NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570927 | 2mio | 19684 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 11.494 27.629 -7.623 2 H2 MET 1 H2 MET 1 12.287 26.489 -8.586 3 H3 MET 1 H3 MET 1 12.925 26.911 -7.080 4 HA MET 1 HA MET 1 10.337 25.569 -7.532 5 HB2 MET 1 HB2 MET 1 12.212 24.073 -8.076 6 HB3 MET 1 HB3 MET 1 13.006 24.453 -6.554 7 HG2 MET 1 HG2 MET 1 11.921 22.226 -6.538 8 HG3 MET 1 HG3 MET 1 11.257 23.302 -5.306 9 HE1 MET 1 HE1 MET 1 9.268 21.422 -5.149 10 HE2 MET 1 HE2 MET 1 9.927 20.524 -6.520 11 HE3 MET 1 HE3 MET 1 8.233 21.013 -6.516 12 H GLY 2 H GLY 2 9.155 26.808 -6.121 13 HA2 GLY 2 HA2 GLY 2 9.790 26.579 -3.229 14 HA3 GLY 2 HA3 GLY 2 9.391 28.149 -3.928 15 H HIS 3 H HIS 3 7.934 25.129 -4.985 16 HA HIS 3 HA HIS 3 5.442 25.681 -3.543 17 HB2 HIS 3 HB2 HIS 3 4.044 25.593 -5.522 18 HB3 HIS 3 HB3 HIS 3 5.247 26.849 -5.775 19 HD1 HIS 3 HD1 HIS 3 3.651 24.216 -7.538 20 HD2 HIS 3 HD2 HIS 3 7.557 25.648 -7.441 21 HE1 HIS 3 HE1 HIS 3 4.709 23.439 -9.671 22 HE2 HIS 3 HE2 HIS 3 6.994 24.472 -9.671 23 H HIS 4 H HIS 4 4.382 23.834 -2.970 24 HA HIS 4 HA HIS 4 5.577 21.243 -3.711 25 HB2 HIS 4 HB2 HIS 4 3.615 21.947 -1.477 26 HB3 HIS 4 HB3 HIS 4 4.316 20.352 -1.751 27 HD1 HIS 4 HD1 HIS 4 4.781 23.181 0.334 28 HD2 HIS 4 HD2 HIS 4 7.371 20.635 -1.679 29 HE1 HIS 4 HE1 HIS 4 7.003 23.426 1.478 30 HE2 HIS 4 HE2 HIS 4 8.454 21.686 0.405 31 H HIS 5 H HIS 5 4.524 19.853 -5.018 32 HA HIS 5 HA HIS 5 2.178 20.556 -6.455 33 HB2 HIS 5 HB2 HIS 5 3.907 19.104 -7.443 34 HB3 HIS 5 HB3 HIS 5 3.618 17.870 -6.222 35 HD1 HIS 5 HD1 HIS 5 2.189 16.007 -7.054 36 HD2 HIS 5 HD2 HIS 5 1.345 19.570 -9.021 37 HE1 HIS 5 HE1 HIS 5 0.376 15.469 -8.704 38 HE2 HIS 5 HE2 HIS 5 -0.251 17.670 -9.703 39 H HIS 6 H HIS 6 2.727 18.714 -3.562 40 HA HIS 6 HA HIS 6 0.087 17.505 -3.519 41 HB2 HIS 6 HB2 HIS 6 2.407 17.390 -1.555 42 HB3 HIS 6 HB3 HIS 6 0.878 16.545 -1.319 43 HD1 HIS 6 HD1 HIS 6 3.348 14.855 -1.420 44 HD2 HIS 6 HD2 HIS 6 1.210 15.838 -4.847 45 HE1 HIS 6 HE1 HIS 6 3.950 13.108 -3.120 46 HE2 HIS 6 HE2 HIS 6 2.533 13.647 -5.126 47 H HIS 7 H HIS 7 -1.246 19.251 -3.488 48 HA HIS 7 HA HIS 7 -1.333 21.005 -1.114 49 HB2 HIS 7 HB2 HIS 7 -2.811 21.163 -3.780 50 HB3 HIS 7 HB3 HIS 7 -3.080 22.267 -2.432 51 HD1 HIS 7 HD1 HIS 7 -1.647 22.498 -5.479 52 HD2 HIS 7 HD2 HIS 7 -0.091 23.197 -1.697 53 HE1 HIS 7 HE1 HIS 7 0.280 24.051 -5.828 54 HE2 HIS 7 HE2 HIS 7 1.341 24.237 -3.567 55 H HIS 8 H HIS 8 -3.628 21.456 -0.338 56 HA HIS 8 HA HIS 8 -4.910 18.956 0.393 57 HB2 HIS 8 HB2 HIS 8 -5.590 21.839 1.147 58 HB3 HIS 8 HB3 HIS 8 -6.346 20.411 1.853 59 HD1 HIS 8 HD1 HIS 8 -4.014 22.784 2.804 60 HD2 HIS 8 HD2 HIS 8 -3.962 18.634 2.844 61 HE1 HIS 8 HE1 HIS 8 -2.251 22.149 4.467 62 HE2 HIS 8 HE2 HIS 8 -2.118 19.651 4.335 63 H SER 9 H SER 9 -5.550 21.623 -1.799 64 HA SER 9 HA SER 9 -8.311 21.022 -2.325 65 HB2 SER 9 HB2 SER 9 -6.330 22.670 -3.952 66 HB3 SER 9 HB3 SER 9 -8.088 22.686 -4.128 67 HG SER 9 HG SER 9 -6.516 23.997 -2.329 68 H HIS 10 H HIS 10 -5.413 19.501 -3.284 69 HA HIS 10 HA HIS 10 -6.751 18.049 -5.485 70 HB2 HIS 10 HB2 HIS 10 -3.955 19.283 -5.583 71 HB3 HIS 10 HB3 HIS 10 -4.524 18.078 -6.733 72 HD1 HIS 10 HD1 HIS 10 -3.848 21.403 -6.911 73 HD2 HIS 10 HD2 HIS 10 -7.368 19.314 -7.618 74 HE1 HIS 10 HE1 HIS 10 -5.220 22.873 -8.411 75 HE2 HIS 10 HE2 HIS 10 -7.411 21.677 -8.640 76 H MET 11 H MET 11 -6.839 15.967 -4.812 77 HA MET 11 HA MET 11 -4.417 14.673 -3.686 78 HB2 MET 11 HB2 MET 11 -5.750 13.469 -2.010 79 HB3 MET 11 HB3 MET 11 -5.917 15.202 -1.773 80 HG2 MET 11 HG2 MET 11 -8.132 15.167 -2.797 81 HG3 MET 11 HG3 MET 11 -7.959 13.460 -3.188 82 HE1 MET 11 HE1 MET 11 -8.446 15.112 1.099 83 HE2 MET 11 HE2 MET 11 -8.531 16.119 -0.346 84 HE3 MET 11 HE3 MET 11 -6.992 15.408 0.149 85 H ILE 12 H ILE 12 -6.429 14.715 -6.206 86 HA ILE 12 HA ILE 12 -6.901 11.828 -6.514 87 HB ILE 12 HB ILE 12 -7.451 14.089 -8.517 88 HG12 ILE 12 HG12 ILE 12 -9.942 13.483 -7.914 89 HG13 ILE 12 HG13 ILE 12 -9.264 12.769 -6.459 90 HG21 ILE 12 HG21 ILE 12 -8.809 12.432 -9.753 91 HG22 ILE 12 HG22 ILE 12 -8.345 11.180 -8.601 92 HG23 ILE 12 HG23 ILE 12 -7.122 11.921 -9.637 93 HD11 ILE 12 HD11 ILE 12 -10.133 15.024 -6.106 94 HD12 ILE 12 HD12 ILE 12 -8.978 15.659 -7.278 95 HD13 ILE 12 HD13 ILE 12 -8.405 14.930 -5.776 96 H ARG 13 H ARG 13 -5.296 10.567 -7.314 97 HA ARG 13 HA ARG 13 -3.352 9.812 -8.202 98 HB2 ARG 13 HB2 ARG 13 -4.101 10.780 -10.362 99 HB3 ARG 13 HB3 ARG 13 -3.441 12.340 -9.910 100 HG2 ARG 13 HG2 ARG 13 -1.147 11.336 -9.965 101 HG3 ARG 13 HG3 ARG 13 -1.856 9.821 -10.521 102 HD2 ARG 13 HD2 ARG 13 -2.639 10.899 -12.577 103 HD3 ARG 13 HD3 ARG 13 -2.076 12.473 -12.009 104 HE ARG 13 HE ARG 13 -0.352 10.194 -12.766 105 HH11 ARG 13 HH11 ARG 13 -0.722 13.671 -12.345 106 HH12 ARG 13 HH12 ARG 13 0.838 14.031 -13.004 107 HH21 ARG 13 HH21 ARG 13 1.703 10.699 -13.595 108 HH22 ARG 13 HH22 ARG 13 2.199 12.357 -13.709 109 H SER 14 H SER 14 -0.992 10.142 -8.071 110 HA SER 14 HA SER 14 1.000 10.965 -7.382 111 HB2 SER 14 HB2 SER 14 0.262 13.061 -8.545 112 HB3 SER 14 HB3 SER 14 -0.456 13.623 -7.041 113 HG SER 14 HG SER 14 2.288 13.162 -7.597 114 H ARG 15 H ARG 15 -1.048 9.796 -5.535 115 HA ARG 15 HA ARG 15 -0.995 11.231 -3.044 116 HB2 ARG 15 HB2 ARG 15 -2.065 8.546 -3.921 117 HB3 ARG 15 HB3 ARG 15 -2.035 8.964 -2.219 118 HG2 ARG 15 HG2 ARG 15 -3.381 10.829 -4.156 119 HG3 ARG 15 HG3 ARG 15 -4.197 9.339 -3.681 120 HD2 ARG 15 HD2 ARG 15 -4.954 11.136 -2.264 121 HD3 ARG 15 HD3 ARG 15 -3.987 10.027 -1.290 122 HE ARG 15 HE ARG 15 -2.571 12.332 -2.368 123 HH11 ARG 15 HH11 ARG 15 -4.367 11.079 0.400 124 HH12 ARG 15 HH12 ARG 15 -3.697 12.232 1.507 125 HH21 ARG 15 HH21 ARG 15 -1.721 13.847 -0.890 126 HH22 ARG 15 HH22 ARG 15 -2.205 13.800 0.775 127 H LYS 16 H LYS 16 -0.090 10.544 -1.114 128 HA LYS 16 HA LYS 16 1.988 8.442 -1.179 129 HB2 LYS 16 HB2 LYS 16 1.823 10.885 0.644 130 HB3 LYS 16 HB3 LYS 16 3.048 9.617 0.740 131 HG2 LYS 16 HG2 LYS 16 3.862 10.215 -1.498 132 HG3 LYS 16 HG3 LYS 16 2.613 11.458 -1.625 133 HD2 LYS 16 HD2 LYS 16 4.634 12.586 -1.034 134 HD3 LYS 16 HD3 LYS 16 3.625 12.563 0.412 135 HE2 LYS 16 HE2 LYS 16 5.921 12.062 1.010 136 HE3 LYS 16 HE3 LYS 16 4.939 10.614 1.250 137 HZ1 LYS 16 HZ1 LYS 16 7.035 10.098 0.154 138 HZ2 LYS 16 HZ2 LYS 16 6.671 11.161 -1.106 139 HZ3 LYS 16 HZ3 LYS 16 5.742 9.766 -0.877 140 H ALA 17 H ALA 17 1.932 6.969 0.460 141 HA ALA 17 HA ALA 17 -0.054 7.213 2.633 142 HB1 ALA 17 HB1 ALA 17 0.294 4.705 0.937 143 HB2 ALA 17 HB2 ALA 17 -1.107 5.775 0.911 144 HB3 ALA 17 HB3 ALA 17 -0.734 4.856 2.369 145 H ARG 18 H ARG 18 0.753 6.523 4.559 146 HA ARG 18 HA ARG 18 3.403 5.199 4.593 147 HB2 ARG 18 HB2 ARG 18 3.281 7.448 5.709 148 HB3 ARG 18 HB3 ARG 18 2.039 6.829 6.793 149 HG2 ARG 18 HG2 ARG 18 3.624 5.238 7.749 150 HG3 ARG 18 HG3 ARG 18 4.867 5.749 6.608 151 HD2 ARG 18 HD2 ARG 18 4.871 8.004 7.634 152 HD3 ARG 18 HD3 ARG 18 3.616 7.488 8.766 153 HE ARG 18 HE ARG 18 5.403 5.690 9.362 154 HH11 ARG 18 HH11 ARG 18 6.094 9.081 8.650 155 HH12 ARG 18 HH12 ARG 18 7.510 9.112 9.658 156 HH21 ARG 18 HH21 ARG 18 7.248 5.767 10.671 157 HH22 ARG 18 HH22 ARG 18 8.155 7.237 10.799 158 H ALA 19 H ALA 19 3.332 3.143 5.090 159 HA ALA 19 HA ALA 19 1.077 1.660 5.852 160 HB1 ALA 19 HB1 ALA 19 2.692 -0.190 6.221 161 HB2 ALA 19 HB2 ALA 19 4.028 0.961 6.136 162 HB3 ALA 19 HB3 ALA 19 3.028 0.662 4.711 163 H VAL 20 H VAL 20 0.070 1.838 7.778 164 HA VAL 20 HA VAL 20 1.528 2.487 10.251 165 HB VAL 20 HB VAL 20 -0.727 2.843 11.249 166 HG11 VAL 20 HG11 VAL 20 -1.302 4.906 10.010 167 HG12 VAL 20 HG12 VAL 20 -0.293 4.387 8.657 168 HG13 VAL 20 HG13 VAL 20 0.443 4.747 10.222 169 HG21 VAL 20 HG21 VAL 20 -1.829 2.228 8.469 170 HG22 VAL 20 HG22 VAL 20 -2.767 2.841 9.835 171 HG23 VAL 20 HG23 VAL 20 -2.045 1.234 9.912 172 H TYR 21 H TYR 21 -0.005 -0.173 8.625 173 HA TYR 21 HA TYR 21 0.751 -1.965 10.862 174 HB2 TYR 21 HB2 TYR 21 -1.510 -2.420 8.855 175 HB3 TYR 21 HB3 TYR 21 -1.032 -3.528 10.130 176 HD1 TYR 21 HD2 TYR 21 -1.033 -2.296 12.601 177 HD2 TYR 21 HD1 TYR 21 -3.472 -1.220 9.260 178 HE1 TYR 21 HE2 TYR 21 -2.680 -1.270 14.119 179 HE2 TYR 21 HE1 TYR 21 -5.111 -0.202 10.777 180 HH TYR 21 HH TYR 21 -5.790 -0.397 13.168 181 HA PRO 22 HA PRO 22 3.329 -3.780 7.603 182 HB2 PRO 22 HB2 PRO 22 4.185 -6.040 8.823 183 HB3 PRO 22 HB3 PRO 22 4.671 -4.439 9.420 184 HG2 PRO 22 HG2 PRO 22 2.531 -6.265 10.477 185 HG3 PRO 22 HG3 PRO 22 3.759 -5.341 11.374 186 HD2 PRO 22 HD2 PRO 22 1.159 -4.475 11.041 187 HD3 PRO 22 HD3 PRO 22 2.534 -3.379 11.295 188 H CYS 23 H CYS 23 2.902 -4.974 5.819 189 HA CYS 23 HA CYS 23 0.804 -7.079 5.837 190 HB2 CYS 23 HB2 CYS 23 0.199 -5.238 4.360 191 HB3 CYS 23 HB3 CYS 23 1.793 -5.242 3.617 192 HG CYS 23 HG CYS 23 1.324 -6.983 1.800 193 H GLU 24 H GLU 24 2.116 -8.854 6.334 194 HA GLU 24 HA GLU 24 4.412 -9.521 4.666 195 HB2 GLU 24 HB2 GLU 24 4.120 -10.066 7.221 196 HB3 GLU 24 HB3 GLU 24 3.053 -11.360 6.700 197 HG2 GLU 24 HG2 GLU 24 5.982 -11.073 5.963 198 HG3 GLU 24 HG3 GLU 24 5.343 -12.151 7.197 199 H ALA 25 H ALA 25 3.484 -9.628 2.600 200 HA ALA 25 HA ALA 25 0.981 -11.044 2.122 201 HB1 ALA 25 HB1 ALA 25 1.189 -10.127 -0.157 202 HB2 ALA 25 HB2 ALA 25 2.795 -9.504 0.233 203 HB3 ALA 25 HB3 ALA 25 1.375 -8.869 1.067 204 H GLU 26 H GLU 26 0.748 -12.699 0.476 205 HA GLU 26 HA GLU 26 3.047 -14.575 0.485 206 HB2 GLU 26 HB2 GLU 26 1.428 -16.402 0.511 207 HB3 GLU 26 HB3 GLU 26 1.087 -15.296 1.835 208 HG2 GLU 26 HG2 GLU 26 -0.759 -14.301 0.510 209 HG3 GLU 26 HG3 GLU 26 -0.417 -15.428 -0.796 210 H HIS 27 H HIS 27 0.961 -12.790 -1.583 211 HA HIS 27 HA HIS 27 1.626 -14.452 -3.945 212 HB2 HIS 27 HB2 HIS 27 -0.771 -14.227 -3.638 213 HB3 HIS 27 HB3 HIS 27 -0.640 -12.487 -3.434 214 HD2 HIS 27 HD2 HIS 27 -2.097 -11.689 -5.579 215 HE1 HIS 27 HE1 HIS 27 0.142 -13.779 -8.491 216 HE2 HIS 27 HE2 HIS 27 -1.703 -12.096 -8.104 217 H SER 28 H SER 28 2.392 -13.454 -5.822 218 HA SER 28 HA SER 28 4.502 -11.665 -5.499 219 HB2 SER 28 HB2 SER 28 3.065 -12.450 -8.072 220 HB3 SER 28 HB3 SER 28 4.677 -11.730 -7.983 221 HG SER 28 HG SER 28 4.309 -13.990 -6.432 222 H SER 29 H SER 29 1.244 -11.082 -6.803 223 HA SER 29 HA SER 29 1.642 -8.467 -7.778 224 HB2 SER 29 HB2 SER 29 -0.930 -9.793 -6.830 225 HB3 SER 29 HB3 SER 29 -0.841 -8.329 -7.811 226 HG SER 29 HG SER 29 -0.232 -9.478 -9.526 227 H GLU 30 H GLU 30 0.691 -9.701 -4.622 228 HA GLU 30 HA GLU 30 -0.097 -7.194 -3.469 229 HB2 GLU 30 HB2 GLU 30 0.730 -9.763 -2.059 230 HB3 GLU 30 HB3 GLU 30 -0.197 -8.442 -1.369 231 HG2 GLU 30 HG2 GLU 30 -2.078 -8.954 -2.854 232 HG3 GLU 30 HG3 GLU 30 -1.149 -10.263 -3.599 233 H LEU 31 H LEU 31 1.268 -5.647 -2.669 234 HA LEU 31 HA LEU 31 4.105 -6.074 -2.450 235 HB2 LEU 31 HB2 LEU 31 2.380 -3.705 -1.639 236 HB3 LEU 31 HB3 LEU 31 4.136 -3.722 -1.516 237 HG LEU 31 HG LEU 31 2.545 -3.984 -4.075 238 HD11 LEU 31 HD11 LEU 31 4.171 -1.654 -3.034 239 HD12 LEU 31 HD12 LEU 31 2.415 -1.728 -3.189 240 HD13 LEU 31 HD13 LEU 31 3.423 -1.755 -4.631 241 HD21 LEU 31 HD21 LEU 31 4.624 -5.231 -4.260 242 HD22 LEU 31 HD22 LEU 31 5.548 -3.822 -3.730 243 HD23 LEU 31 HD23 LEU 31 4.674 -3.785 -5.266 244 H SER 32 H SER 32 5.106 -6.889 -0.813 245 HA SER 32 HA SER 32 4.013 -7.012 1.904 246 HB2 SER 32 HB2 SER 32 6.650 -8.042 0.759 247 HB3 SER 32 HB3 SER 32 6.134 -8.259 2.435 248 HG SER 32 HG SER 32 4.521 -9.092 0.270 249 H PHE 33 H PHE 33 4.961 -5.922 3.677 250 HA PHE 33 HA PHE 33 7.058 -4.055 3.494 251 HB2 PHE 33 HB2 PHE 33 5.701 -1.930 3.652 252 HB3 PHE 33 HB3 PHE 33 5.671 -2.704 2.083 253 HD1 PHE 33 HD1 PHE 33 3.623 -2.167 5.182 254 HD2 PHE 33 HD2 PHE 33 3.591 -3.279 1.044 255 HE1 PHE 33 HE1 PHE 33 1.170 -1.952 5.136 256 HE2 PHE 33 HE2 PHE 33 1.137 -3.061 1.017 257 HZ PHE 33 HZ PHE 33 -0.066 -2.387 3.059 258 H GLU 34 H GLU 34 7.215 -2.667 5.356 259 HA GLU 34 HA GLU 34 5.864 -3.666 7.795 260 HB2 GLU 34 HB2 GLU 34 8.634 -2.390 7.507 261 HB3 GLU 34 HB3 GLU 34 7.914 -2.931 9.019 262 HG2 GLU 34 HG2 GLU 34 8.783 -4.673 6.692 263 HG3 GLU 34 HG3 GLU 34 9.559 -4.550 8.271 264 H ILE 35 H ILE 35 6.001 -1.894 9.560 265 HA ILE 35 HA ILE 35 4.446 0.349 8.794 266 HB ILE 35 HB ILE 35 5.964 -0.104 11.409 267 HG12 ILE 35 HG12 ILE 35 3.061 -0.778 10.730 268 HG13 ILE 35 HG13 ILE 35 4.365 -1.951 10.849 269 HG21 ILE 35 HG21 ILE 35 5.288 2.260 11.138 270 HG22 ILE 35 HG22 ILE 35 4.362 1.494 12.427 271 HG23 ILE 35 HG23 ILE 35 3.620 1.763 10.848 272 HD11 ILE 35 HD11 ILE 35 3.257 -0.274 13.098 273 HD12 ILE 35 HD12 ILE 35 4.627 -1.381 13.232 274 HD13 ILE 35 HD13 ILE 35 3.026 -2.004 12.834 275 H GLY 36 H GLY 36 5.014 2.349 8.171 276 HA2 GLY 36 HA2 GLY 36 6.381 4.320 8.378 277 HA3 GLY 36 HA3 GLY 36 7.806 3.292 8.416 278 H ALA 37 H ALA 37 6.514 1.589 6.245 279 HA ALA 37 HA ALA 37 7.950 2.501 4.073 280 HB1 ALA 37 HB1 ALA 37 5.564 0.609 4.088 281 HB2 ALA 37 HB2 ALA 37 7.244 0.150 4.372 282 HB3 ALA 37 HB3 ALA 37 6.754 0.756 2.789 283 H ILE 38 H ILE 38 7.606 4.278 2.952 284 HA ILE 38 HA ILE 38 4.963 5.449 2.542 285 HB ILE 38 HB ILE 38 7.619 6.423 1.383 286 HG12 ILE 38 HG12 ILE 38 7.786 6.334 3.872 287 HG13 ILE 38 HG13 ILE 38 7.794 7.994 3.286 288 HG21 ILE 38 HG21 ILE 38 4.973 7.864 1.823 289 HG22 ILE 38 HG22 ILE 38 5.639 7.348 0.271 290 HG23 ILE 38 HG23 ILE 38 6.453 8.605 1.203 291 HD11 ILE 38 HD11 ILE 38 6.471 7.746 5.301 292 HD12 ILE 38 HD12 ILE 38 5.441 6.559 4.502 293 HD13 ILE 38 HD13 ILE 38 5.456 8.234 3.944 294 H PHE 39 H PHE 39 3.869 5.497 0.572 295 HA PHE 39 HA PHE 39 4.969 3.934 -1.705 296 HB2 PHE 39 HB2 PHE 39 2.016 4.204 -0.966 297 HB3 PHE 39 HB3 PHE 39 2.714 3.139 -2.184 298 HD1 PHE 39 HD1 PHE 39 3.940 1.091 -1.496 299 HD2 PHE 39 HD2 PHE 39 2.062 3.631 1.386 300 HE1 PHE 39 HE1 PHE 39 4.153 -0.658 0.218 301 HE2 PHE 39 HE2 PHE 39 2.290 1.876 3.080 302 HZ PHE 39 HZ PHE 39 3.335 -0.258 2.500 303 H GLU 40 H GLU 40 4.849 4.885 -3.709 304 HA GLU 40 HA GLU 40 3.974 7.691 -3.821 305 HB2 GLU 40 HB2 GLU 40 5.808 6.161 -5.720 306 HB3 GLU 40 HB3 GLU 40 5.492 7.893 -5.743 307 HG2 GLU 40 HG2 GLU 40 6.964 6.334 -3.607 308 HG3 GLU 40 HG3 GLU 40 7.651 7.497 -4.741 309 H ASP 41 H ASP 41 2.515 8.395 -5.240 310 HA ASP 41 HA ASP 41 0.529 8.396 -6.293 311 HB2 ASP 41 HB2 ASP 41 2.005 8.207 -8.255 312 HB3 ASP 41 HB3 ASP 41 1.965 6.450 -8.137 313 H VAL 42 H VAL 42 -0.204 7.273 -4.277 314 HA VAL 42 HA VAL 42 -1.113 4.524 -4.539 315 HB VAL 42 HB VAL 42 -1.844 6.549 -2.377 316 HG11 VAL 42 HG11 VAL 42 -1.883 3.506 -2.355 317 HG12 VAL 42 HG12 VAL 42 -3.293 4.568 -2.391 318 HG13 VAL 42 HG13 VAL 42 -2.246 4.550 -0.973 319 HG21 VAL 42 HG21 VAL 42 0.032 5.654 -1.064 320 HG22 VAL 42 HG22 VAL 42 0.602 6.382 -2.563 321 HG23 VAL 42 HG23 VAL 42 0.507 4.626 -2.421 322 H GLN 43 H GLN 43 -2.974 3.984 -5.512 323 HA GLN 43 HA GLN 43 -5.225 5.870 -5.692 324 HB2 GLN 43 HB2 GLN 43 -4.096 4.347 -8.099 325 HB3 GLN 43 HB3 GLN 43 -5.584 5.288 -8.095 326 HG2 GLN 43 HG2 GLN 43 -4.194 7.332 -7.579 327 HG3 GLN 43 HG3 GLN 43 -2.756 6.341 -7.804 328 HE21 GLN 43 HE21 GLN 43 -2.260 5.591 -9.914 329 HE22 GLN 43 HE22 GLN 43 -2.952 6.313 -11.320 330 H THR 44 H THR 44 -7.213 4.655 -6.424 331 HA THR 44 HA THR 44 -7.596 2.356 -4.765 332 HB THR 44 HB THR 44 -9.497 3.410 -6.893 333 HG1 THR 44 HG1 THR 44 -9.350 5.172 -5.711 334 HG21 THR 44 HG21 THR 44 -11.274 2.541 -5.457 335 HG22 THR 44 HG22 THR 44 -10.079 1.996 -4.280 336 HG23 THR 44 HG23 THR 44 -10.147 1.238 -5.871 337 H SER 45 H SER 45 -7.752 0.197 -5.330 338 HA SER 45 HA SER 45 -6.866 -0.635 -8.013 339 HB2 SER 45 HB2 SER 45 -5.696 -1.607 -6.039 340 HB3 SER 45 HB3 SER 45 -7.220 -2.278 -5.457 341 HG SER 45 HG SER 45 -5.612 -3.554 -6.905 342 H ARG 46 H ARG 46 -7.928 -2.675 -8.827 343 HA ARG 46 HA ARG 46 -10.817 -2.431 -8.982 344 HB2 ARG 46 HB2 ARG 46 -10.581 -4.313 -10.648 345 HB3 ARG 46 HB3 ARG 46 -9.609 -2.892 -11.022 346 HG2 ARG 46 HG2 ARG 46 -7.676 -4.147 -9.825 347 HG3 ARG 46 HG3 ARG 46 -8.688 -5.579 -9.998 348 HD2 ARG 46 HD2 ARG 46 -8.627 -5.394 -12.417 349 HD3 ARG 46 HD3 ARG 46 -7.817 -3.826 -12.327 350 HE ARG 46 HE ARG 46 -6.622 -6.433 -12.100 351 HH11 ARG 46 HH11 ARG 46 -6.171 -3.051 -11.154 352 HH12 ARG 46 HH12 ARG 46 -4.455 -3.221 -10.968 353 HH21 ARG 46 HH21 ARG 46 -4.382 -6.601 -11.869 354 HH22 ARG 46 HH22 ARG 46 -3.454 -5.224 -11.376 355 H GLU 47 H GLU 47 -8.496 -4.340 -7.230 356 HA GLU 47 HA GLU 47 -10.349 -6.299 -6.191 357 HB2 GLU 47 HB2 GLU 47 -7.571 -5.394 -5.344 358 HB3 GLU 47 HB3 GLU 47 -8.493 -6.541 -4.388 359 HG2 GLU 47 HG2 GLU 47 -6.865 -7.660 -5.796 360 HG3 GLU 47 HG3 GLU 47 -8.511 -8.131 -6.206 361 HA PRO 48 HA PRO 48 -12.475 -3.389 -3.562 362 HB2 PRO 48 HB2 PRO 48 -13.884 -5.095 -1.933 363 HB3 PRO 48 HB3 PRO 48 -14.258 -4.902 -3.658 364 HG2 PRO 48 HG2 PRO 48 -12.660 -7.062 -2.316 365 HG3 PRO 48 HG3 PRO 48 -13.911 -7.208 -3.572 366 HD2 PRO 48 HD2 PRO 48 -11.256 -7.284 -4.176 367 HD3 PRO 48 HD3 PRO 48 -12.460 -6.609 -5.289 368 H GLY 49 H GLY 49 -11.547 -2.135 -2.055 369 HA2 GLY 49 HA2 GLY 49 -10.740 -1.461 0.019 370 HA3 GLY 49 HA3 GLY 49 -10.776 -3.130 0.564 371 H TRP 50 H TRP 50 -9.118 -2.825 -2.373 372 HA TRP 50 HA TRP 50 -6.484 -2.713 -1.022 373 HB2 TRP 50 HB2 TRP 50 -7.269 -4.086 -3.641 374 HB3 TRP 50 HB3 TRP 50 -5.610 -3.931 -3.065 375 HD1 TRP 50 HD1 TRP 50 -8.890 -5.784 -2.226 376 HE1 TRP 50 HE1 TRP 50 -8.345 -7.757 -0.657 377 HE3 TRP 50 HE3 TRP 50 -3.917 -4.924 -1.520 378 HZ2 TRP 50 HZ2 TRP 50 -6.112 -8.807 0.693 379 HZ3 TRP 50 HZ3 TRP 50 -2.637 -6.450 -0.073 380 HH2 TRP 50 HH2 TRP 50 -3.714 -8.354 1.011 381 H LEU 51 H LEU 51 -4.828 -1.576 -2.109 382 HA LEU 51 HA LEU 51 -5.635 0.517 -4.033 383 HB2 LEU 51 HB2 LEU 51 -3.686 0.840 -1.697 384 HB3 LEU 51 HB3 LEU 51 -4.088 2.080 -2.876 385 HG LEU 51 HG LEU 51 -5.949 0.924 -0.764 386 HD11 LEU 51 HD11 LEU 51 -4.802 3.719 -1.001 387 HD12 LEU 51 HD12 LEU 51 -4.290 2.481 0.147 388 HD13 LEU 51 HD13 LEU 51 -5.920 3.142 0.240 389 HD21 LEU 51 HD21 LEU 51 -7.236 1.403 -2.778 390 HD22 LEU 51 HD22 LEU 51 -6.578 3.039 -2.848 391 HD23 LEU 51 HD23 LEU 51 -7.621 2.557 -1.505 392 H GLU 52 H GLU 52 -3.864 1.178 -5.449 393 HA GLU 52 HA GLU 52 -1.527 -0.630 -5.538 394 HB2 GLU 52 HB2 GLU 52 -3.035 0.669 -7.834 395 HB3 GLU 52 HB3 GLU 52 -1.462 -0.104 -8.021 396 HG2 GLU 52 HG2 GLU 52 -2.364 -2.263 -7.420 397 HG3 GLU 52 HG3 GLU 52 -3.907 -1.544 -6.957 398 H GLY 53 H GLY 53 0.358 0.312 -5.370 399 HA2 GLY 53 HA2 GLY 53 0.912 3.097 -5.956 400 HA3 GLY 53 HA3 GLY 53 0.892 2.710 -4.229 401 H THR 54 H THR 54 3.285 3.528 -5.323 402 HA THR 54 HA THR 54 4.744 1.168 -6.308 403 HB THR 54 HB THR 54 5.727 4.057 -6.364 404 HG1 THR 54 HG1 THR 54 3.727 3.983 -7.465 405 HG21 THR 54 HG21 THR 54 6.391 1.666 -8.140 406 HG22 THR 54 HG22 THR 54 7.416 2.277 -6.834 407 HG23 THR 54 HG23 THR 54 7.098 3.272 -8.261 408 H LEU 55 H LEU 55 6.350 0.295 -5.114 409 HA LEU 55 HA LEU 55 7.422 1.596 -2.703 410 HB2 LEU 55 HB2 LEU 55 5.523 0.147 -1.985 411 HB3 LEU 55 HB3 LEU 55 6.263 -1.219 -2.798 412 HG LEU 55 HG LEU 55 8.236 -1.013 -1.202 413 HD11 LEU 55 HD11 LEU 55 7.982 0.253 0.876 414 HD12 LEU 55 HD12 LEU 55 6.462 0.937 0.295 415 HD13 LEU 55 HD13 LEU 55 7.976 1.317 -0.531 416 HD21 LEU 55 HD21 LEU 55 5.544 -1.569 0.082 417 HD22 LEU 55 HD22 LEU 55 7.117 -2.109 0.678 418 HD23 LEU 55 HD23 LEU 55 6.509 -2.706 -0.863 419 H ASN 56 H ASN 56 9.516 1.660 -3.101 420 HA ASN 56 HA ASN 56 11.677 1.141 -3.555 421 HB2 ASN 56 HB2 ASN 56 10.729 -1.763 -3.508 422 HB3 ASN 56 HB3 ASN 56 12.408 -1.242 -3.457 423 HD21 ASN 56 HD21 ASN 56 10.365 -2.598 -1.512 424 HD22 ASN 56 HD22 ASN 56 10.670 -1.779 -0.024 425 H GLY 57 H GLY 57 9.439 1.193 -5.746 426 HA2 GLY 57 HA2 GLY 57 9.944 1.667 -8.042 427 HA3 GLY 57 HA3 GLY 57 11.158 0.396 -8.025 428 H LYS 58 H LYS 58 8.293 -0.552 -6.383 429 HA LYS 58 HA LYS 58 7.247 -1.941 -8.793 430 HB2 LYS 58 HB2 LYS 58 8.601 -3.466 -7.315 431 HB3 LYS 58 HB3 LYS 58 7.489 -3.139 -6.002 432 HG2 LYS 58 HG2 LYS 58 5.630 -4.114 -7.351 433 HG3 LYS 58 HG3 LYS 58 6.789 -4.511 -8.624 434 HD2 LYS 58 HD2 LYS 58 7.971 -6.044 -7.106 435 HD3 LYS 58 HD3 LYS 58 6.909 -5.580 -5.772 436 HE2 LYS 58 HE2 LYS 58 4.973 -6.524 -6.987 437 HE3 LYS 58 HE3 LYS 58 6.034 -6.985 -8.320 438 HZ1 LYS 58 HZ1 LYS 58 7.242 -8.425 -6.767 439 HZ2 LYS 58 HZ2 LYS 58 5.612 -8.856 -6.888 440 HZ3 LYS 58 HZ3 LYS 58 6.171 -8.010 -5.540 441 H ARG 59 H ARG 59 5.081 -1.739 -9.078 442 HA ARG 59 HA ARG 59 3.393 -0.668 -6.904 443 HB2 ARG 59 HB2 ARG 59 3.274 0.531 -9.057 444 HB3 ARG 59 HB3 ARG 59 2.847 -0.959 -9.890 445 HG2 ARG 59 HG2 ARG 59 0.704 -1.047 -8.669 446 HG3 ARG 59 HG3 ARG 59 1.147 0.406 -7.767 447 HD2 ARG 59 HD2 ARG 59 0.674 0.219 -10.762 448 HD3 ARG 59 HD3 ARG 59 -0.394 0.981 -9.577 449 HE ARG 59 HE ARG 59 2.199 1.983 -10.532 450 HH11 ARG 59 HH11 ARG 59 -0.654 2.566 -8.527 451 HH12 ARG 59 HH12 ARG 59 -0.289 4.251 -8.318 452 HH21 ARG 59 HH21 ARG 59 2.667 4.159 -10.196 453 HH22 ARG 59 HH22 ARG 59 1.584 5.144 -9.264 454 H GLY 60 H GLY 60 1.515 -1.809 -6.226 455 HA2 GLY 60 HA2 GLY 60 0.476 -4.143 -7.443 456 HA3 GLY 60 HA3 GLY 60 1.595 -4.616 -6.169 457 H LEU 61 H LEU 61 -0.391 -5.608 -5.334 458 HA LEU 61 HA LEU 61 -2.547 -4.023 -4.355 459 HB2 LEU 61 HB2 LEU 61 -1.738 -6.901 -3.892 460 HB3 LEU 61 HB3 LEU 61 -3.128 -6.197 -3.092 461 HG LEU 61 HG LEU 61 -2.768 -6.524 -6.073 462 HD11 LEU 61 HD11 LEU 61 -4.613 -8.132 -5.926 463 HD12 LEU 61 HD12 LEU 61 -4.651 -7.937 -4.170 464 HD13 LEU 61 HD13 LEU 61 -3.231 -8.640 -4.953 465 HD21 LEU 61 HD21 LEU 61 -5.069 -5.681 -6.289 466 HD22 LEU 61 HD22 LEU 61 -3.986 -4.468 -5.615 467 HD23 LEU 61 HD23 LEU 61 -5.101 -5.337 -4.558 468 H ILE 62 H ILE 62 -2.455 -2.771 -2.732 469 HA ILE 62 HA ILE 62 -0.832 -3.286 -0.320 470 HB ILE 62 HB ILE 62 -1.951 -0.664 -1.450 471 HG12 ILE 62 HG12 ILE 62 0.948 -1.629 -1.485 472 HG13 ILE 62 HG13 ILE 62 -0.126 -1.583 -2.879 473 HG21 ILE 62 HG21 ILE 62 -0.601 0.485 0.237 474 HG22 ILE 62 HG22 ILE 62 -0.036 -1.061 0.866 475 HG23 ILE 62 HG23 ILE 62 -1.739 -0.627 1.004 476 HD11 ILE 62 HD11 ILE 62 0.855 0.798 -1.315 477 HD12 ILE 62 HD12 ILE 62 -0.266 0.852 -2.680 478 HD13 ILE 62 HD13 ILE 62 1.383 0.280 -2.918 479 HA PRO 63 HA PRO 63 -5.029 -3.557 1.549 480 HB2 PRO 63 HB2 PRO 63 -3.615 -3.596 4.170 481 HB3 PRO 63 HB3 PRO 63 -4.673 -4.825 3.449 482 HG2 PRO 63 HG2 PRO 63 -2.014 -5.211 3.694 483 HG3 PRO 63 HG3 PRO 63 -2.954 -5.885 2.341 484 HD2 PRO 63 HD2 PRO 63 -1.193 -3.443 2.379 485 HD3 PRO 63 HD3 PRO 63 -1.354 -4.694 1.127 486 H GLN 64 H GLN 64 -6.168 -1.765 1.649 487 HA GLN 64 HA GLN 64 -5.271 0.872 1.935 488 HB2 GLN 64 HB2 GLN 64 -7.320 0.196 0.743 489 HB3 GLN 64 HB3 GLN 64 -8.061 -0.324 2.248 490 HG2 GLN 64 HG2 GLN 64 -8.121 2.026 3.019 491 HG3 GLN 64 HG3 GLN 64 -7.362 2.529 1.507 492 HE21 GLN 64 HE21 GLN 64 -9.119 3.815 0.879 493 HE22 GLN 64 HE22 GLN 64 -10.640 3.157 0.405 494 H ASN 65 H ASN 65 -6.739 -1.317 4.244 495 HA ASN 65 HA ASN 65 -7.029 0.408 6.475 496 HB2 ASN 65 HB2 ASN 65 -8.292 -1.683 6.251 497 HB3 ASN 65 HB3 ASN 65 -6.808 -2.630 6.293 498 HD21 ASN 65 HD21 ASN 65 -5.812 -2.998 8.309 499 HD22 ASN 65 HD22 ASN 65 -6.576 -2.603 9.806 500 H TYR 66 H TYR 66 -4.287 -1.377 5.207 501 HA TYR 66 HA TYR 66 -2.724 -1.190 7.672 502 HB2 TYR 66 HB2 TYR 66 -2.128 -2.417 4.954 503 HB3 TYR 66 HB3 TYR 66 -0.887 -2.262 6.195 504 HD1 TYR 66 HD2 TYR 66 -4.218 -2.983 7.486 505 HD2 TYR 66 HD1 TYR 66 -0.681 -4.792 5.920 506 HE1 TYR 66 HE2 TYR 66 -4.898 -5.134 8.420 507 HE2 TYR 66 HE1 TYR 66 -1.372 -6.957 6.861 508 HH TYR 66 HH TYR 66 -4.534 -7.504 8.044 509 H VAL 67 H VAL 67 -3.378 0.938 5.160 510 HA VAL 67 HA VAL 67 -0.880 2.449 5.675 511 HB VAL 67 HB VAL 67 -0.792 3.218 3.373 512 HG11 VAL 67 HG11 VAL 67 0.428 1.181 3.968 513 HG12 VAL 67 HG12 VAL 67 -0.088 1.147 2.284 514 HG13 VAL 67 HG13 VAL 67 -0.955 0.192 3.492 515 HG21 VAL 67 HG21 VAL 67 -3.156 3.210 2.741 516 HG22 VAL 67 HG22 VAL 67 -3.212 1.447 2.811 517 HG23 VAL 67 HG23 VAL 67 -2.237 2.253 1.577 518 H LYS 68 H LYS 68 -1.055 4.733 5.556 519 HA LYS 68 HA LYS 68 -3.794 5.836 5.761 520 HB2 LYS 68 HB2 LYS 68 -2.632 5.389 8.025 521 HB3 LYS 68 HB3 LYS 68 -1.478 6.642 7.584 522 HG2 LYS 68 HG2 LYS 68 -3.319 8.285 7.458 523 HG3 LYS 68 HG3 LYS 68 -4.475 7.022 7.898 524 HD2 LYS 68 HD2 LYS 68 -3.311 6.749 10.092 525 HD3 LYS 68 HD3 LYS 68 -2.182 8.033 9.640 526 HE2 LYS 68 HE2 LYS 68 -4.052 9.633 9.517 527 HE3 LYS 68 HE3 LYS 68 -5.185 8.356 9.953 528 HZ1 LYS 68 HZ1 LYS 68 -3.006 9.433 11.657 529 HZ2 LYS 68 HZ2 LYS 68 -4.006 8.145 12.085 530 HZ3 LYS 68 HZ3 LYS 68 -4.663 9.685 11.865 531 H LEU 69 H LEU 69 -4.006 7.258 4.151 532 HA LEU 69 HA LEU 69 -1.947 8.171 2.482 533 HB2 LEU 69 HB2 LEU 69 -4.702 9.418 2.833 534 HB3 LEU 69 HB3 LEU 69 -3.631 9.660 1.464 535 HG LEU 69 HG LEU 69 -5.058 7.076 2.199 536 HD11 LEU 69 HD11 LEU 69 -6.550 8.758 1.261 537 HD12 LEU 69 HD12 LEU 69 -6.317 7.442 0.115 538 HD13 LEU 69 HD13 LEU 69 -5.482 8.979 -0.128 539 HD21 LEU 69 HD21 LEU 69 -4.172 6.156 0.080 540 HD22 LEU 69 HD22 LEU 69 -2.898 6.507 1.240 541 HD23 LEU 69 HD23 LEU 69 -3.169 7.600 -0.122 542 H LEU 70 H LEU 70 -0.440 9.664 2.840 543 HA LEU 70 HA LEU 70 -0.399 11.389 5.093 544 HB2 LEU 70 HB2 LEU 70 1.344 11.409 2.596 545 HB3 LEU 70 HB3 LEU 70 1.689 12.301 4.071 546 HG LEU 70 HG LEU 70 1.614 9.264 3.812 547 HD11 LEU 70 HD11 LEU 70 3.998 11.096 4.198 548 HD12 LEU 70 HD12 LEU 70 3.575 10.234 2.716 549 HD13 LEU 70 HD13 LEU 70 4.029 9.330 4.158 550 HD21 LEU 70 HD21 LEU 70 0.872 9.929 6.035 551 HD22 LEU 70 HD22 LEU 70 2.285 10.967 6.235 552 HD23 LEU 70 HD23 LEU 70 2.481 9.217 6.122 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -24.054 7.740 -5.791 2 H2 MET 1 H2 MET 1 -24.369 9.396 -5.804 3 H3 MET 1 H3 MET 1 -24.783 8.471 -4.454 4 HA MET 1 HA MET 1 -22.799 9.781 -4.070 5 HB2 MET 1 HB2 MET 1 -22.464 6.758 -4.146 6 HB3 MET 1 HB3 MET 1 -21.276 7.818 -3.395 7 HG2 MET 1 HG2 MET 1 -22.749 6.860 -1.712 8 HG3 MET 1 HG3 MET 1 -22.988 8.605 -1.812 9 HE1 MET 1 HE1 MET 1 -25.019 6.627 -0.319 10 HE2 MET 1 HE2 MET 1 -26.573 7.240 -0.878 11 HE3 MET 1 HE3 MET 1 -25.298 8.369 -0.423 12 H GLY 2 H GLY 2 -20.548 10.108 -4.503 13 HA2 GLY 2 HA2 GLY 2 -19.378 9.083 -6.978 14 HA3 GLY 2 HA3 GLY 2 -19.724 10.809 -6.948 15 H HIS 3 H HIS 3 -17.238 8.896 -6.764 16 HA HIS 3 HA HIS 3 -15.868 9.566 -4.360 17 HB2 HIS 3 HB2 HIS 3 -14.725 8.672 -7.046 18 HB3 HIS 3 HB3 HIS 3 -13.820 8.736 -5.535 19 HD1 HIS 3 HD1 HIS 3 -14.853 7.101 -3.575 20 HD2 HIS 3 HD2 HIS 3 -15.908 6.246 -7.501 21 HE1 HIS 3 HE1 HIS 3 -15.658 4.725 -3.554 22 HE2 HIS 3 HE2 HIS 3 -16.154 4.189 -5.960 23 H HIS 4 H HIS 4 -16.329 11.199 -7.367 24 HA HIS 4 HA HIS 4 -14.252 13.032 -7.491 25 HB2 HIS 4 HB2 HIS 4 -15.773 12.731 -9.364 26 HB3 HIS 4 HB3 HIS 4 -17.150 13.283 -8.416 27 HD1 HIS 4 HD1 HIS 4 -17.564 15.781 -8.309 28 HD2 HIS 4 HD2 HIS 4 -13.971 14.847 -10.180 29 HE1 HIS 4 HE1 HIS 4 -16.760 17.920 -9.324 30 HE2 HIS 4 HE2 HIS 4 -14.551 17.356 -10.369 31 H HIS 5 H HIS 5 -17.312 13.210 -5.719 32 HA HIS 5 HA HIS 5 -18.119 14.459 -4.037 33 HB2 HIS 5 HB2 HIS 5 -15.445 15.902 -3.973 34 HB3 HIS 5 HB3 HIS 5 -16.774 16.264 -2.883 35 HD1 HIS 5 HD1 HIS 5 -14.346 13.495 -3.711 36 HD2 HIS 5 HD2 HIS 5 -16.941 14.619 -0.669 37 HE1 HIS 5 HE1 HIS 5 -13.873 11.937 -1.801 38 HE2 HIS 5 HE2 HIS 5 -15.322 12.756 0.079 39 H HIS 6 H HIS 6 -19.563 16.034 -4.053 40 HA HIS 6 HA HIS 6 -19.898 17.740 -6.383 41 HB2 HIS 6 HB2 HIS 6 -21.817 16.505 -5.424 42 HB3 HIS 6 HB3 HIS 6 -21.591 17.296 -3.872 43 HD1 HIS 6 HD1 HIS 6 -22.622 19.593 -3.549 44 HD2 HIS 6 HD2 HIS 6 -22.989 18.172 -7.449 45 HE1 HIS 6 HE1 HIS 6 -24.276 21.107 -4.674 46 HE2 HIS 6 HE2 HIS 6 -24.396 20.299 -7.051 47 H HIS 7 H HIS 7 -18.404 19.391 -6.305 48 HA HIS 7 HA HIS 7 -17.169 21.182 -5.712 49 HB2 HIS 7 HB2 HIS 7 -19.159 21.660 -3.455 50 HB3 HIS 7 HB3 HIS 7 -17.946 22.804 -4.012 51 HD1 HIS 7 HD1 HIS 7 -18.366 23.867 -6.422 52 HD2 HIS 7 HD2 HIS 7 -21.551 21.726 -4.823 53 HE1 HIS 7 HE1 HIS 7 -20.375 24.533 -7.776 54 HE2 HIS 7 HE2 HIS 7 -22.261 23.154 -6.853 55 H HIS 8 H HIS 8 -15.784 22.111 -3.806 56 HA HIS 8 HA HIS 8 -13.922 21.697 -2.569 57 HB2 HIS 8 HB2 HIS 8 -15.734 21.458 -0.790 58 HB3 HIS 8 HB3 HIS 8 -15.694 19.717 -1.036 59 HD1 HIS 8 HD1 HIS 8 -13.468 22.547 0.212 60 HD2 HIS 8 HD2 HIS 8 -13.779 18.407 0.493 61 HE1 HIS 8 HE1 HIS 8 -11.779 21.853 1.937 62 HE2 HIS 8 HE2 HIS 8 -11.910 19.342 2.002 63 H SER 9 H SER 9 -14.288 20.214 -5.000 64 HA SER 9 HA SER 9 -13.617 17.437 -4.644 65 HB2 SER 9 HB2 SER 9 -15.150 18.156 -6.444 66 HB3 SER 9 HB3 SER 9 -13.869 19.126 -7.170 67 HG SER 9 HG SER 9 -13.493 16.372 -6.709 68 H HIS 10 H HIS 10 -11.648 17.616 -3.540 69 HA HIS 10 HA HIS 10 -9.309 18.908 -4.498 70 HB2 HIS 10 HB2 HIS 10 -9.528 18.314 -2.134 71 HB3 HIS 10 HB3 HIS 10 -9.689 16.606 -2.529 72 HD1 HIS 10 HD1 HIS 10 -7.582 15.269 -2.488 73 HD2 HIS 10 HD2 HIS 10 -6.834 19.348 -2.827 74 HE1 HIS 10 HE1 HIS 10 -5.077 15.508 -2.467 75 HE2 HIS 10 HE2 HIS 10 -4.654 17.955 -2.849 76 H MET 11 H MET 11 -8.453 18.415 -6.374 77 HA MET 11 HA MET 11 -8.705 15.955 -7.785 78 HB2 MET 11 HB2 MET 11 -6.812 18.293 -8.303 79 HB3 MET 11 HB3 MET 11 -7.230 17.032 -9.450 80 HG2 MET 11 HG2 MET 11 -9.328 18.883 -8.326 81 HG3 MET 11 HG3 MET 11 -8.344 19.331 -9.713 82 HE1 MET 11 HE1 MET 11 -11.518 17.513 -8.502 83 HE2 MET 11 HE2 MET 11 -10.499 16.073 -8.535 84 HE3 MET 11 HE3 MET 11 -11.795 16.265 -9.715 85 H ILE 12 H ILE 12 -7.796 14.234 -6.800 86 HA ILE 12 HA ILE 12 -5.049 14.199 -5.819 87 HB ILE 12 HB ILE 12 -7.089 11.916 -5.997 88 HG12 ILE 12 HG12 ILE 12 -6.262 13.580 -3.572 89 HG13 ILE 12 HG13 ILE 12 -7.817 13.662 -4.391 90 HG21 ILE 12 HG21 ILE 12 -4.409 11.987 -4.558 91 HG22 ILE 12 HG22 ILE 12 -4.768 11.084 -6.031 92 HG23 ILE 12 HG23 ILE 12 -5.567 10.655 -4.519 93 HD11 ILE 12 HD11 ILE 12 -8.011 12.411 -2.348 94 HD12 ILE 12 HD12 ILE 12 -6.734 11.304 -2.848 95 HD13 ILE 12 HD13 ILE 12 -8.270 11.335 -3.719 96 H ARG 13 H ARG 13 -3.516 14.044 -7.350 97 HA ARG 13 HA ARG 13 -3.716 11.904 -9.398 98 HB2 ARG 13 HB2 ARG 13 -3.713 14.208 -10.456 99 HB3 ARG 13 HB3 ARG 13 -2.167 14.535 -9.682 100 HG2 ARG 13 HG2 ARG 13 -1.376 12.360 -10.959 101 HG3 ARG 13 HG3 ARG 13 -2.797 12.648 -11.960 102 HD2 ARG 13 HD2 ARG 13 -0.925 13.651 -13.066 103 HD3 ARG 13 HD3 ARG 13 -1.893 14.977 -12.410 104 HE ARG 13 HE ARG 13 0.106 14.227 -10.547 105 HH11 ARG 13 HH11 ARG 13 -0.174 15.913 -13.635 106 HH12 ARG 13 HH12 ARG 13 1.251 16.867 -13.373 107 HH21 ARG 13 HH21 ARG 13 2.000 15.457 -10.247 108 HH22 ARG 13 HH22 ARG 13 2.482 16.608 -11.452 109 H SER 14 H SER 14 -2.381 10.320 -8.700 110 HA SER 14 HA SER 14 -0.691 9.142 -7.777 111 HB2 SER 14 HB2 SER 14 0.656 10.239 -9.512 112 HB3 SER 14 HB3 SER 14 0.933 11.632 -8.468 113 HG SER 14 HG SER 14 2.272 10.442 -7.226 114 H ARG 15 H ARG 15 -1.711 9.107 -5.705 115 HA ARG 15 HA ARG 15 -1.141 11.165 -3.742 116 HB2 ARG 15 HB2 ARG 15 -3.352 9.948 -3.896 117 HB3 ARG 15 HB3 ARG 15 -2.552 8.509 -3.279 118 HG2 ARG 15 HG2 ARG 15 -2.131 9.542 -1.157 119 HG3 ARG 15 HG3 ARG 15 -2.561 11.137 -1.765 120 HD2 ARG 15 HD2 ARG 15 -4.899 10.343 -2.041 121 HD3 ARG 15 HD3 ARG 15 -4.432 8.808 -1.290 122 HE ARG 15 HE ARG 15 -3.633 10.824 0.448 123 HH11 ARG 15 HH11 ARG 15 -6.700 9.604 -0.822 124 HH12 ARG 15 HH12 ARG 15 -7.597 10.095 0.583 125 HH21 ARG 15 HH21 ARG 15 -4.809 11.480 2.254 126 HH22 ARG 15 HH22 ARG 15 -6.517 11.161 2.330 127 H LYS 16 H LYS 16 -0.292 10.568 -1.558 128 HA LYS 16 HA LYS 16 1.795 8.482 -1.589 129 HB2 LYS 16 HB2 LYS 16 1.502 10.892 0.255 130 HB3 LYS 16 HB3 LYS 16 2.812 9.714 0.301 131 HG2 LYS 16 HG2 LYS 16 3.651 10.440 -1.832 132 HG3 LYS 16 HG3 LYS 16 2.238 11.468 -2.097 133 HD2 LYS 16 HD2 LYS 16 4.136 12.850 -1.433 134 HD3 LYS 16 HD3 LYS 16 2.908 12.877 -0.166 135 HE2 LYS 16 HE2 LYS 16 5.107 12.692 0.837 136 HE3 LYS 16 HE3 LYS 16 4.241 11.174 1.091 137 HZ1 LYS 16 HZ1 LYS 16 6.430 11.734 -0.825 138 HZ2 LYS 16 HZ2 LYS 16 5.430 10.386 -0.991 139 HZ3 LYS 16 HZ3 LYS 16 6.379 10.561 0.393 140 H ALA 17 H ALA 17 1.910 7.102 0.185 141 HA ALA 17 HA ALA 17 -0.191 7.182 2.259 142 HB1 ALA 17 HB1 ALA 17 -1.009 5.554 0.578 143 HB2 ALA 17 HB2 ALA 17 -0.576 4.745 2.088 144 HB3 ALA 17 HB3 ALA 17 0.509 4.659 0.695 145 H ARG 18 H ARG 18 0.407 5.817 4.112 146 HA ARG 18 HA ARG 18 3.287 5.195 4.379 147 HB2 ARG 18 HB2 ARG 18 2.944 7.419 5.405 148 HB3 ARG 18 HB3 ARG 18 1.591 6.806 6.352 149 HG2 ARG 18 HG2 ARG 18 3.176 5.275 7.549 150 HG3 ARG 18 HG3 ARG 18 4.506 5.998 6.641 151 HD2 ARG 18 HD2 ARG 18 4.036 8.182 7.656 152 HD3 ARG 18 HD3 ARG 18 2.654 7.504 8.524 153 HE ARG 18 HE ARG 18 5.499 7.071 9.093 154 HH11 ARG 18 HH11 ARG 18 2.166 6.345 9.950 155 HH12 ARG 18 HH12 ARG 18 2.581 5.704 11.506 156 HH21 ARG 18 HH21 ARG 18 6.041 6.220 11.117 157 HH22 ARG 18 HH22 ARG 18 4.788 5.632 12.171 158 H ALA 19 H ALA 19 3.394 3.117 4.912 159 HA ALA 19 HA ALA 19 1.310 1.499 5.868 160 HB1 ALA 19 HB1 ALA 19 4.313 1.084 6.061 161 HB2 ALA 19 HB2 ALA 19 3.282 0.589 4.717 162 HB3 ALA 19 HB3 ALA 19 3.087 -0.167 6.301 163 H VAL 20 H VAL 20 0.418 1.507 7.817 164 HA VAL 20 HA VAL 20 1.884 2.546 10.164 165 HB VAL 20 HB VAL 20 -0.404 2.768 11.218 166 HG11 VAL 20 HG11 VAL 20 -1.011 4.820 10.002 167 HG12 VAL 20 HG12 VAL 20 0.009 4.338 8.644 168 HG13 VAL 20 HG13 VAL 20 0.738 4.702 10.211 169 HG21 VAL 20 HG21 VAL 20 -2.418 2.713 9.783 170 HG22 VAL 20 HG22 VAL 20 -1.644 1.127 9.841 171 HG23 VAL 20 HG23 VAL 20 -1.442 2.152 8.418 172 H TYR 21 H TYR 21 0.762 -0.377 8.767 173 HA TYR 21 HA TYR 21 1.540 -1.821 11.234 174 HB2 TYR 21 HB2 TYR 21 -0.584 -2.872 9.310 175 HB3 TYR 21 HB3 TYR 21 -0.139 -3.534 10.876 176 HD1 TYR 21 HD2 TYR 21 -0.369 -1.271 12.734 177 HD2 TYR 21 HD1 TYR 21 -2.804 -2.256 9.382 178 HE1 TYR 21 HE2 TYR 21 -2.265 -0.048 13.739 179 HE2 TYR 21 HE1 TYR 21 -4.689 -1.036 10.374 180 HH TYR 21 HH TYR 21 -4.384 1.129 12.853 181 HA PRO 22 HA PRO 22 4.142 -3.976 8.169 182 HB2 PRO 22 HB2 PRO 22 5.083 -6.031 9.624 183 HB3 PRO 22 HB3 PRO 22 5.587 -4.366 9.954 184 HG2 PRO 22 HG2 PRO 22 3.554 -6.029 11.409 185 HG3 PRO 22 HG3 PRO 22 4.802 -4.952 12.076 186 HD2 PRO 22 HD2 PRO 22 2.156 -4.209 11.765 187 HD3 PRO 22 HD3 PRO 22 3.509 -3.055 11.778 188 H CYS 23 H CYS 23 2.968 -4.860 6.587 189 HA CYS 23 HA CYS 23 1.241 -7.226 7.034 190 HB2 CYS 23 HB2 CYS 23 0.103 -5.324 5.975 191 HB3 CYS 23 HB3 CYS 23 1.315 -5.272 4.697 192 HG CYS 23 HG CYS 23 0.531 -8.094 4.052 193 H GLU 24 H GLU 24 1.963 -9.128 6.367 194 HA GLU 24 HA GLU 24 4.195 -9.391 4.480 195 HB2 GLU 24 HB2 GLU 24 2.691 -11.472 6.133 196 HB3 GLU 24 HB3 GLU 24 4.067 -11.822 5.088 197 HG2 GLU 24 HG2 GLU 24 5.515 -10.413 6.481 198 HG3 GLU 24 HG3 GLU 24 4.145 -9.983 7.500 199 H ALA 25 H ALA 25 3.938 -10.122 2.425 200 HA ALA 25 HA ALA 25 1.251 -10.270 1.296 201 HB1 ALA 25 HB1 ALA 25 2.971 -8.953 0.127 202 HB2 ALA 25 HB2 ALA 25 2.411 -10.286 -0.882 203 HB3 ALA 25 HB3 ALA 25 3.971 -10.394 -0.064 204 H GLU 26 H GLU 26 0.213 -12.144 1.168 205 HA GLU 26 HA GLU 26 1.462 -14.746 1.333 206 HB2 GLU 26 HB2 GLU 26 -1.417 -13.977 0.660 207 HB3 GLU 26 HB3 GLU 26 -0.855 -15.613 1.006 208 HG2 GLU 26 HG2 GLU 26 -0.243 -14.904 3.302 209 HG3 GLU 26 HG3 GLU 26 -0.826 -13.282 2.945 210 H HIS 27 H HIS 27 0.292 -12.640 -1.180 211 HA HIS 27 HA HIS 27 0.975 -14.583 -3.322 212 HB2 HIS 27 HB2 HIS 27 -0.993 -12.242 -3.444 213 HB3 HIS 27 HB3 HIS 27 -0.658 -13.383 -4.747 214 HD2 HIS 27 HD2 HIS 27 -2.711 -13.132 -1.448 215 HE1 HIS 27 HE1 HIS 27 -3.580 -16.835 -3.284 216 HE2 HIS 27 HE2 HIS 27 -4.318 -15.154 -1.542 217 H SER 28 H SER 28 2.211 -13.800 -5.067 218 HA SER 28 HA SER 28 4.139 -11.785 -4.561 219 HB2 SER 28 HB2 SER 28 3.396 -13.069 -7.227 220 HB3 SER 28 HB3 SER 28 4.880 -12.184 -6.886 221 HG SER 28 HG SER 28 4.620 -14.073 -5.027 222 H SER 29 H SER 29 0.984 -11.676 -5.977 223 HA SER 29 HA SER 29 1.034 -9.267 -7.438 224 HB2 SER 29 HB2 SER 29 -0.802 -10.943 -7.575 225 HB3 SER 29 HB3 SER 29 -1.277 -10.575 -5.918 226 HG SER 29 HG SER 29 -1.171 -8.306 -7.369 227 H GLU 30 H GLU 30 0.565 -9.982 -4.030 228 HA GLU 30 HA GLU 30 -0.242 -7.317 -3.244 229 HB2 GLU 30 HB2 GLU 30 0.625 -9.612 -1.432 230 HB3 GLU 30 HB3 GLU 30 -0.378 -8.230 -1.001 231 HG2 GLU 30 HG2 GLU 30 -2.168 -9.073 -2.454 232 HG3 GLU 30 HG3 GLU 30 -1.156 -10.446 -2.901 233 H LEU 31 H LEU 31 1.006 -5.880 -2.021 234 HA LEU 31 HA LEU 31 3.920 -6.264 -2.056 235 HB2 LEU 31 HB2 LEU 31 2.261 -3.788 -1.437 236 HB3 LEU 31 HB3 LEU 31 4.018 -3.845 -1.363 237 HG LEU 31 HG LEU 31 2.331 -4.264 -3.843 238 HD11 LEU 31 HD11 LEU 31 4.141 -1.947 -3.104 239 HD12 LEU 31 HD12 LEU 31 2.375 -1.923 -3.156 240 HD13 LEU 31 HD13 LEU 31 3.292 -2.153 -4.639 241 HD21 LEU 31 HD21 LEU 31 4.325 -5.649 -3.978 242 HD22 LEU 31 HD22 LEU 31 5.350 -4.259 -3.610 243 HD23 LEU 31 HD23 LEU 31 4.426 -4.306 -5.115 244 H SER 32 H SER 32 5.001 -6.771 -0.354 245 HA SER 32 HA SER 32 3.853 -6.831 2.351 246 HB2 SER 32 HB2 SER 32 6.078 -7.985 2.889 247 HB3 SER 32 HB3 SER 32 5.051 -8.845 1.745 248 HG SER 32 HG SER 32 6.400 -8.350 0.117 249 H PHE 33 H PHE 33 4.825 -5.607 4.086 250 HA PHE 33 HA PHE 33 6.819 -3.624 3.671 251 HB2 PHE 33 HB2 PHE 33 5.241 -1.613 3.866 252 HB3 PHE 33 HB3 PHE 33 5.281 -2.431 2.315 253 HD1 PHE 33 HD1 PHE 33 3.258 -2.081 5.438 254 HD2 PHE 33 HD2 PHE 33 3.279 -3.281 1.335 255 HE1 PHE 33 HE1 PHE 33 0.807 -2.221 5.459 256 HE2 PHE 33 HE2 PHE 33 0.822 -3.427 1.370 257 HZ PHE 33 HZ PHE 33 -0.415 -2.890 3.429 258 H GLU 34 H GLU 34 6.897 -2.024 5.460 259 HA GLU 34 HA GLU 34 5.898 -3.059 8.057 260 HB2 GLU 34 HB2 GLU 34 8.708 -2.026 7.448 261 HB3 GLU 34 HB3 GLU 34 8.122 -2.506 9.035 262 HG2 GLU 34 HG2 GLU 34 7.953 -4.821 8.352 263 HG3 GLU 34 HG3 GLU 34 8.313 -4.404 6.678 264 H ILE 35 H ILE 35 6.134 -1.310 9.814 265 HA ILE 35 HA ILE 35 4.704 1.003 9.094 266 HB ILE 35 HB ILE 35 6.396 0.662 11.614 267 HG12 ILE 35 HG12 ILE 35 3.451 0.013 11.164 268 HG13 ILE 35 HG13 ILE 35 4.736 -1.177 11.319 269 HG21 ILE 35 HG21 ILE 35 4.056 2.547 11.073 270 HG22 ILE 35 HG22 ILE 35 5.747 3.023 11.229 271 HG23 ILE 35 HG23 ILE 35 4.886 2.369 12.622 272 HD11 ILE 35 HD11 ILE 35 3.825 0.735 13.464 273 HD12 ILE 35 HD12 ILE 35 5.137 -0.438 13.619 274 HD13 ILE 35 HD13 ILE 35 3.483 -0.992 13.366 275 H GLY 36 H GLY 36 5.311 2.811 8.117 276 HA2 GLY 36 HA2 GLY 36 6.697 4.792 8.024 277 HA3 GLY 36 HA3 GLY 36 8.118 3.793 8.293 278 H ALA 37 H ALA 37 6.447 1.932 6.271 279 HA ALA 37 HA ALA 37 7.964 2.510 3.954 280 HB1 ALA 37 HB1 ALA 37 7.155 0.224 4.473 281 HB2 ALA 37 HB2 ALA 37 6.640 0.739 2.865 282 HB3 ALA 37 HB3 ALA 37 5.492 0.750 4.204 283 H ILE 38 H ILE 38 7.630 4.486 3.045 284 HA ILE 38 HA ILE 38 4.963 5.554 2.586 285 HB ILE 38 HB ILE 38 7.617 6.669 1.544 286 HG12 ILE 38 HG12 ILE 38 7.630 6.545 4.028 287 HG13 ILE 38 HG13 ILE 38 7.585 8.214 3.476 288 HG21 ILE 38 HG21 ILE 38 4.890 8.000 1.836 289 HG22 ILE 38 HG22 ILE 38 5.666 7.539 0.320 290 HG23 ILE 38 HG23 ILE 38 6.375 8.809 1.320 291 HD11 ILE 38 HD11 ILE 38 6.140 7.878 5.378 292 HD12 ILE 38 HD12 ILE 38 5.250 6.621 4.526 293 HD13 ILE 38 HD13 ILE 38 5.177 8.294 3.962 294 H PHE 39 H PHE 39 3.828 5.442 0.735 295 HA PHE 39 HA PHE 39 4.979 4.035 -1.609 296 HB2 PHE 39 HB2 PHE 39 2.028 4.241 -0.837 297 HB3 PHE 39 HB3 PHE 39 2.731 3.224 -2.092 298 HD1 PHE 39 HD1 PHE 39 4.024 1.180 -1.475 299 HD2 PHE 39 HD2 PHE 39 2.060 3.568 1.483 300 HE1 PHE 39 HE1 PHE 39 4.244 -0.643 0.165 301 HE2 PHE 39 HE2 PHE 39 2.287 1.741 3.103 302 HZ PHE 39 HZ PHE 39 3.378 -0.354 2.448 303 H GLU 40 H GLU 40 4.947 5.124 -3.522 304 HA GLU 40 HA GLU 40 3.554 7.732 -3.698 305 HB2 GLU 40 HB2 GLU 40 5.703 6.569 -5.530 306 HB3 GLU 40 HB3 GLU 40 4.991 8.173 -5.673 307 HG2 GLU 40 HG2 GLU 40 6.807 7.139 -3.487 308 HG3 GLU 40 HG3 GLU 40 7.138 8.418 -4.655 309 H ASP 41 H ASP 41 2.390 8.209 -5.691 310 HA ASP 41 HA ASP 41 1.059 7.867 -7.506 311 HB2 ASP 41 HB2 ASP 41 3.067 6.762 -8.472 312 HB3 ASP 41 HB3 ASP 41 2.593 5.237 -7.746 313 H VAL 42 H VAL 42 0.289 7.053 -4.798 314 HA VAL 42 HA VAL 42 -1.097 4.564 -4.847 315 HB VAL 42 HB VAL 42 -1.562 6.827 -2.862 316 HG11 VAL 42 HG11 VAL 42 -2.105 3.838 -2.668 317 HG12 VAL 42 HG12 VAL 42 -3.313 5.120 -2.770 318 HG13 VAL 42 HG13 VAL 42 -2.286 4.991 -1.342 319 HG21 VAL 42 HG21 VAL 42 0.831 6.252 -2.961 320 HG22 VAL 42 HG22 VAL 42 0.439 4.550 -2.689 321 HG23 VAL 42 HG23 VAL 42 0.112 5.745 -1.431 322 H GLN 43 H GLN 43 -2.917 4.126 -5.724 323 HA GLN 43 HA GLN 43 -5.114 6.069 -6.034 324 HB2 GLN 43 HB2 GLN 43 -4.198 4.021 -8.121 325 HB3 GLN 43 HB3 GLN 43 -5.670 4.977 -8.233 326 HG2 GLN 43 HG2 GLN 43 -4.323 7.029 -8.399 327 HG3 GLN 43 HG3 GLN 43 -2.847 6.073 -8.288 328 HE21 GLN 43 HE21 GLN 43 -3.794 3.895 -9.997 329 HE22 GLN 43 HE22 GLN 43 -3.851 4.521 -11.605 330 H THR 44 H THR 44 -7.191 4.724 -6.479 331 HA THR 44 HA THR 44 -7.261 2.304 -4.808 332 HB THR 44 HB THR 44 -9.591 3.609 -6.284 333 HG1 THR 44 HG1 THR 44 -8.528 5.128 -4.874 334 HG21 THR 44 HG21 THR 44 -10.980 2.547 -4.550 335 HG22 THR 44 HG22 THR 44 -9.537 1.879 -3.781 336 HG23 THR 44 HG23 THR 44 -10.012 1.327 -5.388 337 H SER 45 H SER 45 -7.681 0.261 -5.682 338 HA SER 45 HA SER 45 -7.258 -0.072 -8.574 339 HB2 SER 45 HB2 SER 45 -6.729 -2.376 -8.073 340 HB3 SER 45 HB3 SER 45 -5.933 -1.406 -6.835 341 HG SER 45 HG SER 45 -8.006 -1.857 -5.612 342 H ARG 46 H ARG 46 -8.513 -2.164 -9.385 343 HA ARG 46 HA ARG 46 -11.308 -1.699 -9.475 344 HB2 ARG 46 HB2 ARG 46 -11.367 -4.009 -10.584 345 HB3 ARG 46 HB3 ARG 46 -10.326 -2.814 -11.349 346 HG2 ARG 46 HG2 ARG 46 -8.339 -3.847 -10.527 347 HG3 ARG 46 HG3 ARG 46 -9.234 -4.844 -9.380 348 HD2 ARG 46 HD2 ARG 46 -9.573 -5.148 -12.382 349 HD3 ARG 46 HD3 ARG 46 -8.335 -6.016 -11.466 350 HE ARG 46 HE ARG 46 -10.934 -6.319 -10.316 351 HH11 ARG 46 HH11 ARG 46 -8.847 -7.624 -12.861 352 HH12 ARG 46 HH12 ARG 46 -9.654 -9.158 -12.878 353 HH21 ARG 46 HH21 ARG 46 -11.915 -8.356 -10.326 354 HH22 ARG 46 HH22 ARG 46 -11.383 -9.571 -11.446 355 H GLU 47 H GLU 47 -9.359 -3.396 -7.202 356 HA GLU 47 HA GLU 47 -11.451 -5.229 -6.328 357 HB2 GLU 47 HB2 GLU 47 -8.526 -4.916 -5.555 358 HB3 GLU 47 HB3 GLU 47 -9.604 -6.095 -4.817 359 HG2 GLU 47 HG2 GLU 47 -8.737 -5.983 -7.710 360 HG3 GLU 47 HG3 GLU 47 -8.299 -7.194 -6.505 361 HA PRO 48 HA PRO 48 -12.982 -2.803 -2.932 362 HB2 PRO 48 HB2 PRO 48 -13.436 -5.341 -1.412 363 HB3 PRO 48 HB3 PRO 48 -14.621 -4.170 -2.029 364 HG2 PRO 48 HG2 PRO 48 -14.346 -6.593 -3.151 365 HG3 PRO 48 HG3 PRO 48 -14.720 -5.153 -4.129 366 HD2 PRO 48 HD2 PRO 48 -12.057 -6.534 -3.749 367 HD3 PRO 48 HD3 PRO 48 -12.807 -5.913 -5.238 368 H GLY 49 H GLY 49 -11.473 -1.647 -1.865 369 HA2 GLY 49 HA2 GLY 49 -10.264 -1.032 0.015 370 HA3 GLY 49 HA3 GLY 49 -10.371 -2.678 0.616 371 H TRP 50 H TRP 50 -9.232 -2.585 -2.574 372 HA TRP 50 HA TRP 50 -6.433 -2.821 -1.666 373 HB2 TRP 50 HB2 TRP 50 -7.810 -3.835 -4.187 374 HB3 TRP 50 HB3 TRP 50 -6.068 -3.911 -3.927 375 HD1 TRP 50 HD1 TRP 50 -9.313 -5.635 -2.861 376 HE1 TRP 50 HE1 TRP 50 -8.736 -7.689 -1.429 377 HE3 TRP 50 HE3 TRP 50 -4.310 -4.843 -2.329 378 HZ2 TRP 50 HZ2 TRP 50 -6.447 -8.807 -0.197 379 HZ3 TRP 50 HZ3 TRP 50 -2.993 -6.430 -0.998 380 HH2 TRP 50 HH2 TRP 50 -4.037 -8.375 0.040 381 H LEU 51 H LEU 51 -4.868 -1.549 -2.493 382 HA LEU 51 HA LEU 51 -5.617 0.725 -4.226 383 HB2 LEU 51 HB2 LEU 51 -3.489 0.663 -2.039 384 HB3 LEU 51 HB3 LEU 51 -3.994 2.065 -2.972 385 HG LEU 51 HG LEU 51 -5.671 0.602 -0.900 386 HD11 LEU 51 HD11 LEU 51 -5.420 2.634 0.448 387 HD12 LEU 51 HD12 LEU 51 -4.336 3.317 -0.768 388 HD13 LEU 51 HD13 LEU 51 -3.869 1.864 0.122 389 HD21 LEU 51 HD21 LEU 51 -7.113 1.510 -2.657 390 HD22 LEU 51 HD22 LEU 51 -6.372 3.101 -2.471 391 HD23 LEU 51 HD23 LEU 51 -7.314 2.402 -1.151 392 H GLU 52 H GLU 52 -3.845 1.426 -5.647 393 HA GLU 52 HA GLU 52 -1.627 -0.530 -5.950 394 HB2 GLU 52 HB2 GLU 52 -3.004 1.167 -8.082 395 HB3 GLU 52 HB3 GLU 52 -1.521 0.252 -8.354 396 HG2 GLU 52 HG2 GLU 52 -2.661 -1.846 -7.913 397 HG3 GLU 52 HG3 GLU 52 -4.134 -0.992 -7.461 398 H GLY 53 H GLY 53 0.289 0.257 -5.473 399 HA2 GLY 53 HA2 GLY 53 1.031 3.052 -5.765 400 HA3 GLY 53 HA3 GLY 53 0.872 2.502 -4.095 401 H THR 54 H THR 54 3.289 3.367 -5.090 402 HA THR 54 HA THR 54 4.859 1.050 -5.965 403 HB THR 54 HB THR 54 5.563 4.012 -6.200 404 HG1 THR 54 HG1 THR 54 3.592 3.587 -7.316 405 HG21 THR 54 HG21 THR 54 7.460 2.447 -6.528 406 HG22 THR 54 HG22 THR 54 7.039 3.272 -8.030 407 HG23 THR 54 HG23 THR 54 6.544 1.597 -7.776 408 H LEU 55 H LEU 55 6.220 0.215 -4.505 409 HA LEU 55 HA LEU 55 7.333 1.860 -2.304 410 HB2 LEU 55 HB2 LEU 55 5.768 0.090 -1.471 411 HB3 LEU 55 HB3 LEU 55 6.736 -1.133 -2.275 412 HG LEU 55 HG LEU 55 8.668 -0.572 -0.791 413 HD11 LEU 55 HD11 LEU 55 6.756 1.318 0.608 414 HD12 LEU 55 HD12 LEU 55 8.186 1.766 -0.328 415 HD13 LEU 55 HD13 LEU 55 8.368 0.866 1.173 416 HD21 LEU 55 HD21 LEU 55 7.799 -1.573 1.269 417 HD22 LEU 55 HD22 LEU 55 7.170 -2.400 -0.150 418 HD23 LEU 55 HD23 LEU 55 6.141 -1.273 0.738 419 H ASN 56 H ASN 56 9.408 2.270 -2.774 420 HA ASN 56 HA ASN 56 11.588 2.081 -3.377 421 HB2 ASN 56 HB2 ASN 56 11.070 -0.887 -2.900 422 HB3 ASN 56 HB3 ASN 56 12.667 -0.174 -3.103 423 HD21 ASN 56 HD21 ASN 56 11.543 -1.630 -0.829 424 HD22 ASN 56 HD22 ASN 56 11.701 -0.581 0.526 425 H GLY 57 H GLY 57 9.507 1.974 -5.484 426 HA2 GLY 57 HA2 GLY 57 9.763 2.177 -7.802 427 HA3 GLY 57 HA3 GLY 57 11.219 1.195 -7.736 428 H LYS 58 H LYS 58 8.513 -0.098 -6.056 429 HA LYS 58 HA LYS 58 7.878 -1.982 -8.257 430 HB2 LYS 58 HB2 LYS 58 9.361 -3.004 -6.498 431 HB3 LYS 58 HB3 LYS 58 8.157 -2.618 -5.293 432 HG2 LYS 58 HG2 LYS 58 6.532 -4.106 -6.496 433 HG3 LYS 58 HG3 LYS 58 7.845 -4.593 -7.574 434 HD2 LYS 58 HD2 LYS 58 9.087 -5.544 -5.681 435 HD3 LYS 58 HD3 LYS 58 7.862 -4.961 -4.549 436 HE2 LYS 58 HE2 LYS 58 7.532 -7.334 -4.955 437 HE3 LYS 58 HE3 LYS 58 6.189 -6.431 -5.644 438 HZ1 LYS 58 HZ1 LYS 58 6.914 -8.132 -7.151 439 HZ2 LYS 58 HZ2 LYS 58 8.499 -7.546 -7.137 440 HZ3 LYS 58 HZ3 LYS 58 7.264 -6.620 -7.818 441 H ARG 59 H ARG 59 5.742 -1.865 -8.729 442 HA ARG 59 HA ARG 59 3.861 -0.778 -6.711 443 HB2 ARG 59 HB2 ARG 59 4.197 0.650 -8.733 444 HB3 ARG 59 HB3 ARG 59 3.642 -0.673 -9.749 445 HG2 ARG 59 HG2 ARG 59 1.407 -0.534 -8.814 446 HG3 ARG 59 HG3 ARG 59 1.933 0.652 -7.617 447 HD2 ARG 59 HD2 ARG 59 0.728 1.747 -9.442 448 HD3 ARG 59 HD3 ARG 59 2.419 2.259 -9.431 449 HE ARG 59 HE ARG 59 2.010 0.041 -11.186 450 HH11 ARG 59 HH11 ARG 59 1.545 3.523 -11.009 451 HH12 ARG 59 HH12 ARG 59 1.607 3.744 -12.719 452 HH21 ARG 59 HH21 ARG 59 2.067 0.355 -13.459 453 HH22 ARG 59 HH22 ARG 59 1.902 1.956 -14.100 454 H GLY 60 H GLY 60 1.832 -1.742 -6.505 455 HA2 GLY 60 HA2 GLY 60 0.805 -3.940 -7.924 456 HA3 GLY 60 HA3 GLY 60 1.733 -4.555 -6.557 457 H LEU 61 H LEU 61 -0.379 -5.403 -5.861 458 HA LEU 61 HA LEU 61 -2.424 -3.557 -5.000 459 HB2 LEU 61 HB2 LEU 61 -2.053 -6.542 -4.620 460 HB3 LEU 61 HB3 LEU 61 -3.388 -5.665 -3.891 461 HG LEU 61 HG LEU 61 -2.879 -5.951 -6.863 462 HD11 LEU 61 HD11 LEU 61 -5.015 -7.195 -5.126 463 HD12 LEU 61 HD12 LEU 61 -3.612 -8.024 -5.806 464 HD13 LEU 61 HD13 LEU 61 -4.853 -7.375 -6.877 465 HD21 LEU 61 HD21 LEU 61 -5.190 -4.581 -5.455 466 HD22 LEU 61 HD22 LEU 61 -5.063 -4.871 -7.193 467 HD23 LEU 61 HD23 LEU 61 -3.925 -3.787 -6.399 468 H ILE 62 H ILE 62 -2.581 -2.637 -3.107 469 HA ILE 62 HA ILE 62 -0.877 -3.450 -0.831 470 HB ILE 62 HB ILE 62 -2.000 -0.678 -1.517 471 HG12 ILE 62 HG12 ILE 62 0.891 -1.650 -1.657 472 HG13 ILE 62 HG13 ILE 62 -0.152 -1.351 -3.042 473 HG21 ILE 62 HG21 ILE 62 -1.833 -1.027 0.923 474 HG22 ILE 62 HG22 ILE 62 -0.670 0.178 0.372 475 HG23 ILE 62 HG23 ILE 62 -0.129 -1.458 0.749 476 HD11 ILE 62 HD11 ILE 62 -0.257 1.013 -2.452 477 HD12 ILE 62 HD12 ILE 62 1.393 0.457 -2.720 478 HD13 ILE 62 HD13 ILE 62 0.812 0.716 -1.077 479 HA PRO 63 HA PRO 63 -5.017 -3.973 1.036 480 HB2 PRO 63 HB2 PRO 63 -3.658 -4.584 3.574 481 HB3 PRO 63 HB3 PRO 63 -4.631 -5.658 2.559 482 HG2 PRO 63 HG2 PRO 63 -1.926 -5.927 2.880 483 HG3 PRO 63 HG3 PRO 63 -2.813 -6.492 1.446 484 HD2 PRO 63 HD2 PRO 63 -1.147 -4.014 1.776 485 HD3 PRO 63 HD3 PRO 63 -1.328 -5.074 0.362 486 H GLN 64 H GLN 64 -5.805 -1.969 1.167 487 HA GLN 64 HA GLN 64 -4.742 0.364 2.158 488 HB2 GLN 64 HB2 GLN 64 -6.709 0.311 0.743 489 HB3 GLN 64 HB3 GLN 64 -7.651 -0.510 1.980 490 HG2 GLN 64 HG2 GLN 64 -7.698 1.469 3.350 491 HG3 GLN 64 HG3 GLN 64 -6.522 2.275 2.311 492 HE21 GLN 64 HE21 GLN 64 -7.878 4.008 1.925 493 HE22 GLN 64 HE22 GLN 64 -9.284 3.892 0.928 494 H ASN 65 H ASN 65 -6.340 -2.173 3.906 495 HA ASN 65 HA ASN 65 -7.049 -0.952 6.317 496 HB2 ASN 65 HB2 ASN 65 -7.870 -3.153 5.576 497 HB3 ASN 65 HB3 ASN 65 -6.255 -3.835 5.720 498 HD21 ASN 65 HD21 ASN 65 -8.979 -2.502 7.537 499 HD22 ASN 65 HD22 ASN 65 -8.597 -3.293 9.027 500 H TYR 66 H TYR 66 -3.917 -2.065 5.201 501 HA TYR 66 HA TYR 66 -2.704 -1.874 7.880 502 HB2 TYR 66 HB2 TYR 66 -1.631 -2.953 5.252 503 HB3 TYR 66 HB3 TYR 66 -0.673 -2.838 6.723 504 HD1 TYR 66 HD1 TYR 66 -3.472 -4.611 5.091 505 HD2 TYR 66 HD2 TYR 66 -1.025 -4.382 8.576 506 HE1 TYR 66 HE1 TYR 66 -4.223 -6.851 5.764 507 HE2 TYR 66 HE2 TYR 66 -1.771 -6.619 9.241 508 HH TYR 66 HH TYR 66 -3.695 -8.125 8.851 509 H VAL 67 H VAL 67 -3.155 0.150 5.231 510 HA VAL 67 HA VAL 67 -0.825 1.831 5.987 511 HB VAL 67 HB VAL 67 -0.694 2.732 3.752 512 HG11 VAL 67 HG11 VAL 67 0.563 0.685 4.149 513 HG12 VAL 67 HG12 VAL 67 0.021 0.749 2.473 514 HG13 VAL 67 HG13 VAL 67 -0.808 -0.298 3.629 515 HG21 VAL 67 HG21 VAL 67 -3.054 0.976 2.971 516 HG22 VAL 67 HG22 VAL 67 -2.081 1.940 1.854 517 HG23 VAL 67 HG23 VAL 67 -3.052 2.736 3.090 518 H LYS 68 H LYS 68 -1.155 4.076 5.953 519 HA LYS 68 HA LYS 68 -3.944 5.023 6.146 520 HB2 LYS 68 HB2 LYS 68 -2.745 5.143 8.310 521 HB3 LYS 68 HB3 LYS 68 -1.434 6.047 7.560 522 HG2 LYS 68 HG2 LYS 68 -2.873 7.542 8.831 523 HG3 LYS 68 HG3 LYS 68 -2.978 7.921 7.111 524 HD2 LYS 68 HD2 LYS 68 -5.119 6.578 7.027 525 HD3 LYS 68 HD3 LYS 68 -5.021 6.403 8.781 526 HE2 LYS 68 HE2 LYS 68 -5.280 9.023 7.258 527 HE3 LYS 68 HE3 LYS 68 -6.558 8.210 8.161 528 HZ1 LYS 68 HZ1 LYS 68 -4.066 9.352 9.307 529 HZ2 LYS 68 HZ2 LYS 68 -5.240 8.516 10.183 530 HZ3 LYS 68 HZ3 LYS 68 -5.624 9.992 9.457 531 H LEU 69 H LEU 69 -4.464 6.219 4.434 532 HA LEU 69 HA LEU 69 -2.626 7.185 2.499 533 HB2 LEU 69 HB2 LEU 69 -5.575 7.779 2.976 534 HB3 LEU 69 HB3 LEU 69 -4.687 8.325 1.560 535 HG LEU 69 HG LEU 69 -5.142 5.407 2.300 536 HD11 LEU 69 HD11 LEU 69 -6.711 5.338 0.421 537 HD12 LEU 69 HD12 LEU 69 -6.495 7.070 0.154 538 HD13 LEU 69 HD13 LEU 69 -7.239 6.491 1.648 539 HD21 LEU 69 HD21 LEU 69 -4.281 4.954 0.026 540 HD22 LEU 69 HD22 LEU 69 -3.074 5.686 1.075 541 HD23 LEU 69 HD23 LEU 69 -3.883 6.663 -0.153 542 H LEU 70 H LEU 70 -1.574 9.049 2.426 543 HA LEU 70 HA LEU 70 -1.685 10.900 4.642 544 HB2 LEU 70 HB2 LEU 70 0.035 10.907 2.120 545 HB3 LEU 70 HB3 LEU 70 0.286 11.933 3.526 546 HG LEU 70 HG LEU 70 0.523 8.895 3.482 547 HD11 LEU 70 HD11 LEU 70 2.926 9.231 3.862 548 HD12 LEU 70 HD12 LEU 70 2.713 10.976 3.683 549 HD13 LEU 70 HD13 LEU 70 2.393 9.899 2.322 550 HD21 LEU 70 HD21 LEU 70 1.373 9.076 5.787 551 HD22 LEU 70 HD22 LEU 70 -0.294 9.620 5.650 552 HD23 LEU 70 HD23 LEU 70 1.008 10.805 5.788 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -0.905 24.920 -3.942 2 H2 MET 1 H2 MET 1 -1.621 23.576 -3.202 3 H3 MET 1 H3 MET 1 -0.681 24.638 -2.293 4 HA MET 1 HA MET 1 -2.231 26.402 -2.605 5 HB2 MET 1 HB2 MET 1 -4.365 26.066 -3.723 6 HB3 MET 1 HB3 MET 1 -3.079 25.634 -4.842 7 HG2 MET 1 HG2 MET 1 -4.843 23.712 -3.292 8 HG3 MET 1 HG3 MET 1 -4.941 24.060 -5.015 9 HE1 MET 1 HE1 MET 1 -1.707 22.328 -6.374 10 HE2 MET 1 HE2 MET 1 -1.904 24.029 -5.952 11 HE3 MET 1 HE3 MET 1 -3.197 23.172 -6.798 12 H GLY 2 H GLY 2 -4.175 26.593 -1.190 13 HA2 GLY 2 HA2 GLY 2 -4.027 24.941 1.161 14 HA3 GLY 2 HA3 GLY 2 -5.160 26.252 0.849 15 H HIS 3 H HIS 3 -4.497 22.868 0.198 16 HA HIS 3 HA HIS 3 -5.704 21.029 -0.216 17 HB2 HIS 3 HB2 HIS 3 -7.214 21.704 1.636 18 HB3 HIS 3 HB3 HIS 3 -8.180 22.654 0.513 19 HD1 HIS 3 HD1 HIS 3 -9.666 21.311 -1.188 20 HD2 HIS 3 HD2 HIS 3 -7.751 18.956 1.646 21 HE1 HIS 3 HE1 HIS 3 -10.802 19.085 -1.280 22 HE2 HIS 3 HE2 HIS 3 -9.652 17.687 0.467 23 H HIS 4 H HIS 4 -6.762 20.010 -1.983 24 HA HIS 4 HA HIS 4 -6.694 21.266 -4.488 25 HB2 HIS 4 HB2 HIS 4 -8.242 18.763 -3.657 26 HB3 HIS 4 HB3 HIS 4 -7.935 19.243 -5.319 27 HD1 HIS 4 HD1 HIS 4 -6.564 17.239 -2.651 28 HD2 HIS 4 HD2 HIS 4 -5.007 19.330 -5.885 29 HE1 HIS 4 HE1 HIS 4 -4.265 16.302 -3.022 30 HE2 HIS 4 HE2 HIS 4 -3.377 17.537 -5.025 31 H HIS 5 H HIS 5 -7.871 23.060 -4.830 32 HA HIS 5 HA HIS 5 -10.522 23.540 -3.815 33 HB2 HIS 5 HB2 HIS 5 -8.862 25.118 -5.840 34 HB3 HIS 5 HB3 HIS 5 -10.354 25.684 -5.094 35 HD1 HIS 5 HD1 HIS 5 -6.914 26.215 -4.784 36 HD2 HIS 5 HD2 HIS 5 -9.945 25.541 -2.028 37 HE1 HIS 5 HE1 HIS 5 -6.040 27.067 -2.591 38 HE2 HIS 5 HE2 HIS 5 -7.832 26.508 -0.924 39 H HIS 6 H HIS 6 -9.145 22.459 -6.853 40 HA HIS 6 HA HIS 6 -11.621 22.586 -8.363 41 HB2 HIS 6 HB2 HIS 6 -8.898 21.347 -8.956 42 HB3 HIS 6 HB3 HIS 6 -10.256 21.239 -10.071 43 HD1 HIS 6 HD1 HIS 6 -10.699 23.210 -11.567 44 HD2 HIS 6 HD2 HIS 6 -7.909 24.075 -8.608 45 HE1 HIS 6 HE1 HIS 6 -9.744 25.449 -12.171 46 HE2 HIS 6 HE2 HIS 6 -8.075 25.958 -10.363 47 H HIS 7 H HIS 7 -12.800 20.742 -9.118 48 HA HIS 7 HA HIS 7 -13.451 18.804 -7.185 49 HB2 HIS 7 HB2 HIS 7 -14.017 18.784 -10.184 50 HB3 HIS 7 HB3 HIS 7 -14.755 17.678 -9.032 51 HD1 HIS 7 HD1 HIS 7 -17.049 18.363 -8.459 52 HD2 HIS 7 HD2 HIS 7 -14.645 21.653 -9.285 53 HE1 HIS 7 HE1 HIS 7 -18.549 20.363 -8.287 54 HE2 HIS 7 HE2 HIS 7 -17.116 22.303 -9.012 55 H HIS 8 H HIS 8 -13.137 16.492 -7.164 56 HA HIS 8 HA HIS 8 -10.425 15.830 -7.228 57 HB2 HIS 8 HB2 HIS 8 -11.129 13.517 -6.625 58 HB3 HIS 8 HB3 HIS 8 -11.949 14.743 -5.677 59 HD1 HIS 8 HD1 HIS 8 -12.634 11.697 -7.361 60 HD2 HIS 8 HD2 HIS 8 -14.705 15.265 -6.908 61 HE1 HIS 8 HE1 HIS 8 -15.033 11.156 -7.838 62 HE2 HIS 8 HE2 HIS 8 -16.272 13.312 -7.478 63 H SER 9 H SER 9 -9.545 16.180 -9.236 64 HA SER 9 HA SER 9 -10.377 14.774 -11.618 65 HB2 SER 9 HB2 SER 9 -7.919 16.487 -11.058 66 HB3 SER 9 HB3 SER 9 -8.448 15.942 -12.656 67 HG SER 9 HG SER 9 -10.438 17.200 -11.249 68 H HIS 10 H HIS 10 -10.114 12.619 -11.470 69 HA HIS 10 HA HIS 10 -9.263 10.547 -11.192 70 HB2 HIS 10 HB2 HIS 10 -6.613 11.982 -11.649 71 HB3 HIS 10 HB3 HIS 10 -6.800 10.233 -11.631 72 HD1 HIS 10 HD1 HIS 10 -7.531 9.125 -13.750 73 HD2 HIS 10 HD2 HIS 10 -7.927 13.260 -13.923 74 HE1 HIS 10 HE1 HIS 10 -8.065 9.654 -16.138 75 HE2 HIS 10 HE2 HIS 10 -8.227 12.157 -16.236 76 H MET 11 H MET 11 -9.979 11.965 -9.000 77 HA MET 11 HA MET 11 -9.977 12.075 -6.779 78 HB2 MET 11 HB2 MET 11 -9.663 9.624 -6.845 79 HB3 MET 11 HB3 MET 11 -7.921 9.839 -6.867 80 HG2 MET 11 HG2 MET 11 -7.989 10.801 -4.617 81 HG3 MET 11 HG3 MET 11 -9.752 10.670 -4.598 82 HE1 MET 11 HE1 MET 11 -11.052 8.312 -4.620 83 HE2 MET 11 HE2 MET 11 -10.222 6.758 -4.686 84 HE3 MET 11 HE3 MET 11 -10.166 7.844 -6.072 85 H ILE 12 H ILE 12 -6.607 11.228 -6.757 86 HA ILE 12 HA ILE 12 -5.679 13.994 -6.539 87 HB ILE 12 HB ILE 12 -5.182 11.877 -4.383 88 HG12 ILE 12 HG12 ILE 12 -6.440 14.655 -4.192 89 HG13 ILE 12 HG13 ILE 12 -7.301 13.125 -4.080 90 HG21 ILE 12 HG21 ILE 12 -3.829 14.582 -4.670 91 HG22 ILE 12 HG22 ILE 12 -3.063 13.006 -4.885 92 HG23 ILE 12 HG23 ILE 12 -3.654 13.485 -3.295 93 HD11 ILE 12 HD11 ILE 12 -7.019 14.112 -1.896 94 HD12 ILE 12 HD12 ILE 12 -5.268 14.163 -2.100 95 HD13 ILE 12 HD13 ILE 12 -6.103 12.609 -2.006 96 H ARG 13 H ARG 13 -4.169 14.091 -8.070 97 HA ARG 13 HA ARG 13 -2.803 11.931 -9.276 98 HB2 ARG 13 HB2 ARG 13 -3.144 14.087 -10.443 99 HB3 ARG 13 HB3 ARG 13 -2.115 14.912 -9.280 100 HG2 ARG 13 HG2 ARG 13 -0.854 14.538 -11.328 101 HG3 ARG 13 HG3 ARG 13 -0.175 13.529 -10.050 102 HD2 ARG 13 HD2 ARG 13 -1.518 11.607 -10.942 103 HD3 ARG 13 HD3 ARG 13 -2.037 12.642 -12.274 104 HE ARG 13 HE ARG 13 0.775 12.613 -12.183 105 HH11 ARG 13 HH11 ARG 13 -1.902 10.454 -12.942 106 HH12 ARG 13 HH12 ARG 13 -0.976 9.499 -14.047 107 HH21 ARG 13 HH21 ARG 13 1.979 11.330 -13.643 108 HH22 ARG 13 HH22 ARG 13 1.225 9.993 -14.446 109 H SER 14 H SER 14 -1.068 10.820 -8.627 110 HA SER 14 HA SER 14 0.788 10.093 -7.578 111 HB2 SER 14 HB2 SER 14 1.547 13.046 -7.488 112 HB3 SER 14 HB3 SER 14 2.663 11.685 -7.349 113 HG SER 14 HG SER 14 1.904 11.069 -9.494 114 H ARG 15 H ARG 15 -0.766 9.518 -5.868 115 HA ARG 15 HA ARG 15 -0.973 11.152 -3.499 116 HB2 ARG 15 HB2 ARG 15 -2.461 8.993 -4.673 117 HB3 ARG 15 HB3 ARG 15 -1.906 8.399 -3.123 118 HG2 ARG 15 HG2 ARG 15 -3.553 10.894 -3.580 119 HG3 ARG 15 HG3 ARG 15 -4.160 9.339 -3.008 120 HD2 ARG 15 HD2 ARG 15 -2.714 9.567 -0.981 121 HD3 ARG 15 HD3 ARG 15 -2.204 11.163 -1.551 122 HE ARG 15 HE ARG 15 -5.073 10.812 -1.337 123 HH11 ARG 15 HH11 ARG 15 -2.180 11.827 0.393 124 HH12 ARG 15 HH12 ARG 15 -3.062 12.785 1.533 125 HH21 ARG 15 HH21 ARG 15 -6.202 12.048 0.167 126 HH22 ARG 15 HH22 ARG 15 -5.349 12.909 1.406 127 H LYS 16 H LYS 16 -0.173 10.585 -1.456 128 HA LYS 16 HA LYS 16 1.944 8.518 -1.307 129 HB2 LYS 16 HB2 LYS 16 1.703 11.209 0.080 130 HB3 LYS 16 HB3 LYS 16 2.708 9.930 0.757 131 HG2 LYS 16 HG2 LYS 16 4.132 9.913 -1.199 132 HG3 LYS 16 HG3 LYS 16 3.072 11.045 -2.047 133 HD2 LYS 16 HD2 LYS 16 3.707 12.862 -0.679 134 HD3 LYS 16 HD3 LYS 16 4.340 11.820 0.592 135 HE2 LYS 16 HE2 LYS 16 6.141 12.974 -0.620 136 HE3 LYS 16 HE3 LYS 16 6.246 11.225 -0.816 137 HZ1 LYS 16 HZ1 LYS 16 5.018 13.042 -2.810 138 HZ2 LYS 16 HZ2 LYS 16 5.337 11.393 -2.992 139 HZ3 LYS 16 HZ3 LYS 16 6.614 12.492 -2.875 140 H ALA 17 H ALA 17 1.912 7.122 0.405 141 HA ALA 17 HA ALA 17 -0.151 7.352 2.495 142 HB1 ALA 17 HB1 ALA 17 -1.095 5.838 0.779 143 HB2 ALA 17 HB2 ALA 17 -0.746 4.968 2.275 144 HB3 ALA 17 HB3 ALA 17 0.337 4.814 0.886 145 H ARG 18 H ARG 18 0.355 5.986 4.355 146 HA ARG 18 HA ARG 18 3.131 5.002 4.547 147 HB2 ARG 18 HB2 ARG 18 3.093 7.102 5.777 148 HB3 ARG 18 HB3 ARG 18 1.621 6.638 6.624 149 HG2 ARG 18 HG2 ARG 18 2.825 4.890 7.840 150 HG3 ARG 18 HG3 ARG 18 4.291 5.225 6.914 151 HD2 ARG 18 HD2 ARG 18 2.935 7.222 8.746 152 HD3 ARG 18 HD3 ARG 18 4.273 6.179 9.232 153 HE ARG 18 HE ARG 18 4.482 8.211 7.080 154 HH11 ARG 18 HH11 ARG 18 5.864 6.620 9.908 155 HH12 ARG 18 HH12 ARG 18 7.339 7.529 9.840 156 HH21 ARG 18 HH21 ARG 18 6.456 9.366 7.011 157 HH22 ARG 18 HH22 ARG 18 7.669 9.067 8.215 158 H ALA 19 H ALA 19 3.115 2.912 5.007 159 HA ALA 19 HA ALA 19 0.836 1.434 5.843 160 HB1 ALA 19 HB1 ALA 19 2.468 -0.429 6.122 161 HB2 ALA 19 HB2 ALA 19 3.786 0.717 5.864 162 HB3 ALA 19 HB3 ALA 19 2.639 0.391 4.565 163 H VAL 20 H VAL 20 -0.010 1.650 7.802 164 HA VAL 20 HA VAL 20 1.598 2.248 10.181 165 HB VAL 20 HB VAL 20 -0.604 2.555 11.319 166 HG11 VAL 20 HG11 VAL 20 -1.253 4.642 10.147 167 HG12 VAL 20 HG12 VAL 20 -0.323 4.145 8.731 168 HG13 VAL 20 HG13 VAL 20 0.501 4.485 10.255 169 HG21 VAL 20 HG21 VAL 20 -1.854 1.998 8.585 170 HG22 VAL 20 HG22 VAL 20 -2.720 2.586 10.006 171 HG23 VAL 20 HG23 VAL 20 -2.002 0.971 10.019 172 H TYR 21 H TYR 21 -0.008 -0.398 8.600 173 HA TYR 21 HA TYR 21 0.774 -2.209 10.813 174 HB2 TYR 21 HB2 TYR 21 -1.343 -2.671 8.666 175 HB3 TYR 21 HB3 TYR 21 -0.914 -3.808 9.932 176 HD1 TYR 21 HD2 TYR 21 -0.815 -2.045 12.335 177 HD2 TYR 21 HD1 TYR 21 -3.612 -2.130 9.091 178 HE1 TYR 21 HE2 TYR 21 -2.533 -1.080 13.791 179 HE2 TYR 21 HE1 TYR 21 -5.328 -1.153 10.561 180 HH TYR 21 HH TYR 21 -5.811 -1.005 13.001 181 HA PRO 22 HA PRO 22 3.647 -3.821 7.695 182 HB2 PRO 22 HB2 PRO 22 4.654 -5.942 9.056 183 HB3 PRO 22 HB3 PRO 22 4.988 -4.278 9.584 184 HG2 PRO 22 HG2 PRO 22 2.981 -6.234 10.680 185 HG3 PRO 22 HG3 PRO 22 4.077 -5.144 11.563 186 HD2 PRO 22 HD2 PRO 22 1.408 -4.584 11.075 187 HD3 PRO 22 HD3 PRO 22 2.640 -3.335 11.360 188 H CYS 23 H CYS 23 3.756 -5.539 6.149 189 HA CYS 23 HA CYS 23 1.846 -7.752 6.231 190 HB2 CYS 23 HB2 CYS 23 0.472 -5.941 5.307 191 HB3 CYS 23 HB3 CYS 23 1.723 -5.533 4.143 192 HG CYS 23 HG CYS 23 1.366 -7.660 2.523 193 H GLU 24 H GLU 24 2.348 -9.383 4.782 194 HA GLU 24 HA GLU 24 4.670 -9.029 2.984 195 HB2 GLU 24 HB2 GLU 24 3.714 -11.531 4.448 196 HB3 GLU 24 HB3 GLU 24 4.919 -11.557 3.162 197 HG2 GLU 24 HG2 GLU 24 5.189 -10.117 5.825 198 HG3 GLU 24 HG3 GLU 24 5.967 -11.639 5.389 199 H ALA 25 H ALA 25 4.536 -10.335 1.001 200 HA ALA 25 HA ALA 25 2.007 -10.129 -0.301 201 HB1 ALA 25 HB1 ALA 25 3.104 -11.143 -2.247 202 HB2 ALA 25 HB2 ALA 25 4.526 -11.529 -1.266 203 HB3 ALA 25 HB3 ALA 25 4.088 -9.844 -1.566 204 H GLU 26 H GLU 26 0.526 -11.332 0.709 205 HA GLU 26 HA GLU 26 0.808 -13.890 1.831 206 HB2 GLU 26 HB2 GLU 26 -1.724 -13.843 1.914 207 HB3 GLU 26 HB3 GLU 26 -0.934 -12.434 2.612 208 HG2 GLU 26 HG2 GLU 26 -1.363 -11.182 0.513 209 HG3 GLU 26 HG3 GLU 26 -2.220 -12.582 -0.129 210 H HIS 27 H HIS 27 -0.163 -12.911 -1.456 211 HA HIS 27 HA HIS 27 -0.174 -15.802 -2.242 212 HB2 HIS 27 HB2 HIS 27 -1.756 -13.558 -3.582 213 HB3 HIS 27 HB3 HIS 27 -1.676 -15.225 -4.140 214 HD2 HIS 27 HD2 HIS 27 -3.476 -13.083 -1.443 215 HE1 HIS 27 HE1 HIS 27 -4.963 -17.035 -1.258 216 HE2 HIS 27 HE2 HIS 27 -5.372 -14.631 -0.594 217 H SER 28 H SER 28 0.110 -12.652 -4.010 218 HA SER 28 HA SER 28 2.813 -13.174 -4.871 219 HB2 SER 28 HB2 SER 28 2.268 -13.402 -7.313 220 HB3 SER 28 HB3 SER 28 1.684 -14.765 -6.358 221 HG SER 28 HG SER 28 -0.305 -14.242 -6.826 222 H SER 29 H SER 29 -0.167 -11.476 -5.947 223 HA SER 29 HA SER 29 1.205 -9.326 -7.205 224 HB2 SER 29 HB2 SER 29 -1.725 -9.497 -6.390 225 HB3 SER 29 HB3 SER 29 -1.034 -8.424 -7.614 226 HG SER 29 HG SER 29 -0.317 -10.940 -8.168 227 H GLU 30 H GLU 30 0.320 -9.876 -3.970 228 HA GLU 30 HA GLU 30 -0.136 -7.256 -2.993 229 HB2 GLU 30 HB2 GLU 30 0.742 -9.814 -1.583 230 HB3 GLU 30 HB3 GLU 30 0.351 -8.346 -0.724 231 HG2 GLU 30 HG2 GLU 30 -1.518 -9.839 -0.605 232 HG3 GLU 30 HG3 GLU 30 -1.957 -8.456 -1.611 233 H LEU 31 H LEU 31 1.273 -5.801 -2.048 234 HA LEU 31 HA LEU 31 4.130 -6.198 -2.386 235 HB2 LEU 31 HB2 LEU 31 2.537 -3.839 -1.322 236 HB3 LEU 31 HB3 LEU 31 4.297 -3.879 -1.357 237 HG LEU 31 HG LEU 31 2.458 -3.986 -3.761 238 HD11 LEU 31 HD11 LEU 31 2.606 -1.752 -2.775 239 HD12 LEU 31 HD12 LEU 31 3.365 -1.815 -4.361 240 HD13 LEU 31 HD13 LEU 31 4.367 -1.799 -2.906 241 HD21 LEU 31 HD21 LEU 31 4.411 -5.373 -4.171 242 HD22 LEU 31 HD22 LEU 31 5.483 -4.045 -3.713 243 HD23 LEU 31 HD23 LEU 31 4.467 -3.912 -5.154 244 H SER 32 H SER 32 5.431 -6.835 -0.885 245 HA SER 32 HA SER 32 4.691 -7.141 1.913 246 HB2 SER 32 HB2 SER 32 7.100 -7.915 2.133 247 HB3 SER 32 HB3 SER 32 6.162 -8.847 0.968 248 HG SER 32 HG SER 32 8.421 -7.909 0.454 249 H PHE 33 H PHE 33 5.132 -5.610 3.457 250 HA PHE 33 HA PHE 33 7.005 -3.469 3.070 251 HB2 PHE 33 HB2 PHE 33 5.280 -1.648 3.322 252 HB3 PHE 33 HB3 PHE 33 5.235 -2.501 1.791 253 HD1 PHE 33 HD1 PHE 33 3.496 -2.238 5.097 254 HD2 PHE 33 HD2 PHE 33 3.216 -3.510 1.020 255 HE1 PHE 33 HE1 PHE 33 1.071 -2.526 5.345 256 HE2 PHE 33 HE2 PHE 33 0.791 -3.798 1.290 257 HZ PHE 33 HZ PHE 33 -0.280 -3.295 3.448 258 H GLU 34 H GLU 34 6.705 -1.805 4.880 259 HA GLU 34 HA GLU 34 6.492 -3.210 7.484 260 HB2 GLU 34 HB2 GLU 34 8.581 -1.981 8.144 261 HB3 GLU 34 HB3 GLU 34 8.843 -3.120 6.831 262 HG2 GLU 34 HG2 GLU 34 8.685 -1.192 5.207 263 HG3 GLU 34 HG3 GLU 34 8.598 -0.102 6.592 264 H ILE 35 H ILE 35 6.515 -1.584 9.315 265 HA ILE 35 HA ILE 35 4.568 0.485 8.919 266 HB ILE 35 HB ILE 35 6.312 -0.027 11.385 267 HG12 ILE 35 HG12 ILE 35 3.465 -0.970 10.804 268 HG13 ILE 35 HG13 ILE 35 4.895 -1.995 10.755 269 HG21 ILE 35 HG21 ILE 35 4.602 1.257 12.635 270 HG22 ILE 35 HG22 ILE 35 3.736 1.586 11.133 271 HG23 ILE 35 HG23 ILE 35 5.351 2.253 11.387 272 HD11 ILE 35 HD11 ILE 35 3.649 -2.338 12.797 273 HD12 ILE 35 HD12 ILE 35 3.777 -0.629 13.212 274 HD13 ILE 35 HD13 ILE 35 5.226 -1.639 13.162 275 H GLY 36 H GLY 36 4.954 2.466 8.222 276 HA2 GLY 36 HA2 GLY 36 6.058 4.587 8.328 277 HA3 GLY 36 HA3 GLY 36 7.590 3.761 8.565 278 H ALA 37 H ALA 37 6.214 1.901 