NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631834 | 6g81 | 34257 | 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 -1.667 8.525 -4.629 2 H2 MET 1 H2 MET 1 -1.870 9.539 -3.308 3 H3 MET 1 H3 MET 1 -2.395 10.013 -4.831 4 HA MET 1 HA MET 1 -3.473 7.747 -3.262 5 HB2 MET 1 HB2 MET 1 -4.015 9.969 -2.351 6 HB3 MET 1 HB3 MET 1 -4.757 10.410 -3.911 7 HG2 MET 1 HG2 MET 1 -6.371 8.493 -3.575 8 HG3 MET 1 HG3 MET 1 -5.631 8.141 -2.014 9 HE1 MET 1 HE1 MET 1 -5.813 9.640 0.124 10 HE2 MET 1 HE2 MET 1 -6.733 11.166 0.243 11 HE3 MET 1 HE3 MET 1 -5.208 11.136 -0.625 12 H HIS 2 H HIS 2 -3.710 9.763 -6.272 13 HA HIS 2 HA HIS 2 -5.892 8.171 -7.339 14 HB2 HIS 2 HB2 HIS 2 -3.805 9.927 -8.710 15 HB3 HIS 2 HB3 HIS 2 -5.230 9.208 -9.502 16 HD1 HIS 2 HD1 HIS 2 -5.012 12.232 -9.547 17 HD2 HIS 2 HD2 HIS 2 -6.892 10.143 -6.439 18 HE1 HIS 2 HE1 HIS 2 -6.560 13.876 -8.387 19 HE2 HIS 2 HE2 HIS 2 -7.715 12.577 -6.508 20 H GLU 3 H GLU 3 -5.723 6.374 -8.961 21 HA GLU 3 HA GLU 3 -3.884 4.563 -7.878 22 HB2 GLU 3 HB2 GLU 3 -5.340 4.292 -10.512 23 HB3 GLU 3 HB3 GLU 3 -4.656 2.986 -9.555 24 HG2 GLU 3 HG2 GLU 3 -6.948 4.849 -8.753 25 HG3 GLU 3 HG3 GLU 3 -7.123 3.154 -9.226 26 H TYR 4 H TYR 4 -3.710 6.091 -11.116 27 HA TYR 4 HA TYR 4 -1.491 4.491 -11.894 28 HB2 TYR 4 HB2 TYR 4 -2.531 7.088 -12.989 29 HB3 TYR 4 HB3 TYR 4 -1.275 6.125 -13.766 30 HD1 TYR 4 HD1 TYR 4 -4.900 6.149 -12.911 31 HD2 TYR 4 HD2 TYR 4 -1.746 4.026 -14.925 32 HE1 TYR 4 HE1 TYR 4 -6.586 4.699 -14.033 33 HE2 TYR 4 HE2 TYR 4 -3.402 2.605 -16.033 34 HH TYR 4 HH TYR 4 -6.940 2.905 -15.446 35 H SER 5 H SER 5 -1.797 7.490 -10.103 36 HA SER 5 HA SER 5 0.947 8.226 -10.363 37 HB2 SER 5 HB2 SER 5 -0.681 9.885 -9.886 38 HB3 SER 5 HB3 SER 5 -1.051 9.101 -8.319 39 HG SER 5 HG SER 5 1.433 10.260 -9.198 40 H VAL 6 H VAL 6 -0.944 6.350 -8.015 41 HA VAL 6 HA VAL 6 1.314 6.076 -6.159 42 HB VAL 6 HB VAL 6 -1.295 4.353 -6.523 43 HG11 VAL 6 HG11 VAL 6 -0.811 3.551 -4.257 44 HG12 VAL 6 HG12 VAL 6 0.504 3.137 -5.358 45 HG13 VAL 6 HG13 VAL 6 0.675 4.484 -4.240 46 HG21 VAL 6 HG21 VAL 6 -0.702 6.471 -4.355 47 HG22 VAL 6 HG22 VAL 6 -2.217 5.604 -4.599 48 HG23 VAL 6 HG23 VAL 6 -1.653 6.851 -5.782 49 H VAL 7 H VAL 7 -0.014 4.100 -8.923 50 HA VAL 7 HA VAL 7 1.883 1.964 -8.438 51 HB VAL 7 HB VAL 7 0.367 2.718 -10.964 52 HG11 VAL 7 HG11 VAL 7 1.907 0.162 -10.234 53 HG12 VAL 7 HG12 VAL 7 2.421 1.382 -11.422 54 HG13 VAL 7 HG13 VAL 7 0.942 0.464 -11.709 55 HG21 VAL 7 HG21 VAL 7 -1.090 0.888 -10.294 56 HG22 VAL 7 HG22 VAL 7 -0.988 2.067 -8.985 57 HG23 VAL 7 HG23 VAL 7 -0.078 0.552 -8.882 58 H SER 8 H SER 8 2.032 5.017 -10.418 59 HA SER 8 HA SER 8 4.544 4.256 -11.627 60 HB2 SER 8 HB2 SER 8 3.243 6.125 -12.516 61 HB3 SER 8 HB3 SER 8 3.473 7.013 -10.965 62 HG SER 8 HG SER 8 4.982 7.696 -12.507 63 H SER 9 H SER 9 3.649 5.687 -8.513 64 HA SER 9 HA SER 9 6.409 6.246 -7.761 65 HB2 SER 9 HB2 SER 9 4.547 7.452 -6.596 66 HB3 SER 9 HB3 SER 9 3.972 5.863 -5.964 67 HG SER 9 HG SER 9 5.279 7.185 -4.556 68 H LEU 10 H LEU 10 4.169 3.509 -7.380 69 HA LEU 10 HA LEU 10 5.719 1.961 -5.605 70 HB2 LEU 10 HB2 LEU 10 3.349 1.516 -6.155 71 HB3 LEU 10 HB3 LEU 10 3.843 1.087 -7.811 72 HG LEU 10 HG LEU 10 5.044 -0.845 -7.021 73 HD11 LEU 10 HD11 LEU 10 5.806 -0.418 -4.832 74 HD12 LEU 10 HD12 LEU 10 4.545 -1.641 -4.625 75 HD13 LEU 10 HD13 LEU 10 4.223 0.067 -4.254 76 HD21 LEU 10 HD21 LEU 10 2.227 -0.653 -5.957 77 HD22 LEU 10 HD22 LEU 10 2.696 -0.877 -7.693 78 HD23 LEU 10 HD23 LEU 10 3.093 -2.141 -6.477 79 H ILE 11 H ILE 11 5.734 2.108 -9.237 80 HA ILE 11 HA ILE 11 7.501 -0.178 -9.429 81 HB ILE 11 HB ILE 11 7.183 2.158 -11.349 82 HG12 ILE 11 HG12 ILE 11 5.048 0.985 -11.034 83 HG13 ILE 11 HG13 ILE 11 5.714 0.659 -12.627 84 HG21 ILE 11 HG21 ILE 11 9.274 1.043 -11.749 85 HG22 ILE 11 HG22 ILE 11 8.143 0.507 -13.007 86 HG23 ILE 11 HG23 ILE 11 8.498 -0.540 -11.645 87 HD11 ILE 11 HD11 ILE 11 4.680 -1.331 -11.711 88 HD12 ILE 11 HD12 ILE 11 5.694 -1.235 -10.253 89 HD13 ILE 11 HD13 ILE 11 6.466 -1.583 -11.822 90 H ALA 12 H ALA 12 8.079 3.363 -9.045 91 HA ALA 12 HA ALA 12 10.927 3.063 -9.301 92 HB1 ALA 12 HB1 ALA 12 10.914 5.301 -8.095 93 HB2 ALA 12 HB2 ALA 12 9.151 5.174 -8.083 94 HB3 ALA 12 HB3 ALA 12 10.027 5.244 -9.632 95 H LEU 13 H LEU 13 8.612 2.872 -6.653 96 HA LEU 13 HA LEU 13 10.495 2.839 -4.504 97 HB2 LEU 13 HB2 LEU 13 8.059 3.227 -4.351 98 HB3 LEU 13 HB3 LEU 13 7.815 1.559 -4.701 99 HG LEU 13 HG LEU 13 8.803 0.928 -2.620 100 HD11 LEU 13 HD11 LEU 13 9.254 2.655 -0.914 101 HD12 LEU 13 HD12 LEU 13 9.142 3.864 -2.199 102 HD13 LEU 13 HD13 LEU 13 10.408 2.609 -2.198 103 HD21 LEU 13 HD21 LEU 13 6.367 1.464 -2.794 104 HD22 LEU 13 HD22 LEU 13 7.026 1.649 -1.171 105 HD23 LEU 13 HD23 LEU 13 6.740 3.093 -2.161 106 H CYS 14 H CYS 14 9.118 0.377 -6.616 107 HA CYS 14 HA CYS 14 10.203 -1.880 -5.222 108 HB2 CYS 14 HB2 CYS 14 9.377 -1.580 -8.135 109 HB3 CYS 14 HB3 CYS 14 9.836 -3.093 -7.369 110 HG CYS 14 HG CYS 14 7.240 -1.119 -6.921 111 H GLU 15 H GLU 15 11.340 0.192 -7.942 112 HA GLU 15 HA GLU 15 13.747 -1.279 -8.352 113 HB2 GLU 15 HB2 GLU 15 13.163 1.676 -8.783 114 HB3 GLU 15 HB3 GLU 15 14.630 0.880 -9.267 115 HG2 GLU 15 HG2 GLU 15 13.353 -0.639 -10.747 116 HG3 GLU 15 HG3 GLU 15 11.845 0.197 -10.287 117 H GLU 16 H GLU 16 13.015 1.487 -6.121 118 HA GLU 16 HA GLU 16 15.801 1.721 -5.509 119 HB2 GLU 16 HB2 GLU 16 15.300 3.148 -3.693 120 HB3 GLU 16 HB3 GLU 16 14.129 3.521 -5.020 121 HG2 GLU 16 HG2 GLU 16 12.434 2.178 -3.745 122 HG3 GLU 16 HG3 GLU 16 13.605 1.932 -2.456 123 H HIS 17 H HIS 17 13.196 -0.289 -4.213 124 HA HIS 17 HA HIS 17 14.741 -1.336 -2.008 125 HB2 HIS 17 HB2 HIS 17 12.356 -2.499 -3.456 126 HB3 HIS 17 HB3 HIS 17 13.196 -3.254 -2.072 127 HD1 HIS 17 HD1 HIS 17 13.277 -1.915 0.254 128 HD2 HIS 17 HD2 HIS 17 10.384 -0.661 -2.536 129 HE1 HIS 17 HE1 HIS 17 11.498 -0.608 1.526 130 HE2 HIS 17 HE2 HIS 17 9.786 0.158 -0.129 131 H ALA 18 H ALA 18 14.458 -2.075 -5.387 132 HA ALA 18 HA ALA 18 15.926 -4.547 -5.171 133 HB1 ALA 18 HB1 ALA 18 15.785 -2.616 -7.506 134 HB2 ALA 18 HB2 ALA 18 14.580 -3.835 -7.160 135 HB3 ALA 18 HB3 ALA 18 16.253 -4.335 -7.567 136 H LYS 19 H LYS 19 16.891 -1.101 -5.550 137 HA LYS 19 HA LYS 19 19.722 -1.718 -5.845 138 HB2 LYS 19 HB2 LYS 19 18.335 0.693 -4.666 139 HB3 LYS 19 HB3 LYS 19 20.054 0.630 -5.119 140 HG2 LYS 19 HG2 LYS 19 19.400 0.246 -7.470 141 HG3 LYS 19 HG3 LYS 19 17.707 0.389 -7.010 142 HD2 LYS 19 HD2 LYS 19 18.061 2.615 -6.090 143 HD3 LYS 19 HD3 LYS 19 19.735 2.584 -6.671 144 HE2 LYS 19 HE2 LYS 19 18.894 2.281 -8.998 145 HE3 LYS 19 HE3 LYS 19 17.221 2.307 -8.403 146 HZ1 LYS 19 HZ1 LYS 19 17.901 4.488 -9.254 147 HZ2 LYS 19 HZ2 LYS 19 19.211 4.558 -8.204 148 HZ3 LYS 19 HZ3 LYS 19 17.654 4.597 -7.617 149 H LYS 20 H LYS 20 17.553 -1.126 -3.094 150 HA LYS 20 HA LYS 20 19.622 -0.962 -1.114 151 HB2 LYS 20 HB2 LYS 20 16.646 -1.499 -0.937 152 HB3 LYS 20 HB3 LYS 20 17.707 -1.246 0.459 153 HG2 LYS 20 HG2 LYS 20 18.200 1.015 -0.215 154 HG3 LYS 20 HG3 LYS 20 17.320 0.830 -1.701 155 HD2 LYS 20 HD2 LYS 20 15.943 2.053 -0.197 156 HD3 LYS 20 HD3 LYS 20 15.221 0.441 -0.407 157 HE2 LYS 20 HE2 LYS 20 16.302 -0.244 1.741 158 HE3 LYS 20 HE3 LYS 20 16.984 1.385 1.878 159 HZ1 LYS 20 HZ1 LYS 20 14.754 2.279 1.886 160 HZ2 LYS 20 HZ2 LYS 20 15.024 1.269 3.165 161 HZ3 LYS 20 HZ3 LYS 20 14.097 0.744 1.901 162 H ASN 21 H ASN 21 17.863 -3.609 -2.578 163 HA ASN 21 HA ASN 21 18.915 -5.414 -0.450 164 HB2 ASN 21 HB2 ASN 21 16.465 -5.518 -1.223 165 HB3 ASN 21 HB3 ASN 21 17.076 -6.203 -2.737 166 HD21 ASN 21 HD21 ASN 21 16.524 -8.237 -2.667 167 HD22 ASN 21 HD22 ASN 21 16.860 -9.363 -1.366 168 H GLN 22 H GLN 22 20.010 -4.045 -3.140 169 HA GLN 22 HA GLN 22 21.571 -4.632 -4.720 170 HB2 GLN 22 HB2 GLN 22 22.368 -6.711 -2.647 171 HB3 GLN 22 HB3 GLN 22 23.330 -6.180 -4.026 172 HG2 GLN 22 HG2 GLN 22 23.194 -3.822 -3.143 173 HG3 GLN 22 HG3 GLN 22 22.393 -4.412 -1.716 174 HE21 GLN 22 HE21 GLN 22 25.212 -5.544 -3.596 175 HE22 GLN 22 HE22 GLN 22 26.311 -5.497 -2.242 176 H ALA 23 H ALA 23 19.159 -5.492 -5.375 177 HA ALA 23 HA ALA 23 19.548 -8.175 -6.527 178 HB1 ALA 23 HB1 ALA 23 17.831 -8.415 -4.867 179 HB2 ALA 23 HB2 ALA 23 16.959 -8.255 -6.398 180 HB3 ALA 23 HB3 ALA 23 17.122 -6.874 -5.301 181 H HIS 24 H HIS 24 18.808 -8.490 -8.636 182 HA HIS 24 HA HIS 24 18.661 -5.912 -10.141 183 HB2 HIS 24 HB2 HIS 24 19.540 -7.029 -12.001 184 HB3 HIS 24 HB3 HIS 24 20.495 -7.535 -10.606 185 HD1 HIS 24 HD1 HIS 24 18.485 -8.817 -13.425 186 HD2 HIS 24 HD2 HIS 24 19.741 -10.279 -9.704 187 HE1 HIS 24 HE1 HIS 24 18.271 -11.367 -13.506 188 HE2 HIS 24 HE2 HIS 24 19.056 -12.208 -11.241 189 H LYS 25 H LYS 25 16.601 -8.580 -9.337 190 HA LYS 25 HA LYS 25 14.611 -7.583 -11.277 191 HB2 LYS 25 HB2 LYS 25 16.193 -9.361 -12.216 192 HB3 LYS 25 HB3 LYS 25 15.429 -10.520 -11.186 193 HG2 LYS 25 HG2 LYS 25 14.165 -8.956 -13.450 194 HG3 LYS 25 HG3 LYS 25 14.749 -10.577 -13.552 195 HD2 LYS 25 HD2 LYS 25 13.054 -11.210 -11.790 196 HD3 LYS 25 HD3 LYS 25 12.403 -9.584 -11.946 197 HE2 LYS 25 HE2 LYS 25 12.709 -11.609 -14.189 198 HE3 LYS 25 HE3 LYS 25 11.205 -11.145 -13.348 199 HZ1 LYS 25 HZ1 LYS 25 11.603 -8.863 -14.122 200 HZ2 LYS 25 HZ2 LYS 25 11.332 -9.923 -15.348 201 HZ3 LYS 25 HZ3 LYS 25 12.835 -9.408 -15.055 202 H ILE 26 H ILE 26 12.502 -7.740 -10.479 203 HA ILE 26 HA ILE 26 12.150 -9.218 -7.867 204 HB ILE 26 HB ILE 26 10.533 -6.910 -9.098 205 HG12 ILE 26 HG12 ILE 26 12.460 -6.914 -6.691 206 HG13 ILE 26 HG13 ILE 26 12.920 -6.369 -8.308 207 HG21 ILE 26 HG21 ILE 26 9.489 -6.809 -6.880 208 HG22 ILE 26 HG22 ILE 26 10.356 -8.240 -6.355 209 HG23 ILE 26 HG23 ILE 26 9.115 -8.282 -7.693 210 HD11 ILE 26 HD11 ILE 26 10.794 -5.134 -6.612 211 HD12 ILE 26 HD12 ILE 26 12.423 -4.523 -6.918 212 HD13 ILE 26 HD13 ILE 26 11.278 -4.647 -8.257 213 H GLU 27 H GLU 27 10.930 -11.002 -7.913 214 HA GLU 27 HA GLU 27 9.438 -11.583 -10.388 215 HB2 GLU 27 HB2 GLU 27 10.087 -13.297 -8.011 216 HB3 GLU 27 HB3 GLU 27 9.200 -13.847 -9.435 217 HG2 GLU 27 HG2 GLU 27 11.921 -12.728 -9.670 218 HG3 GLU 27 HG3 GLU 27 11.619 -14.447 -9.447 219 H ARG 28 H ARG 28 8.783 -10.678 -7.134 220 HA ARG 28 HA ARG 28 5.884 -10.754 -7.766 221 HB2 ARG 28 HB2 ARG 28 6.448 -12.991 -6.749 222 HB3 ARG 28 HB3 ARG 28 6.989 -12.135 -5.321 223 HG2 ARG 28 HG2 ARG 28 4.703 -11.261 -4.958 224 HG3 ARG 28 HG3 ARG 28 4.121 -12.154 -6.348 225 HD2 ARG 28 HD2 ARG 28 5.368 -13.365 -3.851 226 HD3 ARG 28 HD3 ARG 28 3.664 -13.324 -4.261 227 HE ARG 28 HE ARG 28 5.712 -15.051 -5.364 228 HH11 ARG 28 HH11 ARG 28 2.388 -13.877 -5.787 229 HH12 ARG 28 HH12 ARG 28 1.971 -15.309 -6.715 230 HH21 ARG 28 HH21 ARG 28 5.030 -16.778 -6.677 231 HH22 ARG 28 HH22 ARG 28 3.345 -16.918 -7.124 232 H VAL 29 H VAL 29 4.770 -9.088 -6.763 233 HA VAL 29 HA VAL 29 6.175 -7.665 -4.594 234 HB VAL 29 HB VAL 29 4.494 -6.406 -6.837 235 HG11 VAL 29 HG11 VAL 29 4.989 -4.270 -5.796 236 HG12 VAL 29 HG12 VAL 29 4.119 -5.298 -4.628 237 HG13 VAL 29 HG13 VAL 29 5.869 -5.019 -4.492 238 HG21 VAL 29 HG21 VAL 29 6.534 -5.232 -7.467 239 HG22 VAL 29 HG22 VAL 29 6.826 -6.977 -7.501 240 HG23 VAL 29 HG23 VAL 29 7.454 -6.004 -6.173 241 H VAL 30 H VAL 30 4.790 -7.757 -2.707 242 HA VAL 30 HA VAL 30 1.893 -8.148 -3.343 243 HB VAL 30 HB VAL 30 1.590 -9.436 -1.294 244 HG11 VAL 30 HG11 VAL 30 3.920 -10.840 -2.633 245 HG12 VAL 30 HG12 VAL 30 2.469 -10.471 -3.601 246 HG13 VAL 30 HG13 VAL 30 2.324 -11.473 -2.186 247 HG21 VAL 30 HG21 VAL 30 3.541 -8.491 0.022 248 HG22 VAL 30 HG22 VAL 30 4.631 -9.493 -0.993 249 HG23 VAL 30 HG23 VAL 30 3.430 -10.267 0.048 250 H VAL 31 H VAL 31 0.507 -6.802 -2.356 251 HA VAL 31 HA VAL 31 1.752 -4.644 -0.721 252 HB VAL 31 HB VAL 31 0.263 -3.032 -1.881 253 HG11 VAL 31 HG11 VAL 31 1.402 -2.923 -4.030 254 HG12 VAL 31 HG12 VAL 31 1.945 -4.647 -3.835 255 HG13 VAL 31 HG13 VAL 31 2.532 -3.366 -2.746 256 HG21 VAL 31 HG21 VAL 31 -0.960 -3.621 -3.887 257 HG22 VAL 31 HG22 VAL 31 -1.517 -4.623 -2.544 258 HG23 VAL 31 HG23 VAL 31 -0.441 -5.317 -3.755 259 H GLY 32 H GLY 32 0.152 -3.404 0.494 260 HA2 GLY 32 HA2 GLY 32 -2.240 -5.017 1.144 261 HA3 GLY 32 HA3 GLY 32 -1.317 -4.185 2.399 262 H ILE 33 H ILE 33 -4.154 -3.905 0.937 263 HA ILE 33 HA ILE 33 -3.946 -0.944 0.618 264 HB ILE 33 HB ILE 33 -5.594 -2.865 -1.101 265 HG12 ILE 33 HG12 ILE 33 -3.397 -0.932 -1.863 266 HG13 ILE 33 HG13 ILE 33 -3.148 -2.667 -1.660 267 HG21 ILE 33 HG21 ILE 33 -5.473 0.210 -1.173 268 HG22 ILE 33 HG22 ILE 33 -6.885 -0.742 -0.596 269 HG23 ILE 33 HG23 ILE 33 -6.409 -0.811 -2.273 270 HD11 ILE 33 HD11 ILE 33 -4.851 -2.988 -3.519 271 HD12 ILE 33 HD12 ILE 33 -3.339 -2.287 -3.994 272 HD13 ILE 33 HD13 ILE 33 -4.772 -1.253 -3.818 273 H GLY 34 H GLY 34 -5.430 0.038 1.898 274 HA2 GLY 34 HA2 GLY 34 -6.642 -1.513 3.955 275 HA3 GLY 34 HA3 GLY 34 -6.924 0.200 3.641 276 H GLU 35 H GLU 35 -8.677 -1.940 4.486 277 HA GLU 35 HA GLU 35 -10.489 -2.639 2.410 278 HB2 GLU 35 HB2 GLU 35 -11.891 -3.420 4.186 279 HB3 GLU 35 HB3 GLU 35 -10.227 -3.791 4.593 280 HG2 GLU 35 HG2 GLU 35 -10.139 -1.892 6.072 281 HG3 GLU 35 HG3 GLU 35 -11.819 -1.537 5.700 282 H ARG 36 H ARG 36 -10.211 0.282 4.274 283 HA ARG 36 HA ARG 36 -12.689 1.350 2.977 284 HB2 ARG 36 HB2 ARG 36 -11.333 2.195 5.557 285 HB3 ARG 36 HB3 ARG 36 -12.721 2.981 4.826 286 HG2 ARG 36 HG2 ARG 36 -14.070 0.935 5.121 287 HG3 ARG 36 HG3 ARG 36 -12.728 0.161 5.875 288 HD2 ARG 36 HD2 ARG 36 -12.635 1.911 7.631 289 HD3 ARG 36 HD3 ARG 36 -14.101 2.614 6.900 290 HE ARG 36 HE ARG 36 -13.831 0.164 8.515 291 HH11 ARG 36 HH11 ARG 36 -15.697 -0.886 9.100 292 HH12 ARG 36 HH12 ARG 36 -17.225 -0.519 8.350 293 HH21 ARG 36 HH21 ARG 36 -15.988 1.918 6.275 294 HH22 ARG 36 HH22 ARG 36 -17.384 1.007 6.811 295 H SER 37 H SER 37 -9.941 1.112 1.916 296 HA SER 37 HA SER 37 -8.681 3.645 2.151 297 HB2 SER 37 HB2 SER 37 -7.259 2.832 0.307 298 HB3 SER 37 HB3 SER 37 -7.463 1.561 1.521 299 HG SER 37 HG SER 37 -8.667 0.447 0.148 300 H ALA 38 H ALA 38 -8.180 5.157 0.562 301 HA ALA 38 HA ALA 38 -10.474 6.023 -1.020 302 HB1 ALA 38 HB1 ALA 38 -9.061 7.986 -1.426 303 HB2 ALA 38 HB2 ALA 38 -7.655 7.159 -0.759 304 HB3 ALA 38 HB3 ALA 38 -9.026 7.605 0.297 305 H MET 39 H MET 39 -8.900 3.427 -1.724 306 HA MET 39 HA MET 39 -8.022 4.237 -4.467 307 HB2 MET 39 HB2 MET 39 -6.800 2.166 -2.595 308 HB3 MET 39 HB3 MET 39 -6.391 2.402 -4.263 309 HG2 MET 39 HG2 MET 39 -5.665 4.701 -3.868 310 HG3 MET 39 HG3 MET 39 -6.060 4.523 -2.145 311 HE1 MET 39 HE1 MET 39 -4.372 2.213 -4.897 312 HE2 MET 39 HE2 MET 39 -2.662 2.458 -4.518 313 HE3 MET 39 HE3 MET 39 -3.642 3.817 -5.116 314 H ASP 40 H ASP 40 -8.230 2.852 -6.080 315 HA ASP 40 HA ASP 40 -10.461 0.876 -5.812 316 HB2 ASP 40 HB2 ASP 40 -9.384 2.413 -8.217 317 HB3 ASP 40 HB3 ASP 40 -10.589 1.125 -8.286 318 H LYS 41 H LYS 41 -9.696 -1.194 -5.553 319 HA LYS 41 HA LYS 41 -7.088 -2.042 -6.357 320 HB2 LYS 41 HB2 LYS 41 -9.609 -3.577 -5.846 321 HB3 LYS 41 HB3 LYS 41 -8.037 -4.336 -6.036 322 HG2 LYS 41 HG2 LYS 41 -7.209 -3.213 -4.035 323 HG3 LYS 41 HG3 LYS 41 -8.723 -2.335 -3.835 324 HD2 LYS 41 HD2 LYS 41 -8.770 -4.197 -2.306 325 HD3 LYS 41 HD3 LYS 41 -9.994 -4.509 -3.575 326 HE2 LYS 41 HE2 LYS 41 -8.493 -6.008 -4.747 327 HE3 LYS 41 HE3 LYS 41 -7.241 -5.736 -3.508 328 HZ1 LYS 41 HZ1 LYS 41 -9.902 -6.897 -3.026 329 HZ2 LYS 41 HZ2 LYS 41 -8.755 -6.628 -1.877 330 HZ3 LYS 41 