27 HN GLY 27 5.336 0.967 -7.763 213 HA2 GLY 27 HA2 GLY 27 5.455 -0.789 -9.250 214 HA3 GLY 27 HA1 GLY 27 7.223 -0.712 -9.216 215 H VAL 28 HN VAL 28 5.687 -0.248 -6.223 216 HA VAL 28 HA VAL 28 5.687 -2.952 -5.331 217 HB VAL 28 HB VAL 28 8.095 -2.375 -5.748 218 HG11 VAL 28 HG11 VAL 28 8.162 -0.124 -5.000 219 HG12 VAL 28 HG12 VAL 28 9.300 -1.104 -4.058 220 HG13 VAL 28 HG13 VAL 28 7.748 -0.627 -3.358 221 HG21 VAL 28 HG21 VAL 28 7.426 -4.205 -4.411 222 HG22 VAL 28 HG22 VAL 28 7.289 -3.136 -3.005 223 HG23 VAL 28 HG23 VAL 28 8.877 -3.449 -3.740 224 H LEU 29 HN LEU 29 5.007 -3.168 -3.303 225 HA LEU 29 HA LEU 29 4.750 -0.895 -1.563 226 HB2 LEU 29 HB2 LEU 29 2.497 -2.643 -2.500 227 HB3 LEU 29 HB1 LEU 29 2.410 -1.802 -0.979 228 HG LEU 29 HG LEU 29 2.596 -0.519 -3.716 229 HD11 LEU 29 HD11 LEU 29 0.464 -1.626 -3.359 230 HD12 LEU 29 HD12 LEU 29 0.266 0.126 -3.286 231 HD13 LEU 29 HD13 LEU 29 0.294 -0.822 -1.802 232 HD21 LEU 29 HD21 LEU 29 3.593 0.890 -1.981 233 HD22 LEU 29 HD22 LEU 29 2.149 0.686 -0.992 234 HD23 LEU 29 HD23 LEU 29 2.048 1.545 -2.530 235 H THR 30 HN THR 30 5.350 -1.637 0.484 236 HA THR 30 HA THR 30 5.800 -4.413 0.913 237 HB THR 30 HB THR 30 6.183 -3.770 3.310 238 HG1 THR 30 HG1 THR 30 5.784 -1.127 2.372 239 HG21 THR 30 HG21 THR 30 7.662 -2.284 1.161 240 HG22 THR 30 HG22 THR 30 8.056 -3.834 1.957 241 HG23 THR 30 HG23 THR 30 8.161 -2.327 2.858 242 H TYR 31 HN TYR 31 4.641 -5.813 2.300 243 HA TYR 31 HA TYR 31 1.869 -5.713 2.342 244 HB2 TYR 31 HB2 TYR 31 3.658 -7.110 4.342 245 HB3 TYR 31 HB1 TYR 31 1.938 -7.387 4.199 246 HD1 TYR 31 HD1 TYR 31 5.086 -8.541 3.309 247 HD2 TYR 31 HD2 TYR 31 1.166 -8.134 1.753 248 HE1 TYR 31 HE1 TYR 31 5.550 -10.358 1.706 249 HE2 TYR 31 HE2 TYR 31 1.603 -9.948 0.142 250 HH TYR 31 HH TYR 31 3.554 -11.018 -0.934 251 H GLU 32 HN GLU 32 4.127 -4.422 4.729 252 HA GLU 32 HA GLU 32 2.050 -3.935 6.600 253 HB2 GLU 32 HB2 GLU 32 4.280 -4.435 7.422 254 HB3 GLU 32 HB1 GLU 32 4.911 -2.985 6.654 255 HG2 GLU 32 HG2 GLU 32 3.695 -1.572 8.129 256 HG3 GLU 32 HG1 GLU 32 2.780 -2.930 8.774 257 H GLU 33 HN GLU 33 3.543 -1.933 4.088 258 HA GLU 33 HA GLU 33 2.479 0.462 5.274 259 HB2 GLU 33 HB2 GLU 33 3.244 1.643 3.328 260 HB3 GLU 33 HB1 GLU 33 4.472 0.468 3.743 261 HG2 GLU 33 HG2 GLU 33 3.524 -1.020 1.976 262 HG3 GLU 33 HG1 GLU 33 2.486 0.335 1.511 263 H ILE 34 HN ILE 34 1.416 -1.977 3.161 264 HA ILE 34 HA ILE 34 -0.897 -0.674 2.208 265 HB ILE 34 HB ILE 34 -0.228 -3.614 2.452 266 HG12 ILE 34 HG12 ILE 34 -0.199 -1.768 0.075 267 HG13 ILE 34 HG11 ILE 34 1.228 -2.224 1.004 268 HG21 ILE 34 HG21 ILE 34 -2.624 -3.322 2.376 269 HG22 ILE 34 HG22 ILE 34 -2.074 -3.920 0.797 270 HG23 ILE 34 HG23 ILE 34 -2.477 -2.223 1.012 271 HD11 ILE 34 HD11 ILE 34 0.865 -4.552 0.372 272 HD12 ILE 34 HD12 ILE 34 1.058 -3.483 -1.022 273 HD13 ILE 34 HD13 ILE 34 -0.545 -4.061 -0.576 274 H ALA 35 HN ALA 35 -0.174 -2.748 5.056 275 HA ALA 35 HA ALA 35 -2.826 -3.073 5.792 276 HB1 ALA 35 HB1 ALA 35 -1.857 -4.035 7.844 277 HB2 ALA 35 HB2 ALA 35 -0.252 -3.534 7.294 278 HB3 ALA 35 HB3 ALA 35 -1.179 -4.714 6.369 279 H GLU 36 HN GLU 36 -0.307 -0.757 6.279 280 HA GLU 36 HA GLU 36 -0.907 0.293 8.786 281 HB2 GLU 36 HB2 GLU 36 1.215 0.547 7.505 282 HB3 GLU 36 HB1 GLU 36 0.373 1.668 6.440 283 HG2 GLU 36 HG2 GLU 36 1.634 2.898 8.095 284 HG3 GLU 36 HG1 GLU 36 -0.111 3.078 8.352 285 H ARG 37 HN ARG 37 -2.009 1.201 5.513 286 HA ARG 37 HA ARG 37 -3.446 3.442 6.510 287 HB2 ARG 37 HB2 ARG 37 -3.781 1.986 3.895 288 HB3 ARG 37 HB1 ARG 37 -4.288 3.621 4.272 289 HG2 ARG 37 HG2 ARG 37 -1.454 2.652 4.102 290 HG3 ARG 37 HG1 ARG 37 -2.306 3.571 2.868 291 HD2 ARG 37 HD2 ARG 37 -2.494 5.471 4.369 292 HD3 ARG 37 HD1 ARG 37 -1.735 4.547 5.670 293 HE ARG 37 HE ARG 37 0.129 4.371 3.837 294 HH11 ARG 37 HH11 ARG 37 -1.721 7.261 4.732 295 HH12 ARG 37 HH12 ARG 37 -0.468 8.332 4.364 296 HH21 ARG 37 HH21 ARG 37 1.839 5.814 3.365 297 HH22 ARG 37 HH22 ARG 37 1.615 7.487 3.485 298 H MET 38 HN MET 38 -4.025 0.060 6.052 299 HA MET 38 HA MET 38 -6.887 0.328 6.055 300 HB2 MET 38 HB2 MET 38 -5.251 -2.219 6.180 301 HB3 MET 38 HB1 MET 38 -6.966 -2.096 5.898 302 HG2 MET 38 HG2 MET 38 -4.801 -1.085 4.091 303 HG3 MET 38 HG1 MET 38 -5.796 -2.524 3.839 304 HE1 MET 38 HE1 MET 38 -5.425 -0.565 1.606 305 HE2 MET 38 HE2 MET 38 -7.035 -0.145 1.036 306 HE3 MET 38 HE3 MET 38 -6.648 -1.823 1.422 307 H SER 39 HN SER 39 -4.668 0.476 8.427 308 HA SER 39 HA SER 39 -5.709 -1.214 10.436 309 HB2 SER 39 HB2 SER 39 -4.385 0.180 11.985 310 HB3 SER 39 HB1 SER 39 -3.450 -0.275 10.557 311 HG SER 39 HG SER 39 -3.332 1.746 9.989 312 H SER 40 HN SER 40 -6.656 1.849 9.174 313 HA SER 40 HA SER 40 -8.195 2.832 11.303 314 HB2 SER 40 HB2 SER 40 -8.563 3.248 8.337 315 HB3 SER 40 HB1 SER 40 -9.080 4.335 9.625 316 HG SER 40 HG SER 40 -6.707 4.248 10.190 317 H PHE 41 HN PHE 41 -8.693 0.481 8.827 318 HA PHE 41 HA PHE 41 -11.539 0.169 9.489 319 HB2 PHE 41 HB2 PHE 41 -9.959 -1.147 7.296 320 HB3 PHE 41 HB1 PHE 41 -11.707 -0.976 7.349 321 HD1 PHE 41 HD1 PHE 41 -8.822 0.117 5.900 322 HD2 PHE 41 HD2 PHE 41 -12.424 1.630 7.542 323 HE1 PHE 41 HE1 PHE 41 -8.508 2.180 4.635 324 HE2 PHE 41 HE2 PHE 41 -12.139 3.712 6.269 325 HZ PHE 41 HZ PHE 41 -10.174 3.989 4.813 326 H GLU 42 HN GLU 42 -11.974 -2.416 9.066 327 HA GLU 42 HA GLU 42 -9.998 -3.881 10.632 328 HB2 GLU 42 HB2 GLU 42 -13.004 -4.233 10.540 329 HB3 GLU 42 HB1 GLU 42 -11.891 -5.266 11.434 330 HG2 GLU 42 HG2 GLU 42 -11.263 -3.425 12.842 331 HG3 GLU 42 HG1 GLU 42 -12.243 -2.318 11.894 332 H ILE 43 HN ILE 43 -8.937 -4.406 8.716 333 HA ILE 43 HA ILE 43 -10.485 -5.863 6.727 334 HB ILE 43 HB ILE 43 -7.719 -4.669 6.409 335 HG12 ILE 43 HG12 ILE 43 -9.461 -2.994 6.807 336 HG13 ILE 43 HG11 ILE 43 -8.794 -2.887 5.183 337 HG21 ILE 43 HG21 ILE 43 -8.047 -5.008 4.050 338 HG22 ILE 43 HG22 ILE 43 -9.611 -5.754 4.373 339 HG23 ILE 43 HG23 ILE 43 -8.132 -6.541 4.929 340 HD11 ILE 43 HD11 ILE 43 -10.717 -4.128 4.354 341 HD12 ILE 43 HD12 ILE 43 -11.176 -2.595 5.108 342 HD13 ILE 43 HD13 ILE 43 -11.431 -4.124 5.972 343 H GLU 44 HN GLU 44 -10.339 -7.796 6.628 344 HA GLU 44 HA GLU 44 -8.635 -9.472 8.218 345 HB2 GLU 44 HB2 GLU 44 -10.542 -10.125 5.989 346 HB3 GLU 44 HB1 GLU 44 -9.776 -11.308 7.036 347 HG2 GLU 44 HG2 GLU 44 -10.906 -10.347 8.950 348 HG3 GLU 44 HG1 GLU 44 -11.652 -9.142 7.908 349 H SER 45 HN SER 45 -7.363 -11.195 7.330 350 HA SER 45 HA SER 45 -5.457 -10.289 5.490 351 HB2 SER 45 HB2 SER 45 -4.698 -12.722 5.795 352 HB3 SER 45 HB1 SER 45 -4.804 -11.696 7.240 353 HG SER 45 HG SER 45 -6.329 -13.882 6.523 354 H ASP 46 HN ASP 46 -8.434 -12.009 5.178 355 HA ASP 46 HA ASP 46 -7.968 -13.244 2.659 356 HB2 ASP 46 HB2 ASP 46 -10.573 -12.373 3.937 357 HB3 ASP 46 HB1 ASP 46 -10.432 -13.460 2.565 358 H GLN 47 HN GLN 47 -9.572 -10.333 3.750 359 HA GLN 47 HA GLN 47 -10.256 -9.218 1.267 360 HB2 GLN 47 HB2 GLN 47 -9.564 -7.865 3.845 361 HB3 GLN 47 HB1 GLN 47 -10.389 -7.109 2.490 362 HG2 GLN 47 HG2 GLN 47 -12.235 -8.728 2.804 363 HG3 GLN 47 HG1 GLN 47 -11.384 -9.360 4.198 364 HE21 GLN 47 HE21 GLN 47 -13.030 -6.550 2.939 365 HE22 GLN 47 HE22 GLN 47 -13.236 -5.791 4.469 366 H MET 48 HN MET 48 -7.411 -8.878 3.346 367 HA MET 48 HA MET 48 -6.132 -6.993 1.817 368 HB2 MET 48 HB2 MET 48 -5.055 -8.996 3.768 369 HB3 MET 48 HB1 MET 48 -3.955 -8.000 2.840 370 HG2 MET 48 HG2 MET 48 -6.149 -6.798 4.490 371 HG3 MET 48 HG1 MET 48 -4.615 -7.263 5.197 372 HE1 MET 48 HE1 MET 48 -5.159 -3.776 2.161 373 HE2 MET 48 HE2 MET 48 -6.443 -4.905 2.614 374 HE3 MET 48 HE3 MET 48 -5.124 -5.409 1.542 375 H ASP 49 HN ASP 49 -5.978 -10.535 1.644 376 HA ASP 49 HA ASP 49 -3.935 -10.695 -0.313 377 HB2 ASP 49 HB2 ASP 49 -4.734 -12.609 1.122 378 HB3 ASP 49 HB1 ASP 49 -6.152 -12.698 0.087 379 H GLU 50 HN GLU 50 -7.392 -10.481 -0.481 380 HA GLU 50 HA GLU 50 -7.748 -10.825 -3.199 381 HB2 GLU 50 HB2 GLU 50 -9.585 -10.731 -1.568 382 HB3 GLU 50 HB1 GLU 50 -9.257 -9.031 -1.284 383 HG2 GLU 50 HG2 GLU 50 -11.198 -9.265 -2.674 384 HG3 GLU 50 HG1 GLU 50 -9.883 -8.550 -3.600 385 H TYR 51 HN TYR 51 -7.029 -7.941 -1.288 386 HA TYR 51 HA TYR 51 -6.926 -6.157 -3.492 387 HB2 TYR 51 HB2 TYR 51 -7.320 -5.411 -1.164 388 HB3 TYR 51 HB1 TYR 51 -5.687 -5.882 -0.753 389 HD1 TYR 51 HD1 TYR 51 -4.520 -3.969 -0.244 390 HD2 TYR 51 HD2 TYR 51 -6.963 -3.959 -3.759 391 HE1 TYR 51 HE1 TYR 51 -3.650 -1.757 -0.870 392 HE2 TYR 51 HE2 TYR 51 -6.106 -1.770 -4.336 393 HH TYR 51 HH TYR 51 -5.054 0.181 -3.205 394 H TYR 52 HN TYR 52 -4.529 -8.221 -1.894 395 HA TYR 52 HA TYR 52 -2.280 -7.073 -3.105 396 HB2 TYR 52 HB2 TYR 52 -2.636 -9.904 -2.078 397 HB3 TYR 52 HB1 TYR 52 -1.097 -9.248 -2.621 398 HD1 TYR 52 HD1 TYR 52 -2.052 -10.348 0.213 399 HD2 TYR 52 HD2 TYR 52 -1.474 -6.451 -1.408 400 HE1 TYR 52 HE1 TYR 52 -1.696 -9.433 2.475 401 HE2 TYR 52 HE2 TYR 52 -1.112 -5.580 0.824 402 HH TYR 52 HH TYR 52 -1.807 -6.200 3.164 403 H GLU 53 HN GLU 53 -4.348 -9.734 -4.198 404 HA GLU 53 HA GLU 53 -2.944 -10.268 -6.554 405 HB2 GLU 53 HB2 GLU 53 -4.727 -11.728 -5.684 406 HB3 GLU 53 HB1 GLU 53 -5.912 -10.480 -6.049 407 HG2 GLU 53 HG2 GLU 53 -5.413 -10.679 -8.421 408 HG3 GLU 53 HG1 GLU 53 -4.203 -11.913 -8.072 409 H PHE 54 HN PHE 54 -5.545 -8.000 -5.824 410 HA PHE 54 HA PHE 54 -6.019 -6.983 -8.349 411 HB2 PHE 54 HB2 PHE 54 -7.506 -6.410 -6.566 412 HB3 PHE 54 HB1 PHE 54 -6.191 -5.761 -5.597 413 HD1 PHE 54 HD1 PHE 54 -8.274 -5.164 -8.565 414 HD2 PHE 54 HD2 PHE 54 -5.471 -3.593 -5.819 415 HE1 PHE 54 HE1 PHE 54 -8.652 -2.897 -9.474 416 HE2 PHE 54 HE2 PHE 54 -5.829 -1.339 -6.698 417 HZ PHE 54 HZ PHE 54 -7.372 -0.978 -8.497 418 H LEU 55 HN LEU 55 -3.793 -5.814 -5.869 419 HA LEU 55 HA LEU 55 -2.657 -3.743 -7.289 420 HB2 LEU 55 HB2 LEU 55 -1.513 -5.476 -5.124 421 HB3 LEU 55 HB1 LEU 55 -0.661 -4.084 -5.752 422 HG LEU 55 HG LEU 55 -3.380 -3.957 -4.468 423 HD11 LEU 55 HD11 LEU 55 -2.178 -3.008 -2.553 424 HD12 LEU 55 HD12 LEU 55 -0.643 -3.356 -3.352 425 HD13 LEU 55 HD13 LEU 55 -1.710 -4.675 -2.872 426 HD21 LEU 55 HD21 LEU 55 -2.894 -1.546 -4.381 427 HD22 LEU 55 HD22 LEU 55 -2.963 -2.133 -6.034 428 HD23 LEU 55 HD23 LEU 55 -1.399 -1.821 -5.272 429 H GLY 56 HN GLY 56 -1.695 -7.135 -7.078 430 HA2 GLY 56 HA2 GLY 56 0.653 -7.036 -8.604 431 HA3 GLY 56 HA1 GLY 56 -0.378 -8.452 -8.393 432 H GLU 57 HN GLU 57 -2.720 -7.552 -9.593 433 HA GLU 57 HA GLU 57 -2.241 -7.983 -12.281 434 HB2 GLU 57 HB2 GLU 57 -4.596 -6.885 -10.795 435 HB3 GLU 57 HB1 GLU 57 -4.629 -7.278 -12.510 436 HG2 GLU 57 HG2 GLU 57 -4.073 -9.204 -10.260 437 HG3 GLU 57 HG1 GLU 57 -5.598 -9.062 -11.130 438 H GLN 58 HN GLN 58 -2.649 -5.020 -10.461 439 HA GLN 58 HA GLN 58 -2.736 -3.275 -12.738 440 HB2 GLN 58 HB2 GLN 58 -2.102 -2.648 -9.837 441 HB3 GLN 58 HB1 GLN 58 -2.512 -1.473 -11.080 442 HG2 GLN 58 HG2 GLN 58 -4.341 -3.649 -10.133 443 HG3 GLN 58 HG1 GLN 58 -4.364 -1.981 -9.560 444 HE21 GLN 58 HE21 GLN 58 -6.363 -3.609 -10.968 445 HE22 GLN 58 HE22 GLN 58 -6.820 -2.684 -12.335 446 H GLY 59 HN GLY 59 -0.226 -4.291 -10.503 447 HA2 GLY 59 HA2 GLY 59 1.907 -4.773 -11.849 448 HA3 GLY 59 HA1 GLY 59 1.765 -3.092 -12.337 449 H VAL 60 HN VAL 60 1.394 -4.727 -9.194 450 HA VAL 60 HA VAL 60 3.575 -3.047 -8.100 451 HB VAL 60 HB VAL 60 1.054 -3.786 -6.613 452 HG11 VAL 60 HG11 VAL 60 1.767 -2.126 -5.016 453 HG12 VAL 60 HG12 VAL 60 3.196 -1.789 -5.995 454 HG13 VAL 60 HG13 VAL 60 2.993 -3.374 -5.253 455 HG21 VAL 60 HG21 VAL 60 1.659 -1.150 -7.944 456 HG22 VAL 60 HG22 VAL 60 0.295 -1.455 -6.863 457 HG23 VAL 60 HG23 VAL 60 0.394 -2.283 -8.422 458 H GLU 61 HN GLU 61 5.029 -4.215 -7.041 459 HA GLU 61 HA GLU 61 4.463 -7.008 -6.472 460 HB2 GLU 61 HB2 GLU 61 6.938 -5.338 -6.214 461 HB3 GLU 61 HB1 GLU 61 6.867 -7.039 -5.760 462 HG2 GLU 61 HG2 GLU 61 6.256 -7.561 -8.052 463 HG3 GLU 61 HG1 GLU 61 6.481 -5.868 -8.498 464 H LEU 62 HN LEU 62 3.967 -7.680 -4.461 465 HA LEU 62 HA LEU 62 4.094 -5.680 -2.384 466 HB2 LEU 62 HB2 LEU 62 2.854 -8.420 -2.257 467 HB3 LEU 62 HB1 LEU 62 2.692 -7.153 -1.065 468 HG LEU 62 HG LEU 62 0.715 -6.980 -2.090 469 HD11 LEU 62 HD11 LEU 62 0.571 -5.095 -3.558 470 HD12 LEU 62 HD12 LEU 62 2.298 -5.214 -3.874 471 HD13 LEU 62 HD13 LEU 62 1.732 -4.827 -2.250 472 HD21 LEU 62 HD21 LEU 62 0.977 -8.730 -3.660 473 HD22 LEU 62 HD22 LEU 62 1.911 -7.686 -4.755 474 HD23 LEU 62 HD23 LEU 62 0.203 -7.337 -4.402 475 H ILE 63 HN ILE 63 6.068 -5.573 -1.681 476 HA ILE 63 HA ILE 63 7.604 -7.994 -1.220 477 HB ILE 63 HB ILE 63 9.430 -6.508 -0.497 478 HG12 ILE 63 HG12 ILE 63 7.518 -4.317 -1.281 479 HG13 ILE 63 HG11 ILE 63 8.038 -4.731 0.342 480 HG21 ILE 63 HG21 ILE 63 9.880 -5.566 -2.701 481 HG22 ILE 63 HG22 ILE 63 8.200 -5.885 -3.149 482 HG23 ILE 63 HG23 ILE 63 9.301 -7.238 -2.775 483 HD11 ILE 63 HD11 ILE 63 9.217 -2.775 -0.513 484 HD12 ILE 63 HD12 ILE 63 9.789 -3.748 -1.871 485 HD13 ILE 63 HD13 ILE 63 10.331 -4.121 -0.233 486 H SER 64 HN SER 64 8.909 -8.098 0.821 487 HA SER 64 HA SER 64 6.963 -8.148 2.952 488 HB2 SER 64 HB2 SER 64 8.488 -9.893 1.907 489 HB3 SER 64 HB1 SER 64 9.677 -9.301 3.038 490 HG SER 64 HG SER 64 8.666 -10.248 4.630 491 H GLU 65 HN GLU 65 8.849 -5.739 2.091 492 HA GLU 65 HA GLU 65 9.661 -3.869 3.145 493 HB2 GLU 65 HB2 GLU 65 7.857 -4.500 4.903 494 HB3 GLU 65 HB1 GLU 65 9.166 -5.179 5.845 495 HG2 GLU 65 HG2 GLU 65 8.986 -2.283 5.014 496 HG3 GLU 65 HG1 GLU 65 8.388 -2.912 6.539 497 H ASN 66 HN ASN 66 10.708 -6.888 4.430 498 HA ASN 66 HA ASN 66 13.322 -6.093 5.278 499 HB2 ASN 66 HB2 ASN 66 12.079 -8.001 6.226 500 HB3 ASN 66 HB1 ASN 66 12.131 -8.816 4.675 501 HD21 ASN 66 HD21 ASN 66 13.181 -10.599 5.456 502 HD22 ASN 66 HD22 ASN 66 14.813 -10.577 5.990 503 H GLU 67 HN GLU 67 12.148 -6.065 2.268 504 HA GLU 67 HA GLU 67 14.700 -6.686 1.027 505 HB2 GLU 67 HB2 GLU 67 13.618 -7.877 -0.781 506 HB3 GLU 67 HB1 GLU 67 13.227 -8.667 0.747 507 HG2 GLU 67 HG2 GLU 67 11.096 -7.274 0.692 508 HG3 GLU 67 HG1 GLU 67 11.564 -6.886 -0.963 509 H GLU 68 HN GLU 68 15.014 -5.518 -0.799 510 HA GLU 68 HA GLU 68 13.540 -4.287 -2.575 511 HB2 GLU 68 HB2 GLU 68 13.073 -2.819 -0.210 512 HB3 GLU 68 HB1 GLU 68 14.224 -1.848 -1.122 513 HG2 GLU 68 HG2 GLU 68 11.454 -2.710 -1.948 514 HG3 GLU 68 HG1 GLU 68 12.039 -1.067 -1.706 515 H THR 69 HN THR 69 14.894 -2.225 -3.511 516 HA THR 69 HA THR 69 17.648 -2.544 -2.722 517 HB THR 69 HB THR 69 18.309 -2.057 -5.137 518 HG1 THR 69 HG1 THR 69 15.658 -2.924 -5.726 519 HG21 THR 69 HG21 THR 69 16.824 -4.641 -4.619 520 HG22 THR 69 HG22 THR 69 18.498 -4.326 -4.180 521 HG23 THR 69 HG23 THR 69 18.029 -4.389 -5.880 522 H GLU 70 HN GLU 70 15.165 -0.474 -3.154 523 HA GLU 70 HA GLU 70 16.751 1.864 -3.596 524 HB2 GLU 70 HB2 GLU 70 14.700 3.132 -2.924 525 HB3 GLU 70 HB1 GLU 70 14.509 2.052 -4.289 526 HG2 GLU 70 HG2 GLU 70 13.635 0.366 -2.718 527 HG3 GLU 70 HG1 GLU 70 13.596 1.609 -1.477 528 H ASP 71 HN ASP 71 16.276 0.014 -0.904 529 HA ASP 71 HA ASP 71 16.998 2.139 0.925 530 HB2 ASP 71 HB2 ASP 71 15.515 0.309 1.580 531 HB3 ASP 71 HB1 ASP 71 16.815 -0.849 1.376 532 H LEU 72 HN LEU 72 18.461 0.262 -1.222 533 HA LEU 72 HA LEU 72 21.121 0.259 0.028 534 HB2 LEU 72 HB2 LEU 72 20.197 -0.827 -2.636 535 HB3 LEU 72 HB1 LEU 72 21.849 -0.900 -2.062 536 HG LEU 72 HG LEU 72 19.522 -2.255 -0.696 537 HD11 LEU 72 HD11 LEU 72 21.628 -3.390 -2.535 538 HD12 LEU 72 HD12 LEU 72 19.922 -3.179 -2.923 539 HD13 LEU 72 HD13 LEU 72 20.407 -4.313 -1.656 540 HD21 LEU 72 HD21 LEU 72 22.506 -2.516 -0.360 541 HD22 LEU 72 HD22 LEU 72 21.296 -3.482 0.483 542 HD23 LEU 72 HD23 LEU 72 21.407 -1.747 0.783 543 H GLU 73 HN GLU 73 19.207 1.765 -2.429 544 HA GLU 73 HA GLU 73 21.175 3.325 -3.684 545 HB2 GLU 73 HB2 GLU 73 18.250 3.958 -3.194 546 HB3 GLU 73 HB1 GLU 73 19.285 4.764 -4.352 547 HG2 GLU 73 HG2 GLU 73 18.622 1.832 -4.440 548 HG3 GLU 73 HG1 GLU 73 17.762 3.075 -5.352 549 H HIS 74 HN HIS 74 18.740 4.338 -1.269 550 HA HIS 74 HA HIS 74 20.647 5.535 0.423 551 HB2 HIS 74 HB2 HIS 74 20.349 7.251 -1.502 552 HB3 HIS 74 HB1 HIS 74 18.697 7.432 -0.934 553 HD1 HIS 74 HD1 HIS 74 22.191 8.500 -0.240 554 HD2 HIS 74 HD2 HIS 74 18.486 8.700 1.640 555 HE1 HIS 74 HE1 HIS 74 22.409 10.230 1.572 556 H HIS 75 HN HIS 75 19.657 5.608 2.462 557 HA HIS 75 HA HIS 75 16.956 4.487 2.425 558 HB2 HIS 75 HB2 HIS 75 17.318 3.588 4.601 559 HB3 HIS 75 HB1 HIS 75 18.797 3.299 3.702 560 HD1 HIS 75 HD1 HIS 75 17.938 3.981 6.976 561 HD2 HIS 75 HD2 HIS 75 20.588 5.838 4.377 562 HE1 HIS 75 HE1 HIS 75 19.563 5.213 8.414 563 H HIS 76 HN HIS 76 15.720 5.068 4.653 564 HA HIS 76 HA HIS 76 15.932 7.782 5.402 565 HB2 HIS 76 HB2 HIS 76 13.649 8.449 4.784 566 HB3 HIS 76 HB1 HIS 76 14.525 7.986 3.338 567 HD1 HIS 76 HD1 HIS 76 11.512 7.099 5.386 568 HD2 HIS 76 HD2 HIS 76 13.593 5.600 2.103 569 HE1 HIS 76 HE1 HIS 76 9.994 5.452 4.309 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -20.844 9.720 -5.145 2 H2 ALA 1 HT2 ALA 1 -21.163 8.094 -5.500 3 H3 ALA 1 HT3 ALA 1 -20.153 9.021 -6.506 4 HA ALA 1 HA ALA 1 -19.565 8.414 -3.711 5 HB1 ALA 1 HB1 ALA 1 -19.451 6.378 -5.063 6 HB2 ALA 1 HB2 ALA 1 -17.831 6.912 -4.602 7 HB3 ALA 1 HB3 ALA 1 -18.424 7.205 -6.233 8 H ASP 2 HN ASP 2 -18.178 9.835 -2.933 9 HA ASP 2 HA ASP 2 -16.808 11.613 -4.798 10 HB2 ASP 2 HB2 ASP 2 -17.648 11.942 -1.937 11 HB3 ASP 2 HB1 ASP 2 -16.393 12.959 -2.630 12 H LYS 3 HN LYS 3 -14.689 12.366 -4.136 13 HA LYS 3 HA LYS 3 -13.099 10.087 -3.409 14 HB2 LYS 3 HB2 LYS 3 -12.286 12.854 -4.294 15 HB3 LYS 3 HB1 LYS 3 -11.163 11.558 -3.916 16 HG2 LYS 3 HG2 LYS 3 -13.210 11.539 -6.119 17 HG3 LYS 3 HG1 LYS 3 -11.476 11.780 -6.321 18 HD2 LYS 3 HD2 LYS 3 -11.093 9.522 -5.374 19 HD3 LYS 3 HD1 LYS 3 -12.840 9.302 -5.271 20 HE2 LYS 3 HE2 LYS 3 -12.995 9.603 -7.707 21 HE3 LYS 3 HE1 LYS 3 -11.242 9.748 -7.784 22 HZ1 LYS 3 HZ1 LYS 3 -12.801 7.395 -6.917 23 HZ2 LYS 3 HZ2 LYS 3 -11.146 7.474 -6.778 24 HZ3 LYS 3 HZ3 LYS 3 -11.876 7.515 -8.318 25 H GLN 4 HN GLN 4 -13.508 9.762 -1.433 26 HA GLN 4 HA GLN 4 -13.215 9.654 0.773 27 HB2 GLN 4 HB2 GLN 4 -11.237 10.497 1.838 28 HB3 GLN 4 HB1 GLN 4 -10.772 9.965 0.240 29 HG2 GLN 4 HG2 GLN 4 -10.692 12.268 -0.518 30 HG3 GLN 4 HG1 GLN 4 -11.246 12.821 1.059 31 HE21 GLN 4 HE21 GLN 4 -9.845 12.741 2.808 32 HE22 GLN 4 HE22 GLN 4 -8.138 12.515 2.588 33 H THR 5 HN THR 5 -13.099 10.814 2.869 34 HA THR 5 HA THR 5 -14.969 12.934 2.958 35 HB THR 5 HB THR 5 -14.256 12.604 5.449 36 HG1 THR 5 HG1 THR 5 -12.299 11.428 4.954 37 HG21 THR 5 HG21 THR 5 -15.518 10.357 3.858 38 HG22 THR 5 HG22 THR 5 -16.372 11.747 4.524 39 HG23 THR 5 HG23 THR 5 -15.646 10.551 5.602 40 H HIS 6 HN HIS 6 -14.312 15.049 3.715 41 HA HIS 6 HA HIS 6 -11.694 15.689 2.725 42 HB2 HIS 6 HB2 HIS 6 -13.802 17.541 3.863 43 HB3 HIS 6 HB1 HIS 6 -12.338 18.046 3.021 44 HD1 HIS 6 HD1 HIS 6 -12.232 17.113 0.381 45 HD2 HIS 6 HD2 HIS 6 -15.931 17.173 2.277 46 HE1 HIS 6 HE1 HIS 6 -13.952 16.897 -1.434 47 H GLU 7 HN GLU 7 -12.899 14.819 5.629 48 HA GLU 7 HA GLU 7 -11.166 16.194 7.385 49 HB2 GLU 7 HB2 GLU 7 -12.377 13.453 7.793 50 HB3 GLU 7 HB1 GLU 7 -11.721 14.502 9.034 51 HG2 GLU 7 HG2 GLU 7 -13.974 14.773 9.300 52 HG3 GLU 7 HG1 GLU 7 -13.561 16.139 8.272 53 H THR 8 HN THR 8 -9.632 14.603 8.794 54 HA THR 8 HA THR 8 -7.728 13.725 6.826 55 HB THR 8 HB THR 8 -7.377 13.835 9.830 56 HG1 THR 8 HG1 THR 8 -7.954 15.790 8.286 57 HG21 THR 8 HG21 THR 8 -5.652 12.548 8.579 58 HG22 THR 8 HG22 THR 8 -4.985 14.038 9.250 59 HG23 THR 8 HG23 THR 8 -5.385 13.945 7.536 60 H GLU 9 HN GLU 9 -9.405 12.067 6.339 61 HA GLU 9 HA GLU 9 -8.413 9.543 7.073 62 HB2 GLU 9 HB2 GLU 9 -10.445 8.585 7.991 63 HB3 GLU 9 HB1 GLU 9 -9.980 9.967 8.972 64 HG2 GLU 9 HG2 GLU 9 -11.671 11.332 7.837 65 HG3 GLU 9 HG1 GLU 9 -12.155 9.927 6.892 66 H LEU 10 HN LEU 10 -9.416 7.929 5.652 67 HA LEU 10 HA LEU 10 -10.817 9.141 3.394 68 HB2 LEU 10 HB2 LEU 10 -8.891 6.895 2.976 69 HB3 LEU 10 HB1 LEU 10 -9.448 8.111 1.857 70 HG LEU 10 HG LEU 10 -8.010 9.738 3.276 71 HD11 LEU 10 HD11 LEU 10 -6.036 8.680 4.283 72 HD12 LEU 10 HD12 LEU 10 -6.771 7.097 3.946 73 HD13 LEU 10 HD13 LEU 10 -7.547 8.193 5.079 74 HD21 LEU 10 HD21 LEU 10 -7.583 9.119 0.965 75 HD22 LEU 10 HD22 LEU 10 -6.765 7.647 1.539 76 HD23 LEU 10 HD23 LEU 10 -6.085 9.229 1.904 77 H THR 11 HN THR 11 -11.493 7.021 1.966 78 HA THR 11 HA THR 11 -12.825 5.272 3.879 79 HB THR 11 HB THR 11 -14.494 4.880 2.188 80 HG1 THR 11 HG1 THR 11 -14.069 5.463 -0.015 81 HG21 THR 11 HG21 THR 11 -14.552 7.262 2.981 82 HG22 THR 11 HG22 THR 11 -15.156 7.058 1.325 83 HG23 THR 11 HG23 THR 11 -13.533 7.669 1.589 84 H PHE 12 HN PHE 12 -13.139 3.008 2.864 85 HA PHE 12 HA PHE 12 -10.558 1.871 2.741 86 HB2 PHE 12 HB2 PHE 12 -12.398 0.556 3.609 87 HB3 PHE 12 HB1 PHE 12 -13.253 0.667 2.074 88 HD1 PHE 12 HD1 PHE 12 -9.923 -0.419 3.317 89 HD2 PHE 12 HD2 PHE 12 -13.210 -1.194 0.748 90 HE1 PHE 12 HE1 PHE 12 -8.850 -2.491 2.580 91 HE2 PHE 12 HE2 PHE 12 -12.138 -3.274 0.004 92 HZ PHE 12 HZ PHE 12 -9.929 -3.925 0.948 93 H ASP 13 HN ASP 13 -12.954 2.567 0.432 94 HA ASP 13 HA ASP 13 -11.651 1.689 -1.893 95 HB2 ASP 13 HB2 ASP 13 -13.740 3.835 -1.548 96 HB3 ASP 13 HB1 ASP 13 -13.136 3.304 -3.112 97 H GLN 14 HN GLN 14 -11.390 4.584 -0.125 98 HA GLN 14 HA GLN 14 -9.878 5.977 -2.156 99 HB2 GLN 14 HB2 GLN 14 -10.277 6.671 0.734 100 HB3 GLN 14 HB1 GLN 14 -9.504 7.721 -0.434 101 HG2 GLN 14 HG2 GLN 14 -12.345 6.742 -0.546 102 HG3 GLN 14 HG1 GLN 14 -11.840 8.359 -0.088 103 HE21 GLN 14 HE21 GLN 14 -9.797 8.472 -2.165 104 HE22 GLN 14 HE22 GLN 14 -10.642 8.636 -3.656 105 H VAL 15 HN VAL 15 -9.214 4.156 0.687 106 HA VAL 15 HA VAL 15 -6.468 4.862 0.749 107 HB VAL 15 HB VAL 15 -8.049 2.769 2.268 108 HG11 VAL 15 HG11 VAL 15 -5.866 2.322 3.480 109 HG12 VAL 15 HG12 VAL 15 -5.081 3.389 2.279 110 HG13 VAL 15 HG13 VAL 15 -5.783 1.881 1.764 111 HG21 VAL 15 HG21 VAL 15 -6.482 5.202 3.104 112 HG22 VAL 15 HG22 VAL 15 -7.292 4.091 4.197 113 HG23 VAL 15 HG23 VAL 15 -8.247 5.044 3.055 114 H LYS 16 HN LYS 16 -8.400 2.134 -0.506 115 HA LYS 16 HA LYS 16 -6.351 0.716 -1.462 116 HB2 LYS 16 HB2 LYS 16 -9.157 1.189 -2.271 117 HB3 LYS 16 HB1 LYS 16 -8.137 0.252 -3.327 118 HG2 LYS 16 HG2 LYS 16 -7.649 -1.152 -1.177 119 HG3 LYS 16 HG1 LYS 16 -9.074 -0.343 -0.530 120 HD2 LYS 16 HD2 LYS 16 -8.981 -2.030 -3.039 121 HD3 LYS 16 HD1 LYS 16 -9.602 -2.547 -1.479 122 HE2 LYS 16 HE2 LYS 16 -11.360 -0.890 -1.594 123 HE3 LYS 16 HE1 LYS 16 -10.697 -0.263 -3.103 124 HZ1 LYS 16 HZ1 LYS 16 -11.133 -2.435 -4.117 125 HZ2 LYS 16 HZ2 LYS 16 -12.537 -1.709 -3.563 126 HZ3 LYS 16 HZ3 LYS 16 -11.860 -2.982 -2.697 127 H GLU 17 HN GLU 17 -7.984 3.531 -2.886 128 HA GLU 17 HA GLU 17 -6.441 3.507 -5.197 129 HB2 GLU 17 HB2 GLU 17 -7.874 5.762 -3.846 130 HB3 GLU 17 HB1 GLU 17 -6.961 5.996 -5.322 131 HG2 GLU 17 HG2 GLU 17 -8.408 4.165 -6.314 132 HG3 GLU 17 HG1 GLU 17 -9.425 4.354 -4.883 133 H GLN 18 HN GLN 18 -5.593 4.755 -1.973 134 HA GLN 18 HA GLN 18 -3.564 6.355 -3.005 135 HB2 GLN 18 HB2 GLN 18 -2.950 6.920 -0.749 136 HB3 GLN 18 HB1 GLN 18 -4.681 6.597 -0.787 137 HG2 GLN 18 HG2 GLN 18 -4.450 4.553 0.264 138 HG3 GLN 18 HG1 GLN 18 -2.697 4.601 0.112 139 HE21 GLN 18 HE21 GLN 18 -4.453 7.491 0.956 140 HE22 GLN 18 HE22 GLN 18 -3.913 7.537 2.591 141 H LEU 19 HN LEU 19 -3.653 3.307 -1.598 142 HA LEU 19 HA LEU 19 -0.942 2.692 -1.720 143 HB2 LEU 19 HB2 LEU 19 -3.464 1.216 -1.530 144 HB3 LEU 19 HB1 LEU 19 -1.951 0.374 -1.637 145 HG LEU 19 HG LEU 19 -2.785 2.351 0.524 146 HD11 LEU 19 HD11 LEU 19 -2.430 -0.602 0.676 147 HD12 LEU 19 HD12 LEU 19 -3.964 0.253 0.587 148 HD13 LEU 19 HD13 LEU 19 -2.917 0.466 2.001 149 HD21 LEU 19 HD21 LEU 19 -0.279 0.676 0.314 150 HD22 LEU 19 HD22 LEU 19 -0.760 1.612 1.721 151 HD23 LEU 19 HD23 LEU 19 -0.364 2.436 0.216 152 H THR 20 HN THR 20 -3.635 2.110 -3.892 153 HA THR 20 HA THR 20 -2.324 0.583 -5.791 154 HB THR 20 HB THR 20 -4.621 2.503 -5.917 155 HG1 THR 20 HG1 THR 20 -4.363 0.055 -5.128 156 HG21 THR 20 HG21 THR 20 -5.171 1.630 -8.171 157 HG22 THR 20 HG22 THR 20 -3.595 0.804 -8.221 158 HG23 THR 20 HG23 THR 20 -3.685 2.572 -8.116 159 H GLU 21 HN GLU 21 -2.726 4.116 -5.581 160 HA GLU 21 HA GLU 21 -1.509 4.743 -8.008 161 HB2 GLU 21 HB2 GLU 21 -3.047 6.072 -6.727 162 HB3 GLU 21 HB1 GLU 21 -1.873 6.272 -5.436 163 HG2 GLU 21 HG2 GLU 21 -1.999 8.283 -6.762 164 HG3 GLU 21 HG1 GLU 21 -0.430 7.517 -7.002 165 H SER 22 HN SER 22 -0.373 4.554 -4.780 166 HA SER 22 HA SER 22 2.270 5.500 -5.193 167 HB2 SER 22 HB2 SER 22 1.246 3.735 -2.967 168 HB3 SER 22 HB1 SER 22 2.737 4.683 -2.930 169 HG SER 22 HG SER 22 0.064 5.510 -2.816 170 H GLY 23 HN GLY 23 0.975 2.252 -4.918 171 HA2 GLY 23 HA2 GLY 23 3.403 0.814 -5.241 172 HA3 GLY 23 HA1 GLY 23 1.797 0.176 -5.563 173 H LYS 24 HN LYS 24 1.112 2.123 -7.529 174 HA LYS 24 HA LYS 24 2.113 0.882 -9.807 175 HB2 LYS 24 HB2 LYS 24 0.598 3.415 -9.378 176 HB3 LYS 24 HB1 LYS 24 0.986 2.779 -10.978 177 HG2 LYS 24 HG2 LYS 24 -0.286 1.087 -8.921 178 HG3 LYS 24 HG1 LYS 24 -1.307 2.177 -9.821 179 HD2 LYS 24 HD2 LYS 24 0.558 0.048 -11.005 180 HD3 LYS 24 HD1 LYS 24 -1.165 -0.184 -10.735 181 HE2 LYS 24 HE2 LYS 24 -1.705 1.524 -12.262 182 HE3 LYS 24 HE1 LYS 24 -0.016 1.976 -12.491 183 HZ1 LYS 24 HZ1 LYS 24 -1.252 -0.618 -13.342 184 HZ2 LYS 24 HZ2 LYS 24 0.355 -0.169 -13.598 185 HZ3 LYS 24 HZ3 LYS 24 -0.874 0.667 -14.332 186 H LYS 25 HN LYS 25 3.138 3.777 -8.161 187 HA LYS 25 HA LYS 25 4.829 4.694 -10.276 188 HB2 LYS 25 HB2 LYS 25 4.630 5.437 -7.380 189 HB3 LYS 25 HB1 LYS 25 5.566 6.327 -8.583 190 HG2 LYS 25 HG2 LYS 25 3.535 6.786 -9.814 191 HG3 LYS 25 HG1 LYS 25 2.610 5.856 -8.637 192 HD2 LYS 25 HD2 LYS 25 3.309 7.428 -6.896 193 HD3 LYS 25 HD1 LYS 25 4.128 8.404 -8.130 194 HE2 LYS 25 HE2 LYS 25 2.010 8.545 -9.346 195 HE3 LYS 25 HE1 LYS 25 1.263 7.640 -8.030 196 HZ1 LYS 25 HZ1 LYS 25 2.508 10.341 -7.768 197 HZ2 LYS 25 HZ2 LYS 25 1.796 9.477 -6.523 198 HZ3 LYS 25 HZ3 LYS 25 0.857 10.024 -7.789 199 H ARG 26 HN ARG 26 5.127 3.013 -7.326 200 HA ARG 26 HA ARG 26 8.032 3.000 -7.305 201 HB2 ARG 26 HB2 ARG 26 6.189 1.209 -5.744 202 HB3 ARG 26 HB1 ARG 26 7.894 1.452 -5.455 203 HG2 ARG 26 HG2 ARG 26 7.446 3.746 -4.771 204 HG3 ARG 26 HG1 ARG 26 5.713 3.495 -5.069 205 HD2 ARG 26 HD2 ARG 26 5.843 1.538 -3.546 206 HD3 ARG 26 HD1 ARG 26 7.475 2.040 -3.118 207 HE ARG 26 HE ARG 26 5.862 4.201 -2.647 208 HH11 ARG 26 HH11 ARG 26 6.292 0.899 -1.513 209 HH12 ARG 26 HH12 ARG 26 5.465 1.098 -0.038 210 HH21 ARG 26 HH21 ARG 26 4.669 4.511 -0.518 211 HH22 ARG 26 HH22 ARG 26 4.525 3.119 0.475 212 H GLY 27 HN GLY 27 5.469 0.683 -7.900 213 HA2 GLY 27 HA2 GLY 27 5.493 -1.043 -9.433 214 HA3 GLY 27 HA1 GLY 27 7.258 -1.121 -9.339 215 H VAL 28 HN VAL 28 5.893 -0.557 -6.335 216 HA VAL 28 HA VAL 28 5.556 -3.283 -5.526 217 HB VAL 28 HB VAL 28 7.984 -2.961 -5.990 218 HG11 VAL 28 HG11 VAL 28 7.899 -1.197 -3.578 219 HG12 VAL 28 HG12 VAL 28 8.327 -0.740 -5.228 220 HG13 VAL 28 HG13 VAL 28 9.375 -1.837 -4.317 221 HG21 VAL 28 HG21 VAL 28 7.109 -3.697 -3.273 222 HG22 VAL 28 HG22 VAL 28 8.712 -4.085 -3.948 223 HG23 VAL 28 HG23 VAL 28 7.232 -4.738 -4.690 224 H LEU 29 HN LEU 29 5.030 -3.466 -3.364 225 HA LEU 29 HA LEU 29 4.866 -1.093 -1.731 226 HB2 LEU 29 HB2 LEU 29 2.570 -2.804 -2.577 227 HB3 LEU 29 HB1 LEU 29 2.512 -1.995 -1.039 228 HG LEU 29 HG LEU 29 2.737 -0.642 -3.729 229 HD11 LEU 29 HD11 LEU 29 0.409 0.001 -3.312 230 HD12 LEU 29 HD12 LEU 29 0.408 -0.965 -1.839 231 HD13 LEU 29 HD13 LEU 29 0.591 -1.747 -3.413 232 HD21 LEU 29 HD21 LEU 29 3.732 0.674 -1.951 233 HD22 LEU 29 HD22 LEU 29 2.293 0.452 -0.961 234 HD23 LEU 29 HD23 LEU 29 2.199 1.384 -2.464 235 H THR 30 HN THR 30 5.198 -1.675 0.478 236 HA THR 30 HA THR 30 5.841 -4.397 1.057 237 HB THR 30 HB THR 30 6.095 -3.682 3.403 238 HG1 THR 30 HG1 THR 30 5.376 -1.119 2.433 239 HG21 THR 30 HG21 THR 30 7.928 -2.141 3.133 240 HG22 THR 30 HG22 THR 30 7.472 -1.889 1.425 241 HG23 THR 30 HG23 THR 30 7.991 -3.488 1.999 242 H TYR 31 HN TYR 31 4.754 -5.871 2.108 243 HA TYR 31 HA TYR 31 2.021 -6.119 2.126 244 HB2 TYR 31 HB2 TYR 31 4.040 -7.425 3.938 245 HB3 TYR 31 HB1 TYR 31 2.341 -7.843 3.965 246 HD1 TYR 31 HD1 TYR 31 5.446 -8.929 2.791 247 HD2 TYR 31 HD2 TYR 31 1.442 -8.315 1.409 248 HE1 TYR 31 HE1 TYR 31 5.792 -10.571 1.054 249 HE2 TYR 31 HE2 TYR 31 1.819 -9.979 -0.352 250 HH TYR 31 HH TYR 31 4.422 -12.093 -0.297 251 H GLU 32 HN GLU 32 4.002 -4.693 4.695 252 HA GLU 32 HA GLU 32 1.686 -4.695 6.392 253 HB2 GLU 32 HB2 GLU 32 3.922 -5.292 7.320 254 HB3 GLU 32 HB1 GLU 32 4.401 -3.610 7.119 255 HG2 GLU 32 HG2 GLU 32 2.633 -2.902 8.633 256 HG3 GLU 32 HG1 GLU 32 2.091 -4.564 8.802 257 H GLU 33 HN GLU 33 3.246 -2.302 4.301 258 HA GLU 33 HA GLU 33 2.099 -0.148 5.818 259 HB2 GLU 33 HB2 GLU 33 2.844 1.338 4.094 260 HB3 GLU 33 HB1 GLU 33 4.102 0.130 4.268 261 HG2 GLU 33 HG2 GLU 33 3.097 -1.051 2.298 262 HG3 GLU 33 HG1 GLU 33 2.056 0.360 2.095 263 H ILE 34 HN ILE 34 1.227 -2.205 3.205 264 HA ILE 34 HA ILE 34 -1.130 -0.981 2.377 265 HB ILE 34 HB ILE 34 -0.380 -3.922 2.436 266 HG12 ILE 34 HG12 ILE 34 -0.226 -1.902 0.195 267 HG13 ILE 34 HG11 ILE 34 1.143 -2.446 1.155 268 HG21 ILE 34 HG21 ILE 34 -2.562 -2.514 0.903 269 HG22 ILE 34 HG22 ILE 34 -2.787 -3.656 2.224 270 HG23 ILE 34 HG23 ILE 34 -2.096 -4.201 0.692 271 HD11 ILE 34 HD11 ILE 34 -0.556 -4.166 -0.629 272 HD12 ILE 34 HD12 ILE 34 0.836 -4.708 0.318 273 HD13 ILE 34 HD13 ILE 34 1.052 -3.545 -0.990 274 H ALA 35 HN ALA 35 -0.384 -3.275 4.971 275 HA ALA 35 HA ALA 35 -3.011 -3.793 5.741 276 HB1 ALA 35 HB1 ALA 35 -1.196 -5.338 6.198 277 HB2 ALA 35 HB2 ALA 35 -1.981 -4.846 7.697 278 HB3 ALA 35 HB3 ALA 35 -0.424 -4.147 7.244 279 H GLU 36 HN GLU 36 -0.481 -1.569 6.714 280 HA GLU 36 HA GLU 36 -1.504 -0.700 9.132 281 HB2 GLU 36 HB2 GLU 36 0.792 -0.248 8.342 282 HB3 GLU 36 HB1 GLU 36 0.136 0.941 7.219 283 HG2 GLU 36 HG2 GLU 36 -0.945 2.008 9.267 284 HG3 GLU 36 HG1 GLU 36 0.167 1.018 10.206 285 H ARG 37 HN ARG 37 -1.919 0.815 5.854 286 HA ARG 37 HA ARG 37 -3.467 2.929 6.739 287 HB2 ARG 37 HB2 ARG 37 -3.734 1.516 4.097 288 HB3 ARG 37 HB1 ARG 37 -4.049 3.198 4.452 289 HG2 ARG 37 HG2 ARG 37 -1.340 1.886 4.364 290 HG3 ARG 37 HG1 ARG 37 -2.054 2.874 3.102 291 HD2 ARG 37 HD2 ARG 37 -2.103 4.763 4.692 292 HD3 ARG 37 HD1 ARG 37 -1.215 3.767 5.860 293 HE ARG 37 HE ARG 37 -0.286 4.646 3.211 294 HH11 ARG 37 HH11 ARG 37 0.641 3.671 6.555 295 HH12 ARG 37 HH12 ARG 37 2.282 3.708 6.227 296 HH21 ARG 37 HH21 ARG 37 2.059 4.698 2.836 297 HH22 ARG 37 HH22 ARG 37 3.124 4.313 4.075 298 H MET 38 HN MET 38 -4.169 -0.405 5.927 299 HA MET 38 HA MET 38 -7.004 0.002 5.845 300 HB2 MET 38 HB2 MET 38 -5.473 -2.598 5.844 301 HB3 MET 38 HB1 MET 38 -7.181 -2.392 5.532 302 HG2 MET 38 HG2 MET 38 -4.948 -1.295 3.881 303 HG3 MET 38 HG1 MET 38 -5.975 -2.682 3.484 304 HE1 MET 38 HE1 MET 38 -7.127 -0.083 0.880 305 HE2 MET 38 HE2 MET 38 -6.679 -1.765 1.165 306 HE3 MET 38 HE3 MET 38 -5.508 -0.482 1.456 307 H SER 39 HN SER 39 -4.818 -0.249 8.304 308 HA SER 39 HA SER 39 -6.410 -1.830 10.086 309 HB2 SER 39 HB2 SER 39 -4.057 -0.015 10.678 310 HB3 SER 39 HB1 SER 39 -4.768 -1.185 11.795 311 HG SER 39 HG SER 39 -3.851 -2.001 9.252 312 H SER 40 HN SER 40 -6.656 1.268 8.879 313 HA SER 40 HA SER 40 -7.915 2.573 11.073 314 HB2 SER 40 HB2 SER 40 -8.433 2.998 8.126 315 HB3 SER 40 HB1 SER 40 -8.537 4.193 9.420 316 HG SER 40 HG SER 40 -6.388 3.393 7.952 317 H PHE 41 HN PHE 41 -8.744 0.349 8.565 318 HA PHE 41 HA PHE 41 -11.584 0.259 9.268 319 HB2 PHE 41 HB2 PHE 41 -10.129 -1.072 6.987 320 HB3 PHE 41 HB1 PHE 41 -11.863 -0.813 7.085 321 HD1 PHE 41 HD1 PHE 41 -8.918 0.256 5.684 322 HD2 PHE 41 HD2 PHE 41 -12.488 1.792 7.384 323 HE1 PHE 41 HE1 PHE 41 -8.513 2.387 4.564 324 HE2 PHE 41 HE2 PHE 41 -12.104 3.941 6.252 325 HZ PHE 41 HZ PHE 41 -10.098 4.233 4.843 326 H GLU 42 HN GLU 42 -12.037 -2.390 8.526 327 HA GLU 42 HA GLU 42 -10.409 -3.867 10.479 328 HB2 GLU 42 HB2 GLU 42 -13.274 -4.409 9.697 329 HB3 GLU 42 HB1 