6.304 279 HA ALA 37 HA ALA 37 7.838 2.768 4.179 280 HB1 ALA 37 HB1 ALA 37 6.709 1.023 2.839 281 HB2 ALA 37 HB2 ALA 37 5.476 0.846 4.091 282 HB3 ALA 37 HB3 ALA 37 7.148 0.406 4.434 283 H ILE 38 H ILE 38 7.511 4.602 3.130 284 HA ILE 38 HA ILE 38 4.885 5.752 2.642 285 HB ILE 38 HB ILE 38 7.584 6.802 1.668 286 HG12 ILE 38 HG12 ILE 38 7.615 6.605 4.146 287 HG13 ILE 38 HG13 ILE 38 7.606 8.294 3.656 288 HG21 ILE 38 HG21 ILE 38 5.676 7.776 0.463 289 HG22 ILE 38 HG22 ILE 38 6.409 8.993 1.508 290 HG23 ILE 38 HG23 ILE 38 4.900 8.212 1.987 291 HD11 ILE 38 HD11 ILE 38 5.217 8.414 4.182 292 HD12 ILE 38 HD12 ILE 38 6.187 7.916 5.565 293 HD13 ILE 38 HD13 ILE 38 5.249 6.718 4.676 294 H PHE 39 H PHE 39 3.752 5.469 0.786 295 HA PHE 39 HA PHE 39 5.015 4.101 -1.513 296 HB2 PHE 39 HB2 PHE 39 2.046 4.309 -0.834 297 HB3 PHE 39 HB3 PHE 39 2.770 3.309 -2.091 298 HD1 PHE 39 HD1 PHE 39 4.100 1.284 -1.471 299 HD2 PHE 39 HD2 PHE 39 2.028 3.588 1.485 300 HE1 PHE 39 HE1 PHE 39 4.298 -0.568 0.135 301 HE2 PHE 39 HE2 PHE 39 2.241 1.731 3.067 302 HZ PHE 39 HZ PHE 39 3.368 -0.338 2.398 303 H GLU 40 H GLU 40 4.848 4.982 -3.548 304 HA GLU 40 HA GLU 40 3.907 7.770 -3.770 305 HB2 GLU 40 HB2 GLU 40 5.909 6.247 -5.503 306 HB3 GLU 40 HB3 GLU 40 5.469 7.945 -5.675 307 HG2 GLU 40 HG2 GLU 40 6.887 6.720 -3.286 308 HG3 GLU 40 HG3 GLU 40 7.643 7.667 -4.564 309 H ASP 41 H ASP 41 2.618 8.376 -5.430 310 HA ASP 41 HA ASP 41 0.910 8.320 -6.912 311 HB2 ASP 41 HB2 ASP 41 2.620 6.110 -8.121 312 HB3 ASP 41 HB3 ASP 41 1.213 6.781 -8.941 313 H VAL 42 H VAL 42 0.262 7.119 -4.587 314 HA VAL 42 HA VAL 42 -0.790 4.484 -4.802 315 HB VAL 42 HB VAL 42 -1.703 6.639 -2.841 316 HG11 VAL 42 HG11 VAL 42 -1.807 3.602 -2.605 317 HG12 VAL 42 HG12 VAL 42 -3.189 4.665 -2.884 318 HG13 VAL 42 HG13 VAL 42 -2.306 4.749 -1.359 319 HG21 VAL 42 HG21 VAL 42 0.016 5.811 -1.290 320 HG22 VAL 42 HG22 VAL 42 0.753 6.421 -2.772 321 HG23 VAL 42 HG23 VAL 42 0.600 4.681 -2.515 322 H GLN 43 H GLN 43 -2.652 3.805 -5.619 323 HA GLN 43 HA GLN 43 -4.797 5.660 -6.434 324 HB2 GLN 43 HB2 GLN 43 -3.758 3.280 -8.042 325 HB3 GLN 43 HB3 GLN 43 -5.106 4.324 -8.490 326 HG2 GLN 43 HG2 GLN 43 -3.558 6.225 -8.743 327 HG3 GLN 43 HG3 GLN 43 -2.198 5.194 -8.290 328 HE21 GLN 43 HE21 GLN 43 -2.565 6.649 -10.754 329 HE22 GLN 43 HE22 GLN 43 -2.553 5.482 -12.029 330 H THR 44 H THR 44 -6.829 4.345 -6.892 331 HA THR 44 HA THR 44 -7.218 2.319 -4.813 332 HB THR 44 HB THR 44 -9.284 3.533 -6.673 333 HG1 THR 44 HG1 THR 44 -7.956 4.635 -4.557 334 HG21 THR 44 HG21 THR 44 -10.009 1.463 -5.531 335 HG22 THR 44 HG22 THR 44 -10.902 2.872 -4.953 336 HG23 THR 44 HG23 THR 44 -9.600 2.194 -3.972 337 H SER 45 H SER 45 -7.457 0.205 -5.283 338 HA SER 45 HA SER 45 -7.105 -0.756 -8.023 339 HB2 SER 45 HB2 SER 45 -5.778 -1.799 -6.191 340 HB3 SER 45 HB3 SER 45 -7.267 -2.318 -5.404 341 HG SER 45 HG SER 45 -5.940 -3.388 -7.553 342 H ARG 46 H ARG 46 -8.531 -2.362 -8.934 343 HA ARG 46 HA ARG 46 -11.313 -1.867 -8.798 344 HB2 ARG 46 HB2 ARG 46 -9.802 -4.289 -9.864 345 HB3 ARG 46 HB3 ARG 46 -11.488 -3.919 -10.225 346 HG2 ARG 46 HG2 ARG 46 -10.893 -2.006 -11.528 347 HG3 ARG 46 HG3 ARG 46 -9.233 -2.016 -10.925 348 HD2 ARG 46 HD2 ARG 46 -10.479 -4.148 -12.700 349 HD3 ARG 46 HD3 ARG 46 -9.375 -2.877 -13.246 350 HE ARG 46 HE ARG 46 -7.818 -3.952 -11.447 351 HH11 ARG 46 HH11 ARG 46 -9.958 -5.738 -13.590 352 HH12 ARG 46 HH12 ARG 46 -8.961 -7.155 -13.595 353 HH21 ARG 46 HH21 ARG 46 -6.515 -5.806 -11.469 354 HH22 ARG 46 HH22 ARG 46 -7.005 -7.194 -12.391 355 H GLU 47 H GLU 47 -9.188 -4.083 -7.132 356 HA GLU 47 HA GLU 47 -11.156 -5.792 -5.976 357 HB2 GLU 47 HB2 GLU 47 -8.248 -5.225 -5.311 358 HB3 GLU 47 HB3 GLU 47 -9.211 -6.352 -4.367 359 HG2 GLU 47 HG2 GLU 47 -7.916 -7.599 -5.936 360 HG3 GLU 47 HG3 GLU 47 -9.611 -7.697 -6.411 361 HA PRO 48 HA PRO 48 -12.736 -2.799 -3.028 362 HB2 PRO 48 HB2 PRO 48 -14.089 -4.574 -1.345 363 HB3 PRO 48 HB3 PRO 48 -14.723 -3.963 -2.887 364 HG2 PRO 48 HG2 PRO 48 -13.423 -6.594 -2.295 365 HG3 PRO 48 HG3 PRO 48 -14.786 -6.230 -3.375 366 HD2 PRO 48 HD2 PRO 48 -12.262 -6.667 -4.307 367 HD3 PRO 48 HD3 PRO 48 -13.396 -5.578 -5.133 368 H GLY 49 H GLY 49 -11.493 -1.828 -1.575 369 HA2 GLY 49 HA2 GLY 49 -10.416 -1.435 0.428 370 HA3 GLY 49 HA3 GLY 49 -10.643 -3.118 0.868 371 H TRP 50 H TRP 50 -9.171 -2.464 -2.190 372 HA TRP 50 HA TRP 50 -6.432 -2.747 -1.075 373 HB2 TRP 50 HB2 TRP 50 -7.543 -3.865 -3.699 374 HB3 TRP 50 HB3 TRP 50 -5.833 -3.883 -3.265 375 HD1 TRP 50 HD1 TRP 50 -9.184 -5.495 -2.232 376 HE1 TRP 50 HE1 TRP 50 -8.691 -7.591 -0.825 377 HE3 TRP 50 HE3 TRP 50 -4.107 -5.097 -1.921 378 HZ2 TRP 50 HZ2 TRP 50 -6.461 -8.903 0.260 379 HZ3 TRP 50 HZ3 TRP 50 -2.860 -6.822 -0.685 380 HH2 TRP 50 HH2 TRP 50 -4.013 -8.699 0.381 381 H LEU 51 H LEU 51 -5.092 -1.142 -1.499 382 HA LEU 51 HA LEU 51 -5.569 0.748 -3.736 383 HB2 LEU 51 HB2 LEU 51 -3.780 1.027 -1.278 384 HB3 LEU 51 HB3 LEU 51 -3.982 2.249 -2.528 385 HG LEU 51 HG LEU 51 -6.102 1.305 -0.556 386 HD11 LEU 51 HD11 LEU 51 -6.015 3.548 0.368 387 HD12 LEU 51 HD12 LEU 51 -4.744 4.001 -0.775 388 HD13 LEU 51 HD13 LEU 51 -4.437 2.771 0.456 389 HD21 LEU 51 HD21 LEU 51 -6.392 3.377 -2.753 390 HD22 LEU 51 HD22 LEU 51 -7.585 3.005 -1.504 391 HD23 LEU 51 HD23 LEU 51 -7.159 1.787 -2.699 392 H GLU 52 H GLU 52 -3.642 1.294 -5.042 393 HA GLU 52 HA GLU 52 -1.454 -0.695 -4.940 394 HB2 GLU 52 HB2 GLU 52 -2.841 0.450 -7.389 395 HB3 GLU 52 HB3 GLU 52 -1.294 -0.404 -7.469 396 HG2 GLU 52 HG2 GLU 52 -2.365 -2.428 -6.547 397 HG3 GLU 52 HG3 GLU 52 -3.910 -1.570 -6.448 398 H GLY 53 H GLY 53 0.538 0.133 -4.889 399 HA2 GLY 53 HA2 GLY 53 1.070 2.966 -5.421 400 HA3 GLY 53 HA3 GLY 53 1.205 2.429 -3.746 401 H THR 54 H THR 54 3.401 3.452 -5.076 402 HA THR 54 HA THR 54 5.023 1.165 -5.952 403 HB THR 54 HB THR 54 5.682 4.123 -6.246 404 HG1 THR 54 HG1 THR 54 3.696 3.340 -7.345 405 HG21 THR 54 HG21 THR 54 6.763 1.665 -7.692 406 HG22 THR 54 HG22 THR 54 7.643 2.615 -6.491 407 HG23 THR 54 HG23 THR 54 7.207 3.338 -8.041 408 H LEU 55 H LEU 55 6.471 0.380 -4.595 409 HA LEU 55 HA LEU 55 7.711 2.001 -2.466 410 HB2 LEU 55 HB2 LEU 55 5.924 0.511 -1.491 411 HB3 LEU 55 HB3 LEU 55 6.759 -0.879 -2.157 412 HG LEU 55 HG LEU 55 8.787 -0.252 -0.727 413 HD11 LEU 55 HD11 LEU 55 8.470 1.252 1.187 414 HD12 LEU 55 HD12 LEU 55 6.863 1.684 0.591 415 HD13 LEU 55 HD13 LEU 55 8.300 2.099 -0.348 416 HD21 LEU 55 HD21 LEU 55 7.293 -2.058 -0.062 417 HD22 LEU 55 HD22 LEU 55 6.245 -0.915 0.782 418 HD23 LEU 55 HD23 LEU 55 7.896 -1.192 1.349 419 H ASN 56 H ASN 56 9.839 1.997 -2.844 420 HA ASN 56 HA ASN 56 11.950 1.469 -3.474 421 HB2 ASN 56 HB2 ASN 56 11.015 -1.387 -3.001 422 HB3 ASN 56 HB3 ASN 56 12.700 -0.896 -3.147 423 HD21 ASN 56 HD21 ASN 56 11.185 -2.144 -0.915 424 HD22 ASN 56 HD22 ASN 56 11.474 -1.139 0.460 425 H GLY 57 H GLY 57 9.843 1.674 -5.498 426 HA2 GLY 57 HA2 GLY 57 9.993 1.844 -7.802 427 HA3 GLY 57 HA3 GLY 57 11.320 0.696 -7.816 428 H LYS 58 H LYS 58 8.440 -0.210 -6.072 429 HA LYS 58 HA LYS 58 7.654 -2.033 -8.280 430 HB2 LYS 58 HB2 LYS 58 9.056 -3.162 -6.530 431 HB3 LYS 58 HB3 LYS 58 7.833 -2.754 -5.337 432 HG2 LYS 58 HG2 LYS 58 6.187 -4.142 -6.566 433 HG3 LYS 58 HG3 LYS 58 7.443 -4.569 -7.737 434 HD2 LYS 58 HD2 LYS 58 8.773 -5.598 -5.879 435 HD3 LYS 58 HD3 LYS 58 7.457 -5.222 -4.761 436 HE2 LYS 58 HE2 LYS 58 5.952 -6.673 -6.072 437 HE3 LYS 58 HE3 LYS 58 7.282 -7.058 -7.168 438 HZ1 LYS 58 HZ1 LYS 58 7.172 -7.664 -4.272 439 HZ2 LYS 58 HZ2 LYS 58 8.472 -8.006 -5.292 440 HZ3 LYS 58 HZ3 LYS 58 6.988 -8.775 -5.530 441 H ARG 59 H ARG 59 5.528 -2.036 -8.710 442 HA ARG 59 HA ARG 59 3.628 -0.753 -6.835 443 HB2 ARG 59 HB2 ARG 59 3.834 0.345 -9.034 444 HB3 ARG 59 HB3 ARG 59 3.480 -1.164 -9.854 445 HG2 ARG 59 HG2 ARG 59 1.422 -0.008 -7.974 446 HG3 ARG 59 HG3 ARG 59 1.635 0.731 -9.559 447 HD2 ARG 59 HD2 ARG 59 0.855 -2.153 -8.990 448 HD3 ARG 59 HD3 ARG 59 -0.183 -0.883 -9.648 449 HE ARG 59 HE ARG 59 2.116 -1.285 -11.288 450 HH11 ARG 59 HH11 ARG 59 -1.013 -2.725 -10.565 451 HH12 ARG 59 HH12 ARG 59 -1.144 -3.502 -12.105 452 HH21 ARG 59 HH21 ARG 59 1.940 -2.341 -13.296 453 HH22 ARG 59 HH22 ARG 59 0.527 -3.287 -13.655 454 H GLY 60 H GLY 60 1.786 -1.894 -6.195 455 HA2 GLY 60 HA2 GLY 60 0.744 -4.205 -7.438 456 HA3 GLY 60 HA3 GLY 60 1.797 -4.710 -6.120 457 H LEU 61 H LEU 61 -0.387 -5.629 -5.517 458 HA LEU 61 HA LEU 61 -2.476 -3.935 -4.582 459 HB2 LEU 61 HB2 LEU 61 -1.878 -6.885 -4.212 460 HB3 LEU 61 HB3 LEU 61 -3.278 -6.118 -3.485 461 HG LEU 61 HG LEU 61 -2.748 -6.325 -6.454 462 HD11 LEU 61 HD11 LEU 61 -4.762 -7.803 -4.759 463 HD12 LEU 61 HD12 LEU 61 -3.274 -8.480 -5.426 464 HD13 LEU 61 HD13 LEU 61 -4.554 -7.938 -6.510 465 HD21 LEU 61 HD21 LEU 61 -5.042 -5.462 -6.745 466 HD22 LEU 61 HD22 LEU 61 -3.993 -4.287 -5.959 467 HD23 LEU 61 HD23 LEU 61 -5.158 -5.199 -4.999 468 H ILE 62 H ILE 62 -2.493 -2.892 -2.782 469 HA ILE 62 HA ILE 62 -0.939 -3.710 -0.413 470 HB ILE 62 HB ILE 62 -1.921 -0.937 -1.251 471 HG12 ILE 62 HG12 ILE 62 0.952 -1.989 -1.289 472 HG13 ILE 62 HG13 ILE 62 -0.055 -1.733 -2.710 473 HG21 ILE 62 HG21 ILE 62 -0.599 -0.068 0.620 474 HG22 ILE 62 HG22 ILE 62 -0.141 -1.708 1.073 475 HG23 ILE 62 HG23 ILE 62 -1.826 -1.202 1.183 476 HD11 ILE 62 HD11 ILE 62 0.909 0.410 -0.811 477 HD12 ILE 62 HD12 ILE 62 -0.128 0.670 -2.217 478 HD13 ILE 62 HD13 ILE 62 1.517 0.078 -2.434 479 HA PRO 63 HA PRO 63 -5.129 -4.097 1.402 480 HB2 PRO 63 HB2 PRO 63 -4.160 -4.277 4.050 481 HB3 PRO 63 HB3 PRO 63 -4.473 -5.650 2.970 482 HG2 PRO 63 HG2 PRO 63 -1.882 -4.329 3.634 483 HG3 PRO 63 HG3 PRO 63 -2.220 -6.035 3.277 484 HD2 PRO 63 HD2 PRO 63 -1.052 -4.367 1.475 485 HD3 PRO 63 HD3 PRO 63 -2.097 -5.717 0.980 486 H GLN 64 H GLN 64 -6.248 -2.316 1.494 487 HA GLN 64 HA GLN 64 -5.337 0.307 1.711 488 HB2 GLN 64 HB2 GLN 64 -7.409 -0.423 0.568 489 HB3 GLN 64 HB3 GLN 64 -8.143 -0.807 2.117 490 HG2 GLN 64 HG2 GLN 64 -8.144 1.576 2.720 491 HG3 GLN 64 HG3 GLN 64 -7.340 1.962 1.197 492 HE21 GLN 64 HE21 GLN 64 -10.340 1.020 2.686 493 HE22 GLN 64 HE22 GLN 64 -11.349 1.272 1.306 494 H ASN 65 H ASN 65 -6.952 -1.730 4.102 495 HA ASN 65 HA ASN 65 -7.224 -0.013 6.273 496 HB2 ASN 65 HB2 ASN 65 -8.268 -2.215 6.264 497 HB3 ASN 65 HB3 ASN 65 -6.701 -3.012 6.158 498 HD21 ASN 65 HD21 ASN 65 -8.944 -1.371 8.278 499 HD22 ASN 65 HD22 ASN 65 -8.190 -1.838 9.760 500 H TYR 66 H TYR 66 -4.380 -1.816 5.173 501 HA TYR 66 HA TYR 66 -2.864 -1.464 7.594 502 HB2 TYR 66 HB2 TYR 66 -2.150 -2.550 4.857 503 HB3 TYR 66 HB3 TYR 66 -0.943 -2.383 6.125 504 HD1 TYR 66 HD2 TYR 66 -4.478 -3.487 6.714 505 HD2 TYR 66 HD1 TYR 66 -0.393 -4.694 6.372 506 HE1 TYR 66 HE2 TYR 66 -5.070 -5.731 7.508 507 HE2 TYR 66 HE1 TYR 66 -0.986 -6.936 7.174 508 HH TYR 66 HH TYR 66 -2.748 -8.033 8.476 509 H VAL 67 H VAL 67 -3.446 0.595 4.937 510 HA VAL 67 HA VAL 67 -1.058 2.237 5.609 511 HB VAL 67 HB VAL 67 -1.057 3.139 3.325 512 HG11 VAL 67 HG11 VAL 67 -0.246 1.140 2.141 513 HG12 VAL 67 HG12 VAL 67 -0.974 0.108 3.377 514 HG13 VAL 67 HG13 VAL 67 0.342 1.207 3.803 515 HG21 VAL 67 HG21 VAL 67 -3.325 1.194 2.715 516 HG22 VAL 67 HG22 VAL 67 -2.448 2.152 1.516 517 HG23 VAL 67 HG23 VAL 67 -3.434 2.958 2.737 518 H LYS 68 H LYS 68 -1.338 4.524 5.309 519 HA LYS 68 HA LYS 68 -4.069 5.596 5.529 520 HB2 LYS 68 HB2 LYS 68 -1.708 6.167 7.380 521 HB3 LYS 68 HB3 LYS 68 -3.135 7.183 7.302 522 HG2 LYS 68 HG2 LYS 68 -3.080 4.269 8.124 523 HG3 LYS 68 HG3 LYS 68 -3.258 5.656 9.206 524 HD2 LYS 68 HD2 LYS 68 -5.411 6.231 8.161 525 HD3 LYS 68 HD3 LYS 68 -5.225 4.921 6.992 526 HE2 LYS 68 HE2 LYS 68 -6.773 4.232 8.729 527 HE3 LYS 68 HE3 LYS 68 -5.289 3.286 8.867 528 HZ1 LYS 68 HZ1 LYS 68 -6.149 4.091 11.012 529 HZ2 LYS 68 HZ2 LYS 68 -5.898 5.685 10.506 530 HZ3 LYS 68 HZ3 LYS 68 -4.585 4.635 10.685 531 H LEU 69 H LEU 69 -4.364 7.096 4.020 532 HA LEU 69 HA LEU 69 -2.295 8.006 2.303 533 HB2 LEU 69 HB2 LEU 69 -5.174 8.969 2.559 534 HB3 LEU 69 HB3 LEU 69 -4.094 9.338 1.220 535 HG LEU 69 HG LEU 69 -5.217 6.598 1.939 536 HD11 LEU 69 HD11 LEU 69 -6.837 8.080 0.867 537 HD12 LEU 69 HD12 LEU 69 -6.408 6.727 -0.175 538 HD13 LEU 69 HD13 LEU 69 -5.734 8.331 -0.490 539 HD21 LEU 69 HD21 LEU 69 -3.269 7.309 -0.282 540 HD22 LEU 69 HD22 LEU 69 -4.092 5.756 -0.099 541 HD23 LEU 69 HD23 LEU 69 -2.949 6.291 1.126 542 H LEU 70 H LEU 70 -0.988 9.703 2.510 543 HA LEU 70 HA LEU 70 -1.213 11.429 4.874 544 HB2 LEU 70 HB2 LEU 70 1.115 10.968 2.977 545 HB3 LEU 70 HB3 LEU 70 1.178 11.887 4.475 546 HG LEU 70 HG LEU 70 0.595 8.897 4.319 547 HD11 LEU 70 HD11 LEU 70 2.850 9.324 3.558 548 HD12 LEU 70 HD12 LEU 70 2.888 8.585 5.155 549 HD13 LEU 70 HD13 LEU 70 3.187 10.315 4.982 550 HD21 LEU 70 HD21 LEU 70 0.975 8.911 6.753 551 HD22 LEU 70 HD22 LEU 70 -0.376 9.951 6.314 552 HD23 LEU 70 HD23 LEU 70 1.185 10.666 6.725 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -15.039 29.156 -25.270 2 H2 MET 1 H2 MET 1 -14.967 29.804 -23.718 3 H3 MET 1 H3 MET 1 -16.439 29.774 -24.543 4 HA MET 1 HA MET 1 -16.345 28.069 -22.861 5 HB2 MET 1 HB2 MET 1 -16.263 27.023 -25.720 6 HB3 MET 1 HB3 MET 1 -16.847 26.084 -24.353 7 HG2 MET 1 HG2 MET 1 -18.625 27.782 -23.991 8 HG3 MET 1 HG3 MET 1 -18.066 28.636 -25.434 9 HE1 MET 1 HE1 MET 1 -20.468 28.509 -26.607 10 HE2 MET 1 HE2 MET 1 -21.105 27.734 -25.154 11 HE3 MET 1 HE3 MET 1 -21.400 27.020 -26.737 12 H GLY 2 H GLY 2 -15.276 26.376 -21.838 13 HA2 GLY 2 HA2 GLY 2 -13.140 24.832 -22.653 14 HA3 GLY 2 HA3 GLY 2 -12.407 26.329 -22.070 15 H HIS 3 H HIS 3 -11.581 25.879 -20.103 16 HA HIS 3 HA HIS 3 -13.410 25.004 -17.967 17 HB2 HIS 3 HB2 HIS 3 -10.623 23.822 -18.399 18 HB3 HIS 3 HB3 HIS 3 -11.610 23.561 -16.963 19 HD1 HIS 3 HD1 HIS 3 -10.967 22.252 -20.315 20 HD2 HIS 3 HD2 HIS 3 -14.033 22.015 -17.522 21 HE1 HIS 3 HE1 HIS 3 -12.388 20.312 -21.038 22 HE2 HIS 3 HE2 HIS 3 -14.232 20.196 -19.337 23 H HIS 4 H HIS 4 -13.390 27.342 -17.689 24 HA HIS 4 HA HIS 4 -11.036 28.742 -16.827 25 HB2 HIS 4 HB2 HIS 4 -12.901 29.972 -17.863 26 HB3 HIS 4 HB3 HIS 4 -13.987 29.480 -16.569 27 HD1 HIS 4 HD1 HIS 4 -14.405 31.368 -15.012 28 HD2 HIS 4 HD2 HIS 4 -10.533 31.503 -16.539 29 HE1 HIS 4 HE1 HIS 4 -13.338 33.395 -13.985 30 HE2 HIS 4 HE2 HIS 4 -11.060 33.532 -15.044 31 H HIS 5 H HIS 5 -13.537 26.865 -15.242 32 HA HIS 5 HA HIS 5 -12.741 27.546 -12.542 33 HB2 HIS 5 HB2 HIS 5 -14.482 25.271 -13.615 34 HB3 HIS 5 HB3 HIS 5 -14.246 25.630 -11.909 35 HD1 HIS 5 HD1 HIS 5 -16.366 26.485 -14.764 36 HD2 HIS 5 HD2 HIS 5 -15.381 28.223 -11.122 37 HE1 HIS 5 HE1 HIS 5 -18.137 28.212 -14.338 38 HE2 HIS 5 HE2 HIS 5 -17.424 29.349 -12.213 39 H HIS 6 H HIS 6 -10.421 27.201 -13.086 40 HA HIS 6 HA HIS 6 -9.465 24.553 -12.327 41 HB2 HIS 6 HB2 HIS 6 -9.565 24.509 -14.844 42 HB3 HIS 6 HB3 HIS 6 -8.527 25.928 -14.898 43 HD1 HIS 6 HD1 HIS 6 -8.476 22.246 -14.335 44 HD2 HIS 6 HD2 HIS 6 -5.767 25.403 -14.354 45 HE1 HIS 6 HE1 HIS 6 -6.203 21.189 -14.360 46 HE2 HIS 6 HE2 HIS 6 -4.586 23.109 -14.227 47 H HIS 7 H HIS 7 -8.021 24.939 -10.745 48 HA HIS 7 HA HIS 7 -6.589 27.548 -10.639 49 HB2 HIS 7 HB2 HIS 7 -7.529 25.774 -8.330 50 HB3 HIS 7 HB3 HIS 7 -6.564 27.227 -8.140 51 HD1 HIS 7 HD1 HIS 7 -7.771 29.459 -8.136 52 HD2 HIS 7 HD2 HIS 7 -10.256 26.250 -9.040 53 HE1 HIS 7 HE1 HIS 7 -10.114 30.351 -7.985 54 HE2 HIS 7 HE2 HIS 7 -11.562 28.449 -8.747 55 H HIS 8 H HIS 8 -6.388 24.162 -9.491 56 HA HIS 8 HA HIS 8 -3.505 24.062 -10.060 57 HB2 HIS 8 HB2 HIS 8 -3.030 23.089 -7.807 58 HB3 HIS 8 HB3 HIS 8 -3.616 24.746 -7.716 59 HD1 HIS 8 HD1 HIS 8 -4.477 21.247 -6.736 60 HD2 HIS 8 HD2 HIS 8 -6.165 25.037 -6.448 61 HE1 HIS 8 HE1 HIS 8 -6.362 21.027 -5.100 62 HE2 HIS 8 HE2 HIS 8 -7.459 23.289 -5.061 63 H SER 9 H SER 9 -3.026 22.225 -11.098 64 HA SER 9 HA SER 9 -5.073 20.360 -11.783 65 HB2 SER 9 HB2 SER 9 -2.086 20.293 -12.397 66 HB3 SER 9 HB3 SER 9 -3.338 19.341 -13.205 67 HG SER 9 HG SER 9 -2.525 21.568 -14.045 68 H HIS 10 H HIS 10 -5.744 18.949 -10.257 69 HA HIS 10 HA HIS 10 -3.727 17.297 -8.835 70 HB2 HIS 10 HB2 HIS 10 -5.483 16.799 -7.167 71 HB3 HIS 10 HB3 HIS 10 -5.170 18.525 -7.283 72 HD1 HIS 10 HD1 HIS 10 -7.826 15.988 -7.622 73 HD2 HIS 10 HD2 HIS 10 -7.323 20.036 -8.404 74 HE1 HIS 10 HE1 HIS 10 -10.131 16.900 -7.981 75 HE2 HIS 10 HE2 HIS 10 -9.773 19.293 -8.657 76 H MET 11 H MET 11 -3.515 15.272 -9.524 77 HA MET 11 HA MET 11 -5.490 14.082 -11.371 78 HB2 MET 11 HB2 MET 11 -2.700 13.096 -10.619 79 HB3 MET 11 HB3 MET 11 -3.680 12.552 -11.976 80 HG2 MET 11 HG2 MET 11 -2.485 15.313 -11.668 81 HG3 MET 11 HG3 MET 11 -1.843 14.023 -12.686 82 HE1 MET 11 HE1 MET 11 -1.834 15.943 -14.652 83 HE2 MET 11 HE2 MET 11 -2.638 17.118 -13.605 84 HE3 MET 11 HE3 MET 11 -3.299 16.752 -15.197 85 H ILE 12 H ILE 12 -5.730 11.580 -11.049 86 HA ILE 12 HA ILE 12 -6.475 11.048 -8.253 87 HB ILE 12 HB ILE 12 -7.664 9.064 -9.162 88 HG12 ILE 12 HG12 ILE 12 -6.646 10.001 -11.885 89 HG13 ILE 12 HG13 ILE 12 -6.156 8.528 -11.057 90 HG21 ILE 12 HG21 ILE 12 -8.843 11.225 -9.018 91 HG22 ILE 12 HG22 ILE 12 -9.429 10.275 -10.382 92 HG23 ILE 12 HG23 ILE 12 -8.327 11.626 -10.658 93 HD11 ILE 12 HD11 ILE 12 -8.455 7.673 -11.265 94 HD12 ILE 12 HD12 ILE 12 -7.699 8.016 -12.818 95 HD13 ILE 12 HD13 ILE 12 -8.897 9.130 -12.162 96 H ARG 13 H ARG 13 -3.657 11.048 -9.241 97 HA ARG 13 HA ARG 13 -2.743 8.392 -8.273 98 HB2 ARG 13 HB2 ARG 13 -0.835 8.609 -9.847 99 HB3 ARG 13 HB3 ARG 13 -2.370 8.624 -10.710 100 HG2 ARG 13 HG2 ARG 13 -2.229 11.151 -10.738 101 HG3 ARG 13 HG3 ARG 13 -0.594 11.008 -10.099 102 HD2 ARG 13 HD2 ARG 13 -1.507 9.745 -12.709 103 HD3 ARG 13 HD3 ARG 13 -0.748 11.332 -12.587 104 HE ARG 13 HE ARG 13 0.822 9.263 -11.361 105 HH11 ARG 13 HH11 ARG 13 0.075 10.756 -14.466 106 HH12 ARG 13 HH12 ARG 13 1.588 10.308 -15.183 107 HH21 ARG 13 HH21 ARG 13 2.841 8.757 -12.299 108 HH22 ARG 13 HH22 ARG 13 3.157 9.172 -13.957 109 H SER 14 H SER 14 -3.062 11.516 -7.505 110 HA SER 14 HA SER 14 -0.333 12.248 -6.821 111 HB2 SER 14 HB2 SER 14 -2.900 13.862 -6.489 112 HB3 SER 14 HB3 SER 14 -1.244 14.470 -6.487 113 HG SER 14 HG SER 14 -1.077 14.072 -8.635 114 H ARG 15 H ARG 15 -1.781 10.083 -5.263 115 HA ARG 15 HA ARG 15 -1.755 11.302 -2.560 116 HB2 ARG 15 HB2 ARG 15 -3.304 8.913 -3.658 117 HB3 ARG 15 HB3 ARG 15 -2.965 9.046 -1.937 118 HG2 ARG 15 HG2 ARG 15 -4.533 11.060 -3.572 119 HG3 ARG 15 HG3 ARG 15 -5.218 9.840 -2.498 120 HD2 ARG 15 HD2 ARG 15 -4.079 10.898 -0.573 121 HD3 ARG 15 HD3 ARG 15 -3.395 12.117 -1.656 122 HE ARG 15 HE ARG 15 -6.183 12.135 -1.962 123 HH11 ARG 15 HH11 ARG 15 -3.816 12.967 0.521 124 HH12 ARG 15 HH12 ARG 15 -4.832 14.176 1.239 125 HH21 ARG 15 HH21 ARG 15 -7.502 13.698 -0.990 126 HH22 ARG 15 HH22 ARG 15 -6.922 14.590 0.382 127 H LYS 16 H LYS 16 -0.383 10.479 -1.106 128 HA LYS 16 HA LYS 16 1.217 8.073 -1.742 129 HB2 LYS 16 HB2 LYS 16 1.884 10.424 0.093 130 HB3 LYS 16 HB3 LYS 16 2.844 8.948 -0.023 131 HG2 LYS 16 HG2 LYS 16 3.293 9.406 -2.402 132 HG3 LYS 16 HG3 LYS 16 2.340 10.894 -2.300 133 HD2 LYS 16 HD2 LYS 16 3.943 11.787 -0.617 134 HD3 LYS 16 HD3 LYS 16 4.891 10.300 -0.736 135 HE2 LYS 16 HE2 LYS 16 5.351 10.786 -3.119 136 HE3 LYS 16 HE3 LYS 16 4.399 12.270 -2.999 137 HZ1 LYS 16 HZ1 LYS 16 5.982 13.088 -1.351 138 HZ2 LYS 16 HZ2 LYS 16 6.753 12.725 -2.803 139 HZ3 LYS 16 HZ3 LYS 16 6.891 11.678 -1.488 140 H ALA 17 H ALA 17 1.829 6.867 0.306 141 HA ALA 17 HA ALA 17 -0.161 7.004 2.472 142 HB1 ALA 17 HB1 ALA 17 0.409 4.464 0.882 143 HB2 ALA 17 HB2 ALA 17 -1.096 5.387 0.844 144 HB3 ALA 17 HB3 ALA 17 -0.602 4.575 2.330 145 H ARG 18 H ARG 18 0.716 6.437 4.441 146 HA ARG 18 HA ARG 18 3.406 5.185 4.476 147 HB2 ARG 18 HB2 ARG 18 3.418 7.432 5.512 148 HB3 ARG 18 HB3 ARG 18 2.104 6.974 6.594 149 HG2 ARG 18 HG2 ARG 18 3.517 5.362 7.730 150 HG3 ARG 18 HG3 ARG 18 4.820 5.606 6.568 151 HD2 ARG 18 HD2 ARG 18 5.220 7.850 7.401 152 HD3 ARG 18 HD3 ARG 18 3.788 7.769 8.439 153 HE ARG 18 HE ARG 18 5.040 5.792 9.514 154 HH11 ARG 18 HH11 ARG 18 6.660 8.676 8.298 155 HH12 ARG 18 HH12 ARG 18 7.986 8.540 9.408 156 HH21 ARG 18 HH21 ARG 18 6.776 5.631 10.981 157 HH22 ARG 18 HH22 ARG 18 8.041 6.816 10.927 158 H ALA 19 H ALA 19 3.388 3.155 5.081 159 HA ALA 19 HA ALA 19 1.138 1.699 5.920 160 HB1 ALA 19 HB1 ALA 19 2.722 -0.162 6.298 161 HB2 ALA 19 HB2 ALA 19 4.082 0.957 6.167 162 HB3 ALA 19 HB3 ALA 19 3.053 0.653 4.766 163 H VAL 20 H VAL 20 0.181 1.855 7.814 164 HA VAL 20 HA VAL 20 1.626 2.661 10.256 165 HB VAL 20 HB VAL 20 -0.702 2.987 11.203 166 HG11 VAL 20 HG11 VAL 20 0.561 4.882 10.265 167 HG12 VAL 20 HG12 VAL 20 -1.163 5.071 9.949 168 HG13 VAL 20 HG13 VAL 20 -0.083 4.545 8.653 169 HG21 VAL 20 HG21 VAL 20 -1.954 1.424 9.752 170 HG22 VAL 20 HG22 VAL 20 -1.626 2.438 8.345 171 HG23 VAL 20 HG23 VAL 20 -2.645 3.048 9.654 172 H TYR 21 H TYR 21 -0.051 -0.009 8.785 173 HA TYR 21 HA TYR 21 0.850 -1.774 10.990 174 HB2 TYR 21 HB2 TYR 21 -1.550 -2.283 9.146 175 HB3 TYR 21 HB3 TYR 21 -1.028 -3.281 10.499 176 HD1 TYR 21 HD2 TYR 21 -0.863 -1.886 12.842 177 HD2 TYR 21 HD1 TYR 21 -3.413 -0.901 9.554 178 HE1 TYR 21 HE2 TYR 21 -2.314 -0.593 14.343 179 HE2 TYR 21 HE1 TYR 21 -4.858 0.399 11.066 180 HH TYR 21 HH TYR 21 -3.911 1.250 14.223 181 HA PRO 22 HA PRO 22 3.221 -3.649 7.638 182 HB2 PRO 22 HB2 PRO 22 3.891 -6.050 8.702 183 HB3 PRO 22 HB3 PRO 22 4.493 -4.537 9.414 184 HG2 PRO 22 HG2 PRO 22 2.169 -6.228 10.307 185 HG3 PRO 22 HG3 PRO 22 3.485 -5.534 11.283 186 HD2 PRO 22 HD2 PRO 22 1.025 -4.348 11.085 187 HD3 PRO 22 HD3 PRO 22 2.521 -3.418 11.327 188 H CYS 23 H CYS 23 3.048 -5.182 5.924 189 HA CYS 23 HA CYS 23 0.777 -7.089 5.949 190 HB2 CYS 23 HB2 CYS 23 0.236 -5.343 4.337 191 HB3 CYS 23 HB3 CYS 23 1.837 -5.445 3.613 192 HG CYS 23 HG CYS 23 0.923 -6.876 1.705 193 H GLU 24 H GLU 24 1.523 -9.100 5.955 194 HA GLU 24 HA GLU 24 4.105 -9.791 4.723 195 HB2 GLU 24 HB2 GLU 24 2.174 -11.543 6.307 196 HB3 GLU 24 HB3 GLU 24 3.807 -11.979 5.812 197 HG2 GLU 24 HG2 GLU 24 4.751 -10.288 7.296 198 HG3 GLU 24 HG3 GLU 24 3.133 -9.733 7.734 199 H ALA 25 H ALA 25 3.238 -9.252 2.631 200 HA ALA 25 HA ALA 25 0.950 -10.454 1.440 201 HB1 ALA 25 HB1 ALA 25 1.878 -8.351 0.621 202 HB2 ALA 25 HB2 ALA 25 1.869 -9.545 -0.679 203 HB3 ALA 25 HB3 ALA 25 3.376 -9.159 0.155 204 H GLU 26 H GLU 26 0.706 -12.343 0.372 205 HA GLU 26 HA GLU 26 2.914 -14.287 0.484 206 HB2 GLU 26 HB2 GLU 26 -0.067 -14.718 -0.027 207 HB3 GLU 26 HB3 GLU 26 1.142 -15.985 0.199 208 HG2 GLU 26 HG2 GLU 26 1.543 -15.185 2.511 209 HG3 GLU 26 HG3 GLU 26 0.334 -13.927 2.275 210 H HIS 27 H HIS 27 1.277 -12.342 -1.801 211 HA HIS 27 HA HIS 27 2.141 -14.028 -4.102 212 HB2 HIS 27 HB2 HIS 27 -0.042 -11.884 -4.001 213 HB3 HIS 27 HB3 HIS 27 0.425 -12.808 -5.427 214 HD2 HIS 27 HD2 HIS 27 -1.165 -13.613 -1.875 215 HE1 HIS 27 HE1 HIS 27 -2.696 -16.250 -4.803 216 HE2 HIS 27 HE2 HIS 27 -2.763 -15.595 -2.361 217 H SER 28 H SER 28 3.258 -13.013 -5.789 218 HA SER 28 HA SER 28 4.891 -10.733 -5.148 219 HB2 SER 28 HB2 SER 28 5.872 -11.139 -7.411 220 HB3 SER 28 HB3 SER 28 5.809 -12.608 -6.437 221 HG SER 28 HG SER 28 4.641 -12.073 -8.819 222 H SER 29 H SER 29 1.843 -11.194 -6.728 223 HA SER 29 HA SER 29 1.685 -8.793 -8.253 224 HB2 SER 29 HB2 SER 29 -0.799 -9.208 -8.090 225 HB3 SER 29 HB3 SER 29 0.108 -10.628 -8.606 226 HG SER 29 HG SER 29 -1.560 -10.609 -6.694 227 H GLU 30 H GLU 30 1.487 -9.502 -4.869 228 HA GLU 30 HA GLU 30 0.220 -6.971 -4.095 229 HB2 GLU 30 HB2 GLU 30 1.243 -9.311 -2.417 230 HB3 GLU 30 HB3 GLU 30 0.321 -7.943 -1.804 231 HG2 GLU 30 HG2 GLU 30 -1.629 -8.629 -3.113 232 HG3 GLU 30 HG3 GLU 30 -0.703 -9.956 -3.823 233 H LEU 31 H LEU 31 1.364 -5.977 -2.033 234 HA LEU 31 HA LEU 31 4.311 -5.928 -2.304 235 HB2 LEU 31 HB2 LEU 31 2.416 -3.662 -1.587 236 HB3 LEU 31 HB3 LEU 31 4.138 -3.585 -1.247 237 HG LEU 31 HG LEU 31 2.920 -3.862 -4.006 238 HD11 LEU 31 HD11 LEU 31 2.485 -1.642 -3.098 239 HD12 LEU 31 HD12 LEU 31 3.690 -1.547 -4.375 240 HD13 LEU 31 HD13 LEU 31 4.187 -1.443 -2.683 241 HD21 LEU 31 HD21 LEU 31 5.082 -4.947 -3.912 242 HD22 LEU 31 HD22 LEU 31 5.814 -3.509 -3.191 243 HD23 LEU 31 HD23 LEU 31 5.195 -3.457 -4.845 244 H SER 32 H SER 32 5.184 -6.869 -0.683 245 HA SER 32 HA SER 32 4.009 -7.010 1.987 246 HB2 SER 32 HB2 SER 32 5.238 -8.985 1.109 247 HB3 SER 32 HB3 SER 32 6.705 -8.018 0.947 248 HG SER 32 HG SER 32 6.865 -9.052 2.879 249 H PHE 33 H PHE 33 4.882 -5.877 3.770 250 HA PHE 33 HA PHE 33 6.941 -3.938 3.533 251 HB2 PHE 33 HB2 PHE 33 5.503 -1.875 3.710 252 HB3 PHE 33 HB3 PHE 33 5.445 -2.673 2.153 253 HD1 PHE 33 HD1 PHE 33 3.506 -2.225 5.337 254 HD2 PHE 33 HD2 PHE 33 3.360 -3.279 1.188 255 HE1 PHE 33 HE1 PHE 33 1.048 -2.112 5.386 256 HE2 PHE 33 HE2 PHE 33 0.902 -3.169 1.256 257 HZ PHE 33 HZ PHE 33 -0.250 -2.578 3.352 258 H GLU 34 H GLU 34 7.031 -2.463 5.361 259 HA GLU 34 HA GLU 34 6.018 -3.656 7.884 260 HB2 GLU 34 HB2 GLU 34 8.688 -2.229 7.423 261 HB3 GLU 34 HB3 GLU 34 8.159 -3.019 8.906 262 HG2 GLU 34 HG2 GLU 34 8.256 -5.210 7.833 263 HG3 GLU 34 HG3 GLU 34 8.650 -4.464 6.283 264 H ILE 35 H ILE 35 6.138 -1.974 9.702 265 HA ILE 35 HA ILE 35 4.490 0.250 9.119 266 HB ILE 35 HB ILE 35 6.142 -0.308 11.631 267 HG12 ILE 35 HG12 ILE 35 3.177 -0.808 11.095 268 HG13 ILE 35 HG13 ILE 35 4.421 -2.053 11.055 269 HG21 ILE 35 HG21 ILE 35 3.859 1.684 11.265 270 HG22 ILE 35 HG22 ILE 35 5.557 2.095 11.506 271 HG23 ILE 35 HG23 ILE 35 4.653 1.307 12.799 272 HD11 ILE 35 HD11 ILE 35 3.201 -2.133 13.129 273 HD12 ILE 35 HD12 ILE 35 3.598 -0.452 13.477 274 HD13 ILE 35 HD13 ILE 35 4.875 -1.673 13.436 275 H GLY 36 H GLY 36 5.124 1.988 8.026 276 HA2 GLY 36 HA2 GLY 36 6.337 4.158 8.408 277 HA3 GLY 36 HA3 GLY 36 7.808 3.194 8.466 278 H ALA 37 H ALA 37 6.382 1.483 6.297 279 HA ALA 37 HA ALA 37 7.837 2.266 4.103 280 HB1 ALA 37 HB1 ALA 37 6.475 0.677 2.814 281 HB2 ALA 37 HB2 ALA 37 5.252 0.664 4.087 282 HB3 ALA 37 HB3 ALA 37 6.857 0.009 4.403 283 H ILE 38 H ILE 38 7.680 4.173 3.114 284 HA ILE 38 HA ILE 38 5.168 5.521 2.571 285 HB ILE 38 HB ILE 38 7.967 6.182 1.532 286 HG12 ILE 38 HG12 ILE 38 7.901 6.326 3.987 287 HG13 ILE 38 HG13 ILE 38 8.001 7.941 3.301 288 HG21 ILE 38 HG21 ILE 38 6.231 7.183 0.103 289 HG22 ILE 38 HG22 ILE 38 7.052 8.434 1.035 290 HG23 ILE 38 HG23 ILE 38 5.440 7.894 1.515 291 HD11 ILE 38 HD11 ILE 38 5.522 6.635 4.429 292 HD12 ILE 38 HD12 ILE 38 5.595 8.254 3.724 293 HD13 ILE 38 HD13 ILE 38 6.500 7.885 5.191 294 H PHE 39 H PHE 39 4.065 5.535 0.686 295 HA PHE 39 HA PHE 39 5.085 4.034 -1.654 296 HB2 PHE 39 HB2 PHE 39 2.143 4.205 -0.831 297 HB3 PHE 39 HB3 PHE 39 2.840 3.220 -2.113 298 HD1 PHE 39 HD1 PHE 39 4.073 1.140 -1.567 299 HD2 PHE 39 HD2 PHE 39 2.249 3.519 1.484 300 HE1 PHE 39 HE1 PHE 39 4.276 -0.721 0.034 301 HE2 PHE 39 HE2 PHE 39 2.467 1.660 3.062 302 HZ PHE 39 HZ PHE 39 3.474 -0.445 2.339 303 H GLU 40 H GLU 40 4.780 5.026 -3.602 304 HA GLU 40 HA GLU 40 3.520 7.721 -3.660 305 HB2 GLU 40 HB2 GLU 40 5.956 6.780 -5.261 306 HB3 GLU 40 HB3 GLU 40 5.242 8.394 -5.284 307 HG2 GLU 40 HG2 GLU 40 5.897 8.793 -2.984 308 HG3 GLU 40 HG3 GLU 40 6.447 7.129 -2.808 309 H ASP 41 H ASP 41 2.344 8.219 -5.582 310 HA ASP 41 HA ASP 41 0.954 7.874 -7.323 311 HB2 ASP 41 HB2 ASP 41 3.065 7.092 -8.513 312 HB3 ASP 41 HB3 ASP 41 2.685 5.447 -8.027 313 H VAL 42 H VAL 42 0.397 6.924 -4.764 314 HA VAL 42 HA VAL 42 -0.856 4.345 -4.764 315 HB VAL 42 HB VAL 42 -1.370 6.689 -2.866 316 HG11 VAL 42 HG11 VAL 42 -2.178 4.961 -1.275 317 HG12 VAL 42 HG12 VAL 42 -1.972 3.723 -2.517 318 HG13 VAL 42 HG13 VAL 42 -3.161 5.007 -2.741 319 HG21 VAL 42 HG21 VAL 42 1.002 6.066 -2.887 320 HG22 VAL 42 HG22 VAL 42 0.574 4.379 -2.576 321 HG23 VAL 42 HG23 VAL 42 0.240 5.616 -1.359 322 H GLN 43 H GLN 43 -2.587 3.907 -5.852 323 HA GLN 43 HA GLN 43 -4.759 5.872 -6.278 324 HB2 GLN 43 HB2 GLN 43 -3.949 3.762 -8.343 325 HB3 GLN 43 HB3 GLN 43 -5.061 5.111 -8.551 326 HG2 GLN 43 HG2 GLN 43 -3.057 6.650 -8.255 327 HG3 GLN 43 HG3 GLN 43 -2.045 5.212 -8.345 328 HE21 GLN 43 HE21 GLN 43 -0.993 5.799 -10.242 329 HE22 GLN 43 HE22 GLN 43 -1.787 5.923 -11.771 330 H THR 44 H THR 44 -6.815 4.591 -6.881 331 HA THR 44 HA THR 44 -7.228 2.452 -4.971 332 HB THR 44 HB THR 44 -9.173 3.514 -7.054 333 HG1 THR 44 HG1 THR 44 -8.102 5.118 -5.544 334 HG21 THR 44 HG21 THR 44 -9.684 2.298 -4.319 335 HG22 THR 44 HG22 THR 44 -9.941 1.482 -5.864 336 HG23 THR 44 HG23 THR 44 -10.916 2.889 -5.434 337 H SER 45 H SER 45 -7.727 0.252 -5.535 338 HA SER 45 HA SER 45 -6.643 -0.644 -8.134 339 HB2 SER 45 HB2 SER 45 -6.445 -2.826 -7.107 340 HB3 SER 45 HB3 SER 45 -5.879 -1.659 -5.913 341 HG SER 45 HG SER 45 -8.037 -1.796 -5.000 342 H ARG 46 H ARG 46 -8.143 -3.168 -8.137 343 HA ARG 46 HA ARG 46 -10.763 -2.276 -9.125 344 HB2 ARG 46 HB2 ARG 46 -9.369 -4.983 -9.330 345 HB3 ARG 46 HB3 ARG 46 -10.883 -4.545 -10.122 346 HG2 ARG 46 HG2 ARG 46 -9.706 -2.842 -11.462 347 HG3 ARG 46 HG3 ARG 46 -8.189 -3.241 -10.656 348 HD2 ARG 46 HD2 ARG 46 -8.241 -5.498 -11.618 349 HD3 ARG 46 HD3 ARG 46 -9.809 -5.168 -12.365 350 HE ARG 46 HE ARG 46 -8.011 -3.215 -13.260 351 HH11 ARG 46 HH11 ARG 46 -8.430 -6.705 -13.580 352 HH12 ARG 46 HH12 ARG 46 -7.677 -6.774 -15.139 353 HH21 ARG 46 HH21 ARG 46 -7.056 -3.319 -15.332 354 HH22 ARG 46 HH22 ARG 46 -6.899 -4.847 -16.133 355 H GLU 47 H GLU 47 -9.260 -4.167 -6.577 356 HA GLU 47 HA GLU 47 -11.749 -5.408 -5.644 357 HB2 GLU 47 HB2 GLU 47 -8.830 -5.665 -4.803 358 HB3 GLU 47 HB3 GLU 47 -10.139 -6.467 -3.939 359 HG2 GLU 47 HG2 GLU 47 -10.679 -7.827 -5.796 360 HG3 GLU 47 HG3 GLU 47 -9.658 -6.891 -6.889 361 HA PRO 48 HA PRO 48 -12.441 -2.021 -2.686 362 HB2 PRO 48 HB2 PRO 48 -14.160 -3.989 -1.203 363 HB3 PRO 48 HB3 PRO 48 -14.601 -2.426 -1.921 364 HG2 PRO 48 HG2 PRO 48 -15.398 -4.726 -3.038 365 HG3 PRO 48 HG3 PRO 48 -14.951 -3.320 -4.033 366 HD2 PRO 48 HD2 PRO 48 -13.324 -5.792 -3.431 367 HD3 PRO 48 HD3 PRO 48 -13.523 -4.911 -4.965 368 H GLY 49 H GLY 49 -11.046 -1.450 -1.156 369 HA2 GLY 49 HA2 GLY 49 -10.050 -1.516 0.980 370 HA3 GLY 49 HA3 GLY 49 -10.328 -3.250 1.064 371 H TRP 50 H TRP 50 -9.092 -2.664 -1.958 372 HA TRP 50 HA TRP 50 -6.265 -2.883 -1.082 373 HB2 TRP 50 HB2 TRP 50 -7.614 -3.993 -3.597 374 HB3 TRP 50 HB3 TRP 50 -5.874 -4.030 -3.308 375 HD1 TRP 50 HD1 TRP 50 -9.114 -5.760 -2.272 376 HE1 TRP 50 HE1 TRP 50 -8.557 -7.799 -0.821 377 HE3 TRP 50 HE3 TRP 50 -4.080 -5.041 -1.774 378 HZ2 TRP 50 HZ2 TRP 50 -6.284 -8.941 0.425 379 HZ3 TRP 50 HZ3 TRP 50 -2.787 -6.639 -0.429 380 HH2 TRP 50 HH2 TRP 50 -3.860 -8.553 0.650 381 H LEU 51 H LEU 51 -4.702 -1.809 -2.320 382 HA LEU 51 HA LEU 51 -5.567 0.377 -4.109 383 HB2 LEU 51 HB2 LEU 51 -3.541 0.627 -1.836 384 HB3 LEU 51 HB3 LEU 51 -3.909 1.883 -3.007 385 HG LEU 51 HG LEU 51 -5.836 0.802 -0.908 386 HD11 LEU 51 HD11 LEU 51 -5.592 2.978 0.182 387 HD12 LEU 51 HD12 LEU 51 -4.392 3.466 -1.019 388 HD13 LEU 51 HD13 LEU 51 -4.049 2.135 0.088 389 HD21 LEU 51 HD21 LEU 51 -7.068 1.518 -2.900 390 HD22 LEU 51 HD22 LEU 51 -6.246 3.080 -2.879 391 HD23 LEU 51 HD23 LEU 51 -7.338 2.635 -1.564 392 H GLU 52 H GLU 52 -3.824 1.063 -5.559 393 HA GLU 52 HA GLU 52 -1.559 -0.849 -5.783 394 HB2 GLU 52 HB2 GLU 52 -3.136 0.587 -7.958 395 HB3 GLU 52 HB3 GLU 52 -1.573 -0.170 -8.257 396 HG2 GLU 52 HG2 GLU 52 -2.450 -2.358 -7.688 397 HG3 GLU 52 HG3 GLU 52 -3.982 -1.651 -7.173 398 H GLY 53 H GLY 53 0.384 0.046 -5.494 399 HA2 GLY 53 HA2 GLY 53 0.916 2.893 -5.884 400 HA3 GLY 53 HA3 GLY 53 0.900 2.351 -4.202 401 H THR 54 H THR 54 3.257 3.349 -5.155 402 HA THR 54 HA THR 54 4.906 1.093 -6.085 403 HB THR 54 HB THR 54 5.744 4.013 -5.954 404 HG1 THR 54 HG1 THR 54 3.851 3.802 -7.245 405 HG21 THR 54 HG21 THR 54 7.588 2.415 -6.295 406 HG22 THR 54 HG22 THR 54 7.305 3.355 -7.761 407 HG23 THR 54 HG23 THR 54 6.724 1.693 -7.660 408 H LEU 55 H LEU 55 6.142 0.090 -4.621 409 HA LEU 55 HA LEU 55 7.226 1.558 -2.278 410 HB2 LEU 55 HB2 LEU 55 5.645 -0.246 -1.643 411 HB3 LEU 55 HB3 LEU 55 6.587 -1.414 -2.553 412 HG LEU 55 HG LEU 55 8.514 -1.051 -0.983 413 HD11 LEU 55 HD11 LEU 55 6.591 0.687 0.587 414 HD12 LEU 55 HD12 LEU 55 8.051 1.225 -0.246 415 HD13 LEU 55 HD13 LEU 55 8.180 0.145 1.138 416 HD21 LEU 55 HD21 LEU 55 5.929 -1.880 0.359 417 HD22 LEU 55 HD22 LEU 55 7.560 -2.284 0.908 418 HD23 LEU 55 HD23 LEU 55 6.969 -2.908 -0.631 419 H ASN 56 H ASN 56 9.355 1.830 -2.370 420 HA ASN 56 HA ASN 56 11.510 1.806 -2.921 421 HB2 ASN 56 HB2 ASN 56 11.247 -1.057 -3.894 422 HB3 ASN 56 HB3 ASN 56 12.724 -0.227 -3.425 423 HD21 ASN 56 HD21 ASN 56 12.925 0.388 -1.141 424 HD22 ASN 56 HD22 ASN 56 12.183 -0.612 0.055 425 H GLY 57 H GLY 57 10.107 -0.194 -5.508 426 HA2 GLY 57 HA2 GLY 57 9.810 1.971 -7.356 427 HA3 GLY 57 HA3 GLY 57 11.206 0.963 -7.760 428 H LYS 58 H LYS 58 8.240 -0.256 -6.243 429 HA LYS 58 HA LYS 58 7.552 -1.775 -8.713 430 HB2 LYS 58 HB2 LYS 58 8.790 -3.217 -7.099 431 HB3 LYS 58 HB3 LYS 58 7.625 -2.833 -5.850 432 HG2 LYS 58 HG2 LYS 58 5.832 -3.908 -7.271 433 HG3 LYS 58 HG3 LYS 58 7.100 -4.430 -8.386 434 HD2 LYS 58 HD2 LYS 58 8.119 -5.817 -6.661 435 HD3 LYS 58 HD3 LYS 58 7.023 -5.181 -5.432 436 HE2 LYS 58 HE2 LYS 58 6.213 -6.872 -7.827 437 HE3 LYS 58 HE3 LYS 58 6.331 -7.431 -6.158 438 HZ1 LYS 58 HZ1 LYS 58 4.549 -5.947 -5.543 439 HZ2 LYS 58 HZ2 LYS 58 4.051 -6.926 -6.828 440 HZ3 LYS 58 HZ3 LYS 58 4.472 -5.315 -7.111 441 H ARG 59 H ARG 59 5.370 -1.781 -9.220 442 HA ARG 59 HA ARG 59 3.401 -0.692 -7.319 443 HB2 ARG 59 HB2 ARG 59 2.991 0.113 -9.550 444 HB3 ARG 59 HB3 ARG 59 3.166 -1.491 -10.254 445 HG2 ARG 59 HG2 ARG 59 1.039 -2.206 -9.313 446 HG3 ARG 59 HG3 ARG 59 0.886 -0.713 -8.392 447 HD2 ARG 59 HD2 ARG 59 0.991 -0.729 -11.419 448 HD3 ARG 59 HD3 ARG 59 -0.519 -0.942 -10.529 449 HE ARG 59 HE ARG 59 1.198 1.448 -10.219 450 HH11 ARG 59 HH11 ARG 59 -1.998 0.072 -10.755 451 HH12 ARG 59 HH12 ARG 59 -2.795 1.607 -10.677 452 HH21 ARG 59 HH21 ARG 59 0.108 3.445 -10.035 453 HH22 ARG 59 HH22 ARG 59 -1.605 3.510 -10.277 454 H GLY 60 H GLY 60 1.957 -1.947 -6.202 455 HA2 GLY 60 HA2 GLY 60 1.146 -4.565 -7.128 456 HA3 GLY 60 HA3 GLY 60 2.147 -4.613 -5.677 457 H LEU 61 H LEU 61 -0.143 -5.662 -5.311 458 HA LEU 61 HA LEU 61 -2.288 -3.927 -4.542 459 HB2 LEU 61 HB2 LEU 61 -1.739 -6.858 -3.962 460 HB3 LEU 61 HB3 LEU 61 -3.183 -6.035 -3.395 461 HG LEU 61 HG LEU 61 -2.433 -6.324 -6.311 462 HD11 LEU 61 HD11 LEU 61 -4.214 -8.019 -6.440 463 HD12 LEU 61 HD12 LEU 61 -4.413 -7.937 -4.687 464 HD13 LEU 61 HD13 LEU 61 -2.895 -8.519 -5.384 465 HD21 LEU 61 HD21 LEU 61 -3.830 -4.358 -5.890 466 HD22 LEU 61 HD22 LEU 61 -5.008 -5.358 -5.033 467 HD23 LEU 61 HD23 LEU 61 -4.737 -5.591 -6.763 468 H ILE 62 H ILE 62 -2.462 -2.837 -2.780 469 HA ILE 62 HA ILE 62 -0.850 -3.402 -0.371 470 HB ILE 62 HB ILE 62 -1.967 -0.753 -1.438 471 HG12 ILE 62 HG12 ILE 62 0.949 -1.646 -1.284 472 HG13 ILE 62 HG13 ILE 62 -0.017 -1.611 -2.755 473 HG21 ILE 62 HG21 ILE 62 -0.749 0.357 0.383 474 HG22 ILE 62 HG22 ILE 62 -0.225 -1.207 1.007 475 HG23 ILE 62 HG23 ILE 62 -1.937 -0.781 1.024 476 HD11 ILE 62 HD11 ILE 62 0.771 0.773 -1.087 477 HD12 ILE 62 HD12 ILE 62 -0.251 0.820 -2.527 478 HD13 ILE 62 HD13 ILE 62 1.428 0.300 -2.654 479 HA PRO 63 HA PRO 63 -5.031 -3.795 1.500 480 HB2 PRO 63 HB2 PRO 63 -3.482 -3.974 4.060 481 HB3 PRO 63 HB3 PRO 63 -4.639 -5.125 3.354 482 HG2 PRO 63 HG2 PRO 63 -2.012 -5.662 3.427 483 HG3 PRO 63 HG3 PRO 63 -3.041 -6.194 2.074 484 HD2 PRO 63 HD2 PRO 63 -1.155 -3.845 2.197 485 HD3 PRO 63 HD3 PRO 63 -1.428 -5.004 0.875 486 H GLN 64 H GLN 64 -6.034 -1.915 1.537 487 HA GLN 64 HA GLN 64 -5.038 0.635 2.081 488 HB2 GLN 64 HB2 GLN 64 -7.056 0.144 0.728 489 HB3 GLN 64 HB3 GLN 64 -7.919 -0.362 2.174 490 HG2 GLN 64 HG2 GLN 64 -7.914 1.892 3.038 491 HG3 GLN 64 HG3 GLN 64 -6.848 2.430 1.747 492 HE21 GLN 64 HE21 GLN 64 -9.664 0.292 1.316 493 HE22 GLN 64 HE22 GLN 64 -10.584 1.417 0.389 494 H ASN 65 H ASN 65 -6.574 -1.684 4.194 495 HA ASN 65 HA ASN 65 -7.080 -0.108 6.480 496 HB2 ASN 65 HB2 ASN 65 -6.448 -3.088 6.311 497 HB3 ASN 65 HB3 ASN 65 -7.121 -2.278 7.727 498 HD21 ASN 65 HD21 ASN 65 -9.014 -3.474 7.746 499 HD22 ASN 65 HD22 ASN 65 -10.222 -3.382 6.517 500 H TYR 66 H TYR 66 -4.115 -1.480 5.245 501 HA TYR 66 HA TYR 66 -2.708 -1.240 7.819 502 HB2 TYR 66 HB2 TYR 66 -1.840 -2.458 5.156 503 HB3 TYR 66 HB3 TYR 66 -0.840 -2.415 6.605 504 HD1 TYR 66 HD2 TYR 66 -3.912 -3.009 8.049 505 HD2 TYR 66 HD1 TYR 66 -1.143 -4.975 5.444 506 HE1 TYR 66 HE2 TYR 66 -4.805 -5.193 8.731 507 HE2 TYR 66 HE1 TYR 66 -2.048 -7.151 6.132 508 HH TYR 66 HH TYR 66 -3.252 -8.150 7.965 509 H VAL 67 H VAL 67 -3.328 0.771 5.201 510 HA VAL 67 HA VAL 67 -0.850 2.322 5.713 511 HB VAL 67 HB VAL 67 -0.766 3.040 3.367 512 HG11 VAL 67 HG11 VAL 67 0.079 0.953 2.389 513 HG12 VAL 67 HG12 VAL 67 -0.726 0.017 3.651 514 HG13 VAL 67 HG13 VAL 67 0.586 1.124 4.069 515 HG21 VAL 67 HG21 VAL 67 -3.025 1.061 2.851 516 HG22 VAL 67 HG22 VAL 67 -2.108 1.917 1.602 517 HG23 VAL 67 HG23 VAL 67 -3.125 2.817 2.727 518 H LYS 68 H LYS 68 -1.014 4.541 5.632 519 HA LYS 68 HA LYS 68 -3.731 5.663 5.999 520 HB2 LYS 68 HB2 LYS 68 -2.335 5.645 8.033 521 HB3 LYS 68 HB3 LYS 68 -1.042 6.480 7.184 522 HG2 LYS 68 HG2 LYS 68 -2.679 8.430 6.876 523 HG3 LYS 68 HG3 LYS 68 -3.748 7.579 7.999 524 HD2 LYS 68 HD2 LYS 68 -2.381 9.310 9.151 525 HD3 LYS 68 HD3 LYS 68 -2.037 7.689 9.762 526 HE2 LYS 68 HE2 LYS 68 0.018 7.587 8.422 527 HE3 LYS 68 HE3 LYS 68 -0.346 9.156 7.701 528 HZ1 LYS 68 HZ1 LYS 68 1.299 9.220 9.535 529 HZ2 LYS 68 HZ2 LYS 68 0.088 8.749 10.610 530 HZ3 LYS 68 HZ3 LYS 68 -0.039 10.218 9.790 531 H LEU 69 H LEU 69 -4.346 7.032 4.414 532 HA LEU 69 HA LEU 69 -2.588 7.711 2.257 533 HB2 LEU 69 HB2 LEU 69 -5.450 8.591 2.819 534 HB3 LEU 69 HB3 LEU 69 -4.604 8.807 1.292 535 HG LEU 69 HG LEU 69 -5.282 6.109 2.530 536 HD11 LEU 69 HD11 LEU 69 -7.292 7.304 1.785 537 HD12 LEU 69 HD12 LEU 69 -6.961 5.895 0.783 538 HD13 LEU 69 HD13 LEU 69 -6.583 7.512 0.179 539 HD21 LEU 69 HD21 LEU 69 -4.585 5.174 0.355 540 HD22 LEU 69 HD22 LEU 69 -3.256 5.984 1.176 541 HD23 LEU 69 HD23 LEU 69 -4.072 6.779 -0.173 542 H LEU 70 H LEU 70 -1.152 9.266 2.453 543 HA LEU 70 HA LEU 70 -1.277 11.519 4.185 544 HB2 LEU 70 HB2 LEU 70 0.476 11.134 1.710 545 HB3 LEU 70 HB3 LEU 70 0.774 12.248 3.037 546 HG LEU 70 HG LEU 70 0.891 9.207 3.169 547 HD11 LEU 70 HD11 LEU 70 3.274 9.479 3.608 548 HD12 LEU 70 HD12 LEU 70 3.136 11.232 3.433 549 HD13 LEU 70 HD13 LEU 70 2.835 10.173 2.052 550 HD21 LEU 70 HD21 LEU 70 1.662 9.461 5.498 551 HD22 LEU 70 HD22 LEU 70 0.007 10.014 5.273 552 HD23 LEU 70 HD23 LEU 70 1.313 11.193 5.420 Start of MODEL 5 1 H1 MET 1 H1 MET 1 11.731 24.879 -12.639 2 H2 MET 1 H2 MET 1 12.487 23.371 -12.741 3 H3 MET 1 H3 MET 1 11.586 23.779 -11.371 4 HA MET 1 HA MET 1 10.528 23.426 -14.101 5 HB2 MET 1 HB2 MET 1 10.357 21.663 -11.618 6 HB3 MET 1 HB3 MET 1 9.361 21.416 -13.050 7 HG2 MET 1 HG2 MET 1 12.382 21.235 -12.909 8 HG3 MET 1 HG3 MET 1 11.250 19.891 -13.095 9 HE1 MET 1 HE1 MET 1 13.046 20.121 -16.623 10 HE2 MET 1 HE2 MET 1 12.642 19.045 -15.287 11 HE3 MET 1 HE3 MET 1 13.764 20.386 -15.034 12 H GLY 2 H GLY 2 8.951 24.868 -14.409 13 HA2 GLY 2 HA2 GLY 2 7.606 26.291 -12.319 14 HA3 GLY 2 HA3 GLY 2 7.302 26.410 -14.042 15 H HIS 3 H HIS 3 5.829 25.689 -11.239 16 HA HIS 3 HA HIS 3 3.761 23.991 -12.521 17 HB2 HIS 3 HB2 HIS 3 4.822 23.622 -9.677 18 HB3 HIS 3 HB3 HIS 3 3.451 22.762 -10.379 19 HD1 HIS 3 HD1 HIS 3 7.041 22.528 -9.915 20 HD2 HIS 3 HD2 HIS 3 4.274 21.020 -12.618 21 HE1 HIS 3 HE1 HIS 3 8.150 20.552 -10.987 22 HE2 HIS 3 HE2 HIS 3 6.441 19.637 -12.586 23 H HIS 4 H HIS 4 1.785 24.728 -12.228 24 HA HIS 4 HA HIS 4 1.125 26.608 -10.036 25 HB2 HIS 4 HB2 HIS 4 0.177 26.685 -12.939 26 HB3 HIS 4 HB3 HIS 4 -0.597 27.593 -11.644 27 HD1 HIS 4 HD1 HIS 4 2.258 27.716 -13.994 28 HD2 HIS 4 HD2 HIS 4 1.034 29.708 -10.558 29 HE1 HIS 4 HE1 HIS 4 3.562 29.861 -13.944 30 HE2 HIS 4 HE2 HIS 4 2.920 30.952 -11.783 31 H HIS 5 H HIS 5 -1.124 26.567 -9.417 32 HA HIS 5 HA HIS 5 -2.957 25.579 -8.561 33 HB2 HIS 5 HB2 HIS 5 -2.814 23.876 -11.077 34 HB3 HIS 5 HB3 HIS 5 -4.155 23.818 -9.941 35 HD1 HIS 5 HD1 HIS 5 -6.053 25.320 -10.476 36 HD2 HIS 5 HD2 HIS 5 -2.520 26.659 -12.207 37 HE1 HIS 5 HE1 HIS 5 -6.683 27.320 -11.844 38 HE2 HIS 5 HE2 HIS 5 -4.516 28.204 -12.728 39 H HIS 6 H HIS 6 -0.233 24.626 -7.902 40 HA HIS 6 HA HIS 6 -0.833 21.925 -6.828 41 HB2 HIS 6 HB2 HIS 6 1.208 22.193 -8.352 42 HB3 HIS 6 HB3 HIS 6 1.919 23.223 -7.115 43 HD1 HIS 6 HD1 HIS 6 1.407 19.685 -8.044 44 HD2 HIS 6 HD2 HIS 6 2.651 21.792 -4.692 45 HE1 HIS 6 HE1 HIS 6 2.521 17.999 -6.564 46 HE2 HIS 6 HE2 HIS 6 3.330 19.312 -4.593 47 H HIS 7 H HIS 7 -2.170 23.167 -5.249 48 HA HIS 7 HA HIS 7 -0.536 23.884 -2.884 49 HB2 HIS 7 HB2 HIS 7 -1.479 25.951 -4.056 50 HB3 HIS 7 HB3 HIS 7 -3.095 25.358 -3.676 51 HD1 HIS 7 HD1 HIS 7 -4.012 25.966 -1.407 52 HD2 HIS 7 HD2 HIS 7 0.090 26.590 -1.659 53 HE1 HIS 7 HE1 HIS 7 -3.364 27.072 0.743 54 HE2 HIS 7 HE2 HIS 7 -0.863 27.261 0.644 55 H HIS 8 H HIS 8 -2.182 21.518 -3.970 56 HA HIS 8 HA HIS 8 -3.293 19.743 -3.152 57 HB2 HIS 8 HB2 HIS 8 -1.456 19.926 -1.453 58 HB3 HIS 8 HB3 HIS 8 -2.514 20.879 -0.419 59 HD1 HIS 8 HD1 HIS 8 -3.754 19.582 1.292 60 HD2 HIS 8 HD2 HIS 8 -2.625 17.186 -1.902 61 HE1 HIS 8 HE1 HIS 8 -4.486 17.264 1.892 62 HE2 HIS 8 HE2 HIS 8 -4.023 15.914 -0.159 63 H SER 9 H SER 9 -4.902 22.185 -3.671 64 HA SER 9 HA SER 9 -7.001 22.364 -1.729 65 HB2 SER 9 HB2 SER 9 -7.057 23.131 -4.682 66 HB3 SER 9 HB3 SER 9 -8.203 23.665 -3.446 67 HG SER 9 HG SER 9 -6.831 25.265 -3.238 68 H HIS 10 H HIS 10 -6.959 20.954 -4.992 69 HA HIS 10 HA HIS 10 -8.408 18.562 -4.171 70 HB2 HIS 10 HB2 HIS 10 -9.580 20.646 -6.048 71 HB3 HIS 10 HB3 HIS 10 -9.913 18.946 -6.359 72 HD1 HIS 10 HD1 HIS 10 -11.477 21.669 -4.822 73 HD2 HIS 10 HD2 HIS 10 -10.852 17.723 -3.683 74 HE1 HIS 10 HE1 HIS 10 -13.209 21.187 -3.073 75 HE2 HIS 10 HE2 HIS 10 -12.685 18.864 -2.278 76 H MET 11 H MET 11 -5.751 18.917 -4.824 77 HA MET 11 HA MET 11 -4.863 18.291 -7.392 78 HB2 MET 11 HB2 MET 11 -3.309 18.757 -5.523 79 HB3 MET 11 HB3 MET 11 -3.857 17.329 -4.660 80 HG2 MET 11 HG2 MET 11 -2.893 15.939 -6.535 81 HG3 MET 11 HG3 MET 11 -2.192 17.423 -7.189 82 HE1 MET 11 HE1 MET 11 0.268 16.312 -7.070 83 HE2 MET 11 HE2 MET 11 -0.451 14.831 -6.431 84 HE3 MET 11 HE3 MET 11 0.913 15.581 -5.602 85 H ILE 12 H ILE 12 -5.496 16.597 -8.681 86 HA ILE 12 HA ILE 12 -6.454 14.086 -7.476 87 HB ILE 12 HB ILE 12 -6.977 13.420 -9.884 88 HG12 ILE 12 HG12 ILE 12 -7.233 15.421 -11.532 89 HG13 ILE 12 HG13 ILE 12 -6.123 16.288 -10.488 90 HG21 ILE 12 HG21 ILE 12 -9.014 14.828 -10.017 91 HG22 ILE 12 HG22 ILE 12 -8.318 15.947 -8.843 92 HG23 ILE 12 HG23 ILE 12 -8.700 14.293 -8.362 93 HD11 ILE 12 HD11 ILE 12 -5.487 13.744 -11.986 94 HD12 ILE 12 HD12 ILE 12 -4.364 14.693 -11.011 95 HD13 ILE 12 HD13 ILE 12 -5.044 15.377 -12.484 96 H ARG 13 H ARG 13 -5.494 12.114 -7.819 97 HA ARG 13 HA ARG 13 -3.953 10.516 -8.127 98 HB2 ARG 13 HB2 ARG 13 -4.096 11.349 -10.552 99 HB3 ARG 13 HB3 ARG 13 -2.666 12.322 -10.235 100 HG2 ARG 13 HG2 ARG 13 -1.450 10.188 -9.657 101 HG3 ARG 13 HG3 ARG 13 -2.869 9.301 -10.180 102 HD2 ARG 13 HD2 ARG 13 -2.549 10.105 -12.472 103 HD3 ARG 13 HD3 ARG 13 -1.168 11.088 -11.949 104 HE ARG 13 HE ARG 13 -0.944 8.293 -11.263 105 HH11 ARG 13 HH11 ARG 13 -0.256 10.611 -13.844 106 HH12 ARG 13 HH12 ARG 13 0.974 9.612 -14.555 107 HH21 ARG 13 HH21 ARG 13 0.638 7.027 -12.193 108 HH22 ARG 13 HH22 ARG 13 1.477 7.581 -13.615 109 H SER 14 H SER 14 -1.410 10.109 -8.040 110 HA SER 14 HA SER 14 0.700 10.405 -7.349 111 HB2 SER 14 HB2 SER 14 0.637 12.393 -8.819 112 HB3 SER 14 HB3 SER 14 0.060 13.381 -7.482 113 HG SER 14 HG SER 14 2.486 11.936 -7.348 114 H ARG 15 H ARG 15 -1.224 9.770 -5.468 115 HA ARG 15 HA ARG 15 -0.904 11.303 -3.038 116 HB2 ARG 15 HB2 ARG 15 -2.240 8.622 -3.666 117 HB3 ARG 15 HB3 ARG 15 -2.163 9.284 -2.037 118 HG2 ARG 15 HG2 ARG 15 -3.542 10.573 -4.406 119 HG3 ARG 15 HG3 ARG 15 -4.328 9.741 -3.062 120 HD2 ARG 15 HD2 ARG 15 -3.361 11.442 -1.503 121 HD3 ARG 15 HD3 ARG 15 -2.698 12.300 -2.896 122 HE ARG 15 HE ARG 15 -5.504 12.113 -2.093 123 HH11 ARG 15 HH11 ARG 15 -3.193 13.305 -4.481 124 HH12 ARG 15 HH12 ARG 15 -4.317 14.449 -5.144 125 HH21 ARG 15 HH21 ARG 15 -6.918 13.638 -2.956 126 HH22 ARG 15 HH22 ARG 15 -6.420 14.635 -4.283 127 H LYS 16 H LYS 16 0.137 10.537 -1.166 128 HA LYS 16 HA LYS 16 1.984 8.242 -1.477 129 HB2 LYS 16 HB2 LYS 16 1.991 10.496 0.578 130 HB3 LYS 16 HB3 LYS 16 3.110 9.133 0.572 131 HG2 LYS 16 HG2 LYS 16 3.995 9.866 -1.611 132 HG3 LYS 16 HG3 LYS 16 2.883 11.240 -1.599 133 HD2 LYS 16 HD2 LYS 16 3.975 12.093 0.468 134 HD3 LYS 16 HD3 LYS 16 5.096 10.726 0.430 135 HE2 LYS 16 HE2 LYS 16 4.855 12.878 -1.698 136 HE3 LYS 16 HE3 LYS 16 6.127 12.763 -0.483 137 HZ1 LYS 16 HZ1 LYS 16 6.759 10.616 -1.436 138 HZ2 LYS 16 HZ2 LYS 16 6.894 11.871 -2.559 139 HZ3 LYS 16 HZ3 LYS 16 5.591 10.797 -2.640 140 H ALA 17 H ALA 17 2.218 6.973 0.544 141 HA ALA 17 HA ALA 17 0.050 7.073 2.488 142 HB1 ALA 17 HB1 ALA 17 -0.789 5.424 0.832 143 HB2 ALA 17 HB2 ALA 17 -0.391 4.636 2.358 144 HB3 ALA 17 HB3 ALA 17 0.708 4.500 0.982 145 H ARG 18 H ARG 18 0.698 6.195 4.476 146 HA ARG 18 HA ARG 18 3.498 5.252 4.704 147 HB2 ARG 18 HB2 ARG 18 3.126 7.511 5.745 148 HB3 ARG 18 HB3 ARG 18 1.885 6.818 6.782 149 HG2 ARG 18 HG2 ARG 18 3.540 5.405 7.892 150 HG3 ARG 18 HG3 ARG 18 4.795 5.946 6.775 151 HD2 ARG 18 HD2 ARG 18 4.546 8.260 7.647 152 HD3 ARG 18 HD3 ARG 18 3.333 7.678 8.795 153 HE ARG 18 HE ARG 18 5.531 6.108 9.264 154 HH11 ARG 18 HH11 ARG 18 4.951 9.584 9.295 155 HH12 ARG 18 HH12 ARG 18 6.167 9.896 10.503 156 HH21 ARG 18 HH21 ARG 18 7.141 6.534 10.826 157 HH22 ARG 18 HH22 ARG 18 7.407 8.168 11.367 158 H ALA 19 H ALA 19 3.539 3.190 5.253 159 HA ALA 19 HA ALA 19 1.334 1.631 6.027 160 HB1 ALA 19 HB1 ALA 19 3.362 0.652 5.025 161 HB2 ALA 19 HB2 ALA 19 3.030 -0.100 6.587 162 HB3 ALA 19 HB3 ALA 19 4.307 1.112 6.446 163 H VAL 20 H VAL 20 0.264 1.902 7.846 164 HA VAL 20 HA VAL 20 1.543 2.791 10.351 165 HB VAL 20 HB VAL 20 -0.823 3.069 11.167 166 HG11 VAL 20 HG11 VAL 20 0.378 4.991 10.204 167 HG12 VAL 20 HG12 VAL 20 -1.339 5.075 9.816 168 HG13 VAL 20 HG13 VAL 20 -0.185 4.559 8.584 169 HG21 VAL 20 HG21 VAL 20 -1.607 2.355 8.305 170 HG22 VAL 20 HG22 VAL 20 -2.704 2.966 9.549 171 HG23 VAL 20 HG23 VAL 20 -1.942 1.387 9.742 172 H TYR 21 H TYR 21 0.200 0.019 8.787 173 HA TYR 21 HA TYR 21 0.908 -1.661 11.120 174 HB2 TYR 21 HB2 TYR 21 -1.374 -2.216 9.153 175 HB3 TYR 21 HB3 TYR 21 -0.925 -3.207 10.535 176 HD1 TYR 21 HD2 TYR 21 -0.922 -1.792 12.878 177 HD2 TYR 21 HD1 TYR 21 -3.283 -0.882 9.431 178 HE1 TYR 21 HE2 TYR 21 -2.511 -0.552 14.279 179 HE2 TYR 21 HE1 TYR 21 -4.870 0.354 10.842 180 HH TYR 21 HH TYR 21 -5.561 0.444 13.211 181 HA PRO 22 HA PRO 22 3.423 -3.635 7.905 182 HB2 PRO 22 HB2 PRO 22 4.064 -5.986 9.096 183 HB3 PRO 22 HB3 PRO 22 4.670 -4.441 9.722 184 HG2 PRO 22 HG2 PRO 22 2.371 -6.097 10.724 185 HG3 PRO 22 HG3 PRO 22 3.659 -5.292 11.649 186 HD2 PRO 22 HD2 PRO 22 1.153 -4.209 11.312 187 HD3 PRO 22 HD3 PRO 22 2.613 -3.230 11.569 188 H CYS 23 H CYS 23 3.474 -5.660 6.511 189 HA CYS 23 HA CYS 23 0.983 -7.184 6.300 190 HB2 CYS 23 HB2 CYS 23 0.393 -5.260 4.950 191 HB3 CYS 23 HB3 CYS 23 1.943 -5.293 4.115 192 HG CYS 23 HG CYS 23 1.101 -6.671 2.157 193 H GLU 24 H GLU 24 1.733 -9.185 6.166 194 HA GLU 24 HA GLU 24 4.173 -9.844 4.670 195 HB2 GLU 24 HB2 GLU 24 2.298 -11.673 6.239 196 HB3 GLU 24 HB3 GLU 24 3.905 -12.084 5.642 197 HG2 GLU 24 HG2 GLU 24 4.914 -10.435 7.158 198 HG3 GLU 24 HG3 GLU 24 3.315 -9.960 7.725 199 H ALA 25 H ALA 25 3.582 -9.539 2.545 200 HA ALA 25 HA ALA 25 1.153 -10.401 1.329 201 HB1 ALA 25 HB1 ALA 25 3.834 -9.762 0.044 202 HB2 ALA 25 HB2 ALA 25 2.524 -8.619 0.340 203 HB3 ALA 25 HB3 ALA 25 2.301 -9.934 -0.817 204 H GLU 26 H GLU 26 0.611 -12.351 0.474 205 HA GLU 26 HA GLU 26 2.581 -14.558 0.561 206 HB2 GLU 26 HB2 GLU 26 0.624 -16.069 0.469 207 HB3 GLU 26 HB3 GLU 26 0.546 -14.967 1.839 208 HG2 GLU 26 HG2 GLU 26 -1.093 -13.575 0.680 209 HG3 GLU 26 HG3 GLU 26 -0.987 -14.598 -0.755 210 H HIS 27 H HIS 27 0.902 -12.520 -1.655 211 HA HIS 27 HA HIS 27 1.712 -14.239 -3.938 212 HB2 HIS 27 HB2 HIS 27 -0.796 -13.952 -3.661 213 HB3 HIS 27 HB3 HIS 27 -0.584 -12.228 -3.945 214 HD2 HIS 27 HD2 HIS 27 -0.545 -15.601 -5.908 215 HE1 HIS 27 HE1 HIS 27 -0.089 -12.430 -8.657 216 HE2 HIS 27 HE2 HIS 27 -0.596 -14.896 -8.395 217 H SER 28 H SER 28 2.475 -13.122 -5.812 218 HA SER 28 HA SER 28 4.477 -11.234 -5.161 219 HB2 SER 28 HB2 SER 28 3.569 -12.223 -7.897 220 HB3 SER 28 HB3 SER 28 5.100 -11.414 -7.543 221 HG SER 28 HG SER 28 5.113 -13.341 -5.862 222 H SER 29 H SER 29 1.314 -10.906 -6.671 223 HA SER 29 HA SER 29 1.540 -8.305 -7.759 224 HB2 SER 29 HB2 SER 29 -0.336 -9.761 -8.353 225 HB3 SER 29 HB3 SER 29 -0.904 -9.790 -6.683 226 HG SER 29 HG SER 29 -2.058 -8.129 -7.260 227 H GLU 30 H GLU 30 0.740 -9.477 -4.534 228 HA GLU 30 HA GLU 30 -0.034 -6.953 -3.406 229 HB2 GLU 30 HB2 GLU 30 0.879 -9.479 -1.970 230 HB3 GLU 30 HB3 GLU 30 -0.083 -8.171 -1.290 231 HG2 GLU 30 HG2 GLU 30 -1.963 -8.760 -2.758 232 HG3 GLU 30 HG3 GLU 30 -0.987 -10.032 -3.503 233 H LEU 31 H LEU 31 1.162 -5.663 -2.008 234 HA LEU 31 HA LEU 31 4.093 -5.828 -2.171 235 HB2 LEU 31 HB2 LEU 31 2.257 -3.588 -1.217 236 HB3 LEU 31 HB3 LEU 31 4.016 -3.490 -1.252 237 HG LEU 31 HG LEU 31 2.279 -3.920 -3.706 238 HD11 LEU 31 HD11 LEU 31 2.783 -1.610 -4.328 239 HD12 LEU 31 HD12 LEU 31 3.646 -1.373 -2.805 240 HD13 LEU 31 HD13 LEU 31 1.910 -1.683 -2.798 241 HD21 LEU 31 HD21 LEU 31 4.492 -4.872 -3.992 242 HD22 LEU 31 HD22 LEU 31 5.246 -3.349 -3.511 243 HD23 LEU 31 HD23 LEU 31 4.302 -3.441 -5.003 244 H SER 32 H SER 32 5.253 -6.503 -0.547 245 HA SER 32 HA SER 32 4.084 -6.985 2.122 246 HB2 SER 32 HB2 SER 32 5.285 -8.863 0.902 247 HB3 SER 32 HB3 SER 32 6.779 -7.946 1.058 248 HG SER 32 HG SER 32 6.934 -8.739 2.984 249 H PHE 33 H PHE 33 4.969 -5.952 3.965 250 HA PHE 33 HA PHE 33 7.102 -4.083 3.814 251 HB2 PHE 33 HB2 PHE 33 5.730 -1.976 3.991 252 HB3 PHE 33 HB3 PHE 33 5.667 -2.756 2.426 253 HD1 PHE 33 HD1 PHE 33 3.696 -2.075 5.521 254 HD2 PHE 33 HD2 PHE 33 3.571 -3.498 1.485 255 HE1 PHE 33 HE1 PHE 33 1.241 -1.905 5.529 256 HE2 PHE 33 HE2 PHE 33 1.112 -3.326 1.506 257 HZ PHE 33 HZ PHE 33 -0.053 -2.523 3.529 258 H GLU 34 H GLU 34 7.004 -2.470 5.586 259 HA GLU 34 HA GLU 34 5.900 -3.536 8.112 260 HB2 GLU 34 HB2 GLU 34 8.028 -2.805 9.210 261 HB3 GLU 34 HB3 GLU 34 8.285 -4.095 8.044 262 HG2 GLU 34 HG2 GLU 34 9.128 -2.471 6.393 263 HG3 GLU 34 HG3 GLU 34 8.807 -1.150 7.513 264 H ILE 35 H ILE 35 6.038 -1.755 9.829 265 HA ILE 35 HA ILE 35 4.475 0.465 9.037 266 HB ILE 35 HB ILE 35 6.011 0.105 11.658 267 HG12 ILE 35 HG12 ILE 35 3.127 -0.642 11.015 268 HG13 ILE 35 HG13 ILE 35 4.453 -1.792 11.114 269 HG21 ILE 35 HG21 ILE 35 5.258 2.446 11.350 270 HG22 ILE 35 HG22 ILE 35 4.343 1.669 12.643 271 HG23 ILE 35 HG23 ILE 35 3.610 1.887 11.053 272 HD11 ILE 35 HD11 ILE 35 3.403 -0.114 13.392 273 HD12 ILE 35 HD12 ILE 35 4.749 -1.255 13.482 274 HD13 ILE 35 HD13 ILE 35 3.124 -1.836 13.123 275 H GLY 36 H GLY 36 5.120 2.236 8.035 276 HA2 GLY 36 HA2 GLY 36 6.466 4.307 8.207 277 HA3 GLY 36 HA3 GLY 36 7.885 3.289 8.395 278 H ALA 37 H ALA 37 6.424 1.488 6.289 279 HA ALA 37 HA ALA 37 7.906 2.163 4.044 280 HB1 ALA 37 HB1 ALA 37 6.968 -0.090 4.416 281 HB2 ALA 37 HB2 ALA 37 6.517 0.529 2.827 282 HB3 ALA 37 HB3 ALA 37 5.339 0.532 4.140 283 H ILE 38 H ILE 38 7.749 4.011 3.003 284 HA ILE 38 HA ILE 38 5.252 5.454 2.618 285 HB ILE 38 HB ILE 38 8.066 6.130 1.642 286 HG12 ILE 38 HG12 ILE 38 7.894 6.109 4.123 287 HG13 ILE 38 HG13 ILE 38 8.155 7.737 3.521 288 HG21 ILE 38 HG21 ILE 38 5.580 7.894 1.661 289 HG22 ILE 38 HG22 ILE 38 6.374 7.232 0.232 290 HG23 ILE 38 HG23 ILE 38 7.211 8.420 1.229 291 HD11 ILE 38 HD11 ILE 38 5.537 6.590 4.488 292 HD12 ILE 38 HD12 ILE 38 5.761 8.227 3.862 293 HD13 ILE 38 HD13 ILE 38 6.573 7.727 5.345 294 H PHE 39 H PHE 39 3.987 5.179 0.926 295 HA PHE 39 HA PHE 39 4.923 3.854 -1.548 296 HB2 PHE 39 HB2 PHE 39 2.047 4.310 -0.575 297 HB3 PHE 39 HB3 PHE 39 2.539 3.352 -1.965 298 HD1 PHE 39 HD2 PHE 39 2.697 3.521 1.744 299 HD2 PHE 39 HD1 PHE 39 3.098 1.036 -1.715 300 HE1 PHE 39 HE2 PHE 39 2.831 1.543 3.180 301 HE2 PHE 39 HE1 PHE 39 3.224 -0.941 -0.255 302 HZ PHE 39 HZ PHE 39 3.096 -0.672 2.187 303 H GLU 40 H GLU 40 4.322 4.840 -3.567 304 HA GLU 40 HA GLU 40 3.454 7.657 -3.471 305 HB2 GLU 40 HB2 GLU 40 5.756 6.564 -5.141 306 HB3 GLU 40 HB3 GLU 40 5.086 8.186 -5.280 307 HG2 GLU 40 HG2 GLU 40 5.743 8.613 -2.892 308 HG3 GLU 40 HG3 GLU 40 6.517 7.027 -2.872 309 H ASP 41 H ASP 41 2.371 8.411 -5.255 310 HA ASP 41 HA ASP 41 0.534 8.361 -6.527 311 HB2 ASP 41 HB2 ASP 41 2.276 8.066 -8.266 312 HB3 ASP 41 HB3 ASP 41 2.137 6.318 -8.121 313 H VAL 42 H VAL 42 -0.177 7.192 -4.401 314 HA VAL 42 HA VAL 42 -1.050 4.440 -4.710 315 HB VAL 42 HB VAL 42 -1.843 6.371 -2.481 316 HG11 VAL 42 HG11 VAL 42 -3.231 4.349 -2.582 317 HG12 VAL 42 HG12 VAL 42 -2.172 4.275 -1.173 318 HG13 VAL 42 HG13 VAL 42 -1.792 3.328 -2.612 319 HG21 VAL 42 HG21 VAL 42 0.565 4.529 -2.597 320 HG22 VAL 42 HG22 VAL 42 0.048 5.472 -1.198 321 HG23 VAL 42 HG23 VAL 42 0.605 6.293 -2.657 322 H GLN 43 H GLN 43 -2.889 3.845 -5.559 323 HA GLN 43 HA GLN 43 -5.050 5.784 -6.191 324 HB2 GLN 43 HB2 GLN 43 -3.864 3.560 -7.930 325 HB3 GLN 43 HB3 GLN 43 -5.381 4.363 -8.305 326 HG2 GLN 43 HG2 GLN 43 -2.748 5.846 -8.056 327 HG3 GLN 43 HG3 GLN 43 -3.352 5.190 -9.578 328 HE21 GLN 43 HE21 GLN 43 -3.434 7.269 -10.486 329 HE22 GLN 43 HE22 GLN 43 -4.656 8.411 -10.062 330 H THR 44 H THR 44 -7.144 4.499 -6.692 331 HA THR 44 HA THR 44 -7.475 2.288 -4.780 332 HB THR 44 HB THR 44 -9.632 3.677 -6.412 333 HG1 THR 44 HG1 THR 44 -8.185 4.786 -4.510 334 HG21 THR 44 HG21 THR 44 -11.154 2.867 -4.627 335 HG22 THR 44 HG22 THR 44 -9.794 2.045 -3.861 336 HG23 THR 44 HG23 THR 44 -10.350 1.529 -5.455 337 H SER 45 H SER 45 -7.672 0.242 -5.521 338 HA SER 45 HA SER 45 -7.505 -0.240 -8.431 339 HB2 SER 45 HB2 SER 45 -5.774 -1.206 -6.739 340 HB3 SER 45 HB3 SER 45 -7.024 -2.345 -6.284 341 HG SER 45 HG SER 45 -6.173 -3.411 -7.903 342 H ARG 46 H ARG 46 -8.641 -2.201 -9.245 343 HA ARG 46 HA ARG 46 -11.442 -1.935 -8.759 344 HB2 ARG 46 HB2 ARG 46 -9.957 -3.989 -10.449 345 HB3 ARG 46 HB3 ARG 46 -11.692 -3.697 -10.497 346 HG2 ARG 46 HG2 ARG 46 -9.572 -1.662 -11.231 347 HG3 ARG 46 HG3 ARG 46 -10.483 -2.635 -12.385 348 HD2 ARG 46 HD2 ARG 46 -12.584 -1.559 -11.614 349 HD3 ARG 46 HD3 ARG 46 -11.657 -0.579 -10.471 350 HE ARG 46 HE ARG 46 -10.787 -0.304 -13.208 351 HH11 ARG 46 HH11 ARG 46 -13.064 0.939 -10.801 352 HH12 ARG 46 HH12 ARG 46 -13.271 2.462 -11.608 353 HH21 ARG 46 HH21 ARG 46 -11.123 1.684 -14.281 354 HH22 ARG 46 HH22 ARG 46 -12.171 2.880 -13.579 355 H GLU 47 H GLU 47 -9.004 -4.028 -7.501 356 HA GLU 47 HA GLU 47 -10.663 -6.131 -6.485 357 HB2 GLU 47 HB2 GLU 47 -7.922 -5.087 -5.662 358 HB3 GLU 47 HB3 GLU 47 -8.700 -6.427 -4.832 359 HG2 GLU 47 HG2 GLU 47 -7.053 -7.236 -6.421 360 HG3 GLU 47 HG3 GLU 47 -8.673 -7.751 -6.882 361 HA PRO 48 HA PRO 48 -12.881 -3.718 -3.375 362 HB2 PRO 48 HB2 PRO 48 -13.342 -6.364 -2.011 363 HB3 PRO 48 HB3 PRO 48 -14.527 -5.188 -2.620 364 HG2 PRO 48 HG2 PRO 48 -14.131 -7.473 -3.930 365 HG3 PRO 48 HG3 PRO 48 -14.369 -5.954 -4.830 366 HD2 PRO 48 HD2 PRO 48 -11.784 -7.393 -4.213 367 HD3 PRO 48 HD3 PRO 48 -12.334 -6.685 -5.749 368 H GLY 49 H GLY 49 -11.676 -2.499 -2.054 369 HA2 GLY 49 HA2 GLY 49 -10.767 -1.861 -0.018 370 HA3 GLY 49 HA3 GLY 49 -10.738 -3.541 0.493 371 H TRP 50 H TRP 50 -9.297 -2.862 -2.556 372 HA TRP 50 HA TRP 50 -6.582 -2.881 -1.374 373 HB2 TRP 50 HB2 TRP 50 -7.535 -4.089 -4.007 374 HB3 TRP 50 HB3 TRP 50 -5.837 -3.929 -3.560 375 HD1 TRP 50 HD1 TRP 50 -8.971 -5.968 -2.685 376 HE1 TRP 50 HE1 TRP 50 -8.280 -7.978 -1.240 377 HE3 TRP 50 HE3 TRP 50 -4.045 -4.825 -2.007 378 HZ2 TRP 50 HZ2 TRP 50 -5.953 -8.950 0.028 379 HZ3 TRP 50 HZ3 TRP 50 -2.648 -6.336 -0.660 380 HH2 TRP 50 HH2 TRP 50 -3.580 -8.363 0.334 381 H LEU 51 H LEU 51 -5.355 -1.252 -1.774 382 HA LEU 51 HA LEU 51 -5.916 0.767 -3.821 383 HB2 LEU 51 HB2 LEU 51 -3.845 0.664 -1.591 384 HB3 LEU 51 HB3 LEU 51 -4.074 2.024 -2.682 385 HG LEU 51 HG LEU 51 -6.147 1.003 -0.704 386 HD11 LEU 51 HD11 LEU 51 -5.738 3.003 0.600 387 HD12 LEU 51 HD12 LEU 51 -4.445 3.494 -0.502 388 HD13 LEU 51 HD13 LEU 51 -4.279 2.025 0.469 389 HD21 LEU 51 HD21 LEU 51 -6.247 3.469 -2.463 390 HD22 LEU 51 HD22 LEU 51 -7.415 3.037 -1.211 391 HD23 LEU 51 HD23 LEU 51 -7.234 2.014 -2.633 392 H GLU 52 H GLU 52 -4.004 1.445 -5.188 393 HA GLU 52 HA GLU 52 -2.048 -0.702 -5.691 394 HB2 GLU 52 HB2 GLU 52 -4.105 -0.887 -7.166 395 HB3 GLU 52 HB3 GLU 52 -3.699 0.672 -7.854 396 HG2 GLU 52 HG2 GLU 52 -1.625 -1.475 -7.944 397 HG3 GLU 52 HG3 GLU 52 -3.022 -1.645 -8.999 398 H GLY 53 H GLY 53 -0.046 0.143 -5.846 399 HA2 GLY 53 HA2 GLY 53 0.625 2.838 -6.527 400 HA3 GLY 53 HA3 GLY 53 0.455 2.655 -4.778 401 H THR 54 H THR 54 2.896 3.356 -5.497 402 HA THR 54 HA THR 54 4.482 0.991 -6.238 403 HB THR 54 HB THR 54 5.384 3.901 -6.359 404 HG1 THR 54 HG1 THR 54 4.777 2.732 -8.759 405 HG21 THR 54 HG21 THR 54 7.050 3.068 -7.939 406 HG22 THR 54 HG22 THR 54 6.396 1.436 -7.830 407 HG23 THR 54 HG23 THR 54 7.185 2.164 -6.428 408 H LEU 55 H LEU 55 5.903 0.160 -4.872 409 HA LEU 55 HA LEU 55 6.755 1.594 -2.419 410 HB2 LEU 55 HB2 LEU 55 5.067 -0.151 -1.887 411 HB3 LEU 55 HB3 LEU 55 6.029 -1.355 -2.724 412 HG LEU 55 HG LEU 55 7.846 -1.054 -1.003 413 HD11 LEU 55 HD11 LEU 55 7.391 0.146 1.080 414 HD12 LEU 55 HD12 LEU 55 5.855 0.724 0.431 415 HD13 LEU 55 HD13 LEU 55 7.376 1.234 -0.308 416 HD21 LEU 55 HD21 LEU 55 6.201 -2.867 -0.797 417 HD22 LEU 55 HD22 LEU 55 5.145 -1.819 0.154 418 HD23 LEU 55 HD23 LEU 55 6.727 -2.291 0.785 419 H ASN 56 H ASN 56 8.843 2.094 -2.888 420 HA ASN 56 HA ASN 56 11.094 1.847 -3.078 421 HB2 ASN 56 HB2 ASN 56 10.488 -1.117 -2.649 422 HB3 ASN 56 HB3 ASN 56 12.100 -0.414 -2.588 423 HD21 ASN 56 HD21 ASN 56 10.325 -1.768 -0.520 424 HD22 ASN 56 HD22 ASN 56 10.354 -0.680 0.819 425 H GLY 57 H GLY 57 9.328 1.703 -5.451 426 HA2 GLY 57 HA2 GLY 57 9.901 1.850 -7.719 427 HA3 GLY 57 HA3 GLY 57 11.307 0.829 -7.444 428 H LYS 58 H LYS 58 8.536 -0.464 -5.979 429 HA LYS 58 HA LYS 58 7.920 -2.224 -8.284 430 HB2 LYS 58 HB2 LYS 58 9.298 -3.269 -6.361 431 HB3 LYS 58 HB3 LYS 58 7.863 -3.124 -5.377 432 HG2 LYS 58 HG2 LYS 58 6.608 -4.537 -7.034 433 HG3 LYS 58 HG3 LYS 58 8.119 -4.757 -7.927 434 HD2 LYS 58 HD2 LYS 58 7.747 -6.716 -6.525 435 HD3 LYS 58 HD3 LYS 58 9.120 -5.811 -5.877 436 HE2 LYS 58 HE2 LYS 58 7.551 -4.756 -4.219 437 HE3 LYS 58 HE3 LYS 58 6.278 -5.818 -4.823 438 HZ1 LYS 58 HZ1 LYS 58 7.609 -7.718 -4.172 439 HZ2 LYS 58 HZ2 LYS 58 7.297 -6.716 -2.848 440 HZ3 LYS 58 HZ3 LYS 58 8.819 -6.700 -3.581 441 H ARG 59 H ARG 59 5.846 -1.944 -8.847 442 HA ARG 59 HA ARG 59 3.952 -0.715 -6.947 443 HB2 ARG 59 HB2 ARG 59 4.467 0.474 -9.079 444 HB3 ARG 59 HB3 ARG 59 3.829 -0.894 -9.984 445 HG2 ARG 59 HG2 ARG 59 1.600 -0.484 -9.205 446 HG3 ARG 59 HG3 ARG 59 2.161 0.687 -8.010 447 HD2 ARG 59 HD2 ARG 59 2.923 2.163 -9.901 448 HD3 ARG 59 HD3 ARG 59 2.210 1.003 -11.028 449 HE ARG 59 HE ARG 59 0.070 1.590 -10.310 450 HH11 ARG 59 HH11 ARG 59 2.514 3.521 -8.640 451 HH12 ARG 59 HH12 ARG 59 1.367 4.705 -8.110 452 HH21 ARG 59 HH21 ARG 59 -1.418 3.125 -9.539 453 HH22 ARG 59 HH22 ARG 59 -0.848 4.483 -8.616 454 H GLY 60 H GLY 60 1.978 -1.655 -6.508 455 HA2 GLY 60 HA2 GLY 60 0.770 -3.828 -7.854 456 HA3 GLY 60 HA3 GLY 60 1.726 -4.449 -6.512 457 H LEU 61 H LEU 61 -0.362 -5.203 -5.762 458 HA LEU 61 HA LEU 61 -2.381 -3.380 -4.875 459 HB2 LEU 61 HB2 LEU 61 -1.948 -6.337 -4.326 460 HB3 LEU 61 HB3 LEU 61 -3.318 -5.431 -3.704 461 HG LEU 61 HG LEU 61 -2.719 -5.987 -6.617 462 HD11 LEU 61 HD11 LEU 61 -4.939 -6.999 -4.825 463 HD12 LEU 61 HD12 LEU 61 -3.554 -7.932 -5.403 464 HD13 LEU 61 HD13 LEU 61 -4.758 -7.345 -6.549 465 HD21 LEU 61 HD21 LEU 61 -4.881 -4.895 -7.115 466 HD22 LEU 61 HD22 LEU 61 -3.715 -3.765 -6.433 467 HD23 LEU 61 HD23 LEU 61 -5.017 -4.403 -5.424 468 H ILE 62 H ILE 62 -2.525 -2.404 -3.010 469 HA ILE 62 HA ILE 62 -0.806 -3.059 -0.714 470 HB ILE 62 HB ILE 62 -2.274 -0.419 -1.213 471 HG12 ILE 62 HG12 ILE 62 0.605 -0.990 -2.057 472 HG13 ILE 62 HG13 ILE 62 -0.755 -0.856 -3.161 473 HG21 ILE 62 HG21 ILE 62 0.147 -1.057 0.512 474 HG22 ILE 62 HG22 ILE 62 -1.505 -0.832 1.093 475 HG23 ILE 62 HG23 ILE 62 -0.634 0.521 0.365 476 HD11 ILE 62 HD11 ILE 62 0.247 1.360 -1.384 477 HD12 ILE 62 HD12 ILE 62 -1.052 1.464 -2.579 478 HD13 ILE 62 HD13 ILE 62 0.607 1.156 -3.100 479 HA PRO 63 HA PRO 63 -4.864 -3.828 1.405 480 HB2 PRO 63 HB2 PRO 63 -3.162 -3.973 3.863 481 HB3 PRO 63 HB3 PRO 63 -4.278 -5.187 3.199 482 HG2 PRO 63 HG2 PRO 63 -1.616 -5.540 3.099 483 HG3 PRO 63 HG3 PRO 63 -2.687 -6.108 1.795 484 HD2 PRO 63 HD2 PRO 63 -0.960 -3.632 1.866 485 HD3 PRO 63 HD3 PRO 63 -1.223 -4.785 0.537 486 H GLN 64 H GLN 64 -6.003 -1.978 1.621 487 HA GLN 64 HA GLN 64 -4.885 0.565 1.988 488 HB2 GLN 64 HB2 GLN 64 -7.192 1.435 2.009 489 HB3 GLN 64 HB3 GLN 64 -6.978 0.240 0.743 490 HG2 GLN 64 HG2 GLN 64 -8.884 -0.689 1.482 491 HG3 GLN 64 HG3 GLN 64 -7.947 -1.287 2.833 492 HE21 GLN 64 HE21 GLN 64 -7.721 1.496 4.023 493 HE22 GLN 64 HE22 GLN 64 -9.277 1.785 4.698 494 H ASN 65 H ASN 65 -6.358 -1.639 4.290 495 HA ASN 65 HA ASN 65 -6.836 0.133 6.452 496 HB2 ASN 65 HB2 ASN 65 -7.828 -2.174 6.109 497 HB3 ASN 65 HB3 ASN 65 -6.280 -2.875 6.549 498 HD21 ASN 65 HD21 ASN 65 -8.912 -3.165 7.767 499 HD22 ASN 65 HD22 ASN 65 -8.728 -2.717 9.423 500 H TYR 66 H TYR 66 -4.022 -1.672 5.402 501 HA TYR 66 HA TYR 66 -2.513 -1.304 7.848 502 HB2 TYR 66 HB2 TYR 66 -1.749 -2.549 5.175 503 HB3 TYR 66 HB3 TYR 66 -0.706 -2.524 6.596 504 HD1 TYR 66 HD2 TYR 66 -3.698 -2.997 8.184 505 HD2 TYR 66 HD1 TYR 66 -1.181 -5.083 5.432 506 HE1 TYR 66 HE2 TYR 66 -4.630 -5.138 8.949 507 HE2 TYR 66 HE1 TYR 66 -2.114 -7.221 6.197 508 HH TYR 66 HH TYR 66 -4.910 -7.456 8.050 509 H VAL 67 H VAL 67 -3.124 0.722 5.263 510 HA VAL 67 HA VAL 67 -0.662 2.286 5.790 511 HB VAL 67 HB VAL 67 -0.583 3.046 3.479 512 HG11 VAL 67 HG11 VAL 67 0.138 0.974 2.384 513 HG12 VAL 67 HG12 VAL 67 -0.692 0.015 3.614 514 HG13 VAL 67 HG13 VAL 67 0.680 1.033 4.061 515 HG21 VAL 67 HG21 VAL 67 -2.956 1.215 2.913 516 HG22 VAL 67 HG22 VAL 67 -2.015 2.082 1.692 517 HG23 VAL 67 HG23 VAL 67 -2.962 2.980 2.879 518 H LYS 68 H LYS 68 -0.911 4.605 5.298 519 HA LYS 68 HA LYS 68 -3.656 5.645 5.660 520 HB2 LYS 68 HB2 LYS 68 -2.371 5.573 7.843 521 HB3 LYS 68 HB3 LYS 68 -1.167 6.645 7.133 522 HG2 LYS 68 HG2 LYS 68 -2.965 8.366 6.816 523 HG3 LYS 68 HG3 LYS 68 -4.087 7.288 7.655 524 HD2 LYS 68 HD2 LYS 68 -2.628 7.385 9.679 525 HD3 LYS 68 HD3 LYS 68 -1.551 8.499 8.830 526 HE2 LYS 68 HE2 LYS 68 -3.442 10.115 8.630 527 HE3 LYS 68 HE3 LYS 68 -4.451 9.008 9.566 528 HZ1 LYS 68 HZ1 LYS 68 -3.519 10.733 10.962 529 HZ2 LYS 68 HZ2 LYS 68 -1.949 10.301 10.513 530 HZ3 LYS 68 HZ3 LYS 68 -2.894 9.225 11.411 531 H LEU 69 H LEU 69 -4.083 6.959 3.960 532 HA LEU 69 HA LEU 69 -2.154 7.595 2.001 533 HB2 LEU 69 HB2 LEU 69 -4.970 8.713 2.384 534 HB3 LEU 69 HB3 LEU 69 -4.011 8.878 0.922 535 HG LEU 69 HG LEU 69 -5.083 6.266 2.055 536 HD11 LEU 69 HD11 LEU 69 -6.843 7.665 1.074 537 HD12 LEU 69 HD12 LEU 69 -6.554 6.226 0.102 538 HD13 LEU 69 HD13 LEU 69 -5.929 7.791 -0.431 539 HD21 LEU 69 HD21 LEU 69 -2.944 5.878 0.970 540 HD22 LEU 69 HD22 LEU 69 -3.473 6.752 -0.469 541 HD23 LEU 69 HD23 LEU 69 -4.248 5.231 -0.020 542 H LEU 70 H LEU 70 -0.555 8.998 2.414 543 HA LEU 70 HA LEU 70 -0.877 11.439 3.932 544 HB2 LEU 70 HB2 LEU 70 1.476 10.557 2.213 545 HB3 LEU 70 HB3 LEU 70 1.488 11.847 3.398 546 HG LEU 70 HG LEU 70 1.225 8.872 3.984 547 HD11 LEU 70 HD11 LEU 70 3.447 9.088 5.013 548 HD12 LEU 70 HD12 LEU 70 3.525 10.781 4.512 549 HD13 LEU 70 HD13 LEU 70 3.474 9.499 3.300 550 HD21 LEU 70 HD21 LEU 70 1.351 9.466 6.370 551 HD22 LEU 70 HD22 LEU 70 -0.091 