HZ3 LYS 41 -8.489 -7.727 -3.087 331 H SER 42 H SER 42 -10.094 -2.013 -8.148 332 HA SER 42 HA SER 42 -9.230 -3.952 -10.052 333 HB2 SER 42 HB2 SER 42 -11.605 -3.343 -9.793 334 HB3 SER 42 HB3 SER 42 -11.233 -1.720 -10.452 335 HG SER 42 HG SER 42 -11.932 -2.907 -12.174 336 H LEU 43 H LEU 43 -9.016 -0.429 -9.907 337 HA LEU 43 HA LEU 43 -7.700 -0.351 -12.526 338 HB2 LEU 43 HB2 LEU 43 -8.006 1.714 -10.374 339 HB3 LEU 43 HB3 LEU 43 -7.273 2.043 -11.932 340 HG LEU 43 HG LEU 43 -10.136 1.129 -11.575 341 HD11 LEU 43 HD11 LEU 43 -10.731 3.442 -12.061 342 HD12 LEU 43 HD12 LEU 43 -9.042 3.932 -12.119 343 HD13 LEU 43 HD13 LEU 43 -9.808 3.383 -10.582 344 HD21 LEU 43 HD21 LEU 43 -8.666 2.239 -13.976 345 HD22 LEU 43 HD22 LEU 43 -9.200 0.550 -13.755 346 HD23 LEU 43 HD23 LEU 43 -10.386 1.818 -13.877 347 H PHE 44 H PHE 44 -6.794 -0.650 -9.157 348 HA PHE 44 HA PHE 44 -4.078 0.223 -9.455 349 HB2 PHE 44 HB2 PHE 44 -5.283 -0.112 -7.300 350 HB3 PHE 44 HB3 PHE 44 -5.199 -1.885 -7.591 351 HD1 PHE 44 HD1 PHE 44 -3.164 1.159 -6.844 352 HD2 PHE 44 HD2 PHE 44 -3.229 -3.139 -7.260 353 HE1 PHE 44 HE1 PHE 44 -0.877 1.035 -5.795 354 HE2 PHE 44 HE2 PHE 44 -0.995 -3.263 -6.171 355 HZ PHE 44 HZ PHE 44 0.208 -1.247 -5.457 356 H VAL 45 H VAL 45 -5.602 -3.049 -9.832 357 HA VAL 45 HA VAL 45 -2.998 -4.198 -10.428 358 HB VAL 45 HB VAL 45 -4.247 -6.273 -11.061 359 HG11 VAL 45 HG11 VAL 45 -3.809 -5.820 -8.649 360 HG12 VAL 45 HG12 VAL 45 -5.409 -4.996 -8.544 361 HG13 VAL 45 HG13 VAL 45 -5.304 -6.739 -8.936 362 HG21 VAL 45 HG21 VAL 45 -6.250 -5.194 -12.157 363 HG22 VAL 45 HG22 VAL 45 -6.695 -6.426 -10.982 364 HG23 VAL 45 HG23 VAL 45 -6.849 -4.691 -10.585 365 H SER 46 H SER 46 -5.406 -2.493 -12.380 366 HA SER 46 HA SER 46 -4.391 -3.551 -14.924 367 HB2 SER 46 HB2 SER 46 -6.656 -2.635 -14.747 368 HB3 SER 46 HB3 SER 46 -6.001 -1.061 -14.342 369 HG SER 46 HG SER 46 -5.671 -2.501 -16.796 370 H ALA 47 H ALA 47 -3.896 -0.654 -12.850 371 HA ALA 47 HA ALA 47 -2.145 0.732 -14.672 372 HB1 ALA 47 HB1 ALA 47 -2.690 0.837 -11.701 373 HB2 ALA 47 HB2 ALA 47 -1.527 1.895 -12.478 374 HB3 ALA 47 HB3 ALA 47 -3.214 1.963 -12.936 375 H PHE 48 H PHE 48 -1.729 -1.767 -12.135 376 HA PHE 48 HA PHE 48 1.120 -1.492 -12.010 377 HB2 PHE 48 HB2 PHE 48 -0.247 -2.748 -10.335 378 HB3 PHE 48 HB3 PHE 48 -0.418 -4.037 -11.557 379 HD1 PHE 48 HD1 PHE 48 1.928 -2.314 -9.251 380 HD2 PHE 48 HD2 PHE 48 1.440 -5.485 -12.124 381 HE1 PHE 48 HE1 PHE 48 4.072 -3.238 -8.555 382 HE2 PHE 48 HE2 PHE 48 3.608 -6.474 -11.403 383 HZ PHE 48 HZ PHE 48 4.938 -5.356 -9.610 384 H GLU 49 H GLU 49 -1.021 -3.345 -14.155 385 HA GLU 49 HA GLU 49 1.213 -4.685 -15.440 386 HB2 GLU 49 HB2 GLU 49 -1.589 -4.117 -16.451 387 HB3 GLU 49 HB3 GLU 49 -0.413 -5.143 -17.289 388 HG2 GLU 49 HG2 GLU 49 -0.290 -6.647 -15.355 389 HG3 GLU 49 HG3 GLU 49 -1.438 -5.658 -14.516 390 H THR 50 H THR 50 -0.520 -1.600 -15.900 391 HA THR 50 HA THR 50 0.458 -1.094 -18.518 392 HB THR 50 HB THR 50 -0.330 0.930 -16.395 393 HG1 THR 50 HG1 THR 50 -1.925 -0.639 -16.776 394 HG21 THR 50 HG21 THR 50 0.671 2.099 -18.125 395 HG22 THR 50 HG22 THR 50 -1.074 2.201 -18.439 396 HG23 THR 50 HG23 THR 50 -0.039 1.081 -19.372 397 H PHE 51 H PHE 51 1.632 -0.131 -15.241 398 HA PHE 51 HA PHE 51 3.947 1.205 -16.420 399 HB2 PHE 51 HB2 PHE 51 3.228 0.808 -13.509 400 HB3 PHE 51 HB3 PHE 51 4.612 1.682 -14.083 401 HD1 PHE 51 HD1 PHE 51 1.018 2.020 -13.567 402 HD2 PHE 51 HD2 PHE 51 4.476 3.688 -15.515 403 HE1 PHE 51 HE1 PHE 51 -0.116 4.163 -13.667 404 HE2 PHE 51 HE2 PHE 51 3.334 5.896 -15.648 405 HZ PHE 51 HZ PHE 51 1.000 6.141 -14.753 406 H ARG 52 H ARG 52 3.528 -2.062 -15.163 407 HA ARG 52 HA ARG 52 6.220 -2.220 -14.140 408 HB2 ARG 52 HB2 ARG 52 5.885 -4.571 -13.962 409 HB3 ARG 52 HB3 ARG 52 4.408 -3.753 -13.449 410 HG2 ARG 52 HG2 ARG 52 3.420 -4.345 -15.706 411 HG3 ARG 52 HG3 ARG 52 4.927 -5.165 -16.087 412 HD2 ARG 52 HD2 ARG 52 4.649 -6.702 -14.167 413 HD3 ARG 52 HD3 ARG 52 3.112 -5.907 -13.781 414 HE ARG 52 HE ARG 52 2.968 -6.696 -16.497 415 HH11 ARG 52 HH11 ARG 52 3.212 -8.373 -13.407 416 HH12 ARG 52 HH12 ARG 52 2.301 -9.759 -13.989 417 HH21 ARG 52 HH21 ARG 52 1.754 -8.359 -17.141 418 HH22 ARG 52 HH22 ARG 52 1.466 -9.711 -16.091 419 H GLU 53 H GLU 53 4.937 -2.556 -17.360 420 HA GLU 53 HA GLU 53 7.195 -4.012 -18.441 421 HB2 GLU 53 HB2 GLU 53 6.304 -3.421 -20.568 422 HB3 GLU 53 HB3 GLU 53 4.935 -3.885 -19.521 423 HG2 GLU 53 HG2 GLU 53 4.411 -1.519 -19.108 424 HG3 GLU 53 HG3 GLU 53 5.701 -1.100 -20.274 425 H GLU 54 H GLU 54 6.722 -0.723 -17.527 426 HA GLU 54 HA GLU 54 8.648 0.480 -19.262 427 HB2 GLU 54 HB2 GLU 54 7.744 1.302 -16.516 428 HB3 GLU 54 HB3 GLU 54 8.677 2.315 -17.613 429 HG2 GLU 54 HG2 GLU 54 5.929 1.220 -18.207 430 HG3 GLU 54 HG3 GLU 54 6.282 2.877 -17.708 431 H SER 55 H SER 55 9.028 -1.539 -16.436 432 HA SER 55 HA SER 55 11.977 -0.927 -16.527 433 HB2 SER 55 HB2 SER 55 10.922 0.182 -14.536 434 HB3 SER 55 HB3 SER 55 10.252 -1.404 -14.062 435 HG SER 55 HG SER 55 12.507 -0.415 -13.345 436 H LEU 56 H LEU 56 13.259 -2.636 -16.617 437 HA LEU 56 HA LEU 56 12.331 -5.284 -17.114 438 HB2 LEU 56 HB2 LEU 56 14.451 -4.258 -17.830 439 HB3 LEU 56 HB3 LEU 56 15.062 -4.344 -16.213 440 HG LEU 56 HG LEU 56 16.053 -5.968 -17.698 441 HD11 LEU 56 HD11 LEU 56 15.798 -6.431 -15.246 442 HD12 LEU 56 HD12 LEU 56 16.156 -7.801 -16.304 443 HD13 LEU 56 HD13 LEU 56 14.479 -7.569 -15.691 444 HD21 LEU 56 HD21 LEU 56 13.976 -6.302 -19.111 445 HD22 LEU 56 HD22 LEU 56 14.823 -7.787 -18.647 446 HD23 LEU 56 HD23 LEU 56 13.350 -7.354 -17.769 447 H VAL 57 H VAL 57 13.411 -3.636 -14.249 448 HA VAL 57 HA VAL 57 13.846 -5.891 -12.578 449 HB VAL 57 HB VAL 57 12.903 -3.029 -11.841 450 HG11 VAL 57 HG11 VAL 57 12.648 -4.501 -9.954 451 HG12 VAL 57 HG12 VAL 57 14.213 -5.243 -10.216 452 HG13 VAL 57 HG13 VAL 57 14.051 -3.551 -9.681 453 HG21 VAL 57 HG21 VAL 57 14.993 -3.007 -13.174 454 HG22 VAL 57 HG22 VAL 57 15.315 -2.569 -11.477 455 HG23 VAL 57 HG23 VAL 57 15.720 -4.242 -12.080 456 H CYS 58 H CYS 58 10.850 -4.011 -13.295 457 HA CYS 58 HA CYS 58 9.378 -5.748 -11.377 458 HB2 CYS 58 HB2 CYS 58 8.547 -3.181 -12.760 459 HB3 CYS 58 HB3 CYS 58 7.621 -4.015 -11.499 460 HG CYS 58 HG CYS 58 10.593 -2.628 -11.136 461 H LYS 59 H LYS 59 10.012 -5.684 -14.649 462 HA LYS 59 HA LYS 59 7.541 -5.674 -15.941 463 HB2 LYS 59 HB2 LYS 59 9.855 -5.614 -16.916 464 HB3 LYS 59 HB3 LYS 59 10.005 -7.328 -16.575 465 HG2 LYS 59 HG2 LYS 59 8.184 -7.811 -18.155 466 HG3 LYS 59 HG3 LYS 59 8.037 -6.092 -18.442 467 HD2 LYS 59 HD2 LYS 59 9.330 -6.926 -20.221 468 HD3 LYS 59 HD3 LYS 59 10.427 -6.044 -19.159 469 HE2 LYS 59 HE2 LYS 59 11.510 -8.086 -19.851 470 HE3 LYS 59 HE3 LYS 59 11.151 -8.242 -18.141 471 HZ1 LYS 59 HZ1 LYS 59 10.550 -10.192 -19.560 472 HZ2 LYS 59 HZ2 LYS 59 9.335 -9.291 -20.213 473 HZ3 LYS 59 HZ3 LYS 59 9.329 -9.638 -18.612 474 H ASP 60 H ASP 60 9.044 -8.519 -14.384 475 HA ASP 60 HA ASP 60 6.701 -10.089 -15.370 476 HB2 ASP 60 HB2 ASP 60 9.430 -10.867 -14.284 477 HB3 ASP 60 HB3 ASP 60 8.178 -12.049 -14.795 478 H ALA 61 H ALA 61 7.233 -8.227 -12.807 479 HA ALA 61 HA ALA 61 7.044 -10.096 -10.647 480 HB1 ALA 61 HB1 ALA 61 6.291 -7.163 -10.748 481 HB2 ALA 61 HB2 ALA 61 6.377 -8.153 -9.243 482 HB3 ALA 61 HB3 ALA 61 7.851 -7.860 -10.208 483 H ILE 62 H ILE 62 5.412 -11.079 -9.615 484 HA ILE 62 HA ILE 62 2.731 -10.928 -10.763 485 HB ILE 62 HB ILE 62 3.821 -12.559 -8.442 486 HG12 ILE 62 HG12 ILE 62 3.244 -13.525 -11.285 487 HG13 ILE 62 HG13 ILE 62 4.820 -13.007 -10.726 488 HG21 ILE 62 HG21 ILE 62 1.195 -12.851 -9.976 489 HG22 ILE 62 HG22 ILE 62 1.733 -13.919 -8.686 490 HG23 ILE 62 HG23 ILE 62 1.346 -12.228 -8.336 