GLU 42 -12.379 -5.141 11.015 330 HG2 GLU 42 HG2 GLU 42 -12.371 -3.112 12.253 331 HG3 GLU 42 HG1 GLU 42 -13.013 -2.215 10.877 332 H ILE 43 HN ILE 43 -9.137 -4.034 8.334 333 HA ILE 43 HA ILE 43 -10.351 -5.975 6.515 334 HB ILE 43 HB ILE 43 -7.823 -4.407 6.075 335 HG12 ILE 43 HG12 ILE 43 -9.753 -2.914 6.355 336 HG13 ILE 43 HG11 ILE 43 -9.144 -2.878 4.702 337 HG21 ILE 43 HG21 ILE 43 -8.022 -6.423 4.739 338 HG22 ILE 43 HG22 ILE 43 -8.141 -4.957 3.749 339 HG23 ILE 43 HG23 ILE 43 -9.596 -5.861 4.156 340 HD11 ILE 43 HD11 ILE 43 -11.561 -2.905 4.706 341 HD12 ILE 43 HD12 ILE 43 -11.554 -4.372 5.702 342 HD13 ILE 43 HD13 ILE 43 -10.910 -4.417 4.054 343 H GLU 44 HN GLU 44 -9.913 -7.877 6.860 344 HA GLU 44 HA GLU 44 -7.762 -8.864 8.464 345 HB2 GLU 44 HB2 GLU 44 -9.789 -10.253 6.739 346 HB3 GLU 44 HB1 GLU 44 -8.697 -11.053 7.857 347 HG2 GLU 44 HG2 GLU 44 -10.704 -8.991 8.617 348 HG3 GLU 44 HG1 GLU 44 -10.999 -10.720 8.705 349 H SER 45 HN SER 45 -6.413 -10.654 7.634 350 HA SER 45 HA SER 45 -4.812 -9.935 5.462 351 HB2 SER 45 HB2 SER 45 -4.084 -11.328 7.401 352 HB3 SER 45 HB1 SER 45 -5.093 -12.645 6.806 353 HG SER 45 HG SER 45 -3.447 -13.187 5.665 354 H ASP 46 HN ASP 46 -7.611 -11.998 5.785 355 HA ASP 46 HA ASP 46 -7.673 -13.500 3.455 356 HB2 ASP 46 HB2 ASP 46 -10.032 -12.177 4.805 357 HB3 ASP 46 HB1 ASP 46 -10.036 -13.668 3.878 358 H GLN 47 HN GLN 47 -8.887 -10.330 4.228 359 HA GLN 47 HA GLN 47 -10.062 -9.798 1.676 360 HB2 GLN 47 HB2 GLN 47 -9.477 -7.956 3.963 361 HB3 GLN 47 HB1 GLN 47 -10.601 -7.656 2.636 362 HG2 GLN 47 HG2 GLN 47 -11.950 -9.553 3.377 363 HG3 GLN 47 HG1 GLN 47 -10.814 -9.832 4.686 364 HE21 GLN 47 HE21 GLN 47 -13.296 -7.767 3.481 365 HE22 GLN 47 HE22 GLN 47 -13.527 -6.901 4.954 366 H MET 48 HN MET 48 -7.146 -8.884 3.447 367 HA MET 48 HA MET 48 -6.164 -7.016 1.669 368 HB2 MET 48 HB2 MET 48 -4.703 -8.861 3.542 369 HB3 MET 48 HB1 MET 48 -3.840 -7.724 2.528 370 HG2 MET 48 HG2 MET 48 -5.993 -6.806 4.409 371 HG3 MET 48 HG1 MET 48 -4.337 -7.118 4.936 372 HE1 MET 48 HE1 MET 48 -6.552 -4.952 2.407 373 HE2 MET 48 HE2 MET 48 -5.205 -5.415 1.340 374 HE3 MET 48 HE3 MET 48 -5.372 -3.762 1.873 375 H ASP 49 HN ASP 49 -5.892 -10.495 1.679 376 HA ASP 49 HA ASP 49 -4.083 -10.944 -0.410 377 HB2 ASP 49 HB2 ASP 49 -4.846 -12.771 0.933 378 HB3 ASP 49 HB1 ASP 49 -6.513 -12.492 0.456 379 H GLU 50 HN GLU 50 -7.519 -10.346 -0.531 380 HA GLU 50 HA GLU 50 -7.829 -10.763 -3.273 381 HB2 GLU 50 HB2 GLU 50 -9.431 -9.014 -1.414 382 HB3 GLU 50 HB1 GLU 50 -9.966 -9.620 -2.979 383 HG2 GLU 50 HG2 GLU 50 -9.836 -11.909 -2.145 384 HG3 GLU 50 HG1 GLU 50 -9.279 -11.312 -0.585 385 H TYR 51 HN TYR 51 -7.056 -7.945 -1.327 386 HA TYR 51 HA TYR 51 -7.014 -6.131 -3.516 387 HB2 TYR 51 HB2 TYR 51 -7.353 -5.360 -1.217 388 HB3 TYR 51 HB1 TYR 51 -5.729 -5.871 -0.794 389 HD1 TYR 51 HD1 TYR 51 -7.061 -3.862 -3.749 390 HD2 TYR 51 HD2 TYR 51 -4.434 -4.022 -0.364 391 HE1 TYR 51 HE1 TYR 51 -6.166 -1.699 -4.328 392 HE2 TYR 51 HE2 TYR 51 -3.540 -1.826 -0.995 393 HH TYR 51 HH TYR 51 -4.986 0.192 -3.232 394 H TYR 52 HN TYR 52 -4.652 -8.244 -2.035 395 HA TYR 52 HA TYR 52 -2.366 -7.163 -3.242 396 HB2 TYR 52 HB2 TYR 52 -2.861 -10.010 -2.341 397 HB3 TYR 52 HB1 TYR 52 -1.302 -9.413 -2.887 398 HD1 TYR 52 HD1 TYR 52 -1.529 -6.652 -1.501 399 HD2 TYR 52 HD2 TYR 52 -2.206 -10.624 -0.132 400 HE1 TYR 52 HE1 TYR 52 -1.013 -5.960 0.771 401 HE2 TYR 52 HE2 TYR 52 -1.702 -9.900 2.166 402 HH TYR 52 HH TYR 52 -0.485 -8.199 3.269 403 H GLU 53 HN GLU 53 -4.632 -9.652 -4.291 404 HA GLU 53 HA GLU 53 -3.407 -10.292 -6.691 405 HB2 GLU 53 HB2 GLU 53 -5.361 -11.467 -5.634 406 HB3 GLU 53 HB1 GLU 53 -6.375 -10.141 -6.192 407 HG2 GLU 53 HG2 GLU 53 -6.568 -11.934 -7.757 408 HG3 GLU 53 HG1 GLU 53 -5.640 -10.636 -8.508 409 H PHE 54 HN PHE 54 -5.798 -7.867 -5.893 410 HA PHE 54 HA PHE 54 -6.246 -6.787 -8.417 411 HB2 PHE 54 HB2 PHE 54 -7.722 -6.140 -6.665 412 HB3 PHE 54 HB1 PHE 54 -6.390 -5.604 -5.659 413 HD1 PHE 54 HD1 PHE 54 -5.592 -3.492 -5.746 414 HD2 PHE 54 HD2 PHE 54 -8.309 -4.759 -8.719 415 HE1 PHE 54 HE1 PHE 54 -5.782 -1.181 -6.531 416 HE2 PHE 54 HE2 PHE 54 -8.518 -2.436 -9.521 417 HZ PHE 54 HZ PHE 54 -7.212 -0.647 -8.385 418 H LEU 55 HN LEU 55 -3.944 -5.748 -5.950 419 HA LEU 55 HA LEU 55 -2.717 -3.728 -7.401 420 HB2 LEU 55 HB2 LEU 55 -1.667 -5.478 -5.206 421 HB3 LEU 55 HB1 LEU 55 -0.738 -4.155 -5.873 422 HG LEU 55 HG LEU 55 -3.422 -3.857 -4.543 423 HD11 LEU 55 HD11 LEU 55 -0.635 -3.330 -3.548 424 HD12 LEU 55 HD12 LEU 55 -1.756 -4.555 -2.948 425 HD13 LEU 55 HD13 LEU 55 -2.112 -2.841 -2.730 426 HD21 LEU 55 HD21 LEU 55 -2.974 -2.103 -6.208 427 HD22 LEU 55 HD22 LEU 55 -1.402 -1.807 -5.479 428 HD23 LEU 55 HD23 LEU 55 -2.872 -1.457 -4.574 429 H GLY 56 HN GLY 56 -1.934 -7.148 -7.197 430 HA2 GLY 56 HA2 GLY 56 0.336 -7.132 -8.851 431 HA3 GLY 56 HA1 GLY 56 -0.716 -8.523 -8.573 432 H GLU 57 HN GLU 57 -3.121 -7.474 -9.629 433 HA GLU 57 HA GLU 57 -2.858 -7.887 -12.328 434 HB2 GLU 57 HB2 GLU 57 -4.993 -6.467 -10.783 435 HB3 GLU 57 HB1 GLU 57 -5.134 -6.963 -12.462 436 HG2 GLU 57 HG2 GLU 57 -4.852 -9.311 -11.720 437 HG3 GLU 57 HG1 GLU 57 -4.850 -8.738 -10.051 438 H GLN 58 HN GLN 58 -2.789 -4.911 -10.447 439 HA GLN 58 HA GLN 58 -2.959 -3.214 -12.734 440 HB2 GLN 58 HB2 GLN 58 -1.945 -2.440 -9.979 441 HB3 GLN 58 HB1 GLN 58 -2.540 -1.380 -11.248 442 HG2 GLN 58 HG2 GLN 58 -4.159 -3.326 -9.647 443 HG3 GLN 58 HG1 GLN 58 -4.188 -1.570 -9.537 444 HE21 GLN 58 HE21 GLN 58 -5.227 -4.338 -11.254 445 HE22 GLN 58 HE22 GLN 58 -6.286 -3.547 -12.358 446 H GLY 59 HN GLY 59 -0.339 -3.965 -10.485 447 HA2 GLY 59 HA2 GLY 59 1.700 -4.658 -12.020 448 HA3 GLY 59 HA1 GLY 59 1.609 -2.946 -12.417 449 H VAL 60 HN VAL 60 1.222 -4.744 -9.381 450 HA VAL 60 HA VAL 60 3.465 -3.228 -8.240 451 HB VAL 60 HB VAL 60 0.920 -3.827 -6.724 452 HG11 VAL 60 HG11 VAL 60 2.871 -3.608 -5.378 453 HG12 VAL 60 HG12 VAL 60 1.801 -2.232 -5.098 454 HG13 VAL 60 HG13 VAL 60 3.242 -2.042 -6.091 455 HG21 VAL 60 HG21 VAL 60 0.319 -2.215 -8.475 456 HG22 VAL 60 HG22 VAL 60 1.686 -1.205 -8.016 457 HG23 VAL 60 HG23 VAL 60 0.338 -1.418 -6.899 458 H GLU 61 HN GLU 61 4.804 -4.556 -7.236 459 HA GLU 61 HA GLU 61 3.928 -7.265 -6.610 460 HB2 GLU 61 HB2 GLU 61 6.628 -5.939 -6.682 461 HB3 GLU 61 HB1 GLU 61 6.366 -7.601 -6.164 462 HG2 GLU 61 HG2 GLU 61 5.504 -8.171 -8.329 463 HG3 GLU 61 HG1 GLU 61 5.638 -6.494 -8.843 464 H LEU 62 HN LEU 62 3.850 -7.943 -4.475 465 HA LEU 62 HA LEU 62 4.051 -5.754 -2.617 466 HB2 LEU 62 HB2 LEU 62 2.792 -8.458 -2.197 467 HB3 LEU 62 HB1 LEU 62 2.661 -7.066 -1.150 468 HG LEU 62 HG LEU 62 0.629 -7.037 -2.169 469 HD11 LEU 62 HD11 LEU 62 0.446 -5.272 -3.757 470 HD12 LEU 62 HD12 LEU 62 2.190 -5.309 -3.992 471 HD13 LEU 62 HD13 LEU 62 1.524 -4.882 -2.415 472 HD21 LEU 62 HD21 LEU 62 1.840 -7.884 -4.799 473 HD22 LEU 62 HD22 LEU 62 0.127 -7.542 -4.501 474 HD23 LEU 62 HD23 LEU 62 0.899 -8.883 -3.679 475 H ILE 63 HN ILE 63 5.861 -5.569 -1.584 476 HA ILE 63 HA ILE 63 7.552 -7.898 -1.190 477 HB ILE 63 HB ILE 63 9.128 -6.302 -0.130 478 HG12 ILE 63 HG12 ILE 63 7.361 -4.215 -1.398 479 HG13 ILE 63 HG11 ILE 63 7.643 -4.477 0.309 480 HG21 ILE 63 HG21 ILE 63 9.984 -5.468 -2.188 481 HG22 ILE 63 HG22 ILE 63 8.498 -6.057 -2.994 482 HG23 ILE 63 HG23 ILE 63 9.600 -7.196 -2.132 483 HD11 ILE 63 HD11 ILE 63 9.756 -3.636 -1.661 484 HD12 ILE 63 HD12 ILE 63 9.949 -3.862 0.085 485 HD13 ILE 63 HD13 ILE 63 8.911 -2.577 -0.524 486 H SER 64 HN SER 64 8.677 -7.994 0.780 487 HA SER 64 HA SER 64 6.975 -7.946 3.061 488 HB2 SER 64 HB2 SER 64 9.721 -8.576 2.298 489 HB3 SER 64 HB1 SER 64 9.284 -8.772 3.980 490 HG SER 64 HG SER 64 8.117 -9.984 1.658 491 H GLU 65 HN GLU 65 7.406 -6.596 4.877 492 HA GLU 65 HA GLU 65 8.352 -4.002 4.096 493 HB2 GLU 65 HB2 GLU 65 6.296 -4.183 5.335 494 HB3 GLU 65 HB1 GLU 65 7.083 -5.027 6.650 495 HG2 GLU 65 HG2 GLU 65 7.759 -2.206 5.898 496 HG3 GLU 65 HG1 GLU 65 6.399 -2.560 6.941 497 H ASN 66 HN ASN 66 9.611 -6.732 5.492 498 HA ASN 66 HA ASN 66 11.799 -5.671 6.938 499 HB2 ASN 66 HB2 ASN 66 11.123 -8.033 7.120 500 HB3 ASN 66 HB1 ASN 66 11.553 -8.293 5.439 501 HD21 ASN 66 HD21 ASN 66 12.768 -7.804 8.655 502 HD22 ASN 66 HD22 ASN 66 14.386 -8.327 8.332 503 H GLU 67 HN GLU 67 11.106 -5.738 3.691 504 HA GLU 67 HA GLU 67 13.804 -4.832 2.995 505 HB2 GLU 67 HB2 GLU 67 13.512 -5.892 0.787 506 HB3 GLU 67 HB1 GLU 67 13.227 -7.071 2.084 507 HG2 GLU 67 HG2 GLU 67 10.801 -6.645 1.797 508 HG3 GLU 67 HG1 GLU 67 11.206 -5.695 0.374 509 H GLU 68 HN GLU 68 13.642 -3.323 1.044 510 HA GLU 68 HA GLU 68 11.275 -2.152 0.148 511 HB2 GLU 68 HB2 GLU 68 11.640 -1.360 2.748 512 HB3 GLU 68 HB1 GLU 68 12.588 -0.136 1.920 513 HG2 GLU 68 HG2 GLU 68 9.670 -0.728 1.404 514 HG3 GLU 68 HG1 GLU 68 10.281 0.596 2.388 515 H THR 69 HN THR 69 11.833 -0.220 -1.231 516 HA THR 69 HA THR 69 14.664 -0.308 -1.845 517 HB THR 69 HB THR 69 13.445 -1.632 -3.535 518 HG1 THR 69 HG1 THR 69 14.568 0.808 -4.453 519 HG21 THR 69 HG21 THR 69 12.071 0.984 -4.172 520 HG22 THR 69 HG22 THR 69 11.307 -0.450 -3.494 521 HG23 THR 69 HG23 THR 69 11.955 -0.487 -5.136 522 H GLU 70 HN GLU 70 12.107 1.735 -1.308 523 HA GLU 70 HA GLU 70 13.687 3.940 -2.372 524 HB2 GLU 70 HB2 GLU 70 11.065 4.124 -0.911 525 HB3 GLU 70 HB1 GLU 70 11.828 5.377 -1.884 526 HG2 GLU 70 HG2 GLU 70 11.682 3.808 -3.783 527 HG3 GLU 70 HG1 GLU 70 10.696 2.795 -2.741 528 H ASP 71 HN ASP 71 13.373 2.151 0.296 529 HA ASP 71 HA ASP 71 14.024 4.322 2.038 530 HB2 ASP 71 HB2 ASP 71 12.327 2.594 2.745 531 HB3 ASP 71 HB1 ASP 71 13.642 1.429 2.854 532 H LEU 72 HN LEU 72 15.563 2.513 -0.002 533 HA LEU 72 HA LEU 72 17.949 1.849 1.528 534 HB2 LEU 72 HB2 LEU 72 17.412 1.721 -1.448 535 HB3 LEU 72 HB1 LEU 72 18.906 1.208 -0.692 536 HG LEU 72 HG LEU 72 16.197 -0.041 -0.221 537 HD11 LEU 72 HD11 LEU 72 17.084 -1.929 -1.484 538 HD12 LEU 72 HD12 LEU 72 18.572 -1.033 -1.791 539 HD13 LEU 72 HD13 LEU 72 17.047 -0.469 -2.471 540 HD21 LEU 72 HD21 LEU 72 17.476 -1.793 0.937 541 HD22 LEU 72 HD22 LEU 72 17.640 -0.231 1.734 542 HD23 LEU 72 HD23 LEU 72 18.949 -0.847 0.726 543 H GLU 73 HN GLU 73 16.802 4.242 -0.721 544 HA GLU 73 HA GLU 73 19.173 5.805 -0.131 545 HB2 GLU 73 HB2 GLU 73 18.558 7.093 -2.254 546 HB3 GLU 73 HB1 GLU 73 19.192 5.473 -2.476 547 HG2 GLU 73 HG2 GLU 73 16.903 4.644 -2.832 548 HG3 GLU 73 HG1 GLU 73 16.291 6.286 -2.636 549 H HIS 74 HN HIS 74 18.625 6.833 1.613 550 HA HIS 74 HA HIS 74 15.981 7.708 2.150 551 HB2 HIS 74 HB2 HIS 74 18.574 8.115 3.601 552 HB3 HIS 74 HB1 HIS 74 17.074 8.833 4.160 553 HD1 HIS 74 HD1 HIS 74 15.363 7.231 5.293 554 HD2 HIS 74 HD2 HIS 74 18.779 5.358 3.871 555 HE1 HIS 74 HE1 HIS 74 15.309 4.915 6.198 556 H HIS 75 HN HIS 75 15.127 9.288 1.101 557 HA HIS 75 HA HIS 75 16.696 11.723 0.710 558 HB2 HIS 75 HB2 HIS 75 14.117 10.804 -0.593 559 HB3 HIS 75 HB1 HIS 75 14.794 12.410 -0.813 560 HD1 HIS 75 HD1 HIS 75 15.151 8.885 -1.982 561 HD2 HIS 75 HD2 HIS 75 17.196 12.491 -2.302 562 HE1 HIS 75 HE1 HIS 75 16.761 8.604 -3.872 563 H HIS 76 HN HIS 76 16.265 11.538 3.184 564 HA HIS 76 HA HIS 76 13.832 13.068 3.779 565 HB2 HIS 76 HB2 HIS 76 15.462 11.337 5.689 566 HB3 HIS 76 HB1 HIS 76 14.014 12.232 6.098 567 HD1 HIS 76 HD1 HIS 76 11.744 11.045 5.594 568 HD2 HIS 76 HD2 HIS 76 15.063 8.999 4.161 569 HE1 HIS 76 HE1 HIS 76 10.936 8.753 4.980 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -13.029 3.951 -10.016 2 H2 ALA 1 HT2 ALA 1 -13.779 5.421 -10.399 3 H3 ALA 1 HT3 ALA 1 -13.810 4.862 -8.828 4 HA ALA 1 HA ALA 1 -11.449 5.133 -8.633 5 HB1 ALA 1 HB1 ALA 1 -10.187 6.201 -10.409 6 HB2 ALA 1 HB2 ALA 1 -11.622 6.267 -11.426 7 HB3 ALA 1 HB3 ALA 1 -10.913 4.708 -11.005 8 H ASP 2 HN ASP 2 -11.580 6.594 -7.155 9 HA ASP 2 HA ASP 2 -12.723 9.242 -7.832 10 HB2 ASP 2 HB2 ASP 2 -13.022 7.756 -5.208 11 HB3 ASP 2 HB1 ASP 2 -13.480 9.428 -5.457 12 H LYS 3 HN LYS 3 -10.690 7.451 -5.572 13 HA LYS 3 HA LYS 3 -8.655 7.781 -4.697 14 HB2 LYS 3 HB2 LYS 3 -8.411 10.150 -6.568 15 HB3 LYS 3 HB1 LYS 3 -7.089 9.435 -5.660 16 HG2 LYS 3 HG2 LYS 3 -7.313 7.367 -6.921 17 HG3 LYS 3 HG1 LYS 3 -8.706 8.024 -7.781 18 HD2 LYS 3 HD2 LYS 3 -7.219 9.837 -8.643 19 HD3 LYS 3 HD1 LYS 3 -5.856 9.000 -7.900 20 HE2 LYS 3 HE2 LYS 3 -7.693 7.808 -9.976 21 HE3 LYS 3 HE1 LYS 3 -6.110 8.501 -10.314 22 HZ1 LYS 3 HZ1 LYS 3 -6.571 6.198 -8.496 23 HZ2 LYS 3 HZ2 LYS 3 -5.060 6.796 -9.078 24 HZ3 LYS 3 HZ3 LYS 3 -6.160 6.079 -10.125 25 H GLN 4 HN GLN 4 -11.159 9.660 -4.166 26 HA GLN 4 HA GLN 4 -11.897 10.931 -2.465 27 HB2 GLN 4 HB2 GLN 4 -10.686 9.510 -0.921 28 HB3 GLN 4 HB1 GLN 4 -9.174 10.359 -1.233 29 HG2 GLN 4 HG2 GLN 4 -10.037 10.979 0.924 30 HG3 GLN 4 HG1 GLN 4 -10.159 12.364 -0.157 31 HE21 GLN 4 HE21 GLN 4 -11.891 10.051 1.715 32 HE22 GLN 4 HE22 GLN 4 -13.455 10.737 1.467 33 H THR 5 HN THR 5 -12.059 13.101 -1.880 34 HA THR 5 HA THR 5 -10.404 14.880 -3.417 35 HB THR 5 HB THR 5 -12.011 16.610 -2.403 36 HG1 THR 5 HG1 THR 5 -12.760 15.397 -0.690 37 HG21 THR 5 HG21 THR 5 -13.844 16.000 -3.940 38 HG22 THR 5 HG22 THR 5 -13.160 14.383 -4.097 39 HG23 THR 5 HG23 THR 5 -12.267 15.780 -4.700 40 H HIS 6 HN HIS 6 -8.480 14.721 -2.405 41 HA HIS 6 HA HIS 6 -6.792 15.311 -1.111 42 HB2 HIS 6 HB2 HIS 6 -7.986 17.511 -0.769 43 HB3 HIS 6 HB1 HIS 6 -8.745 16.829 0.657 44 HD1 HIS 6 HD1 HIS 6 -5.590 18.394 -0.533 45 HD2 HIS 6 HD2 HIS 6 -6.986 16.439 2.846 46 HE1 HIS 6 HE1 HIS 6 -3.969 18.950 1.326 47 H GLU 7 HN GLU 7 -5.682 14.245 0.390 48 HA GLU 7 HA GLU 7 -7.009 11.996 1.488 49 HB2 GLU 7 HB2 GLU 7 -4.710 12.038 0.404 50 HB3 GLU 7 HB1 GLU 7 -4.122 12.803 1.863 51 HG2 GLU 7 HG2 GLU 7 -5.460 10.114 1.903 52 HG3 GLU 7 HG1 GLU 7 -3.746 10.293 1.569 53 H THR 8 HN THR 8 -8.407 12.864 2.908 54 HA THR 8 HA THR 8 -7.341 13.225 5.589 55 HB THR 8 HB THR 8 -9.595 14.892 4.403 56 HG1 THR 8 HG1 THR 8 -6.876 15.285 4.692 57 HG21 THR 8 HG21 THR 8 -9.859 14.416 6.805 58 HG22 THR 8 HG22 THR 8 -9.516 16.124 6.519 59 HG23 THR 8 HG23 THR 8 -8.241 15.055 7.104 60 H GLU 9 HN GLU 9 -7.903 11.097 5.921 61 HA GLU 9 HA GLU 9 -9.034 9.268 6.313 62 HB2 GLU 9 HB2 GLU 9 -11.129 11.230 7.155 63 HB3 GLU 9 HB1 GLU 9 -11.204 9.503 7.538 64 HG2 GLU 9 HG2 GLU 9 -8.984 9.778 8.666 65 HG3 GLU 9 HG1 GLU 9 -9.147 11.515 8.425 66 H LEU 10 HN LEU 10 -9.628 7.829 4.999 67 HA LEU 10 HA LEU 10 -11.454 8.669 2.867 68 HB2 LEU 10 HB2 LEU 10 -9.392 6.598 2.290 69 HB3 LEU 10 HB1 LEU 10 -10.156 7.792 1.271 70 HG LEU 10 HG LEU 10 -8.682 9.527 2.467 71 HD11 LEU 10 HD11 LEU 10 -7.976 8.110 4.292 72 HD12 LEU 10 HD12 LEU 10 -6.581 8.677 3.353 73 HD13 LEU 10 HD13 LEU 10 -7.180 7.026 3.157 74 HD21 LEU 10 HD21 LEU 10 -7.432 7.442 0.685 75 HD22 LEU 10 HD22 LEU 10 -6.841 9.085 0.919 76 HD23 LEU 10 HD23 LEU 10 -8.398 8.809 0.134 77 H THR 11 HN THR 11 -12.047 6.441 1.585 78 HA THR 11 HA THR 11 -13.131 4.734 3.660 79 HB THR 11 HB THR 11 -14.703 3.925 1.950 80 HG1 THR 11 HG1 THR 11 -14.603 4.914 -0.154 81 HG21 THR 11 HG21 THR 11 -14.448 6.920 1.814 82 HG22 THR 11 HG22 THR 11 -15.317 6.019 3.066 83 HG23 THR 11 HG23 THR 11 -15.893 6.000 1.395 84 H PHE 12 HN PHE 12 -13.374 2.360 2.619 85 HA PHE 12 HA PHE 12 -10.721 1.439 2.474 86 HB2 PHE 12 HB2 PHE 12 -12.513 0.027 3.389 87 HB3 PHE 12 HB1 PHE 12 -13.286 -0.048 1.816 88 HD1 PHE 12 HD1 PHE 12 -12.966 -1.984 0.609 89 HD2 PHE 12 HD2 PHE 12 -9.932 -0.710 3.299 90 HE1 PHE 12 HE1 PHE 12 -11.643 -3.993 0.080 91 HE2 PHE 12 HE2 PHE 12 -8.623 -2.683 2.775 92 HZ PHE 12 HZ PHE 12 -9.446 -4.343 1.195 93 H ASP 13 HN ASP 13 -13.169 1.985 0.148 94 HA ASP 13 HA ASP 13 -11.780 1.218 -2.163 95 HB2 ASP 13 HB2 ASP 13 -14.082 3.096 -1.788 96 HB3 ASP 13 HB1 ASP 13 -13.341 2.857 -3.368 97 H GLN 14 HN GLN 14 -11.768 4.164 -0.463 98 HA GLN 14 HA GLN 14 -10.353 5.579 -2.550 99 HB2 GLN 14 HB2 GLN 14 -10.805 6.350 0.316 100 HB3 GLN 14 HB1 GLN 14 -10.168 7.422 -0.950 101 HG2 GLN 14 HG2 GLN 14 -12.895 6.194 -0.962 102 HG3 GLN 14 HG1 GLN 14 -12.525 7.799 -0.346 103 HE21 GLN 14 HE21 GLN 14 -13.780 8.814 -1.805 104 HE22 GLN 14 HE22 GLN 14 -13.355 8.926 -3.466 105 H VAL 15 HN VAL 15 -9.579 3.865 0.384 106 HA VAL 15 HA VAL 15 -6.876 4.743 0.514 107 HB VAL 15 HB VAL 15 -8.347 2.522 1.974 108 HG11 VAL 15 HG11 VAL 15 -5.461 3.364 2.124 109 HG12 VAL 15 HG12 VAL 15 -6.039 1.800 1.589 110 HG13 VAL 15 HG13 VAL 15 -6.220 2.275 3.297 111 HG21 VAL 15 HG21 VAL 15 -8.792 4.785 2.717 112 HG22 VAL 15 HG22 VAL 15 -7.045 5.076 2.855 113 HG23 VAL 15 HG23 VAL 15 -7.827 3.927 3.925 114 H LYS 16 HN LYS 16 -8.610 1.891 -0.772 115 HA LYS 16 HA LYS 16 -6.483 0.520 -1.561 116 HB2 LYS 16 HB2 LYS 16 -9.262 0.902 -2.518 117 HB3 LYS 16 HB1 LYS 16 -8.160 0.020 -3.550 118 HG2 LYS 16 HG2 LYS 16 -7.724 -1.469 -1.538 119 HG3 LYS 16 HG1 LYS 16 -9.029 -0.613 -0.735 120 HD2 LYS 16 HD2 LYS 16 -9.303 -2.205 -3.299 121 HD3 LYS 16 HD1 LYS 16 -9.710 -2.804 -1.700 122 HE2 LYS 16 HE2 LYS 16 -11.785 -2.175 -2.497 123 HE3 LYS 16 HE1 LYS 16 -11.299 -0.734 -1.629 124 HZ1 LYS 16 HZ1 LYS 16 -12.249 -0.152 -3.736 125 HZ2 LYS 16 HZ2 LYS 16 -11.230 -1.183 -4.553 126 HZ3 LYS 16 HZ3 LYS 16 -10.593 0.207 -3.881 127 H GLU 17 HN GLU 17 -8.151 3.198 -3.210 128 HA GLU 17 HA GLU 17 -6.356 3.161 -5.334 129 HB2 GLU 17 HB2 GLU 17 -8.214 5.333 -4.438 130 HB3 GLU 17 HB1 GLU 17 -7.192 5.460 -5.866 131 HG2 GLU 17 HG2 GLU 17 -8.248 3.332 -6.680 132 HG3 GLU 17 HG1 GLU 17 -9.394 3.488 -5.353 133 H GLN 18 HN GLN 18 -5.903 4.659 -2.135 134 HA GLN 18 HA GLN 18 -3.939 6.404 -3.096 135 HB2 GLN 18 HB2 GLN 18 -3.510 7.067 -0.820 136 HB3 GLN 18 HB1 GLN 18 -5.210 6.620 -0.918 137 HG2 GLN 18 HG2 GLN 18 -4.807 4.554 0.151 138 HG3 GLN 18 HG1 GLN 18 -3.074 4.852 0.155 139 HE21 GLN 18 HE21 GLN 18 -3.312 7.680 0.880 140 HE22 GLN 18 HE22 GLN 18 -3.779 7.685 2.535 141 H LEU 19 HN LEU 19 -3.851 3.398 -1.579 142 HA LEU 19 HA LEU 19 -1.091 2.986 -1.557 143 HB2 LEU 19 HB2 LEU 19 -3.527 1.407 -1.289 144 HB3 LEU 19 HB1 LEU 19 -2.026 0.555 -1.445 145 HG LEU 19 HG LEU 19 -2.679 2.624 0.679 146 HD11 LEU 19 HD11 LEU 19 -4.040 0.683 0.949 147 HD12 LEU 19 HD12 LEU 19 -2.788 0.699 2.203 148 HD13 LEU 19 HD13 LEU 19 -2.631 -0.361 0.800 149 HD21 LEU 19 HD21 LEU 19 -0.283 2.491 0.246 150 HD22 LEU 19 HD22 LEU 19 -0.337 0.738 0.405 151 HD23 LEU 19 HD23 LEU 19 -0.663 1.758 1.803 152 H THR 20 HN THR 20 -3.611 2.102 -3.826 153 HA THR 20 HA THR 20 -2.099 0.538 -5.538 154 HB THR 20 HB THR 20 -4.513 2.267 -5.918 155 HG1 THR 20 HG1 THR 20 -4.096 -0.117 -4.966 156 HG21 THR 20 HG21 THR 20 -4.863 1.193 -8.136 157 HG22 THR 20 HG22 THR 20 -3.230 0.502 -8.029 158 HG23 THR 20 HG23 THR 20 -3.461 2.259 -8.061 159 H GLU 21 HN GLU 21 -2.738 4.025 -5.580 160 HA GLU 21 HA GLU 21 -1.450 4.558 -7.992 161 HB2 GLU 21 HB2 GLU 21 -3.133 5.832 -6.752 162 HB3 GLU 21 HB1 GLU 21 -1.892 6.361 -5.613 163 HG2 GLU 21 HG2 GLU 21 -2.269 8.106 -7.216 164 HG3 GLU 21 HG1 GLU 21 -0.696 7.379 -7.558 165 H SER 22 HN SER 22 -0.442 4.569 -4.693 166 HA SER 22 HA SER 22 2.154 5.655 -4.966 167 HB2 SER 22 HB2 SER 22 1.144 3.707 -2.882 168 HB3 SER 22 HB1 SER 22 2.613 4.676 -2.750 169 HG SER 22 HG SER 22 -0.089 5.591 -2.832 170 H GLY 23 HN GLY 23 1.038 2.338 -4.843 171 HA2 GLY 23 HA2 GLY 23 3.533 1.022 -5.212 172 HA3 GLY 23 HA1 GLY 23 1.952 0.339 -5.556 173 H LYS 24 HN LYS 24 1.128 2.248 -7.461 174 HA LYS 24 HA LYS 24 2.158 1.161 -9.820 175 HB2 LYS 24 HB2 LYS 24 0.560 3.635 -9.284 176 HB3 LYS 24 HB1 LYS 24 0.910 3.037 -10.898 177 HG2 LYS 24 HG2 LYS 24 -0.363 1.348 -8.807 178 HG3 LYS 24 HG1 LYS 24 -1.352 2.400 -9.786 179 HD2 LYS 24 HD2 LYS 24 0.503 0.195 -10.789 180 HD3 LYS 24 HD1 LYS 24 -1.247 0.054 -10.619 181 HE2 LYS 24 HE2 LYS 24 -1.562 1.813 -12.256 182 HE3 LYS 24 HE1 LYS 24 0.189 1.996 -12.413 183 HZ1 LYS 24 HZ1 LYS 24 0.275 -0.278 -13.277 184 HZ2 LYS 24 HZ2 LYS 24 -0.676 0.724 -14.215 185 HZ3 LYS 24 HZ3 LYS 24 -1.413 -0.377 -13.195 186 H LYS 25 HN LYS 25 2.968 4.114 -8.100 187 HA LYS 25 HA LYS 25 4.594 5.187 -10.156 188 HB2 LYS 25 HB2 LYS 25 4.382 5.781 -7.210 189 HB3 LYS 25 HB1 LYS 25 5.321 6.728 -8.354 190 HG2 LYS 25 HG2 LYS 25 3.368 7.439 -9.509 191 HG3 LYS 25 HG1 LYS 25 2.363 6.268 -8.654 192 HD2 LYS 25 HD2 LYS 25 2.038 8.522 -7.764 193 HD3 LYS 25 HD1 LYS 25 2.744 7.456 -6.554 194 HE2 LYS 25 HE2 LYS 25 4.971 8.385 -7.117 195 HE3 LYS 25 HE1 LYS 25 4.185 9.523 -8.214 196 HZ1 LYS 25 HZ1 LYS 25 4.636 10.512 -6.059 197 HZ2 LYS 25 HZ2 LYS 25 3.771 9.318 -5.289 198 HZ3 LYS 25 HZ3 LYS 25 2.971 10.415 -6.297 199 H ARG 26 HN ARG 26 5.125 3.280 -7.330 200 HA ARG 26 HA ARG 26 8.019 3.448 -7.513 201 HB2 ARG 26 HB2 ARG 26 6.396 1.598 -5.805 202 HB3 ARG 26 HB1 ARG 26 8.089 1.996 -5.617 203 HG2 ARG 26 HG2 ARG 26 7.493 4.269 -4.987 204 HG3 ARG 26 HG1 ARG 26 5.779 3.882 -5.226 205 HD2 ARG 26 HD2 ARG 26 6.055 2.015 -3.646 206 HD3 ARG 26 HD1 ARG 26 7.671 2.616 -3.268 207 HE ARG 26 HE ARG 26 5.947 4.696 -2.832 208 HH11 ARG 26 HH11 ARG 26 6.607 1.466 -1.635 209 HH12 ARG 26 HH12 ARG 26 5.684 1.605 -0.213 210 HH21 ARG 26 HH21 ARG 26 4.690 4.958 -0.722 211 HH22 ARG 26 HH22 ARG 26 4.629 3.555 0.272 212 H GLY 27 HN GLY 27 5.616 0.878 -7.702 213 HA2 GLY 27 HA2 GLY 27 5.698 -0.820 -9.340 214 HA3 GLY 27 HA1 GLY 27 7.465 -0.842 -9.194 215 H VAL 28 HN VAL 28 6.342 -0.282 -6.186 216 HA VAL 28 HA VAL 28 5.740 -3.002 -5.444 217 HB VAL 28 HB VAL 28 8.182 -2.875 -5.857 218 HG11 VAL 28 HG11 VAL 28 8.172 -1.074 -3.485 219 HG12 VAL 28 HG12 VAL 28 8.580 -0.644 -5.150 220 HG13 VAL 28 HG13 VAL 28 9.619 -1.766 -4.239 221 HG21 VAL 28 HG21 VAL 28 7.305 -3.437 -3.083 222 HG22 VAL 28 HG22 VAL 28 8.833 -4.011 -3.808 223 HG23 VAL 28 HG23 VAL 28 7.258 -4.524 -4.470 224 H LEU 29 HN LEU 29 5.221 -3.214 -3.294 225 HA LEU 29 HA LEU 29 5.113 -0.868 -1.618 226 HB2 LEU 29 HB2 LEU 29 2.828 -2.617 -2.424 227 HB3 LEU 29 HB1 LEU 29 2.760 -1.742 -0.929 228 HG LEU 29 HG LEU 29 2.964 -0.506 -3.679 229 HD11 LEU 29 HD11 LEU 29 0.639 -0.781 -1.778 230 HD12 LEU 29 HD12 LEU 29 0.843 -1.664 -3.288 231 HD13 LEU 29 HD13 LEU 29 0.617 0.087 -3.313 232 HD21 LEU 29 HD21 LEU 29 2.389 1.563 -2.524 233 HD22 LEU 29 HD22 LEU 29 3.916 0.912 -1.928 234 HD23 LEU 29 HD23 LEU 29 2.437 0.721 -0.977 235 H THR 30 HN THR 30 5.510 -1.544 0.598 236 HA THR 30 HA THR 30 5.918 -4.321 1.068 237 HB THR 30 HB THR 30 6.248 -3.659 3.468 238 HG1 THR 30 HG1 THR 30 5.993 -1.725 4.182 239 HG21 THR 30 HG21 THR 30 8.360 -2.338 3.087 240 HG22 THR 30 HG22 THR 30 7.940 -2.355 1.359 241 HG23 THR 30 HG23 THR 30 8.178 -3.867 2.254 242 H TYR 31 HN TYR 31 4.644 -5.680 2.328 243 HA TYR 31 HA TYR 31 1.855 -5.428 2.234 244 HB2 TYR 31 HB2 TYR 31 3.516 -7.109 4.113 245 HB3 TYR 31 HB1 TYR 31 1.773 -7.220 3.981 246 HD1 TYR 31 HD1 TYR 31 1.190 -7.341 1.210 247 HD2 TYR 31 HD2 TYR 31 4.523 -8.943 3.259 248 HE1 TYR 31 HE1 TYR 31 1.419 -9.059 -0.518 249 HE2 TYR 31 HE2 TYR 31 4.785 -10.660 1.521 250 HH TYR 31 HH TYR 31 3.399 -11.762 -0.150 251 H GLU 32 HN GLU 32 4.129 -4.479 4.703 252 HA GLU 32 HA GLU 32 2.063 -4.150 6.627 253 HB2 GLU 32 HB2 GLU 32 4.445 -4.836 7.118 254 HB3 GLU 32 HB1 GLU 32 4.877 -3.147 6.897 255 HG2 GLU 32 HG2 GLU 32 3.481 -2.483 8.715 256 HG3 GLU 32 HG1 GLU 32 2.830 -4.112 8.867 257 H GLU 33 HN GLU 33 3.508 -2.025 4.241 258 HA GLU 33 HA GLU 33 2.481 0.297 5.619 259 HB2 GLU 33 HB2 GLU 33 3.217 1.617 3.744 260 HB3 GLU 33 HB1 GLU 33 4.484 0.461 4.099 261 HG2 GLU 33 HG2 GLU 33 3.752 -0.918 2.228 262 HG3 GLU 33 HG1 GLU 33 2.463 0.233 1.885 263 H ILE 34 HN ILE 34 1.519 -1.962 3.236 264 HA ILE 34 HA ILE 34 -0.822 -0.673 2.360 265 HB ILE 34 HB ILE 34 -0.146 -3.625 2.487 266 HG12 ILE 34 HG12 ILE 34 -0.088 -1.680 0.180 267 HG13 ILE 34 HG11 ILE 34 1.326 -2.217 1.081 268 HG21 ILE 34 HG21 ILE 34 -1.986 -3.921 0.842 269 HG22 ILE 34 HG22 ILE 34 -2.401 -2.226 1.043 270 HG23 ILE 34 HG23 ILE 34 -2.555 -3.330 2.404 271 HD11 ILE 34 HD11 ILE 34 1.111 -3.370 -1.017 272 HD12 ILE 34 HD12 ILE 34 -0.491 -3.951 -0.562 273 HD13 ILE 34 HD13 ILE 34 0.936 -4.498 0.327 274 H ALA 35 HN ALA 35 -0.062 -2.844 5.065 275 HA ALA 35 HA ALA 35 -2.647 -3.260 5.889 276 HB1 ALA 35 HB1 ALA 35 -1.619 -4.139 7.939 277 HB2 ALA 35 HB2 ALA 35 -0.069 -3.462 7.442 278 HB3 ALA 35 HB3 ALA 35 -0.814 -4.745 6.488 279 H GLU 36 HN GLU 36 -0.285 -0.737 6.363 280 HA GLU 36 HA GLU 36 -1.022 0.341 8.811 281 HB2 GLU 36 HB2 GLU 36 1.068 0.921 7.787 282 HB3 GLU 36 HB1 GLU 36 0.246 1.599 6.389 283 HG2 GLU 36 HG2 GLU 36 -0.712 3.351 7.809 284 HG3 GLU 36 HG1 GLU 36 0.140 2.686 9.196 285 H ARG 37 HN ARG 37 -1.973 1.383 5.484 286 HA ARG 37 HA ARG 37 -3.653 3.420 6.362 287 HB2 ARG 37 HB2 ARG 37 -3.871 1.855 3.806 288 HB3 ARG 37 HB1 ARG 37 -4.323 3.521 4.091 289 HG2 ARG 37 HG2 ARG 37 -1.504 2.472 4.065 290 HG3 ARG 37 HG1 ARG 37 -2.303 3.255 2.714 291 HD2 ARG 37 HD2 ARG 37 -2.493 5.306 4.000 292 HD3 ARG 37 HD1 ARG 37 -1.732 4.527 5.396 293 HE ARG 37 HE ARG 37 0.013 4.144 3.318 294 HH11 ARG 37 HH11 ARG 37 -1.314 7.000 4.926 295 HH12 ARG 37 HH12 ARG 37 0.032 7.977 4.576 296 HH21 ARG 37 HH21 ARG 37 1.824 5.473 2.848 297 HH22 ARG 37 HH22 ARG 37 1.885 7.082 3.377 298 H MET 38 HN MET 38 -4.014 -0.010 5.853 299 HA MET 38 HA MET 38 -6.881 0.085 5.820 300 HB2 MET 38 HB2 MET 38 -5.093 -2.345 6.057 301 HB3 MET 38 HB1 MET 38 -6.805 -2.339 5.737 302 HG2 MET 38 HG2 MET 38 -4.692 -1.198 3.954 303 HG3 MET 38 HG1 MET 38 -5.544 -2.725 3.712 304 HE1 MET 38 HE1 MET 38 -6.364 -2.147 1.283 305 HE2 MET 38 HE2 MET 38 -5.334 -0.731 1.418 306 HE3 MET 38 HE3 MET 38 -6.991 -0.559 0.831 307 H SER 39 HN SER 39 -4.635 0.366 8.208 308 HA SER 39 HA SER 39 -6.001 -1.113 10.246 309 HB2 SER 39 HB2 SER 39 -3.505 -0.636 10.260 310 HB3 SER 39 HB1 SER 39 -3.892 1.048 10.594 311 HG SER 39 HG SER 39 -5.102 0.120 12.471 312 H SER 40 HN SER 40 -6.624 1.703 8.604 313 HA SER 40 HA SER 40 -7.940 3.197 10.647 314 HB2 SER 40 HB2 SER 40 -7.191 4.152 8.428 315 HB3 SER 40 HB1 SER 40 -8.397 3.132 7.651 316 HG SER 40 HG SER 40 -9.563 4.570 9.591 317 H PHE 41 HN PHE 41 -8.566 0.535 8.591 318 HA PHE 41 HA PHE 41 -11.388 0.273 9.376 319 HB2 PHE 41 HB2 PHE 41 -9.860 -1.147 7.211 320 HB3 PHE 41 HB1 PHE 41 -11.600 -1.043 7.309 321 HD1 PHE 41 HD1 PHE 41 -8.841 0.031 5.657 322 HD2 PHE 41 HD2 PHE 41 -12.381 1.600 7.386 323 HE1 PHE 41 HE1 PHE 41 -8.616 2.027 4.277 324 HE2 PHE 41 HE2 PHE 41 -12.176 3.607 5.994 325 HZ PHE 41 HZ PHE 41 -10.277 3.822 4.446 326 H GLU 42 HN GLU 42 -11.707 -2.338 9.103 327 HA GLU 42 HA GLU 42 -9.506 -3.669 10.452 328 HB2 GLU 42 HB2 GLU 42 -12.467 -4.099 10.887 329 HB3 GLU 42 HB1 GLU 42 -11.198 -5.104 11.581 330 HG2 GLU 42 HG2 GLU 42 -10.307 -3.142 12.737 331 HG3 GLU 42 HG1 GLU 42 -11.604 -2.170 12.070 332 H ILE 43 HN ILE 43 -8.650 -4.398 8.650 333 HA ILE 43 HA ILE 43 -10.263 -6.016 6.780 334 HB ILE 43 HB ILE 43 -7.548 -4.724 6.400 335 HG12 ILE 43 HG12 ILE 43 -9.262 -3.042 6.710 336 HG13 ILE 43 HG11 ILE 43 -8.668 -3.040 5.054 337 HG21 ILE 43 HG21 ILE 43 -7.867 -5.144 4.037 338 HG22 ILE 43 HG22 ILE 43 -9.397 -5.942 4.384 339 HG23 ILE 43 HG23 ILE 43 -7.888 -6.648 4.962 340 HD11 ILE 43 HD11 ILE 43 -11.048 -2.748 5.087 341 HD12 ILE 43 HD12 ILE 43 -11.237 -4.215 6.059 342 HD13 ILE 43 HD13 ILE 43 -10.644 -4.325 4.394 343 H GLU 44 HN GLU 44 -9.913 -8.021 6.668 344 HA GLU 44 HA GLU 44 -8.143 -9.467 8.440 345 HB2 GLU 44 HB2 GLU 44 -9.733 -10.509 6.096 346 HB3 GLU 44 HB1 GLU 44 -9.033 -11.464 7.377 347 HG2 GLU 44 HG2 GLU 44 -10.584 -10.538 8.973 348 HG3 GLU 44 HG1 GLU 44 -11.234 -9.453 7.742 349 H SER 45 HN SER 45 -6.677 -11.167 7.551 350 HA SER 45 HA SER 45 -4.830 -10.160 5.691 351 HB2 SER 45 HB2 SER 45 -4.246 -11.716 7.544 352 HB3 SER 45 HB1 SER 45 -5.173 -12.990 6.755 353 HG SER 45 HG SER 45 -3.592 -13.340 5.484 354 H ASP 46 HN ASP 46 -7.617 -12.288 5.469 355 HA ASP 46 HA ASP 46 -7.150 -13.328 2.857 356 HB2 ASP 46 HB2 ASP 46 -9.803 -12.872 4.258 357 HB3 ASP 46 HB1 ASP 46 -9.530 -13.927 2.883 358 H GLN 47 HN GLN 47 -8.941 -10.655 4.196 359 HA GLN 47 HA GLN 47 -10.027 -9.631 1.869 360 HB2 GLN 47 HB2 GLN 47 -9.333 -8.312 4.440 361 HB3 GLN 47 HB1 GLN 47 -10.221 -7.518 3.137 362 HG2 GLN 47 HG2 GLN 47 -11.825 -9.444 3.230 363 HG3 GLN 47 HG1 GLN 47 -10.973 -9.935 4.680 364 HE21 GLN 47 HE21 GLN 47 -12.760 -9.704 5.884 365 HE22 GLN 47 HE22 GLN 47 -13.338 -8.133 6.301 366 H MET 48 HN MET 48 -6.999 -9.051 3.550 367 HA MET 48 HA MET 48 -6.017 -7.022 1.916 368 HB2 MET 48 HB2 MET 48 -4.666 -8.956 3.761 369 HB3 MET 48 HB1 MET 48 -3.702 -7.922 2.732 370 HG2 MET 48 HG2 MET 48 -5.790 -6.761 4.531 371 HG3 MET 48 HG1 MET 48 -4.207 -7.205 5.159 372 HE1 MET 48 HE1 MET 48 -4.956 -5.506 1.513 373 HE2 MET 48 HE2 MET 48 -4.921 -3.825 2.028 374 HE3 MET 48 HE3 MET 48 -6.181 -4.903 2.633 375 H ASP 49 HN ASP 49 -5.684 -10.541 1.683 376 HA ASP 49 HA ASP 49 -3.859 -10.601 -0.459 377 HB2 ASP 49 HB2 ASP 49 -4.527 -12.575 0.941 378 HB3 ASP 49 HB1 ASP 49 -6.037 -12.617 0.051 379 H GLU 50 HN GLU 50 -7.332 -10.310 -0.396 380 HA GLU 50 HA GLU 50 -7.861 -10.587 -3.080 381 HB2 GLU 50 HB2 GLU 50 -9.138 -8.627 -1.170 382 HB3 GLU 50 HB1 GLU 50 -9.777 -9.014 -2.754 383 HG2 GLU 50 HG2 GLU 50 -10.090 -11.332 -2.022 384 HG3 GLU 50 HG1 GLU 50 -9.511 -10.880 -0.414 385 H TYR 51 HN TYR 51 -6.935 -7.751 -1.235 386 HA TYR 51 HA TYR 51 -6.907 -5.955 -3.427 387 HB2 TYR 51 HB2 TYR 51 -7.217 -5.195 -1.136 388 HB3 TYR 51 HB1 TYR 51 -5.605 -5.740 -0.719 389 HD1 TYR 51 HD1 TYR 51 -4.305 -3.917 -0.248 390 HD2 TYR 51 HD2 TYR 51 -6.856 -3.729 -3.681 391 HE1 TYR 51 HE1 TYR 51 -3.331 -1.755 -0.886 392 HE2 TYR 51 HE2 TYR 51 -5.889 -1.595 -4.268 393 HH TYR 51 HH TYR 51 -4.711 0.251 -3.174 394 H TYR 52 HN TYR 52 -4.503 -8.063 -1.967 395 HA TYR 52 HA TYR 52 -2.273 -6.925 -3.216 396 HB2 TYR 52 HB2 TYR 52 -2.652 -9.776 -2.280 397 HB3 TYR 52 HB1 TYR 52 -1.115 -9.109 -2.816 398 HD1 TYR 52 HD1 TYR 52 -1.502 -6.346 -1.472 399 HD2 TYR 52 HD2 TYR 52 -1.993 -10.326 -0.056 400 HE1 TYR 52 HE1 TYR 52 -1.072 -5.596 0.801 401 HE2 TYR 52 HE2 TYR 52 -1.576 -9.557 2.230 402 HH TYR 52 HH TYR 52 -1.605 -6.324 3.118 403 H GLU 53 HN GLU 53 -4.430 -9.541 -4.244 404 HA GLU 53 HA GLU 53 -3.224 -10.168 -6.667 405 HB2 GLU 53 HB2 GLU 53 -5.095 -11.417 -5.587 406 HB3 GLU 53 HB1 GLU 53 -6.178 -10.105 -6.022 407 HG2 GLU 53 HG2 GLU 53 -6.482 -11.831 -7.620 408 HG3 GLU 53 HG1 GLU 53 -5.605 -10.526 -8.412 409 H PHE 54 HN PHE 54 -5.630 -7.749 -5.821 410 HA PHE 54 HA PHE 54 -6.168 -6.709 -8.345 411 HB2 PHE 54 HB2 PHE 54 -7.614 -6.087 -6.557 412 HB3 PHE 54 HB1 PHE 54 -6.270 -5.513 -5.581 413 HD1 PHE 54 HD1 PHE 54 -8.334 -4.768 -8.541 414 HD2 PHE 54 HD2 PHE 54 -5.480 -3.380 -5.753 415 HE1 PHE 54 HE1 PHE 54 -8.628 -2.461 -9.384 416 HE2 PHE 54 HE2 PHE 54 -5.758 -1.094 -6.569 417 HZ PHE 54 HZ PHE 54 -7.281 -0.622 -8.349 418 H LEU 55 HN LEU 55 -3.835 -5.637 -5.915 419 HA LEU 55 HA LEU 55 -2.663 -3.590 -7.349 420 HB2 LEU 55 HB2 LEU 55 -1.545 -5.397 -5.233 421 HB3 LEU 55 HB1 LEU 55 -0.618 -4.071 -5.892 422 HG LEU 55 HG LEU 55 -3.281 -3.750 -4.520 423 HD11 LEU 55 HD11 LEU 55 -0.487 -3.241 -3.512 424 HD12 LEU 55 HD12 LEU 55 -1.541 -4.559 -2.990 425 HD13 LEU 55 HD13 LEU 55 -1.986 -2.888 -2.657 426 HD21 LEU 55 HD21 LEU 55 -2.793 -1.990 -6.129 427 HD22 LEU 55 HD22 LEU 55 -1.193 -1.774 -5.420 428 HD23 LEU 55 HD23 LEU 55 -2.635 -1.393 -4.479 429 H GLY 56 HN GLY 56 -1.856 -7.014 -7.236 430 HA2 GLY 56 HA2 GLY 56 0.407 -6.993 -8.851 431 HA3 GLY 56 HA1 GLY 56 -0.680 -8.358 -8.615 432 H GLU 57 HN GLU 57 -3.049 -7.334 -9.722 433 HA GLU 57 HA GLU 57 -2.800 -7.703 -12.429 434 HB2 GLU 57 HB2 GLU 57 -4.857 -6.221 -10.835 435 HB3 GLU 57 HB1 GLU 57 -4.991 -6.561 -12.543 436 HG2 GLU 57 HG2 GLU 57 -4.972 -8.973 -12.018 437 HG3 GLU 57 HG1 GLU 57 -4.932 -8.558 -10.298 438 H GLN 58 HN GLN 58 -2.822 -4.746 -10.528 439 HA GLN 58 HA GLN 58 -2.940 -2.975 -12.773 440 HB2 GLN 58 HB2 GLN 58 -2.048 -2.369 -9.939 441 HB3 GLN 58 HB1 GLN 58 -2.560 -1.205 -11.156 442 HG2 GLN 58 HG2 GLN 58 -4.333 -3.327 -9.969 443 HG3 GLN 58 HG1 GLN 58 -4.264 -1.655 -9.426 444 HE21 GLN 58 HE21 GLN 58 -5.327 -3.820 -11.946 445 HE22 GLN 58 HE22 GLN 58 -6.313 -2.682 -12.758 446 H GLY 59 HN GLY 59 -0.354 -3.813 -10.477 447 HA2 GLY 59 HA2 GLY 59 1.715 -4.472 -11.922 448 HA3 GLY 59 HA1 GLY 59 1.605 -2.790 -12.414 449 H VAL 60 HN VAL 60 1.415 -4.577 -9.350 450 HA VAL 60 HA VAL 60 3.600 -2.947 -8.231 451 HB VAL 60 HB VAL 60 1.039 -3.537 -6.739 452 HG11 VAL 60 HG11 VAL 60 3.369 -1.764 -6.064 453 HG12 VAL 60 HG12 VAL 60 3.010 -3.339 -5.370 454 HG13 VAL 60 HG13 VAL 60 1.927 -1.982 -5.069 455 HG21 VAL 60 HG21 VAL 60 0.490 -1.900 -8.483 456 HG22 VAL 60 HG22 VAL 60 1.858 -0.911 -7.985 457 HG23 VAL 60 HG23 VAL 60 0.487 -1.118 -6.899 458 H GLU 61 HN GLU 61 5.000 -4.241 -7.313 459 HA GLU 61 HA GLU 61 4.283 -6.984 -6.704 460 HB2 GLU 61 HB2 GLU 61 6.892 -5.468 -6.609 461 HB3 GLU 61 HB1 GLU 61 6.718 -7.178 -6.225 462 HG2 GLU 61 HG2 GLU 61 5.976 -7.659 -8.393 463 HG3 GLU 61 HG1 GLU 61 5.967 -5.962 -8.856 464 H LEU 62 HN LEU 62 4.033 -7.710 -4.600 465 HA LEU 62 HA LEU 62 4.256 -5.610 -2.614 466 HB2 LEU 62 HB2 LEU 62 2.828 -8.239 -2.383 467 HB3 LEU 62 HB1 LEU 62 2.786 -6.917 -1.247 468 HG LEU 62 HG LEU 62 0.816 -6.711 -2.221 469 HD11 LEU 62 HD11 LEU 62 2.478 -4.989 -3.982 470 HD12 LEU 62 HD12 LEU 62 1.818 -4.592 -2.398 471 HD13 LEU 62 HD13 LEU 62 0.733 -4.851 -3.775 472 HD21 LEU 62 HD21 LEU 62 1.910 -7.496 -4.903 473 HD22 LEU 62 HD22 LEU 62 0.227 -7.040 -4.545 474 HD23 LEU 62 HD23 LEU 62 0.923 -8.465 -3.790 475 H ILE 63 HN ILE 63 6.040 -5.613 -1.539 476 HA ILE 63 HA ILE 63 7.379 -8.138 -0.940 477 HB ILE 63 HB ILE 63 9.232 -6.736 -0.017 478 HG12 ILE 63 HG12 ILE 63 7.638 -4.433 -1.135 479 HG13 ILE 63 HG11 ILE 63 7.935 -4.760 0.566 480 HG21 ILE 63 HG21 ILE 63 8.472 -5.996 -2.787 481 HG22 ILE 63 HG22 ILE 63 9.247 -7.537 -2.310 482 HG23 ILE 63 HG23 ILE 63 10.103 -5.992 -2.086 483 HD11 ILE 63 HD11 ILE 63 10.327 -4.411 0.212 484 HD12 ILE 63 HD12 ILE 63 9.395 -2.988 -0.263 485 HD13 ILE 63 HD13 ILE 63 10.030 -4.079 -1.496 486 H SER 64 HN SER 64 8.374 -8.113 1.373 487 HA SER 64 HA SER 64 6.181 -8.089 3.171 488 HB2 SER 64 HB2 SER 64 7.892 -9.771 3.261 489 HB3 SER 64 HB1 SER 64 9.115 -8.574 3.579 490 HG SER 64 HG SER 64 7.336 -9.720 5.335 491 H GLU 65 HN GLU 65 9.132 -6.906 4.261 492 HA GLU 65 HA GLU 65 9.309 -4.290 4.168 493 HB2 GLU 65 HB2 GLU 65 6.949 -4.212 5.322 494 HB3 GLU 65 HB1 GLU 65 7.811 -4.703 6.775 495 HG2 GLU 65 HG2 GLU 65 9.114 -2.750 6.814 496 HG3 GLU 65 HG1 GLU 65 8.665 -2.317 5.174 497 H ASN 66 HN ASN 66 9.629 -7.221 5.750 498 HA ASN 66 HA ASN 66 11.961 -6.611 7.325 499 HB2 ASN 66 HB2 ASN 66 10.420 -8.704 7.417 500 HB3 ASN 66 HB1 ASN 66 11.221 -9.229 5.959 501 HD21 ASN 66 HD21 ASN 66 13.912 -8.293 7.000 502 HD22 ASN 66 HD22 ASN 66 14.333 -9.484 8.168 503 H GLU 67 HN GLU 67 11.269 -6.312 4.201 504 HA GLU 67 HA GLU 67 14.000 -6.370 3.268 505 HB2 GLU 67 HB2 GLU 67 13.178 -7.327 1.125 506 HB3 GLU 67 HB1 GLU 67 12.925 -8.444 2.495 507 HG2 GLU 67 HG2 GLU 67 10.587 -7.635 2.542 508 HG3 GLU 67 HG1 GLU 67 10.971 -6.679 1.108 509 H GLU 68 HN GLU 68 14.169 -4.847 1.563 510 HA GLU 68 HA GLU 68 11.925 -3.258 0.818 511 HB2 GLU 68 HB2 GLU 68 12.762 -2.323 3.009 512 HB3 GLU 68 HB1 GLU 68 14.256 -1.884 2.161 513 HG2 GLU 68 HG2 GLU 68 11.614 -0.912 1.148 514 HG3 GLU 68 HG1 GLU 68 12.316 -0.137 2.557 515 H THR 69 HN THR 69 12.194 -2.944 -1.111 516 HA THR 69 HA THR 69 14.875 -3.061 -2.274 517 HB THR 69 HB THR 69 13.811 -4.492 -4.143 518 HG1 THR 69 HG1 THR 69 11.861 -5.359 -3.734 519 HG21 THR 69 HG21 THR 69 14.182 -6.585 -2.913 520 HG22 THR 69 HG22 THR 69 14.066 -5.720 -1.383 521 HG23 THR 69 HG23 THR 69 15.421 -5.412 -2.462 522 H GLU 70 HN GLU 70 12.836 -0.931 -1.868 523 HA GLU 70 HA GLU 70 12.423 -0.197 -4.656 524 HB2 GLU 70 HB2 GLU 70 11.098 1.732 -3.639 525 HB3 GLU 70 HB1 GLU 70 10.404 0.131 -3.471 526 HG2 GLU 70 HG2 GLU 70 11.037 -0.011 -1.222 527 HG3 GLU 70 HG1 GLU 70 12.071 1.398 -1.348 528 H ASP 71 HN ASP 71 14.398 0.311 -1.961 529 HA ASP 71 HA ASP 71 15.869 2.377 -3.459 530 HB2 ASP 71 HB2 ASP 71 14.680 3.249 -1.428 531 HB3 ASP 71 HB1 ASP 71 15.693 2.151 -0.485 532 H LEU 72 HN LEU 72 17.132 0.702 -4.312 533 HA LEU 72 HA LEU 72 18.970 -0.602 -2.378 534 HB2 LEU 72 HB2 LEU 72 18.170 -1.517 -5.142 535 HB3 LEU 72 HB1 LEU 72 19.339 -2.314 -4.115 536 HG LEU 72 HG LEU 72 16.398 -2.037 -3.509 537 HD11 LEU 72 HD11 LEU 72 16.293 -4.419 -3.995 538 HD12 LEU 72 HD12 LEU 72 18.007 -4.428 -4.397 539 HD13 LEU 72 HD13 LEU 72 16.870 -3.525 -5.397 540 HD21 LEU 72 HD21 LEU 72 17.741 -2.131 -1.481 541 HD22 LEU 72 HD22 LEU 72 18.605 -3.538 -2.093 542 HD23 LEU 72 HD23 LEU 72 16.890 -3.659 -1.708 543 H GLU 73 HN GLU 73 18.828 1.931 -4.147 544 HA GLU 73 HA GLU 73 21.240 1.610 -5.736 545 HB2 GLU 73 HB2 GLU 73 19.174 3.803 -5.580 546 HB3 GLU 73 HB1 GLU 73 20.563 3.816 -6.663 547 HG2 GLU 73 HG2 GLU 73 19.753 1.947 -7.875 548 HG3 GLU 73 HG1 GLU 73 18.529 1.605 -6.663 549 H HIS 74 HN HIS 74 23.120 2.291 -4.989 550 HA HIS 74 HA HIS 74 23.232 3.932 -2.579 551 HB2 HIS 74 HB2 HIS 74 25.416 2.440 -4.076 552 HB3 HIS 74 HB1 HIS 74 25.681 3.393 -2.626 553 HD1 HIS 74 HD1 HIS 74 25.504 2.117 -0.444 554 HD2 HIS 74 HD2 HIS 74 23.667 0.132 -3.605 555 HE1 HIS 74 HE1 HIS 74 24.821 -0.133 0.441 556 H HIS 75 HN HIS 75 23.141 6.038 -2.955 557 HA HIS 75 HA HIS 75 24.803 7.123 -5.066 558 HB2 HIS 75 HB2 HIS 75 22.915 8.737 -5.649 559 HB3 HIS 75 HB1 HIS 75 22.721 7.079 -6.184 560 HD1 HIS 75 HD1 HIS 75 21.288 9.553 -3.696 561 HD2 HIS 75 HD2 HIS 75 20.569 5.719 -5.119 562 HE1 HIS 75 HE1 HIS 75 19.033 8.897 -2.824 563 H HIS 76 HN HIS 76 25.561 9.211 -4.719 564 HA HIS 76 HA HIS 76 25.386 9.975 -1.927 565 HB2 HIS 76 HB2 HIS 76 27.468 11.350 -2.353 566 HB3 HIS 76 HB1 HIS 76 27.679 9.622 -2.529 567 HD1 HIS 76 HD1 HIS 76 28.367 8.769 -4.914 568 HD2 HIS 76 HD2 HIS 76 27.795 12.873 -4.678 569 HE1 HIS 76 HE1 HIS 76 29.314 9.734 -7.025 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -9.367 10.887 -9.583 2 H2 ALA 1 HT2 ALA 1 -8.873 11.134 -8.004 3 H3 ALA 1 HT3 ALA 1 -10.279 11.875 -8.589 4 HA ALA 1 HA ALA 1 -11.358 9.794 -8.832 5 HB1 ALA 1 HB1 ALA 1 -10.298 7.732 -8.101 6 HB2 ALA 1 HB2 ALA 1 -8.827 8.614 -7.707 7 HB3 ALA 1 HB3 ALA 1 -9.365 8.503 -9.383 8 H ASP 2 HN ASP 2 -10.429 11.954 -6.656 9 HA ASP 2 HA ASP 2 -10.993 10.482 -4.260 10 HB2 ASP 2 HB2 ASP 2 -10.277 13.351 -4.728 11 HB3 ASP 2 HB1 ASP 2 -10.873 12.795 -3.171 12 H LYS 3 HN LYS 3 -12.809 10.089 -3.579 13 HA LYS 3 HA LYS 3 -14.864 12.123 -3.689 14 HB2 LYS 3 HB2 LYS 3 -16.532 10.064 -3.860 15 HB3 LYS 3 HB1 LYS 3 -15.857 10.791 -5.298 16 HG2 LYS 3 HG2 LYS 3 -15.793 8.415 -5.547 17 HG3 LYS 3 HG1 LYS 3 -14.145 8.993 -5.335 18 HD2 LYS 3 HD2 LYS 3 -14.306 8.340 -2.934 19 HD3 LYS 3 HD1 LYS 3 -15.880 7.621 -3.281 20 HE2 LYS 3 HE2 LYS 3 -14.077 5.942 -3.322 21 HE3 LYS 3 HE1 LYS 3 -14.850 6.112 -4.901 22 HZ1 LYS 3 HZ1 LYS 3 -13.004 7.416 -5.675 23 HZ2 LYS 3 HZ2 LYS 3 -12.360 6.028 -4.993 24 HZ3 LYS 3 HZ3 LYS 3 -12.318 7.474 -4.146 25 H GLN 4 HN GLN 4 -12.858 11.199 -1.819 26 HA GLN 4 HA GLN 4 -14.156 9.941 0.387 27 HB2 GLN 4 HB2 GLN 4 -12.222 10.583 1.698 28 HB3 GLN 4 HB1 GLN 4 -11.670 10.004 0.136 29 HG2 GLN 4 HG2 GLN 4 -11.221 12.211 -0.606 30 HG3 GLN 4 HG1 GLN 4 -11.999 12.910 0.811 31 HE21 GLN 4 HE21 GLN 4 -10.986 12.705 2.827 32 HE22 GLN 4 HE22 GLN 4 -9.293 12.427 2.942 33 H THR 5 HN THR 5 -14.473 11.168 2.507 34 HA THR 5 HA THR 5 -15.978 13.500 2.016 35 HB THR 5 HB THR 5 -16.213 13.362 4.555 36 HG1 THR 5 HG1 THR 5 -14.987 12.065 5.533 37 HG21 THR 5 HG21 THR 5 -16.890 10.909 2.934 38 HG22 THR 5 HG22 THR 5 -17.855 12.384 3.012 39 HG23 THR 5 HG23 THR 5 -17.655 11.381 4.450 40 H HIS 6 HN HIS 6 -15.512 15.541 3.130 41 HA HIS 6 HA HIS 6 -12.710 16.088 2.883 42 HB2 HIS 6 HB2 HIS 6 -15.027 17.943 3.442 43 HB3 HIS 6 HB1 HIS 6 -13.352 18.491 3.403 44 HD1 HIS 6 HD1 HIS 6 -15.929 19.043 1.347 45 HD2 HIS 6 HD2 HIS 6 -12.411 16.943 0.696 46 HE1 HIS 6 HE1 HIS 6 -15.578 19.017 -1.147 47 H GLU 7 HN GLU 7 -11.672 15.121 4.353 48 HA GLU 7 HA GLU 7 -11.156 16.296 6.788 49 HB2 GLU 7 HB2 GLU 7 -11.850 14.386 8.251 50 HB3 GLU 7 HB1 GLU 7 -13.207 15.271 7.564 51 HG2 GLU 7 HG2 GLU 7 -13.239 13.593 5.773 52 HG3 GLU 7 HG1 GLU 7 -12.120 12.625 6.728 53 H THR 8 HN THR 8 -9.704 14.373 8.025 54 HA THR 8 HA THR 8 -7.833 13.653 5.939 55 HB THR 8 HB THR 8 -7.469 13.194 8.918 56 HG1 THR 8 HG1 THR 8 -6.677 15.299 9.014 57 HG21 THR 8 HG21 THR 8 -5.511 13.859 6.698 58 HG22 THR 8 HG22 THR 8 -5.740 12.262 7.412 59 HG23 THR 8 HG23 THR 8 -5.092 13.579 8.388 60 H GLU 9 HN GLU 9 -10.392 12.295 6.951 61 HA GLU 9 HA GLU 9 -9.474 9.525 7.228 62 HB2 GLU 9 HB2 GLU 9 -12.074 10.907 7.668 63 HB3 GLU 9 HB1 GLU 9 -11.902 9.151 7.770 64 HG2 GLU 9 HG2 GLU 9 -10.399 11.128 9.472 65 HG3 GLU 9 HG1 GLU 9 -11.913 10.364 9.951 66 H LEU 10 HN LEU 10 -10.068 7.975 5.749 67 HA LEU 10 HA LEU 10 -11.530 8.923 3.407 68 HB2 LEU 10 HB2 LEU 10 -9.392 6.892 3.127 69 HB3 LEU 10 HB1 LEU 10 -10.055 7.989 1.948 70 HG LEU 10 HG LEU 10 -8.814 9.791 3.436 71 HD11 LEU 10 HD11 LEU 10 -6.704 8.882 4.295 72 HD12 LEU 10 HD12 LEU 10 -7.299 7.256 3.913 73 HD13 LEU 10 HD13 LEU 10 -8.126 8.224 5.128 74 HD21 LEU 10 HD21 LEU 10 -7.456 7.937 1.514 75 HD22 LEU 10 HD22 LEU 10 -6.956 9.597 1.901 76 HD23 LEU 10 HD23 LEU 10 -8.510 9.289 1.088 77 H THR 11 HN THR 11 -11.930 6.813 2.026 78 HA THR 11 HA THR 11 -13.213 4.936 3.835 79 HB THR 11 HB THR 11 -14.753 4.491 2.014 80 HG1 THR 11 HG1 THR 11 -14.309 5.295 -0.067 81 HG21 THR 11 HG21 THR 11 -14.020 7.408 1.821 82 HG22 THR 11 HG22 THR 11 -15.072 6.735 3.078 83 HG23 THR 11 HG23 THR 11 -15.579 6.712 1.380 84 H PHE 12 HN PHE 12 -13.362 2.658 2.855 85 HA PHE 12 HA PHE 12 -10.766 1.644 2.678 86 HB2 PHE 12 HB2 PHE 12 -12.596 0.257 3.492 87 HB3 PHE 12 HB1 PHE 12 -13.405 0.353 1.937 88 HD1 PHE 12 HD1 PHE 12 -13.483 -1.762 1.068 89 HD2 PHE 12 HD2 PHE 12 -9.867 -0.413 2.827 90 HE1 PHE 12 HE1 PHE 12 -12.355 -3.824 0.324 91 HE2 PHE 12 HE2 PHE 12 -8.738 -2.464 2.095 92 HZ PHE 12 HZ PHE 12 -9.957 -4.159 0.849 93 H ASP 13 HN ASP 13 -13.117 2.373 0.328 94 HA ASP 13 HA ASP 13 -11.692 1.590 -1.972 95 HB2 ASP 13 HB2 ASP 13 -13.908 3.597 -1.676 96 HB3 ASP 13 HB1 ASP 13 -13.141 3.281 -3.229 97 H GLN 14 HN GLN 14 -11.618 4.431 -0.175 98 HA GLN 14 HA GLN 14 -10.070 5.976 -2.061 99 HB2 GLN 14 HB2 GLN 14 -10.868 6.355 0.777 100 HB3 GLN 14 HB1 GLN 14 -9.742 7.465 -0.008 101 HG2 GLN 14 HG2 GLN 14 -12.393 6.804 -1.219 102 HG3 GLN 14 HG1 GLN 14 -12.249 8.062 0.006 103 HE21 GLN 14 HE21 GLN 14 -9.749 8.997 -0.720 104 HE22 GLN 14 HE22 GLN 14 -9.810 9.812 -2.225 105 H VAL 15 HN VAL 15 -9.451 4.027 0.720 106 HA VAL 15 HA VAL 15 -6.754 4.813 0.845 107 HB VAL 15 HB VAL 15 -8.285 2.668 2.320 108 HG11 VAL 15 HG11 VAL 15 -6.104 2.445 3.644 109 HG12 VAL 15 HG12 VAL 15 -5.367 3.469 2.370 110 HG13 VAL 15 HG13 VAL 15 -5.979 1.892 1.966 111 HG21 VAL 15 HG21 VAL 15 -7.768 4.110 4.248 112 HG22 VAL 15 HG22 VAL 15 -8.673 4.959 2.996 113 HG23 VAL 15 HG23 VAL 15 -6.933 5.222 3.166 114 H LYS 16 HN LYS 16 -8.538 2.022 -0.493 115 HA LYS 16 HA LYS 16 -6.411 0.657 -1.433 116 HB2 LYS 16 HB2 LYS 16 -9.221 1.114 -2.237 117 HB3 LYS 16 HB1 LYS 16 -8.193 0.267 -3.357 118 HG2 LYS 16 HG2 LYS 16 -7.717 -1.385 -1.507 119 HG3 LYS 16 HG1 LYS 16 -8.887 -0.519 -0.515 120 HD2 LYS 16 HD2 LYS 16 -9.502 -1.854 -3.155 121 HD3 LYS 16 HD1 LYS 16 -9.828 -2.547 -1.565 122 HE2 LYS 16 HE2 LYS 16 -11.308 -0.608 -1.079 123 HE3 LYS 16 HE1 LYS 16 -10.961 -0.019 -2.705 124 HZ1 LYS 16 HZ1 LYS 16 -13.096 -1.200 -2.520 125 HZ2 LYS 16 HZ2 LYS 16 -12.271 -2.629 -2.160 126 HZ3 LYS 16 HZ3 LYS 16 -12.057 -1.868 -3.649 127 H GLU 17 HN GLU 17 -8.210 3.323 -2.929 128 HA GLU 17 HA GLU 17 -6.551 3.423 -5.148 129 HB2 GLU 17 HB2 GLU 17 -8.393 5.484 -3.980 130 HB3 GLU 17 HB1 GLU 17 -7.540 5.707 -5.513 131 HG2 GLU 17 HG2 GLU 17 -8.596 3.754 -6.434 132 HG3 GLU 17 HG1 GLU 17 -9.371 3.401 -4.898 133 H GLN 18 HN GLN 18 -5.940 4.824 -1.922 134 HA GLN 18 HA GLN 18 -4.021 6.528 -2.938 135 HB2 GLN 18 HB2 GLN 18 -3.402 7.103 -0.664 136 HB3 GLN 18 HB1 GLN 18 -5.131 6.772 -0.712 137 HG2 GLN 18 HG2 GLN 18 -4.824 4.677 0.309 138 HG3 GLN 18 HG1 GLN 18 -3.076 4.866 0.241 139 HE21 GLN 18 HE21 GLN 18 -5.990 6.089 1.758 140 HE22 GLN 18 HE22 GLN 18 -5.172 6.774 3.109 141 H LEU 19 HN LEU 19 -3.886 3.490 -1.501 142 HA LEU 19 HA LEU 19 -1.134 3.035 -1.582 143 HB2 LEU 19 HB2 LEU 19 -3.578 1.444 -1.335 144 HB3 LEU 19 HB1 LEU 19 -2.027 0.663 -1.391 145 HG LEU 19 HG LEU 19 -2.916 2.740 0.624 146 HD11 LEU 19 HD11 LEU 19 -4.096 0.637 0.849 147 HD12 LEU 19 HD12 LEU 19 -3.018 0.935 2.217 148 HD13 LEU 19 HD13 LEU 19 -2.551 -0.208 0.955 149 HD21 LEU 19 HD21 LEU 19 -0.890 2.072 1.885 150 HD22 LEU 19 HD22 LEU 19 -0.509 2.830 0.346 151 HD23 LEU 19 HD23 LEU 19 -0.397 1.075 0.517 152 H THR 20 HN THR 20 -3.751 2.281 -3.794 153 HA THR 20 HA THR 20 -2.421 0.681 -5.602 154 HB THR 20 HB THR 20 -4.611 2.713 -5.895 155 HG1 THR 20 HG1 THR 20 -4.886 0.631 -4.766 156 HG21 THR 20 HG21 THR 20 -3.586 0.865 -8.067 157 HG22 THR 20 HG22 THR 20 -3.574 2.645 -8.037 158 HG23 THR 20 HG23 THR 20 -5.105 1.780 -8.126 159 H GLU 21 HN GLU 21 -2.685 4.208 -5.494 160 HA GLU 21 HA GLU 21 -1.381 4.732 -7.938 161 HB2 GLU 21 HB2 GLU 21 -2.884 6.194 -6.761 162 HB3 GLU 21 HB1 GLU 21 -1.707 6.444 -5.477 163 HG2 GLU 21 HG2 GLU 21 -0.166 7.317 -7.379 164 HG3 GLU 21 HG1 GLU 21 -1.657 7.425 -8.313 165 H SER 22 HN SER 22 -0.327 4.540 -4.672 166 HA SER 22 HA SER 22 2.307 5.546 -5.006 167 HB2 SER 22 HB2 SER 22 1.285 3.703 -2.838 168 HB3 SER 22 HB1 SER 22 2.752 4.682 -2.762 169 HG SER 22 HG SER 22 0.996 6.395 -3.377 170 H GLY 23 HN GLY 23 1.024 2.290 -4.844 171 HA2 GLY 23 HA2 GLY 23 3.495 0.927 -5.194 172 HA3 GLY 23 HA1 GLY 23 1.896 0.245 -5.500 173 H LYS 24 HN LYS 24 1.103 2.177 -7.409 174 HA LYS 24 HA LYS 24 2.124 1.054 -9.726 175 HB2 LYS 24 HB2 LYS 24 0.512 3.490 -9.164 176 HB3 LYS 24 HB1 LYS 24 0.886 2.945 -10.795 177 HG2 LYS 24 HG2 LYS 24 -0.344 1.173 -8.748 178 HG3 LYS 24 HG1 LYS 24 -1.374 2.201 -9.717 179 HD2 LYS 24 HD2 LYS 24 0.578 0.030 -10.705 180 HD3 LYS 24 HD1 LYS 24 -1.170 -0.121 -10.603 181 HE2 LYS 24 HE2 LYS 24 -1.529 1.424 -12.263 182 HE3 LYS 24 HE1 LYS 24 0.112 2.025 -12.254 183 HZ1 LYS 24 HZ1 LYS 24 -0.775 -0.637 -13.296 184 HZ2 LYS 24 HZ2 LYS 24 0.836 -0.144 -13.150 185 HZ3 LYS 24 HZ3 LYS 24 -0.185 0.670 -14.163 186 H LYS 25 HN LYS 25 3.006 3.976 -7.988 187 HA LYS 25 HA LYS 25 4.627 4.965 -10.093 188 HB2 LYS 25 HB2 LYS 25 4.389 5.708 -7.186 189 HB3 LYS 25 HB1 LYS 25 5.368 6.595 -8.357 190 HG2 LYS 25 HG2 LYS 25 3.351 7.096 -9.650 191 HG3 LYS 25 HG1 LYS 25 2.380 6.180 -8.504 192 HD2 LYS 25 HD2 LYS 25 2.151 8.523 -8.015 193 HD3 LYS 25 HD1 LYS 25 3.081 7.761 -6.724 194 HE2 LYS 25 HE2 LYS 25 5.150 8.598 -7.717 195 HE3 LYS 25 HE1 LYS 25 4.235 9.327 -9.035 196 HZ1 LYS 25 HZ1 LYS 25 3.108 10.721 -7.385 197 HZ2 LYS 25 HZ2 LYS 25 4.766 10.954 -7.376 198 HZ3 LYS 25 HZ3 LYS 25 4.053 10.039 -6.164 199 H ARG 26 HN ARG 26 5.122 3.104 -7.241 200 HA ARG 26 HA ARG 26 8.023 3.235 -7.408 201 HB2 ARG 26 HB2 ARG 26 6.368 1.418 -5.698 202 HB3 ARG 26 HB1 ARG 26 8.070 1.782 -5.511 203 HG2 ARG 26 HG2 ARG 26 7.497 4.076 -4.892 204 HG3 ARG 26 HG1 ARG 26 5.781 3.691 -5.104 205 HD2 ARG 26 HD2 ARG 26 6.089 1.811 -3.541 206 HD3 ARG 26 HD1 ARG 26 7.691 2.444 -3.148 207 HE ARG 26 HE ARG 26 5.866 4.470 -2.775 208 HH11 ARG 26 HH11 ARG 26 6.926 1.452 -1.287 209 HH12 ARG 26 HH12 ARG 26 5.851 1.545 0.034 210 HH21 ARG 26 HH21 ARG 26 4.499 4.688 -0.847 211 HH22 ARG 26 HH22 ARG 26 4.502 3.396 0.305 212 H GLY 27 HN GLY 27 5.524 0.802 -7.825 213 HA2 GLY 27 HA2 GLY 27 5.582 -0.958 -9.328 214 HA3 GLY 27 HA1 GLY 27 7.356 -0.954 -9.278 215 H VAL 28 HN VAL 28 6.020 -0.396 -6.270 216 HA VAL 28 HA VAL 28 5.733 -3.101 -5.412 217 HB VAL 28 HB VAL 28 8.185 -2.758 -5.847 218 HG11 VAL 28 HG11 VAL 28 8.423 -0.522 -5.141 219 HG12 VAL 28 HG12 VAL 28 9.508 -1.560 -4.196 220 HG13 VAL 28 HG13 VAL 28 7.999 -0.955 -3.481 221 HG21 VAL 28 HG21 VAL 28 8.895 -3.855 -3.768 222 HG22 VAL 28 HG22 VAL 28 7.421 -4.516 -4.509 223 HG23 VAL 28 HG23 VAL 28 7.295 -3.447 -3.103 224 H LEU 29 HN LEU 29 5.187 -3.237 -3.297 225 HA LEU 29 HA LEU 29 5.037 -0.878 -1.640 226 HB2 LEU 29 HB2 LEU 29 2.717 -2.605 -2.444 227 HB3 LEU 29 HB1 LEU 29 2.701 -1.685 -0.969 228 HG LEU 29 HG LEU 29 2.935 -0.481 -3.718 229 HD11 LEU 29 HD11 LEU 29 0.581 0.076 -3.455 230 HD12 LEU 29 HD12 LEU 29 0.560 -0.718 -1.881 231 HD13 LEU 29 HD13 LEU 29 0.797 -1.675 -3.346 232 HD21 LEU 29 HD21 LEU 29 2.310 1.562 -2.557 233 HD22 LEU 29 HD22 LEU 29 3.834 0.907 -1.938 234 HD23 LEU 29 HD23 LEU 29 2.335 0.695 -1.018 235 H THR 30 HN THR 30 5.380 -1.591 0.536 236 HA THR 30 HA THR 30 5.797 -4.373 0.962 237 HB THR 30 HB THR 30 5.876 -3.788 3.411 238 HG1 THR 30 HG1 THR 30 5.547 -1.129 2.473 239 HG21 THR 30 HG21 THR 30 7.644 -2.228 1.553 240 HG22 THR 30 HG22 THR 30 7.913 -3.831 2.297 241 HG23 THR 30 HG23 THR 30 7.909 -2.388 3.293 242 H TYR 31 HN TYR 31 4.473 -5.859 1.855 243 HA TYR 31 HA TYR 31 1.709 -5.785 1.578 244 HB2 TYR 31 HB2 TYR 31 3.347 -7.433 3.525 245 HB3 TYR 31 HB1 TYR 31 1.623 -7.645 3.318 246 HD1 TYR 31 HD1 TYR 31 0.862 -8.269 0.894 247 HD2 TYR 31 HD2 TYR 31 4.854 -8.735 2.271 248 HE1 TYR 31 HE1 TYR 31 1.258 -9.975 -0.823 249 HE2 TYR 31 HE2 TYR 31 5.265 -10.418 0.556 250 HH TYR 31 HH TYR 31 3.213 -10.957 -2.062 251 H GLU 32 HN GLU 32 3.664 -4.920 4.342 252 HA GLU 32 HA GLU 32 1.348 -4.651 5.963 253 HB2 GLU 32 HB2 GLU 32 3.389 -5.662 6.840 254 HB3 GLU 32 HB1 GLU 32 4.200 -4.108 6.719 255 HG2 GLU 32 HG2 GLU 32 2.995 -3.195 8.447 256 HG3 GLU 32 HG1 GLU 32 1.680 -4.364 8.288 257 H GLU 33 HN GLU 33 3.277 -2.292 4.122 258 HA GLU 33 HA GLU 33 2.282 -0.107 5.705 259 HB2 GLU 33 HB2 GLU 33 3.125 1.385 4.016 260 HB3 GLU 33 HB1 GLU 33 4.302 0.099 4.186 261 HG2 GLU 33 HG2 GLU 33 3.350 -0.968 2.157 262 HG3 GLU 33 HG1 GLU 33 2.284 0.428 1.983 263 H ILE 34 HN ILE 34 1.193 -2.055 3.173 264 HA ILE 34 HA ILE 34 -1.030 -0.576 2.336 265 HB ILE 34 HB ILE 34 -0.442 -3.542 2.300 266 HG12 ILE 34 HG12 ILE 34 -0.356 -1.455 0.120 267 HG13 ILE 34 HG11 ILE 34 1.046 -2.076 0.981 268 HG21 ILE 34 HG21 ILE 34 -2.287 -3.816 0.760 269 HG22 ILE 34 HG22 ILE 34 -2.628 -2.094 0.826 270 HG23 ILE 34 HG23 ILE 34 -2.884 -3.084 2.258 271 HD11 ILE 34 HD11 ILE 34 0.613 -4.292 0.079 272 HD12 ILE 34 HD12 ILE 34 0.782 -3.086 -1.200 273 HD13 ILE 34 HD13 ILE 34 -0.813 -3.670 -0.753 274 H ALA 35 HN ALA 35 -0.466 -2.947 4.928 275 HA ALA 35 HA ALA 35 -3.138 -3.248 5.663 276 HB1 ALA 35 HB1 ALA 35 -1.465 -4.975 6.058 277 HB2 ALA 35 HB2 ALA 35 -2.240 -4.474 7.559 278 HB3 ALA 35 HB3 ALA 35 -0.615 -3.903 7.173 279 H GLU 36 HN GLU 36 -0.594 -1.029 6.381 280 HA GLU 36 HA GLU 36 -1.307 -0.166 8.939 281 HB2 GLU 36 HB2 GLU 36 0.896 0.205 7.829 282 HB3 GLU 36 HB1 GLU 36 0.138 1.338 6.737 283 HG2 GLU 36 HG2 GLU 36 0.208 1.776 9.722 284 HG3 GLU 36 HG1 GLU 36 1.518 2.266 8.666 285 H ARG 37 HN ARG 37 -2.094 1.244 5.774 286 HA ARG 37 HA ARG 37 -3.733 3.254 6.836 287 HB2 ARG 37 HB2 ARG 37 -3.747 2.009 4.087 288 HB3 ARG 37 HB1 ARG 37 -4.325 3.612 4.516 289 HG2 ARG 37 HG2 ARG 37 -1.464 2.709 4.719 290 HG3 ARG 37 HG1 ARG 37 -2.136 3.624 3.374 291 HD2 ARG 37 HD2 ARG 37 -2.531 5.526 4.719 292 HD3 ARG 37 HD1 ARG 37 -2.308 4.593 6.205 293 HE ARG 37 HE ARG 37 -0.110 4.766 6.057 294 HH11 ARG 37 HH11 ARG 37 -1.445 6.072 2.999 295 HH12 ARG 37 HH12 ARG 37 0.024 6.728 2.468 296 HH21 ARG 37 HH21 ARG 37 1.926 5.724 5.278 297 HH22 ARG 37 HH22 ARG 37 1.988 6.534 3.786 298 H MET 38 HN MET 38 -4.197 -0.087 6.146 299 HA MET 38 HA MET 38 -7.063 0.116 5.926 300 HB2 MET 38 HB2 MET 38 -5.370 -2.380 6.032 301 HB3 MET 38 HB1 MET 38 -7.081 -2.283 5.711 302 HG2 MET 38 HG2 MET 38 -4.946 -1.071 4.005 303 HG3 MET 38 HG1 MET 38 -5.820 -2.569 3.678 304 HE1 MET 38 HE1 MET 38 -6.624 -1.778 1.278 305 HE2 MET 38 HE2 MET 38 -5.577 -0.399 1.572 306 HE3 MET 38 HE3 MET 38 -7.224 -0.142 0.980 307 H SER 39 HN SER 39 -4.943 -0.005 8.544 308 HA SER 39 HA SER 39 -6.323 -1.648 10.357 309 HB2 SER 39 HB2 SER 39 -4.814 0.914 10.947 310 HB3 SER 39 HB1 SER 39 -5.205 -0.349 12.113 311 HG SER 39 HG SER 39 -3.925 -1.756 10.985 312 H SER 40 HN SER 40 -6.951 1.515 9.153 313 HA SER 40 HA SER 40 -8.767 2.566 10.942 314 HB2 SER 40 HB2 SER 40 -8.750 2.792 7.948 315 HB3 SER 40 HB1 SER 40 -9.319 4.002 9.099 316 HG SER 40 HG SER 40 -6.938 3.856 8.100 317 H PHE 41 HN PHE 41 -9.119 0.127 8.421 318 HA PHE 41 HA PHE 41 -12.046 0.035 8.792 319 HB2 PHE 41 HB2 PHE 41 -10.340 -1.181 6.677 320 HB3 PHE 41 HB1 PHE 41 -12.082 -1.011 6.590 321 HD1 PHE 41 HD1 PHE 41 -12.796 1.593 6.983 322 HD2 PHE 41 HD2 PHE 41 -9.082 0.169 5.521 323 HE1 PHE 41 HE1 PHE 41 -12.352 3.787 5.972 324 HE2 PHE 41 HE2 PHE 41 -8.630 2.327 4.510 325 HZ PHE 41 HZ PHE 41 -10.262 4.148 4.737 326 H GLU 42 HN GLU 42 -9.271 -1.461 9.755 327 HA GLU 42 HA GLU 42 -8.662 -3.423 10.693 328 HB2 GLU 42 HB2 GLU 42 -11.647 -3.754 11.023 329 HB3 GLU 42 HB1 GLU 42 -10.436 -4.772 11.792 330 HG2 GLU 42 HG2 GLU 42 -9.585 -2.846 13.014 331 HG3 GLU 42 HG1 GLU 42 -10.765 -1.807 12.221 332 H ILE 43 HN ILE 43 -8.757 -3.395 7.950 333 HA ILE 43 HA ILE 43 -10.129 -5.578 6.749 334 HB ILE 43 HB ILE 43 -7.589 -4.220 5.846 335 HG12 ILE 43 HG12 ILE 43 -9.447 -2.701 6.144 336 HG13 ILE 43 HG11 ILE 43 -8.992 -2.835 4.446 337 HG21 ILE 43 HG21 ILE 43 -9.520 -5.881 4.281 338 HG22 ILE 43 HG22 ILE 43 -7.879 -6.345 4.733 339 HG23 ILE 43 HG23 ILE 43 -8.151 -4.999 3.610 340 HD11 ILE 43 HD11 ILE 43 -10.826 -4.371 4.092 341 HD12 ILE 43 HD12 ILE 43 -11.399 -2.797 4.668 342 HD13 ILE 43 HD13 ILE 43 -11.338 -4.187 5.772 343 H GLU 44 HN GLU 44 -9.768 -7.541 6.711 344 HA GLU 44 HA GLU 44 -7.773 -8.838 8.384 345 HB2 GLU 44 HB2 GLU 44 -9.728 -10.088 6.472 346 HB3 GLU 44 HB1 GLU 44 -8.934 -10.856 7.832 347 HG2 GLU 44 HG2 GLU 44 -10.163 -9.402 9.366 348 HG3 GLU 44 HG1 GLU 44 -10.968 -8.653 7.992 349 H SER 45 HN SER 45 -6.399 -10.483 7.690 350 HA SER 45 HA SER 45 -4.677 -9.844 5.645 351 HB2 SER 45 HB2 SER 45 -5.238 -12.431 7.037 352 HB3 SER 45 HB1 SER 45 -3.751 -12.107 6.106 353 HG SER 45 HG SER 45 -3.089 -10.784 7.637 354 H ASP 46 HN ASP 46 -7.497 -11.987 5.655 355 HA ASP 46 HA ASP 46 -7.139 -13.253 3.172 356 HB2 ASP 46 HB2 ASP 46 -9.687 -12.528 4.634 357 HB3 ASP 46 HB1 ASP 46 -9.587 -13.645 3.280 358 H GLN 47 HN GLN 47 -8.933 -10.395 4.116 359 HA GLN 47 HA GLN 47 -9.901 -9.663 1.567 360 HB2 GLN 47 HB2 GLN 47 -9.252 -7.875 3.874 361 HB3 GLN 47 HB1 GLN 47 -10.352 -7.511 2.556 362 HG2 GLN 47 HG2 GLN 47 -11.801 -9.361 3.373 363 HG3 GLN 47 HG1 GLN 47 -10.703 -9.532 4.737 364 HE21 GLN 47 HE21 GLN 47 -13.011 -7.462 3.234 365 HE22 GLN 47 HE22 GLN 47 -13.234 -6.412 4.576 366 H MET 48 HN MET 48 -7.037 -8.848 3.433 367 HA MET 48 HA MET 48 -5.994 -6.957 1.765 368 HB2 MET 48 HB2 MET 48 -4.653 -8.845 3.665 369 HB3 MET 48 HB1 MET 48 -3.700 -7.757 2.680 370 HG2 MET 48 HG2 MET 48 -5.902 -6.740 4.452 371 HG3 MET 48 HG1 MET 48 -4.303 -7.085 5.087 372 HE1 MET 48 HE1 MET 48 -6.400 -4.882 2.563 373 HE2 MET 48 HE2 MET 48 -5.089 -5.331 1.440 374 HE3 MET 48 HE3 MET 48 -5.215 -3.695 2.034 375 H ASP 49 HN ASP 49 -5.622 -10.500 1.633 376 HA ASP 49 HA ASP 49 -3.739 -10.581 -0.476 377 HB2 ASP 49 HB2 ASP 49 -4.295 -12.573 0.872 378 HB3 ASP 49 HB1 ASP 49 -5.878 -12.640 0.111 379 H GLU 50 HN GLU 50 -7.203 -10.460 -0.478 380 HA GLU 50 HA GLU 50 -7.613 -10.727 -3.201 381 HB2 GLU 50 HB2 GLU 50 -9.433 -10.810 -1.556 382 HB3 GLU 50 HB1 GLU 50 -9.188 -9.117 -1.180 383 HG2 GLU 50 HG2 GLU 50 -11.145 -9.432 -2.575 384 HG3 GLU 50 HG1 GLU 50 -9.912 -8.502 -3.411 385 H TYR 51 HN TYR 51 -6.882 -7.882 -1.240 386 HA TYR 51 HA TYR 51 -6.902 -6.082 -3.436 387 HB2 TYR 51 HB2 TYR 51 -7.231 -5.294 -1.155 388 HB3 TYR 51 HB1 TYR 51 -5.593 -5.778 -0.737 389 HD1 TYR 51 HD1 TYR 51 -6.915 -3.874 -3.738 390 HD2 TYR 51 HD2 TYR 51 -4.371 -3.888 -0.301 391 HE1 TYR 51 HE1 TYR 51 -6.034 -1.698 -4.364 392 HE2 TYR 51 HE2 TYR 51 -3.486 -1.687 -0.979 393 HH TYR 51 HH TYR 51 -3.253 -0.422 -2.991 394 H TYR 52 HN TYR 52 -4.424 -8.081 -1.973 395 HA TYR 52 HA TYR 52 -2.213 -6.876 -3.238 396 HB2 TYR 52 HB2 TYR 52 -2.483 -9.744 -2.281 397 HB3 TYR 52 HB1 TYR 52 -0.974 -9.017 -2.794 398 HD1 TYR 52 HD1 TYR 52 -1.922 -10.250 -0.030 399 HD2 TYR 52 HD2 TYR 52 -1.411 -6.289 -1.484 400 HE1 TYR 52 HE1 TYR 52 -1.589 -9.456 2.258 401 HE2 TYR 52 HE2 TYR 52 -1.068 -5.494 0.773 402 HH TYR 52 HH TYR 52 -1.599 -6.158 3.075 403 H GLU 53 HN GLU 53 -4.260 -9.574 -4.142 404 HA GLU 53 HA GLU 53 -3.085 -10.288 -6.545 405 HB2 GLU 53 HB2 GLU 53 -4.836 -11.485 -5.193 406 HB3 GLU 53 HB1 GLU 53 -6.004 -10.328 -5.799 407 HG2 GLU 53 HG2 GLU 53 -5.638 -11.114 -8.058 408 HG3 GLU 53 HG1 GLU 53 -4.413 -12.243 -7.474 409 H PHE 54 HN PHE 54 -5.494 -7.896 -5.751 410 HA PHE 54 HA PHE 54 -6.142 -6.978 -8.321 411 HB2 PHE 54 HB2 PHE 54 -7.552 -6.287 -6.570 412 HB3 PHE 54 HB1 PHE 54 -6.219 -5.690 -5.597 413 HD1 PHE 54 HD1 PHE 54 -5.369 -3.543 -5.880 414 HD2 PHE 54 HD2 PHE 54 -8.366 -4.990 -8.497 415 HE1 PHE 54 HE1 PHE 54 -5.696 -1.265 -6.728 416 HE2 PHE 54 HE2 PHE 54 -8.713 -2.705 -9.360 417 HZ PHE 54 HZ PHE 54 -7.328 -0.841 -8.446 418 H LEU 55 HN LEU 55 -3.793 -5.775 -5.977 419 HA LEU 55 HA LEU 55 -2.701 -3.747 -7.509 420 HB2 LEU 55 HB2 LEU 55 -1.488 -5.377 -5.305 421 HB3 LEU 55 HB1 LEU 55 -0.701 -3.981 -6.022 422 HG LEU 55 HG LEU 55 -3.387 -3.862 -4.672 423 HD11 LEU 55 HD11 LEU 55 -1.621 -4.494 -3.100 424 HD12 LEU 55 HD12 LEU 55 -2.192 -2.847 -2.818 425 HD13 LEU 55 HD13 LEU 55 -0.657 -3.119 -3.645 426 HD21 LEU 55 HD21 LEU 55 -2.947 -2.100 -6.354 427 HD22 LEU 55 HD22 LEU 55 -1.453 -1.691 -5.505 428 HD23 LEU 55 HD23 LEU 55 -3.007 -1.469 -4.713 429 H GLY 56 HN GLY 56 -1.787 -7.130 -7.279 430 HA2 GLY 56 HA2 GLY 56 0.482 -7.085 -8.919 431 HA3 GLY 56 HA1 GLY 56 -0.573 -8.482 -8.688 432 H GLU 57 HN GLU 57 -2.944 -7.488 -9.799 433 HA GLU 57 HA GLU 57 -2.501 -7.826 -12.495 434 HB2 GLU 57 HB2 GLU 57 -4.844 -6.764 -10.982 435 HB3 GLU 57 HB1 GLU 57 -4.868 -7.099 -12.709 436 HG2 GLU 57 HG2 GLU 57 -4.485 -9.056 -10.453 437 HG3 GLU 57 HG1 GLU 57 -5.845 -8.957 -11.569 438 H GLN 58 HN GLN 58 -2.745 -4.921 -10.585 439 HA GLN 58 HA GLN 58 -2.866 -3.099 -12.801 440 HB2 GLN 58 HB2 GLN 58 -1.989 -2.541 -9.945 441 HB3 GLN 58 HB1 GLN 58 -2.522 -1.357 -11.136 442 HG2 GLN 58 HG2 GLN 58 -4.250 -3.542 -10.007 443 HG3 GLN 58 HG1 GLN 58 -4.231 -1.874 -9.438 444 HE21 GLN 58 HE21 GLN 58 -6.339 -3.534 -10.693 445 HE22 GLN 58 HE22 GLN 58 -6.890 -2.622 -12.035 446 H GLY 59 HN GLY 59 -0.321 -4.049 -10.522 447 HA2 GLY 59 HA2 GLY 59 1.750 -4.726 -11.931 448 HA3 GLY 59 HA1 GLY 59 1.691 -3.042 -12.424 449 H VAL 60 HN VAL 60 1.325 -4.709 -9.271 450 HA VAL 60 HA VAL 60 3.599 -3.126 -8.224 451 HB VAL 60 HB VAL 60 1.079 -3.719 -6.678 452 HG11 VAL 60 HG11 VAL 60 1.977 -2.121 -5.058 453 HG12 VAL 60 HG12 VAL 60 3.383 -1.892 -6.093 454 HG13 VAL 60 HG13 VAL 60 3.076 -3.468 -5.380 455 HG21 VAL 60 HG21 VAL 60 0.452 -2.133 -8.448 456 HG22 VAL 60 HG22 VAL 60 1.801 -1.095 -8.000 457 HG23 VAL 60 HG23 VAL 60 0.461 -1.327 -6.878 458 H GLU 61 HN GLU 61 5.026 -4.443 -7.366 459 HA GLU 61 HA GLU 61 4.252 -7.131 -6.584 460 HB2 GLU 61 HB2 GLU 61 6.886 -5.670 -6.578 461 HB3 GLU 61 HB1 GLU 61 6.681 -7.317 -6.010 462 HG2 GLU 61 HG2 GLU 61 5.971 -8.006 -8.185 463 HG3 GLU 61 HG1 GLU 61 6.104 -6.364 -8.795 464 H LEU 62 HN LEU 62 4.103 -7.751 -4.423 465 HA LEU 62 HA LEU 62 4.317 -5.531 -2.592 466 HB2 LEU 62 HB2 LEU 62 2.978 -8.196 -2.210 467 HB3 LEU 62 HB1 LEU 62 2.939 -6.847 -1.104 468 HG LEU 62 HG LEU 62 0.900 -6.781 -2.066 469 HD11 LEU 62 HD11 LEU 62 0.733 -4.839 -3.510 470 HD12 LEU 62 HD12 LEU 62 2.482 -4.899 -3.739 471 HD13 LEU 62 HD13 LEU 62 1.815 -4.614 -2.133 472 HD21 LEU 62 HD21 LEU 62 2.040 -7.331 -4.792 473 HD22 LEU 62 HD22 LEU 62 0.333 -7.033 -4.405 474 HD23 LEU 62 HD23 LEU 62 1.145 -8.450 -3.752 475 H ILE 63 HN ILE 63 6.070 -5.402 -1.462 476 HA ILE 63 HA ILE 63 7.650 -7.788 -0.953 477 HB ILE 63 HB ILE 63 9.120 -6.218 0.376 478 HG12 ILE 63 HG12 ILE 63 7.643 -4.212 -1.308 479 HG13 ILE 63 HG11 ILE 63 7.663 -4.298 0.439 480 HG21 ILE 63 HG21 ILE 63 10.327 -5.550 -1.645 481 HG22 ILE 63 HG22 ILE 63 8.905 -6.035 -2.597 482 HG23 ILE 63 HG23 ILE 63 9.810 -7.247 -1.629 483 HD11 ILE 63 HD11 ILE 63 10.033 -3.677 -1.301 484 HD12 ILE 63 HD12 ILE 63 10.013 -3.703 0.469 485 HD13 ILE 63 HD13 ILE 63 9.075 -2.497 -0.407 486 H SER 64 HN SER 64 8.623 -7.957 1.098 487 HA SER 64 HA SER 64 6.495 -8.457 2.933 488 HB2 SER 64 HB2 SER 64 9.086 -9.330 2.262 489 HB3 SER 64 HB1 SER 64 8.677 -9.550 3.954 490 HG SER 64 HG SER 64 8.178 -11.270 2.275 491 H GLU 65 HN GLU 65 8.509 -5.809 2.730 492 HA GLU 65 HA GLU 65 8.855 -4.057 4.140 493 HB2 GLU 65 HB2 GLU 65 6.527 -4.777 5.108 494 HB3 GLU 65 HB1 GLU 65 7.447 -5.528 6.388 495 HG2 GLU 65 HG2 GLU 65 7.672 -2.591 5.754 496 HG3 GLU 65 HG1 GLU 65 6.437 -3.227 6.822 497 H ASN 66 HN ASN 66 9.298 -7.140 5.737 498 HA ASN 66 HA ASN 66 11.607 -6.616 7.261 499 HB2 ASN 66 HB2 ASN 66 10.248 -8.816 7.090 500 HB3 ASN 66 HB1 ASN 66 11.202 -9.135 5.650 501 HD21 ASN 66 HD21 ASN 66 11.182 -8.939 9.061 502 HD22 ASN 66 HD22 ASN 66 12.744 -9.597 9.336 503 H GLU 67 HN GLU 67 11.135 -7.368 4.033 504 HA GLU 67 HA GLU 67 13.855 -6.525 3.377 505 HB2 GLU 67 HB2 GLU 67 13.586 -7.644 1.261 506 HB3 GLU 67 HB1 GLU 67 13.082 -8.700 2.609 507 HG2 GLU 67 HG2 GLU 67 10.763 -8.234 2.118 508 HG3 GLU 67 HG1 GLU 67 11.279 -7.095 0.873 509 H GLU 68 HN GLU 68 14.077 -4.912 2.016 510 HA GLU 68 HA GLU 68 12.067 -3.623 0.565 511 HB2 GLU 68 HB2 GLU 68 11.387 -2.885 2.829 512 HB3 GLU 68 HB1 GLU 68 12.999 -2.205 3.065 513 HG2 GLU 68 HG2 GLU 68 11.207 -1.226 0.858 514 HG3 GLU 68 HG1 GLU 68 11.002 -0.636 2.501 515 H THR 69 HN THR 69 13.054 -2.864 -0.974 516 HA THR 69 HA THR 69 15.729 -1.743 -0.773 517 HB THR 69 HB THR 69 16.322 -3.131 -2.891 518 HG1 THR 69 HG1 THR 69 13.943 -4.029 -2.515 519 HG21 THR 69 HG21 THR 69 16.158 -4.439 -0.182 520 HG22 THR 69 HG22 THR 69 17.504 -3.466 -0.794 521 HG23 THR 69 HG23 THR 69 17.144 -5.039 -1.515 522 H GLU 70 HN GLU 70 13.143 -0.613 -1.254 523 HA GLU 70 HA GLU 70 13.113 -0.065 -4.102 524 HB2 GLU 70 HB2 GLU 70 11.161 1.390 -3.611 525 HB3 GLU 70 HB1 GLU 70 10.918 -0.244 -3.027 526 HG2 GLU 70 HG2 GLU 70 11.277 0.426 -0.784 527 HG3 GLU 70 HG1 GLU 70 11.854 2.009 -1.285 528 H ASP 71 HN ASP 71 14.296 1.102 -1.186 529 HA ASP 71 HA ASP 71 15.680 3.264 -2.552 530 HB2 ASP 71 HB2 ASP 71 13.929 4.455 -1.479 531 HB3 ASP 71 HB1 ASP 71 14.099 3.483 -0.011 532 H LEU 72 HN LEU 72 17.754 2.915 -2.246 533 HA LEU 72 HA LEU 72 18.609 1.964 0.398 534 HB2 LEU 72 HB2 LEU 72 19.893 1.399 -2.293 535 HB3 LEU 72 HB1 LEU 72 20.599 0.975 -0.749 536 HG LEU 72 HG LEU 72 18.042 -0.152 -1.899 537 HD11 LEU 72 HD11 LEU 72 19.303 -2.219 -2.118 538 HD12 LEU 72 HD12 LEU 72 20.747 -1.425 -1.511 539 HD13 LEU 72 HD13 LEU 72 20.057 -0.933 -3.059 540 HD21 LEU 72 HD21 LEU 72 19.519 -0.840 0.647 541 HD22 LEU 72 HD22 LEU 72 18.148 -1.725 -0.011 542 HD23 LEU 72 HD23 LEU 72 17.940 -0.061 0.528 543 H GLU 73 HN GLU 73 18.198 4.650 -1.153 544 HA GLU 73 HA GLU 73 20.944 5.713 -1.049 545 HB2 GLU 73 HB2 GLU 73 18.473 7.078 -2.106 546 HB3 GLU 73 HB1 GLU 73 20.152 7.477 -2.420 547 HG2 GLU 73 HG2 GLU 73 18.723 5.025 -3.402 548 HG3 GLU 73 HG1 GLU 73 18.998 6.477 -4.345 549 H HIS 74 HN HIS 74 18.052 5.516 0.660 550 HA HIS 74 HA HIS 74 17.059 6.542 2.366 551 HB2 HIS 74 HB2 HIS 74 19.619 8.175 2.630 552 HB3 HIS 74 HB1 HIS 74 18.265 8.299 3.741 553 HD1 HIS 74 HD1 HIS 74 18.071 6.463 5.540 554 HD2 HIS 74 HD2 HIS 74 21.168 5.860 2.848 555 HE1 HIS 74 HE1 HIS 74 19.501 4.652 6.524 556 H HIS 75 HN HIS 75 15.895 7.028 0.558 557 HA HIS 75 HA HIS 75 16.125 9.523 -0.800 558 HB2 HIS 75 HB2 HIS 75 15.365 7.505 -1.930 