10.128 5.610 552 HD23 LEU 70 HD23 LEU 70 1.281 11.184 5.957 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -10.300 14.683 -33.940 2 H2 MET 1 H2 MET 1 -10.390 16.180 -34.715 3 H3 MET 1 H3 MET 1 -11.795 15.427 -34.158 4 HA MET 1 HA MET 1 -9.593 16.309 -32.409 5 HB2 MET 1 HB2 MET 1 -12.269 17.683 -32.939 6 HB3 MET 1 HB3 MET 1 -11.124 18.159 -31.688 7 HG2 MET 1 HG2 MET 1 -10.903 19.659 -33.557 8 HG3 MET 1 HG3 MET 1 -9.452 18.653 -33.476 9 HE1 MET 1 HE1 MET 1 -8.747 19.264 -36.013 10 HE2 MET 1 HE2 MET 1 -10.130 20.358 -36.050 11 HE3 MET 1 HE3 MET 1 -9.887 19.197 -37.355 12 H GLY 2 H GLY 2 -10.179 16.232 -30.141 13 HA2 GLY 2 HA2 GLY 2 -11.842 13.943 -29.438 14 HA3 GLY 2 HA3 GLY 2 -10.808 14.879 -28.367 15 H HIS 3 H HIS 3 -13.443 14.034 -27.736 16 HA HIS 3 HA HIS 3 -15.358 16.159 -27.898 17 HB2 HIS 3 HB2 HIS 3 -15.160 13.947 -25.792 18 HB3 HIS 3 HB3 HIS 3 -16.579 14.933 -26.128 19 HD1 HIS 3 HD1 HIS 3 -14.967 11.801 -27.046 20 HD2 HIS 3 HD2 HIS 3 -17.748 14.353 -28.772 21 HE1 HIS 3 HE1 HIS 3 -16.125 10.436 -28.797 22 HE2 HIS 3 HE2 HIS 3 -17.619 12.077 -29.983 23 H HIS 4 H HIS 4 -12.715 15.404 -25.767 24 HA HIS 4 HA HIS 4 -12.686 18.139 -24.696 25 HB2 HIS 4 HB2 HIS 4 -12.351 15.637 -22.952 26 HB3 HIS 4 HB3 HIS 4 -12.079 17.287 -22.419 27 HD1 HIS 4 HD1 HIS 4 -14.359 18.849 -22.525 28 HD2 HIS 4 HD2 HIS 4 -14.857 14.719 -22.409 29 HE1 HIS 4 HE1 HIS 4 -16.716 18.467 -21.746 30 HE2 HIS 4 HE2 HIS 4 -16.891 15.981 -21.434 31 H HIS 5 H HIS 5 -10.600 18.931 -25.088 32 HA HIS 5 HA HIS 5 -8.732 17.133 -26.364 33 HB2 HIS 5 HB2 HIS 5 -9.119 19.437 -27.239 34 HB3 HIS 5 HB3 HIS 5 -8.381 20.107 -25.784 35 HD1 HIS 5 HD1 HIS 5 -7.286 17.474 -28.324 36 HD2 HIS 5 HD2 HIS 5 -5.811 20.841 -26.382 37 HE1 HIS 5 HE1 HIS 5 -4.914 17.717 -29.108 38 HE2 HIS 5 HE2 HIS 5 -4.153 19.893 -28.115 39 H HIS 6 H HIS 6 -8.277 15.793 -24.626 40 HA HIS 6 HA HIS 6 -5.784 15.884 -23.502 41 HB2 HIS 6 HB2 HIS 6 -7.814 17.105 -21.643 42 HB3 HIS 6 HB3 HIS 6 -6.858 15.822 -20.908 43 HD1 HIS 6 HD1 HIS 6 -6.769 19.379 -21.606 44 HD2 HIS 6 HD2 HIS 6 -3.960 16.360 -21.078 45 HE1 HIS 6 HE1 HIS 6 -4.606 20.546 -21.069 46 HE2 HIS 6 HE2 HIS 6 -2.913 18.697 -20.843 47 H HIS 7 H HIS 7 -9.087 14.791 -23.378 48 HA HIS 7 HA HIS 7 -10.143 12.825 -23.150 49 HB2 HIS 7 HB2 HIS 7 -8.647 12.221 -25.097 50 HB3 HIS 7 HB3 HIS 7 -7.511 11.500 -23.964 51 HD1 HIS 7 HD1 HIS 7 -8.158 9.223 -22.949 52 HD2 HIS 7 HD2 HIS 7 -11.032 10.731 -25.544 53 HE1 HIS 7 HE1 HIS 7 -9.738 7.320 -23.382 54 HE2 HIS 7 HE2 HIS 7 -11.423 8.233 -25.010 55 H HIS 8 H HIS 8 -10.014 13.582 -20.898 56 HA HIS 8 HA HIS 8 -8.949 11.504 -19.113 57 HB2 HIS 8 HB2 HIS 8 -8.387 14.490 -18.869 58 HB3 HIS 8 HB3 HIS 8 -8.273 13.393 -17.492 59 HD1 HIS 8 HD1 HIS 8 -6.042 15.039 -19.483 60 HD2 HIS 8 HD2 HIS 8 -6.448 11.010 -18.554 61 HE1 HIS 8 HE1 HIS 8 -3.778 14.023 -19.894 62 HE2 HIS 8 HE2 HIS 8 -4.114 11.571 -19.500 63 H SER 9 H SER 9 -11.082 10.820 -19.003 64 HA SER 9 HA SER 9 -13.283 12.366 -18.088 65 HB2 SER 9 HB2 SER 9 -14.279 10.065 -17.635 66 HB3 SER 9 HB3 SER 9 -13.674 10.291 -19.274 67 HG SER 9 HG SER 9 -12.885 8.348 -18.604 68 H HIS 10 H HIS 10 -10.885 10.317 -16.497 69 HA HIS 10 HA HIS 10 -11.938 10.755 -13.821 70 HB2 HIS 10 HB2 HIS 10 -9.363 9.400 -14.723 71 HB3 HIS 10 HB3 HIS 10 -10.047 9.334 -13.105 72 HD1 HIS 10 HD1 HIS 10 -12.012 7.706 -12.704 73 HD2 HIS 10 HD2 HIS 10 -10.627 7.720 -16.628 74 HE1 HIS 10 HE1 HIS 10 -13.039 5.695 -13.804 75 HE2 HIS 10 HE2 HIS 10 -12.212 5.745 -16.176 76 H MET 11 H MET 11 -10.899 11.953 -12.200 77 HA MET 11 HA MET 11 -9.567 14.356 -13.011 78 HB2 MET 11 HB2 MET 11 -10.083 13.227 -10.223 79 HB3 MET 11 HB3 MET 11 -9.533 14.866 -10.553 80 HG2 MET 11 HG2 MET 11 -11.636 15.348 -11.717 81 HG3 MET 11 HG3 MET 11 -12.183 13.694 -11.443 82 HE1 MET 11 HE1 MET 11 -11.233 13.122 -8.418 83 HE2 MET 11 HE2 MET 11 -12.844 12.717 -9.017 84 HE3 MET 11 HE3 MET 11 -12.665 13.639 -7.527 85 H ILE 12 H ILE 12 -7.427 14.853 -12.957 86 HA ILE 12 HA ILE 12 -5.507 12.687 -12.707 87 HB ILE 12 HB ILE 12 -5.088 15.619 -13.476 88 HG12 ILE 12 HG12 ILE 12 -4.496 14.575 -15.758 89 HG13 ILE 12 HG13 ILE 12 -5.157 13.067 -15.144 90 HG21 ILE 12 HG21 ILE 12 -2.777 14.994 -14.135 91 HG22 ILE 12 HG22 ILE 12 -3.024 13.382 -13.463 92 HG23 ILE 12 HG23 ILE 12 -3.039 14.790 -12.400 93 HD11 ILE 12 HD11 ILE 12 -6.692 15.641 -15.426 94 HD12 ILE 12 HD12 ILE 12 -7.345 14.073 -14.947 95 HD13 ILE 12 HD13 ILE 12 -6.708 14.304 -16.572 96 H ARG 13 H ARG 13 -4.675 12.164 -10.798 97 HA ARG 13 HA ARG 13 -3.385 14.069 -9.099 98 HB2 ARG 13 HB2 ARG 13 -5.764 14.306 -8.332 99 HB3 ARG 13 HB3 ARG 13 -5.807 12.584 -7.956 100 HG2 ARG 13 HG2 ARG 13 -4.017 12.911 -6.273 101 HG3 ARG 13 HG3 ARG 13 -3.992 14.638 -6.640 102 HD2 ARG 13 HD2 ARG 13 -6.372 14.800 -5.914 103 HD3 ARG 13 HD3 ARG 13 -6.340 13.084 -5.492 104 HE ARG 13 HE ARG 13 -4.252 14.211 -4.103 105 HH11 ARG 13 HH11 ARG 13 -7.742 14.719 -4.207 106 HH12 ARG 13 HH12 ARG 13 -7.831 15.249 -2.557 107 HH21 ARG 13 HH21 ARG 13 -4.380 14.881 -1.949 108 HH22 ARG 13 HH22 ARG 13 -5.911 15.345 -1.271 109 H SER 14 H SER 14 -2.046 13.036 -7.533 110 HA SER 14 HA SER 14 -1.769 10.102 -7.694 111 HB2 SER 14 HB2 SER 14 -0.133 11.357 -9.195 112 HB3 SER 14 HB3 SER 14 0.553 12.091 -7.749 113 HG SER 14 HG SER 14 0.542 9.375 -8.526 114 H ARG 15 H ARG 15 -1.980 9.353 -5.664 115 HA ARG 15 HA ARG 15 -1.743 11.124 -3.333 116 HB2 ARG 15 HB2 ARG 15 -2.884 8.333 -3.710 117 HB3 ARG 15 HB3 ARG 15 -2.697 9.044 -2.120 118 HG2 ARG 15 HG2 ARG 15 -4.356 10.300 -4.319 119 HG3 ARG 15 HG3 ARG 15 -5.009 9.180 -3.122 120 HD2 ARG 15 HD2 ARG 15 -4.154 10.786 -1.327 121 HD3 ARG 15 HD3 ARG 15 -3.823 11.929 -2.632 122 HE ARG 15 HE ARG 15 -6.298 11.666 -3.170 123 HH11 ARG 15 HH11 ARG 15 -5.049 11.420 0.106 124 HH12 ARG 15 HH12 ARG 15 -6.522 11.944 0.849 125 HH21 ARG 15 HH21 ARG 15 -8.230 12.371 -2.201 126 HH22 ARG 15 HH22 ARG 15 -8.345 12.492 -0.475 127 H LYS 16 H LYS 16 -0.647 10.367 -1.427 128 HA LYS 16 HA LYS 16 1.366 8.220 -1.789 129 HB2 LYS 16 HB2 LYS 16 1.634 10.761 -0.108 130 HB3 LYS 16 HB3 LYS 16 2.788 9.428 -0.128 131 HG2 LYS 16 HG2 LYS 16 3.306 9.839 -2.476 132 HG3 LYS 16 HG3 LYS 16 2.065 11.093 -2.557 133 HD2 LYS 16 HD2 LYS 16 4.286 12.110 -2.374 134 HD3 LYS 16 HD3 LYS 16 3.329 12.463 -0.936 135 HE2 LYS 16 HE2 LYS 16 4.551 10.836 0.359 136 HE3 LYS 16 HE3 LYS 16 5.365 10.228 -1.081 137 HZ1 LYS 16 HZ1 LYS 16 6.438 12.384 -1.327 138 HZ2 LYS 16 HZ2 LYS 16 6.815 11.672 0.159 139 HZ3 LYS 16 HZ3 LYS 16 5.697 12.931 0.086 140 H ALA 17 H ALA 17 1.933 7.215 0.328 141 HA ALA 17 HA ALA 17 -0.040 7.366 2.476 142 HB1 ALA 17 HB1 ALA 17 -1.107 5.747 0.931 143 HB2 ALA 17 HB2 ALA 17 -0.590 4.954 2.421 144 HB3 ALA 17 HB3 ALA 17 0.355 4.757 0.943 145 H ARG 18 H ARG 18 0.602 5.985 4.309 146 HA ARG 18 HA ARG 18 3.371 4.975 4.275 147 HB2 ARG 18 HB2 ARG 18 3.497 7.219 5.278 148 HB3 ARG 18 HB3 ARG 18 2.220 6.820 6.423 149 HG2 ARG 18 HG2 ARG 18 3.641 5.237 7.568 150 HG3 ARG 18 HG3 ARG 18 4.880 5.352 6.313 151 HD2 ARG 18 HD2 ARG 18 5.439 6.607 8.405 152 HD3 ARG 18 HD3 ARG 18 5.410 7.625 6.960 153 HE ARG 18 HE ARG 18 3.077 7.479 8.764 154 HH11 ARG 18 HH11 ARG 18 5.553 9.436 7.221 155 HH12 ARG 18 HH12 ARG 18 4.851 10.938 7.729 156 HH21 ARG 18 HH21 ARG 18 2.172 9.450 9.430 157 HH22 ARG 18 HH22 ARG 18 2.937 10.944 8.984 158 H ALA 19 H ALA 19 3.280 2.952 4.845 159 HA ALA 19 HA ALA 19 1.111 1.549 5.856 160 HB1 ALA 19 HB1 ALA 19 2.972 0.477 4.687 161 HB2 ALA 19 HB2 ALA 19 2.745 -0.272 6.269 162 HB3 ALA 19 HB3 ALA 19 4.066 0.875 6.013 163 H VAL 20 H VAL 20 0.194 1.766 7.789 164 HA VAL 20 HA VAL 20 1.755 2.466 10.194 165 HB VAL 20 HB VAL 20 -0.514 2.764 11.283 166 HG11 VAL 20 HG11 VAL 20 0.727 4.695 10.399 167 HG12 VAL 20 HG12 VAL 20 -1.009 4.919 10.186 168 HG13 VAL 20 HG13 VAL 20 -0.004 4.462 8.807 169 HG21 VAL 20 HG21 VAL 20 -2.532 2.921 9.835 170 HG22 VAL 20 HG22 VAL 20 -1.857 1.291 9.826 171 HG23 VAL 20 HG23 VAL 20 -1.580 2.363 8.452 172 H TYR 21 H TYR 21 0.159 -0.207 8.649 173 HA TYR 21 HA TYR 21 0.946 -1.953 10.909 174 HB2 TYR 21 HB2 TYR 21 -1.345 -2.518 8.961 175 HB3 TYR 21 HB3 TYR 21 -0.915 -3.452 10.390 176 HD1 TYR 21 HD2 TYR 21 -0.743 -1.568 12.562 177 HD2 TYR 21 HD1 TYR 21 -3.457 -1.536 9.257 178 HE1 TYR 21 HE2 TYR 21 -2.332 -0.237 13.873 179 HE2 TYR 21 HE1 TYR 21 -5.045 -0.196 10.574 180 HH TYR 21 HH TYR 21 -4.194 1.369 13.444 181 HA PRO 22 HA PRO 22 3.438 -3.779 7.584 182 HB2 PRO 22 HB2 PRO 22 4.343 -6.021 8.851 183 HB3 PRO 22 HB3 PRO 22 4.910 -4.396 9.294 184 HG2 PRO 22 HG2 PRO 22 2.828 -6.085 10.649 185 HG3 PRO 22 HG3 PRO 22 4.152 -5.141 11.372 186 HD2 PRO 22 HD2 PRO 22 1.574 -4.218 11.243 187 HD3 PRO 22 HD3 PRO 22 2.989 -3.138 11.216 188 H CYS 23 H CYS 23 3.259 -5.381 6.021 189 HA CYS 23 HA CYS 23 1.276 -7.539 6.293 190 HB2 CYS 23 HB2 CYS 23 0.087 -5.673 5.179 191 HB3 CYS 23 HB3 CYS 23 1.345 -5.586 3.949 192 HG CYS 23 HG CYS 23 -1.386 -7.208 3.793 193 H GLU 24 H GLU 24 1.571 -9.204 4.702 194 HA GLU 24 HA GLU 24 4.282 -9.302 3.481 195 HB2 GLU 24 HB2 GLU 24 4.193 -11.778 3.924 196 HB3 GLU 24 HB3 GLU 24 4.221 -10.803 5.388 197 HG2 GLU 24 HG2 GLU 24 1.735 -11.101 5.578 198 HG3 GLU 24 HG3 GLU 24 1.796 -12.182 4.186 199 H ALA 25 H ALA 25 4.421 -10.516 1.488 200 HA ALA 25 HA ALA 25 2.112 -10.133 -0.221 201 HB1 ALA 25 HB1 ALA 25 4.380 -9.634 -1.036 202 HB2 ALA 25 HB2 ALA 25 3.581 -10.844 -2.039 203 HB3 ALA 25 HB3 ALA 25 4.823 -11.335 -0.877 204 H GLU 26 H GLU 26 0.501 -11.572 -0.031 205 HA GLU 26 HA GLU 26 0.728 -14.187 1.026 206 HB2 GLU 26 HB2 GLU 26 -1.676 -14.436 0.368 207 HB3 GLU 26 HB3 GLU 26 -1.348 -12.939 1.240 208 HG2 GLU 26 HG2 GLU 26 -1.310 -11.693 -0.881 209 HG3 GLU 26 HG3 GLU 26 -1.627 -13.185 -1.764 210 H HIS 27 H HIS 27 0.752 -12.997 -2.311 211 HA HIS 27 HA HIS 27 1.494 -15.732 -3.216 212 HB2 HIS 27 HB2 HIS 27 -0.819 -15.371 -3.926 213 HB3 HIS 27 HB3 HIS 27 -0.393 -13.830 -4.665 214 HD2 HIS 27 HD2 HIS 27 0.495 -17.659 -5.257 215 HE1 HIS 27 HE1 HIS 27 0.555 -15.552 -8.925 216 HE2 HIS 27 HE2 HIS 27 0.919 -17.795 -7.809 217 H SER 28 H SER 28 1.251 -12.583 -4.961 218 HA SER 28 HA SER 28 4.155 -12.422 -5.212 219 HB2 SER 28 HB2 SER 28 3.530 -14.100 -6.954 220 HB3 SER 28 HB3 SER 28 2.432 -12.923 -7.684 221 HG SER 28 HG SER 28 4.118 -11.777 -8.404 222 H SER 29 H SER 29 1.152 -11.245 -6.819 223 HA SER 29 HA SER 29 2.199 -8.755 -7.638 224 HB2 SER 29 HB2 SER 29 -0.728 -9.482 -7.172 225 HB3 SER 29 HB3 SER 29 -0.125 -8.168 -8.181 226 HG SER 29 HG SER 29 -0.733 -10.348 -9.144 227 H GLU 30 H GLU 30 1.091 -9.765 -4.584 228 HA GLU 30 HA GLU 30 0.207 -7.268 -3.487 229 HB2 GLU 30 HB2 GLU 30 1.052 -9.898 -2.164 230 HB3 GLU 30 HB3 GLU 30 0.351 -8.542 -1.300 231 HG2 GLU 30 HG2 GLU 30 -1.345 -10.189 -1.674 232 HG3 GLU 30 HG3 GLU 30 -1.722 -8.765 -2.631 233 H LEU 31 H LEU 31 1.357 -5.841 -2.215 234 HA LEU 31 HA LEU 31 4.268 -6.008 -2.207 235 HB2 LEU 31 HB2 LEU 31 2.359 -3.825 -1.307 236 HB3 LEU 31 HB3 LEU 31 4.096 -3.725 -1.047 237 HG LEU 31 HG LEU 31 2.721 -3.896 -3.746 238 HD11 LEU 31 HD11 LEU 31 3.493 -1.588 -4.073 239 HD12 LEU 31 HD12 LEU 31 4.137 -1.557 -2.429 240 HD13 LEU 31 HD13 LEU 31 2.399 -1.713 -2.699 241 HD21 LEU 31 HD21 LEU 31 4.897 -5.010 -3.821 242 HD22 LEU 31 HD22 LEU 31 5.675 -3.573 -3.152 243 HD23 LEU 31 HD23 LEU 31 4.915 -3.510 -4.744 244 H SER 32 H SER 32 5.362 -6.795 -0.634 245 HA SER 32 HA SER 32 4.382 -7.146 2.093 246 HB2 SER 32 HB2 SER 32 6.692 -8.119 2.455 247 HB3 SER 32 HB3 SER 32 5.786 -8.928 1.173 248 HG SER 32 HG SER 32 7.959 -7.134 0.961 249 H PHE 33 H PHE 33 5.069 -5.820 3.812 250 HA PHE 33 HA PHE 33 7.001 -3.750 3.577 251 HB2 PHE 33 HB2 PHE 33 5.405 -1.799 3.709 252 HB3 PHE 33 HB3 PHE 33 5.411 -2.625 2.162 253 HD1 PHE 33 HD1 PHE 33 3.445 -2.238 5.325 254 HD2 PHE 33 HD2 PHE 33 3.390 -3.473 1.233 255 HE1 PHE 33 HE1 PHE 33 0.992 -2.339 5.383 256 HE2 PHE 33 HE2 PHE 33 0.930 -3.579 1.303 257 HZ PHE 33 HZ PHE 33 -0.267 -3.007 3.380 258 H GLU 34 H GLU 34 6.747 -2.137 5.398 259 HA GLU 34 HA GLU 34 5.690 -3.312 7.894 260 HB2 GLU 34 HB2 GLU 34 8.527 -2.299 7.412 261 HB3 GLU 34 HB3 GLU 34 7.859 -2.575 9.017 262 HG2 GLU 34 HG2 GLU 34 7.606 -4.967 8.522 263 HG3 GLU 34 HG3 GLU 34 8.212 -4.708 6.888 264 H ILE 35 H ILE 35 5.989 -1.615 9.723 265 HA ILE 35 HA ILE 35 4.516 0.708 9.104 266 HB ILE 35 HB ILE 35 6.200 0.174 11.598 267 HG12 ILE 35 HG12 ILE 35 3.231 -0.364 11.126 268 HG13 ILE 35 HG13 ILE 35 4.480 -1.601 11.117 269 HG21 ILE 35 HG21 ILE 35 4.722 1.826 12.726 270 HG22 ILE 35 HG22 ILE 35 3.892 2.125 11.199 271 HG23 ILE 35 HG23 ILE 35 5.589 2.567 11.378 272 HD11 ILE 35 HD11 ILE 35 3.660 0.078 13.484 273 HD12 ILE 35 HD12 ILE 35 4.953 -1.126 13.479 274 HD13 ILE 35 HD13 ILE 35 3.285 -1.621 13.200 275 H GLY 36 H GLY 36 5.160 2.531 8.162 276 HA2 GLY 36 HA2 GLY 36 6.572 4.519 8.247 277 HA3 GLY 36 HA3 GLY 36 7.975 3.475 8.415 278 H ALA 37 H ALA 37 6.304 1.790 6.267 279 HA ALA 37 HA ALA 37 7.927 2.478 4.072 280 HB1 ALA 37 HB1 ALA 37 7.120 0.181 4.451 281 HB2 ALA 37 HB2 ALA 37 6.655 0.749 2.849 282 HB3 ALA 37 HB3 ALA 37 5.460 0.697 4.146 283 H ILE 38 H ILE 38 7.669 4.315 2.996 284 HA ILE 38 HA ILE 38 5.087 5.580 2.539 285 HB ILE 38 HB ILE 38 7.813 6.389 1.404 286 HG12 ILE 38 HG12 ILE 38 7.791 6.377 3.917 287 HG13 ILE 38 HG13 ILE 38 8.001 7.989 3.248 288 HG21 ILE 38 HG21 ILE 38 5.958 7.390 0.148 289 HG22 ILE 38 HG22 ILE 38 6.753 8.630 1.115 290 HG23 ILE 38 HG23 ILE 38 5.206 7.961 1.641 291 HD11 ILE 38 HD11 ILE 38 5.419 6.871 4.333 292 HD12 ILE 38 HD12 ILE 38 5.674 8.512 3.733 293 HD13 ILE 38 HD13 ILE 38 6.515 7.958 5.178 294 H PHE 39 H PHE 39 3.905 5.517 0.698 295 HA PHE 39 HA PHE 39 4.914 3.968 -1.623 296 HB2 PHE 39 HB2 PHE 39 2.041 4.206 -0.608 297 HB3 PHE 39 HB3 PHE 39 2.568 3.273 -2.009 298 HD1 PHE 39 HD1 PHE 39 4.121 1.277 -1.647 299 HD2 PHE 39 HD2 PHE 39 2.133 3.248 1.599 300 HE1 PHE 39 HE1 PHE 39 4.524 -0.670 -0.195 301 HE2 PHE 39 HE2 PHE 39 2.551 1.288 3.026 302 HZ PHE 39 HZ PHE 39 3.744 -0.649 2.130 303 H GLU 40 H GLU 40 4.939 4.990 -3.515 304 HA GLU 40 HA GLU 40 3.800 7.686 -3.802 305 HB2 GLU 40 HB2 GLU 40 5.678 6.188 -5.681 306 HB3 GLU 40 HB3 GLU 40 5.251 7.893 -5.755 307 HG2 GLU 40 HG2 GLU 40 6.835 6.546 -3.571 308 HG3 GLU 40 HG3 GLU 40 7.498 7.562 -4.846 309 H ASP 41 H ASP 41 2.371 8.198 -5.426 310 HA ASP 41 HA ASP 41 0.693 8.013 -6.891 311 HB2 ASP 41 HB2 ASP 41 2.555 7.445 -8.453 312 HB3 ASP 41 HB3 ASP 41 2.392 5.740 -8.045 313 H VAL 42 H VAL 42 0.161 6.958 -4.505 314 HA VAL 42 HA VAL 42 -0.964 4.337 -4.546 315 HB VAL 42 HB VAL 42 -1.653 6.667 -2.703 316 HG11 VAL 42 HG11 VAL 42 -2.467 4.914 -1.142 317 HG12 VAL 42 HG12 VAL 42 -2.180 3.686 -2.377 318 HG13 VAL 42 HG13 VAL 42 -3.396 4.939 -2.641 319 HG21 VAL 42 HG21 VAL 42 0.344 4.414 -2.333 320 HG22 VAL 42 HG22 VAL 42 -0.063 5.645 -1.136 321 HG23 VAL 42 HG23 VAL 42 0.735 6.110 -2.638 322 H GLN 43 H GLN 43 -2.631 3.773 -5.655 323 HA GLN 43 HA GLN 43 -4.780 5.659 -6.430 324 HB2 GLN 43 HB2 GLN 43 -3.570 3.385 -8.096 325 HB3 GLN 43 HB3 GLN 43 -4.882 4.447 -8.596 326 HG2 GLN 43 HG2 GLN 43 -3.287 6.382 -8.507 327 HG3 GLN 43 HG3 GLN 43 -1.990 5.249 -8.132 328 HE21 GLN 43 HE21 GLN 43 -2.103 7.021 -10.392 329 HE22 GLN 43 HE22 GLN 43 -2.088 6.027 -11.808 330 H THR 44 H THR 44 -6.864 4.479 -6.736 331 HA THR 44 HA THR 44 -7.152 2.271 -4.870 332 HB THR 44 HB THR 44 -9.280 3.497 -6.659 333 HG1 THR 44 HG1 THR 44 -7.955 4.584 -4.593 334 HG21 THR 44 HG21 THR 44 -9.505 1.915 -4.071 335 HG22 THR 44 HG22 THR 44 -9.935 1.319 -5.675 336 HG23 THR 44 HG23 THR 44 -10.859 2.637 -4.953 337 H SER 45 H SER 45 -7.479 0.171 -5.413 338 HA SER 45 HA SER 45 -7.029 -0.694 -8.171 339 HB2 SER 45 HB2 SER 45 -5.794 -1.796 -6.308 340 HB3 SER 45 HB3 SER 45 -7.322 -2.313 -5.597 341 HG SER 45 HG SER 45 -6.713 -4.022 -6.767 342 H ARG 46 H ARG 46 -8.416 -2.442 -9.040 343 HA ARG 46 HA ARG 46 -11.229 -1.885 -8.843 344 HB2 ARG 46 HB2 ARG 46 -11.460 -3.835 -10.436 345 HB3 ARG 46 HB3 ARG 46 -10.389 -2.556 -10.990 346 HG2 ARG 46 HG2 ARG 46 -8.427 -3.894 -10.321 347 HG3 ARG 46 HG3 ARG 46 -9.498 -5.183 -9.771 348 HD2 ARG 46 HD2 ARG 46 -9.427 -4.176 -12.634 349 HD3 ARG 46 HD3 ARG 46 -8.468 -5.537 -12.046 350 HE ARG 46 HE ARG 46 -11.321 -5.756 -11.557 351 HH11 ARG 46 HH11 ARG 46 -8.718 -6.502 -13.806 352 HH12 ARG 46 HH12 ARG 46 -9.589 -7.791 -14.581 353 HH21 ARG 46 HH21 ARG 46 -12.469 -7.465 -12.573 354 HH22 ARG 46 HH22 ARG 46 -11.723 -8.336 -13.879 355 H GLU 47 H GLU 47 -9.041 -4.154 -7.334 356 HA GLU 47 HA GLU 47 -10.973 -5.792 -6.017 357 HB2 GLU 47 HB2 GLU 47 -8.106 -5.041 -5.311 358 HB3 GLU 47 HB3 GLU 47 -9.074 -6.098 -4.297 359 HG2 GLU 47 HG2 GLU 47 -7.628 -7.453 -5.632 360 HG3 GLU 47 HG3 GLU 47 -9.283 -7.693 -6.175 361 HA PRO 48 HA PRO 48 -12.598 -2.469 -3.301 362 HB2 PRO 48 HB2 PRO 48 -13.871 -4.788 -1.855 363 HB3 PRO 48 HB3 PRO 48 -14.630 -3.338 -2.547 364 HG2 PRO 48 HG2 PRO 48 -14.904 -5.712 -3.739 365 HG3 PRO 48 HG3 PRO 48 -14.703 -4.232 -4.706 366 HD2 PRO 48 HD2 PRO 48 -12.651 -6.348 -4.041 367 HD3 PRO 48 HD3 PRO 48 -12.950 -5.502 -5.581 368 H GLY 49 H GLY 49 -11.434 -1.579 -1.716 369 HA2 GLY 49 HA2 GLY 49 -10.504 -1.322 0.407 370 HA3 GLY 49 HA3 GLY 49 -10.645 -3.049 0.684 371 H TRP 50 H TRP 50 -9.195 -2.712 -2.277 372 HA TRP 50 HA TRP 50 -6.471 -2.779 -1.130 373 HB2 TRP 50 HB2 TRP 50 -7.555 -4.009 -3.701 374 HB3 TRP 50 HB3 TRP 50 -5.848 -3.983 -3.266 375 HD1 TRP 50 HD1 TRP 50 -9.194 -5.604 -2.138 376 HE1 TRP 50 HE1 TRP 50 -8.651 -7.690 -0.729 377 HE3 TRP 50 HE3 TRP 50 -4.097 -5.160 -1.919 378 HZ2 TRP 50 HZ2 TRP 50 -6.382 -8.977 0.325 379 HZ3 TRP 50 HZ3 TRP 50 -2.816 -6.866 -0.692 380 HH2 TRP 50 HH2 TRP 50 -3.933 -8.742 0.402 381 H LEU 51 H LEU 51 -4.945 -1.441 -1.902 382 HA LEU 51 HA LEU 51 -5.608 0.541 -4.002 383 HB2 LEU 51 HB2 LEU 51 -3.663 0.818 -1.659 384 HB3 LEU 51 HB3 LEU 51 -4.023 2.059 -2.851 385 HG LEU 51 HG LEU 51 -5.976 0.965 -0.787 386 HD11 LEU 51 HD11 LEU 51 -4.615 3.672 -0.888 387 HD12 LEU 51 HD12 LEU 51 -4.246 2.361 0.236 388 HD13 LEU 51 HD13 LEU 51 -5.821 3.148 0.292 389 HD21 LEU 51 HD21 LEU 51 -7.499 2.759 -1.511 390 HD22 LEU 51 HD22 LEU 51 -7.181 1.602 -2.799 391 HD23 LEU 51 HD23 LEU 51 -6.389 3.179 -2.819 392 H GLU 52 H GLU 52 -3.887 0.973 -5.521 393 HA GLU 52 HA GLU 52 -1.601 -0.904 -5.477 394 HB2 GLU 52 HB2 GLU 52 -2.829 0.674 -7.788 395 HB3 GLU 52 HB3 GLU 52 -1.340 -0.266 -7.905 396 HG2 GLU 52 HG2 GLU 52 -2.633 -2.314 -7.277 397 HG3 GLU 52 HG3 GLU 52 -4.103 -1.345 -7.294 398 H GLY 53 H GLY 53 0.327 -0.073 -4.994 399 HA2 GLY 53 HA2 GLY 53 0.853 2.828 -5.194 400 HA3 GLY 53 HA3 GLY 53 0.968 2.057 -3.610 401 H THR 54 H THR 54 3.146 3.286 -4.929 402 HA THR 54 HA THR 54 4.828 1.064 -5.866 403 HB THR 54 HB THR 54 5.231 4.079 -6.123 404 HG1 THR 54 HG1 THR 54 3.456 2.872 -7.330 405 HG21 THR 54 HG21 THR 54 7.384 2.856 -6.193 406 HG22 THR 54 HG22 THR 54 6.971 3.488 -7.788 407 HG23 THR 54 HG23 THR 54 6.739 1.775 -7.429 408 H LEU 55 H LEU 55 6.263 0.273 -4.497 409 HA LEU 55 HA LEU 55 7.254 1.861 -2.207 410 HB2 LEU 55 HB2 LEU 55 5.944 -0.213 -1.629 411 HB3 LEU 55 HB3 LEU 55 7.132 -1.177 -2.491 412 HG LEU 55 HG LEU 55 8.884 -0.553 -0.861 413 HD11 LEU 55 HD11 LEU 55 8.391 0.772 1.148 414 HD12 LEU 55 HD12 LEU 55 6.762 1.098 0.548 415 HD13 LEU 55 HD13 LEU 55 8.167 1.721 -0.320 416 HD21 LEU 55 HD21 LEU 55 6.361 -1.495 0.539 417 HD22 LEU 55 HD22 LEU 55 8.019 -1.720 1.107 418 HD23 LEU 55 HD23 LEU 55 7.482 -2.511 -0.372 419 H ASN 56 H ASN 56 9.104 2.714 -2.800 420 HA ASN 56 HA ASN 56 11.235 3.049 -3.425 421 HB2 ASN 56 HB2 ASN 56 11.388 0.049 -3.871 422 HB3 ASN 56 HB3 ASN 56 12.755 1.134 -4.042 423 HD21 ASN 56 HD21 ASN 56 10.304 1.383 -1.471 424 HD22 ASN 56 HD22 ASN 56 11.375 0.981 -0.191 425 H GLY 57 H GLY 57 10.229 0.482 -5.659 426 HA2 GLY 57 HA2 GLY 57 9.512 2.345 -7.769 427 HA3 GLY 57 HA3 GLY 57 10.987 1.427 -8.083 428 H LYS 58 H LYS 58 8.367 0.068 -6.206 429 HA LYS 58 HA LYS 58 7.691 -1.812 -8.401 430 HB2 LYS 58 HB2 LYS 58 9.182 -2.848 -6.679 431 HB3 LYS 58 HB3 LYS 58 8.011 -2.439 -5.434 432 HG2 LYS 58 HG2 LYS 58 6.326 -3.894 -6.625 433 HG3 LYS 58 HG3 LYS 58 7.624 -4.408 -7.714 434 HD2 LYS 58 HD2 LYS 58 8.869 -5.368 -5.836 435 HD3 LYS 58 HD3 LYS 58 7.679 -4.745 -4.688 436 HE2 LYS 58 HE2 LYS 58 5.951 -6.187 -5.733 437 HE3 LYS 58 HE3 LYS 58 7.182 -6.845 -6.815 438 HZ1 LYS 58 HZ1 LYS 58 6.868 -8.313 -4.975 439 HZ2 LYS 58 HZ2 LYS 58 7.116 -7.077 -3.862 440 HZ3 LYS 58 HZ3 LYS 58 8.394 -7.605 -4.823 441 H ARG 59 H ARG 59 5.590 -1.842 -8.826 442 HA ARG 59 HA ARG 59 3.614 -0.634 -6.999 443 HB2 ARG 59 HB2 ARG 59 3.658 0.341 -9.237 444 HB3 ARG 59 HB3 ARG 59 3.548 -1.246 -9.984 445 HG2 ARG 59 HG2 ARG 59 1.256 -1.511 -9.076 446 HG3 ARG 59 HG3 ARG 59 1.363 0.098 -8.356 447 HD2 ARG 59 HD2 ARG 59 1.588 1.095 -10.602 448 HD3 ARG 59 HD3 ARG 59 1.550 -0.518 -11.325 449 HE ARG 59 HE ARG 59 -0.739 -0.741 -10.573 450 HH11 ARG 59 HH11 ARG 59 0.522 2.545 -10.563 451 HH12 ARG 59 HH12 ARG 59 -1.048 3.269 -10.634 452 HH21 ARG 59 HH21 ARG 59 -2.775 0.198 -10.670 453 HH22 ARG 59 HH22 ARG 59 -2.932 1.930 -10.698 454 H GLY 60 H GLY 60 1.960 -1.841 -6.143 455 HA2 GLY 60 HA2 GLY 60 1.026 -4.326 -7.227 456 HA3 GLY 60 HA3 GLY 60 2.069 -4.592 -5.834 457 H LEU 61 H LEU 61 -0.157 -5.604 -5.298 458 HA LEU 61 HA LEU 61 -2.283 -3.834 -4.512 459 HB2 LEU 61 HB2 LEU 61 -1.845 -6.811 -4.086 460 HB3 LEU 61 HB3 LEU 61 -3.247 -5.965 -3.455 461 HG LEU 61 HG LEU 61 -2.543 -6.392 -6.367 462 HD11 LEU 61 HD11 LEU 61 -4.634 -7.655 -6.441 463 HD12 LEU 61 HD12 LEU 61 -4.913 -7.333 -4.727 464 HD13 LEU 61 HD13 LEU 61 -3.538 -8.322 -5.229 465 HD21 LEU 61 HD21 LEU 61 -4.823 -4.729 -5.241 466 HD22 LEU 61 HD22 LEU 61 -4.628 -5.187 -6.936 467 HD23 LEU 61 HD23 LEU 61 -3.444 -4.132 -6.171 468 H ILE 62 H ILE 62 -2.573 -2.904 -2.668 469 HA ILE 62 HA ILE 62 -1.039 -3.605 -0.246 470 HB ILE 62 HB ILE 62 -2.074 -0.862 -1.134 471 HG12 ILE 62 HG12 ILE 62 0.814 -1.847 -1.007 472 HG13 ILE 62 HG13 ILE 62 -0.119 -1.632 -2.485 473 HG21 ILE 62 HG21 ILE 62 -0.859 0.044 0.811 474 HG22 ILE 62 HG22 ILE 62 -0.404 -1.587 1.298 475 HG23 ILE 62 HG23 ILE 62 -2.100 -1.106 1.316 476 HD11 ILE 62 HD11 ILE 62 0.689 0.545 -0.566 477 HD12 ILE 62 HD12 ILE 62 -0.284 0.762 -2.025 478 HD13 ILE 62 HD13 ILE 62 1.384 0.208 -2.151 479 HA PRO 63 HA PRO 63 -5.273 -3.886 1.596 480 HB2 PRO 63 HB2 PRO 63 -4.295 -4.142 4.211 481 HB3 PRO 63 HB3 PRO 63 -4.561 -5.504 3.106 482 HG2 PRO 63 HG2 PRO 63 -2.017 -4.075 3.759 483 HG3 PRO 63 HG3 PRO 63 -2.298 -5.815 3.522 484 HD2 PRO 63 HD2 PRO 63 -1.172 -4.287 1.600 485 HD3 PRO 63 HD3 PRO 63 -2.258 -5.636 1.194 486 H GLN 64 H GLN 64 -6.249 -1.950 1.622 487 HA GLN 64 HA GLN 64 -5.112 0.573 1.937 488 HB2 GLN 64 HB2 GLN 64 -7.175 0.268 0.700 489 HB3 GLN 64 HB3 GLN 64 -8.008 -0.331 2.128 490 HG2 GLN 64 HG2 GLN 64 -7.919 1.908 3.142 491 HG3 GLN 64 HG3 GLN 64 -7.021 2.516 1.754 492 HE21 GLN 64 HE21 GLN 64 -10.134 1.291 2.832 493 HE22 GLN 64 HE22 GLN 64 -11.052 1.929 1.513 494 H ASN 65 H ASN 65 -6.781 -1.414 4.303 495 HA ASN 65 HA ASN 65 -7.046 0.417 6.425 496 HB2 ASN 65 HB2 ASN 65 -8.232 -1.744 6.350 497 HB3 ASN 65 HB3 ASN 65 -6.707 -2.608 6.483 498 HD21 ASN 65 HD21 ASN 65 -7.742 0.262 8.365 499 HD22 ASN 65 HD22 ASN 65 -7.742 -0.550 9.885 500 H TYR 66 H TYR 66 -4.320 -1.500 5.342 501 HA TYR 66 HA TYR 66 -2.778 -1.239 7.782 502 HB2 TYR 66 HB2 TYR 66 -2.214 -2.500 5.075 503 HB3 TYR 66 HB3 TYR 66 -0.979 -2.383 6.326 504 HD1 TYR 66 HD2 TYR 66 -4.547 -3.080 7.187 505 HD2 TYR 66 HD1 TYR 66 -0.693 -4.794 6.500 506 HE1 TYR 66 HE2 TYR 66 -5.318 -5.203 8.152 507 HE2 TYR 66 HE1 TYR 66 -1.471 -6.909 7.473 508 HH TYR 66 HH TYR 66 -3.165 -7.776 8.926 509 H VAL 67 H VAL 67 -3.304 0.811 5.151 510 HA VAL 67 HA VAL 67 -0.814 2.304 5.768 511 HB VAL 67 HB VAL 67 -0.841 3.256 3.489 512 HG11 VAL 67 HG11 VAL 67 -0.758 0.220 3.527 513 HG12 VAL 67 HG12 VAL 67 0.562 1.314 3.944 514 HG13 VAL 67 HG13 VAL 67 -0.038 1.256 2.289 515 HG21 VAL 67 HG21 VAL 67 -3.231 3.064 2.944 516 HG22 VAL 67 HG22 VAL 67 -3.106 1.305 2.894 517 HG23 VAL 67 HG23 VAL 67 -2.256 2.286 1.693 518 H LYS 68 H LYS 68 -0.951 4.563 5.731 519 HA LYS 68 HA LYS 68 -3.640 5.736 6.160 520 HB2 LYS 68 HB2 LYS 68 -2.167 5.529 8.214 521 HB3 LYS 68 HB3 LYS 68 -0.976 6.560 7.432 522 HG2 LYS 68 HG2 LYS 68 -2.583 8.432 7.420 523 HG3 LYS 68 HG3 LYS 68 -3.811 7.386 8.146 524 HD2 LYS 68 HD2 LYS 68 -2.294 7.071 10.137 525 HD3 LYS 68 HD3 LYS 68 -1.179 8.241 9.428 526 HE2 LYS 68 HE2 LYS 68 -4.060 8.831 10.185 527 HE3 LYS 68 HE3 LYS 68 -2.651 9.234 11.168 528 HZ1 LYS 68 HZ1 LYS 68 -3.378 11.135 9.913 529 HZ2 LYS 68 HZ2 LYS 68 -3.253 10.282 8.459 530 HZ3 LYS 68 HZ3 LYS 68 -1.868 10.644 9.336 531 H LEU 69 H LEU 69 -4.122 7.024 4.469 532 HA LEU 69 HA LEU 69 -2.294 7.637 2.408 533 HB2 LEU 69 HB2 LEU 69 -5.052 8.784 2.983 534 HB3 LEU 69 HB3 LEU 69 -4.161 9.060 1.493 535 HG LEU 69 HG LEU 69 -5.197 6.371 2.476 536 HD11 LEU 69 HD11 LEU 69 -6.110 8.083 0.143 537 HD12 LEU 69 HD12 LEU 69 -6.979 7.838 1.660 538 HD13 LEU 69 HD13 LEU 69 -6.724 6.482 0.567 539 HD21 LEU 69 HD21 LEU 69 -3.092 6.065 1.278 540 HD22 LEU 69 HD22 LEU 69 -3.691 7.024 -0.076 541 HD23 LEU 69 HD23 LEU 69 -4.442 5.475 0.312 542 H LEU 70 H LEU 70 -0.759 9.115 2.438 543 HA LEU 70 HA LEU 70 -0.903 11.532 4.079 544 HB2 LEU 70 HB2 LEU 70 1.342 10.489 2.297 545 HB3 LEU 70 HB3 LEU 70 1.456 11.855 3.399 546 HG LEU 70 HG LEU 70 1.100 8.930 4.181 547 HD11 LEU 70 HD11 LEU 70 3.339 9.139 5.179 548 HD12 LEU 70 HD12 LEU 70 3.470 10.784 4.548 549 HD13 LEU 70 HD13 LEU 70 3.358 9.416 3.437 550 HD21 LEU 70 HD21 LEU 70 1.317 9.663 6.528 551 HD22 LEU 70 HD22 LEU 70 -0.130 10.317 5.767 552 HD23 LEU 70 HD23 LEU 70 1.280 11.351 6.007 Start of MODEL 7 1 H1 MET 1 H1 MET 1 9.200 -9.311 -23.073 2 H2 MET 1 H2 MET 1 7.761 -8.652 -23.661 3 H3 MET 1 H3 MET 1 9.241 -8.033 -24.179 4 HA MET 1 HA MET 1 9.781 -10.029 -25.298 5 HB2 MET 1 HB2 MET 1 8.690 -11.587 -23.708 6 HB3 MET 1 HB3 MET 1 7.107 -11.030 -24.231 7 HG2 MET 1 HG2 MET 1 7.593 -13.198 -25.213 8 HG3 MET 1 HG3 MET 1 7.537 -11.973 -26.486 9 HE1 MET 1 HE1 MET 1 8.712 -13.823 -28.074 10 HE2 MET 1 HE2 MET 1 8.879 -14.972 -26.743 11 HE3 MET 1 HE3 MET 1 10.282 -14.540 -27.720 12 H GLY 2 H GLY 2 6.242 -9.426 -25.229 13 HA2 GLY 2 HA2 GLY 2 6.370 -8.283 -27.965 14 HA3 GLY 2 HA3 GLY 2 5.247 -9.578 -27.568 15 H HIS 3 H HIS 3 6.292 -6.431 -26.345 16 HA HIS 3 HA HIS 3 5.279 -4.532 -25.738 17 HB2 HIS 3 HB2 HIS 3 2.825 -5.678 -27.128 18 HB3 HIS 3 HB3 HIS 3 2.935 -4.021 -26.541 19 HD1 HIS 3 HD1 HIS 3 2.656 -5.156 -29.595 20 HD2 HIS 3 HD2 HIS 3 5.968 -3.394 -27.810 21 HE1 HIS 3 HE1 HIS 3 4.008 -4.194 -31.472 22 HE2 HIS 3 HE2 HIS 3 6.052 -3.223 -30.376 23 H HIS 4 H HIS 4 5.181 -4.347 -23.600 24 HA HIS 4 HA HIS 4 2.725 -5.029 -22.173 25 HB2 HIS 4 HB2 HIS 4 4.218 -6.977 -21.741 26 HB3 HIS 4 HB3 HIS 4 5.494 -5.898 -21.190 27 HD1 HIS 4 HD1 HIS 4 5.256 -4.900 -18.810 28 HD2 HIS 4 HD2 HIS 4 2.126 -7.400 -19.903 29 HE1 HIS 4 HE1 HIS 4 3.976 -5.342 -16.700 30 HE2 HIS 4 HE2 HIS 4 2.131 -6.916 -17.377 31 H HIS 5 H HIS 5 2.131 -3.074 -21.432 32 HA HIS 5 HA HIS 5 4.053 -0.977 -20.815 33 HB2 HIS 5 HB2 HIS 5 1.020 -1.089 -20.988 34 HB3 HIS 5 HB3 HIS 5 1.809 0.277 -20.205 35 HD1 HIS 5 HD1 HIS 5 1.427 -1.357 -23.583 36 HD2 HIS 5 HD2 HIS 5 2.995 2.104 -21.917 37 HE1 HIS 5 HE1 HIS 5 1.988 0.131 -25.517 38 HE2 HIS 5 HE2 HIS 5 2.760 2.280 -24.470 39 H HIS 6 H HIS 6 4.945 -0.776 -18.893 40 HA HIS 6 HA HIS 6 4.175 -2.226 -16.565 41 HB2 HIS 6 HB2 HIS 6 6.536 -1.587 -17.026 42 HB3 HIS 6 HB3 HIS 6 6.127 0.110 -16.804 43 HD1 HIS 6 HD1 HIS 6 5.697 0.914 -14.359 44 HD2 HIS 6 HD2 HIS 6 6.808 -3.076 -14.639 45 HE1 HIS 6 HE1 HIS 6 6.206 0.188 -12.022 46 HE2 HIS 6 HE2 HIS 6 6.832 -2.239 -12.208 47 H HIS 7 H HIS 7 3.582 1.055 -17.704 48 HA HIS 7 HA HIS 7 1.453 1.322 -15.681 49 HB2 HIS 7 HB2 HIS 7 1.839 3.736 -15.456 50 HB3 HIS 7 HB3 HIS 7 3.249 2.830 -14.945 51 HD1 HIS 7 HD1 HIS 7 2.617 5.856 -16.460 52 HD2 HIS 7 HD2 HIS 7 5.097 2.707 -17.501 53 HE1 HIS 7 HE1 HIS 7 4.376 6.843 -17.941 54 HE2 HIS 7 HE2 HIS 7 5.963 4.957 -18.401 55 H HIS 8 H HIS 8 -0.440 1.800 -16.485 56 HA HIS 8 HA HIS 8 -0.820 2.308 -19.343 57 HB2 HIS 8 HB2 HIS 8 -2.885 1.853 -17.131 58 HB3 HIS 8 HB3 HIS 8 -3.216 1.915 -18.863 59 HD1 HIS 8 HD1 HIS 8 -1.636 -0.248 -16.226 60 HD2 HIS 8 HD2 HIS 8 -2.665 -0.442 -20.240 61 HE1 HIS 8 HE1 HIS 8 -1.282 -2.631 -16.904 62 HE2 HIS 8 HE2 HIS 8 -2.179 -2.758 -19.243 63 H SER 9 H SER 9 -1.714 3.724 -16.203 64 HA SER 9 HA SER 9 -2.343 6.339 -17.170 65 HB2 SER 9 HB2 SER 9 -1.460 5.479 -14.373 66 HB3 SER 9 HB3 SER 9 -2.361 6.942 -14.791 67 HG SER 9 HG SER 9 -3.550 5.021 -13.951 68 H HIS 10 H HIS 10 -0.864 7.718 -17.997 69 HA HIS 10 HA HIS 10 2.005 7.188 -17.670 70 HB2 HIS 10 HB2 HIS 10 2.317 8.678 -19.592 71 HB3 HIS 10 HB3 HIS 10 1.087 7.479 -19.955 72 HD1 HIS 10 HD1 HIS 10 1.694 11.102 -19.845 73 HD2 HIS 10 HD2 HIS 10 -1.606 8.596 -20.017 74 HE1 HIS 10 HE1 HIS 10 -0.215 12.547 -20.585 75 HE2 HIS 10 HE2 HIS 10 -2.221 11.042 -20.500 76 H MET 11 H MET 11 0.613 8.285 -15.397 77 HA MET 11 HA MET 11 2.143 10.750 -14.905 78 HB2 MET 11 HB2 MET 11 -0.168 11.437 -15.659 79 HB3 MET 11 HB3 MET 11 -0.860 10.478 -14.359 80 HG2 MET 11 HG2 MET 11 0.532 11.984 -12.768 81 HG3 MET 11 HG3 MET 11 0.728 13.037 -14.169 82 HE1 MET 11 HE1 MET 11 -1.741 11.548 -11.519 83 HE2 MET 11 HE2 MET 11 -2.376 10.828 -13.001 84 HE3 MET 11 HE3 MET 11 -3.306 12.059 -12.146 85 H ILE 12 H ILE 12 3.123 10.526 -12.875 86 HA ILE 12 HA ILE 12 1.874 8.766 -10.873 87 HB ILE 12 HB ILE 12 3.950 9.257 -9.479 88 HG12 ILE 12 HG12 ILE 12 5.045 10.348 -12.114 89 HG13 ILE 12 HG13 ILE 12 4.780 11.274 -10.642 90 HG21 ILE 12 HG21 ILE 12 3.598 7.120 -10.615 91 HG22 ILE 12 HG22 ILE 12 5.309 7.555 -10.614 92 HG23 ILE 12 HG23 ILE 12 4.351 7.759 -12.082 93 HD11 ILE 12 HD11 ILE 12 6.496 9.926 -9.502 94 HD12 ILE 12 HD12 ILE 12 7.118 10.790 -10.905 95 HD13 ILE 12 HD13 ILE 12 6.800 9.058 -11.013 96 H ARG 13 H ARG 13 0.296 9.712 -9.871 97 HA ARG 13 HA ARG 13 -0.027 12.479 -9.327 98 HB2 ARG 13 HB2 ARG 13 -1.935 11.008 -9.621 99 HB3 ARG 13 HB3 ARG 13 -1.417 9.976 -8.294 100 HG2 ARG 13 HG2 ARG 13 -1.952 11.698 -6.667 101 HG3 ARG 13 HG3 ARG 13 -2.288 12.863 -7.948 102 HD2 ARG 13 HD2 ARG 13 -3.856 10.306 -7.525 103 HD3 ARG 13 HD3 ARG 13 -4.327 11.872 -6.860 104 HE ARG 13 HE ARG 13 -3.995 12.289 -9.562 105 HH11 ARG 13 HH11 ARG 13 -6.053 10.208 -7.605 106 HH12 ARG 13 HH12 ARG 13 -7.341 10.201 -8.766 107 HH21 ARG 13 HH21 ARG 13 -5.720 12.299 -11.038 108 HH22 ARG 13 HH22 ARG 13 -7.154 11.384 -10.703 109 H SER 14 H SER 14 -0.152 13.487 -7.224 110 HA SER 14 HA SER 14 2.195 12.957 -5.650 111 HB2 SER 14 HB2 SER 14 1.439 15.260 -6.390 112 HB3 SER 14 HB3 SER 14 0.093 15.128 -5.260 113 HG SER 14 HG SER 14 2.866 15.239 -4.698 114 H ARG 15 H ARG 15 -0.756 11.531 -5.458 115 HA ARG 15 HA ARG 15 -1.227 11.598 -2.628 116 HB2 ARG 15 HB2 ARG 15 -2.267 9.685 -4.757 117 HB3 ARG 15 HB3 ARG 15 -2.672 9.523 -3.050 118 HG2 ARG 15 HG2 ARG 15 -3.460 11.733 -4.960 119 HG3 ARG 15 HG3 ARG 15 -4.507 10.661 -4.026 120 HD2 ARG 15 HD2 ARG 15 -2.765 12.904 -2.951 121 HD3 ARG 15 HD3 ARG 15 -4.520 12.904 -3.068 122 HE ARG 15 HE ARG 15 -4.477 11.079 -1.374 123 HH11 ARG 15 HH11 ARG 15 -1.758 13.292 -1.571 124 HH12 ARG 15 HH12 ARG 15 -1.324 13.094 0.096 125 HH21 ARG 15 HH21 ARG 15 -3.979 10.960 0.836 126 HH22 ARG 15 HH22 ARG 15 -2.579 11.775 1.448 127 H LYS 16 H LYS 16 0.135 10.864 -1.277 128 HA LYS 16 HA LYS 16 1.747 8.444 -1.801 129 HB2 LYS 16 HB2 LYS 16 2.258 10.872 -0.036 130 HB3 LYS 16 HB3 LYS 16 3.261 9.421 -0.021 131 HG2 LYS 16 HG2 LYS 16 3.947 9.769 -2.310 132 HG3 LYS 16 HG3 LYS 16 2.788 11.078 -2.527 133 HD2 LYS 16 HD2 LYS 16 5.091 11.933 -2.301 134 HD3 LYS 16 HD3 LYS 16 4.056 12.498 -0.990 135 HE2 LYS 16 HE2 LYS 16 5.850 10.082 -0.633 136 HE3 LYS 16 HE3 LYS 16 6.459 11.720 -0.417 137 HZ1 LYS 16 HZ1 LYS 16 4.156 10.601 1.084 138 HZ2 LYS 16 HZ2 LYS 16 4.903 12.095 1.335 139 HZ3 LYS 16 HZ3 LYS 16 5.743 10.663 1.657 140 H ALA 17 H ALA 17 2.212 7.171 0.207 141 HA ALA 17 HA ALA 17 0.071 7.242 2.239 142 HB1 ALA 17 HB1 ALA 17 -0.679 5.640 0.506 143 HB2 ALA 17 HB2 ALA 17 -0.322 4.818 2.028 144 HB3 ALA 17 HB3 ALA 17 0.825 4.738 0.687 145 H ARG 18 H ARG 18 0.572 5.782 4.052 146 HA ARG 18 HA ARG 18 3.408 5.103 4.469 147 HB2 ARG 18 HB2 ARG 18 3.083 7.325 5.485 148 HB3 ARG 18 HB3 ARG 18 1.681 6.746 6.377 149 HG2 ARG 18 HG2 ARG 18 3.135 5.248 7.705 150 HG3 ARG 18 HG3 ARG 18 4.541 5.796 6.778 151 HD2 ARG 18 HD2 ARG 18 4.179 8.100 7.601 152 HD3 ARG 18 HD3 ARG 18 2.786 7.544 8.531 153 HE ARG 18 HE ARG 18 4.849 5.957 9.369 154 HH11 ARG 18 HH11 ARG 18 4.310 9.416 9.296 155 HH12 ARG 18 HH12 ARG 18 5.304 9.731 10.679 156 HH21 ARG 18 HH21 ARG 18 6.157 6.378 11.185 157 HH22 ARG 18 HH22 ARG 18 6.349 8.007 11.751 158 H ALA 19 H ALA 19 3.530 3.082 5.207 159 HA ALA 19 HA ALA 19 1.307 1.473 5.894 160 HB1 ALA 19 HB1 ALA 19 3.412 0.537 5.005 161 HB2 ALA 19 HB2 ALA 19 3.014 -0.198 6.560 162 HB3 ALA 19 HB3 ALA 19 4.268 1.043 6.467 163 H VAL 20 H VAL 20 0.141 1.770 7.692 164 HA VAL 20 HA VAL 20 1.321 2.693 10.233 165 HB VAL 20 HB VAL 20 -1.070 2.903 11.009 166 HG11 VAL 20 HG11 VAL 20 0.091 4.852 10.035 167 HG12 VAL 20 HG12 VAL 20 -1.631 4.895 9.656 168 HG13 VAL 20 HG13 VAL 20 -0.470 4.398 8.421 169 HG21 VAL 20 HG21 VAL 20 -2.936 2.771 9.350 170 HG22 VAL 20 HG22 VAL 20 -2.161 1.200 9.586 171 HG23 VAL 20 HG23 VAL 20 -1.807 2.146 8.141 172 H TYR 21 H TYR 21 0.007 -0.113 8.640 173 HA TYR 21 HA TYR 21 0.917 -1.782 10.905 174 HB2 TYR 21 HB2 TYR 21 -1.441 -2.359 9.036 175 HB3 TYR 21 HB3 TYR 21 -0.824 -3.465 10.257 176 HD1 TYR 21 HD2 TYR 21 -0.771 -2.516 12.739 177 HD2 TYR 21 HD1 TYR 21 -3.257 -0.958 9.621 178 HE1 TYR 21 HE2 TYR 21 -2.253 -1.503 14.418 179 HE2 TYR 21 HE1 TYR 21 -4.731 0.057 11.298 180 HH TYR 21 HH TYR 21 -5.322 -0.291 13.679 181 HA PRO 22 HA PRO 22 3.360 -3.593 7.599 182 HB2 PRO 22 HB2 PRO 22 4.239 -5.886 8.725 183 HB3 PRO 22 HB3 PRO 22 4.713 -4.309 9.397 184 HG2 PRO 22 HG2 PRO 22 2.625 -6.225 10.392 185 HG3 PRO 22 HG3 PRO 22 3.800 -5.265 11.321 186 HD2 PRO 22 HD2 PRO 22 1.131 -4.534 10.909 187 HD3 PRO 22 HD3 PRO 22 2.429 -3.407 11.357 188 H CYS 23 H CYS 23 3.401 -5.406 6.100 189 HA CYS 23 HA CYS 23 1.058 -7.162 5.999 190 HB2 CYS 23 HB2 CYS 23 0.438 -5.163 4.682 191 HB3 CYS 23 HB3 CYS 23 1.932 -5.282 3.759 192 HG CYS 23 HG CYS 23 1.210 -7.142 2.104 193 H GLU 24 H GLU 24 1.474 -9.058 5.083 194 HA GLU 24 HA GLU 24 4.059 -9.589 3.749 195 HB2 GLU 24 HB2 GLU 24 3.636 -12.004 4.432 196 HB3 GLU 24 HB3 GLU 24 3.951 -10.898 5.762 197 HG2 GLU 24 HG2 GLU 24 1.454 -10.761 6.143 198 HG3 GLU 24 HG3 GLU 24 1.268 -12.046 4.948 199 H ALA 25 H ALA 25 3.981 -10.656 1.804 200 HA ALA 25 HA ALA 25 1.395 -10.668 0.380 201 HB1 ALA 25 HB1 ALA 25 2.786 -10.515 -1.659 202 HB2 ALA 25 HB2 ALA 25 4.249 -10.564 -0.673 203 HB3 ALA 25 HB3 ALA 25 3.141 -9.197 -0.540 204 H GLU 26 H GLU 26 0.502 -12.677 0.358 205 HA GLU 26 HA GLU 26 2.160 -15.087 0.218 206 HB2 GLU 26 HB2 GLU 26 0.093 -16.364 0.412 207 HB3 GLU 26 HB3 GLU 26 0.127 -15.112 1.650 208 HG2 GLU 26 HG2 GLU 26 -1.431 -13.742 0.354 209 HG3 GLU 26 HG3 GLU 26 -1.412 -14.920 -0.957 210 H HIS 27 H HIS 27 0.623 -12.886 -1.915 211 HA HIS 27 HA HIS 27 0.958 -14.725 -4.228 212 HB2 HIS 27 HB2 HIS 27 -1.461 -14.085 -3.652 213 HB3 HIS 27 HB3 HIS 27 -1.045 -12.417 -4.023 214 HD2 HIS 27 HD2 HIS 27 -2.090 -15.667 -5.779 215 HE1 HIS 27 HE1 HIS 27 -0.995 -12.891 -8.774 216 HE2 HIS 27 HE2 HIS 27 -1.810 -15.235 -8.319 217 H SER 28 H SER 28 1.698 -13.727 -6.157 218 HA SER 28 HA SER 28 3.961 -12.136 -5.913 219 HB2 SER 28 HB2 SER 28 2.301 -12.653 -8.414 220 HB3 SER 28 HB3 SER 28 3.979 -12.109 -8.381 221 HG SER 28 HG SER 28 2.939 -14.632 -8.058 222 H SER 29 H SER 29 0.640 -11.254 -6.761 223 HA SER 29 HA SER 29 1.124 -8.688 -7.832 224 HB2 SER 29 HB2 SER 29 -1.393 -9.819 -6.546 225 HB3 SER 29 HB3 SER 29 -1.324 -8.378 -7.574 226 HG SER 29 HG SER 29 -1.848 -10.605 -8.481 227 H GLU 30 H GLU 30 0.524 -9.816 -4.527 228 HA GLU 30 HA GLU 30 -0.101 -7.278 -3.373 229 HB2 GLU 30 HB2 GLU 30 0.818 -9.852 -2.053 230 HB3 GLU 30 HB3 GLU 30 0.094 -8.480 -1.214 231 HG2 GLU 30 HG2 GLU 30 -2.007 -8.821 -2.420 232 HG3 GLU 30 HG3 GLU 30 -1.302 -10.166 -3.328 233 H LEU 31 H LEU 31 1.164 -6.054 -1.917 234 HA LEU 31 HA LEU 31 4.082 -6.240 -2.207 235 HB2 LEU 31 HB2 LEU 31 2.255 -3.991 -1.274 236 HB3 LEU 31 HB3 LEU 31 3.998 -3.935 -1.040 237 HG LEU 31 HG LEU 31 2.591 -4.088 -3.722 238 HD11 LEU 31 HD11 LEU 31 2.293 -1.904 -2.668 239 HD12 LEU 31 HD12 LEU 31 3.340 -1.797 -4.079 240 HD13 LEU 31 HD13 LEU 31 4.039 -1.749 -2.456 241 HD21 LEU 31 HD21 LEU 31 5.549 -3.803 -3.127 242 HD22 LEU 31 HD22 LEU 31 4.793 -3.719 -4.721 243 HD23 LEU 31 HD23 LEU 31 4.746 -5.223 -3.809 244 H SER 32 H SER 32 5.317 -6.723 -0.562 245 HA SER 32 HA SER 32 4.224 -7.073 2.162 246 HB2 SER 32 HB2 SER 32 6.314 -8.429 2.572 247 HB3 SER 32 HB3 SER 32 5.296 -9.113 1.307 248 HG SER 32 HG SER 32 7.683 -7.602 0.993 249 H PHE 33 H PHE 33 5.094 -5.823 3.808 250 HA PHE 33 HA PHE 33 7.235 -3.997 3.516 251 HB2 PHE 33 HB2 PHE 33 5.875 -1.865 3.453 252 HB3 PHE 33 HB3 PHE 33 5.848 -2.790 1.963 253 HD1 PHE 33 HD1 PHE 33 3.801 -1.867 4.950 254 HD2 PHE 33 HD2 PHE 33 3.762 -3.597 1.030 255 HE1 PHE 33 HE1 PHE 33 1.347 -1.732 4.909 256 HE2 PHE 33 HE2 PHE 33 1.304 -3.459 1.006 257 HZ PHE 33 HZ PHE 33 0.099 -2.522 2.940 258 H GLU 34 H GLU 34 7.517 -2.672 5.351 259 HA GLU 34 HA GLU 34 6.155 -3.646 7.798 260 HB2 GLU 34 HB2 GLU 34 8.209 -2.833 8.986 261 HB3 GLU 34 HB3 GLU 34 8.535 -4.119 7.832 262 HG2 GLU 34 HG2 GLU 34 9.366 -2.471 6.202 263 HG3 GLU 34 HG3 GLU 34 9.019 -1.162 7.332 264 H ILE 35 H ILE 35 6.104 -1.955 9.574 265 HA ILE 35 HA ILE 35 4.461 0.209 8.845 266 HB ILE 35 HB ILE 35 6.000 -0.168 11.465 267 HG12 ILE 35 HG12 ILE 35 3.170 -1.015 10.718 268 HG13 ILE 35 HG13 ILE 35 4.533 -2.097 10.972 269 HG21 ILE 35 HG21 ILE 35 3.558 1.564 10.912 270 HG22 ILE 35 HG22 ILE 35 5.191 2.150 11.231 271 HG23 ILE 35 HG23 ILE 35 4.303 1.303 12.494 272 HD11 ILE 35 HD11 ILE 35 4.604 -1.410 13.345 273 HD12 ILE 35 HD12 ILE 35 3.064 -2.128 12.881 274 HD13 ILE 35 HD13 ILE 35 3.192 -0.381 13.072 275 H GLY 36 H GLY 36 5.006 2.095 7.957 276 HA2 GLY 36 HA2 GLY 36 6.168 4.214 8.160 277 HA3 GLY 36 HA3 GLY 36 7.652 3.338 8.487 278 H ALA 37 H ALA 37 6.321 1.530 6.161 279 HA ALA 37 HA ALA 37 8.001 2.378 4.059 280 HB1 ALA 37 HB1 ALA 37 5.610 0.498 3.993 281 HB2 ALA 37 HB2 ALA 37 7.282 0.035 4.309 282 HB3 ALA 37 HB3 ALA 37 6.823 0.656 2.722 283 H ILE 38 H ILE 38 7.689 4.163 2.925 284 HA ILE 38 HA ILE 38 5.095 5.441 2.598 285 HB ILE 38 HB ILE 38 7.828 6.367 1.597 286 HG12 ILE 38 HG12 ILE 38 7.841 6.212 4.059 287 HG13 ILE 38 HG13 ILE 38 7.850 7.900 3.568 288 HG21 ILE 38 HG21 ILE 38 6.784 8.614 1.387 289 HG22 ILE 38 HG22 ILE 38 5.223 7.930 1.839 290 HG23 ILE 38 HG23 ILE 38 6.001 7.428 0.337 291 HD11 ILE 38 HD11 ILE 38 5.508 6.334 4.624 292 HD12 ILE 38 HD12 ILE 38 5.430 8.005 4.055 293 HD13 ILE 38 HD13 ILE 38 6.420 7.592 5.452 294 H PHE 39 H PHE 39 3.965 5.587 0.723 295 HA PHE 39 HA PHE 39 4.973 4.197 -1.696 296 HB2 PHE 39 HB2 PHE 39 2.064 4.462 -0.792 297 HB3 PHE 39 HB3 PHE 39 2.647 3.558 -2.190 298 HD1 PHE 39 HD1 PHE 39 3.861 1.418 -1.895 299 HD2 PHE 39 HD2 PHE 39 2.281 3.546 1.471 300 HE1 PHE 39 HE1 PHE 39 4.146 -0.569 -0.474 301 HE2 PHE 39 HE2 PHE 39 2.580 1.558 2.863 302 HZ PHE 39 HZ PHE 39 3.507 -0.492 1.896 303 H GLU 40 H GLU 40 4.220 5.072 -3.731 304 HA GLU 40 HA GLU 40 3.380 7.919 -3.702 305 HB2 GLU 40 HB2 GLU 40 5.587 6.680 -5.408 306 HB3 GLU 40 HB3 GLU 40 4.951 8.311 -5.627 307 HG2 GLU 40 HG2 GLU 40 5.747 8.942 -3.384 308 HG3 GLU 40 HG3 GLU 40 6.361 7.307 -3.127 309 H ASP 41 H ASP 41 2.136 8.586 -5.473 310 HA ASP 41 HA ASP 41 0.319 8.391 -6.776 311 HB2 ASP 41 HB2 ASP 41 2.074 8.182 -8.473 312 HB3 ASP 41 HB3 ASP 41 2.134 6.438 -8.231 313 H VAL 42 H VAL 42 -0.549 7.378 -4.775 314 HA VAL 42 HA VAL 42 -1.187 4.569 -4.843 315 HB VAL 42 HB VAL 42 -2.376 6.703 -3.013 316 HG11 VAL 42 HG11 VAL 42 -2.147 3.678 -2.692 317 HG12 VAL 42 HG12 VAL 42 -3.628 4.576 -3.026 318 HG13 VAL 42 HG13 VAL 42 -2.802 4.787 -1.484 319 HG21 VAL 42 HG21 VAL 42 -0.635 6.115 -1.366 320 HG22 VAL 42 HG22 VAL 42 0.077 6.783 -2.833 321 HG23 VAL 42 HG23 VAL 42 0.132 5.040 -2.543 322 H GLN 43 H GLN 43 -2.904 3.727 -5.813 323 HA GLN 43 HA GLN 43 -5.113 5.431 -6.805 324 HB2 GLN 43 HB2 GLN 43 -4.068 2.981 -8.305 325 HB3 GLN 43 HB3 GLN 43 -5.117 4.264 -8.902 326 HG2 GLN 43 HG2 GLN 43 -3.158 5.845 -8.725 327 HG3 GLN 43 HG3 GLN 43 -2.137 4.468 -8.325 328 HE21 GLN 43 HE21 GLN 43 -1.696 6.178 -10.506 329 HE22 GLN 43 HE22 GLN 43 -1.875 5.256 -11.955 330 H THR 44 H THR 44 -7.123 4.036 -7.171 331 HA THR 44 HA THR 44 -7.411 2.084 -5.003 332 HB THR 44 HB THR 44 -9.594 2.959 -6.926 333 HG1 THR 44 HG1 THR 44 -8.364 4.391 -4.880 334 HG21 THR 44 HG21 THR 44 -11.097 2.432 -5.048 335 HG22 THR 44 HG22 THR 44 -9.705 1.986 -4.059 336 HG23 THR 44 HG23 THR 44 -10.115 1.022 -5.477 337 H SER 45 H SER 45 -7.648 -0.101 -5.347 338 HA SER 45 HA SER 45 -6.846 -1.214 -7.902 339 HB2 SER 45 HB2 SER 45 -7.655 -2.653 -5.329 340 HB3 SER 45 HB3 SER 45 -6.778 -3.357 -6.693 341 HG SER 45 HG SER 45 -5.052 -2.694 -5.713 342 H ARG 46 H ARG 46 -8.039 -3.177 -8.738 343 HA ARG 46 HA ARG 46 -10.835 -2.743 -9.198 344 HB2 ARG 46 HB2 ARG 46 -10.745 -4.903 -10.416 345 HB3 ARG 46 HB3 ARG 46 -9.447 -3.821 -10.907 346 HG2 ARG 46 HG2 ARG 46 -7.840 -5.081 -9.550 347 HG3 ARG 46 HG3 ARG 46 -9.129 -6.136 -8.967 348 HD2 ARG 46 HD2 ARG 46 -9.492 -6.841 -11.383 349 HD3 ARG 46 HD3 ARG 46 -8.024 -5.942 -11.789 350 HE ARG 46 HE ARG 46 -8.016 -8.122 -9.788 351 HH11 ARG 46 HH11 ARG 46 -6.644 -6.697 -12.699 352 HH12 ARG 46 HH12 ARG 46 -5.365 -7.857 -12.795 353 HH21 ARG 46 HH21 ARG 46 -6.361 -9.655 -9.991 354 HH22 ARG 46 HH22 ARG 46 -5.206 -9.523 -11.271 355 H GLU 47 H GLU 47 -8.934 -4.612 -6.908 356 HA GLU 47 HA GLU 47 -11.092 -5.999 -5.634 357 HB2 GLU 47 HB2 GLU 47 -8.290 -5.223 -4.733 358 HB3 GLU 47 HB3 GLU 47 -9.410 -6.016 -3.643 359 HG2 GLU 47 HG2 GLU 47 -7.824 -7.610 -4.574 360 HG3 GLU 47 HG3 GLU 47 -9.471 -7.992 -5.072 361 HA PRO 48 HA PRO 48 -12.751 -2.143 -3.714 362 HB2 PRO 48 HB2 PRO 48 -14.665 -4.016 -2.371 363 HB3 PRO 48 HB3 PRO 48 -15.001 -2.640 -3.443 364 HG2 PRO 48 HG2 PRO 48 -15.375 -5.150 -4.293 365 HG3 PRO 48 HG3 PRO 48 -14.748 -3.892 -5.385 366 HD2 PRO 48 HD2 PRO 48 -13.206 -6.044 -3.918 367 HD3 PRO 48 HD3 PRO 48 -13.065 -5.525 -5.615 368 H GLY 49 H GLY 49 -11.197 -1.527 -2.247 369 HA2 GLY 49 HA2 GLY 49 -10.932 -1.132 0.164 370 HA3 GLY 49 HA3 GLY 49 -11.173 -2.850 0.436 371 H TRP 50 H TRP 50 -9.311 -2.503 -2.301 372 HA TRP 50 HA TRP 50 -6.736 -2.446 -0.817 373 HB2 TRP 50 HB2 TRP 50 -7.477 -3.900 -3.403 374 HB3 TRP 50 HB3 TRP 50 -5.817 -3.714 -2.844 375 HD1 TRP 50 HD1 TRP 50 -9.131 -5.237 -1.454 376 HE1 TRP 50 HE1 TRP 50 -8.521 -7.288 -0.041 377 HE3 TRP 50 HE3 TRP 50 -4.044 -5.036 -1.838 378 HZ2 TRP 50 HZ2 TRP 50 -6.226 -8.624 0.838 379 HZ3 TRP 50 HZ3 TRP 50 -2.708 -6.743 -0.666 380 HH2 TRP 50 HH2 TRP 50 -3.783 -8.500 0.648 381 H LEU 51 H LEU 51 -5.009 -1.328 -1.787 382 HA LEU 51 HA LEU 51 -5.623 0.690 -3.861 383 HB2 LEU 51 HB2 LEU 51 -3.844 1.029 -1.400 384 HB3 LEU 51 HB3 LEU 51 -4.100 2.242 -2.646 385 HG LEU 51 HG LEU 51 -6.206 1.222 -0.692 386 HD11 LEU 51 HD11 LEU 51 -4.819 3.915 -0.791 387 HD12 LEU 51 HD12 LEU 51 -4.547 2.639 0.399 388 HD13 LEU 51 HD13 LEU 51 -6.113 3.440 0.317 389 HD21 LEU 51 HD21 LEU 51 -7.667 2.988 -1.579 390 HD22 LEU 51 HD22 LEU 51 -7.258 1.802 -2.813 391 HD23 LEU 51 HD23 LEU 51 -6.465 3.380 -2.815 392 H GLU 52 H GLU 52 -3.731 1.237 -5.191 393 HA GLU 52 HA GLU 52 -1.450 -0.648 -5.061 394 HB2 GLU 52 HB2 GLU 52 -2.729 0.588 -7.529 395 HB3 GLU 52 HB3 GLU 52 -1.219 -0.330 -7.550 396 HG2 GLU 52 HG2 GLU 52 -2.427 -2.329 -6.742 397 HG3 GLU 52 HG3 GLU 52 -3.932 -1.410 -6.708 398 H GLY 53 H GLY 53 0.508 0.254 -4.872 399 HA2 GLY 53 HA2 GLY 53 0.969 3.117 -5.404 400 HA3 GLY 53 HA3 GLY 53 1.081 2.581 -3.726 401 H THR 54 H THR 54 3.205 3.679 -5.233 402 HA THR 54 HA THR 54 4.910 1.459 -6.110 403 HB THR 54 HB THR 54 5.409 4.463 -6.341 404 HG1 THR 54 HG1 THR 54 3.555 3.983 -7.481 405 HG21 THR 54 HG21 THR 54 6.626 2.118 -7.862 406 HG22 THR 54 HG22 THR 54 7.456 3.089 -6.642 407 HG23 THR 54 HG23 THR 54 6.957 3.824 -8.167 408 H LEU 55 H LEU 55 6.276 0.639 -4.664 409 HA LEU 55 HA LEU 55 7.384 2.240 -2.429 410 HB2 LEU 55 HB2 LEU 55 5.837 0.433 -1.714 411 HB3 LEU 55 HB3 LEU 55 6.789 -0.738 -2.604 412 HG LEU 55 HG LEU 55 8.732 -0.309 -1.045 413 HD11 LEU 55 HD11 LEU 55 8.204 1.964 -0.362 414 HD12 LEU 55 HD12 LEU 55 8.378 0.920 1.045 415 HD13 LEU 55 HD13 LEU 55 6.769 1.404 0.499 416 HD21 LEU 55 HD21 LEU 55 6.176 -1.192 0.326 417 HD22 LEU 55 HD22 LEU 55 7.820 -1.532 0.877 418 HD23 LEU 55 HD23 LEU 55 7.246 -2.205 -0.646 419 H ASN 56 H ASN 56 9.355 2.854 -3.221 420 HA ASN 56 HA ASN 56 11.503 2.810 -3.915 421 HB2 ASN 56 HB2 ASN 56 11.324 -0.088 -2.965 422 HB3 ASN 56 HB3 ASN 56 12.833 0.658 -3.468 423 HD21 ASN 56 HD21 ASN 56 10.309 2.263 -1.547 424 HD22 ASN 56 HD22 ASN 56 11.286 2.437 -0.153 425 H GLY 57 H GLY 57 9.448 2.432 -5.837 426 HA2 GLY 57 HA2 GLY 57 9.389 2.181 -8.136 427 HA3 GLY 57 HA3 GLY 57 10.958 1.407 -8.089 428 H LYS 58 H LYS 58 8.420 0.175 -6.008 429 HA LYS 58 HA LYS 58 7.788 -1.995 -7.944 430 HB2 LYS 58 HB2 LYS 58 9.394 -2.782 -6.227 431 HB3 LYS 58 HB3 LYS 58 8.265 -2.299 -4.976 432 HG2 LYS 58 HG2 LYS 58 6.648 -3.975 -5.713 433 HG3 LYS 58 HG3 LYS 58 7.697 -4.421 -7.058 434 HD2 LYS 58 HD2 LYS 58 9.353 -5.358 -5.581 435 HD3 LYS 58 HD3 LYS 58 8.560 -4.687 -4.153 436 HE2 LYS 58 HE2 LYS 58 8.185 -7.157 -4.454 437 HE3 LYS 58 HE3 LYS 58 6.697 -6.215 -4.396 438 HZ1 LYS 58 HZ1 LYS 58 6.686 -7.903 -6.144 439 HZ2 LYS 58 HZ2 LYS 58 7.999 -7.146 -6.897 440 HZ3 LYS 58 HZ3 LYS 58 6.516 -6.344 -6.769 441 H ARG 59 H ARG 59 5.676 -1.946 -8.354 442 HA ARG 59 HA ARG 59 3.756 -0.838 -6.401 443 HB2 ARG 59 HB2 ARG 59 3.835 0.373 -8.552 444 HB3 ARG 59 HB3 ARG 59 3.477 -1.118 -9.421 445 HG2 ARG 59 HG2 ARG 59 1.244 -1.219 -8.399 446 HG3 ARG 59 HG3 ARG 59 1.620 0.180 -7.388 447 HD2 ARG 59 HD2 ARG 59 1.376 0.148 -10.406 448 HD3 ARG 59 HD3 ARG 59 0.216 0.842 -9.264 449 HE ARG 59 HE ARG 59 2.995 1.835 -9.466 450 HH11 ARG 59 HH11 ARG 59 -0.448 2.559 -9.511 451 HH12 ARG 59 HH12 ARG 59 -0.180 4.276 -9.551 452 HH21 ARG 59 HH21 ARG 59 3.314 4.026 -9.527 453 HH22 ARG 59 HH22 ARG 59 1.945 5.105 -9.561 454 H GLY 60 H GLY 60 1.894 -1.956 -5.938 455 HA2 GLY 60 HA2 GLY 60 0.920 -4.260 -7.238 456 HA3 GLY 60 HA3 GLY 60 1.882 -4.759 -5.845 457 H LEU 61 H LEU 61 -0.174 -5.638 -5.139 458 HA LEU 61 HA LEU 61 -2.355 -3.915 -4.429 459 HB2 LEU 61 HB2 LEU 61 -1.797 -6.857 -3.933 460 HB3 LEU 61 HB3 LEU 61 -3.239 -6.050 -3.339 461 HG LEU 61 HG LEU 61 -2.486 -6.302 -6.260 462 HD11 LEU 61 HD11 LEU 61 -3.045 -8.468 -5.325 463 HD12 LEU 61 HD12 LEU 61 -4.308 -7.918 -6.422 464 HD13 LEU 61 HD13 LEU 61 -4.556 -7.821 -4.677 465 HD21 LEU 61 HD21 LEU 61 -4.772 -5.473 -6.705 466 HD22 LEU 61 HD22 LEU 61 -3.797 -4.280 -5.853 467 HD23 LEU 61 HD23 LEU 61 -5.012 -5.213 -4.974 468 H ILE 62 H ILE 62 -2.514 -2.853 -2.664 469 HA ILE 62 HA ILE 62 -0.970 -3.464 -0.225 470 HB ILE 62 HB ILE 62 -2.103 -0.794 -1.200 471 HG12 ILE 62 HG12 ILE 62 0.830 -1.640 -1.151 472 HG13 ILE 62 HG13 ILE 62 -0.172 -1.565 -2.599 473 HG21 ILE 62 HG21 ILE 62 -0.297 -1.349 1.174 474 HG22 ILE 62 HG22 ILE 62 -2.013 -0.942 1.250 475 HG23 ILE 62 HG23 ILE 62 -0.854 0.239 0.643 476 HD11 ILE 62 HD11 ILE 62 1.240 0.379 -2.430 477 HD12 ILE 62 HD12 ILE 62 0.581 0.769 -0.840 478 HD13 ILE 62 HD13 ILE 62 -0.452 0.845 -2.274 479 HA PRO 63 HA PRO 63 -5.202 -3.831 1.490 480 HB2 PRO 63 HB2 PRO 63 -3.862 -4.018 4.138 481 HB3 PRO 63 HB3 PRO 63 -4.884 -5.219 3.321 482 HG2 PRO 63 HG2 PRO 63 -2.231 -5.605 3.630 483 HG3 PRO 63 HG3 PRO 63 -3.113 -6.198 2.203 484 HD2 PRO 63 HD2 PRO 63 -1.392 -3.732 2.460 485 HD3 PRO 63 HD3 PRO 63 -1.463 -4.924 1.138 486 H GLN 64 H GLN 64 -6.296 -1.984 1.613 487 HA GLN 64 HA GLN 64 -5.284 0.579 1.971 488 HB2 GLN 64 HB2 GLN 64 -7.386 0.129 0.803 489 HB3 GLN 64 HB3 GLN 64 -8.135 -0.442 2.290 490 HG2 GLN 64 HG2 GLN 64 -8.100 1.798 3.234 491 HG3 GLN 64 HG3 GLN 64 -7.170 2.396 1.864 492 HE21 GLN 64 HE21 GLN 64 -10.325 1.367 2.954 493 HE22 GLN 64 HE22 GLN 64 -11.213 1.971 1.602 494 H ASN 65 H ASN 65 -6.705 -1.618 4.343 495 HA ASN 65 HA ASN 65 -6.955 0.143 6.553 496 HB2 ASN 65 HB2 ASN 65 -6.682 -2.887 6.405 497 HB3 ASN 65 HB3 ASN 65 -7.013 -2.029 7.906 498 HD21 ASN 65 HD21 ASN 65 -8.611 -4.012 6.473 499 HD22 ASN 65 HD22 ASN 65 -10.147 -3.266 6.198 500 H TYR 66 H TYR 66 -4.194 -1.603 5.253 501 HA TYR 66 HA TYR 66 -2.618 -1.329 7.707 502 HB2 TYR 66 HB2 TYR 66 -1.967 -2.585 5.019 503 HB3 TYR 66 HB3 TYR 66 -0.824 -2.516 6.357 504 HD1 TYR 66 HD2 TYR 66 -3.879 -3.011 7.975 505 HD2 TYR 66 HD1 TYR 66 -1.128 -5.122 5.473 506 HE1 TYR 66 HE2 TYR 66 -4.738 -5.137 8.816 507 HE2 TYR 66 HE1 TYR 66 -1.995 -7.247 6.320 508 HH TYR 66 HH TYR 66 -3.157 -8.109 8.290 509 H VAL 67 H VAL 67 -3.291 0.712 5.154 510 HA VAL 67 HA VAL 67 -0.858 2.310 5.733 511 HB VAL 67 HB VAL 67 -0.871 3.195 3.410 512 HG11 VAL 67 HG11 VAL 67 0.660 1.391 3.983 513 HG12 VAL 67 HG12 VAL 67 0.118 1.226 2.315 514 HG13 VAL 67 HG13 VAL 67 -0.559 0.181 3.566 515 HG21 VAL 67 HG21 VAL 67 -3.226 2.811 2.796 516 HG22 VAL 67 HG22 VAL 67 -2.973 1.064 2.814 517 HG23 VAL 67 HG23 VAL 67 -2.153 2.064 1.610 518 H LYS 68 H LYS 68 -1.118 4.591 5.378 519 HA LYS 68 HA LYS 68 -3.849 5.674 5.359 520 HB2 LYS 68 HB2 LYS 68 -2.929 5.552 7.738 521 HB3 LYS 68 HB3 LYS 68 -1.669 6.680 7.235 522 HG2 LYS 68 HG2 LYS 68 -3.735 8.168 6.460 523 HG3 LYS 68 HG3 LYS 68 -4.630 7.136 7.578 524 HD2 LYS 68 HD2 LYS 68 -3.958 9.175 8.715 525 HD3 LYS 68 HD3 LYS 68 -3.071 7.806 9.399 526 HE2 LYS 68 HE2 LYS 68 -1.589 9.750 9.082 527 HE3 LYS 68 HE3 LYS 68 -1.084 8.417 8.042 528 HZ1 LYS 68 HZ1 LYS 68 -2.188 9.509 6.182 529 HZ2 LYS 68 HZ2 LYS 68 -1.046 10.537 6.887 530 HZ3 LYS 68 HZ3 LYS 68 -2.691 10.772 7.190 531 H LEU 69 H LEU 69 -4.008 7.336 3.976 532 HA LEU 69 HA LEU 69 -1.831 7.917 2.226 533 HB2 LEU 69 HB2 LEU 69 -4.577 9.216 2.324 534 HB3 LEU 69 HB3 LEU 69 -3.444 9.273 0.980 535 HG LEU 69 HG LEU 69 -4.957 6.828 1.986 536 HD11 LEU 69 HD11 LEU 69 -6.326 8.348 0.671 537 HD12 LEU 69 HD12 LEU 69 -6.033 6.850 -0.206 538 HD13 LEU 69 HD13 LEU 69 -5.148 8.317 -0.646 539 HD21 LEU 69 HD21 LEU 69 -3.913 5.585 0.117 540 HD22 LEU 69 HD22 LEU 69 -2.740 6.103 1.323 541 HD23 LEU 69 HD23 LEU 69 -2.864 6.973 -0.208 542 H LEU 70 H LEU 70 -0.390 9.464 2.369 543 HA LEU 70 HA LEU 70 -0.532 11.559 4.390 544 HB2 LEU 70 HB2 LEU 70 1.695 10.947 2.402 545 HB3 LEU 70 HB3 LEU 70 1.806 11.967 3.827 546 HG LEU 70 HG LEU 70 1.491 8.940 3.786 547 HD11 LEU 70 HD11 LEU 70 3.732 9.710 3.205 548 HD12 LEU 70 HD12 LEU 70 3.726 8.905 4.771 549 HD13 LEU 70 HD13 LEU 70 3.811 10.669 4.686 550 HD21 LEU 70 HD21 LEU 70 0.220 9.841 5.674 551 HD22 LEU 70 HD22 LEU 70 1.615 10.787 6.201 552 HD23 LEU 70 HD23 LEU 70 1.670 9.023 6.247 Start of MODEL 8 1 H1 MET 1 H1 MET 1 7.517 20.769 2.867 2 H2 MET 1 H2 MET 1 7.244 21.075 1.231 3 H3 MET 1 H3 MET 1 6.468 22.006 2.409 4 HA MET 1 HA MET 1 8.313 23.164 1.353 5 HB2 MET 1 HB2 MET 1 7.585 23.676 3.704 6 HB3 MET 1 HB3 MET 1 8.767 22.521 4.301 7 HG2 MET 1 HG2 MET 1 10.582 23.900 3.402 8 HG3 MET 1 HG3 MET 1 9.408 25.061 2.783 9 HE1 MET 1 HE1 MET 1 7.898 26.484 6.162 10 HE2 MET 1 HE2 MET 1 7.253 25.135 5.231 11 HE3 MET 1 HE3 MET 1 7.838 26.580 4.401 12 H GLY 2 H GLY 2 9.498 20.503 3.466 13 HA2 GLY 2 HA2 GLY 2 12.016 20.221 2.083 14 HA3 GLY 2 HA3 GLY 2 11.346 19.143 3.302 15 H HIS 3 H HIS 3 12.404 19.070 0.279 16 HA HIS 3 HA HIS 3 12.247 17.729 -1.513 17 HB2 HIS 3 HB2 HIS 3 12.175 15.883 0.137 18 HB3 HIS 3 HB3 HIS 3 10.421 16.005 0.221 19 HD1 HIS 3 HD1 HIS 3 9.075 15.040 -1.765 20 HD2 HIS 3 HD2 HIS 3 13.188 14.565 -2.134 21 HE1 HIS 3 HE1 HIS 3 9.408 13.416 -3.645 22 HE2 HIS 3 HE2 HIS 3 11.892 13.269 -3.944 23 H HIS 4 H HIS 4 11.298 19.017 -3.020 24 HA HIS 4 HA HIS 4 8.388 19.473 -3.030 25 HB2 HIS 4 HB2 HIS 4 10.640 20.779 -4.627 26 HB3 HIS 4 HB3 HIS 4 8.939 21.180 -4.807 27 HD1 HIS 4 HD1 HIS 4 7.802 22.477 -2.856 28 HD2 HIS 4 HD2 HIS 4 11.906 21.996 -2.439 29 HE1 HIS 4 HE1 HIS 4 8.488 24.077 -1.054 30 HE2 HIS 4 HE2 HIS 4 10.951 23.685 -0.746 31 H HIS 5 H HIS 5 7.371 17.769 -3.992 32 HA HIS 5 HA HIS 5 8.281 16.758 -6.608 33 HB2 HIS 5 HB2 HIS 5 7.528 15.050 -5.003 34 HB3 HIS 5 HB3 HIS 5 5.985 15.872 -4.791 35 HD1 HIS 5 HD1 HIS 5 7.936 13.976 -7.443 36 HD2 HIS 5 HD2 HIS 5 4.025 15.090 -6.588 37 HE1 HIS 5 HE1 HIS 5 6.512 12.865 -9.177 38 HE2 HIS 5 HE2 HIS 5 4.162 13.435 -8.547 39 H HIS 6 H HIS 6 7.926 18.831 -7.667 40 HA HIS 6 HA HIS 6 5.341 20.106 -7.630 41 HB2 HIS 6 HB2 HIS 6 7.450 21.400 -7.943 42 HB3 HIS 6 HB3 HIS 6 7.717 20.597 -9.487 43 HD1 HIS 6 HD1 HIS 6 6.781 21.789 -11.495 44 HD2 HIS 6 HD2 HIS 6 4.957 23.035 -7.966 45 HE1 HIS 6 HE1 HIS 6 5.269 23.692 -12.132 46 HE2 HIS 6 HE2 HIS 6 4.295 24.509 -9.972 47 H HIS 7 H HIS 7 3.632 19.060 -8.600 48 HA HIS 7 HA HIS 7 3.893 17.721 -11.159 49 HB2 HIS 7 HB2 HIS 7 1.401 17.550 -11.138 50 HB3 HIS 7 HB3 HIS 7 2.138 16.887 -9.693 51 HD1 HIS 7 HD1 HIS 7 1.005 17.511 -7.587 52 HD2 HIS 7 HD2 HIS 7 0.260 20.305 -10.574 53 HE1 HIS 7 HE1 HIS 7 -0.705 19.081 -6.642 54 HE2 HIS 7 HE2 HIS 7 -0.950 20.876 -8.374 55 H HIS 8 H HIS 8 3.181 18.469 -13.157 56 HA HIS 8 HA HIS 8 3.358 21.310 -13.656 57 HB2 HIS 8 HB2 HIS 8 4.288 19.683 -15.256 58 HB3 HIS 8 HB3 HIS 8 2.704 18.951 -15.481 59 HD1 HIS 8 HD1 HIS 8 4.727 21.991 -16.416 60 HD2 HIS 8 HD2 HIS 8 1.056 20.269 -17.339 61 HE1 HIS 8 HE1 HIS 8 3.875 23.228 -18.425 62 HE2 HIS 8 HE2 HIS 8 1.628 22.225 -18.913 63 H SER 9 H SER 9 0.793 18.964 -13.275 64 HA SER 9 HA SER 9 -1.301 21.005 -13.599 65 HB2 SER 9 HB2 SER 9 -0.905 19.835 -15.822 66 HB3 SER 9 HB3 SER 9 -1.414 18.329 -15.057 67 HG SER 9 HG SER 9 -2.900 20.448 -15.959 68 H HIS 10 H HIS 10 -3.339 20.353 -12.621 69 HA HIS 10 HA HIS 10 -2.813 19.015 -10.099 70 HB2 HIS 10 HB2 HIS 10 -3.872 21.298 -10.292 71 HB3 HIS 10 HB3 HIS 10 -5.296 20.550 -10.996 72 HD1 HIS 10 HD1 HIS 10 -7.040 19.694 -9.387 73 HD2 HIS 10 HD2 HIS 10 -3.450 20.587 -7.486 74 HE1 HIS 10 HE1 HIS 10 -7.520 19.565 -6.928 75 HE2 HIS 10 HE2 HIS 10 -5.297 19.903 -5.819 76 H MET 11 H MET 11 -2.969 17.091 -12.155 77 HA MET 11 HA MET 11 -5.406 15.564 -11.877 78 HB2 MET 11 HB2 MET 11 -2.572 14.819 -12.711 79 HB3 MET 11 HB3 MET 11 -3.854 13.623 -12.593 80 HG2 MET 11 HG2 MET 11 -3.520 14.277 -14.897 81 HG3 MET 11 HG3 MET 11 -5.112 14.793 -14.358 82 HE1 MET 11 HE1 MET 11 -5.974 16.970 -15.332 83 HE2 MET 11 HE2 MET 11 -5.156 18.496 -15.001 84 HE3 MET 11 HE3 MET 11 -5.606 17.430 -13.669 85 H ILE 12 H ILE 12 -6.026 14.472 -10.080 86 HA ILE 12 HA ILE 12 -4.393 14.483 -7.710 87 HB ILE 12 HB ILE 12 -7.184 13.329 -8.193 88 HG12 ILE 12 HG12 ILE 12 -7.872 15.191 -6.568 89 HG13 ILE 12 HG13 ILE 12 -6.232 15.810 -6.659 90 HG21 ILE 12 HG21 ILE 12 -7.362 12.983 -5.729 91 HG22 ILE 12 HG22 ILE 12 -5.658 13.406 -5.553 92 HG23 ILE 12 HG23 ILE 12 -6.116 11.955 -6.446 93 HD11 ILE 12 HD11 ILE 12 -8.186 15.627 -8.948 94 HD12 ILE 12 HD12 ILE 12 -6.555 16.295 -9.028 95 HD13 ILE 12 HD13 ILE 12 -7.781 17.080 -8.034 96 H ARG 13 H ARG 13 -2.637 13.339 -8.417 97 HA ARG 13 HA ARG 13 -2.635 10.502 -7.992 98 HB2 ARG 13 HB2 ARG 13 -1.641 9.869 -10.168 99 HB3 ARG 13 HB3 ARG 13 -3.263 10.521 -10.381 100 HG2 ARG 13 HG2 ARG 13 -2.246 12.702 -11.094 101 HG3 ARG 13 HG3 ARG 13 -0.646 11.961 -10.973 102 HD2 ARG 13 HD2 ARG 13 -1.401 10.236 -12.634 103 HD3 ARG 13 HD3 ARG 13 -2.905 11.137 -12.826 104 HE ARG 13 HE ARG 13 -0.960 12.975 -13.382 105 HH11 ARG 13 HH11 ARG 13 -1.727 9.769 -14.666 106 HH12 ARG 13 HH12 ARG 13 -1.094 10.122 -16.240 107 HH21 ARG 13 HH21 ARG 13 -0.104 13.387 -15.448 108 HH22 ARG 13 HH22 ARG 13 -0.176 12.172 -16.683 109 H SER 14 H SER 14 -0.236 9.708 -8.487 110 HA SER 14 HA SER 14 1.763 9.615 -7.464 111 HB2 SER 14 HB2 SER 14 2.331 11.193 -9.323 112 HB3 SER 14 HB3 SER 14 2.020 12.549 -8.238 113 HG SER 14 HG SER 14 3.983 10.515 -7.889 114 H ARG 15 H ARG 15 -0.311 9.848 -5.796 115 HA ARG 15 HA ARG 15 0.231 11.849 -3.704 116 HB2 ARG 15 HB2 ARG 15 -2.100 11.436 -4.758 117 HB3 ARG 15 HB3 ARG 15 -2.121 9.892 -3.925 118 HG2 ARG 15 HG2 ARG 15 -1.740 12.464 -2.381 119 HG3 ARG 15 HG3 ARG 15 -3.349 11.962 -2.887 120 HD2 ARG 15 HD2 ARG 15 -3.147 9.889 -1.595 121 HD3 ARG 15 HD3 ARG 15 -1.487 10.303 -1.146 122 HE ARG 15 HE ARG 15 -2.278 11.965 0.281 123 HH11 ARG 15 HH11 ARG 15 -4.991 10.303 -1.237 124 HH12 ARG 15 HH12 ARG 15 -6.148 10.915 -0.094 125 HH21 ARG 15 HH21 ARG 15 -3.763 12.714 1.768 126 HH22 ARG 15 HH22 ARG 15 -5.440 12.288 1.619 127 H LYS 16 H LYS 16 0.490 11.023 -1.431 128 HA LYS 16 HA LYS 16 2.098 8.542 -1.576 129 HB2 LYS 16 HB2 LYS 16 2.410 11.042 0.123 130 HB3 LYS 16 HB3 LYS 16 3.202 9.532 0.561 131 HG2 LYS 16 HG2 LYS 16 4.325 9.550 -1.695 132 HG3 LYS 16 HG3 LYS 16 3.648 11.159 -1.963 133 HD2 LYS 16 HD2 LYS 16 4.917 12.087 -0.139 134 HD3 LYS 16 HD3 LYS 16 5.396 10.490 0.436 135 HE2 LYS 16 HE2 LYS 16 7.241 11.671 -0.715 136 HE3 LYS 16 HE3 LYS 16 6.808 10.174 -1.538 137 HZ1 LYS 16 HZ1 LYS 16 5.891 12.876 -2.348 138 HZ2 LYS 16 HZ2 LYS 16 5.601 11.428 -3.168 139 HZ3 LYS 16 HZ3 LYS 16 7.170 12.040 -3.062 140 H ALA 17 H ALA 17 2.319 7.360 0.432 141 HA ALA 17 HA ALA 17 0.195 7.476 2.432 142 HB1 ALA 17 HB1 ALA 17 -0.316 5.055 2.253 143 HB2 ALA 17 HB2 ALA 17 0.722 4.939 0.827 144 HB3 ALA 17 HB3 ALA 17 -0.750 5.909 0.768 145 H ARG 18 H ARG 18 0.737 5.970 4.214 146 HA ARG 18 HA ARG 18 3.509 5.000 4.316 147 HB2 ARG 18 HB2 ARG 18 3.581 7.201 5.427 148 HB3 ARG 18 HB3 ARG 18 2.214 6.759 6.450 149 HG2 ARG 18 HG2 ARG 18 3.585 4.973 7.501 150 HG3 ARG 18 HG3 ARG 18 4.949 5.433 6.478 151 HD2 ARG 18 HD2 ARG 18 5.085 7.600 7.552 152 HD3 ARG 18 HD3 ARG 18 3.612 7.286 8.475 153 HE ARG 18 HE ARG 18 6.229 5.978 8.860 154 HH11 ARG 18 HH11 ARG 18 3.033 6.717 10.105 155 HH12 ARG 18 HH12 ARG 18 3.380 6.102 11.688 156 HH21 ARG 18 HH21 ARG 18 6.668 5.165 10.907 157 HH22 ARG 18 HH22 ARG 18 5.452 5.215 12.142 158 H ALA 19 H ALA 19 3.465 2.955 4.951 159 HA ALA 19 HA ALA 19 1.296 1.505 5.921 160 HB1 ALA 19 HB1 ALA 19 3.312 0.455 4.962 161 HB2 ALA 19 HB2 ALA 19 2.969 -0.207 6.561 162 HB3 ALA 19 HB3 ALA 19 4.260 0.981 6.356 163 H VAL 20 H VAL 20 0.238 1.911 7.756 164 HA VAL 20 HA VAL 20 1.659 2.630 10.239 165 HB VAL 20 HB VAL 20 -0.627 3.166 11.148 166 HG11 VAL 20 HG11 VAL 20 -0.901 5.296 9.918 167 HG12 VAL 20 HG12 VAL 20 0.119 4.690 8.612 168 HG13 VAL 20 HG13 VAL 20 0.806 4.955 10.217 169 HG21 VAL 20 HG21 VAL 20 -1.586 2.684 8.290 170 HG22 VAL 20 HG22 VAL 20 -2.552 3.418 9.575 171 HG23 VAL 20 HG23 VAL 20 -2.029 1.734 9.712 172 H TYR 21 H TYR 21 0.316 -0.040 8.580 173 HA TYR 21 HA TYR 21 1.004 -1.739 10.891 174 HB2 TYR 21 HB2 TYR 21 -1.289 -2.301 8.939 175 HB3 TYR 21 HB3 TYR 21 -0.782 -3.343 10.261 176 HD1 TYR 21 HD2 TYR 21 -0.936 -2.297 12.693 177 HD2 TYR 21 HD1 TYR 21 -3.042 -0.775 9.296 178 HE1 TYR 21 HE2 TYR 21 -2.536 -1.160 14.180 179 HE2 TYR 21 HE1 TYR 21 -4.627 0.353 10.785 180 HH TYR 21 HH TYR 21 -5.462 0.157 13.076 181 HA PRO 22 HA PRO 22 3.509 -3.710 7.630 182 HB2 PRO 22 HB2 PRO 22 4.170 -6.076 8.814 183 HB3 PRO 22 HB3 PRO 22 4.825 -4.532 9.401 184 HG2 PRO 22 HG2 PRO 22 2.520 -6.123 10.499 185 HG3 PRO 22 HG3 PRO 22 3.863 -5.351 11.374 186 HD2 PRO 22 HD2 PRO 22 1.398 -4.178 11.158 187 HD3 PRO 22 HD3 PRO 22 2.899 -3.236 11.274 188 H CYS 23 H CYS 23 3.352 -5.321 6.009 189 HA CYS 23 HA CYS 23 1.092 -7.220 6.026 190 HB2 CYS 23 HB2 CYS 23 0.295 -5.221 4.784 191 HB3 CYS 23 HB3 CYS 23 1.717 -5.289 3.747 192 HG CYS 23 HG CYS 23 0.911 -7.160 2.123 193 H GLU 24 H GLU 24 1.353 -8.928 4.443 194 HA GLU 24 HA GLU 24 3.911 -9.131 3.040 195 HB2 GLU 24 HB2 GLU 24 4.334 -11.407 3.876 196 HB3 GLU 24 HB3 GLU 24 4.303 -10.253 5.198 197 HG2 GLU 24 HG2 GLU 24 1.837 -11.017 5.518 198 HG3 GLU 24 HG3 GLU 24 2.285 -12.388 4.507 199 H ALA 25 H ALA 25 3.744 -10.184 1.123 200 HA ALA 25 HA ALA 25 1.067 -10.494 0.035 201 HB1 ALA 25 HB1 ALA 25 2.270 -10.607 -2.129 202 HB2 ALA 25 HB2 ALA 25 3.814 -10.602 -1.272 203 HB3 ALA 25 HB3 ALA 25 2.753 -9.192 -1.190 204 H GLU 26 H GLU 26 0.078 -12.454 -0.252 205 HA GLU 26 HA GLU 26 1.676 -14.938 -0.167 206 HB2 GLU 26 HB2 GLU 26 -0.441 -16.139 -0.049 207 HB3 GLU 26 HB3 GLU 26 -0.403 -14.882 1.181 208 HG2 GLU 26 HG2 GLU 26 -1.912 -13.491 -0.072 209 HG3 GLU 26 HG3 GLU 26 -1.815 -14.546 -1.482 210 H HIS 27 H HIS 27 0.019 -12.807 -2.363 211 HA HIS 27 HA HIS 27 0.542 -14.626 -4.652 212 HB2 HIS 27 HB2 HIS 27 -1.919 -13.965 -4.143 213 HB3 HIS 27 HB3 HIS 27 -1.479 -12.331 -4.626 214 HD2 HIS 27 HD2 HIS 27 -2.473 -15.707 -6.183 215 HE1 HIS 27 HE1 HIS 27 -1.282 -13.164 -9.344 216 HE2 HIS 27 HE2 HIS 27 -2.297 -15.403 -8.748 217 H SER 28 H SER 28 1.348 -13.561 -6.588 218 HA SER 28 HA SER 28 3.537 -11.861 -6.074 219 HB2 SER 28 HB2 SER 28 3.811 -11.903 -8.592 220 HB3 SER 28 HB3 SER 28 3.660 -13.494 -7.853 221 HG SER 28 HG SER 28 1.954 -13.822 -9.003 222 H SER 29 H SER 29 0.280 -11.245 -7.231 223 HA SER 29 HA SER 29 0.495 -8.670 -8.319 224 HB2 SER 29 HB2 SER 29 -1.852 -9.872 -6.774 225 HB3 SER 29 HB3 SER 29 -1.942 -8.496 -7.879 226 HG SER 29 HG SER 29 -2.229 -10.997 -8.489 227 H GLU 30 H GLU 30 0.516 -9.699 -4.973 228 HA GLU 30 HA GLU 30 -0.327 -7.131 -3.870 229 HB2 GLU 30 HB2 GLU 30 0.430 -9.745 -2.512 230 HB3 GLU 30 HB3 GLU 30 -0.323 -8.361 -1.727 231 HG2 GLU 30 HG2 GLU 30 -2.336 -8.632 -3.089 232 HG3 GLU 30 HG3 GLU 30 -1.593 -9.971 -3.971 233 H LEU 31 H LEU 31 0.968 -6.434 -1.794 234 HA LEU 31 HA LEU 31 3.886 -6.464 -2.358 235 HB2 LEU 31 HB2 LEU 31 2.195 -4.213 -1.196 236 HB3 LEU 31 HB3 LEU 31 3.947 -4.241 -1.079 237 HG LEU 31 HG LEU 31 2.294 -4.017 -3.613 238 HD11 LEU 31 HD11 LEU 31 3.392 -1.854 -3.885 239 HD12 LEU 31 HD12 LEU 31 4.270 -2.080 -2.370 240 HD13 LEU 31 HD13 LEU 31 2.512 -1.926 -2.361 241 HD21 LEU 31 HD21 LEU 31 4.418 -3.901 -4.865 242 HD22 LEU 31 HD22 LEU 31 4.183 -5.472 -4.106 243 HD23 LEU 31 HD23 LEU 31 5.309 -4.314 -3.395 244 H SER 32 H SER 32 5.253 -6.127 -0.538 245 HA SER 32 HA SER 32 4.323 -7.131 2.071 246 HB2 SER 32 HB2 SER 32 6.480 -8.430 2.206 247 HB3 SER 32 HB3 SER 32 5.415 -9.010 0.926 248 HG SER 32 HG SER 32 7.755 -8.657 0.442 249 H PHE 33 H PHE 33 5.208 -6.004 3.791 250 HA PHE 33 HA PHE 33 7.337 -4.161 3.693 251 HB2 PHE 33 HB2 PHE 33 5.990 -2.008 3.742 252 HB3 PHE 33 HB3 PHE 33 6.030 -2.812 2.182 253 HD1 PHE 33 HD1 PHE 33 3.861 -2.031 5.112 254 HD2 PHE 33 HD2 PHE 33 3.990 -3.594 1.121 255 HE1 PHE 33 HE1 PHE 33 1.406 -1.883 4.963 256 HE2 PHE 33 HE2 PHE 33 1.532 -3.442 0.992 257 HZ PHE 33 HZ PHE 33 0.246 -2.585 2.912 258 H GLU 34 H GLU 34 7.079 -2.475 5.527 259 HA GLU 34 HA GLU 34 5.662 -3.507 7.907 260 HB2 GLU 34 HB2 GLU 34 8.604 -2.689 7.789 261 HB3 GLU 34 HB3 GLU 34 7.719 -2.963 9.286 262 HG2 GLU 34 HG2 GLU 34 7.371 -5.328 8.638 263 HG3 GLU 34 HG3 GLU 34 8.271 -5.050 7.150 264 H ILE 35 H ILE 35 5.785 -1.760 9.712 265 HA ILE 35 HA ILE 35 4.467 0.556 8.830 266 HB ILE 35 HB ILE 35 5.868 0.186 11.522 267 HG12 ILE 35 HG12 ILE 35 2.984 -0.463 10.770 268 HG13 ILE 35 HG13 ILE 35 4.254 -1.656 11.002 269 HG21 ILE 35 HG21 ILE 35 3.597 2.071 10.751 270 HG22 ILE 35 HG22 ILE 35 5.258 2.548 11.110 271 HG23 ILE 35 HG23 ILE 35 4.242 1.867 12.383 272 HD11 ILE 35 HD11 ILE 35 4.425 -1.020 13.356 273 HD12 ILE 35 HD12 ILE 35 2.800 -1.541 12.922 274 HD13 ILE 35 HD13 ILE 35 3.144 0.176 13.131 275 H GLY 36 H GLY 36 5.154 2.474 8.112 276 HA2 GLY 36 HA2 GLY 36 6.593 4.398 8.256 277 HA3 GLY 36 HA3 GLY 36 7.972 3.332 8.492 278 H ALA 37 H ALA 