491 HD11 ILE 62 HD11 ILE 62 3.207 -15.297 -9.580 492 HD12 ILE 62 HD12 ILE 62 4.801 -14.729 -8.990 493 HD13 ILE 62 HD13 ILE 62 4.625 -15.399 -10.636 494 H LEU 63 H LEU 63 1.095 -9.701 -9.873 495 HA LEU 63 HA LEU 63 1.814 -8.337 -7.319 496 HB2 LEU 63 HB2 LEU 63 1.501 -6.947 -9.345 497 HB3 LEU 63 HB3 LEU 63 -0.137 -7.514 -9.463 498 HG LEU 63 HG LEU 63 0.091 -5.178 -8.686 499 HD11 LEU 63 HD11 LEU 63 -1.655 -5.279 -7.172 500 HD12 LEU 63 HD12 LEU 63 -1.072 -6.774 -6.440 501 HD13 LEU 63 HD13 LEU 63 -1.787 -6.812 -8.051 502 HD21 LEU 63 HD21 LEU 63 0.851 -4.713 -6.414 503 HD22 LEU 63 HD22 LEU 63 1.289 -6.420 -6.182 504 HD23 LEU 63 HD23 LEU 63 2.129 -5.445 -7.381 505 H ASP 64 H ASP 64 0.805 -8.848 -5.478 506 HA ASP 64 HA ASP 64 -1.888 -10.097 -5.619 507 HB2 ASP 64 HB2 ASP 64 0.397 -10.601 -3.727 508 HB3 ASP 64 HB3 ASP 64 -1.236 -11.179 -3.493 509 H ILE 65 H ILE 65 -3.384 -9.291 -4.031 510 HA ILE 65 HA ILE 65 -2.392 -6.940 -2.421 511 HB ILE 65 HB ILE 65 -5.189 -7.346 -3.599 512 HG12 ILE 65 HG12 ILE 65 -3.067 -5.260 -4.401 513 HG13 ILE 65 HG13 ILE 65 -3.381 -6.744 -5.282 514 HG21 ILE 65 HG21 ILE 65 -5.521 -4.926 -2.728 515 HG22 ILE 65 HG22 ILE 65 -3.915 -4.991 -2.021 516 HG23 ILE 65 HG23 ILE 65 -5.180 -6.090 -1.446 517 HD11 ILE 65 HD11 ILE 65 -5.566 -4.619 -4.913 518 HD12 ILE 65 HD12 ILE 65 -4.496 -4.790 -6.313 519 HD13 ILE 65 HD13 ILE 65 -5.614 -6.130 -5.900 520 H VAL 66 H VAL 66 -2.757 -6.976 -0.339 521 HA VAL 66 HA VAL 66 -4.617 -8.986 0.877 522 HB VAL 66 HB VAL 66 -2.278 -7.473 2.049 523 HG11 VAL 66 HG11 VAL 66 -4.047 -9.558 3.305 524 HG12 VAL 66 HG12 VAL 66 -3.947 -7.835 3.726 525 HG13 VAL 66 HG13 VAL 66 -2.570 -8.864 4.046 526 HG21 VAL 66 HG21 VAL 66 -1.458 -9.160 0.596 527 HG22 VAL 66 HG22 VAL 66 -2.527 -10.386 1.325 528 HG23 VAL 66 HG23 VAL 66 -1.176 -9.678 2.276 529 H ASP 67 H ASP 67 -6.402 -8.199 1.869 530 HA ASP 67 HA ASP 67 -6.816 -5.283 1.803 531 HB2 ASP 67 HB2 ASP 67 -8.492 -7.691 2.635 532 HB3 ASP 67 HB3 ASP 67 -9.073 -6.032 2.726 533 H GLU 68 H GLU 68 -6.417 -3.961 3.564 534 HA GLU 68 HA GLU 68 -6.024 -5.283 6.194 535 HB2 GLU 68 HB2 GLU 68 -4.596 -2.858 5.084 536 HB3 GLU 68 HB3 GLU 68 -4.413 -3.492 6.709 537 HG2 GLU 68 HG2 GLU 68 -3.595 -5.639 5.760 538 HG3 GLU 68 HG3 GLU 68 -3.612 -4.947 4.153 539 H LYS 69 H LYS 69 -6.575 -4.374 8.096 540 HA LYS 69 HA LYS 69 -8.967 -2.705 8.029 541 HB2 LYS 69 HB2 LYS 69 -7.178 -3.842 10.242 542 HB3 LYS 69 HB3 LYS 69 -8.557 -2.794 10.601 543 HG2 LYS 69 HG2 LYS 69 -9.314 -4.993 10.978 544 HG3 LYS 69 HG3 LYS 69 -10.155 -4.285 9.588 545 HD2 LYS 69 HD2 LYS 69 -8.765 -5.583 8.020 546 HD3 LYS 69 HD3 LYS 69 -7.876 -6.262 9.429 547 HE2 LYS 69 HE2 LYS 69 -10.043 -7.162 10.254 548 HE3 LYS 69 HE3 LYS 69 -10.795 -6.618 8.740 549 HZ1 LYS 69 HZ1 LYS 69 -10.264 -8.855 8.510 550 HZ2 LYS 69 HZ2 LYS 69 -8.676 -8.614 8.854 551 HZ3 LYS 69 HZ3 LYS 69 -9.351 -7.971 7.477 552 H VAL 70 H VAL 70 -9.133 -0.587 8.746 553 HA VAL 70 HA VAL 70 -6.805 1.065 8.308 554 HB VAL 70 HB VAL 70 -8.324 2.965 8.849 555 HG11 VAL 70 HG11 VAL 70 -9.922 0.975 7.184 556 HG12 VAL 70 HG12 VAL 70 -8.387 1.664 6.595 557 HG13 VAL 70 HG13 VAL 70 -9.759 2.733 6.969 558 HG21 VAL 70 HG21 VAL 70 -10.362 0.860 9.610 559 HG22 VAL 70 HG22 VAL 70 -10.616 2.622 9.489 560 HG23 VAL 70 HG23 VAL 70 -9.505 1.966 10.739 561 H GLU 71 H GLU 71 -5.944 2.700 9.719 562 HA GLU 71 HA GLU 71 -6.106 2.056 12.655 563 HB2 GLU 71 HB2 GLU 71 -3.943 1.235 11.705 564 HB3 GLU 71 HB3 GLU 71 -3.641 2.894 11.063 565 HG2 GLU 71 HG2 GLU 71 -3.644 3.790 13.350 566 HG3 GLU 71 HG3 GLU 71 -3.876 2.168 14.005 567 H LEU 72 H LEU 72 -6.287 3.900 13.959 568 HA LEU 72 HA LEU 72 -6.702 6.463 12.424 569 HB2 LEU 72 HB2 LEU 72 -8.195 5.415 14.822 570 HB3 LEU 72 HB3 LEU 72 -8.470 6.949 14.081 571 HG LEU 72 HG LEU 72 -8.954 4.314 12.717 572 HD11 LEU 72 HD11 LEU 72 -10.955 6.214 13.993 573 HD12 LEU 72 HD12 LEU 72 -11.376 4.797 13.064 574 HD13 LEU 72 HD13 LEU 72 -10.535 4.612 14.573 575 HD21 LEU 72 HD21 LEU 72 -10.251 5.738 11.115 576 HD22 LEU 72 HD22 LEU 72 -8.509 6.016 11.113 577 HD23 LEU 72 HD23 LEU 72 -9.615 7.152 11.933 578 H GLU 73 H GLU 73 -6.281 8.377 13.417 579 HA GLU 73 HA GLU 73 -4.826 8.323 16.045 580 HB2 GLU 73 HB2 GLU 73 -3.251 8.661 14.125 581 HB3 GLU 73 HB3 GLU 73 -4.233 10.001 13.578 582 HG2 GLU 73 HG2 GLU 73 -3.724 11.279 15.663 583 HG3 GLU 73 HG3 GLU 73 -2.662 9.917 16.156 584 H CYS 74 H CYS 74 -5.428 10.095 17.312 585 HA CYS 74 HA CYS 74 -7.861 11.500 16.282 586 HB2 CYS 74 HB2 CYS 74 -7.999 10.093 18.376 587 HB3 CYS 74 HB3 CYS 74 -6.790 11.173 19.130 588 H LYS 75 H LYS 75 -7.717 13.795 16.111 589 HA LYS 75 HA LYS 75 -5.129 15.036 16.108 590 HB2 LYS 75 HB2 LYS 75 -7.933 16.253 15.976 591 HB3 LYS 75 HB3 LYS 75 -6.412 17.155 15.865 592 HG2 LYS 75 HG2 LYS 75 -5.708 15.686 13.939 593 HG3 LYS 75 HG3 LYS 75 -7.255 14.876 14.055 594 HD2 LYS 75 HD2 LYS 75 -7.418 16.419 12.227 595 HD3 LYS 75 HD3 LYS 75 -8.339 17.135 13.572 596 HE2 LYS 75 HE2 LYS 75 -6.391 18.503 14.129 597 HE3 LYS 75 HE3 LYS 75 -5.507 17.766 12.803 598 HZ1 LYS 75 HZ1 LYS 75 -7.983 19.354 12.513 599 HZ2 LYS 75 HZ2 LYS 75 -7.155 18.641 11.277 600 HZ3 LYS 75 HZ3 LYS 75 -6.474 19.881 12.134 601 H ASP 76 H ASP 76 -4.539 16.805 17.824 602 HA ASP 76 HA ASP 76 -3.571 15.123 19.602 603 HB2 ASP 76 HB2 ASP 76 -4.142 18.063 20.237 604 HB3 ASP 76 HB3 ASP 76 -2.908 17.020 20.992 605 H CYS 77 H CYS 77 -4.587 13.691 20.353 606 HA CYS 77 HA CYS 77 -5.606 13.708 23.115 607 HB2 CYS 77 HB2 CYS 77 -7.697 13.676 21.607 608 HB3 CYS 77 HB3 CYS 77 -6.850 12.504 20.593 609 H SER 78 H SER 78 -4.092 11.927 23.887 610 HA SER 78 HA SER 78 -2.463 10.894 21.707 611 HB2 SER 78 HB2 SER 78 -1.415 11.555 23.810 612 HB3 SER 78 HB3 SER 78 -2.316 10.318 24.660 613 HG SER 78 HG SER 78 -0.359 10.012 22.651 614 H HIS 79 H HIS 79 -3.587 9.465 20.493 615 HA HIS 79 HA HIS 79 -4.369 7.137 21.807 616 HB2 HIS 79 HB2 HIS 79 -6.276 8.773 22.031 617 HB3 HIS 79 HB3 HIS 79 -6.723 8.219 20.431 618 HD1 HIS 79 HD1 HIS 79 -5.771 6.610 23.808 619 HD2 HIS 79 HD2 HIS 79 -8.225 5.986 20.499 620 HE1 HIS 79 HE1 HIS 79 -7.097 4.510 24.311 621 HE2 HIS 79 HE2 HIS 79 -8.557 4.091 22.272 622 H VAL 80 H VAL 80 -2.555 7.082 19.548 623 HA VAL 80 HA VAL 80 -4.207 6.228 17.367 624 HB VAL 80 HB VAL 80 -1.288 5.635 17.788 625 HG11 VAL 80 HG11 VAL 80 -2.910 5.551 15.185 626 HG12 VAL 80 HG12 VAL 80 -2.130 4.201 15.976 627 HG13 VAL 80 HG13 VAL 80 -1.165 5.469 15.233 628 HG21 VAL 80 HG21 VAL 80 -0.860 7.576 16.328 629 HG22 VAL 80 HG22 VAL 80 -1.698 8.027 17.808 630 HG23 VAL 80 HG23 VAL 80 -2.603 7.857 16.300 631 H PHE 81 H PHE 81 -5.065 4.511 16.759 632 HA PHE 81 HA PHE 81 -4.428 1.855 17.953 633 HB2 PHE 81 HB2 PHE 81 -6.557 1.600 19.036 634 HB3 PHE 81 HB3 PHE 81 -5.834 3.097 19.638 635 HD1 PHE 81 HD1 PHE 81 -8.859 1.637 18.787 636 HD2 PHE 81 HD2 PHE 81 -6.636 5.192 17.841 637 HE1 PHE 81 HE1 PHE 81 -10.966 2.792 18.116 638 HE2 PHE 81 HE2 PHE 81 -8.677 6.360 17.225 639 HZ PHE 81 HZ PHE 81 -10.886 5.188 17.317 640 H LYS 82 H LYS 82 -6.126 0.188 17.187 641 HA LYS 82 HA LYS 82 -7.208 0.865 14.454 642 HB2 LYS 82 HB2 LYS 82 -6.702 -1.809 15.827 643 HB3 LYS 82 HB3 LYS 82 -7.575 -1.599 14.317 644 HG2 LYS 82 HG2 LYS 82 -5.437 -2.313 13.653 645 HG3 LYS 82 HG3 LYS 82 -5.449 -0.568 13.334 646 HD2 LYS 82 HD2 LYS 82 -4.140 -0.136 15.308 647 HD3 LYS 82 HD3 LYS 82 -4.230 -1.840 15.824 648 HE2 LYS 82 HE2 LYS 82 -2.939 -2.473 13.783 649 HE3 LYS 82 HE3 LYS 82 -2.861 -0.777 13.330 650 HZ1 LYS 82 HZ1 LYS 82 -1.569 -2.130 15.604 651 HZ2 LYS 82 HZ2 LYS 82 -1.820 -0.487 15.645 652 HZ3 LYS 82 HZ3 LYS 82 -0.866 -1.140 14.448 653 HA PRO 83 HA PRO 83 -10.939 1.046 