559 HB3 HIS 75 HB1 HIS 75 13.974 7.405 -0.864 560 HD1 HIS 75 HD1 HIS 75 11.958 8.931 -1.436 561 HD2 HIS 75 HD2 HIS 75 15.229 9.429 -3.933 562 HE1 HIS 75 HE1 HIS 75 11.150 10.304 -3.349 563 H HIS 76 HN HIS 76 15.108 11.343 -0.501 564 HA HIS 76 HA HIS 76 12.633 11.547 0.881 565 HB2 HIS 76 HB2 HIS 76 14.226 11.721 2.798 566 HB3 HIS 76 HB1 HIS 76 15.071 13.018 1.970 567 HD1 HIS 76 HD1 HIS 76 14.337 15.336 2.746 568 HD2 HIS 76 HD2 HIS 76 11.352 12.468 3.192 569 HE1 HIS 76 HE1 HIS 76 12.408 16.508 3.802 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -12.964 6.909 -5.669 2 H2 ALA 1 HT2 ALA 1 -11.417 6.840 -6.311 3 H3 ALA 1 HT3 ALA 1 -12.749 7.064 -7.347 4 HA ALA 1 HA ALA 1 -11.719 8.898 -5.300 5 HB1 ALA 1 HB1 ALA 1 -11.109 10.319 -7.186 6 HB2 ALA 1 HB2 ALA 1 -11.746 9.117 -8.303 7 HB3 ALA 1 HB3 ALA 1 -10.333 8.738 -7.323 8 H ASP 2 HN ASP 2 -13.547 9.479 -4.336 9 HA ASP 2 HA ASP 2 -15.404 11.098 -5.800 10 HB2 ASP 2 HB2 ASP 2 -17.470 9.884 -5.361 11 HB3 ASP 2 HB1 ASP 2 -16.361 8.843 -6.235 12 H LYS 3 HN LYS 3 -14.025 9.950 -2.924 13 HA LYS 3 HA LYS 3 -15.231 12.147 -1.442 14 HB2 LYS 3 HB2 LYS 3 -14.695 9.343 -0.357 15 HB3 LYS 3 HB1 LYS 3 -15.206 10.718 0.608 16 HG2 LYS 3 HG2 LYS 3 -17.313 10.810 -0.600 17 HG3 LYS 3 HG1 LYS 3 -16.804 9.471 -1.619 18 HD2 LYS 3 HD2 LYS 3 -18.306 8.651 0.047 19 HD3 LYS 3 HD1 LYS 3 -16.702 8.034 0.417 20 HE2 LYS 3 HE2 LYS 3 -16.446 9.786 2.130 21 HE3 LYS 3 HE1 LYS 3 -18.052 10.396 1.733 22 HZ1 LYS 3 HZ1 LYS 3 -17.421 7.724 2.887 23 HZ2 LYS 3 HZ2 LYS 3 -18.946 8.201 2.416 24 HZ3 LYS 3 HZ3 LYS 3 -18.163 9.003 3.684 25 H GLN 4 HN GLN 4 -13.648 12.105 0.762 26 HA GLN 4 HA GLN 4 -11.684 12.636 1.561 27 HB2 GLN 4 HB2 GLN 4 -11.010 10.326 1.175 28 HB3 GLN 4 HB1 GLN 4 -10.578 10.695 -0.485 29 HG2 GLN 4 HG2 GLN 4 -8.658 10.408 1.008 30 HG3 GLN 4 HG1 GLN 4 -8.708 11.993 0.250 31 HE21 GLN 4 HE21 GLN 4 -8.786 13.700 1.499 32 HE22 GLN 4 HE22 GLN 4 -8.779 13.675 3.247 33 H THR 5 HN THR 5 -12.078 14.664 0.977 34 HA THR 5 HA THR 5 -10.185 15.683 -0.995 35 HB THR 5 HB THR 5 -11.814 17.661 -1.212 36 HG1 THR 5 HG1 THR 5 -13.101 16.325 0.671 37 HG21 THR 5 HG21 THR 5 -12.738 14.951 -2.193 38 HG22 THR 5 HG22 THR 5 -11.566 15.998 -2.995 39 HG23 THR 5 HG23 THR 5 -13.249 16.506 -2.847 40 H HIS 6 HN HIS 6 -8.959 15.398 0.985 41 HA HIS 6 HA HIS 6 -7.672 16.203 2.558 42 HB2 HIS 6 HB2 HIS 6 -9.106 18.821 2.154 43 HB3 HIS 6 HB1 HIS 6 -7.784 18.621 3.301 44 HD1 HIS 6 HD1 HIS 6 -5.386 18.392 2.302 45 HD2 HIS 6 HD2 HIS 6 -8.398 18.770 -0.537 46 HE1 HIS 6 HE1 HIS 6 -4.227 18.839 0.121 47 H GLU 7 HN GLU 7 -10.622 15.246 3.126 48 HA GLU 7 HA GLU 7 -10.944 16.050 5.866 49 HB2 GLU 7 HB2 GLU 7 -11.909 13.432 4.662 50 HB3 GLU 7 HB1 GLU 7 -12.439 14.124 6.173 51 HG2 GLU 7 HG2 GLU 7 -14.204 14.535 4.757 52 HG3 GLU 7 HG1 GLU 7 -13.311 16.056 4.685 53 H THR 8 HN THR 8 -10.712 14.422 7.693 54 HA THR 8 HA THR 8 -8.154 13.120 7.436 55 HB THR 8 HB THR 8 -9.898 13.367 9.913 56 HG1 THR 8 HG1 THR 8 -8.444 15.254 8.542 57 HG21 THR 8 HG21 THR 8 -8.014 11.769 9.994 58 HG22 THR 8 HG22 THR 8 -7.760 13.130 11.086 59 HG23 THR 8 HG23 THR 8 -6.910 13.067 9.541 60 H GLU 9 HN GLU 9 -8.047 11.178 7.096 61 HA GLU 9 HA GLU 9 -8.337 9.093 6.727 62 HB2 GLU 9 HB2 GLU 9 -10.561 9.351 8.660 63 HB3 GLU 9 HB1 GLU 9 -10.188 7.797 7.875 64 HG2 GLU 9 HG2 GLU 9 -7.876 8.021 8.747 65 HG3 GLU 9 HG1 GLU 9 -8.379 9.465 9.619 66 H LEU 10 HN LEU 10 -9.227 7.669 5.438 67 HA LEU 10 HA LEU 10 -10.864 9.004 3.413 68 HB2 LEU 10 HB2 LEU 10 -8.979 6.749 2.841 69 HB3 LEU 10 HB1 LEU 10 -9.592 7.983 1.773 70 HG LEU 10 HG LEU 10 -8.040 9.611 3.097 71 HD11 LEU 10 HD11 LEU 10 -6.846 6.974 3.838 72 HD12 LEU 10 HD12 LEU 10 -7.593 8.128 4.928 73 HD13 LEU 10 HD13 LEU 10 -6.084 8.556 4.092 74 HD21 LEU 10 HD21 LEU 10 -6.797 7.444 1.409 75 HD22 LEU 10 HD22 LEU 10 -6.205 9.099 1.623 76 HD23 LEU 10 HD23 LEU 10 -7.720 8.789 0.765 77 H THR 11 HN THR 11 -11.505 6.964 1.825 78 HA THR 11 HA THR 11 -12.963 5.204 3.587 79 HB THR 11 HB THR 11 -14.522 4.832 1.773 80 HG1 THR 11 HG1 THR 11 -13.966 5.606 -0.349 81 HG21 THR 11 HG21 THR 11 -13.530 7.646 1.411 82 HG22 THR 11 HG22 THR 11 -14.640 7.138 2.693 83 HG23 THR 11 HG23 THR 11 -15.126 7.035 0.991 84 H PHE 12 HN PHE 12 -13.298 2.928 2.500 85 HA PHE 12 HA PHE 12 -10.753 1.749 2.536 86 HB2 PHE 12 HB2 PHE 12 -12.697 0.490 3.278 87 HB3 PHE 12 HB1 PHE 12 -13.431 0.612 1.683 88 HD1 PHE 12 HD1 PHE 12 -13.381 -1.340 0.468 89 HD2 PHE 12 HD2 PHE 12 -10.159 -0.460 3.094 90 HE1 PHE 12 HE1 PHE 12 -12.267 -3.434 -0.190 91 HE2 PHE 12 HE2 PHE 12 -9.049 -2.542 2.437 92 HZ PHE 12 HZ PHE 12 -10.074 -4.018 0.816 93 H ASP 13 HN ASP 13 -13.000 2.507 0.073 94 HA ASP 13 HA ASP 13 -11.455 1.669 -2.111 95 HB2 ASP 13 HB2 ASP 13 -13.709 3.658 -2.024 96 HB3 ASP 13 HB1 ASP 13 -12.935 3.117 -3.515 97 H GLN 14 HN GLN 14 -11.450 4.579 -0.364 98 HA GLN 14 HA GLN 14 -9.863 6.039 -2.300 99 HB2 GLN 14 HB2 GLN 14 -10.379 6.593 0.606 100 HB3 GLN 14 HB1 GLN 14 -9.460 7.677 -0.416 101 HG2 GLN 14 HG2 GLN 14 -12.366 6.938 -0.772 102 HG3 GLN 14 HG1 GLN 14 -11.772 8.438 -0.075 103 HE21 GLN 14 HE21 GLN 14 -9.630 8.676 -2.003 104 HE22 GLN 14 HE22 GLN 14 -10.344 9.151 -3.484 105 H VAL 15 HN VAL 15 -9.301 4.082 0.514 106 HA VAL 15 HA VAL 15 -6.541 4.741 0.690 107 HB VAL 15 HB VAL 15 -8.207 2.643 2.125 108 HG11 VAL 15 HG11 VAL 15 -5.242 3.249 2.370 109 HG12 VAL 15 HG12 VAL 15 -5.905 1.756 1.730 110 HG13 VAL 15 HG13 VAL 15 -6.128 2.159 3.445 111 HG21 VAL 15 HG21 VAL 15 -7.550 3.988 4.086 112 HG22 VAL 15 HG22 VAL 15 -8.468 4.886 2.884 113 HG23 VAL 15 HG23 VAL 15 -6.707 5.091 2.989 114 H LYS 16 HN LYS 16 -8.470 1.991 -0.639 115 HA LYS 16 HA LYS 16 -6.423 0.617 -1.601 116 HB2 LYS 16 HB2 LYS 16 -9.211 1.157 -2.461 117 HB3 LYS 16 HB1 LYS 16 -8.193 0.247 -3.537 118 HG2 LYS 16 HG2 LYS 16 -7.796 -1.351 -1.572 119 HG3 LYS 16 HG1 LYS 16 -9.041 -0.452 -0.711 120 HD2 LYS 16 HD2 LYS 16 -9.438 -1.907 -3.338 121 HD3 LYS 16 HD1 LYS 16 -9.906 -2.530 -1.760 122 HE2 LYS 16 HE2 LYS 16 -11.458 -0.669 -1.466 123 HE3 LYS 16 HE1 LYS 16 -10.902 0.015 -2.984 124 HZ1 LYS 16 HZ1 LYS 16 -12.440 -2.552 -2.718 125 HZ2 LYS 16 HZ2 LYS 16 -11.878 -1.883 -4.156 126 HZ3 LYS 16 HZ3 LYS 16 -13.015 -1.056 -3.254 127 H GLU 17 HN GLU 17 -8.074 3.429 -3.132 128 HA GLU 17 HA GLU 17 -6.355 3.469 -5.331 129 HB2 GLU 17 HB2 GLU 17 -7.954 5.706 -4.126 130 HB3 GLU 17 HB1 GLU 17 -7.074 5.843 -5.642 131 HG2 GLU 17 HG2 GLU 17 -8.418 4.016 -6.564 132 HG3 GLU 17 HG1 GLU 17 -9.326 3.935 -5.055 133 H GLN 18 HN GLN 18 -5.762 4.757 -2.022 134 HA GLN 18 HA GLN 18 -3.753 6.488 -2.658 135 HB2 GLN 18 HB2 GLN 18 -4.877 6.687 -0.580 136 HB3 GLN 18 HB1 GLN 18 -4.771 4.962 -0.287 137 HG2 GLN 18 HG2 GLN 18 -2.572 5.074 0.106 138 HG3 GLN 18 HG1 GLN 18 -2.444 6.824 -0.256 139 HE21 GLN 18 HE21 GLN 18 -3.418 8.268 1.337 140 HE22 GLN 18 HE22 GLN 18 -3.725 7.714 2.951 141 H LEU 19 HN LEU 19 -3.837 3.302 -1.411 142 HA LEU 19 HA LEU 19 -1.108 2.780 -1.486 143 HB2 LEU 19 HB2 LEU 19 -3.589 1.254 -1.338 144 HB3 LEU 19 HB1 LEU 19 -2.073 0.426 -1.494 145 HG LEU 19 HG LEU 19 -2.905 2.327 0.745 146 HD11 LEU 19 HD11 LEU 19 -2.526 -0.631 0.777 147 HD12 LEU 19 HD12 LEU 19 -4.069 0.221 0.783 148 HD13 LEU 19 HD13 LEU 19 -2.971 0.373 2.164 149 HD21 LEU 19 HD21 LEU 19 -0.385 0.681 0.474 150 HD22 LEU 19 HD22 LEU 19 -0.869 1.585 1.905 151 HD23 LEU 19 HD23 LEU 19 -0.486 2.445 0.419 152 H THR 20 HN THR 20 -3.717 2.041 -3.747 153 HA THR 20 HA THR 20 -2.249 0.510 -5.541 154 HB THR 20 HB THR 20 -4.679 2.241 -5.845 155 HG1 THR 20 HG1 THR 20 -4.985 0.408 -4.671 156 HG21 THR 20 HG21 THR 20 -5.091 1.196 -8.052 157 HG22 THR 20 HG22 THR 20 -3.473 0.463 -8.000 158 HG23 THR 20 HG23 THR 20 -3.665 2.224 -8.027 159 H GLU 21 HN GLU 21 -2.896 4.037 -5.554 160 HA GLU 21 HA GLU 21 -1.600 4.448 -8.027 161 HB2 GLU 21 HB2 GLU 21 -3.300 5.883 -7.077 162 HB3 GLU 21 HB1 GLU 21 -2.211 6.344 -5.773 163 HG2 GLU 21 HG2 GLU 21 -0.735 7.435 -7.388 164 HG3 GLU 21 HG1 GLU 21 -1.804 6.951 -8.705 165 H SER 22 HN SER 22 -0.629 4.611 -4.764 166 HA SER 22 HA SER 22 1.980 5.677 -5.095 167 HB2 SER 22 HB2 SER 22 0.936 3.876 -2.909 168 HB3 SER 22 HB1 SER 22 2.431 4.822 -2.826 169 HG SER 22 HG SER 22 -0.248 5.653 -2.805 170 H GLY 23 HN GLY 23 0.832 2.379 -4.796 171 HA2 GLY 23 HA2 GLY 23 3.295 1.013 -5.094 172 HA3 GLY 23 HA1 GLY 23 1.707 0.347 -5.453 173 H LYS 24 HN LYS 24 0.996 2.265 -7.411 174 HA LYS 24 HA LYS 24 2.124 1.115 -9.696 175 HB2 LYS 24 HB2 LYS 24 0.411 3.523 -9.276 176 HB3 LYS 24 HB1 LYS 24 0.865 2.894 -10.859 177 HG2 LYS 24 HG2 LYS 24 -0.371 1.174 -8.775 178 HG3 LYS 24 HG1 LYS 24 -1.412 2.148 -9.783 179 HD2 LYS 24 HD2 LYS 24 0.629 0.069 -10.767 180 HD3 LYS 24 HD1 LYS 24 -1.093 -0.229 -10.594 181 HE2 LYS 24 HE2 LYS 24 -1.619 1.371 -12.228 182 HE3 LYS 24 HE1 LYS 24 0.041 1.930 -12.340 183 HZ1 LYS 24 HZ1 LYS 24 -0.997 -0.728 -13.253 184 HZ2 LYS 24 HZ2 LYS 24 0.622 -0.280 -13.250 185 HZ3 LYS 24 HZ3 LYS 24 -0.458 0.558 -14.201 186 H LYS 25 HN LYS 25 2.937 4.042 -7.950 187 HA LYS 25 HA LYS 25 4.648 5.112 -9.956 188 HB2 LYS 25 HB2 LYS 25 4.543 5.541 -6.989 189 HB3 LYS 25 HB1 LYS 25 5.421 6.558 -8.127 190 HG2 LYS 25 HG2 LYS 25 3.322 7.207 -9.149 191 HG3 LYS 25 HG1 LYS 25 2.447 6.141 -8.047 192 HD2 LYS 25 HD2 LYS 25 3.319 7.414 -6.155 193 HD3 LYS 25 HD1 LYS 25 4.110 8.535 -7.273 194 HE2 LYS 25 HE2 LYS 25 1.867 8.961 -8.270 195 HE3 LYS 25 HE1 LYS 25 1.203 7.956 -6.976 196 HZ1 LYS 25 HZ1 LYS 25 1.039 10.301 -6.377 197 HZ2 LYS 25 HZ2 LYS 25 2.675 10.523 -6.589 198 HZ3 LYS 25 HZ3 LYS 25 2.120 9.549 -5.347 199 H ARG 26 HN ARG 26 4.958 3.235 -7.122 200 HA ARG 26 HA ARG 26 7.863 3.268 -7.081 201 HB2 ARG 26 HB2 ARG 26 5.981 1.549 -5.478 202 HB3 ARG 26 HB1 ARG 26 7.695 1.778 -5.178 203 HG2 ARG 26 HG2 ARG 26 7.334 4.079 -4.597 204 HG3 ARG 26 HG1 ARG 26 5.642 3.957 -5.067 205 HD2 ARG 26 HD2 ARG 26 5.708 3.751 -2.670 206 HD3 ARG 26 HD1 ARG 26 5.354 2.177 -3.394 207 HE ARG 26 HE ARG 26 8.131 2.446 -2.881 208 HH11 ARG 26 HH11 ARG 26 5.027 1.740 -1.387 209 HH12 ARG 26 HH12 ARG 26 5.651 0.923 -0.043 210 HH21 ARG 26 HH21 ARG 26 9.030 1.397 -1.082 211 HH22 ARG 26 HH22 ARG 26 8.071 0.759 0.200 212 H GLY 27 HN GLY 27 5.349 0.905 -7.691 213 HA2 GLY 27 HA2 GLY 27 5.425 -0.843 -9.170 214 HA3 GLY 27 HA1 GLY 27 7.198 -0.860 -9.094 215 H VAL 28 HN VAL 28 5.743 -0.321 -6.109 216 HA VAL 28 HA VAL 28 5.625 -3.064 -5.279 217 HB VAL 28 HB VAL 28 8.020 -2.455 -5.650 218 HG11 VAL 28 HG11 VAL 28 7.634 -0.775 -3.224 219 HG12 VAL 28 HG12 VAL 28 8.080 -0.244 -4.849 220 HG13 VAL 28 HG13 VAL 28 9.208 -1.227 -3.904 221 HG21 VAL 28 HG21 VAL 28 7.425 -4.340 -4.424 222 HG22 VAL 28 HG22 VAL 28 7.129 -3.351 -2.987 223 HG23 VAL 28 HG23 VAL 28 8.787 -3.553 -3.607 224 H LEU 29 HN LEU 29 5.046 -3.296 -3.184 225 HA LEU 29 HA LEU 29 4.667 -1.032 -1.454 226 HB2 LEU 29 HB2 LEU 29 2.463 -2.817 -2.440 227 HB3 LEU 29 HB1 LEU 29 2.340 -2.000 -0.908 228 HG LEU 29 HG LEU 29 2.575 -0.643 -3.603 229 HD11 LEU 29 HD11 LEU 29 0.223 -0.085 -3.266 230 HD12 LEU 29 HD12 LEU 29 0.213 -1.018 -1.766 231 HD13 LEU 29 HD13 LEU 29 0.456 -1.834 -3.310 232 HD21 LEU 29 HD21 LEU 29 1.998 0.461 -0.860 233 HD22 LEU 29 HD22 LEU 29 1.946 1.368 -2.371 234 HD23 LEU 29 HD23 LEU 29 3.478 0.712 -1.788 235 H THR 30 HN THR 30 5.091 -1.741 0.625 236 HA THR 30 HA THR 30 5.647 -4.517 1.062 237 HB THR 30 HB THR 30 6.019 -3.824 3.455 238 HG1 THR 30 HG1 THR 30 5.546 -1.212 2.427 239 HG21 THR 30 HG21 THR 30 7.884 -3.982 2.137 240 HG22 THR 30 HG22 THR 30 8.045 -2.403 2.928 241 HG23 THR 30 HG23 THR 30 7.532 -2.512 1.233 242 H TYR 31 HN TYR 31 4.448 -5.959 2.343 243 HA TYR 31 HA TYR 31 1.664 -5.750 2.423 244 HB2 TYR 31 HB2 TYR 31 3.451 -7.413 4.211 245 HB3 TYR 31 HB1 TYR 31 1.711 -7.603 4.100 246 HD1 TYR 31 HD1 TYR 31 0.712 -8.509 2.019 247 HD2 TYR 31 HD2 TYR 31 4.900 -8.309 2.569 248 HE1 TYR 31 HE1 TYR 31 1.008 -10.143 0.215 249 HE2 TYR 31 HE2 TYR 31 5.230 -9.945 0.758 250 HH TYR 31 HH TYR 31 2.731 -10.879 -1.370 251 H GLU 32 HN GLU 32 4.042 -4.864 4.838 252 HA GLU 32 HA GLU 32 2.286 -4.425 6.972 253 HB2 GLU 32 HB2 GLU 32 4.710 -4.655 7.311 254 HB3 GLU 32 HB1 GLU 32 4.966 -3.120 6.492 255 HG2 GLU 32 HG2 GLU 32 3.771 -1.939 8.243 256 HG3 GLU 32 HG1 GLU 32 3.400 -3.460 9.041 257 H GLU 33 HN GLU 33 3.285 -2.209 4.362 258 HA GLU 33 HA GLU 33 2.104 0.037 5.725 259 HB2 GLU 33 HB2 GLU 33 2.727 1.360 3.807 260 HB3 GLU 33 HB1 GLU 33 4.071 0.295 4.186 261 HG2 GLU 33 HG2 GLU 33 3.268 -1.220 2.382 262 HG3 GLU 33 HG1 GLU 33 2.074 0.010 1.970 263 H ILE 34 HN ILE 34 1.196 -2.336 3.390 264 HA ILE 34 HA ILE 34 -1.113 -1.072 2.466 265 HB ILE 34 HB ILE 34 -0.435 -4.020 2.602 266 HG12 ILE 34 HG12 ILE 34 -0.284 -2.054 0.308 267 HG13 ILE 34 HG11 ILE 34 1.095 -2.595 1.259 268 HG21 ILE 34 HG21 ILE 34 -2.203 -4.241 0.865 269 HG22 ILE 34 HG22 ILE 34 -2.596 -2.531 1.147 270 HG23 ILE 34 HG23 ILE 34 -2.809 -3.702 2.442 271 HD11 ILE 34 HD11 ILE 34 0.736 -4.872 0.483 272 HD12 ILE 34 HD12 ILE 34 0.952 -3.746 -0.859 273 HD13 ILE 34 HD13 ILE 34 -0.659 -4.336 -0.453 274 H ALA 35 HN ALA 35 -0.536 -3.395 5.161 275 HA ALA 35 HA ALA 35 -3.215 -3.614 5.891 276 HB1 ALA 35 HB1 ALA 35 -2.301 -4.701 7.903 277 HB2 ALA 35 HB2 ALA 35 -0.675 -4.213 7.408 278 HB3 ALA 35 HB3 ALA 35 -1.600 -5.339 6.417 279 H GLU 36 HN GLU 36 -0.690 -1.360 6.457 280 HA GLU 36 HA GLU 36 -1.242 -0.344 8.987 281 HB2 GLU 36 HB2 GLU 36 0.844 0.004 7.830 282 HB3 GLU 36 HB1 GLU 36 0.027 0.853 6.535 283 HG2 GLU 36 HG2 GLU 36 -0.567 2.630 8.159 284 HG3 GLU 36 HG1 GLU 36 0.403 1.778 9.367 285 H ARG 37 HN ARG 37 -2.091 0.973 5.737 286 HA ARG 37 HA ARG 37 -3.648 3.034 6.810 287 HB2 ARG 37 HB2 ARG 37 -3.620 1.911 3.998 288 HB3 ARG 37 HB1 ARG 37 -4.134 3.515 4.488 289 HG2 ARG 37 HG2 ARG 37 -1.341 2.425 4.658 290 HG3 ARG 37 HG1 ARG 37 -1.944 3.554 3.454 291 HD2 ARG 37 HD2 ARG 37 -2.332 5.257 5.106 292 HD3 ARG 37 HD1 ARG 37 -1.957 4.143 6.418 293 HE ARG 37 HE ARG 37 0.323 4.103 5.639 294 HH11 ARG 37 HH11 ARG 37 -1.669 6.889 4.669 295 HH12 ARG 37 HH12 ARG 37 -0.341 7.878 4.292 296 HH21 ARG 37 HH21 ARG 37 2.132 5.470 5.107 297 HH22 ARG 37 HH22 ARG 37 1.889 7.055 4.569 298 H MET 38 HN MET 38 -4.254 -0.259 6.103 299 HA MET 38 HA MET 38 -7.098 0.112 5.844 300 HB2 MET 38 HB2 MET 38 -5.520 -2.458 6.017 301 HB3 MET 38 HB1 MET 38 -7.232 -2.318 5.705 302 HG2 MET 38 HG2 MET 38 -5.071 -1.210 3.963 303 HG3 MET 38 HG1 MET 38 -5.972 -2.700 3.676 304 HE1 MET 38 HE1 MET 38 -6.740 -1.958 1.264 305 HE2 MET 38 HE2 MET 38 -5.704 -0.555 1.502 306 HE3 MET 38 HE3 MET 38 -7.353 -0.338 0.906 307 H SER 39 HN SER 39 -5.024 0.017 8.446 308 HA SER 39 HA SER 39 -6.384 -1.725 10.192 309 HB2 SER 39 HB2 SER 39 -4.557 0.590 10.845 310 HB3 SER 39 HB1 SER 39 -5.026 -0.693 11.962 311 HG SER 39 HG SER 39 -3.992 -1.470 9.495 312 H SER 40 HN SER 40 -7.049 1.509 9.263 313 HA SER 40 HA SER 40 -8.742 2.293 11.362 314 HB2 SER 40 HB2 SER 40 -7.863 3.792 9.569 315 HB3 SER 40 HB1 SER 40 -8.925 2.980 8.425 316 HG SER 40 HG SER 40 -9.460 5.051 9.898 317 H PHE 41 HN PHE 41 -9.220 0.349 8.484 318 HA PHE 41 HA PHE 41 -12.095 0.125 8.887 319 HB2 PHE 41 HB2 PHE 41 -10.305 -1.172 6.860 320 HB3 PHE 41 HB1 PHE 41 -12.047 -1.039 6.719 321 HD1 PHE 41 HD1 PHE 41 -12.813 1.586 7.008 322 HD2 PHE 41 HD2 PHE 41 -9.068 0.168 5.608 323 HE1 PHE 41 HE1 PHE 41 -12.421 3.740 5.883 324 HE2 PHE 41 HE2 PHE 41 -8.660 2.299 4.486 325 HZ PHE 41 HZ PHE 41 -10.335 4.099 4.622 326 H GLU 42 HN GLU 42 -9.166 -1.564 9.417 327 HA GLU 42 HA GLU 42 -8.559 -3.437 10.444 328 HB2 GLU 42 HB2 GLU 42 -11.455 -3.636 11.317 329 HB3 GLU 42 HB1 GLU 42 -10.137 -4.604 11.968 330 HG2 GLU 42 HG2 GLU 42 -9.110 -2.707 12.956 331 HG3 GLU 42 HG1 GLU 42 -10.167 -1.604 12.083 332 H ILE 43 HN ILE 43 -8.412 -3.788 8.135 333 HA ILE 43 HA ILE 43 -10.199 -5.757 6.947 334 HB ILE 43 HB ILE 43 -7.707 -4.407 5.869 335 HG12 ILE 43 HG12 ILE 43 -9.574 -2.871 6.288 336 HG13 ILE 43 HG11 ILE 43 -9.161 -2.993 4.580 337 HG21 ILE 43 HG21 ILE 43 -9.737 -6.004 4.400 338 HG22 ILE 43 HG22 ILE 43 -8.117 -6.547 4.824 339 HG23 ILE 43 HG23 ILE 43 -8.337 -5.192 3.701 340 HD11 ILE 43 HD11 ILE 43 -11.552 -2.944 4.875 341 HD12 ILE 43 HD12 ILE 43 -11.468 -4.337 5.964 342 HD13 ILE 43 HD13 ILE 43 -11.029 -4.515 4.260 343 H GLU 44 HN GLU 44 -9.810 -7.770 6.966 344 HA GLU 44 HA GLU 44 -7.610 -8.924 8.423 345 HB2 GLU 44 HB2 GLU 44 -9.887 -10.213 6.930 346 HB3 GLU 44 HB1 GLU 44 -8.754 -11.021 7.977 347 HG2 GLU 44 HG2 GLU 44 -10.442 -8.753 8.893 348 HG3 GLU 44 HG1 GLU 44 -10.923 -10.437 9.042 349 H SER 45 HN SER 45 -6.492 -10.855 7.548 350 HA SER 45 HA SER 45 -4.979 -10.224 5.308 351 HB2 SER 45 HB2 SER 45 -4.263 -11.725 7.179 352 HB3 SER 45 HB1 SER 45 -5.370 -12.954 6.571 353 HG SER 45 HG SER 45 -3.646 -13.530 5.531 354 H ASP 46 HN ASP 46 -7.868 -12.193 5.697 355 HA ASP 46 HA ASP 46 -8.087 -13.525 3.266 356 HB2 ASP 46 HB2 ASP 46 -9.619 -13.662 5.302 357 HB3 ASP 46 HB1 ASP 46 -10.248 -12.144 4.709 358 H GLN 47 HN GLN 47 -9.208 -10.390 4.227 359 HA GLN 47 HA GLN 47 -10.380 -9.652 1.750 360 HB2 GLN 47 HB2 GLN 47 -9.495 -7.966 4.046 361 HB3 GLN 47 HB1 GLN 47 -10.670 -7.518 2.814 362 HG2 GLN 47 HG2 GLN 47 -12.144 -9.328 3.658 363 HG3 GLN 47 HG1 GLN 47 -10.934 -9.667 4.882 364 HE21 GLN 47 HE21 GLN 47 -13.201 -7.273 3.775 365 HE22 GLN 47 HE22 GLN 47 -13.280 -6.438 5.267 366 H MET 48 HN MET 48 -7.334 -8.990 3.428 367 HA MET 48 HA MET 48 -6.335 -7.092 1.664 368 HB2 MET 48 HB2 MET 48 -4.902 -8.947 3.557 369 HB3 MET 48 HB1 MET 48 -4.034 -7.794 2.571 370 HG2 MET 48 HG2 MET 48 -6.211 -6.915 4.437 371 HG3 MET 48 HG1 MET 48 -4.582 -7.223 5.008 372 HE1 MET 48 HE1 MET 48 -5.589 -3.816 1.990 373 HE2 MET 48 HE2 MET 48 -6.763 -5.042 2.477 374 HE3 MET 48 HE3 MET 48 -5.396 -5.459 1.436 375 H ASP 49 HN ASP 49 -6.084 -10.577 1.713 376 HA ASP 49 HA ASP 49 -4.199 -11.151 -0.236 377 HB2 ASP 49 HB2 ASP 49 -5.264 -12.866 1.128 378 HB3 ASP 49 HB1 ASP 49 -6.813 -12.542 0.366 379 H GLU 50 HN GLU 50 -7.638 -10.542 -0.716 380 HA GLU 50 HA GLU 50 -7.493 -10.862 -3.506 381 HB2 GLU 50 HB2 GLU 50 -9.559 -9.462 -1.817 382 HB3 GLU 50 HB1 GLU 50 -9.741 -9.772 -3.539 383 HG2 GLU 50 HG2 GLU 50 -9.575 -12.163 -3.142 384 HG3 GLU 50 HG1 GLU 50 -9.359 -11.865 -1.418 385 H TYR 51 HN TYR 51 -7.079 -8.120 -1.403 386 HA TYR 51 HA TYR 51 -6.969 -6.226 -3.510 387 HB2 TYR 51 HB2 TYR 51 -7.466 -5.543 -1.207 388 HB3 TYR 51 HB1 TYR 51 -5.862 -6.028 -0.701 389 HD1 TYR 51 HD1 TYR 51 -7.062 -3.988 -3.660 390 HD2 TYR 51 HD2 TYR 51 -4.639 -4.184 -0.142 391 HE1 TYR 51 HE1 TYR 51 -6.200 -1.777 -4.118 392 HE2 TYR 51 HE2 TYR 51 -3.777 -1.947 -0.640 393 HH TYR 51 HH TYR 51 -3.495 -0.555 -2.589 394 H TYR 52 HN TYR 52 -4.577 -8.260 -1.911 395 HA TYR 52 HA TYR 52 -2.260 -7.094 -2.997 396 HB2 TYR 52 HB2 TYR 52 -2.737 -9.994 -2.260 397 HB3 TYR 52 HB1 TYR 52 -1.165 -9.317 -2.651 398 HD1 TYR 52 HD1 TYR 52 -1.537 -6.673 -1.157 399 HD2 TYR 52 HD2 TYR 52 -2.292 -10.712 -0.065 400 HE1 TYR 52 HE1 TYR 52 -1.222 -6.090 1.162 401 HE2 TYR 52 HE2 TYR 52 -1.989 -10.127 2.298 402 HH TYR 52 HH TYR 52 -0.906 -8.443 3.636 403 H GLU 53 HN GLU 53 -4.319 -9.671 -4.056 404 HA GLU 53 HA GLU 53 -3.106 -10.379 -6.438 405 HB2 GLU 53 HB2 GLU 53 -4.818 -11.617 -5.223 406 HB3 GLU 53 HB1 GLU 53 -5.987 -10.366 -5.585 407 HG2 GLU 53 HG2 GLU 53 -5.798 -10.916 -7.961 408 HG3 GLU 53 HG1 GLU 53 -4.661 -12.209 -7.549 409 H PHE 54 HN PHE 54 -5.592 -7.992 -5.684 410 HA PHE 54 HA PHE 54 -6.122 -7.033 -8.260 411 HB2 PHE 54 HB2 PHE 54 -7.648 -6.413 -6.563 412 HB3 PHE 54 HB1 PHE 54 -6.369 -5.808 -5.520 413 HD1 PHE 54 HD1 PHE 54 -8.295 -5.101 -8.595 414 HD2 PHE 54 HD2 PHE 54 -5.643 -3.640 -5.637 415 HE1 PHE 54 HE1 PHE 54 -8.618 -2.795 -9.440 416 HE2 PHE 54 HE2 PHE 54 -5.952 -1.346 -6.460 417 HZ PHE 54 HZ PHE 54 -7.402 -0.919 -8.339 418 H LEU 55 HN LEU 55 -3.902 -5.812 -5.800 419 HA LEU 55 HA LEU 55 -2.759 -3.737 -7.224 420 HB2 LEU 55 HB2 LEU 55 -1.613 -5.499 -5.076 421 HB3 LEU 55 HB1 LEU 55 -0.782 -4.088 -5.687 422 HG LEU 55 HG LEU 55 -3.502 -3.993 -4.403 423 HD11 LEU 55 HD11 LEU 55 -1.857 -4.756 -2.795 424 HD12 LEU 55 HD12 LEU 55 -2.297 -3.081 -2.459 425 HD13 LEU 55 HD13 LEU 55 -0.769 -3.453 -3.258 426 HD21 LEU 55 HD21 LEU 55 -3.012 -1.589 -4.255 427 HD22 LEU 55 HD22 LEU 55 -3.044 -2.133 -5.923 428 HD23 LEU 55 HD23 LEU 55 -1.500 -1.844 -5.121 429 H GLY 56 HN GLY 56 -1.802 -7.105 -7.002 430 HA2 GLY 56 HA2 GLY 56 0.498 -7.041 -8.589 431 HA3 GLY 56 HA1 GLY 56 -0.534 -8.453 -8.370 432 H GLU 57 HN GLU 57 -2.905 -7.469 -9.532 433 HA GLU 57 HA GLU 57 -2.494 -7.878 -12.233 434 HB2 GLU 57 HB2 GLU 57 -4.771 -6.662 -10.715 435 HB3 GLU 57 HB1 GLU 57 -4.832 -7.040 -12.429 436 HG2 GLU 57 HG2 GLU 57 -4.382 -9.013 -10.197 437 HG3 GLU 57 HG1 GLU 57 -5.903 -8.764 -11.055 438 H GLN 58 HN GLN 58 -2.696 -4.910 -10.359 439 HA GLN 58 HA GLN 58 -2.853 -3.172 -12.625 440 HB2 GLN 58 HB2 GLN 58 -1.951 -2.461 -9.816 441 HB3 GLN 58 HB1 GLN 58 -2.582 -1.371 -11.040 442 HG2 GLN 58 HG2 GLN 58 -4.151 -3.536 -9.664 443 HG3 GLN 58 HG1 GLN 58 -4.210 -1.817 -9.287 444 HE21 GLN 58 HE21 GLN 58 -5.117 -4.291 -11.531 445 HE22 GLN 58 HE22 GLN 58 -6.218 -3.348 -12.447 446 H GLY 59 HN GLY 59 -0.321 -4.072 -10.359 447 HA2 GLY 59 HA2 GLY 59 1.788 -4.666 -11.757 448 HA3 GLY 59 HA1 GLY 59 1.678 -2.972 -12.223 449 H VAL 60 HN VAL 60 1.260 -4.672 -9.131 450 HA VAL 60 HA VAL 60 3.446 -3.057 -8.007 451 HB VAL 60 HB VAL 60 0.898 -3.733 -6.533 452 HG11 VAL 60 HG11 VAL 60 3.152 -1.887 -5.882 453 HG12 VAL 60 HG12 VAL 60 2.855 -3.478 -5.197 454 HG13 VAL 60 HG13 VAL 60 1.711 -2.161 -4.899 455 HG21 VAL 60 HG21 VAL 60 0.308 -2.132 -8.308 456 HG22 VAL 60 HG22 VAL 60 1.628 -1.084 -7.806 457 HG23 VAL 60 HG23 VAL 60 0.257 -1.347 -6.729 458 H GLU 61 HN GLU 61 4.872 -4.331 -7.097 459 HA GLU 61 HA GLU 61 4.178 -7.079 -6.475 460 HB2 GLU 61 HB2 GLU 61 6.767 -5.554 -6.563 461 HB3 GLU 61 HB1 GLU 61 6.660 -7.234 -6.049 462 HG2 GLU 61 HG2 GLU 61 5.771 -7.861 -8.173 463 HG3 GLU 61 HG1 GLU 61 5.739 -6.189 -8.707 464 H LEU 62 HN LEU 62 3.822 -7.743 -4.417 465 HA LEU 62 HA LEU 62 4.081 -5.689 -2.416 466 HB2 LEU 62 HB2 LEU 62 2.849 -8.419 -2.067 467 HB3 LEU 62 HB1 LEU 62 2.695 -7.048 -1.002 468 HG LEU 62 HG LEU 62 0.681 -6.951 -1.980 469 HD11 LEU 62 HD11 LEU 62 0.450 -5.327 -3.692 470 HD12 LEU 62 HD12 LEU 62 2.190 -5.398 -3.984 471 HD13 LEU 62 HD13 LEU 62 1.579 -4.847 -2.423 472 HD21 LEU 62 HD21 LEU 62 0.865 -8.914 -3.289 473 HD22 LEU 62 HD22 LEU 62 1.780 -8.063 -4.552 474 HD23 LEU 62 HD23 LEU 62 0.083 -7.649 -4.216 475 H ILE 63 HN ILE 63 5.942 -5.543 -1.484 476 HA ILE 63 HA ILE 63 7.485 -7.955 -1.042 477 HB ILE 63 HB ILE 63 9.310 -6.491 -0.260 478 HG12 ILE 63 HG12 ILE 63 7.512 -4.304 -1.238 479 HG13 ILE 63 HG11 ILE 63 7.920 -4.616 0.431 480 HG21 ILE 63 HG21 ILE 63 9.886 -5.677 -2.460 481 HG22 ILE 63 HG22 ILE 63 8.199 -5.845 -2.944 482 HG23 ILE 63 HG23 ILE 63 9.164 -7.298 -2.567 483 HD11 ILE 63 HD11 ILE 63 10.263 -4.097 -0.009 484 HD12 ILE 63 HD12 ILE 63 9.240 -2.742 -0.477 485 HD13 ILE 63 HD13 ILE 63 9.902 -3.817 -1.709 486 H SER 64 HN SER 64 8.688 -8.180 0.932 487 HA SER 64 HA SER 64 6.777 -8.684 3.003 488 HB2 SER 64 HB2 SER 64 8.652 -10.008 2.020 489 HB3 SER 64 HB1 SER 64 9.706 -9.133 3.097 490 HG SER 64 HG SER 64 8.865 -11.159 3.952 491 H GLU 65 HN GLU 65 8.529 -5.909 2.484 492 HA GLU 65 HA GLU 65 8.985 -4.071 3.732 493 HB2 GLU 65 HB2 GLU 65 6.918 -4.762 5.115 494 HB3 GLU 65 HB1 GLU 65 8.027 -5.534 6.222 495 HG2 GLU 65 HG2 GLU 65 8.122 -2.590 5.591 496 HG3 GLU 65 HG1 GLU 65 7.145 -3.262 6.887 497 H ASN 66 HN ASN 66 9.999 -7.082 5.180 498 HA ASN 66 HA ASN 66 12.431 -6.103 6.304 499 HB2 ASN 66 HB2 ASN 66 11.423 -8.316 6.886 500 HB3 ASN 66 HB1 ASN 66 11.823 -8.884 5.270 501 HD21 ASN 66 HD21 ASN 66 13.129 -10.503 6.000 502 HD22 ASN 66 HD22 ASN 66 14.670 -10.231 6.722 503 H GLU 67 HN GLU 67 11.446 -6.627 3.212 504 HA GLU 67 HA GLU 67 14.165 -6.324 2.142 505 HB2 GLU 67 HB2 GLU 67 13.383 -7.404 0.114 506 HB3 GLU 67 HB1 GLU 67 12.979 -8.379 1.550 507 HG2 GLU 67 HG2 GLU 67 10.680 -7.498 1.443 508 HG3 GLU 67 HG1 GLU 67 11.175 -6.560 0.036 509 H GLU 68 HN GLU 68 14.330 -4.751 0.559 510 HA GLU 68 HA GLU 68 12.069 -3.250 -0.299 511 HB2 GLU 68 HB2 GLU 68 12.659 -1.105 0.709 512 HB3 GLU 68 HB1 GLU 68 12.445 -2.358 1.921 513 HG2 GLU 68 HG2 GLU 68 14.287 -1.424 2.778 514 HG3 GLU 68 HG1 GLU 68 15.030 -2.559 1.647 515 H THR 69 HN THR 69 12.712 -1.452 -1.786 516 HA THR 69 HA THR 69 15.324 -1.892 -3.045 517 HB THR 69 HB THR 69 14.020 -1.509 -5.230 518 HG1 THR 69 HG1 THR 69 11.984 -1.062 -3.773 519 HG21 THR 69 HG21 THR 69 13.543 -4.090 -3.724 520 HG22 THR 69 HG22 THR 69 14.989 -3.695 -4.648 521 HG23 THR 69 HG23 THR 69 13.445 -3.895 -5.475 522 H GLU 70 HN GLU 70 14.389 0.054 -1.172 523 HA GLU 70 HA GLU 70 13.610 2.366 -2.809 524 HB2 GLU 70 HB2 GLU 70 13.595 2.313 0.179 525 HB3 GLU 70 HB1 GLU 70 12.637 3.296 -0.914 526 HG2 GLU 70 HG2 GLU 70 12.407 0.377 -0.460 527 HG3 GLU 70 HG1 GLU 70 11.284 1.599 0.169 528 H ASP 71 HN ASP 71 16.225 0.955 -1.352 529 HA ASP 71 HA ASP 71 17.427 3.424 -0.577 530 HB2 ASP 71 HB2 ASP 71 17.725 1.112 0.566 531 HB3 ASP 71 HB1 ASP 71 18.916 0.819 -0.692 532 H LEU 72 HN LEU 72 16.901 2.009 -3.345 533 HA LEU 72 HA LEU 72 19.462 2.044 -4.631 534 HB2 LEU 72 HB2 LEU 72 16.725 1.951 -5.915 535 HB3 LEU 72 HB1 LEU 72 18.246 1.583 -6.692 536 HG LEU 72 HG LEU 72 16.988 -0.016 -4.460 537 HD11 LEU 72 HD11 LEU 72 17.292 -0.630 -7.383 538 HD12 LEU 72 HD12 LEU 72 15.787 -0.243 -6.548 539 HD13 LEU 72 HD13 LEU 72 16.659 -1.727 -6.156 540 HD21 LEU 72 HD21 LEU 72 19.422 -0.113 -4.356 541 HD22 LEU 72 HD22 LEU 72 19.487 -0.529 -6.070 542 HD23 LEU 72 HD23 LEU 72 18.758 -1.647 -4.918 543 H GLU 73 HN GLU 73 16.678 4.143 -4.484 544 HA GLU 73 HA GLU 73 18.227 6.255 -5.782 545 HB2 GLU 73 HB2 GLU 73 15.255 6.052 -5.237 546 HB3 GLU 73 HB1 GLU 73 16.048 7.429 -5.977 547 HG2 GLU 73 HG2 GLU 73 16.757 5.957 -7.834 548 HG3 GLU 73 HG1 GLU 73 15.829 4.648 -7.105 549 H HIS 74 HN HIS 74 17.133 8.478 -4.692 550 HA HIS 74 HA HIS 74 17.296 8.174 -1.794 551 HB2 HIS 74 HB2 HIS 74 19.553 8.792 -2.972 552 HB3 HIS 74 HB1 HIS 74 18.796 10.348 -3.269 553 HD1 HIS 74 HD1 HIS 74 19.623 12.039 -1.543 554 HD2 HIS 74 HD2 HIS 74 19.252 8.187 0.000 555 HE1 HIS 74 HE1 HIS 74 20.349 12.157 0.851 556 H HIS 75 HN HIS 75 16.356 10.230 -0.766 557 HA HIS 75 HA HIS 75 14.058 11.111 -2.154 558 HB2 HIS 75 HB2 HIS 75 15.420 12.282 0.284 559 HB3 HIS 75 HB1 HIS 75 13.923 12.924 -0.367 560 HD1 HIS 75 HD1 HIS 75 15.020 10.772 2.226 561 HD2 HIS 75 HD2 HIS 75 11.922 10.657 -0.540 562 HE1 HIS 75 HE1 HIS 75 13.295 9.198 3.174 563 H HIS 76 HN HIS 76 17.235 12.476 -1.783 564 HA HIS 76 HA HIS 76 16.902 13.956 -4.204 565 HB2 HIS 76 HB2 HIS 76 16.161 15.515 -2.289 566 HB3 HIS 76 HB1 HIS 76 17.808 15.414 -1.699 567 HD1 HIS 76 HD1 HIS 76 15.719 17.387 -3.859 568 HD2 HIS 76 HD2 HIS 76 19.747 16.389 -3.729 569 HE1 HIS 76 HE1 HIS 76 16.908 19.077 -5.315 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -8.107 6.858 -11.305 2 H2 ALA 1 HT2 ALA 1 -9.646 6.611 -10.715 3 H3 ALA 1 HT3 ALA 1 -8.666 5.275 -11.064 4 HA ALA 1 HA ALA 1 -8.810 5.694 -8.688 5 HB1 ALA 1 HB1 ALA 1 -6.750 4.722 -9.593 6 HB2 ALA 1 HB2 ALA 1 -6.392 5.791 -8.239 7 HB3 ALA 1 HB3 ALA 1 -6.114 6.338 -9.892 8 H ASP 2 HN ASP 2 -8.836 7.213 -7.001 9 HA ASP 2 HA ASP 2 -7.830 9.846 -7.525 10 HB2 ASP 2 HB2 ASP 2 -9.916 11.031 -6.995 11 HB3 ASP 2 HB1 ASP 2 -10.107 10.051 -8.438 12 H LYS 3 HN LYS 3 -8.599 11.230 -5.500 13 HA LYS 3 HA LYS 3 -8.119 9.576 -3.127 14 HB2 LYS 3 HB2 LYS 3 -6.231 11.154 -4.099 15 HB3 LYS 3 HB1 LYS 3 -7.222 12.423 -3.401 16 HG2 LYS 3 HG2 LYS 3 -5.516 11.902 -1.838 17 HG3 LYS 3 HG1 LYS 3 -7.035 11.273 -1.203 18 HD2 LYS 3 HD2 LYS 3 -5.426 9.578 -0.803 19 HD3 LYS 3 HD1 LYS 3 -6.364 9.015 -2.173 20 HE2 LYS 3 HE2 LYS 3 -3.640 10.339 -2.335 21 HE3 LYS 3 HE1 LYS 3 -3.909 8.606 -2.405 22 HZ1 LYS 3 HZ1 LYS 3 -5.237 9.093 -4.512 23 HZ2 LYS 3 HZ2 LYS 3 -3.596 9.369 -4.607 24 HZ3 LYS 3 HZ3 LYS 3 -4.612 10.660 -4.444 25 H GLN 4 HN GLN 4 -9.169 10.512 -1.215 26 HA GLN 4 HA GLN 4 -11.823 11.158 -1.549 27 HB2 GLN 4 HB2 GLN 4 -10.795 10.305 0.557 28 HB3 GLN 4 HB1 GLN 4 -10.121 11.901 0.858 29 HG2 GLN 4 HG2 GLN 4 -12.031 11.634 2.218 30 HG3 GLN 4 HG1 GLN 4 -12.470 12.750 0.930 31 HE21 GLN 4 HE21 GLN 4 -14.074 10.981 2.629 32 HE22 GLN 4 HE22 GLN 4 -15.023 10.030 1.550 33 H THR 5 HN THR 5 -9.629 13.534 -0.089 34 HA THR 5 HA THR 5 -10.489 15.574 -1.950 35 HB THR 5 HB THR 5 -10.641 17.146 0.102 36 HG1 THR 5 HG1 THR 5 -11.231 16.147 2.052 37 HG21 THR 5 HG21 THR 5 -13.034 16.636 0.530 38 HG22 THR 5 HG22 THR 5 -12.824 15.080 -0.278 39 HG23 THR 5 HG23 THR 5 -12.641 16.576 -1.188 40 H HIS 6 HN HIS 6 -8.819 15.205 1.068 41 HA HIS 6 HA HIS 6 -6.199 15.660 -0.192 42 HB2 HIS 6 HB2 HIS 6 -7.137 16.702 2.520 43 HB3 HIS 6 HB1 HIS 6 -5.511 16.852 1.892 44 HD1 HIS 6 HD1 HIS 6 -5.022 18.959 0.606 45 HD2 HIS 6 HD2 HIS 6 -9.085 18.289 1.074 46 HE1 HIS 6 HE1 HIS 6 -6.179 21.051 -0.190 47 H GLU 7 HN GLU 7 -4.697 15.016 2.050 48 HA GLU 7 HA GLU 7 -5.585 12.350 2.589 49 HB2 GLU 7 HB2 GLU 7 -3.100 13.826 3.463 50 HB3 GLU 7 HB1 GLU 7 -3.462 12.167 3.926 51 HG2 GLU 7 HG2 GLU 7 -3.461 11.472 1.628 52 HG3 GLU 7 HG1 GLU 7 -3.191 13.121 1.086 53 H THR 8 HN THR 8 -7.369 12.661 3.552 54 HA THR 8 HA THR 8 -7.459 13.629 6.304 55 HB THR 8 HB THR 8 -9.583 13.809 4.106 56 HG1 THR 8 HG1 THR 8 -7.552 15.572 4.907 57 HG21 THR 8 HG21 THR 8 -10.531 15.588 5.552 58 HG22 THR 8 HG22 THR 8 -9.326 15.210 6.787 59 HG23 THR 8 HG23 THR 8 -10.544 14.015 6.325 60 H GLU 9 HN GLU 9 -10.027 12.467 6.746 61 HA GLU 9 HA GLU 9 -9.595 9.666 6.698 62 HB2 GLU 9 HB2 GLU 9 -12.094 11.308 7.084 63 HB3 GLU 9 HB1 GLU 9 -12.061 9.558 7.245 64 HG2 GLU 9 HG2 GLU 9 -10.667 9.670 9.134 65 HG3 GLU 9 HG1 GLU 9 -10.309 11.374 8.885 66 H LEU 10 HN LEU 10 -10.176 8.126 5.220 67 HA LEU 10 HA LEU 10 -11.647 9.040 2.868 68 HB2 LEU 10 HB2 LEU 10 -9.575 6.952 2.525 69 HB3 LEU 10 HB1 LEU 10 -10.156 8.165 1.412 70 HG LEU 10 HG LEU 10 -8.782 9.805 2.940 71 HD11 LEU 10 HD11 LEU 10 -7.400 7.186 3.474 72 HD12 LEU 10 HD12 LEU 10 -8.263 8.167 4.653 73 HD13 LEU 10 HD13 LEU 10 -6.790 8.787 3.901 74 HD21 LEU 10 HD21 LEU 10 -7.487 7.877 1.037 75 HD22 LEU 10 HD22 LEU 10 -6.825 9.441 1.531 76 HD23 LEU 10 HD23 LEU 10 -8.323 9.369 0.591 77 H THR 11 HN THR 11 -12.081 6.824 1.558 78 HA THR 11 HA THR 11 -13.371 5.072 3.487 79 HB THR 11 HB THR 11 -14.696 4.341 1.526 80 HG1 THR 11 HG1 THR 11 -14.310 5.742 -0.420 81 HG21 THR 11 HG21 THR 11 -14.505 7.339 1.758 82 HG22 THR 11 HG22 THR 11 -15.489 6.305 2.799 83 HG23 THR 11 HG23 THR 11 -15.877 6.463 1.081 84 H PHE 12 HN PHE 12 -13.507 2.741 2.515 85 HA PHE 12 HA PHE 12 -10.851 1.781 2.512 86 HB2 PHE 12 HB2 PHE 12 -12.621 0.397 3.448 87 HB3 PHE 12 HB1 PHE 12 -13.462 0.351 1.912 88 HD1 PHE 12 HD1 PHE 12 -13.379 -1.665 0.865 89 HD2 PHE 12 HD2 PHE 12 -9.984 -0.438 3.125 90 HE1 PHE 12 HE1 PHE 12 -12.228 -3.759 0.285 91 HE2 PHE 12 HE2 PHE 12 -8.847 -2.504 2.548 92 HZ PHE 12 HZ PHE 12 -9.944 -4.177 1.132 93 H ASP 13 HN ASP 13 -13.210 2.269 0.097 94 HA ASP 13 HA ASP 13 -11.820 1.445 -2.192 95 HB2 ASP 13 HB2 ASP 13 -13.940 3.570 -1.866 96 HB3 ASP 13 HB1 ASP 13 -13.249 3.182 -3.434 97 H GLN 14 HN GLN 14 -11.677 4.404 -0.463 98 HA GLN 14 HA GLN 14 -10.064 5.729 -2.479 99 HB2 GLN 14 HB2 GLN 14 -10.822 6.638 0.292 100 HB3 GLN 14 HB1 GLN 14 -9.774 7.561 -0.791 101 HG2 GLN 14 HG2 GLN 14 -12.560 6.742 -1.454 102 HG3 GLN 14 HG1 GLN 14 -12.124 8.299 -0.754 103 HE21 GLN 14 HE21 GLN 14 -12.762 9.475 -2.508 104 HE22 GLN 14 HE22 GLN 14 -11.887 9.404 -4.019 105 H VAL 15 HN VAL 15 -9.552 4.029 0.465 106 HA VAL 15 HA VAL 15 -6.834 4.826 0.671 107 HB VAL 15 HB VAL 15 -8.450 2.767 2.185 108 HG11 VAL 15 HG11 VAL 15 -6.175 1.886 1.928 109 HG12 VAL 15 HG12 VAL 15 -6.278 2.565 3.576 110 HG13 VAL 15 HG13 VAL 15 -5.524 3.475 2.244 111 HG21 VAL 15 HG21 VAL 15 -8.737 5.127 2.732 112 HG22 VAL 15 HG22 VAL 15 -6.984 5.250 3.016 113 HG23 VAL 15 HG23 VAL 15 -7.967 4.239 4.051 114 H LYS 16 HN LYS 16 -8.589 1.953 -0.576 115 HA LYS 16 HA LYS 16 -6.415 0.569 -1.308 116 HB2 LYS 16 HB2 LYS 16 -9.190 0.924 -2.253 117 HB3 LYS 16 HB1 LYS 16 -8.086 0.059 -3.290 118 HG2 LYS 16 HG2 LYS 16 -7.628 -1.463 -1.307 119 HG3 LYS 16 HG1 LYS 16 -8.935 -0.631 -0.472 120 HD2 LYS 16 HD2 LYS 16 -9.234 -2.103 -3.098 121 HD3 LYS 16 HD1 LYS 16 -9.623 -2.777 -1.520 122 HE2 LYS 16 HE2 LYS 16 -11.338 -1.102 -1.185 123 HE3 LYS 16 HE1 LYS 16 -10.895 -0.307 -2.692 124 HZ1 LYS 16 HZ1 LYS 16 -12.878 -1.742 -2.917 125 HZ2 LYS 16 HZ2 LYS 16 -11.976 -3.085 -2.509 126 HZ3 LYS 16 HZ3 LYS 16 -11.632 -2.227 -3.915 127 H GLU 17 HN GLU 17 -8.153 3.110 -3.072 128 HA GLU 17 HA GLU 17 -6.304 3.064 -5.113 129 HB2 GLU 17 HB2 GLU 17 -8.605 4.656 -4.498 130 HB3 GLU 17 HB1 GLU 17 -7.342 5.575 -5.315 131 HG2 GLU 17 HG2 GLU 17 -8.917 4.524 -6.906 132 HG3 GLU 17 HG1 GLU 17 -7.259 3.997 -7.122 133 H GLN 18 HN GLN 18 -5.935 4.680 -2.031 134 HA GLN 18 HA GLN 18 -3.998 6.400 -3.040 135 HB2 GLN 18 HB2 GLN 18 -3.412 7.029 -0.778 136 HB3 GLN 18 HB1 GLN 18 -5.123 6.628 -0.789 137 HG2 GLN 18 HG2 GLN 18 -4.736 4.569 0.254 138 HG3 GLN 18 HG1 GLN 18 -2.993 4.771 0.113 139 HE21 GLN 18 HE21 GLN 18 -5.851 5.890 1.780 140 HE22 GLN 18 HE22 GLN 18 -4.996 6.628 3.088 141 H LEU 19 HN LEU 19 -3.905 3.363 -1.605 142 HA LEU 19 HA LEU 19 -1.152 2.924 -1.697 143 HB2 LEU 19 HB2 LEU 19 -3.585 1.341 -1.330 144 HB3 LEU 19 HB1 LEU 19 -2.040 0.554 -1.450 145 HG LEU 19 HG LEU 19 -2.831 2.666 0.603 146 HD11 LEU 19 HD11 LEU 19 -2.524 -0.281 0.911 147 HD12 LEU 19 HD12 LEU 19 -4.037 0.638 0.941 148 HD13 LEU 19 HD13 LEU 19 -2.842 0.857 2.223 149 HD21 LEU 19 HD21 LEU 19 -0.766 2.032 1.778 150 HD22 LEU 19 HD22 LEU 19 -0.420 2.696 0.187 151 HD23 LEU 19 HD23 LEU 19 -0.346 0.954 0.450 152 H THR 20 HN THR 20 -3.812 2.037 -3.870 153 HA THR 20 HA THR 20 -2.501 0.444 -5.685 154 HB THR 20 HB THR 20 -4.643 2.534 -6.097 155 HG1 THR 20 HG1 THR 20 -6.081 0.980 -5.894 156 HG21 THR 20 HG21 THR 20 -5.207 1.380 -8.231 157 HG22 THR 20 HG22 THR 20 -3.710 0.437 -8.078 158 HG23 THR 20 HG23 THR 20 -3.651 2.200 -8.221 159 H GLU 21 HN GLU 21 -2.915 3.934 -5.673 160 HA GLU 21 HA GLU 21 -1.596 4.511 -8.060 161 HB2 GLU 21 HB2 GLU 21 -3.252 5.837 -7.041 162 HB3 GLU 21 HB1 GLU 21 -2.308 6.055 -5.586 163 HG2 GLU 21 HG2 GLU 21 -0.707 7.419 -6.848 164 HG3 GLU 21 HG1 GLU 21 -1.689 7.202 -8.304 165 H SER 22 HN SER 22 -0.652 4.474 -4.784 166 HA SER 22 HA SER 22 1.975 5.557 -5.035 167 HB2 SER 22 HB2 SER 22 0.967 3.691 -2.874 168 HB3 SER 22 HB1 SER 22 2.418 4.691 -2.781 169 HG SER 22 HG SER 22 -0.296 5.514 -2.912 170 H GLY 23 HN GLY 23 0.840 2.244 -4.824 171 HA2 GLY 23 HA2 GLY 23 3.336 0.918 -5.102 172 HA3 GLY 23 HA1 GLY 23 1.764 0.239 -5.486 173 H LYS 24 HN LYS 24 0.983 2.098 -7.450 174 HA LYS 24 HA LYS 24 2.188 1.010 -9.718 175 HB2 LYS 24 HB2 LYS 24 0.363 3.335 -9.295 176 HB3 LYS 24 HB1 LYS 24 0.827 2.746 -10.885 177 HG2 LYS 24 HG2 LYS 24 -0.320 0.956 -8.805 178 HG3 LYS 24 HG1 LYS 24 -1.406 1.903 -9.792 179 HD2 LYS 24 HD2 LYS 24 0.652 -0.214 -10.738 180 HD3 LYS 24 HD1 LYS 24 -1.078 -0.429 -10.633 181 HE2 LYS 24 HE2 LYS 24 -1.509 1.080 -12.318 182 HE3 LYS 24 HE1 LYS 24 0.134 1.705 -12.326 183 HZ1 LYS 24 HZ1 LYS 24 -0.646 -1.051 -13.239 184 HZ2 LYS 24 HZ2 LYS 24 0.906 -0.388 -13.259 185 HZ3 LYS 24 HZ3 LYS 24 -0.281 0.260 -14.214 186 H LYS 25 HN LYS 25 2.801 4.021 -7.980 187 HA LYS 25 HA LYS 25 4.466 5.149 -9.967 188 HB2 LYS 25 HB2 LYS 25 4.210 5.653 -7.014 189 HB3 LYS 25 HB1 LYS 25 5.186 6.638 -8.098 190 HG2 LYS 25 HG2 LYS 25 3.181 7.256 -9.336 191 HG3 LYS 25 HG1 LYS 25 2.206 6.232 -8.285 192 HD2 LYS 25 HD2 LYS 25 2.005 8.550 -7.603 193 HD3 LYS 25 HD1 LYS 25 2.855 7.625 -6.363 194 HE2 LYS 25 HE2 LYS 25 3.910 9.794 -6.709 195 HE3 LYS 25 HE1 LYS 25 5.001 8.496 -7.186 196 HZ1 LYS 25 HZ1 LYS 25 3.391 10.212 -9.005 197 HZ2 LYS 25 HZ2 LYS 25 4.349 8.924 -9.509 198 HZ3 LYS 25 HZ3 LYS 25 5.056 10.261 -8.784 199 H ARG 26 HN ARG 26 4.940 3.154 -7.233 200 HA ARG 26 HA ARG 26 7.833 3.311 -7.322 201 HB2 ARG 26 HB2 ARG 26 6.104 1.447 -5.759 202 HB3 ARG 26 HB1 ARG 26 7.808 1.728 -5.503 203 HG2 ARG 26 HG2 ARG 26 7.310 4.029 -4.818 204 HG3 ARG 26 HG1 ARG 26 5.584 3.710 -5.083 205 HD2 ARG 26 HD2 ARG 26 5.739 1.811 -3.555 206 HD3 ARG 26 HD1 ARG 26 7.407 2.252 -3.195 207 HE ARG 26 HE ARG 26 5.772 4.427 -2.682 208 HH11 ARG 26 HH11 ARG 26 6.488 1.140 -1.542 209 HH12 ARG 26 HH12 ARG 26 5.800 1.355 -0.009 210 HH21 ARG 26 HH21 ARG 26 4.844 4.742 -0.421 211 HH22 ARG 26 HH22 ARG 26 4.888 3.369 0.599 212 H GLY 27 HN GLY 27 5.440 0.775 -7.703 213 HA2 GLY 27 HA2 GLY 27 5.523 -0.915 -9.298 214 HA3 GLY 27 HA1 GLY 27 7.297 -0.909 -9.225 215 H VAL 28 HN VAL 28 6.064 -0.401 -6.197 216 HA VAL 28 HA VAL 28 5.693 -3.141 -5.415 217 HB VAL 28 HB VAL 28 8.133 -2.861 -5.866 218 HG11 VAL 28 HG11 VAL 28 8.483 -0.611 -5.188 219 HG12 VAL 28 HG12 VAL 28 9.495 -1.662 -4.182 220 HG13 VAL 28 HG13 VAL 28 7.990 -0.999 -3.542 221 HG21 VAL 28 HG21 VAL 28 8.851 -3.917 -3.760 222 HG22 VAL 28 HG22 VAL 28 7.367 -4.570 -4.502 223 HG23 VAL 28 HG23 VAL 28 7.248 -3.478 -3.114 224 H LEU 29 HN LEU 29 5.229 -3.322 -3.250 225 HA LEU 29 HA LEU 29 5.092 -0.977 -1.586 226 HB2 LEU 29 HB2 LEU 29 2.766 -2.700 -2.370 227 HB3 LEU 29 HB1 LEU 29 2.776 -1.835 -0.856 228 HG LEU 29 HG LEU 29 2.914 -0.538 -3.585 229 HD11 LEU 29 HD11 LEU 29 0.784 -1.700 -3.209 230 HD12 LEU 29 HD12 LEU 29 0.570 0.052 -3.178 231 HD13 LEU 29 HD13 LEU 29 0.608 -0.864 -1.670 232 HD21 LEU 29 HD21 LEU 29 2.434 0.575 -0.832 233 HD22 LEU 29 HD22 LEU 29 2.314 1.482 -2.338 234 HD23 LEU 29 HD23 LEU 29 3.879 0.838 -1.821 235 H THR 30 HN THR 30 5.593 -1.641 0.532 236 HA THR 30 HA THR 30 6.018 -4.403 1.070 237 HB THR 30 HB THR 30 6.240 -3.676 3.501 238 HG1 THR 30 HG1 THR 30 5.803 -1.129 2.350 239 HG21 THR 30 HG21 THR 30 8.217 -3.964 2.242 240 HG22 THR 30 HG22 THR 30 8.378 -2.483 3.187 241 HG23 THR 30 HG23 THR 30 8.034 -2.392 1.451 242 H TYR 31 HN TYR 31 4.741 -5.822 2.222 243 HA TYR 31 HA TYR 31 1.971 -5.651 2.151 244 HB2 TYR 31 HB2 TYR 31 3.746 -7.331 3.916 245 HB3 TYR 31 HB1 TYR 31 1.998 -7.446 3.962 246 HD1 TYR 31 HD1 TYR 31 4.963 -8.641 2.430 247 HD2 TYR 31 HD2 TYR 31 0.835 -8.012 1.733 248 HE1 TYR 31 HE1 TYR 31 5.037 -10.286 0.626 249 HE2 TYR 31 HE2 TYR 31 0.875 -9.656 -0.071 250 HH TYR 31 HH TYR 31 3.502 -11.764 -0.557 251 H GLU 32 HN GLU 32 4.117 -4.781 4.795 252 HA GLU 32 HA GLU 32 2.003 -4.448 6.646 253 HB2 GLU 32 HB2 GLU 32 4.302 -4.947 7.364 254 HB3 GLU 32 HB1 GLU 32 4.794 -3.338 6.846 255 HG2 GLU 32 HG2 GLU 32 3.261 -2.337 8.444 256 HG3 GLU 32 HG1 GLU 32 2.749 -3.937 8.965 257 H GLU 33 HN GLU 33 3.510 -2.191 4.366 258 HA GLU 33 HA GLU 33 2.460 0.066 5.801 259 HB2 GLU 33 HB2 GLU 33 3.354 1.452 4.084 260 HB3 GLU 33 HB1 GLU 33 4.508 0.161 4.317 261 HG2 GLU 33 HG2 GLU 33 3.600 -0.972 2.327 262 HG3 GLU 33 HG1 GLU 33 2.523 0.410 2.080 263 H ILE 34 HN ILE 34 1.403 -2.133 3.470 264 HA ILE 34 HA ILE 34 -0.794 -0.677 2.460 265 HB ILE 34 HB ILE 34 -0.219 -3.644 2.564 266 HG12 ILE 34 HG12 ILE 34 -0.027 -1.651 0.302 267 HG13 ILE 34 HG11 ILE 34 1.336 -2.238 1.250 268 HG21 ILE 34 HG21 ILE 34 -2.007 -3.881 0.875 269 HG22 ILE 34 HG22 ILE 34 -2.374 -2.165 1.061 270 HG23 ILE 34 HG23 ILE 34 -2.613 -3.262 2.416 271 HD11 ILE 34 HD11 ILE 34 -0.449 -3.914 -0.486 272 HD12 ILE 34 HD12 ILE 34 0.966 -4.473 0.423 273 HD13 ILE 34 HD13 ILE 34 1.155 -3.322 -0.900 274 H ALA 35 HN ALA 35 -0.277 -2.920 5.194 275 HA ALA 35 HA ALA 35 -2.956 -3.228 5.880 276 HB1 ALA 35 HB1 ALA 35 -2.054 -4.224 7.923 277 HB2 ALA 35 HB2 ALA 35 -0.445 -3.644 7.498 278 HB3 ALA 35 HB3 ALA 35 -1.244 -4.848 6.487 279 H GLU 36 HN GLU 36 -0.536 -0.829 6.454 280 HA GLU 36 HA GLU 36 -1.264 0.217 8.928 281 HB2 GLU 36 HB2 GLU 36 0.830 0.720 7.721 282 HB3 GLU 36 HB1 GLU 36 -0.096 1.638 6.542 283 HG2 GLU 36 HG2 GLU 36 -0.887 3.044 8.516 284 HG3 GLU 36 HG1 GLU 36 0.422 2.289 9.424 285 H ARG 37 HN ARG 37 -2.148 1.348 5.607 286 HA ARG 37 HA ARG 37 -3.835 3.352 6.600 287 HB2 ARG 37 HB2 ARG 37 -3.726 2.137 3.836 288 HB3 ARG 37 HB1 ARG 37 -4.350 3.720 4.273 289 HG2 ARG 37 HG2 ARG 37 -1.485 2.866 4.567 290 HG3 ARG 37 HG1 ARG 37 -2.115 3.797 3.217 291 HD2 ARG 37 HD2 ARG 37 -2.534 5.687 4.537 292 HD3 ARG 37 HD1 ARG 37 -2.459 4.778 6.046 293 HE ARG 37 HE ARG 37 -0.130 4.793 5.931 294 HH11 ARG 37 HH11 ARG 37 -1.464 6.638 3.155 295 HH12 ARG 37 HH12 ARG 37 0.011 7.464 2.927 296 HH21 ARG 37 HH21 ARG 37 1.810 5.917 5.498 297 HH22 ARG 37 HH22 ARG 37 1.856 7.069 4.230 298 H MET 38 HN MET 38 -4.222 -0.008 5.960 299 HA MET 38 HA MET 38 -7.092 0.176 5.770 300 HB2 MET 38 HB2 MET 38 -5.405 -2.323 6.051 301 HB3 MET 38 HB1 MET 38 -7.095 -2.242 5.656 302 HG2 MET 38 HG2 MET 38 -4.886 -1.140 3.974 303 HG3 MET 38 HG1 MET 38 -5.757 -2.653 3.685 304 HE1 MET 38 HE1 MET 38 -6.457 -1.998 1.235 305 HE2 MET 38 HE2 MET 38 -5.415 -0.605 1.469 306 HE3 MET 38 HE3 MET 38 -7.042 -0.385 0.812 307 H SER 39 HN SER 39 -4.894 0.303 8.229 308 HA SER 39 HA SER 39 -6.230 -1.295 10.161 309 HB2 SER 39 HB2 SER 39 -3.748 -0.711 10.132 310 HB3 SER 39 HB1 SER 39 -4.212 0.908 10.640 311 HG SER 39 HG SER 39 -4.407 -1.529 11.988 312 H SER 40 HN SER 40 -6.769 1.798 8.832 313 HA SER 40 HA SER 40 -8.180 2.984 10.992 314 HB2 SER 40 HB2 SER 40 -8.475 3.428 8.010 315 HB3 SER 40 HB1 SER 40 -8.952 4.548 9.284 316 HG SER 40 HG SER 40 -6.739 4.674 9.883 317 H PHE 41 HN PHE 41 -8.841 0.638 8.552 318 HA PHE 41 HA PHE 41 -11.712 0.484 9.180 319 HB2 PHE 41 HB2 PHE 41 -10.134 -0.964 7.059 320 HB3 PHE 41 HB1 PHE 41 -11.873 -0.784 7.074 321 HD1 PHE 41 HD1 PHE 41 -9.013 0.206 5.584 322 HD2 PHE 41 HD2 PHE 41 -12.549 1.861 7.211 323 HE1 PHE 41 HE1 PHE 41 -8.666 2.221 4.253 324 HE2 PHE 41 HE2 PHE 41 -12.225 3.892 5.870 325 HZ PHE 41 HZ PHE 41 -10.270 4.068 4.400 326 H GLU 42 HN GLU 42 -12.204 -2.098 8.806 327 HA GLU 42 HA GLU 42 -10.220 -3.605 10.338 328 HB2 GLU 42 HB2 GLU 42 -13.225 -3.989 10.350 329 HB3 GLU 42 HB1 GLU 42 -12.062 -4.943 11.255 330 HG2 GLU 42 HG2 GLU 42 -11.444 -2.996 12.569 331 HG3 GLU 42 HG1 GLU 42 -12.567 -2.003 11.642 332 H ILE 43 HN ILE 43 -9.208 -4.404 8.565 333 HA ILE 43 HA ILE 43 -10.839 -5.790 6.570 334 HB ILE 43 HB ILE 43 -8.047 -4.694 6.303 335 HG12 ILE 43 HG12 ILE 43 -9.712 -2.942 6.607 336 HG13 ILE 43 HG11 ILE 43 -8.992 -2.897 5.006 337 HG21 ILE 43 HG21 ILE 43 -9.927 -5.751 4.212 338 HG22 ILE 43 HG22 ILE 43 -8.509 -6.591 4.833 339 HG23 ILE 43 HG23 ILE 43 -8.316 -5.093 3.915 340 HD11 ILE 43 HD11 ILE 43 -11.361 -2.503 4.862 341 HD12 ILE 43 HD12 ILE 43 -11.687 -4.009 5.746 342 HD13 ILE 43 HD13 ILE 43 -10.942 -4.062 4.139 343 H GLU 44 HN GLU 44 -10.691 -7.809 6.627 344 HA GLU 44 HA GLU 44 -8.928 -9.321 8.292 345 HB2 GLU 44 HB2 GLU 44 -10.718 -10.266 6.036 346 HB3 GLU 44 HB1 GLU 44 -9.963 -11.288 7.234 347 HG2 GLU 44 HG2 GLU 44 -11.283 -10.303 8.982 348 HG3 GLU 44 HG1 GLU 44 -11.960 -9.138 7.847 349 H SER 45 HN SER 45 -7.327 -10.821 7.580 350 HA SER 45 HA SER 45 -5.578 -9.859 5.617 351 HB2 SER 45 HB2 SER 45 -4.923 -11.249 7.613 352 HB3 SER 45 HB1 SER 45 -5.655 -12.643 6.825 353 HG SER 45 HG SER 45 -3.454 -11.100 5.976 354 H ASP 46 HN ASP 46 -8.210 -12.099 5.544 355 HA ASP 46 HA ASP 46 -7.774 -13.408 3.097 356 HB2 ASP 46 HB2 ASP 46 -10.383 -12.614 4.425 357 HB3 ASP 46 HB1 ASP 46 -10.242 -13.733 3.077 358 H GLN 47 HN GLN 47 -9.402 -10.400 3.927 359 HA GLN 47 HA GLN 47 -10.195 -9.748 1.253 360 HB2 GLN 47 HB2 GLN 47 -9.804 -7.861 3.557 361 HB3 GLN 47 HB1 GLN 47 -10.796 -7.603 2.135 362 HG2 GLN 47 HG2 GLN 47 -12.263 -9.435 2.892 363 HG3 GLN 47 HG1 GLN 47 -11.288 -9.570 4.345 364 HE21 GLN 47 HE21 GLN 47 -12.088 -6.567 2.736 365 HE22 GLN 47 HE22 GLN 47 -13.065 -5.927 3.994 366 H MET 48 HN MET 48 -7.518 -8.968 3.384 367 HA MET 48 HA MET 48 -6.335 -7.054 1.840 368 HB2 MET 48 HB2 MET 48 -5.110 -8.990 3.783 369 HB3 MET 48 HB1 MET 48 -4.107 -7.855 2.907 370 HG2 MET 48 HG2 MET 48 -6.460 -6.878 4.480 371 HG3 MET 48 HG1 MET 48 -4.949 -7.263 5.287 372 HE1 MET 48 HE1 MET 48 -5.297 -3.858 2.111 373 HE2 MET 48 HE2 MET 48 -6.623 -4.971 2.464 374 HE3 MET 48 HE3 MET 48 -5.172 -5.533 1.621 375 H ASP 49 HN ASP 49 -5.966 -10.585 1.634 376 HA ASP 49 HA ASP 49 -4.012 -10.601 -0.423 377 HB2 ASP 49 HB2 ASP 49 -4.549 -12.650 0.798 378 HB3 ASP 49 HB1 ASP 49 -6.159 -12.661 0.091 379 H GLU 50 HN GLU 50 -7.480 -10.334 -0.528 380 HA GLU 50 HA GLU 50 -7.769 -10.631 -3.264 381 HB2 GLU 50 HB2 GLU 50 -9.371 -8.803 -1.455 382 HB3 GLU 50 HB1 GLU 50 -9.862 -9.317 -3.059 383 HG2 GLU 50 HG2 GLU 50 -9.911 -11.643 -2.251 384 HG3 GLU 50 HG1 GLU 50 -9.516 -11.060 -0.638 385 H TYR 51 HN TYR 51 -7.061 -7.821 -1.279 386 HA TYR 51 HA TYR 51 -6.856 -6.015 -3.453 387 HB2 TYR 51 HB2 TYR 51 -7.287 -5.234 -1.172 388 HB3 TYR 51 HB1 TYR 51 -5.692 -5.776 -0.676 389 HD1 TYR 51 HD1 TYR 51 -4.497 -3.871 -0.123 390 HD2 TYR 51 HD2 TYR 51 -6.714 -3.906 -3.787 391 HE1 TYR 51 HE1 TYR 51 -3.486 -1.728 -0.787 392 HE2 TYR 51 HE2 TYR 51 -5.723 -1.778 -4.395 393 HH TYR 51 HH TYR 51 -4.620 0.089 -3.427 394 H TYR 52 HN TYR 52 -4.509 -8.082 -1.787 395 HA TYR 52 HA TYR 52 -2.217 -6.966 -2.952 396 HB2 TYR 52 HB2 TYR 52 -2.628 -9.781 -1.920 397 HB3 TYR 52 HB1 TYR 52 -1.073 -9.135 -2.425 398 HD1 TYR 52 HD1 TYR 52 -1.212 -6.414 -1.272 399 HD2 TYR 52 HD2 TYR 52 -2.338 -10.159 0.383 400 HE1 TYR 52 HE1 TYR 52 -0.842 -5.529 0.944 401 HE2 TYR 52 HE2 TYR 52 -1.983 -9.269 2.644 402 HH TYR 52 HH TYR 52 -0.719 -7.452 3.765 403 H GLU 53 HN GLU 53 -4.231 -9.682 -3.963 404 HA GLU 53 HA GLU 53 -2.781 -10.303 -6.245 405 HB2 GLU 53 HB2 GLU 53 -4.557 -11.681 -5.136 406 HB3 GLU 53 HB1 GLU 53 -5.752 -10.603 -5.843 407 HG2 GLU 53 HG2 GLU 53 -5.049 -11.237 -8.065 408 HG3 GLU 53 HG1 GLU 53 -3.773 -12.253 -7.392 409 H PHE 54 HN PHE 54 -5.370 -8.038 -5.654 410 HA PHE 54 HA PHE 54 -5.871 -7.150 -8.256 411 HB2 PHE 54 HB2 PHE 54 -7.382 -6.443 -6.541 412 HB3 PHE 54 HB1 PHE 54 -6.073 -5.810 -5.562 413 HD1 PHE 54 HD1 PHE 54 -8.183 -5.179 -8.496 414 HD2 PHE 54 HD2 PHE 54 -5.176 -3.691 -5.922 415 HE1 PHE 54 HE1 PHE 54 -8.493 -2.920 -9.442 416 HE2 PHE 54 HE2 PHE 54 -5.467 -1.434 -6.844 417 HZ PHE 54 HZ PHE 54 -7.101 -1.046 -8.586 418 H LEU 55 HN LEU 55 -3.664 -5.878 -5.798 419 HA LEU 55 HA LEU 55 -2.491 -3.869 -7.273 420 HB2 LEU 55 HB2 LEU 55 -1.440 -5.550 -5.031 421 HB3 LEU 55 HB1 LEU 55 -0.509 -4.227 -5.687 422 HG LEU 55 HG LEU 55 -3.244 -3.936 -4.459 423 HD11 LEU 55 HD11 LEU 55 -0.513 -3.313 -3.350 424 HD12 LEU 55 HD12 LEU 55 -1.556 -4.634 -2.827 425 HD13 LEU 55 HD13 LEU 55 -2.056 -2.963 -2.574 426 HD21 LEU 55 HD21 LEU 55 -2.733 -2.216 -6.122 427 HD22 LEU 55 HD22 LEU 55 -1.181 -1.916 -5.334 428 HD23 LEU 55 HD23 LEU 55 -2.681 -1.553 -4.489 429 H GLY 56 HN GLY 56 -1.519 -7.229 -6.899 430 HA2 GLY 56 HA2 GLY 56 0.787 -7.168 -8.468 431 HA3 GLY 56 HA1 GLY 56 -0.195 -8.600 -8.175 432 H GLU 57 HN GLU 57 -2.595 -7.777 -9.412 433 HA GLU 57 HA GLU 57 -2.084 -8.256 -12.079 434 HB2 GLU 57 HB2 GLU 57 -4.481 -7.175 -10.675 435 HB3 GLU 57 HB1 GLU 57 -4.473 -7.654 -12.367 436 HG2 GLU 57 HG2 GLU 57 -3.831 -9.938 -11.655 437 HG3 GLU 57 HG1 GLU 57 -3.965 -9.420 -9.978 438 H GLN 58 HN GLN 58 -2.518 -5.226 -10.369 439 HA GLN 58 HA GLN 58 -2.656 -3.595 -12.744 440 HB2 GLN 58 HB2 GLN 58 -2.012 -2.804 -9.893 441 HB3 GLN 58 HB1 GLN 58 -2.405 -1.707 -11.211 442 HG2 GLN 58 HG2 GLN 58 -4.255 -3.817 -10.133 443 HG3 GLN 58 HG1 GLN 58 -4.291 -2.117 -9.669 444 HE21 GLN 58 HE21 GLN 58 -6.277 -3.839 -11.017 445 HE22 GLN 58 HE22 GLN 58 -6.684 -3.013 -12.461 446 H GLY 59 HN GLY 59 -0.143 -4.316 -10.425 447 HA2 GLY 59 HA2 GLY 59 1.981 -4.819 -11.829 448 HA3 GLY 59 HA1 GLY 59 1.790 -3.133 -12.295 449 H VAL 60 HN VAL 60 1.248 -4.588 -9.117 450 HA VAL 60 HA VAL 60 3.536 -3.046 -8.116 451 HB VAL 60 HB VAL 60 1.021 -3.673 -6.581 452 HG11 VAL 60 HG11 VAL 60 3.273 -1.780 -6.007 453 HG12 VAL 60 HG12 VAL 60 2.991 -3.343 -5.246 454 HG13 VAL 60 HG13 VAL 60 1.851 -2.021 -4.989 455 HG21 VAL 60 HG21 VAL 60 0.383 -2.157 -8.381 456 HG22 VAL 60 HG22 VAL 60 1.721 -1.089 -7.963 457 HG23 VAL 60 HG23 VAL 60 0.374 -1.288 -6.840 458 H GLU 61 HN GLU 61 4.968 -4.376 -7.266 459 HA GLU 61 HA GLU 61 4.139 -7.073 -6.607 460 HB2 GLU 61 HB2 GLU 61 6.818 -5.726 -6.741 461 HB3 GLU 61 HB1 GLU 61 6.614 -7.410 -6.286 462 HG2 GLU 61 HG2 GLU 61 5.498 -7.802 -8.450 463 HG3 GLU 61 HG1 GLU 61 5.824 -6.134 -8.898 464 H LEU 62 HN LEU 62 3.967 -7.791 -4.514 465 HA LEU 62 HA LEU 62 4.355 -5.711 -2.552 466 HB2 LEU 62 HB2 LEU 62 2.948 -8.349 -2.234 467 HB3 LEU 62 HB1 LEU 62 2.957 -7.027 -1.089 468 HG LEU 62 HG LEU 62 0.913 -6.796 -1.990 469 HD11 LEU 62 HD11 LEU 62 1.919 -4.704 -2.166 470 HD12 LEU 62 HD12 LEU 62 0.795 -4.935 -3.511 471 HD13 LEU 62 HD13 LEU 62 2.533 -5.072 -3.777 472 HD21 LEU 62 HD21 LEU 62 0.984 -8.554 -3.588 473 HD22 LEU 62 HD22 LEU 62 1.914 -7.546 -4.721 474 HD23 LEU 62 HD23 LEU 62 0.251 -7.113 -4.282 475 H ILE 63 HN ILE 63 6.120 -5.668 -1.495 476 HA ILE 63 HA ILE 63 7.606 -8.146 -0.983 477 HB ILE 63 HB ILE 63 9.401 -6.645 -0.131 478 HG12 ILE 63 HG12 ILE 63 7.630 -4.463 -1.208 479 HG13 ILE 63 HG11 ILE 63 8.010 -4.755 0.476 480 HG21 ILE 63 HG21 ILE 63 8.489 -6.095 -2.914 481 HG22 ILE 63 HG22 ILE 63 9.496 -7.472 -2.388 482 HG23 ILE 63 HG23 ILE 63 10.113 -5.811 -2.286 483 HD11 ILE 63 HD11 ILE 63 9.996 -3.973 -1.648 484 HD12 ILE 63 HD12 ILE 63 10.339 -4.226 0.069 485 HD13 ILE 63 HD13 ILE 63 9.293 -2.902 -0.435 486 H SER 64 HN SER 64 8.644 -8.216 1.190 487 HA SER 64 HA SER 64 6.655 -8.245 3.193 488 HB2 SER 64 HB2 SER 64 8.405 -9.863 3.127 489 HB3 SER 64 HB1 SER 64 9.636 -8.636 3.315 490 HG SER 64 HG SER 64 7.722 -9.530 5.185 491 H GLU 65 HN GLU 65 9.629 -6.829 3.979 492 HA GLU 65 HA GLU 65 9.108 -4.131 4.120 493 HB2 GLU 65 HB2 GLU 65 7.241 -4.660 5.620 494 HB3 GLU 65 HB1 GLU 65 8.283 -5.568 6.684 495 HG2 GLU 65 HG2 GLU 65 8.914 -2.709 6.250 496 HG3 GLU 65 HG1 GLU 65 7.467 -3.082 7.178 497 H ASN 66 HN ASN 66 10.520 -6.898 5.621 498 HA ASN 66 HA ASN 66 12.948 -5.612 6.492 499 HB2 ASN 66 HB2 ASN 66 12.241 -7.741 7.502 500 HB3 ASN 66 HB1 ASN 66 12.338 -8.542 5.943 501 HD21 ASN 66 HD21 ASN 66 14.334 -9.283 5.230 502 HD22 ASN 66 HD22 ASN 66 15.769 -9.180 6.157 503 H GLU 67 HN GLU 67 11.778 -6.241 3.518 504 HA GLU 67 HA GLU 67 14.434 -6.308 2.291 505 HB2 GLU 67 HB2 GLU 67 13.474 -7.648 0.495 506 HB3 GLU 67 HB1 GLU 67 13.237 -8.439 2.071 507 HG2 GLU 67 HG2 GLU 67 10.947 -7.564 2.098 508 HG3 GLU 67 HG1 GLU 67 11.246 -6.845 0.520 509 H GLU 68 HN GLU 68 14.518 -5.205 0.285 510 HA GLU 68 HA GLU 68 12.444 -3.878 -1.005 511 HB2 GLU 68 HB2 GLU 68 13.276 -2.490 1.295 512 HB3 GLU 68 HB1 GLU 68 14.286 -1.807 0.032 513 HG2 GLU 68 HG2 GLU 68 11.261 -1.815 0.133 514 HG3 GLU 68 HG1 GLU 68 12.323 -0.432 0.339 515 H THR 69 HN THR 69 13.871 -2.231 -2.559 516 HA THR 69 HA THR 69 16.430 -3.543 -2.860 517 HB THR 69 HB THR 69 16.245 -3.140 -5.384 518 HG1 THR 69 HG1 THR 69 13.496 -3.042 -4.694 519 HG21 THR 69 HG21 THR 69 14.997 -5.223 -5.757 520 HG22 THR 69 HG22 THR 69 14.404 -5.151 -4.092 521 HG23 THR 69 HG23 THR 69 16.128 -5.368 -4.409 522 H GLU 70 HN GLU 70 14.910 -0.750 -2.303 523 HA GLU 70 HA GLU 70 16.769 1.037 -3.464 524 HB2 GLU 70 HB2 GLU 70 15.891 2.684 -1.849 525 HB3 GLU 70 HB1 GLU 70 14.572 1.811 -2.613 526 HG2 GLU 70 HG2 GLU 70 14.378 0.384 -0.667 527 HG3 GLU 70 HG1 GLU 70 15.713 1.212 0.105 528 H ASP 71 HN ASP 71 16.693 -0.930 -0.644 529 HA ASP 71 HA ASP 71 19.172 0.287 0.203 530 HB2 ASP 71 HB2 ASP 71 17.604 0.340 1.952 531 HB3 ASP 71 HB1 ASP 71 17.269 -1.385 1.779 532 H LEU 72 HN LEU 72 20.237 -0.648 -1.340 533 HA LEU 72 HA LEU 72 21.190 -3.315 -0.545 534 HB2 LEU 72 HB2 LEU 72 21.434 -1.952 -3.241 535 HB3 LEU 72 HB1 LEU 72 22.108 -3.515 -2.843 536 HG LEU 72 HG LEU 72 19.166 -2.850 -3.015 537 HD11 LEU 72 HD11 LEU 72 20.266 -2.909 -5.184 538 HD12 LEU 72 HD12 LEU 72 19.182 -4.286 -4.983 539 HD13 LEU 72 HD13 LEU 72 20.922 -4.505 -4.823 540 HD21 LEU 72 HD21 LEU 72 20.550 -5.484 -2.477 541 HD22 LEU 72 HD22 LEU 72 18.825 -5.274 -2.769 542 HD23 LEU 72 HD23 LEU 72 19.565 -4.565 -1.335 543 H GLU 73 HN GLU 73 21.619 -0.129 -0.223 544 HA GLU 73 HA GLU 73 24.400 -0.307 0.385 545 HB2 GLU 73 HB2 GLU 73 25.032 1.517 -1.156 546 HB3 GLU 73 HB1 GLU 73 24.461 0.033 -1.937 547 HG2 GLU 73 HG2 GLU 73 22.308 1.047 -2.374 548 HG3 GLU 73 HG1 GLU 73 22.840 2.537 -1.592 549 H HIS 74 HN HIS 74 21.510 0.602 1.503 550 HA HIS 74 HA HIS 74 22.276 3.305 2.293 551 HB2 HIS 74 HB2 HIS 74 19.685 1.767 2.687 552 HB3 HIS 74 HB1 HIS 74 19.990 3.352 3.375 553 HD1 HIS 74 HD1 HIS 74 17.611 3.417 1.678 554 HD2 HIS 74 HD2 HIS 74 21.414 3.750 0.020 555 HE1 HIS 74 HE1 HIS 74 17.306 4.500 -0.559 556 H HIS 75 HN HIS 75 21.733 0.101 3.458 557 HA HIS 75 HA HIS 75 22.208 0.488 6.185 558 HB2 HIS 75 HB2 HIS 75 21.444 -1.670 5.224 559 HB3 HIS 75 HB1 HIS 75 23.009 -1.880 4.451 560 HD1 HIS 75 HD1 HIS 75 24.771 -3.106 5.811 561 HD2 HIS 75 HD2 HIS 75 21.560 -1.801 8.107 562 HE1 HIS 75 HE1 HIS 75 25.125 -4.060 8.097 563 H HIS 76 HN HIS 76 24.660 -0.898 3.973 564 HA HIS 76 HA HIS 76 26.561 1.044 4.032 565 HB2 HIS 76 HB2 HIS 76 26.650 0.483 6.552 566 HB3 HIS 76 HB1 HIS 76 27.231 -1.106 6.087 567 HD1 HIS 76 HD1 HIS 76 28.499 2.061 7.178 568 HD2 HIS 76 HD2 HIS 76 29.727 -0.753 4.381 569 HE1 HIS 76 HE1 HIS 76 30.920 2.516 6.760 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -11.451 6.892 -6.361 2 H2 ALA 1 HT2 ALA 1 -11.927 8.056 -7.452 3 H3 ALA 1 HT3 ALA 1 -12.171 6.413 -7.826 4 HA ALA 1 HA ALA 1 -14.225 7.438 -7.173 5 HB1 ALA 1 HB1 ALA 1 -14.811 5.991 -5.294 6 HB2 ALA 1 HB2 ALA 1 -13.103 5.688 -4.987 7 HB3 ALA 1 HB3 ALA 1 -13.845 5.114 -6.482 8 H ASP 2 HN ASP 2 -15.360 8.755 -5.754 9 HA ASP 2 HA ASP 2 -13.699 10.126 -3.782 10 HB2 ASP 2 HB2 ASP 2 -14.288 11.730 -5.491 11 HB3 ASP 2 HB1 ASP 2 -15.986 11.269 -5.406 12 H LYS 3 HN LYS 3 -14.150 8.704 -2.242 13 HA LYS 3 HA LYS 3 -16.927 8.691 -1.218 14 HB2 LYS 3 HB2 LYS 3 -14.664 6.803 -0.552 15 HB3 LYS 3 HB1 LYS 3 -16.325 6.662 -0.021 16 HG2 LYS 3 HG2 LYS 3 -15.379 6.416 -2.863 17 HG3 LYS 3 HG1 LYS 3 -15.726 5.067 -1.785 18 HD2 LYS 3 HD2 LYS 3 -18.055 5.871 -1.602 19 HD3 LYS 3 HD1 LYS 3 -17.674 7.149 -2.761 20 HE2 LYS 3 HE2 LYS 3 -18.735 5.310 -3.902 21 HE3 LYS 3 HE1 LYS 3 -17.057 5.459 -4.412 22 HZ1 LYS 3 HZ1 LYS 3 -17.551 3.191 -4.092 23 HZ2 LYS 3 HZ2 LYS 3 -18.218 3.440 -2.581 24 HZ3 LYS 3 HZ3 LYS 3 -16.555 3.571 -2.783 25 H GLN 4 HN GLN 4 -14.014 10.165 -0.827 26 HA GLN 4 HA GLN 4 -14.008 9.967 2.053 27 HB2 GLN 4 HB2 GLN 4 -11.869 11.243 2.039 28 HB3 GLN 4 HB1 GLN 4 -11.778 9.770 1.112 29 HG2 GLN 4 HG2 GLN 4 -12.025 11.112 -0.965 30 HG3 GLN 4 HG1 GLN 4 -12.062 12.566 0.023 31 HE21 GLN 4 HE21 GLN 4 -9.997 10.031 -1.290 32 HE22 GLN 4 HE22 GLN 4 -8.550 10.756 -0.731 33 H THR 5 HN THR 5 -16.117 10.943 2.035 34 HA THR 5 HA THR 5 -16.125 13.836 1.928 35 HB THR 5 HB THR 5 -18.602 13.282 2.616 36 HG1 THR 5 HG1 THR 5 -18.580 11.174 3.014 37 HG21 THR 5 HG21 THR 5 -17.488 12.558 -0.106 38 HG22 THR 5 HG22 THR 5 -17.920 14.180 0.422 39 HG23 THR 5 HG23 THR 5 -19.173 12.944 0.241 40 H HIS 6 HN HIS 6 -15.053 11.715 3.996 41 HA HIS 6 HA HIS 6 -16.153 12.882 6.435 42 HB2 HIS 6 HB2 HIS 6 -16.007 10.344 6.007 43 HB3 HIS 6 HB1 HIS 6 -14.268 10.516 6.112 44 HD1 HIS 6 HD1 HIS 6 -15.256 8.589 8.066 45 HD2 HIS 6 HD2 HIS 6 -15.412 12.660 8.887 46 HE1 HIS 6 HE1 HIS 6 -15.364 8.804 10.560 47 H GLU 7 HN GLU 7 -14.583 13.815 7.961 48 HA GLU 7 HA GLU 7 -12.612 15.404 6.767 49 HB2 GLU 7 HB2 GLU 7 -13.055 14.792 9.679 50 HB3 GLU 7 HB1 GLU 7 -12.046 16.079 9.052 51 HG2 GLU 7 HG2 GLU 7 -13.996 17.132 8.060 52 HG3 GLU 7 HG1 GLU 7 -15.011 15.814 8.656 53 H THR 8 HN THR 8 -11.096 14.160 5.739 54 HA THR 8 HA THR 8 -9.148 13.165 5.383 55 HB THR 8 HB THR 8 -8.463 13.511 8.315 56 HG1 THR 8 HG1 THR 8 -7.584 15.586 7.277 57 HG21 THR 8 HG21 THR 8 -6.828 12.305 6.887 58 HG22 THR 8 HG22 THR 8 -6.192 13.851 7.449 59 HG23 THR 8 HG23 THR 8 -6.787 13.691 5.797 60 H GLU 9 HN GLU 9 -11.415 11.783 6.884 61 HA GLU 9 HA GLU 9 -10.044 9.259 7.364 62 HB2 GLU 9 HB2 GLU 9 -12.853 10.187 7.804 63 HB3 GLU 9 HB1 GLU 9 -12.326 8.532 8.124 64 HG2 GLU 9 HG2 GLU 9 -11.336 11.033 9.500 65 HG3 GLU 9 HG1 GLU 9 -12.501 9.891 10.165 66 H LEU 10 HN LEU 10 -10.106 7.774 5.850 67 HA LEU 10 HA LEU 10 -11.659 8.495 3.487 68 HB2 LEU 10 HB2 LEU 10 -9.384 6.577 3.288 69 HB3 LEU 10 HB1 LEU 10 -10.068 7.688 2.127 70 HG LEU 10 HG LEU 10 -8.989 9.516 3.669 71 HD11 LEU 10 HD11 LEU 10 -7.277 7.117 4.208 72 HD12 LEU 10 HD12 LEU 10 -8.278 7.959 5.392 73 HD13 LEU 10 HD13 LEU 10 -6.890 8.781 4.665 74 HD21 LEU 10 HD21 LEU 10 -7.393 7.780 1.794 75 HD22 LEU 10 HD22 LEU 10 -6.996 9.434 2.255 76 HD23 LEU 10 HD23 LEU 10 -8.470 9.099 1.321 77 H THR 11 HN THR 11 -12.079 6.421 2.143 78 HA THR 11 HA THR 11 -13.099 4.489 4.059 79 HB THR 11 HB THR 11 -14.814 3.948 2.444 80 HG1 THR 11 HG1 THR 11 -14.568 4.366 0.422 81 HG21 THR 11 HG21 THR 11 -14.421 6.928 2.510 82 HG22 THR 11 HG22 THR 11 -15.252 5.978 3.754 83 HG23 THR 11 HG23 THR 11 -15.935 6.113 2.123 84 H PHE 12 HN PHE 12 -13.440 2.354 2.763 85 HA PHE 12 HA PHE 12 -10.857 1.343 2.574 86 HB2 PHE 12 HB2 PHE 12 -12.774 -0.022 3.245 87 HB3 PHE 12 HB1 PHE 12 -13.423 0.073 1.610 88 HD1 PHE 12 HD1 PHE 12 -10.127 -0.708 3.147 89 HD2 PHE 12 HD2 PHE 12 -13.172 -1.849 0.433 90 HE1 PHE 12 HE1 PHE 12 -8.827 -2.664 2.556 91 HE2 PHE 12 HE2 PHE 12 -11.879 -3.849 -0.178 92 HZ PHE 12 HZ PHE 12 -9.671 -4.260 0.897 93 H ASP 13 HN ASP 13 -13.133 2.267 0.177 94 HA ASP 13 HA ASP 13 -11.745 1.578 -2.166 95 HB2 ASP 13 HB2 ASP 13 -13.651 3.862 -1.680 96 HB3 ASP 13 HB1 ASP 13 -12.961 3.534 -3.263 97 H GLN 14 HN GLN 14 -11.575 4.361 -0.146 98 HA GLN 14 HA GLN 14 -10.040 5.969 -1.954 99 HB2 GLN 14 HB2 GLN 14 -10.509 6.278 0.971 100 HB3 GLN 14 HB1 GLN 14 -9.903 7.550 -0.103 101 HG2 GLN 14 HG2 GLN 14 -12.611 6.254 -0.102 102 HG3 GLN 14 HG1 GLN 14 -12.247 7.911 0.381 103 HE21 GLN 14 HE21 GLN 14 -11.828 9.395 -1.189 104 HE22 GLN 14 HE22 GLN 14 -12.112 9.124 -2.882 105 H VAL 15 HN VAL 15 -9.407 3.989 0.822 106 HA VAL 15 HA VAL 15 -6.704 4.792 1.017 107 HB VAL 15 HB VAL 15 -8.188 2.497 2.327 108 HG11 VAL 15 HG11 VAL 15 -5.860 1.859 1.951 109 HG12 VAL 15 HG12 VAL 15 -6.055 2.243 3.673 110 HG13 VAL 15 HG13 VAL 15 -5.331 3.417 2.535 111 HG21 VAL 15 HG21 VAL 15 -6.987 5.047 3.371 112 HG22 VAL 15 HG22 VAL 15 -7.711 3.798 4.368 113 HG23 VAL 15 HG23 VAL 15 -8.714 4.685 3.208 114 H LYS 16 HN LYS 16 -8.468 2.061 -0.461 115 HA LYS 16 HA LYS 16 -6.322 0.740 -1.325 116 HB2 LYS 16 HB2 LYS 16 -9.109 1.119 -2.184 117 HB3 LYS 16 HB1 LYS 16 -8.039 0.338 -3.317 118 HG2 LYS 16 HG2 LYS 16 -7.447 -1.252 -1.390 119 HG3 LYS 16 HG1 LYS 16 -8.800 -0.530 -0.530 120 HD2 LYS 16 HD2 LYS 16 -8.997 -1.898 -3.219 121 HD3 LYS 16 HD1 LYS 16 -9.343 -2.659 -1.666 122 HE2 LYS 16 HE2 LYS 16 -11.144 -1.063 -1.282 123 HE3 LYS 16 HE1 LYS 16 -10.771 -0.266 -2.803 124 HZ1 LYS 16 HZ1 LYS 16 -11.628 -3.096 -2.547 125 HZ2 LYS 16 HZ2 LYS 16 -11.383 -2.263 -3.986 126 HZ3 LYS 16 HZ3 LYS 16 -12.652 -1.837 -2.976 127 H GLU 17 HN GLU 17 -8.019 3.493 -2.837 128 HA GLU 17 HA GLU 17 -6.314 3.552 -5.038 129 HB2 GLU 17 HB2 GLU 17 -7.865 5.831 -3.847 130 HB3 GLU 17 HB1 GLU 17 -7.023 5.898 -5.382 131 HG2 GLU 17 HG2 GLU 17 -8.436 3.971 -6.129 132 HG3 GLU 17 HG1 GLU 17 -9.387 4.209 -4.654 133 H GLN 18 HN GLN 18 -5.755 4.839 -1.778 134 HA GLN 18 HA GLN 18 -3.714 6.490 -2.668 135 HB2 GLN 18 HB2 GLN 18 -3.258 7.081 -0.368 136 HB3 GLN 18 HB1 GLN 18 -4.974 6.711 -0.507 137 HG2 GLN 18 HG2 GLN 18 -4.694 4.630 0.537 138 HG3 GLN 18 HG1 GLN 18 -2.947 4.839 0.579 139 HE21 GLN 18 HE21 GLN 18 -5.974 5.996 1.921 140 HE22 GLN 18 HE22 GLN 18 -5.271 6.780 3.287 141 H LEU 19 HN LEU 19 -3.753 3.408 -1.256 142 HA LEU 19 HA LEU 19 -1.014 2.868 -1.302 143 HB2 LEU 19 HB2 LEU 19 -3.531 1.414 -1.078 144 HB3 LEU 19 HB1 LEU 19 -2.080 0.501 -1.275 145 HG LEU 19 HG LEU 19 -2.644 2.487 0.961 146 HD11 LEU 19 HD11 LEU 19 -2.895 0.535 2.381 147 HD12 LEU 19 HD12 LEU 19 -2.662 -0.497 0.964 148 HD13 LEU 19 HD13 LEU 19 -4.070 0.560 1.060 149 HD21 LEU 19 HD21 LEU 19 -0.242 2.265 0.499 150 HD22 LEU 19 HD22 LEU 19 -0.389 0.511 0.625 151 HD23 LEU 19 HD23 LEU 19 -0.669 1.518 2.040 152 H THR 20 HN THR 20 -3.645 2.089 -3.535 153 HA THR 20 HA THR 20 -2.283 0.494 -5.313 154 HB THR 20 HB THR 20 -4.609 2.352 -5.586 155 HG1 THR 20 HG1 THR 20 -4.843 0.434 -4.403 156 HG21 THR 20 HG21 THR 20 -3.545 0.545 -7.786 157 HG22 THR 20 HG22 THR 20 -3.633 2.315 -7.778 158 HG23 THR 20 HG23 THR 20 -5.121 1.364 -7.793 159 H GLU 21 HN GLU 21 -2.725 4.010 -5.395 160 HA GLU 21 HA GLU 21 -1.420 4.413 -7.853 161 HB2 GLU 21 HB2 GLU 21 -2.920 5.948 -6.786 162 HB3 GLU 21 HB1 GLU 21 -1.758 6.269 -5.497 163 HG2 GLU 21 HG2 GLU 21 -0.171 6.995 -7.345 164 HG3 GLU 21 HG1 GLU 21 -1.580 7.026 -8.403 165 H SER 22 HN SER 22 -0.414 4.361 -4.598 166 HA SER 22 HA SER 22 2.218 5.381 -4.901 167 HB2 SER 22 HB2 SER 22 1.128 3.594 -2.716 168 HB3 SER 22 HB1 SER 22 2.645 4.492 -2.629 169 HG SER 22 HG SER 22 -0.012 5.434 -2.567 170 H GLY 23 HN GLY 23 0.973 2.128 -4.723 171 HA2 GLY 23 HA2 GLY 23 3.435 0.780 -5.061 172 HA3 GLY 23 HA1 GLY 23 1.843 0.118 -5.419 173 H LYS 24 HN LYS 24 1.063 2.053 -7.332 174 HA LYS 24 HA LYS 24 2.155 0.983 -9.645 175 HB2 LYS 24 HB2 LYS 24 0.455 3.373 -9.085 176 HB3 LYS 24 HB1 LYS 24 0.853 2.845 -10.718 177 HG2 LYS 24 HG2 LYS 24 -0.324 1.029 -8.678 178 HG3 LYS 24 HG1 LYS 24 -1.361 2.038 -9.663 179 HD2 LYS 24 HD2 LYS 24 0.716 0.041 -10.721 180 HD3 LYS 24 HD1 LYS 24 -0.991 -0.324 -10.537 181 HE2 LYS 24 HE2 LYS 24 -1.621 1.185 -12.127 182 HE3 LYS 24 HE1 LYS 24 -0.081 2.020 -12.169 183 HZ1 LYS 24 HZ1 LYS 24 -0.495 -0.785 -13.170 184 HZ2 LYS 24 HZ2 LYS 24 0.906 0.134 -13.304 185 HZ3 LYS 24 HZ3 LYS 24 -0.482 0.592 -14.109 186 H LYS 25 HN LYS 25 2.902 3.969 -7.911 187 HA LYS 25 HA LYS 25 4.537 4.992 -9.966 188 HB2 LYS 25 HB2 LYS 25 4.080 5.741 -7.080 189 HB3 LYS 25 HB1 LYS 25 5.113 6.672 -8.160 190 HG2 LYS 25 HG2 LYS 25 3.386 7.461 -9.405 191 HG3 LYS 25 HG1 LYS 25 2.387 6.044 -9.127 192 HD2 LYS 25 HD2 LYS 25 1.393 7.961 -8.084 193 HD3 LYS 25 HD1 LYS 25 1.949 6.862 -6.828 194 HE2 LYS 25 HE2 LYS 25 3.877 8.311 -6.472 195 HE3 LYS 25 HE1 LYS 25 3.331 9.374 -7.767 196 HZ1 LYS 25 HZ1 LYS 25 2.565 10.337 -5.758 197 HZ2 LYS 25 HZ2 LYS 25 2.042 8.881 -5.144 198 HZ3 LYS 25 HZ3 LYS 25 1.178 9.587 -6.392 199 H ARG 26 HN ARG 26 5.045 3.091 -7.170 200 HA ARG 26 HA ARG 26 7.948 3.227 -7.357 201 HB2 ARG 26 HB2 ARG 26 6.286 1.397 -5.678 202 HB3 ARG 26 HB1 ARG 26 7.995 1.712 -5.502 203 HG2 ARG 26 HG2 ARG 26 7.492 4.011 -4.840 204 HG3 ARG 26 HG1 ARG 26 5.766 3.667 -5.034 205 HD2 ARG 26 HD2 ARG 26 6.002 1.779 -3.504 206 HD3 ARG 26 HD1 ARG 26 7.665 2.264 -3.182 207 HE ARG 26 HE ARG 26 6.196 4.444 -2.598 208 HH11 ARG 26 HH11 ARG 26 6.147 1.038 -1.667 209 HH12 ARG 26 HH12 ARG 26 5.412 1.287 -0.146 210 HH21 ARG 26 HH21 ARG 26 5.120 4.799 -0.467 211 HH22 ARG 26 HH22 ARG 26 4.804 3.407 0.492 212 H GLY 27 HN GLY 27 5.495 0.704 -7.620 213 HA2 GLY 27 HA2 GLY 27 5.508 -1.001 -9.208 214 HA3 GLY 27 HA1 GLY 27 7.278 -1.039 -9.170 215 H VAL 28 HN VAL 28 6.175 -0.485 -6.112 216 HA VAL 28 HA VAL 28 5.642 -3.208 -5.347 217 HB VAL 28 HB VAL 28 8.055 -3.114 -5.817 218 HG11 VAL 28 HG11 VAL 28 8.192 -1.272 -3.463 219 HG12 VAL 28 HG12 VAL 28 8.550 -0.864 -5.140 220 HG13 VAL 28 HG13 VAL 28 9.590 -2.005 -4.265 221 HG21 VAL 28 HG21 VAL 28 8.758 -4.202 -3.756 222 HG22 VAL 28 HG22 VAL 28 7.184 -4.726 -4.419 223 HG23 VAL 28 HG23 VAL 28 7.237 -3.632 -3.030 224 H LEU 29 HN LEU 29 4.989 -3.392 -3.289 225 HA LEU 29 HA LEU 29 4.995 -1.032 -1.607 226 HB2 LEU 29 HB2 LEU 29 2.659 -2.769 -2.317 227 HB3 LEU 29 HB1 LEU 29 2.682 -1.874 -0.825 228 HG LEU 29 HG LEU 29 2.829 -0.619 -3.572 229 HD11 LEU 29 HD11 LEU 29 0.711 -1.817 -3.189 230 HD12 LEU 29 HD12 LEU 29 0.481 -0.072 -3.227 231 HD13 LEU 29 HD13 LEU 29 0.493 -0.928 -1.683 232 HD21 LEU 29 HD21 LEU 29 2.218 0.553 -0.866 233 HD22 LEU 29 HD22 LEU 29 2.250 1.419 -2.392 234 HD23 LEU 29 HD23 LEU 29 3.749 0.748 -1.725 235 H THR 30 HN THR 30 5.256 -1.609 0.593 236 HA THR 30 HA THR 30 5.870 -4.335 1.173 237 HB THR 30 HB THR 30 6.057 -3.520 3.579 238 HG1 THR 30 HG1 THR 30 5.529 -0.995 2.370 239 HG21 THR 30 HG21 THR 30 8.117 -2.194 3.192 240 HG22 THR 30 HG22 THR 30 7.739 -2.214 1.455 241 HG23 THR 30 HG23 THR 30 8.009 -3.728 2.343 242 H TYR 31 HN TYR 31 4.601 -5.777 2.290 243 HA TYR 31 HA TYR 31 1.808 -5.675 2.117 244 HB2 TYR 31 HB2 TYR 31 3.507 -7.301 4.006 245 HB3 TYR 31 HB1 TYR 31 1.764 -7.472 3.899 246 HD1 TYR 31 HD1 TYR 31 4.896 -8.575 2.688 247 HD2 TYR 31 HD2 TYR 31 0.832 -8.125 1.563 248 HE1 TYR 31 HE1 TYR 31 5.207 -10.276 0.966 249 HE2 TYR 31 HE2 TYR 31 1.117 -9.839 -0.175 250 HH TYR 31 HH TYR 31 2.934 -10.849 -1.495 251 H GLU 32 HN GLU 32 3.894 -4.632 4.713 252 HA GLU 32 HA GLU 32 1.698 -4.446 6.507 253 HB2 GLU 32 HB2 GLU 32 4.087 -5.047 7.125 254 HB3 GLU 32 HB1 GLU 32 4.414 -3.321 7.042 255 HG2 GLU 32 HG2 GLU 32 2.835 -2.864 8.771 256 HG3 GLU 32 HG1 GLU 32 2.264 -4.530 8.754 257 H GLU 33 HN GLU 33 3.256 -2.150 4.334 258 HA GLU 33 HA GLU 33 2.124 0.088 5.741 259 HB2 GLU 33 HB2 GLU 33 2.841 1.482 3.908 260 HB3 GLU 33 HB1 GLU 33 4.119 0.310 4.180 261 HG2 GLU 33 HG2 GLU 33 3.199 -1.014 2.284 262 HG3 GLU 33 HG1 GLU 33 2.074 0.312 1.994 263 H ILE 34 HN ILE 34 1.190 -2.174 3.386 264 HA ILE 34 HA ILE 34 -1.140 -0.920 2.480 265 HB ILE 34 HB ILE 34 -0.409 -3.853 2.579 266 HG12 ILE 34 HG12 ILE 34 -0.285 -1.851 0.318 267 HG13 ILE 34 HG11 ILE 34 1.096 -2.397 1.263 268 HG21 ILE 34 HG21 ILE 34 -2.789 -3.661 2.405 269 HG22 ILE 34 HG22 ILE 34 -2.178 -4.042 0.776 270 HG23 ILE 34 HG23 ILE 34 -2.641 -2.401 1.194 271 HD11 ILE 34 HD11 ILE 34 0.985 -3.504 -0.867 272 HD12 ILE 34 HD12 ILE 34 -0.636 -4.095 -0.509 273 HD13 ILE 34 HD13 ILE 34 0.741 -4.668 0.434 274 H ALA 35 HN ALA 35 -0.426 -3.133 5.193 275 HA ALA 35 HA ALA 35 -3.081 -3.497 5.980 276 HB1 ALA 35 HB1 ALA 35 -0.486 -3.871 7.476 277 HB2 ALA 35 HB2 ALA 35 -1.351 -5.106 6.553 278 HB3 ALA 35 HB3 ALA 35 -2.062 -4.440 8.022 279 H GLU 36 HN GLU 36 -0.560 -1.168 6.526 280 HA GLU 36 HA GLU 36 -1.149 -0.105 8.984 281 HB2 GLU 36 HB2 GLU 36 0.935 0.189 7.861 282 HB3 GLU 36 HB1 GLU 36 0.150 0.976 6.507 283 HG2 GLU 36 HG2 GLU 36 -0.492 2.811 8.066 284 HG3 GLU 36 HG1 GLU 36 0.533 2.041 9.285 285 H ARG 37 HN ARG 37 -2.061 1.065 5.678 286 HA ARG 37 HA ARG 37 -3.495 3.248 6.728 287 HB2 ARG 37 HB2 ARG 37 -3.665 1.996 3.987 288 HB3 ARG 37 HB1 ARG 37 -4.125 3.625 4.439 289 HG2 ARG 37 HG2 ARG 37 -1.342 2.528 4.552 290 HG3 ARG 37 HG1 ARG 37 -1.980 3.478 3.223 291 HD2 ARG 37 HD2 ARG 37 -2.224 5.404 4.600 292 HD3 ARG 37 HD1 ARG 37 -1.909 4.481 6.067 293 HE ARG 37 HE ARG 37 0.358 4.241 5.416 294 HH11 ARG 37 HH11 ARG 37 -1.409 6.602 3.407 295 HH12 ARG 37 HH12 ARG 37 -0.007 7.438 2.937 296 HH21 ARG 37 HH21 ARG 37 2.262 5.389 4.703 297 HH22 ARG 37 HH22 ARG 37 2.118 6.749 3.697 298 H MET 38 HN MET 38 -4.230 -0.065 6.210 299 HA MET 38 HA MET 38 -7.077 0.363 6.003 300 HB2 MET 38 HB2 MET 38 -5.572 -2.249 6.271 301 HB3 MET 38 HB1 MET 38 -7.274 -2.069 5.930 302 HG2 MET 38 HG2 MET 38 -5.038 -1.137 4.169 303 HG3 MET 38 HG1 MET 38 -5.991 -2.604 3.940 304 HE1 MET 38 HE1 MET 38 -5.547 -0.556 1.685 305 HE2 MET 38 HE2 MET 38 -7.156 -0.302 1.019 306 HE3 MET 38 HE3 MET 38 -6.625 -1.931 1.445 307 H SER 39 HN SER 39 -5.057 0.606 8.523 308 HA SER 39 HA SER 39 -6.192 -1.057 10.500 309 HB2 SER 39 HB2 SER 39 -5.037 0.469 12.109 310 HB3 SER 39 HB1 SER 39 -3.990 -0.126 10.814 311 HG SER 39 HG SER 39 -3.853 1.797 9.986 312 H SER 40 HN SER 40 -7.309 1.837 9.087 313 HA SER 40 HA SER 40 -8.998 2.721 11.189 314 HB2 SER 40 HB2 SER 40 -9.216 3.191 8.212 315 HB3 SER 40 HB1 SER 40 -9.909 4.191 9.488 316 HG SER 40 HG SER 40 -7.840 4.743 10.148 317 H PHE 41 HN PHE 41 -9.132 0.204 8.848 318 HA PHE 41 HA PHE 41 -12.020 -0.211 9.246 319 HB2 PHE 41 HB2 PHE 41 -10.265 -1.427 7.134 320 HB3 PHE 41 HB1 PHE 41 -12.014 -1.298 7.074 321 HD1 PHE 41 HD1 PHE 41 -9.046 -0.102 5.874 322 HD2 PHE 41 HD2 PHE 41 -12.828 1.263 7.216 323 HE1 PHE 41 HE1 PHE 41 -8.690 1.994 4.688 324 HE2 PHE 41 HE2 PHE 41 -12.497 3.373 6.002 325 HZ PHE 41 HZ PHE 41 -10.408 3.736 4.747 326 H GLU 42 HN GLU 42 -12.332 -2.754 8.840 327 HA GLU 42 HA GLU 42 -10.331 -4.170 10.446 328 HB2 GLU 42 HB2 GLU 42 -13.322 -4.690 10.322 329 HB3 GLU 42 HB1 GLU 42 -12.158 -5.572 11.305 330 HG2 GLU 42 HG2 GLU 42 -11.696 -3.573 12.600 331 HG3 GLU 42 HG1 GLU 42 -12.794 -2.644 11.585 332 H ILE 43 HN ILE 43 -9.347 -4.448 8.367 333 HA ILE 43 HA ILE 43 -10.801 -6.057 6.415 334 HB ILE 43 HB ILE 43 -8.014 -4.918 6.181 335 HG12 ILE 43 HG12 ILE 43 -9.604 -3.123 6.498 336 HG13 ILE 43 HG11 ILE 43 -8.995 -3.120 4.846 337 HG21 ILE 43 HG21 ILE 43 -9.881 -5.936 4.079 338 HG22 ILE 43 HG22 ILE 43 -8.438 -6.752 4.675 339 HG23 ILE 43 HG23 ILE 43 -8.292 -5.227 3.792 340 HD11 ILE 43 HD11 ILE 43 -11.667 -4.156 5.770 341 HD12 ILE 43 HD12 ILE 43 -11.025 -4.247 4.120 342 HD13 ILE 43 HD13 ILE 43 -11.356 -2.672 4.847 343 H GLU 44 HN GLU 44 -10.646 -8.051 6.455 344 HA GLU 44 HA GLU 44 -8.812 -9.642 8.066 345 HB2 GLU 44 HB2 GLU 44 -10.655 -10.616 5.852 346 HB3 GLU 44 HB1 GLU 44 -9.932 -11.540 7.133 347 HG2 GLU 44 HG2 GLU 44 -11.280 -10.491 8.802 348 HG3 GLU 44 HG1 GLU 44 -11.946 -9.373 7.609 349 H SER 45 HN SER 45 -7.303 -11.144 7.301 350 HA SER 45 HA SER 45 -5.594 -10.210 5.353 351 HB2 SER 45 HB2 SER 45 -5.915 -12.906 6.609 352 HB3 SER 45 HB1 SER 45 -4.509 -12.462 5.617 353 HG SER 45 HG SER 45 -4.023 -12.121 7.751 354 H ASP 46 HN ASP 46 -8.359 -12.336 5.131 355 HA ASP 46 HA ASP 46 -7.860 -13.435 2.563 356 HB2 ASP 46 HB2 ASP 46 -9.762 -13.982 4.303 357 HB3 ASP 46 HB1 ASP 46 -10.540 -12.660 3.452 358 H GLN 47 HN GLN 47 -9.591 -10.572 3.638 359 HA GLN 47 HA GLN 47 -10.386 -9.637 1.093 360 HB2 GLN 47 HB2 GLN 47 -9.777 -7.934 3.479 361 HB3 GLN 47 HB1 GLN 47 -10.843 -7.540 2.145 362 HG2 GLN 47 HG2 GLN 47 -12.367 -9.304 2.897 363 HG3 GLN 47 HG1 GLN 47 -11.287 -9.639 4.244 364 HE21 GLN 47 HE21 GLN 47 -12.020 -6.452 2.957 365 HE22 GLN 47 HE22 GLN 47 -12.815 -5.892 4.375 366 H MET 48 HN MET 48 -7.622 -9.047 3.185 367 HA MET 48 HA MET 48 -6.362 -7.069 1.703 368 HB2 MET 48 HB2 MET 48 -5.280 -9.115 3.615 369 HB3 MET 48 HB1 MET 48 -4.180 -8.078 2.743 370 HG2 MET 48 HG2 MET 48 -6.402 -6.938 4.405 371 HG3 MET 48 HG1 MET 48 -4.881 -7.450 5.125 372 HE1 MET 48 HE1 MET 48 -5.283 -3.861 2.189 373 HE2 MET 48 HE2 MET 48 -6.616 -4.958 2.596 374 HE3 MET 48 HE3 MET 48 -5.300 -5.488 1.549 375 H ASP 49 HN ASP 49 -6.204 -10.566 1.534 376 HA ASP 49 HA ASP 49 -4.119 -10.845 -0.344 377 HB2 ASP 49 HB2 ASP 49 -5.210 -12.621 1.144 378 HB3 ASP 49 HB1 ASP 49 -6.480 -12.687 -0.052 379 H GLU 50 HN GLU 50 -7.594 -10.393 -0.713 380 HA GLU 50 HA GLU 50 -7.741 -10.731 -3.454 381 HB2 GLU 50 HB2 GLU 50 -9.275 -8.721 -1.819 382 HB3 GLU 50 HB1 GLU 50 -9.700 -9.220 -3.443 383 HG2 GLU 50 HG2 GLU 50 -10.107 -11.497 -2.556 384 HG3 GLU 50 HG1 GLU 50 -9.825 -10.853 -0.928 385 H TYR 51 HN TYR 51 -6.994 -7.977 -1.455 386 HA TYR 51 HA TYR 51 -6.818 -6.077 -3.539 387 HB2 TYR 51 HB2 TYR 51 -7.276 -5.439 -1.207 388 HB3 TYR 51 HB1 TYR 51 -5.670 -5.977 -0.748 389 HD1 TYR 51 HD1 TYR 51 -6.836 -3.890 -3.656 390 HD2 TYR 51 HD2 TYR 51 -4.457 -4.126 -0.122 391 HE1 TYR 51 HE1 TYR 51 -5.953 -1.668 -4.093 392 HE2 TYR 51 HE2 TYR 51 -3.559 -1.884 -0.602 393 HH TYR 51 HH TYR 51 -3.251 -0.482 -2.516 394 H TYR 52 HN TYR 52 -4.509 -8.227 -1.959 395 HA TYR 52 HA TYR 52 -2.219 -7.085 -3.086 396 HB2 TYR 52 HB2 TYR 52 -2.650 -9.948 -2.183 397 HB3 TYR 52 HB1 TYR 52 -1.091 -9.255 -2.598 398 HD1 TYR 52 HD1 TYR 52 -1.492 -6.532 -1.287 399 HD2 TYR 52 HD2 TYR 52 -2.267 -10.481 0.104 400 HE1 TYR 52 HE1 TYR 52 -1.235 -5.774 1.003 401 HE2 TYR 52 HE2 TYR 52 -2.027 -9.707 2.421 402 HH TYR 52 HH TYR 52 -1.987 -6.441 3.273 403 H GLU 53 HN GLU 53 -4.375 -9.660 -4.186 404 HA GLU 53 HA GLU 53 -3.118 -10.278 -6.574 405 HB2 GLU 53 HB2 GLU 53 -4.974 -11.549 -5.516 406 HB3 GLU 53 HB1 GLU 53 -6.075 -10.255 -5.942 407 HG2 GLU 53 HG2 GLU 53 -6.305 -12.072 -7.496 408 HG3 GLU 53 HG1 GLU 53 -5.616 -10.671 -8.315 409 H PHE 54 HN PHE 54 -5.598 -7.897 -5.806 410 HA PHE 54 HA PHE 54 -6.066 -6.838 -8.329 411 HB2 PHE 54 HB2 PHE 54 -7.574 -6.244 -6.607 412 HB3 PHE 54 HB1 PHE 54 -6.277 -5.688 -5.554 413 HD1 PHE 54 HD1 PHE 54 -8.215 -4.869 -8.588 414 HD2 PHE 54 HD2 PHE 54 -5.507 -3.527 -5.626 415 HE1 PHE 54 HE1 PHE 54 -8.503 -2.540 -9.371 416 HE2 PHE 54 HE2 PHE 54 -5.773 -1.215 -6.394 417 HZ PHE 54 HZ PHE 54 -7.238 -0.715 -8.243 418 H LEU 55 HN LEU 55 -3.822 -5.737 -5.836 419 HA LEU 55 HA LEU 55 -2.641 -3.671 -7.244 420 HB2 LEU 55 HB2 LEU 55 -1.542 -5.446 -5.085 421 HB3 LEU 55 HB1 LEU 55 -0.668 -4.066 -5.709 422 HG LEU 55 HG LEU 55 -3.377 -3.905 -4.411 423 HD11 LEU 55 HD11 LEU 55 -2.151 -2.939 -2.524 424 HD12 LEU 55 HD12 LEU 55 -0.630 -3.348 -3.328 425 HD13 LEU 55 HD13 LEU 55 -1.721 -4.624 -2.809 426 HD21 LEU 55 HD21 LEU 55 -2.892 -1.498 -4.339 427 HD22 LEU 55 HD22 LEU 55 -2.949 -2.090 -5.992 428 HD23 LEU 55 HD23 LEU 55 -1.393 -1.773 -5.222 429 H GLY 56 HN GLY 56 -1.765 -7.075 -7.075 430 HA2 GLY 56 HA2 GLY 56 0.541 -7.027 -8.663 431 HA3 GLY 56 HA1 GLY 56 -0.538 -8.407 -8.454 432 H GLU 57 HN GLU 57 -2.872 -7.403 -9.545 433 HA GLU 57 HA GLU 57 -2.525 -7.776 -12.241 434 HB2 GLU 57 HB2 GLU 57 -4.773 -6.692 -10.607 435 HB3 GLU 57 HB1 GLU 57 -4.891 -6.901 -12.349 436 HG2 GLU 57 HG2 GLU 57 -4.289 -9.082 -10.369 437 HG3 GLU 57 HG1 GLU 57 -5.859 -8.777 -11.114 438 H GLN 58 HN GLN 58 -2.730 -4.820 -10.367 439 HA GLN 58 HA GLN 58 -2.779 -3.127 -12.686 440 HB2 GLN 58 HB2 GLN 58 -2.077 -2.355 -9.836 441 HB3 GLN 58 HB1 GLN 58 -2.558 -1.280 -11.138 442 HG2 GLN 58 HG2 GLN 58 -4.285 -3.344 -9.840 443 HG3 GLN 58 HG1 GLN 58 -4.373 -1.601 -9.605 444 HE21 GLN 58 HE21 GLN 58 -6.352 -3.485 -10.559 445 HE22 GLN 58 HE22 GLN 58 -6.868 -2.894 -12.093 446 H GLY 59 HN GLY 59 -0.308 -4.182 -10.414 447 HA2 GLY 59 HA2 GLY 59 1.801 -4.738 -11.795 448 HA3 GLY 59 HA1 GLY 59 1.719 -3.045 -12.249 449 H VAL 60 HN VAL 60 1.163 -4.595 -9.093 450 HA VAL 60 HA VAL 60 3.486 -3.122 -8.019 451 HB VAL 60 HB VAL 60 0.966 -3.709 -6.492 452 HG11 VAL 60 HG11 VAL 60 1.826 -2.083 -4.922 453 HG12 VAL 60 HG12 VAL 60 3.248 -1.860 -5.936 454 HG13 VAL 60 HG13 VAL 60 2.943 -3.426 -5.177 455 HG21 VAL 60 HG21 VAL 60 1.686 -1.121 -7.859 456 HG22 VAL 60 HG22 VAL 60 0.346 -1.326 -6.723 457 HG23 VAL 60 HG23 VAL 60 0.325 -2.162 -8.279 458 H GLU 61 HN GLU 61 4.859 -4.503 -7.202 459 HA GLU 61 HA GLU 61 3.952 -7.165 -6.494 460 HB2 GLU 61 HB2 GLU 61 6.664 -5.890 -6.630 461 HB3 GLU 61 HB1 GLU 61 6.388 -7.550 -6.151 462 HG2 GLU 61 HG2 GLU 61 5.297 -7.926 -8.357 463 HG3 GLU 61 HG1 GLU 61 5.768 -6.288 -8.805 464 H LEU 62 HN LEU 62 3.976 -7.900 -4.358 465 HA LEU 62 HA LEU 62 4.310 -5.735 -2.469 466 HB2 LEU 62 HB2 LEU 62 2.950 -8.377 -2.015 467 HB3 LEU 62 HB1 LEU 62 2.921 -6.979 -0.970 468 HG LEU 62 HG LEU 62 0.868 -6.872 -1.894 469 HD11 LEU 62 HD11 LEU 62 0.660 -5.129 -3.510 470 HD12 LEU 62 HD12 LEU 62 2.400 -5.217 -3.797 471 HD13 LEU 62 HD13 LEU 62 1.787 -4.761 -2.202 472 HD21 LEU 62 HD21 LEU 62 1.031 -8.746 -3.380 473 HD22 LEU 62 HD22 LEU 62 1.872 -7.763 -4.591 474 HD23 LEU 62 HD23 LEU 62 0.193 -7.405 -4.136 475 H ILE 63 HN ILE 63 6.004 -5.671 -1.296 476 HA ILE 63 HA ILE 63 7.561 -8.104 -0.757 477 HB ILE 63 HB ILE 63 9.361 -6.576 0.004 478 HG12 ILE 63 HG12 ILE 63 7.553 -4.392 -1.048 479 HG13 ILE 63 HG11 ILE 63 7.964 -4.676 0.635 480 HG21 ILE 63 HG21 ILE 63 9.998 -5.799 -2.180 481 HG22 ILE 63 HG22 ILE 63 8.333 -5.993 -2.718 482 HG23 ILE 63 HG23 ILE 63 9.297 -7.435 -2.269 483 HD11 ILE 63 HD11 ILE 63 9.227 -2.810 -0.336 484 HD12 ILE 63 HD12 ILE 63 9.928 -3.920 -1.521 485 HD13 ILE 63 HD13 ILE 63 10.277 -4.122 0.195 486 H SER 64 HN SER 64 8.666 -8.008 1.478 487 HA SER 64 HA SER 64 6.614 -8.035 3.443 488 HB2 SER 64 HB2 SER 64 8.507 -9.572 3.433 489 HB3 SER 64 HB1 SER 64 9.595 -8.239 3.716 490 HG SER 64 HG SER 64 8.691 -9.608 5.579 491 H GLU 65 HN GLU 65 9.578 -6.493 4.057 492 HA GLU 65 HA GLU 65 9.011 -3.808 4.102 493 HB2 GLU 65 HB2 GLU 65 7.272 -4.367 5.796 494 HB3 GLU 65 HB1 GLU 65 8.529 -5.032 6.838 495 HG2 GLU 65 HG2 GLU 65 9.598 -2.789 6.856 496 HG3 GLU 65 HG1 GLU 65 8.207 -2.177 5.965 497 H ASN 66 HN ASN 66 10.492 -6.523 5.728 498 HA ASN 66 HA ASN 66 12.860 -5.011 6.420 499 HB2 ASN 66 HB2 ASN 66 12.040 -7.001 7.743 500 HB3 ASN 66 HB1 ASN 66 12.533 -8.031 6.408 501 HD21 ASN 66 HD21 ASN 66 14.375 -5.196 7.542 502 HD22 ASN 66 HD22 ASN 66 15.698 -6.101 8.123 503 H GLU 67 HN GLU 67 11.848 -5.432 3.632 504 HA GLU 67 HA GLU 67 14.448 -5.774 2.427 505 HB2 GLU 67 HB2 GLU 67 13.481 -7.041 0.578 506 HB3 GLU 67 HB1 GLU 67 13.231 -7.918 2.090 507 HG2 GLU 67 HG2 GLU 67 10.928 -7.079 2.148 508 HG3 GLU 67 HG1 GLU 67 11.260 -6.187 0.665 509 H GLU 68 HN GLU 68 14.546 -4.532 0.559 510 HA GLU 68 HA GLU 68 12.321 -2.912 -0.267 511 HB2 GLU 68 HB2 GLU 68 14.880 -1.643 0.792 512 HB3 GLU 68 HB1 GLU 68 13.638 -0.801 -0.107 513 HG2 GLU 68 HG2 GLU 68 12.055 -1.247 1.734 514 HG3 GLU 68 HG1 GLU 68 13.363 -2.004 2.638 515 H THR 69 HN THR 69 12.968 -1.743 -2.317 516 HA THR 69 HA THR 69 14.798 -3.367 -3.796 517 HB THR 69 HB THR 69 13.939 -1.755 -5.632 518 HG1 THR 69 HG1 THR 69 12.137 -0.563 -5.052 519 HG21 THR 69 HG21 THR 69 12.002 -3.510 -4.113 520 HG22 THR 69 HG22 THR 69 13.111 -4.045 -5.378 521 HG23 THR 69 HG23 THR 69 11.784 -2.951 -5.771 522 H GLU 70 HN GLU 70 15.109 -0.965 -1.755 523 HA GLU 70 HA GLU 70 16.697 0.964 -3.140 524 HB2 GLU 70 HB2 GLU 70 16.405 0.577 -0.179 525 HB3 GLU 70 HB1 GLU 70 16.846 2.052 -1.034 526 HG2 GLU 70 HG2 GLU 70 14.307 0.627 -1.412 527 HG3 GLU 70 HG1 GLU 70 14.496 1.895 -0.185 528 H ASP 71 HN ASP 71 17.285 -2.042 -2.191 529 HA ASP 71 HA ASP 71 19.731 -1.766 -0.909 530 HB2 ASP 71 HB2 ASP 71 18.330 -3.718 -0.664 531 HB3 ASP 71 HB1 ASP 71 18.534 -4.135 -2.346 532 H LEU 72 HN LEU 72 18.717 -1.421 -3.924 533 HA LEU 72 HA LEU 72 21.139 -2.157 -5.386 534 HB2 LEU 72 HB2 LEU 72 18.554 -1.004 -6.409 535 HB3 LEU 72 HB1 LEU 72 19.836 -1.722 -7.364 536 HG LEU 72 HG LEU 72 18.097 -3.204 -5.394 537 HD11 LEU 72 HD11 LEU 72 17.081 -4.220 -7.362 538 HD12 LEU 72 HD12 LEU 72 18.050 -3.167 -8.400 539 HD13 LEU 72 HD13 LEU 72 16.836 -2.475 -7.321 540 HD21 LEU 72 HD21 LEU 72 20.307 -4.215 -5.602 541 HD22 LEU 72 HD22 LEU 72 20.159 -4.206 -7.359 542 HD23 LEU 72 HD23 LEU 72 19.094 -5.220 -6.395 543 H GLU 73 HN GLU 73 20.447 0.328 -3.480 544 HA GLU 73 HA GLU 73 20.732 2.501 -3.309 545 HB2 GLU 73 HB2 GLU 73 22.931 1.664 -5.105 546 HB3 GLU 73 HB1 GLU 73 22.863 3.309 -4.448 547 HG2 GLU 73 HG2 GLU 73 22.889 0.765 -2.835 548 HG3 GLU 73 HG1 GLU 73 24.306 1.770 -3.149 549 H HIS 74 HN HIS 74 18.981 3.518 -4.045 550 HA HIS 74 HA HIS 74 18.830 3.968 -6.907 551 HB2 HIS 74 HB2 HIS 74 16.698 4.024 -4.815 552 HB3 HIS 74 HB1 HIS 74 16.457 4.774 -6.391 553 HD1 HIS 74 HD1 HIS 74 15.292 1.934 -4.940 554 HD2 HIS 74 HD2 HIS 74 17.670 2.522 -8.312 555 HE1 HIS 74 HE1 HIS 74 14.921 -0.067 -6.444 556 H HIS 75 HN HIS 75 17.811 5.967 -4.168 557 HA HIS 75 HA HIS 75 18.248 8.246 -5.898 558 HB2 HIS 75 HB2 HIS 75 16.927 8.034 -3.192 559 HB3 HIS 75 HB1 HIS 75 17.205 9.573 -3.990 560 HD1 HIS 75 HD1 HIS 75 15.184 10.371 -5.283 561 HD2 HIS 75 HD2 HIS 75 15.335 6.225 -4.996 562 HE1 HIS 75 HE1 HIS 75 13.086 9.511 -6.370 563 H HIS 76 HN HIS 76 18.904 8.022 -2.415 564 HA HIS 76 HA HIS 76 21.645 8.494 -2.746 565 HB2 HIS 76 HB2 HIS 76 21.650 10.734 -1.552 566 HB3 HIS 76 HB1 HIS 76 21.036 10.795 -3.193 567 HD1 HIS 76 HD1 HIS 76 18.483 11.381 -3.465 568 HD2 HIS 76 HD2 HIS 76 19.865 11.417 0.459 569 HE1 HIS 76 HE1 HIS 76 16.705 12.515 -2.112 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -11.869 2.612 -6.450 2 H2 ALA 1 HT2 ALA 1 -13.186 2.707 -5.427 3 H3 ALA 1 HT3 ALA 1 -12.198 4.084 -5.696 4 HA ALA 1 HA ALA 1 -12.855 4.129 -8.005 5 HB1 ALA 1 HB1 ALA 1 -14.696 2.686 -8.743 6 HB2 ALA 1 HB2 ALA 1 -14.685 1.879 -7.173 7 HB3 ALA 1 HB3 ALA 1 -13.294 1.739 -8.246 8 H ASP 2 HN ASP 2 -13.425 5.361 -5.333 9 HA ASP 2 HA ASP 2 -16.155 6.302 -5.825 10 HB2 ASP 2 HB2 ASP 2 -16.740 6.009 -3.494 11 HB3 ASP 2 HB1 ASP 2 -16.130 4.471 -4.086 12 H LYS 3 HN LYS 3 -16.221 7.921 -3.515 13 HA LYS 3 HA LYS 3 -13.890 9.695 -3.699 14 HB2 LYS 3 HB2 LYS 3 -15.707 10.688 -4.992 15 HB3 LYS 3 HB1 LYS 3 -16.820 10.428 -3.669 16 HG2 LYS 3 HG2 LYS 3 -16.245 12.757 -3.736 17 HG3 LYS 3 HG1 LYS 3 -15.525 12.035 -2.300 18 HD2 LYS 3 HD2 LYS 3 -13.361 11.935 -3.426 19 HD3 LYS 3 HD1 LYS 3 -14.086 12.604 -4.890 20 HE2 LYS 3 HE2 LYS 3 -12.953 14.367 -3.705 21 HE3 LYS 3 HE1 LYS 3 -14.684 14.647 -3.625 22 HZ1 LYS 3 HZ1 LYS 3 -12.979 13.541 -1.438 23 HZ2 LYS 3 HZ2 LYS 3 -14.645 13.676 -1.341 24 HZ3 LYS 3 HZ3 LYS 3 -13.714 15.046 -1.460 25 H GLN 4 HN GLN 4 -13.111 10.096 -1.690 26 HA GLN 4 HA GLN 4 -14.372 9.108 0.606 27 HB2 GLN 4 HB2 GLN 4 -12.665 10.416 1.905 28 HB3 GLN 4 HB1 GLN 4 -11.939 9.476 0.618 29 HG2 GLN 4 HG2 GLN 4 -11.732 11.422 -0.742 30 HG3 GLN 4 HG1 GLN 4 -12.514 12.406 0.494 31 HE21 GLN 4 HE21 GLN 4 -9.871 12.588 -0.676 32 HE22 GLN 4 HE22 GLN 4 -8.747 12.502 0.638 33 H THR 5 HN THR 5 -16.178 9.848 1.460 34 HA THR 5 HA THR 5 -17.063 12.529 0.864 35 HB THR 5 HB THR 5 -18.575 10.496 0.665 36 HG1 THR 5 HG1 THR 5 -20.351 11.522 1.484 37 HG21 THR 5 HG21 THR 5 -18.457 10.651 3.647 38 HG22 THR 5 HG22 THR 5 -17.790 9.364 2.647 39 HG23 THR 5 HG23 THR 5 -19.550 9.600 2.732 40 H HIS 6 HN HIS 6 -15.235 11.058 3.174 41 HA HIS 6 HA HIS 6 -16.086 12.867 5.300 42 HB2 HIS 6 HB2 HIS 6 -14.147 10.526 5.473 43 HB3 HIS 6 HB1 HIS 6 -14.773 11.462 6.819 44 HD1 HIS 6 HD1 HIS 6 -15.147 8.188 5.899 45 HD2 HIS 6 HD2 HIS 6 -17.958 11.252 6.225 46 HE1 HIS 6 HE1 HIS 6 -17.369 7.076 6.144 47 H GLU 7 HN GLU 7 -14.439 14.143 6.293 48 HA GLU 7 HA GLU 7 -12.463 14.952 4.316 49 HB2 GLU 7 HB2 GLU 7 -13.410 16.335 6.825 50 HB3 GLU 7 HB1 GLU 7 -12.261 16.999 5.665 51 HG2 GLU 7 HG2 GLU 7 -13.982 16.934 3.926 52 HG3 GLU 7 HG1 GLU 7 -15.118 16.267 5.093 53 H THR 8 HN THR 8 -10.471 14.274 4.447 54 HA THR 8 HA THR 8 -8.493 13.561 5.168 55 HB THR 8 HB THR 8 -9.262 14.463 7.977 56 HG1 THR 8 HG1 THR 8 -9.051 15.849 5.676 57 HG21 THR 8 HG21 THR 8 -7.130 13.217 7.713 58 HG22 THR 8 HG22 THR 8 -6.857 14.897 8.178 59 HG23 THR 8 HG23 THR 8 -6.625 14.390 6.497 60 H GLU 9 HN GLU 9 -11.053 12.060 5.369 61 HA GLU 9 HA GLU 9 -10.004 9.700 6.636 62 HB2 GLU 9 HB2 GLU 9 -12.590 11.053 7.269 63 HB3 GLU 9 HB1 GLU 9 -12.491 9.294 7.337 64 HG2 GLU 9 HG2 GLU 9 -10.745 11.197 8.880 65 HG3 GLU 9 HG1 GLU 9 -12.174 10.388 9.527 66 H LEU 10 HN LEU 10 -10.052 8.199 5.224 67 HA LEU 10 HA LEU 10 -11.725 8.680 2.885 68 HB2 LEU 10 HB2 LEU 10 -9.480 6.725 2.831 69 HB3 LEU 10 HB1 LEU 10 -10.185 7.679 1.560 70 HG LEU 10 HG LEU 10 -9.102 9.678 2.880 71 HD11 LEU 10 HD11 LEU 10 -8.364 8.342 4.724 72 HD12 LEU 10 HD12 LEU 10 -6.968 9.041 3.885 73 HD13 LEU 10 HD13 LEU 10 -7.407 7.337 3.650 74 HD21 LEU 10 HD21 LEU 10 -7.552 7.777 1.120 75 HD22 LEU 10 HD22 LEU 10 -7.159 9.473 1.411 76 HD23 LEU 10 HD23 LEU 10 -8.660 9.040 0.573 77 H THR 11 HN THR 11 -12.131 6.513 1.721 78 HA THR 11 HA THR 11 -13.317 4.769 3.690 79 HB THR 11 HB THR 11 -14.745 4.030 1.850 80 HG1 THR 11 HG1 THR 11 -14.266 5.247 -0.293 81 HG21 THR 11 HG21 THR 11 -15.417 6.166 2.908 82 HG22 THR 11 HG22 THR 11 -15.828 6.138 1.187 83 HG23 THR 11 HG23 THR 11 -14.422 7.036 1.737 84 H PHE 12 HN PHE 12 -13.450 2.468 2.636 85 HA PHE 12 HA PHE 12 -10.785 1.536 2.653 86 HB2 PHE 12 HB2 PHE 12 -12.503 0.116 3.562 87 HB3 PHE 12 HB1 PHE 12 -13.392 0.123 2.045 88 HD1 PHE 12 HD1 PHE 12 -9.901 -0.617 3.111 89 HD2 PHE 12 HD2 PHE 12 -13.319 -1.871 0.925 90 HE1 PHE 12 HE1 PHE 12 -8.711 -2.630 2.414 91 HE2 PHE 12 HE2 PHE 12 -12.124 -3.893 0.221 92 HZ PHE 12 HZ PHE 12 -9.807 -4.265 0.952 93 H ASP 13 HN ASP 13 -13.172 1.978 0.250 94 HA ASP 13 HA ASP 13 -11.671 1.122 -1.960 95 HB2 ASP 13 HB2 ASP 13 -14.255 2.195 -1.588 96 HB3 ASP 13 HB1 ASP 13 -13.462 3.159 -2.824 97 H GLN 14 HN GLN 14 -11.830 4.104 -0.377 98 HA GLN 14 HA GLN 14 -10.342 5.618 -2.309 99 HB2 GLN 14 HB2 GLN 14 -10.982 6.130 0.555 100 HB3 GLN 14 HB1 GLN 14 -9.955 7.211 -0.389 101 HG2 GLN 14 HG2 GLN 14 -12.741 6.455 -1.138 102 HG3 GLN 14 HG1 GLN 14 -12.353 7.912 -0.242 103 HE21 GLN 14 HE21 GLN 14 -12.327 6.330 -3.149 104 HE22 GLN 14 HE22 GLN 14 -11.779 7.594 -4.181 105 H VAL 15 HN VAL 15 -9.605 3.841 0.581 106 HA VAL 15 HA VAL 15 -6.941 4.769 0.673 107 HB VAL 15 HB VAL 15 -8.355 2.574 2.212 108 HG11 VAL 15 HG11 VAL 15 -6.002 1.898 1.836 109 HG12 VAL 15 HG12 VAL 15 -6.150 2.459 3.518 110 HG13 VAL 15 HG13 VAL 15 -5.478 3.510 2.247 111 HG21 VAL 15 HG21 VAL 15 -7.099 5.196 3.002 112 HG22 VAL 15 HG22 VAL 15 -7.822 4.051 4.108 113 HG23 VAL 15 HG23 VAL 15 -8.831 4.847 2.888 114 H LYS 16 HN LYS 16 -8.604 1.888 -0.598 115 HA LYS 16 HA LYS 16 -6.431 0.627 -1.520 116 HB2 LYS 16 HB2 LYS 16 -9.253 0.927 -2.362 117 HB3 LYS 16 HB1 LYS 16 -8.169 0.064 -3.413 118 HG2 LYS 16 HG2 LYS 16 -7.662 -1.457 -1.424 119 HG3 LYS 16 HG1 LYS 16 -8.954 -0.623 -0.566 120 HD2 LYS 16 HD2 LYS 16 -9.275 -2.144 -3.165 121 HD3 LYS 16 HD1 LYS 16 -9.718 -2.756 -1.573 122 HE2 LYS 16 HE2 LYS 16 -11.357 -0.969 -1.328 123 HE3 LYS 16 HE1 LYS 16 -10.797 -0.295 -2.860 124 HZ1 LYS 16 HZ1 LYS 16 -12.203 -2.905 -2.557 125 HZ2 LYS 16 HZ2 LYS 16 -11.633 -2.241 -3.991 126 HZ3 LYS 16 HZ3 LYS 16 -12.849 -1.453 -3.158 127 H GLU 17 HN GLU 17 -8.294 3.284 -3.014 128 HA GLU 17 HA GLU 17 -6.681 3.414 -5.286 129 HB2 GLU 17 HB2 GLU 17 -8.424 5.539 -4.026 130 HB3 GLU 17 HB1 GLU 17 -7.585 5.767 -5.558 131 HG2 GLU 17 HG2 GLU 17 -8.769 3.821 -6.456 132 HG3 GLU 17 HG1 GLU 17 -9.638 3.666 -4.935 133 H GLN 18 HN GLN 18 -6.109 4.826 -2.064 134 HA GLN 18 HA GLN 18 -4.125 6.549 -3.024 135 HB2 GLN 18 HB2 GLN 18 -3.641 7.163 -0.746 136 HB3 GLN 18 HB1 GLN 18 -5.342 6.720 -0.820 137 HG2 GLN 18 HG2 GLN 18 -4.972 4.669 0.213 138 HG3 GLN 18 HG1 GLN 18 -3.229 4.876 0.123 139 HE21 GLN 18 HE21 GLN 18 -6.136 6.028 1.683 140 HE22 GLN 18 HE22 GLN 18 -5.326 6.743 3.030 141 H LEU 19 HN LEU 19 -4.025 3.504 -1.565 142 HA LEU 19 HA LEU 19 -1.274 3.062 -1.600 143 HB2 LEU 19 HB2 LEU 19 -3.737 1.541 -1.343 144 HB3 LEU 19 HB1 LEU 19 -2.243 0.676 -1.520 145 HG LEU 19 HG LEU 19 -2.845 2.742 0.637 146 HD11 LEU 19 HD11 LEU 19 -4.250 0.818 0.885 147 HD12 LEU 19 HD12 LEU 19 -3.036 0.861 2.167 148 HD13 LEU 19 HD13 LEU 19 -2.853 -0.251 0.801 149 HD21 LEU 19 HD21 LEU 19 -0.558 0.794 0.359 150 HD22 LEU 19 HD22 LEU 19 -0.860 1.808 1.766 151 HD23 LEU 19 HD23 LEU 19 -0.453 2.552 0.222 152 H THR 20 HN THR 20 -3.852 2.218 -3.870 153 HA THR 20 HA THR 20 -2.411 0.651 -5.627 154 HB THR 20 HB THR 20 -4.775 2.471 -5.938 155 HG1 THR 20 HG1 THR 20 -4.420 0.011 -5.092 156 HG21 THR 20 HG21 THR 20 -3.675 0.660 -8.122 157 HG22 THR 20 HG22 THR 20 -3.731 2.431 -8.120 158 HG23 THR 20 HG23 THR 20 -5.234 1.514 -8.138 159 H GLU 21 HN GLU 21 -2.962 4.167 -5.702 160 HA GLU 21 HA GLU 21 -1.568 4.598 -8.119 161 HB2 GLU 21 HB2 GLU 21 -3.208 6.096 -7.257 162 HB3 GLU 21 HB1 GLU 21 -2.251 6.430 -5.819 163 HG2 GLU 21 HG2 GLU 21 -2.078 8.290 -7.342 164 HG3 GLU 21 HG1 GLU 21 -0.521 7.468 -7.261 165 H SER 22 HN SER 22 -0.694 4.694 -4.821 166 HA SER 22 HA SER 22 1.900 5.787 -5.117 167 HB2 SER 22 HB2 SER 22 0.822 4.089 -2.853 168 HB3 SER 22 HB1 SER 22 2.246 5.132 -2.775 169 HG SER 22 HG SER 22 -0.477 5.800 -2.925 170 H GLY 23 HN GLY 23 0.748 2.483 -4.830 171 HA2 GLY 23 HA2 GLY 23 3.262 1.139 -5.025 172 HA3 GLY 23 HA1 GLY 23 1.693 0.456 -5.419 173 H LYS 24 HN LYS 24 0.977 2.320 -7.437 174 HA LYS 24 HA LYS 24 2.166 1.163 -9.674 175 HB2 LYS 24 HB2 LYS 24 0.473 3.610 -9.325 176 HB3 LYS 24 HB1 LYS 24 0.931 2.968 -10.897 177 HG2 LYS 24 HG2 LYS 24 -0.390 1.284 -8.822 178 HG3 LYS 24 HG1 LYS 24 -1.365 2.295 -9.869 179 HD2 LYS 24 HD2 LYS 24 0.624 0.149 -10.795 180 HD3 LYS 24 HD1 LYS 24 -1.106 -0.113 -10.623 181 HE2 LYS 24 HE2 LYS 24 -1.609 1.438 -12.273 182 HE3 LYS 24 HE1 LYS 24 0.036 2.033 -12.372 183 HZ1 LYS 24 HZ1 LYS 24 -0.469 0.591 -14.243 184 HZ2 LYS 24 HZ2 LYS 24 -0.920 -0.664 -13.248 185 HZ3 LYS 24 HZ3 LYS 24 0.684 -0.159 -13.294 186 H LYS 25 HN LYS 25 2.867 4.139 -7.971 187 HA LYS 25 HA LYS 25 4.662 5.219 -9.907 188 HB2 LYS 25 HB2 LYS 25 4.397 5.698 -6.949 189 HB3 LYS 25 HB1 LYS 25 5.356 6.689 -8.038 190 HG2 LYS 25 HG2 LYS 25 3.324 7.384 -9.195 191 HG3 LYS 25 HG1 LYS 25 2.361 6.330 -8.162 192 HD2 LYS 25 HD2 LYS 25 2.222 8.620 -7.354 193 HD3 LYS 25 HD1 LYS 25 3.094 7.625 -6.196 194 HE2 LYS 25 HE2 LYS 25 4.197 9.784 -6.473 195 HE3 LYS 25 HE1 LYS 25 5.231 8.490 -7.051 196 HZ1 LYS 25 HZ1 LYS 25 5.246 10.351 -8.539 197 HZ2 LYS 25 HZ2 LYS 25 3.580 10.297 -8.727 198 HZ3 LYS 25 HZ3 LYS 25 4.546 9.033 -9.328 199 H ARG 26 HN ARG 26 4.916 3.264 -7.083 200 HA ARG 26 HA ARG 26 7.799 3.381 -6.939 201 HB2 ARG 26 HB2 ARG 26 5.867 1.684 -5.402 202 HB3 ARG 26 HB1 ARG 26 7.567 1.890 -5.037 203 HG2 ARG 26 HG2 ARG 26 7.176 4.259 -4.599 204 HG3 ARG 26 HG1 ARG 26 5.468 4.035 -4.987 205 HD2 ARG 26 HD2 ARG 26 5.417 2.266 -3.209 206 HD3 ARG 26 HD1 ARG 26 7.016 2.822 -2.731 207 HE ARG 26 HE ARG 26 5.424 5.064 -2.795 208 HH11 ARG 26 HH11 ARG 26 5.594 2.044 -1.044 209 HH12 ARG 26 HH12 ARG 26 4.751 2.589 0.319 210 HH21 ARG 26 HH21 ARG 26 4.259 5.869 -0.932 211 HH22 ARG 26 HH22 ARG 26 3.958 4.833 0.399 212 H GLY 27 HN GLY 27 5.378 0.970 -7.704 213 HA2 GLY 27 HA2 GLY 27 5.547 -0.793 -9.142 214 HA3 GLY 27 HA1 GLY 27 7.316 -0.720 -9.064 215 H VAL 28 HN VAL 28 5.823 -0.265 -6.088 216 HA VAL 28 HA VAL 28 5.642 -2.969 -5.253 217 HB VAL 28 HB VAL 28 8.080 -2.642 -5.666 218 HG11 VAL 28 HG11 VAL 28 7.893 -0.774 -3.347 219 HG12 VAL 28 HG12 VAL 28 8.295 -0.341 -5.014 220 HG13 VAL 28 HG13 VAL 28 9.399 -1.360 -4.067 221 HG21 VAL 28 HG21 VAL 28 8.794 -3.612 -3.541 222 HG22 VAL 28 HG22 VAL 28 7.315 -4.314 -4.244 223 HG23 VAL 28 HG23 VAL 28 7.195 -3.152 -2.904 224 H LEU 29 HN LEU 29 5.112 -3.144 -3.132 225 HA LEU 29 HA LEU 29 4.920 -0.812 -1.464 226 HB2 LEU 29 HB2 LEU 29 2.608 -2.543 -2.289 227 HB3 LEU 29 HB1 LEU 29 2.585 -1.663 -0.786 228 HG LEU 29 HG LEU 29 2.773 -0.383 -3.520 229 HD11 LEU 29 HD11 LEU 29 0.438 0.209 -3.174 230 HD12 LEU 29 HD12 LEU 29 0.434 -0.680 -1.648 231 HD13 LEU 29 HD13 LEU 29 0.645 -1.543 -3.171 232 HD21 LEU 29 HD21 LEU 29 2.261 0.742 -0.780 233 HD22 LEU 29 HD22 LEU 29 2.158 1.643 -2.291 234 HD23 LEU 29 HD23 LEU 29 3.718 1.004 -1.750 235 H THR 30 HN THR 30 5.404 -1.486 0.647 236 HA THR 30 HA THR 30 5.865 -4.246 1.166 237 HB THR 30 HB THR 30 6.146 -3.505 3.593 238 HG1 THR 30 HG1 THR 30 5.650 -0.963 2.433 239 HG21 THR 30 HG21 THR 30 8.089 -3.789 2.316 240 HG22 THR 30 HG22 THR 30 8.284 -2.254 3.169 241 HG23 THR 30 HG23 THR 30 7.855 -2.271 1.451 242 H TYR 31 HN TYR 31 4.598 -5.664 2.430 243 HA TYR 31 HA TYR 31 1.797 -5.458 2.295 244 HB2 TYR 31 HB2 TYR 31 3.385 -7.110 4.268 245 HB3 TYR 31 HB1 TYR 31 1.668 -7.281 3.965 246 HD1 TYR 31 HD1 TYR 31 4.717 -8.660 3.366 247 HD2 TYR 31 HD2 TYR 31 1.182 -7.620 1.309 248 HE1 TYR 31 HE1 TYR 31 5.253 -10.332 1.643 249 HE2 TYR 31 HE2 TYR 31 1.684 -9.285 -0.423 250 HH TYR 31 HH TYR 31 3.665 -10.442 -1.324 251 H GLU 32 HN GLU 32 3.991 -4.692 4.917 252 HA GLU 32 HA GLU 32 1.847 -4.264 6.690 253 HB2 GLU 32 HB2 GLU 32 4.760 -3.665 7.086 254 HB3 GLU 32 HB1 GLU 32 3.515 -3.529 8.327 255 HG2 GLU 32 HG2 GLU 32 2.979 -5.985 7.643 256 HG3 GLU 32 HG1 GLU 32 4.635 -5.965 7.043 257 H GLU 33 HN GLU 33 3.210 -2.157 4.371 258 HA GLU 33 HA GLU 33 2.237 0.127 5.891 259 HB2 GLU 33 HB2 GLU 33 3.057 1.535 4.158 260 HB3 GLU 33 HB1 GLU 33 4.281 0.298 4.400 261 HG2 GLU 33 HG2 GLU 33 3.392 -0.903 2.451 262 HG3 GLU 33 HG1 GLU 33 2.249 0.415 2.194 263 H ILE 34 HN ILE 34 1.302 -2.082 3.445 264 HA ILE 34 HA ILE 34 -0.921 -0.663 2.477 265 HB ILE 34 HB ILE 34 -0.362 -3.645 2.529 266 HG12 ILE 34 HG12 ILE 34 -0.077 -1.582 0.340 267 HG13 ILE 34 HG11 ILE 34 1.242 -2.267 1.280 268 HG21 ILE 34 HG21 ILE 34 -2.136 -3.808 0.799 269 HG22 ILE 34 HG22 ILE 34 -2.440 -2.084 0.999 270 HG23 ILE 34 HG23 ILE 34 -2.763 -3.186 2.331 271 HD11 ILE 34 HD11 ILE 34 0.809 -4.446 0.337 272 HD12 ILE 34 HD12 ILE 34 1.029 -3.239 -0.935 273 HD13 ILE 34 HD13 ILE 34 -0.590 -3.803 -0.530 274 H ALA 35 HN ALA 35 -0.351 -2.952 5.155 275 HA ALA 35 HA ALA 35 -2.988 -3.213 5.917 276 HB1 ALA 35 HB1 ALA 35 -1.317 -4.870 6.480 277 HB2 ALA 35 HB2 ALA 35 -2.020 -4.205 7.956 278 HB3 ALA 35 HB3 ALA 35 -0.418 -3.684 7.428 279 H GLU 36 HN GLU 36 -0.492 -0.890 6.361 280 HA GLU 36 HA GLU 36 -1.069 0.174 8.894 281 HB2 GLU 36 HB2 GLU 36 1.101 0.314 7.723 282 HB3 GLU 36 HB1 GLU 36 0.393 1.354 6.513 283 HG2 GLU 36 HG2 GLU 36 0.471 2.153 9.392 284 HG3 GLU 36 HG1 GLU 36 1.891 2.348 8.371 285 H ARG 37 HN ARG 37 -1.964 1.297 5.609 286 HA ARG 37 HA ARG 37 -3.582 3.385 6.628 287 HB2 ARG 37 HB2 ARG 37 -3.595 2.079 3.899 288 HB3 ARG 37 HB1 ARG 37 -4.313 3.628 4.323 289 HG2 ARG 37 HG2 ARG 37 -1.410 2.955 4.475 290 HG3 ARG 37 HG1 ARG 37 -2.166 3.853 3.163 291 HD2 ARG 37 HD2 ARG 37 -2.713 5.679 4.552 292 HD3 ARG 37 HD1 ARG 37 -2.398 4.751 6.020 293 HE ARG 37 HE ARG 37 -0.098 4.861 5.570 294 HH11 ARG 37 HH11 ARG 37 -1.990 7.030 3.480 295 HH12 ARG 37 HH12 ARG 37 -0.800 8.245 3.426 296 HH21 ARG 37 HH21 ARG 37 1.539 6.479 5.449 297 HH22 ARG 37 HH22 ARG 37 1.290 7.908 4.541 298 H MET 38 HN MET 38 -4.075 0.044 6.003 299 HA MET 38 HA MET 38 -6.937 0.269 5.910 300 HB2 MET 38 HB2 MET 38 -5.206 -2.193 6.077 301 HB3 MET 38 HB1 MET 38 -6.939 -2.180 5.825 302 HG2 MET 38 HG2 MET 38 -4.880 -1.026 3.985 303 HG3 MET 38 HG1 MET 38 -5.749 -2.549 3.764 304 HE1 MET 38 HE1 MET 38 -5.572 -0.457 1.534 305 HE2 MET 38 HE2 MET 38 -7.235 -0.320 0.966 306 HE3 MET 38 HE3 MET 38 -6.564 -1.902 1.369 307 H SER 39 HN SER 39 -4.674 0.248 8.350 308 HA SER 39 HA SER 39 -5.762 -1.427 10.302 309 HB2 SER 39 HB2 SER 39 -4.251 1.165 10.714 310 HB3 SER 39 HB1 SER 39 -4.487 -0.094 11.926 311 HG SER 39 HG SER 39 -3.430 -1.016 9.556 312 H SER 40 HN SER 40 -6.699 1.801 9.306 313 HA SER 40 HA SER 40 -8.315 2.511 11.445 314 HB2 SER 40 HB2 SER 40 -8.677 3.163 8.526 315 HB3 SER 40 HB1 SER 40 -9.189 4.142 9.903 316 HG SER 40 HG SER 40 -7.280 5.010 9.844 317 H PHE 41 HN PHE 41 -8.893 0.432 8.652 318 HA PHE 41 HA PHE 41 -11.748 0.148 9.195 319 HB2 PHE 41 HB2 PHE 41 -9.987 -1.120 7.132 320 HB3 PHE 41 HB1 PHE 41 -11.728 -1.161 7.064 321 HD1 PHE 41 HD1 PHE 41 -12.760 1.354 7.248 322 HD2 PHE 41 HD2 PHE 41 -8.906 0.279 5.849 323 HE1 PHE 41 HE1 PHE 41 -12.613 3.480 6.021 324 HE2 PHE 41 HE2 PHE 41 -8.743 2.374 4.626 325 HZ PHE 41 HZ PHE 41 -10.590 3.983 4.710 326 H GLU 42 HN GLU 42 -8.768 -1.500 9.651 327 HA GLU 42 HA GLU 42 -8.109 -3.470 10.453 328 HB2 GLU 42 HB2 GLU 42 -10.888 -3.602 11.670 329 HB3 GLU 42 HB1 GLU 42 -9.605 -4.735 12.043 330 HG2 GLU 42 HG2 GLU 42 -8.258 -2.873 12.930 331 HG3 GLU 42 HG1 GLU 42 -9.595 -1.770 12.615 332 H ILE 43 HN ILE 43 -8.000 -4.000 8.282 333 HA ILE 43 HA ILE 43 -10.154 -5.527 7.064 334 HB ILE 43 HB ILE 43 -7.490 -4.579 5.990 335 HG12 ILE 43 HG12 ILE 43 -9.152 -2.821 6.455 336 HG13 ILE 43 HG11 ILE 43 -8.757 -2.960 4.742 337 HG21 ILE 43 HG21 ILE 43 -8.213 -6.644 4.879 338 HG22 ILE 43 HG22 ILE 43 -8.250 -5.244 3.798 339 HG23 ILE 43 HG23 ILE 43 -9.747 -5.856 4.504 340 HD11 ILE 43 HD11 ILE 43 -11.128 -2.640 5.010 341 HD12 ILE 43 HD12 ILE 43 -11.218 -4.031 