37 6.426 1.636 6.294 279 HA ALA 37 HA ALA 37 8.008 2.308 4.092 280 HB1 ALA 37 HB1 ALA 37 5.425 0.693 4.147 281 HB2 ALA 37 HB2 ALA 37 7.043 0.052 4.426 282 HB3 ALA 37 HB3 ALA 37 6.615 0.694 2.841 283 H ILE 38 H ILE 38 7.851 4.255 3.197 284 HA ILE 38 HA ILE 38 5.344 5.655 2.815 285 HB ILE 38 HB ILE 38 8.093 6.430 1.733 286 HG12 ILE 38 HG12 ILE 38 8.164 6.242 4.216 287 HG13 ILE 38 HG13 ILE 38 8.332 7.912 3.695 288 HG21 ILE 38 HG21 ILE 38 6.242 7.593 0.585 289 HG22 ILE 38 HG22 ILE 38 7.143 8.724 1.594 290 HG23 ILE 38 HG23 ILE 38 5.579 8.115 2.138 291 HD11 ILE 38 HD11 ILE 38 5.839 6.642 4.813 292 HD12 ILE 38 HD12 ILE 38 5.987 8.322 4.285 293 HD13 ILE 38 HD13 ILE 38 6.935 7.736 5.651 294 H PHE 39 H PHE 39 4.080 5.356 1.141 295 HA PHE 39 HA PHE 39 5.046 4.150 -1.374 296 HB2 PHE 39 HB2 PHE 39 2.176 4.418 -0.335 297 HB3 PHE 39 HB3 PHE 39 2.683 3.566 -1.798 298 HD1 PHE 39 HD1 PHE 39 4.217 1.544 -1.573 299 HD2 PHE 39 HD2 PHE 39 2.215 3.306 1.785 300 HE1 PHE 39 HE1 PHE 39 4.611 -0.485 -0.243 301 HE2 PHE 39 HE2 PHE 39 2.627 1.265 3.082 302 HZ PHE 39 HZ PHE 39 3.822 -0.607 2.071 303 H GLU 40 H GLU 40 4.233 5.060 -3.342 304 HA GLU 40 HA GLU 40 3.203 7.830 -3.276 305 HB2 GLU 40 HB2 GLU 40 5.470 6.863 -5.080 306 HB3 GLU 40 HB3 GLU 40 4.744 8.472 -5.084 307 HG2 GLU 40 HG2 GLU 40 5.610 8.903 -2.842 308 HG3 GLU 40 HG3 GLU 40 6.267 7.270 -2.756 309 H ASP 41 H ASP 41 2.025 8.400 -5.148 310 HA ASP 41 HA ASP 41 0.389 8.114 -6.640 311 HB2 ASP 41 HB2 ASP 41 2.336 7.644 -8.136 312 HB3 ASP 41 HB3 ASP 41 2.166 5.927 -7.807 313 H VAL 42 H VAL 42 -0.465 7.194 -4.436 314 HA VAL 42 HA VAL 42 -1.279 4.444 -4.493 315 HB VAL 42 HB VAL 42 -2.439 6.663 -2.755 316 HG11 VAL 42 HG11 VAL 42 -3.812 4.627 -2.781 317 HG12 VAL 42 HG12 VAL 42 -3.001 4.770 -1.221 318 HG13 VAL 42 HG13 VAL 42 -2.397 3.635 -2.425 319 HG21 VAL 42 HG21 VAL 42 0.017 6.586 -2.501 320 HG22 VAL 42 HG22 VAL 42 -0.067 4.854 -2.160 321 HG23 VAL 42 HG23 VAL 42 -0.799 6.010 -1.046 322 H GLN 43 H GLN 43 -2.768 3.708 -5.722 323 HA GLN 43 HA GLN 43 -4.949 5.361 -6.849 324 HB2 GLN 43 HB2 GLN 43 -3.521 2.993 -8.175 325 HB3 GLN 43 HB3 GLN 43 -4.785 3.985 -8.892 326 HG2 GLN 43 HG2 GLN 43 -2.022 5.002 -8.140 327 HG3 GLN 43 HG3 GLN 43 -2.485 4.480 -9.756 328 HE21 GLN 43 HE21 GLN 43 -1.984 6.528 -10.619 329 HE22 GLN 43 HE22 GLN 43 -2.966 7.921 -10.343 330 H THR 44 H THR 44 -6.834 3.868 -7.454 331 HA THR 44 HA THR 44 -7.311 1.963 -5.270 332 HB THR 44 HB THR 44 -9.270 2.982 -7.358 333 HG1 THR 44 HG1 THR 44 -8.188 4.200 -5.139 334 HG21 THR 44 HG21 THR 44 -9.738 1.715 -4.642 335 HG22 THR 44 HG22 THR 44 -10.042 0.939 -6.199 336 HG23 THR 44 HG23 THR 44 -10.997 2.340 -5.700 337 H SER 45 H SER 45 -7.773 -0.201 -5.634 338 HA SER 45 HA SER 45 -6.909 -1.327 -8.218 339 HB2 SER 45 HB2 SER 45 -7.339 -2.694 -5.525 340 HB3 SER 45 HB3 SER 45 -6.659 -3.448 -6.972 341 HG SER 45 HG SER 45 -5.428 -1.113 -6.207 342 H ARG 46 H ARG 46 -8.048 -3.157 -9.088 343 HA ARG 46 HA ARG 46 -10.832 -2.974 -9.461 344 HB2 ARG 46 HB2 ARG 46 -9.147 -5.514 -9.695 345 HB3 ARG 46 HB3 ARG 46 -10.655 -5.172 -10.541 346 HG2 ARG 46 HG2 ARG 46 -9.575 -3.514 -11.928 347 HG3 ARG 46 HG3 ARG 46 -8.099 -3.602 -10.963 348 HD2 ARG 46 HD2 ARG 46 -9.237 -5.768 -12.758 349 HD3 ARG 46 HD3 ARG 46 -7.761 -4.832 -13.021 350 HE ARG 46 HE ARG 46 -7.774 -6.336 -10.546 351 HH11 ARG 46 HH11 ARG 46 -6.940 -6.529 -13.974 352 HH12 ARG 46 HH12 ARG 46 -5.838 -7.848 -13.735 353 HH21 ARG 46 HH21 ARG 46 -6.424 -8.090 -10.283 354 HH22 ARG 46 HH22 ARG 46 -5.548 -8.732 -11.637 355 H GLU 47 H GLU 47 -8.846 -4.748 -7.222 356 HA GLU 47 HA GLU 47 -10.822 -6.449 -6.059 357 HB2 GLU 47 HB2 GLU 47 -8.049 -5.596 -5.078 358 HB3 GLU 47 HB3 GLU 47 -9.025 -6.858 -4.341 359 HG2 GLU 47 HG2 GLU 47 -7.321 -7.893 -5.668 360 HG3 GLU 47 HG3 GLU 47 -8.881 -8.181 -6.428 361 HA PRO 48 HA PRO 48 -12.679 -3.317 -3.446 362 HB2 PRO 48 HB2 PRO 48 -14.104 -4.883 -1.711 363 HB3 PRO 48 HB3 PRO 48 -14.540 -4.734 -3.427 364 HG2 PRO 48 HG2 PRO 48 -13.015 -6.935 -2.065 365 HG3 PRO 48 HG3 PRO 48 -14.314 -7.059 -3.274 366 HD2 PRO 48 HD2 PRO 48 -11.671 -7.279 -3.939 367 HD3 PRO 48 HD3 PRO 48 -12.882 -6.628 -5.061 368 H GLY 49 H GLY 49 -11.558 -2.113 -2.069 369 HA2 GLY 49 HA2 GLY 49 -10.610 -1.393 -0.089 370 HA3 GLY 49 HA3 GLY 49 -10.820 -3.003 0.581 371 H TRP 50 H TRP 50 -9.189 -2.819 -2.427 372 HA TRP 50 HA TRP 50 -6.521 -2.883 -1.153 373 HB2 TRP 50 HB2 TRP 50 -7.505 -4.262 -3.693 374 HB3 TRP 50 HB3 TRP 50 -5.806 -4.176 -3.234 375 HD1 TRP 50 HD1 TRP 50 -9.088 -5.938 -2.245 376 HE1 TRP 50 HE1 TRP 50 -8.539 -7.853 -0.599 377 HE3 TRP 50 HE3 TRP 50 -4.101 -5.054 -1.562 378 HZ2 TRP 50 HZ2 TRP 50 -6.307 -8.847 0.798 379 HZ3 TRP 50 HZ3 TRP 50 -2.826 -6.528 -0.057 380 HH2 TRP 50 HH2 TRP 50 -3.907 -8.389 1.095 381 H LEU 51 H LEU 51 -4.888 -1.669 -2.089 382 HA LEU 51 HA LEU 51 -5.625 0.369 -4.111 383 HB2 LEU 51 HB2 LEU 51 -3.864 0.807 -1.652 384 HB3 LEU 51 HB3 LEU 51 -4.244 2.013 -2.872 385 HG LEU 51 HG LEU 51 -6.202 0.787 -0.888 386 HD11 LEU 51 HD11 LEU 51 -6.330 2.999 0.118 387 HD12 LEU 51 HD12 LEU 51 -5.130 3.615 -1.022 388 HD13 LEU 51 HD13 LEU 51 -4.679 2.381 0.158 389 HD21 LEU 51 HD21 LEU 51 -7.877 2.369 -1.723 390 HD22 LEU 51 HD22 LEU 51 -7.376 1.244 -2.981 391 HD23 LEU 51 HD23 LEU 51 -6.770 2.902 -2.996 392 H GLU 52 H GLU 52 -3.855 1.001 -5.514 393 HA GLU 52 HA GLU 52 -1.556 -0.846 -5.571 394 HB2 GLU 52 HB2 GLU 52 -2.733 0.999 -7.702 395 HB3 GLU 52 HB3 GLU 52 -1.248 0.079 -7.911 396 HG2 GLU 52 HG2 GLU 52 -2.556 -2.024 -7.564 397 HG3 GLU 52 HG3 GLU 52 -4.027 -1.055 -7.502 398 H GLY 53 H GLY 53 0.353 -0.044 -4.832 399 HA2 GLY 53 HA2 GLY 53 0.807 2.895 -4.742 400 HA3 GLY 53 HA3 GLY 53 0.958 1.928 -3.276 401 H THR 54 H THR 54 2.907 3.464 -5.071 402 HA THR 54 HA THR 54 4.747 1.404 -5.989 403 HB THR 54 HB THR 54 5.104 4.430 -6.170 404 HG1 THR 54 HG1 THR 54 3.182 3.171 -7.249 405 HG21 THR 54 HG21 THR 54 6.319 2.174 -7.828 406 HG22 THR 54 HG22 THR 54 7.179 3.095 -6.588 407 HG23 THR 54 HG23 THR 54 6.609 3.895 -8.058 408 H LEU 55 H LEU 55 6.200 0.644 -4.641 409 HA LEU 55 HA LEU 55 7.279 2.203 -2.372 410 HB2 LEU 55 HB2 LEU 55 5.936 0.156 -1.763 411 HB3 LEU 55 HB3 LEU 55 7.048 -0.825 -2.697 412 HG LEU 55 HG LEU 55 8.905 -0.212 -1.117 413 HD11 LEU 55 HD11 LEU 55 8.104 1.964 -0.349 414 HD12 LEU 55 HD12 LEU 55 8.418 0.901 1.023 415 HD13 LEU 55 HD13 LEU 55 6.759 1.199 0.498 416 HD21 LEU 55 HD21 LEU 55 7.650 -2.286 -0.784 417 HD22 LEU 55 HD22 LEU 55 6.477 -1.439 0.228 418 HD23 LEU 55 HD23 LEU 55 8.152 -1.607 0.766 419 H ASN 56 H ASN 56 9.272 2.894 -2.857 420 HA ASN 56 HA ASN 56 11.327 3.204 -3.726 421 HB2 ASN 56 HB2 ASN 56 11.451 0.280 -4.531 422 HB3 ASN 56 HB3 ASN 56 12.800 1.386 -4.329 423 HD21 ASN 56 HD21 ASN 56 10.569 -0.701 -2.752 424 HD22 ASN 56 HD22 ASN 56 11.250 -0.609 -1.166 425 H GLY 57 H GLY 57 10.087 0.719 -5.911 426 HA2 GLY 57 HA2 GLY 57 9.251 2.573 -7.965 427 HA3 GLY 57 HA3 GLY 57 10.705 1.661 -8.378 428 H LYS 58 H LYS 58 8.078 0.420 -6.364 429 HA LYS 58 HA LYS 58 7.292 -1.497 -8.482 430 HB2 LYS 58 HB2 LYS 58 8.910 -2.556 -6.893 431 HB3 LYS 58 HB3 LYS 58 7.832 -2.160 -5.567 432 HG2 LYS 58 HG2 LYS 58 6.082 -3.629 -6.580 433 HG3 LYS 58 HG3 LYS 58 7.235 -4.076 -7.846 434 HD2 LYS 58 HD2 LYS 58 8.752 -5.013 -6.118 435 HD3 LYS 58 HD3 LYS 58 7.597 -4.566 -4.862 436 HE2 LYS 58 HE2 LYS 58 5.930 -6.094 -5.904 437 HE3 LYS 58 HE3 LYS 58 7.153 -6.585 -7.082 438 HZ1 LYS 58 HZ1 LYS 58 7.267 -6.959 -4.139 439 HZ2 LYS 58 HZ2 LYS 58 8.531 -7.328 -5.194 440 HZ3 LYS 58 HZ3 LYS 58 7.069 -8.166 -5.305 441 H ARG 59 H ARG 59 5.171 -1.404 -8.787 442 HA ARG 59 HA ARG 59 3.292 -0.369 -6.762 443 HB2 ARG 59 HB2 ARG 59 2.968 0.618 -8.947 444 HB3 ARG 59 HB3 ARG 59 3.041 -0.950 -9.741 445 HG2 ARG 59 HG2 ARG 59 0.864 -1.539 -8.589 446 HG3 ARG 59 HG3 ARG 59 0.794 0.124 -8.006 447 HD2 ARG 59 HD2 ARG 59 0.957 -0.600 -10.942 448 HD3 ARG 59 HD3 ARG 59 -0.569 -0.395 -10.080 449 HE ARG 59 HE ARG 59 1.342 1.830 -10.020 450 HH11 ARG 59 HH11 ARG 59 -1.671 0.530 -11.337 451 HH12 ARG 59 HH12 ARG 59 -2.204 2.074 -11.913 452 HH21 ARG 59 HH21 ARG 59 0.612 3.816 -10.769 453 HH22 ARG 59 HH22 ARG 59 -0.905 3.932 -11.590 454 H GLY 60 H GLY 60 1.625 -1.678 -5.938 455 HA2 GLY 60 HA2 GLY 60 0.822 -4.194 -6.999 456 HA3 GLY 60 HA3 GLY 60 1.912 -4.448 -5.634 457 H LEU 61 H LEU 61 -0.262 -5.518 -4.983 458 HA LEU 61 HA LEU 61 -2.410 -3.763 -4.201 459 HB2 LEU 61 HB2 LEU 61 -2.002 -6.743 -3.770 460 HB3 LEU 61 HB3 LEU 61 -3.420 -5.873 -3.213 461 HG LEU 61 HG LEU 61 -2.566 -6.212 -6.090 462 HD11 LEU 61 HD11 LEU 61 -4.927 -7.390 -4.626 463 HD12 LEU 61 HD12 LEU 61 -3.481 -8.261 -5.145 464 HD13 LEU 61 HD13 LEU 61 -4.572 -7.574 -6.347 465 HD21 LEU 61 HD21 LEU 61 -4.722 -5.125 -6.650 466 HD22 LEU 61 HD22 LEU 61 -3.589 -4.048 -5.844 467 HD23 LEU 61 HD23 LEU 61 -4.941 -4.739 -4.941 468 H ILE 62 H ILE 62 -2.619 -2.797 -2.415 469 HA ILE 62 HA ILE 62 -1.151 -3.504 0.041 470 HB ILE 62 HB ILE 62 -2.008 -0.756 -1.006 471 HG12 ILE 62 HG12 ILE 62 0.806 -1.905 -0.676 472 HG13 ILE 62 HG13 ILE 62 -0.026 -1.651 -2.207 473 HG21 ILE 62 HG21 ILE 62 -2.200 -0.858 1.445 474 HG22 ILE 62 HG22 ILE 62 -0.880 0.206 0.959 475 HG23 ILE 62 HG23 ILE 62 -0.528 -1.412 1.563 476 HD11 ILE 62 HD11 ILE 62 0.874 0.480 -0.278 477 HD12 ILE 62 HD12 ILE 62 -0.054 0.769 -1.754 478 HD13 ILE 62 HD13 ILE 62 1.569 0.087 -1.851 479 HA PRO 63 HA PRO 63 -5.441 -3.635 1.660 480 HB2 PRO 63 HB2 PRO 63 -4.163 -3.778 4.356 481 HB3 PRO 63 HB3 PRO 63 -5.219 -4.964 3.552 482 HG2 PRO 63 HG2 PRO 63 -2.597 -5.458 3.930 483 HG3 PRO 63 HG3 PRO 63 -3.475 -6.049 2.501 484 HD2 PRO 63 HD2 PRO 63 -1.651 -3.651 2.726 485 HD3 PRO 63 HD3 PRO 63 -1.743 -4.880 1.441 486 H GLN 64 H GLN 64 -6.547 -1.721 1.805 487 HA GLN 64 HA GLN 64 -5.304 0.778 2.130 488 HB2 GLN 64 HB2 GLN 64 -7.620 1.741 2.114 489 HB3 GLN 64 HB3 GLN 64 -7.268 0.654 0.788 490 HG2 GLN 64 HG2 GLN 64 -9.447 0.083 1.339 491 HG3 GLN 64 HG3 GLN 64 -8.503 -1.138 2.168 492 HE21 GLN 64 HE21 GLN 64 -10.414 1.774 2.587 493 HE22 GLN 64 HE22 GLN 64 -10.764 1.525 4.260 494 H ASN 65 H ASN 65 -6.743 -1.316 4.479 495 HA ASN 65 HA ASN 65 -7.062 0.432 6.693 496 HB2 ASN 65 HB2 ASN 65 -8.093 -1.827 6.541 497 HB3 ASN 65 HB3 ASN 65 -6.499 -2.571 6.609 498 HD21 ASN 65 HD21 ASN 65 -6.838 -3.715 8.462 499 HD22 ASN 65 HD22 ASN 65 -7.105 -2.997 10.010 500 H TYR 66 H TYR 66 -4.301 -1.252 5.354 501 HA TYR 66 HA TYR 66 -2.664 -1.059 7.744 502 HB2 TYR 66 HB2 TYR 66 -2.185 -2.249 4.990 503 HB3 TYR 66 HB3 TYR 66 -0.917 -2.159 6.209 504 HD1 TYR 66 HD2 TYR 66 -4.147 -2.796 7.739 505 HD2 TYR 66 HD1 TYR 66 -0.897 -4.684 5.701 506 HE1 TYR 66 HE2 TYR 66 -4.847 -4.981 8.625 507 HE2 TYR 66 HE1 TYR 66 -1.603 -6.857 6.592 508 HH TYR 66 HH TYR 66 -2.875 -7.786 8.383 509 H VAL 67 H VAL 67 -3.333 1.045 5.171 510 HA VAL 67 HA VAL 67 -0.847 2.563 5.740 511 HB VAL 67 HB VAL 67 -0.915 3.474 3.412 512 HG11 VAL 67 HG11 VAL 67 0.046 1.478 2.313 513 HG12 VAL 67 HG12 VAL 67 -0.590 0.466 3.614 514 HG13 VAL 67 HG13 VAL 67 0.635 1.687 3.963 515 HG21 VAL 67 HG21 VAL 67 -2.238 2.322 1.647 516 HG22 VAL 67 HG22 VAL 67 -3.282 3.067 2.859 517 HG23 VAL 67 HG23 VAL 67 -3.016 1.323 2.885 518 H LYS 68 H LYS 68 -1.010 4.698 5.961 519 HA LYS 68 HA LYS 68 -3.639 6.033 6.020 520 HB2 LYS 68 HB2 LYS 68 -2.384 6.059 8.172 521 HB3 LYS 68 HB3 LYS 68 -0.979 6.744 7.359 522 HG2 LYS 68 HG2 LYS 68 -2.426 8.743 6.768 523 HG3 LYS 68 HG3 LYS 68 -3.660 8.065 7.836 524 HD2 LYS 68 HD2 LYS 68 -2.178 8.278 9.765 525 HD3 LYS 68 HD3 LYS 68 -0.834 8.772 8.728 526 HE2 LYS 68 HE2 LYS 68 -2.119 10.800 8.085 527 HE3 LYS 68 HE3 LYS 68 -3.405 10.320 9.188 528 HZ1 LYS 68 HZ1 LYS 68 -1.908 10.567 11.027 529 HZ2 LYS 68 HZ2 LYS 68 -1.895 11.988 10.117 530 HZ3 LYS 68 HZ3 LYS 68 -0.610 10.898 10.001 531 H LEU 69 H LEU 69 -3.987 7.330 4.296 532 HA LEU 69 HA LEU 69 -2.010 7.810 2.293 533 HB2 LEU 69 HB2 LEU 69 -4.779 9.049 2.594 534 HB3 LEU 69 HB3 LEU 69 -3.794 9.075 1.140 535 HG LEU 69 HG LEU 69 -5.091 6.628 2.403 536 HD11 LEU 69 HD11 LEU 69 -5.639 8.007 -0.243 537 HD12 LEU 69 HD12 LEU 69 -6.673 8.018 1.189 538 HD13 LEU 69 HD13 LEU 69 -6.394 6.510 0.321 539 HD21 LEU 69 HD21 LEU 69 -3.276 6.736 -0.027 540 HD22 LEU 69 HD22 LEU 69 -4.210 5.333 0.498 541 HD23 LEU 69 HD23 LEU 69 -2.924 5.962 1.521 542 H LEU 70 H LEU 70 -0.467 9.289 2.397 543 HA LEU 70 HA LEU 70 -0.522 11.565 4.183 544 HB2 LEU 70 HB2 LEU 70 1.557 10.872 2.064 545 HB3 LEU 70 HB3 LEU 70 1.756 11.978 3.412 546 HG LEU 70 HG LEU 70 1.503 8.952 3.579 547 HD11 LEU 70 HD11 LEU 70 3.885 10.733 4.172 548 HD12 LEU 70 HD12 LEU 70 3.683 9.670 2.776 549 HD13 LEU 70 HD13 LEU 70 3.808 8.978 4.390 550 HD21 LEU 70 HD21 LEU 70 0.384 9.918 5.510 551 HD22 LEU 70 HD22 LEU 70 1.791 10.921 5.874 552 HD23 LEU 70 HD23 LEU 70 1.896 9.161 6.002 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -27.228 4.356 -9.030 2 H2 MET 1 H2 MET 1 -27.510 5.559 -7.878 3 H3 MET 1 H3 MET 1 -26.782 4.109 -7.420 4 HA MET 1 HA MET 1 -24.854 4.577 -8.717 5 HB2 MET 1 HB2 MET 1 -26.058 5.870 -10.493 6 HB3 MET 1 HB3 MET 1 -26.234 7.217 -9.378 7 HG2 MET 1 HG2 MET 1 -23.773 7.470 -9.310 8 HG3 MET 1 HG3 MET 1 -23.606 6.123 -10.434 9 HE1 MET 1 HE1 MET 1 -24.614 6.219 -12.974 10 HE2 MET 1 HE2 MET 1 -25.323 7.675 -13.669 11 HE3 MET 1 HE3 MET 1 -26.188 6.794 -12.410 12 H GLY 2 H GLY 2 -23.153 5.340 -7.481 13 HA2 GLY 2 HA2 GLY 2 -22.094 7.041 -6.139 14 HA3 GLY 2 HA3 GLY 2 -23.650 7.427 -5.413 15 H HIS 3 H HIS 3 -23.037 4.070 -5.770 16 HA HIS 3 HA HIS 3 -22.252 3.810 -2.930 17 HB2 HIS 3 HB2 HIS 3 -23.329 1.737 -4.896 18 HB3 HIS 3 HB3 HIS 3 -22.809 1.370 -3.253 19 HD1 HIS 3 HD1 HIS 3 -24.573 1.530 -1.483 20 HD2 HIS 3 HD2 HIS 3 -25.622 3.599 -4.932 21 HE1 HIS 3 HE1 HIS 3 -26.924 2.317 -1.116 22 HE2 HIS 3 HE2 HIS 3 -27.582 3.415 -3.279 23 H HIS 4 H HIS 4 -20.332 2.947 -2.355 24 HA HIS 4 HA HIS 4 -18.152 2.386 -2.397 25 HB2 HIS 4 HB2 HIS 4 -19.211 0.305 -3.476 26 HB3 HIS 4 HB3 HIS 4 -18.720 0.955 -5.031 27 HD1 HIS 4 HD1 HIS 4 -17.049 -0.874 -5.607 28 HD2 HIS 4 HD2 HIS 4 -16.332 0.865 -1.905 29 HE1 HIS 4 HE1 HIS 4 -14.875 -1.846 -4.804 30 HE2 HIS 4 HE2 HIS 4 -14.575 -0.911 -2.495 31 H HIS 5 H HIS 5 -18.463 4.864 -3.003 32 HA HIS 5 HA HIS 5 -17.496 5.761 -5.561 33 HB2 HIS 5 HB2 HIS 5 -19.114 7.064 -4.214 34 HB3 HIS 5 HB3 HIS 5 -17.925 7.259 -2.941 35 HD1 HIS 5 HD1 HIS 5 -16.365 9.251 -3.119 36 HD2 HIS 5 HD2 HIS 5 -18.524 8.611 -6.617 37 HE1 HIS 5 HE1 HIS 5 -15.954 11.268 -4.556 38 HE2 HIS 5 HE2 HIS 5 -17.089 10.748 -6.736 39 H HIS 6 H HIS 6 -16.004 4.582 -2.792 40 HA HIS 6 HA HIS 6 -13.916 3.928 -2.379 41 HB2 HIS 6 HB2 HIS 6 -12.959 5.399 -4.862 42 HB3 HIS 6 HB3 HIS 6 -12.081 4.166 -3.969 43 HD1 HIS 6 HD1 HIS 6 -14.237 4.595 -6.832 44 HD2 HIS 6 HD2 HIS 6 -13.450 1.529 -4.145 45 HE1 HIS 6 HE1 HIS 6 -15.044 2.498 -7.940 46 HE2 HIS 6 HE2 HIS 6 -14.370 0.651 -6.379 47 H HIS 7 H HIS 7 -13.316 7.164 -3.802 48 HA HIS 7 HA HIS 7 -12.075 7.986 -1.243 49 HB2 HIS 7 HB2 HIS 7 -11.339 8.601 -4.122 50 HB3 HIS 7 HB3 HIS 7 -10.813 9.655 -2.817 51 HD1 HIS 7 HD1 HIS 7 -10.111 6.358 -4.383 52 HD2 HIS 7 HD2 HIS 7 -8.918 8.525 -1.054 53 HE1 HIS 7 HE1 HIS 7 -8.072 5.192 -3.504 54 HE2 HIS 7 HE2 HIS 7 -7.231 6.689 -1.677 55 H HIS 8 H HIS 8 -13.369 9.269 -0.153 56 HA HIS 8 HA HIS 8 -15.222 11.138 -1.387 57 HB2 HIS 8 HB2 HIS 8 -15.781 9.878 0.735 58 HB3 HIS 8 HB3 HIS 8 -14.524 10.779 1.568 59 HD1 HIS 8 HD1 HIS 8 -15.098 13.113 2.378 60 HD2 HIS 8 HD2 HIS 8 -18.085 11.437 0.026 61 HE1 HIS 8 HE1 HIS 8 -17.090 14.617 2.646 62 HE2 HIS 8 HE2 HIS 8 -18.886 13.569 1.225 63 H SER 9 H SER 9 -13.571 12.304 -2.562 64 HA SER 9 HA SER 9 -12.531 14.649 -1.298 65 HB2 SER 9 HB2 SER 9 -10.831 12.913 -0.558 66 HB3 SER 9 HB3 SER 9 -10.448 12.614 -2.253 67 HG SER 9 HG SER 9 -9.767 14.753 -0.606 68 H HIS 10 H HIS 10 -10.611 15.381 -3.136 69 HA HIS 10 HA HIS 10 -11.487 15.000 -5.870 70 HB2 HIS 10 HB2 HIS 10 -11.847 17.523 -6.159 71 HB3 HIS 10 HB3 HIS 10 -13.110 16.690 -5.265 72 HD1 HIS 10 HD1 HIS 10 -13.477 17.336 -2.831 73 HD2 HIS 10 HD2 HIS 10 -10.233 19.293 -4.539 74 HE1 HIS 10 HE1 HIS 10 -12.818 19.116 -1.195 75 HE2 HIS 10 HE2 HIS 10 -10.970 20.382 -2.328 76 H MET 11 H MET 11 -9.966 15.976 -7.386 77 HA MET 11 HA MET 11 -7.880 16.263 -8.216 78 HB2 MET 11 HB2 MET 11 -7.489 17.892 -5.670 79 HB3 MET 11 HB3 MET 11 -6.318 17.848 -6.980 80 HG2 MET 11 HG2 MET 11 -8.073 18.788 -8.508 81 HG3 MET 11 HG3 MET 11 -9.136 18.964 -7.101 82 HE1 MET 11 HE1 MET 11 -8.137 21.301 -9.166 83 HE2 MET 11 HE2 MET 11 -7.826 22.639 -8.061 84 HE3 MET 11 HE3 MET 11 -9.283 21.657 -7.872 85 H ILE 12 H ILE 12 -8.151 13.840 -7.348 86 HA ILE 12 HA ILE 12 -6.403 13.089 -5.126 87 HB ILE 12 HB ILE 12 -8.199 11.296 -6.853 88 HG12 ILE 12 HG12 ILE 12 -8.944 12.682 -4.230 89 HG13 ILE 12 HG13 ILE 12 -9.446 13.243 -5.818 90 HG21 ILE 12 HG21 ILE 12 -6.587 10.023 -5.467 91 HG22 ILE 12 HG22 ILE 12 -8.239 9.772 -4.903 92 HG23 ILE 12 HG23 ILE 12 -7.163 10.857 -4.019 93 HD11 ILE 12 HD11 ILE 12 -10.198 10.602 -4.582 94 HD12 ILE 12 HD12 ILE 12 -10.720 11.207 -6.156 95 HD13 ILE 12 HD13 ILE 12 -11.215 12.039 -4.682 96 H ARG 13 H ARG 13 -5.573 13.897 -8.085 97 HA ARG 13 HA ARG 13 -4.318 11.704 -9.344 98 HB2 ARG 13 HB2 ARG 13 -4.948 13.887 -10.417 99 HB3 ARG 13 HB3 ARG 13 -3.636 14.676 -9.561 100 HG2 ARG 13 HG2 ARG 13 -3.132 12.397 -11.503 101 HG3 ARG 13 HG3 ARG 13 -3.306 14.057 -12.059 102 HD2 ARG 13 HD2 ARG 13 -1.169 12.978 -10.190 103 HD3 ARG 13 HD3 ARG 13 -0.951 13.507 -11.861 104 HE ARG 13 HE ARG 13 -1.995 15.693 -10.521 105 HH11 ARG 13 HH11 ARG 13 0.972 13.778 -10.262 106 HH12 ARG 13 HH12 ARG 13 1.902 15.098 -9.626 107 HH21 ARG 13 HH21 ARG 13 -0.739 17.396 -9.670 108 HH22 ARG 13 HH22 ARG 13 0.931 17.133 -9.295 109 H SER 14 H SER 14 -2.744 10.546 -8.505 110 HA SER 14 HA SER 14 -0.815 9.800 -7.690 111 HB2 SER 14 HB2 SER 14 0.149 11.438 -9.342 112 HB3 SER 14 HB3 SER 14 0.288 12.615 -8.037 113 HG SER 14 HG SER 14 1.567 10.083 -8.221 114 H ARG 15 H ARG 15 -1.890 9.433 -5.721 115 HA ARG 15 HA ARG 15 -1.489 11.234 -3.458 116 HB2 ARG 15 HB2 ARG 15 -2.844 8.526 -3.744 117 HB3 ARG 15 HB3 ARG 15 -2.651 9.317 -2.184 118 HG2 ARG 15 HG2 ARG 15 -4.070 10.666 -4.497 119 HG3 ARG 15 HG3 ARG 15 -4.909 9.577 -3.388 120 HD2 ARG 15 HD2 ARG 15 -5.241 11.873 -2.673 121 HD3 ARG 15 HD3 ARG 15 -4.246 11.025 -1.488 122 HE ARG 15 HE ARG 15 -3.111 12.859 -3.522 123 HH11 ARG 15 HH11 ARG 15 -3.333 11.800 -0.182 124 HH12 ARG 15 HH12 ARG 15 -2.094 12.873 0.373 125 HH21 ARG 15 HH21 ARG 15 -1.452 14.223 -2.802 126 HH22 ARG 15 HH22 ARG 15 -1.021 14.256 -1.123 127 H LYS 16 H LYS 16 -0.548 10.339 -1.418 128 HA LYS 16 HA LYS 16 1.284 8.042 -1.808 129 HB2 LYS 16 HB2 LYS 16 1.850 10.622 -0.287 130 HB3 LYS 16 HB3 LYS 16 2.756 9.133 0.012 131 HG2 LYS 16 HG2 LYS 16 3.484 9.082 -2.332 132 HG3 LYS 16 HG3 LYS 16 2.565 10.557 -2.666 133 HD2 LYS 16 HD2 LYS 16 4.004 11.810 -1.091 134 HD3 LYS 16 HD3 LYS 16 4.907 10.335 -0.723 135 HE2 LYS 16 HE2 LYS 16 5.713 10.214 -3.014 136 HE3 LYS 16 HE3 LYS 16 4.713 11.588 -3.483 137 HZ1 LYS 16 HZ1 LYS 16 7.038 12.175 -3.125 138 HZ2 LYS 16 HZ2 LYS 16 6.922 11.701 -1.508 139 HZ3 LYS 16 HZ3 LYS 16 6.008 13.001 -2.077 140 H ALA 17 H ALA 17 1.871 7.068 0.329 141 HA ALA 17 HA ALA 17 -0.109 7.205 2.448 142 HB1 ALA 17 HB1 ALA 17 -0.656 4.787 2.344 143 HB2 ALA 17 HB2 ALA 17 0.296 4.635 0.863 144 HB3 ALA 17 HB3 ALA 17 -1.167 5.620 0.870 145 H ARG 18 H ARG 18 0.559 5.817 4.275 146 HA ARG 18 HA ARG 18 3.340 4.856 4.226 147 HB2 ARG 18 HB2 ARG 18 3.417 7.122 5.235 148 HB3 ARG 18 HB3 ARG 18 2.193 6.652 6.414 149 HG2 ARG 18 HG2 ARG 18 3.769 4.946 7.329 150 HG3 ARG 18 HG3 ARG 18 4.992 5.476 6.171 151 HD2 ARG 18 HD2 ARG 18 5.427 6.460 8.349 152 HD3 ARG 18 HD3 ARG 18 4.966 7.727 7.208 153 HE ARG 18 HE ARG 18 2.611 7.089 8.395 154 HH11 ARG 18 HH11 ARG 18 5.751 8.008 9.718 155 HH12 ARG 18 HH12 ARG 18 5.069 8.738 11.141 156 HH21 ARG 18 HH21 ARG 18 1.737 8.036 10.260 157 HH22 ARG 18 HH22 ARG 18 2.786 8.751 11.443 158 H ALA 19 H ALA 19 3.461 2.911 5.040 159 HA ALA 19 HA ALA 19 1.306 1.410 6.025 160 HB1 ALA 19 HB1 ALA 19 3.286 0.379 5.008 161 HB2 ALA 19 HB2 ALA 19 3.020 -0.276 6.625 162 HB3 ALA 19 HB3 ALA 19 4.287 0.924 6.357 163 H VAL 20 H VAL 20 0.294 1.797 7.886 164 HA VAL 20 HA VAL 20 1.726 2.619 10.338 165 HB VAL 20 HB VAL 20 -0.546 3.041 11.289 166 HG11 VAL 20 HG11 VAL 20 -0.076 4.438 8.617 167 HG12 VAL 20 HG12 VAL 20 0.640 4.889 10.168 168 HG13 VAL 20 HG13 VAL 20 -1.100 5.037 9.930 169 HG21 VAL 20 HG21 VAL 20 -1.853 1.376 10.009 170 HG22 VAL 20 HG22 VAL 20 -1.600 2.295 8.523 171 HG23 VAL 20 HG23 VAL 20 -2.561 2.986 9.835 172 H TYR 21 H TYR 21 0.254 -0.066 8.784 173 HA TYR 21 HA TYR 21 0.956 -1.817 11.058 174 HB2 TYR 21 HB2 TYR 21 -1.356 -2.228 9.089 175 HB3 TYR 21 HB3 TYR 21 -0.865 -3.376 10.330 176 HD1 TYR 21 HD2 TYR 21 -0.782 -2.305 12.805 177 HD2 TYR 21 HD1 TYR 21 -3.209 -0.860 9.594 178 HE1 TYR 21 HE2 TYR 21 -2.280 -1.235 14.422 179 HE2 TYR 21 HE1 TYR 21 -4.717 0.213 11.217 180 HH TYR 21 HH TYR 21 -3.900 0.535 14.557 181 HA PRO 22 HA PRO 22 3.453 -3.634 7.762 182 HB2 PRO 22 HB2 PRO 22 4.491 -5.777 9.043 183 HB3 PRO 22 HB3 PRO 22 4.913 -4.127 9.552 184 HG2 PRO 22 HG2 PRO 22 2.986 -6.053 10.810 185 HG3 PRO 22 HG3 PRO 22 4.128 -4.934 11.589 186 HD2 PRO 22 HD2 PRO 22 1.394 -4.427 11.210 187 HD3 PRO 22 HD3 PRO 22 2.622 -3.188 11.533 188 H CYS 23 H CYS 23 3.464 -5.475 6.328 189 HA CYS 23 HA CYS 23 1.369 -7.511 6.565 190 HB2 CYS 23 HB2 CYS 23 0.265 -5.597 5.432 191 HB3 CYS 23 HB3 CYS 23 1.538 -5.572 4.218 192 HG CYS 23 HG CYS 23 -0.647 -8.146 4.710 193 H GLU 24 H GLU 24 2.068 -9.412 5.718 194 HA GLU 24 HA GLU 24 4.180 -9.410 3.642 195 HB2 GLU 24 HB2 GLU 24 3.755 -11.378 5.932 196 HB3 GLU 24 HB3 GLU 24 4.770 -11.743 4.537 197 HG2 GLU 24 HG2 GLU 24 6.252 -9.872 5.090 198 HG3 GLU 24 HG3 GLU 24 5.215 -9.415 6.440 199 H ALA 25 H ALA 25 2.944 -9.540 1.903 200 HA ALA 25 HA ALA 25 0.666 -11.345 1.691 201 HB1 ALA 25 HB1 ALA 25 0.343 -10.267 -0.507 202 HB2 ALA 25 HB2 ALA 25 1.854 -9.374 -0.300 203 HB3 ALA 25 HB3 ALA 25 0.492 -9.065 0.780 204 H GLU 26 H GLU 26 0.635 -13.174 0.402 205 HA GLU 26 HA GLU 26 3.237 -14.401 -0.080 206 HB2 GLU 26 HB2 GLU 26 2.089 -16.509 -0.342 207 HB3 GLU 26 HB3 GLU 26 1.454 -15.704 1.082 208 HG2 GLU 26 HG2 GLU 26 0.056 -15.748 -1.616 209 HG3 GLU 26 HG3 GLU 26 -0.235 -16.912 -0.331 210 H HIS 27 H HIS 27 0.641 -13.013 -1.992 211 HA HIS 27 HA HIS 27 1.693 -14.045 -4.511 212 HB2 HIS 27 HB2 HIS 27 -0.587 -12.123 -3.888 213 HB3 HIS 27 HB3 HIS 27 -0.047 -12.429 -5.537 214 HD2 HIS 27 HD2 HIS 27 -1.902 -14.280 -2.643 215 HE1 HIS 27 HE1 HIS 27 -2.289 -16.519 -6.202 216 HE2 HIS 27 HE2 HIS 27 -3.029 -16.298 -3.791 217 H SER 28 H SER 28 2.683 -12.814 -6.114 218 HA SER 28 HA SER 28 4.625 -10.926 -5.176 219 HB2 SER 28 HB2 SER 28 3.999 -11.770 -8.036 220 HB3 SER 28 HB3 SER 28 5.503 -11.046 -7.455 221 HG SER 28 HG SER 28 4.914 -13.593 -7.603 222 H SER 29 H SER 29 1.640 -10.743 -7.058 223 HA SER 29 HA SER 29 1.778 -8.096 -8.020 224 HB2 SER 29 HB2 SER 29 -0.770 -8.345 -8.123 225 HB3 SER 29 HB3 SER 29 0.139 -9.609 -8.955 226 HG SER 29 HG SER 29 -1.665 -10.197 -7.401 227 H GLU 30 H GLU 30 0.431 -9.518 -5.074 228 HA GLU 30 HA GLU 30 -0.250 -7.064 -3.749 229 HB2 GLU 30 HB2 GLU 30 0.110 -9.932 -2.768 230 HB3 GLU 30 HB3 GLU 30 -0.532 -8.630 -1.773 231 HG2 GLU 30 HG2 GLU 30 -2.441 -8.369 -3.262 232 HG3 GLU 30 HG3 GLU 30 -1.770 -9.565 -4.376 233 H LEU 31 H LEU 31 0.941 -6.006 -2.081 234 HA LEU 31 HA LEU 31 3.843 -6.407 -2.276 235 HB2 LEU 31 HB2 LEU 31 2.291 -3.981 -1.290 236 HB3 LEU 31 HB3 LEU 31 4.046 -4.100 -1.367 237 HG LEU 31 HG LEU 31 2.092 -3.959 -3.668 238 HD11 LEU 31 HD11 LEU 31 4.419 -2.167 -2.942 239 HD12 LEU 31 HD12 LEU 31 2.713 -1.813 -2.667 240 HD13 LEU 31 HD13 LEU 31 3.319 -1.957 -4.313 241 HD21 LEU 31 HD21 LEU 31 3.722 -5.642 -4.293 242 HD22 LEU 31 HD22 LEU 31 5.049 -4.547 -3.886 243 HD23 LEU 31 HD23 LEU 31 3.968 -4.171 -5.233 244 H SER 32 H SER 32 5.112 -6.596 -0.578 245 HA SER 32 HA SER 32 3.992 -6.928 2.150 246 HB2 SER 32 HB2 SER 32 6.598 -8.024 0.992 247 HB3 SER 32 HB3 SER 32 5.970 -8.328 2.618 248 HG SER 32 HG SER 32 4.612 -9.016 0.213 249 H PHE 33 H PHE 33 5.084 -5.825 3.865 250 HA PHE 33 HA PHE 33 7.096 -3.878 3.473 251 HB2 PHE 33 HB2 PHE 33 5.574 -1.847 3.727 252 HB3 PHE 33 HB3 PHE 33 5.515 -2.652 2.167 253 HD1 PHE 33 HD1 PHE 33 3.632 -2.164 5.359 254 HD2 PHE 33 HD2 PHE 33 3.452 -3.579 1.317 255 HE1 PHE 33 HE1 PHE 33 1.176 -2.243 5.485 256 HE2 PHE 33 HE2 PHE 33 0.998 -3.654 1.464 257 HZ PHE 33 HZ PHE 33 -0.140 -2.978 3.544 258 H GLU 34 H GLU 34 7.394 -2.490 5.314 259 HA GLU 34 HA GLU 34 6.320 -3.514 7.885 260 HB2 GLU 34 HB2 GLU 34 8.956 -2.137 7.204 261 HB3 GLU 34 HB3 GLU 34 8.426 -2.448 8.854 262 HG2 GLU 34 HG2 GLU 34 8.961 -4.591 6.764 263 HG3 GLU 34 HG3 GLU 34 10.093 -4.089 8.018 264 H ILE 35 H ILE 35 6.211 -1.799 9.625 265 HA ILE 35 HA ILE 35 4.636 0.433 8.894 266 HB ILE 35 HB ILE 35 6.162 0.018 11.516 267 HG12 ILE 35 HG12 ILE 35 3.300 -0.722 10.756 268 HG13 ILE 35 HG13 ILE 35 4.615 -1.850 11.072 269 HG21 ILE 35 HG21 ILE 35 5.469 2.375 11.230 270 HG22 ILE 35 HG22 ILE 35 4.525 1.604 12.504 271 HG23 ILE 35 HG23 ILE 35 3.810 1.862 10.911 272 HD11 ILE 35 HD11 ILE 35 4.664 -1.107 13.420 273 HD12 ILE 35 HD12 ILE 35 3.097 -1.755 12.942 274 HD13 ILE 35 HD13 ILE 35 3.315 -0.011 13.091 275 H GLY 36 H GLY 36 5.259 2.295 8.009 276 HA2 GLY 36 HA2 GLY 36 6.574 4.333 8.170 277 HA3 GLY 36 HA3 GLY 36 8.003 3.350 8.442 278 H ALA 37 H ALA 37 6.659 1.524 6.269 279 HA ALA 37 HA ALA 37 8.210 2.305 4.066 280 HB1 ALA 37 HB1 ALA 37 7.498 -0.025 4.443 281 HB2 ALA 37 HB2 ALA 37 6.984 0.529 2.848 282 HB3 ALA 37 HB3 ALA 37 5.814 0.430 4.170 283 H ILE 38 H ILE 38 7.855 4.058 2.913 284 HA ILE 38 HA ILE 38 5.279 5.353 2.648 285 HB ILE 38 HB ILE 38 7.901 6.102 1.267 286 HG12 ILE 38 HG12 ILE 38 8.259 6.078 3.718 287 HG13 ILE 38 HG13 ILE 38 8.285 7.729 3.108 288 HG21 ILE 38 HG21 ILE 38 5.950 7.167 0.222 289 HG22 ILE 38 HG22 ILE 38 6.902 8.375 1.088 290 HG23 ILE 38 HG23 ILE 38 5.402 7.767 1.791 291 HD11 ILE 38 HD11 ILE 38 5.996 6.404 4.552 292 HD12 ILE 38 HD12 ILE 38 6.017 8.068 3.958 293 HD13 ILE 38 HD13 ILE 38 7.135 7.567 5.225 294 H PHE 39 H PHE 39 3.980 5.301 0.914 295 HA PHE 39 HA PHE 39 4.734 3.788 -1.513 296 HB2 PHE 39 HB2 PHE 39 1.918 4.144 -0.379 297 HB3 PHE 39 HB3 PHE 39 2.412 3.079 -1.696 298 HD1 PHE 39 HD1 PHE 39 4.074 1.177 -1.148 299 HD2 PHE 39 HD2 PHE 39 1.895 3.330 1.842 300 HE1 PHE 39 HE1 PHE 39 4.491 -0.616 0.476 301 HE2 PHE 39 HE2 PHE 39 2.324 1.532 3.439 302 HZ PHE 39 HZ PHE 39 3.616 -0.430 2.762 303 H GLU 40 H GLU 40 4.242 4.779 -3.490 304 HA GLU 40 HA GLU 40 3.340 7.600 -3.388 305 HB2 GLU 40 HB2 GLU 40 5.609 6.454 -5.071 306 HB3 GLU 40 HB3 GLU 40 5.063 8.132 -5.065 307 HG2 GLU 40 HG2 GLU 40 5.765 8.343 -2.695 308 HG3 GLU 40 HG3 GLU 40 6.327 6.673 -2.715 309 H ASP 41 H ASP 41 2.292 8.385 -5.243 310 HA ASP 41 HA ASP 41 0.704 8.372 -6.836 311 HB2 ASP 41 HB2 ASP 41 2.656 7.732 -8.262 312 HB3 ASP 41 HB3 ASP 41 2.297 6.033 -7.975 313 H VAL 42 H VAL 42 -0.032 7.151 -4.506 314 HA VAL 42 HA VAL 42 -1.085 4.524 -4.761 315 HB VAL 42 HB VAL 42 -1.812 6.662 -2.717 316 HG11 VAL 42 HG11 VAL 42 -3.485 4.856 -2.746 317 HG12 VAL 42 HG12 VAL 42 -2.521 4.777 -1.271 318 HG13 VAL 42 HG13 VAL 42 -2.207 3.644 -2.590 319 HG21 VAL 42 HG21 VAL 42 -0.138 5.596 -1.262 320 HG22 VAL 42 HG22 VAL 42 0.605 6.204 -2.742 321 HG23 VAL 42 HG23 VAL 42 0.295 4.474 -2.556 322 H GLN 43 H GLN 43 -2.854 3.908 -5.748 323 HA GLN 43 HA GLN 43 -5.066 5.736 -6.413 324 HB2 GLN 43 HB2 GLN 43 -3.827 3.631 -8.248 325 HB3 GLN 43 HB3 GLN 43 -5.241 4.615 -8.624 326 HG2 GLN 43 HG2 GLN 43 -3.767 6.652 -8.450 327 HG3 GLN 43 HG3 GLN 43 -2.384 5.575 -8.276 328 HE21 GLN 43 HE21 GLN 43 -1.420 6.354 -10.145 329 HE22 GLN 43 HE22 GLN 43 -2.034 6.013 -11.724 330 H THR 44 H THR 44 -6.984 4.249 -7.236 331 HA THR 44 HA THR 44 -7.410 2.207 -5.160 332 HB THR 44 HB THR 44 -9.406 3.251 -7.186 333 HG1 THR 44 HG1 THR 44 -8.258 4.779 -5.528 334 HG21 THR 44 HG21 THR 44 -10.115 1.199 -6.013 335 HG22 THR 44 HG22 THR 44 -11.094 2.580 -5.526 336 HG23 THR 44 HG23 THR 44 -9.821 2.000 -4.457 337 H SER 45 H SER 45 -7.646 0.052 -5.626 338 HA SER 45 HA SER 45 -7.043 -0.927 -8.329 339 HB2 SER 45 HB2 SER 45 -7.387 -2.487 -5.728 340 HB3 SER 45 HB3 SER 45 -6.696 -3.092 -7.238 341 HG SER 45 HG SER 45 -4.853 -2.318 -6.588 342 H ARG 46 H ARG 46 -8.329 -2.927 -9.051 343 HA ARG 46 HA ARG 46 -11.169 -2.430 -9.035 344 HB2 ARG 46 HB2 ARG 46 -11.349 -4.488 -10.408 345 HB3 ARG 46 HB3 ARG 46 -10.156 -3.361 -11.047 346 HG2 ARG 46 HG2 ARG 46 -8.335 -4.710 -10.265 347 HG3 ARG 46 HG3 ARG 46 -9.412 -5.745 -9.329 348 HD2 ARG 46 HD2 ARG 46 -9.408 -5.529 -12.357 349 HD3 ARG 46 HD3 ARG 46 -8.615 -6.806 -11.430 350 HE ARG 46 HE ARG 46 -11.410 -6.589 -12.050 351 HH11 ARG 46 HH11 ARG 46 -9.157 -7.927 -9.685 352 HH12 ARG 46 HH12 ARG 46 -10.264 -9.154 -9.158 353 HH21 ARG 46 HH21 ARG 46 -12.845 -8.193 -11.327 354 HH22 ARG 46 HH22 ARG 46 -12.351 -9.307 -10.094 355 H GLU 47 H GLU 47 -8.956 -4.427 -7.233 356 HA GLU 47 HA GLU 47 -10.805 -6.136 -5.905 357 HB2 GLU 47 HB2 GLU 47 -8.024 -5.153 -5.115 358 HB3 GLU 47 HB3 GLU 47 -8.934 -6.325 -4.180 359 HG2 GLU 47 HG2 GLU 47 -7.312 -7.494 -5.457 360 HG3 GLU 47 HG3 GLU 47 -8.908 -7.866 -6.107 361 HA PRO 48 HA PRO 48 -12.715 -2.709 -3.510 362 HB2 PRO 48 HB2 PRO 48 -13.905 -5.041 -2.007 363 HB3 PRO 48 HB3 PRO 48 -14.710 -3.633 -2.737 364 HG2 PRO 48 HG2 PRO 48 -14.887 -6.000 -3.910 365 HG3 PRO 48 HG3 PRO 48 -14.650 -4.532 -4.890 366 HD2 PRO 48 HD2 PRO 48 -12.607 -6.606 -4.086 367 HD3 PRO 48 HD3 PRO 48 -12.835 -5.804 -5.660 368 H GLY 49 H GLY 49 -11.419 -1.675 -2.101 369 HA2 GLY 49 HA2 GLY 49 -10.678 -1.152 0.060 370 HA3 GLY 49 HA3 GLY 49 -10.805 -2.839 0.529 371 H TRP 50 H TRP 50 -9.202 -2.510 -2.441 372 HA TRP 50 HA TRP 50 -6.520 -2.535 -1.161 373 HB2 TRP 50 HB2 TRP 50 -7.501 -3.960 -3.676 374 HB3 TRP 50 HB3 TRP 50 -5.798 -3.824 -3.241 375 HD1 TRP 50 HD1 TRP 50 -9.055 -5.473 -1.936 376 HE1 TRP 50 HE1 TRP 50 -8.407 -7.410 -0.369 377 HE3 TRP 50 HE3 TRP 50 -3.994 -4.863 -1.942 378 HZ2 TRP 50 HZ2 TRP 50 -6.058 -8.540 0.704 379 HZ3 TRP 50 HZ3 TRP 50 -2.607 -6.419 -0.635 380 HH2 TRP 50 HH2 TRP 50 -3.621 -8.220 0.667 381 H LEU 51 H LEU 51 -4.822 -1.494 -2.276 382 HA LEU 51 HA LEU 51 -5.615 0.677 -4.140 383 HB2 LEU 51 HB2 LEU 51 -3.720 0.898 -1.756 384 HB3 LEU 51 HB3 LEU 51 -4.054 2.185 -2.908 385 HG LEU 51 HG LEU 51 -6.045 0.997 -0.927 386 HD11 LEU 51 HD11 LEU 51 -4.739 3.733 -0.940 387 HD12 LEU 51 HD12 LEU 51 -4.375 2.405 0.167 388 HD13 LEU 51 HD13 LEU 51 -5.965 3.160 0.198 389 HD21 LEU 51 HD21 LEU 51 -7.593 2.761 -1.644 390 HD22 LEU 51 HD22 LEU 51 -7.206 1.669 -2.971 391 HD23 LEU 51 HD23 LEU 51 -6.460 3.268 -2.902 392 H GLU 52 H GLU 52 -3.930 1.332 -5.626 393 HA GLU 52 HA GLU 52 -1.663 -0.526 -5.916 394 HB2 GLU 52 HB2 GLU 52 -3.061 1.337 -7.875 395 HB3 GLU 52 HB3 GLU 52 -1.499 0.597 -8.236 396 HG2 GLU 52 HG2 GLU 52 -4.029 -0.932 -7.585 397 HG3 GLU 52 HG3 GLU 52 -3.430 -0.620 -9.216 398 H GLY 53 H GLY 53 0.274 0.210 -5.362 399 HA2 GLY 53 HA2 GLY 53 0.926 3.083 -5.344 400 HA3 GLY 53 HA3 GLY 53 0.843 2.292 -3.770 401 H THR 54 H THR 54 3.127 3.473 -4.964 402 HA THR 54 HA THR 54 4.792 1.278 -5.974 403 HB THR 54 HB THR 54 5.458 4.261 -5.935 404 HG1 THR 54 HG1 THR 54 3.667 4.115 -7.216 405 HG21 THR 54 HG21 THR 54 7.393 2.730 -6.260 406 HG22 THR 54 HG22 THR 54 7.057 3.663 -7.719 407 HG23 THR 54 HG23 THR 54 6.557 1.974 -7.620 408 H LEU 55 H LEU 55 6.226 0.387 -4.606 409 HA LEU 55 HA LEU 55 7.138 1.841 -2.186 410 HB2 LEU 55 HB2 LEU 55 5.667 -0.046 -1.600 411 HB3 LEU 55 HB3 LEU 55 6.614 -1.135 -2.597 412 HG LEU 55 HG LEU 55 8.569 -0.836 -1.046 413 HD11 LEU 55 HD11 LEU 55 8.258 0.264 1.129 414 HD12 LEU 55 HD12 LEU 55 6.661 0.818 0.622 415 HD13 LEU 55 HD13 LEU 55 8.104 1.390 -0.217 416 HD21 LEU 55 HD21 LEU 55 7.048 -2.733 -0.728 417 HD22 LEU 55 HD22 LEU 55 6.043 -1.766 0.357 418 HD23 LEU 55 HD23 LEU 55 7.703 -2.171 0.809 419 H ASN 56 H ASN 56 9.094 2.571 -2.802 420 HA ASN 56 HA ASN 56 11.297 2.651 -3.309 421 HB2 ASN 56 HB2 ASN 56 11.243 -0.381 -3.027 422 HB3 ASN 56 HB3 ASN 56 12.694 0.611 -3.033 423 HD21 ASN 56 HD21 ASN 56 11.479 -1.215 -1.004 424 HD22 ASN 56 HD22 ASN 56 11.383 -0.290 0.451 425 H GLY 57 H GLY 57 9.128 1.816 -5.478 426 HA2 GLY 57 HA2 GLY 57 9.731 2.077 -7.872 427 HA3 GLY 57 HA3 GLY 57 10.987 0.879 -7.613 428 H LYS 58 H LYS 58 9.000 -0.571 -5.792 429 HA LYS 58 HA LYS 58 7.842 -2.260 -7.895 430 HB2 LYS 58 HB2 LYS 58 9.264 -3.213 -6.040 431 HB3 LYS 58 HB3 LYS 58 8.016 -2.743 -4.903 432 HG2 LYS 58 HG2 LYS 58 6.403 -4.211 -6.165 433 HG3 LYS 58 HG3 LYS 58 7.768 -4.790 -7.126 434 HD2 LYS 58 HD2 LYS 58 8.836 -5.697 -5.109 435 HD3 LYS 58 HD3 LYS 58 7.550 -5.028 -4.098 436 HE2 LYS 58 HE2 LYS 58 5.920 -6.492 -5.365 437 HE3 LYS 58 HE3 LYS 58 7.313 -7.262 -6.139 438 HZ1 LYS 58 HZ1 LYS 58 6.581 -8.519 -4.236 439 HZ2 LYS 58 HZ2 LYS 58 6.743 -7.173 -3.227 440 HZ3 LYS 58 HZ3 LYS 58 8.111 -7.873 -3.930 441 H ARG 59 H ARG 59 5.735 -1.967 -8.424 442 HA ARG 59 HA ARG 59 3.866 -0.678 -6.502 443 HB2 ARG 59 HB2 ARG 59 4.324 0.652 -8.494 444 HB3 ARG 59 HB3 ARG 59 3.896 -0.695 -9.542 445 HG2 ARG 59 HG2 ARG 59 1.541 -0.547 -8.741 446 HG3 ARG 59 HG3 ARG 59 1.995 0.819 -7.708 447 HD2 ARG 59 HD2 ARG 59 2.153 0.724 -10.741 448 HD3 ARG 59 HD3 ARG 59 0.964 1.616 -9.782 449 HE ARG 59 HE ARG 59 3.584 2.401 -9.045 450 HH11 ARG 59 HH11 ARG 59 1.346 2.803 -11.718 451 HH12 ARG 59 HH12 ARG 59 2.022 4.322 -12.200 452 HH21 ARG 59 HH21 ARG 59 4.451 4.382 -9.680 453 HH22 ARG 59 HH22 ARG 59 3.787 5.222 -11.045 454 H GLY 60 H GLY 60 1.923 -1.635 -6.040 455 HA2 GLY 60 HA2 GLY 60 0.618 -3.642 -7.537 456 HA3 GLY 60 HA3 GLY 60 1.629 -4.425 -6.324 457 H LEU 61 H LEU 61 -0.425 -5.258 -5.610 458 HA LEU 61 HA LEU 61 -2.538 -3.650 -4.610 459 HB2 LEU 61 HB2 LEU 61 -1.840 -6.591 -4.494 460 HB3 LEU 61 HB3 LEU 61 -3.198 -5.978 -3.569 461 HG LEU 61 HG LEU 61 -2.944 -5.673 -6.577 462 HD11 LEU 61 HD11 LEU 61 -4.606 -7.448 -6.798 463 HD12 LEU 61 HD12 LEU 61 -4.578 -7.720 -5.053 464 HD13 LEU 61 HD13 LEU 61 -3.140 -8.051 -6.025 465 HD21 LEU 61 HD21 LEU 61 -5.329 -5.076 -6.452 466 HD22 LEU 61 HD22 LEU 61 -4.320 -3.953 -5.548 467 HD23 LEU 61 HD23 LEU 61 -5.263 -5.180 -4.690 468 H ILE 62 H ILE 62 -2.571 -2.606 -2.778 469 HA ILE 62 HA ILE 62 -0.974 -3.441 -0.437 470 HB ILE 62 HB ILE 62 -1.823 -0.612 -1.238 471 HG12 ILE 62 HG12 ILE 62 0.950 -1.884 -1.427 472 HG13 ILE 62 HG13 ILE 62 -0.104 -1.526 -2.791 473 HG21 ILE 62 HG21 ILE 62 0.036 -1.517 0.992 474 HG22 ILE 62 HG22 ILE 62 -1.604 -0.899 1.202 475 HG23 ILE 62 HG23 ILE 62 -0.340 0.157 0.571 476 HD11 ILE 62 HD11 ILE 62 1.130 0.493 -0.930 477 HD12 ILE 62 HD12 ILE 62 0.046 0.854 -2.277 478 HD13 ILE 62 HD13 ILE 62 1.622 0.129 -2.584 479 HA PRO 63 HA PRO 63 -5.109 -3.585 1.492 480 HB2 PRO 63 HB2 PRO 63 -3.641 -3.800 4.081 481 HB3 PRO 63 HB3 PRO 63 -4.769 -4.952 3.336 482 HG2 PRO 63 HG2 PRO 63 -2.128 -5.467 3.496 483 HG3 PRO 63 HG3 PRO 63 -3.121 -6.022 2.129 484 HD2 PRO 63 HD2 PRO 63 -1.245 -3.666 2.254 485 HD3 PRO 63 HD3 PRO 63 -1.489 -4.848 0.945 486 H GLN 64 H GLN 64 -6.088 -1.707 1.548 487 HA GLN 64 HA GLN 64 -5.113 0.850 2.007 488 HB2 GLN 64 HB2 GLN 64 -7.138 0.404 0.770 489 HB3 GLN 64 HB3 GLN 64 -7.915 -0.320 2.174 490 HG2 GLN 64 HG2 GLN 64 -8.018 1.876 3.270 491 HG3 GLN 64 HG3 GLN 64 -7.184 2.612 1.896 492 HE21 GLN 64 HE21 GLN 64 -8.966 3.999 1.540 493 HE22 GLN 64 HE22 GLN 64 -10.441 3.427 0.846 494 H ASN 65 H ASN 65 -6.636 -1.389 4.263 495 HA ASN 65 HA ASN 65 -7.066 0.309 6.479 496 HB2 ASN 65 HB2 ASN 65 -8.193 -1.889 6.135 497 HB3 ASN 65 HB3 ASN 65 -6.662 -2.717 6.398 498 HD21 ASN 65 HD21 ASN 65 -7.469 -3.871 8.146 499 HD22 ASN 65 HD22 ASN 65 -7.803 -3.146 9.675 500 H TYR 66 H TYR 66 -4.231 -1.423 5.366 501 HA TYR 66 HA TYR 66 -2.811 -1.209 7.913 502 HB2 TYR 66 HB2 TYR 66 -1.962 -2.406 5.247 503 HB3 TYR 66 HB3 TYR 66 -0.975 -2.430 6.707 504 HD1 TYR 66 HD2 TYR 66 -4.165 -2.892 8.026 505 HD2 TYR 66 HD1 TYR 66 -1.307 -4.964 5.604 506 HE1 TYR 66 HE2 TYR 66 -5.177 -5.030 8.649 507 HE2 TYR 66 HE1 TYR 66 -2.326 -7.100 6.236 508 HH TYR 66 HH TYR 66 -3.687 -8.012 8.075 509 H VAL 67 H VAL 67 -3.337 0.871 5.379 510 HA VAL 67 HA VAL 67 -0.804 2.333 5.884 511 HB VAL 67 HB VAL 67 -0.764 3.146 3.597 512 HG11 VAL 67 HG11 VAL 67 -1.084 0.127 3.617 513 HG12 VAL 67 HG12 VAL 67 0.371 1.019 4.074 514 HG13 VAL 67 HG13 VAL 67 -0.213 1.081 2.411 515 HG21 VAL 67 HG21 VAL 67 -3.171 3.244 3.096 516 HG22 VAL 67 HG22 VAL 67 -3.266 1.482 3.068 517 HG23 VAL 67 HG23 VAL 67 -2.323 2.338 1.840 518 H LYS 68 H LYS 68 -0.982 4.672 5.433 519 HA LYS 68 HA LYS 68 -3.667 5.834 5.801 520 HB2 LYS 68 HB2 LYS 68 -2.458 5.611 8.035 521 HB3 LYS 68 HB3 LYS 68 -1.211 6.691 7.410 522 HG2 LYS 68 HG2 LYS 68 -2.929 8.456 7.111 523 HG3 LYS 68 HG3 LYS 68 -4.143 7.364 7.787 524 HD2 LYS 68 HD2 LYS 68 -3.016 7.370 9.952 525 HD3 LYS 68 HD3 LYS 68 -1.667 8.305 9.295 526 HE2 LYS 68 HE2 LYS 68 -3.177 10.212 8.895 527 HE3 LYS 68 HE3 LYS 68 -4.540 9.280 9.516 528 HZ1 LYS 68 HZ1 LYS 68 -2.135 10.071 11.072 529 HZ2 LYS 68 HZ2 LYS 68 -3.452 9.194 11.665 530 HZ3 LYS 68 HZ3 LYS 68 -3.658 10.797 11.175 531 H LEU 69 H LEU 69 -3.994 7.276 4.254 532 HA LEU 69 HA LEU 69 -2.112 7.782 2.238 533 HB2 LEU 69 HB2 LEU 69 -4.783 9.135 2.755 534 HB3 LEU 69 HB3 LEU 69 -3.866 9.262 1.259 535 HG LEU 69 HG LEU 69 -5.082 6.698 2.380 536 HD11 LEU 69 HD11 LEU 69 -6.790 8.233 1.537 537 HD12 LEU 69 HD12 LEU 69 -6.648 6.803 0.516 538 HD13 LEU 69 HD13 LEU 69 -5.952 8.337 -0.017 539 HD21 LEU 69 HD21 LEU 69 -4.452 5.657 0.239 540 HD22 LEU 69 HD22 LEU 69 -3.039 6.197 1.140 541 HD23 LEU 69 HD23 LEU 69 -3.612 7.135 -0.242 542 H LEU 70 H LEU 70 -0.375 9.012 2.495 543 HA LEU 70 HA LEU 70 -0.164 11.405 4.048 544 HB2 LEU 70 HB2 LEU 70 1.630 10.351 1.821 545 HB3 LEU 70 HB3 LEU 70 2.044 11.665 2.910 546 HG LEU 70 HG LEU 70 1.621 8.763 3.741 547 HD11 LEU 70 HD11 LEU 70 3.633 8.988 2.395 548 HD12 LEU 70 HD12 LEU 70 4.051 8.685 4.078 549 HD13 LEU 70 HD13 LEU 70 4.205 10.315 3.412 550 HD21 LEU 70 HD21 LEU 70 2.567 9.454 5.911 551 HD22 LEU 70 HD22 LEU 70 1.050 10.274 5.561 552 HD23 LEU 70 HD23 LEU 70 2.579 11.138 5.373 Start of MODEL 10 1 H1 MET 1 H1 MET 1 1.379 27.265 -5.324 2 H2 MET 1 H2 MET 1 0.263 26.037 -4.990 3 H3 MET 1 H3 MET 1 0.019 27.593 -4.384 4 HA MET 1 HA MET 1 0.018 26.827 -7.236 5 HB2 MET 1 HB2 MET 1 -1.960 26.019 -5.933 6 HB3 MET 1 HB3 MET 1 -2.285 27.661 -5.408 7 HG2 MET 1 HG2 MET 1 -2.730 28.306 -7.744 8 HG3 MET 1 HG3 MET 1 -2.410 26.647 -8.253 9 HE1 MET 1 HE1 MET 1 -3.756 25.027 -5.752 10 HE2 MET 1 HE2 MET 1 -3.932 24.543 -7.440 11 HE3 MET 1 HE3 MET 1 -5.359 24.730 -6.424 12 H GLY 2 H GLY 2 -1.141 29.405 -5.023 13 HA2 GLY 2 HA2 GLY 2 -1.109 31.392 -7.089 14 HA3 GLY 2 HA3 GLY 2 -1.507 31.634 -5.401 15 H HIS 3 H HIS 3 0.331 31.769 -3.880 16 HA HIS 3 HA HIS 3 2.079 33.825 -4.874 17 HB2 HIS 3 HB2 HIS 3 1.872 32.676 -2.053 18 HB3 HIS 3 HB3 HIS 3 2.695 34.165 -2.511 19 HD1 HIS 3 HD1 HIS 3 -0.097 33.467 -0.706 20 HD2 HIS 3 HD2 HIS 3 0.398 35.693 -4.182 21 HE1 HIS 3 HE1 HIS 3 -2.091 34.993 -0.822 22 HE2 HIS 3 HE2 HIS 3 -1.653 36.453 -2.826 23 H HIS 4 H HIS 4 3.231 32.492 -6.298 24 HA HIS 4 HA HIS 4 5.854 31.976 -5.832 25 HB2 HIS 4 HB2 HIS 4 4.196 29.464 -5.384 26 HB3 HIS 4 HB3 HIS 4 5.714 29.303 -6.260 27 HD1 HIS 4 HD1 HIS 4 4.532 28.803 -3.019 28 HD2 HIS 4 HD2 HIS 4 7.896 30.692 -4.556 29 HE1 HIS 4 HE1 HIS 4 6.185 28.881 -1.132 30 HE2 HIS 4 HE2 HIS 4 8.152 30.146 -2.048 31 H HIS 5 H HIS 5 2.995 30.707 -7.499 32 HA HIS 5 HA HIS 5 2.503 30.100 -9.595 33 HB2 HIS 5 HB2 HIS 5 4.409 32.357 -10.360 34 HB3 HIS 5 HB3 HIS 5 3.320 31.555 -11.482 35 HD1 HIS 5 HD1 HIS 5 0.900 32.308 -11.509 36 HD2 HIS 5 HD2 HIS 5 3.109 34.066 -8.477 37 HE1 HIS 5 HE1 HIS 5 -0.586 34.088 -10.551 38 HE2 HIS 5 HE2 HIS 5 0.706 34.987 -8.597 39 H HIS 6 H HIS 6 5.797 30.948 -10.550 40 HA HIS 6 HA HIS 6 7.462 29.877 -11.582 41 HB2 HIS 6 HB2 HIS 6 7.644 28.912 -9.240 42 HB3 HIS 6 HB3 HIS 6 6.770 27.497 -9.810 43 HD1 HIS 6 HD1 HIS 6 10.113 28.812 -9.425 44 HD2 HIS 6 HD2 HIS 6 8.268 26.036 -11.900 45 HE1 HIS 6 HE1 HIS 6 11.966 27.398 -10.342 46 HE2 HIS 6 HE2 HIS 6 10.798 25.615 -11.678 47 H HIS 7 H HIS 7 5.503 26.939 -11.129 48 HA HIS 7 HA HIS 7 5.225 26.623 -14.072 49 HB2 HIS 7 HB2 HIS 7 6.470 24.802 -13.029 50 HB3 HIS 7 HB3 HIS 7 5.243 24.598 -11.792 51 HD1 HIS 7 HD1 HIS 7 6.268 23.336 -15.080 52 HD2 HIS 7 HD2 HIS 7 2.791 23.374 -12.792 53 HE1 HIS 7 HE1 HIS 7 4.817 21.499 -16.006 54 HE2 HIS 7 HE2 HIS 7 2.698 21.594 -14.656 55 H HIS 8 H HIS 8 3.607 26.440 -10.937 56 HA HIS 8 HA HIS 8 1.603 27.053 -10.166 57 HB2 HIS 8 HB2 HIS 8 1.567 28.943 -11.685 58 HB3 HIS 8 HB3 HIS 8 1.012 27.929 -13.011 59 HD1 HIS 8 HD1 HIS 8 -1.468 27.660 -13.281 60 HD2 HIS 8 HD2 HIS 8 -0.474 29.372 -9.628 61 HE1 HIS 8 HE1 HIS 8 -3.632 28.439 -12.289 62 HE2 HIS 8 HE2 HIS 8 -3.024 29.322 -10.017 63 H SER 9 H SER 9 0.989 25.567 -13.351 64 HA SER 9 HA SER 9 -1.404 24.257 -12.499 65 HB2 SER 9 HB2 SER 9 0.196 23.731 -15.038 66 HB3 SER 9 HB3 SER 9 -1.534 23.483 -14.780 67 HG SER 9 HG SER 9 -1.430 25.387 -15.814 68 H HIS 10 H HIS 10 -0.515 23.081 -10.664 69 HA HIS 10 HA HIS 10 0.262 20.395 -11.418 70 HB2 HIS 10 HB2 HIS 10 2.171 20.176 -9.976 71 HB3 HIS 10 HB3 HIS 10 2.448 21.587 -10.977 72 HD1 HIS 10 HD1 HIS 10 2.817 20.468 -7.671 73 HD2 HIS 10 HD2 HIS 10 1.768 24.087 -9.375 74 HE1 HIS 10 HE1 HIS 10 3.121 22.159 -5.856 75 HE2 HIS 10 HE2 HIS 10 2.228 24.283 -6.844 76 H MET 11 H MET 11 -1.761 19.840 -10.877 77 HA MET 11 HA MET 11 -3.041 20.394 -8.368 78 HB2 MET 11 HB2 MET 11 -3.668 18.238 -10.439 79 HB3 MET 11 HB3 MET 11 -4.741 18.785 -9.153 80 HG2 MET 11 HG2 MET 11 -5.448 19.768 -11.242 81 HG3 MET 11 HG3 MET 11 -4.802 21.044 -10.211 82 HE1 MET 11 HE1 MET 11 -5.188 21.774 -13.231 83 HE2 MET 11 HE2 MET 11 -3.618 22.480 -13.624 84 HE3 MET 11 HE3 MET 11 -4.371 22.824 -12.070 85 H ILE 12 H ILE 12 -3.682 18.562 -6.845 86 HA ILE 12 HA ILE 12 -1.310 17.147 -6.015 87 HB ILE 12 HB ILE 12 -4.109 16.948 -4.796 88 HG12 ILE 12 HG12 ILE 12 -3.342 19.300 -4.791 89 HG13 ILE 12 HG13 ILE 12 -3.356 18.659 -3.154 90 HG21 ILE 12 HG21 ILE 12 -2.935 16.199 -2.741 91 HG22 ILE 12 HG22 ILE 12 -1.393 16.242 -3.599 92 HG23 ILE 12 HG23 ILE 12 -2.644 15.097 -4.089 93 HD11 ILE 12 HD11 ILE 12 -1.414 20.049 -3.522 94 HD12 ILE 12 HD12 ILE 12 -0.916 19.060 -4.892 95 HD13 ILE 12 HD13 ILE 12 -0.908 18.380 -3.262 96 H ARG 13 H ARG 13 -1.095 15.941 -7.960 97 HA ARG 13 HA ARG 13 -2.786 13.571 -8.336 98 HB2 ARG 13 HB2 ARG 13 -1.674 13.272 -10.448 99 HB3 ARG 13 HB3 ARG 13 -2.073 14.980 -10.335 100 HG2 ARG 13 HG2 ARG 13 0.261 15.512 -9.770 101 HG3 ARG 13 HG3 ARG 13 0.673 13.797 -9.787 102 HD2 ARG 13 HD2 ARG 13 0.080 13.706 -12.207 103 HD3 ARG 13 HD3 ARG 13 -0.246 15.444 -12.172 104 HE ARG 13 HE ARG 13 2.337 15.046 -11.186 105 HH11 ARG 13 HH11 ARG 13 0.677 14.674 -14.268 106 HH12 ARG 13 HH12 ARG 13 2.117 14.920 -15.199 107 HH21 ARG 13 HH21 ARG 13 4.217 15.335 -12.437 108 HH22 ARG 13 HH22 ARG 13 4.110 15.293 -14.169 109 H SER 14 H SER 14 -1.731 11.457 -8.404 110 HA SER 14 HA SER 14 -0.549 9.793 -7.460 111 HB2 SER 14 HB2 SER 14 1.791 11.728 -7.777 112 HB3 SER 14 HB3 SER 14 1.935 9.994 -7.458 113 HG SER 14 HG SER 14 0.687 9.705 -9.446 114 H ARG 15 H ARG 15 -1.553 9.666 -5.437 115 HA ARG 15 HA ARG 15 -0.884 11.339 -3.204 116 HB2 ARG 15 HB2 ARG 15 -2.497 8.766 -3.513 117 HB3 ARG 15 HB3 ARG 15 -2.216 9.485 -1.931 118 HG2 ARG 15 HG2 ARG 15 -3.628 10.852 -4.247 119 HG3 ARG 15 HG3 ARG 15 -4.419 10.094 -2.863 120 HD2 ARG 15 HD2 ARG 15 -3.251 11.705 -1.358 121 HD3 ARG 15 HD3 ARG 15 -2.546 12.483 -2.777 122 HE ARG 15 HE ARG 15 -5.266 12.539 -3.194 123 HH11 ARG 15 HH11 ARG 15 -3.055 13.779 -0.736 124 HH12 ARG 15 HH12 ARG 15 -4.062 15.135 -0.334 125 HH21 ARG 15 HH21 ARG 15 -6.581 14.333 -2.655 126 HH22 ARG 15 HH22 ARG 15 -6.066 15.445 -1.428 127 H LYS 16 H LYS 16 0.106 10.617 -1.240 128 HA LYS 16 HA LYS 16 1.976 8.333 -1.470 129 HB2 LYS 16 HB2 LYS 16 1.992 10.845 0.235 130 HB3 LYS 16 HB3 LYS 16 2.836 9.410 0.800 131 HG2 LYS 16 HG2 LYS 16 4.258 9.439 -1.222 132 HG3 LYS 16 HG3 LYS 16 3.426 10.895 -1.788 133 HD2 LYS 16 HD2 LYS 16 4.265 12.202 0.048 134 HD3 LYS 16 HD3 LYS 16 4.829 10.771 0.912 135 HE2 LYS 16 HE2 LYS 16 6.661 12.107 -0.135 136 HE3 LYS 16 HE3 LYS 16 6.612 10.435 -0.696 137 HZ1 LYS 16 HZ1 LYS 16 5.440 12.725 -2.172 138 HZ2 LYS 16 HZ2 LYS 16 5.610 11.129 -2.724 139 HZ3 LYS 16 HZ3 LYS 16 6.973 12.093 -2.465 140 H ALA 17 H ALA 17 2.153 7.022 0.512 141 HA ALA 17 HA ALA 17 0.068 7.221 2.546 142 HB1 ALA 17 HB1 ALA 17 -0.978 5.733 0.855 143 HB2 ALA 17 HB2 ALA 17 -0.617 4.856 2.343 144 HB3 ALA 17 HB3 ALA 17 0.420 4.656 0.926 145 H ARG 18 H ARG 18 0.861 6.571 4.489 146 HA ARG 18 HA ARG 18 3.534 5.315 4.622 147 HB2 ARG 18 HB2 ARG 18 3.255 7.500 5.782 148 HB3 ARG 18 HB3 ARG 18 1.929 6.839 6.735 149 HG2 ARG 18 HG2 ARG 18 3.527 5.223 7.775 150 HG3 ARG 18 HG3 ARG 18 4.837 5.961 6.846 151 HD2 ARG 18 HD2 ARG 18 4.389 8.130 7.968 152 HD3 ARG 18 HD3 ARG 18 3.104 7.362 8.903 153 HE ARG 18 HE ARG 18 5.831 6.291 9.132 154 HH11 ARG 18 HH11 ARG 18 3.179 8.079 10.607 155 HH12 ARG 18 HH12 ARG 18 3.847 8.004 12.206 156 HH21 ARG 18 HH21 ARG 18 6.751 6.257 11.232 157 HH22 ARG 18 HH22 ARG 18 5.881 6.965 12.557 158 H ALA 19 H ALA 19 3.545 3.223 5.095 159 HA ALA 19 HA ALA 19 1.375 1.652 5.907 160 HB1 ALA 19 HB1 ALA 19 3.396 0.702 4.874 161 HB2 ALA 19 HB2 ALA 19 3.091 -0.063 6.435 162 HB3 ALA 19 HB3 ALA 19 4.356 1.162 6.285 163 H VAL 20 H VAL 20 0.327 1.813 7.778 164 HA VAL 20 HA VAL 20 1.723 2.628 10.270 165 HB VAL 20 HB VAL 20 -0.576 3.274 11.096 166 HG11 VAL 20 HG11 VAL 20 0.959 4.986 10.194 167 HG12 VAL 20 HG12 VAL 20 -0.717 5.383 9.824 168 HG13 VAL 20 HG13 VAL 20 0.328 4.719 8.565 169 HG21 VAL 20 HG21 VAL 20 -1.410 2.766 8.209 170 HG22 VAL 20 HG22 VAL 20 -2.416 3.530 9.444 171 HG23 VAL 20 HG23 VAL 20 -1.932 1.844 9.621 172 H TYR 21 H TYR 21 0.299 0.003 8.675 173 HA TYR 21 HA TYR 21 0.732 -1.667 11.057 174 HB2 TYR 21 HB2 TYR 21 -1.583 -2.037 9.089 175 HB3 TYR 21 HB3 TYR 21 -1.194 -3.114 10.420 176 HD1 TYR 21 HD2 TYR 21 -1.335 -2.098 12.834 177 HD2 TYR 21 HD1 TYR 21 -3.142 -0.288 9.414 178 HE1 TYR 21 HE2 TYR 21 -2.849 -0.831 14.301 179 HE2 TYR 21 HE1 TYR 21 -4.650 0.981 10.882 180 HH TYR 21 HH TYR 21 -5.583 0.817 13.152 181 HA PRO 22 HA PRO 22 3.201 -3.735 7.901 182 HB2 PRO 22 HB2 PRO 22 3.886 -6.029 9.192 183 HB3 PRO 22 HB3 PRO 22 4.485 -4.443 9.723 184 HG2 PRO 22 HG2 PRO 22 2.237 -6.075 10.858 185 HG3 PRO 22 HG3 PRO 22 3.523 -5.185 11.706 186 HD2 PRO 22 HD2 PRO 22 0.978 -4.190 11.344 187 HD3 PRO 22 HD3 PRO 22 2.415 -3.166 11.542 188 H CYS 23 H CYS 23 3.091 -5.375 6.327 189 HA CYS 23 HA CYS 23 0.916 -7.342 6.328 190 HB2 CYS 23 HB2 CYS 23 -0.162 -5.470 5.231 191 HB3 CYS 23 HB3 CYS 23 1.259 -5.148 4.242 192 HG CYS 23 HG CYS 23 0.990 -7.441 2.685 193 H GLU 24 H GLU 24 1.338 -9.098 4.953 194 HA GLU 24 HA GLU 24 4.000 -9.163 3.643 195 HB2 GLU 24 HB2 GLU 24 2.421 -11.463 4.876 196 HB3 GLU 24 HB3 GLU 24 3.965 -11.622 4.038 197 HG2 GLU 24 HG2 GLU 24 5.098 -10.327 5.765 198 HG3 GLU 24 HG3 GLU 24 3.561 -9.969 6.549 199 H ALA 25 H ALA 25 4.065 -10.816 1.815 200 HA ALA 25 HA ALA 25 1.617 -10.708 0.155 201 HB1 ALA 25 HB1 ALA 25 2.975 -9.898 -1.741 202 HB2 ALA 25 HB2 ALA 25 4.398 -9.804 -0.698 203 HB3 ALA 25 HB3 ALA 25 3.009 -8.759 -0.395 204 H GLU 26 H GLU 26 1.183 -12.791 -0.234 205 HA GLU 26 HA GLU 26 3.296 -14.783 -0.507 206 HB2 GLU 26 HB2 GLU 26 1.451 -16.425 -0.610 207 HB3 GLU 26 HB3 GLU 26 1.309 -15.376 0.799 208 HG2 GLU 26 HG2 GLU 26 -0.392 -14.023 -0.438 209 HG3 GLU 26 HG3 GLU 26 -0.294 -15.174 -1.769 210 H HIS 27 H HIS 27 0.968 -13.045 -2.533 211 HA HIS 27 HA HIS 27 2.220 -13.422 -5.005 212 HB2 HIS 27 HB2 HIS 27 1.353 -15.879 -4.448 213 HB3 HIS 27 HB3 HIS 27 -0.212 -15.257 -4.934 214 HD2 HIS 27 HD2 HIS 27 3.315 -15.958 -6.492 215 HE1 HIS 27 HE1 HIS 27 0.508 -15.453 -9.605 216 HE2 HIS 27 HE2 HIS 27 2.945 -15.833 -9.048 217 H SER 28 H SER 28 -0.281 -13.474 -6.628 218 HA SER 28 HA SER 28 -2.119 -12.293 -7.229 219 HB2 SER 28 HB2 SER 28 -2.975 -13.051 -4.991 220 HB3 SER 28 HB3 SER 28 -2.357 -11.573 -4.267 221 HG SER 28 HG SER 28 -3.789 -10.418 -5.705 222 H SER 29 H SER 29 0.620 -11.015 -6.992 223 HA SER 29 HA SER 29 1.664 -9.053 -7.437 224 HB2 SER 29 HB2 SER 29 -1.148 -8.100 -8.128 225 HB3 SER 29 HB3 SER 29 0.319 -7.181 -8.456 226 HG SER 29 HG SER 29 0.100 -8.252 -10.281 227 H GLU 30 H GLU 30 0.462 -9.625 -4.734 228 HA GLU 30 HA GLU 30 -0.206 -7.182 -3.430 229 HB2 GLU 30 HB2 GLU 30 0.821 -9.849 -2.355 230 HB3 GLU 30 HB3 GLU 30 0.280 -8.545 -1.321 231 HG2 GLU 30 HG2 GLU 30 -1.975 -8.694 -2.174 232 HG3 GLU 30 HG3 GLU 30 -1.483 -9.863 -3.399 233 H LEU 31 H LEU 31 1.049 -6.022 -1.838 234 HA LEU 31 HA LEU 31 3.984 -6.127 -2.225 235 HB2 LEU 31 HB2 LEU 31 2.219 -3.776 -1.427 236 HB3 LEU 31 HB3 LEU 31 3.973 -3.755 -1.289 237 HG LEU 31 HG LEU 31 2.412 -4.073 -3.867 238 HD11 LEU 31 HD11 LEU 31 2.287 -1.802 -2.985 239 HD12 LEU 31 HD12 LEU 31 3.280 -1.847 -4.434 240 HD13 LEU 31 HD13 LEU 31 4.045 -1.729 -2.845 241 HD21 LEU 31 HD21 LEU 31 4.562 -3.890 -5.026 242 HD22 LEU 31 HD22 LEU 31 4.505 -5.315 -3.992 243 HD23 LEU 31 HD23 LEU 31 5.410 -3.889 -3.475 244 H SER 32 H SER 32 5.194 -6.636 -0.618 245 HA SER 32 HA SER 32 4.140 -7.051 2.090 246 HB2 SER 32 HB2 SER 32 6.461 -8.096 2.439 247 HB3 SER 32 HB3 SER 32 5.435 -8.913 1.258 248 HG SER 32 HG SER 32 7.780 -8.336 0.743 249 H PHE 33 H PHE 33 4.858 -5.828 3.843 250 HA PHE 33 HA PHE 33 6.900 -3.871 3.718 251 HB2 PHE 33 HB2 PHE 33 5.463 -1.830 3.864 252 HB3 PHE 33 HB3 PHE 33 5.385 -2.634 2.311 253 HD1 PHE 33 HD1 PHE 33 3.499 -1.990 5.447 254 HD2 PHE 33 HD2 PHE 33 3.297 -3.449 1.432 255 HE1 PHE 33 HE1 PHE 33 1.043 -1.904 5.539 256 HE2 PHE 33 HE2 PHE 33 0.837 -3.369 1.533 257 HZ PHE 33 HZ PHE 33 -0.288 -2.591 3.587 258 H GLU 34 H GLU 34 6.775 -2.325 5.538 259 HA GLU 34 HA GLU 34 5.687 -3.441 8.048 260 HB2 GLU 34 HB2 GLU 34 8.550 -2.449 7.589 261 HB3 GLU 34 HB3 GLU 34 7.892 -2.986 9.132 262 HG2 GLU 34 HG2 GLU 34 7.698 -5.269 8.318 263 HG3 GLU 34 HG3 GLU 34 8.169 -4.778 6.693 264 H ILE 35 H ILE 35 5.797 -1.719 9.817 265 HA ILE 35 HA ILE 35 4.398 0.576 9.008 266 HB ILE 35 HB ILE 35 5.805 0.113 11.678 267 HG12 ILE 35 HG12 ILE 35 2.918 -0.440 10.844 268 HG13 ILE 35 HG13 ILE 35 4.154 -1.658 11.132 269 HG21 ILE 35 HG21 ILE 35 5.283 2.505 11.375 270 HG22 ILE 35 HG22 ILE 35 4.231 1.812 12.608 271 HG23 ILE 35 HG23 ILE 35 3.606 2.112 10.984 272 HD11 ILE 35 HD11 ILE 35 2.987 0.198 13.209 273 HD12 ILE 35 HD12 ILE 35 4.249 -1.005 13.495 274 HD13 ILE 35 HD13 ILE 35 2.636 -1.519 13.003 275 H GLY 36 H GLY 36 5.212 2.160 7.832 276 HA2 GLY 36 HA2 GLY 36 6.483 4.321 8.224 277 HA3 GLY 36 HA3 GLY 36 7.902 3.295 8.403 278 H ALA 37 H ALA 37 6.413 1.609 6.187 279 HA ALA 37 HA ALA 37 7.987 2.403 4.012 280 HB1 ALA 37 HB1 ALA 37 5.523 0.604 4.018 281 HB2 ALA 37 HB2 ALA 37 7.190 0.086 4.282 282 HB3 ALA 37 HB3 ALA 37 6.711 0.729 2.714 283 H ILE 38 H ILE 38 7.717 4.319 3.061 284 HA ILE 38 HA ILE 38 5.111 5.500 2.552 285 HB ILE 38 HB ILE 38 7.805 6.465 1.477 286 HG12 ILE 38 HG12 ILE 38 7.933 6.355 3.931 287 HG13 ILE 38 HG13 ILE 38 7.857 8.033 3.416 288 HG21 ILE 38 HG21 ILE 38 5.154 7.928 1.839 289 HG22 ILE 38 HG22 ILE 38 5.880 7.437 0.305 290 HG23 ILE 38 HG23 ILE 38 6.669 8.661 1.297 291 HD11 ILE 38 HD11 ILE 38 5.590 6.416 4.585 292 HD12 ILE 38 HD12 ILE 38 5.475 8.095 4.055 293 HD13 ILE 38 HD13 ILE 38 6.527 7.664 5.401 294 H PHE 39 H PHE 39 3.993 5.442 0.679 295 HA PHE 39 HA PHE 39 5.063 3.873 -1.595 296 HB2 PHE 39 HB2 PHE 39 2.126 4.228 -0.814 297 HB3 PHE 39 HB3 PHE 39 2.774 3.156 -2.053 298 HD1 PHE 39 HD1 PHE 39 4.011 1.087 -1.396 299 HD2 PHE 39 HD2 PHE 39 2.132 3.589 1.514 300 HE1 PHE 39 HE1 PHE 39 4.168 -0.713 0.276 301 HE2 PHE 39 HE2 PHE 39 2.299 1.788 3.174 302 HZ PHE 39 HZ PHE 39 3.317 -0.357 2.559 303 H GLU 40 H GLU 40 5.012 4.833 -3.589 304 HA GLU 40 HA GLU 40 4.040 7.606 -3.774 305 HB2 GLU 40 HB2 GLU 40 5.868 6.055 -5.663 306 HB3 GLU 40 HB3 GLU 40 5.440 7.758 -5.798 307 HG2 GLU 40 HG2 GLU 40 7.045 6.471 -3.589 308 HG3 GLU 40 HG3 GLU 40 7.667 7.512 -4.865 309 H ASP 41 H ASP 41 2.541 8.233 -5.243 310 HA ASP 41 HA ASP 41 0.686 8.165 -6.511 311 HB2 ASP 41 HB2 ASP 41 2.325 7.839 -8.307 312 HB3 ASP 41 HB3 ASP 41 2.350 6.105 -8.024 313 H VAL 42 H VAL 42 -0.167 7.152 -4.414 314 HA VAL 42 HA VAL 42 -1.050 4.391 -4.583 315 HB VAL 42 HB VAL 42 -1.788 6.480 -2.485 316 HG11 VAL 42 HG11 VAL 42 -2.213 4.516 -1.043 317 HG12 VAL 42 HG12 VAL 42 -1.863 3.438 -2.398 318 HG13 VAL 42 HG13 VAL 42 -3.257 4.521 -2.463 319 HG21 VAL 42 HG21 VAL 42 0.066 5.607 -1.143 320 HG22 VAL 42 HG22 VAL 42 0.660 6.271 -2.662 321 HG23 VAL 42 HG23 VAL 42 0.539 4.522 -2.455 322 H GLN 43 H GLN 43 -2.920 3.774 -5.451 323 HA GLN 43 HA GLN 43 -5.079 5.696 -6.062 324 HB2 GLN 43 HB2 GLN 43 -3.812 3.675 -7.985 325 HB3 GLN 43 HB3 GLN 43 -5.266 4.614 -8.328 326 HG2 GLN 43 HG2 GLN 43 -3.896 6.699 -8.070 327 HG3 GLN 43 HG3 GLN 43 -2.469 5.680 -7.904 328 HE21 GLN 43 HE21 GLN 43 -1.599 4.708 -9.739 329 HE22 GLN 43 HE22 GLN 43 -2.120 5.118 -11.338 330 H THR 44 H THR 44 -7.101 4.370 -6.881 331 HA THR 44 HA THR 44 -7.551 2.131 -5.043 332 HB THR 44 HB THR 44 -9.477 3.488 -6.950 333 HG1 THR 44 HG1 THR 44 -8.374 4.667 -5.025 334 HG21 THR 44 HG21 THR 44 -10.022 1.723 -4.537 335 HG22 THR 44 HG22 THR 44 -10.273 1.264 -6.225 336 HG23 THR 44 HG23 THR 44 -11.247 2.545 -5.498 337 H SER 45 H SER 45 -7.729 0.044 -5.678 338 HA SER 45 HA SER 45 -7.057 -0.654 -8.455 339 HB2 SER 45 HB2 SER 45 -5.699 -1.631 -6.577 340 HB3 SER 45 HB3 SER 45 -7.140 -2.446 -5.975 341 HG SER 45 HG SER 45 -6.349 -3.974 -7.237 342 H ARG 46 H ARG 46 -8.129 -2.927 -9.081 343 HA ARG 46 HA ARG 46 -10.985 -2.671 -9.269 344 HB2 ARG 46 HB2 ARG 46 -9.225 -5.113 -9.803 345 HB3 ARG 46 HB3 ARG 46 -10.876 -4.881 -10.380 346 HG2 ARG 46 HG2 ARG 46 -10.149 -3.050 -11.834 347 HG3 ARG 46 HG3 ARG 46 -8.512 -3.152 -11.186 348 HD2 ARG 46 HD2 ARG 46 -8.442 -5.543 -12.066 349 HD3 ARG 46 HD3 ARG 46 -9.948 -5.182 -12.914 350 HE ARG 46 HE ARG 46 -8.662 -3.324 -14.033 351 HH11 ARG 46 HH11 ARG 46 -6.991 -6.176 -12.832 352 HH12 ARG 46 HH12 ARG 46 -5.676 -6.037 -13.953 353 HH21 ARG 46 HH21 ARG 46 -6.930 -3.147 -15.528 354 HH22 ARG 46 HH22 ARG 46 -5.644 -4.318 -15.483 355 H GLU 47 H GLU 47 -8.746 -4.418 -7.241 356 HA GLU 47 HA GLU 47 -10.547 -6.209 -5.959 357 HB2 GLU 47 HB2 GLU 47 -7.739 -5.271 -5.269 358 HB3 GLU 47 HB3 GLU 47 -8.613 -6.435 -4.289 359 HG2 GLU 47 HG2 GLU 47 -7.033 -7.548 -5.763 360 HG3 GLU 47 HG3 GLU 47 -8.690 -8.010 -6.142 361 HA PRO 48 HA PRO 48 -12.425 -3.077 -3.260 362 HB2 PRO 48 HB2 PRO 48 -13.537 -5.483 -1.831 363 HB3 PRO 48 HB3 PRO 48 -14.394 -4.111 -2.568 364 HG2 PRO 48 HG2 PRO 48 -14.436 -6.509 -3.735 365 HG3 PRO 48 HG3 PRO 48 -14.314 -5.028 -4.720 366 HD2 PRO 48 HD2 PRO 48 -12.119 -6.938 -3.899 367 HD3 PRO 48 HD3 PRO 48 -12.441 -6.204 -5.488 368 H GLY 49 H GLY 49 -11.289 -2.079 -1.728 369 HA2 GLY 49 HA2 GLY 49 -10.403 -1.764 0.424 370 HA3 GLY 49 HA3 GLY 49 -10.340 -3.503 0.658 371 H TRP 50 H TRP 50 -8.997 -2.948 -2.324 372 HA TRP 50 HA TRP 50 -6.263 -2.863 -1.187 373 HB2 TRP 50 HB2 TRP 50 -7.243 -4.278 -3.708 374 HB3 TRP 50 HB3 TRP 50 -5.554 -4.167 -3.213 375 HD1 TRP 50 HD1 TRP 50 -8.860 -5.883 -2.209 376 HE1 TRP 50 HE1 TRP 50 -8.339 -7.818 -0.596 377 HE3 TRP 50 HE3 TRP 50 -3.845 -5.129 -1.623 378 HZ2 TRP 50 HZ2 TRP 50 -6.103 -8.881 0.754 379 HZ3 TRP 50 HZ3 TRP 50 -2.584 -6.640 -0.148 380 HH2 TRP 50 HH2 TRP 50 -3.695 -8.474 1.018 381 H LEU 51 H LEU 51 -5.054 -1.243 -1.731 382 HA LEU 51 HA LEU 51 -5.696 0.580 -3.970 383 HB2 LEU 51 HB2 LEU 51 -3.852 0.991 -1.568 384 HB3 LEU 51 HB3 LEU 51 -4.197 2.197 -2.799 385 HG LEU 51 HG LEU 51 -6.149 1.084 -0.747 386 HD11 LEU 51 HD11 LEU 51 -4.999 3.880 -1.023 387 HD12 LEU 51 HD12 LEU 51 -4.579 2.688 0.210 388 HD13 LEU 51 HD13 LEU 51 -6.206 3.359 0.160 389 HD21 LEU 51 HD21 LEU 51 -7.362 1.471 -2.820 390 HD22 LEU 51 HD22 LEU 51 -6.715 3.110 -2.933 391 HD23 LEU 51 HD23 LEU 51 -7.806 2.674 -1.613 392 H GLU 52 H GLU 52 -3.863 1.280 -5.364 393 HA GLU 52 HA GLU 52 -1.604 -0.643 -5.451 394 HB2 GLU 52 HB2 GLU 52 -2.847 1.007 -7.697 395 HB3 GLU 52 HB3 GLU 52 -1.362 0.067 -7.860 396 HG2 GLU 52 HG2 GLU 52 -2.654 -1.994 -7.279 397 HG3 GLU 52 HG3 GLU 52 -4.122 -1.015 -7.252 398 H GLY 53 H GLY 53 0.372 0.147 -5.101 399 HA2 GLY 53 HA2 GLY 53 0.980 3.008 -5.399 400 HA3 GLY 53 HA3 GLY 53 1.090 2.330 -3.770 401 H THR 54 H THR 54 3.314 3.387 -5.087 402 HA THR 54 HA THR 54 4.885 1.166 -6.176 403 HB THR 54 HB THR 54 5.626 4.122 -5.978 404 HG1 THR 54 HG1 THR 54 3.668 3.594 -7.263 405 HG21 THR 54 HG21 THR 54 6.728 1.942 -7.805 406 HG22 THR 54 HG22 THR 54 7.551 2.576 -6.378 407 HG23 THR 54 HG23 THR 54 7.241 3.628 -7.758 408 H LEU 55 H LEU 55 6.056 0.031 -4.753 409 HA LEU 55 HA LEU 55 7.495 1.393 -2.560 410 HB2 LEU 55 HB2 LEU 55 5.583 -0.007 -1.689 411 HB3 LEU 55 HB3 LEU 55 6.309 -1.416 -2.446 412 HG LEU 55 HG LEU 55 8.337 -1.109 -0.986 413 HD11 LEU 55 HD11 LEU 55 8.235 0.358 0.967 414 HD12 LEU 55 HD12 LEU 55 6.700 1.031 0.408 415 HD13 LEU 55 HD13 LEU 55 8.174 1.278 -0.535 416 HD21 LEU 55 HD21 LEU 55 5.737 -1.427 0.532 417 HD22 LEU 55 HD22 LEU 55 7.331 -1.992 1.040 418 HD23 LEU 55 HD23 LEU 55 6.565 -2.686 -0.383 419 H ASN 56 H ASN 56 9.603 1.269 -2.963 420 HA ASN 56 HA ASN 56 11.688 0.595 -3.578 421 HB2 ASN 56 HB2 ASN 56 10.521 -2.225 -3.697 422 HB3 ASN 56 HB3 ASN 56 12.231 -1.812 -3.627 423 HD21 ASN 56 HD21 ASN 56 10.417 -3.349 -1.817 424 HD22 ASN 56 HD22 ASN 56 10.651 -2.663 -0.259 425 H GLY 57 H GLY 57 9.482 1.166 -5.592 426 HA2 GLY 57 HA2 GLY 57 9.656 1.638 -7.872 427 HA3 GLY 57 HA3 GLY 57 10.942 0.452 -8.031 428 H LYS 58 H LYS 58 8.084 -0.554 -6.325 429 HA LYS 58 HA LYS 58 7.151 -2.093 -8.683 430 HB2 LYS 58 HB2 LYS 58 8.468 -3.432 -6.970 431 HB3 LYS 58 HB3 LYS 58 7.196 -3.099 -5.803 432 HG2 LYS 58 HG2 LYS 58 5.562 -4.249 -7.329 433 HG3 LYS 58 HG3 LYS 58 6.906 -4.669 -8.398 434 HD2 LYS 58 HD2 LYS 58 6.505 -5.582 -5.519 435 HD3 LYS 58 HD3 LYS 58 6.377 -6.576 -6.971 436 HE2 LYS 58 HE2 LYS 58 8.802 -6.183 -7.405 437 HE3 LYS 58 HE3 LYS 58 8.900 -5.280 -5.891 438 HZ1 LYS 58 HZ1 LYS 58 9.631 -7.527 -5.530 439 HZ2 LYS 58 HZ2 LYS 58 8.207 -8.160 -6.185 440 HZ3 LYS 58 HZ3 LYS 58 8.162 -7.311 -4.728 441 H ARG 59 H ARG 59 5.078 -1.749 -9.144 442 HA ARG 59 HA ARG 59 3.227 -0.501 -7.235 443 HB2 ARG 59 HB2 ARG 59 3.262 0.430 -9.506 444 HB3 ARG 59 HB3 ARG 59 2.994 -1.159 -10.210 445 HG2 ARG 59 HG2 ARG 59 0.735 -1.223 -9.214 446 HG3 ARG 59 HG3 ARG 59 0.997 0.373 -8.505 447 HD2 ARG 59 HD2 ARG 59 1.196 1.354 -10.756 448 HD3 ARG 59 HD3 ARG 59 1.013 -0.245 -11.484 449 HE ARG 59 HE ARG 59 -1.255 -0.278 -10.433 450 HH11 ARG 59 HH11 ARG 59 0.266 2.797 -11.263 451 HH12 ARG 59 HH12 ARG 59 -1.241 3.627 -11.451 452 HH21 ARG 59 HH21 ARG 59 -3.224 0.804 -10.708 453 HH22 ARG 59 HH22 ARG 59 -3.232 2.481 -11.129 454 H GLY 60 H GLY 60 1.570 -1.658 -6.266 455 HA2 GLY 60 HA2 GLY 60 0.473 -4.075 -7.323 456 HA3 GLY 60 HA3 GLY 60 1.630 -4.428 -6.047 457 H LEU 61 H LEU 61 -0.475 -5.418 -5.296 458 HA LEU 61 HA LEU 61 -2.580 -3.715 -4.381 459 HB2 LEU 61 HB2 LEU 61 -2.064 -6.676 -3.909 460 HB3 LEU 61 HB3 LEU 61 -3.528 -5.826 -3.435 461 HG LEU 61 HG LEU 61 -2.564 -6.310 -6.257 462 HD11 LEU 61 HD11 LEU 61 -4.991 -7.368 -4.788 463 HD12 LEU 61 HD12 LEU 61 -3.537 -8.279 -5.210 464 HD13 LEU 61 HD13 LEU 61 -4.588 -7.667 -6.482 465 HD21 LEU 61 HD21 LEU 61 -4.664 -5.219 -6.993 466 HD22 LEU 61 HD22 LEU 61 -3.566 -4.106 -6.182 467 HD23 LEU 61 HD23 LEU 61 -4.976 -4.735 -5.324 468 H ILE 62 H ILE 62 -2.625 -2.699 -2.593 469 HA ILE 62 HA ILE 62 -1.040 -3.448 -0.221 470 HB ILE 62 HB ILE 62 -1.967 -0.680 -1.158 471 HG12 ILE 62 HG12 ILE 62 0.873 -1.806 -1.180 472 HG13 ILE 62 HG13 ILE 62 -0.152 -1.632 -2.599 473 HG21 ILE 62 HG21 ILE 62 -0.162 -1.403 1.172 474 HG22 ILE 62 HG22 ILE 62 -1.830 -0.839 1.289 475 HG23 ILE 62 HG23 ILE 62 -0.580 0.229 0.652 476 HD11 ILE 62 HD11 ILE 62 -0.186 0.788 -2.281 477 HD12 ILE 62 HD12 ILE 62 1.445 0.152 -2.478 478 HD13 ILE 62 HD13 ILE 62 0.872 0.615 -0.876 479 HA PRO 63 HA PRO 63 -5.255 -3.577 1.605 480 HB2 PRO 63 HB2 PRO 63 -3.906 -3.750 4.251 481 HB3 PRO 63 HB3 PRO 63 -4.951 -4.940 3.441 482 HG2 PRO 63 HG2 PRO 63 -2.293 -5.335 3.767 483 HG3 PRO 63 HG3 PRO 63 -3.205 -5.991 2.387 484 HD2 PRO 63 HD2 PRO 63 -1.423 -3.569 2.492 485 HD3 PRO 63 HD3 PRO 63 -1.582 -4.801 1.220 486 H GLN 64 H GLN 64 -6.293 -1.716 1.673 487 HA GLN 64 HA GLN 64 -5.324 0.857 2.058 488 HB2 GLN 64 HB2 GLN 64 -7.398 0.336 0.841 489 HB3 GLN 64 HB3 GLN 64 -8.171 -0.204 2.326 490 HG2 GLN 64 HG2 GLN 64 -8.130 2.073 3.212 491 HG3 GLN 64 HG3 GLN 64 -7.255 2.636 1.792 492 HE21 GLN 64 HE21 GLN 64 -10.347 1.559 3.015 493 HE22 GLN 64 HE22 GLN 64 -11.289 2.105 1.673 494 H ASN 65 H ASN 65 -6.912 -1.291 4.368 495 HA ASN 65 HA ASN 65 -7.131 0.540 6.533 496 HB2 ASN 65 HB2 ASN 65 -7.194 -2.504 6.429 497 HB3 ASN 65 HB3 ASN 65 -7.410 -1.615 7.929 498 HD21 ASN 65 HD21 ASN 65 -8.882 -2.493 4.906 499 HD22 ASN 65 HD22 ASN 65 -10.457 -1.912 5.257 500 H TYR 66 H TYR 66 -4.362 -1.073 5.281 501 HA TYR 66 HA TYR 66 -2.908 -0.983 7.854 502 HB2 TYR 66 HB2 TYR 66 -2.277 -2.400 5.231 503 HB3 TYR 66 HB3 TYR 66 -1.142 -2.315 6.576 504 HD1 TYR 66 HD2 TYR 66 -4.251 -2.527 8.152 505 HD2 TYR 66 HD1 TYR 66 -1.566 -4.951 5.873 506 HE1 TYR 66 HE2 TYR 66 -5.237 -4.538 9.133 507 HE2 TYR 66 HE1 TYR 66 -2.553 -6.968 6.879 508 HH TYR 66 HH TYR 66 -3.815 -7.625 8.843 509 H VAL 67 H VAL 67 -3.423 1.019 5.273 510 HA VAL 67 HA VAL 67 -0.879 2.463 5.784 511 HB VAL 67 HB VAL 67 -0.935 3.385 3.512 512 HG11 VAL 67 HG11 VAL 67 0.381 1.375 3.945 513 HG12 VAL 67 HG12 VAL 67 -0.239 1.378 2.297 514 HG13 VAL 67 HG13 VAL 67 -0.994 0.351 3.522 515 HG21 VAL 67 HG21 VAL 67 -3.337 3.305 3.043 516 HG22 VAL 67 HG22 VAL 67 -3.308 1.543 2.996 517 HG23 VAL 67 HG23 VAL 67 -2.447 2.475 1.764 518 H LYS 68 H LYS 68 -1.004 4.771 5.475 519 HA LYS 68 HA LYS 68 -3.661 5.990 5.924 520 HB2 LYS 68 HB2 LYS 68 -2.468 5.766 8.100 521 HB3 LYS 68 HB3 LYS 68 -1.071 6.618 7.447 522 HG2 LYS 68 HG2 LYS 68 -2.314 8.683 7.282 523 HG3 LYS 68 HG3 LYS 68 -3.832 7.863 7.668 524 HD2 LYS 68 HD2 LYS 68 -2.930 7.339 9.949 525 HD3 LYS 68 HD3 LYS 68 -1.463 8.242 9.549 526 HE2 LYS 68 HE2 LYS 68 -2.712 10.305 9.351 527 HE3 LYS 68 HE3 LYS 68 -4.248 9.448 9.503 528 HZ1 LYS 68 HZ1 LYS 68 -2.194 9.805 11.612 529 HZ2 LYS 68 HZ2 LYS 68 -3.538 8.798 11.773 530 HZ3 LYS 68 HZ3 LYS 68 -3.748 10.460 11.572 531 H LEU 69 H LEU 69 -4.019 7.386 4.311 532 HA LEU 69 HA LEU 69 -2.065 7.894 2.326 533 HB2 LEU 69 HB2 LEU 69 -4.831 9.105 2.696 534 HB3 LEU 69 HB3 LEU 69 -3.847 9.294 1.251 535 HG LEU 69 HG LEU 69 -4.984 6.670 2.299 536 HD11 LEU 69 HD11 LEU 69 -5.762 8.277 -0.151 537 HD12 LEU 69 HD12 LEU 69 -6.702 8.117 1.334 538 HD13 LEU 69 HD13 LEU 69 -6.419 6.706 0.321 539 HD21 LEU 69 HD21 LEU 69 -2.842 6.259 1.223 540 HD22 LEU 69 HD22 LEU 69 -3.337 7.179 -0.199 541 HD23 LEU 69 HD23 LEU 69 -4.152 5.666 0.206 542 H LEU 70 H LEU 70 -0.593 9.410 2.238 543 HA LEU 70 HA LEU 70 -0.626 11.725 4.030 544 HB2 LEU 70 HB2 LEU 70 1.578 10.952 2.075 545 HB3 LEU 70 HB3 LEU 70 1.703 11.988 3.482 546 HG LEU 70 HG LEU 70 1.275 8.978 3.546 547 HD11 LEU 70 HD11 LEU 70 3.504 9.561 2.734 548 HD12 LEU 70 HD12 LEU 70 3.581 8.820 4.327 549 HD13 LEU 70 HD13 LEU 70 3.788 10.567 4.158 550 HD21 LEU 70 HD21 LEU 70 1.695 9.144 5.962 551 HD22 LEU 70 HD22 LEU 70 0.250 10.024 5.480 552 HD23 LEU 70 HD23 LEU 70 1.737 10.906 5.838 Start of MODEL 11 1 H1 