16.855 654 HB2 PRO 83 HB2 PRO 83 -12.844 1.275 14.887 655 HB3 PRO 83 HB3 PRO 83 -11.738 2.604 15.290 656 HG2 PRO 83 HG2 PRO 83 -11.429 0.476 13.146 657 HG3 PRO 83 HG3 PRO 83 -11.392 2.281 12.975 658 HD2 PRO 83 HD2 PRO 83 -9.124 0.841 13.167 659 HD3 PRO 83 HD3 PRO 83 -9.294 2.420 14.046 660 H ASN 84 H ASN 84 -12.614 -0.338 17.497 661 HA ASN 84 HA ASN 84 -12.420 -3.109 16.320 662 HB2 ASN 84 HB2 ASN 84 -13.056 -2.088 19.131 663 HB3 ASN 84 HB3 ASN 84 -12.997 -3.780 18.640 664 HD21 ASN 84 HD21 ASN 84 -11.308 -1.509 20.143 665 HD22 ASN 84 HD22 ASN 84 -9.685 -2.062 19.843 666 H ALA 85 H ALA 85 -14.602 -0.639 16.204 667 HA ALA 85 HA ALA 85 -17.012 -2.411 16.189 668 HB1 ALA 85 HB1 ALA 85 -16.639 -1.380 18.546 669 HB2 ALA 85 HB2 ALA 85 -18.156 -0.908 17.766 670 HB3 ALA 85 HB3 ALA 85 -16.785 0.184 17.770 671 H LEU 86 H LEU 86 -18.886 -0.721 15.756 672 HA LEU 86 HA LEU 86 -18.508 0.395 13.141 673 HB2 LEU 86 HB2 LEU 86 -20.713 0.713 15.135 674 HB3 LEU 86 HB3 LEU 86 -20.810 1.114 13.424 675 HG LEU 86 HG LEU 86 -20.399 -1.643 14.490 676 HD11 LEU 86 HD11 LEU 86 -22.703 -2.081 13.890 677 HD12 LEU 86 HD12 LEU 86 -22.952 -0.394 13.394 678 HD13 LEU 86 HD13 LEU 86 -22.593 -0.791 15.074 679 HD21 LEU 86 HD21 LEU 86 -19.502 -1.382 12.201 680 HD22 LEU 86 HD22 LEU 86 -21.058 -0.738 11.637 681 HD23 LEU 86 HD23 LEU 86 -20.948 -2.407 12.214 682 H ASP 87 H ASP 87 -17.360 1.486 15.841 683 HA ASP 87 HA ASP 87 -18.142 4.303 15.776 684 HB2 ASP 87 HB2 ASP 87 -16.685 4.485 17.736 685 HB3 ASP 87 HB3 ASP 87 -17.727 3.069 17.906 686 H TYR 88 H TYR 88 -16.714 2.950 13.468 687 HA TYR 88 HA TYR 88 -14.069 3.972 13.204 688 HB2 TYR 88 HB2 TYR 88 -16.249 3.651 11.106 689 HB3 TYR 88 HB3 TYR 88 -14.537 3.875 10.734 690 HD1 TYR 88 HD1 TYR 88 -12.940 2.004 11.196 691 HD2 TYR 88 HD2 TYR 88 -17.165 1.492 11.729 692 HE1 TYR 88 HE1 TYR 88 -12.694 -0.504 11.144 693 HE2 TYR 88 HE2 TYR 88 -16.913 -0.997 11.667 694 HH TYR 88 HH TYR 88 -13.744 -2.549 11.253 695 H GLY 89 H GLY 89 -13.324 5.996 12.529 696 HA2 GLY 89 HA2 GLY 89 -13.512 8.119 11.571 697 HA3 GLY 89 HA3 GLY 89 -15.282 8.023 11.601 698 H VAL 90 H VAL 90 -14.188 7.183 14.701 699 HA VAL 90 HA VAL 90 -13.704 9.940 15.597 700 HB VAL 90 HB VAL 90 -15.192 9.696 17.569 701 HG11 VAL 90 HG11 VAL 90 -17.271 10.287 16.476 702 HG12 VAL 90 HG12 VAL 90 -16.860 9.403 15.009 703 HG13 VAL 90 HG13 VAL 90 -15.971 10.890 15.443 704 HG21 VAL 90 HG21 VAL 90 -15.333 7.216 17.571 705 HG22 VAL 90 HG22 VAL 90 -16.930 7.967 17.618 706 HG23 VAL 90 HG23 VAL 90 -16.362 7.270 16.115 707 H CYS 91 H CYS 91 -12.736 9.849 17.774 708 HA CYS 91 HA CYS 91 -10.810 7.661 18.060 709 HB2 CYS 91 HB2 CYS 91 -10.418 10.102 18.694 710 HB3 CYS 91 HB3 CYS 91 -11.655 9.895 19.973 711 H GLU 92 H GLU 92 -10.779 6.317 20.157 712 HA GLU 92 HA GLU 92 -13.630 5.778 21.021 713 HB2 GLU 92 HB2 GLU 92 -12.923 3.666 21.770 714 HB3 GLU 92 HB3 GLU 92 -12.377 3.887 20.131 715 HG2 GLU 92 HG2 GLU 92 -10.156 4.350 20.935 716 HG3 GLU 92 HG3 GLU 92 -10.710 4.073 22.586 717 H LYS 93 H LYS 93 -10.567 7.146 22.067 718 HA LYS 93 HA LYS 93 -10.797 6.643 24.892 719 HB2 LYS 93 HB2 LYS 93 -8.734 7.303 23.725 720 HB3 LYS 93 HB3 LYS 93 -9.423 8.850 23.413 721 HG2 LYS 93 HG2 LYS 93 -7.930 9.127 25.160 722 HG3 LYS 93 HG3 LYS 93 -9.540 9.234 25.846 723 HD2 LYS 93 HD2 LYS 93 -9.402 6.887 26.576 724 HD3 LYS 93 HD3 LYS 93 -7.775 6.837 25.931 725 HE2 LYS 93 HE2 LYS 93 -7.096 8.614 27.489 726 HE3 LYS 93 HE3 LYS 93 -8.707 8.760 28.126 727 HZ1 LYS 93 HZ1 LYS 93 -7.337 7.415 29.571 728 HZ2 LYS 93 HZ2 LYS 93 -6.959 6.325 28.354 729 HZ3 LYS 93 HZ3 LYS 93 -8.506 6.442 28.925 730 H CYS 94 H CYS 94 -11.817 8.994 22.683 731 HA CYS 94 HA CYS 94 -13.803 10.313 24.422 732 HB2 CYS 94 HB2 CYS 94 -13.145 12.490 23.490 733 HB3 CYS 94 HB3 CYS 94 -11.737 11.789 24.294 734 H HIS 95 H HIS 95 -15.285 11.270 22.484 735 HA HIS 95 HA HIS 95 -14.851 9.554 20.071 736 HB2 HIS 95 HB2 HIS 95 -17.541 10.295 21.239 737 HB3 HIS 95 HB3 HIS 95 -17.241 9.457 19.713 738 HD1 HIS 95 HD1 HIS 95 -17.694 8.802 23.303 739 HD2 HIS 95 HD2 HIS 95 -15.916 6.885 20.041 740 HE1 HIS 95 HE1 HIS 95 -17.491 6.309 23.917 741 HE2 HIS 95 HE2 HIS 95 -16.426 5.169 21.923 742 H SER 96 H SER 96 -13.583 11.843 20.510 743 HA SER 96 HA SER 96 -15.005 14.092 19.516 744 HB2 SER 96 HB2 SER 96 -12.853 14.282 20.798 745 HB3 SER 96 HB3 SER 96 -11.980 13.457 19.500 746 HG SER 96 HG SER 96 -12.316 15.224 18.168 747 H LYS 97 H LYS 97 -15.161 14.972 17.643 748 HA LYS 97 HA LYS 97 -14.982 13.389 15.169 749 HB2 LYS 97 HB2 LYS 97 -15.651 16.294 15.709 750 HB3 LYS 97 HB3 LYS 97 -15.751 15.489 14.119 751 HG2 LYS 97 HG2 LYS 97 -17.456 13.920 15.052 752 HG3 LYS 97 HG3 LYS 97 -17.354 14.680 16.626 753 HD2 LYS 97 HD2 LYS 97 -19.303 15.492 15.523 754 HD3 LYS 97 HD3 LYS 97 -18.130 16.824 15.517 755 HE2 LYS 97 HE2 LYS 97 -17.508 16.312 13.195 756 HE3 LYS 97 HE3 LYS 97 -18.673 14.963 13.163 757 HZ1 LYS 97 HZ1 LYS 97 -19.514 17.717 13.740 758 HZ2 LYS 97 HZ2 LYS 97 -19.488 17.063 12.230 759 HZ3 LYS 97 HZ3 LYS 97 -20.457 16.404 13.390 760 H ASN 98 H ASN 98 -13.699 14.319 13.343 761 HA ASN 98 HA ASN 98 -11.706 15.008 12.425 762 HB2 ASN 98 HB2 ASN 98 -11.166 16.655 14.865 763 HB3 ASN 98 HB3 ASN 98 -10.323 16.741 13.301 764 HD21 ASN 98 HD21 ASN 98 -12.237 18.512 15.070 765 HD22 ASN 98 HD22 ASN 98 -13.344 19.155 13.874 766 H VAL 99 H VAL 99 -11.529 12.622 12.966 767 HA VAL 99 HA VAL 99 -8.855 12.360 14.244 768 HB VAL 99 HB VAL 99 -9.298 9.957 14.510 769 HG11 VAL 99 HG11 VAL 99 -10.019 11.788 16.241 770 HG12 VAL 99 HG12 VAL 99 -11.651 11.281 15.802 771 HG13 VAL 99 HG13 VAL 99 -10.533 10.082 16.442 772 HG21 VAL 99 HG21 VAL 99 -11.987 10.584 13.428 773 HG22 VAL 99 HG22 VAL 99 -10.766 9.522 12.723 774 HG23 VAL 99 HG23 VAL 99 -11.549 9.066 14.224 775 H ILE 100 H ILE 100 -7.438 10.919 12.888 776 HA ILE 100 HA ILE 100 -8.374 11.004 10.025 777 HB ILE 100 HB ILE 100 -6.227 11.685 9.219 778 HG12 ILE 100 HG12 ILE 100 -4.736 10.883 11.064 779 HG13 ILE 100 HG13 ILE 100 -4.411 12.518 10.464 780 HG21 ILE 100 HG21 ILE 100 -7.933 13.344 9.668 781 HG22 ILE 100 HG22 ILE 100 -6.326 14.048 9.880 782 HG23 ILE 100 HG23 ILE 100 -7.274 13.632 11.315 783 HD11 ILE 100 HD11 ILE 100 -5.346 13.504 12.477 784 HD12 ILE 100 HD12 ILE 100 -5.834 11.932 13.107 785 HD13 ILE 100 HD13 ILE 100 -4.130 12.280 12.944 786 H ILE 101 H ILE 101 -7.666 9.403 8.709 787 HA ILE 101 HA ILE 101 -6.875 6.920 10.023 788 HB ILE 101 HB ILE 101 -7.184 7.624 7.073 789 HG12 ILE 101 HG12 ILE 101 -9.106 6.142 8.889 790 HG13 ILE 101 HG13 ILE 101 -9.255 7.840 8.546 791 HG21 ILE 101 HG21 ILE 101 -6.972 4.946 8.532 792 HG22 ILE 101 HG22 ILE 101 -5.827 5.587 7.325 793 HG23 ILE 101 HG23 ILE 101 -7.466 5.106 6.847 794 HD11 ILE 101 HD11 ILE 101 -9.454 7.273 6.072 795 HD12 ILE 101 HD12 ILE 101 -10.753 6.680 7.134 796 HD13 ILE 101 HD13 ILE 101 -9.519 5.535 6.574 797 H THR 102 H THR 102 -4.821 6.224 10.290 798 HA THR 102 HA THR 102 -2.682 7.855 8.989 799 HB THR 102 HB THR 102 -1.202 6.693 10.597 800 HG1 THR 102 HG1 THR 102 -2.217 5.309 12.140 801 HG21 THR 102 HG21 THR 102 -2.506 8.732 11.244 802 HG22 THR 102 HG22 THR 102 -1.997 7.704 12.598 803 HG23 THR 102 HG23 THR 102 -3.662 7.669 12.039 804 H GLN 103 H GLN 103 -3.948 4.584 9.237 805 HA GLN 103 HA GLN 103 -2.270 3.872 6.874 806 HB2 GLN 103 HB2 GLN 103 -2.651 2.136 9.345 807 HB3 GLN 103 HB3 GLN 103 -1.845 1.652 7.863 808 HG2 GLN 103 HG2 GLN 103 -0.174 3.493 8.269 809 HG3 GLN 103 HG3 GLN 103 -0.969 3.787 9.819 810 HE21 GLN 103 HE21 GLN 103 -0.022 2.887 11.486 811 HE22 GLN 103 HE22 GLN 103 0.999 1.465 11.401 812 H GLY 104 H GLY 104 -3.232 2.171 5.588 813 HA2 GLY 104 HA2 