6.107 342 HD13 ILE 43 HD13 ILE 43 -10.769 -4.264 4.408 343 H GLU 44 HN GLU 44 -10.225 -7.481 6.816 344 HA GLU 44 HA GLU 44 -8.639 -9.420 8.141 345 HB2 GLU 44 HB2 GLU 44 -10.624 -9.655 5.901 346 HB3 GLU 44 HB1 GLU 44 -9.983 -11.000 6.824 347 HG2 GLU 44 HG2 GLU 44 -11.532 -8.717 7.979 348 HG3 GLU 44 HG1 GLU 44 -12.223 -10.278 7.538 349 H SER 45 HN SER 45 -7.274 -10.937 7.326 350 HA SER 45 HA SER 45 -5.465 -10.200 5.366 351 HB2 SER 45 HB2 SER 45 -6.134 -12.883 6.539 352 HB3 SER 45 HB1 SER 45 -4.619 -12.498 5.695 353 HG SER 45 HG SER 45 -4.481 -10.754 7.359 354 H ASP 46 HN ASP 46 -8.445 -12.033 5.245 355 HA ASP 46 HA ASP 46 -8.378 -13.249 2.732 356 HB2 ASP 46 HB2 ASP 46 -10.730 -11.867 4.051 357 HB3 ASP 46 HB1 ASP 46 -10.842 -13.000 2.719 358 H GLN 47 HN GLN 47 -9.564 -10.026 3.617 359 HA GLN 47 HA GLN 47 -10.106 -9.249 0.917 360 HB2 GLN 47 HB2 GLN 47 -9.688 -7.348 3.196 361 HB3 GLN 47 HB1 GLN 47 -10.665 -7.107 1.760 362 HG2 GLN 47 HG2 GLN 47 -12.197 -8.931 2.688 363 HG3 GLN 47 HG1 GLN 47 -11.229 -8.798 4.162 364 HE21 GLN 47 HE21 GLN 47 -12.057 -6.078 2.123 365 HE22 GLN 47 HE22 GLN 47 -13.068 -5.294 3.270 366 H MET 48 HN MET 48 -7.445 -8.918 3.167 367 HA MET 48 HA MET 48 -6.077 -6.984 1.768 368 HB2 MET 48 HB2 MET 48 -5.069 -9.071 3.689 369 HB3 MET 48 HB1 MET 48 -3.953 -7.995 2.881 370 HG2 MET 48 HG2 MET 48 -6.260 -6.929 4.474 371 HG3 MET 48 HG1 MET 48 -4.773 -7.427 5.249 372 HE1 MET 48 HE1 MET 48 -5.012 -3.820 2.301 373 HE2 MET 48 HE2 MET 48 -6.362 -4.921 2.600 374 HE3 MET 48 HE3 MET 48 -4.945 -5.452 1.678 375 H ASP 49 HN ASP 49 -5.839 -10.539 1.645 376 HA ASP 49 HA ASP 49 -3.840 -10.854 -0.334 377 HB2 ASP 49 HB2 ASP 49 -4.759 -12.717 1.031 378 HB3 ASP 49 HB1 ASP 49 -6.282 -12.577 0.174 379 H GLU 50 HN GLU 50 -7.296 -10.491 -0.571 380 HA GLU 50 HA GLU 50 -7.590 -10.771 -3.312 381 HB2 GLU 50 HB2 GLU 50 -9.405 -10.733 -1.587 382 HB3 GLU 50 HB1 GLU 50 -9.184 -9.001 -1.455 383 HG2 GLU 50 HG2 GLU 50 -9.925 -8.691 -3.734 384 HG3 GLU 50 HG1 GLU 50 -10.044 -10.436 -3.950 385 H TYR 51 HN TYR 51 -6.954 -7.929 -1.316 386 HA TYR 51 HA TYR 51 -6.839 -6.093 -3.471 387 HB2 TYR 51 HB2 TYR 51 -7.249 -5.367 -1.150 388 HB3 TYR 51 HB1 TYR 51 -5.621 -5.845 -0.712 389 HD1 TYR 51 HD1 TYR 51 -4.429 -3.922 -0.208 390 HD2 TYR 51 HD2 TYR 51 -6.890 -3.928 -3.703 391 HE1 TYR 51 HE1 TYR 51 -3.565 -1.703 -0.842 392 HE2 TYR 51 HE2 TYR 51 -6.048 -1.726 -4.295 393 HH TYR 51 HH TYR 51 -4.984 0.239 -3.174 394 H TYR 52 HN TYR 52 -4.394 -8.089 -1.860 395 HA TYR 52 HA TYR 52 -2.157 -6.915 -3.080 396 HB2 TYR 52 HB2 TYR 52 -2.494 -9.747 -2.062 397 HB3 TYR 52 HB1 TYR 52 -0.969 -9.056 -2.583 398 HD1 TYR 52 HD1 TYR 52 -2.065 -10.166 0.214 399 HD2 TYR 52 HD2 TYR 52 -1.295 -6.296 -1.373 400 HE1 TYR 52 HE1 TYR 52 -1.726 -9.286 2.482 401 HE2 TYR 52 HE2 TYR 52 -0.953 -5.448 0.881 402 HH TYR 52 HH TYR 52 -0.505 -7.453 3.506 403 H GLU 53 HN GLU 53 -4.182 -9.616 -4.047 404 HA GLU 53 HA GLU 53 -2.863 -10.265 -6.406 405 HB2 GLU 53 HB2 GLU 53 -4.635 -11.520 -5.131 406 HB3 GLU 53 HB1 GLU 53 -5.808 -10.432 -5.833 407 HG2 GLU 53 HG2 GLU 53 -5.296 -11.218 -8.038 408 HG3 GLU 53 HG1 GLU 53 -3.997 -12.238 -7.410 409 H PHE 54 HN PHE 54 -5.494 -7.994 -5.705 410 HA PHE 54 HA PHE 54 -6.004 -7.050 -8.260 411 HB2 PHE 54 HB2 PHE 54 -7.514 -6.420 -6.533 412 HB3 PHE 54 HB1 PHE 54 -6.216 -5.788 -5.532 413 HD1 PHE 54 HD1 PHE 54 -5.455 -3.620 -5.748 414 HD2 PHE 54 HD2 PHE 54 -8.254 -5.138 -8.535 415 HE1 PHE 54 HE1 PHE 54 -5.786 -1.352 -6.613 416 HE2 PHE 54 HE2 PHE 54 -8.601 -2.856 -9.421 417 HZ PHE 54 HZ PHE 54 -7.326 -0.965 -8.435 418 H LEU 55 HN LEU 55 -3.781 -5.777 -5.822 419 HA LEU 55 HA LEU 55 -2.659 -3.741 -7.328 420 HB2 LEU 55 HB2 LEU 55 -1.517 -5.372 -5.089 421 HB3 LEU 55 HB1 LEU 55 -0.668 -4.014 -5.781 422 HG LEU 55 HG LEU 55 -3.355 -3.878 -4.430 423 HD11 LEU 55 HD11 LEU 55 -0.608 -3.048 -3.550 424 HD12 LEU 55 HD12 LEU 55 -1.586 -4.346 -2.853 425 HD13 LEU 55 HD13 LEU 55 -2.100 -2.665 -2.699 426 HD21 LEU 55 HD21 LEU 55 -3.153 -2.173 -6.158 427 HD22 LEU 55 HD22 LEU 55 -1.565 -1.713 -5.555 428 HD23 LEU 55 HD23 LEU 55 -3.000 -1.440 -4.568 429 H GLY 56 HN GLY 56 -1.695 -7.090 -7.050 430 HA2 GLY 56 HA2 GLY 56 0.620 -6.997 -8.618 431 HA3 GLY 56 HA1 GLY 56 -0.384 -8.425 -8.391 432 H GLU 57 HN GLU 57 -2.771 -7.460 -9.579 433 HA GLU 57 HA GLU 57 -2.367 -7.890 -12.263 434 HB2 GLU 57 HB2 GLU 57 -4.609 -6.571 -10.783 435 HB3 GLU 57 HB1 GLU 57 -4.678 -6.998 -12.484 436 HG2 GLU 57 HG2 GLU 57 -4.366 -8.870 -10.151 437 HG3 GLU 57 HG1 GLU 57 -5.806 -8.666 -11.145 438 H GLN 58 HN GLN 58 -2.586 -4.885 -10.454 439 HA GLN 58 HA GLN 58 -2.679 -3.216 -12.777 440 HB2 GLN 58 HB2 GLN 58 -1.968 -2.403 -9.952 441 HB3 GLN 58 HB1 GLN 58 -2.574 -1.351 -11.224 442 HG2 GLN 58 HG2 GLN 58 -4.071 -3.541 -9.788 443 HG3 GLN 58 HG1 GLN 58 -4.352 -1.808 -9.687 444 HE21 GLN 58 HE21 GLN 58 -6.069 -4.103 -10.522 445 HE22 GLN 58 HE22 GLN 58 -6.661 -3.660 -12.071 446 H GLY 59 HN GLY 59 -0.208 -3.991 -10.400 447 HA2 GLY 59 HA2 GLY 59 1.903 -4.597 -11.835 448 HA3 GLY 59 HA1 GLY 59 1.795 -2.891 -12.237 449 H VAL 60 HN VAL 60 1.154 -4.339 -9.093 450 HA VAL 60 HA VAL 60 3.478 -2.862 -8.047 451 HB VAL 60 HB VAL 60 0.940 -3.481 -6.557 452 HG11 VAL 60 HG11 VAL 60 3.214 -1.626 -5.910 453 HG12 VAL 60 HG12 VAL 60 2.923 -3.206 -5.204 454 HG13 VAL 60 HG13 VAL 60 1.780 -1.894 -4.916 455 HG21 VAL 60 HG21 VAL 60 1.717 -0.890 -7.881 456 HG22 VAL 60 HG22 VAL 60 0.344 -1.094 -6.788 457 HG23 VAL 60 HG23 VAL 60 0.369 -1.926 -8.347 458 H GLU 61 HN GLU 61 4.902 -4.142 -7.154 459 HA GLU 61 HA GLU 61 4.214 -6.884 -6.543 460 HB2 GLU 61 HB2 GLU 61 6.803 -5.346 -6.555 461 HB3 GLU 61 HB1 GLU 61 6.676 -7.059 -6.164 462 HG2 GLU 61 HG2 GLU 61 5.793 -7.528 -8.308 463 HG3 GLU 61 HG1 GLU 61 5.743 -5.832 -8.737 464 H LEU 62 HN LEU 62 3.952 -7.594 -4.481 465 HA LEU 62 HA LEU 62 4.187 -5.538 -2.458 466 HB2 LEU 62 HB2 LEU 62 2.809 -8.195 -2.298 467 HB3 LEU 62 HB1 LEU 62 2.752 -6.919 -1.101 468 HG LEU 62 HG LEU 62 0.771 -6.696 -2.064 469 HD11 LEU 62 HD11 LEU 62 2.394 -4.907 -3.802 470 HD12 LEU 62 HD12 LEU 62 1.799 -4.578 -2.179 471 HD13 LEU 62 HD13 LEU 62 0.655 -4.773 -3.518 472 HD21 LEU 62 HD21 LEU 62 0.232 -6.916 -4.454 473 HD22 LEU 62 HD22 LEU 62 0.806 -8.359 -3.654 474 HD23 LEU 62 HD23 LEU 62 1.899 -7.465 -4.735 475 H ILE 63 HN ILE 63 5.968 -5.508 -1.402 476 HA ILE 63 HA ILE 63 7.393 -8.013 -0.882 477 HB ILE 63 HB ILE 63 9.265 -6.613 -0.107 478 HG12 ILE 63 HG12 ILE 63 7.589 -4.284 -1.051 479 HG13 ILE 63 HG11 ILE 63 7.988 -4.664 0.615 480 HG21 ILE 63 HG21 ILE 63 9.184 -7.369 -2.390 481 HG22 ILE 63 HG22 ILE 63 9.941 -5.766 -2.240 482 HG23 ILE 63 HG23 ILE 63 8.264 -5.902 -2.813 483 HD11 ILE 63 HD11 ILE 63 10.345 -4.245 0.180 484 HD12 ILE 63 HD12 ILE 63 9.382 -2.844 -0.294 485 HD13 ILE 63 HD13 ILE 63 9.995 -3.952 -1.520 486 H SER 64 HN SER 64 8.443 -8.086 1.305 487 HA SER 64 HA SER 64 6.460 -8.056 3.290 488 HB2 SER 64 HB2 SER 64 8.202 -9.682 3.253 489 HB3 SER 64 HB1 SER 64 9.440 -8.467 3.394 490 HG SER 64 HG SER 64 8.132 -9.710 5.373 491 H GLU 65 HN GLU 65 9.491 -6.685 3.869 492 HA GLU 65 HA GLU 65 9.449 -4.044 4.096 493 HB2 GLU 65 HB2 GLU 65 7.393 -4.330 5.664 494 HB3 GLU 65 HB1 GLU 65 8.496 -5.105 6.799 495 HG2 GLU 65 HG2 GLU 65 9.861 -3.068 6.831 496 HG3 GLU 65 HG1 GLU 65 8.708 -2.290 5.758 497 H ASN 66 HN ASN 66 9.954 -7.125 5.501 498 HA ASN 66 HA ASN 66 12.541 -6.672 6.629 499 HB2 ASN 66 HB2 ASN 66 10.969 -9.135 5.865 500 HB3 ASN 66 HB1 ASN 66 12.583 -9.214 6.554 501 HD21 ASN 66 HD21 ASN 66 9.902 -10.121 7.525 502 HD22 ASN 66 HD22 ASN 66 9.739 -9.403 9.082 503 H GLU 67 HN GLU 67 11.797 -6.090 3.710 504 HA GLU 67 HA GLU 67 14.264 -6.804 2.511 505 HB2 GLU 67 HB2 GLU 67 13.200 -7.766 0.512 506 HB3 GLU 67 HB1 GLU 67 12.790 -8.718 1.952 507 HG2 GLU 67 HG2 GLU 67 10.626 -7.535 2.023 508 HG3 GLU 67 HG1 GLU 67 11.121 -6.668 0.574 509 H GLU 68 HN GLU 68 14.533 -5.338 0.798 510 HA GLU 68 HA GLU 68 12.588 -3.624 -0.235 511 HB2 GLU 68 HB2 GLU 68 12.642 -2.763 2.099 512 HB3 GLU 68 HB1 GLU 68 14.329 -2.288 1.824 513 HG2 GLU 68 HG2 GLU 68 13.676 -0.723 0.200 514 HG3 GLU 68 HG1 GLU 68 12.007 -1.315 0.204 515 H THR 69 HN THR 69 13.365 -2.930 -2.021 516 HA THR 69 HA THR 69 16.248 -3.170 -2.361 517 HB THR 69 HB THR 69 15.748 -3.537 -4.841 518 HG1 THR 69 HG1 THR 69 13.554 -2.723 -4.774 519 HG21 THR 69 HG21 THR 69 15.127 -5.888 -4.520 520 HG22 THR 69 HG22 THR 69 14.584 -5.524 -2.881 521 HG23 THR 69 HG23 THR 69 16.290 -5.378 -3.292 522 H GLU 70 HN GLU 70 13.846 -0.997 -2.369 523 HA GLU 70 HA GLU 70 14.976 0.913 -4.174 524 HB2 GLU 70 HB2 GLU 70 13.320 2.460 -3.195 525 HB3 GLU 70 HB1 GLU 70 12.596 0.923 -3.675 526 HG2 GLU 70 HG2 GLU 70 12.847 0.145 -1.373 527 HG3 GLU 70 HG1 GLU 70 13.407 1.738 -0.911 528 H ASP 71 HN ASP 71 15.556 -0.083 -1.035 529 HA ASP 71 HA ASP 71 16.487 2.412 0.039 530 HB2 ASP 71 HB2 ASP 71 15.346 0.732 1.355 531 HB3 ASP 71 HB1 ASP 71 16.679 -0.381 1.131 532 H LEU 72 HN LEU 72 17.725 0.074 -1.790 533 HA LEU 72 HA LEU 72 20.507 0.230 -1.021 534 HB2 LEU 72 HB2 LEU 72 19.280 -0.776 -3.592 535 HB3 LEU 72 HB1 LEU 72 20.945 -1.019 -3.104 536 HG LEU 72 HG LEU 72 18.507 -2.175 -1.736 537 HD11 LEU 72 HD11 LEU 72 18.948 -3.248 -3.853 538 HD12 LEU 72 HD12 LEU 72 19.373 -4.322 -2.521 539 HD13 LEU 72 HD13 LEU 72 20.638 -3.481 -3.410 540 HD21 LEU 72 HD21 LEU 72 20.248 -1.713 -0.104 541 HD22 LEU 72 HD22 LEU 72 21.442 -2.504 -1.127 542 HD23 LEU 72 HD23 LEU 72 20.144 -3.450 -0.397 543 H GLU 73 HN GLU 73 18.340 1.927 -3.025 544 HA GLU 73 HA GLU 73 20.431 3.786 -3.858 545 HB2 GLU 73 HB2 GLU 73 17.976 2.914 -5.404 546 HB3 GLU 73 HB1 GLU 73 19.118 4.150 -5.919 547 HG2 GLU 73 HG2 GLU 73 20.884 2.511 -6.099 548 HG3 GLU 73 HG1 GLU 73 19.817 1.257 -5.472 549 H HIS 74 HN HIS 74 19.413 4.085 -1.580 550 HA HIS 74 HA HIS 74 16.818 5.196 -1.267 551 HB2 HIS 74 HB2 HIS 74 18.212 4.060 0.501 552 HB3 HIS 74 HB1 HIS 74 19.233 5.482 0.534 553 HD1 HIS 74 HD1 HIS 74 16.804 4.012 2.555 554 HD2 HIS 74 HD2 HIS 74 17.281 7.871 1.055 555 HE1 HIS 74 HE1 HIS 74 15.479 5.529 4.059 556 H HIS 75 HN HIS 75 20.064 6.548 -1.593 557 HA HIS 75 HA HIS 75 20.930 8.577 -1.840 558 HB2 HIS 75 HB2 HIS 75 18.212 9.216 -3.027 559 HB3 HIS 75 HB1 HIS 75 19.515 10.394 -2.981 560 HD1 HIS 75 HD1 HIS 75 20.712 10.526 -5.178 561 HD2 HIS 75 HD2 HIS 75 19.158 6.733 -4.458 562 HE1 HIS 75 HE1 HIS 75 21.201 9.182 -7.225 563 H HIS 76 HN HIS 76 17.729 9.857 -1.174 564 HA HIS 76 HA HIS 76 18.181 10.330 1.553 565 HB2 HIS 76 HB2 HIS 76 19.658 12.116 0.497 566 HB3 HIS 76 HB1 HIS 76 18.205 12.785 -0.238 567 HD1 HIS 76 HD1 HIS 76 20.305 13.233 2.632 568 HD2 HIS 76 HD2 HIS 76 16.220 13.461 1.937 569 HE1 HIS 76 HE1 HIS 76 19.353 14.585 4.513 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -11.983 6.636 -5.685 2 H2 ALA 1 HT2 ALA 1 -11.839 5.068 -6.233 3 H3 ALA 1 HT3 ALA 1 -13.293 5.550 -5.562 4 HA ALA 1 HA ALA 1 -11.932 6.407 -8.082 5 HB1 ALA 1 HB1 ALA 1 -13.839 5.408 -9.228 6 HB2 ALA 1 HB2 ALA 1 -14.517 4.918 -7.672 7 HB3 ALA 1 HB3 ALA 1 -12.988 4.239 -8.227 8 H ASP 2 HN ASP 2 -13.261 7.964 -5.633 9 HA ASP 2 HA ASP 2 -14.495 9.906 -7.321 10 HB2 ASP 2 HB2 ASP 2 -16.520 10.035 -5.874 11 HB3 ASP 2 HB1 ASP 2 -16.413 8.510 -6.735 12 H LYS 3 HN LYS 3 -15.411 11.575 -5.376 13 HA LYS 3 HA LYS 3 -12.927 12.456 -4.256 14 HB2 LYS 3 HB2 LYS 3 -15.715 13.613 -4.003 15 HB3 LYS 3 HB1 LYS 3 -14.247 14.386 -3.421 16 HG2 LYS 3 HG2 LYS 3 -13.400 14.524 -5.701 17 HG3 LYS 3 HG1 LYS 3 -14.841 13.703 -6.289 18 HD2 LYS 3 HD2 LYS 3 -15.187 15.992 -6.739 19 HD3 LYS 3 HD1 LYS 3 -16.176 15.640 -5.332 20 HE2 LYS 3 HE2 LYS 3 -13.431 16.926 -5.230 21 HE3 LYS 3 HE1 LYS 3 -14.943 17.818 -5.255 22 HZ1 LYS 3 HZ1 LYS 3 -15.518 16.685 -3.136 23 HZ2 LYS 3 HZ2 LYS 3 -14.220 17.705 -3.057 24 HZ3 LYS 3 HZ3 LYS 3 -13.947 16.049 -3.061 25 H GLN 4 HN GLN 4 -12.179 11.622 -2.521 26 HA GLN 4 HA GLN 4 -13.498 9.978 -0.710 27 HB2 GLN 4 HB2 GLN 4 -11.560 10.264 0.826 28 HB3 GLN 4 HB1 GLN 4 -11.102 9.821 -0.803 29 HG2 GLN 4 HG2 GLN 4 -11.023 12.660 0.209 30 HG3 GLN 4 HG1 GLN 4 -9.664 11.552 0.357 31 HE21 GLN 4 HE21 GLN 4 -10.166 10.289 -2.197 32 HE22 GLN 4 HE22 GLN 4 -9.689 11.402 -3.417 33 H THR 5 HN THR 5 -13.559 10.317 1.710 34 HA THR 5 HA THR 5 -15.491 12.192 2.293 35 HB THR 5 HB THR 5 -14.807 11.371 4.682 36 HG1 THR 5 HG1 THR 5 -12.775 10.520 4.118 37 HG21 THR 5 HG21 THR 5 -16.039 9.290 4.304 38 HG22 THR 5 HG22 THR 5 -15.782 9.431 2.569 39 HG23 THR 5 HG23 THR 5 -16.804 10.600 3.401 40 H HIS 6 HN HIS 6 -15.285 13.687 4.183 41 HA HIS 6 HA HIS 6 -13.279 15.617 3.629 42 HB2 HIS 6 HB2 HIS 6 -15.307 15.487 5.866 43 HB3 HIS 6 HB1 HIS 6 -14.221 16.846 5.607 44 HD1 HIS 6 HD1 HIS 6 -17.574 16.221 5.169 45 HD2 HIS 6 HD2 HIS 6 -14.636 17.501 2.526 46 HE1 HIS 6 HE1 HIS 6 -18.772 17.488 3.349 47 H GLU 7 HN GLU 7 -11.654 16.346 4.896 48 HA GLU 7 HA GLU 7 -9.969 16.387 6.320 49 HB2 GLU 7 HB2 GLU 7 -11.734 14.644 8.037 50 HB3 GLU 7 HB1 GLU 7 -10.216 15.353 8.587 51 HG2 GLU 7 HG2 GLU 7 -11.101 17.598 8.140 52 HG3 GLU 7 HG1 GLU 7 -12.616 16.877 7.608 53 H THR 8 HN THR 8 -8.921 14.240 8.019 54 HA THR 8 HA THR 8 -7.246 13.142 5.991 55 HB THR 8 HB THR 8 -6.103 12.187 8.083 56 HG1 THR 8 HG1 THR 8 -8.070 12.576 9.398 57 HG21 THR 8 HG21 THR 8 -5.108 14.394 8.559 58 HG22 THR 8 HG22 THR 8 -6.443 15.153 7.680 59 HG23 THR 8 HG23 THR 8 -5.301 14.118 6.823 60 H GLU 9 HN GLU 9 -10.016 12.055 6.551 61 HA GLU 9 HA GLU 9 -9.121 9.272 6.601 62 HB2 GLU 9 HB2 GLU 9 -11.689 10.475 7.450 63 HB3 GLU 9 HB1 GLU 9 -11.485 8.723 7.290 64 HG2 GLU 9 HG2 GLU 9 -11.154 9.043 9.582 65 HG3 GLU 9 HG1 GLU 9 -9.515 9.173 8.921 66 H LEU 10 HN LEU 10 -9.866 7.889 5.134 67 HA LEU 10 HA LEU 10 -11.332 9.029 2.865 68 HB2 LEU 10 HB2 LEU 10 -9.281 6.877 2.532 69 HB3 LEU 10 HB1 LEU 10 -9.894 8.007 1.354 70 HG LEU 10 HG LEU 10 -8.571 9.763 2.814 71 HD11 LEU 10 HD11 LEU 10 -6.558 8.802 3.816 72 HD12 LEU 10 HD12 LEU 10 -7.192 7.193 3.409 73 HD13 LEU 10 HD13 LEU 10 -8.054 8.194 4.570 74 HD21 LEU 10 HD21 LEU 10 -8.104 9.202 0.474 75 HD22 LEU 10 HD22 LEU 10 -7.188 7.784 1.029 76 HD23 LEU 10 HD23 LEU 10 -6.623 9.413 1.418 77 H THR 11 HN THR 11 -11.915 6.877 1.471 78 HA THR 11 HA THR 11 -13.296 5.209 3.392 79 HB THR 11 HB THR 11 -14.846 4.683 1.612 80 HG1 THR 11 HG1 THR 11 -14.182 5.411 -0.601 81 HG21 THR 11 HG21 THR 11 -15.489 6.798 0.646 82 HG22 THR 11 HG22 THR 11 -13.868 7.419 0.874 83 HG23 THR 11 HG23 THR 11 -14.900 7.128 2.289 84 H PHE 12 HN PHE 12 -13.511 2.802 2.474 85 HA PHE 12 HA PHE 12 -10.895 1.735 2.536 86 HB2 PHE 12 HB2 PHE 12 -12.777 0.422 3.372 87 HB3 PHE 12 HB1 PHE 12 -13.521 0.425 1.777 88 HD1 PHE 12 HD1 PHE 12 -10.119 -0.411 3.141 89 HD2 PHE 12 HD2 PHE 12 -13.441 -1.630 0.756 90 HE1 PHE 12 HE1 PHE 12 -8.973 -2.460 2.605 91 HE2 PHE 12 HE2 PHE 12 -12.263 -3.725 0.226 92 HZ PHE 12 HZ PHE 12 -9.997 -4.126 1.165 93 H ASP 13 HN ASP 13 -13.189 2.280 0.093 94 HA ASP 13 HA ASP 13 -11.945 1.413 -2.260 95 HB2 ASP 13 HB2 ASP 13 -14.239 2.250 -1.985 96 HB3 ASP 13 HB1 ASP 13 -13.600 3.862 -1.812 97 H GLN 14 HN GLN 14 -11.684 4.311 -0.487 98 HA GLN 14 HA GLN 14 -10.138 5.580 -2.500 99 HB2 GLN 14 HB2 GLN 14 -10.821 6.535 0.250 100 HB3 GLN 14 HB1 GLN 14 -9.899 7.509 -0.874 101 HG2 GLN 14 HG2 GLN 14 -12.689 6.467 -1.328 102 HG3 GLN 14 HG1 GLN 14 -12.251 8.121 -0.903 103 HE21 GLN 14 HE21 GLN 14 -9.938 8.113 -2.631 104 HE22 GLN 14 HE22 GLN 14 -10.522 8.241 -4.254 105 H VAL 15 HN VAL 15 -9.566 3.959 0.469 106 HA VAL 15 HA VAL 15 -6.845 4.759 0.703 107 HB VAL 15 HB VAL 15 -8.466 2.671 2.194 108 HG11 VAL 15 HG11 VAL 15 -6.189 1.787 1.914 109 HG12 VAL 15 HG12 VAL 15 -6.350 2.372 3.588 110 HG13 VAL 15 HG13 VAL 15 -5.533 3.348 2.343 111 HG21 VAL 15 HG21 VAL 15 -7.967 4.119 4.087 112 HG22 VAL 15 HG22 VAL 15 -8.750 5.020 2.776 113 HG23 VAL 15 HG23 VAL 15 -7.000 5.147 3.035 114 H LYS 16 HN LYS 16 -8.585 1.885 -0.527 115 HA LYS 16 HA LYS 16 -6.429 0.514 -1.321 116 HB2 LYS 16 HB2 LYS 16 -9.209 0.891 -2.240 117 HB3 LYS 16 HB1 LYS 16 -8.169 -0.034 -3.279 118 HG2 LYS 16 HG2 LYS 16 -7.704 -1.495 -1.208 119 HG3 LYS 16 HG1 LYS 16 -9.004 -0.594 -0.430 120 HD2 LYS 16 HD2 LYS 16 -9.276 -2.229 -2.961 121 HD3 LYS 16 HD1 LYS 16 -9.773 -2.741 -1.349 122 HE2 LYS 16 HE2 LYS 16 -11.374 -0.905 -1.249 123 HE3 LYS 16 HE1 LYS 16 -10.835 -0.343 -2.824 124 HZ1 LYS 16 HZ1 LYS 16 -12.171 -2.939 -2.267 125 HZ2 LYS 16 HZ2 LYS 16 -11.632 -2.428 -3.775 126 HZ3 LYS 16 HZ3 LYS 16 -12.865 -1.600 -3.006 127 H GLU 17 HN GLU 17 -8.149 3.120 -2.992 128 HA GLU 17 HA GLU 17 -6.315 3.111 -5.055 129 HB2 GLU 17 HB2 GLU 17 -8.378 5.092 -4.265 130 HB3 GLU 17 HB1 GLU 17 -7.262 5.413 -5.595 131 HG2 GLU 17 HG2 GLU 17 -7.935 3.386 -6.705 132 HG3 GLU 17 HG1 GLU 17 -8.986 2.978 -5.355 133 H GLN 18 HN GLN 18 -5.961 4.679 -1.901 134 HA GLN 18 HA GLN 18 -3.964 6.377 -2.851 135 HB2 GLN 18 HB2 GLN 18 -3.527 7.046 -0.592 136 HB3 GLN 18 HB1 GLN 18 -5.230 6.624 -0.659 137 HG2 GLN 18 HG2 GLN 18 -4.780 4.516 0.399 138 HG3 GLN 18 HG1 GLN 18 -3.062 4.901 0.438 139 HE21 GLN 18 HE21 GLN 18 -3.530 7.729 1.067 140 HE22 GLN 18 HE22 GLN 18 -3.969 7.758 2.730 141 H LEU 19 HN LEU 19 -3.943 3.353 -1.328 142 HA LEU 19 HA LEU 19 -1.204 2.847 -1.304 143 HB2 LEU 19 HB2 LEU 19 -3.705 1.349 -1.136 144 HB3 LEU 19 HB1 LEU 19 -2.242 0.447 -1.354 145 HG LEU 19 HG LEU 19 -2.759 2.414 0.906 146 HD11 LEU 19 HD11 LEU 19 -2.964 -0.578 0.868 147 HD12 LEU 19 HD12 LEU 19 -4.283 0.585 1.073 148 HD13 LEU 19 HD13 LEU 19 -3.041 0.430 2.314 149 HD21 LEU 19 HD21 LEU 19 -0.826 1.338 1.969 150 HD22 LEU 19 HD22 LEU 19 -0.384 2.089 0.443 151 HD23 LEU 19 HD23 LEU 19 -0.596 0.341 0.534 152 H THR 20 HN THR 20 -3.729 2.068 -3.617 153 HA THR 20 HA THR 20 -2.189 0.573 -5.370 154 HB THR 20 HB THR 20 -4.674 2.195 -5.678 155 HG1 THR 20 HG1 THR 20 -4.186 -0.181 -4.828 156 HG21 THR 20 HG21 THR 20 -3.320 0.644 -7.909 157 HG22 THR 20 HG22 THR 20 -3.624 2.390 -7.822 158 HG23 THR 20 HG23 THR 20 -4.978 1.274 -7.972 159 H GLU 21 HN GLU 21 -2.897 4.089 -5.372 160 HA GLU 21 HA GLU 21 -1.587 4.702 -7.750 161 HB2 GLU 21 HB2 GLU 21 -3.191 6.037 -6.615 162 HB3 GLU 21 HB1 GLU 21 -2.134 6.267 -5.232 163 HG2 GLU 21 HG2 GLU 21 -2.002 8.295 -6.436 164 HG3 GLU 21 HG1 GLU 21 -0.533 7.424 -6.853 165 H SER 22 HN SER 22 -0.593 4.633 -4.444 166 HA SER 22 HA SER 22 2.018 5.675 -4.689 167 HB2 SER 22 HB2 SER 22 0.979 3.757 -2.578 168 HB3 SER 22 HB1 SER 22 2.398 4.795 -2.435 169 HG SER 22 HG SER 22 -0.337 5.518 -2.503 170 H GLY 23 HN GLY 23 0.867 2.363 -4.503 171 HA2 GLY 23 HA2 GLY 23 3.347 1.014 -4.838 172 HA3 GLY 23 HA1 GLY 23 1.762 0.350 -5.183 173 H LYS 24 HN LYS 24 0.983 2.214 -7.148 174 HA LYS 24 HA LYS 24 2.075 1.040 -9.451 175 HB2 LYS 24 HB2 LYS 24 0.440 3.517 -9.055 176 HB3 LYS 24 HB1 LYS 24 0.842 2.862 -10.636 177 HG2 LYS 24 HG2 LYS 24 -0.488 1.210 -8.548 178 HG3 LYS 24 HG1 LYS 24 -1.475 2.293 -9.481 179 HD2 LYS 24 HD2 LYS 24 0.264 -0.000 -10.514 180 HD3 LYS 24 HD1 LYS 24 -1.492 -0.020 -10.370 181 HE2 LYS 24 HE2 LYS 24 -1.590 1.856 -12.001 182 HE3 LYS 24 HE1 LYS 24 0.167 1.699 -12.177 183 HZ1 LYS 24 HZ1 LYS 24 -0.190 -0.563 -13.031 184 HZ2 LYS 24 HZ2 LYS 24 -0.917 0.630 -13.951 185 HZ3 LYS 24 HZ3 LYS 24 -1.871 -0.313 -12.962 186 H LYS 25 HN LYS 25 2.855 4.003 -7.729 187 HA LYS 25 HA LYS 25 4.547 5.104 -9.712 188 HB2 LYS 25 HB2 LYS 25 4.519 5.507 -6.732 189 HB3 LYS 25 HB1 LYS 25 5.331 6.557 -7.888 190 HG2 LYS 25 HG2 LYS 25 3.087 7.030 -8.862 191 HG3 LYS 25 HG1 LYS 25 2.382 6.104 -7.536 192 HD2 LYS 25 HD2 LYS 25 2.268 8.382 -6.920 193 HD3 LYS 25 HD1 LYS 25 3.552 7.651 -5.966 194 HE2 LYS 25 HE2 LYS 25 4.210 9.868 -6.860 195 HE3 LYS 25 HE1 LYS 25 5.247 8.578 -7.450 196 HZ1 LYS 25 HZ1 LYS 25 2.957 9.739 -8.967 197 HZ2 LYS 25 HZ2 LYS 25 4.053 8.611 -9.559 198 HZ3 LYS 25 HZ3 LYS 25 4.564 10.167 -9.184 199 H ARG 26 HN ARG 26 4.952 3.136 -6.914 200 HA ARG 26 HA ARG 26 7.829 3.260 -6.941 201 HB2 ARG 26 HB2 ARG 26 6.030 1.431 -5.359 202 HB3 ARG 26 HB1 ARG 26 7.743 1.685 -5.089 203 HG2 ARG 26 HG2 ARG 26 7.310 4.007 -4.491 204 HG3 ARG 26 HG1 ARG 26 5.589 3.755 -4.787 205 HD2 ARG 26 HD2 ARG 26 5.932 3.532 -2.422 206 HD3 ARG 26 HD1 ARG 26 5.639 1.934 -3.113 207 HE ARG 26 HE ARG 26 8.425 2.506 -2.939 208 HH11 ARG 26 HH11 ARG 26 5.650 1.407 -1.057 209 HH12 ARG 26 HH12 ARG 26 6.546 0.626 0.122 210 HH21 ARG 26 HH21 ARG 26 9.694 1.471 -1.388 211 HH22 ARG 26 HH22 ARG 26 8.975 0.669 -0.037 212 H GLY 27 HN GLY 27 5.395 0.848 -7.612 213 HA2 GLY 27 HA2 GLY 27 5.523 -0.863 -9.148 214 HA3 GLY 27 HA1 GLY 27 7.295 -0.799 -9.079 215 H VAL 28 HN VAL 28 5.808 -0.393 -6.089 216 HA VAL 28 HA VAL 28 5.717 -3.122 -5.267 217 HB VAL 28 HB VAL 28 8.141 -2.590 -5.665 218 HG11 VAL 28 HG11 VAL 28 8.231 -0.347 -4.839 219 HG12 VAL 28 HG12 VAL 28 9.361 -1.376 -3.952 220 HG13 VAL 28 HG13 VAL 28 7.827 -0.910 -3.213 221 HG21 VAL 28 HG21 VAL 28 8.877 -3.706 -3.618 222 HG22 VAL 28 HG22 VAL 28 7.457 -4.435 -4.404 223 HG23 VAL 28 HG23 VAL 28 7.249 -3.418 -2.972 224 H LEU 29 HN LEU 29 5.173 -3.358 -3.164 225 HA LEU 29 HA LEU 29 4.910 -1.103 -1.394 226 HB2 LEU 29 HB2 LEU 29 2.640 -2.799 -2.369 227 HB3 LEU 29 HB1 LEU 29 2.561 -2.021 -0.818 228 HG LEU 29 HG LEU 29 2.779 -0.617 -3.486 229 HD11 LEU 29 HD11 LEU 29 0.632 -1.762 -3.153 230 HD12 LEU 29 HD12 LEU 29 0.450 -0.008 -3.104 231 HD13 LEU 29 HD13 LEU 29 0.448 -0.938 -1.604 232 HD21 LEU 29 HD21 LEU 29 3.756 0.681 -1.641 233 HD22 LEU 29 HD22 LEU 29 2.250 0.477 -0.731 234 HD23 LEU 29 HD23 LEU 29 2.253 1.399 -2.228 235 H THR 30 HN THR 30 5.436 -1.882 0.656 236 HA THR 30 HA THR 30 5.842 -4.681 1.049 237 HB THR 30 HB THR 30 6.130 -4.060 3.487 238 HG1 THR 30 HG1 THR 30 5.645 -1.459 2.468 239 HG21 THR 30 HG21 THR 30 8.073 -4.233 2.191 240 HG22 THR 30 HG22 THR 30 8.231 -2.756 3.146 241 HG23 THR 30 HG23 THR 30 7.810 -2.665 1.424 242 H TYR 31 HN TYR 31 4.550 -6.102 2.265 243 HA TYR 31 HA TYR 31 1.751 -5.821 2.193 244 HB2 TYR 31 HB2 TYR 31 3.399 -7.569 4.030 245 HB3 TYR 31 HB1 TYR 31 1.656 -7.665 3.904 246 HD1 TYR 31 HD1 TYR 31 4.692 -8.986 2.783 247 HD2 TYR 31 HD2 TYR 31 0.769 -8.090 1.452 248 HE1 TYR 31 HE1 TYR 31 4.943 -10.624 0.970 249 HE2 TYR 31 HE2 TYR 31 0.999 -9.721 -0.369 250 HH TYR 31 HH TYR 31 3.476 -11.999 -0.450 251 H GLU 32 HN GLU 32 4.021 -5.017 4.678 252 HA GLU 32 HA GLU 32 2.060 -4.596 6.651 253 HB2 GLU 32 HB2 GLU 32 4.983 -3.909 6.627 254 HB3 GLU 32 HB1 GLU 32 3.931 -3.749 8.035 255 HG2 GLU 32 HG2 GLU 32 3.386 -6.141 7.882 256 HG3 GLU 32 HG1 GLU 32 4.480 -6.286 6.518 257 H GLU 33 HN GLU 33 3.449 -2.408 4.280 258 HA GLU 33 HA GLU 33 2.430 -0.115 5.721 259 HB2 GLU 33 HB2 GLU 33 3.138 1.238 3.842 260 HB3 GLU 33 HB1 GLU 33 4.413 0.085 4.183 261 HG2 GLU 33 HG2 GLU 33 3.510 -1.328 2.329 262 HG3 GLU 33 HG1 GLU 33 2.411 0.002 1.961 263 H ILE 34 HN ILE 34 1.409 -2.336 3.328 264 HA ILE 34 HA ILE 34 -0.880 -0.994 2.388 265 HB ILE 34 HB ILE 34 -0.303 -3.970 2.534 266 HG12 ILE 34 HG12 ILE 34 -0.037 -2.024 0.245 267 HG13 ILE 34 HG11 ILE 34 1.302 -2.616 1.222 268 HG21 ILE 34 HG21 ILE 34 -2.388 -2.449 0.996 269 HG22 ILE 34 HG22 ILE 34 -2.680 -3.591 2.309 270 HG23 ILE 34 HG23 ILE 34 -2.028 -4.156 0.765 271 HD11 ILE 34 HD11 ILE 34 -0.492 -4.298 -0.509 272 HD12 ILE 34 HD12 ILE 34 0.884 -4.879 0.436 273 HD13 ILE 34 HD13 ILE 34 1.136 -3.751 -0.899 274 H ALA 35 HN ALA 35 -0.299 -3.224 5.109 275 HA ALA 35 HA ALA 35 -2.968 -3.456 5.914 276 HB1 ALA 35 HB1 ALA 35 -2.000 -4.422 7.942 277 HB2 ALA 35 HB2 ALA 35 -0.395 -3.896 7.425 278 HB3 ALA 35 HB3 ALA 35 -1.273 -5.106 6.488 279 H GLU 36 HN GLU 36 -0.422 -1.144 6.390 280 HA GLU 36 HA GLU 36 -1.185 -0.184 8.893 281 HB2 GLU 36 HB2 GLU 36 1.081 0.050 7.934 282 HB3 GLU 36 HB1 GLU 36 0.447 1.216 6.782 283 HG2 GLU 36 HG2 GLU 36 -0.133 2.719 8.585 284 HG3 GLU 36 HG1 GLU 36 0.386 1.522 9.771 285 H ARG 37 HN ARG 37 -1.994 1.037 5.567 286 HA ARG 37 HA ARG 37 -3.428 3.255 6.581 287 HB2 ARG 37 HB2 ARG 37 -3.797 1.809 3.952 288 HB3 ARG 37 HB1 ARG 37 -4.331 3.434 4.331 289 HG2 ARG 37 HG2 ARG 37 -1.501 2.487 4.109 290 HG3 ARG 37 HG1 ARG 37 -2.376 3.443 2.914 291 HD2 ARG 37 HD2 ARG 37 -2.543 5.290 4.448 292 HD3 ARG 37 HD1 ARG 37 -1.809 4.320 5.734 293 HE ARG 37 HE ARG 37 -0.475 5.271 3.305 294 HH11 ARG 37 HH11 ARG 37 -0.339 4.277 6.695 295 HH12 ARG 37 HH12 ARG 37 1.343 4.285 6.835 296 HH21 ARG 37 HH21 ARG 37 1.875 5.392 3.464 297 HH22 ARG 37 HH22 ARG 37 2.654 5.012 4.928 298 H MET 38 HN MET 38 -4.109 -0.080 6.208 299 HA MET 38 HA MET 38 -6.963 0.260 6.065 300 HB2 MET 38 HB2 MET 38 -5.377 -2.303 6.376 301 HB3 MET 38 HB1 MET 38 -7.093 -2.175 6.094 302 HG2 MET 38 HG2 MET 38 -4.966 -1.214 4.209 303 HG3 MET 38 HG1 MET 38 -5.877 -2.719 4.057 304 HE1 MET 38 HE1 MET 38 -5.630 -0.711 1.715 305 HE2 MET 38 HE2 MET 38 -7.299 -0.581 1.147 306 HE3 MET 38 HE3 MET 38 -6.647 -2.148 1.613 307 H SER 39 HN SER 39 -4.879 0.576 8.576 308 HA SER 39 HA SER 39 -6.267 -0.896 10.585 309 HB2 SER 39 HB2 SER 39 -4.972 0.555 12.176 310 HB3 SER 39 HB1 SER 39 -3.956 -0.250 10.982 311 HG SER 39 HG SER 39 -3.557 1.634 10.018 312 H SER 40 HN SER 40 -6.889 1.926 8.885 313 HA SER 40 HA SER 40 -8.526 3.382 10.634 314 HB2 SER 40 HB2 SER 40 -8.814 3.134 7.642 315 HB3 SER 40 HB1 SER 40 -9.181 4.536 8.648 316 HG SER 40 HG SER 40 -6.800 3.735 7.566 317 H PHE 41 HN PHE 41 -8.972 0.545 8.666 318 HA PHE 41 HA PHE 41 -11.862 0.345 9.277 319 HB2 PHE 41 HB2 PHE 41 -10.305 -1.063 7.127 320 HB3 PHE 41 HB1 PHE 41 -12.042 -0.879 7.157 321 HD1 PHE 41 HD1 PHE 41 -9.040 0.216 5.840 322 HD2 PHE 41 HD2 PHE 41 -12.823 1.679 7.094 323 HE1 PHE 41 HE1 PHE 41 -8.675 2.228 4.526 324 HE2 PHE 41 HE2 PHE 41 -12.472 3.715 5.758 325 HZ PHE 41 HZ PHE 41 -10.372 3.986 4.486 326 H GLU 42 HN GLU 42 -12.309 -2.248 8.922 327 HA GLU 42 HA GLU 42 -10.295 -3.739 10.432 328 HB2 GLU 42 HB2 GLU 42 -13.287 -4.187 10.312 329 HB3 GLU 42 HB1 GLU 42 -12.152 -5.266 11.101 330 HG2 GLU 42 HG2 GLU 42 -11.572 -3.408 12.644 331 HG3 GLU 42 HG1 GLU 42 -12.839 -2.445 11.886 332 H ILE 43 HN ILE 43 -9.241 -4.208 8.503 333 HA ILE 43 HA ILE 43 -10.802 -5.574 6.447 334 HB ILE 43 HB ILE 43 -7.963 -4.534 6.344 335 HG12 ILE 43 HG12 ILE 43 -9.553 -2.774 6.600 336 HG13 ILE 43 HG11 ILE 43 -8.898 -2.758 4.967 337 HG21 ILE 43 HG21 ILE 43 -9.708 -5.537 4.126 338 HG22 ILE 43 HG22 ILE 43 -8.331 -6.396 4.808 339 HG23 ILE 43 HG23 ILE 43 -8.087 -4.863 3.959 340 HD11 ILE 43 HD11 ILE 43 -11.593 -3.797 5.832 341 HD12 ILE 43 HD12 ILE 43 -10.884 -3.947 4.213 342 HD13 ILE 43 HD13 ILE 43 -11.244 -2.343 4.867 343 H GLU 44 HN GLU 44 -10.767 -7.484 6.188 344 HA GLU 44 HA GLU 44 -9.496 -9.282 8.011 345 HB2 GLU 44 HB2 GLU 44 -11.267 -9.836 5.633 346 HB3 GLU 44 HB1 GLU 44 -10.897 -10.948 6.951 347 HG2 GLU 44 HG2 GLU 44 -12.109 -9.716 8.503 348 HG3 GLU 44 HG1 GLU 44 -12.121 -8.287 7.479 349 H SER 45 HN SER 45 -8.515 -11.367 7.080 350 HA SER 45 HA SER 45 -6.220 -10.667 5.606 351 HB2 SER 45 HB2 SER 45 -6.292 -12.464 7.368 352 HB3 SER 45 HB1 SER 45 -7.239 -13.453 6.262 353 HG SER 45 HG SER 45 -5.283 -14.128 5.841 354 H ASP 46 HN ASP 46 -9.280 -12.143 4.769 355 HA ASP 46 HA ASP 46 -8.443 -13.025 2.165 356 HB2 ASP 46 HB2 ASP 46 -11.156 -12.616 3.386 357 HB3 ASP 46 HB1 ASP 46 -10.964 -13.139 1.716 358 H GLN 47 HN GLN 47 -9.917 -10.284 3.506 359 HA GLN 47 HA GLN 47 -10.594 -8.840 1.182 360 HB2 GLN 47 HB2 GLN 47 -9.835 -7.965 3.954 361 HB3 GLN 47 HB1 GLN 47 -10.589 -6.930 2.747 362 HG2 GLN 47 HG2 GLN 47 -11.865 -9.492 3.467 363 HG3 GLN 47 HG1 GLN 47 -12.010 -8.167 4.600 364 HE21 GLN 47 HE21 GLN 47 -12.057 -6.165 2.420 365 HE22 GLN 47 HE22 GLN 47 -13.592 -6.322 1.678 366 H MET 48 HN MET 48 -7.746 -8.817 3.323 367 HA MET 48 HA MET 48 -6.291 -6.996 1.871 368 HB2 MET 48 HB2 MET 48 -5.460 -9.108 3.822 369 HB3 MET 48 HB1 MET 48 -4.237 -8.234 2.930 370 HG2 MET 48 HG2 MET 48 -6.321 -6.800 4.529 371 HG3 MET 48 HG1 MET 48 -4.860 -7.437 5.272 372 HE1 MET 48 HE1 MET 48 -6.351 -4.851 2.694 373 HE2 MET 48 HE2 MET 48 -5.111 -5.521 1.606 374 HE3 MET 48 HE3 MET 48 -4.942 -3.906 2.250 375 H ASP 49 HN ASP 49 -6.288 -10.563 1.716 376 HA ASP 49 HA ASP 49 -4.200 -10.792 -0.183 377 HB2 ASP 49 HB2 ASP 49 -4.974 -12.687 1.209 378 HB3 ASP 49 HB1 ASP 49 -6.455 -12.750 0.268 379 H GLU 50 HN GLU 50 -7.660 -10.494 -0.625 380 HA GLU 50 HA GLU 50 -7.595 -10.894 -3.368 381 HB2 GLU 50 HB2 GLU 50 -9.675 -10.883 -2.027 382 HB3 GLU 50 HB1 GLU 50 -9.493 -9.151 -1.784 383 HG2 GLU 50 HG2 GLU 50 -9.796 -8.762 -4.158 384 HG3 GLU 50 HG1 GLU 50 -9.928 -10.496 -4.439 385 H TYR 51 HN TYR 51 -7.046 -8.083 -1.351 386 HA TYR 51 HA TYR 51 -6.850 -6.209 -3.470 387 HB2 TYR 51 HB2 TYR 51 -7.302 -5.514 -1.125 388 HB3 TYR 51 HB1 TYR 51 -5.683 -6.033 -0.684 389 HD1 TYR 51 HD1 TYR 51 -6.929 -4.031 -3.621 390 HD2 TYR 51 HD2 TYR 51 -4.439 -4.171 -0.158 391 HE1 TYR 51 HE1 TYR 51 -6.030 -1.836 -4.172 392 HE2 TYR 51 HE2 TYR 51 -3.531 -1.957 -0.744 393 HH TYR 51 HH TYR 51 -4.899 0.060 -3.030 394 H TYR 52 HN TYR 52 -4.568 -8.357 -1.837 395 HA TYR 52 HA TYR 52 -2.236 -7.272 -2.960 396 HB2 TYR 52 HB2 TYR 52 -2.734 -10.119 -2.033 397 HB3 TYR 52 HB1 TYR 52 -1.156 -9.471 -2.449 398 HD1 TYR 52 HD1 TYR 52 -1.485 -6.737 -1.168 399 HD2 TYR 52 HD2 TYR 52 -2.372 -10.644 0.269 400 HE1 TYR 52 HE1 TYR 52 -1.223 -5.951 1.083 401 HE2 TYR 52 HE2 TYR 52 -2.139 -9.853 2.566 402 HH TYR 52 HH TYR 52 -2.077 -6.611 3.393 403 H GLU 53 HN GLU 53 -4.379 -9.849 -4.043 404 HA GLU 53 HA GLU 53 -3.055 -10.438 -6.417 405 HB2 GLU 53 HB2 GLU 53 -4.871 -11.770 -5.410 406 HB3 GLU 53 HB1 GLU 53 -6.011 -10.493 -5.802 407 HG2 GLU 53 HG2 GLU 53 -6.202 -12.276 -7.392 408 HG3 GLU 53 HG1 GLU 53 -5.532 -10.854 -8.193 409 H PHE 54 HN PHE 54 -5.603 -8.082 -5.667 410 HA PHE 54 HA PHE 54 -6.067 -7.071 -8.214 411 HB2 PHE 54 HB2 PHE 54 -7.589 -6.478 -6.496 412 HB3 PHE 54 HB1 PHE 54 -6.300 -5.854 -5.474 413 HD1 PHE 54 HD1 PHE 54 -8.294 -5.179 -8.495 414 HD2 PHE 54 HD2 PHE 54 -5.563 -3.691 -5.635 415 HE1 PHE 54 HE1 PHE 54 -8.649 -2.885 -9.352 416 HE2 PHE 54 HE2 PHE 54 -5.896 -1.408 -6.464 417 HZ PHE 54 HZ PHE 54 -7.406 -0.995 -8.294 418 H LEU 55 HN LEU 55 -3.845 -5.842 -5.746 419 HA LEU 55 HA LEU 55 -2.706 -3.789 -7.196 420 HB2 LEU 55 HB2 LEU 55 -1.560 -5.519 -5.031 421 HB3 LEU 55 HB1 LEU 55 -0.679 -4.167 -5.704 422 HG LEU 55 HG LEU 55 -3.378 -3.904 -4.396 423 HD11 LEU 55 HD11 LEU 55 -1.689 -4.712 -2.814 424 HD12 LEU 55 HD12 LEU 55 -2.155 -3.042 -2.486 425 HD13 LEU 55 HD13 LEU 55 -0.622 -3.391 -3.289 426 HD21 LEU 55 HD21 LEU 55 -2.830 -2.130 -5.986 427 HD22 LEU 55 HD22 LEU 55 -1.275 -1.892 -5.190 428 HD23 LEU 55 HD23 LEU 55 -2.773 -1.543 -4.328 429 H GLY 56 HN GLY 56 -1.803 -7.167 -6.992 430 HA2 GLY 56 HA2 GLY 56 0.509 -7.109 -8.582 431 HA3 GLY 56 HA1 GLY 56 -0.521 -8.520 -8.327 432 H GLU 57 HN GLU 57 -2.900 -7.579 -9.435 433 HA GLU 57 HA GLU 57 -2.551 -8.011 -12.131 434 HB2 GLU 57 HB2 GLU 57 -4.807 -6.719 -10.627 435 HB3 GLU 57 HB1 GLU 57 -4.892 -7.243 -12.301 436 HG2 GLU 57 HG2 GLU 57 -4.469 -9.574 -11.529 437 HG3 GLU 57 HG1 GLU 57 -4.534 -8.985 -9.869 438 H GLN 58 HN GLN 58 -2.744 -5.010 -10.268 439 HA GLN 58 HA GLN 58 -2.935 -3.331 -12.564 440 HB2 GLN 58 HB2 GLN 58 -2.064 -2.523 -9.780 441 HB3 GLN 58 HB1 GLN 58 -2.649 -1.462 -11.044 442 HG2 GLN 58 HG2 GLN 58 -4.223 -3.506 -9.496 443 HG3 GLN 58 HG1 GLN 58 -4.376 -1.757 -9.423 444 HE21 GLN 58 HE21 GLN 58 -5.187 -4.624 -11.108 445 HE22 GLN 58 HE22 GLN 58 -6.280 -3.910 -12.240 446 H GLY 59 HN GLY 59 -0.311 -3.988 -10.271 447 HA2 GLY 59 HA2 GLY 59 1.785 -4.547 -11.736 448 HA3 GLY 59 HA1 GLY 59 1.589 -2.863 -12.209 449 H VAL 60 HN VAL 60 1.432 -4.644 -9.155 450 HA VAL 60 HA VAL 60 3.580 -2.969 -8.032 451 HB VAL 60 HB VAL 60 1.031 -3.661 -6.554 452 HG11 VAL 60 HG11 VAL 60 3.285 -1.826 -5.858 453 HG12 VAL 60 HG12 VAL 60 2.948 -3.407 -5.160 454 HG13 VAL 60 HG13 VAL 60 1.825 -2.066 -4.897 455 HG21 VAL 60 