MET 1 H1 MET 1 9.245 25.528 -1.280 2 H2 MET 1 H2 MET 1 9.194 24.927 -2.859 3 H3 MET 1 H3 MET 1 8.628 26.480 -2.533 4 HA MET 1 HA MET 1 10.797 27.235 -1.959 5 HB2 MET 1 HB2 MET 1 11.712 24.423 -2.704 6 HB3 MET 1 HB3 MET 1 12.782 25.772 -2.335 7 HG2 MET 1 HG2 MET 1 10.878 24.402 -0.430 8 HG3 MET 1 HG3 MET 1 12.638 24.307 -0.423 9 HE1 MET 1 HE1 MET 1 13.375 27.451 -1.018 10 HE2 MET 1 HE2 MET 1 14.215 26.440 0.161 11 HE3 MET 1 HE3 MET 1 13.569 28.010 0.640 12 H GLY 2 H GLY 2 10.611 24.767 -4.576 13 HA2 GLY 2 HA2 GLY 2 10.422 26.822 -6.627 14 HA3 GLY 2 HA3 GLY 2 11.948 25.949 -6.592 15 H HIS 3 H HIS 3 8.457 25.198 -6.409 16 HA HIS 3 HA HIS 3 8.678 22.857 -8.093 17 HB2 HIS 3 HB2 HIS 3 6.251 24.429 -7.112 18 HB3 HIS 3 HB3 HIS 3 6.111 23.040 -8.185 19 HD1 HIS 3 HD1 HIS 3 4.938 23.190 -5.272 20 HD2 HIS 3 HD2 HIS 3 8.467 21.297 -6.372 21 HE1 HIS 3 HE1 HIS 3 5.302 21.386 -3.569 22 HE2 HIS 3 HE2 HIS 3 7.320 20.131 -4.381 23 H HIS 4 H HIS 4 8.166 26.282 -8.558 24 HA HIS 4 HA HIS 4 7.199 26.137 -11.258 25 HB2 HIS 4 HB2 HIS 4 6.739 28.074 -9.717 26 HB3 HIS 4 HB3 HIS 4 8.441 28.521 -9.799 27 HD1 HIS 4 HD1 HIS 4 5.832 27.729 -12.479 28 HD2 HIS 4 HD2 HIS 4 8.624 30.651 -11.502 29 HE1 HIS 4 HE1 HIS 4 5.761 29.387 -14.358 30 HE2 HIS 4 HE2 HIS 4 7.333 31.223 -13.662 31 H HIS 5 H HIS 5 10.228 25.534 -9.960 32 HA HIS 5 HA HIS 5 12.108 26.599 -11.740 33 HB2 HIS 5 HB2 HIS 5 12.656 25.490 -9.575 34 HB3 HIS 5 HB3 HIS 5 12.178 23.934 -10.240 35 HD1 HIS 5 HD1 HIS 5 13.803 22.825 -11.939 36 HD2 HIS 5 HD2 HIS 5 15.227 26.350 -10.269 37 HE1 HIS 5 HE1 HIS 5 16.256 22.873 -12.461 38 HE2 HIS 5 HE2 HIS 5 17.078 25.039 -11.490 39 H HIS 6 H HIS 6 11.203 26.524 -13.823 40 HA HIS 6 HA HIS 6 10.395 25.812 -15.791 41 HB2 HIS 6 HB2 HIS 6 12.673 23.845 -15.385 42 HB3 HIS 6 HB3 HIS 6 11.789 23.968 -16.902 43 HD1 HIS 6 HD1 HIS 6 14.878 24.967 -15.733 44 HD2 HIS 6 HD2 HIS 6 11.785 27.072 -17.541 45 HE1 HIS 6 HE1 HIS 6 15.941 26.996 -16.762 46 HE2 HIS 6 HE2 HIS 6 14.079 28.140 -18.003 47 H HIS 7 H HIS 7 8.478 25.255 -14.396 48 HA HIS 7 HA HIS 7 7.922 22.531 -13.679 49 HB2 HIS 7 HB2 HIS 7 7.083 24.508 -12.393 50 HB3 HIS 7 HB3 HIS 7 6.043 24.931 -13.744 51 HD1 HIS 7 HD1 HIS 7 3.869 23.607 -14.020 52 HD2 HIS 7 HD2 HIS 7 6.217 22.267 -10.864 53 HE1 HIS 7 HE1 HIS 7 2.401 22.068 -12.688 54 HE2 HIS 7 HE2 HIS 7 3.866 21.217 -10.826 55 H HIS 8 H HIS 8 8.213 21.551 -15.768 56 HA HIS 8 HA HIS 8 5.975 21.807 -17.682 57 HB2 HIS 8 HB2 HIS 8 8.573 20.221 -17.916 58 HB3 HIS 8 HB3 HIS 8 7.323 20.309 -19.153 59 HD1 HIS 8 HD1 HIS 8 6.967 22.688 -20.293 60 HD2 HIS 8 HD2 HIS 8 10.391 22.306 -17.964 61 HE1 HIS 8 HE1 HIS 8 8.429 24.626 -20.917 62 HE2 HIS 8 HE2 HIS 8 10.479 24.385 -19.483 63 H SER 9 H SER 9 7.402 19.673 -15.307 64 HA SER 9 HA SER 9 5.759 17.392 -15.761 65 HB2 SER 9 HB2 SER 9 7.148 18.352 -13.208 66 HB3 SER 9 HB3 SER 9 6.482 16.736 -13.468 67 HG SER 9 HG SER 9 8.497 16.411 -14.060 68 H HIS 10 H HIS 10 3.776 16.895 -14.903 69 HA HIS 10 HA HIS 10 2.447 18.868 -13.115 70 HB2 HIS 10 HB2 HIS 10 1.230 17.231 -15.383 71 HB3 HIS 10 HB3 HIS 10 0.264 18.055 -14.162 72 HD1 HIS 10 HD1 HIS 10 -0.201 20.510 -14.527 73 HD2 HIS 10 HD2 HIS 10 2.717 19.062 -17.099 74 HE1 HIS 10 HE1 HIS 10 0.252 22.364 -16.144 75 HE2 HIS 10 HE2 HIS 10 1.844 21.378 -17.816 76 H MET 11 H MET 11 2.950 17.904 -11.235 77 HA MET 11 HA MET 11 2.424 15.091 -10.675 78 HB2 MET 11 HB2 MET 11 3.621 17.417 -9.139 79 HB3 MET 11 HB3 MET 11 3.076 15.997 -8.253 80 HG2 MET 11 HG2 MET 11 5.472 15.906 -8.689 81 HG3 MET 11 HG3 MET 11 4.629 14.589 -9.488 82 HE1 MET 11 HE1 MET 11 7.708 15.681 -10.117 83 HE2 MET 11 HE2 MET 11 7.675 15.400 -11.858 84 HE3 MET 11 HE3 MET 11 6.956 14.217 -10.771 85 H ILE 12 H ILE 12 0.104 16.724 -11.462 86 HA ILE 12 HA ILE 12 -1.602 17.116 -9.231 87 HB ILE 12 HB ILE 12 -3.471 17.101 -10.836 88 HG12 ILE 12 HG12 ILE 12 -1.464 16.294 -12.995 89 HG13 ILE 12 HG13 ILE 12 -2.589 15.167 -12.251 90 HG21 ILE 12 HG21 ILE 12 -2.726 18.948 -12.304 91 HG22 ILE 12 HG22 ILE 12 -1.044 18.564 -11.931 92 HG23 ILE 12 HG23 ILE 12 -2.119 19.147 -10.657 93 HD11 ILE 12 HD11 ILE 12 -3.343 17.583 -13.889 94 HD12 ILE 12 HD12 ILE 12 -4.466 16.448 -13.135 95 HD13 ILE 12 HD13 ILE 12 -3.379 15.897 -14.409 96 H ARG 13 H ARG 13 -0.681 14.388 -11.130 97 HA ARG 13 HA ARG 13 -2.303 12.400 -9.794 98 HB2 ARG 13 HB2 ARG 13 -0.837 10.796 -11.017 99 HB3 ARG 13 HB3 ARG 13 -1.528 12.008 -12.092 100 HG2 ARG 13 HG2 ARG 13 0.580 13.229 -12.166 101 HG3 ARG 13 HG3 ARG 13 1.283 12.158 -10.953 102 HD2 ARG 13 HD2 ARG 13 0.355 11.246 -13.693 103 HD3 ARG 13 HD3 ARG 13 2.021 11.684 -13.298 104 HE ARG 13 HE ARG 13 1.408 9.802 -11.432 105 HH11 ARG 13 HH11 ARG 13 1.288 9.811 -14.966 106 HH12 ARG 13 HH12 ARG 13 1.588 8.106 -15.089 107 HH21 ARG 13 HH21 ARG 13 1.838 7.606 -11.632 108 HH22 ARG 13 HH22 ARG 13 1.902 6.862 -13.197 109 H SER 14 H SER 14 -0.733 10.429 -9.012 110 HA SER 14 HA SER 14 0.691 9.518 -7.573 111 HB2 SER 14 HB2 SER 14 2.425 10.794 -8.889 112 HB3 SER 14 HB3 SER 14 2.334 12.074 -7.678 113 HG SER 14 HG SER 14 3.505 9.562 -7.536 114 H ARG 15 H ARG 15 -0.916 9.481 -5.959 115 HA ARG 15 HA ARG 15 -0.828 11.510 -3.833 116 HB2 ARG 15 HB2 ARG 15 -3.001 10.309 -4.894 117 HB3 ARG 15 HB3 ARG 15 -2.615 9.037 -3.750 118 HG2 ARG 15 HG2 ARG 15 -2.953 11.915 -2.851 119 HG3 ARG 15 HG3 ARG 15 -4.344 10.857 -3.065 120 HD2 ARG 15 HD2 ARG 15 -3.596 9.375 -1.332 121 HD3 ARG 15 HD3 ARG 15 -2.014 10.145 -1.252 122 HE ARG 15 HE ARG 15 -2.905 11.875 -0.008 123 HH11 ARG 15 HH11 ARG 15 -5.528 9.740 -0.989 124 HH12 ARG 15 HH12 ARG 15 -6.651 10.410 0.149 125 HH21 ARG 15 HH21 ARG 15 -4.324 12.638 1.564 126 HH22 ARG 15 HH22 ARG 15 -5.960 12.055 1.596 127 H LYS 16 H LYS 16 -0.479 10.626 -1.556 128 HA LYS 16 HA LYS 16 1.572 8.481 -1.594 129 HB2 LYS 16 HB2 LYS 16 1.378 10.921 0.209 130 HB3 LYS 16 HB3 LYS 16 2.599 9.658 0.339 131 HG2 LYS 16 HG2 LYS 16 3.347 10.232 -1.995 132 HG3 LYS 16 HG3 LYS 16 2.224 11.595 -1.968 133 HD2 LYS 16 HD2 LYS 16 4.494 12.359 -1.417 134 HD3 LYS 16 HD3 LYS 16 3.438 12.545 -0.017 135 HE2 LYS 16 HE2 LYS 16 4.385 10.611 1.050 136 HE3 LYS 16 HE3 LYS 16 5.254 10.153 -0.413 137 HZ1 LYS 16 HZ1 LYS 16 6.743 11.146 1.147 138 HZ2 LYS 16 HZ2 LYS 16 5.788 12.533 1.271 139 HZ3 LYS 16 HZ3 LYS 16 6.574 12.181 -0.177 140 H ALA 17 H ALA 17 1.878 7.330 0.430 141 HA ALA 17 HA ALA 17 -0.294 7.262 2.386 142 HB1 ALA 17 HB1 ALA 17 -1.097 5.689 0.642 143 HB2 ALA 17 HB2 ALA 17 -0.692 4.829 2.132 144 HB3 ALA 17 HB3 ALA 17 0.416 4.787 0.757 145 H ARG 18 H ARG 18 0.378 6.338 4.349 146 HA ARG 18 HA ARG 18 3.178 5.400 4.570 147 HB2 ARG 18 HB2 ARG 18 2.824 7.532 5.815 148 HB3 ARG 18 HB3 ARG 18 1.481 6.809 6.698 149 HG2 ARG 18 HG2 ARG 18 3.095 5.122 7.657 150 HG3 ARG 18 HG3 ARG 18 4.406 5.986 6.853 151 HD2 ARG 18 HD2 ARG 18 3.807 8.023 8.181 152 HD3 ARG 18 HD3 ARG 18 2.582 7.068 9.024 153 HE ARG 18 HE ARG 18 5.456 6.356 9.097 154 HH11 ARG 18 HH11 ARG 18 2.464 6.998 10.833 155 HH12 ARG 18 HH12 ARG 18 3.120 6.559 12.378 156 HH21 ARG 18 HH21 ARG 18 6.306 5.805 11.135 157 HH22 ARG 18 HH22 ARG 18 5.291 5.886 12.540 158 H ALA 19 H ALA 19 3.297 3.302 5.051 159 HA ALA 19 HA ALA 19 1.124 1.651 5.782 160 HB1 ALA 19 HB1 ALA 19 4.115 1.181 6.063 161 HB2 ALA 19 HB2 ALA 19 3.125 0.770 4.661 162 HB3 ALA 19 HB3 ALA 19 2.867 -0.065 6.195 163 H VAL 20 H VAL 20 0.119 1.741 7.684 164 HA VAL 20 HA VAL 20 1.537 2.504 10.160 165 HB VAL 20 HB VAL 20 -0.748 2.694 11.160 166 HG11 VAL 20 HG11 VAL 20 -1.392 4.763 9.974 167 HG12 VAL 20 HG12 VAL 20 -0.359 4.324 8.613 168 HG13 VAL 20 HG13 VAL 20 0.355 4.675 10.191 169 HG21 VAL 20 HG21 VAL 20 -1.763 2.090 8.346 170 HG22 VAL 20 HG22 VAL 20 -2.758 2.664 9.687 171 HG23 VAL 20 HG23 VAL 20 -1.989 1.077 9.776 172 H TYR 21 H TYR 21 0.117 -0.223 8.527 173 HA TYR 21 HA TYR 21 1.100 -1.959 10.721 174 HB2 TYR 21 HB2 TYR 21 -1.092 -2.626 8.688 175 HB3 TYR 21 HB3 TYR 21 -0.526 -3.673 9.983 176 HD1 TYR 21 HD2 TYR 21 -0.597 -2.340 12.428 177 HD2 TYR 21 HD1 TYR 21 -3.195 -1.673 9.096 178 HE1 TYR 21 HE2 TYR 21 -2.308 -1.404 13.928 179 HE2 TYR 21 HE1 TYR 21 -4.894 -0.744 10.595 180 HH TYR 21 HH TYR 21 -5.509 -0.868 12.975 181 HA PRO 22 HA PRO 22 3.779 -3.636 7.448 182 HB2 PRO 22 HB2 PRO 22 4.425 -6.070 8.491 183 HB3 PRO 22 HB3 PRO 22 5.022 -4.567 9.228 184 HG2 PRO 22 HG2 PRO 22 2.678 -6.258 10.065 185 HG3 PRO 22 HG3 PRO 22 3.974 -5.566 11.072 186 HD2 PRO 22 HD2 PRO 22 1.525 -4.381 10.833 187 HD3 PRO 22 HD3 PRO 22 3.013 -3.443 11.089 188 H CYS 23 H CYS 23 3.666 -5.184 5.709 189 HA CYS 23 HA CYS 23 1.371 -7.053 5.701 190 HB2 CYS 23 HB2 CYS 23 0.762 -5.022 4.361 191 HB3 CYS 23 HB3 CYS 23 2.152 -5.317 3.320 192 HG CYS 23 HG CYS 23 1.141 -7.246 1.884 193 H GLU 24 H GLU 24 1.555 -8.672 4.077 194 HA GLU 24 HA GLU 24 4.247 -9.394 3.148 195 HB2 GLU 24 HB2 GLU 24 3.793 -11.760 4.010 196 HB3 GLU 24 HB3 GLU 24 4.095 -10.560 5.262 197 HG2 GLU 24 HG2 GLU 24 1.628 -10.374 5.634 198 HG3 GLU 24 HG3 GLU 24 1.382 -11.658 4.455 199 H ALA 25 H ALA 25 4.154 -10.309 1.132 200 HA ALA 25 HA ALA 25 1.692 -10.129 -0.321 201 HB1 ALA 25 HB1 ALA 25 3.014 -10.826 -2.278 202 HB2 ALA 25 HB2 ALA 25 4.390 -11.206 -1.235 203 HB3 ALA 25 HB3 ALA 25 3.828 -9.538 -1.389 204 H GLU 26 H GLU 26 0.177 -11.623 0.219 205 HA GLU 26 HA GLU 26 0.624 -14.350 0.850 206 HB2 GLU 26 HB2 GLU 26 -1.825 -14.632 0.509 207 HB3 GLU 26 HB3 GLU 26 -1.452 -13.223 1.497 208 HG2 GLU 26 HG2 GLU 26 -1.753 -11.772 -0.505 209 HG3 GLU 26 HG3 GLU 26 -2.219 -13.194 -1.437 210 H HIS 27 H HIS 27 0.040 -12.645 -2.143 211 HA HIS 27 HA HIS 27 1.163 -14.867 -3.702 212 HB2 HIS 27 HB2 HIS 27 -1.301 -15.003 -3.994 213 HB3 HIS 27 HB3 HIS 27 -1.380 -13.294 -4.405 214 HD2 HIS 27 HD2 HIS 27 -0.266 -16.701 -6.012 215 HE1 HIS 27 HE1 HIS 27 -0.487 -13.730 -9.007 216 HE2 HIS 27 HE2 HIS 27 -0.348 -16.210 -8.549 217 H SER 28 H SER 28 1.908 -13.951 -5.891 218 HA SER 28 HA SER 28 3.685 -11.814 -5.464 219 HB2 SER 28 HB2 SER 28 4.120 -12.112 -7.990 220 HB3 SER 28 HB3 SER 28 4.348 -13.534 -6.974 221 HG SER 28 HG SER 28 1.903 -13.007 -8.294 222 H SER 29 H SER 29 0.376 -11.638 -6.300 223 HA SER 29 HA SER 29 0.362 -9.217 -7.808 224 HB2 SER 29 HB2 SER 29 -1.790 -10.427 -6.010 225 HB3 SER 29 HB3 SER 29 -2.040 -9.132 -7.187 226 HG SER 29 HG SER 29 -1.732 -11.840 -7.582 227 H GLU 30 H GLU 30 0.330 -9.963 -4.364 228 HA GLU 30 HA GLU 30 -0.272 -7.298 -3.449 229 HB2 GLU 30 HB2 GLU 30 0.573 -9.854 -2.033 230 HB3 GLU 30 HB3 GLU 30 0.337 -8.344 -1.165 231 HG2 GLU 30 HG2 GLU 30 -1.600 -9.820 -0.975 232 HG3 GLU 30 HG3 GLU 30 -2.000 -8.298 -1.765 233 H LEU 31 H LEU 31 1.152 -6.280 -1.741 234 HA LEU 31 HA LEU 31 4.051 -6.500 -2.369 235 HB2 LEU 31 HB2 LEU 31 2.513 -4.168 -1.154 236 HB3 LEU 31 HB3 LEU 31 4.267 -4.242 -1.252 237 HG LEU 31 HG LEU 31 2.315 -4.078 -3.564 238 HD11 LEU 31 HD11 LEU 31 4.485 -2.171 -2.660 239 HD12 LEU 31 HD12 LEU 31 2.743 -1.961 -2.443 240 HD13 LEU 31 HD13 LEU 31 3.430 -1.976 -4.065 241 HD21 LEU 31 HD21 LEU 31 4.092 -5.612 -4.219 242 HD22 LEU 31 HD22 LEU 31 5.325 -4.448 -3.725 243 HD23 LEU 31 HD23 LEU 31 4.249 -4.082 -5.077 244 H SER 32 H SER 32 5.508 -6.129 -0.602 245 HA SER 32 HA SER 32 4.651 -7.142 2.042 246 HB2 SER 32 HB2 SER 32 7.267 -7.775 0.592 247 HB3 SER 32 HB3 SER 32 6.743 -8.426 2.147 248 HG SER 32 HG SER 32 5.498 -8.846 -0.372 249 H PHE 33 H PHE 33 5.408 -5.876 3.740 250 HA PHE 33 HA PHE 33 7.526 -4.017 3.600 251 HB2 PHE 33 HB2 PHE 33 6.154 -1.885 3.647 252 HB3 PHE 33 HB3 PHE 33 6.187 -2.703 2.099 253 HD1 PHE 33 HD1 PHE 33 4.031 -2.013 5.079 254 HD2 PHE 33 HD2 PHE 33 4.153 -3.400 1.025 255 HE1 PHE 33 HE1 PHE 33 1.578 -1.852 4.941 256 HE2 PHE 33 HE2 PHE 33 1.699 -3.238 0.905 257 HZ PHE 33 HZ PHE 33 0.416 -2.462 2.861 258 H GLU 34 H GLU 34 7.042 -2.193 5.384 259 HA GLU 34 HA GLU 34 5.838 -3.434 7.781 260 HB2 GLU 34 HB2 GLU 34 7.745 -2.979 9.145 261 HB3 GLU 34 HB3 GLU 34 8.346 -3.839 7.744 262 HG2 GLU 34 HG2 GLU 34 8.571 -0.853 8.239 263 HG3 GLU 34 HG3 GLU 34 9.866 -2.027 8.430 264 H ILE 35 H ILE 35 5.957 -1.692 9.622 265 HA ILE 35 HA ILE 35 4.394 0.557 8.875 266 HB ILE 35 HB ILE 35 5.918 0.193 11.498 267 HG12 ILE 35 HG12 ILE 35 3.077 -0.687 10.851 268 HG13 ILE 35 HG13 ILE 35 4.454 -1.779 10.933 269 HG21 ILE 35 HG21 ILE 35 5.053 2.492 11.163 270 HG22 ILE 35 HG22 ILE 35 4.184 1.676 12.463 271 HG23 ILE 35 HG23 ILE 35 3.434 1.844 10.877 272 HD11 ILE 35 HD11 ILE 35 3.334 -0.165 13.223 273 HD12 ILE 35 HD12 ILE 35 4.750 -1.220 13.302 274 HD13 ILE 35 HD13 ILE 35 3.160 -1.900 12.955 275 H GLY 36 H GLY 36 5.028 2.462 8.112 276 HA2 GLY 36 HA2 GLY 36 6.394 4.456 8.278 277 HA3 GLY 36 HA3 GLY 36 7.809 3.438 8.509 278 H ALA 37 H ALA 37 6.338 1.713 6.290 279 HA ALA 37 HA ALA 37 7.887 2.543 4.092 280 HB1 ALA 37 HB1 ALA 37 7.157 0.202 4.374 281 HB2 ALA 37 HB2 ALA 37 6.633 0.837 2.813 282 HB3 ALA 37 HB3 ALA 37 5.475 0.686 4.137 283 H ILE 38 H ILE 38 7.523 4.522 3.259 284 HA ILE 38 HA ILE 38 4.848 5.556 2.749 285 HB ILE 38 HB ILE 38 7.498 6.759 1.818 286 HG12 ILE 38 HG12 ILE 38 7.462 6.526 4.321 287 HG13 ILE 38 HG13 ILE 38 7.471 8.208 3.805 288 HG21 ILE 38 HG21 ILE 38 6.206 8.867 1.649 289 HG22 ILE 38 HG22 ILE 38 4.739 8.011 2.128 290 HG23 ILE 38 HG23 ILE 38 5.538 7.610 0.605 291 HD11 ILE 38 HD11 ILE 38 5.996 7.870 5.673 292 HD12 ILE 38 HD12 ILE 38 5.084 6.657 4.777 293 HD13 ILE 38 HD13 ILE 38 5.067 8.343 4.251 294 H PHE 39 H PHE 39 3.876 5.712 0.728 295 HA PHE 39 HA PHE 39 5.142 4.272 -1.530 296 HB2 PHE 39 HB2 PHE 39 2.162 4.358 -0.863 297 HB3 PHE 39 HB3 PHE 39 2.931 3.422 -2.143 298 HD1 PHE 39 HD1 PHE 39 4.470 1.505 -1.525 299 HD2 PHE 39 HD2 PHE 39 2.019 3.491 1.371 300 HE1 PHE 39 HE1 PHE 39 4.757 -0.375 0.035 301 HE2 PHE 39 HE2 PHE 39 2.325 1.606 2.912 302 HZ PHE 39 HZ PHE 39 3.688 -0.317 2.246 303 H GLU 40 H GLU 40 4.970 5.168 -3.505 304 HA GLU 40 HA GLU 40 3.823 7.861 -3.828 305 HB2 GLU 40 HB2 GLU 40 5.795 6.337 -5.594 306 HB3 GLU 40 HB3 GLU 40 5.343 8.027 -5.758 307 HG2 GLU 40 HG2 GLU 40 6.832 6.865 -3.396 308 HG3 GLU 40 HG3 GLU 40 7.600 7.661 -4.763 309 H ASP 41 H ASP 41 2.499 8.269 -5.626 310 HA ASP 41 HA ASP 41 0.903 7.943 -7.224 311 HB2 ASP 41 HB2 ASP 41 2.766 5.662 -7.988 312 HB3 ASP 41 HB3 ASP 41 1.361 6.084 -8.961 313 H VAL 42 H VAL 42 0.268 6.999 -4.757 314 HA VAL 42 HA VAL 42 -0.858 4.372 -4.776 315 HB VAL 42 HB VAL 42 -1.600 6.633 -2.865 316 HG11 VAL 42 HG11 VAL 42 -2.161 4.780 -1.298 317 HG12 VAL 42 HG12 VAL 42 -1.800 3.604 -2.561 318 HG13 VAL 42 HG13 VAL 42 -3.152 4.723 -2.760 319 HG21 VAL 42 HG21 VAL 42 0.645 4.611 -2.582 320 HG22 VAL 42 HG22 VAL 42 0.154 5.798 -1.370 321 HG23 VAL 42 HG23 VAL 42 0.841 6.337 -2.903 322 H GLN 43 H GLN 43 -2.680 3.769 -5.703 323 HA GLN 43 HA GLN 43 -4.863 5.688 -6.301 324 HB2 GLN 43 HB2 GLN 43 -3.874 3.484 -8.179 325 HB3 GLN 43 HB3 GLN 43 -5.180 4.624 -8.491 326 HG2 GLN 43 HG2 GLN 43 -3.529 6.488 -8.448 327 HG3 GLN 43 HG3 GLN 43 -2.235 5.311 -8.231 328 HE21 GLN 43 HE21 GLN 43 -2.507 7.194 -10.376 329 HE22 GLN 43 HE22 GLN 43 -2.633 6.284 -11.838 330 H THR 44 H THR 44 -6.948 4.397 -6.810 331 HA THR 44 HA THR 44 -7.244 2.303 -4.803 332 HB THR 44 HB THR 44 -9.335 3.527 -6.619 333 HG1 THR 44 HG1 THR 44 -9.844 4.588 -4.457 334 HG21 THR 44 HG21 THR 44 -10.047 1.346 -5.713 335 HG22 THR 44 HG22 THR 44 -10.979 2.663 -4.997 336 HG23 THR 44 HG23 THR 44 -9.675 1.906 -4.079 337 H SER 45 H SER 45 -7.451 0.198 -5.221 338 HA SER 45 HA SER 45 -6.968 -0.856 -7.880 339 HB2 SER 45 HB2 SER 45 -7.426 -2.344 -5.254 340 HB3 SER 45 HB3 SER 45 -6.788 -3.039 -6.747 341 HG SER 45 HG SER 45 -4.902 -2.161 -6.355 342 H ARG 46 H ARG 46 -8.332 -2.384 -8.931 343 HA ARG 46 HA ARG 46 -11.134 -1.937 -8.869 344 HB2 ARG 46 HB2 ARG 46 -9.625 -4.280 -10.100 345 HB3 ARG 46 HB3 ARG 46 -11.278 -3.799 -10.478 346 HG2 ARG 46 HG2 ARG 46 -10.381 -1.599 -11.320 347 HG3 ARG 46 HG3 ARG 46 -8.750 -2.232 -11.076 348 HD2 ARG 46 HD2 ARG 46 -9.410 -2.468 -13.426 349 HD3 ARG 46 HD3 ARG 46 -9.242 -4.063 -12.682 350 HE ARG 46 HE ARG 46 -11.919 -2.865 -12.770 351 HH11 ARG 46 HH11 ARG 46 -9.745 -5.299 -14.119 352 HH12 ARG 46 HH12 ARG 46 -11.032 -6.187 -14.874 353 HH21 ARG 46 HH21 ARG 46 -13.575 -4.049 -13.757 354 HH22 ARG 46 HH22 ARG 46 -13.197 -5.476 -14.670 355 H GLU 47 H GLU 47 -9.104 -3.940 -6.999 356 HA GLU 47 HA GLU 47 -11.117 -5.747 -5.974 357 HB2 GLU 47 HB2 GLU 47 -8.286 -5.077 -5.046 358 HB3 GLU 47 HB3 GLU 47 -9.302 -6.307 -4.303 359 HG2 GLU 47 HG2 GLU 47 -7.683 -7.342 -5.763 360 HG3 GLU 47 HG3 GLU 47 -9.304 -7.587 -6.404 361 HA PRO 48 HA PRO 48 -12.782 -2.680 -2.975 362 HB2 PRO 48 HB2 PRO 48 -13.827 -5.197 -1.679 363 HB3 PRO 48 HB3 PRO 48 -14.702 -3.723 -2.153 364 HG2 PRO 48 HG2 PRO 48 -14.967 -5.934 -3.600 365 HG3 PRO 48 HG3 PRO 48 -14.836 -4.350 -4.403 366 HD2 PRO 48 HD2 PRO 48 -12.711 -6.466 -4.056 367 HD3 PRO 48 HD3 PRO 48 -13.092 -5.477 -5.484 368 H GLY 49 H GLY 49 -11.465 -1.798 -1.508 369 HA2 GLY 49 HA2 GLY 49 -10.503 -1.546 0.598 370 HA3 GLY 49 HA3 GLY 49 -10.623 -3.275 0.875 371 H TRP 50 H TRP 50 -9.199 -2.571 -2.123 372 HA TRP 50 HA TRP 50 -6.444 -2.747 -1.023 373 HB2 TRP 50 HB2 TRP 50 -7.576 -3.912 -3.616 374 HB3 TRP 50 HB3 TRP 50 -5.858 -3.894 -3.211 375 HD1 TRP 50 HD1 TRP 50 -9.161 -5.555 -2.086 376 HE1 TRP 50 HE1 TRP 50 -8.596 -7.578 -0.602 377 HE3 TRP 50 HE3 TRP 50 -4.096 -5.027 -1.880 378 HZ2 TRP 50 HZ2 TRP 50 -6.315 -8.778 0.522 379 HZ3 TRP 50 HZ3 TRP 50 -2.787 -6.652 -0.574 380 HH2 TRP 50 HH2 TRP 50 -3.879 -8.491 0.603 381 H LEU 51 H LEU 51 -4.855 -1.479 -1.907 382 HA LEU 51 HA LEU 51 -5.559 0.587 -3.894 383 HB2 LEU 51 HB2 LEU 51 -3.773 0.973 -1.446 384 HB3 LEU 51 HB3 LEU 51 -4.168 2.200 -2.640 385 HG LEU 51 HG LEU 51 -6.127 0.940 -0.678 386 HD11 LEU 51 HD11 LEU 51 -4.931 3.719 -0.684 387 HD12 LEU 51 HD12 LEU 51 -4.565 2.413 0.448 388 HD13 LEU 51 HD13 LEU 51 -6.177 3.121 0.415 389 HD21 LEU 51 HD21 LEU 51 -7.743 2.626 -1.435 390 HD22 LEU 51 HD22 LEU 51 -7.278 1.540 -2.741 391 HD23 LEU 51 HD23 LEU 51 -6.609 3.173 -2.675 392 H GLU 52 H GLU 52 -3.787 1.112 -5.328 393 HA GLU 52 HA GLU 52 -1.536 -0.790 -5.356 394 HB2 GLU 52 HB2 GLU 52 -2.516 1.123 -7.525 395 HB3 GLU 52 HB3 GLU 52 -1.154 0.014 -7.691 396 HG2 GLU 52 HG2 GLU 52 -2.740 -1.893 -7.340 397 HG3 GLU 52 HG3 GLU 52 -4.069 -0.732 -7.330 398 H GLY 53 H GLY 53 0.411 -0.067 -4.693 399 HA2 GLY 53 HA2 GLY 53 0.972 2.855 -4.597 400 HA3 GLY 53 HA3 GLY 53 1.155 1.859 -3.151 401 H THR 54 H THR 54 3.146 3.337 -4.846 402 HA THR 54 HA THR 54 4.830 1.151 -5.857 403 HB THR 54 HB THR 54 5.251 4.148 -6.246 404 HG1 THR 54 HG1 THR 54 3.227 3.611 -7.112 405 HG21 THR 54 HG21 THR 54 6.531 3.427 -8.237 406 HG22 THR 54 HG22 THR 54 6.223 1.738 -7.829 407 HG23 THR 54 HG23 THR 54 7.218 2.738 -6.764 408 H LEU 55 H LEU 55 6.381 0.454 -4.547 409 HA LEU 55 HA LEU 55 7.410 2.089 -2.302 410 HB2 LEU 55 HB2 LEU 55 6.045 0.097 -1.650 411 HB3 LEU 55 HB3 LEU 55 7.136 -0.934 -2.555 412 HG LEU 55 HG LEU 55 8.998 -0.281 -0.980 413 HD11 LEU 55 HD11 LEU 55 6.817 1.102 0.603 414 HD12 LEU 55 HD12 LEU 55 8.154 1.887 -0.244 415 HD13 LEU 55 HD13 LEU 55 8.481 0.834 1.131 416 HD21 LEU 55 HD21 LEU 55 6.575 -1.538 0.338 417 HD22 LEU 55 HD22 LEU 55 8.247 -1.665 0.896 418 HD23 LEU 55 HD23 LEU 55 7.782 -2.369 -0.651 419 H ASN 56 H ASN 56 9.308 2.893 -3.037 420 HA ASN 56 HA ASN 56 11.397 3.131 -3.900 421 HB2 ASN 56 HB2 ASN 56 11.595 0.161 -3.215 422 HB3 ASN 56 HB3 ASN 56 12.970 1.171 -3.646 423 HD21 ASN 56 HD21 ASN 56 12.086 -0.280 -1.114 424 HD22 ASN 56 HD22 ASN 56 12.285 0.909 0.125 425 H GLY 57 H GLY 57 9.126 2.171 -5.719 426 HA2 GLY 57 HA2 GLY 57 9.357 2.366 -8.119 427 HA3 GLY 57 HA3 GLY 57 10.800 1.375 -8.038 428 H LYS 58 H LYS 58 8.757 -0.125 -5.954 429 HA LYS 58 HA LYS 58 7.819 -2.022 -8.032 430 HB2 LYS 58 HB2 LYS 58 9.337 -2.892 -6.230 431 HB3 LYS 58 HB3 LYS 58 8.134 -2.421 -5.039 432 HG2 LYS 58 HG2 LYS 58 6.505 -3.998 -6.109 433 HG3 LYS 58 HG3 LYS 58 7.797 -4.539 -7.188 434 HD2 LYS 58 HD2 LYS 58 9.109 -5.307 -5.239 435 HD3 LYS 58 HD3 LYS 58 7.839 -4.742 -4.150 436 HE2 LYS 58 HE2 LYS 58 7.666 -7.160 -4.452 437 HE3 LYS 58 HE3 LYS 58 6.265 -6.365 -5.176 438 HZ1 LYS 58 HZ1 LYS 58 7.347 -6.565 -7.339 439 HZ2 LYS 58 HZ2 LYS 58 7.110 -8.073 -6.617 440 HZ3 LYS 58 HZ3 LYS 58 8.647 -7.372 -6.629 441 H ARG 59 H ARG 59 5.675 -1.957 -8.485 442 HA ARG 59 HA ARG 59 3.784 -0.825 -6.506 443 HB2 ARG 59 HB2 ARG 59 3.883 0.381 -8.675 444 HB3 ARG 59 HB3 ARG 59 3.410 -1.094 -9.514 445 HG2 ARG 59 HG2 ARG 59 1.234 -1.080 -8.373 446 HG3 ARG 59 HG3 ARG 59 1.718 0.327 -7.423 447 HD2 ARG 59 HD2 ARG 59 1.345 0.231 -10.427 448 HD3 ARG 59 HD3 ARG 59 0.255 0.990 -9.261 449 HE ARG 59 HE ARG 59 2.843 2.090 -8.979 450 HH11 ARG 59 HH11 ARG 59 0.155 2.157 -11.235 451 HH12 ARG 59 HH12 ARG 59 0.560 3.723 -11.850 452 HH21 ARG 59 HH21 ARG 59 3.392 4.105 -9.827 453 HH22 ARG 59 HH22 ARG 59 2.404 4.834 -11.052 454 H GLY 60 H GLY 60 1.974 -1.953 -5.937 455 HA2 GLY 60 HA2 GLY 60 0.999 -4.319 -7.180 456 HA3 GLY 60 HA3 GLY 60 1.977 -4.726 -5.768 457 H LEU 61 H LEU 61 -0.201 -5.609 -5.203 458 HA LEU 61 HA LEU 61 -2.283 -3.762 -4.437 459 HB2 LEU 61 HB2 LEU 61 -2.019 -6.777 -4.159 460 HB3 LEU 61 HB3 LEU 61 -3.426 -5.877 -3.608 461 HG LEU 61 HG LEU 61 -2.455 -6.026 -6.468 462 HD11 LEU 61 HD11 LEU 61 -4.459 -7.353 -6.905 463 HD12 LEU 61 HD12 LEU 61 -4.859 -7.317 -5.183 464 HD13 LEU 61 HD13 LEU 61 -3.394 -8.136 -5.734 465 HD21 LEU 61 HD21 LEU 61 -4.902 -4.656 -5.328 466 HD22 LEU 61 HD22 LEU 61 -4.566 -4.878 -7.047 467 HD23 LEU 61 HD23 LEU 61 -3.500 -3.875 -6.068 468 H ILE 62 H ILE 62 -2.556 -2.915 -2.585 469 HA ILE 62 HA ILE 62 -1.071 -3.757 -0.179 470 HB ILE 62 HB ILE 62 -1.819 -0.951 -1.127 471 HG12 ILE 62 HG12 ILE 62 0.927 -2.234 -0.766 472 HG13 ILE 62 HG13 ILE 62 0.150 -1.879 -2.306 473 HG21 ILE 62 HG21 ILE 62 -0.453 -1.740 1.458 474 HG22 ILE 62 HG22 ILE 62 -2.087 -1.099 1.304 475 HG23 ILE 62 HG23 ILE 62 -0.701 -0.091 0.888 476 HD11 ILE 62 HD11 ILE 62 1.094 0.130 -0.269 477 HD12 ILE 62 HD12 ILE 62 0.226 0.518 -1.759 478 HD13 ILE 62 HD13 ILE 62 1.817 -0.236 -1.837 479 HA PRO 63 HA PRO 63 -5.318 -3.879 1.491 480 HB2 PRO 63 HB2 PRO 63 -4.007 -4.105 4.161 481 HB3 PRO 63 HB3 PRO 63 -5.100 -5.249 3.351 482 HG2 PRO 63 HG2 PRO 63 -2.484 -5.794 3.668 483 HG3 PRO 63 HG3 PRO 63 -3.396 -6.342 2.243 484 HD2 PRO 63 HD2 PRO 63 -1.511 -3.997 2.483 485 HD3 PRO 63 HD3 PRO 63 -1.681 -5.179 1.164 486 H GLN 64 H GLN 64 -6.366 -2.017 1.647 487 HA GLN 64 HA GLN 64 -5.328 0.534 2.010 488 HB2 GLN 64 HB2 GLN 64 -7.442 0.040 0.868 489 HB3 GLN 64 HB3 GLN 64 -8.176 -0.500 2.373 490 HG2 GLN 64 HG2 GLN 64 -8.150 1.779 3.247 491 HG3 GLN 64 HG3 GLN 64 -7.262 2.343 1.832 492 HE21 GLN 64 HE21 GLN 64 -8.830 3.815 1.203 493 HE22 GLN 64 HE22 GLN 64 -10.369 3.342 0.576 494 H ASN 65 H ASN 65 -6.835 -1.629 4.332 495 HA ASN 65 HA ASN 65 -7.023 -0.053 6.629 496 HB2 ASN 65 HB2 ASN 65 -8.116 -2.220 6.418 497 HB3 ASN 65 HB3 ASN 65 -6.570 -3.040 6.238 498 HD21 ASN 65 HD21 ASN 65 -6.945 -4.423 7.936 499 HD22 ASN 65 HD22 ASN 65 -6.970 -3.918 9.589 500 H TYR 66 H TYR 66 -4.262 -1.744 5.231 501 HA TYR 66 HA TYR 66 -2.582 -1.505 7.580 502 HB2 TYR 66 HB2 TYR 66 -2.079 -2.605 4.791 503 HB3 TYR 66 HB3 TYR 66 -0.803 -2.494 6.001 504 HD1 TYR 66 HD2 TYR 66 -3.954 -3.284 7.579 505 HD2 TYR 66 HD1 TYR 66 -0.721 -5.037 5.399 506 HE1 TYR 66 HE2 TYR 66 -4.562 -5.489 8.454 507 HE2 TYR 66 HE1 TYR 66 -1.334 -7.252 6.281 508 HH TYR 66 HH TYR 66 -2.511 -8.203 8.204 509 H VAL 67 H VAL 67 -3.387 0.677 5.146 510 HA VAL 67 HA VAL 67 -0.936 2.264 5.692 511 HB VAL 67 HB VAL 67 -1.051 3.237 3.410 512 HG11 VAL 67 HG11 VAL 67 -0.704 0.226 3.466 513 HG12 VAL 67 HG12 VAL 67 0.518 1.437 3.861 514 HG13 VAL 67 HG13 VAL 67 -0.092 1.312 2.211 515 HG21 VAL 67 HG21 VAL 67 -3.416 2.847 2.883 516 HG22 VAL 67 HG22 VAL 67 -3.149 1.103 2.843 517 HG23 VAL 67 HG23 VAL 67 -2.391 2.145 1.629 518 H LYS 68 H LYS 68 -1.205 4.564 5.182 519 HA LYS 68 HA LYS 68 -3.876 5.665 5.816 520 HB2 LYS 68 HB2 LYS 68 -2.356 5.553 7.850 521 HB3 LYS 68 HB3 LYS 68 -1.232 6.614 7.008 522 HG2 LYS 68 HG2 LYS 68 -3.278 8.242 6.815 523 HG3 LYS 68 HG3 LYS 68 -3.989 7.228 8.075 524 HD2 LYS 68 HD2 LYS 68 -2.897 9.200 9.056 525 HD3 LYS 68 HD3 LYS 68 -2.072 7.721 9.555 526 HE2 LYS 68 HE2 LYS 68 -0.274 8.124 7.970 527 HE3 LYS 68 HE3 LYS 68 -1.146 9.486 7.263 528 HZ1 LYS 68 HZ1 LYS 68 0.562 10.268 8.747 529 HZ2 LYS 68 HZ2 LYS 68 -0.055 9.360 10.023 530 HZ3 LYS 68 HZ3 LYS 68 -0.950 10.643 9.394 531 H LEU 69 H LEU 69 -4.402 6.873 4.064 532 HA LEU 69 HA LEU 69 -2.538 7.674 2.075 533 HB2 LEU 69 HB2 LEU 69 -5.454 8.427 2.510 534 HB3 LEU 69 HB3 LEU 69 -4.547 8.778 1.044 535 HG LEU 69 HG LEU 69 -5.093 5.973 2.090 536 HD11 LEU 69 HD11 LEU 69 -6.695 5.744 0.256 537 HD12 LEU 69 HD12 LEU 69 -6.458 7.440 -0.180 538 HD13 LEU 69 HD13 LEU 69 -7.175 7.018 1.377 539 HD21 LEU 69 HD21 LEU 69 -3.853 6.917 -0.508 540 HD22 LEU 69 HD22 LEU 69 -4.283 5.248 -0.128 541 HD23 LEU 69 HD23 LEU 69 -3.040 6.067 0.810 542 H LEU 70 H LEU 70 -1.131 9.266 2.306 543 HA LEU 70 HA LEU 70 -1.329 11.355 4.257 544 HB2 LEU 70 HB2 LEU 70 0.654 11.050 1.959 545 HB3 LEU 70 HB3 LEU 70 0.845 12.098 3.355 546 HG LEU 70 HG LEU 70 0.824 9.056 3.413 547 HD11 LEU 70 HD11 LEU 70 3.193 9.196 3.974 548 HD12 LEU 70 HD12 LEU 70 3.152 10.956 3.815 549 HD13 LEU 70 HD13 LEU 70 2.866 9.931 2.405 550 HD21 LEU 70 HD21 LEU 70 1.458 9.251 5.779 551 HD22 LEU 70 HD22 LEU 70 -0.130 9.941 5.468 552 HD23 LEU 70 HD23 LEU 70 1.262 11.005 5.695 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -2.388 6.308 -17.747 2 H2 MET 1 H2 MET 1 -2.373 5.156 -18.981 3 H3 MET 1 H3 MET 1 -2.436 4.673 -17.362 4 HA MET 1 HA MET 1 -4.564 4.442 -18.417 5 HB2 MET 1 HB2 MET 1 -4.280 5.059 -15.947 6 HB3 MET 1 HB3 MET 1 -4.587 6.728 -16.395 7 HG2 MET 1 HG2 MET 1 -6.565 4.487 -16.877 8 HG3 MET 1 HG3 MET 1 -6.548 5.474 -15.419 9 HE1 MET 1 HE1 MET 1 -9.096 6.033 -15.782 10 HE2 MET 1 HE2 MET 1 -9.185 5.129 -17.298 11 HE3 MET 1 HE3 MET 1 -9.748 6.800 -17.229 12 H GLY 2 H GLY 2 -6.058 5.244 -19.866 13 HA2 GLY 2 HA2 GLY 2 -7.236 6.718 -21.160 14 HA3 GLY 2 HA3 GLY 2 -6.421 8.054 -20.366 15 H HIS 3 H HIS 3 -5.602 5.368 -22.611 16 HA HIS 3 HA HIS 3 -3.646 6.902 -24.056 17 HB2 HIS 3 HB2 HIS 3 -3.598 4.384 -23.859 18 HB3 HIS 3 HB3 HIS 3 -5.024 4.301 -24.888 19 HD1 HIS 3 HD1 HIS 3 -1.331 4.918 -24.966 20 HD2 HIS 3 HD2 HIS 3 -4.509 4.742 -27.640 21 HE1 HIS 3 HE1 HIS 3 -0.302 4.887 -27.255 22 HE2 HIS 3 HE2 HIS 3 -2.244 4.933 -28.842 23 H HIS 4 H HIS 4 -6.935 5.741 -24.758 24 HA HIS 4 HA HIS 4 -7.405 8.050 -26.554 25 HB2 HIS 4 HB2 HIS 4 -6.872 5.982 -27.921 26 HB3 HIS 4 HB3 HIS 4 -8.261 5.185 -27.199 27 HD1 HIS 4 HD1 HIS 4 -10.339 5.321 -28.567 28 HD2 HIS 4 HD2 HIS 4 -7.749 8.469 -29.388 29 HE1 HIS 4 HE1 HIS 4 -11.429 6.636 -30.410 30 HE2 HIS 4 HE2 HIS 4 -9.911 8.605 -30.780 31 H HIS 5 H HIS 5 -8.118 6.996 -23.734 32 HA HIS 5 HA HIS 5 -10.877 6.385 -23.618 33 HB2 HIS 5 HB2 HIS 5 -9.249 5.873 -21.806 34 HB3 HIS 5 HB3 HIS 5 -9.057 7.593 -21.486 35 HD1 HIS 5 HD1 HIS 5 -10.999 8.790 -20.237 36 HD2 HIS 5 HD2 HIS 5 -11.562 4.700 -20.742 37 HE1 HIS 5 HE1 HIS 5 -12.886 8.165 -18.711 38 HE2 HIS 5 HE2 HIS 5 -13.117 5.681 -18.943 39 H HIS 6 H HIS 6 -12.363 7.780 -24.450 40 HA HIS 6 HA HIS 6 -12.136 10.621 -24.446 41 HB2 HIS 6 HB2 HIS 6 -14.452 10.695 -25.253 42 HB3 HIS 6 HB3 HIS 6 -13.559 9.452 -26.118 43 HD1 HIS 6 HD1 HIS 6 -16.245 9.854 -23.485 44 HD2 HIS 6 HD2 HIS 6 -14.682 6.898 -25.948 45 HE1 HIS 6 HE1 HIS 6 -17.786 7.894 -23.255 46 HE2 HIS 6 HE2 HIS 6 -16.762 6.093 -24.662 47 H HIS 7 H HIS 7 -13.178 12.131 -23.188 48 HA HIS 7 HA HIS 7 -13.766 13.193 -21.320 49 HB2 HIS 7 HB2 HIS 7 -15.056 10.583 -20.433 50 HB3 HIS 7 HB3 HIS 7 -15.240 12.121 -19.601 51 HD1 HIS 7 HD1 HIS 7 -17.644 10.508 -20.701 52 HD2 HIS 7 HD2 HIS 7 -15.801 13.664 -22.691 53 HE1 HIS 7 HE1 HIS 7 -19.377 11.430 -22.270 54 HE2 HIS 7 HE2 HIS 7 -18.206 13.270 -23.521 55 H HIS 8 H HIS 8 -12.128 13.783 -20.089 56 HA HIS 8 HA HIS 8 -11.316 12.123 -17.840 57 HB2 HIS 8 HB2 HIS 8 -9.497 11.708 -19.495 58 HB3 HIS 8 HB3 HIS 8 -9.274 13.440 -19.712 59 HD1 HIS 8 HD1 HIS 8 -8.685 10.677 -17.207 60 HD2 HIS 8 HD2 HIS 8 -7.658 14.663 -17.776 61 HE1 HIS 8 HE1 HIS 8 -6.929 11.180 -15.492 62 HE2 HIS 8 HE2 HIS 8 -6.444 13.629 -15.755 63 H SER 9 H SER 9 -12.583 13.466 -16.640 64 HA SER 9 HA SER 9 -12.439 16.355 -16.756 65 HB2 SER 9 HB2 SER 9 -13.843 14.534 -14.748 66 HB3 SER 9 HB3 SER 9 -14.139 16.261 -14.980 67 HG SER 9 HG SER 9 -14.841 15.772 -17.113 68 H HIS 10 H HIS 10 -12.248 17.508 -14.472 69 HA HIS 10 HA HIS 10 -9.544 17.227 -13.689 70 HB2 HIS 10 HB2 HIS 10 -10.627 19.423 -13.613 71 HB3 HIS 10 HB3 HIS 10 -11.764 18.856 -12.393 72 HD1 HIS 10 HD1 HIS 10 -11.046 18.989 -9.964 73 HD2 HIS 10 HD2 HIS 10 -7.891 19.659 -12.597 74 HE1 HIS 10 HE1 HIS 10 -9.107 19.703 -8.535 75 HE2 HIS 10 HE2 HIS 10 -7.219 20.102 -10.145 76 H MET 11 H MET 11 -9.224 15.151 -12.921 77 HA MET 11 HA MET 11 -9.927 14.771 -10.081 78 HB2 MET 11 HB2 MET 11 -11.304 13.207 -11.507 79 HB3 MET 11 HB3 MET 11 -9.819 12.515 -12.153 80 HG2 MET 11 HG2 MET 11 -9.182 11.764 -9.883 81 HG3 MET 11 HG3 MET 11 -10.662 12.469 -9.233 82 HE1 MET 11 HE1 MET 11 -12.691 11.704 -11.686 83 HE2 MET 11 HE2 MET 11 -13.132 11.590 -9.980 84 HE3 MET 11 HE3 MET 11 -13.367 10.209 -11.047 85 H ILE 12 H ILE 12 -8.089 14.705 -8.949 86 HA ILE 12 HA ILE 12 -5.503 14.513 -10.154 87 HB ILE 12 HB ILE 12 -4.668 14.522 -7.736 88 HG12 ILE 12 HG12 ILE 12 -6.506 15.301 -6.025 89 HG13 ILE 12 HG13 ILE 12 -7.659 14.571 -7.131 90 HG21 ILE 12 HG21 ILE 12 -6.579 16.750 -8.527 91 HG22 ILE 12 HG22 ILE 12 -4.896 16.588 -9.040 92 HG23 ILE 12 HG23 ILE 12 -5.273 16.880 -7.342 93 HD11 ILE 12 HD11 ILE 12 -7.050 13.152 -5.215 94 HD12 ILE 12 HD12 ILE 12 -5.387 13.109 -5.796 95 HD13 ILE 12 HD13 ILE 12 -6.680 12.400 -6.765 96 H ARG 13 H ARG 13 -3.856 12.979 -9.330 97 HA ARG 13 HA ARG 13 -4.826 10.268 -8.676 98 HB2 ARG 13 HB2 ARG 13 -3.219 9.312 -10.329 99 HB3 ARG 13 HB3 ARG 13 -4.488 10.247 -11.114 100 HG2 ARG 13 HG2 ARG 13 -2.966 12.110 -11.504 101 HG3 ARG 13 HG3 ARG 13 -1.709 11.346 -10.531 102 HD2 ARG 13 HD2 ARG 13 -2.801 10.206 -13.126 103 HD3 ARG 13 HD3 ARG 13 -1.319 11.161 -12.996 104 HE ARG 13 HE ARG 13 -0.774 9.236 -11.258 105 HH11 ARG 13 HH11 ARG 13 -2.171 8.912 -14.472 106 HH12 ARG 13 HH12 ARG 13 -1.506 7.328 -14.723 107 HH21 ARG 13 HH21 ARG 13 0.100 7.171 -11.628 108 HH22 ARG 13 HH22 ARG 13 -0.226 6.344 -13.116 109 H SER 14 H SER 14 -2.702 8.888 -8.285 110 HA SER 14 HA SER 14 -0.767 8.447 -7.231 111 HB2 SER 14 HB2 SER 14 0.005 11.181 -8.331 112 HB3 SER 14 HB3 SER 14 1.150 9.988 -7.713 113 HG SER 14 HG SER 14 0.735 8.679 -9.404 114 H ARG 15 H ARG 15 -2.248 8.725 -5.277 115 HA ARG 15 HA ARG 15 -1.529 10.802 -3.415 116 HB2 ARG 15 HB2 ARG 15 -2.902 8.122 -2.921 117 HB3 ARG 15 HB3 ARG 15 -2.683 9.391 -1.712 118 HG2 ARG 15 HG2 ARG 15 -3.971 10.923 -3.353 119 HG3 ARG 15 HG3 ARG 15 -4.442 9.433 -4.175 120 HD2 ARG 15 HD2 ARG 15 -5.526 8.616 -2.149 121 HD3 ARG 15 HD3 ARG 15 -4.924 10.005 -1.233 122 HE ARG 15 HE ARG 15 -6.634 10.585 -3.529 123 HH11 ARG 15 HH11 ARG 15 -6.489 10.196 -0.035 124 HH12 ARG 15 HH12 ARG 15 -7.967 11.063 0.243 125 HH21 ARG 15 HH21 ARG 15 -8.550 11.776 -3.130 126 HH22 ARG 15 HH22 ARG 15 -9.126 11.955 -1.502 127 H LYS 16 H LYS 16 -0.501 10.225 -1.305 128 HA LYS 16 HA LYS 16 1.654 8.211 -1.558 129 HB2 LYS 16 HB2 LYS 16 1.395 10.577 0.354 130 HB3 LYS 16 HB3 LYS 16 2.742 9.437 0.321 131 HG2 LYS 16 HG2 LYS 16 3.375 10.170 -1.917 132 HG3 LYS 16 HG3 LYS 16 1.962 11.227 -2.003 133 HD2 LYS 16 HD2 LYS 16 3.923 12.570 -1.506 134 HD3 LYS 16 HD3 LYS 16 2.869 12.550 -0.089 135 HE2 LYS 16 HE2 LYS 16 5.262 12.307 0.511 136 HE3 LYS 16 HE3 LYS 16 4.334 10.878 0.983 137 HZ1 LYS 16 HZ1 LYS 16 5.144 9.743 -0.995 138 HZ2 LYS 16 HZ2 LYS 16 6.451 10.313 -0.087 139 HZ3 LYS 16 HZ3 LYS 16 5.981 11.128 -1.489 140 H ALA 17 H ALA 17 2.122 7.082 0.530 141 HA ALA 17 HA ALA 17 -0.083 6.880 2.437 142 HB1 ALA 17 HB1 ALA 17 0.911 4.434 0.915 143 HB2 ALA 17 HB2 ALA 17 -0.675 5.182 0.732 144 HB3 ALA 17 HB3 ALA 17 -0.236 4.414 2.260 145 H ARG 18 H ARG 18 0.623 6.336 4.437 146 HA ARG 18 HA ARG 18 3.438 5.498 4.815 147 HB2 ARG 18 HB2 ARG 18 2.948 7.672 5.883 148 HB3 ARG 18 HB3 ARG 18 1.554 6.983 6.710 149 HG2 ARG 18 HG2 ARG 18 3.106 5.464 7.970 150 HG3 ARG 18 HG3 ARG 18 4.470 6.268 7.186 151 HD2 ARG 18 HD2 ARG 18 3.864 8.391 8.240 152 HD3 ARG 18 HD3 ARG 18 2.414 7.656 8.927 153 HE ARG 18 HE ARG 18 5.050 6.589 9.667 154 HH11 ARG 18 HH11 ARG 18 2.112 8.270 10.618 155 HH12 ARG 18 HH12 ARG 18 2.431 8.137 12.318 156 HH21 ARG 18 HH21 ARG 18 5.494 6.443 11.899 157 HH22 ARG 18 HH22 ARG 18 4.366 7.094 13.044 158 H ALA 19 H ALA 19 3.590 3.401 5.313 159 HA ALA 19 HA ALA 19 1.422 1.727 6.016 160 HB1 ALA 19 HB1 ALA 19 3.180 0.046 6.519 161 HB2 ALA 19 HB2 ALA 19 4.411 1.308 6.402 162 HB3 ALA 19 HB3 ALA 19 3.473 0.855 4.978 163 H VAL 20 H VAL 20 0.346 1.850 7.861 164 HA VAL 20 HA VAL 20 1.602 2.781 10.361 165 HB VAL 20 HB VAL 20 -0.765 3.050 11.186 166 HG11 VAL 20 HG11 VAL 20 0.462 4.975 10.258 167 HG12 VAL 20 HG12 VAL 20 -1.256 5.090 9.879 168 HG13 VAL 20 HG13 VAL 20 -0.115 4.581 8.633 169 HG21 VAL 20 HG21 VAL 20 -1.924 1.417 9.735 170 HG22 VAL 20 HG22 VAL 20 -1.564 2.395 8.312 171 HG23 VAL 20 HG23 VAL 20 -2.650 3.019 9.557 172 H TYR 21 H TYR 21 0.400 -0.028 8.794 173 HA TYR 21 HA TYR 21 1.099 -1.664 11.151 174 HB2 TYR 21 HB2 TYR 21 -1.190 -2.220 9.185 175 HB3 TYR 21 HB3 TYR 21 -0.663 -3.307 10.464 176 HD1 TYR 21 HD2 TYR 21 -0.698 -2.272 12.914 177 HD2 TYR 21 HD1 TYR 21 -3.014 -0.788 9.643 178 HE1 TYR 21 HE2 TYR 21 -2.239 -1.194 14.493 179 HE2 TYR 21 HE1 TYR 21 -4.555 0.292 11.224 180 HH TYR 21 HH TYR 21 -3.845 0.610 14.567 181 HA PRO 22 HA PRO 22 3.645 -3.654 7.981 182 HB2 PRO 22 HB2 PRO 22 4.382 -5.947 9.238 183 HB3 PRO 22 HB3 PRO 22 4.936 -4.360 9.816 184 HG2 PRO 22 HG2 PRO 22 2.741 -6.090 10.898 185 HG3 PRO 22 HG3 PRO 22 3.957 -5.140 11.779 186 HD2 PRO 22 HD2 PRO 22 1.342 -4.297 11.328 187 HD3 PRO 22 HD3 PRO 22 2.700 -3.205 11.669 188 H CYS 23 H CYS 23 3.691 -5.508 6.505 189 HA CYS 23 HA CYS 23 1.576 -7.492 6.526 190 HB2 CYS 23 HB2 CYS 23 0.380 -5.563 5.542 191 HB3 CYS 23 HB3 CYS 23 1.650 -5.367 4.342 192 HG CYS 23 HG CYS 23 1.052 -7.498 2.839 193 H GLU 24 H GLU 24 2.665 -9.277 5.924 194 HA GLU 24 HA GLU 24 4.885 -9.300 4.078 195 HB2 GLU 24 HB2 GLU 24 3.136 -11.577 5.115 196 HB3 GLU 24 HB3 GLU 24 4.610 -11.795 4.182 197 HG2 GLU 24 HG2 GLU 24 4.431 -10.575 6.951 198 HG3 GLU 24 HG3 GLU 24 4.939 -12.221 6.582 199 H ALA 25 H ALA 25 4.795 -10.379 1.970 200 HA ALA 25 HA ALA 25 2.153 -10.277 0.626 201 HB1 ALA 25 HB1 ALA 25 3.432 -10.320 -1.480 202 HB2 ALA 25 HB2 ALA 25 4.947 -10.402 -0.575 203 HB3 ALA 25 HB3 ALA 25 3.927 -8.964 -0.462 204 H GLU 26 H GLU 26 1.143 -12.196 0.792 205 HA GLU 26 HA GLU 26 2.683 -14.714 0.471 206 HB2 GLU 26 HB2 GLU 26 0.677 -15.876 1.319 207 HB3 GLU 26 HB3 GLU 26 1.283 -14.683 2.460 208 HG2 GLU 26 HG2 GLU 26 -0.501 -13.121 1.801 209 HG3 GLU 26 HG3 GLU 26 -1.098 -14.297 0.628 210 H HIS 27 H HIS 27 0.522 -12.595 -1.166 211 HA HIS 27 HA HIS 27 0.397 -14.473 -3.466 212 HB2 HIS 27 HB2 HIS 27 -1.186 -11.894 -2.960 213 HB3 HIS 27 HB3 HIS 27 -1.314 -12.897 -4.403 214 HD2 HIS 27 HD2 HIS 27 -2.370 -12.999 -0.620 215 HE1 HIS 27 HE1 HIS 27 -4.456 -15.990 -2.746 216 HE2 HIS 27 HE2 HIS 27 -4.368 -14.644 -0.612 217 H SER 28 H SER 28 1.242 -13.765 -5.440 218 HA SER 28 HA SER 28 3.486 -11.944 -5.273 219 HB2 SER 28 HB2 SER 28 3.569 -14.153 -6.456 220 HB3 SER 28 HB3 SER 28 2.454 -13.523 -7.665 221 HG SER 28 HG SER 28 5.138 -12.826 -7.151 222 H SER 29 H SER 29 0.509 -11.050 -5.338 223 HA SER 29 HA SER 29 0.738 -8.883 -7.324 224 HB2 SER 29 HB2 SER 29 -1.675 -9.795 -5.683 225 HB3 SER 29 HB3 SER 29 -1.677 -8.599 -6.983 226 HG SER 29 HG SER 29 -0.597 -11.004 -7.732 227 H GLU 30 H GLU 30 0.609 -9.659 -3.914 228 HA GLU 30 HA GLU 30 -0.104 -7.030 -2.933 229 HB2 GLU 30 HB2 GLU 30 0.949 -9.477 -1.430 230 HB3 GLU 30 HB3 GLU 30 0.164 -8.078 -0.715 231 HG2 GLU 30 HG2 GLU 30 -1.940 -8.639 -1.813 232 HG3 GLU 30 HG3 GLU 30 -1.169 -9.994 -2.642 233 H LEU 31 H LEU 31 1.261 -5.533 -1.953 234 HA LEU 31 HA LEU 31 4.144 -5.812 -2.309 235 HB2 LEU 31 HB2 LEU 31 2.510 -3.535 -1.112 236 HB3 LEU 31 HB3 LEU 31 4.258 -3.507 -1.321 237 HG LEU 31 HG LEU 31 2.181 -3.623 -3.525 238 HD11 LEU 31 HD11 LEU 31 3.024 -1.423 -4.170 239 HD12 LEU 31 HD12 LEU 31 4.150 -1.438 -2.809 240 HD13 LEU 31 HD13 LEU 31 2.408 -1.409 -2.519 241 HD21 LEU 31 HD21 LEU 31 5.194 -3.654 -3.808 242 HD22 LEU 31 HD22 LEU 31 4.032 -3.466 -5.126 243 HD23 LEU 31 HD23 LEU 31 4.078 -4.966 -4.207 244 H SER 32 H SER 32 5.558 -6.191 -0.794 245 HA SER 32 HA SER 32 4.715 -6.953 1.923 246 HB2 SER 32 HB2 SER 32 7.061 -7.919 2.054 247 HB3 SER 32 HB3 SER 32 6.072 -8.624 0.778 248 HG SER 32 HG SER 32 7.948 -6.520 0.377 249 H PHE 33 H PHE 33 5.298 -5.730 3.680 250 HA PHE 33 HA PHE 33 7.249 -3.654 3.653 251 HB2 PHE 33 HB2 PHE 33 5.687 -1.728 3.904 252 HB3 PHE 33 HB3 PHE 33 5.593 -2.470 2.319 253 HD1 PHE 33 HD1 PHE 33 3.763 -1.879 5.487 254 HD2 PHE 33 HD2 PHE 33 3.546 -3.593 1.564 255 HE1 PHE 33 HE1 PHE 33 1.307 -1.948 5.643 256 HE2 PHE 33 HE2 PHE 33 1.093 -3.659 1.740 257 HZ PHE 33 HZ PHE 33 -0.026 -2.830 3.774 258 H GLU 34 H GLU 34 6.869 -2.173 5.582 259 HA GLU 34 HA GLU 34 5.543 -3.413 7.879 260 HB2 GLU 34 HB2 GLU 34 7.470 -3.367 9.297 261 HB3 GLU 34 HB3 GLU 34 7.947 -4.228 7.848 262 HG2 GLU 34 HG2 GLU 34 8.680 -1.381 8.593 263 HG3 GLU 34 HG3 GLU 34 9.744 -2.784 8.610 264 H ILE 35 H ILE 35 6.004 -1.746 9.829 265 HA ILE 35 HA ILE 35 4.579 0.594 9.118 266 HB ILE 35 HB ILE 35 6.129 0.075 11.699 267 HG12 ILE 35 HG12 ILE 35 3.198 -0.486 11.051 268 HG13 ILE 35 HG13 ILE 35 4.457 -1.711 11.151 269 HG21 ILE 35 HG21 ILE 35 3.839 2.014 11.155 270 HG22 ILE 35 HG22 ILE 35 5.527 2.463 11.411 271 HG23 ILE 35 HG23 ILE 35 4.601 1.732 12.722 272 HD11 ILE 35 HD11 ILE 35 3.132 -1.708 13.147 273 HD12 ILE 35 HD12 ILE 35 3.457 0.004 13.422 274 HD13 ILE 35 HD13 ILE 35 4.769 -1.178 13.527 275 H GLY 36 H GLY 36 5.276 2.420 8.257 276 HA2 GLY 36 HA2 GLY 36 6.713 4.392 8.502 277 HA3 GLY 36 HA3 GLY 36 8.093 3.314 8.605 278 H ALA 37 H ALA 37 6.782 1.614 6.444 279 HA ALA 37 HA ALA 37 8.199 2.489 4.232 280 HB1 ALA 37 HB1 ALA 37 7.443 0.153 4.538 281 HB2 ALA 37 HB2 ALA 37 6.957 0.781 2.963 282 HB3 ALA 37 HB3 ALA 37 5.773 0.654 4.267 283 H ILE 38 H ILE 38 7.868 4.357 3.223 284 HA ILE 38 HA ILE 38 5.224 5.493 2.799 285 HB ILE 38 HB ILE 38 7.919 6.563 1.849 286 HG12 ILE 38 HG12 ILE 38 7.850 6.525 4.302 287 HG13 ILE 38 HG13 ILE 38 7.718 8.186 3.746 288 HG21 ILE 38 HG21 ILE 38 5.195 7.933 1.925 289 HG22 ILE 38 HG22 ILE 38 6.084 7.454 0.477 290 HG23 ILE 38 HG23 ILE 38 6.724 8.721 1.522 291 HD11 ILE 38 HD11 ILE 38 5.465 6.455 4.756 292 HD12 ILE 38 HD12 ILE 38 5.296 8.118 4.182 293 HD13 ILE 38 HD13 ILE 38 6.260 7.770 5.616 294 H PHE 39 H PHE 39 4.057 5.238 1.060 295 HA PHE 39 HA PHE 39 5.136 4.025 -1.398 296 HB2 PHE 39 HB2 PHE 39 2.226 4.244 -0.480 297 HB3 PHE 39 HB3 PHE 39 2.815 3.369 -1.886 298 HD1 PHE 39 HD2 PHE 39 2.863 3.423 1.838 299 HD2 PHE 39 HD1 PHE 39 3.543 1.095 -1.700 300 HE1 PHE 39 HE2 PHE 39 3.057 1.396 3.196 301 HE2 PHE 39 HE1 PHE 39 3.721 -0.921 -0.307 302 HZ PHE 39 HZ PHE 39 3.479 -0.755 2.124 303 H GLU 40 H GLU 40 4.514 4.928 -3.377 304 HA GLU 40 HA GLU 40 3.273 7.613 -3.437 305 HB2 GLU 40 HB2 GLU 40 5.654 6.639 -5.085 306 HB3 GLU 40 HB3 GLU 40 4.856 8.191 -5.287 307 HG2 GLU 40 HG2 GLU 40 5.581 8.902 -3.057 308 HG3 GLU 40 HG3 GLU 40 6.268 7.311 -2.743 309 H ASP 41 H ASP 41 2.109 8.037 -5.444 310 HA ASP 41 HA ASP 41 0.827 7.607 -7.266 311 HB2 ASP 41 HB2 ASP 41 2.923 6.661 -8.275 312 HB3 ASP 41 HB3 ASP 41 2.492 5.077 -7.643 313 H VAL 42 H VAL 42 0.134 6.681 -4.601 314 HA VAL 42 HA VAL 42 -1.166 4.116 -4.825 315 HB VAL 42 HB VAL 42 -1.647 6.085 -2.560 316 HG11 VAL 42 HG11 VAL 42 -1.773 3.044 -2.725 317 HG12 VAL 42 HG12 VAL 42 -3.147 4.143 -2.597 318 HG13 VAL 42 HG13 VAL 42 -2.018 3.989 -1.251 319 HG21 VAL 42 HG21 VAL 42 0.785 5.879 -2.831 320 HG22 VAL 42 HG22 VAL 42 0.655 4.118 -2.796 321 HG23 VAL 42 HG23 VAL 42 0.247 5.061 -1.360 322 H GLN 43 H GLN 43 -3.131 3.732 -5.442 323 HA GLN 43 HA GLN 43 -5.217 5.783 -5.767 324 HB2 GLN 43 HB2 GLN 43 -4.286 3.838 -7.951 325 HB3 GLN 43 HB3 GLN 43 -5.633 4.962 -8.094 326 HG2 GLN 43 HG2 GLN 43 -4.128 6.871 -8.043 327 HG3 GLN 43 HG3 GLN 43 -2.751 5.830 -7.682 328 HE21 GLN 43 HE21 GLN 43 -1.535 6.403 -9.450 329 HE22 GLN 43 HE22 GLN 43 -1.985 6.028 -11.076 330 H THR 44 H THR 44 -7.355 4.517 -6.433 331 HA THR 44 HA THR 44 -7.664 2.167 -4.745 332 HB THR 44 HB THR 44 -9.707 3.344 -6.666 333 HG1 THR 44 HG1 THR 44 -8.879 4.184 -4.133 334 HG21 THR 44 HG21 THR 44 -10.291 1.095 -5.818 335 HG22 THR 44 HG22 THR 44 -11.371 2.324 -5.155 336 HG23 THR 44 HG23 THR 44 -10.068 1.672 -4.160 337 H SER 45 H SER 45 -8.087 0.066 -5.501 338 HA SER 45 HA SER 45 -6.969 -0.630 -8.110 339 HB2 SER 45 HB2 SER 45 -6.298 -1.873 -6.053 340 HB3 SER 45 HB3 SER 45 -7.966 -2.397 -5.821 341 HG SER 45 HG SER 45 -6.082 -3.202 -7.756 342 H ARG 46 H ARG 46 -8.173 -2.627 -9.154 343 HA ARG 46 HA ARG 46 -10.793 -2.051 -10.039 344 HB2 ARG 46 HB2 ARG 46 -10.781 -4.374 -10.920 345 HB3 ARG 46 HB3 ARG 46 -9.298 -3.512 -11.310 346 HG2 ARG 46 HG2 ARG 46 -8.058 -4.719 -9.632 347 HG3 ARG 46 HG3 ARG 46 -9.527 -5.466 -8.995 348 HD2 ARG 46 HD2 ARG 46 -8.420 -5.903 -11.791 349 HD3 ARG 46 HD3 ARG 46 -8.184 -6.994 -10.424 350 HE ARG 46 HE ARG 46 -10.777 -6.428 -11.745 351 HH11 ARG 46 HH11 ARG 46 -8.795 -8.570 -9.764 352 HH12 ARG 46 HH12 ARG 46 -9.979 -9.834 -9.737 353 HH21 ARG 46 HH21 ARG 46 -12.322 -8.091 -11.676 354 HH22 ARG 46 HH22 ARG 46 -11.977 -9.563 -10.820 355 H GLU 47 H GLU 47 -9.522 -3.810 -7.306 356 HA GLU 47 HA GLU 47 -12.087 -4.924 -6.448 357 HB2 GLU 47 HB2 GLU 47 -9.262 -5.096 -5.306 358 HB3 GLU 47 HB3 GLU 47 -10.664 -5.891 -4.596 359 HG2 GLU 47 HG2 GLU 47 -10.956 -7.279 -6.568 360 HG3 GLU 47 HG3 GLU 47 -9.672 -6.419 -7.415 361 HA PRO 48 HA PRO 48 -12.667 -1.196 -3.766 362 HB2 PRO 48 HB2 PRO 48 -15.186 -2.629 -3.010 363 HB3 PRO 48 HB3 PRO 48 -14.982 -0.995 -3.673 364 HG2 PRO 48 HG2 PRO 48 -16.019 -2.970 -5.161 365 HG3 PRO 48 HG3 PRO 48 -14.971 -1.725 -5.879 366 HD2 PRO 48 HD2 PRO 48 -14.257 -4.557 -5.092 367 HD3 PRO 48 HD3 PRO 48 -13.798 -3.645 -6.549 368 H GLY 49 H GLY 49 -11.093 -1.644 -2.293 369 HA2 GLY 49 HA2 GLY 49 -11.093 -2.240 0.223 370 HA3 GLY 49 HA3 GLY 49 -11.355 -3.876 -0.363 371 H TRP 50 H TRP 50 -9.613 -2.887 -2.749 372 HA TRP 50 HA TRP 50 -6.946 -3.098 -1.465 373 HB2 TRP 50 HB2 TRP 50 -7.962 -4.076 -4.179 374 HB3 TRP 50 HB3 TRP 50 -6.243 -3.935 -3.818 375 HD1 TRP 50 HD1 TRP 50 -9.205 -6.213 -3.183 376 HE1 TRP 50 HE1 TRP 50 -8.424 -8.261 -1.863 377 HE3 TRP 50 HE3 TRP 50 -4.503 -4.633 -2.017 378 HZ2 TRP 50 HZ2 TRP 50 -6.106 -9.078 -0.439 379 HZ3 TRP 50 HZ3 TRP 50 -3.067 -6.082 -0.646 380 HH2 TRP 50 HH2 TRP 50 -3.850 -8.261 0.125 381 H LEU 51 H LEU 51 -5.238 -1.930 -2.414 382 HA LEU 51 HA LEU 51 -5.921 0.460 -4.009 383 HB2 LEU 51 HB2 LEU 51 -3.876 0.245 -1.764 384 HB3 LEU 51 HB3 LEU 51 -4.148 1.674 -2.756 385 HG LEU 51 HG LEU 51 -6.079 0.463 -0.743 386 HD11 LEU 51 HD11 LEU 51 -5.783 2.543 0.492 387 HD12 LEU 51 HD12 LEU 51 -4.601 3.100 -0.694 388 HD13 LEU 51 HD13 LEU 51 -4.258 1.680 0.301 389 HD21 LEU 51 HD21 LEU 51 -6.521 2.863 -2.550 390 HD22 LEU 51 HD22 LEU 51 -7.561 2.376 -1.208 391 HD23 LEU 51 HD23 LEU 51 -7.384 1.322 -2.606 392 H GLU 52 H GLU 52 -4.062 1.218 -5.330 393 HA GLU 52 HA GLU 52 -1.942 -0.802 -5.798 394 HB2 GLU 52 HB2 GLU 52 -3.456 0.846 -7.860 395 HB3 GLU 52 HB3 GLU 52 -1.979 -0.049 -8.219 396 HG2 GLU 52 HG2 GLU 52 -3.077 -2.160 -7.697 397 HG3 GLU 52 HG3 GLU 52 -4.539 -1.303 -7.199 398 H GLY 53 H GLY 53 0.074 0.016 -5.706 399 HA2 GLY 53 HA2 GLY 53 0.772 2.728 -6.346 400 HA3 GLY 53 HA3 GLY 53 0.717 2.465 -4.600 401 H THR 54 H THR 54 3.063 3.151 -5.369 402 HA THR 54 HA THR 54 4.685 0.810 -6.072 403 HB THR 54 HB THR 54 5.427 3.751 -6.429 404 HG1 THR 54 HG1 THR 54 3.656 3.362 -7.759 405 HG21 THR 54 HG21 THR 54 6.557 1.223 -7.709 406 HG22 THR 54 HG22 THR 54 7.337 2.138 -6.413 407 HG23 THR 54 HG23 THR 54 7.107 2.866 -8.010 408 H LEU 55 H LEU 55 6.173 0.170 -4.648 409 HA LEU 55 HA LEU 55 6.999 1.869 -2.366 410 HB2 LEU 55 HB2 LEU 55 5.588 -0.109 -1.713 411 HB3 LEU 55 HB3 LEU 55 6.765 -1.172 -2.466 412 HG LEU 55 HG LEU 55 8.489 -0.455 -0.800 413 HD11 LEU 55 HD11 LEU 55 7.687 1.805 -0.338 414 HD12 LEU 55 HD12 LEU 55 7.873 0.885 1.152 415 HD13 LEU 55 HD13 LEU 55 6.262 1.156 0.476 416 HD21 LEU 55 HD21 LEU 55 5.928 -1.441 0.475 417 HD22 LEU 55 HD22 LEU 55 7.559 -1.617 1.133 418 HD23 LEU 55 HD23 LEU 55 7.118 -2.435 -0.365 419 H ASN 56 H ASN 56 8.960 2.598 -2.897 420 HA ASN 56 HA ASN 56 11.089 2.833 -3.537 421 HB2 ASN 56 HB2 ASN 56 11.301 -0.187 -3.671 422 HB3 ASN 56 HB3 ASN 56 12.647 0.936 -3.713 423 HD21 ASN 56 HD21 ASN 56 11.624 2.673 -1.576 424 HD22 ASN 56 HD22 ASN 56 11.789 1.754 -0.119 425 H GLY 57 H GLY 57 10.180 -0.044 -5.418 426 HA2 GLY 57 HA2 GLY 57 9.826 1.513 -7.888 427 HA3 GLY 57 HA3 GLY 57 11.103 0.299 -7.886 428 H LYS 58 H LYS 58 8.921 -1.008 -5.893 429 HA LYS 58 HA LYS 58 7.851 -2.788 -7.963 430 HB2 LYS 58 HB2 LYS 58 9.016 -3.596 -5.808 431 HB3 LYS 58 HB3 LYS 58 7.597 -3.048 -4.943 432 HG2 LYS 58 HG2 LYS 58 6.197 -4.628 -6.291 433 HG3 LYS 58 HG3 LYS 58 7.674 -5.229 -7.051 434 HD2 LYS 58 HD2 LYS 58 8.519 -5.981 -4.869 435 HD3 LYS 58 HD3 LYS 58 7.092 -5.323 -4.063 436 HE2 LYS 58 HE2 LYS 58 6.808 -7.713 -4.275 437 HE3 LYS 58 HE3 LYS 58 5.688 -6.929 -5.387 438 HZ1 LYS 58 HZ1 LYS 58 8.312 -8.104 -6.145 439 HZ2 LYS 58 HZ2 LYS 58 7.207 -7.387 -7.201 440 HZ3 LYS 58 HZ3 LYS 58 6.804 -8.818 -6.407 441 H ARG 59 H ARG 59 5.907 -2.231 -8.754 442 HA ARG 59 HA ARG 59 3.920 -0.779 -7.108 443 HB2 ARG 59 HB2 ARG 59 4.689 0.106 -9.385 444 HB3 ARG 59 HB3 ARG 59 3.852 -1.243 -10.128 445 HG2 ARG 59 HG2 ARG 59 2.439 0.766 -8.345 446 HG3 ARG 59 HG3 ARG 59 2.656 1.047 -10.068 447 HD2 ARG 59 HD2 ARG 59 1.425 -1.174 -10.432 448 HD3 ARG 59 HD3 ARG 59 1.002 -1.118 -8.718 449 HE ARG 59 HE ARG 59 0.122 1.267 -9.513 450 HH11 ARG 59 HH11 ARG 59 -0.297 -1.877 -11.049 451 HH12 ARG 59 HH12 ARG 59 -1.824 -1.465 -11.761 452 HH21 ARG 59 HH21 ARG 59 -1.884 1.781 -10.448 453 HH22 ARG 59 HH22 ARG 59 -2.715 0.609 -11.412 454 H GLY 60 H GLY 60 2.115 -1.796 -6.436 455 HA2 GLY 60 HA2 GLY 60 0.890 -4.054 -7.693 456 HA3 GLY 60 HA3 GLY 60 1.853 -4.548 -6.299 457 H LEU 61 H LEU 61 -0.378 -5.259 -5.683 458 HA LEU 61 HA LEU 61 -2.313 -3.356 -4.820 459 HB2 LEU 61 HB2 LEU 61 -1.943 -6.291 -4.144 460 HB3 LEU 61 HB3 LEU 61 -3.291 -5.326 -3.559 461 HG LEU 61 HG LEU 61 -2.706 -5.948 -6.457 462 HD11 LEU 61 HD11 LEU 61 -3.497 -7.887 -5.219 463 HD12 LEU 61 HD12 LEU 61 -4.703 -7.332 -6.380 464 HD13 LEU 61 HD13 LEU 61 -4.902 -6.973 -4.660 465 HD21 LEU 61 HD21 LEU 61 -3.738 -3.745 -6.266 466 HD22 LEU 61 HD22 LEU 61 -5.030 -4.415 -5.265 467 HD23 LEU 61 HD23 LEU 61 -4.876 -4.901 -6.957 468 H ILE 62 H ILE 62 -2.475 -2.312 -2.948 469 HA ILE 62 HA ILE 62 -0.771 -3.028 -0.666 470 HB ILE 62 HB ILE 62 -2.066 -0.300 -1.104 471 HG12 ILE 62 HG12 ILE 62 0.753 -1.078 -1.997 472 HG13 ILE 62 HG13 ILE 62 -0.601 -0.781 -3.082 473 HG21 ILE 62 HG21 ILE 62 -0.345 0.478 0.476 474 HG22 ILE 62 HG22 ILE 62 0.342 -1.145 0.549 475 HG23 ILE 62 HG23 ILE 62 -1.278 -0.846 1.183 476 HD11 ILE 62 HD11 ILE 62 0.922 1.114 -2.951 477 HD12 ILE 62 HD12 ILE 62 0.611 1.261 -1.221 478 HD13 ILE 62 HD13 ILE 62 -0.693 1.529 -2.383 479 HA PRO 63 HA PRO 63 -4.764 -3.837 1.413 480 HB2 PRO 63 HB2 PRO 63 -3.035 -3.941 3.859 481 HB3 PRO 63 HB3 PRO 63 -4.144 -5.172 3.208 482 HG2 PRO 63 HG2 PRO 63 -1.498 -5.501 3.047 483 HG3 PRO 63 HG3 PRO 63 -2.577 -6.025 1.733 484 HD2 PRO 63 HD2 PRO 63 -0.871 -3.543 1.884 485 HD3 PRO 63 HD3 PRO 63 -1.130 -4.654 0.518 486 H GLN 64 H GLN 64 -6.105 -2.192 1.854 487 HA GLN 64 HA GLN 64 -5.129 0.447 2.119 488 HB2 GLN 64 HB2 GLN 64 -7.591 1.089 2.209 489 HB3 GLN 64 HB3 GLN 64 -7.060 0.199 0.796 490 HG2 GLN 64 HG2 GLN 64 -9.240 -0.555 1.394 491 HG3 GLN 64 HG3 GLN 64 -8.086 -1.843 1.687 492 HE21 GLN 64 HE21 GLN 64 -10.019 0.649 3.266 493 HE22 GLN 64 HE22 GLN 64 -10.193 -0.200 4.765 494 H ASN 65 H ASN 65 -6.210 -1.806 4.522 495 HA ASN 65 HA ASN 65 -6.749 0.147 6.603 496 HB2 ASN 65 HB2 ASN 65 -7.951 -2.017 6.502 497 HB3 ASN 65 HB3 ASN 65 -6.446 -2.894 6.733 498 HD21 ASN 65 HD21 ASN 65 -5.438 -2.799 8.798 499 HD22 ASN 65 HD22 ASN 65 -6.340 -2.397 10.210 500 H TYR 66 H TYR 66 -4.023 -1.730 5.507 501 HA TYR 66 HA TYR 66 -2.474 -1.434 7.948 502 HB2 TYR 66 HB2 TYR 66 -1.794 -2.628 5.241 503 HB3 TYR 66 HB3 TYR 66 -0.688 -2.616 6.613 504 HD1 TYR 66 HD2 TYR 66 -3.477 -3.143 8.433 505 HD2 TYR 66 HD1 TYR 66 -1.318 -5.120 5.329 506 HE1 TYR 66 HE2 TYR 66 -4.351 -5.308 9.196 507 HE2 TYR 66 HE1 TYR 66 -2.172 -7.276 6.095 508 HH TYR 66 HH TYR 66 -3.095 -8.310 8.017 509 H VAL 67 H VAL 67 -3.000 0.452 5.173 510 HA VAL 67 HA VAL 67 -0.665 2.154 5.870 511 HB VAL 67 HB VAL 67 -0.625 2.974 3.545 512 HG11 VAL 67 HG11 VAL 67 0.335 0.978 2.480 513 HG12 VAL 67 HG12 VAL 67 -0.400 -0.050 3.713 514 HG13 VAL 67 HG13 VAL 67 0.845 1.118 4.163 515 HG21 VAL 67 HG21 VAL 67 -2.769 0.887 2.966 516 HG22 VAL 67 HG22 VAL 67 -1.913 1.839 1.746 517 HG23 VAL 67 HG23 VAL 67 -2.971 2.640 2.909 518 H LYS 68 H LYS 68 -1.017 4.435 5.474 519 HA LYS 68 HA LYS 68 -3.827 5.341 5.707 520 HB2 LYS 68 HB2 LYS 68 -2.602 5.550 7.879 521 HB3 LYS 68 HB3 LYS 68 -1.352 6.500 7.079 522 HG2 LYS 68 HG2 LYS 68 -3.082 8.223 6.522 523 HG3 LYS 68 HG3 LYS 68 -4.257 7.286 7.455 524 HD2 LYS 68 HD2 LYS 68 -2.915 7.600 9.499 525 HD3 LYS 68 HD3 LYS 68 -1.682 8.461 8.574 526 HE2 LYS 68 HE2 LYS 68 -3.291 10.245 8.072 527 HE3 LYS 68 HE3 LYS 68 -4.547 9.380 8.958 528 HZ1 LYS 68 HZ1 LYS 68 -2.038 10.482 10.114 529 HZ2 LYS 68 HZ2 LYS 68 -3.216 9.626 10.972 530 HZ3 LYS 68 HZ3 LYS 68 -3.587 11.129 10.295 531 H LEU 69 H LEU 69 -4.331 6.468 3.890 532 HA LEU 69 HA LEU 69 -2.379 7.260 1.993 533 HB2 LEU 69 HB2 LEU 69 -5.330 7.990 2.150 534 HB3 LEU 69 HB3 LEU 69 -4.289 8.286 0.766 535 HG LEU 69 HG LEU 69 -5.172 5.585 1.835 536 HD11 LEU 69 HD11 LEU 69 -5.694 6.898 -0.843 537 HD12 LEU 69 HD12 LEU 69 -6.850 6.748 0.482 538 HD13 LEU 69 HD13 LEU 69 -6.250 5.302 -0.321 539 HD21 LEU 69 HD21 LEU 69 -3.183 6.177 -0.369 540 HD22 LEU 69 HD22 LEU 69 -3.885 4.595 -0.025 541 HD23 LEU 69 HD23 LEU 69 -2.862 5.376 1.172 542 H LEU 70 H LEU 70 -1.067 8.880 2.281 543 HA LEU 70 HA LEU 70 -1.787 11.308 3.716 544 HB2 LEU 70 HB2 LEU 70 0.797 10.625 2.249 545 HB3 LEU 70 HB3 LEU 70 0.553 11.940 3.390 546 HG LEU 70 HG LEU 70 0.551 8.964 4.053 547 HD11 LEU 70 HD11 LEU 70 2.553 11.123 4.758 548 HD12 LEU 70 HD12 LEU 70 2.778 9.796 3.616 549 HD13 LEU 70 HD13 LEU 70 2.588 9.450 5.331 550 HD21 LEU 70 HD21 LEU 70 -1.055 10.081 5.494 551 HD22 LEU 70 HD22 LEU 70 0.131 11.314 5.931 552 HD23 LEU 70 HD23 LEU 70 0.375 9.634 6.424 Start of MODEL 13 1 H1 MET 1 H1 MET 1 13.139 29.672 -7.974 2 H2 MET 1 H2 MET 1 13.290 30.877 -6.796 3 H3 MET 1 H3 MET 1 12.917 29.299 -6.341 4 HA MET 1 HA MET 1 15.044 28.521 -7.065 5 HB2 MET 1 HB2 MET 1 15.596 31.450 -7.703 6 HB3 MET 1 HB3 MET 1 16.804 30.174 -7.733 7 HG2 MET 1 HG2 MET 1 15.527 29.077 -9.568 8 HG3 MET 1 HG3 MET 1 14.426 30.460 -9.574 9 HE1 MET 1 HE1 MET 1 16.147 29.404 -12.131 10 HE2 MET 1 HE2 MET 1 16.723 30.923 -12.814 11 HE3 MET 1 HE3 MET 1 15.054 30.789 -12.265 12 H GLY 2 H GLY 2 15.063 27.969 -4.883 13 HA2 GLY 2 HA2 GLY 2 16.263 28.016 -2.893 14 HA3 GLY 2 HA3 GLY 2 16.658 29.704 -3.151 15 H HIS 3 H HIS 3 14.143 30.827 -3.447 16 HA HIS 3 HA HIS 3 12.681 30.232 -0.943 17 HB2 HIS 3 HB2 HIS 3 12.701 32.570 -0.250 18 HB3 HIS 3 HB3 HIS 3 14.371 32.071 -0.511 19 HD1 HIS 3 HD1 HIS 3 11.788 34.461 -1.665 20 HD2 HIS 3 HD2 HIS 3 15.594 33.266 -2.853 21 HE1 HIS 3 HE1 HIS 3 12.565 36.183 -3.327 22 HE2 HIS 3 HE2 HIS 3 14.943 35.555 -3.845 23 H HIS 4 H HIS 4 10.497 30.882 -0.986 24 HA HIS 4 HA HIS 4 9.348 31.916 -3.472 25 HB2 HIS 4 HB2 HIS 4 7.706 30.021 -3.618 26 HB3 HIS 4 HB3 HIS 4 9.365 29.523 -3.928 27 HD1 HIS 4 HD1 HIS 4 6.471 28.354 -2.264 28 HD2 HIS 4 HD2 HIS 4 10.516 28.377 -1.291 29 HE1 HIS 4 HE1 HIS 4 6.767 26.559 -0.543 30 HE2 HIS 4 HE2 HIS 4 9.228 26.511 -0.061 31 H HIS 5 H HIS 5 8.520 33.696 -2.517 32 HA HIS 5 HA HIS 5 6.959 33.587 -0.060 33 HB2 HIS 5 HB2 HIS 5 8.403 35.547 -0.488 34 HB3 HIS 5 HB3 HIS 5 7.502 35.919 -1.958 35 HD1 HIS 5 HD1 HIS 5 5.418 37.333 -1.692 36 HD2 HIS 5 HD2 HIS 5 6.837 35.921 1.955 37 HE1 HIS 5 HE1 HIS 5 4.011 38.445 0.064 38 HE2 HIS 5 HE2 HIS 5 5.008 37.720 2.249 39 H HIS 6 H HIS 6 6.389 33.715 -3.522 40 HA HIS 6 HA HIS 6 3.500 33.900 -3.301 41 HB2 HIS 6 HB2 HIS 6 4.807 34.572 -5.394 42 HB3 HIS 6 HB3 HIS 6 5.134 32.866 -5.674 43 HD1 HIS 6 HD1 HIS 6 2.468 35.454 -5.951 44 HD2 HIS 6 HD2 HIS 6 2.865 31.367 -6.600 45 HE1 HIS 6 HE1 HIS 6 0.456 34.777 -7.289 46 HE2 HIS 6 HE2 HIS 6 0.711 32.308 -7.665 47 H HIS 7 H HIS 7 2.053 32.171 -3.388 48 HA HIS 7 HA HIS 7 2.805 29.702 -2.209 49 HB2 HIS 7 HB2 HIS 7 0.537 30.719 -1.937 50 HB3 HIS 7 HB3 HIS 7 0.199 30.441 -3.643 51 HD1 HIS 7 HD1 HIS 7 0.725 28.548 -0.395 52 HD2 HIS 7 HD2 HIS 7 -0.720 27.881 -4.236 53 HE1 HIS 7 HE1 HIS 7 -0.398 26.302 -0.326 54 HE2 HIS 7 HE2 HIS 7 -1.279 25.937 -2.650 55 H HIS 8 H HIS 8 4.306 28.670 -3.385 56 HA HIS 8 HA HIS 8 3.724 27.724 -6.134 57 HB2 HIS 8 HB2 HIS 8 5.846 29.110 -5.676 58 HB3 HIS 8 HB3 HIS 8 6.431 27.766 -4.703 59 HD1 HIS 8 HD1 HIS 8 7.444 25.785 -5.958 60 HD2 HIS 8 HD2 HIS 8 5.672 28.562 -8.493 61 HE1 HIS 8 HE1 HIS 8 8.228 25.192 -8.270 62 HE2 HIS 8 HE2 HIS 8 6.970 26.752 -9.788 63 H SER 9 H SER 9 2.583 25.881 -5.757 64 HA SER 9 HA SER 9 3.626 23.723 -4.090 65 HB2 SER 9 HB2 SER 9 0.903 24.995 -3.549 66 HB3 SER 9 HB3 SER 9 1.537 23.553 -2.753 67 HG SER 9 HG SER 9 3.387 25.152 -2.256 68 H HIS 10 H HIS 10 2.351 24.606 -6.967 69 HA HIS 10 HA HIS 10 0.463 22.519 -7.520 70 HB2 HIS 10 HB2 HIS 10 2.164 24.197 -9.424 71 HB3 HIS 10 HB3 HIS 10 0.891 23.101 -9.943 72 HD1 HIS 10 HD1 HIS 10 1.169 26.408 -10.095 73 HD2 HIS 10 HD2 HIS 10 -1.473 24.090 -7.866 74 HE1 HIS 10 HE1 HIS 10 -0.824 27.875 -9.665 75 HE2 HIS 10 HE2 HIS 10 -2.467 26.394 -8.472 76 H MET 11 H MET 11 1.473 20.656 -6.676 77 HA MET 11 HA MET 11 3.292 19.267 -8.467 78 HB2 MET 11 HB2 MET 11 4.737 20.595 -6.827 79 HB3 MET 11 HB3 MET 11 4.078 19.604 -5.537 80 HG2 MET 11 HG2 MET 11 6.274 18.780 -6.169 81 HG3 MET 11 HG3 MET 11 5.054 17.591 -6.623 82 HE1 MET 11 HE1 MET 11 7.107 20.403 -9.682 83 HE2 MET 11 HE2 MET 11 7.454 20.446 -7.957 84 HE3 MET 11 HE3 MET 11 5.883 20.985 -8.554 85 H ILE 12 H ILE 12 0.673 19.303 -6.411 86 HA ILE 12 HA ILE 12 0.723 16.599 -5.418 87 HB ILE 12 HB ILE 12 -1.692 18.459 -5.676 88 HG12 ILE 12 HG12 ILE 12 0.087 19.434 -4.219 89 HG13 ILE 12 HG13 ILE 12 -1.354 19.023 -3.300 90 HG21 ILE 12 HG21 ILE 12 -2.372 16.103 -5.449 91 HG22 ILE 12 HG22 ILE 12 -2.757 16.993 -3.979 92 HG23 ILE 12 HG23 ILE 12 -1.355 15.923 -4.016 93 HD11 ILE 12 HD11 ILE 12 1.210 17.434 -3.391 94 HD12 ILE 12 HD12 ILE 12 -0.233 16.999 -2.467 95 HD13 ILE 12 HD13 ILE 12 0.656 18.471 -2.078 96 H ARG 13 H ARG 13 1.236 15.470 -7.277 97 HA ARG 13 HA ARG 13 -1.052 14.728 -9.000 98 HB2 ARG 13 HB2 ARG 13 0.446 14.503 -10.937 99 HB3 ARG 13 HB3 ARG 13 0.519 16.149 -10.322 100 HG2 ARG 13 HG2 ARG 13 2.660 15.542 -9.125 101 HG3 ARG 13 HG3 ARG 13 2.608 13.972 -9.933 102 HD2 ARG 13 HD2 ARG 13 4.113 15.427 -11.145 103 HD3 ARG 13 HD3 ARG 13 2.676 15.163 -12.137 104 HE ARG 13 HE ARG 13 1.932 17.416 -11.128 105 HH11 ARG 13 HH11 ARG 13 5.297 16.667 -11.899 106 HH12 ARG 13 HH12 ARG 13 5.715 18.326 -12.180 107 HH21 ARG 13 HH21 ARG 13 2.514 19.586 -11.526 108 HH22 ARG 13 HH22 ARG 13 4.148 19.965 -11.968 109 H SER 14 H SER 14 0.654 13.826 -6.541 110 HA SER 14 HA SER 14 0.680 10.963 -7.168 111 HB2 SER 14 HB2 SER 14 3.004 11.794 -7.614 112 HB3 SER 14 HB3 SER 14 3.077 12.461 -5.984 113 HG SER 14 HG SER 14 3.352 9.863 -6.859 114 H ARG 15 H ARG 15 -1.151 10.860 -5.771 115 HA ARG 15 HA ARG 15 -1.165 11.535 -3.038 116 HB2 ARG 15 HB2 ARG 15 -3.220 10.697 -4.054 117 HB3 ARG 15 HB3 ARG 15 -2.457 9.172 -4.475 118 HG2 ARG 15 HG2 ARG 15 -3.976 8.860 -2.588 119 HG3 ARG 15 HG3 ARG 15 -2.315 8.580 -2.068 120 HD2 ARG 15 HD2 ARG 15 -3.562 9.853 -0.383 121 HD3 ARG 15 HD3 ARG 15 -2.260 10.841 -1.057 122 HE ARG 15 HE ARG 15 -4.829 11.159 -2.354 123 HH11 ARG 15 HH11 ARG 15 -2.793 12.397 0.267 124 HH12 ARG 15 HH12 ARG 15 -3.630 13.916 0.319 125 HH21 ARG 15 HH21 ARG 15 -5.860 13.147 -2.272 126 HH22 ARG 15 HH22 ARG 15 -5.362 14.344 -1.113 127 H LYS 16 H LYS 16 -0.270 10.540 -1.259 128 HA LYS 16 HA LYS 16 1.489 8.204 -1.731 129 HB2 LYS 16 HB2 LYS 16 1.966 10.630 0.046 130 HB3 LYS 16 HB3 LYS 16 2.953 9.168 0.101 131 HG2 LYS 16 HG2 LYS 16 3.565 9.465 -2.258 132 HG3 LYS 16 HG3 LYS 16 2.560 10.914 -2.352 133 HD2 LYS 16 HD2 LYS 16 4.025 12.050 -0.732 134 HD3 LYS 16 HD3 LYS 16 5.009 10.591 -0.572 135 HE2 LYS 16 HE2 LYS 16 5.638 10.744 -2.944 136 HE3 LYS 16 HE3 LYS 16 4.631 12.182 -3.131 137 HZ1 LYS 16 HZ1 LYS 16 6.951 12.750 -2.864 138 HZ2 LYS 16 HZ2 LYS 16 7.021 11.951 -1.380 139 HZ3 LYS 16 HZ3 LYS 16 6.058 13.329 -1.551 140 H ALA 17 H ALA 17 2.054 7.162 0.418 141 HA ALA 17 HA ALA 17 -0.039 7.110 2.431 142 HB1 ALA 17 HB1 ALA 17 0.575 4.626 0.769 143 HB2 ALA 17 HB2 ALA 17 -0.938 5.531 0.743 144 HB3 ALA 17 HB3 ALA 17 -0.452 4.671 2.208 145 H ARG 18 H ARG 18 0.674 6.059 4.322 146 HA ARG 18 HA ARG 18 3.415 4.975 4.373 147 HB2 ARG 18 HB2 ARG 18 3.517 7.217 5.399 148 HB3 ARG 18 HB3 ARG 18 2.172 6.824 6.465 149 HG2 ARG 18 HG2 ARG 18 3.520 5.178 7.654 150 HG3 ARG 18 HG3 ARG 18 4.851 5.387 6.511 151 HD2 ARG 18 HD2 ARG 18 5.276 6.555 8.641 152 HD3 ARG 18 HD3 ARG 18 5.181 7.690 7.288 153 HE ARG 18 HE ARG 18 2.635 7.494 8.424 154 HH11 ARG 18 HH11 ARG 18 5.809 8.719 9.402 155 HH12 ARG 18 HH12 ARG 18 5.131 9.904 10.472 156 HH21 ARG 18 HH21 ARG 18 1.805 9.089 9.783 157 HH22 ARG 18 HH22 ARG 18 2.881 10.110 10.681 158 H ALA 19 H ALA 19 3.293 2.949 4.916 159 HA ALA 19 HA ALA 19 1.090 1.564 5.943 160 HB1 ALA 19 HB1 ALA 19 2.693 -0.281 6.347 161 HB2 ALA 19 HB2 ALA 19 4.037 0.833 6.073 162 HB3 ALA 19 HB3 ALA 19 2.926 0.447 4.757 163 H VAL 20 H VAL 20 0.235 1.767 7.872 164 HA VAL 20 HA VAL 20 1.753 2.747 10.187 165 HB VAL 20 HB VAL 20 -0.540 2.948 11.253 166 HG11 VAL 20 HG11 VAL 20 0.575 4.876 10.226 167 HG12 VAL 20 HG12 VAL 20 -1.168 4.969 9.982 168 HG13 VAL 20 HG13 VAL 20 -0.117 4.470 8.652 169 HG21 VAL 20 HG21 VAL 20 -1.559 2.249 8.457 170 HG22 VAL 20 HG22 VAL 20 -2.555 2.831 9.795 171 HG23 VAL 20 HG23 VAL 20 -1.759 1.262 9.907 172 H TYR 21 H TYR 21 0.586 -0.174 8.860 173 HA TYR 21 HA TYR 21 1.434 -1.637 11.296 174 HB2 TYR 21 HB2 TYR 21 -0.746 -2.646 9.419 175 HB3 TYR 21 HB3 TYR 21 -0.258 -3.338 10.959 176 HD1 TYR 21 HD2 TYR 21 -0.503 -1.469 13.007 177 HD2 TYR 21 HD1 TYR 21 -2.803 -1.630 9.416 178 HE1 TYR 21 HE2 TYR 21 -2.308 -0.231 14.118 179 HE2 TYR 21 HE1 TYR 21 -4.614 -0.377 10.522 180 HH TYR 21 HH TYR 21 -4.198 1.245 13.439 181 HA PRO 22 HA PRO 22 3.858 -3.919 8.177 182 HB2 PRO 22 HB2 PRO 22 4.613 -6.114 9.581 183 HB3 PRO 22 HB3 PRO 22 5.250 -4.504 9.971 184 HG2 PRO 22 HG2 PRO 22 3.099 -6.053 11.360 185 HG3 PRO 22 HG3 PRO 22 4.399 -5.063 12.058 186 HD2 PRO 22 HD2 PRO 22 1.789 -4.180 11.713 187 HD3 PRO 22 HD3 PRO 22 3.198 -3.108 11.844 188 H CYS 23 H CYS 23 3.337 -5.295 6.564 189 HA CYS 23 HA CYS 23 1.062 -7.179 6.821 190 HB2 CYS 23 HB2 CYS 23 0.135 -5.323 5.658 191 HB3 CYS 23 HB3 CYS 23 1.609 -5.042 4.739 192 HG CYS 23 HG CYS 23 1.120 -6.639 2.757 193 H GLU 24 H GLU 24 2.295 -9.023 6.895 194 HA GLU 24 HA GLU 24 4.332 -9.675 4.944 195 HB2 GLU 24 HB2 GLU 24 2.819 -11.389 6.962 196 HB3 GLU 24 HB3 GLU 24 4.095 -12.016 5.924 197 HG2 GLU 24 HG2 GLU 24 5.738 -10.583 6.989 198 HG3 GLU 24 HG3 GLU 24 4.486 -9.774 7.929 199 H ALA 25 H ALA 25 3.906 -10.267 2.898 200 HA ALA 25 HA ALA 25 1.181 -11.149 2.143 201 HB1 ALA 25 HB1 ALA 25 1.716 -10.331 -0.128 202 HB2 ALA 25 HB2 ALA 25 3.332 -9.867 0.413 203 HB3 ALA 25 HB3 ALA 25 1.918 -9.051 1.074 204 H GLU 26 H GLU 26 0.884 -13.111 1.271 205 HA GLU 26 HA GLU 26 3.114 -14.971 1.051 206 HB2 GLU 26 HB2 GLU 26 1.316 -16.680 0.619 207 HB3 GLU 26 HB3 GLU 26 1.145 -15.825 2.145 208 HG2 GLU 26 HG2 GLU 26 -0.655 -14.483 1.284 209 HG3 GLU 26 HG3 GLU 26 -0.402 -15.088 -0.347 210 H HIS 27 H HIS 27 1.395 -12.894 -1.113 211 HA HIS 27 HA HIS 27 2.450 -14.376 -3.475 212 HB2 HIS 27 HB2 HIS 27 -0.101 -12.735 -3.197 213 HB3 HIS 27 HB3 HIS 27 0.622 -13.058 -4.769 214 HD2 HIS 27 HD2 HIS 27 -0.038 -15.648 -1.838 215 HE1 HIS 27 HE1 HIS 27 -1.972 -16.941 -5.350 216 HE2 HIS 27 HE2 HIS 27 -1.629 -17.384 -2.884 217 H SER 28 H SER 28 2.815 -12.900 -5.386 218 HA SER 28 HA SER 28 4.706 -10.828 -4.641 219 HB2 SER 28 HB2 SER 28 5.328 -12.515 -6.332 220 HB3 SER 28 HB3 SER 28 3.979 -12.023 -7.353 221 HG SER 28 HG SER 28 4.978 -10.014 -7.628 222 H SER 29 H SER 29 1.588 -11.099 -6.312 223 HA SER 29 HA SER 29 1.377 -8.491 -7.347 224 HB2 SER 29 HB2 SER 29 -0.880 -10.312 -6.379 225 HB3 SER 29 HB3 SER 29 -1.053 -8.942 -7.484 226 HG SER 29 HG SER 29 -0.459 -11.467 -8.064 227 H GLU 30 H GLU 30 0.156 -9.880 -4.300 228 HA GLU 30 HA GLU 30 -0.533 -7.404 -3.075 229 HB2 GLU 30 HB2 GLU 30 0.009 -10.172 -1.916 230 HB3 GLU 30 HB3 GLU 30 -0.489 -8.809 -0.927 231 HG2 GLU 30 HG2 GLU 30 -2.495 -9.933 -1.275 232 HG3 GLU 30 HG3 GLU 30 -2.549 -8.678 -2.503 233 H LEU 31 H LEU 31 0.982 -5.881 -2.656 234 HA LEU 31 HA LEU 31 3.733 -6.352 -2.287 235 HB2 LEU 31 HB2 LEU 31 2.056 -3.934 -1.510 236 HB3 LEU 31 HB3 LEU 31 3.809 -3.986 -1.384 237 HG LEU 31 HG LEU 31 2.180 -4.153 -3.925 238 HD11 LEU 31 HD11 LEU 31 3.220 -2.006 -4.505 239 HD12 LEU 31 HD12 LEU 31 4.061 -1.980 -2.952 240 HD13 LEU 31 HD13 LEU 31 2.299 -1.887 -3.008 241 HD21 LEU 31 HD21 LEU 31 4.292 -4.174 -5.171 242 HD22 LEU 31 HD22 LEU 31 4.123 -5.603 -4.156 243 HD23 LEU 31 HD23 LEU 31 5.195 -4.291 -3.657 244 H SER 32 H SER 32 4.777 -7.030 -0.668 245 HA SER 32 HA SER 32 3.724 -7.223 2.061 246 HB2 SER 32 HB2 SER 32 5.936 -8.432 2.449 247 HB3 SER 32 HB3 SER 32 4.877 -9.191 1.263 248 HG SER 32 HG SER 32 6.177 -8.521 -0.365 249 H PHE 33 H PHE 33 4.672 -6.057 3.817 250 HA PHE 33 HA PHE 33 6.747 -4.169 3.484 251 HB2 PHE 33 HB2 PHE 33 5.357 -2.062 3.626 252 HB3 PHE 33 HB3 PHE 33 5.281 -2.901 2.090 253 HD1 PHE 33 HD1 PHE 33 3.361 -2.148 5.194 254 HD2 PHE 33 HD2 PHE 33 3.186 -3.686 1.204 255 HE1 PHE 33 HE1 PHE 33 0.906 -2.000 5.234 256 HE2 PHE 33 HE2 PHE 33 0.727 -3.544 1.263 257 HZ PHE 33 HZ PHE 33 -0.410 -2.692 3.275 258 H GLU 34 H GLU 34 6.538 -2.389 5.250 259 HA GLU 34 HA GLU 34 5.626 -3.461 7.836 260 HB2 GLU 34 HB2 GLU 34 8.472 -2.516 7.238 261 HB3 GLU 34 HB3 GLU 34 7.859 -2.913 8.840 262 HG2 GLU 34 HG2 GLU 34 7.532 -5.257 8.139 263 HG3 GLU 34 HG3 GLU 34 8.125 -4.860 6.528 264 H ILE 35 H ILE 35 6.024 -1.673 9.565 265 HA ILE 35 HA ILE 35 4.617 0.662 8.872 266 HB ILE 35 HB ILE 35 6.412 0.274 11.321 267 HG12 ILE 35 HG12 ILE 35 3.417 -0.279 11.097 268 HG13 ILE 35 HG13 ILE 35 4.652 -1.525 11.011 269 HG21 ILE 35 HG21 ILE 35 5.789 2.648 10.980 270 HG22 ILE 35 HG22 ILE 35 5.000 1.996 12.415 271 HG23 ILE 35 HG23 ILE 35 4.080 2.202 10.923 272 HD11 ILE 35 HD11 ILE 35 5.339 -1.017 13.298 273 HD12 ILE 35 HD12 ILE 35 3.637 -1.462 13.196 274 HD13 ILE 35 HD13 ILE 35 4.090 0.230 13.399 275 H GLY 36 H GLY 36 5.224 2.627 8.167 276 HA2 GLY 36 HA2 GLY 36 6.632 4.461 7.795 277 HA3 GLY 36 HA3 GLY 36 8.044 3.465 8.111 278 H ALA 37 H ALA 37 6.000 1.766 6.073 279 HA ALA 37 HA ALA 37 7.648 2.100 3.761 280 HB1 ALA 37 HB1 ALA 37 4.968 0.674 3.992 281 HB2 ALA 37 HB2 ALA 37 6.543 -0.059 