GLY 104 -5.025 0.801 4.937 814 HA3 GLY 104 HA3 GLY 104 -5.961 1.341 6.327 815 H ASN 105 H ASN 105 -4.715 4.078 4.839 816 HA ASN 105 HA ASN 105 -7.301 4.480 3.439 817 HB2 ASN 105 HB2 ASN 105 -6.409 6.238 5.033 818 HB3 ASN 105 HB3 ASN 105 -5.158 6.569 3.840 819 HD21 ASN 105 HD21 ASN 105 -5.746 8.522 3.118 820 HD22 ASN 105 HD22 ASN 105 -7.280 8.928 2.393 821 H GLU 106 H GLU 106 -3.931 4.160 2.954 822 HA GLU 106 HA GLU 106 -4.228 4.151 0.022 823 HB2 GLU 106 HB2 GLU 106 -2.113 5.706 1.506 824 HB3 GLU 106 HB3 GLU 106 -2.126 5.387 -0.210 825 HG2 GLU 106 HG2 GLU 106 -4.315 6.569 -0.356 826 HG3 GLU 106 HG3 GLU 106 -4.133 6.962 1.348 827 H MET 107 H MET 107 -2.387 3.139 -1.051 828 HA MET 107 HA MET 107 -1.983 0.484 -0.009 829 HB2 MET 107 HB2 MET 107 -2.254 1.189 -2.324 830 HB3 MET 107 HB3 MET 107 -0.701 2.011 -2.321 831 HG2 MET 107 HG2 MET 107 -1.039 -0.993 -1.968 832 HG3 MET 107 HG3 MET 107 -0.771 -0.225 -3.477 833 HE1 MET 107 HE1 MET 107 2.854 1.224 -3.278 834 HE2 MET 107 HE2 MET 107 1.353 2.102 -3.115 835 HE3 MET 107 HE3 MET 107 1.495 0.811 -4.368 836 H ARG 108 H ARG 108 -0.272 -0.657 0.591 837 HA ARG 108 HA ARG 108 2.241 0.707 1.463 838 HB2 ARG 108 HB2 ARG 108 0.502 0.318 3.316 839 HB3 ARG 108 HB3 ARG 108 0.456 -1.378 2.841 840 HG2 ARG 108 HG2 ARG 108 2.863 -1.574 3.587 841 HG3 ARG 108 HG3 ARG 108 2.669 0.075 4.277 842 HD2 ARG 108 HD2 ARG 108 0.762 -0.843 5.638 843 HD3 ARG 108 HD3 ARG 108 0.924 -2.391 4.858 844 HE ARG 108 HE ARG 108 3.414 -1.679 6.083 845 HH11 ARG 108 HH11 ARG 108 4.045 -2.693 7.945 846 HH12 ARG 108 HH12 ARG 108 2.886 -3.530 8.966 847 HH21 ARG 108 HH21 ARG 108 0.187 -2.998 6.880 848 HH22 ARG 108 HH22 ARG 108 0.796 -3.667 8.372 849 H LEU 109 H LEU 109 4.110 -0.801 1.430 850 HA LEU 109 HA LEU 109 3.718 -3.187 -0.293 851 HB2 LEU 109 HB2 LEU 109 6.156 -1.766 0.770 852 HB3 LEU 109 HB3 LEU 109 6.247 -3.363 0.119 853 HG LEU 109 HG LEU 109 5.351 -1.025 -1.534 854 HD11 LEU 109 HD11 LEU 109 8.023 -2.439 -1.286 855 HD12 LEU 109 HD12 LEU 109 7.655 -0.724 -0.866 856 HD13 LEU 109 HD13 LEU 109 7.596 -1.241 -2.560 857 HD21 LEU 109 HD21 LEU 109 6.046 -3.948 -2.058 858 HD22 LEU 109 HD22 LEU 109 4.480 -3.147 -2.331 859 HD23 LEU 109 HD23 LEU 109 5.833 -2.735 -3.355 860 H LEU 110 H LEU 110 3.828 -5.282 0.504 861 HA LEU 110 HA LEU 110 4.430 -5.417 3.422 862 HB2 LEU 110 HB2 LEU 110 2.924 -7.370 1.740 863 HB3 LEU 110 HB3 LEU 110 3.250 -7.528 3.462 864 HG LEU 110 HG LEU 110 1.569 -5.360 2.169 865 HD11 LEU 110 HD11 LEU 110 0.854 -7.890 3.631 866 HD12 LEU 110 HD12 LEU 110 0.572 -7.527 1.887 867 HD13 LEU 110 HD13 LEU 110 -0.278 -6.626 3.191 868 HD21 LEU 110 HD21 LEU 110 0.778 -4.869 4.427 869 HD22 LEU 110 HD22 LEU 110 2.507 -4.575 4.244 870 HD23 LEU 110 HD23 LEU 110 1.953 -6.032 5.086 871 H SER 111 H SER 111 5.038 -7.290 0.434 872 HA SER 111 HA SER 111 7.761 -7.930 1.407 873 HB2 SER 111 HB2 SER 111 5.771 -10.020 0.630 874 HB3 SER 111 HB3 SER 111 7.485 -10.308 0.974 875 HG SER 111 HG SER 111 6.477 -8.988 3.039 876 H LEU 112 H LEU 112 9.169 -8.785 -0.249 877 HA LEU 112 HA LEU 112 8.037 -8.693 -3.035 878 HB2 LEU 112 HB2 LEU 112 10.740 -7.555 -2.188 879 HB3 LEU 112 HB3 LEU 112 10.185 -7.759 -3.846 880 HG LEU 112 HG LEU 112 8.482 -6.009 -3.503 881 HD11 LEU 112 HD11 LEU 112 9.866 -5.476 -0.808 882 HD12 LEU 112 HD12 LEU 112 8.174 -5.926 -1.041 883 HD13 LEU 112 HD13 LEU 112 8.775 -4.370 -1.629 884 HD21 LEU 112 HD21 LEU 112 11.324 -5.166 -2.842 885 HD22 LEU 112 HD22 LEU 112 10.112 -4.186 -3.654 886 HD23 LEU 112 HD23 LEU 112 10.775 -5.615 -4.424 887 H GLU 113 H GLU 113 8.893 -10.366 -4.409 888 HA GLU 113 HA GLU 113 10.836 -12.254 -3.096 889 HB2 GLU 113 HB2 GLU 113 8.687 -13.171 -3.967 890 HB3 GLU 113 HB3 GLU 113 9.163 -12.631 -5.582 891 HG2 GLU 113 HG2 GLU 113 11.097 -14.127 -5.455 892 HG3 GLU 113 HG3 GLU 113 10.540 -14.686 -3.896 893 H MET 114 H MET 114 12.988 -12.208 -3.954 894 HA MET 114 HA MET 114 13.279 -10.540 -6.442 895 HB2 MET 114 HB2 MET 114 14.737 -10.225 -3.797 896 HB3 MET 114 HB3 MET 114 14.999 -9.242 -5.269 897 HG2 MET 114 HG2 MET 114 12.671 -8.384 -5.078 898 HG3 MET 114 HG3 MET 114 12.439 -9.393 -3.646 899 HE1 MET 114 HE1 MET 114 15.078 -6.795 -4.889 900 HE2 MET 114 HE2 MET 114 14.774 -5.504 -3.692 901 HE3 MET 114 HE3 MET 114 13.491 -5.968 -4.852 902 H LEU 115 H LEU 115 15.246 -10.704 -7.600 903 HA LEU 115 HA LEU 115 16.764 -13.189 -6.963 904 HB2 LEU 115 HB2 LEU 115 16.506 -11.705 -9.539 905 HB3 LEU 115 HB3 LEU 115 17.460 -13.142 -9.281 906 HG LEU 115 HG LEU 115 14.440 -13.025 -9.160 907 HD11 LEU 115 HD11 LEU 115 14.608 -14.334 -11.279 908 HD12 LEU 115 HD12 LEU 115 16.381 -14.133 -11.263 909 HD13 LEU 115 HD13 LEU 115 15.333 -12.756 -11.495 910 HD21 LEU 115 HD21 LEU 115 15.278 -14.801 -7.664 911 HD22 LEU 115 HD22 LEU 115 16.342 -15.409 -8.902 912 HD23 LEU 115 HD23 LEU 115 14.586 -15.490 -9.116 913 H ALA 116 H ALA 116 18.862 -12.954 -6.345 914 HA ALA 116 HA ALA 116 19.956 -10.351 -5.817 915 HB1 ALA 116 HB1 ALA 116 20.533 -12.357 -4.479 916 HB2 ALA 116 HB2 ALA 116 21.980 -11.592 -5.156 917 HB3 ALA 116 HB3 ALA 116 21.346 -13.054 -5.909 918 H GLU 117 H GLU 117 21.693 -9.240 -6.693 919 HA GLU 117 HA GLU 117 21.936 -9.268 -9.546 920 HB2 GLU 117 HB2 GLU 117 23.449 -7.460 -9.184 921 HB3 GLU 117 HB3 GLU 117 22.169 -7.311 -8.017 922 HG2 GLU 117 HG2 GLU 117 23.603 -8.422 -6.293 923 HG3 GLU 117 HG3 GLU 117 24.927 -8.402 -7.440 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -2.917 8.010 -4.409 2 H2 MET 1 H2 MET 1 -3.088 9.029 -3.117 3 H3 MET 1 H3 MET 1 -3.479 9.555 -4.614 4 HA MET 1 HA MET 1 -4.858 7.440 -3.106 5 HB2 MET 1 HB2 MET 1 -5.837 10.136 -4.041 6 HB3 MET 1 HB3 MET 1 -6.779 8.951 -3.191 7 HG2 MET 1 HG2 MET 1 -4.343 10.386 -2.109 8 HG3 MET 1 HG3 MET 1 -6.039 10.752 -1.694 9 HE1 MET 1 HE1 MET 1 -7.561 9.296 -0.164 10 HE2 MET 1 HE2 MET 1 -7.139 7.730 0.490 11 HE3 MET 1 HE3 MET 1 -7.459 7.919 -1.228 12 H HIS 2 H HIS 2 -4.695 9.202 -6.185 13 HA HIS 2 HA HIS 2 -6.731 7.612 -7.482 14 HB2 HIS 2 HB2 HIS 2 -4.545 9.342 -8.563 15 HB3 HIS 2 HB3 HIS 2 -5.787 8.586 -9.535 16 HD1 HIS 2 HD1 HIS 2 -8.259 9.384 -9.150 17 HD2 HIS 2 HD2 HIS 2 -5.338 11.684 -7.264 18 HE1 HIS 2 HE1 HIS 2 -9.366 11.624 -8.539 19 HE2 HIS 2 HE2 HIS 2 -7.613 12.933 -7.284 20 H GLU 3 H GLU 3 -6.436 5.755 -9.011 21 HA GLU 3 HA GLU 3 -4.497 4.050 -7.859 22 HB2 GLU 3 HB2 GLU 3 -6.022 3.705 -10.457 23 HB3 GLU 3 HB3 GLU 3 -5.185 2.456 -9.591 24 HG2 GLU 3 HG2 GLU 3 -7.424 2.112 -8.978 25 HG3 GLU 3 HG3 GLU 3 -6.778 3.049 -7.596 26 H TYR 4 H TYR 4 -4.344 5.738 -11.056 27 HA TYR 4 HA TYR 4 -1.951 4.199 -11.798 28 HB2 TYR 4 HB2 TYR 4 -3.219 6.737 -12.904 29 HB3 TYR 4 HB3 TYR 4 -1.736 5.975 -13.530 30 HD1 TYR 4 HD1 TYR 4 -5.428 5.389 -13.124 31 HD2 TYR 4 HD2 TYR 4 -1.735 3.910 -14.845 32 HE1 TYR 4 HE1 TYR 4 -6.691 3.774 -14.552 33 HE2 TYR 4 HE2 TYR 4 -3.013 2.295 -16.154 34 HH TYR 4 HH TYR 4 -4.996 1.492 -16.734 35 H SER 5 H SER 5 -2.477 7.229 -10.010 36 HA SER 5 HA SER 5 0.311 7.939 -10.092 37 HB2 SER 5 HB2 SER 5 -1.435 9.598 -9.684 38 HB3 SER 5 HB3 SER 5 -1.832 8.800 -8.133 39 HG SER 5 HG SER 5 0.645 10.003 -8.923 40 H VAL 6 H VAL 6 -1.703 6.061 -7.762 41 HA VAL 6 HA VAL 6 0.472 5.807 -5.829 42 HB VAL 6 HB VAL 6 -2.065 4.126 -6.281 43 HG11 VAL 6 HG11 VAL 6 -0.106 4.176 -4.019 44 HG12 VAL 6 HG12 VAL 6 -0.444 2.832 -5.080 45 HG13 VAL 6 HG13 VAL 6 -1.638 3.365 -3.960 46 HG21 VAL 6 HG21 VAL 6 -3.062 5.368 -4.451 47 HG22 VAL 6 HG22 VAL 6 -2.405 6.564 -5.599 48 HG23 VAL 6 HG23 VAL 6 -1.529 6.197 -4.122 49 H VAL 7 H VAL 7 -0.651 3.783 -8.640 50 HA VAL 7 HA VAL 7 1.321 1.715 -8.087 51 HB VAL 7 HB VAL 7 -0.024 2.488 -10.661 52 HG11 VAL 7 HG11 VAL 