HG21 VAL 60 0.378 -1.276 -6.686 456 HG22 VAL 60 HG22 VAL 60 0.414 -2.043 -8.276 457 HG23 VAL 60 HG23 VAL 60 1.736 -0.991 -7.774 458 H GLU 61 HN GLU 61 5.018 -4.259 -7.040 459 HA GLU 61 HA GLU 61 4.272 -7.020 -6.520 460 HB2 GLU 61 HB2 GLU 61 6.865 -5.526 -6.340 461 HB3 GLU 61 HB1 GLU 61 6.706 -7.236 -5.923 462 HG2 GLU 61 HG2 GLU 61 5.966 -7.675 -8.168 463 HG3 GLU 61 HG1 GLU 61 6.180 -5.978 -8.596 464 H LEU 62 HN LEU 62 3.806 -7.712 -4.489 465 HA LEU 62 HA LEU 62 4.093 -5.719 -2.407 466 HB2 LEU 62 HB2 LEU 62 2.715 -8.380 -2.157 467 HB3 LEU 62 HB1 LEU 62 2.612 -7.019 -1.074 468 HG LEU 62 HG LEU 62 0.643 -6.845 -2.053 469 HD11 LEU 62 HD11 LEU 62 2.231 -5.315 -4.051 470 HD12 LEU 62 HD12 LEU 62 1.671 -4.755 -2.482 471 HD13 LEU 62 HD13 LEU 62 0.502 -5.148 -3.745 472 HD21 LEU 62 HD21 LEU 62 0.052 -7.441 -4.329 473 HD22 LEU 62 HD22 LEU 62 0.734 -8.755 -3.389 474 HD23 LEU 62 HD23 LEU 62 1.727 -7.949 -4.628 475 H ILE 63 HN ILE 63 6.010 -5.759 -1.608 476 HA ILE 63 HA ILE 63 7.370 -8.287 -1.136 477 HB ILE 63 HB ILE 63 9.268 -6.896 -0.367 478 HG12 ILE 63 HG12 ILE 63 7.542 -4.574 -1.236 479 HG13 ILE 63 HG11 ILE 63 7.972 -4.969 0.420 480 HG21 ILE 63 HG21 ILE 63 9.115 -7.621 -2.671 481 HG22 ILE 63 HG22 ILE 63 9.835 -6.000 -2.554 482 HG23 ILE 63 HG23 ILE 63 8.144 -6.180 -3.035 483 HD11 ILE 63 HD11 ILE 63 9.305 -3.118 -0.497 484 HD12 ILE 63 HD12 ILE 63 9.942 -4.210 -1.735 485 HD13 ILE 63 HD13 ILE 63 10.293 -4.498 -0.030 486 H SER 64 HN SER 64 8.565 -8.378 1.033 487 HA SER 64 HA SER 64 6.597 -8.520 3.053 488 HB2 SER 64 HB2 SER 64 8.434 -10.099 2.893 489 HB3 SER 64 HB1 SER 64 9.603 -8.830 3.190 490 HG SER 64 HG SER 64 8.672 -10.312 4.961 491 H GLU 65 HN GLU 65 9.596 -7.082 3.743 492 HA GLU 65 HA GLU 65 9.230 -4.389 3.991 493 HB2 GLU 65 HB2 GLU 65 7.435 -4.982 5.682 494 HB3 GLU 65 HB1 GLU 65 8.699 -5.707 6.681 495 HG2 GLU 65 HG2 GLU 65 9.840 -3.426 6.580 496 HG3 GLU 65 HG1 GLU 65 8.324 -2.822 5.932 497 H ASN 66 HN ASN 66 10.405 -7.378 5.322 498 HA ASN 66 HA ASN 66 12.900 -6.535 6.301 499 HB2 ASN 66 HB2 ASN 66 11.935 -9.173 5.189 500 HB3 ASN 66 HB1 ASN 66 13.500 -8.950 5.951 501 HD21 ASN 66 HD21 ASN 66 13.600 -8.778 8.178 502 HD22 ASN 66 HD22 ASN 66 12.235 -9.096 9.185 503 H GLU 67 HN GLU 67 11.711 -6.355 3.278 504 HA GLU 67 HA GLU 67 14.325 -6.302 2.035 505 HB2 GLU 67 HB2 GLU 67 13.372 -7.317 0.056 506 HB3 GLU 67 HB1 GLU 67 13.175 -8.410 1.430 507 HG2 GLU 67 HG2 GLU 67 10.831 -7.563 1.609 508 HG3 GLU 67 HG1 GLU 67 11.166 -6.611 0.158 509 H GLU 68 HN GLU 68 14.325 -4.768 0.393 510 HA GLU 68 HA GLU 68 12.294 -3.268 -0.680 511 HB2 GLU 68 HB2 GLU 68 12.013 -2.689 1.839 512 HB3 GLU 68 HB1 GLU 68 13.472 -1.731 1.686 513 HG2 GLU 68 HG2 GLU 68 10.834 -1.306 0.278 514 HG3 GLU 68 HG1 GLU 68 11.455 -0.356 1.617 515 H THR 69 HN THR 69 13.355 -1.584 -2.000 516 HA THR 69 HA THR 69 15.888 -0.621 -1.401 517 HB THR 69 HB THR 69 16.657 -2.928 -2.038 518 HG1 THR 69 HG1 THR 69 17.510 -0.649 -3.423 519 HG21 THR 69 HG21 THR 69 15.705 -2.149 -4.798 520 HG22 THR 69 HG22 THR 69 14.968 -3.373 -3.769 521 HG23 THR 69 HG23 THR 69 16.605 -3.612 -4.393 522 H GLU 70 HN GLU 70 13.313 0.278 -2.510 523 HA GLU 70 HA GLU 70 14.675 1.940 -4.480 524 HB2 GLU 70 HB2 GLU 70 12.512 2.270 -5.619 525 HB3 GLU 70 HB1 GLU 70 12.993 0.584 -5.599 526 HG2 GLU 70 HG2 GLU 70 10.818 0.330 -5.015 527 HG3 GLU 70 HG1 GLU 70 11.618 0.568 -3.447 528 H ASP 71 HN ASP 71 13.232 1.747 -1.500 529 HA ASP 71 HA ASP 71 12.631 4.606 -1.504 530 HB2 ASP 71 HB2 ASP 71 10.866 3.086 -0.669 531 HB3 ASP 71 HB1 ASP 71 11.945 2.546 0.605 532 H LEU 72 HN LEU 72 14.795 2.401 -0.687 533 HA LEU 72 HA LEU 72 16.242 3.704 1.403 534 HB2 LEU 72 HB2 LEU 72 17.312 1.912 -0.788 535 HB3 LEU 72 HB1 LEU 72 18.192 2.367 0.655 536 HG LEU 72 HG LEU 72 15.703 0.650 0.564 537 HD11 LEU 72 HD11 LEU 72 17.714 -0.466 -0.277 538 HD12 LEU 72 HD12 LEU 72 17.173 -1.142 1.257 539 HD13 LEU 72 HD13 LEU 72 18.557 -0.052 1.217 540 HD21 LEU 72 HD21 LEU 72 16.121 0.286 2.957 541 HD22 LEU 72 HD22 LEU 72 15.772 1.979 2.613 542 HD23 LEU 72 HD23 LEU 72 17.432 1.461 2.905 543 H GLU 73 HN GLU 73 15.797 4.317 -1.887 544 HA GLU 73 HA GLU 73 18.013 6.181 -2.143 545 HB2 GLU 73 HB2 GLU 73 15.762 5.426 -4.015 546 HB3 GLU 73 HB1 GLU 73 17.053 6.554 -4.414 547 HG2 GLU 73 HG2 GLU 73 17.409 3.652 -3.722 548 HG3 GLU 73 HG1 GLU 73 17.433 4.328 -5.350 549 H HIS 74 HN HIS 74 14.880 6.150 -0.910 550 HA HIS 74 HA HIS 74 14.418 8.884 -1.633 551 HB2 HIS 74 HB2 HIS 74 12.580 6.755 -0.715 552 HB3 HIS 74 HB1 HIS 74 12.185 8.421 -0.306 553 HD1 HIS 74 HD1 HIS 74 11.367 9.938 -2.161 554 HD2 HIS 74 HD2 HIS 74 12.654 6.219 -3.495 555 HE1 HIS 74 HE1 HIS 74 10.657 9.773 -4.581 556 H HIS 75 HN HIS 75 15.788 9.891 -0.566 557 HA HIS 75 HA HIS 75 15.424 10.111 2.320 558 HB2 HIS 75 HB2 HIS 75 17.384 11.737 2.093 559 HB3 HIS 75 HB1 HIS 75 17.766 10.058 1.743 560 HD1 HIS 75 HD1 HIS 75 18.658 9.570 -0.628 561 HD2 HIS 75 HD2 HIS 75 17.328 13.474 -0.131 562 HE1 HIS 75 HE1 HIS 75 19.373 10.823 -2.694 563 H HIS 76 HN HIS 76 13.745 10.924 -0.087 564 HA HIS 76 HA HIS 76 12.944 13.462 0.900 565 HB2 HIS 76 HB2 HIS 76 12.690 14.317 -1.508 566 HB3 HIS 76 HB1 HIS 76 14.311 14.298 -0.843 567 HD1 HIS 76 HD1 HIS 76 16.027 13.403 -2.429 568 HD2 HIS 76 HD2 HIS 76 12.239 11.914 -3.252 569 HE1 HIS 76 HE1 HIS 76 16.270 11.997 -4.487 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -15.033 6.007 -2.796 2 H2 ALA 1 HT2 ALA 1 -16.059 4.715 -2.412 3 H3 ALA 1 HT3 ALA 1 -16.726 6.151 -2.998 4 HA ALA 1 HA ALA 1 -14.955 4.223 -4.375 5 HB1 ALA 1 HB1 ALA 1 -16.851 3.763 -5.822 6 HB2 ALA 1 HB2 ALA 1 -17.830 4.940 -4.947 7 HB3 ALA 1 HB3 ALA 1 -17.275 3.478 -4.136 8 H ASP 2 HN ASP 2 -15.700 7.512 -4.127 9 HA ASP 2 HA ASP 2 -14.571 7.933 -6.793 10 HB2 ASP 2 HB2 ASP 2 -16.973 8.603 -6.694 11 HB3 ASP 2 HB1 ASP 2 -16.575 9.726 -5.402 12 H LYS 3 HN LYS 3 -15.246 9.777 -3.798 13 HA LYS 3 HA LYS 3 -12.397 10.390 -3.592 14 HB2 LYS 3 HB2 LYS 3 -14.609 12.446 -3.405 15 HB3 LYS 3 HB1 LYS 3 -12.931 12.747 -2.986 16 HG2 LYS 3 HG2 LYS 3 -12.291 12.230 -5.299 17 HG3 LYS 3 HG1 LYS 3 -13.992 12.012 -5.697 18 HD2 LYS 3 HD2 LYS 3 -14.398 14.351 -4.998 19 HD3 LYS 3 HD1 LYS 3 -12.660 14.539 -4.749 20 HE2 LYS 3 HE2 LYS 3 -13.224 15.390 -6.930 21 HE3 LYS 3 HE1 LYS 3 -12.291 13.903 -7.110 22 HZ1 LYS 3 HZ1 LYS 3 -14.092 13.792 -8.626 23 HZ2 LYS 3 HZ2 LYS 3 -15.190 14.292 -7.484 24 HZ3 LYS 3 HZ3 LYS 3 -14.559 12.748 -7.375 25 H GLN 4 HN GLN 4 -12.035 11.581 -1.408 26 HA GLN 4 HA GLN 4 -13.027 9.782 0.623 27 HB2 GLN 4 HB2 GLN 4 -11.414 10.914 2.097 28 HB3 GLN 4 HB1 GLN 4 -10.658 10.349 0.613 29 HG2 GLN 4 HG2 GLN 4 -10.751 12.631 -0.274 30 HG3 GLN 4 HG1 GLN 4 -11.514 13.167 1.215 31 HE21 GLN 4 HE21 GLN 4 -9.873 11.563 2.961 32 HE22 GLN 4 HE22 GLN 4 -8.300 12.256 2.948 33 H THR 5 HN THR 5 -13.111 11.249 2.933 34 HA THR 5 HA THR 5 -15.612 12.614 2.643 35 HB THR 5 HB THR 5 -15.413 12.629 5.194 36 HG1 THR 5 HG1 THR 5 -13.641 10.660 5.403 37 HG21 THR 5 HG21 THR 5 -16.706 10.917 3.996 38 HG22 THR 5 HG22 THR 5 -15.882 10.217 5.391 39 HG23 THR 5 HG23 THR 5 -15.238 9.968 3.769 40 H HIS 6 HN HIS 6 -15.600 14.570 4.485 41 HA HIS 6 HA HIS 6 -13.990 16.550 3.219 42 HB2 HIS 6 HB2 HIS 6 -16.015 16.665 5.404 43 HB3 HIS 6 HB1 HIS 6 -14.963 18.049 5.135 44 HD1 HIS 6 HD1 HIS 6 -16.054 19.731 3.674 45 HD2 HIS 6 HD2 HIS 6 -17.190 15.861 2.695 46 HE1 HIS 6 HE1 HIS 6 -17.683 19.947 1.763 47 H GLU 7 HN GLU 7 -13.472 14.575 5.889 48 HA GLU 7 HA GLU 7 -11.431 16.295 7.021 49 HB2 GLU 7 HB2 GLU 7 -12.293 13.473 7.648 50 HB3 GLU 7 HB1 GLU 7 -11.012 14.318 8.501 51 HG2 GLU 7 HG2 GLU 7 -12.558 15.970 9.289 52 HG3 GLU 7 HG1 GLU 7 -13.862 15.249 8.348 53 H THR 8 HN THR 8 -9.410 14.498 7.590 54 HA THR 8 HA THR 8 -8.168 14.229 5.003 55 HB THR 8 HB THR 8 -6.193 13.554 6.442 56 HG1 THR 8 HG1 THR 8 -7.555 12.853 8.256 57 HG21 THR 8 HG21 THR 8 -7.523 16.195 7.095 58 HG22 THR 8 HG22 THR 8 -6.499 15.888 5.691 59 HG23 THR 8 HG23 THR 8 -5.814 15.828 7.316 60 H GLU 9 HN GLU 9 -10.268 12.476 6.357 61 HA GLU 9 HA GLU 9 -8.877 9.938 6.446 62 HB2 GLU 9 HB2 GLU 9 -11.663 10.726 7.100 63 HB3 GLU 9 HB1 GLU 9 -10.964 9.128 7.455 64 HG2 GLU 9 HG2 GLU 9 -10.410 11.810 8.717 65 HG3 GLU 9 HG1 GLU 9 -10.945 10.326 9.498 66 H LEU 10 HN LEU 10 -9.591 8.195 5.192 67 HA LEU 10 HA LEU 10 -11.097 9.038 2.830 68 HB2 LEU 10 HB2 LEU 10 -9.091 6.837 2.626 69 HB3 LEU 10 HB1 LEU 10 -9.693 7.952 1.425 70 HG LEU 10 HG LEU 10 -8.297 9.727 2.663 71 HD11 LEU 10 HD11 LEU 10 -7.770 8.457 4.608 72 HD12 LEU 10 HD12 LEU 10 -6.257 8.742 3.708 73 HD13 LEU 10 HD13 LEU 10 -7.086 7.176 3.624 74 HD21 LEU 10 HD21 LEU 10 -7.857 8.921 0.415 75 HD22 LEU 10 HD22 LEU 10 -7.043 7.503 1.079 76 HD23 LEU 10 HD23 LEU 10 -6.349 9.110 1.320 77 H THR 11 HN THR 11 -11.810 6.900 1.623 78 HA THR 11 HA THR 11 -13.068 5.252 3.678 79 HB THR 11 HB THR 11 -14.840 4.801 2.109 80 HG1 THR 11 HG1 THR 11 -14.433 4.552 0.105 81 HG21 THR 11 HG21 THR 11 -13.905 7.556 1.340 82 HG22 THR 11 HG22 THR 11 -14.866 7.202 2.786 83 HG23 THR 11 HG23 THR 11 -15.543 6.935 1.170 84 H PHE 12 HN PHE 12 -13.501 2.914 2.608 85 HA PHE 12 HA PHE 12 -10.938 1.774 2.566 86 HB2 PHE 12 HB2 PHE 12 -12.860 0.506 3.372 87 HB3 PHE 12 HB1 PHE 12 -13.599 0.566 1.777 88 HD1 PHE 12 HD1 PHE 12 -13.614 -1.501 0.801 89 HD2 PHE 12 HD2 PHE 12 -10.196 -0.317 3.013 90 HE1 PHE 12 HE1 PHE 12 -12.497 -3.631 0.214 91 HE2 PHE 12 HE2 PHE 12 -9.073 -2.422 2.433 92 HZ PHE 12 HZ PHE 12 -10.190 -4.080 1.060 93 H ASP 13 HN ASP 13 -13.231 2.483 0.158 94 HA ASP 13 HA ASP 13 -11.957 1.599 -2.186 95 HB2 ASP 13 HB2 ASP 13 -13.497 4.176 -1.970 96 HB3 ASP 13 HB1 ASP 13 -13.192 3.254 -3.430 97 H GLN 14 HN GLN 14 -11.610 4.486 -0.353 98 HA GLN 14 HA GLN 14 -10.083 5.810 -2.393 99 HB2 GLN 14 HB2 GLN 14 -10.495 6.651 0.427 100 HB3 GLN 14 HB1 GLN 14 -9.923 7.717 -0.861 101 HG2 GLN 14 HG2 GLN 14 -12.607 6.449 -0.490 102 HG3 GLN 14 HG1 GLN 14 -12.251 8.181 -0.514 103 HE21 GLN 14 HE21 GLN 14 -10.605 8.010 -2.843 104 HE22 GLN 14 HE22 GLN 14 -11.604 7.636 -4.196 105 H VAL 15 HN VAL 15 -9.494 4.102 0.531 106 HA VAL 15 HA VAL 15 -6.763 4.828 0.738 107 HB VAL 15 HB VAL 15 -8.384 2.649 2.091 108 HG11 VAL 15 HG11 VAL 15 -6.097 1.861 1.771 109 HG12 VAL 15 HG12 VAL 15 -6.258 2.338 3.480 110 HG13 VAL 15 HG13 VAL 15 -5.481 3.410 2.283 111 HG21 VAL 15 HG21 VAL 15 -7.060 5.165 3.098 112 HG22 VAL 15 HG22 VAL 15 -7.887 3.978 4.099 113 HG23 VAL 15 HG23 VAL 15 -8.797 4.888 2.895 114 H LYS 16 HN LYS 16 -8.590 2.000 -0.518 115 HA LYS 16 HA LYS 16 -6.473 0.670 -1.483 116 HB2 LYS 16 HB2 LYS 16 -9.304 1.006 -2.289 117 HB3 LYS 16 HB1 LYS 16 -8.251 0.155 -3.371 118 HG2 LYS 16 HG2 LYS 16 -7.690 -1.340 -1.362 119 HG3 LYS 16 HG1 LYS 16 -9.022 -0.530 -0.538 120 HD2 LYS 16 HD2 LYS 16 -9.253 -2.065 -3.131 121 HD3 LYS 16 HD1 LYS 16 -9.673 -2.693 -1.541 122 HE2 LYS 16 HE2 LYS 16 -11.385 -0.964 -1.314 123 HE3 LYS 16 HE1 LYS 16 -10.953 -0.319 -2.893 124 HZ1 LYS 16 HZ1 LYS 16 -11.611 -2.432 -3.883 125 HZ2 LYS 16 HZ2 LYS 16 -12.886 -1.751 -3.016 126 HZ3 LYS 16 HZ3 LYS 16 -12.029 -3.038 -2.367 127 H GLU 17 HN GLU 17 -8.278 3.327 -3.033 128 HA GLU 17 HA GLU 17 -6.624 3.354 -5.273 129 HB2 GLU 17 HB2 GLU 17 -8.165 5.643 -4.086 130 HB3 GLU 17 HB1 GLU 17 -7.371 5.677 -5.653 131 HG2 GLU 17 HG2 GLU 17 -8.754 3.685 -6.259 132 HG3 GLU 17 HG1 GLU 17 -9.690 3.990 -4.793 133 H GLN 18 HN GLN 18 -6.012 4.770 -2.054 134 HA GLN 18 HA GLN 18 -3.968 6.365 -3.051 135 HB2 GLN 18 HB2 GLN 18 -3.467 7.061 -0.853 136 HB3 GLN 18 HB1 GLN 18 -5.179 6.672 -0.819 137 HG2 GLN 18 HG2 GLN 18 -4.678 4.583 0.269 138 HG3 GLN 18 HG1 GLN 18 -2.961 4.977 0.227 139 HE21 GLN 18 HE21 GLN 18 -3.482 7.856 0.769 140 HE22 GLN 18 HE22 GLN 18 -3.860 7.942 2.434 141 H LEU 19 HN LEU 19 -4.059 3.360 -1.551 142 HA LEU 19 HA LEU 19 -1.331 2.805 -1.592 143 HB2 LEU 19 HB2 LEU 19 -3.839 1.342 -1.320 144 HB3 LEU 19 HB1 LEU 19 -2.356 0.456 -1.489 145 HG LEU 19 HG LEU 19 -2.956 2.526 0.664 146 HD11 LEU 19 HD11 LEU 19 -4.361 0.646 0.947 147 HD12 LEU 19 HD12 LEU 19 -3.100 0.597 2.192 148 HD13 LEU 19 HD13 LEU 19 -3.007 -0.463 0.777 149 HD21 LEU 19 HD21 LEU 19 -0.559 2.337 0.238 150 HD22 LEU 19 HD22 LEU 19 -0.654 0.588 0.401 151 HD23 LEU 19 HD23 LEU 19 -0.964 1.618 1.797 152 H THR 20 HN THR 20 -3.960 2.024 -3.814 153 HA THR 20 HA THR 20 -2.575 0.430 -5.602 154 HB THR 20 HB THR 20 -4.851 2.368 -5.969 155 HG1 THR 20 HG1 THR 20 -5.053 0.346 -4.716 156 HG21 THR 20 HG21 THR 20 -3.746 2.125 -8.150 157 HG22 THR 20 HG22 THR 20 -5.338 1.388 -8.133 158 HG23 THR 20 HG23 THR 20 -3.889 0.363 -8.052 159 H GLU 21 HN GLU 21 -3.118 3.945 -5.659 160 HA GLU 21 HA GLU 21 -1.733 4.356 -8.053 161 HB2 GLU 21 HB2 GLU 21 -3.478 5.761 -7.142 162 HB3 GLU 21 HB1 GLU 21 -2.419 6.227 -5.816 163 HG2 GLU 21 HG2 GLU 21 -0.929 7.333 -7.373 164 HG3 GLU 21 HG1 GLU 21 -1.927 6.800 -8.729 165 H SER 22 HN SER 22 -0.837 4.613 -4.699 166 HA SER 22 HA SER 22 1.738 5.695 -5.039 167 HB2 SER 22 HB2 SER 22 0.705 3.898 -2.839 168 HB3 SER 22 HB1 SER 22 2.209 4.829 -2.758 169 HG SER 22 HG SER 22 -0.461 5.775 -2.922 170 H GLY 23 HN GLY 23 0.663 2.401 -4.715 171 HA2 GLY 23 HA2 GLY 23 3.164 1.074 -5.047 172 HA3 GLY 23 HA1 GLY 23 1.589 0.373 -5.382 173 H LYS 24 HN LYS 24 0.780 2.241 -7.340 174 HA LYS 24 HA LYS 24 1.862 1.107 -9.663 175 HB2 LYS 24 HB2 LYS 24 0.239 3.583 -9.231 176 HB3 LYS 24 HB1 LYS 24 0.641 2.933 -10.811 177 HG2 LYS 24 HG2 LYS 24 -0.732 1.291 -8.721 178 HG3 LYS 24 HG1 LYS 24 -1.686 2.351 -9.729 179 HD2 LYS 24 HD2 LYS 24 0.078 0.029 -10.597 180 HD3 LYS 24 HD1 LYS 24 -1.685 0.029 -10.549 181 HE2 LYS 24 HE2 LYS 24 -1.621 1.931 -12.185 182 HE3 LYS 24 HE1 LYS 24 0.116 1.639 -12.290 183 HZ1 LYS 24 HZ1 LYS 24 -1.012 0.560 -14.088 184 HZ2 LYS 24 HZ2 LYS 24 -2.071 -0.177 -13.081 185 HZ3 LYS 24 HZ3 LYS 24 -0.456 -0.681 -13.086 186 H LYS 25 HN LYS 25 2.593 4.108 -7.957 187 HA LYS 25 HA LYS 25 4.314 5.225 -9.918 188 HB2 LYS 25 HB2 LYS 25 4.148 5.658 -6.930 189 HB3 LYS 25 HB1 LYS 25 5.030 6.675 -8.056 190 HG2 LYS 25 HG2 LYS 25 3.004 7.471 -9.034 191 HG3 LYS 25 HG1 LYS 25 2.057 6.244 -8.201 192 HD2 LYS 25 HD2 LYS 25 1.792 8.413 -7.103 193 HD3 LYS 25 HD1 LYS 25 2.599 7.269 -6.044 194 HE2 LYS 25 HE2 LYS 25 3.687 9.389 -5.830 195 HE3 LYS 25 HE1 LYS 25 4.776 8.302 -6.677 196 HZ1 LYS 25 HZ1 LYS 25 4.762 10.462 -7.668 197 HZ2 LYS 25 HZ2 LYS 25 3.104 10.424 -7.913 198 HZ3 LYS 25 HZ3 LYS 25 4.120 9.371 -8.769 199 H ARG 26 HN ARG 26 4.703 3.399 -7.012 200 HA ARG 26 HA ARG 26 7.586 3.572 -6.955 201 HB2 ARG 26 HB2 ARG 26 5.849 1.696 -5.369 202 HB3 ARG 26 HB1 ARG 26 7.501 2.167 -5.012 203 HG2 ARG 26 HG2 ARG 26 6.785 4.424 -4.561 204 HG3 ARG 26 HG1 ARG 26 5.119 4.001 -4.983 205 HD2 ARG 26 HD2 ARG 26 5.201 3.884 -2.634 206 HD3 ARG 26 HD1 ARG 26 5.323 2.215 -3.215 207 HE ARG 26 HE ARG 26 7.888 3.258 -2.929 208 HH11 ARG 26 HH11 ARG 26 5.202 2.060 -1.005 209 HH12 ARG 26 HH12 ARG 26 6.095 1.697 0.369 210 HH21 ARG 26 HH21 ARG 26 9.138 2.926 -1.079 211 HH22 ARG 26 HH22 ARG 26 8.469 2.243 0.350 212 H GLY 27 HN GLY 27 5.227 1.064 -7.568 213 HA2 GLY 27 HA2 GLY 27 5.417 -0.648 -9.083 214 HA3 GLY 27 HA1 GLY 27 7.181 -0.584 -8.966 215 H VAL 28 HN VAL 28 5.771 -0.121 -5.990 216 HA VAL 28 HA VAL 28 5.608 -2.860 -5.166 217 HB VAL 28 HB VAL 28 8.023 -2.293 -5.583 218 HG11 VAL 28 HG11 VAL 28 7.706 -0.615 -3.146 219 HG12 VAL 28 HG12 VAL 28 8.144 -0.098 -4.775 220 HG13 VAL 28 HG13 VAL 28 9.259 -1.113 -3.842 221 HG21 VAL 28 HG21 VAL 28 7.147 -3.208 -2.916 222 HG22 VAL 28 HG22 VAL 28 8.797 -3.444 -3.552 223 HG23 VAL 28 HG23 VAL 28 7.393 -4.192 -4.357 224 H LEU 29 HN LEU 29 5.057 -3.071 -3.051 225 HA LEU 29 HA LEU 29 4.746 -0.765 -1.344 226 HB2 LEU 29 HB2 LEU 29 2.523 -2.552 -2.261 227 HB3 LEU 29 HB1 LEU 29 2.414 -1.690 -0.757 228 HG LEU 29 HG LEU 29 2.637 -0.420 -3.487 229 HD11 LEU 29 HD11 LEU 29 0.286 -0.764 -1.632 230 HD12 LEU 29 HD12 LEU 29 0.546 -1.647 -3.134 231 HD13 LEU 29 HD13 LEU 29 0.274 0.097 -3.171 232 HD21 LEU 29 HD21 LEU 29 2.010 1.619 -2.335 233 HD22 LEU 29 HD22 LEU 29 3.517 0.985 -1.661 234 HD23 LEU 29 HD23 LEU 29 1.985 0.764 -0.798 235 H THR 30 HN THR 30 5.339 -1.484 0.717 236 HA THR 30 HA THR 30 5.788 -4.258 1.216 237 HB THR 30 HB THR 30 6.021 -3.527 3.653 238 HG1 THR 30 HG1 THR 30 5.636 -0.935 2.520 239 HG21 THR 30 HG21 THR 30 8.153 -2.305 3.257 240 HG22 THR 30 HG22 THR 30 7.774 -2.319 1.521 241 HG23 THR 30 HG23 THR 30 7.973 -3.832 2.424 242 H TYR 31 HN TYR 31 4.593 -5.732 2.348 243 HA TYR 31 HA TYR 31 1.823 -5.652 2.384 244 HB2 TYR 31 HB2 TYR 31 3.744 -7.291 4.041 245 HB3 TYR 31 HB1 TYR 31 2.010 -7.494 4.169 246 HD1 TYR 31 HD1 TYR 31 4.962 -8.573 2.457 247 HD2 TYR 31 HD2 TYR 31 0.769 -8.049 1.970 248 HE1 TYR 31 HE1 TYR 31 4.972 -10.200 0.632 249 HE2 TYR 31 HE2 TYR 31 0.777 -9.676 0.140 250 HH TYR 31 HH TYR 31 3.351 -11.741 -0.431 251 H GLU 32 HN GLU 32 4.065 -4.539 4.800 252 HA GLU 32 HA GLU 32 2.206 -4.273 6.906 253 HB2 GLU 32 HB2 GLU 32 4.625 -4.488 7.240 254 HB3 GLU 32 HB1 GLU 32 4.856 -2.892 6.540 255 HG2 GLU 32 HG2 GLU 32 3.600 -1.897 8.352 256 HG3 GLU 32 HG1 GLU 32 3.290 -3.492 9.037 257 H GLU 33 HN GLU 33 3.309 -1.972 4.396 258 HA GLU 33 HA GLU 33 2.057 0.228 5.770 259 HB2 GLU 33 HB2 GLU 33 2.701 1.600 3.890 260 HB3 GLU 33 HB1 GLU 33 4.053 0.565 4.317 261 HG2 GLU 33 HG2 GLU 33 3.407 -0.944 2.469 262 HG3 GLU 33 HG1 GLU 33 2.159 0.219 2.017 263 H ILE 34 HN ILE 34 1.224 -2.093 3.427 264 HA ILE 34 HA ILE 34 -1.130 -0.875 2.486 265 HB ILE 34 HB ILE 34 -0.425 -3.822 2.622 266 HG12 ILE 34 HG12 ILE 34 -0.122 -1.854 0.353 267 HG13 ILE 34 HG11 ILE 34 1.195 -2.398 1.387 268 HG21 ILE 34 HG21 ILE 34 -2.781 -3.535 2.292 269 HG22 ILE 34 HG22 ILE 34 -2.069 -3.940 0.707 270 HG23 ILE 34 HG23 ILE 34 -2.496 -2.283 1.090 271 HD11 ILE 34 HD11 ILE 34 1.220 -3.564 -0.686 272 HD12 ILE 34 HD12 ILE 34 -0.452 -4.091 -0.469 273 HD13 ILE 34 HD13 ILE 34 0.816 -4.695 0.605 274 H ALA 35 HN ALA 35 -0.346 -2.986 5.233 275 HA ALA 35 HA ALA 35 -2.995 -3.497 5.997 276 HB1 ALA 35 HB1 ALA 35 -1.959 -4.397 8.046 277 HB2 ALA 35 HB2 ALA 35 -0.400 -3.758 7.515 278 HB3 ALA 35 HB3 ALA 35 -1.202 -5.018 6.580 279 H GLU 36 HN GLU 36 -0.546 -1.098 6.658 280 HA GLU 36 HA GLU 36 -1.319 0.025 9.025 281 HB2 GLU 36 HB2 GLU 36 0.770 0.528 8.019 282 HB3 GLU 36 HB1 GLU 36 -0.006 1.157 6.575 283 HG2 GLU 36 HG2 GLU 36 -1.010 2.945 8.029 284 HG3 GLU 36 HG1 GLU 36 0.050 2.377 9.314 285 H ARG 37 HN ARG 37 -2.177 1.093 5.696 286 HA ARG 37 HA ARG 37 -3.807 3.150 6.607 287 HB2 ARG 37 HB2 ARG 37 -3.802 1.709 3.964 288 HB3 ARG 37 HB1 ARG 37 -4.492 3.288 4.295 289 HG2 ARG 37 HG2 ARG 37 -1.567 2.605 4.456 290 HG3 ARG 37 HG1 ARG 37 -2.355 3.417 3.106 291 HD2 ARG 37 HD2 ARG 37 -3.014 5.238 4.655 292 HD3 ARG 37 HD1 ARG 37 -2.101 4.433 5.934 293 HE ARG 37 HE ARG 37 -0.252 4.631 4.090 294 HH11 ARG 37 HH11 ARG 37 -2.474 7.099 5.335 295 HH12 ARG 37 HH12 ARG 37 -1.463 8.401 4.878 296 HH21 ARG 37 HH21 ARG 37 1.109 6.481 3.472 297 HH22 ARG 37 HH22 ARG 37 0.544 8.044 3.810 298 H MET 38 HN MET 38 -4.337 -0.241 6.060 299 HA MET 38 HA MET 38 -7.176 0.070 5.777 300 HB2 MET 38 HB2 MET 38 -5.586 -2.487 5.985 301 HB3 MET 38 HB1 MET 38 -7.289 -2.349 5.639 302 HG2 MET 38 HG2 MET 38 -5.088 -1.249 3.944 303 HG3 MET 38 HG1 MET 38 -6.015 -2.719 3.630 304 HE1 MET 38 HE1 MET 38 -7.299 -0.336 0.863 305 HE2 MET 38 HE2 MET 38 -6.812 -1.985 1.236 306 HE3 MET 38 HE3 MET 38 -5.669 -0.667 1.463 307 H SER 39 HN SER 39 -5.194 0.035 8.485 308 HA SER 39 HA SER 39 -7.002 -1.503 10.066 309 HB2 SER 39 HB2 SER 39 -5.596 -0.638 12.014 310 HB3 SER 39 HB1 SER 39 -4.770 -1.631 10.816 311 HG SER 39 HG SER 39 -3.465 -0.002 11.025 312 H SER 40 HN SER 40 -7.260 1.456 8.768 313 HA SER 40 HA SER 40 -8.731 2.808 10.805 314 HB2 SER 40 HB2 SER 40 -7.752 3.913 8.748 315 HB3 SER 40 HB1 SER 40 -8.939 3.035 7.791 316 HG SER 40 HG SER 40 -9.463 4.970 9.796 317 H PHE 41 HN PHE 41 -9.257 0.300 8.542 318 HA PHE 41 HA PHE 41 -12.144 0.136 9.083 319 HB2 PHE 41 HB2 PHE 41 -10.556 -1.225 6.930 320 HB3 PHE 41 HB1 PHE 41 -12.290 -0.959 6.917 321 HD1 PHE 41 HD1 PHE 41 -12.953 1.612 6.912 322 HD2 PHE 41 HD2 PHE 41 -9.187 0.052 5.748 323 HE1 PHE 41 HE1 PHE 41 -12.477 3.682 5.678 324 HE2 PHE 41 HE2 PHE 41 -8.697 2.095 4.517 325 HZ PHE 41 HZ PHE 41 -10.335 3.923 4.487 326 H GLU 42 HN GLU 42 -12.530 -2.478 8.576 327 HA GLU 42 HA GLU 42 -10.592 -3.874 10.257 328 HB2 GLU 42 HB2 GLU 42 -13.525 -4.508 9.884 329 HB3 GLU 42 HB1 GLU 42 -12.399 -5.427 10.870 330 HG2 GLU 42 HG2 GLU 42 -12.073 -3.500 12.319 331 HG3 GLU 42 HG1 GLU 42 -13.188 -2.565 11.325 332 H ILE 43 HN ILE 43 -9.364 -4.109 8.348 333 HA ILE 43 HA ILE 43 -10.508 -5.963 6.405 334 HB ILE 43 HB ILE 43 -7.985 -4.366 6.145 335 HG12 ILE 43 HG12 ILE 43 -9.882 -2.889 6.390 336 HG13 ILE 43 HG11 ILE 43 -9.228 -2.797 4.756 337 HG21 ILE 43 HG21 ILE 43 -9.665 -5.743 4.074 338 HG22 ILE 43 HG22 ILE 43 -8.145 -6.350 4.725 339 HG23 ILE 43 HG23 ILE 43 -8.166 -4.860 3.768 340 HD11 ILE 43 HD11 ILE 43 -11.646 -2.777 4.711 341 HD12 ILE 43 HD12 ILE 43 -11.690 -4.297 5.625 342 HD13 ILE 43 HD13 ILE 43 -11.006 -4.260 3.993 343 H GLU 44 HN GLU 44 -10.061 -7.840 6.833 344 HA GLU 44 HA GLU 44 -7.830 -8.748 8.393 345 HB2 GLU 44 HB2 GLU 44 -9.993 -10.154 6.869 346 HB3 GLU 44 HB1 GLU 44 -8.809 -10.952 7.902 347 HG2 GLU 44 HG2 GLU 44 -10.661 -8.800 8.826 348 HG3 GLU 44 HG1 GLU 44 -11.014 -10.518 8.966 349 H SER 45 HN SER 45 -6.455 -10.493 7.628 350 HA SER 45 HA SER 45 -4.880 -9.763 5.486 351 HB2 SER 45 HB2 SER 45 -3.941 -12.091 5.913 352 HB3 SER 45 HB1 SER 45 -4.026 -10.988 7.302 353 HG SER 45 HG SER 45 -4.941 -12.752 8.103 354 H ASP 46 HN ASP 46 -7.550 -11.922 5.834 355 HA ASP 46 HA ASP 46 -7.630 -13.455 3.538 356 HB2 ASP 46 HB2 ASP 46 -10.002 -12.104 4.826 357 HB3 ASP 46 HB1 ASP 46 -9.988 -13.613 3.927 358 H GLN 47 HN GLN 47 -8.970 -10.259 4.164 359 HA GLN 47 HA GLN 47 -10.016 -9.875 1.509 360 HB2 GLN 47 HB2 GLN 47 -9.518 -7.723 3.522 361 HB3 GLN 47 HB1 GLN 47 -10.730 -7.764 2.255 362 HG2 GLN 47 HG2 GLN 47 -11.899 -9.542 3.491 363 HG3 GLN 47 HG1 GLN 47 -10.693 -9.405 4.772 364 HE21 GLN 47 HE21 GLN 47 -12.018 -6.744 2.905 365 HE22 GLN 47 HE22 GLN 47 -12.829 -6.004 4.236 366 H MET 48 HN MET 48 -7.286 -8.784 3.434 367 HA MET 48 HA MET 48 -6.203 -6.938 1.734 368 HB2 MET 48 HB2 MET 48 -4.893 -8.812 3.679 369 HB3 MET 48 HB1 MET 48 -3.922 -7.727 2.712 370 HG2 MET 48 HG2 MET 48 -6.150 -6.669 4.399 371 HG3 MET 48 HG1 MET 48 -4.593 -7.073 5.111 372 HE1 MET 48 HE1 MET 48 -6.468 -4.804 2.471 373 HE2 MET 48 HE2 MET 48 -5.136 -5.378 1.440 374 HE3 MET 48 HE3 MET 48 -5.190 -3.709 1.962 375 H ASP 49 HN ASP 49 -5.811 -10.417 1.826 376 HA ASP 49 HA ASP 49 -3.906 -10.874 -0.165 377 HB2 ASP 49 HB2 ASP 49 -4.802 -12.527 1.444 378 HB3 ASP 49 HB1 ASP 49 -6.315 -12.526 0.565 379 H GLU 50 HN GLU 50 -7.372 -10.394 -0.379 380 HA GLU 50 HA GLU 50 -7.642 -11.030 -3.087 381 HB2 GLU 50 HB2 GLU 50 -9.335 -9.100 -1.482 382 HB3 GLU 50 HB1 GLU 50 -9.801 -9.919 -2.963 383 HG2 GLU 50 HG2 GLU 50 -9.747 -12.062 -1.807 384 HG3 GLU 50 HG1 GLU 50 -9.246 -11.257 -0.321 385 H TYR 51 HN TYR 51 -7.019 -8.089 -1.300 386 HA TYR 51 HA TYR 51 -6.973 -6.337 -3.537 387 HB2 TYR 51 HB2 TYR 51 -7.381 -5.541 -1.251 388 HB3 TYR 51 HB1 TYR 51 -5.755 -6.001 -0.793 389 HD1 TYR 51 HD1 TYR 51 -7.051 -4.070 -3.802 390 HD2 TYR 51 HD2 TYR 51 -4.556 -4.105 -0.322 391 HE1 TYR 51 HE1 TYR 51 -6.211 -1.872 -4.366 392 HE2 TYR 51 HE2 TYR 51 -3.710 -1.881 -0.935 393 HH TYR 51 HH TYR 51 -3.474 -0.583 -2.951 394 H TYR 52 HN TYR 52 -4.563 -8.331 -1.951 395 HA TYR 52 HA TYR 52 -2.301 -7.166 -3.133 396 HB2 TYR 52 HB2 TYR 52 -2.632 -10.016 -2.145 397 HB3 TYR 52 HB1 TYR 52 -1.097 -9.304 -2.620 398 HD1 TYR 52 HD1 TYR 52 -2.038 -10.498 0.143 399 HD2 TYR 52 HD2 TYR 52 -1.675 -6.525 -1.355 400 HE1 TYR 52 HE1 TYR 52 -1.793 -9.645 2.433 401 HE2 TYR 52 HE2 TYR 52 -1.416 -5.698 0.910 402 HH TYR 52 HH TYR 52 -2.051 -6.374 3.198 403 H GLU 53 HN GLU 53 -4.398 -9.769 -4.188 404 HA GLU 53 HA GLU 53 -3.110 -10.461 -6.553 405 HB2 GLU 53 HB2 GLU 53 -4.960 -11.723 -5.570 406 HB3 GLU 53 HB1 GLU 53 -6.052 -10.387 -5.882 407 HG2 GLU 53 HG2 GLU 53 -5.731 -10.691 -8.281 408 HG3 GLU 53 HG1 GLU 53 -4.642 -12.039 -7.958 409 H PHE 54 HN PHE 54 -5.634 -8.079 -5.890 410 HA PHE 54 HA PHE 54 -6.048 -7.055 -8.418 411 HB2 PHE 54 HB2 PHE 54 -7.548 -6.460 -6.678 412 HB3 PHE 54 HB1 PHE 54 -6.246 -5.846 -5.671 413 HD1 PHE 54 HD1 PHE 54 -5.478 -3.686 -5.862 414 HD2 PHE 54 HD2 PHE 54 -8.282 -5.165 -8.661 415 HE1 PHE 54 HE1 PHE 54 -5.811 -1.407 -6.692 416 HE2 PHE 54 HE2 PHE 54 -8.634 -2.872 -9.515 417 HZ PHE 54 HZ PHE 54 -7.353 -0.990 -8.490 418 H LEU 55 HN LEU 55 -3.844 -5.857 -5.929 419 HA LEU 55 HA LEU 55 -2.685 -3.818 -7.396 420 HB2 LEU 55 HB2 LEU 55 -1.599 -5.460 -5.137 421 HB3 LEU 55 HB1 LEU 55 -0.726 -4.099 -5.803 422 HG LEU 55 HG LEU 55 -3.461 -3.941 -4.549 423 HD11 LEU 55 HD11 LEU 55 -1.733 -4.475 -2.916 424 HD12 LEU 55 HD12 LEU 55 -2.290 -2.810 -2.726 425 HD13 LEU 55 HD13 LEU 55 -0.752 -3.140 -3.517 426 HD21 LEU 55 HD21 LEU 55 -1.565 -1.808 -5.536 427 HD22 LEU 55 HD22 LEU 55 -3.045 -1.521 -4.627 428 HD23 LEU 55 HD23 LEU 55 -3.134 -2.218 -6.238 429 H GLY 56 HN GLY 56 -1.721 -7.173 -7.072 430 HA2 GLY 56 HA2 GLY 56 0.683 -7.104 -8.516 431 HA3 GLY 56 HA1 GLY 56 -0.340 -8.524 -8.303 432 H GLU 57 HN GLU 57 -2.646 -7.632 -9.572 433 HA GLU 57 HA GLU 57 -2.082 -8.111 -12.236 434 HB2 GLU 57 HB2 GLU 57 -4.512 -7.116 -10.814 435 HB3 GLU 57 HB1 GLU 57 -4.488 -7.473 -12.534 436 HG2 GLU 57 HG2 GLU 57 -3.854 -9.441 -10.338 437 HG3 GLU 57 HG1 GLU 57 -5.392 -9.324 -11.193 438 H GLN 58 HN GLN 58 -2.557 -5.090 -10.507 439 HA GLN 58 HA GLN 58 -2.735 -3.508 -12.893 440 HB2 GLN 58 HB2 GLN 58 -2.251 -2.610 -10.050 441 HB3 GLN 58 HB1 GLN 58 -2.707 -1.578 -11.395 442 HG2 GLN 58 HG2 GLN 58 -4.371 -3.766 -10.167 443 HG3 GLN 58 HG1 GLN 58 -4.620 -2.033 -9.986 444 HE21 GLN 58 HE21 GLN 58 -6.375 -4.129 -11.027 445 HE22 GLN 58 HE22 GLN 58 -6.860 -3.597 -12.579 446 H GLY 59 HN GLY 59 -0.213 -3.935 -10.422 447 HA2 GLY 59 HA2 GLY 59 1.980 -4.269 -11.869 448 HA3 GLY 59 HA1 GLY 59 1.660 -2.578 -12.220 449 H VAL 60 HN VAL 60 1.389 -4.446 -9.208 450 HA VAL 60 HA VAL 60 3.472 -2.768 -7.981 451 HB VAL 60 HB VAL 60 0.895 -3.526 -6.624 452 HG11 VAL 60 HG11 VAL 60 1.595 -1.922 -4.921 453 HG12 VAL 60 HG12 VAL 60 3.054 -1.597 -5.854 454 HG13 VAL 60 HG13 VAL 60 2.784 -3.200 -5.184 455 HG21 VAL 60 HG21 VAL 60 0.282 -1.935 -8.387 456 HG22 VAL 60 HG22 VAL 60 1.555 -0.847 -7.854 457 HG23 VAL 60 HG23 VAL 60 0.170 -1.149 -6.808 458 H GLU 61 HN GLU 61 4.913 -4.142 -7.157 459 HA GLU 61 HA GLU 61 4.063 -6.821 -6.471 460 HB2 GLU 61 HB2 GLU 61 6.747 -5.471 -6.605 461 HB3 GLU 61 HB1 GLU 61 6.568 -7.105 -5.994 462 HG2 GLU 61 HG2 GLU 61 5.482 -7.674 -8.194 463 HG3 GLU 61 HG1 GLU 61 5.930 -6.072 -8.746 464 H LEU 62 HN LEU 62 3.711 -7.464 -4.390 465 HA LEU 62 HA LEU 62 3.994 -5.354 -2.428 466 HB2 LEU 62 HB2 LEU 62 2.674 -8.037 -2.062 467 HB3 LEU 62 HB1 LEU 62 2.558 -6.655 -1.002 468 HG LEU 62 HG LEU 62 0.555 -6.561 -2.013 469 HD11 LEU 62 HD11 LEU 62 1.539 -4.441 -2.364 470 HD12 LEU 62 HD12 LEU 62 0.441 -4.840 -3.688 471 HD13 LEU 62 HD13 LEU 62 2.185 -4.963 -3.920 472 HD21 LEU 62 HD21 LEU 62 1.726 -7.488 -4.619 473 HD22 LEU 62 HD22 LEU 62 0.020 -7.132 -4.304 474 HD23 LEU 62 HD23 LEU 62 0.808 -8.454 -3.456 475 H ILE 63 HN ILE 63 5.854 -5.264 -1.430 476 HA ILE 63 HA ILE 63 7.308 -7.732 -1.059 477 HB ILE 63 HB ILE 63 9.076 -6.442 -0.020 478 HG12 ILE 63 HG12 ILE 63 7.607 -4.058 -1.142 479 HG13 ILE 63 HG11 ILE 63 7.889 -4.410 0.554 480 HG21 ILE 63 HG21 ILE 63 9.242 -7.260 -2.138 481 HG22 ILE 63 HG22 ILE 63 9.895 -5.599 -2.141 482 HG23 ILE 63 HG23 ILE 63 8.273 -5.926 -2.828 483 HD11 ILE 63 HD11 ILE 63 10.299 -4.151 0.228 484 HD12 ILE 63 HD12 ILE 63 9.439 -2.699 -0.285 485 HD13 ILE 63 HD13 ILE 63 10.043 -3.841 -1.483 486 H SER 64 HN SER 64 8.431 -8.130 0.714 487 HA SER 64 HA SER 64 6.719 -8.222 2.997 488 HB2 SER 64 HB2 SER 64 9.065 -9.493 1.907 489 HB3 SER 64 HB1 SER 64 8.668 -9.684 3.608 490 HG SER 64 HG SER 64 7.568 -10.802 1.340 491 H GLU 65 HN GLU 65 8.921 -5.909 2.167 492 HA GLU 65 HA GLU 65 10.041 -4.324 3.319 493 HB2 GLU 65 HB2 GLU 65 8.191 -4.085 4.806 494 HB3 GLU 65 HB1 GLU 65 8.566 -5.577 5.632 495 HG2 GLU 65 HG2 GLU 65 10.471 -3.294 5.820 496 HG3 GLU 65 HG1 GLU 65 8.960 -3.250 6.730 497 H ASN 66 HN ASN 66 10.448 -7.463 4.747 498 HA ASN 66 HA ASN 66 13.163 -7.066 5.621 499 HB2 ASN 66 HB2 ASN 66 11.565 -8.722 6.638 500 HB3 ASN 66 HB1 ASN 66 11.610 -9.622 5.128 501 HD21 ASN 66 HD21 ASN 66 12.327 -11.465 6.242 502 HD22 ASN 66 HD22 ASN 66 13.947 -11.620 6.784 503 H GLU 67 HN GLU 67 12.242 -6.708 2.731 504 HA GLU 67 HA GLU 67 14.529 -7.906 1.466 505 HB2 GLU 67 HB2 GLU 67 13.287 -8.850 -0.360 506 HB3 GLU 67 HB1 GLU 67 12.465 -9.438 1.095 507 HG2 GLU 67 HG2 GLU 67 10.846 -7.594 0.800 508 HG3 GLU 67 HG1 GLU 67 11.758 -7.163 -0.658 509 H GLU 68 HN GLU 68 14.550 -6.894 -0.799 510 HA GLU 68 HA GLU 68 14.691 -5.305 -2.109 511 HB2 GLU 68 HB2 GLU 68 11.975 -4.795 -1.141 512 HB3 GLU 68 HB1 GLU 68 12.648 -3.775 -2.423 513 HG2 GLU 68 HG2 GLU 68 12.147 -6.764 -2.467 514 HG3 GLU 68 HG1 GLU 68 11.392 -5.521 -3.457 515 H THR 69 HN THR 69 14.191 -2.634 -2.270 516 HA THR 69 HA THR 69 14.779 -1.387 0.247 517 HB THR 69 HB THR 69 17.000 -1.824 -0.566 518 HG1 THR 69 HG1 THR 69 17.749 0.170 -0.372 519 HG21 THR 69 HG21 THR 69 16.200 -0.374 -3.103 520 HG22 THR 69 HG22 THR 69 16.617 -2.083 -2.960 521 HG23 THR 69 HG23 THR 69 17.847 -0.852 -2.691 522 H GLU 70 HN GLU 70 12.734 -0.710 0.164 523 HA GLU 70 HA GLU 70 12.139 1.139 -1.983 524 HB2 GLU 70 HB2 GLU 70 9.811 1.164 -1.057 525 HB3 GLU 70 HB1 GLU 70 10.360 -0.407 -1.593 526 HG2 GLU 70 HG2 GLU 70 9.086 -0.668 0.407 527 HG3 GLU 70 HG1 GLU 70 10.766 -1.024 0.777 528 H ASP 71 HN ASP 71 13.805 1.324 0.555 529 HA ASP 71 HA ASP 71 12.792 3.656 1.888 530 HB2 ASP 71 HB2 ASP 71 13.996 2.009 3.130 531 HB3 ASP 71 HB1 ASP 71 15.393 2.170 2.083 532 H LEU 72 HN LEU 72 14.829 2.961 -0.564 533 HA LEU 72 HA LEU 72 16.459 5.315 -0.492 534 HB2 LEU 72 HB2 LEU 72 16.145 3.212 -2.590 535 HB3 LEU 72 HB1 LEU 72 17.299 4.534 -2.722 536 HG LEU 72 HG LEU 72 17.248 2.373 -0.620 537 HD11 LEU 72 HD11 LEU 72 19.067 2.853 -2.959 538 HD12 LEU 72 HD12 LEU 72 17.946 1.498 -2.679 539 HD13 LEU 72 HD13 LEU 72 19.358 1.700 -1.653 540 HD21 LEU 72 HD21 LEU 72 19.213 4.637 -1.007 541 HD22 LEU 72 HD22 LEU 72 19.413 3.280 0.097 542 HD23 LEU 72 HD23 LEU 72 18.105 4.427 0.357 543 H GLU 73 HN GLU 73 13.365 4.754 -1.836 544 HA GLU 73 HA GLU 73 13.610 7.024 -3.631 545 HB2 GLU 73 HB2 GLU 73 11.303 6.577 -4.268 546 HB3 GLU 73 HB1 GLU 73 12.231 5.089 -4.326 547 HG2 GLU 73 HG2 GLU 73 11.294 4.454 -2.144 548 HG3 GLU 73 HG1 GLU 73 10.330 5.929 -2.151 549 H HIS 74 HN HIS 74 13.144 6.527 -0.422 550 HA HIS 74 HA HIS 74 12.775 7.806 1.320 551 HB2 HIS 74 HB2 HIS 74 12.315 10.085 -0.617 552 HB3 HIS 74 HB1 HIS 74 12.441 10.264 1.131 553 HD1 HIS 74 HD1 HIS 74 14.500 10.353 -1.867 554 HD2 HIS 74 HD2 HIS 74 15.037 9.295 2.109 555 HE1 HIS 74 HE1 HIS 74 16.955 10.255 -1.514 556 H HIS 75 HN HIS 75 11.226 8.183 2.709 557 HA HIS 75 HA HIS 75 8.576 7.407 1.910 558 HB2 HIS 75 HB2 HIS 75 9.708 6.595 3.994 559 HB3 HIS 75 HB1 HIS 75 9.656 8.233 4.620 560 HD1 HIS 75 HD1 HIS 75 7.568 5.188 4.146 561 HD2 HIS 75 HD2 HIS 75 7.124 9.101 5.443 562 HE1 HIS 75 HE1 HIS 75 5.362 5.276 5.327 563 H HIS 76 HN HIS 76 10.212 10.228 3.216 564 HA HIS 76 HA HIS 76 7.953 11.881 2.374 565 HB2 HIS 76 HB2 HIS 76 9.774 12.291 4.763 566 HB3 HIS 76 HB1 HIS 76 8.723 13.545 4.120 567 HD1 HIS 76 HD1 HIS 76 8.779 11.068 6.675 568 HD2 HIS 76 HD2 HIS 76 5.900 12.549 4.085 569 HE1 HIS 76 HE1 HIS 76 6.540 10.500 7.707
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