4.286 282 HB3 ALA 37 HB3 ALA 37 6.129 0.509 2.668 283 H ILE 38 H ILE 38 7.573 4.055 2.848 284 HA ILE 38 HA ILE 38 5.135 5.552 2.404 285 HB ILE 38 HB ILE 38 7.953 6.120 1.375 286 HG12 ILE 38 HG12 ILE 38 7.911 6.117 3.845 287 HG13 ILE 38 HG13 ILE 38 8.115 7.759 3.254 288 HG21 ILE 38 HG21 ILE 38 5.513 7.948 1.480 289 HG22 ILE 38 HG22 ILE 38 6.248 7.271 0.025 290 HG23 ILE 38 HG23 ILE 38 7.142 8.438 0.998 291 HD11 ILE 38 HD11 ILE 38 5.575 6.539 4.324 292 HD12 ILE 38 HD12 ILE 38 5.724 8.180 3.689 293 HD13 ILE 38 HD13 ILE 38 6.615 7.709 5.135 294 H PHE 39 H PHE 39 3.839 5.189 0.741 295 HA PHE 39 HA PHE 39 4.814 3.939 -1.753 296 HB2 PHE 39 HB2 PHE 39 1.931 4.236 -0.750 297 HB3 PHE 39 HB3 PHE 39 2.464 3.318 -2.158 298 HD1 PHE 39 HD1 PHE 39 3.820 1.229 -1.845 299 HD2 PHE 39 HD2 PHE 39 2.025 3.277 1.456 300 HE1 PHE 39 HE1 PHE 39 4.100 -0.765 -0.436 301 HE2 PHE 39 HE2 PHE 39 2.318 1.277 2.849 302 HZ PHE 39 HZ PHE 39 3.352 -0.735 1.904 303 H GLU 40 H GLU 40 4.541 5.057 -3.656 304 HA GLU 40 HA GLU 40 3.539 7.849 -3.513 305 HB2 GLU 40 HB2 GLU 40 5.920 6.781 -5.102 306 HB3 GLU 40 HB3 GLU 40 5.310 8.433 -5.167 307 HG2 GLU 40 HG2 GLU 40 5.882 8.793 -2.822 308 HG3 GLU 40 HG3 GLU 40 6.389 7.113 -2.660 309 H ASP 41 H ASP 41 2.462 8.633 -5.334 310 HA ASP 41 HA ASP 41 0.712 8.529 -6.705 311 HB2 ASP 41 HB2 ASP 41 2.579 8.371 -8.336 312 HB3 ASP 41 HB3 ASP 41 2.479 6.616 -8.280 313 H VAL 42 H VAL 42 -0.268 7.463 -4.856 314 HA VAL 42 HA VAL 42 -1.050 4.666 -5.130 315 HB VAL 42 HB VAL 42 -1.763 6.646 -2.918 316 HG11 VAL 42 HG11 VAL 42 -1.892 3.607 -2.948 317 HG12 VAL 42 HG12 VAL 42 -3.273 4.704 -3.018 318 HG13 VAL 42 HG13 VAL 42 -2.270 4.645 -1.567 319 HG21 VAL 42 HG21 VAL 42 0.051 5.667 -1.579 320 HG22 VAL 42 HG22 VAL 42 0.676 6.426 -3.043 321 HG23 VAL 42 HG23 VAL 42 0.540 4.668 -2.952 322 H GLN 43 H GLN 43 -3.021 4.096 -5.824 323 HA GLN 43 HA GLN 43 -5.254 5.992 -5.963 324 HB2 GLN 43 HB2 GLN 43 -4.188 4.405 -8.342 325 HB3 GLN 43 HB3 GLN 43 -5.801 5.095 -8.301 326 HG2 GLN 43 HG2 GLN 43 -3.228 6.691 -8.148 327 HG3 GLN 43 HG3 GLN 43 -4.187 6.447 -9.605 328 HE21 GLN 43 HE21 GLN 43 -4.687 8.580 -9.971 329 HE22 GLN 43 HE22 GLN 43 -5.656 9.548 -8.914 330 H THR 44 H THR 44 -7.303 4.770 -6.489 331 HA THR 44 HA THR 44 -7.496 2.438 -4.791 332 HB THR 44 HB THR 44 -9.652 3.561 -6.615 333 HG1 THR 44 HG1 THR 44 -8.448 4.760 -4.549 334 HG21 THR 44 HG21 THR 44 -9.844 1.994 -4.027 335 HG22 THR 44 HG22 THR 44 -10.184 1.353 -5.636 336 HG23 THR 44 HG23 THR 44 -11.212 2.614 -4.942 337 H SER 45 H SER 45 -7.720 0.319 -5.449 338 HA SER 45 HA SER 45 -7.064 -0.371 -8.227 339 HB2 SER 45 HB2 SER 45 -5.809 -1.489 -6.390 340 HB3 SER 45 HB3 SER 45 -7.317 -2.134 -5.740 341 HG SER 45 HG SER 45 -5.760 -3.103 -7.719 342 H ARG 46 H ARG 46 -8.271 -2.230 -9.209 343 HA ARG 46 HA ARG 46 -11.134 -1.983 -9.110 344 HB2 ARG 46 HB2 ARG 46 -11.099 -3.922 -10.712 345 HB3 ARG 46 HB3 ARG 46 -10.085 -2.577 -11.216 346 HG2 ARG 46 HG2 ARG 46 -8.088 -3.805 -10.347 347 HG3 ARG 46 HG3 ARG 46 -9.131 -5.174 -9.970 348 HD2 ARG 46 HD2 ARG 46 -9.632 -5.518 -12.313 349 HD3 ARG 46 HD3 ARG 46 -8.797 -4.026 -12.767 350 HE ARG 46 HE ARG 46 -7.593 -6.586 -12.010 351 HH11 ARG 46 HH11 ARG 46 -7.031 -3.202 -12.805 352 HH12 ARG 46 HH12 ARG 46 -5.349 -3.439 -13.143 353 HH21 ARG 46 HH21 ARG 46 -5.376 -6.858 -12.439 354 HH22 ARG 46 HH22 ARG 46 -4.416 -5.501 -12.936 355 H GLU 47 H GLU 47 -8.732 -4.003 -7.599 356 HA GLU 47 HA GLU 47 -10.398 -5.926 -6.366 357 HB2 GLU 47 HB2 GLU 47 -7.646 -4.799 -5.779 358 HB3 GLU 47 HB3 GLU 47 -8.405 -5.867 -4.612 359 HG2 GLU 47 HG2 GLU 47 -6.818 -7.028 -6.082 360 HG3 GLU 47 HG3 GLU 47 -8.447 -7.678 -6.185 361 HA PRO 48 HA PRO 48 -12.648 -3.268 -3.569 362 HB2 PRO 48 HB2 PRO 48 -13.820 -5.132 -1.940 363 HB3 PRO 48 HB3 PRO 48 -14.258 -4.957 -3.650 364 HG2 PRO 48 HG2 PRO 48 -12.453 -6.981 -2.378 365 HG3 PRO 48 HG3 PRO 48 -13.680 -7.207 -3.644 366 HD2 PRO 48 HD2 PRO 48 -10.992 -6.992 -4.183 367 HD3 PRO 48 HD3 PRO 48 -12.261 -6.528 -5.334 368 H GLY 49 H GLY 49 -11.633 -1.955 -2.184 369 HA2 GLY 49 HA2 GLY 49 -10.797 -1.180 -0.167 370 HA3 GLY 49 HA3 GLY 49 -10.843 -2.817 0.470 371 H TRP 50 H TRP 50 -9.225 -2.596 -2.502 372 HA TRP 50 HA TRP 50 -6.559 -2.548 -1.227 373 HB2 TRP 50 HB2 TRP 50 -7.408 -3.724 -3.914 374 HB3 TRP 50 HB3 TRP 50 -5.757 -3.712 -3.302 375 HD1 TRP 50 HD1 TRP 50 -9.198 -5.308 -2.498 376 HE1 TRP 50 HE1 TRP 50 -8.802 -7.501 -1.224 377 HE3 TRP 50 HE3 TRP 50 -4.116 -5.088 -2.072 378 HZ2 TRP 50 HZ2 TRP 50 -6.649 -8.949 -0.172 379 HZ3 TRP 50 HZ3 TRP 50 -2.964 -6.916 -0.898 380 HH2 TRP 50 HH2 TRP 50 -4.201 -8.817 0.019 381 H LEU 51 H LEU 51 -5.046 -1.116 -1.963 382 HA LEU 51 HA LEU 51 -5.732 0.787 -4.130 383 HB2 LEU 51 HB2 LEU 51 -3.673 1.189 -1.913 384 HB3 LEU 51 HB3 LEU 51 -4.280 2.398 -3.032 385 HG LEU 51 HG LEU 51 -5.811 1.133 -0.734 386 HD11 LEU 51 HD11 LEU 51 -5.793 3.378 0.257 387 HD12 LEU 51 HD12 LEU 51 -4.789 3.963 -1.073 388 HD13 LEU 51 HD13 LEU 51 -4.166 2.736 0.032 389 HD21 LEU 51 HD21 LEU 51 -6.811 3.224 -2.693 390 HD22 LEU 51 HD22 LEU 51 -7.653 2.657 -1.245 391 HD23 LEU 51 HD23 LEU 51 -7.353 1.548 -2.578 392 H GLU 52 H GLU 52 -3.992 1.210 -5.649 393 HA GLU 52 HA GLU 52 -1.655 -0.610 -5.572 394 HB2 GLU 52 HB2 GLU 52 -2.758 1.089 -7.862 395 HB3 GLU 52 HB3 GLU 52 -1.334 0.055 -7.967 396 HG2 GLU 52 HG2 GLU 52 -2.682 -1.937 -7.640 397 HG3 GLU 52 HG3 GLU 52 -4.122 -0.959 -7.345 398 H GLY 53 H GLY 53 0.376 0.276 -5.263 399 HA2 GLY 53 HA2 GLY 53 0.911 3.127 -5.638 400 HA3 GLY 53 HA3 GLY 53 0.883 2.612 -3.951 401 H THR 54 H THR 54 3.168 3.669 -5.210 402 HA THR 54 HA THR 54 4.856 1.431 -6.103 403 HB THR 54 HB THR 54 5.360 4.431 -6.300 404 HG1 THR 54 HG1 THR 54 3.738 4.183 -7.672 405 HG21 THR 54 HG21 THR 54 7.439 3.119 -6.474 406 HG22 THR 54 HG22 THR 54 7.014 3.823 -8.034 407 HG23 THR 54 HG23 THR 54 6.710 2.112 -7.731 408 H LEU 55 H LEU 55 6.205 0.575 -4.664 409 HA LEU 55 HA LEU 55 7.337 2.164 -2.435 410 HB2 LEU 55 HB2 LEU 55 5.783 0.322 -1.724 411 HB3 LEU 55 HB3 LEU 55 6.800 -0.836 -2.555 412 HG LEU 55 HG LEU 55 8.653 -0.384 -0.972 413 HD11 LEU 55 HD11 LEU 55 8.328 1.010 1.028 414 HD12 LEU 55 HD12 LEU 55 6.759 1.538 0.412 415 HD13 LEU 55 HD13 LEU 55 8.237 1.954 -0.457 416 HD21 LEU 55 HD21 LEU 55 7.675 -1.417 1.032 417 HD22 LEU 55 HD22 LEU 55 7.075 -2.181 -0.437 418 HD23 LEU 55 HD23 LEU 55 6.049 -1.049 0.446 419 H ASN 56 H ASN 56 9.247 2.789 -3.246 420 HA ASN 56 HA ASN 56 11.386 2.798 -3.989 421 HB2 ASN 56 HB2 ASN 56 11.318 -0.124 -3.119 422 HB3 ASN 56 HB3 ASN 56 12.785 0.781 -3.478 423 HD21 ASN 56 HD21 ASN 56 11.526 -0.450 -0.964 424 HD22 ASN 56 HD22 ASN 56 11.698 0.793 0.216 425 H GLY 57 H GLY 57 9.318 2.338 -5.919 426 HA2 GLY 57 HA2 GLY 57 9.439 2.276 -8.253 427 HA3 GLY 57 HA3 GLY 57 10.955 1.390 -8.158 428 H LYS 58 H LYS 58 8.321 0.186 -6.224 429 HA LYS 58 HA LYS 58 7.619 -1.860 -8.258 430 HB2 LYS 58 HB2 LYS 58 9.194 -2.781 -6.566 431 HB3 LYS 58 HB3 LYS 58 8.080 -2.324 -5.300 432 HG2 LYS 58 HG2 LYS 58 6.395 -3.911 -6.180 433 HG3 LYS 58 HG3 LYS 58 7.511 -4.376 -7.469 434 HD2 LYS 58 HD2 LYS 58 7.458 -6.001 -5.553 435 HD3 LYS 58 HD3 LYS 58 9.065 -5.333 -5.859 436 HE2 LYS 58 HE2 LYS 58 8.756 -3.747 -3.991 437 HE3 LYS 58 HE3 LYS 58 7.141 -4.398 -3.705 438 HZ1 LYS 58 HZ1 LYS 58 9.612 -6.024 -3.548 439 HZ2 LYS 58 HZ2 LYS 58 8.055 -6.469 -3.066 440 HZ3 LYS 58 HZ3 LYS 58 8.888 -5.273 -2.217 441 H ARG 59 H ARG 59 5.474 -1.801 -8.642 442 HA ARG 59 HA ARG 59 3.641 -0.695 -6.590 443 HB2 ARG 59 HB2 ARG 59 3.794 0.625 -8.734 444 HB3 ARG 59 HB3 ARG 59 3.174 -0.774 -9.603 445 HG2 ARG 59 HG2 ARG 59 1.047 -0.634 -8.372 446 HG3 ARG 59 HG3 ARG 59 1.680 0.683 -7.387 447 HD2 ARG 59 HD2 ARG 59 1.127 0.762 -10.368 448 HD3 ARG 59 HD3 ARG 59 0.203 1.575 -9.095 449 HE ARG 59 HE ARG 59 3.017 2.267 -9.200 450 HH11 ARG 59 HH11 ARG 59 -0.195 3.185 -10.326 451 HH12 ARG 59 HH12 ARG 59 0.289 4.812 -10.681 452 HH21 ARG 59 HH21 ARG 59 3.620 4.343 -9.714 453 HH22 ARG 59 HH22 ARG 59 2.450 5.469 -10.333 454 H GLY 60 H GLY 60 1.687 -1.748 -6.226 455 HA2 GLY 60 HA2 GLY 60 0.691 -3.986 -7.608 456 HA3 GLY 60 HA3 GLY 60 1.660 -4.557 -6.247 457 H LEU 61 H LEU 61 -0.475 -5.463 -5.698 458 HA LEU 61 HA LEU 61 -2.623 -3.796 -4.822 459 HB2 LEU 61 HB2 LEU 61 -2.043 -6.762 -4.443 460 HB3 LEU 61 HB3 LEU 61 -3.525 -5.984 -3.903 461 HG LEU 61 HG LEU 61 -2.592 -6.128 -6.770 462 HD11 LEU 61 HD11 LEU 61 -4.425 -7.711 -7.157 463 HD12 LEU 61 HD12 LEU 61 -4.785 -7.718 -5.430 464 HD13 LEU 61 HD13 LEU 61 -3.241 -8.343 -6.014 465 HD21 LEU 61 HD21 LEU 61 -5.167 -5.034 -5.619 466 HD22 LEU 61 HD22 LEU 61 -4.824 -5.237 -7.340 467 HD23 LEU 61 HD23 LEU 61 -3.871 -4.108 -6.385 468 H ILE 62 H ILE 62 -2.718 -2.796 -3.015 469 HA ILE 62 HA ILE 62 -1.089 -3.518 -0.660 470 HB ILE 62 HB ILE 62 -2.154 -0.770 -1.500 471 HG12 ILE 62 HG12 ILE 62 0.739 -1.732 -1.573 472 HG13 ILE 62 HG13 ILE 62 -0.297 -1.530 -2.984 473 HG21 ILE 62 HG21 ILE 62 -0.820 0.154 0.346 474 HG22 ILE 62 HG22 ILE 62 -0.299 -1.467 0.798 475 HG23 ILE 62 HG23 ILE 62 -1.998 -1.018 0.948 476 HD11 ILE 62 HD11 ILE 62 1.204 0.332 -2.753 477 HD12 ILE 62 HD12 ILE 62 0.611 0.661 -1.126 478 HD13 ILE 62 HD13 ILE 62 -0.460 0.863 -2.517 479 HA PRO 63 HA PRO 63 -5.316 -3.723 1.048 480 HB2 PRO 63 HB2 PRO 63 -4.218 -4.414 3.652 481 HB3 PRO 63 HB3 PRO 63 -5.055 -5.477 2.509 482 HG2 PRO 63 HG2 PRO 63 -2.378 -5.701 3.149 483 HG3 PRO 63 HG3 PRO 63 -3.112 -6.316 1.654 484 HD2 PRO 63 HD2 PRO 63 -1.527 -3.805 2.078 485 HD3 PRO 63 HD3 PRO 63 -1.542 -4.920 0.689 486 H GLN 64 H GLN 64 -6.184 -1.803 1.384 487 HA GLN 64 HA GLN 64 -4.891 0.547 2.141 488 HB2 GLN 64 HB2 GLN 64 -6.907 0.477 0.768 489 HB3 GLN 64 HB3 GLN 64 -7.855 -0.136 2.115 490 HG2 GLN 64 HG2 GLN 64 -7.680 1.979 3.279 491 HG3 GLN 64 HG3 GLN 64 -6.513 2.575 2.099 492 HE21 GLN 64 HE21 GLN 64 -7.771 4.358 1.525 493 HE22 GLN 64 HE22 GLN 64 -9.245 4.214 0.636 494 H ASN 65 H ASN 65 -6.625 -1.804 4.045 495 HA ASN 65 HA ASN 65 -7.059 -0.546 6.497 496 HB2 ASN 65 HB2 ASN 65 -7.968 -2.765 5.879 497 HB3 ASN 65 HB3 ASN 65 -6.349 -3.462 5.934 498 HD21 ASN 65 HD21 ASN 65 -6.720 -4.942 7.554 499 HD22 ASN 65 HD22 ASN 65 -7.133 -4.507 9.177 500 H TYR 66 H TYR 66 -4.023 -1.826 5.200 501 HA TYR 66 HA TYR 66 -2.666 -1.648 7.803 502 HB2 TYR 66 HB2 TYR 66 -1.730 -2.653 5.092 503 HB3 TYR 66 HB3 TYR 66 -0.661 -2.511 6.483 504 HD1 TYR 66 HD2 TYR 66 -1.155 -3.904 8.551 505 HD2 TYR 66 HD1 TYR 66 -3.161 -4.558 4.870 506 HE1 TYR 66 HE2 TYR 66 -1.746 -6.178 9.276 507 HE2 TYR 66 HE1 TYR 66 -3.770 -6.819 5.593 508 HH TYR 66 HH TYR 66 -3.545 -7.849 8.769 509 H VAL 67 H VAL 67 -3.213 0.462 5.182 510 HA VAL 67 HA VAL 67 -0.769 2.044 5.781 511 HB VAL 67 HB VAL 67 -0.673 2.849 3.500 512 HG11 VAL 67 HG11 VAL 67 -0.069 0.776 2.320 513 HG12 VAL 67 HG12 VAL 67 -0.916 -0.176 3.543 514 HG13 VAL 67 HG13 VAL 67 0.506 0.771 3.988 515 HG21 VAL 67 HG21 VAL 67 -2.174 2.019 1.691 516 HG22 VAL 67 HG22 VAL 67 -3.055 2.935 2.914 517 HG23 VAL 67 HG23 VAL 67 -3.148 1.172 2.898 518 H LYS 68 H LYS 68 -1.008 4.372 5.153 519 HA LYS 68 HA LYS 68 -3.669 5.496 5.702 520 HB2 LYS 68 HB2 LYS 68 -2.470 5.136 7.870 521 HB3 LYS 68 HB3 LYS 68 -1.156 6.155 7.296 522 HG2 LYS 68 HG2 LYS 68 -2.687 8.081 7.190 523 HG3 LYS 68 HG3 LYS 68 -4.018 7.056 7.745 524 HD2 LYS 68 HD2 LYS 68 -2.865 6.671 9.879 525 HD3 LYS 68 HD3 LYS 68 -1.476 7.608 9.325 526 HE2 LYS 68 HE2 LYS 68 -2.833 8.960 10.818 527 HE3 LYS 68 HE3 LYS 68 -2.924 9.623 9.187 528 HZ1 LYS 68 HZ1 LYS 68 -5.084 9.591 10.191 529 HZ2 LYS 68 HZ2 LYS 68 -4.972 7.943 10.523 530 HZ3 LYS 68 HZ3 LYS 68 -5.061 8.473 8.926 531 H LEU 69 H LEU 69 -4.025 6.972 4.192 532 HA LEU 69 HA LEU 69 -2.144 7.650 2.221 533 HB2 LEU 69 HB2 LEU 69 -4.882 8.845 2.785 534 HB3 LEU 69 HB3 LEU 69 -3.958 9.136 1.319 535 HG LEU 69 HG LEU 69 -5.082 6.454 2.219 536 HD11 LEU 69 HD11 LEU 69 -5.918 8.235 -0.092 537 HD12 LEU 69 HD12 LEU 69 -6.813 7.978 1.409 538 HD13 LEU 69 HD13 LEU 69 -6.579 6.639 0.289 539 HD21 LEU 69 HD21 LEU 69 -3.444 7.128 -0.252 540 HD22 LEU 69 HD22 LEU 69 -4.300 5.606 0.010 541 HD23 LEU 69 HD23 LEU 69 -2.979 6.062 1.080 542 H LEU 70 H LEU 70 -0.665 9.148 2.157 543 HA LEU 70 HA LEU 70 -0.611 11.467 3.938 544 HB2 LEU 70 HB2 LEU 70 1.381 10.593 1.805 545 HB3 LEU 70 HB3 LEU 70 1.651 11.804 3.045 546 HG LEU 70 HG LEU 70 1.289 8.824 3.536 547 HD11 LEU 70 HD11 LEU 70 3.821 10.490 3.642 548 HD12 LEU 70 HD12 LEU 70 3.404 9.277 2.429 549 HD13 LEU 70 HD13 LEU 70 3.675 8.787 4.098 550 HD21 LEU 70 HD21 LEU 70 0.446 10.103 5.427 551 HD22 LEU 70 HD22 LEU 70 1.946 11.030 5.519 552 HD23 LEU 70 HD23 LEU 70 1.951 9.297 5.863 Start of MODEL 14 1 H1 MET 1 H1 MET 1 4.871 24.615 -5.305 2 H2 MET 1 H2 MET 1 5.456 25.848 -6.299 3 H3 MET 1 H3 MET 1 5.377 24.268 -6.880 4 HA MET 1 HA MET 1 3.020 24.269 -6.807 5 HB2 MET 1 HB2 MET 1 1.733 26.284 -6.181 6 HB3 MET 1 HB3 MET 1 2.723 25.735 -4.838 7 HG2 MET 1 HG2 MET 1 4.350 27.515 -5.280 8 HG3 MET 1 HG3 MET 1 3.393 28.059 -6.663 9 HE1 MET 1 HE1 MET 1 2.866 30.897 -3.983 10 HE2 MET 1 HE2 MET 1 3.342 30.555 -5.648 11 HE3 MET 1 HE3 MET 1 4.336 29.980 -4.307 12 H GLY 2 H GLY 2 1.644 25.297 -8.454 13 HA2 GLY 2 HA2 GLY 2 2.813 27.225 -10.294 14 HA3 GLY 2 HA3 GLY 2 2.595 25.597 -10.943 15 H HIS 3 H HIS 3 0.760 27.833 -8.884 16 HA HIS 3 HA HIS 3 -1.793 27.069 -9.753 17 HB2 HIS 3 HB2 HIS 3 -0.867 29.651 -8.446 18 HB3 HIS 3 HB3 HIS 3 -2.559 29.263 -8.741 19 HD1 HIS 3 HD1 HIS 3 -3.579 27.265 -7.351 20 HD2 HIS 3 HD2 HIS 3 0.245 28.439 -6.195 21 HE1 HIS 3 HE1 HIS 3 -3.203 26.224 -5.100 22 HE2 HIS 3 HE2 HIS 3 -0.865 26.880 -4.454 23 H HIS 4 H HIS 4 -2.000 26.992 -11.921 24 HA HIS 4 HA HIS 4 -2.271 29.552 -13.384 25 HB2 HIS 4 HB2 HIS 4 -1.137 26.945 -14.528 26 HB3 HIS 4 HB3 HIS 4 -1.407 28.430 -15.435 27 HD1 HIS 4 HD1 HIS 4 1.143 26.673 -13.490 28 HD2 HIS 4 HD2 HIS 4 0.405 30.618 -14.545 29 HE1 HIS 4 HE1 HIS 4 3.323 27.869 -13.179 30 HE2 HIS 4 HE2 HIS 4 2.884 30.214 -13.952 31 H HIS 5 H HIS 5 -4.420 29.726 -13.862 32 HA HIS 5 HA HIS 5 -6.203 27.494 -13.559 33 HB2 HIS 5 HB2 HIS 5 -8.001 29.198 -14.247 34 HB3 HIS 5 HB3 HIS 5 -7.115 29.514 -12.770 35 HD1 HIS 5 HD1 HIS 5 -5.553 31.565 -12.741 36 HD2 HIS 5 HD2 HIS 5 -7.723 31.154 -16.252 37 HE1 HIS 5 HE1 HIS 5 -5.329 33.757 -13.928 38 HE2 HIS 5 HE2 HIS 5 -6.466 33.406 -16.132 39 H HIS 6 H HIS 6 -5.758 25.969 -15.053 40 HA HIS 6 HA HIS 6 -6.726 26.155 -17.751 41 HB2 HIS 6 HB2 HIS 6 -4.538 27.370 -17.993 42 HB3 HIS 6 HB3 HIS 6 -3.695 25.962 -17.360 43 HD1 HIS 6 HD1 HIS 6 -2.559 24.772 -19.216 44 HD2 HIS 6 HD2 HIS 6 -6.168 26.402 -20.465 45 HE1 HIS 6 HE1 HIS 6 -2.765 24.170 -21.643 46 HE2 HIS 6 HE2 HIS 6 -4.806 25.406 -22.417 47 H HIS 7 H HIS 7 -7.819 24.206 -17.506 48 HA HIS 7 HA HIS 7 -6.657 21.978 -16.030 49 HB2 HIS 7 HB2 HIS 7 -9.081 22.714 -15.801 50 HB3 HIS 7 HB3 HIS 7 -9.378 22.070 -17.409 51 HD1 HIS 7 HD1 HIS 7 -9.454 19.470 -17.640 52 HD2 HIS 7 HD2 HIS 7 -8.846 20.789 -13.743 53 HE1 HIS 7 HE1 HIS 7 -9.861 17.471 -16.174 54 HE2 HIS 7 HE2 HIS 7 -9.698 18.347 -13.827 55 H HIS 8 H HIS 8 -4.941 22.019 -17.798 56 HA HIS 8 HA HIS 8 -5.265 19.621 -19.427 57 HB2 HIS 8 HB2 HIS 8 -4.478 22.323 -20.607 58 HB3 HIS 8 HB3 HIS 8 -3.984 20.813 -21.363 59 HD1 HIS 8 HD1 HIS 8 -6.065 19.212 -22.093 60 HD2 HIS 8 HD2 HIS 8 -6.940 23.223 -21.443 61 HE1 HIS 8 HE1 HIS 8 -8.280 19.608 -23.195 62 HE2 HIS 8 HE2 HIS 8 -8.731 22.060 -22.891 63 H SER 9 H SER 9 -3.591 18.376 -18.783 64 HA SER 9 HA SER 9 -1.797 17.652 -17.618 65 HB2 SER 9 HB2 SER 9 -0.475 20.230 -18.580 66 HB3 SER 9 HB3 SER 9 0.378 18.867 -17.850 67 HG SER 9 HG SER 9 0.365 17.931 -19.706 68 H HIS 10 H HIS 10 0.012 18.768 -15.858 69 HA HIS 10 HA HIS 10 0.330 19.570 -13.767 70 HB2 HIS 10 HB2 HIS 10 0.038 21.762 -14.831 71 HB3 HIS 10 HB3 HIS 10 -1.707 21.640 -14.699 72 HD1 HIS 10 HD1 HIS 10 -2.649 22.970 -12.854 73 HD2 HIS 10 HD2 HIS 10 1.256 21.816 -12.033 74 HE1 HIS 10 HE1 HIS 10 -2.088 24.008 -10.645 75 HE2 HIS 10 HE2 HIS 10 0.196 23.130 -10.082 76 H MET 11 H MET 11 -1.915 17.606 -14.354 77 HA MET 11 HA MET 11 -3.987 18.006 -12.413 78 HB2 MET 11 HB2 MET 11 -3.124 15.484 -13.892 79 HB3 MET 11 HB3 MET 11 -4.609 15.652 -12.956 80 HG2 MET 11 HG2 MET 11 -5.311 17.484 -14.498 81 HG3 MET 11 HG3 MET 11 -3.864 17.178 -15.455 82 HE1 MET 11 HE1 MET 11 -6.788 17.245 -16.689 83 HE2 MET 11 HE2 MET 11 -6.677 15.864 -17.780 84 HE3 MET 11 HE3 MET 11 -5.308 16.962 -17.611 85 H ILE 12 H ILE 12 -4.112 17.265 -10.350 86 HA ILE 12 HA ILE 12 -1.658 17.041 -8.945 87 HB ILE 12 HB ILE 12 -4.511 16.752 -7.870 88 HG12 ILE 12 HG12 ILE 12 -3.978 19.051 -6.828 89 HG13 ILE 12 HG13 ILE 12 -2.549 19.097 -7.850 90 HG21 ILE 12 HG21 ILE 12 -3.525 17.034 -5.596 91 HG22 ILE 12 HG22 ILE 12 -1.912 16.948 -6.301 92 HG23 ILE 12 HG23 ILE 12 -2.981 15.547 -6.379 93 HD11 ILE 12 HD11 ILE 12 -3.967 19.069 -9.835 94 HD12 ILE 12 HD12 ILE 12 -4.361 20.415 -8.767 95 HD13 ILE 12 HD13 ILE 12 -5.403 18.995 -8.811 96 H ARG 13 H ARG 13 -0.605 15.262 -9.578 97 HA ARG 13 HA ARG 13 -1.601 12.632 -8.686 98 HB2 ARG 13 HB2 ARG 13 -1.811 12.470 -11.049 99 HB3 ARG 13 HB3 ARG 13 -0.317 13.355 -11.339 100 HG2 ARG 13 HG2 ARG 13 1.004 11.473 -10.483 101 HG3 ARG 13 HG3 ARG 13 -0.473 10.579 -10.115 102 HD2 ARG 13 HD2 ARG 13 0.328 11.451 -12.914 103 HD3 ARG 13 HD3 ARG 13 0.667 9.858 -12.236 104 HE ARG 13 HE ARG 13 -1.883 10.875 -13.173 105 HH11 ARG 13 HH11 ARG 13 -0.302 8.325 -11.304 106 HH12 ARG 13 HH12 ARG 13 -1.651 7.240 -11.456 107 HH21 ARG 13 HH21 ARG 13 -3.637 9.453 -13.306 108 HH22 ARG 13 HH22 ARG 13 -3.532 7.874 -12.584 109 H SER 14 H SER 14 -0.430 12.417 -6.939 110 HA SER 14 HA SER 14 2.030 11.219 -7.098 111 HB2 SER 14 HB2 SER 14 3.584 12.778 -6.068 112 HB3 SER 14 HB3 SER 14 2.935 13.548 -7.493 113 HG SER 14 HG SER 14 2.912 14.451 -5.007 114 H ARG 15 H ARG 15 -0.578 10.962 -5.913 115 HA ARG 15 HA ARG 15 -0.815 11.694 -3.228 116 HB2 ARG 15 HB2 ARG 15 -2.702 10.887 -4.684 117 HB3 ARG 15 HB3 ARG 15 -2.119 9.237 -4.468 118 HG2 ARG 15 HG2 ARG 15 -2.551 9.349 -2.068 119 HG3 ARG 15 HG3 ARG 15 -2.969 11.061 -2.191 120 HD2 ARG 15 HD2 ARG 15 -4.854 10.397 -3.720 121 HD3 ARG 15 HD3 ARG 15 -4.503 8.712 -3.320 122 HE ARG 15 HE ARG 15 -4.812 10.045 -0.900 123 HH11 ARG 15 HH11 ARG 15 -6.863 9.337 -3.688 124 HH12 ARG 15 HH12 ARG 15 -8.326 9.352 -2.753 125 HH21 ARG 15 HH21 ARG 15 -6.744 10.133 0.280 126 HH22 ARG 15 HH22 ARG 15 -8.259 9.802 -0.507 127 H LYS 16 H LYS 16 -0.340 10.672 -1.269 128 HA LYS 16 HA LYS 16 1.621 8.449 -1.480 129 HB2 LYS 16 HB2 LYS 16 1.753 10.899 0.329 130 HB3 LYS 16 HB3 LYS 16 2.847 9.517 0.426 131 HG2 LYS 16 HG2 LYS 16 3.588 9.955 -1.907 132 HG3 LYS 16 HG3 LYS 16 2.522 11.358 -1.963 133 HD2 LYS 16 HD2 LYS 16 4.821 12.063 -1.546 134 HD3 LYS 16 HD3 LYS 16 3.818 12.419 -0.140 135 HE2 LYS 16 HE2 LYS 16 4.716 10.490 1.040 136 HE3 LYS 16 HE3 LYS 16 5.616 9.987 -0.396 137 HZ1 LYS 16 HZ1 LYS 16 7.046 11.125 1.151 138 HZ2 LYS 16 HZ2 LYS 16 6.054 12.490 1.139 139 HZ3 LYS 16 HZ3 LYS 16 6.885 12.036 -0.259 140 H ALA 17 H ALA 17 2.026 7.352 0.554 141 HA ALA 17 HA ALA 17 -0.097 7.251 2.543 142 HB1 ALA 17 HB1 ALA 17 -0.866 5.637 0.825 143 HB2 ALA 17 HB2 ALA 17 -0.404 4.811 2.312 144 HB3 ALA 17 HB3 ALA 17 0.680 4.787 0.919 145 H ARG 18 H ARG 18 0.572 6.013 4.400 146 HA ARG 18 HA ARG 18 3.416 5.240 4.574 147 HB2 ARG 18 HB2 ARG 18 3.160 7.501 5.577 148 HB3 ARG 18 HB3 ARG 18 1.883 6.908 6.632 149 HG2 ARG 18 HG2 ARG 18 3.489 5.457 7.798 150 HG3 ARG 18 HG3 ARG 18 4.772 5.953 6.689 151 HD2 ARG 18 HD2 ARG 18 4.549 8.290 7.505 152 HD3 ARG 18 HD3 ARG 18 3.293 7.765 8.632 153 HE ARG 18 HE ARG 18 5.394 6.168 9.271 154 HH11 ARG 18 HH11 ARG 18 5.083 9.673 9.005 155 HH12 ARG 18 HH12 ARG 18 6.294 9.989 10.210 156 HH21 ARG 18 HH21 ARG 18 6.935 6.602 10.872 157 HH22 ARG 18 HH22 ARG 18 7.347 8.243 11.268 158 H ALA 19 H ALA 19 3.448 3.186 5.134 159 HA ALA 19 HA ALA 19 1.215 1.674 5.867 160 HB1 ALA 19 HB1 ALA 19 3.176 0.679 4.795 161 HB2 ALA 19 HB2 ALA 19 2.807 -0.150 6.310 162 HB3 ALA 19 HB3 ALA 19 4.146 1.002 6.236 163 H VAL 20 H VAL 20 0.165 1.732 7.699 164 HA VAL 20 HA VAL 20 1.454 2.471 10.240 165 HB VAL 20 HB VAL 20 -0.939 2.665 11.091 166 HG11 VAL 20 HG11 VAL 20 -1.361 4.839 10.001 167 HG12 VAL 20 HG12 VAL 20 -0.197 4.449 8.735 168 HG13 VAL 20 HG13 VAL 20 0.349 4.655 10.402 169 HG21 VAL 20 HG21 VAL 20 -2.085 1.220 9.449 170 HG22 VAL 20 HG22 VAL 20 -1.656 2.326 8.142 171 HG23 VAL 20 HG23 VAL 20 -2.772 2.849 9.407 172 H TYR 21 H TYR 21 0.174 -0.286 8.536 173 HA TYR 21 HA TYR 21 0.821 -1.970 10.880 174 HB2 TYR 21 HB2 TYR 21 -1.400 -2.537 8.859 175 HB3 TYR 21 HB3 TYR 21 -0.957 -3.557 10.223 176 HD1 TYR 21 HD2 TYR 21 -0.886 -2.023 12.559 177 HD2 TYR 21 HD1 TYR 21 -3.437 -1.398 9.184 178 HE1 TYR 21 HE2 TYR 21 -2.479 -0.821 13.987 179 HE2 TYR 21 HE1 TYR 21 -5.031 -0.191 10.619 180 HH TYR 21 HH TYR 21 -5.631 -0.031 13.002 181 HA PRO 22 HA PRO 22 3.533 -3.984 7.874 182 HB2 PRO 22 HB2 PRO 22 4.132 -6.289 9.166 183 HB3 PRO 22 HB3 PRO 22 4.662 -4.720 9.808 184 HG2 PRO 22 HG2 PRO 22 2.291 -6.378 10.630 185 HG3 PRO 22 HG3 PRO 22 3.515 -5.588 11.651 186 HD2 PRO 22 HD2 PRO 22 1.072 -4.462 11.166 187 HD3 PRO 22 HD3 PRO 22 2.537 -3.496 11.450 188 H CYS 23 H CYS 23 3.675 -5.965 6.508 189 HA CYS 23 HA CYS 23 1.305 -7.577 6.103 190 HB2 CYS 23 HB2 CYS 23 0.491 -5.579 5.032 191 HB3 CYS 23 HB3 CYS 23 2.030 -5.298 4.225 192 HG CYS 23 HG CYS 23 1.660 -6.828 2.159 193 H GLU 24 H GLU 24 2.635 -9.374 6.151 194 HA GLU 24 HA GLU 24 4.805 -9.696 4.236 195 HB2 GLU 24 HB2 GLU 24 3.507 -11.696 6.145 196 HB3 GLU 24 HB3 GLU 24 4.852 -12.082 5.072 197 HG2 GLU 24 HG2 GLU 24 6.198 -10.308 6.214 198 HG3 GLU 24 HG3 GLU 24 4.868 -10.084 7.346 199 H ALA 25 H ALA 25 4.029 -9.589 2.204 200 HA ALA 25 HA ALA 25 1.498 -10.355 1.270 201 HB1 ALA 25 HB1 ALA 25 2.890 -8.700 0.144 202 HB2 ALA 25 HB2 ALA 25 2.481 -10.000 -0.978 203 HB3 ALA 25 HB3 ALA 25 4.088 -9.931 -0.247 204 H GLU 26 H GLU 26 0.744 -12.342 1.203 205 HA GLU 26 HA GLU 26 2.273 -14.746 1.130 206 HB2 GLU 26 HB2 GLU 26 0.015 -15.856 0.858 207 HB3 GLU 26 HB3 GLU 26 0.137 -14.779 2.248 208 HG2 GLU 26 HG2 GLU 26 -1.036 -13.006 0.977 209 HG3 GLU 26 HG3 GLU 26 -1.154 -14.094 -0.405 210 H HIS 27 H HIS 27 0.639 -12.807 -1.330 211 HA HIS 27 HA HIS 27 1.543 -14.634 -3.487 212 HB2 HIS 27 HB2 HIS 27 -0.587 -12.478 -3.380 213 HB3 HIS 27 HB3 HIS 27 0.037 -13.058 -4.916 214 HD2 HIS 27 HD2 HIS 27 -1.679 -14.820 -1.773 215 HE1 HIS 27 HE1 HIS 27 -3.045 -16.501 -5.404 216 HE2 HIS 27 HE2 HIS 27 -3.353 -16.450 -2.895 217 H SER 28 H SER 28 2.200 -13.412 -5.527 218 HA SER 28 HA SER 28 4.428 -11.670 -4.905 219 HB2 SER 28 HB2 SER 28 4.941 -11.922 -7.337 220 HB3 SER 28 HB3 SER 28 4.686 -13.481 -6.549 221 HG SER 28 HG SER 28 3.347 -12.368 -8.609 222 H SER 29 H SER 29 1.228 -11.368 -6.418 223 HA SER 29 HA SER 29 1.553 -8.814 -7.600 224 HB2 SER 29 HB2 SER 29 -1.030 -10.101 -6.617 225 HB3 SER 29 HB3 SER 29 -0.890 -8.806 -7.813 226 HG SER 29 HG SER 29 -1.120 -11.050 -8.607 227 H GLU 30 H GLU 30 0.416 -9.800 -4.380 228 HA GLU 30 HA GLU 30 -0.135 -7.171 -3.400 229 HB2 GLU 30 HB2 GLU 30 0.382 -9.827 -2.001 230 HB3 GLU 30 HB3 GLU 30 0.106 -8.345 -1.100 231 HG2 GLU 30 HG2 GLU 30 -1.995 -9.330 -1.124 232 HG3 GLU 30 HG3 GLU 30 -2.099 -8.153 -2.425 233 H LEU 31 H LEU 31 1.193 -5.726 -2.252 234 HA LEU 31 HA LEU 31 4.071 -6.033 -2.475 235 HB2 LEU 31 HB2 LEU 31 2.314 -3.788 -1.430 236 HB3 LEU 31 HB3 LEU 31 4.057 -3.749 -1.199 237 HG LEU 31 HG LEU 31 2.663 -3.861 -3.893 238 HD11 LEU 31 HD11 LEU 31 4.079 -1.530 -2.566 239 HD12 LEU 31 HD12 LEU 31 2.336 -1.694 -2.783 240 HD13 LEU 31 HD13 LEU 31 3.383 -1.545 -4.190 241 HD21 LEU 31 HD21 LEU 31 4.841 -4.951 -3.992 242 HD22 LEU 31 HD22 LEU 31 5.611 -3.550 -3.247 243 HD23 LEU 31 HD23 LEU 31 4.887 -3.415 -4.853 244 H SER 32 H SER 32 5.438 -6.635 -0.962 245 HA SER 32 HA SER 32 4.616 -7.252 1.770 246 HB2 SER 32 HB2 SER 32 7.004 -8.075 1.959 247 HB3 SER 32 HB3 SER 32 6.092 -8.854 0.667 248 HG SER 32 HG SER 32 8.386 -7.772 0.377 249 H PHE 33 H PHE 33 5.132 -5.954 3.534 250 HA PHE 33 HA PHE 33 7.050 -3.859 3.490 251 HB2 PHE 33 HB2 PHE 33 5.531 -1.903 3.616 252 HB3 PHE 33 HB3 PHE 33 5.481 -2.699 2.058 253 HD1 PHE 33 HD1 PHE 33 3.557 -1.970 5.136 254 HD2 PHE 33 HD2 PHE 33 3.428 -3.739 1.242 255 HE1 PHE 33 HE1 PHE 33 1.098 -1.944 5.202 256 HE2 PHE 33 HE2 PHE 33 0.968 -3.718 1.319 257 HZ PHE 33 HZ PHE 33 -0.199 -2.814 3.296 258 H GLU 34 H GLU 34 6.740 -2.331 5.361 259 HA GLU 34 HA GLU 34 5.640 -3.599 7.791 260 HB2 GLU 34 HB2 GLU 34 8.462 -2.484 7.416 261 HB3 GLU 34 HB3 GLU 34 7.767 -2.896 8.981 262 HG2 GLU 34 HG2 GLU 34 7.643 -5.250 8.346 263 HG3 GLU 34 HG3 GLU 34 8.207 -4.867 6.721 264 H ILE 35 H ILE 35 5.824 -1.909 9.654 265 HA ILE 35 HA ILE 35 4.299 0.367 8.954 266 HB ILE 35 HB ILE 35 5.803 -0.072 11.580 267 HG12 ILE 35 HG12 ILE 35 2.959 -0.861 10.807 268 HG13 ILE 35 HG13 ILE 35 4.297 -1.982 11.037 269 HG21 ILE 35 HG21 ILE 35 5.031 2.269 11.287 270 HG22 ILE 35 HG22 ILE 35 4.106 1.473 12.559 271 HG23 ILE 35 HG23 ILE 35 3.391 1.698 10.961 272 HD11 ILE 35 HD11 ILE 35 2.822 -1.994 12.947 273 HD12 ILE 35 HD12 ILE 35 3.043 -0.258 13.172 274 HD13 ILE 35 HD13 ILE 35 4.403 -1.362 13.403 275 H GLY 36 H GLY 36 5.059 2.010 7.824 276 HA2 GLY 36 HA2 GLY 36 6.422 4.112 8.118 277 HA3 GLY 36 HA3 GLY 36 7.817 3.055 8.279 278 H ALA 37 H ALA 37 6.097 1.453 6.085 279 HA ALA 37 HA ALA 37 7.665 2.113 3.868 280 HB1 ALA 37 HB1 ALA 37 6.199 0.629 2.590 281 HB2 ALA 37 HB2 ALA 37 4.987 0.681 3.871 282 HB3 ALA 37 HB3 ALA 37 6.550 -0.083 4.163 283 H ILE 38 H ILE 38 7.629 4.081 3.041 284 HA ILE 38 HA ILE 38 5.227 5.676 2.714 285 HB ILE 38 HB ILE 38 8.086 6.183 1.766 286 HG12 ILE 38 HG12 ILE 38 7.935 6.134 4.226 287 HG13 ILE 38 HG13 ILE 38 8.229 7.776 3.674 288 HG21 ILE 38 HG21 ILE 38 6.515 7.436 0.370 289 HG22 ILE 38 HG22 ILE 38 7.387 8.541 1.432 290 HG23 ILE 38 HG23 ILE 38 5.718 8.096 1.801 291 HD11 ILE 38 HD11 ILE 38 5.590 6.653 4.625 292 HD12 ILE 38 HD12 ILE 38 5.840 8.297 4.031 293 HD13 ILE 38 HD13 ILE 38 6.648 7.756 5.503 294 H PHE 39 H PHE 39 3.881 5.232 1.127 295 HA PHE 39 HA PHE 39 4.789 4.119 -1.453 296 HB2 PHE 39 HB2 PHE 39 1.956 4.406 -0.325 297 HB3 PHE 39 HB3 PHE 39 2.382 3.641 -1.856 298 HD1 PHE 39 HD1 PHE 39 3.423 1.426 -1.908 299 HD2 PHE 39 HD2 PHE 39 2.423 3.290 1.805 300 HE1 PHE 39 HE1 PHE 39 3.718 -0.714 -0.740 301 HE2 PHE 39 HE2 PHE 39 2.719 1.143 2.957 302 HZ PHE 39 HZ PHE 39 3.367 -0.851 1.685 303 H GLU 40 H GLU 40 4.357 5.224 -3.341 304 HA GLU 40 HA GLU 40 3.126 7.903 -3.177 305 HB2 GLU 40 HB2 GLU 40 5.723 7.298 -4.669 306 HB3 GLU 40 HB3 GLU 40 4.866 8.835 -4.660 307 HG2 GLU 40 HG2 GLU 40 5.227 8.875 -2.128 308 HG3 GLU 40 HG3 GLU 40 6.313 7.512 -2.354 309 H ASP 41 H ASP 41 2.242 8.652 -5.161 310 HA ASP 41 HA ASP 41 0.691 8.446 -6.765 311 HB2 ASP 41 HB2 ASP 41 2.830 7.866 -8.095 312 HB3 ASP 41 HB3 ASP 41 2.355 6.180 -7.954 313 H VAL 42 H VAL 42 -0.190 7.364 -4.564 314 HA VAL 42 HA VAL 42 -0.977 4.613 -4.765 315 HB VAL 42 HB VAL 42 -2.060 6.726 -2.842 316 HG11 VAL 42 HG11 VAL 42 -2.155 3.680 -2.737 317 HG12 VAL 42 HG12 VAL 42 -3.525 4.761 -2.997 318 HG13 VAL 42 HG13 VAL 42 -2.690 4.759 -1.446 319 HG21 VAL 42 HG21 VAL 42 -0.425 5.851 -1.220 320 HG22 VAL 42 HG22 VAL 42 0.390 6.508 -2.639 321 HG23 VAL 42 HG23 VAL 42 0.229 4.760 -2.445 322 H GLN 43 H GLN 43 -2.613 3.873 -5.824 323 HA GLN 43 HA GLN 43 -4.854 5.536 -6.801 324 HB2 GLN 43 HB2 GLN 43 -3.600 3.108 -8.195 325 HB3 GLN 43 HB3 GLN 43 -4.877 4.137 -8.835 326 HG2 GLN 43 HG2 GLN 43 -2.000 4.964 -8.347 327 HG3 GLN 43 HG3 GLN 43 -2.711 4.583 -9.912 328 HE21 GLN 43 HE21 GLN 43 -1.417 7.048 -9.000 329 HE22 GLN 43 HE22 GLN 43 -2.571 8.311 -9.256 330 H THR 44 H THR 44 -6.741 3.880 -7.390 331 HA THR 44 HA THR 44 -7.003 1.886 -5.215 332 HB THR 44 HB THR 44 -9.191 3.056 -6.973 333 HG1 THR 44 HG1 THR 44 -7.944 3.984 -4.659 334 HG21 THR 44 HG21 THR 44 -10.726 2.237 -5.213 335 HG22 THR 44 HG22 THR 44 -9.360 1.512 -4.364 336 HG23 THR 44 HG23 THR 44 -9.835 0.906 -5.951 337 H SER 45 H SER 45 -7.217 -0.215 -5.687 338 HA SER 45 HA SER 45 -6.910 -1.265 -8.375 339 HB2 SER 45 HB2 SER 45 -5.732 -2.390 -6.540 340 HB3 SER 45 HB3 SER 45 -7.243 -2.642 -5.667 341 HG SER 45 HG SER 45 -6.675 -4.531 -6.740 342 H ARG 46 H ARG 46 -8.409 -3.077 -9.078 343 HA ARG 46 HA ARG 46 -11.111 -2.267 -9.269 344 HB2 ARG 46 HB2 ARG 46 -11.502 -4.398 -10.407 345 HB3 ARG 46 HB3 ARG 46 -9.968 -3.725 -10.949 346 HG2 ARG 46 HG2 ARG 46 -8.728 -5.297 -9.548 347 HG3 ARG 46 HG3 ARG 46 -10.225 -5.889 -8.833 348 HD2 ARG 46 HD2 ARG 46 -10.903 -6.666 -11.156 349 HD3 ARG 46 HD3 ARG 46 -9.262 -6.288 -11.686 350 HE ARG 46 HE ARG 46 -10.021 -8.347 -9.697 351 HH11 ARG 46 HH11 ARG 46 -7.646 -7.097 -11.957 352 HH12 ARG 46 HH12 ARG 46 -6.618 -8.488 -11.826 353 HH21 ARG 46 HH21 ARG 46 -8.694 -10.162 -9.544 354 HH22 ARG 46 HH22 ARG 46 -7.216 -10.232 -10.453 355 H GLU 47 H GLU 47 -9.409 -4.215 -6.968 356 HA GLU 47 HA GLU 47 -11.652 -5.668 -5.857 357 HB2 GLU 47 HB2 GLU 47 -8.752 -5.328 -4.999 358 HB3 GLU 47 HB3 GLU 47 -9.887 -6.406 -4.194 359 HG2 GLU 47 HG2 GLU 47 -9.819 -7.976 -5.845 360 HG3 GLU 47 HG3 GLU 47 -9.599 -6.798 -7.138 361 HA PRO 48 HA PRO 48 -12.785 -2.603 -2.762 362 HB2 PRO 48 HB2 PRO 48 -14.084 -4.156 -0.936 363 HB3 PRO 48 HB3 PRO 48 -14.751 -3.865 -2.557 364 HG2 PRO 48 HG2 PRO 48 -13.251 -6.257 -1.547 365 HG3 PRO 48 HG3 PRO 48 -14.721 -6.194 -2.545 366 HD2 PRO 48 HD2 PRO 48 -12.228 -6.602 -3.603 367 HD3 PRO 48 HD3 PRO 48 -13.539 -5.811 -4.502 368 H GLY 49 H GLY 49 -11.423 -1.623 -1.423 369 HA2 GLY 49 HA2 GLY 49 -10.140 -1.180 0.435 370 HA3 GLY 49 HA3 GLY 49 -10.350 -2.843 0.961 371 H TRP 50 H TRP 50 -9.196 -2.503 -2.253 372 HA TRP 50 HA TRP 50 -6.383 -2.828 -1.370 373 HB2 TRP 50 HB2 TRP 50 -7.780 -3.948 -3.845 374 HB3 TRP 50 HB3 TRP 50 -6.035 -4.010 -3.591 375 HD1 TRP 50 HD1 TRP 50 -9.298 -5.606 -2.351 376 HE1 TRP 50 HE1 TRP 50 -8.743 -7.613 -0.852 377 HE3 TRP 50 HE3 TRP 50 -4.216 -5.065 -2.107 378 HZ2 TRP 50 HZ2 TRP 50 -6.467 -8.814 0.296 379 HZ3 TRP 50 HZ3 TRP 50 -2.929 -6.677 -0.770 380 HH2 TRP 50 HH2 TRP 50 -4.027 -8.523 0.398 381 H LEU 51 H LEU 51 -5.024 -1.305 -1.901 382 HA LEU 51 HA LEU 51 -5.635 0.650 -4.041 383 HB2 LEU 51 HB2 LEU 51 -3.780 0.918 -1.629 384 HB3 LEU 51 HB3 LEU 51 -4.095 2.166 -2.827 385 HG LEU 51 HG LEU 51 -6.091 1.057 -0.817 386 HD11 LEU 51 HD11 LEU 51 -6.056 3.299 0.169 387 HD12 LEU 51 HD12 LEU 51 -4.827 3.809 -0.992 388 HD13 LEU 51 HD13 LEU 51 -4.454 2.562 0.202 389 HD21 LEU 51 HD21 LEU 51 -7.263 1.573 -2.890 390 HD22 LEU 51 HD22 LEU 51 -6.539 3.181 -2.937 391 HD23 LEU 51 HD23 LEU 51 -7.669 2.756 -1.648 392 H GLU 52 H GLU 52 -3.822 1.223 -5.430 393 HA GLU 52 HA GLU 52 -1.527 -0.657 -5.351 394 HB2 GLU 52 HB2 GLU 52 -2.872 0.552 -7.802 395 HB3 GLU 52 HB3 GLU 52 -1.374 -0.378 -7.832 396 HG2 GLU 52 HG2 GLU 52 -2.633 -2.322 -6.854 397 HG3 GLU 52 HG3 GLU 52 -4.114 -1.374 -7.016 398 H GLY 53 H GLY 53 0.403 0.248 -5.146 399 HA2 GLY 53 HA2 GLY 53 0.830 3.122 -5.616 400 HA3 GLY 53 HA3 GLY 53 0.931 2.555 -3.945 401 H THR 54 H THR 54 3.109 3.681 -5.294 402 HA THR 54 HA THR 54 4.832 1.539 -6.269 403 HB THR 54 HB THR 54 5.488 4.516 -5.953 404 HG1 THR 54 HG1 THR 54 4.255 3.095 -8.081 405 HG21 THR 54 HG21 THR 54 7.211 4.083 -7.657 406 HG22 THR 54 HG22 THR 54 6.755 2.378 -7.706 407 HG23 THR 54 HG23 THR 54 7.470 3.059 -6.242 408 H LEU 55 H LEU 55 6.327 0.616 -5.030 409 HA LEU 55 HA LEU 55 7.484 1.901 -2.658 410 HB2 LEU 55 HB2 LEU 55 5.542 0.305 -2.034 411 HB3 LEU 55 HB3 LEU 55 6.541 -0.997 -2.656 412 HG LEU 55 HG LEU 55 8.319 -0.297 -0.947 413 HD11 LEU 55 HD11 LEU 55 7.594 1.021 0.988 414 HD12 LEU 55 HD12 LEU 55 6.035 1.323 0.215 415 HD13 LEU 55 HD13 LEU 55 7.516 1.966 -0.499 416 HD21 LEU 55 HD21 LEU 55 5.673 -1.317 0.141 417 HD22 LEU 55 HD22 LEU 55 7.251 -1.492 0.911 418 HD23 LEU 55 HD23 LEU 55 6.931 -2.292 -0.623 419 H ASN 56 H ASN 56 9.626 1.925 -3.147 420 HA ASN 56 HA ASN 56 11.736 1.369 -3.810 421 HB2 ASN 56 HB2 ASN 56 10.741 -1.519 -3.780 422 HB3 ASN 56 HB3 ASN 56 12.427 -1.021 -3.849 423 HD21 ASN 56 HD21 ASN 56 9.645 -1.410 -1.814 424 HD22 ASN 56 HD22 ASN 56 10.451 -1.113 -0.314 425 H GLY 57 H GLY 57 9.656 1.976 -5.780 426 HA2 GLY 57 HA2 GLY 57 9.537 2.229 -8.073 427 HA3 GLY 57 HA3 GLY 57 10.981 1.240 -8.243 428 H LYS 58 H LYS 58 8.329 0.003 -6.401 429 HA LYS 58 HA LYS 58 7.547 -1.866 -8.562 430 HB2 LYS 58 HB2 LYS 58 9.146 -2.919 -7.007 431 HB3 LYS 58 HB3 LYS 58 8.156 -2.454 -5.646 432 HG2 LYS 58 HG2 LYS 58 6.342 -3.948 -6.475 433 HG3 LYS 58 HG3 LYS 58 7.422 -4.489 -7.771 434 HD2 LYS 58 HD2 LYS 58 8.984 -5.429 -6.170 435 HD3 LYS 58 HD3 LYS 58 8.112 -4.703 -4.814 436 HE2 LYS 58 HE2 LYS 58 6.163 -6.140 -5.314 437 HE3 LYS 58 HE3 LYS 58 7.067 -6.889 -6.635 438 HZ1 LYS 58 HZ1 LYS 58 7.092 -8.158 -4.531 439 HZ2 LYS 58 HZ2 LYS 58 7.953 -6.904 -3.806 440 HZ3 LYS 58 HZ3 LYS 58 8.634 -7.759 -5.088 441 H ARG 59 H ARG 59 5.379 -1.897 -8.825 442 HA ARG 59 HA ARG 59 3.634 -0.762 -6.727 443 HB2 ARG 59 HB2 ARG 59 3.510 0.356 -8.935 444 HB3 ARG 59 HB3 ARG 59 3.085 -1.172 -9.699 445 HG2 ARG 59 HG2 ARG 59 0.956 -1.240 -8.530 446 HG3 ARG 59 HG3 ARG 59 1.393 0.165 -7.552 447 HD2 ARG 59 HD2 ARG 59 0.880 0.109 -10.543 448 HD3 ARG 59 HD3 ARG 59 -0.123 0.876 -9.304 449 HE ARG 59 HE ARG 59 2.554 1.760 -10.182 450 HH11 ARG 59 HH11 ARG 59 -0.465 2.509 -8.545 451 HH12 ARG 59 HH12 ARG 59 -0.068 4.188 -8.364 452 HH21 ARG 59 HH21 ARG 59 3.078 3.914 -9.882 453 HH22 ARG 59 HH22 ARG 59 1.937 4.980 -9.125 454 H GLY 60 H GLY 60 1.906 -1.926 -5.966 455 HA2 GLY 60 HA2 GLY 60 0.982 -4.374 -7.168 456 HA3 GLY 60 HA3 GLY 60 1.912 -4.649 -5.696 457 H LEU 61 H LEU 61 -0.353 -5.587 -5.389 458 HA LEU 61 HA LEU 61 -2.473 -3.829 -4.633 459 HB2 LEU 61 HB2 LEU 61 -2.065 -6.803 -4.117 460 HB3 LEU 61 HB3 LEU 61 -3.560 -5.925 -3.823 461 HG LEU 61 HG LEU 61 -2.274 -6.272 -6.541 462 HD11 LEU 61 HD11 LEU 61 -3.088 -8.413 -5.722 463 HD12 LEU 61 HD12 LEU 61 -4.084 -7.836 -7.055 464 HD13 LEU 61 HD13 LEU 61 -4.675 -7.709 -5.396 465 HD21 LEU 61 HD21 LEU 61 -3.565 -4.208 -6.430 466 HD22 LEU 61 HD22 LEU 61 -4.965 -5.085 -5.806 467 HD23 LEU 61 HD23 LEU 61 -4.392 -5.387 -7.448 468 H ILE 62 H ILE 62 -2.683 -2.862 -2.784 469 HA ILE 62 HA ILE 62 -1.057 -3.586 -0.421 470 HB ILE 62 HB ILE 62 -2.157 -0.833 -1.203 471 HG12 ILE 62 HG12 ILE 62 0.742 -1.760 -1.447 472 HG13 ILE 62 HG13 ILE 62 -0.380 -1.673 -2.799 473 HG21 ILE 62 HG21 ILE 62 -0.153 -1.588 0.957 474 HG22 ILE 62 HG22 ILE 62 -1.833 -1.119 1.227 475 HG23 ILE 62 HG23 ILE 62 -0.687 0.050 0.570 476 HD11 ILE 62 HD11 ILE 62 -0.579 0.730 -2.497 477 HD12 ILE 62 HD12 ILE 62 1.101 0.236 -2.742 478 HD13 ILE 62 HD13 ILE 62 0.531 0.655 -1.123 479 HA PRO 63 HA PRO 63 -5.219 -3.865 1.554 480 HB2 PRO 63 HB2 PRO 63 -4.174 -4.087 4.159 481 HB3 PRO 63 HB3 PRO 63 -4.523 -5.457 3.085 482 HG2 PRO 63 HG2 PRO 63 -1.914 -4.131 3.665 483 HG3 PRO 63 HG3 PRO 63 -2.263 -5.851 3.379 484 HD2 PRO 63 HD2 PRO 63 -1.133 -4.262 1.485 485 HD3 PRO 63 HD3 PRO 63 -2.216 -5.608 1.064 486 H GLN 64 H GLN 64 -6.150 -1.959 1.518 487 HA GLN 64 HA GLN 64 -5.120 0.593 1.785 488 HB2 GLN 64 HB2 GLN 64 -7.220 0.080 0.650 489 HB3 GLN 64 HB3 GLN 64 -7.965 -0.429 2.157 490 HG2 GLN 64 HG2 GLN 64 -7.895 1.885 2.981 491 HG3 GLN 64 HG3 GLN 64 -7.097 2.394 1.494 492 HE21 GLN 64 HE21 GLN 64 -8.739 3.809 0.888 493 HE22 GLN 64 HE22 GLN 64 -10.305 3.279 0.392 494 H ASN 65 H ASN 65 -6.659 -1.415 4.237 495 HA ASN 65 HA ASN 65 -6.922 0.455 6.344 496 HB2 ASN 65 HB2 ASN 65 -8.107 -1.748 6.209 497 HB3 ASN 65 HB3 ASN 65 -6.580 -2.577 6.489 498 HD21 ASN 65 HD21 ASN 65 -7.383 -3.571 8.328 499 HD22 ASN 65 HD22 ASN 65 -7.640 -2.727 9.812 500 H TYR 66 H TYR 66 -4.215 -1.467 5.232 501 HA TYR 66 HA TYR 66 -2.643 -1.202 7.667 502 HB2 TYR 66 HB2 TYR 66 -2.066 -2.489 4.974 503 HB3 TYR 66 HB3 TYR 66 -0.890 -2.438 6.286 504 HD1 TYR 66 HD2 TYR 66 -4.452 -2.950 7.137 505 HD2 TYR 66 HD1 TYR 66 -0.771 -4.919 6.229 506 HE1 TYR 66 HE2 TYR 66 -5.363 -5.049 8.004 507 HE2 TYR 66 HE1 TYR 66 -1.697 -7.020 7.099 508 HH TYR 66 HH TYR 66 -4.959 -7.493 7.709 509 H VAL 67 H VAL 67 -3.229 0.839 5.096 510 HA VAL 67 HA VAL 67 -0.718 2.321 5.604 511 HB VAL 67 HB VAL 67 -0.789 3.207 3.285 512 HG11 VAL 67 HG11 VAL 67 -0.649 0.176 3.435 513 HG12 VAL 67 HG12 VAL 67 0.655 1.307 3.807 514 HG13 VAL 67 HG13 VAL 67 0.045 1.181 2.157 515 HG21 VAL 67 HG21 VAL 67 -3.185 2.926 2.764 516 HG22 VAL 67 HG22 VAL 67 -3.009 1.173 2.782 517 HG23 VAL 67 HG23 VAL 67 -2.193 2.130 1.542 518 H LYS 68 H LYS 68 -0.893 4.601 5.467 519 HA LYS 68 HA LYS 68 -3.596 5.713 5.957 520 HB2 LYS 68 HB2 LYS 68 -2.250 5.584 8.039 521 HB3 LYS 68 HB3 LYS 68 -0.928 6.449 7.263 522 HG2 LYS 68 HG2 LYS 68 -2.422 8.440 7.028 523 HG3 LYS 68 HG3 LYS 68 -3.680 7.557 7.907 524 HD2 LYS 68 HD2 LYS 68 -2.221 7.411 9.889 525 HD3 LYS 68 HD3 LYS 68 -0.920 8.222 9.012 526 HE2 LYS 68 HE2 LYS 68 -2.337 10.250 8.812 527 HE3 LYS 68 HE3 LYS 68 -3.612 9.435 9.723 528 HZ1 LYS 68 HZ1 LYS 68 -2.162 9.307 11.618 529 HZ2 LYS 68 HZ2 LYS 68 -2.261 10.910 11.097 530 HZ3 LYS 68 HZ3 LYS 68 -0.885 9.991 10.753 531 H LEU 69 H LEU 69 -4.071 6.920 4.199 532 HA LEU 69 HA LEU 69 -2.165 7.705 2.267 533 HB2 LEU 69 HB2 LEU 69 -5.047 8.616 2.624 534 HB3 LEU 69 HB3 LEU 69 -4.071 8.898 1.189 535 HG LEU 69 HG LEU 69 -4.989 6.195 2.231 536 HD11 LEU 69 HD11 LEU 69 -5.768 7.641 -0.315 537 HD12 LEU 69 HD12 LEU 69 -6.775 7.472 1.130 538 HD13 LEU 69 HD13 LEU 69 -6.322 6.044 0.204 539 HD21 LEU 69 HD21 LEU 69 -2.772 5.943 1.283 540 HD22 LEU 69 HD22 LEU 69 -3.256 6.807 -0.178 541 HD23 LEU 69 HD23 LEU 69 -3.966 5.238 0.198 542 H LEU 70 H LEU 70 -0.673 9.154 2.679 543 HA LEU 70 HA LEU 70 -0.921 11.383 4.467 544 HB2 LEU 70 HB2 LEU 70 1.217 10.818 2.363 545 HB3 LEU 70 HB3 LEU 70 1.352 11.968 3.684 546 HG LEU 70 HG LEU 70 1.141 8.949 4.014 547 HD11 LEU 70 HD11 LEU 70 3.591 10.720 4.298 548 HD12 LEU 70 HD12 LEU 70 3.280 9.562 3.001 549 HD13 LEU 70 HD13 LEU 70 3.505 8.991 4.651 550 HD21 LEU 70 HD21 LEU 70 0.185 10.122 5.935 551 HD22 LEU 70 HD22 LEU 70 1.656 11.083 6.113 552 HD23 LEU 70 HD23 LEU 70 1.702 9.338 6.375 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -2.197 28.023 -18.778 2 H2 MET 1 H2 MET 1 -2.823 26.727 -17.894 3 H3 MET 1 H3 MET 1 -3.182 26.872 -19.536 4 HA MET 1 HA MET 1 -1.561 25.170 -19.124 5 HB2 MET 1 HB2 MET 1 0.140 25.919 -20.776 6 HB3 MET 1 HB3 MET 1 -1.493 26.293 -21.292 7 HG2 MET 1 HG2 MET 1 0.452 28.294 -20.103 8 HG3 MET 1 HG3 MET 1 0.098 28.106 -21.820 9 HE1 MET 1 HE1 MET 1 -3.130 27.638 -21.784 10 HE2 MET 1 HE2 MET 1 -2.259 28.672 -22.919 11 HE3 MET 1 HE3 MET 1 -3.639 29.312 -22.027 12 H GLY 2 H GLY 2 0.177 24.455 -17.939 13 HA2 GLY 2 HA2 GLY 2 2.167 26.093 -16.731 14 HA3 GLY 2 HA3 GLY 2 0.878 25.768 -15.578 15 H HIS 3 H HIS 3 2.667 23.904 -18.040 16 HA HIS 3 HA HIS 3 3.687 22.107 -15.933 17 HB2 HIS 3 HB2 HIS 3 3.264 20.091 -17.310 18 HB3 HIS 3 HB3 HIS 3 1.778 20.890 -16.842 19 HD1 HIS 3 HD1 HIS 3 0.102 21.014 -18.663 20 HD2 HIS 3 HD2 HIS 3 3.959 20.818 -20.201 21 HE1 HIS 3 HE1 HIS 3 -0.161 20.796 -21.148 22 HE2 HIS 3 HE2 HIS 3 2.176 20.604 -22.042 23 H HIS 4 H HIS 4 5.017 24.239 -17.054 24 HA HIS 4 HA HIS 4 6.678 23.466 -19.273 25 HB2 HIS 4 HB2 HIS 4 6.090 25.839 -18.837 26 HB3 HIS 4 HB3 HIS 4 7.003 25.795 -17.331 27 HD1 HIS 4 HD1 HIS 4 9.593 25.763 -17.511 28 HD2 HIS 4 HD2 HIS 4 7.669 26.115 -21.174 29 HE1 HIS 4 HE1 HIS 4 11.368 26.426 -19.144 30 HE2 HIS 4 HE2 HIS 4 10.183 26.659 -21.346 31 H HIS 5 H HIS 5 7.111 23.504 -15.715 32 HA HIS 5 HA HIS 5 9.891 22.748 -15.815 33 HB2 HIS 5 HB2 HIS 5 8.966 23.936 -13.838 34 HB3 HIS 5 HB3 HIS 5 7.946 22.548 -13.469 35 HD1 HIS 5 HD1 HIS 5 11.563 23.642 -13.487 36 HD2 HIS 5 HD2 HIS 5 9.247 20.491 -12.069 37 HE1 HIS 5 HE1 HIS 5 13.077 22.292 -12.007 38 HE2 HIS 5 HE2 HIS 5 11.693 20.335 -11.278 39 H HIS 6 H HIS 6 6.928 20.989 -14.853 40 HA HIS 6 HA HIS 6 8.249 18.425 -15.515 41 HB2 HIS 6 HB2 HIS 6 6.541 17.312 -14.189 42 HB3 HIS 6 HB3 HIS 6 7.241 18.602 -13.232 43 HD1 HIS 6 HD1 HIS 6 4.058 17.196 -14.199 44 HD2 HIS 6 HD2 HIS 6 5.392 20.982 -13.126 45 HE1 HIS 6 HE1 HIS 6 1.998 18.495 -13.590 46 HE2 HIS 6 HE2 HIS 6 2.833 20.769 -12.938 47 H HIS 7 H HIS 7 7.998 17.946 -17.595 48 HA HIS 7 HA HIS 7 6.420 19.384 -19.375 49 HB2 HIS 7 HB2 HIS 7 8.544 18.132 -19.950 50 HB3 HIS 7 HB3 HIS 7 7.619 16.634 -19.945 51 HD1 HIS 7 HD1 HIS 7 8.319 19.680 -21.978 52 HD2 HIS 7 HD2 HIS 7 5.838 16.351 -22.184 53 HE1 HIS 7 HE1 HIS 7 7.407 19.657 -24.312 54 HE2 HIS 7 HE2 HIS 7 5.744 17.778 -24.328 55 H HIS 8 H HIS 8 5.767 16.338 -17.809 56 HA HIS 8 HA HIS 8 2.999 16.338 -18.889 57 HB2 HIS 8 HB2 HIS 8 4.673 13.915 -18.049 58 HB3 HIS 8 HB3 HIS 8 3.002 13.868 -18.599 59 HD1 HIS 8 HD1 HIS 8 2.623 14.615 -21.174 60 HD2 HIS 8 HD2 HIS 8 6.526 13.717 -20.070 61 HE1 HIS 8 HE1 HIS 8 3.850 14.177 -23.312 62 HE2 HIS 8 HE2 HIS 8 6.180 13.536 -22.611 63 H SER 9 H SER 9 1.386 15.972 -17.415 64 HA SER 9 HA SER 9 1.998 16.271 -14.561 65 HB2 SER 9 HB2 SER 9 0.183 17.660 -15.649 66 HB3 SER 9 HB3 SER 9 -0.717 16.179 -15.968 67 HG SER 9 HG SER 9 -0.758 15.834 -13.690 68 H HIS 10 H HIS 10 2.993 13.912 -15.450 69 HA HIS 10 HA HIS 10 1.091 11.711 -15.256 70 HB2 HIS 10 HB2 HIS 10 2.934 11.696 -16.973 71 HB3 HIS 10 HB3 HIS 10 4.119 11.664 -15.675 72 HD1 HIS 10 HD1 HIS 10 1.851 9.503 -17.645 73 HD2 HIS 10 HD2 HIS 10 4.274 9.139 -14.297 74 HE1 HIS 10 HE1 HIS 10 2.136 7.043 -17.274 75 HE2 HIS 10 HE2 HIS 10 3.479 6.858 -15.163 76 H MET 11 H MET 11 0.659 12.624 -13.067 77 HA MET 11 HA MET 11 1.640 10.770 -11.075 78 HB2 MET 11 HB2 MET 11 1.932 13.793 -10.678 79 HB3 MET 11 HB3 MET 11 1.761 12.703 -9.309 80 HG2 MET 11 HG2 MET 11 3.835 11.574 -9.902 81 HG3 MET 11 HG3 MET 11 3.983 12.564 -11.354 82 HE1 MET 11 HE1 MET 11 6.324 12.235 -9.239 83 HE2 MET 11 HE2 MET 11 6.878 13.897 -9.061 84 HE3 MET 11 HE3 MET 11 6.482 13.272 -10.661 85 H ILE 12 H ILE 12 0.005 10.370 -9.566 86 HA ILE 12 HA ILE 12 -2.663 11.276 -10.335 87 HB ILE 12 HB ILE 12 -1.802 9.176 -8.281 88 HG12 ILE 12 HG12 ILE 12 -2.971 7.607 -9.987 89 HG13 ILE 12 HG13 ILE 12 -2.938 8.958 -11.104 90 HG21 ILE 12 HG21 ILE 12 -4.207 8.540 -8.124 91 HG22 ILE 12 HG22 ILE 12 -4.626 9.915 -9.148 92 HG23 ILE 12 HG23 ILE 12 -3.927 10.185 -7.550 93 HD11 ILE 12 HD11 ILE 12 -1.151 7.392 -11.549 94 HD12 ILE 12 HD12 ILE 12 -0.544 7.574 -9.905 95 HD13 ILE 12 HD13 ILE 12 -0.482 8.936 -11.025 96 H ARG 13 H ARG 13 -2.514 13.425 -9.780 97 HA ARG 13 HA ARG 13 -2.562 15.333 -8.624 98 HB2 ARG 13 HB2 ARG 13 -4.568 14.373 -7.579 99 HB3 ARG 13 HB3 ARG 13 -3.564 13.586 -6.367 100 HG2 ARG 13 HG2 ARG 13 -2.876 15.831 -5.516 101 HG3 ARG 13 HG3 ARG 13 -3.970 16.581 -6.684 102 HD2 ARG 13 HD2 ARG 13 -5.896 15.516 -5.620 103 HD3 ARG 13 HD3 ARG 13 -4.835 14.624 -4.525 104 HE ARG 13 HE ARG 13 -4.671 17.532 -4.440 105 HH11 ARG 13 HH11 ARG 13 -6.012 14.636 -2.966 106 HH12 ARG 13 HH12 ARG 13 -6.371 15.423 -1.461 107 HH21 ARG 13 HH21 ARG 13 -5.124 18.547 -2.444 108 HH22 ARG 13 HH22 ARG 13 -5.867 17.635 -1.169 109 H SER 14 H SER 14 -1.683 13.388 -5.857 110 HA SER 14 HA SER 14 1.102 13.792 -5.806 111 HB2 SER 14 HB2 SER 14 0.404 16.181 -5.353 112 HB3 SER 14 HB3 SER 14 -0.470 15.637 -3.925 113 HG SER 14 HG SER 14 1.367 15.343 -2.884 114 H ARG 15 H ARG 15 -0.657 11.648 -5.523 115 HA ARG 15 HA ARG 15 -1.570 11.193 -2.858 116 HB2 ARG 15 HB2 ARG 15 -1.517 9.544 -5.396 117 HB3 ARG 15 HB3 ARG 15 -1.978 8.795 -3.872 118 HG2 ARG 15 HG2 ARG 15 -3.360 11.186 -5.128 119 HG3 ARG 15 HG3 ARG 15 -3.935 9.514 -5.179 120 HD2 ARG 15 HD2 ARG 15 -3.926 9.559 -2.633 121 HD3 ARG 15 HD3 ARG 15 -3.640 11.298 -2.744 122 HE ARG 15 HE ARG 15 -5.884 10.786 -4.279 123 HH11 ARG 15 HH11 ARG 15 -4.968 10.388 -0.898 124 HH12 ARG 15 HH12 ARG 15 -6.588 10.588 -0.312 125 HH21 ARG 15 HH21 ARG 15 -8.000 11.068 -3.484 126 HH22 ARG 15 HH22 ARG 15 -8.307 10.973 -1.779 127 H LYS 16 H LYS 16 -0.218 10.814 -1.253 128 HA LYS 16 HA LYS 16 1.865 8.714 -1.508 129 HB2 LYS 16 HB2 LYS 16 1.763 11.086 0.407 130 HB3 LYS 16 HB3 LYS 16 2.970 9.801 0.464 131 HG2 LYS 16 HG2 LYS 16 3.843 10.451 -1.716 132 HG3 LYS 16 HG3 LYS 16 2.559 11.649 -1.912 133 HD2 LYS 16 HD2 LYS 16 4.650 12.744 -1.269 134 HD3 LYS 16 HD3 LYS 16 3.444 12.923 0.005 135 HE2 LYS 16 HE2 LYS 16 5.658 12.440 0.953 136 HE3 LYS 16 HE3 LYS 16 4.554 11.104 1.292 137 HZ1 LYS 16 HZ1 LYS 16 6.757 10.382 0.541 138 HZ2 LYS 16 HZ2 LYS 16 6.510 11.163 -0.939 139 HZ3 LYS 16 HZ3 LYS 16 5.529 9.862 -0.493 140 H ALA 17 H ALA 17 2.172 7.458 0.519 141 HA ALA 17 HA ALA 17 0.016 7.473 2.497 142 HB1 ALA 17 HB1 ALA 17 -0.530 5.074 2.245 143 HB2 ALA 17 HB2 ALA 17 0.547 4.967 0.848 144 HB3 ALA 17 HB3 ALA 17 -0.905 5.965 0.765 145 H ARG 18 H ARG 18 0.519 6.089 4.330 146 HA ARG 18 HA ARG 18 3.329 5.241 4.592 147 HB2 ARG 18 HB2 ARG 18 3.113 7.497 5.636 148 HB3 ARG 18 HB3 ARG 18 1.794 6.907 6.644 149 HG2 ARG 18 HG2 ARG 18 3.340 5.352 7.786 150 HG3 ARG 18 HG3 ARG 18 4.660 5.885 6.742 151 HD2 ARG 18 HD2 ARG 18 4.451 8.171 7.681 152 HD3 ARG 18 HD3 ARG 18 3.157 7.606 8.739 153 HE ARG 18 HE ARG 18 5.172 5.950 9.386 154 HH11 ARG 18 HH11 ARG 18 5.091 9.464 9.135 155 HH12 ARG 18 HH12 ARG 18 6.307 9.692 10.349 156 HH21 ARG 18 HH21 ARG 18 6.751 6.281 10.981 157 HH22 ARG 18 HH22 ARG 18 7.246 7.893 11.390 158 H ALA 19 H ALA 19 3.327 3.195 5.170 159 HA ALA 19 HA ALA 19 1.125 1.682 6.057 160 HB1 ALA 19 HB1 ALA 19 2.801 -0.088 6.517 161 HB2 ALA 19 HB2 ALA 19 4.097 1.095 6.316 162 HB3 ALA 19 HB3 ALA 19 3.074 0.672 4.945 163 H VAL 20 H VAL 20 0.164 1.945 7.959 164 HA VAL 20 HA VAL 20 1.618 2.795 10.371 165 HB VAL 20 HB VAL 20 -0.708 2.956 11.385 166 HG11 VAL 20 HG11 VAL 20 -0.229 4.621 8.875 167 HG12 VAL 20 HG12 VAL 20 0.421 4.949 10.483 168 HG13 VAL 20 HG13 VAL 20 -1.317 5.047 10.204 169 HG21 VAL 20 HG21 VAL 20 -1.664 2.447 8.529 170 HG22 VAL 20 HG22 VAL 20 -2.682 2.969 9.875 171 HG23 VAL 20 HG23 VAL 20 -1.920 1.376 9.912 172 H TYR 21 H TYR 21 0.399 -0.028 8.840 173 HA TYR 21 HA TYR 21 1.347 -1.684 11.091 174 HB2 TYR 21 HB2 TYR 21 -1.025 -2.461 9.328 175 HB3 TYR 21 HB3 TYR 21 -0.441 -3.306 10.750 176 HD1 TYR 21 HD2 TYR 21 -0.551 -1.864 13.033 177 HD2 TYR 21 HD1 TYR 21 -2.921 -1.102 9.550 178 HE1 TYR 21 HE2 TYR 21 -2.195 -0.638 14.398 179 HE2 TYR 21 HE1 TYR 21 -4.546 0.114 10.917 180 HH TYR 21 HH TYR 21 -5.274 0.272 13.207 181 HA PRO 22 HA PRO 22 3.573 -3.595 7.622 182 HB2 PRO 22 HB2 PRO 22 4.397 -5.954 8.693 183 HB3 PRO 22 HB3 PRO 22 5.010 -4.401 9.298 184 HG2 PRO 22 HG2 PRO 22 2.905 -6.179 10.487 185 HG3 PRO 22 HG3 PRO 22 4.203 -5.275 11.300 186 HD2 PRO 22 HD2 PRO 22 1.563 -4.404 11.113 187 HD3 PRO 22 HD3 PRO 22 2.951 -3.338 11.400 188 H CYS 23 H CYS 23 3.286 -5.101 5.921 189 HA CYS 23 HA CYS 23 0.883 -6.857 6.046 190 HB2 CYS 23 HB2 CYS 23 0.545 -5.064 4.413 191 HB3 CYS 23 HB3 CYS 23 2.080 -5.438 3.632 192 HG CYS 23 HG CYS 23 0.859 -6.790 1.846 193 H GLU 24 H GLU 24 1.086 -8.931 5.431 194 HA GLU 24 HA GLU 24 3.717 -9.944 4.543 195 HB2 GLU 24 HB2 GLU 24 1.609 -11.301 6.297 196 HB3 GLU 24 HB3 GLU 24 3.037 -12.118 5.656 197 HG2 GLU 24 HG2 GLU 24 4.461 -10.435 6.870 198 HG3 GLU 24 HG3 GLU 24 2.994 -9.787 7.602 199 H ALA 25 H ALA 25 3.444 -9.972 2.389 200 HA ALA 25 HA ALA 25 1.006 -10.468 1.008 201 HB1 ALA 25 HB1 ALA 25 3.863 -10.436 -0.061 202 HB2 ALA 25 HB2 ALA 25 2.782 -9.046 0.040 203 HB3 ALA 25 HB3 ALA 25 2.395 -10.381 -1.046 204 H GLU 26 H GLU 26 0.078 -12.411 0.811 205 HA GLU 26 HA GLU 26 1.568 -14.923 0.956 206 HB2 GLU 26 HB2 GLU 26 -0.626 -16.004 0.964 207 HB3 GLU 26 HB3 GLU 26 -0.600 -14.700 2.145 208 HG2 GLU 26 HG2 GLU 26 -1.850 -13.250 0.589 209 HG3 GLU 26 HG3 GLU 26 -1.868 -14.542 -0.612 210 H HIS 27 H HIS 27 0.668 -12.714 -1.470 211 HA HIS 27 HA HIS 27 1.208 -14.695 -3.595 212 HB2 HIS 27 HB2 HIS 27 -1.304 -14.113 -3.404 213 HB3 HIS 27 HB3 HIS 27 -0.882 -12.484 -3.918 214 HD2 HIS 27 HD2 HIS 27 -1.699 -15.898 -5.401 215 HE1 HIS 27 HE1 HIS 27 -0.085 -13.558 -8.520 216 HE2 HIS 27 HE2 HIS 27 -1.058 -15.800 -7.904 217 H SER 28 H SER 28 2.112 -13.744 -5.524 218 HA SER 28 HA SER 28 4.204 -11.905 -4.973 219 HB2 SER 28 HB2 SER 28 3.296 -13.075 -7.636 220 HB3 SER 28 HB3 SER 28 4.855 -12.305 -7.324 221 HG SER 28 HG SER 28 4.051 -14.850 -6.823 222 H SER 29 H SER 29 1.038 -11.548 -6.431 223 HA SER 29 HA SER 29 1.445 -9.109 -7.844 224 HB2 SER 29 HB2 SER 29 -1.065 -8.998 -7.831 225 HB3 SER 29 HB3 SER 29 -0.454 -10.560 -8.372 226 HG SER 29 HG SER 29 -1.368 -11.472 -6.735 227 H GLU 30 H GLU 30 0.699 -9.917 -4.526 228 HA GLU 30 HA GLU 30 -0.184 -7.315 -3.644 229 HB2 GLU 30 HB2 GLU 30 0.782 -9.690 -1.993 230 HB3 GLU 30 HB3 GLU 30 -0.171 -8.329 -1.407 231 HG2 GLU 30 HG2 GLU 30 -2.078 -9.036 -2.757 232 HG3 GLU 30 HG3 GLU 30 -1.128 -10.348 -3.460 233 H LEU 31 H LEU 31 0.986 -6.189 -1.824 234 HA LEU 31 HA LEU 31 3.924 -6.184 -2.184 235 HB2 LEU 31 HB2 LEU 31 1.997 -3.930 -1.550 236 HB3 LEU 31 HB3 LEU 31 3.703 -3.789 -1.164 237 HG LEU 31 HG LEU 31 2.593 -4.244 -3.951 238 HD11 LEU 31 HD11 LEU 31 2.032 -2.005 -3.213 239 HD12 LEU 31 HD12 LEU 31 3.298 -1.934 -4.433 240 HD13 LEU 31 HD13 LEU 31 3.702 -1.704 -2.728 241 HD21 LEU 31 HD21 LEU 31 4.806 -5.228 -3.699 242 HD22 LEU 31 HD22 LEU 31 5.441 -3.708 -3.060 243 HD23 LEU 31 HD23 LEU 31 4.876 -3.804 -4.732 244 H SER 32 H SER 32 4.923 -7.005 -0.599 245 HA SER 32 HA SER 32 3.953 -7.123 2.160 246 HB2 SER 32 HB2 SER 32 6.144 -8.403 2.477 247 HB3 SER 32 HB3 SER 32 5.038 -9.135 1.316 248 HG SER 32 HG SER 32 7.549 -8.179 0.941 249 H PHE 33 H PHE 33 5.010 -5.966 3.874 250 HA PHE 33 HA PHE 33 7.141 -4.154 3.521 251 HB2 PHE 33 HB2 PHE 33 5.859 -1.964 3.614 252 HB3 PHE 33 HB3 PHE 33 5.750 -2.824 2.091 253 HD1 PHE 33 HD1 PHE 33 3.828 -2.097 5.238 254 HD2 PHE 33 HD2 PHE 33 3.619 -3.352 1.141 255 HE1 PHE 33 HE1 PHE 33 1.377 -1.864 5.278 256 HE2 PHE 33 HE2 PHE 33 1.169 -3.114 1.203 257 HZ PHE 33 HZ PHE 33 0.050 -2.366 3.268 258 H GLU 34 H GLU 34 6.956 -2.306 5.278 259 HA GLU 34 HA GLU 34 6.111 -3.473 7.869 260 HB2 GLU 34 HB2 GLU 34 8.244 -2.666 8.853 261 HB3 GLU 34 HB3 GLU 34 8.528 -3.859 7.591 262 HG2 GLU 34 HG2 GLU 34 9.094 -2.049 6.001 263 HG3 GLU 34 HG3 GLU 34 8.812 -0.851 7.265 264 H ILE 35 H ILE 35 6.377 -1.693 9.622 265 HA ILE 35 HA ILE 35 4.518 0.382 9.032 266 HB ILE 35 HB ILE 35 6.222 -0.003 11.543 267 HG12 ILE 35 HG12 ILE 35 3.358 -0.876 10.985 268 HG13 ILE 35 HG13 ILE 35 4.750 -1.952 10.975 269 HG21 ILE 35 HG21 ILE 35 4.526 1.398 12.696 270 HG22 ILE 35 HG22 ILE 35 3.702 1.672 11.159 271 HG23 ILE 35 HG23 ILE 35 5.333 2.301 11.415 272 HD11 ILE 35 HD11 ILE 35 3.690 -0.462 13.380 273 HD12 ILE 35 HD12 ILE 35 5.090 -1.537 13.365 274 HD13 ILE 35 HD13 ILE 35 3.486 -2.176 13.019 275 H GLY 36 H GLY 36 5.030 2.134 7.933 276 HA2 GLY 36 HA2 GLY 36 6.066 4.354 8.096 277 HA3 GLY 36 HA3 GLY 36 7.602 3.560 8.409 278 H ALA 37 H ALA 37 6.235 1.613 6.202 279 HA ALA 37 HA ALA 37 7.811 2.378 4.005 280 HB1 ALA 37 HB1 ALA 37 7.020 0.062 4.349 281 HB2 ALA 37 HB2 ALA 37 6.532 0.659 2.763 282 HB3 ALA 37 HB3 ALA 37 5.355 0.578 4.077 283 H ILE 38 H ILE 38 7.492 4.185 2.887 284 HA ILE 38 HA ILE 38 4.898 5.444 2.560 285 HB ILE 38 HB ILE 38 7.592 6.325 1.407 286 HG12 ILE 38 HG12 ILE 38 7.664 6.264 3.900 287 HG13 ILE 38 HG13 ILE 38 7.717 7.922 3.311 288 HG21 ILE 38 HG21 ILE 38 4.973 7.863 1.713 289 HG22 ILE 38 HG22 ILE 38 5.687 7.310 0.196 290 HG23 ILE 38 HG23 ILE 38 6.500 8.549 1.149 291 HD11 ILE 38 HD11 ILE 38 5.292 6.521 4.428 292 HD12 ILE 38 HD12 ILE 38 5.362 8.202 3.883 293 HD13 ILE 38 HD13 ILE 38 6.313 7.680 5.271 294 H PHE 39 H PHE 39 3.766 5.600 0.644 295 HA PHE 39 HA PHE 39 4.678 4.002 -1.692 296 HB2 PHE 39 HB2 PHE 39 1.776 4.386 -0.797 297 HB3 PHE 39 HB3 PHE 39 2.365 3.304 -2.052 298 HD1 PHE 39 HD1 PHE 39 3.461 1.166 -1.458 299 HD2 PHE 39 HD2 PHE 39 1.971 3.798 1.569 300 HE1 PHE 39 HE1 PHE 39 3.632 -0.623 0.217 301 HE2 PHE 39 HE2 PHE 39 2.158 2.005 3.219 302 HZ PHE 39 HZ PHE 39 2.983 -0.201 2.547 303 H GLU 40 H GLU 40 4.457 5.004 -3.673 304 HA GLU 40 HA GLU 40 3.507 7.804 -3.707 305 HB2 GLU 40 HB2 GLU 40 5.483 6.395 -5.565 306 HB3 GLU 40 HB3 GLU 40 4.982 8.077 -5.699 307 HG2 GLU 40 HG2 GLU 40 6.601 6.826 -3.468 308 HG3 GLU 40 HG3 GLU 40 7.166 7.981 -4.674 309 H ASP 41 H ASP 41 2.282 8.531 -5.412 310 HA ASP 41 HA ASP 41 0.529 8.560 -6.835 311 HB2 ASP 41 HB2 ASP 41 2.094 6.268 -8.112 312 HB3 ASP 41 HB3 ASP 41 0.787 7.143 -8.916 313 H VAL 42 H VAL 42 -0.256 7.488 -4.585 314 HA VAL 42 HA VAL 42 -1.065 4.740 -4.710 315 HB VAL 42 HB VAL 42 -1.995 6.836 -2.699 316 HG11 VAL 42 HG11 VAL 42 -2.344 4.888 -1.189 317 HG12 VAL 42 HG12 VAL 42 -1.907 3.796 -2.504 318 HG13 VAL 42 HG13 VAL 42 -3.359 4.791 -2.631 319 HG21 VAL 42 HG21 VAL 42 0.445 5.029 -2.544 320 HG22 VAL 42 HG22 VAL 42 -0.132 6.103 -1.267 321 HG23 VAL 42 HG23 VAL 42 0.467 6.780 -2.782 322 H GLN 43 H GLN 43 -2.825 3.960 -5.532 323 HA GLN 43 HA GLN 43 -5.154 5.634 -6.279 324 HB2 GLN 43 HB2 GLN 43 -3.902 3.360 -7.898 325 HB3 GLN 43 HB3 GLN 43 -5.338 4.287 -8.335 326 HG2 GLN 43 HG2 GLN 43 -3.973 6.323 -8.561 327 HG3 GLN 43 HG3 GLN 43 -2.534 5.403 -8.104 328 HE21 GLN 43 HE21 GLN 43 -4.903 5.962 -10.622 329 HE22 GLN 43 HE22 GLN 43 -4.022 5.153 -11.873 330 H THR 44 H THR 44 -7.061 4.133 -6.743 331 HA THR 44 HA THR 44 -7.319 2.083 -4.703 332 HB THR 44 HB THR 44 -9.319 2.719 -6.898 333 HG1 THR 44 HG1 THR 44 -10.128 4.053 -4.869 334 HG21 THR 44 HG21 THR 44 -10.989 1.955 -5.265 335 HG22 THR 44 HG22 THR 44 -9.719 1.692 -4.071 336 HG23 THR 44 HG23 THR 44 -9.775 0.694 -5.524 337 H SER 45 H SER 45 -7.412 -0.144 -5.113 338 HA SER 45 HA SER 45 -6.293 -1.177 -7.590 339 HB2 SER 45 HB2 SER 45 -5.638 -2.194 -5.438 340 HB3 SER 45 HB3 SER 45 -7.313 -2.626 -5.106 341 HG SER 45 HG SER 45 -6.465 -4.427 -5.944 342 H ARG 46 H ARG 46 -7.429 -3.200 -8.570 343 HA ARG 46 HA ARG 46 -10.072 -2.623 -9.451 344 HB2 ARG 46 HB2 ARG 46 -8.717 -5.357 -9.456 345 HB3 ARG 46 HB3 ARG 46 -10.070 -4.857 -10.459 346 HG2 ARG 46 HG2 ARG 46 -7.167 -4.033 -10.685 347 HG3 ARG 46 HG3 ARG 46 -8.140 -4.911 -11.857 348 HD2 ARG 46 HD2 ARG 46 -8.004 -2.778 -12.801 349 HD3 ARG 46 HD3 ARG 46 -9.557 -2.702 -11.961 350 HE ARG 46 HE ARG 46 -7.411 -1.810 -10.301 351 HH11 ARG 46 HH11 ARG 46 -9.446 -0.705 -12.955 352 HH12 ARG 46 HH12 ARG 46 -9.258 0.969 -12.536 353 HH21 ARG 46 HH21 ARG 46 -7.197 0.347 -9.771 354 HH22 ARG 46 HH22 ARG 46 -7.977 1.567 -10.733 355 H GLU 47 H GLU 47 -8.721 -4.484 -6.801 356 HA GLU 47 HA GLU 47 -11.243 -5.493 -5.795 357 HB2 GLU 47 HB2 GLU 47 -8.453 -5.390 -4.560 358 HB3 GLU 47 HB3 GLU 47 -9.842 -6.138 -3.787 359 HG2 GLU 47 HG2 GLU 47 -8.499 -7.868 -4.766 360 HG3 GLU 47 HG3 GLU 47 -9.993 -7.742 -5.695 361 HA PRO 48 HA PRO 48 -12.079 -1.589 -3.420 362 HB2 PRO 48 HB2 PRO 48 -14.384 -3.233 -2.412 363 HB3 PRO 48 HB3 PRO 48 -14.401 -1.640 -3.197 364 HG2 PRO 48 HG2 PRO 48 -15.268 -3.804 -4.501 365 HG3 PRO 48 HG3 PRO 48 -14.358 -2.530 -5.344 366 HD2 PRO 48 HD2 PRO 48 -13.360 -5.199 -4.342 367 HD3 PRO 48 HD3 PRO 48 -13.045 -4.404 -5.900 368 H GLY 49 H GLY 49 -10.708 -1.412 -1.729 369 HA2 GLY 49 HA2 GLY 49 -10.472 -1.785 0.725 370 HA3 GLY 49 HA3 GLY 49 -10.621 -3.507 0.401 371 H TRP 50 H TRP 50 -8.987 -2.845 -2.155 372 HA TRP 50 HA TRP 50 -6.286 -2.758 -0.919 373 HB2 TRP 50 HB2 TRP 50 -7.249 -4.155 -3.467 374 HB3 TRP 50 HB3 TRP 50 -5.551 -3.977 -3.039 375 HD1 TRP 50 HD1 TRP 50 -8.751 -5.616 -1.539 376 HE1 TRP 50 HE1 TRP 50 -8.016 -7.668 -0.177 377 HE3 TRP 50 HE3 TRP 50 -3.696 -5.178 -2.059 378 HZ2 TRP 50 HZ2 TRP 50 -5.621 -8.926 0.578 379 HZ3 TRP 50 HZ3 TRP 50 -2.247 -6.844 -0.979 380 HH2 TRP 50 HH2 TRP 50 -3.194 -8.686 0.311 381 H LEU 51 H LEU 51 -4.628 -1.876 -2.477 382 HA LEU 51 HA LEU 51 -5.552 0.474 -4.002 383 HB2 LEU 51 HB2 LEU 51 -3.441 0.497 -1.798 384 HB3 LEU 51 HB3 LEU 51 -3.787 1.853 -2.863 385 HG LEU 51 HG LEU 51 -5.706 0.682 -0.805 386 HD11 LEU 51 HD11 LEU 51 -3.864 1.877 0.249 387 HD12 LEU 51 HD12 LEU 51 -5.381 2.748 0.443 388 HD13 LEU 51 HD13 LEU 51 -4.192 3.301 -0.741 389 HD21 LEU 51 HD21 LEU 51 -6.082 3.127 -2.573 390 HD22 LEU 51 HD22 LEU 51 -7.173 2.580 -1.294 391 HD23 LEU 51 HD23 LEU 51 -6.938 1.589 -2.730 392 H GLU 52 H GLU 52 -3.889 1.271 -5.496 393 HA GLU 52 HA GLU 52 -1.709 -0.639 -6.112 394 HB2 GLU 52 HB2 GLU 52 -3.313 1.212 -7.926 395 HB3 GLU 52 HB3 GLU 52 -1.874 0.342 -8.459 396 HG2 GLU 52 HG2 GLU 52 -2.976 -1.793 -8.139 397 HG3 GLU 52 HG3 GLU 52 -4.362 -1.013 -7.374 398 H GLY 53 H GLY 53 0.273 0.172 -5.721 399 HA2 GLY 53 HA2 GLY 53 0.877 3.030 -5.934 400 HA3 GLY 53 HA3 GLY 53 0.894 2.372 -4.301 401 H THR 54 H THR 54 3.092 3.508 -5.488 402 HA THR 54 HA THR 54 4.866 1.406 -6.484 403 HB THR 54 HB THR 54 5.386 4.408 -6.290 404 HG1 THR 54 HG1 THR 54 3.496 3.473 -7.663 405 HG21 THR 54 HG21 THR 54 7.036 3.973 -8.089 406 HG22 THR 54 HG22 THR 54 6.647 2.253 -8.039 407 HG23 THR 54 HG23 THR 54 7.416 3.020 -6.649 408 H LEU 55 H LEU 55 6.136 0.428 -5.049 409 HA LEU 55 HA LEU 55 6.983 1.728 -2.523 410 HB2 LEU 55 HB2 LEU 55 5.143 0.107 -2.128 411 HB3 LEU 55 HB3 LEU 55 6.043 -1.133 -2.983 412 HG LEU 55 HG LEU 55 7.808 -1.046 -1.179 413 HD11 LEU 55 HD11 LEU 55 5.879 0.803 0.246 414 HD12 LEU 55 HD12 LEU 55 7.480 1.216 -0.368 415 HD13 LEU 55 HD13 LEU 55 7.319 0.067 0.957 416 HD21 LEU 55 HD21 LEU 55 5.012 -1.707 -0.201 417 HD22 LEU 55 HD22 LEU 55 6.526 -2.296 0.491 418 HD23 LEU 55 HD23 LEU 55 6.067 -2.766 -1.143 419 H ASN 56 H ASN 56 9.125 2.052 -2.859 420 HA ASN 56 HA ASN 56 11.320 1.834 -3.369 421 HB2 ASN 56 HB2 ASN 56 10.840 -1.187 -3.244 422 HB3 ASN 56 HB3 ASN 56 12.401 -0.380 -3.154 423 HD21 ASN 56 HD21 ASN 56 9.520 -1.223 -1.416 424 HD22 ASN 56 HD22 ASN 56 10.074 -0.725 0.145 425 H GLY 57 H GLY 57 9.396 2.114 -5.479 426 HA2 GLY 57 HA2 GLY 57 9.396 2.224 -7.780 427 HA3 GLY 57 HA3 GLY 57 10.946 1.401 -7.809 428 H LYS 58 H LYS 58 8.214 -0.002 -6.129 429 HA LYS 58 HA LYS 58 7.827 -2.018 -8.274 430 HB2 LYS 58 HB2 LYS 58 9.247 -2.929 -6.475 431 HB3 LYS 58 HB3 LYS 58 8.049 -2.463 -5.287 432 HG2 LYS 58 HG2 LYS 58 6.446 -4.083 -6.301 433 HG3 LYS 58 HG3 LYS 58 7.731 -4.611 -7.397 434 HD2 LYS 58 HD2 LYS 58 9.091 -5.373 -5.500 435 HD3 LYS 58 HD3 LYS 58 7.917 -4.718 -4.354 436 HE2 LYS 58 HE2 LYS 58 6.234 -6.329 -5.217 437 HE3 LYS 58 HE3 LYS 58 7.463 -7.013 -6.279 438 HZ1 LYS 58 HZ1 LYS 58 7.267 -8.334 -4.320 439 HZ2 LYS 58 HZ2 LYS 58 7.481 -6.986 -3.324 440 HZ3 LYS 58 HZ3 LYS 58 8.760 -7.538 -4.276 441 H ARG 59 H ARG 59 5.797 -1.953 -8.909 442 HA ARG 59 HA ARG 59 3.659 -0.733 -7.326 443 HB2 ARG 59 HB2 ARG 59 3.919 0.073 -9.624 444 HB3 ARG 59 HB3 ARG 59 3.850 -1.556 -10.264 445 HG2 ARG 59 HG2 ARG 59 1.449 -0.437 -8.805 446 HG3 ARG 59 HG3 ARG 59 1.761 0.056 -10.469 447 HD2 ARG 59 HD2 ARG 59 1.766 -2.381 -11.121 448 HD3 ARG 59 HD3 ARG 59 1.304 -2.782 -9.467 449 HE ARG 59 HE ARG 59 -0.487 -0.915 -10.719 450 HH11 ARG 59 HH11 ARG 59 0.259 -4.355 -10.398 451 HH12 ARG 59 HH12 ARG 59 -1.355 -4.851 -10.810 452 HH21 ARG 59 HH21 ARG 59 -2.554 -1.623 -11.332 453 HH22 ARG 59 HH22 ARG 59 -2.929 -3.314 -11.330 454 H GLY 60 H GLY 60 2.032 -1.933 -6.413 455 HA2 GLY 60 HA2 GLY 60 1.092 -4.400 -7.510 456 HA3 GLY 60 HA3 GLY 60 2.044 -4.659 -6.046 457 H LEU 61 H LEU 61 -0.136 -5.569 -5.544 458 HA LEU 61 HA LEU 61 -2.288 -3.819 -4.810 459 HB2 LEU 61 HB2 LEU 61 -1.777 -6.695 -3.950 460 HB3 LEU 61 HB3 LEU 61 -3.296 -5.826 -3.814 461 HG LEU 61 HG LEU 61 -1.957 -6.667 -6.394 462 HD11 LEU 61 HD11 LEU 61 -3.865 -8.195 -6.661 463 HD12 LEU 61 HD12 LEU 61 -4.463 -7.724 -5.066 464 HD13 LEU 61 HD13 LEU 61 -2.917 -8.567 -5.222 465 HD21 LEU 61 HD21 LEU 61 -4.005 -5.848 -7.511 466 HD22 LEU 61 HD22 LEU 61 -3.104 -4.555 -6.729 467 HD23 LEU 61 HD23 LEU 61 -4.566 -5.188 -5.967 468 H ILE 62 H ILE 62 -2.478 -2.715 -2.978 469 HA ILE 62 HA ILE 62 -0.791 -3.299 -0.617 470 HB ILE 62 HB ILE 62 -2.086 -0.640 -1.412 471 HG12 ILE 62 HG12 ILE 62 0.857 -1.385 -1.720 472 HG13 ILE 62 HG13 ILE 62 -0.301 -1.301 -3.045 473 HG21 ILE 62 HG21 ILE 62 -1.704 -0.869 1.012 474 HG22 ILE 62 HG22 ILE 62 -0.657 0.371 0.322 475 HG23 ILE 62 HG23 ILE 62 0.003 -1.215 0.721 476 HD11 ILE 62 HD11 ILE 62 1.078 0.686 -2.932 477 HD12 ILE 62 HD12 ILE 62 0.520 1.014 -1.292 478 HD13 ILE 62 HD13 ILE 62 -0.616 1.074 -2.645 479 HA PRO 63 HA PRO 63 -4.950 -3.878 1.221 480 HB2 PRO 63 HB2 PRO 63 -3.570 -4.332 3.795 481 HB3 PRO 63 HB3 PRO 63 -4.543 -5.472 2.846 482 HG2 PRO 63 HG2 PRO 63 -1.861 -5.752 3.119 483 HG3 PRO 63 HG3 PRO 63 -2.727 -6.254 1.649 484 HD2 PRO 63 HD2 PRO 63 -1.140 -3.731 2.129 485 HD3 PRO 63 HD3 PRO 63 -1.150 -4.803 0.704 486 H GLN 64 H GLN 64 -5.995 -2.014 1.488 487 HA GLN 64 HA GLN 64 -4.934 0.442 2.323 488 HB2 GLN 64 HB2 GLN 64 -6.926 0.263 0.903 489 HB3 GLN 64 HB3 GLN 64 -7.834 -0.468 2.223 490 HG2 GLN 64 HG2 GLN 64 -7.733 1.599 3.501 491 HG3 GLN 64 HG3 GLN 64 -6.697 2.332 2.285 492 HE21 GLN 64 HE21 GLN 64 -9.287 3.217 3.297 493 HE22 GLN 64 HE22 GLN 64 -10.332 3.332 1.928 494 H ASN 65 H ASN 65 -6.199 -2.178 4.169 495 HA ASN 65 HA ASN 65 -6.941 -0.786 6.567 496 HB2 ASN 65 HB2 ASN 65 -6.457 -3.737 5.980 497 HB3 ASN 65 HB3 ASN 65 -6.981 -3.149 7.555 498 HD21 ASN 65 HD21 ASN 65 -9.050 -2.180 7.730 499 HD22 ASN 65 HD22 ASN 65 -10.290 -2.531 6.581 500 H TYR 66 H TYR 66 -3.903 -1.544 5.271 501 HA TYR 66 HA TYR 66 -2.598 -1.507 7.935 502 HB2 TYR 66 HB2 TYR 66 -1.524 -2.440 5.240 503 HB3 TYR 66 HB3 TYR 66 -0.566 -2.349 6.716 504 HD1 TYR 66 HD2 TYR 66 -2.440 -3.450 8.743 505 HD2 TYR 66 HD1 TYR 66 -1.674 -4.735 4.766 506 HE1 TYR 66 HE2 TYR 66 -3.082 -5.729 9.364 507 HE2 TYR 66 HE1 TYR 66 -2.306 -7.026 5.379 508 HH TYR 66 HH TYR 66 -3.856 -7.771 8.334 509 H VAL 67 H VAL 67 -3.340 0.563 5.373 510 HA VAL 67 HA VAL 67 -0.930 2.231 5.882 511 HB VAL 67 HB VAL 67 -0.879 2.949 3.568 512 HG11 VAL 67 HG11 VAL 67 -1.060 -0.083 3.696 513 HG12 VAL 67 HG12 VAL 67 0.341 0.892 4.152 514 HG13 VAL 67 HG13 VAL 67 -0.202 0.865 2.476 515 HG21 VAL 67 HG21 VAL 67 -3.278 2.919 3.027 516 HG22 VAL 67 HG22 VAL 67 -3.293 1.156 3.064 517 HG23 VAL 67 HG23 VAL 67 -2.371 2.009 1.819 518 H LYS 68 H LYS 68 -1.174 4.457 5.541 519 HA LYS 68 HA LYS 68 -3.871 5.608 5.954 520 HB2 LYS 68 HB2 LYS 68 -2.641 5.541 8.092 521 HB3 LYS 68 HB3 LYS 68 -1.244 6.301 7.339 522 HG2 LYS 68 HG2 LYS 68 -2.768 8.326 6.899 523 HG3 LYS 68 HG3 LYS 68 -3.937 7.541 7.968 524 HD2 LYS 68 HD2 LYS 68 -2.587 9.203 9.204 525 HD3 LYS 68 HD3 LYS 68 -2.291 7.570 9.809 526 HE2 LYS 68 HE2 LYS 68 -0.198 7.478 8.430 527 HE3 LYS 68 HE3 LYS 68 -0.493 9.140 7.916 528 HZ1 LYS 68 HZ1 LYS 68 -0.109 8.292 10.733 529 HZ2 LYS 68 HZ2 LYS 68 -0.249 9.877 10.171 530 HZ3 LYS 68 HZ3 LYS 68 1.101 8.950 9.755 531 H LEU 69 H LEU 69 -4.276 6.833 4.192 532 HA LEU 69 HA LEU 69 -2.390 7.615 2.255 533 HB2 LEU 69 HB2 LEU 69 -5.204 8.670 2.735 534 HB3 LEU 69 HB3 LEU 69 -4.260 8.951 1.283 535 HG LEU 69 HG LEU 69 -5.439 6.314 2.233 536 HD11 LEU 69 HD11 LEU 69 -6.667 6.385 0.113 537 HD12 LEU 69 HD12 LEU 69 -5.905 7.924 -0.298 538 HD13 LEU 69 HD13 LEU 69 -6.995 7.817 1.087 539 HD21 LEU 69 HD21 LEU 69 -3.529 6.741 -0.094 540 HD22 LEU 69 HD22 LEU 69 -4.421 5.254 0.246 541 HD23 LEU 69 HD23 LEU 69 -3.203 5.826 1.382 542 H LEU 70 H LEU 70 -0.814 9.068 2.574 543 HA LEU 70 HA LEU 70 -1.003 11.321 4.361 544 HB2 LEU 70 HB2 LEU 70 1.082 10.731 2.215 545 HB3 LEU 70 HB3 LEU 70 1.224 11.945 3.476 546 HG LEU 70 HG LEU 70 1.154 8.934 3.909 547 HD11 LEU 70 HD11 LEU 70 3.498 9.145 4.575 548 HD12 LEU 70 HD12 LEU 70 3.479 10.863 4.160 549 HD13 LEU 70 HD13 LEU 70 3.250 9.641 2.905 550 HD21 LEU 70 HD21 LEU 70 1.496 11.147 5.961 551 HD22 LEU 70 HD22 LEU 70 1.672 9.415 6.264 552 HD23 LEU 70 HD23 LEU 70 0.107 10.067 5.792 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -8.055 18.883 -21.206 2 H2 MET 1 H2 MET 1 -6.764 18.609 -22.260 3 H3 MET 1 H3 MET 1 -8.253 19.106 -22.868 4 HA MET 