7 1.573 -0.015 -9.919 53 HG12 VAL 7 HG12 VAL 7 2.081 1.241 -11.077 54 HG13 VAL 7 HG13 VAL 7 0.676 0.255 -11.438 55 HG21 VAL 7 HG21 VAL 7 -1.591 1.676 -8.911 56 HG22 VAL 7 HG22 VAL 7 -0.516 0.297 -8.625 57 HG23 VAL 7 HG23 VAL 7 -1.380 0.440 -10.144 58 H SER 8 H SER 8 1.442 4.821 -9.876 59 HA SER 8 HA SER 8 3.993 4.262 -11.098 60 HB2 SER 8 HB2 SER 8 2.536 6.186 -11.734 61 HB3 SER 8 HB3 SER 8 2.892 6.922 -10.164 62 HG SER 8 HG SER 8 4.221 7.346 -12.271 63 H SER 9 H SER 9 3.080 5.517 -7.898 64 HA SER 9 HA SER 9 5.811 5.972 -7.055 65 HB2 SER 9 HB2 SER 9 3.309 5.512 -5.365 66 HB3 SER 9 HB3 SER 9 4.868 6.052 -4.794 67 HG SER 9 HG SER 9 4.256 7.996 -5.282 68 H LEU 10 H LEU 10 3.564 3.229 -6.992 69 HA LEU 10 HA LEU 10 4.960 1.590 -5.140 70 HB2 LEU 10 HB2 LEU 10 2.664 1.094 -6.032 71 HB3 LEU 10 HB3 LEU 10 3.380 0.724 -7.587 72 HG LEU 10 HG LEU 10 4.575 -1.148 -6.660 73 HD11 LEU 10 HD11 LEU 10 4.888 -0.495 -4.372 74 HD12 LEU 10 HD12 LEU 10 3.967 -2.034 -4.459 75 HD13 LEU 10 HD13 LEU 10 3.139 -0.524 -4.068 76 HD21 LEU 10 HD21 LEU 10 1.651 -1.346 -5.909 77 HD22 LEU 10 HD22 LEU 10 2.729 -2.578 -6.627 78 HD23 LEU 10 HD23 LEU 10 2.200 -1.155 -7.606 79 H ILE 11 H ILE 11 5.294 1.927 -8.696 80 HA ILE 11 HA ILE 11 7.119 -0.273 -8.961 81 HB ILE 11 HB ILE 11 6.881 2.284 -10.699 82 HG12 ILE 11 HG12 ILE 11 4.746 0.971 -10.620 83 HG13 ILE 11 HG13 ILE 11 5.530 0.855 -12.151 84 HG21 ILE 11 HG21 ILE 11 7.935 0.818 -12.465 85 HG22 ILE 11 HG22 ILE 11 8.260 -0.416 -11.239 86 HG23 ILE 11 HG23 ILE 11 9.035 1.181 -11.112 87 HD11 ILE 11 HD11 ILE 11 4.484 -1.296 -11.394 88 HD12 ILE 11 HD12 ILE 11 5.694 -1.378 -10.108 89 HD13 ILE 11 HD13 ILE 11 6.203 -1.448 -11.814 90 H ALA 12 H ALA 12 7.611 3.231 -8.239 91 HA ALA 12 HA ALA 12 10.496 3.068 -8.322 92 HB1 ALA 12 HB1 ALA 12 8.702 5.041 -6.860 93 HB2 ALA 12 HB2 ALA 12 9.293 5.209 -8.504 94 HB3 ALA 12 HB3 ALA 12 10.462 5.217 -7.188 95 H LEU 13 H LEU 13 8.040 2.729 -5.812 96 HA LEU 13 HA LEU 13 9.812 2.673 -3.579 97 HB2 LEU 13 HB2 LEU 13 7.295 3.034 -3.509 98 HB3 LEU 13 HB3 LEU 13 7.131 1.278 -3.823 99 HG LEU 13 HG LEU 13 8.281 0.852 -1.693 100 HD11 LEU 13 HD11 LEU 13 8.097 3.840 -1.283 101 HD12 LEU 13 HD12 LEU 13 9.571 2.905 -1.385 102 HD13 LEU 13 HD13 LEU 13 8.486 2.679 -0.040 103 HD21 LEU 13 HD21 LEU 13 5.867 2.732 -1.406 104 HD22 LEU 13 HD22 LEU 13 6.354 1.432 -0.270 105 HD23 LEU 13 HD23 LEU 13 5.770 1.021 -1.911 106 H CYS 14 H CYS 14 8.554 0.224 -5.783 107 HA CYS 14 HA CYS 14 9.714 -2.030 -4.447 108 HB2 CYS 14 HB2 CYS 14 9.005 -1.613 -7.345 109 HB3 CYS 14 HB3 CYS 14 9.422 -3.124 -6.604 110 HG CYS 14 HG CYS 14 6.832 -1.238 -5.804 111 H GLU 15 H GLU 15 10.859 0.220 -6.971 112 HA GLU 15 HA GLU 15 13.298 -1.212 -7.498 113 HB2 GLU 15 HB2 GLU 15 12.690 1.748 -7.709 114 HB3 GLU 15 HB3 GLU 15 14.184 1.007 -8.256 115 HG2 GLU 15 HG2 GLU 15 13.028 -0.386 -9.841 116 HG3 GLU 15 HG3 GLU 15 11.481 0.329 -9.392 117 H GLU 16 H GLU 16 12.492 1.314 -4.998 118 HA GLU 16 HA GLU 16 15.293 1.506 -4.339 119 HB2 GLU 16 HB2 GLU 16 14.801 2.712 -2.401 120 HB3 GLU 16 HB3 GLU 16 13.647 3.287 -3.619 121 HG2 GLU 16 HG2 GLU 16 11.964 1.890 -2.534 122 HG3 GLU 16 HG3 GLU 16 13.172 1.342 -1.360 123 H HIS 17 H HIS 17 12.633 -0.610 -3.288 124 HA HIS 17 HA HIS 17 14.168 -1.826 -1.147 125 HB2 HIS 17 HB2 HIS 17 11.839 -2.856 -2.792 126 HB3 HIS 17 HB3 HIS 17 12.562 -3.737 -1.477 127 HD1 HIS 17 HD1 HIS 17 12.577 -2.702 0.972 128 HD2 HIS 17 HD2 HIS 17 9.910 -0.978 -1.756 129 HE1 HIS 17 HE1 HIS 17 10.858 -1.356 2.313 130 HE2 HIS 17 HE2 HIS 17 9.265 -0.353 0.659 131 H ALA 18 H ALA 18 13.957 -2.398 -4.652 132 HA ALA 18 HA ALA 18 15.401 -4.831 -4.576 133 HB1 ALA 18 HB1 ALA 18 14.262 -4.059 -6.597 134 HB2 ALA 18 HB2 ALA 18 15.424 -2.700 -6.724 135 HB3 ALA 18 HB3 ALA 18 15.970 -4.364 -6.901 136 H LYS 19 H LYS 19 16.455 -1.420 -4.611 137 HA LYS 19 HA LYS 19 19.274 -2.032 -4.836 138 HB2 LYS 19 HB2 LYS 19 17.844 0.404 -3.685 139 HB3 LYS 19 HB3 LYS 19 19.587 0.333 -4.089 140 HG2 LYS 19 HG2 LYS 19 19.046 0.014 -6.420 141 HG3 LYS 19 HG3 LYS 19 17.311 0.047 -6.037 142 HD2 LYS 19 HD2 LYS 19 17.558 2.299 -5.084 143 HD3 LYS 19 HD3 LYS 19 19.280 2.310 -5.575 144 HE2 LYS 19 HE2 LYS 19 18.494 1.930 -7.960 145 HE3 LYS 19 HE3 LYS 19 16.813 2.032 -7.388 146 HZ1 LYS 19 HZ1 LYS 19 17.616 4.267 -6.488 147 HZ2 LYS 19 HZ2 LYS 19 17.303 4.125 -8.105 148 HZ3 LYS 19 HZ3 LYS 19 18.850 4.108 -7.569 149 H LYS 20 H LYS 20 17.097 -1.575 -2.167 150 HA LYS 20 HA LYS 20 19.111 -1.605 -0.066 151 HB2 LYS 20 HB2 LYS 20 16.137 -2.104 -0.034 152 HB3 LYS 20 HB3 LYS 20 17.119 -1.963 1.406 153 HG2 LYS 20 HG2 LYS 20 17.658 0.353 0.920 154 HG3 LYS 20 HG3 LYS 20 16.881 0.236 -0.651 155 HD2 LYS 20 HD2 LYS 20 15.373 1.390 0.759 156 HD3 LYS 20 HD3 LYS 20 14.711 -0.213 0.493 157 HE2 LYS 20 HE2 LYS 20 14.368 0.370 2.765 158 HE3 LYS 20 HE3 LYS 20 15.635 -0.910 2.689 159 HZ1 LYS 20 HZ1 LYS 20 17.301 0.723 3.060 160 HZ2 LYS 20 HZ2 LYS 20 16.180 0.895 4.230 161 HZ3 LYS 20 HZ3 LYS 20 16.213 1.970 3.011 162 H ASN 21 H ASN 21 17.477 -4.085 -1.894 163 HA ASN 21 HA ASN 21 18.302 -6.133 0.095 164 HB2 ASN 21 HB2 ASN 21 15.949 -5.879 -0.937 165 HB3 ASN 21 HB3 ASN 21 16.594 -6.554 -2.412 166 HD21 ASN 21 HD21 ASN 21 17.963 -8.712 -1.850 167 HD22 ASN 21 HD22 ASN 21 16.993 -9.839 -0.949 168 H GLN 22 H GLN 22 19.695 -4.493 -2.359 169 HA GLN 22 HA GLN 22 21.372 -4.935 -3.899 170 HB2 GLN 22 HB2 GLN 22 21.925 -7.377 -2.189 171 HB3 GLN 22 HB3 GLN 22 22.960 -6.681 -3.440 172 HG2 GLN 22 HG2 GLN 22 23.076 -4.538 -2.234 173 HG3 GLN 22 HG3 GLN 22 22.087 -5.276 -0.904 174 HE21 GLN 22 HE21 GLN 22 23.364 -5.765 0.754 175 HE22 GLN 22 HE22 GLN 22 25.012 -6.330 0.681 176 H ALA 23 H ALA 23 18.881 -5.512 -4.791 177 HA ALA 23 HA ALA 23 19.232 -8.081 -6.326 178 HB1 ALA 23 HB1 ALA 23 16.770 -6.864 -5.112 179 HB2 ALA 23 HB2 ALA 23 16.763 -8.175 -6.254 180 HB3 ALA 23 HB3 ALA 23 17.539 -8.415 -4.694 181 H HIS 24 H HIS 24 18.367 -7.999 -8.460 182 HA HIS 24 HA HIS 24 18.233 -5.191 -9.494 183 HB2 HIS 24 HB2 HIS 24 19.361 -5.901 -11.432 184 HB3 HIS 24 HB3 HIS 24 20.310 -6.477 -10.050 185 HD1 HIS 24 HD1 HIS 24 19.070 -7.463 -13.303 186 HD2 HIS 24 HD2 HIS 24 19.374 -9.447 -9.600 187 HE1 HIS 24 HE1 HIS 24 18.928 -10.011 -13.769 188 HE2 HIS 24 HE2 HIS 24 19.145 -11.139 -11.539 189 H LYS 25 H LYS 25 16.444 -8.056 -9.135 190 HA LYS 25 HA LYS 25 14.563 -7.190 -11.242 191 HB2 LYS 25 HB2 LYS 25 16.406 -8.766 -12.118 192 HB3 LYS 25 HB3 LYS 25 15.748 -9.984 -11.033 193 HG2 LYS 25 HG2 LYS 25 14.353 -8.765 -13.409 194 HG3 LYS 25 HG3 LYS 25 15.128 -10.351 -13.330 195 HD2 LYS 25 HD2 LYS 25 13.443 -11.035 -11.633 196 HD3 LYS 25 HD3 LYS 25 12.597 -9.469 -11.921 197 HE2 LYS 25 HE2 LYS 25 13.391 -11.594 -14.002 198 HE3 LYS 25 HE3 LYS 25 11.737 -11.334 -13.338 199 HZ1 LYS 25 HZ1 LYS 25 11.870 -10.125 -15.370 200 HZ2 LYS 25 HZ2 LYS 25 13.344 -9.452 -14.963 201 HZ3 LYS 25 HZ3 LYS 25 11.984 -8.978 -14.183 202 H ILE 26 H ILE 26 12.444 -7.516 -10.583 203 HA ILE 26 HA ILE 26 12.103 -8.948 -7.977 204 HB ILE 26 HB ILE 26 10.262 -6.804 -9.183 205 HG12 ILE 26 HG12 ILE 26 12.204 -6.681 -6.803 206 HG13 ILE 26 HG13 ILE 26 12.614 -6.065 -8.408 207 HG21 ILE 26 HG21 ILE 26 10.289 -8.281 -6.489 208 HG22 ILE 26 HG22 ILE 26 9.281 -6.909 -6.886 209 HG23 ILE 26 HG23 ILE 26 9.074 -8.431 -7.754 210 HD11 ILE 26 HD11 ILE 26 10.640 -4.541 -8.225 211 HD12 ILE 26 HD12 ILE 26 11.952 -4.229 -7.098 212 HD13 ILE 26 HD13 ILE 26 10.474 -5.035 -6.550 213 H GLU 27 H GLU 27 11.082 -10.917 -8.000 214 HA GLU 27 HA GLU 27 9.581 -11.697 -10.403 215 HB2 GLU 27 HB2 GLU 27 10.358 -13.141 -7.897 216 HB3 GLU 27 HB3 GLU 27 9.354 -13.845 -9.138 217 HG2 GLU 27 HG2 