1 HA MET 1 -8.082 21.215 -21.826 5 HB2 MET 1 HB2 MET 1 -5.430 20.138 -20.766 6 HB3 MET 1 HB3 MET 1 -5.924 21.823 -20.642 7 HG2 MET 1 HG2 MET 1 -7.689 21.303 -19.134 8 HG3 MET 1 HG3 MET 1 -7.593 19.581 -19.488 9 HE1 MET 1 HE1 MET 1 -4.234 18.596 -17.723 10 HE2 MET 1 HE2 MET 1 -4.441 19.080 -19.405 11 HE3 MET 1 HE3 MET 1 -5.615 18.002 -18.646 12 H GLY 2 H GLY 2 -8.262 21.190 -24.159 13 HA2 GLY 2 HA2 GLY 2 -5.828 21.316 -25.779 14 HA3 GLY 2 HA3 GLY 2 -7.492 21.372 -26.341 15 H HIS 3 H HIS 3 -7.455 23.504 -23.890 16 HA HIS 3 HA HIS 3 -7.599 25.874 -25.361 17 HB2 HIS 3 HB2 HIS 3 -6.871 25.498 -22.409 18 HB3 HIS 3 HB3 HIS 3 -7.330 27.039 -23.129 19 HD1 HIS 3 HD1 HIS 3 -9.855 27.145 -24.059 20 HD2 HIS 3 HD2 HIS 3 -8.976 23.976 -21.524 21 HE1 HIS 3 HE1 HIS 3 -12.071 26.264 -23.285 22 HE2 HIS 3 HE2 HIS 3 -11.500 24.474 -21.611 23 H HIS 4 H HIS 4 -6.101 27.135 -26.263 24 HA HIS 4 HA HIS 4 -3.561 26.311 -26.861 25 HB2 HIS 4 HB2 HIS 4 -4.777 27.943 -28.212 26 HB3 HIS 4 HB3 HIS 4 -4.661 29.149 -26.938 27 HD1 HIS 4 HD1 HIS 4 -2.812 30.779 -27.233 28 HD2 HIS 4 HD2 HIS 4 -2.032 27.220 -29.239 29 HE1 HIS 4 HE1 HIS 4 -0.675 31.159 -28.491 30 HE2 HIS 4 HE2 HIS 4 -0.164 28.963 -29.595 31 H HIS 5 H HIS 5 -4.497 28.460 -24.228 32 HA HIS 5 HA HIS 5 -1.845 28.991 -23.253 33 HB2 HIS 5 HB2 HIS 5 -3.807 30.509 -22.847 34 HB3 HIS 5 HB3 HIS 5 -4.544 29.273 -21.837 35 HD1 HIS 5 HD1 HIS 5 -3.835 29.217 -19.410 36 HD2 HIS 5 HD2 HIS 5 -1.435 31.699 -21.712 37 HE1 HIS 5 HE1 HIS 5 -2.438 30.519 -17.780 38 HE2 HIS 5 HE2 HIS 5 -1.113 32.102 -19.197 39 H HIS 6 H HIS 6 -1.094 26.775 -23.323 40 HA HIS 6 HA HIS 6 -2.062 24.853 -21.327 41 HB2 HIS 6 HB2 HIS 6 0.191 24.680 -23.383 42 HB3 HIS 6 HB3 HIS 6 -0.243 23.379 -22.281 43 HD1 HIS 6 HD1 HIS 6 -1.313 25.027 -25.457 44 HD2 HIS 6 HD2 HIS 6 -2.664 22.027 -22.917 45 HE1 HIS 6 HE1 HIS 6 -3.089 23.792 -26.734 46 HE2 HIS 6 HE2 HIS 6 -3.912 22.012 -25.164 47 H HIS 7 H HIS 7 -1.487 25.388 -19.288 48 HA HIS 7 HA HIS 7 1.330 25.353 -18.549 49 HB2 HIS 7 HB2 HIS 7 0.899 27.797 -18.844 50 HB3 HIS 7 HB3 HIS 7 -0.453 27.706 -17.724 51 HD1 HIS 7 HD1 HIS 7 0.089 28.048 -15.271 52 HD2 HIS 7 HD2 HIS 7 3.501 27.315 -17.543 53 HE1 HIS 7 HE1 HIS 7 2.036 28.388 -13.719 54 HE2 HIS 7 HE2 HIS 7 4.078 28.023 -15.128 55 H HIS 8 H HIS 8 1.435 23.929 -16.914 56 HA HIS 8 HA HIS 8 -0.465 24.118 -14.673 57 HB2 HIS 8 HB2 HIS 8 0.318 21.505 -16.046 58 HB3 HIS 8 HB3 HIS 8 -0.405 21.573 -14.440 59 HD1 HIS 8 HD1 HIS 8 -1.238 21.771 -18.049 60 HD2 HIS 8 HD2 HIS 8 -3.145 22.403 -14.420 61 HE1 HIS 8 HE1 HIS 8 -3.680 21.926 -18.587 62 HE2 HIS 8 HE2 HIS 8 -4.813 22.090 -16.357 63 H SER 9 H SER 9 0.608 24.400 -12.873 64 HA SER 9 HA SER 9 3.315 23.361 -12.404 65 HB2 SER 9 HB2 SER 9 3.630 25.621 -13.374 66 HB3 SER 9 HB3 SER 9 2.548 26.313 -12.165 67 HG SER 9 HG SER 9 5.027 25.007 -11.688 68 H HIS 10 H HIS 10 3.910 23.684 -10.035 69 HA HIS 10 HA HIS 10 3.525 22.916 -7.928 70 HB2 HIS 10 HB2 HIS 10 0.923 24.505 -8.204 71 HB3 HIS 10 HB3 HIS 10 1.527 23.859 -6.685 72 HD1 HIS 10 HD1 HIS 10 3.137 25.308 -5.395 73 HD2 HIS 10 HD2 HIS 10 2.576 26.661 -9.287 74 HE1 HIS 10 HE1 HIS 10 4.312 27.518 -5.521 75 HE2 HIS 10 HE2 HIS 10 3.996 28.294 -7.887 76 H MET 11 H MET 11 0.986 22.039 -6.725 77 HA MET 11 HA MET 11 -0.520 20.371 -6.617 78 HB2 MET 11 HB2 MET 11 -1.653 21.357 -8.501 79 HB3 MET 11 HB3 MET 11 -0.486 20.704 -9.636 80 HG2 MET 11 HG2 MET 11 -1.334 18.393 -9.030 81 HG3 MET 11 HG3 MET 11 -2.637 19.188 -8.139 82 HE1 MET 11 HE1 MET 11 -4.137 17.791 -11.630 83 HE2 MET 11 HE2 MET 11 -4.194 17.576 -9.878 84 HE3 MET 11 HE3 MET 11 -2.757 17.095 -10.786 85 H ILE 12 H ILE 12 0.409 18.570 -5.730 86 HA ILE 12 HA ILE 12 2.212 16.858 -7.155 87 HB ILE 12 HB ILE 12 0.619 16.174 -4.636 88 HG12 ILE 12 HG12 ILE 12 2.042 18.176 -4.251 89 HG13 ILE 12 HG13 ILE 12 2.681 16.790 -3.378 90 HG21 ILE 12 HG21 ILE 12 1.505 14.187 -5.807 91 HG22 ILE 12 HG22 ILE 12 2.387 14.450 -4.303 92 HG23 ILE 12 HG23 ILE 12 3.119 14.902 -5.843 93 HD11 ILE 12 HD11 ILE 12 4.393 16.500 -5.140 94 HD12 ILE 12 HD12 ILE 12 4.468 18.075 -4.353 95 HD13 ILE 12 HD13 ILE 12 3.757 17.932 -5.959 96 H ARG 13 H ARG 13 1.575 15.733 -8.823 97 HA ARG 13 HA ARG 13 -1.089 15.729 -9.700 98 HB2 ARG 13 HB2 ARG 13 -0.176 14.584 -11.708 99 HB3 ARG 13 HB3 ARG 13 0.767 15.988 -11.229 100 HG2 ARG 13 HG2 ARG 13 2.271 14.221 -9.965 101 HG3 ARG 13 HG3 ARG 13 1.501 13.063 -11.057 102 HD2 ARG 13 HD2 ARG 13 3.630 13.821 -11.986 103 HD3 ARG 13 HD3 ARG 13 2.300 14.400 -12.995 104 HE ARG 13 HE ARG 13 3.607 16.121 -10.955 105 HH11 ARG 13 HH11 ARG 13 2.530 15.681 -14.274 106 HH12 ARG 13 HH12 ARG 13 2.904 17.311 -14.737 107 HH21 ARG 13 HH21 ARG 13 4.053 18.272 -11.565 108 HH22 ARG 13 HH22 ARG 13 3.765 18.769 -13.202 109 H SER 14 H SER 14 0.473 13.434 -7.751 110 HA SER 14 HA SER 14 -1.815 11.646 -7.887 111 HB2 SER 14 HB2 SER 14 -0.011 10.745 -9.447 112 HB3 SER 14 HB3 SER 14 1.030 10.544 -8.035 113 HG SER 14 HG SER 14 -0.366 8.701 -8.793 114 H ARG 15 H ARG 15 -1.113 9.814 -6.038 115 HA ARG 15 HA ARG 15 -1.023 11.479 -3.594 116 HB2 ARG 15 HB2 ARG 15 -2.390 8.828 -4.122 117 HB3 ARG 15 HB3 ARG 15 -2.421 9.700 -2.586 118 HG2 ARG 15 HG2 ARG 15 -3.515 11.619 -3.759 119 HG3 ARG 15 HG3 ARG 15 -3.590 10.637 -5.228 120 HD2 ARG 15 HD2 ARG 15 -4.849 9.948 -2.569 121 HD3 ARG 15 HD3 ARG 15 -5.707 10.594 -3.974 122 HE ARG 15 HE ARG 15 -4.396 8.310 -4.836 123 HH11 ARG 15 HH11 ARG 15 -6.940 9.058 -2.540 124 HH12 ARG 15 HH12 ARG 15 -7.692 7.504 -2.688 125 HH21 ARG 15 HH21 ARG 15 -5.340 6.265 -4.969 126 HH22 ARG 15 HH22 ARG 15 -6.781 5.909 -4.073 127 H LYS 16 H LYS 16 -0.299 10.375 -1.604 128 HA LYS 16 HA LYS 16 1.602 8.124 -1.986 129 HB2 LYS 16 HB2 LYS 16 1.819 10.448 -0.024 130 HB3 LYS 16 HB3 LYS 16 2.818 8.999 0.056 131 HG2 LYS 16 HG2 LYS 16 3.751 9.530 -2.174 132 HG3 LYS 16 HG3 LYS 16 2.778 11.004 -2.217 133 HD2 LYS 16 HD2 LYS 16 3.958 11.705 -0.059 134 HD3 LYS 16 HD3 LYS 16 5.041 10.331 -0.302 135 HE2 LYS 16 HE2 LYS 16 6.046 12.413 -1.128 136 HE3 LYS 16 HE3 LYS 16 5.764 11.285 -2.455 137 HZ1 LYS 16 HZ1 LYS 16 5.108 13.504 -3.063 138 HZ2 LYS 16 HZ2 LYS 16 4.056 13.607 -1.750 139 HZ3 LYS 16 HZ3 LYS 16 3.742 12.515 -2.997 140 H ALA 17 H ALA 17 2.006 7.082 0.269 141 HA ALA 17 HA ALA 17 -0.180 7.095 2.176 142 HB1 ALA 17 HB1 ALA 17 -1.031 5.465 0.506 143 HB2 ALA 17 HB2 ALA 17 -0.624 4.654 2.019 144 HB3 ALA 17 HB3 ALA 17 0.470 4.542 0.636 145 H ARG 18 H ARG 18 0.505 6.272 4.193 146 HA ARG 18 HA ARG 18 3.272 5.220 4.382 147 HB2 ARG 18 HB2 ARG 18 3.086 7.511 5.332 148 HB3 ARG 18 HB3 ARG 18 1.801 6.967 6.402 149 HG2 ARG 18 HG2 ARG 18 3.481 5.355 7.431 150 HG3 ARG 18 HG3 ARG 18 4.726 6.155 6.466 151 HD2 ARG 18 HD2 ARG 18 4.655 7.044 8.770 152 HD3 ARG 18 HD3 ARG 18 4.241 8.295 7.592 153 HE ARG 18 HE ARG 18 1.831 7.581 8.165 154 HH11 ARG 18 HH11 ARG 18 4.419 7.788 10.546 155 HH12 ARG 18 HH12 ARG 18 3.326 8.112 11.855 156 HH21 ARG 18 HH21 ARG 18 0.440 7.936 9.865 157 HH22 ARG 18 HH22 ARG 18 1.064 8.192 11.464 158 H ALA 19 H ALA 19 3.283 3.210 5.042 159 HA ALA 19 HA ALA 19 1.001 1.756 5.825 160 HB1 ALA 19 HB1 ALA 19 2.916 0.718 4.691 161 HB2 ALA 19 HB2 ALA 19 2.573 -0.100 6.217 162 HB3 ALA 19 HB3 ALA 19 3.933 1.020 6.105 163 H VAL 20 H VAL 20 0.006 1.889 7.721 164 HA VAL 20 HA VAL 20 1.433 2.664 10.187 165 HB VAL 20 HB VAL 20 -0.878 2.987 11.151 166 HG11 VAL 20 HG11 VAL 20 -1.378 5.078 9.931 167 HG12 VAL 20 HG12 VAL 20 -0.343 4.566 8.594 168 HG13 VAL 20 HG13 VAL 20 0.362 4.896 10.179 169 HG21 VAL 20 HG21 VAL 20 -1.857 2.423 8.314 170 HG22 VAL 20 HG22 VAL 20 -2.855 3.043 9.635 171 HG23 VAL 20 HG23 VAL 20 -2.162 1.423 9.735 172 H TYR 21 H TYR 21 0.385 -0.145 8.604 173 HA TYR 21 HA TYR 21 1.062 -1.754 10.987 174 HB2 TYR 21 HB2 TYR 21 -1.258 -2.423 9.098 175 HB3 TYR 21 HB3 TYR 21 -0.685 -3.435 10.418 176 HD1 TYR 21 HD2 TYR 21 -0.779 -2.378 12.830 177 HD2 TYR 21 HD1 TYR 21 -3.016 -0.910 9.507 178 HE1 TYR 21 HE2 TYR 21 -2.313 -1.218 14.364 179 HE2 TYR 21 HE1 TYR 21 -4.543 0.250 11.031 180 HH TYR 21 HH TYR 21 -3.843 0.758 14.279 181 HA PRO 22 HA PRO 22 3.587 -3.899 7.872 182 HB2 PRO 22 HB2 PRO 22 4.099 -6.285 9.099 183 HB3 PRO 22 HB3 PRO 22 4.794 -4.760 9.688 184 HG2 PRO 22 HG2 PRO 22 2.401 -6.249 10.727 185 HG3 PRO 22 HG3 PRO 22 3.733 -5.495 11.634 186 HD2 PRO 22 HD2 PRO 22 1.306 -4.273 11.296 187 HD3 PRO 22 HD3 PRO 22 2.821 -3.368 11.476 188 H CYS 23 H CYS 23 3.248 -5.167 6.090 189 HA CYS 23 HA CYS 23 0.978 -7.070 6.009 190 HB2 CYS 23 HB2 CYS 23 0.304 -5.171 4.699 191 HB3 CYS 23 HB3 CYS 23 1.876 -5.068 3.911 192 HG CYS 23 HG CYS 23 1.543 -6.999 2.152 193 H GLU 24 H GLU 24 2.270 -8.817 6.379 194 HA GLU 24 HA GLU 24 4.537 -9.494 4.734 195 HB2 GLU 24 HB2 GLU 24 2.878 -11.189 6.653 196 HB3 GLU 24 HB3 GLU 24 4.404 -11.687 5.921 197 HG2 GLU 24 HG2 GLU 24 5.609 -9.932 7.094 198 HG3 GLU 24 HG3 GLU 24 4.107 -9.265 7.729 199 H ALA 25 H ALA 25 3.901 -9.449 2.635 200 HA ALA 25 HA ALA 25 1.492 -10.567 1.587 201 HB1 ALA 25 HB1 ALA 25 3.996 -9.643 0.129 202 HB2 ALA 25 HB2 ALA 25 2.601 -8.640 0.528 203 HB3 ALA 25 HB3 ALA 25 2.429 -9.969 -0.622 204 H GLU 26 H GLU 26 1.511 -12.166 -0.224 205 HA GLU 26 HA GLU 26 3.548 -14.287 -0.010 206 HB2 GLU 26 HB2 GLU 26 1.780 -16.033 0.194 207 HB3 GLU 26 HB3 GLU 26 1.872 -14.973 1.596 208 HG2 GLU 26 HG2 GLU 26 -0.078 -13.681 0.627 209 HG3 GLU 26 HG3 GLU 26 -0.220 -14.943 -0.590 210 H HIS 27 H HIS 27 0.934 -12.712 -1.754 211 HA HIS 27 HA HIS 27 1.397 -14.270 -4.217 212 HB2 HIS 27 HB2 HIS 27 -0.455 -11.896 -3.654 213 HB3 HIS 27 HB3 HIS 27 -0.354 -12.735 -5.194 214 HD2 HIS 27 HD2 HIS 27 -1.452 -13.633 -1.491 215 HE1 HIS 27 HE1 HIS 27 -3.742 -15.808 -4.294 216 HE2 HIS 27 HE2 HIS 27 -3.533 -15.116 -1.873 217 H SER 28 H SER 28 2.451 -13.415 -6.001 218 HA SER 28 HA SER 28 4.406 -11.405 -5.799 219 HB2 SER 28 HB2 SER 28 3.084 -12.441 -8.354 220 HB3 SER 28 HB3 SER 28 4.661 -11.656 -8.239 221 HG SER 28 HG SER 28 5.480 -13.410 -7.228 222 H SER 29 H SER 29 1.053 -11.322 -6.841 223 HA SER 29 HA SER 29 0.866 -8.796 -8.012 224 HB2 SER 29 HB2 SER 29 -1.239 -10.332 -6.433 225 HB3 SER 29 HB3 SER 29 -1.561 -9.000 -7.546 226 HG SER 29 HG SER 29 -0.861 -10.222 -9.238 227 H GLU 30 H GLU 30 0.999 -9.681 -4.620 228 HA GLU 30 HA GLU 30 -0.067 -7.163 -3.607 229 HB2 GLU 30 HB2 GLU 30 1.159 -9.565 -2.183 230 HB3 GLU 30 HB3 GLU 30 0.368 -8.215 -1.382 231 HG2 GLU 30 HG2 GLU 30 -1.759 -8.788 -2.463 232 HG3 GLU 30 HG3 GLU 30 -0.981 -10.132 -3.306 233 H LEU 31 H LEU 31 1.171 -5.993 -1.870 234 HA LEU 31 HA LEU 31 4.075 -5.791 -2.390 235 HB2 LEU 31 HB2 LEU 31 2.065 -3.734 -1.410 236 HB3 LEU 31 HB3 LEU 31 3.782 -3.525 -1.092 237 HG LEU 31 HG LEU 31 2.533 -3.745 -3.853 238 HD11 LEU 31 HD11 LEU 31 3.135 -1.377 -4.119 239 HD12 LEU 31 HD12 LEU 31 3.653 -1.317 -2.430 240 HD13 LEU 31 HD13 LEU 31 1.962 -1.618 -2.827 241 HD21 LEU 31 HD21 LEU 31 5.407 -3.200 -3.069 242 HD22 LEU 31 HD22 LEU 31 4.749 -3.135 -4.708 243 HD23 LEU 31 HD23 LEU 31 4.787 -4.664 -3.838 244 H SER 32 H SER 32 5.442 -6.267 -0.826 245 HA SER 32 HA SER 32 4.473 -7.123 1.826 246 HB2 SER 32 HB2 SER 32 6.733 -8.241 1.983 247 HB3 SER 32 HB3 SER 32 5.776 -8.819 0.619 248 HG SER 32 HG SER 32 7.880 -6.906 0.537 249 H PHE 33 H PHE 33 5.028 -5.904 3.638 250 HA PHE 33 HA PHE 33 7.079 -3.940 3.657 251 HB2 PHE 33 HB2 PHE 33 5.660 -1.891 3.705 252 HB3 PHE 33 HB3 PHE 33 5.669 -2.698 2.154 253 HD1 PHE 33 HD1 PHE 33 3.582 -1.988 5.155 254 HD2 PHE 33 HD2 PHE 33 3.619 -3.482 1.144 255 HE1 PHE 33 HE1 PHE 33 1.129 -1.806 5.061 256 HE2 PHE 33 HE2 PHE 33 1.162 -3.303 1.064 257 HZ PHE 33 HZ PHE 33 -0.077 -2.455 3.020 258 H GLU 34 H GLU 34 6.534 -2.239 5.469 259 HA GLU 34 HA GLU 34 5.386 -3.527 7.848 260 HB2 GLU 34 HB2 GLU 34 7.425 -3.062 9.153 261 HB3 GLU 34 HB3 GLU 34 7.769 -4.168 7.828 262 HG2 GLU 34 HG2 GLU 34 8.737 -2.303 6.516 263 HG3 GLU 34 HG3 GLU 34 8.389 -1.194 7.846 264 H ILE 35 H ILE 35 5.676 -1.861 9.752 265 HA ILE 35 HA ILE 35 4.253 0.499 9.169 266 HB ILE 35 HB ILE 35 5.918 -0.136 11.655 267 HG12 ILE 35 HG12 ILE 35 2.924 -0.467 11.191 268 HG13 ILE 35 HG13 ILE 35 4.088 -1.787 11.153 269 HG21 ILE 35 HG21 ILE 35 4.551 1.580 12.817 270 HG22 ILE 35 HG22 ILE 35 3.752 1.976 11.296 271 HG23 ILE 35 HG23 ILE 35 5.477 2.291 11.489 272 HD11 ILE 35 HD11 ILE 35 3.397 -0.098 13.557 273 HD12 ILE 35 HD12 ILE 35 4.599 -1.394 13.523 274 HD13 ILE 35 HD13 ILE 35 2.896 -1.759 13.243 275 H GLY 36 H GLY 36 4.992 2.218 8.104 276 HA2 GLY 36 HA2 GLY 36 6.460 4.215 8.370 277 HA3 GLY 36 HA3 GLY 36 7.819 3.103 8.397 278 H ALA 37 H ALA 37 6.233 1.506 6.284 279 HA ALA 37 HA ALA 37 7.756 2.193 4.081 280 HB1 ALA 37 HB1 ALA 37 5.143 0.643 4.113 281 HB2 ALA 37 HB2 ALA 37 6.747 -0.033 4.399 282 HB3 ALA 37 HB3 ALA 37 6.342 0.628 2.816 283 H ILE 38 H ILE 38 7.664 4.151 3.187 284 HA ILE 38 HA ILE 38 5.200 5.557 2.592 285 HB ILE 38 HB ILE 38 8.032 6.238 1.672 286 HG12 ILE 38 HG12 ILE 38 7.867 6.235 4.160 287 HG13 ILE 38 HG13 ILE 38 8.122 7.859 3.533 288 HG21 ILE 38 HG21 ILE 38 6.340 7.330 0.265 289 HG22 ILE 38 HG22 ILE 38 7.133 8.531 1.286 290 HG23 ILE 38 HG23 ILE 38 5.513 7.957 1.694 291 HD11 ILE 38 HD11 ILE 38 5.494 6.720 4.488 292 HD12 ILE 38 HD12 ILE 38 5.743 8.355 3.865 293 HD13 ILE 38 HD13 ILE 38 6.535 7.847 5.356 294 H PHE 39 H PHE 39 4.080 5.359 0.787 295 HA PHE 39 HA PHE 39 5.196 4.065 -1.628 296 HB2 PHE 39 HB2 PHE 39 2.241 4.389 -0.884 297 HB3 PHE 39 HB3 PHE 39 2.906 3.437 -2.207 298 HD1 PHE 39 HD2 PHE 39 2.371 3.580 1.434 299 HD2 PHE 39 HD1 PHE 39 3.875 1.219 -1.806 300 HE1 PHE 39 HE2 PHE 39 2.444 1.617 2.898 301 HE2 PHE 39 HE1 PHE 39 3.932 -0.740 -0.316 302 HZ PHE 39 HZ PHE 39 3.219 -0.531 2.023 303 H GLU 40 H GLU 40 4.869 5.148 -3.594 304 HA GLU 40 HA GLU 40 3.567 7.807 -3.520 305 HB2 GLU 40 HB2 GLU 40 6.100 7.087 -5.065 306 HB3 GLU 40 HB3 GLU 40 5.178 8.570 -5.286 307 HG2 GLU 40 HG2 GLU 40 5.590 9.081 -2.829 308 HG3 GLU 40 HG3 GLU 40 6.698 7.713 -2.806 309 H ASP 41 H ASP 41 2.602 8.499 -5.470 310 HA ASP 41 HA ASP 41 1.198 8.366 -7.207 311 HB2 ASP 41 HB2 ASP 41 3.349 7.625 -8.353 312 HB3 ASP 41 HB3 ASP 41 2.856 5.957 -8.099 313 H VAL 42 H VAL 42 0.343 7.244 -4.851 314 HA VAL 42 HA VAL 42 -0.723 4.589 -5.127 315 HB VAL 42 HB VAL 42 -1.410 6.718 -3.055 316 HG11 VAL 42 HG11 VAL 42 -1.926 3.713 -3.001 317 HG12 VAL 42 HG12 VAL 42 -3.155 4.974 -3.138 318 HG13 VAL 42 HG13 VAL 42 -2.209 4.823 -1.656 319 HG21 VAL 42 HG21 VAL 42 0.980 6.175 -3.067 320 HG22 VAL 42 HG22 VAL 42 0.605 4.454 -2.937 321 HG23 VAL 42 HG23 VAL 42 0.206 5.548 -1.608 322 H GLN 43 H GLN 43 -2.538 4.020 -6.136 323 HA GLN 43 HA GLN 43 -4.736 5.930 -6.627 324 HB2 GLN 43 HB2 GLN 43 -3.712 3.885 -8.664 325 HB3 GLN 43 HB3 GLN 43 -5.023 5.031 -8.900 326 HG2 GLN 43 HG2 GLN 43 -2.097 5.770 -8.549 327 HG3 GLN 43 HG3 GLN 43 -2.950 5.678 -10.087 328 HE21 GLN 43 HE21 GLN 43 -2.459 7.829 -10.554 329 HE22 GLN 43 HE22 GLN 43 -3.226 9.159 -9.769 330 H THR 44 H THR 44 -6.790 4.951 -6.562 331 HA THR 44 HA THR 44 -6.998 2.789 -4.691 332 HB THR 44 HB THR 44 -9.354 3.902 -6.238 333 HG1 THR 44 HG1 THR 44 -9.250 5.750 -5.187 334 HG21 THR 44 HG21 THR 44 -10.573 3.563 -4.129 335 HG22 THR 44 HG22 THR 44 -9.093 3.028 -3.339 336 HG23 THR 44 HG23 THR 44 -9.796 2.051 -4.627 337 H SER 45 H SER 45 -7.061 0.686 -5.191 338 HA SER 45 HA SER 45 -6.934 -0.270 -7.886 339 HB2 SER 45 HB2 SER 45 -5.694 -1.346 -5.976 340 HB3 SER 45 HB3 SER 45 -7.234 -1.896 -5.317 341 HG SER 45 HG SER 45 -5.753 -2.872 -7.418 342 H ARG 46 H ARG 46 -8.357 -1.937 -8.778 343 HA ARG 46 HA ARG 46 -11.159 -1.237 -8.550 344 HB2 ARG 46 HB2 ARG 46 -9.920 -3.475 -10.210 345 HB3 ARG 46 HB3 ARG 46 -11.494 -2.723 -10.449 346 HG2 ARG 46 HG2 ARG 46 -8.796 -1.405 -10.860 347 HG3 ARG 46 HG3 ARG 46 -9.886 -1.955 -12.127 348 HD2 ARG 46 HD2 ARG 46 -11.515 -0.242 -11.540 349 HD3 ARG 46 HD3 ARG 46 -10.561 0.239 -10.131 350 HE ARG 46 HE ARG 46 -9.190 0.444 -12.691 351 HH11 ARG 46 HH11 ARG 46 -11.159 2.178 -10.328 352 HH12 ARG 46 HH12 ARG 46 -10.645 3.742 -10.876 353 HH21 ARG 46 HH21 ARG 46 -8.518 2.479 -13.385 354 HH22 ARG 46 HH22 ARG 46 -9.131 3.914 -12.622 355 H GLU 47 H GLU 47 -9.064 -3.568 -7.200 356 HA GLU 47 HA GLU 47 -10.960 -5.609 -6.530 357 HB2 GLU 47 HB2 GLU 47 -8.091 -4.967 -5.775 358 HB3 GLU 47 HB3 GLU 47 -8.962 -6.229 -4.911 359 HG2 GLU 47 HG2 GLU 47 -7.482 -6.998 -6.829 360 HG3 GLU 47 HG3 GLU 47 -9.144 -7.588 -6.829 361 HA PRO 48 HA PRO 48 -13.088 -3.603 -3.286 362 HB2 PRO 48 HB2 PRO 48 -13.976 -5.713 -1.736 363 HB3 PRO 48 HB3 PRO 48 -14.612 -5.360 -3.357 364 HG2 PRO 48 HG2 PRO 48 -12.524 -7.371 -2.559 365 HG3 PRO 48 HG3 PRO 48 -13.912 -7.570 -3.658 366 HD2 PRO 48 HD2 PRO 48 -11.425 -7.132 -4.623 367 HD3 PRO 48 HD3 PRO 48 -12.860 -6.449 -5.420 368 H GLY 49 H GLY 49 -11.882 -2.335 -2.021 369 HA2 GLY 49 HA2 GLY 49 -11.110 -1.618 0.046 370 HA3 GLY 49 HA3 GLY 49 -11.070 -3.284 0.607 371 H TRP 50 H TRP 50 -9.483 -2.904 -2.382 372 HA TRP 50 HA TRP 50 -6.838 -2.948 -1.071 373 HB2 TRP 50 HB2 TRP 50 -7.721 -3.910 -3.836 374 HB3 TRP 50 HB3 TRP 50 -6.033 -3.820 -3.340 375 HD1 TRP 50 HD1 TRP 50 -9.198 -5.923 -2.795 376 HE1 TRP 50 HE1 TRP 50 -8.582 -8.039 -1.472 377 HE3 TRP 50 HE3 TRP 50 -4.316 -4.844 -1.715 378 HZ2 TRP 50 HZ2 TRP 50 -6.350 -9.109 -0.132 379 HZ3 TRP 50 HZ3 TRP 50 -3.013 -6.459 -0.391 380 HH2 TRP 50 HH2 TRP 50 -4.007 -8.548 0.386 381 H LEU 51 H LEU 51 -5.273 -1.508 -1.629 382 HA LEU 51 HA LEU 51 -5.841 0.648 -3.572 383 HB2 LEU 51 HB2 LEU 51 -3.960 0.703 -1.171 384 HB3 LEU 51 HB3 LEU 51 -4.232 2.033 -2.292 385 HG LEU 51 HG LEU 51 -6.266 0.884 -0.338 386 HD11 LEU 51 HD11 LEU 51 -4.880 3.577 -0.351 387 HD12 LEU 51 HD12 LEU 51 -4.550 2.238 0.752 388 HD13 LEU 51 HD13 LEU 51 -6.117 3.042 0.789 389 HD21 LEU 51 HD21 LEU 51 -6.618 3.178 -2.296 390 HD22 LEU 51 HD22 LEU 51 -7.773 2.678 -1.058 391 HD23 LEU 51 HD23 LEU 51 -7.394 1.596 -2.393 392 H GLU 52 H GLU 52 -3.906 1.317 -4.821 393 HA GLU 52 HA GLU 52 -1.681 -0.644 -4.833 394 HB2 GLU 52 HB2 GLU 52 -3.047 0.604 -7.249 395 HB3 GLU 52 HB3 GLU 52 -1.438 -0.113 -7.338 396 HG2 GLU 52 HG2 GLU 52 -2.349 -2.278 -6.588 397 HG3 GLU 52 HG3 GLU 52 -3.963 -1.569 -6.497 398 H GLY 53 H GLY 53 0.348 0.166 -5.064 399 HA2 GLY 53 HA2 GLY 53 0.873 2.985 -5.562 400 HA3 GLY 53 HA3 GLY 53 1.144 2.466 -3.898 401 H THR 54 H THR 54 3.242 3.434 -5.298 402 HA THR 54 HA THR 54 4.826 1.150 -6.236 403 HB THR 54 HB THR 54 5.560 4.121 -6.200 404 HG1 THR 54 HG1 THR 54 5.337 3.529 -8.632 405 HG21 THR 54 HG21 THR 54 7.412 3.471 -7.696 406 HG22 THR 54 HG22 THR 54 6.938 1.776 -7.589 407 HG23 THR 54 HG23 THR 54 7.553 2.609 -6.157 408 H LEU 55 H LEU 55 5.966 0.099 -4.736 409 HA LEU 55 HA LEU 55 7.098 1.478 -2.366 410 HB2 LEU 55 HB2 LEU 55 5.472 -0.335 -1.837 411 HB3 LEU 55 HB3 LEU 55 6.427 -1.467 -2.774 412 HG LEU 55 HG LEU 55 8.322 -1.194 -1.125 413 HD11 LEU 55 HD11 LEU 55 6.341 0.433 0.505 414 HD12 LEU 55 HD12 LEU 55 7.806 1.046 -0.264 415 HD13 LEU 55 HD13 LEU 55 7.927 -0.121 1.051 416 HD21 LEU 55 HD21 LEU 55 6.753 -3.063 -0.947 417 HD22 LEU 55 HD22 LEU 55 5.695 -2.096 0.083 418 HD23 LEU 55 HD23 LEU 55 7.306 -2.546 0.645 419 H ASN 56 H ASN 56 9.222 1.843 -2.613 420 HA ASN 56 HA ASN 56 11.337 1.897 -3.358 421 HB2 ASN 56 HB2 ASN 56 10.979 -1.059 -3.975 422 HB3 ASN 56 HB3 ASN 56 12.520 -0.211 -3.983 423 HD21 ASN 56 HD21 ASN 56 9.987 -1.521 -1.994 424 HD22 ASN 56 HD22 ASN 56 10.831 -1.421 -0.488 425 H GLY 57 H GLY 57 10.017 -0.430 -5.676 426 HA2 GLY 57 HA2 GLY 57 9.646 1.562 -7.762 427 HA3 GLY 57 HA3 GLY 57 10.940 0.402 -8.060 428 H LYS 58 H LYS 58 8.201 -0.680 -6.224 429 HA LYS 58 HA LYS 58 7.312 -2.327 -8.522 430 HB2 LYS 58 HB2 LYS 58 8.440 -3.627 -6.706 431 HB3 LYS 58 HB3 LYS 58 7.257 -3.035 -5.554 432 HG2 LYS 58 HG2 LYS 58 5.449 -4.123 -6.925 433 HG3 LYS 58 HG3 LYS 58 6.704 -4.827 -7.946 434 HD2 LYS 58 HD2 LYS 58 7.537 -6.177 -6.114 435 HD3 LYS 58 HD3 LYS 58 6.520 -5.322 -4.947 436 HE2 LYS 58 HE2 LYS 58 4.501 -6.213 -6.087 437 HE3 LYS 58 HE3 LYS 58 5.533 -7.099 -7.209 438 HZ1 LYS 58 HZ1 LYS 58 4.776 -8.547 -5.496 439 HZ2 LYS 58 HZ2 LYS 58 5.318 -7.508 -4.284 440 HZ3 LYS 58 HZ3 LYS 58 6.431 -8.303 -5.277 441 H ARG 59 H ARG 59 5.255 -2.157 -9.082 442 HA ARG 59 HA ARG 59 3.254 -0.770 -7.443 443 HB2 ARG 59 HB2 ARG 59 3.439 -0.101 -9.806 444 HB3 ARG 59 HB3 ARG 59 3.220 -1.765 -10.321 445 HG2 ARG 59 HG2 ARG 59 1.181 -0.434 -10.667 446 HG3 ARG 59 HG3 ARG 59 0.905 -1.758 -9.529 447 HD2 ARG 59 HD2 ARG 59 -0.165 0.404 -8.874 448 HD3 ARG 59 HD3 ARG 59 0.938 -0.238 -7.655 449 HE ARG 59 HE ARG 59 2.615 1.379 -8.777 450 HH11 ARG 59 HH11 ARG 59 -0.805 2.122 -8.359 451 HH12 ARG 59 HH12 ARG 59 -0.521 3.833 -8.287 452 HH21 ARG 59 HH21 ARG 59 2.950 3.559 -8.605 453 HH22 ARG 59 HH22 ARG 59 1.599 4.634 -8.428 454 H GLY 60 H GLY 60 1.887 -1.961 -6.221 455 HA2 GLY 60 HA2 GLY 60 0.828 -4.507 -7.118 456 HA3 GLY 60 HA3 GLY 60 1.909 -4.623 -5.730 457 H LEU 61 H LEU 61 -0.355 -5.550 -5.221 458 HA LEU 61 HA LEU 61 -2.414 -3.747 -4.410 459 HB2 LEU 61 HB2 LEU 61 -1.974 -6.722 -3.966 460 HB3 LEU 61 HB3 LEU 61 -3.367 -5.865 -3.327 461 HG LEU 61 HG LEU 61 -2.694 -6.119 -6.263 462 HD11 LEU 61 HD11 LEU 61 -4.605 -7.636 -6.404 463 HD12 LEU 61 HD12 LEU 61 -4.841 -7.514 -4.657 464 HD13 LEU 61 HD13 LEU 61 -3.374 -8.256 -5.303 465 HD21 LEU 61 HD21 LEU 61 -5.139 -4.904 -4.943 466 HD22 LEU 61 HD22 LEU 61 -4.925 -5.154 -6.679 467 HD23 LEU 61 HD23 LEU 61 -3.880 -4.028 -5.817 468 H ILE 62 H ILE 62 -2.615 -2.796 -2.593 469 HA ILE 62 HA ILE 62 -0.995 -3.393 -0.215 470 HB ILE 62 HB ILE 62 -2.321 -0.770 -1.079 471 HG12 ILE 62 HG12 ILE 62 0.642 -1.488 -1.197 472 HG13 ILE 62 HG13 ILE 62 -0.429 -1.356 -2.587 473 HG21 ILE 62 HG21 ILE 62 -0.383 -1.265 1.200 474 HG22 ILE 62 HG22 ILE 62 -2.117 -0.989 1.369 475 HG23 ILE 62 HG23 ILE 62 -1.075 0.291 0.745 476 HD11 ILE 62 HD11 ILE 62 -0.753 1.022 -2.096 477 HD12 ILE 62 HD12 ILE 62 0.938 0.608 -2.382 478 HD13 ILE 62 HD13 ILE 62 0.368 0.885 -0.736 479 HA PRO 63 HA PRO 63 -5.138 -3.998 1.684 480 HB2 PRO 63 HB2 PRO 63 -3.682 -4.185 4.272 481 HB3 PRO 63 HB3 PRO 63 -4.683 -5.414 3.461 482 HG2 PRO 63 HG2 PRO 63 -1.993 -5.656 3.669 483 HG3 PRO 63 HG3 PRO 63 -2.919 -6.316 2.300 484 HD2 PRO 63 HD2 PRO 63 -1.273 -3.795 2.415 485 HD3 PRO 63 HD3 PRO 63 -1.424 -4.990 1.107 486 H GLN 64 H GLN 64 -6.240 -2.164 1.814 487 HA GLN 64 HA GLN 64 -5.338 0.420 2.205 488 HB2 GLN 64 HB2 GLN 64 -7.450 -0.082 1.128 489 HB3 GLN 64 HB3 GLN 64 -8.097 -0.801 2.596 490 HG2 GLN 64 HG2 GLN 64 -8.073 1.461 3.663 491 HG3 GLN 64 HG3 GLN 64 -7.506 2.138 2.133 492 HE21 GLN 64 HE21 GLN 64 -9.384 3.442 1.998 493 HE22 GLN 64 HE22 GLN 64 -10.914 2.777 1.550 494 H ASN 65 H ASN 65 -6.661 -1.830 4.577 495 HA ASN 65 HA ASN 65 -6.881 -0.079 6.793 496 HB2 ASN 65 HB2 ASN 65 -6.640 -3.113 6.676 497 HB3 ASN 65 HB3 ASN 65 -7.047 -2.212 8.136 498 HD21 ASN 65 HD21 ASN 65 -8.588 -4.225 6.686 499 HD22 ASN 65 HD22 ASN 65 -10.090 -3.475 6.277 500 H TYR 66 H TYR 66 -4.157 -1.774 5.434 501 HA TYR 66 HA TYR 66 -2.522 -1.510 7.854 502 HB2 TYR 66 HB2 TYR 66 -2.001 -2.837 5.166 503 HB3 TYR 66 HB3 TYR 66 -0.763 -2.687 6.412 504 HD1 TYR 66 HD2 TYR 66 -3.773 -3.193 8.202 505 HD2 TYR 66 HD1 TYR 66 -0.998 -5.316 5.738 506 HE1 TYR 66 HE2 TYR 66 -4.489 -5.308 9.214 507 HE2 TYR 66 HE1 TYR 66 -1.723 -7.432 6.753 508 HH TYR 66 HH TYR 66 -2.780 -8.187 8.889 509 H VAL 67 H VAL 67 -3.317 0.558 5.374 510 HA VAL 67 HA VAL 67 -0.894 2.190 5.893 511 HB VAL 67 HB VAL 67 -0.995 3.150 3.617 512 HG11 VAL 67 HG11 VAL 67 -0.658 0.136 3.608 513 HG12 VAL 67 HG12 VAL 67 0.570 1.335 4.018 514 HG13 VAL 67 HG13 VAL 67 -0.054 1.247 2.373 515 HG21 VAL 67 HG21 VAL 67 -3.116 1.045 3.013 516 HG22 VAL 67 HG22 VAL 67 -2.340 2.089 1.813 517 HG23 VAL 67 HG23 VAL 67 -3.356 2.793 3.070 518 H LYS 68 H LYS 68 -1.249 4.511 5.411 519 HA LYS 68 HA LYS 68 -4.027 5.473 5.515 520 HB2 LYS 68 HB2 LYS 68 -3.118 5.417 7.864 521 HB3 LYS 68 HB3 LYS 68 -1.808 6.480 7.362 522 HG2 LYS 68 HG2 LYS 68 -3.492 8.224 6.780 523 HG3 LYS 68 HG3 LYS 68 -4.766 7.152 7.372 524 HD2 LYS 68 HD2 LYS 68 -3.699 7.193 9.632 525 HD3 LYS 68 HD3 LYS 68 -2.486 8.320 9.019 526 HE2 LYS 68 HE2 LYS 68 -4.201 9.548 10.239 527 HE3 LYS 68 HE3 LYS 68 -4.298 9.961 8.526 528 HZ1 LYS 68 HZ1 LYS 68 -6.052 8.003 9.917 529 HZ2 LYS 68 HZ2 LYS 68 -6.173 8.466 8.296 530 HZ3 LYS 68 HZ3 LYS 68 -6.480 9.588 9.522 531 H LEU 69 H LEU 69 -4.262 6.802 3.828 532 HA LEU 69 HA LEU 69 -2.256 7.428 2.009 533 HB2 LEU 69 HB2 LEU 69 -4.978 8.751 2.318 534 HB3 LEU 69 HB3 LEU 69 -3.946 8.889 0.901 535 HG LEU 69 HG LEU 69 -5.260 6.330 1.898 536 HD11 LEU 69 HD11 LEU 69 -5.858 7.998 -0.568 537 HD12 LEU 69 HD12 LEU 69 -6.858 7.892 0.885 538 HD13 LEU 69 HD13 LEU 69 -6.628 6.470 -0.128 539 HD21 LEU 69 HD21 LEU 69 -4.414 5.312 -0.212 540 HD22 LEU 69 HD22 LEU 69 -3.123 5.774 0.892 541 HD23 LEU 69 HD23 LEU 69 -3.474 6.777 -0.520 542 H LEU 70 H LEU 70 -0.787 8.974 1.874 543 HA LEU 70 HA LEU 70 -0.882 11.372 3.577 544 HB2 LEU 70 HB2 LEU 70 1.325 10.451 1.677 545 HB3 LEU 70 HB3 LEU 70 1.434 11.750 2.853 546 HG LEU 70 HG LEU 70 1.150 8.793 3.513 547 HD11 LEU 70 HD11 LEU 70 3.346 9.306 2.588 548 HD12 LEU 70 HD12 LEU 70 3.458 8.908 4.299 549 HD13 LEU 70 HD13 LEU 70 3.578 10.593 3.776 550 HD21 LEU 70 HD21 LEU 70 1.538 11.142 5.401 551 HD22 LEU 70 HD22 LEU 70 1.550 9.433 5.851 552 HD23 LEU 70 HD23 LEU 70 0.076 10.166 5.227 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -7.006 24.360 -21.750 2 H2 MET 1 H2 MET 1 -8.129 24.738 -20.546 3 H3 MET 1 H3 MET 1 -8.506 23.595 -21.730 4 HA MET 1 HA MET 1 -6.372 23.334 -19.698 5 HB2 MET 1 HB2 MET 1 -8.669 23.204 -18.729 6 HB3 MET 1 HB3 MET 1 -9.088 21.945 -19.881 7 HG2 MET 1 HG2 MET 1 -7.510 20.410 -18.832 8 HG3 MET 1 HG3 MET 1 -6.949 21.688 -17.750 9 HE1 MET 1 HE1 MET 1 -7.392 20.130 -15.583 10 HE2 MET 1 HE2 MET 1 -7.909 18.829 -16.657 11 HE3 MET 1 HE3 MET 1 -8.925 19.309 -15.298 12 H GLY 2 H GLY 2 -4.737 22.157 -20.610 13 HA2 GLY 2 HA2 GLY 2 -4.430 19.701 -21.396 14 HA3 GLY 2 HA3 GLY 2 -5.324 20.243 -22.811 15 H HIS 3 H HIS 3 -3.174 19.322 -23.648 16 HA HIS 3 HA HIS 3 -1.617 21.591 -24.548 17 HB2 HIS 3 HB2 HIS 3 -0.410 20.871 -22.448 18 HB3 HIS 3 HB3 HIS 3 -0.139 19.292 -23.176 19 HD1 HIS 3 HD1 HIS 3 0.923 22.916 -23.466 20 HD2 HIS 3 HD2 HIS 3 2.035 19.198 -24.956 21 HE1 HIS 3 HE1 HIS 3 3.114 23.277 -24.640 22 HE2 HIS 3 HE2 HIS 3 3.678 21.058 -25.658 23 H HIS 4 H HIS 4 -1.561 17.989 -24.499 24 HA HIS 4 HA HIS 4 -2.352 17.884 -27.291 25 HB2 HIS 4 HB2 HIS 4 0.145 17.988 -27.502 26 HB3 HIS 4 HB3 HIS 4 0.295 16.569 -26.468 27 HD1 HIS 4 HD1 HIS 4 -0.031 14.269 -27.587 28 HD2 HIS 4 HD2 HIS 4 -0.938 17.437 -30.128 29 HE1 HIS 4 HE1 HIS 4 -0.334 13.250 -29.862 30 HE2 HIS 4 HE2 HIS 4 -0.900 15.179 -31.372 31 H HIS 5 H HIS 5 -1.085 15.972 -24.527 32 HA HIS 5 HA HIS 5 -2.978 13.788 -25.092 33 HB2 HIS 5 HB2 HIS 5 -1.719 12.442 -23.552 34 HB3 HIS 5 HB3 HIS 5 -0.547 13.309 -24.529 35 HD1 HIS 5 HD1 HIS 5 0.965 15.032 -23.298 36 HD2 HIS 5 HD2 HIS 5 -1.711 13.088 -20.799 37 HE1 HIS 5 HE1 HIS 5 1.722 15.547 -20.962 38 HE2 HIS 5 HE2 HIS 5 0.076 14.376 -19.472 39 H HIS 6 H HIS 6 -3.742 16.508 -24.005 40 HA HIS 6 HA HIS 6 -5.035 17.547 -22.507 41 HB2 HIS 6 HB2 HIS 6 -5.683 14.764 -21.440 42 HB3 HIS 6 HB3 HIS 6 -6.459 16.236 -20.872 43 HD1 HIS 6 HD1 HIS 6 -8.776 16.173 -21.778 44 HD2 HIS 6 HD2 HIS 6 -6.006 14.939 -24.613 45 HE1 HIS 6 HE1 HIS 6 -10.094 15.770 -23.871 46 HE2 HIS 6 HE2 HIS 6 -8.423 14.830 -25.502 47 H HIS 7 H HIS 7 -5.232 17.991 -20.054 48 HA HIS 7 HA HIS 7 -2.668 17.462 -18.660 49 HB2 HIS 7 HB2 HIS 7 -2.609 19.707 -19.775 50 HB3 HIS 7 HB3 HIS 7 -4.030 20.185 -18.864 51 HD1 HIS 7 HD1 HIS 7 -3.693 20.483 -16.238 52 HD2 HIS 7 HD2 HIS 7 -0.195 20.001 -18.428 53 HE1 HIS 7 HE1 HIS 7 -1.842 21.253 -14.736 54 HE2 HIS 7 HE2 HIS 7 0.223 21.152 -16.158 55 H HIS 8 H HIS 8 -2.981 16.814 -16.611 56 HA HIS 8 HA HIS 8 -4.014 15.891 -14.826 57 HB2 HIS 8 HB2 HIS 8 -4.362 18.378 -14.288 58 HB3 HIS 8 HB3 HIS 8 -5.986 18.236 -14.948 59 HD1 HIS 8 HD1 HIS 8 -7.620 16.564 -13.603 60 HD2 HIS 8 HD2 HIS 8 -4.102 17.604 -11.655 61 HE1 HIS 8 HE1 HIS 8 -7.966 15.933 -11.202 62 HE2 HIS 8 HE2 HIS 8 -5.852 16.650 -10.040 63 H SER 9 H SER 9 -4.542 14.581 -16.983 64 HA SER 9 HA SER 9 -7.291 14.477 -17.860 65 HB2 SER 9 HB2 SER 9 -6.409 12.530 -19.246 66 HB3 SER 9 HB3 SER 9 -5.555 14.050 -19.472 67 HG SER 9 HG SER 9 -4.557 11.704 -18.747 68 H HIS 10 H HIS 10 -5.672 13.100 -15.220 69 HA HIS 10 HA HIS 10 -7.918 11.353 -14.595 70 HB2 HIS 10 HB2 HIS 10 -6.440 9.824 -15.805 71 HB3 HIS 10 HB3 HIS 10 -5.060 10.309 -14.824 72 HD1 HIS 10 HD1 HIS 10 -4.628 8.940 -12.803 73 HD2 HIS 10 HD2 HIS 10 -8.498 8.406 -14.197 74 HE1 HIS 10 HE1 HIS 10 -5.635 7.189 -11.329 75 HE2 HIS 10 HE2 HIS 10 -7.950 6.841 -12.224 76 H MET 11 H MET 11 -8.470 11.868 -12.595 77 HA MET 11 HA MET 11 -6.694 13.229 -10.752 78 HB2 MET 11 HB2 MET 11 -9.070 13.904 -11.006 79 HB3 MET 11 HB3 MET 11 -9.600 12.331 -10.422 80 HG2 MET 11 HG2 MET 11 -8.604 12.805 -8.225 81 HG3 MET 11 HG3 MET 11 -8.012 14.359 -8.818 82 HE1 MET 11 HE1 MET 11 -9.199 15.468 -6.639 83 HE2 MET 11 HE2 MET 11 -9.802 13.878 -6.167 84 HE3 MET 11 HE3 MET 11 -10.910 15.247 -6.275 85 H ILE 12 H ILE 12 -6.184 12.476 -8.623 86 HA ILE 12 HA ILE 12 -5.085 11.077 -7.254 87 HB ILE 12 HB ILE 12 -7.334 9.090 -7.776 88 HG12 ILE 12 HG12 ILE 12 -8.313 11.285 -7.166 89 HG13 ILE 12 HG13 ILE 12 -8.554 10.114 -5.881 90 HG21 ILE 12 HG21 ILE 12 -6.850 8.291 -5.476 91 HG22 ILE 12 HG22 ILE 12 -5.501 9.425 -5.367 92 HG23 ILE 12 HG23 ILE 12 -5.457 8.109 -6.545 93 HD11 ILE 12 HD11 ILE 12 -6.467 12.289 -5.898 94 HD12 ILE 12 HD12 ILE 12 -6.770 11.145 -4.585 95 HD13 ILE 12 HD13 ILE 12 -8.002 12.320 -5.038 96 H ARG 13 H ARG 13 -3.289 10.812 -8.585 97 HA ARG 13 HA ARG 13 -2.889 8.122 -9.722 98 HB2 ARG 13 HB2 ARG 13 -2.006 8.993 -11.823 99 HB3 ARG 13 HB3 ARG 13 -3.654 9.558 -11.598 100 HG2 ARG 13 HG2 ARG 13 -2.988 11.709 -11.898 101 HG3 ARG 13 HG3 ARG 13 -1.893 11.587 -10.521 102 HD2 ARG 13 HD2 ARG 13 -1.258 10.912 -13.414 103 HD3 ARG 13 HD3 ARG 13 -0.664 12.294 -12.488 104 HE ARG 13 HE ARG 13 -0.009 9.524 -11.678 105 HH11 ARG 13 HH11 ARG 13 1.145 12.725 -12.630 106 HH12 ARG 13 HH12 ARG 13 2.796 12.356 -12.245 107 HH21 ARG 13 HH21 ARG 13 2.137 9.081 -11.167 108 HH22 ARG 13 HH22 ARG 13 3.358 10.297 -11.417 109 H SER 14 H SER 14 -1.788 10.601 -7.833 110 HA SER 14 HA SER 14 0.951 9.610 -7.707 111 HB2 SER 14 HB2 SER 14 0.933 11.392 -9.517 112 HB3 SER 14 HB3 SER 14 0.391 12.555 -8.316 113 HG SER 14 HG SER 14 2.341 12.292 -7.228 114 H ARG 15 H ARG 15 -1.244 9.451 -5.902 115 HA ARG 15 HA ARG 15 -0.846 11.472 -3.810 116 HB2 ARG 15 HB2 ARG 15 -3.137 10.414 -4.621 117 HB3 ARG 15 HB3 ARG 15 -2.708 9.065 -3.585 118 HG2 ARG 15 HG2 ARG 15 -2.734 11.871 -2.464 119 HG3 ARG 15 HG3 ARG 15 -4.255 11.023 -2.701 120 HD2 ARG 15 HD2 ARG 15 -3.610 9.294 -1.136 121 HD3 ARG 15 HD3 ARG 15 -1.972 9.938 -1.022 122 HE ARG 15 HE ARG 15 -2.736 11.675 0.328 123 HH11 ARG 15 HH11 ARG 15 -5.439 9.679 -0.666 124 HH12 ARG 15 HH12 ARG 15 -6.508 10.318 0.538 125 HH21 ARG 15 HH21 ARG 15 -4.096 12.428 1.974 126 HH22 ARG 15 HH22 ARG 15 -5.743 11.879 2.036 127 H LYS 16 H LYS 16 -0.394 10.628 -1.522 128 HA LYS 16 HA LYS 16 1.574 8.404 -1.632 129 HB2 LYS 16 HB2 LYS 16 1.655 10.981 -0.005 130 HB3 LYS 16 HB3 LYS 16 2.790 9.647 0.193 131 HG2 LYS 16 HG2 LYS 16 3.608 9.931 -2.089 132 HG3 LYS 16 HG3 LYS 16 2.395 11.177 -2.400 133 HD2 LYS 16 HD2 LYS 16 4.614 12.178 -1.983 134 HD3 LYS 16 HD3 LYS 16 3.452 12.657 -0.743 135 HE2 LYS 16 HE2 LYS 16 4.414 11.042 0.825 136 HE3 LYS 16 HE3 LYS 16 5.511 10.444 -0.423 137 HZ1 LYS 16 HZ1 LYS 16 5.509 13.226 0.625 138 HZ2 LYS 16 HZ2 LYS 16 6.604 12.566 -0.479 139 HZ3 LYS 16 HZ3 LYS 16 6.571 12.011 1.113 140 H ALA 17 H ALA 17 1.834 7.122 0.224 141 HA ALA 17 HA ALA 17 -0.162 7.286 2.388 142 HB1 ALA 17 HB1 ALA 17 0.340 4.739 0.785 143 HB2 ALA 17 HB2 ALA 17 -1.136 5.706 0.741 144 HB3 ALA 17 HB3 ALA 17 -0.677 4.870 2.227 145 H ARG 18 H ARG 18 0.475 5.925 4.223 146 HA ARG 18 HA ARG 18 3.291 5.043 4.290 147 HB2 ARG 18 HB2 ARG 18 3.347 7.182 5.428 148 HB3 ARG 18 HB3 ARG 18 1.890 6.811 6.351 149 HG2 ARG 18 HG2 ARG 18 3.124 5.020 7.558 150 HG3 ARG 18 HG3 ARG 18 4.583 5.416 6.648 151 HD2 ARG 18 HD2 ARG 18 3.150 7.412 8.422 152 HD3 ARG 18 HD3 ARG 18 4.432 6.350 9.003 153 HE ARG 18 HE ARG 18 4.824 8.335 6.837 154 HH11 ARG 18 HH11 ARG 18 5.939 6.777 9.796 155 HH12 ARG 18 HH12 ARG 18 7.438 7.655 9.834 156 HH21 ARG 18 HH21 ARG 18 6.796 9.467 6.891 157 HH22 ARG 18 HH22 ARG 18 7.923 9.180 8.183 158 H ALA 19 H ALA 19 3.311 2.979 4.825 159 HA ALA 19 HA ALA 19 1.190 1.464 5.864 160 HB1 ALA 19 HB1 ALA 19 3.061 0.466 4.652 161 HB2 ALA 19 HB2 ALA 19 2.943 -0.257 6.257 162 HB3 ALA 19 HB3 ALA 19 4.185 0.955 5.923 163 H VAL 20 H VAL 20 0.330 1.685 7.839 164 HA VAL 20 HA VAL 20 1.944 2.603 10.144 165 HB VAL 20 HB VAL 20 -0.309 2.897 11.286 166 HG11 VAL 20 HG11 VAL 20 -0.886 4.982 10.098 167 HG12 VAL 20 HG12 VAL 20 0.083 4.481 8.710 168 HG13 VAL 20 HG13 VAL 20 0.864 4.811 10.260 169 HG21 VAL 20 HG21 VAL 20 -2.360 2.932 9.890 170 HG22 VAL 20 HG22 VAL 20 -1.639 1.321 9.921 171 HG23 VAL 20 HG23 VAL 20 -1.432 2.349 8.502 172 H TYR 21 H TYR 21 0.318 -0.159 8.844 173 HA TYR 21 HA TYR 21 1.297 -1.791 11.118 174 HB2 TYR 21 HB2 TYR 21 -1.058 -2.495 9.288 175 HB3 TYR 21 HB3 TYR 21 -0.517 -3.387 10.705 176 HD1 TYR 21 HD2 TYR 21 -0.466 -1.847 12.966 177 HD2 TYR 21 HD1 TYR 21 -2.983 -1.186 9.572 178 HE1 TYR 21 HE2 TYR 21 -2.020 -0.543 14.360 179 HE2 TYR 21 HE1 TYR 21 -4.523 0.123 10.964 180 HH TYR 21 HH TYR 21 -5.136 0.370 13.326 181 HA PRO 22 HA PRO 22 3.710 -3.603 7.757 182 HB2 PRO 22 HB2 PRO 22 4.645 -5.861 8.939 183 HB3 PRO 22 HB3 PRO 22 5.171 -4.252 9.481 184 HG2 PRO 22 HG2 PRO 22 3.091 -6.054 10.695 185 HG3 PRO 22 HG3 PRO 22 4.385 -5.138 11.500 186 HD2 PRO 22 HD2 PRO 22 1.791 -4.245 11.364 187 HD3 PRO 22 HD3 PRO 22 3.189 -3.148 11.457 188 H CYS 23 H CYS 23 3.863 -5.733 6.476 189 HA CYS 23 HA CYS 23 1.598 -7.539 6.573 190 HB2 CYS 23 HB2 CYS 23 0.604 -5.618 5.361 191 HB3 CYS 23 HB3 CYS 23 1.917 -5.659 4.188 192 HG CYS 23 HG CYS 23 0.027 -8.446 4.622 193 H GLU 24 H GLU 24 2.054 -9.421 5.610 194 HA GLU 24 HA GLU 24 4.437 -9.645 3.862 195 HB2 GLU 24 HB2 GLU 24 4.469 -12.059 4.474 196 HB3 GLU 24 HB3 GLU 24 4.759 -11.013 5.849 197 HG2 GLU 24 HG2 GLU 24 2.077 -12.291 5.264 198 HG3 GLU 24 HG3 GLU 24 3.305 -13.055 6.263 199 H ALA 25 H ALA 25 4.025 -10.091 1.819 200 HA ALA 25 HA ALA 25 1.379 -10.026 0.770 201 HB1 ALA 25 HB1 ALA 25 4.047 -10.572 -0.596 202 HB2 ALA 25 HB2 ALA 25 3.300 -8.992 -0.356 203 HB3 ALA 25 HB3 ALA 25 2.532 -10.173 -1.418 204 H GLU 26 H GLU 26 0.010 -11.742 0.759 205 HA GLU 26 HA GLU 26 0.772 -14.472 1.099 206 HB2 GLU 26 HB2 GLU 26 -1.862 -13.348 0.013 207 HB3 GLU 26 HB3 GLU 26 -1.601 -15.013 0.533 208 HG2 GLU 26 HG2 GLU 26 -1.167 -14.209 2.846 209 HG3 GLU 26 HG3 GLU 26 -1.501 -12.556 2.319 210 H HIS 27 H HIS 27 -0.006 -12.489 -1.672 211 HA HIS 27 HA HIS 27 0.934 -14.593 -3.556 212 HB2 HIS 27 HB2 HIS 27 -1.161 -12.402 -3.998 213 HB3 HIS 27 HB3 HIS 27 -0.512 -13.423 -5.277 214 HD2 HIS 27 HD2 HIS 27 -2.521 -14.008 -1.907 215 HE1 HIS 27 HE1 HIS 27 -3.609 -16.923 -4.760 216 HE2 HIS 27 HE2 HIS 27 -3.817 -16.197 -2.344 217 H SER 28 H SER 28 2.064 -13.769 -5.424 218 HA SER 28 HA SER 28 4.121 -11.933 -4.834 219 HB2 SER 28 HB2 SER 28 4.739 -12.311 -7.271 220 HB3 SER 28 HB3 SER 28 4.541 -13.784 -6.323 221 HG SER 28 HG SER 28 2.705 -14.243 -7.355 222 H SER 29 H SER 29 0.990 -11.509 -6.281 223 HA SER 29 HA SER 29 1.476 -9.092 -7.724 224 HB2 SER 29 HB2 SER 29 -1.156 -10.208 -6.670 225 HB3 SER 29 HB3 SER 29 -0.959 -9.019 -7.962 226 HG SER 29 HG SER 29 0.513 -10.978 -8.747 227 H GLU 30 H GLU 30 0.939 -9.774 -4.381 228 HA GLU 30 HA GLU 30 0.019 -7.115 -3.608 229 HB2 GLU 30 HB2 GLU 30 0.929 -9.510 -1.957 230 HB3 GLU 30 HB3 GLU 30 0.223 -8.041 -1.288 231 HG2 GLU 30 HG2 GLU 30 -1.909 -8.513 -2.254 232 HG3 GLU 30 HG3 GLU 30 -1.240 -9.810 -3.256 233 H LEU 31 H LEU 31 1.268 -5.892 -1.891 234 HA LEU 31 HA LEU 31 4.209 -6.082 -2.240 235 HB2 LEU 31 HB2 LEU 31 2.556 -3.710 -1.259 236 HB3 LEU 31 HB3 LEU 31 4.308 -3.739 -1.415 237 HG LEU 31 HG LEU 31 2.341 -3.969 -3.703 238 HD11 LEU 31 HD11 LEU 31 4.134 -1.638 -2.963 239 HD12 LEU 31 HD12 LEU 31 2.386 -1.703 -2.746 240 HD13 LEU 31 HD13 LEU 31 3.067 -1.730 -4.368 241 HD21 LEU 31 HD21 LEU 31 4.350 -5.208 -4.230 242 HD22 LEU 31 HD22 LEU 31 5.361 -3.827 -3.796 243 HD23 LEU 31 HD23 LEU 31 4.283 -3.735 -5.193 244 H SER 32 H SER 32 5.402 -6.564 -0.555 245 HA SER 32 HA SER 32 4.224 -6.875 2.141 246 HB2 SER 32 HB2 SER 32 6.313 -8.159 2.659 247 HB3 SER 32 HB3 SER 32 5.422 -8.854 1.306 248 HG SER 32 HG SER 32 7.948 -8.060 1.360 249 H PHE 33 H PHE 33 5.183 -5.766 3.948 250 HA PHE 33 HA PHE 33 7.194 -3.767 3.592 251 HB2 PHE 33 HB2 PHE 33 5.619 -1.776 3.933 252 HB3 PHE 33 HB3 PHE 33 5.586 -2.523 2.346 253 HD1 PHE 33 HD1 PHE 33 3.703 -2.335 5.581 254 HD2 PHE 33 HD2 PHE 33 3.544 -3.316 1.420 255 HE1 PHE 33 HE1 PHE 33 1.251 -2.465 5.699 256 HE2 PHE 33 HE2 PHE 33 1.095 -3.444 1.552 257 HZ PHE 33 HZ PHE 33 -0.053 -3.012 3.692 258 H GLU 34 H GLU 34 7.061 -2.107 5.422 259 HA GLU 34 HA GLU 34 6.234 -3.311 7.995 260 HB2 GLU 34 HB2 GLU 34 8.312 -2.485 9.021 261 HB3 GLU 34 HB3 GLU 34 8.694 -3.578 7.694 262 HG2 GLU 34 HG2 GLU 34 9.205 -1.659 6.232 263 HG3 GLU 34 HG3 GLU 34 8.767 -0.544 7.524 264 H ILE 35 H ILE 35 6.476 -1.474 9.747 265 HA ILE 35 HA ILE 35 4.737 0.688 9.059 266 HB ILE 35 HB ILE 35 6.443 0.385 11.579 267 HG12 ILE 35 HG12 ILE 35 3.547 -0.474 11.129 268 HG13 ILE 35 HG13 ILE 35 4.918 -1.579 11.128 269 HG21 ILE 35 HG21 ILE 35 3.935 2.054 11.102 270 HG22 ILE 35 HG22 ILE 35 5.573 2.690 11.277 271 HG23 ILE 35 HG23 ILE 35 4.784 1.895 12.641 272 HD11 ILE 35 HD11 ILE 35 5.366 -1.015 13.470 273 HD12 ILE 35 HD12 ILE 35 3.749 -1.670 13.226 274 HD13 ILE 35 HD13 ILE 35 3.964 0.062 13.474 275 H GLY 36 H GLY 36 5.222 2.671 8.310 276 HA2 GLY 36 HA2 GLY 36 6.517 4.685 8.289 277 HA3 GLY 36 HA3 GLY 36 7.980 3.723 8.417 278 H ALA 37 H ALA 37 6.685 1.820 6.358 279 HA ALA 37 HA ALA 37 8.158 2.672 4.148 280 HB1 ALA 37 HB1 ALA 37 5.925 0.601 4.258 281 HB2 ALA 37 HB2 ALA 37 7.631 0.299 4.590 282 HB3 ALA 37 HB3 ALA 37 7.121 0.762 2.966 283 H ILE 38 H ILE 38 7.687 4.422 3.018 284 HA ILE 38 HA ILE 38 5.009 5.457 2.645 285 HB ILE 38 HB ILE 38 7.606 6.505 1.410 286 HG12 ILE 38 HG12 ILE 38 7.772 6.482 3.894 287 HG13 ILE 38 HG13 ILE 38 7.719 8.124 3.271 288 HG21 ILE 38 HG21 ILE 38 5.602 7.355 0.262 289 HG22 ILE 38 HG22 ILE 38 6.377 8.650 1.176 290 HG23 ILE 38 HG23 ILE 38 4.913 7.885 1.802 291 HD11 ILE 38 HD11 ILE 38 5.447 6.629 4.573 292 HD12 ILE 38 HD12 ILE 38 5.347 8.270 3.926 293 HD13 ILE 38 HD13 ILE 38 6.414 7.918 5.285 294 H PHE 39 H PHE 39 3.786 5.285 0.895 295 HA PHE 39 HA PHE 39 4.773 3.923 -1.534 296 HB2 PHE 39 HB2 PHE 39 1.882 4.270 -0.577 297 HB3 PHE 39 HB3 PHE 39 2.425 3.338 -1.971 298 HD1 PHE 39 HD2 PHE 39 2.289 3.448 1.708 299 HD2 PHE 39 HD1 PHE 39 3.408 1.119 -1.706 300 HE1 PHE 39 HE2 PHE 39 2.536 1.472 3.131 301 HE2 PHE 39 HE1 PHE 39 3.648 -0.855 -0.260 302 HZ PHE 39 HZ PHE 39 3.212 -0.666 2.153 303 H GLU 40 H GLU 40 4.479 4.895 -3.466 304 HA GLU 40 HA GLU 40 3.451 7.662 -3.626 305 HB2 GLU 40 HB2 GLU 40 5.326 6.153 -5.520 306 HB3 GLU 40 HB3 GLU 40 4.837 7.840 -5.672 307 HG2 GLU 40 HG2 GLU 40 6.020 8.408 -3.600 308 HG3 GLU 40 HG3 GLU 40 6.446 6.717 -3.354 309 H ASP 41 H ASP 41 2.085 8.166 -5.484 310 HA ASP 41 HA ASP 41 0.602 7.862 -7.215 311 HB2 ASP 41 HB2 ASP 41 2.253 5.332 -7.623 312 HB3 ASP 41 HB3 ASP 41 0.985 5.825 -8.737 313 H VAL 42 H VAL 42 -0.114 6.994 -4.607 314 HA VAL 42 HA VAL 42 -1.364 4.437 -4.589 315 HB VAL 42 HB VAL 42 -1.864 6.704 -2.603 316 HG11 VAL 42 HG11 VAL 42 -3.479 4.842 -2.420 317 HG12 VAL 42 HG12 VAL 42 -2.394 4.847 -1.028 318 HG13 VAL 42 HG13 VAL 42 -2.152 3.678 -2.328 319 HG21 VAL 42 HG21 VAL 42 0.296 4.565 -2.528 320 HG22 VAL 42 HG22 VAL 42 -0.019 5.766 -1.271 321 HG23 VAL 42 HG23 VAL 42 0.559 6.280 -2.857 322 H GLN 43 H GLN 43 -3.215 3.912 -5.341 323 HA GLN 43 HA GLN 43 -5.454 5.784 -5.816 324 HB2 GLN 43 HB2 GLN 43 -4.418 3.705 -7.814 325 HB3 GLN 43 HB3 GLN 43 -5.775 4.802 -8.064 326 HG2 GLN 43 HG2 GLN 43 -4.320 6.698 -8.249 327 HG3 GLN 43 HG3 GLN 43 -2.940 5.778 -7.658 328 HE21 GLN 43 HE21 GLN 43 -1.928 4.278 -9.032 329 HE22 GLN 43 HE22 GLN 43 -2.134 4.341 -10.750 330 H THR 44 H THR 44 -7.467 4.292 -6.389 331 HA THR 44 HA THR 44 -7.604 1.981 -4.644 332 HB THR 44 HB THR 44 -9.583 2.722 -6.838 333 HG1 THR 44 HG1 THR 44 -9.333 4.507 -5.461 334 HG21 THR 44 HG21 THR 44 -9.891 0.460 -5.855 335 HG22 THR 44 HG22 THR 44 -11.228 1.534 -5.442 336 HG23 THR 44 HG23 THR 44 -9.982 1.185 -4.244 337 H SER 45 H SER 45 -7.464 -0.197 -5.320 338 HA SER 45 HA SER 45 -5.884 -0.642 -7.727 339 HB2 SER 45 HB2 SER 45 -5.589 -2.912 -6.874 340 HB3 SER 45 HB3 SER 45 -5.372 -1.788 -5.534 341 HG SER 45 HG SER 45 -7.684 -2.231 -5.124 342 H ARG 46 H ARG 46 -6.527 -2.948 -8.745 343 HA ARG 46 HA ARG 46 -8.942 -2.894 -10.162 344 HB2 ARG 46 HB2 ARG 46 -8.445 -5.382 -10.510 345 HB3 ARG 46 HB3 ARG 46 -7.178 -4.258 -10.978 346 HG2 ARG 46 HG2 ARG 46 -6.050 -4.721 -8.762 347 HG3 ARG 46 HG3 ARG 46 -7.250 -5.990 -8.486 348 HD2 ARG 46 HD2 ARG 46 -6.493 -7.192 -10.469 349 HD3 ARG 46 HD3 ARG 46 -5.382 -5.880 -10.880 350 HE ARG 46 HE ARG 46 -4.247 -6.435 -8.681 351 HH11 ARG 46 HH11 ARG 46 -5.936 -8.896 -10.544 352 HH12 ARG 46 HH12 ARG 46 -4.965 -10.199 -9.939 353 HH21 ARG 46 HH21 ARG 46 -2.941 -8.127 -7.943 354 HH22 ARG 46 HH22 ARG 46 -3.259 -9.759 -8.455 355 H GLU 47 H GLU 47 -8.299 -3.920 -6.908 356 HA GLU 47 HA GLU 47 -11.062 -4.861 -6.467 357 HB2 GLU 47 HB2 GLU 47 -8.497 -5.029 -4.816 358 HB3 GLU 47 HB3 GLU 47 -10.074 -5.482 -4.170 359 HG2 GLU 47 HG2 GLU 47 -10.306 -7.309 -5.647 360 HG3 GLU 47 HG3 GLU 47 -9.021 -6.739 -6.710 361 HA PRO 48 HA PRO 48 -11.918 -0.775 -4.684 362 HB2 PRO 48 HB2 PRO 48 -14.338 -1.258 -3.490 363 HB3 PRO 48 HB3 PRO 48 -14.158 -1.182 -5.258 364 HG2 PRO 48 HG2 PRO 48 -14.248 -3.614 -3.487 365 HG3 PRO 48 HG3 PRO 48 -15.103 -3.311 -5.016 366 HD2 PRO 48 HD2 PRO 48 -12.820 -4.799 -4.903 367 HD3 PRO 48 HD3 PRO 48 -13.226 -3.799 -6.317 368 H GLY 49 H GLY 49 -11.380 -3.565 -2.884 369 HA2 GLY 49 HA2 GLY 49 -11.406 -2.281 -0.232 370 HA3 GLY 49 HA3 GLY 49 -11.190 -3.994 -0.564 371 H TRP 50 H TRP 50 -9.177 -3.225 -2.706 372 HA TRP 50 HA TRP 50 -6.866 -2.763 -0.907 373 HB2 TRP 50 HB2 TRP 50 -6.992 -4.151 -3.636 374 HB3 TRP 50 HB3 TRP 50 -5.511 -3.856 -2.730 375 HD1 TRP 50 HD1 TRP 50 -8.885 -5.724 -2.133 376 HE1 TRP 50 HE1 TRP 50 -8.402 -7.827 -0.748 377 HE3 TRP 50 HE3 TRP 50 -3.839 -5.170 -1.524 378 HZ2 TRP 50 HZ2 TRP 50 -6.198 -9.076 0.483 379 HZ3 TRP 50 HZ3 TRP 50 -2.615 -6.858 -0.213 380 HH2 TRP 50 HH2 TRP 50 -3.770 -8.772 0.767 381 H LEU 51 H LEU 51 -5.127 -1.474 -1.785 382 HA LEU 51 HA LEU 51 -5.915 0.573 -3.780 383 HB2 LEU 51 HB2 LEU 51 -4.031 0.863 -1.386 384 HB3 LEU 51 HB3 LEU 51 -4.435 2.135 -2.529 385 HG LEU 51 HG LEU 51 -6.397 0.829 -0.593 386 HD11 LEU 51 HD11 LEU 51 -5.118 3.575 -0.463 387 HD12 LEU 51 HD12 LEU 51 -4.774 2.202 0.596 388 HD13 LEU 51 HD13 LEU 51 -6.368 2.951 0.623 389 HD21 LEU 51 HD21 LEU 51 -6.827 3.185 -2.463 390 HD22 LEU 51 HD22 LEU 51 -7.968 2.606 -1.245 391 HD23 LEU 51 HD23 LEU 51 -7.550 1.579 -2.614 392 H GLU 52 H GLU 52 -4.252 1.072 -5.366 393 HA GLU 52 HA GLU 52 -1.858 -0.683 -5.253 394 HB2 GLU 52 HB2 GLU 52 -3.646 -0.044 -7.588 395 HB3 GLU 52 HB3 GLU 52 -1.916 -0.108 -7.923 396 HG2 GLU 52 HG2 GLU 52 -1.821 -2.393 -6.958 397 HG3 GLU 52 HG3 GLU 52 -3.556 -2.330 -6.666 398 H GLY 53 H GLY 53 0.068 0.158 -5.577 399 HA2 GLY 53 HA2 GLY 53 0.657 2.818 -6.424 400 HA3 GLY 53 HA3 GLY 53 0.641 2.696 -4.663 401 H THR 54 H THR 54 2.946 3.377 -5.605 402 HA THR 54 HA THR 54 4.641 1.111 -6.288 403 HB THR 54 HB THR 54 5.104 4.128 -6.335 404 HG1 THR 54 HG1 THR 54 4.556 2.142 -8.289 405 HG21 THR 54 HG21 THR 54 6.977 1.905 -7.232 406 HG22 THR 54 HG22 THR 54 7.251 3.017 -5.885 407 HG23 THR 54 HG23 THR 54 7.210 3.624 -7.542 408 H LEU 55 H LEU 55 5.929 0.250 -4.801 409 HA LEU 55 HA LEU 55 6.726 1.727 -2.359 410 HB2 LEU 55 HB2 LEU 55 5.292 -0.308 -1.951 411 HB3 LEU 55 HB3 LEU 55 6.476 -1.293 -2.793 412 HG LEU 55 HG LEU 55 8.158 -0.813 -1.012 413 HD11 LEU 55 HD11 LEU 55 5.933 0.726 0.354 414 HD12 LEU 55 HD12 LEU 55 7.412 1.410 -0.323 415 HD13 LEU 55 HD13 LEU 55 7.501 0.328 1.066 416 HD21 LEU 55 HD21 LEU 55 6.717 -2.792 -0.822 417 HD22 LEU 55 HD22 LEU 55 5.524 -1.850 0.074 418 HD23 LEU 55 HD23 LEU 55 7.121 -2.144 0.769 419 H ASN 56 H ASN 56 8.733 2.438 -2.715 420 HA ASN 56 HA ASN 56 10.883 2.673 -3.295 421 HB2 ASN 56 HB2 ASN 56 10.952 -0.308 -3.841 422 HB3 ASN 56 HB3 ASN 56 12.356 0.740 -3.686 423 HD21 ASN 56 HD21 ASN 56 11.365 2.249 -1.387 424 HD22 ASN 56 HD22 ASN 56 11.405 1.164 -0.045 425 H GLY 57 H GLY 57 9.944 0.132 -5.603 426 HA2 GLY 57 HA2 GLY 57 9.497 2.029 -7.775 427 HA3 GLY 57 HA3 GLY 57 10.902 0.981 -7.968 428 H LYS 58 H LYS 58 8.082 -0.184 -6.260 429 HA LYS 58 HA LYS 58 7.437 -2.021 -8.497 430 HB2 LYS 58 HB2 LYS 58 8.945 -3.065 -6.787 431 HB3 LYS 58 HB3 LYS 58 7.734 -2.755 -5.559 432 HG2 LYS 58 HG2 LYS 58 6.172 -4.291 -6.632 433 HG3 LYS 58 HG3 LYS 58 7.286 -4.526 -7.982 434 HD2 LYS 58 HD2 LYS 58 7.361 -6.434 -6.412 435 HD3 LYS 58 HD3 LYS 58 8.914 -5.600 -6.487 436 HE2 LYS 58 HE2 LYS 58 8.416 -4.470 -4.355 437 HE3 LYS 58 HE3 LYS 58 6.833 -5.244 -4.305 438 HZ1 LYS 58 HZ1 LYS 58 9.442 -6.654 -4.212 439 HZ2 LYS 58 HZ2 LYS 58 7.927 -7.395 -4.195 440 HZ3 LYS 58 HZ3 LYS 58 8.398 -6.409 -2.907 441 H ARG 59 H ARG 59 5.296 -2.022 -8.935 442 HA ARG 59 HA ARG 59 3.373 -0.888 -6.989 443 HB2 ARG 59 HB2 ARG 59 3.375 0.121 -9.287 444 HB3 ARG 59 HB3 ARG 59 2.963 -1.453 -9.963 445 HG2 ARG 59 HG2 ARG 59 0.846 -1.403 -8.560 446 HG3 ARG 59 HG3 ARG 59 1.246 0.263 -8.132 447 HD2 ARG 59 HD2 ARG 59 -0.373 0.226 -9.958 448 HD3 ARG 59 HD3 ARG 59 1.168 0.872 -10.541 449 HE ARG 59 HE ARG 59 1.090 -1.913 -11.000 450 HH11 ARG 59 HH11 ARG 59 -0.448 1.010 -12.222 451 HH12 ARG 59 HH12 ARG 59 -0.741 0.342 -13.797 452 HH21 ARG 59 HH21 ARG 59 0.736 -2.773 -13.066 453 HH22 ARG 59 HH22 ARG 59 -0.064 -1.819 -14.274 454 H GLY 60 H GLY 60 1.656 -2.048 -6.258 455 HA2 GLY 60 HA2 GLY 60 0.636 -4.445 -7.392 456 HA3 GLY 60 HA3 GLY 60 1.693 -4.830 -6.030 457 H LEU 61 H LEU 61 -0.516 -5.716 -5.404 458 HA LEU 61 HA LEU 61 -2.591 -3.980 -4.532 459 HB2 LEU 61 HB2 LEU 61 -1.951 -6.860 -3.762 460 HB3 LEU 61 HB3 LEU 61 -3.438 -6.024 -3.343 461 HG LEU 61 HG LEU 61 -2.560 -6.578 -6.173 462 HD11 LEU 61 HD11 LEU 61 -4.235 -8.368 -6.216 463 HD12 LEU 61 HD12 LEU 61 -4.545 -8.118 -4.495 464 HD13 LEU 61 HD13 LEU 61 -2.962 -8.685 -5.036 465 HD21 LEU 61 HD21 LEU 61 -5.229 -5.616 -5.110 466 HD22 LEU 61 HD22 LEU 61 -4.870 -6.008 -6.796 467 HD23 LEU 61 HD23 LEU 61 -4.058 -4.651 -6.018 468 H ILE 62 H ILE 62 -2.588 -2.796 -2.774 469 HA ILE 62 HA ILE 62 -0.825 -3.366 -0.479 470 HB ILE 62 HB ILE 62 -2.081 -0.671 -1.205 471 HG12 ILE 62 HG12 ILE 62 0.791 -1.512 -1.807 472 HG13 ILE 62 HG13 ILE 62 -0.491 -1.426 -3.009 473 HG21 ILE 62 HG21 ILE 62 -0.425 0.278 0.357 474 HG22 ILE 62 HG22 ILE 62 0.195 -1.337 0.696 475 HG23 ILE 62 HG23 ILE 62 -1.452 -0.912 1.166 476 HD11 ILE 62 HD11 ILE 62 0.555 0.907 -1.411 477 HD12 ILE 62 HD12 ILE 62 -0.698 0.964 -2.658 478 HD13 ILE 62 HD13 ILE 62 0.953 0.518 -3.085 479 HA PRO 63 HA PRO 63 -4.816 -4.015 1.629 480 HB2 PRO 63 HB2 PRO 63 -3.204 -3.982 4.134 481 HB3 PRO 63 HB3 PRO 63 -4.209 -5.283 3.456 482 HG2 PRO 63 HG2 PRO 63 -1.513 -5.430 3.472 483 HG3 PRO 63 HG3 PRO 63 -2.500 -6.154 2.182 484 HD2 PRO 63 HD2 PRO 63 -0.936 -3.594 2.142 485 HD3 PRO 63 HD3 PRO 63 -1.145 -4.815 0.869 486 H GLN 64 H GLN 64 -6.087 -2.315 1.781 487 HA GLN 64 HA GLN 64 -5.423 0.349 2.064 488 HB2 GLN 64 HB2 GLN 64 -7.517 -0.451 1.060 489 HB3 GLN 64 HB3 GLN 64 -8.081 -1.042 2.618 490 HG2 GLN 64 HG2 GLN 64 -8.199 1.290 3.445 491 HG3 GLN 64 HG3 GLN 64 -7.617 1.867 1.883 492 HE21 GLN 64 HE21 GLN 64 -9.479 3.082 1.489 493 HE22 GLN 64 HE22 GLN 64 -11.006 2.361 1.122 494 H ASN 65 H ASN 65 -6.636 -1.879 4.546 495 HA ASN 65 HA ASN 65 -6.904 -0.022 6.674 496 HB2 ASN 65 HB2 ASN 65 -8.116 -2.150 6.649 497 HB3 ASN 65 HB3 ASN 65 -6.610 -3.056 6.698 498 HD21 ASN 65 HD21 ASN 65 -8.753 -0.949 8.569 499 HD22 ASN 65 HD22 ASN 65 -8.156 -1.428 10.119 500 H TYR 66 H TYR 66 -4.167 -1.953 5.566 501 HA TYR 66 HA TYR 66 -2.627 -1.616 8.007 502 HB2 TYR 66 HB2 TYR 66 -1.913 -2.809 5.303 503 HB3 TYR 66 HB3 TYR 66 -0.799 -2.746 6.664 504 HD1 TYR 66 HD2 TYR 66 -3.982 -3.356 8.110 505 HD2 TYR 66 HD1 TYR 66 -0.944 -5.306 5.817 506 HE1 TYR 66 HE2 TYR 66 -4.787 -5.549 8.887 507 HE2 TYR 66 HE1 TYR 66 -1.745 -7.484 6.606 508 HH TYR 66 HH TYR 66 -3.001 -8.455 8.401 509 H VAL 67 H VAL 67 -3.229 0.349 5.333 510 HA VAL 67 HA VAL 67 -0.827 1.985 5.931 511 HB VAL 67 HB VAL 67 -0.859 2.862 3.648 512 HG11 VAL 67 HG11 VAL 67 -0.086 0.860 2.450 513 HG12 VAL 67 HG12 VAL 67 -0.828 -0.179 3.670 514 HG13 VAL 67 HG13 VAL 67 0.512 0.884 4.107 515 HG21 VAL 67 HG21 VAL 67 -2.299 1.899 1.871 516 HG22 VAL 67 HG22 VAL 67 -3.253 2.698 3.120 517 HG23 VAL 67 HG23 VAL 67 -3.155 0.938 3.084 518 H LYS 68 H LYS 68 -1.114 4.270 5.610 519 HA LYS 68 HA LYS 68 -3.849 5.304 6.016 520 HB2 LYS 68 HB2 LYS 68 -2.689 5.254 8.198 521 HB3 LYS 68 HB3 LYS 68 -1.314 6.118 7.518 522 HG2 LYS 68 HG2 LYS 68 -2.738 8.104 7.141 523 HG3 LYS 68 HG3 LYS 68 -4.125 7.234 7.811 524 HD2 LYS 68 HD2 LYS 68 -3.019 7.080 9.992 525 HD3 LYS 68 HD3 LYS 68 -1.560 7.826 9.339 526 HE2 LYS 68 HE2 LYS 68 -2.788 9.917 8.952 527 HE3 LYS 68 HE3 LYS 68 -4.269 9.172 9.563 528 HZ1 LYS 68 HZ1 LYS 68 -3.178 10.521 11.244 529 HZ2 LYS 68 HZ2 LYS 68 -1.777 9.591 11.127 530 HZ3 LYS 68 HZ3 LYS 68 -3.201 8.900 11.714 531 H LEU 69 H LEU 69 -4.301 6.664 4.422 532 HA LEU 69 HA LEU 69 -2.446 7.478 2.451 533 HB2 LEU 69 HB2 LEU 69 -5.267 8.495 3.006 534 HB3 LEU 69 HB3 LEU 69 -4.357 8.779 1.530 535 HG LEU 69 HG LEU 69 -5.397 6.093 2.510 536 HD11 LEU 69 HD11 LEU 69 -7.154 7.526 1.593 537 HD12 LEU 69 HD12 LEU 69 -6.845 6.153 0.534 538 HD13 LEU 69 HD13 LEU 69 -6.225 7.752 0.107 539 HD21 LEU 69 HD21 LEU 69 -4.573 5.176 0.368 540 HD22 LEU 69 HD22 LEU 69 -3.270 5.728 1.415 541 HD23 LEU 69 HD23 LEU 69 -3.765 6.708 0.031 542 H LEU 70 H LEU 70 -1.061 9.115 2.515 543 HA LEU 70 HA LEU 70 -1.049 11.101 4.606 544 HB2 LEU 70 HB2 LEU 70 0.759 10.816 2.167 545 HB3 LEU 70 HB3 LEU 70 1.057 11.866 3.544 546 HG LEU 70 HG LEU 70 0.981 8.824 3.656 547 HD11 LEU 70 HD11 LEU 70 3.409 8.919 3.959 548 HD12 LEU 70 HD12 LEU 70 3.386 10.670 3.720 549 HD13 LEU 70 HD13 LEU 70 2.925 9.589 2.401 550 HD21 LEU 70 HD21 LEU 70 1.884 9.074 5.938 551 HD22 LEU 70 HD22 LEU 70 0.283 9.787 5.780 552 HD23 LEU 70 HD23 LEU 70 1.709 10.829 5.819 Start of MODEL 18 1 H1 MET 1 H1 MET 1 1.078 21.884 -29.626 2 H2 MET 1 H2 MET 1 -0.021 21.128 -30.659 3 H3 MET 1 H3 MET 1 0.722 20.249 -29.419 4 HA MET 1 HA MET 1 -1.192 22.482 -29.084 5 HB2 MET 1 HB2 MET 1 -1.439 19.483 -28.599 6 HB3 MET 1 HB3 MET 1 -2.605 20.652 -27.993 7 HG2 MET 1 HG2 MET 1 -3.137 21.309 -30.307 8 HG3 MET 1 HG3 MET 1 -1.976 20.123 -30.904 9 HE1 MET 1 HE1 MET 1 -5.828 18.952 -28.606 10 HE2 MET 1 HE2 MET 1 -5.361 20.624 -28.919 11 HE3 MET 1 HE3 MET 1 -4.426 19.639 -27.792 12 H GLY 2 H GLY 2 -1.715 23.002 -26.900 13 HA2 GLY 2 HA2 GLY 2 -0.715 21.820 -24.579 14 HA3 GLY 2 HA3 GLY 2 0.453 23.048 -25.058 15 H HIS 3 H HIS 3 -3.097 22.997 -25.283 16 HA HIS 3 HA HIS 3 -3.413 25.702 -24.387 17 HB2 HIS 3 HB2 HIS 3 -4.949 24.626 -26.028 18 HB3 HIS 3 HB3 HIS 3 -5.509 23.510 -24.791 19 HD1 HIS 3 HD1 HIS 3 -5.771 27.102 -25.890 20 HD2 HIS 3 HD2 HIS 3 -7.490 24.569 -23.077 21 HE1 HIS 3 HE1 HIS 3 -7.778 28.328 -25.004 22 HE2 HIS 3 HE2 HIS 3 -8.695 26.842 -23.198 23 H HIS 4 H HIS 4 -3.610 22.559 -22.870 24 HA HIS 4 HA HIS 4 -4.876 23.361 -20.418 25 HB2 HIS 4 HB2 HIS 4 -3.217 20.875 -21.053 26 HB3 HIS 4 HB3 HIS 4 -4.203 21.097 -19.609 27 HD1 HIS 4 HD1 HIS 4 -4.484 18.955 -22.104 28 HD2 HIS 4 HD2 HIS 4 -6.945 22.159 -21.148 29 HE1 HIS 4 HE1 HIS 4 -6.717 18.422 -23.126 30 HE2 HIS 4 HE2 HIS 4 -8.134 20.442 -22.643 31 H HIS 5 H HIS 5 -3.842 24.911 -19.251 32 HA HIS 5 HA HIS 5 -1.028 25.291 -19.041 33 HB2 HIS 5 HB2 HIS 5 -3.229 26.251 -17.147 34 HB3 HIS 5 HB3 HIS 5 -1.573 26.841 -17.152 35 HD1 HIS 5 HD1 HIS 5 -1.057 28.754 -18.681 36 HD2 HIS 5 HD2 HIS 5 -4.743 27.033 -19.517 37 HE1 HIS 5 HE1 HIS 5 -2.184 30.321 -20.283 38 HE2 HIS 5 HE2 HIS 5 -4.363 29.197 -20.854 39 H HIS 6 H HIS 6 -3.365 24.172 -16.613 40 HA HIS 6 HA HIS 6 -1.328 22.587 -15.204 41 HB2 HIS 6 HB2 HIS 6 -4.240 23.214 -14.522 42 HB3 HIS 6 HB3 HIS 6 -3.166 22.241 -13.523 43 HD1 HIS 6 HD1 HIS 6 -1.710 23.474 -11.881 44 HD2 HIS 6 HD2 HIS 6 -3.471 26.033 -14.632 45 HE1 HIS 6 HE1 HIS 6 -1.253 25.791 -11.040 46 HE2 HIS 6 HE2 HIS 6 -2.384 27.317 -12.686 47 H HIS 7 H HIS 7 -1.228 20.398 -15.482 48 HA HIS 7 HA HIS 7 -3.072 19.163 -17.447 49 HB2 HIS 7 HB2 HIS 7 -0.327 18.226 -16.496 50 HB3 HIS 7 HB3 HIS 7 -1.280 17.486 -17.778 51 HD1 HIS 7 HD1 HIS 7 1.398 19.812 -17.298 52 HD2 HIS 7 HD2 HIS 7 -1.733 19.463 -20.006 53 HE1 HIS 7 HE1 HIS 7 2.037 21.257 -19.254 54 HE2 HIS 7 HE2 HIS 7 0.060 21.132 -20.810 55 H HIS 8 H HIS 8 -4.159 19.478 -14.949 56 HA HIS 8 HA HIS 8 -5.439 18.454 -13.421 57 HB2 HIS 8 HB2 HIS 8 -4.901 16.032 -15.169 58 HB3 HIS 8 HB3 HIS 8 -5.956 15.952 -13.766 59 HD1 HIS 8 HD1 HIS 8 -8.327 16.196 -14.339 60 HD2 HIS 8 HD2 HIS 8 -5.910 18.248 -17.025 61 HE1 HIS 8 HE1 HIS 8 -9.892 17.164 -16.045 62 HE2 HIS 8 HE2 HIS 8 -8.417 18.526 -17.553 63 H SER 9 H SER 9 -4.086 18.881 -11.644 64 HA SER 9 HA SER 9 -2.382 16.736 -10.596 65 HB2 SER 9 HB2 SER 9 -2.035 18.297 -8.667 66 HB3 SER 9 HB3 SER 9 -1.650 19.055 -10.211 67 HG SER 9 HG SER 9 -4.273 19.350 -9.298 68 H HIS 10 H HIS 10 -2.933 15.479 -8.781 69 HA HIS 10 HA HIS 10 -4.234 14.141 -7.526 70 HB2 HIS 10 HB2 HIS 10 -5.930 16.653 -7.173 71 HB3 HIS 10 HB3 HIS 10 -6.179 15.169 -6.258 72 HD1 HIS 10 HD1 HIS 10 -4.830 14.924 -4.147 73 HD2 HIS 10 HD2 HIS 10 -3.290 17.855 -6.657 74 HE1 HIS 10 HE1 HIS 10 -3.005 16.044 -2.835 75 HE2 HIS 10 HE2 HIS 10 -2.006 17.710 -4.432 76 H MET 11 H MET 11 -6.817 13.478 -7.252 77 HA MET 11 HA MET 11 -8.365 12.137 -8.206 78 HB2 MET 11 HB2 MET 11 -9.390 14.251 -8.865 79 HB3 MET 11 HB3 MET 11 -8.358 14.373 -10.278 80 HG2 MET 11 HG2 MET 11 -9.500 12.402 -11.252 81 HG3 MET 11 HG3 MET 11 -10.552 12.325 -9.841 82 HE1 MET 11 HE1 MET 11 -11.474 12.558 -12.996 83 HE2 MET 11 HE2 MET 11 -12.820 13.690 -12.845 84 HE3 MET 11 HE3 MET 11 -12.636 12.388 -11.673 85 H ILE 12 H ILE 12 -6.840 10.465 -8.464 86 HA ILE 12 HA ILE 12 -5.481 8.958 -9.375 87 HB ILE 12 HB ILE 12 -7.088 9.469 -11.932 88 HG12 ILE 12 HG12 ILE 12 -8.275 7.273 -11.137 89 HG13 ILE 12 HG13 ILE 12 -7.562 7.585 -9.571 90 HG21 ILE 12 HG21 ILE 12 -5.013 8.263 -12.456 91 HG22 ILE 12 HG22 ILE 12 -6.397 7.185 -12.618 92 HG23 ILE 12 HG23 ILE 12 -5.355 7.071 -11.198 93 HD11 ILE 12 HD11 ILE 12 -9.892 8.292 -9.688 94 HD12 ILE 12 HD12 ILE 12 -9.504 9.382 -11.021 95 HD13 ILE 12 HD13 ILE 12 -8.826 9.671 -9.417 96 H ARG 13 H ARG 13 -3.788 10.448 -8.944 97 HA ARG 13 HA ARG 13 -1.819 10.878 -10.881 98 HB2 ARG 13 HB2 ARG 13 -3.156 12.674 -11.822 99 HB3 ARG 13 HB3 ARG 13 -3.510 13.348 -10.241 100 HG2 ARG 13 HG2 ARG 13 -1.924 14.751 -11.437 101 HG3 ARG 13 HG3 ARG 13 -1.154 14.053 -10.011 102 HD2 ARG 13 HD2 ARG 13 0.353 14.038 -11.941 103 HD3 ARG 13 HD3 ARG 13 -0.024 12.388 -11.435 104 HE ARG 13 HE ARG 13 -1.826 13.194 -13.443 105 HH11 ARG 13 HH11 ARG 13 1.571 12.313 -13.144 106 HH12 ARG 13 HH12 ARG 13 1.686 11.769 -14.784 107 HH21 ARG 13 HH21 ARG 13 -1.637 12.500 -15.583 108 HH22 ARG 13 HH22 ARG 13 -0.125 11.869 -16.162 109 H SER 14 H SER 14 -0.467 10.080 -9.271 110 HA SER 14 HA SER 14 1.072 10.116 -7.613 111 HB2 SER 14 HB2 SER 14 0.866 13.140 -7.937 112 HB3 SER 14 HB3 SER 14 2.234 12.255 -7.255 113 HG SER 14 HG SER 14 1.261 11.826 -9.876 114 H ARG 15 H ARG 15 -0.355 9.226 -5.965 115 HA ARG 15 HA ARG 15 -0.937 11.141 -3.762 116 HB2 ARG 15 HB2 ARG 15 -1.932 8.279 -4.051 117 HB3 ARG 15 HB3 ARG 15 -2.336 9.402 -2.752 118 HG2 ARG 15 HG2 ARG 15 -3.329 10.906 -4.611 119 HG3 ARG 15 HG3 ARG 15 -3.208 9.476 -5.644 120 HD2 ARG 15 HD2 ARG 15 -4.552 8.214 -3.928 121 HD3 ARG 15 HD3 ARG 15 -4.771 9.733 -3.064 122 HE ARG 15 HE ARG 15 -6.320 10.399 -4.626 123 HH11 ARG 15 HH11 ARG 15 -4.715 7.501 -5.810 124 HH12 ARG 15 HH12 ARG 15 -5.837 7.259 -7.107 125 HH21 ARG 15 HH21 ARG 15 -7.801 10.038 -6.318 126 HH22 ARG 15 HH22 ARG 15 -7.586 8.691 -7.389 127 H LYS 16 H LYS 16 -0.308 10.482 -1.581 128 HA LYS 16 HA LYS 16 1.912 8.514 -1.476 129 HB2 LYS 16 HB2 LYS 16 1.453 11.009 0.218 130 HB3 LYS 16 HB3 LYS 16 2.700 9.805 0.547 131 HG2 LYS 16 HG2 LYS 16 3.810 10.316 -1.579 132 HG3 LYS 16 HG3 LYS 16 2.516 11.437 -2.010 133 HD2 LYS 16 HD2 LYS 16 4.456 12.678 -1.219 134 HD3 LYS 16 HD3 LYS 16 3.113 12.872 -0.091 135 HE2 LYS 16 HE2 LYS 16 5.195 12.569 1.123 136 HE3 LYS 16 HE3 LYS 16 4.150 11.173 1.393 137 HZ1 LYS 16 HZ1 LYS 16 5.450 9.997 -0.343 138 HZ2 LYS 16 HZ2 LYS 16 6.376 10.435 0.998 139 HZ3 LYS 16 HZ3 LYS 16 6.495 11.326 -0.431 140 H ALA 17 H ALA 17 2.073 7.284 0.475 141 HA ALA 17 HA ALA 17 -0.156 7.250 2.372 142 HB1 ALA 17 HB1 ALA 17 -0.527 4.810 2.154 143 HB2 ALA 17 HB2 ALA 17 0.608 4.744 0.802 144 HB3 ALA 17 HB3 ALA 17 -0.903 5.641 0.641 145 H ARG 18 H ARG 18 0.386 6.039 4.300 146 HA ARG 18 HA ARG 18 3.243 5.361 4.671 147 HB2 ARG 18 HB2 ARG 18 2.716 7.585 5.720 148 HB3 ARG 18 HB3 ARG 18 1.445 6.828 6.675 149 HG2 ARG 18 HG2 ARG 18 3.111 5.457 7.853 150 HG3 ARG 18 HG3 ARG 18 4.403 6.135 6.856 151 HD2 ARG 18 HD2 ARG 18 3.870 8.399 7.793 152 HD3 ARG 18 HD3 ARG 18 2.679 7.642 8.856 153 HE ARG 18 HE ARG 18 4.456 6.480 9.966 154 HH11 ARG 18 HH11 ARG 18 5.565 9.059 7.857 155 HH12 ARG 18 HH12 ARG 18 7.101 9.204 8.641 156 HH21 ARG 18 HH21 ARG 18 6.518 6.652 10.954 157 HH22 ARG 18 HH22 ARG 18 7.636 7.850 10.383 158 H ALA 19 H ALA 19 3.375 3.272 5.218 159 HA ALA 19 HA ALA 19 1.142 1.653 5.885 160 HB1 ALA 19 HB1 ALA 19 2.831 -0.120 6.302 161 HB2 ALA 19 HB2 ALA 19 4.118 1.087 6.205 162 HB3 ALA 19 HB3 ALA 19 3.139 0.727 4.783 163 H VAL 20 H VAL 20 0.102 1.845 7.752 164 HA VAL 20 HA VAL 20 1.456 2.672 10.220 165 HB VAL 20 HB VAL 20 -0.909 2.665 11.186 166 HG11 VAL 20 HG11 VAL 20 0.188 4.736 10.455 167 HG12 VAL 20 HG12 VAL 20 -1.540 4.804 10.116 168 HG13 VAL 20 HG13 VAL 20 -0.397 4.496 8.804 169 HG21 VAL 20 HG21 VAL 20 -2.823 2.704 9.608 170 HG22 VAL 20 HG22 VAL 20 -2.008 1.136 9.597 171 HG23 VAL 20 HG23 VAL 20 -1.739 2.279 8.277 172 H TYR 21 H TYR 21 -0.130 -0.086 8.761 173 HA TYR 21 HA TYR 21 0.830 -1.854 10.945 174 HB2 TYR 21 HB2 TYR 21 -1.389 -2.429 8.919 175 HB3 TYR 21 HB3 TYR 21 -0.899 -3.470 10.246 176 HD1 TYR 21 HD2 TYR 21 -0.782 -1.642 12.553 177 HD2 TYR 21 HD1 TYR 21 -3.612 -1.811 9.362 178 HE1 TYR 21 HE2 TYR 21 -2.477 -0.606 13.997 179 HE2 TYR 21 HE1 TYR 21 -5.308 -0.779 10.802 180 HH TYR 21 HH TYR 21 -4.550 0.701 13.777 181 HA PRO 22 HA PRO 22 3.446 -3.617 7.648 182 HB2 PRO 22 HB2 PRO 22 4.376 -5.838 8.899 183 HB3 PRO 22 HB3 PRO 22 4.853 -4.214 9.442 184 HG2 PRO 22 HG2 PRO 22 2.766 -6.044 10.592 185 HG3 PRO 22 HG3 PRO 22 4.003 -5.084 11.438 186 HD2 PRO 22 HD2 PRO 22 1.381 -4.269 11.156 187 HD3 PRO 22 HD3 PRO 22 2.739 -3.140 11.346 188 H CYS 23 H CYS 23 3.456 -5.355 6.144 189 HA CYS 23 HA CYS 23 1.438 -7.475 6.258 190 HB2 CYS 23 HB2 CYS 23 0.264 -5.603 5.146 191 HB3 CYS 23 HB3 CYS 23 1.583 -5.445 3.992 192 HG CYS 23 HG CYS 23 0.860 -7.302 2.348 193 H GLU 24 H GLU 24 1.708 -9.010 4.438 194 HA GLU 24 HA GLU 24 4.534 -9.297 3.568 195 HB2 GLU 24 HB2 GLU 24 2.481 -11.437 4.326 196 HB3 GLU 24 HB3 GLU 24 4.078 -11.785 3.662 197 HG2 GLU 24 HG2 GLU 24 5.151 -10.791 5.620 198 HG3 GLU 24 HG3 GLU 24 3.581 -10.309 6.266 199 H ALA 25 H ALA 25 4.617 -10.926 1.629 200 HA ALA 25 HA ALA 25 2.342 -10.655 -0.226 201 HB1 ALA 25 HB1 ALA 25 3.832 -10.072 -2.099 202 HB2 ALA 25 HB2 ALA 25 5.214 -9.991 -1.002 203 HB3 ALA 25 HB3 ALA 25 3.894 -8.832 -0.841 204 H GLU 26 H GLU 26 1.844 -12.809 -0.076 205 HA GLU 26 HA GLU 26 3.903 -14.837 -0.589 206 HB2 GLU 26 HB2 GLU 26 2.134 -16.485 -0.070 207 HB3 GLU 26 HB3 GLU 26 2.361 -15.325 1.232 208 HG2 GLU 26 HG2 GLU 26 0.331 -14.114 0.467 209 HG3 GLU 26 HG3 GLU 26 0.104 -15.336 -0.788 210 H HIS 27 H HIS 27 1.315 -13.139 -2.236 211 HA HIS 27 HA HIS 27 1.960 -13.962 -4.833 212 HB2 HIS 27 HB2 HIS 27 1.045 -16.202 -3.897 213 HB3 HIS 27 HB3 HIS 27 -0.540 -15.449 -3.868 214 HD2 HIS 27 HD2 HIS 27 2.194 -16.420 -6.570 215 HE1 HIS 27 HE1 HIS 27 -1.640 -16.318 -8.363 216 HE2 HIS 27 HE2 HIS 27 0.776 -17.027 -8.646 217 H SER 28 H SER 28 -0.583 -13.702 -6.115 218 HA SER 28 HA SER 28 -2.294 -12.361 -6.660 219 HB2 SER 28 HB2 SER 28 -3.146 -13.068 -4.411 220 HB3 SER 28 HB3 SER 28 -2.430 -11.623 -3.698 221 HG SER 28 HG SER 28 -3.924 -10.390 -4.674 222 H SER 29 H SER 29 0.510 -11.275 -6.528 223 HA SER 29 HA SER 29 1.656 -9.387 -7.014 224 HB2 SER 29 HB2 SER 29 -1.108 -8.275 -7.634 225 HB3 SER 29 HB3 SER 29 0.405 -7.469 -8.041 226 HG SER 29 HG SER 29 0.928 -9.253 -9.363 227 H GLU 30 H GLU 30 0.506 -9.815 -4.250 228 HA GLU 30 HA GLU 30 -0.148 -7.446 -2.933 229 HB2 GLU 30 HB2 GLU 30 1.294 -9.946 -1.974 230 HB3 GLU 30 HB3 GLU 30 0.737 -8.700 -0.881 231 HG2 GLU 30 HG2 GLU 30 -1.584 -9.127 -1.527 232 HG3 GLU 30 HG3 GLU 30 -1.048 -10.337 -2.695 233 H LEU 31 H LEU 31 1.081 -5.975 -1.684 234 HA LEU 31 HA LEU 31 3.999 -5.961 -2.109 235 HB2 LEU 31 HB2 LEU 31 2.116 -3.785 -1.184 236 HB3 LEU 31 HB3 LEU 31 3.853 -3.654 -0.939 237 HG LEU 31 HG LEU 31 2.414 -3.846 -3.601 238 HD11 LEU 31 HD11 LEU 31 2.237 -1.653 -2.581 239 HD12 LEU 31 HD12 LEU 31 3.270 -1.595 -3.999 240 HD13 LEU 31 HD13 LEU 31 3.989 -1.565 -2.385 241 HD21 LEU 31 HD21 LEU 31 4.587 -3.575 -4.698 242 HD22 LEU 31 HD22 LEU 31 4.509 -5.072 -3.776 243 HD23 LEU 31 HD23 LEU 31 5.405 -3.692 -3.133 244 H SER 32 H SER 32 5.306 -6.580 -0.647 245 HA SER 32 HA SER 32 4.530 -7.085 2.132 246 HB2 SER 32 HB2 SER 32 6.952 -8.002 2.212 247 HB3 SER 32 HB3 SER 32 5.823 -8.862 1.166 248 HG SER 32 HG SER 32 7.158 -8.483 -0.396 249 H PHE 33 H PHE 33 5.106 -5.699 3.770 250 HA PHE 33 HA PHE 33 7.084 -3.644 3.480 251 HB2 PHE 33 HB2 PHE 33 5.487 -1.711 3.730 252 HB3 PHE 33 HB3 PHE 33 5.432 -2.512 2.176 253 HD1 PHE 33 HD1 PHE 33 3.567 -2.065 5.381 254 HD2 PHE 33 HD2 PHE 33 3.394 -3.461 1.337 255 HE1 PHE 33 HE1 PHE 33 1.110 -2.158 5.506 256 HE2 PHE 33 HE2 PHE 33 0.940 -3.558 1.484 257 HZ PHE 33 HZ PHE 33 -0.203 -2.902 3.568 258 H GLU 34 H GLU 34 7.323 -2.318 5.319 259 HA GLU 34 HA GLU 34 6.333 -3.484 7.860 260 HB2 GLU 34 HB2 GLU 34 8.946 -2.033 7.213 261 HB3 GLU 34 HB3 GLU 34 8.461 -2.515 8.837 262 HG2 GLU 34 HG2 GLU 34 8.590 -4.855 8.262 263 HG3 GLU 34 HG3 GLU 34 8.825 -4.478 6.558 264 H ILE 35 H ILE 35 6.456 -1.781 9.673 265 HA ILE 35 HA ILE 35 4.669 0.345 9.164 266 HB ILE 35 HB ILE 35 6.483 -0.162 11.569 267 HG12 ILE 35 HG12 ILE 35 3.518 -0.799 11.177 268 HG13 ILE 35 HG13 ILE 35 4.825 -1.976 11.108 269 HG21 ILE 35 HG21 ILE 35 4.126 1.746 11.379 270 HG22 ILE 35 HG22 ILE 35 5.823 2.199 11.537 271 HG23 ILE 35 HG23 ILE 35 5.018 1.350 12.853 272 HD11 ILE 35 HD11 ILE 35 3.987 -0.395 13.546 273 HD12 ILE 35 HD12 ILE 35 5.327 -1.542 13.477 274 HD13 ILE 35 HD13 ILE 35 3.676 -2.101 13.225 275 H GLY 36 H GLY 36 5.065 2.257 8.276 276 HA2 GLY 36 HA2 GLY 36 6.208 4.405 8.397 277 HA3 GLY 36 HA3 GLY 36 7.735 3.532 8.449 278 H ALA 37 H ALA 37 6.417 1.638 6.379 279 HA ALA 37 HA ALA 37 7.819 2.495 4.154 280 HB1 ALA 37 HB1 ALA 37 6.679 0.701 2.920 281 HB2 ALA 37 HB2 ALA 37 5.477 0.551 4.204 282 HB3 ALA 37 HB3 ALA 37 7.164 0.142 4.523 283 H ILE 38 H ILE 38 7.438 4.346 3.139 284 HA ILE 38 HA ILE 38 4.799 5.440 2.672 285 HB ILE 38 HB ILE 38 7.482 6.428 1.579 286 HG12 ILE 38 HG12 ILE 38 7.467 6.403 4.073 287 HG13 ILE 38 HG13 ILE 38 7.529 8.042 3.438 288 HG21 ILE 38 HG21 ILE 38 5.593 7.310 0.294 289 HG22 ILE 38 HG22 ILE 38 6.318 8.598 1.255 290 HG23 ILE 38 HG23 ILE 38 4.798 7.861 1.772 291 HD11 ILE 38 HD11 ILE 38 5.089 6.660 4.547 292 HD12 ILE 38 HD12 ILE 38 5.149 8.318 3.937 293 HD13 ILE 38 HD13 ILE 38 6.076 7.867 5.366 294 H PHE 39 H PHE 39 3.666 5.384 0.778 295 HA PHE 39 HA PHE 39 4.768 3.874 -1.528 296 HB2 PHE 39 HB2 PHE 39 1.835 4.160 -0.696 297 HB3 PHE 39 HB3 PHE 39 2.455 3.181 -2.023 298 HD1 PHE 39 HD1 PHE 39 3.757 1.107 -1.554 299 HD2 PHE 39 HD2 PHE 39 1.939 3.379 1.584 300 HE1 PHE 39 HE1 PHE 39 4.036 -0.779 -0.003 301 HE2 PHE 39 HE2 PHE 39 2.232 1.488 3.116 302 HZ PHE 39 HZ PHE 39 3.276 -0.573 2.323 303 H GLU 40 H GLU 40 4.642 4.799 -3.501 304 HA GLU 40 HA GLU 40 3.757 7.608 -3.662 305 HB2 GLU 40 HB2 GLU 40 5.910 6.086 -5.200 306 HB3 GLU 40 HB3 GLU 40 5.430 7.745 -5.541 307 HG2 GLU 40 HG2 GLU 40 6.679 6.742 -2.970 308 HG3 GLU 40 HG3 GLU 40 7.486 7.684 -4.221 309 H ASP 41 H ASP 41 2.594 8.302 -5.407 310 HA ASP 41 HA ASP 41 0.900 8.288 -6.882 311 HB2 ASP 41 HB2 ASP 41 2.845 7.803 -8.369 312 HB3 ASP 41 HB3 ASP 41 2.549 6.077 -8.193 313 H VAL 42 H VAL 42 0.162 7.046 -4.649 314 HA VAL 42 HA VAL 42 -0.822 4.382 -4.892 315 HB VAL 42 HB VAL 42 -1.859 6.535 -2.981 316 HG11 VAL 42 HG11 VAL 42 -1.971 3.499 -2.764 317 HG12 VAL 42 HG12 VAL 42 -3.334 4.568 -3.095 318 HG13 VAL 42 HG13 VAL 42 -2.522 4.641 -1.532 319 HG21 VAL 42 HG21 VAL 42 0.587 6.329 -2.790 320 HG22 VAL 42 HG22 VAL 42 0.433 4.586 -2.540 321 HG23 VAL 42 HG23 VAL 42 -0.222 5.711 -1.349 322 H GLN 43 H GLN 43 -2.621 3.664 -5.870 323 HA GLN 43 HA GLN 43 -4.782 5.522 -6.674 324 HB2 GLN 43 HB2 GLN 43 -3.670 3.223 -8.364 325 HB3 GLN 43 HB3 GLN 43 -4.974 4.316 -8.816 326 HG2 GLN 43 HG2 GLN 43 -2.050 5.049 -8.457 327 HG3 GLN 43 HG3 GLN 43 -2.919 4.918 -9.985 328 HE21 GLN 43 HE21 GLN 43 -1.462 7.205 -8.834 329 HE22 GLN 43 HE22 GLN 43 -2.603 8.499 -8.749 330 H THR 44 H THR 44 -6.887 4.464 -6.878 331 HA THR 44 HA THR 44 -7.299 2.364 -4.928 332 HB THR 44 HB THR 44 -9.370 3.610 -6.751 333 HG1 THR 44 HG1 THR 44 -8.187 4.622 -4.391 334 HG21 THR 44 HG21 THR 44 -10.946 3.115 -4.926 335 HG22 THR 44 HG22 THR 44 -9.642 2.398 -3.981 336 HG23 THR 44 HG23 THR 44 -10.158 1.635 -5.488 337 H SER 45 H SER 45 -7.378 0.272 -5.434 338 HA SER 45 HA SER 45 -7.122 -0.680 -8.156 339 HB2 SER 45 HB2 SER 45 -5.843 -1.783 -6.322 340 HB3 SER 45 HB3 SER 45 -7.350 -2.271 -5.558 341 HG SER 45 HG SER 45 -6.029 -3.357 -7.725 342 H ARG 46 H ARG 46 -8.522 -2.332 -9.058 343 HA ARG 46 HA ARG 46 -11.229 -1.749 -9.226 344 HB2 ARG 46 HB2 ARG 46 -11.530 -3.875 -10.425 345 HB3 ARG 46 HB3 ARG 46 -10.064 -3.073 -10.970 346 HG2 ARG 46 HG2 ARG 46 -10.002 -5.294 -8.900 347 HG3 ARG 46 HG3 ARG 46 -9.992 -5.631 -10.629 348 HD2 ARG 46 HD2 ARG 46 -7.876 -4.581 -10.929 349 HD3 ARG 46 HD3 ARG 46 -7.928 -3.814 -9.340 350 HE ARG 46 HE ARG 46 -7.986 -6.620 -9.033 351 HH11 ARG 46 HH11 ARG 46 -5.735 -4.059 -9.996 352 HH12 ARG 46 HH12 ARG 46 -4.339 -4.949 -9.479 353 HH21 ARG 46 HH21 ARG 46 -6.136 -7.718 -8.332 354 HH22 ARG 46 HH22 ARG 46 -4.567 -7.009 -8.541 355 H GLU 47 H GLU 47 -9.539 -3.919 -7.040 356 HA GLU 47 HA GLU 47 -11.916 -5.087 -5.855 357 HB2 GLU 47 HB2 GLU 47 -8.957 -5.155 -5.131 358 HB3 GLU 47 HB3 GLU 47 -10.189 -6.015 -4.209 359 HG2 GLU 47 HG2 GLU 47 -10.681 -7.473 -6.012 360 HG3 GLU 47 HG3 GLU 47 -9.787 -6.481 -7.171 361 HA PRO 48 HA PRO 48 -12.509 -1.394 -3.171 362 HB2 PRO 48 HB2 PRO 48 -14.535 -3.200 -1.867 363 HB3 PRO 48 HB3 PRO 48 -14.746 -1.570 -2.541 364 HG2 PRO 48 HG2 PRO 48 -15.717 -3.708 -3.808 365 HG3 PRO 48 HG3 PRO 48 -15.021 -2.346 -4.714 366 HD2 PRO 48 HD2 PRO 48 -13.779 -5.021 -4.080 367 HD3 PRO 48 HD3 PRO 48 -13.721 -4.078 -5.587 368 H GLY 49 H GLY 49 -11.072 -1.053 -1.611 369 HA2 GLY 49 HA2 GLY 49 -10.291 -1.242 0.628 370 HA3 GLY 49 HA3 GLY 49 -10.723 -2.944 0.642 371 H TRP 50 H TRP 50 -9.298 -2.616 -2.261 372 HA TRP 50 HA TRP 50 -6.532 -2.972 -1.259 373 HB2 TRP 50 HB2 TRP 50 -7.847 -4.058 -3.800 374 HB3 TRP 50 HB3 TRP 50 -6.113 -4.150 -3.475 375 HD1 TRP 50 HD1 TRP 50 -9.403 -5.794 -2.522 376 HE1 TRP 50 HE1 TRP 50 -8.948 -7.779 -0.975 377 HE3 TRP 50 HE3 TRP 50 -4.420 -5.040 -1.701 378 HZ2 TRP 50 HZ2 TRP 50 -6.763 -8.870 0.476 379 HZ3 TRP 50 HZ3 TRP 50 -3.222 -6.576 -0.194 380 HH2 TRP 50 HH2 TRP 50 -4.366 -8.456 0.868 381 H LEU 51 H LEU 51 -4.902 -1.808 -2.119 382 HA LEU 51 HA LEU 51 -5.523 0.369 -4.033 383 HB2 LEU 51 HB2 LEU 51 -3.661 0.485 -1.612 384 HB3 LEU 51 HB3 LEU 51 -3.938 1.799 -2.749 385 HG LEU 51 HG LEU 51 -5.972 0.639 -0.803 386 HD11 LEU 51 HD11 LEU 51 -4.308 2.023 0.305 387 HD12 LEU 51 HD12 LEU 51 -5.885 2.807 0.306 388 HD13 LEU 51 HD13 LEU 51 -4.630 3.354 -0.813 389 HD21 LEU 51 HD21 LEU 51 -7.488 2.421 -1.549 390 HD22 LEU 51 HD22 LEU 51 -7.113 1.288 -2.842 391 HD23 LEU 51 HD23 LEU 51 -6.341 2.877 -2.815 392 H GLU 52 H GLU 52 -3.654 0.999 -5.348 393 HA GLU 52 HA GLU 52 -1.429 -0.950 -5.422 394 HB2 GLU 52 HB2 GLU 52 -2.877 0.382 -7.756 395 HB3 GLU 52 HB3 GLU 52 -1.332 -0.457 -7.932 396 HG2 GLU 52 HG2 GLU 52 -2.346 -2.558 -7.197 397 HG3 GLU 52 HG3 GLU 52 -3.871 -1.731 -6.869 398 H GLY 53 H GLY 53 0.475 -0.073 -5.068 399 HA2 GLY 53 HA2 GLY 53 0.953 2.830 -5.338 400 HA3 GLY 53 HA3 GLY 53 1.052 2.105 -3.734 401 H THR 54 H THR 54 3.235 3.352 -5.115 402 HA THR 54 HA THR 54 4.944 1.200 -6.120 403 HB THR 54 HB THR 54 5.570 4.183 -5.924 404 HG1 THR 54 HG1 THR 54 4.084 2.731 -7.819 405 HG21 THR 54 HG21 THR 54 7.562 2.784 -6.277 406 HG22 THR 54 HG22 THR 54 7.183 3.705 -7.732 407 HG23 THR 54 HG23 THR 54 6.780 1.988 -7.649 408 H LEU 55 H LEU 55 6.299 0.215 -4.781 409 HA LEU 55 HA LEU 55 7.447 1.571 -2.425 410 HB2 LEU 55 HB2 LEU 55 5.590 -0.015 -1.782 411 HB3 LEU 55 HB3 LEU 55 6.480 -1.312 -2.552 412 HG LEU 55 HG LEU 55 8.373 -0.889 -0.886 413 HD11 LEU 55 HD11 LEU 55 6.314 0.829 0.522 414 HD12 LEU 55 HD12 LEU 55 7.806 1.391 -0.237 415 HD13 LEU 55 HD13 LEU 55 7.882 0.331 1.166 416 HD21 LEU 55 HD21 LEU 55 6.822 -2.764 -0.638 417 HD22 LEU 55 HD22 LEU 55 5.707 -1.748 0.280 418 HD23 LEU 55 HD23 LEU 55 7.307 -2.125 0.929 419 H ASN 56 H ASN 56 9.571 1.727 -2.858 420 HA ASN 56 HA ASN 56 11.692 1.354 -3.550 421 HB2 ASN 56 HB2 ASN 56 10.876 -1.552 -3.114 422 HB3 ASN 56 HB3 ASN 56 12.524 -1.065 -3.493 423 HD21 ASN 56 HD21 ASN 56 11.200 -2.275 -1.046 424 HD22 ASN 56 HD22 ASN 56 11.768 -1.306 0.260 425 H GLY 57 H GLY 57 9.577 1.601 -5.528 426 HA2 GLY 57 HA2 GLY 57 9.734 1.958 -7.825 427 HA3 GLY 57 HA3 GLY 57 11.099 0.851 -7.909 428 H LYS 58 H LYS 58 8.386 -0.346 -6.170 429 HA LYS 58 HA LYS 58 7.531 -2.001 -8.482 430 HB2 LYS 58 HB2 LYS 58 9.116 -3.207 -6.970 431 HB3 LYS 58 HB3 LYS 58 8.005 -2.972 -5.639 432 HG2 LYS 58 HG2 LYS 58 6.327 -4.389 -6.714 433 HG3 LYS 58 HG3 LYS 58 7.334 -4.549 -8.153 434 HD2 LYS 58 HD2 LYS 58 7.540 -6.580 -6.868 435 HD3 LYS 58 HD3 LYS 58 9.068 -5.714 -6.750 436 HE2 LYS 58 HE2 LYS 58 6.910 -5.645 -4.614 437 HE3 LYS 58 HE3 LYS 58 8.263 -6.771 -4.609 438 HZ1 LYS 58 HZ1 LYS 58 8.759 -4.942 -3.189 439 HZ2 LYS 58 HZ2 LYS 58 8.422 -3.813 -4.393 440 HZ3 LYS 58 HZ3 LYS 58 9.767 -4.828 -4.543 441 H ARG 59 H ARG 59 5.389 -2.104 -8.738 442 HA ARG 59 HA ARG 59 3.594 -0.874 -6.753 443 HB2 ARG 59 HB2 ARG 59 3.675 0.068 -9.073 444 HB3 ARG 59 HB3 ARG 59 3.143 -1.483 -9.702 445 HG2 ARG 59 HG2 ARG 59 1.022 -1.207 -8.370 446 HG3 ARG 59 HG3 ARG 59 1.565 0.420 -7.941 447 HD2 ARG 59 HD2 ARG 59 -0.007 0.433 -9.856 448 HD3 ARG 59 HD3 ARG 59 1.580 1.068 -10.305 449 HE ARG 59 HE ARG 59 1.013 -1.767 -10.835 450 HH11 ARG 59 HH11 ARG 59 1.379 1.484 -12.166 451 HH12 ARG 59 HH12 ARG 59 1.562 0.925 -13.795 452 HH21 ARG 59 HH21 ARG 59 1.290 -2.473 -12.997 453 HH22 ARG 59 HH22 ARG 59 1.508 -1.313 -14.266 454 H GLY 60 H GLY 60 1.809 -1.999 -5.972 455 HA2 GLY 60 HA2 GLY 60 0.718 -4.351 -7.132 456 HA3 GLY 60 HA3 GLY 60 1.775 -4.782 -5.790 457 H LEU 61 H LEU 61 -0.462 -5.656 -5.203 458 HA LEU 61 HA LEU 61 -2.489 -3.835 -4.345 459 HB2 LEU 61 HB2 LEU 61 -2.149 -6.827 -3.978 460 HB3 LEU 61 HB3 LEU 61 -3.522 -5.948 -3.323 461 HG LEU 61 HG LEU 61 -2.821 -6.205 -6.254 462 HD11 LEU 61 HD11 LEU 61 -4.833 -7.561 -6.430 463 HD12 LEU 61 HD12 LEU 61 -5.097 -7.419 -4.688 464 HD13 LEU 61 HD13 LEU 61 -3.676 -8.268 -5.304 465 HD21 LEU 61 HD21 LEU 61 -5.152 -4.765 -4.970 466 HD22 LEU 61 HD22 LEU 61 -4.978 -5.083 -6.697 467 HD23 LEU 61 HD23 LEU 61 -3.825 -4.034 -5.876 468 H ILE 62 H ILE 62 -2.656 -2.876 -2.536 469 HA ILE 62 HA ILE 62 -1.082 -3.565 -0.153 470 HB ILE 62 HB ILE 62 -2.191 -0.833 -0.988 471 HG12 ILE 62 HG12 ILE 62 0.689 -1.805 -1.304 472 HG13 ILE 62 HG13 ILE 62 -0.461 -1.598 -2.621 473 HG21 ILE 62 HG21 ILE 62 -0.130 -1.527 1.129 474 HG22 ILE 62 HG22 ILE 62 -1.819 -1.115 1.438 475 HG23 ILE 62 HG23 ILE 62 -0.733 0.087 0.740 476 HD11 ILE 62 HD11 ILE 62 -0.552 0.799 -2.186 477 HD12 ILE 62 HD12 ILE 62 1.100 0.255 -2.496 478 HD13 ILE 62 HD13 ILE 62 0.584 0.608 -0.845 479 HA PRO 63 HA PRO 63 -5.263 -3.874 1.719 480 HB2 PRO 63 HB2 PRO 63 -3.795 -3.901 4.323 481 HB3 PRO 63 HB3 PRO 63 -4.879 -5.128 3.632 482 HG2 PRO 63 HG2 PRO 63 -2.225 -5.533 3.820 483 HG3 PRO 63 HG3 PRO 63 -3.188 -6.191 2.476 484 HD2 PRO 63 HD2 PRO 63 -1.407 -3.764 2.504 485 HD3 PRO 63 HD3 PRO 63 -1.600 -5.009 1.248 486 H GLN 64 H GLN 64 -6.476 -2.133 1.991 487 HA GLN 64 HA GLN 64 -5.454 0.494 2.089 488 HB2 GLN 64 HB2 GLN 64 -7.519 -0.131 0.919 489 HB3 GLN 64 HB3 GLN 64 -8.291 -0.542 2.445 490 HG2 GLN 64 HG2 GLN 64 -8.296 1.788 3.127 491 HG3 GLN 64 HG3 GLN 64 -7.371 2.241 1.695 492 HE21 GLN 64 HE21 GLN 64 -10.477 1.090 2.845 493 HE22 GLN 64 HE22 GLN 64 -11.391 1.552 1.453 494 H ASN 65 H ASN 65 -7.051 -1.478 4.603 495 HA ASN 65 HA ASN 65 -7.138 0.525 6.630 496 HB2 ASN 65 HB2 ASN 65 -7.140 -2.512 6.902 497 HB3 ASN 65 HB3 ASN 65 -7.468 -1.398 8.226 498 HD21 ASN 65 HD21 ASN 65 -8.789 -2.993 5.493 499 HD22 ASN 65 HD22 ASN 65 -10.383 -2.353 5.608 500 H TYR 66 H TYR 66 -4.575 -1.524 5.478 501 HA TYR 66 HA TYR 66 -2.889 -1.313 7.829 502 HB2 TYR 66 HB2 TYR 66 -2.470 -2.509 5.070 503 HB3 TYR 66 HB3 TYR 66 -1.143 -2.373 6.219 504 HD1 TYR 66 HD2 TYR 66 -4.626 -3.224 7.275 505 HD2 TYR 66 HD1 TYR 66 -0.738 -4.751 6.370 506 HE1 TYR 66 HE2 TYR 66 -5.243 -5.387 8.250 507 HE2 TYR 66 HE1 TYR 66 -1.360 -6.918 7.345 508 HH TYR 66 HH TYR 66 -2.960 -7.837 8.920 509 H VAL 67 H VAL 67 -3.588 0.818 5.309 510 HA VAL 67 HA VAL 67 -1.082 2.316 5.803 511 HB VAL 67 HB VAL 67 -1.144 3.208 3.494 512 HG11 VAL 67 HG11 VAL 67 -0.969 0.180 3.632 513 HG12 VAL 67 HG12 VAL 67 0.306 1.324 4.061 514 HG13 VAL 67 HG13 VAL 67 -0.249 1.215 2.391 515 HG21 VAL 67 HG21 VAL 67 -3.341 1.160 2.972 516 HG22 VAL 67 HG22 VAL 67 -2.521 2.131 1.742 517 HG23 VAL 67 HG23 VAL 67 -3.524 2.916 2.961 518 H LYS 68 H LYS 68 -1.181 4.557 5.405 519 HA LYS 68 HA LYS 68 -3.744 5.841 6.140 520 HB2 LYS 68 HB2 LYS 68 -2.014 5.704 7.981 521 HB3 LYS 68 HB3 LYS 68 -0.891 6.598 6.960 522 HG2 LYS 68 HG2 LYS 68 -2.517 8.511 6.961 523 HG3 LYS 68 HG3 LYS 68 -3.507 7.596 8.108 524 HD2 LYS 68 HD2 LYS 68 -1.552 7.553 9.685 525 HD3 LYS 68 HD3 LYS 68 -0.659 8.580 8.559 526 HE2 LYS 68 HE2 LYS 68 -1.630 9.900 10.390 527 HE3 LYS 68 HE3 LYS 68 -2.352 10.359 8.846 528 HZ1 LYS 68 HZ1 LYS 68 -3.573 8.499 10.823 529 HZ2 LYS 68 HZ2 LYS 68 -4.275 9.011 9.373 530 HZ3 LYS 68 HZ3 LYS 68 -4.005 10.123 10.616 531 H LEU 69 H LEU 69 -4.408 7.056 4.388 532 HA LEU 69 HA LEU 69 -2.629 7.583 2.197 533 HB2 LEU 69 HB2 LEU 69 -5.544 8.305 2.687 534 HB3 LEU 69 HB3 LEU 69 -4.700 8.647 1.185 535 HG LEU 69 HG LEU 69 -5.131 5.852 2.314 536 HD11 LEU 69 HD11 LEU 69 -7.261 6.844 1.661 537 HD12 LEU 69 HD12 LEU 69 -6.804 5.546 0.563 538 HD13 LEU 69 HD13 LEU 69 -6.619 7.231 0.061 539 HD21 LEU 69 HD21 LEU 69 -3.126 5.977 0.951 540 HD22 LEU 69 HD22 LEU 69 -4.021 6.750 -0.361 541 HD23 LEU 69 HD23 LEU 69 -4.378 5.083 0.098 542 H LEU 70 H LEU 70 -1.271 9.196 2.193 543 HA LEU 70 HA LEU 70 -1.592 11.550 3.890 544 HB2 LEU 70 HB2 LEU 70 0.780 10.811 2.130 545 HB3 LEU 70 HB3 LEU 70 0.764 11.945 3.472 546 HG LEU 70 HG LEU 70 0.454 8.926 3.708 547 HD11 LEU 70 HD11 LEU 70 2.699 8.937 4.675 548 HD12 LEU 70 HD12 LEU 70 2.848 10.666 4.344 549 HD13 LEU 70 HD13 LEU 70 2.695 9.514 3.012 550 HD21 LEU 70 HD21 LEU 70 0.687 11.002 5.907 551 HD22 LEU 70 HD22 LEU 70 0.679 9.248 6.124 552 HD23 LEU 70 HD23 LEU 70 -0.749 10.062 5.495 Start of MODEL 19 1 H1 MET 1 H1 MET 1 8.065 11.042 -18.167 2 H2 MET 1 H2 MET 1 6.783 10.014 -17.774 3 H3 MET 1 H3 MET 1 6.640 11.675 -17.516 4 HA MET 1 HA MET 1 6.711 12.114 -19.841 5 HB2 MET 1 HB2 MET 1 8.185 10.269 -20.519 6 HB3 MET 1 HB3 MET 1 6.958 9.082 -20.090 7 HG2 MET 1 HG2 MET 1 7.141 9.444 -22.538 8 HG3 MET 1 HG3 MET 1 5.534 9.827 -21.913 9 HE1 MET 1 HE1 MET 1 6.356 10.803 -24.790 10 HE2 MET 1 HE2 MET 1 5.822 12.484 -24.740 11 HE3 MET 1 HE3 MET 1 4.825 11.222 -24.016 12 H GLY 2 H GLY 2 4.695 12.446 -20.774 13 HA2 GLY 2 HA2 GLY 2 2.331 11.447 -19.364 14 HA3 GLY 2 HA3 GLY 2 2.397 12.717 -20.578 15 H HIS 3 H HIS 3 2.805 9.185 -20.235 16 HA HIS 3 HA HIS 3 2.210 8.599 -22.994 17 HB2 HIS 3 HB2 HIS 3 2.309 6.780 -20.551 18 HB3 HIS 3 HB3 HIS 3 2.059 6.201 -22.195 19 HD1 HIS 3 HD1 HIS 3 4.632 6.398 -19.829 20 HD2 HIS 3 HD2 HIS 3 4.425 7.224 -23.897 21 HE1 HIS 3 HE1 HIS 3 6.987 6.253 -20.667 22 HE2 HIS 3 HE2 HIS 3 6.813 6.594 -23.152 23 H HIS 4 H HIS 4 0.251 8.172 -23.919 24 HA HIS 4 HA HIS 4 -2.111 7.688 -22.256 25 HB2 HIS 4 HB2 HIS 4 -3.433 9.458 -23.467 26 HB3 HIS 4 HB3 HIS 4 -2.209 10.080 -22.376 27 HD1 HIS 4 HD1 HIS 4 -0.200 11.346 -23.427 28 HD2 HIS 4 HD2 HIS 4 -3.033 10.088 -26.190 29 HE1 HIS 4 HE1 HIS 4 0.312 12.580 -25.549 30 HE2 HIS 4 HE2 HIS 4 -1.330 11.697 -27.225 31 H HIS 5 H HIS 5 -1.029 5.729 -23.592 32 HA HIS 5 HA HIS 5 -2.171 5.156 -26.120 33 HB2 HIS 5 HB2 HIS 5 -0.398 3.727 -25.118 34 HB3 HIS 5 HB3 HIS 5 -1.510 3.212 -23.849 35 HD1 HIS 5 HD1 HIS 5 -0.882 2.829 -27.570 36 HD2 HIS 5 HD2 HIS 5 -3.225 1.125 -24.595 37 HE1 HIS 5 HE1 HIS 5 -1.952 0.817 -28.613 38 HE2 HIS 5 HE2 HIS 5 -3.463 -0.109 -26.837 39 H HIS 6 H HIS 6 -3.435 5.051 -22.864 40 HA HIS 6 HA HIS 6 -6.150 4.369 -23.750 41 HB2 HIS 6 HB2 HIS 6 -5.040 5.190 -21.025 42 HB3 HIS 6 HB3 HIS 6 -6.711 4.731 -21.322 43 HD1 HIS 6 HD1 HIS 6 -7.231 2.358 -20.900 44 HD2 HIS 6 HD2 HIS 6 -3.191 2.919 -21.627 45 HE1 HIS 6 HE1 HIS 6 -6.166 0.122 -20.537 46 HE2 HIS 6 HE2 HIS 6 -3.780 0.449 -21.211 47 H HIS 7 H HIS 7 -7.315 5.980 -24.692 48 HA HIS 7 HA HIS 7 -6.590 8.701 -24.761 49 HB2 HIS 7 HB2 HIS 7 -8.047 7.665 -26.489 50 HB3 HIS 7 HB3 HIS 7 -9.347 7.498 -25.310 51 HD1 HIS 7 HD1 HIS 7 -10.688 9.652 -24.719 52 HD2 HIS 7 HD2 HIS 7 -7.649 10.287 -27.487 53 HE1 HIS 7 HE1 HIS 7 -11.102 11.935 -25.674 54 HE2 HIS 7 HE2 HIS 7 -9.178 12.348 -27.238 55 H HIS 8 H HIS 8 -8.994 6.976 -22.781 56 HA HIS 8 HA HIS 8 -9.203 9.201 -20.912 57 HB2 HIS 8 HB2 HIS 8 -11.189 7.808 -21.135 58 HB3 HIS 8 HB3 HIS 8 -10.279 6.348 -20.769 59 HD1 HIS 8 HD1 HIS 8 -10.560 5.588 -18.418 60 HD2 HIS 8 HD2 HIS 8 -11.027 9.698 -18.740 61 HE1 HIS 8 HE1 HIS 8 -11.131 6.387 -16.115 62 HE2 HIS 8 HE2 HIS 8 -11.358 8.873 -16.331 63 H SER 9 H SER 9 -7.028 9.490 -20.483 64 HA SER 9 HA SER 9 -5.302 7.585 -19.259 65 HB2 SER 9 HB2 SER 9 -5.174 10.635 -19.155 66 HB3 SER 9 HB3 SER 9 -3.844 9.513 -18.860 67 HG SER 9 HG SER 9 -4.635 8.807 -21.174 68 H HIS 10 H HIS 10 -4.365 8.127 -17.035 69 HA HIS 10 HA HIS 10 -6.450 7.892 -15.056 70 HB2 HIS 10 HB2 HIS 10 -3.414 7.898 -14.711 71 HB3 HIS 10 HB3 HIS 10 -4.588 7.404 -13.494 72 HD1 HIS 10 HD1 HIS 10 -5.996 5.207 -14.096 73 HD2 HIS 10 HD2 HIS 10 -2.657 5.883 -16.453 74 HE1 HIS 10 HE1 HIS 10 -5.456 3.004 -15.144 75 HE2 HIS 10 HE2 HIS 10 -3.584 3.502 -16.729 76 H MET 11 H MET 11 -7.440 9.929 -15.096 77 HA MET 11 HA MET 11 -5.815 12.337 -14.547 78 HB2 MET 11 HB2 MET 11 -8.665 12.053 -15.592 79 HB3 MET 11 HB3 MET 11 -7.871 13.591 -15.287 80 HG2 MET 11 HG2 MET 11 -6.772 11.567 -17.252 81 HG3 MET 11 HG3 MET 11 -7.944 12.798 -17.707 82 HE1 MET 11 HE1 MET 11 -4.234 11.936 -17.291 83 HE2 MET 11 HE2 MET 11 -4.397 12.652 -15.687 84 HE3 MET 11 HE3 MET 11 -3.446 13.470 -16.927 85 H ILE 12 H ILE 12 -6.163 13.664 -12.897 86 HA ILE 12 HA ILE 12 -6.450 14.317 -10.792 87 HB ILE 12 HB ILE 12 -9.371 13.879 -11.528 88 HG12 ILE 12 HG12 ILE 12 -9.322 16.439 -11.821 89 HG13 ILE 12 HG13 ILE 12 -7.578 16.356 -11.679 90 HG21 ILE 12 HG21 ILE 12 -9.205 13.998 -9.076 91 HG22 ILE 12 HG22 ILE 12 -9.946 15.472 -9.701 92 HG23 ILE 12 HG23 ILE 12 -8.257 15.482 -9.191 93 HD11 ILE 12 HD11 ILE 12 -9.243 15.078 -13.834 94 HD12 ILE 12 HD12 ILE 12 -7.484 15.028 -13.725 95 HD13 ILE 12 HD13 ILE 12 -8.309 16.566 -13.983 96 H ARG 13 H ARG 13 -5.298 12.589 -9.893 97 HA ARG 13 HA ARG 13 -6.548 11.218 -7.748 98 HB2 ARG 13 HB2 ARG 13 -6.319 8.895 -8.454 99 HB3 ARG 13 HB3 ARG 13 -7.314 9.742 -9.632 100 HG2 ARG 13 HG2 ARG 13 -5.147 9.983 -11.036 101 HG3 ARG 13 HG3 ARG 13 -4.455 8.773 -9.949 102 HD2 ARG 13 HD2 ARG 13 -5.317 7.674 -11.933 103 HD3 ARG 13 HD3 ARG 13 -6.332 7.238 -10.548 104 HE ARG 13 HE ARG 13 -7.174 9.509 -12.203 105 HH11 ARG 13 HH11 ARG 13 -7.714 6.135 -11.355 106 HH12 ARG 13 HH12 ARG 13 -9.291 6.103 -12.074 107 HH21 ARG 13 HH21 ARG 13 -9.206 9.435 -13.108 108 HH22 ARG 13 HH22 ARG 13 -10.131 7.970 -13.068 109 H SER 14 H SER 14 -4.710 9.171 -7.338 110 HA SER 14 HA SER 14 -2.618 8.468 -7.016 111 HB2 SER 14 HB2 SER 14 -1.890 9.400 -9.177 112 HB3 SER 14 HB3 SER 14 -1.644 10.982 -8.438 113 HG SER 14 HG SER 14 0.098 9.070 -8.660 114 H ARG 15 H ARG 15 -1.619 8.445 -5.160 115 HA ARG 15 HA ARG 15 -1.604 10.768 -3.338 116 HB2 ARG 15 HB2 ARG 15 -2.740 8.037 -2.641 117 HB3 ARG 15 HB3 ARG 15 -2.421 9.322 -1.483 118 HG2 ARG 15 HG2 ARG 15 -4.046 10.597 -3.347 119 HG3 ARG 15 HG3 ARG 15 -4.712 8.967 -3.322 120 HD2 ARG 15 HD2 ARG 15 -5.909 10.218 -1.706 121 HD3 ARG 15 HD3 ARG 15 -4.799 9.187 -0.809 122 HE ARG 15 HE ARG 15 -3.355 11.163 -0.540 123 HH11 ARG 15 HH11 ARG 15 -6.739 11.769 -1.295 124 HH12 ARG 15 HH12 ARG 15 -6.729 13.366 -0.623 125 HH21 ARG 15 HH21 ARG 15 -3.350 13.264 0.308 126 HH22 ARG 15 HH22 ARG 15 -4.803 14.211 0.288 127 H LYS 16 H LYS 16 -0.221 10.280 -1.375 128 HA LYS 16 HA LYS 16 1.704 8.067 -1.795 129 HB2 LYS 16 HB2 LYS 16 1.750 10.271 0.303 130 HB3 LYS 16 HB3 LYS 16 2.955 8.995 0.131 131 HG2 LYS 16 HG2 LYS 16 3.467 9.893 -2.159 132 HG3 LYS 16 HG3 LYS 16 2.392 11.258 -1.807 133 HD2 LYS 16 HD2 LYS 16 3.837 11.709 0.253 134 HD3 LYS 16 HD3 LYS 16 4.967 10.499 -0.368 135 HE2 LYS 16 HE2 LYS 16 4.173 13.100 -1.717 136 HE3 LYS 16 HE3 LYS 16 5.729 12.731 -0.971 137 HZ1 LYS 16 HZ1 LYS 16 6.044 11.003 -2.645 138 HZ2 LYS 16 HZ2 LYS 16 5.857 12.526 -3.348 139 HZ3 LYS 16 HZ3 LYS 16 4.582 11.418 -3.371 140 H ALA 17 H ALA 17 2.202 6.999 0.447 141 HA ALA 17 HA ALA 17 0.001 6.933 2.326 142 HB1 ALA 17 HB1 ALA 17 -0.731 5.225 0.699 143 HB2 ALA 17 HB2 ALA 17 -0.310 4.476 2.241 144 HB3 ALA 17 HB3 ALA 17 0.807 4.379 0.876 145 H ARG 18 H ARG 18 0.582 5.801 4.270 146 HA ARG 18 HA ARG 18 3.435 5.093 4.607 147 HB2 ARG 18 HB2 ARG 18 2.967 7.333 5.621 148 HB3 ARG 18 HB3 ARG 18 1.694 6.615 6.601 149 HG2 ARG 18 HG2 ARG 18 3.437 5.180 7.712 150 HG3 ARG 18 HG3 ARG 18 4.669 6.032 6.779 151 HD2 ARG 18 HD2 ARG 18 3.904 8.174 7.822 152 HD3 ARG 18 HD3 ARG 18 2.782 7.246 8.820 153 HE ARG 18 HE ARG 18 5.463 6.311 9.089 154 HH11 ARG 18 HH11 ARG 18 3.302 8.863 10.188 155 HH12 ARG 18 HH12 ARG 18 4.176 9.129 11.658 156 HH21 ARG 18 HH21 ARG 18 6.583 6.670 11.037 157 HH22 ARG 18 HH22 ARG 18 6.030 7.889 12.140 158 H ALA 19 H ALA 19 3.565 3.031 5.211 159 HA ALA 19 HA ALA 19 1.353 1.391 5.855 160 HB1 ALA 19 HB1 ALA 19 3.429 0.500 4.870 161 HB2 ALA 19 HB2 ALA 19 3.083 -0.310 6.396 162 HB3 ALA 19 HB3 ALA 19 4.332 0.935 6.326 163 H VAL 20 H VAL 20 0.240 1.627 7.687 164 HA VAL 20 HA VAL 20 1.528 2.432 10.219 165 HB VAL 20 HB VAL 20 -0.851 2.719 11.055 166 HG11 VAL 20 HG11 VAL 20 0.420 4.664 10.228 167 HG12 VAL 20 HG12 VAL 20 -1.289 4.832 9.834 168 HG13 VAL 20 HG13 VAL 20 -0.140 4.355 8.580 169 HG21 VAL 20 HG21 VAL 20 -2.724 2.794 9.427 170 HG22 VAL 20 HG22 VAL 20 -2.021 1.176 9.506 171 HG23 VAL 20 HG23 VAL 20 -1.642 2.234 8.147 172 H TYR 21 H TYR 21 0.096 -0.295 8.590 173 HA TYR 21 HA TYR 21 0.716 -1.978 10.951 174 HB2 TYR 21 HB2 TYR 21 -1.374 -2.469 8.766 175 HB3 TYR 21 HB3 TYR 21 -0.949 -3.624 10.026 176 HD1 TYR 21 HD2 TYR 21 -1.132 -2.693 12.519 177 HD2 TYR 21 HD1 TYR 21 -3.239 -1.069 9.166 178 HE1 TYR 21 HE2 TYR 21 -2.764 -1.668 14.038 179 HE2 TYR 21 HE1 TYR 21 -4.864 -0.026 10.692 180 HH TYR 21 HH TYR 21 -5.694 -0.284 12.933 181 HA PRO 22 HA PRO 22 3.648 -4.014 8.170 182 HB2 PRO 22 HB2 PRO 22 3.987 -6.404 9.465 183 HB3 PRO 22 HB3 PRO 22 4.628 -4.884 10.117 184 HG2 PRO 22 HG2 PRO 22 2.113 -6.332 10.888 185 HG3 PRO 22 HG3 PRO 22 3.337 -5.579 11.936 186 HD2 PRO 22 HD2 PRO 22 0.981 -4.344 11.307 187 HD3 PRO 22 HD3 PRO 22 2.475 -3.443 11.640 188 H CYS 23 H CYS 23 3.811 -5.956 6.809 189 HA CYS 23 HA CYS 23 1.467 -7.541 6.214 190 HB2 CYS 23 HB2 CYS 23 0.814 -5.456 5.108 191 HB3 CYS 23 HB3 CYS 23 2.377 -5.339 4.308 192 HG CYS 23 HG CYS 23 1.791 -6.715 2.247 193 H GLU 24 H GLU 24 3.031 -9.161 6.625 194 HA GLU 24 HA GLU 24 5.234 -9.601 4.807 195 HB2 GLU 24 HB2 GLU 24 5.183 -10.481 7.184 196 HB3 GLU 24 HB3 GLU 24 3.876 -11.567 6.713 197 HG2 GLU 24 HG2 GLU 24 5.459 -12.578 5.002 198 HG3 GLU 24 HG3 GLU 24 6.748 -11.606 5.712 199 H ALA 25 H ALA 25 3.998 -9.276 2.826 200 HA ALA 25 HA ALA 25 1.747 -10.978 2.162 201 HB1 ALA 25 HB1 ALA 25 1.783 -9.802 -0.026 202 HB2 ALA 25 HB2 ALA 25 3.292 -9.004 0.436 203 HB3 ALA 25 HB3 ALA 25 1.810 -8.668 1.330 204 H GLU 26 H GLU 26 1.892 -12.926 1.272 205 HA GLU 26 HA GLU 26 4.484 -13.889 0.206 206 HB2 GLU 26 HB2 GLU 26 3.600 -16.157 0.569 207 HB3 GLU 26 HB3 GLU 26 3.593 -15.217 2.054 208 HG2 GLU 26 HG2 GLU 26 1.175 -14.863 1.866 209 HG3 GLU 26 HG3 GLU 26 1.150 -15.711 0.319 210 H HIS 27 H HIS 27 1.794 -12.483 -0.932 211 HA HIS 27 HA HIS 27 1.168 -14.319 -3.128 212 HB2 HIS 27 HB2 HIS 27 -0.126 -11.661 -2.342 213 HB3 HIS 27 HB3 HIS 27 -0.743 -12.803 -3.538 214 HD2 HIS 27 HD2 HIS 27 -2.096 -15.003 -2.517 215 HE1 HIS 27 HE1 HIS 27 -1.726 -13.863 1.535 216 HE2 HIS 27 HE2 HIS 27 -2.934 -15.370 -0.092 217 H SER 28 H SER 28 1.021 -13.528 -5.305 218 HA SER 28 HA SER 28 3.415 -12.238 -6.174 219 HB2 SER 28 HB2 SER 28 2.288 -14.095 -7.430 220 HB3 SER 28 HB3 SER 28 0.950 -13.008 -7.795 221 HG SER 28 HG SER 28 2.089 -12.468 -9.465 222 H SER 29 H SER 29 -0.027 -11.380 -6.370 223 HA SER 29 HA SER 29 0.268 -8.865 -7.624 224 HB2 SER 29 HB2 SER 29 -2.023 -9.927 -5.905 225 HB3 SER 29 HB3 SER 29 -2.117 -8.564 -7.027 226 HG SER 29 HG SER 29 -2.403 -11.171 -7.540 227 H GLU 30 H GLU 30 0.153 -9.833 -4.214 228 HA GLU 30 HA GLU 30 -0.302 -7.181 -3.185 229 HB2 GLU 30 HB2 GLU 30 0.373 -9.823 -1.813 230 HB3 GLU 30 HB3 GLU 30 -0.013 -8.332 -0.954 231 HG2 GLU 30 HG2 GLU 30 -2.243 -8.294 -2.085 232 HG3 GLU 30 HG3 GLU 30 -1.852 -9.840 -2.840 233 H LEU 31 H LEU 31 1.115 -5.812 -2.232 234 HA LEU 31 HA LEU 31 3.991 -6.265 -2.503 235 HB2 LEU 31 HB2 LEU 31 2.417 -3.842 -1.536 236 HB3 LEU 31 HB3 LEU 31 4.176 -3.913 -1.552 237 HG LEU 31 HG LEU 31 2.353 -4.028 -3.960 238 HD11 LEU 31 HD11 LEU 31 4.313 -1.899 -3.072 239 HD12 LEU 31 HD12 LEU 31 2.548 -1.795 -3.004 240 HD13 LEU 31 HD13 LEU 31 3.366 -1.884 -4.563 241 HD21 LEU 31 HD21 LEU 31 4.390 -4.022 -5.344 242 HD22 LEU 31 HD22 LEU 31 4.260 -5.482 -4.369 243 HD23 LEU 31 HD23 LEU 31 5.379 -4.201 -3.891 244 H SER 32 H SER 32 5.349 -6.589 -0.892 245 HA SER 32 HA SER 32 4.383 -7.112 1.829 246 HB2 SER 32 HB2 SER 32 7.148 -7.456 0.580 247 HB3 SER 32 HB3 SER 32 6.683 -7.985 2.202 248 HG SER 32 HG SER 32 5.083 -8.859 0.100 249 H PHE 33 H PHE 33 4.844 -5.752 3.548 250 HA PHE 33 HA PHE 33 6.858 -3.721 3.444 251 HB2 PHE 33 HB2 PHE 33 5.289 -1.775 3.760 252 HB3 PHE 33 HB3 PHE 33 5.274 -2.479 2.153 253 HD1 PHE 33 HD1 PHE 33 3.303 -2.085 5.287 254 HD2 PHE 33 HD2 PHE 33 3.247 -3.472 1.231 255 HE1 PHE 33 HE1 PHE 33 0.849 -2.161 5.342 256 HE2 PHE 33 HE2 PHE 33 0.789 -3.554 1.307 257 HZ PHE 33 HZ PHE 33 -0.409 -2.891 3.357 258 H GLU 34 H GLU 34 6.847 -2.336 5.387 259 HA GLU 34 HA GLU 34 5.585 -3.482 7.801 260 HB2 GLU 34 HB2 GLU 34 8.545 -2.775 7.498 261 HB3 GLU 34 HB3 GLU 34 7.766 -3.119 9.040 262 HG2 GLU 34 HG2 GLU 34 7.254 -5.425 8.222 263 HG3 GLU 34 HG3 GLU 34 8.124 -5.065 6.732 264 H ILE 35 H ILE 35 5.811 -1.929 9.648 265 HA ILE 35 HA ILE 35 4.538 0.473 9.050 266 HB ILE 35 HB ILE 35 6.025 -0.220 11.630 267 HG12 ILE 35 HG12 ILE 35 3.091 -0.660 10.915 268 HG13 ILE 35 HG13 ILE 35 4.309 -1.928 10.989 269 HG21 ILE 35 HG21 ILE 35 4.516 1.404 12.735 270 HG22 ILE 35 HG22 ILE 35 3.808 1.822 11.176 271 HG23 ILE 35 HG23 ILE 35 5.501 2.195 11.503 272 HD11 ILE 35 HD11 ILE 35 4.599 -1.484 13.398 273 HD12 ILE 35 HD12 ILE 35 2.960 -1.964 12.974 274 HD13 ILE 35 HD13 ILE 35 3.315 -0.272 13.313 275 H GLY 36 H GLY 36 5.327 2.241 8.134 276 HA2 GLY 36 HA2 GLY 36 6.753 4.225 8.491 277 HA3 GLY 36 HA3 GLY 36 8.119 3.140 8.682 278 H ALA 37 H ALA 37 6.564 1.611 6.355 279 HA ALA 37 HA ALA 37 8.189 2.485 4.204 280 HB1 ALA 37 HB1 ALA 37 5.714 0.707 4.160 281 HB2 ALA 37 HB2 ALA 37 7.375 0.155 4.384 282 HB3 ALA 37 HB3 ALA 37 6.886 0.876 2.851 283 H ILE 38 H ILE 38 7.871 4.490 3.372 284 HA ILE 38 HA ILE 38 5.228 5.595 2.880 285 HB ILE 38 HB ILE 38 7.911 6.701 1.924 286 HG12 ILE 38 HG12 ILE 38 7.855 6.588 4.411 287 HG13 ILE 38 HG13 ILE 38 7.827 8.257 3.854 288 HG21 ILE 38 HG21 ILE 38 6.684 8.857 1.651 289 HG22 ILE 38 HG22 ILE 38 5.181 8.052 2.108 290 HG23 ILE 38 HG23 ILE 38 6.012 7.587 0.624 291 HD11 ILE 38 HD11 ILE 38 5.405 8.329 4.274 292 HD12 ILE 38 HD12 ILE 38 6.343 7.943 5.715 293 HD13 ILE 38 HD13 ILE 38 5.478 6.665 4.865 294 H PHE 39 H PHE 39 4.094 5.298 1.097 295 HA PHE 39 HA PHE 39 5.274 4.084 -1.326 296 HB2 PHE 39 HB2 PHE 39 2.310 4.229 -0.580 297 HB3 PHE 39 HB3 PHE 39 3.046 3.260 -1.854 298 HD1 PHE 39 HD1 PHE 39 4.305 1.198 -1.314 299 HD2 PHE 39 HD2 PHE 39 2.382 3.505 1.740 300 HE1 PHE 39 HE1 PHE 39 4.528 -0.667 0.274 301 HE2 PHE 39 HE2 PHE 39 2.619 1.640 3.293 302 HZ PHE 39 HZ PHE 39 3.686 -0.427 2.567 303 H GLU 40 H GLU 40 4.479 4.922 -3.365 304 HA GLU 40 HA GLU 40 3.365 7.656 -3.348 305 HB2 GLU 40 HB2 GLU 40 5.836 6.807 -4.936 306 HB3 GLU 40 HB3 GLU 40 5.036 8.375 -5.035 307 HG2 GLU 40 HG2 GLU 40 5.572 8.765 -2.621 308 HG3 GLU 40 HG3 GLU 40 6.454 7.238 -2.600 309 H ASP 41 H ASP 41 2.327 8.259 -5.332 310 HA ASP 41 HA ASP 41 0.909 7.980 -7.048 311 HB2 ASP 41 HB2 ASP 41 3.013 7.375 -8.253 312 HB3 ASP 41 HB3 ASP 41 2.757 5.684 -7.838 313 H VAL 42 H VAL 42 0.236 6.771 -4.613 314 HA VAL 42 HA VAL 42 -0.936 4.179 -4.975 315 HB VAL 42 HB VAL 42 -1.612 6.154 -2.758 316 HG11 VAL 42 HG11 VAL 42 -2.208 4.111 -1.474 317 HG12 VAL 42 HG12 VAL 42 -1.834 3.122 -2.886 318 HG13 VAL 42 HG13 VAL 42 -3.178 4.264 -2.943 319 HG21 VAL 42 HG21 VAL 42 0.843 5.824 -2.848 320 HG22 VAL 42 HG22 VAL 42 0.611 4.077 -2.761 321 HG23 VAL 42 HG23 VAL 42 0.147 5.096 -1.397 322 H GLN 43 H GLN 43 -2.842 3.734 -5.906 323 HA GLN 43 HA GLN 43 -4.868 5.855 -6.400 324 HB2 GLN 43 HB2 GLN 43 -3.893 3.797 -8.454 325 HB3 GLN 43 HB3 GLN 43 -5.160 4.993 -8.714 326 HG2 GLN 43 HG2 GLN 43 -3.519 6.808 -8.503 327 HG3 GLN 43 HG3 GLN 43 -2.243 5.634 -8.187 328 HE21 GLN 43 HE21 GLN 43 -1.000 6.187 -9.924 329 HE22 GLN 43 HE22 GLN 43 -1.476 5.928 -11.560 330 H THR 44 H THR 44 -7.018 4.717 -7.138 331 HA THR 44 HA THR 44 -7.536 2.651 -5.138 332 HB THR 44 HB THR 44 -9.597 3.979 -6.906 333 HG1 THR 44 HG1 THR 44 -8.185 5.525 -5.733 334 HG21 THR 44 HG21 THR 44 -10.405 2.066 -5.562 335 HG22 THR 44 HG22 THR 44 -11.108 3.577 -4.987 336 HG23 THR 44 HG23 THR 44 -9.782 2.836 -4.095 337 H SER 45 H SER 45 -7.671 0.580 -5.688 338 HA SER 45 HA SER 45 -7.662 -0.298 -8.478 339 HB2 SER 45 HB2 SER 45 -7.396 -1.932 -5.912 340 HB3 SER 45 HB3 SER 45 -7.099 -2.517 -7.555 341 HG SER 45 HG SER 45 -5.167 -1.930 -6.539 342 H ARG 46 H ARG 46 -9.041 -2.109 -9.145 343 HA ARG 46 HA ARG 46 -11.800 -1.584 -8.852 344 HB2 ARG 46 HB2 ARG 46 -10.459 -4.126 -9.862 345 HB3 ARG 46 HB3 ARG 46 -12.129 -3.651 -10.168 346 HG2 ARG 46 HG2 ARG 46 -11.467 -1.858 -11.598 347 HG3 ARG 46 HG3 ARG 46 -9.779 -1.977 -11.092 348 HD2 ARG 46 HD2 ARG 46 -11.267 -4.158 -12.603 349 HD3 ARG 46 HD3 ARG 46 -10.227 -2.952 -13.364 350 HE ARG 46 HE ARG 46 -8.332 -3.912 -12.284 351 HH11 ARG 46 HH11 ARG 46 -11.216 -5.864 -11.791 352 HH12 ARG 46 HH12 ARG 46 -10.328 -7.291 -11.373 353 HH21 ARG 46 HH21 ARG 46 -7.182 -5.803 -11.739 354 HH22 ARG 46 HH22 ARG 46 -8.048 -7.253 -11.343 355 H GLU 47 H GLU 47 -9.621 -3.789 -7.196 356 HA GLU 47 HA GLU 47 -11.598 -5.452 -5.988 357 HB2 GLU 47 HB2 GLU 47 -8.759 -4.911 -5.034 358 HB3 GLU 47 HB3 GLU 47 -9.782 -6.250 -4.544 359 HG2 GLU 47 HG2 GLU 47 -8.334 -5.818 -7.126 360 HG3 GLU 47 HG3 GLU 47 -8.307 -7.202 -6.045 361 HA PRO 48 HA PRO 48 -13.114 -2.771 -2.809 362 HB2 PRO 48 HB2 PRO 48 -13.614 -5.120 -1.055 363 HB3 PRO 48 HB3 PRO 48 -14.782 -4.061 -1.865 364 HG2 PRO 48 HG2 PRO 48 -14.404 -6.619 -2.643 365 HG3 PRO 48 HG3 PRO 48 -14.815 -5.330 -3.799 366 HD2 PRO 48 HD2 PRO 48 -12.103 -6.546 -3.232 367 HD3 PRO 48 HD3 PRO 48 -12.846 -6.131 -4.792 368 H GLY 49 H GLY 49 -11.639 -1.536 -1.804 369 HA2 GLY 49 HA2 GLY 49 -10.361 -0.763 -0.057 370 HA3 GLY 49 HA3 GLY 49 -10.569 -2.306 0.756 371 H TRP 50 H TRP 50 -9.319 -2.293 -2.475 372 HA TRP 50 HA TRP 50 -6.536 -2.605 -1.499 373 HB2 TRP 50 HB2 TRP 50 -7.873 -3.814 -3.958 374 HB3 TRP 50 HB3 TRP 50 -6.134 -3.857 -3.673 375 HD1 TRP 50 HD1 TRP 50 -9.393 -5.472 -2.479 376 HE1 TRP 50 HE1 TRP 50 -8.824 -7.505 -1.016 377 HE3 TRP 50 HE3 TRP 50 -4.357 -4.793 -2.069 378 HZ2 TRP 50 HZ2 TRP 50 -6.560 -8.651 0.180 379 HZ3 TRP 50 HZ3 TRP 50 -3.057 -6.389 -0.721 380 HH2 TRP 50 HH2 TRP 50 -4.140 -8.278 0.387 381 H LEU 51 H LEU 51 -4.941 -1.511 -2.546 382 HA LEU 51 HA LEU 51 -5.653 0.589 -4.514 383 HB2 LEU 51 HB2 LEU 51 -3.717 0.904 -2.178 384 HB3 LEU 51 HB3 LEU 51 -4.205 2.158 -3.309 385 HG LEU 51 HG LEU 51 -6.049 0.852 -1.262 386 HD11 LEU 51 HD11 LEU 51 -5.913 2.942 -0.010 387 HD12 LEU 51 HD12 LEU 51 -4.722 3.569 -1.154 388 HD13 LEU 51 HD13 LEU 51 -4.337 2.168 -0.150 389 HD21 LEU 51 HD21 LEU 51 -7.633 2.644 -1.784 390 HD22 LEU 51 HD22 LEU 51 -7.288 1.671 -3.211 391 HD23 LEU 51 HD23 LEU 51 -6.551 3.266 -3.037 392 H GLU 52 H GLU 52 -3.840 1.119 -5.982 393 HA GLU 52 HA GLU 52 -1.541 -0.761 -5.869 394 HB2 GLU 52 HB2 GLU 52 -2.639 0.917 -8.152 395 HB3 GLU 52 HB3 GLU 52 -1.051 0.150 -8.232 396 HG2 GLU 52 HG2 GLU 52 -2.022 -2.048 -8.081 397 HG3 GLU 52 HG3 GLU 52 -3.627 -1.380 -7.760 398 H GLY 53 H GLY 53 0.319 -0.002 -5.187 399 HA2 GLY 53 HA2 GLY 53 0.922 2.899 -5.221 400 HA3 GLY 53 HA3 GLY 53 0.991 2.011 -3.698 401 H THR 54 H THR 54 3.180 3.304 -5.043 402 HA THR 54 HA THR 54 4.875 1.086 -5.954 403 HB THR 54 HB THR 54 5.434 4.086 -6.084 404 HG1 THR 54 HG1 THR 54 3.583 2.791 -7.392 405 HG21 THR 54 HG21 THR 54 7.056 3.429 -7.863 406 HG22 THR 54 HG22 THR 54 6.681 1.731 -7.570 407 HG23 THR 54 HG23 THR 54 7.470 2.683 -6.312 408 H LEU 55 H LEU 55 6.204 0.225 -4.465 409 HA LEU 55 HA LEU 55 7.211 1.865 -2.207 410 HB2 LEU 55 HB2 LEU 55 5.886 -0.118 -1.483 411 HB3 LEU 55 HB3 LEU 55 6.957 -1.166 -2.396 412 HG LEU 55 HG LEU 55 8.869 -0.561 -0.900 413 HD11 LEU 55 HD11 LEU 55 8.235 1.703 -0.284 414 HD12 LEU 55 HD12 LEU 55 8.497 0.734 1.163 415 HD13 LEU 55 HD13 LEU 55 6.852 1.107 0.638 416 HD21 LEU 55 HD21 LEU 55 6.425 -1.525 0.624 417 HD22 LEU 55 HD22 LEU 55 8.111 -1.760 1.105 418 HD23 LEU 55 HD23 LEU 55 7.497 -2.523 -0.361 419 H ASN 56 H ASN 56 9.168 2.551 -2.616 420 HA ASN 56 HA ASN 56 11.292 2.793 -3.172 421 HB2 ASN 56 HB2 ASN 56 11.444 -0.187 -3.688 422 HB3 ASN 56 HB3 ASN 56 12.820 0.898 -3.518 423 HD21 ASN 56 HD21 ASN 56 13.047 1.973 -1.416 424 HD22 ASN 56 HD22 ASN 56 12.557 1.130 0.002 425 H GLY 57 H GLY 57 10.214 0.270 -5.439 426 HA2 GLY 57 HA2 GLY 57 9.672 2.144 -7.564 427 HA3 GLY 57 HA3 GLY 57 11.128 1.192 -7.846 428 H LYS 58 H LYS 58 8.310 -0.053 -6.092 429 HA LYS 58 HA LYS 58 7.742 -1.935 -8.335 430 HB2 LYS 58 HB2 LYS 58 9.130 -2.967 -6.499 431 HB3 LYS 58 HB3 LYS 58 7.840 -2.594 -5.367 432 HG2 LYS 58 HG2 LYS 58 6.316 -4.106 -6.569 433 HG3 LYS 58 HG3 LYS 58 7.587 -4.464 -7.742 434 HD2 LYS 58 HD2 LYS 58 8.964 -5.483 -5.966 435 HD3 LYS 58 HD3 LYS 58 7.744 -5.069 -4.760 436 HE2 LYS 58 HE2 LYS 58 6.136 -6.570 -5.873 437 HE3 LYS 58 HE3 LYS 58 7.352 -6.979 -7.086 438 HZ1 LYS 58 HZ1 LYS 58 7.169 -8.644 -5.326 439 HZ2 LYS 58 HZ2 LYS 58 7.611 -7.485 -4.175 440 HZ3 LYS 58 HZ3 LYS 58 8.709 -7.949 -5.374 441 H ARG 59 H ARG 59 5.619 -1.955 -8.884 442 HA ARG 59 HA ARG 59 3.605 -0.639 -7.165 443 HB2 ARG 59 HB2 ARG 59 3.812 0.085 -9.564 444 HB3 ARG 59 HB3 ARG 59 3.385 -1.543 -10.070 445 HG2 ARG 59 HG2 ARG 59 1.173 -1.247 -8.884 446 HG3 ARG 59 HG3 ARG 59 1.616 0.435 -8.593 447 HD2 ARG 59 HD2 ARG 59 0.162 0.323 -10.533 448 HD3 ARG 59 HD3 ARG 59 1.790 0.762 -11.070 449 HE ARG 59 HE ARG 59 1.353 -2.068 -11.168 450 HH11 ARG 59 HH11 ARG 59 0.707 0.891 -12.953 451 HH12 ARG 59 HH12 ARG 59 0.568 0.084 -14.478 452 HH21 ARG 59 HH21 ARG 59 1.168 -3.106 -13.193 453 HH22 ARG 59 HH22 ARG 59 0.828 -2.173 -14.612 454 H GLY 60 H GLY 60 1.790 -1.764 -6.414 455 HA2 GLY 60 HA2 GLY 60 0.737 -4.145 -7.499 456 HA3 GLY 60 HA3 GLY 60 1.777 -4.577 -6.139 457 H LEU 61 H LEU 61 -0.475 -5.400 -5.538 458 HA LEU 61 HA LEU 61 -2.455 -3.526 -4.675 459 HB2 LEU 61 HB2 LEU 61 -2.164 -6.526 -4.307 460 HB3 LEU 61 HB3 LEU 61 -3.485 -5.615 -3.597 461 HG LEU 61 HG LEU 61 -2.944 -5.954 -6.555 462 HD11 LEU 61 HD11 LEU 61 -5.217 -6.982 -4.842 463 HD12 LEU 61 HD12 LEU 61 -3.867 -7.940 -5.451 464 HD13 LEU 61 HD13 LEU 61 -5.019 -7.230 -6.582 465 HD21 LEU 61 HD21 LEU 61 -3.826 -3.705 -6.164 466 HD22 LEU 61 HD22 LEU 61 -5.150 -4.362 -5.200 467 HD23 LEU 61 HD23 LEU 61 -5.053 -4.713 -6.928 468 H ILE 62 H ILE 62 -2.591 -2.574 -2.844 469 HA ILE 62 HA ILE 62 -1.104 -3.417 -0.450 470 HB ILE 62 HB ILE 62 -1.892 -0.594 -1.334 471 HG12 ILE 62 HG12 ILE 62 0.893 -1.842 -1.167 472 HG13 ILE 62 HG13 ILE 62 0.025 -1.471 -2.653 473 HG21 ILE 62 HG21 ILE 62 -1.994 -0.848 1.122 474 HG22 ILE 62 HG22 ILE 62 -0.683 0.230 0.642 475 HG23 ILE 62 HG23 ILE 62 -0.326 -1.425 1.130 476 HD11 ILE 62 HD11 ILE 62 1.020 0.522 -0.623 477 HD12 ILE 62 HD12 ILE 62 0.086 0.911 -2.071 478 HD13 ILE 62 HD13 ILE 62 1.691 0.200 -2.224 479 HA PRO 63 HA PRO 63 -5.364 -3.565 1.247 480 HB2 PRO 63 HB2 PRO 63 -3.992 -3.867 3.886 481 HB3 PRO 63 HB3 PRO 63 -5.132 -4.970 3.088 482 HG2 PRO 63 HG2 PRO 63 -2.523 -5.583 3.321 483 HG3 PRO 63 HG3 PRO 63 -3.486 -6.071 1.906 484 HD2 PRO 63 HD2 PRO 63 -1.535 -3.784 2.152 485 HD3 PRO 63 HD3 PRO 63 -1.769 -4.930 0.811 486 H GLN 64 H GLN 64 -6.395 -1.682 1.490 487 HA GLN 64 HA GLN 64 -5.189 0.813 1.843 488 HB2 GLN 64 HB2 GLN 64 -7.326 0.482 0.669 489 HB3 GLN 64 HB3 GLN 64 -8.118 0.039 2.179 490 HG2 GLN 64 HG2 GLN 64 -7.785 2.312 3.047 491 HG3 GLN 64 HG3 GLN 64 -6.905 2.757 1.588 492 HE21 GLN 64 HE21 GLN 64 -8.329 4.395 1.015 493 HE22 GLN 64 HE22 GLN 64 -9.941 4.092 0.474 494 H ASN 65 H ASN 65 -6.875 -1.247 4.145 495 HA ASN 65 HA ASN 65 -7.010 0.483 6.380 496 HB2 ASN 65 HB2 ASN 65 -8.452 -1.459 6.203 497 HB3 ASN 65 HB3 ASN 65 -7.079 -2.552 6.102 498 HD21 ASN 65 HD21 ASN 65 -5.955 -3.074 8.016 499 HD22 ASN 65 HD22 ASN 65 -6.646 -2.790 9.573 500 H TYR 66 H TYR 66 -4.429 -1.537 5.128 501 HA TYR 66 HA TYR 66 -2.805 -1.523 7.525 502 HB2 TYR 66 HB2 TYR 66 -2.358 -2.502 4.697 503 HB3 TYR 66 HB3 TYR 66 -1.003 -2.386 5.813 504 HD1 TYR 66 HD2 TYR 66 -4.082 -3.275 7.509 505 HD2 TYR 66 HD1 TYR 66 -0.827 -4.875 5.234 506 HE1 TYR 66 HE2 TYR 66 -4.550 -5.514 8.388 507 HE2 TYR 66 HE1 TYR 66 -1.297 -7.108 6.128 508 HH TYR 66 HH TYR 66 -2.376 -8.148 7.997 509 H VAL 67 H VAL 67 -3.364 0.756 5.080 510 HA VAL 67 HA VAL 67 -0.901 2.245 5.804 511 HB VAL 67 HB VAL 67 -0.831 3.205 3.514 512 HG11 VAL 67 HG11 VAL 67 0.590 1.286 4.049 513 HG12 VAL 67 HG12 VAL 67 0.083 1.233 2.361 514 HG13 VAL 67 HG13 VAL 67 -0.685 0.172 3.545 515 HG21 VAL 67 HG21 VAL 67 -3.021 1.198 2.813 516 HG22 VAL 67 HG22 VAL 67 -2.154 2.222 1.661 517 HG23 VAL 67 HG23 VAL 67 -3.204 2.954 2.874 518 H LYS 68 H LYS 68 -1.079 4.541 5.349 519 HA LYS 68 HA LYS 68 -3.776 5.691 5.705 520 HB2 LYS 68 HB2 LYS 68 -1.601 5.740 7.576 521 HB3 LYS 68 HB3 LYS 68 -1.621 7.337 6.861 522 HG2 LYS 68 HG2 LYS 68 -2.920 7.318 8.901 523 HG3 LYS 68 HG3 LYS 68 -3.983 7.595 7.516 524 HD2 LYS 68 HD2 LYS 68 -4.689 5.217 7.572 525 HD3 LYS 68 HD3 LYS 68 -3.596 4.921 8.930 526 HE2 LYS 68 HE2 LYS 68 -4.897 6.545 10.294 527 HE3 LYS 68 HE3 LYS 68 -6.006 6.765 8.937 528 HZ1 LYS 68 HZ1 LYS 68 -6.775 5.174 10.643 529 HZ2 LYS 68 HZ2 LYS 68 -5.486 4.156 10.235 530 HZ3 LYS 68 HZ3 LYS 68 -6.675 4.511 9.090 531 H LEU 69 H LEU 69 -4.245 6.833 3.881 532 HA LEU 69 HA LEU 69 -2.326 7.321 1.842 533 HB2 LEU 69 HB2 LEU 69 -5.207 8.236 2.198 534 HB3 LEU 69 HB3 LEU 69 -4.270 8.590 0.756 535 HG LEU 69 HG LEU 69 -4.993 5.800 1.733 536 HD11 LEU 69 HD11 LEU 69 -6.502 5.705 -0.192 537 HD12 LEU 69 HD12 LEU 69 -6.103 7.372 -0.612 538 HD13 LEU 69 HD13 LEU 69 -6.949 7.019 0.896 539 HD21 LEU 69 HD21 LEU 69 -3.516 6.702 -0.761 540 HD22 LEU 69 HD22 LEU 69 -4.085 5.061 -0.453 541 HD23 LEU 69 HD23 LEU 69 -2.855 5.769 0.586 542 H LEU 70 H LEU 70 -0.804 8.823 2.056 543 HA LEU 70 HA LEU 70 -1.180 11.289 3.556 544 HB2 LEU 70 HB2 LEU 70 1.235 10.350 1.961 545 HB3 LEU 70 HB3 LEU 70 1.202 11.669 3.119 546 HG LEU 70 HG LEU 70 0.921 8.704 3.732 547 HD11 LEU 70 HD11 LEU 70 3.041 8.958 4.938 548 HD12 LEU 70 HD12 LEU 70 3.149 10.640 4.411 549 HD13 LEU 70 HD13 LEU 70 3.205 9.333 3.224 550 HD21 LEU 70 HD21 LEU 70 -0.534 9.943 5.232 551 HD22 LEU 70 HD22 LEU 70 0.781 11.039 5.665 552 HD23 LEU 70 HD23 LEU 70 0.862 9.333 6.115 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -26.387 11.478 -16.954 2 H2 MET 1 H2 MET 1 -26.330 11.768 -15.292 3 H3 MET 1 H3 MET 1 -27.796 11.380 -16.035 4 HA MET 1 HA MET 1 -26.970 9.503 -14.837 5 HB2 MET 1 HB2 MET 1 -28.206 9.204 -17.029 6 HB3 MET 1 HB3 MET 1 -26.655 9.106 -17.851 7 HG2 MET 1 HG2 MET 1 -27.572 7.158 -15.714 8 HG3 MET 1 HG3 MET 1 -27.770 6.892 -17.443 9 HE1 MET 1 HE1 MET 1 -24.962 7.979 -18.636 10 HE2 MET 1 HE2 MET 1 -25.726 6.464 -19.125 11 HE3 MET 1 HE3 MET 1 -24.037 6.471 -18.628 12 H GLY 2 H GLY 2 -25.176 8.492 -14.045 13 HA2 GLY 2 HA2 GLY 2 -22.976 7.657 -14.054 14 HA3 GLY 2 HA3 GLY 2 -22.540 8.753 -15.361 15 H HIS 3 H HIS 3 -21.400 10.523 -14.760 16 HA HIS 3 HA HIS 3 -21.670 11.652 -12.046 17 HB2 HIS 3 HB2 HIS 3 -19.015 10.857 -13.346 18 HB3 HIS 3 HB3 HIS 3 -19.154 11.815 -11.880 19 HD1 HIS 3 HD1 HIS 3 -19.061 10.524 -9.766 20 HD2 HIS 3 HD2 HIS 3 -20.028 8.099 -12.983 21 HE1 HIS 3 HE1 HIS 3 -19.084 8.196 -8.860 22 HE2 HIS 3 HE2 HIS 3 -19.856 6.773 -10.793 23 H HIS 4 H HIS 4 -22.011 13.801 -12.257 24 HA HIS 4 HA HIS 4 -21.510 15.311 -14.659 25 HB2 HIS 4 HB2 HIS 4 -22.237 16.227 -11.831 26 HB3 HIS 4 HB3 HIS 4 -22.082 17.326 -13.197 27 HD1 HIS 4 HD1 HIS 4 -24.209 17.841 -14.326 28 HD2 HIS 4 HD2 HIS 4 -24.351 14.149 -12.425 29 HE1 HIS 4 HE1 HIS 4 -26.555 17.012 -14.630 30 HE2 HIS 4 HE2 HIS 4 -26.653 14.862 -13.336 31 H HIS 5 H HIS 5 -20.023 15.123 -11.470 32 HA HIS 5 HA HIS 5 -17.679 16.679 -12.097 33 HB2 HIS 5 HB2 HIS 5 -18.344 14.849 -9.739 34 HB3 HIS 5 HB3 HIS 5 -16.891 15.844 -9.842 35 HD1 HIS 5 HD1 HIS 5 -20.489 15.975 -9.000 36 HD2 HIS 5 HD2 HIS 5 -17.363 18.639 -9.582 37 HE1 HIS 5 HE1 HIS 5 -21.267 18.156 -8.048 38 HE2 HIS 5 HE2 HIS 5 -19.316 19.726 -8.315 39 H HIS 6 H HIS 6 -15.949 15.910 -13.152 40 HA HIS 6 HA HIS 6 -15.630 13.179 -13.957 41 HB2 HIS 6 HB2 HIS 6 -13.600 15.475 -13.984 42 HB3 HIS 6 HB3 HIS 6 -13.372 13.916 -14.776 43 HD1 HIS 6 HD1 HIS 6 -13.483 14.417 -17.194 44 HD2 HIS 6 HD2 HIS 6 -16.454 16.409 -15.105 45 HE1 HIS 6 HE1 HIS 6 -14.836 15.607 -18.922 46 HE2 HIS 6 HE2 HIS 6 -16.717 16.671 -17.649 47 H HIS 7 H HIS 7 -13.913 11.730 -13.272 48 HA HIS 7 HA HIS 7 -13.753 11.356 -10.513 49 HB2 HIS 7 HB2 HIS 7 -13.437 9.567 -12.226 50 HB3 HIS 7 HB3 HIS 7 -11.855 10.241 -12.625 51 HD1 HIS 7 HD1 HIS 7 -10.125 8.745 -11.609 52 HD2 HIS 7 HD2 HIS 7 -13.407 9.197 -9.123 53 HE1 HIS 7 HE1 HIS 7 -9.574 7.467 -9.529 54 HE2 HIS 7 HE2 HIS 7 -11.513 7.890 -7.990 55 H HIS 8 H HIS 8 -11.138 12.384 -12.712 56 HA HIS 8 HA HIS 8 -9.995 14.093 -10.570 57 HB2 HIS 8 HB2 HIS 8 -8.575 12.963 -13.033 58 HB3 HIS 8 HB3 HIS 8 -7.845 13.992 -11.801 59 HD1 HIS 8 HD1 HIS 8 -7.258 10.869 -12.691 60 HD2 HIS 8 HD2 HIS 8 -8.832 12.327 -9.158 61 HE1 HIS 8 HE1 HIS 8 -6.822 9.095 -10.984 62 HE2 HIS 8 HE2 HIS 8 -7.600 10.106 -8.823 63 H SER 9 H SER 9 -11.248 15.888 -10.914 64 HA SER 9 HA SER 9 -11.861 16.898 -13.581 65 HB2 SER 9 HB2 SER 9 -12.491 18.008 -10.809 66 HB3 SER 9 HB3 SER 9 -13.120 18.659 -12.325 67 HG SER 9 HG SER 9 -13.454 15.937 -11.856 68 H HIS 10 H HIS 10 -9.319 16.945 -13.818 69 HA HIS 10 HA HIS 10 -7.334 17.970 -14.029 70 HB2 HIS 10 HB2 HIS 10 -8.840 20.548 -13.390 71 HB3 HIS 10 HB3 HIS 10 -7.182 20.478 -13.977 72 HD1 HIS 10 HD1 HIS 10 -6.987 20.795 -16.423 73 HD2 HIS 10 HD2 HIS 10 -10.724 19.280 -15.407 74 HE1 HIS 10 HE1 HIS 10 -8.297 20.728 -18.559 75 HE2 HIS 10 HE2 HIS 10 -10.589 19.944 -17.895 76 H MET 11 H MET 11 -5.538 18.298 -12.751 77 HA MET 11 HA MET 11 -4.205 18.256 -10.931 78 HB2 MET 11 HB2 MET 11 -6.494 19.530 -9.371 79 HB3 MET 11 HB3 MET 11 -4.831 19.385 -8.805 80 HG2 MET 11 HG2 MET 11 -4.092 20.913 -10.573 81 HG3 MET 11 HG3 MET 11 -5.746 21.006 -11.194 82 HE1 MET 11 HE1 MET 11 -5.398 24.565 -9.624 83 HE2 MET 11 HE2 MET 11 -5.840 23.646 -11.061 84 HE3 MET 11 HE3 MET 11 -4.163 23.672 -10.513 85 H ILE 12 H ILE 12 -4.198 17.386 -8.508 86 HA ILE 12 HA ILE 12 -4.251 15.582 -7.170 87 HB ILE 12 HB ILE 12 -7.081 15.101 -8.213 88 HG12 ILE 12 HG12 ILE 12 -6.221 16.665 -5.721 89 HG13 ILE 12 HG13 ILE 12 -6.752 17.398 -7.231 90 HG21 ILE 12 HG21 ILE 12 -6.191 13.118 -7.056 91 HG22 ILE 12 HG22 ILE 12 -7.473 13.860 -6.103 92 HG23 ILE 12 HG23 ILE 12 -5.785 14.099 -5.642 93 HD11 ILE 12 HD11 ILE 12 -8.967 16.374 -6.936 94 HD12 ILE 12 HD12 ILE 12 -8.529 17.429 -5.594 95 HD13 ILE 12 HD13 ILE 12 -8.433 15.679 -5.401 96 H ARG 13 H ARG 13 -2.602 14.584 -8.278 97 HA ARG 13 HA ARG 13 -3.138 12.066 -9.620 98 HB2 ARG 13 HB2 ARG 13 -1.901 12.624 -11.702 99 HB3 ARG 13 HB3 ARG 13 -3.360 13.593 -11.522 100 HG2 ARG 13 HG2 ARG 13 -1.904 15.485 -10.659 101 HG3 ARG 13 HG3 ARG 13 -0.490 14.505 -11.070 102 HD2 ARG 13 HD2 ARG 13 -2.611 15.503 -13.019 103 HD3 ARG 13 HD3 ARG 13 -0.978 16.142 -12.842 104 HE ARG 13 HE ARG 13 -0.111 14.043 -13.693 105 HH11 ARG 13 HH11 ARG 13 -3.548 14.538 -14.213 106 HH12 ARG 13 HH12 ARG 13 -3.643 13.419 -15.531 107 HH21 ARG 13 HH21 ARG 13 -0.247 12.559 -15.440 108 HH22 ARG 13 HH22 ARG 13 -1.769 12.302 -16.226 109 H SER 14 H SER 14 -1.643 13.405 -7.306 110 HA SER 14 HA SER 14 0.769 11.737 -7.479 111 HB2 SER 14 HB2 SER 14 1.558 13.989 -8.087 112 HB3 SER 14 HB3 SER 14 0.769 14.687 -6.676 113 HG SER 14 HG SER 14 2.819 12.725 -6.561 114 H ARG 15 H ARG 15 0.193 10.300 -5.899 115 HA ARG 15 HA ARG 15 -1.072 11.287 -3.400 116 HB2 ARG 15 HB2 ARG 15 -2.384 9.671 -4.858 117 HB3 ARG 15 HB3 ARG 15 -1.136 8.477 -4.566 118 HG2 ARG 15 HG2 ARG 15 -2.512 7.796 -2.858 119 HG3 ARG 15 HG3 ARG 15 -1.759 9.117 -1.965 120 HD2 ARG 15 HD2 ARG 15 -4.248 9.110 -1.795 121 HD3 ARG 15 HD3 ARG 15 -3.616 10.600 -2.517 122 HE ARG 15 HE ARG 15 -4.281 8.565 -4.454 123 HH11 ARG 15 HH11 ARG 15 -5.661 11.209 -2.600 124 HH12 ARG 15 HH12 ARG 15 -6.955 11.451 -3.727 125 HH21 ARG 15 HH21 ARG 15 -5.912 8.944 -5.909 126 HH22 ARG 15 HH22 ARG 15 -7.087 10.174 -5.605 127 H LYS 16 H LYS 16 -0.276 10.529 -1.435 128 HA LYS 16 HA LYS 16 2.042 8.674 -1.460 129 HB2 LYS 16 HB2 LYS 16 1.568 10.999 0.456 130 HB3 LYS 16 HB3 LYS 16 2.918 9.859 0.533 131 HG2 LYS 16 HG2 LYS 16 3.713 10.663 -1.664 132 HG3 LYS 16 HG3 LYS 16 2.360 11.798 -1.737 133 HD2 LYS 16 HD2 LYS 16 4.372 12.976 -1.022 134 HD3 LYS 16 HD3 LYS 16 3.205 12.933 0.305 135 HE2 LYS 16 HE2 LYS 16 5.489 12.482 1.107 136 HE3 LYS 16 HE3 LYS 16 4.463 11.066 1.343 137 HZ1 LYS 16 HZ1 LYS 16 6.621 10.476 0.445 138 HZ2 LYS 16 HZ2 LYS 16 6.366 11.471 -0.900 139 HZ3 LYS 16 HZ3 LYS 16 5.395 10.104 -0.665 140 H ALA 17 H ALA 17 2.235 7.434 0.513 141 HA ALA 17 HA ALA 17 0.007 7.289 2.389 142 HB1 ALA 17 HB1 ALA 17 -0.351 4.858 2.098 143 HB2 ALA 17 HB2 ALA 17 0.789 4.847 0.747 144 HB3 ALA 17 HB3 ALA 17 -0.728 5.733 0.607 145 H ARG 18 H ARG 18 0.586 6.062 4.265 146 HA ARG 18 HA ARG 18 3.403 5.272 4.561 147 HB2 ARG 18 HB2 ARG 18 3.088 7.542 5.584 148 HB3 ARG 18 HB3 ARG 18 1.823 6.887 6.620 149 HG2 ARG 18 HG2 ARG 18 3.436 5.442 7.756 150 HG3 ARG 18 HG3 ARG 18 4.714 5.943 6.644 151 HD2 ARG 18 HD2 ARG 18 4.589 8.244 7.521 152 HD3 ARG 18 HD3 ARG 18 3.267 7.768 8.599 153 HE ARG 18 HE ARG 18 5.897 6.445 8.794 154 HH11 ARG 18 HH11 ARG 18 3.431 8.434 10.327 155 HH12 ARG 18 HH12 ARG 18 4.153 8.315 11.901 156 HH21 ARG 18 HH21 ARG 18 6.802 6.278 10.878 157 HH22 ARG 18 HH22 ARG 18 6.051 7.097 12.213 158 H ALA 19 H ALA 19 3.492 3.267 5.196 159 HA ALA 19 HA ALA 19 1.285 1.620 5.788 160 HB1 ALA 19 HB1 ALA 19 4.251 1.115 6.248 161 HB2 ALA 19 HB2 ALA 19 3.352 0.754 4.772 162 HB3 ALA 19 HB3 ALA 19 2.984 -0.116 6.264 163 H VAL 20 H VAL 20 0.177 1.679 7.626 164 HA VAL 20 HA VAL 20 1.391 2.562 10.160 165 HB VAL 20 HB VAL 20 -1.035 2.583 10.981 166 HG11 VAL 20 HG11 VAL 20 0.103 4.651 10.289 167 HG12 VAL 20 HG12 VAL 20 -1.601 4.709 9.838 168 HG13 VAL 20 HG13 VAL 20 -0.374 4.381 8.610 169 HG21 VAL 20 HG21 VAL 20 -2.037 1.033 9.330 170 HG22 VAL 20 HG22 VAL 20 -1.679 2.164 8.024 171 HG23 VAL 20 HG23 VAL 20 -2.848 2.603 9.273 172 H TYR 21 H TYR 21 0.414 -0.296 8.518 173 HA TYR 21 HA TYR 21 1.127 -1.915 10.868 174 HB2 TYR 21 HB2 TYR 21 -1.166 -2.585 8.957 175 HB3 TYR 21 HB3 TYR 21 -0.614 -3.589 10.290 176 HD1 TYR 21 HD2 TYR 21 -0.670 -2.392 12.695 177 HD2 TYR 21 HD1 TYR 21 -3.024 -1.198 9.332 178 HE1 TYR 21 HE2 TYR 21 -2.248 -1.251 14.188 179 HE2 TYR 21 HE1 TYR 21 -4.595 -0.059 10.826 180 HH TYR 21 HH TYR 21 -3.871 0.616 14.056 181 HA PRO 22 HA PRO 22 3.737 -3.828 7.742 182 HB2 PRO 22 HB2 PRO 22 4.444 -6.161 8.968 183 HB3 PRO 22 HB3 PRO 22 5.032 -4.589 9.556 184 HG2 PRO 22 HG2 PRO 22 2.779 -6.278 10.619 185 HG3 PRO 22 HG3 PRO 22 4.035 -5.389 11.510 186 HD2 PRO 22 HD2 PRO 22 1.478 -4.421 11.130 187 HD3 PRO 22 HD3 PRO 22 2.890 -3.374 11.381 188 H CYS 23 H CYS 23 3.595 -5.358 6.089 189 HA CYS 23 HA CYS 23 1.295 -7.204 5.997 190 HB2 CYS 23 HB2 CYS 23 0.658 -5.179 4.763 191 HB3 CYS 23 HB3 CYS 23 2.153 -5.234 3.837 192 HG CYS 23 HG CYS 23 0.818 -6.238 1.895 193 H GLU 24 H GLU 24 1.601 -9.015 4.740 194 HA GLU 24 HA GLU 24 4.212 -9.423 3.404 195 HB2 GLU 24 HB2 GLU 24 2.536 -11.479 4.921 196 HB3 GLU 24 HB3 GLU 24 3.969 -11.865 3.958 197 HG2 GLU 24 HG2 GLU 24 5.363 -10.516 5.454 198 HG3 GLU 24 HG3 GLU 24 3.943 -10.055 6.397 199 H ALA 25 H ALA 25 4.052 -9.977 1.327 200 HA ALA 25 HA ALA 25 1.678 -9.653 -0.133 201 HB1 ALA 25 HB1 ALA 25 3.886 -9.236 -1.108 202 HB2 ALA 25 HB2 ALA 25 2.999 -10.411 -2.081 203 HB3 ALA 25 HB3 ALA 25 4.288 -10.954 -1.000 204 H GLU 26 H GLU 26 -0.014 -10.997 0.070 205 HA GLU 26 HA GLU 26 0.115 -13.499 1.324 206 HB2 GLU 26 HB2 GLU 26 -2.187 -12.273 -0.251 207 HB3 GLU 26 HB3 GLU 26 -2.323 -13.659 0.835 208 HG2 GLU 26 HG2 GLU 26 -1.492 -12.154 2.703 209 HG3 GLU 26 HG3 GLU 26 -1.627 -10.801 1.581 210 H HIS 27 H HIS 27 -0.139 -12.686 -2.114 211 HA HIS 27 HA HIS 27 0.155 -15.573 -2.799 212 HB2 HIS 27 HB2 HIS 27 -1.627 -13.588 -4.280 213 HB3 HIS 27 HB3 HIS 27 -1.343 -15.261 -4.748 214 HD2 HIS 27 HD2 HIS 27 -2.464 -17.193 -2.915 215 HE1 HIS 27 HE1 HIS 27 -5.115 -14.361 -1.235 216 HE2 HIS 27 HE2 HIS 27 -4.390 -16.783 -1.230 217 H SER 28 H SER 28 0.168 -12.399 -4.557 218 HA SER 28 HA SER 28 2.887 -12.809 -5.474 219 HB2 SER 28 HB2 SER 28 1.530 -14.402 -6.884 220 HB3 SER 28 HB3 SER 28 0.618 -13.031 -7.494 221 HG SER 28 HG SER 28 3.017 -13.970 -8.268 222 H SER 29 H SER 29 -0.130 -11.142 -6.501 223 HA SER 29 HA SER 29 1.194 -8.889 -7.602 224 HB2 SER 29 HB2 SER 29 -1.719 -9.205 -6.779 225 HB3 SER 29 HB3 SER 29 -1.075 -7.926 -7.823 226 HG SER 29 HG SER 29 -0.197 -10.021 -8.957 227 H GLU 30 H GLU 30 0.307 -9.648 -4.414 228 HA GLU 30 HA GLU 30 -0.209 -7.086 -3.311 229 HB2 GLU 30 HB2 GLU 30 0.601 -9.709 -1.980 230 HB3 GLU 30 HB3 GLU 30 0.097 -8.282 -1.098 231 HG2 GLU 30 HG2 GLU 30 -1.732 -9.857 -1.194 232 HG3 GLU 30 HG3 GLU 30 -2.134 -8.417 -2.129 233 H LEU 31 H LEU 31 1.104 -5.939 -1.785 234 HA LEU 31 HA LEU 31 4.021 -6.208 -2.189 235 HB2 LEU 31 HB2 LEU 31 2.403 -3.811 -1.243 236 HB3 LEU 31 HB3 LEU 31 4.163 -3.865 -1.273 237 HG LEU 31 HG LEU 31 2.311 -3.983 -3.669 238 HD11 LEU 31 HD11 LEU 31 4.315 -1.858 -2.872 239 HD12 LEU 31 HD12 LEU 31 2.559 -1.734 -2.746 240 HD13 LEU 31 HD13 LEU 31 3.309 -1.863 -4.331 241 HD21 LEU 31 HD21 LEU 31 4.316 -4.002 -5.085 242 HD22 LEU 31 HD22 LEU 31 4.190 -5.453 -4.101 243 HD23 LEU 31 HD23 LEU 31 5.331 -4.183 -3.648 244 H SER 32 H SER 32 5.320 -6.590 -0.577 245 HA SER 32 HA SER 32 4.326 -6.983 2.173 246 HB2 SER 32 HB2 SER 32 6.529 -8.128 2.541 247 HB3 SER 32 HB3 SER 32 5.622 -8.864 1.222 248 HG SER 32 HG SER 32 7.265 -6.851 0.372 249 H PHE 33 H PHE 33 5.189 -5.780 3.895 250 HA PHE 33 HA PHE 33 7.222 -3.845 3.703 251 HB2 PHE 33 HB2 PHE 33 5.767 -1.761 3.867 252 HB3 PHE 33 HB3 PHE 33 5.794 -2.537 2.295 253 HD1 PHE 33 HD1 PHE 33 3.691 -2.037 5.342 254 HD2 PHE 33 HD2 PHE 33 3.751 -3.295 1.243 255 HE1 PHE 33 HE1 PHE 33 1.232 -1.961 5.272 256 HE2 PHE 33 HE2 PHE 33 1.293 -3.215 1.198 257 HZ PHE 33 HZ PHE 33 0.036 -2.539 3.206 258 H GLU 34 H GLU 34 6.895 -2.152 5.572 259 HA GLU 34 HA GLU 34 5.735 -3.355 8.000 260 HB2 GLU 34 HB2 GLU 34 8.617 -2.410 7.656 261 HB3 GLU 34 HB3 GLU 34 7.872 -2.679 9.231 262 HG2 GLU 34 HG2 GLU 34 7.628 -5.047 8.788 263 HG3 GLU 34 HG3 GLU 34 8.158 -4.833 7.112 264 H ILE 35 H ILE 35 5.948 -1.683 9.850 265 HA ILE 35 HA ILE 35 4.387 0.555 9.172 266 HB ILE 35 HB ILE 35 5.931 0.032 11.760 267 HG12 ILE 35 HG12 ILE 35 3.029 -0.552 11.010 268 HG13 ILE 35 HG13 ILE 35 4.301 -1.751 11.233 269 HG21 ILE 35 HG21 ILE 35 3.657 2.007 11.280 270 HG22 ILE 35 HG22 ILE 35 5.343 2.422 11.593 271 HG23 ILE 35 HG23 ILE 35 4.394 1.633 12.846 272 HD11 ILE 35 HD11 ILE 35 2.830 -1.711 13.141 273 HD12 ILE 35 HD12 ILE 35 3.107 0.013 13.380 274 HD13 ILE 35 HD13 ILE 35 4.427 -1.137 13.623 275 H GLY 36 H GLY 36 5.094 2.196 8.005 276 HA2 GLY 36 HA2 GLY 36 6.279 4.376 8.417 277 HA3 GLY 36 HA3 GLY 36 7.750 3.421 8.512 278 H ALA 37 H ALA 37 6.414 1.683 6.295 279 HA ALA 37 HA ALA 37 7.953 2.575 4.156 280 HB1 ALA 37 HB1 ALA 37 7.220 0.237 4.420 281 HB2 ALA 37 HB2 ALA 37 6.776 0.862 2.831 282 HB3 ALA 37 HB3 ALA 37 5.552 0.715 4.095 283 H ILE 38 H ILE 38 7.632 4.380 3.027 284 HA ILE 38 HA ILE 38 5.003 5.556 2.613 285 HB ILE 38 HB ILE 38 7.649 6.569 1.465 286 HG12 ILE 38 HG12 ILE 38 7.854 6.426 3.941 287 HG13 ILE 38 HG13 ILE 38 7.808 8.104 3.415 288 HG21 ILE 38 HG21 ILE 38 6.470 8.760 1.332 289 HG22 ILE 38 HG22 ILE 38 4.994 7.998 1.932 290 HG23 ILE 38 HG23 ILE 38 5.662 7.520 0.370 291 HD11 ILE 38 HD11 ILE 38 5.528 6.555 4.624 292 HD12 ILE 38 HD12 ILE 38 5.466 8.242 4.101 293 HD13 ILE 38 HD13 ILE 38 6.527 7.764 5.424 294 H PHE 39 H PHE 39 3.885 5.528 0.692 295 HA PHE 39 HA PHE 39 5.016 4.068 -1.634 296 HB2 PHE 39 HB2 PHE 39 2.073 4.141 -0.820 297 HB3 PHE 39 HB3 PHE 39 2.804 3.151 -2.080 298 HD1 PHE 39 HD1 PHE 39 4.152 1.159 -1.482 299 HD2 PHE 39 HD2 PHE 39 2.210 3.514 1.521 300 HE1 PHE 39 HE1 PHE 39 4.454 -0.638 0.157 301 HE2 PHE 39 HE2 PHE 39 2.537 1.711 3.132 302 HZ PHE 39 HZ PHE 39 3.648 -0.352 2.455 303 H GLU 40 H GLU 40 4.625 4.975 -3.640 304 HA GLU 40 HA GLU 40 3.554 7.724 -3.694 305 HB2 GLU 40 HB2 GLU 40 5.530 6.361 -5.579 306 HB3 GLU 40 HB3 GLU 40 4.990 8.036 -5.685 307 HG2 GLU 40 HG2 GLU 40 6.670 6.797 -3.481 308 HG3 GLU 40 HG3 GLU 40 7.208 7.946 -4.703 309 H ASP 41 H ASP 41 2.258 8.371 -5.321 310 HA ASP 41 HA ASP 41 0.459 8.350 -6.658 311 HB2 ASP 41 HB2 ASP 41 2.088 6.234 -8.110 312 HB3 ASP 41 HB3 ASP 41 0.727 7.094 -8.822 313 H VAL 42 H VAL 42 -0.102 6.984 -4.431 314 HA VAL 42 HA VAL 42 -1.104 4.339 -4.891 315 HB VAL 42 HB VAL 42 -1.858 6.144 -2.557 316 HG11 VAL 42 HG11 VAL 42 -3.239 4.106 -2.735 317 HG12 VAL 42 HG12 VAL 42 -2.180 4.008 -1.327 318 HG13 VAL 42 HG13 VAL 42 -1.785 3.102 -2.790 319 HG21 VAL 42 HG21 VAL 42 0.601 6.082 -2.771 320 HG22 VAL 42 HG22 VAL 42 0.562 4.315 -2.771 321 HG23 VAL 42 HG23 VAL 42 0.061 5.211 -1.337 322 H GLN 43 H GLN 43 -3.019 3.792 -5.730 323 HA GLN 43 HA GLN 43 -5.222 5.721 -5.988 324 HB2 GLN 43 HB2 GLN 43 -4.058 4.037 -8.252 325 HB3 GLN 43 HB3 GLN 43 -5.591 4.900 -8.353 326 HG2 GLN 43 HG2 GLN 43 -2.901 6.252 -7.909 327 HG3 GLN 43 HG3 GLN 43 -3.648 6.032 -9.489 328 HE21 GLN 43 HE21 GLN 43 -3.812 8.204 -9.922 329 HE22 GLN 43 HE22 GLN 43 -4.871 9.275 -9.085 330 H THR 44 H THR 44 -7.293 4.579 -6.475 331 HA THR 44 HA THR 44 -7.518 2.257 -4.772 332 HB THR 44 HB THR 44 -9.699 3.489 -6.496 333 HG1 THR 44 HG1 THR 44 -8.474 4.854 -4.810 334 HG21 THR 44 HG21 THR 44 -10.263 1.258 -5.576 335 HG22 THR 44 HG22 THR 44 -11.236 2.521 -4.820 336 HG23 THR 44 HG23 THR 44 -9.865 1.830 -3.950 337 H SER 45 H SER 45 -7.741 0.167 -5.426 338 HA SER 45 HA SER 45 -7.188 -0.516 -8.233 339 HB2 SER 45 HB2 SER 45 -5.776 -1.525 -6.398 340 HB3 SER 45 HB3 SER 45 -7.215 -2.323 -5.764 341 HG SER 45 HG SER 45 -6.466 -3.846 -7.068 342 H ARG 46 H ARG 46 -8.345 -2.463 -9.081 343 HA ARG 46 HA ARG 46 -11.189 -2.273 -8.936 344 HB2 ARG 46 HB2 ARG 46 -11.173 -4.268 -10.448 345 HB3 ARG 46 HB3 ARG 46 -10.131 -2.965 -11.020 346 HG2 ARG 46 HG2 ARG 46 -8.154 -4.172 -10.134 347 HG3 ARG 46 HG3 ARG 46 -9.203 -5.484 -9.596 348 HD2 ARG 46 HD2 ARG 46 -9.815 -5.978 -11.910 349 HD3 ARG 46 HD3 ARG 46 -8.861 -4.601 -12.481 350 HE ARG 46 HE ARG 46 -7.210 -6.294 -10.950 351 HH11 ARG 46 HH11 ARG 46 -8.851 -6.335 -14.052 352 HH12 ARG 46 HH12 ARG 46 -7.693 -7.395 -14.787 353 HH21 ARG 46 HH21 ARG 46 -5.662 -7.623 -11.952 354 HH22 ARG 46 HH22 ARG 46 -5.890 -8.124 -13.597 355 H GLU 47 H GLU 47 -8.771 -4.305 -7.354 356 HA GLU 47 HA GLU 47 -10.552 -6.167 -6.154 357 HB2 GLU 47 HB2 GLU 47 -7.728 -5.287 -5.462 358 HB3 GLU 47 HB3 GLU 47 -8.597 -6.418 -4.446 359 HG2 GLU 47 HG2 GLU 47 -7.112 -7.638 -5.878 360 HG3 GLU 47 HG3 GLU 47 -8.781 -7.988 -6.344 361 HA PRO 48 HA PRO 48 -12.509 -3.278 -3.328 362 HB2 PRO 48 HB2 PRO 48 -13.910 -5.035 -1.740 363 HB3 PRO 48 HB3 PRO 48 -14.351 -4.716 -3.434 364 HG2 PRO 48 HG2 PRO 48 -12.760 -7.011 -2.307 365 HG3 PRO 48 HG3 PRO 48 -14.080 -7.043 -3.501 366 HD2 PRO 48 HD2 PRO 48 -11.463 -7.154 -4.247 367 HD3 PRO 48 HD3 PRO 48 -12.693 -6.367 -5.260 368 H GLY 49 H GLY 49 -11.534 -2.174 -1.768 369 HA2 GLY 49 HA2 GLY 49 -10.618 -1.660 0.288 370 HA3 GLY 49 HA3 GLY 49 -10.569 -3.367 0.697 371 H TRP 50 H TRP 50 -9.170 -2.904 -2.332 372 HA TRP 50 HA TRP 50 -6.429 -2.834 -1.195 373 HB2 TRP 50 HB2 TRP 50 -7.441 -4.117 -3.784 374 HB3 TRP 50 HB3 TRP 50 -5.737 -3.987 -3.345 375 HD1 TRP 50 HD1 TRP 50 -8.949 -5.846 -2.273 376 HE1 TRP 50 HE1 TRP 50 -8.289 -7.841 -0.797 377 HE3 TRP 50 HE3 TRP 50 -3.925 -4.990 -1.932 378 HZ2 TRP 50 HZ2 TRP 50 -5.961 -8.924 0.354 379 HZ3 TRP 50 HZ3 TRP 50 -2.552 -6.549 -0.612 380 HH2 TRP 50 HH2 TRP 50 -3.552 -8.479 0.505 381 H LEU 51 H LEU 51 -5.040 -1.374 -1.899 382 HA LEU 51 HA LEU 51 -5.764 0.559 -4.031 383 HB2 LEU 51 HB2 LEU 51 -3.873 0.995 -1.666 384 HB3 LEU 51 HB3 LEU 51 -4.419 2.211 -2.816 385 HG LEU 51 HG LEU 51 -6.154 0.847 -0.709 386 HD11 LEU 51 HD11 LEU 51 -6.224 3.024 0.404 387 HD12 LEU 51 HD12 LEU 51 -5.094 3.683 -0.786 388 HD13 LEU 51 HD13 LEU 51 -4.582 2.395 0.309 389 HD21 LEU 51 HD21 LEU 51 -6.890 3.057 -2.655 390 HD22 LEU 51 HD22 LEU 51 -7.903 2.453 -1.339 391 HD23 LEU 51 HD23 LEU 51 -7.483 1.392 -2.680 392 H GLU 52 H GLU 52 -4.031 0.953 -5.578 393 HA GLU 52 HA GLU 52 -1.684 -0.835 -5.423 394 HB2 GLU 52 HB2 GLU 52 -2.781 0.829 -7.729 395 HB3 GLU 52 HB3 GLU 52 -1.309 -0.149 -7.814 396 HG2 GLU 52 HG2 GLU 52 -2.639 -2.185 -7.440 397 HG3 GLU 52 HG3 GLU 52 -4.113 -1.209 -7.337 398 H GLY 53 H GLY 53 0.346 0.023 -5.241 399 HA2 GLY 53 HA2 GLY 53 0.860 2.882 -5.549 400 HA3 GLY 53 HA3 GLY 53 0.959 2.276 -3.893 401 H THR 54 H THR 54 3.144 3.378 -5.098 402 HA THR 54 HA THR 54 4.820 1.190 -6.137 403 HB THR 54 HB THR 54 5.418 4.185 -6.224 404 HG1 THR 54 HG1 THR 54 3.487 3.945 -7.316 405 HG21 THR 54 HG21 THR 54 7.327 2.660 -6.719 406 HG22 THR 54 HG22 THR 54 6.836 3.569 -8.149 407 HG23 THR 54 HG23 THR 54 6.369 1.876 -7.978 408 H LEU 55 H LEU 55 6.308 0.360 -4.775 409 HA LEU 55 HA LEU 55 7.280 1.866 -2.419 410 HB2 LEU 55 HB2 LEU 55 5.759 -0.016 -1.809 411 HB3 LEU 55 HB3 LEU 55 6.799 -1.124 -2.682 412 HG LEU 55 HG LEU 55 8.654 -0.673 -1.053 413 HD11 LEU 55 HD11 LEU 55 8.216 0.560 1.035 414 HD12 LEU 55 HD12 LEU 55 6.629 1.036 0.423 415 HD13 LEU 55 HD13 LEU 55 8.096 1.597 -0.383 416 HD21 LEU 55 HD21 LEU 55 7.710 -1.903 0.850 417 HD22 LEU 55 HD22 LEU 55 7.175 -2.591 -0.680 418 HD23 LEU 55 HD23 LEU 55 6.071 -1.586 0.263 419 H ASN 56 H ASN 56 9.248 2.528 -3.061 420 HA ASN 56 HA ASN 56 11.403 2.611 -3.698 421 HB2 ASN 56 HB2 ASN 56 11.313 -0.394 -3.225 422 HB3 ASN 56 HB3 ASN 56 12.793 0.532 -3.446 423 HD21 ASN 56 HD21 ASN 56 11.559 -1.032 -1.112 424 HD22 ASN 56 HD22 ASN 56 11.709 0.034 0.237 425 H GLY 57 H GLY 57 9.189 1.966 -5.707 426 HA2 GLY 57 HA2 GLY 57 9.536 2.190 -8.100 427 HA3 GLY 57 HA3 GLY 57 10.857 1.041 -7.996 428 H LYS 58 H LYS 58 8.987 -0.469 -6.039 429 HA LYS 58 HA LYS 58 7.890 -2.280 -8.070 430 HB2 LYS 58 HB2 LYS 58 9.349 -3.104 -6.211 431 HB3 LYS 58 HB3 LYS 58 8.143 -2.554 -5.065 432 HG2 LYS 58 HG2 LYS 58 6.517 -4.182 -5.994 433 HG3 LYS 58 HG3 LYS 58 7.768 -4.765 -7.101 434 HD2 LYS 58 HD2 LYS 58 9.154 -5.496 -5.212 435 HD3 LYS 58 HD3 LYS 58 7.998 -4.818 -4.060 436 HE2 LYS 58 HE2 LYS 58 7.731 -7.250 -4.193 437 HE3 LYS 58 HE3 LYS 58 6.297 -6.453 -4.843 438 HZ1 LYS 58 HZ1 LYS 58 7.093 -6.865 -7.058 439 HZ2 LYS 58 HZ2 LYS 58 7.044 -8.322 -6.203 440 HZ3 LYS 58 HZ3 LYS 58 8.519 -7.546 -6.471 441 H ARG 59 H ARG 59 5.820 -1.969 -8.653 442 HA ARG 59 HA ARG 59 3.833 -0.744 -6.844 443 HB2 ARG 59 HB2 ARG 59 3.978 0.364 -9.003 444 HB3 ARG 59 HB3 ARG 59 3.845 -1.166 -9.863 445 HG2 ARG 59 HG2 ARG 59 1.495 -1.397 -9.013 446 HG3 ARG 59 HG3 ARG 59 1.644 0.185 -8.245 447 HD2 ARG 59 HD2 ARG 59 1.753 1.301 -10.339 448 HD3 ARG 59 HD3 ARG 59 2.087 -0.195 -11.215 449 HE ARG 59 HE ARG 59 -0.414 -0.508 -10.040 450 HH11 ARG 59 HH11 ARG 59 1.029 1.603 -12.468 451 HH12 ARG 59 HH12 ARG 59 -0.453 1.826 -13.327 452 HH21 ARG 59 HH21 ARG 59 -2.342 -0.220 -11.221 453 HH22 ARG 59 HH22 ARG 59 -2.358 0.794 -12.624 454 H GLY 60 H GLY 60 1.981 -1.829 -6.213 455 HA2 GLY 60 HA2 GLY 60 0.768 -3.983 -7.545 456 HA3 GLY 60 HA3 GLY 60 1.776 -4.646 -6.261 457 H LEU 61 H LEU 61 -0.374 -5.420 -5.561 458 HA LEU 61 HA LEU 61 -2.370 -3.596 -4.640 459 HB2 LEU 61 HB2 LEU 61 -2.071 -6.582 -4.158 460 HB3 LEU 61 HB3 LEU 61 -3.486 -5.623 -3.739 461 HG LEU 61 HG LEU 61 -2.463 -6.180 -6.527 462 HD11 LEU 61 HD11 LEU 61 -3.551 -8.083 -5.505 463 HD12 LEU 61 HD12 LEU 61 -4.529 -7.431 -6.821 464 HD13 LEU 61 HD13 LEU 61 -4.976 -7.100 -5.143 465 HD21 LEU 61 HD21 LEU 61 -4.835 -4.488 -5.687 466 HD22 LEU 61 HD22 LEU 61 -4.475 -4.985 -7.343 467 HD23 LEU 61 HD23 LEU 61 -3.364 -3.921 -6.488 468 H ILE 62 H ILE 62 -2.581 -2.744 -2.758 469 HA ILE 62 HA ILE 62 -0.905 -3.460 -0.448 470 HB ILE 62 HB ILE 62 -1.940 -0.710 -1.317 471 HG12 ILE 62 HG12 ILE 62 0.932 -1.776 -1.359 472 HG13 ILE 62 HG13 ILE 62 -0.083 -1.491 -2.772 473 HG21 ILE 62 HG21 ILE 62 -0.609 0.214 0.527 474 HG22 ILE 62 HG22 ILE 62 -0.136 -1.413 1.020 475 HG23 ILE 62 HG23 ILE 62 -1.826 -0.913 1.125 476 HD11 ILE 62 HD11 ILE 62 0.930 0.614 -0.859 477 HD12 ILE 62 HD12 ILE 62 -0.116 0.905 -2.253 478 HD13 ILE 62 HD13 ILE 62 1.518 0.290 -2.489 479 HA PRO 63 HA PRO 63 -4.999 -3.863 1.515 480 HB2 PRO 63 HB2 PRO 63 -3.525 -4.033 4.087 481 HB3 PRO 63 HB3 PRO 63 -4.531 -5.262 3.293 482 HG2 PRO 63 HG2 PRO 63 -1.852 -5.522 3.480 483 HG3 PRO 63 HG3 PRO 63 -2.776 -6.148 2.097 484 HD2 PRO 63 HD2 PRO 63 -1.145 -3.623 2.281 485 HD3 PRO 63 HD3 PRO 63 -1.248 -4.811 0.957 486 H GLN 64 H GLN 64 -6.160 -2.096 1.732 487 HA GLN 64 HA GLN 64 -5.327 0.530 2.113 488 HB2 GLN 64 HB2 GLN 64 -7.412 -0.125 1.023 489 HB3 GLN 64 HB3 GLN 64 -8.051 -0.761 2.532 490 HG2 GLN 64 HG2 GLN 64 -8.068 1.549 3.462 491 HG3 GLN 64 HG3 GLN 64 -7.490 2.157 1.911 492 HE21 GLN 64 HE21 GLN 64 -9.319 3.411 1.561 493 HE22 GLN 64 HE22 GLN 64 -10.878 2.751 1.229 494 H ASN 65 H ASN 65 -6.606 -1.761 4.470 495 HA ASN 65 HA ASN 65 -6.857 -0.060 6.721 496 HB2 ASN 65 HB2 ASN 65 -7.989 -2.268 6.481 497 HB3 ASN 65 HB3 ASN 65 -6.436 -3.080 6.621 498 HD21 ASN 65 HD21 ASN 65 -7.277 -4.242 8.428 499 HD22 ASN 65 HD22 ASN 65 -7.460 -3.508 9.976 500 H TYR 66 H TYR 66 -4.153 -1.870 5.383 501 HA TYR 66 HA TYR 66 -2.472 -1.607 7.741 502 HB2 TYR 66 HB2 TYR 66 -1.960 -2.798 4.993 503 HB3 TYR 66 HB3 TYR 66 -0.716 -2.710 6.234 504 HD1 TYR 66 HD2 TYR 66 -3.797 -3.368 7.917 505 HD2 TYR 66 HD1 TYR 66 -0.838 -5.270 5.488 506 HE1 TYR 66 HE2 TYR 66 -4.492 -5.558 8.773 507 HE2 TYR 66 HE1 TYR 66 -1.531 -7.458 6.339 508 HH TYR 66 HH TYR 66 -2.650 -8.397 8.311 509 H VAL 67 H VAL 67 -3.241 0.497 5.239 510 HA VAL 67 HA VAL 67 -0.799 2.102 5.766 511 HB VAL 67 HB VAL 67 -0.822 2.989 3.463 512 HG11 VAL 67 HG11 VAL 67 0.096 1.020 2.325 513 HG12 VAL 67 HG12 VAL 67 -0.617 -0.035 3.547 514 HG13 VAL 67 HG13 VAL 67 0.651 1.112 3.997 515 HG21 VAL 67 HG21 VAL 67 -2.184 1.928 1.674 516 HG22 VAL 67 HG22 VAL 67 -3.200 2.700 2.891 517 HG23 VAL 67 HG23 VAL 67 -3.011 0.943 2.885 518 H LYS 68 H LYS 68 -1.096 4.384 5.121 519 HA LYS 68 HA LYS 68 -3.797 5.482 5.563 520 HB2 LYS 68 HB2 LYS 68 -2.602 5.335 7.761 521 HB3 LYS 68 HB3 LYS 68 -1.287 6.295 7.088 522 HG2 LYS 68 HG2 LYS 68 -2.944 8.169 6.737 523 HG3 LYS 68 HG3 LYS 68 -4.141 7.186 7.586 524 HD2 LYS 68 HD2 LYS 68 -3.147 8.825 9.110 525 HD3 LYS 68 HD3 LYS 68 -2.720 7.184 9.607 526 HE2 LYS 68 HE2 LYS 68 -0.490 7.465 8.516 527 HE3 LYS 68 HE3 LYS 68 -0.934 9.120 8.083 528 HZ1 LYS 68 HZ1 LYS 68 -1.142 9.610 10.451 529 HZ2 LYS 68 HZ2 LYS 68 0.408 9.071 10.058 530 HZ3 LYS 68 HZ3 LYS 68 -0.670 8.030 10.828 531 H LEU 69 H LEU 69 -4.099 6.665 3.747 532 HA LEU 69 HA LEU 69 -2.110 7.597 2.006 533 HB2 LEU 69 HB2 LEU 69 -4.962 8.624 2.287 534 HB3 LEU 69 HB3 LEU 69 -3.901 8.903 0.914 535 HG LEU 69 HG LEU 69 -5.125 6.250 1.767 536 HD11 LEU 69 HD11 LEU 69 -6.663 7.743 0.594 537 HD12 LEU 69 HD12 LEU 69 -6.273 6.329 -0.382 538 HD13 LEU 69 HD13 LEU 69 -5.526 7.887 -0.753 539 HD21 LEU 69 HD21 LEU 69 -2.862 5.799 0.993 540 HD22 LEU 69 HD22 LEU 69 -3.128 6.758 -0.467 541 HD23 LEU 69 HD23 LEU 69 -4.019 5.255 -0.214 542 H LEU 70 H LEU 70 -0.767 9.254 2.185 543 HA LEU 70 HA LEU 70 -1.103 11.351 4.176 544 HB2 LEU 70 HB2 LEU 70 1.151 10.971 2.165 545 HB3 LEU 70 HB3 LEU 70 1.170 12.010 3.583 546 HG LEU 70 HG LEU 70 1.055 8.965 3.664 547 HD11 LEU 70 HD11 LEU 70 3.384 9.015 4.373 548 HD12 LEU 70 HD12 LEU 70 3.430 10.771 4.174 549 HD13 LEU 70 HD13 LEU 70 3.193 9.724 2.771 550 HD21 LEU 70 HD21 LEU 70 -0.001 9.976 5.635 551 HD22 LEU 70 HD22 LEU 70 1.440 10.954 5.933 552 HD23 LEU 70 HD23 LEU 70 1.515 9.195 6.068
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