GLU 27 12.159 -12.808 -9.621 218 HG3 GLU 27 HG3 GLU 27 11.739 -14.504 -9.359 219 H ARG 28 H ARG 28 8.829 -10.788 -7.100 220 HA ARG 28 HA ARG 28 5.935 -10.860 -7.806 221 HB2 ARG 28 HB2 ARG 28 6.488 -13.074 -6.767 222 HB3 ARG 28 HB3 ARG 28 6.992 -12.198 -5.329 223 HG2 ARG 28 HG2 ARG 28 4.700 -11.261 -5.040 224 HG3 ARG 28 HG3 ARG 28 4.141 -12.142 -6.466 225 HD2 ARG 28 HD2 ARG 28 5.311 -13.370 -3.894 226 HD3 ARG 28 HD3 ARG 28 3.597 -13.263 -4.302 227 HE ARG 28 HE ARG 28 5.520 -15.167 -5.417 228 HH11 ARG 28 HH11 ARG 28 4.705 -16.872 -6.729 229 HH12 ARG 28 HH12 ARG 28 3.078 -16.723 -7.347 230 HH21 ARG 28 HH21 ARG 28 2.360 -13.692 -5.853 231 HH22 ARG 28 HH22 ARG 28 1.805 -15.007 -6.850 232 H VAL 29 H VAL 29 4.753 -9.251 -6.797 233 HA VAL 29 HA VAL 29 6.047 -7.782 -4.514 234 HB VAL 29 HB VAL 29 4.436 -6.624 -6.884 235 HG11 VAL 29 HG11 VAL 29 5.676 -5.068 -4.620 236 HG12 VAL 29 HG12 VAL 29 4.542 -4.525 -5.887 237 HG13 VAL 29 HG13 VAL 29 3.965 -5.591 -4.641 238 HG21 VAL 29 HG21 VAL 29 7.304 -6.143 -6.022 239 HG22 VAL 29 HG22 VAL 29 6.474 -5.282 -7.352 240 HG23 VAL 29 HG23 VAL 29 6.805 -7.061 -7.476 241 H VAL 30 H VAL 30 4.559 -7.870 -2.730 242 HA VAL 30 HA VAL 30 1.683 -8.283 -3.500 243 HB VAL 30 HB VAL 30 1.234 -9.535 -1.423 244 HG11 VAL 30 HG11 VAL 30 1.959 -10.726 -3.573 245 HG12 VAL 30 HG12 VAL 30 3.579 -10.841 -2.871 246 HG13 VAL 30 HG13 VAL 30 2.212 -11.647 -2.083 247 HG21 VAL 30 HG21 VAL 30 4.241 -9.542 -0.998 248 HG22 VAL 30 HG22 VAL 30 3.006 -10.410 -0.044 249 HG23 VAL 30 HG23 VAL 30 3.015 -8.651 -0.033 250 H VAL 31 H VAL 31 0.270 -6.908 -2.523 251 HA VAL 31 HA VAL 31 1.538 -4.806 -0.809 252 HB VAL 31 HB VAL 31 0.049 -3.138 -1.912 253 HG11 VAL 31 HG11 VAL 31 2.302 -3.367 -2.736 254 HG12 VAL 31 HG12 VAL 31 1.244 -3.031 -4.081 255 HG13 VAL 31 HG13 VAL 31 1.841 -4.664 -3.879 256 HG21 VAL 31 HG21 VAL 31 -1.746 -4.671 -2.675 257 HG22 VAL 31 HG22 VAL 31 -1.142 -3.651 -3.957 258 HG23 VAL 31 HG23 VAL 31 -0.644 -5.312 -3.919 259 H GLY 32 H GLY 32 0.055 -3.530 0.428 260 HA2 GLY 32 HA2 GLY 32 -2.408 -5.091 1.160 261 HA3 GLY 32 HA3 GLY 32 -1.467 -4.125 2.313 262 H ILE 33 H ILE 33 -4.236 -3.913 0.455 263 HA ILE 33 HA ILE 33 -3.861 -0.922 0.103 264 HB ILE 33 HB ILE 33 -5.731 -2.789 -1.445 265 HG12 ILE 33 HG12 ILE 33 -3.363 -1.061 -2.340 266 HG13 ILE 33 HG13 ILE 33 -3.236 -2.804 -2.126 267 HG21 ILE 33 HG21 ILE 33 -6.444 -0.802 -2.653 268 HG22 ILE 33 HG22 ILE 33 -5.355 0.256 -1.698 269 HG23 ILE 33 HG23 ILE 33 -6.795 -0.546 -0.956 270 HD11 ILE 33 HD11 ILE 33 -5.282 -2.802 -3.818 271 HD12 ILE 33 HD12 ILE 33 -4.650 -1.203 -4.253 272 HD13 ILE 33 HD13 ILE 33 -3.618 -2.642 -4.393 273 H GLY 34 H GLY 34 -5.038 0.220 1.412 274 HA2 GLY 34 HA2 GLY 34 -6.353 -0.960 3.575 275 HA3 GLY 34 HA3 GLY 34 -6.386 0.730 3.153 276 H GLU 35 H GLU 35 -8.335 -0.971 4.350 277 HA GLU 35 HA GLU 35 -10.484 -1.563 2.595 278 HB2 GLU 35 HB2 GLU 35 -11.735 -1.897 4.651 279 HB3 GLU 35 HB3 GLU 35 -10.116 -2.560 4.840 280 HG2 GLU 35 HG2 GLU 35 -9.406 -0.487 6.045 281 HG3 GLU 35 HG3 GLU 35 -11.086 0.074 5.923 282 H ARG 36 H ARG 36 -9.429 1.510 3.765 283 HA ARG 36 HA ARG 36 -12.108 2.691 3.057 284 HB2 ARG 36 HB2 ARG 36 -9.868 3.927 4.702 285 HB3 ARG 36 HB3 ARG 36 -11.389 4.693 4.297 286 HG2 ARG 36 HG2 ARG 36 -12.609 3.010 5.744 287 HG3 ARG 36 HG3 ARG 36 -11.019 2.320 6.150 288 HD2 ARG 36 HD2 ARG 36 -10.271 4.632 6.768 289 HD3 ARG 36 HD3 ARG 36 -11.912 5.197 6.557 290 HE ARG 36 HE ARG 36 -11.813 3.064 8.435 291 HH11 ARG 36 HH11 ARG 36 -11.637 3.465 10.671 292 HH12 ARG 36 HH12 ARG 36 -11.278 5.061 11.265 293 HH21 ARG 36 HH21 ARG 36 -11.067 6.501 8.113 294 HH22 ARG 36 HH22 ARG 36 -10.964 6.752 9.824 295 H SER 37 H SER 37 -9.539 1.853 1.455 296 HA SER 37 HA SER 37 -8.450 4.358 0.645 297 HB2 SER 37 HB2 SER 37 -7.336 3.127 -1.109 298 HB3 SER 37 HB3 SER 37 -7.263 2.216 0.417 299 HG SER 37 HG SER 37 -8.707 0.764 -0.364 300 H ALA 38 H ALA 38 -8.677 5.470 -1.321 301 HA ALA 38 HA ALA 38 -11.390 5.576 -2.389 302 HB1 ALA 38 HB1 ALA 38 -8.831 6.949 -3.202 303 HB2 ALA 38 HB2 ALA 38 -10.015 7.633 -2.116 304 HB3 ALA 38 HB3 ALA 38 -10.472 7.331 -3.819 305 H MET 39 H MET 39 -8.730 3.615 -2.887 306 HA MET 39 HA MET 39 -8.526 3.656 -5.717 307 HB2 MET 39 HB2 MET 39 -7.543 1.739 -3.598 308 HB3 MET 39 HB3 MET 39 -6.953 1.759 -5.254 309 HG2 MET 39 HG2 MET 39 -6.080 4.060 -4.975 310 HG3 MET 39 HG3 MET 39 -6.737 4.119 -3.318 311 HE1 MET 39 HE1 MET 39 -3.219 1.553 -4.474 312 HE2 MET 39 HE2 MET 39 -4.797 1.397 -5.277 313 HE3 MET 39 HE3 MET 39 -3.833 2.912 -5.445 314 H ASP 40 H ASP 40 -9.267 2.350 -7.275 315 HA ASP 40 HA ASP 40 -11.143 0.145 -6.581 316 HB2 ASP 40 HB2 ASP 40 -10.331 1.380 -9.240 317 HB3 ASP 40 HB3 ASP 40 -11.334 -0.078 -9.102 318 H LYS 41 H LYS 41 -10.416 -1.899 -6.474 319 HA LYS 41 HA LYS 41 -7.597 -2.441 -6.818 320 HB2 LYS 41 HB2 LYS 41 -10.013 -4.209 -6.416 321 HB3 LYS 41 HB3 LYS 41 -8.334 -4.797 -6.358 322 HG2 LYS 41 HG2 LYS 41 -7.770 -3.387 -4.473 323 HG3 LYS 41 HG3 LYS 41 -9.377 -2.624 -4.453 324 HD2 LYS 41 HD2 LYS 41 -9.381 -4.285 -2.756 325 HD3 LYS 41 HD3 LYS 41 -10.388 -4.853 -4.087 326 HE2 LYS 41 HE2 LYS 41 -8.619 -6.316 -4.883 327 HE3 LYS 41 HE3 LYS 41 -7.613 -5.828 -3.505 328 HZ1 LYS 41 HZ1 LYS 41 -8.814 -7.821 -2.965 329 HZ2 LYS 41 HZ2 LYS 41 -9.347 -6.608 -2.000 330 HZ3 LYS 41 HZ3 LYS 41 -10.263 -7.102 -3.283 331 H SER 42 H SER 42 -10.386 -2.802 -8.898 332 HA SER 42 HA SER 42 -9.037 -4.654 -10.724 333 HB2 SER 42 HB2 SER 42 -11.511 -4.392 -10.693 334 HB3 SER 42 HB3 SER 42 -11.316 -2.731 -11.285 335 HG SER 42 HG SER 42 -11.616 -3.811 -13.125 336 H LEU 43 H LEU 43 -9.332 -1.095 -10.558 337 HA LEU 43 HA LEU 43 -7.929 -0.795 -13.085 338 HB2 LEU 43 HB2 LEU 43 -8.353 1.199 -10.796 339 HB3 LEU 43 HB3 LEU 43 -7.746 1.547 -12.439 340 HG LEU 43 HG LEU 43 -10.478 0.516 -11.751 341 HD11 LEU 43 HD11 LEU 43 -9.494 3.247 -12.576 342 HD12 LEU 43 HD12 LEU 43 -9.983 2.786 -10.935 343 HD13 LEU 43 HD13 LEU 43 -11.174 2.779 -12.225 344 HD21 LEU 43 HD21 LEU 43 -11.000 1.232 -14.185 345 HD22 LEU 43 HD22 LEU 43 -9.958 -0.166 -14.027 346 HD23 LEU 43 HD23 LEU 43 -9.244 1.415 -14.423 347 H PHE 44 H PHE 44 -7.107 -1.176 -9.635 348 HA PHE 44 HA PHE 44 -4.442 -0.071 -9.804 349 HB2 PHE 44 HB2 PHE 44 -5.664 -0.571 -7.691 350 HB3 PHE 44 HB3 PHE 44 -5.462 -2.307 -8.016 351 HD1 PHE 44 HD1 PHE 44 -3.723 0.810 -7.210 352 HD2 PHE 44 HD2 PHE 44 -3.324 -3.444 -7.676 353 HE1 PHE 44 HE1 PHE 44 -1.576 0.847 -5.917 354 HE2 PHE 44 HE2 PHE 44 -1.235 -3.391 -6.382 355 HZ PHE 44 HZ PHE 44 -0.384 -1.282 -5.496 356 H VAL 45 H VAL 45 -5.679 -3.452 -10.275 357 HA VAL 45 HA VAL 45 -3.020 -4.344 -10.765 358 HB VAL 45 HB VAL 45 -4.016 -6.533 -11.514 359 HG11 VAL 45 HG11 VAL 45 -3.785 -5.909 -9.028 360 HG12 VAL 45 HG12 VAL 45 -5.531 -5.535 -9.035 361 HG13 VAL 45 HG13 VAL 45 -4.940 -7.216 -9.400 362 HG21 VAL 45 HG21 VAL 45 -6.423 -6.893 -11.535 363 HG22 VAL 45 HG22 VAL 45 -6.006 -5.606 -12.693 364 HG23 VAL 45 HG23 VAL 45 -6.723 -5.163 -11.118 365 H SER 46 H SER 46 -5.470 -2.813 -12.701 366 HA SER 46 HA SER 46 -4.475 -3.688 -15.285 367 HB2 SER 46 HB2 SER 46 -6.717 -2.812 -14.984 368 HB3 SER 46 HB3 SER 46 -6.038 -1.215 -14.558 369 HG SER 46 HG SER 46 -5.970 -2.615 -17.013 370 H ALA 47 H ALA 47 -3.977 -0.921 -13.124 371 HA ALA 47 HA ALA 47 -2.166 0.498 -14.808 372 HB1 ALA 47 HB1 ALA 47 -3.417 1.631 -13.068 373 HB2 ALA 47 HB2 ALA 47 -1.690 1.738 -12.677 374 HB3 ALA 47 HB3 ALA 47 -2.717 0.594 -11.838 375 H PHE 48 H PHE 48 -1.727 -2.085 -12.340 376 HA PHE 48 HA PHE 48 1.111 -1.633 -12.068 377 HB2 PHE 48 HB2 PHE 48 -0.204 -3.020 -10.482 378 HB3 PHE 48 HB3 PHE 48 -0.321 -4.261 -11.704 379 HD1 PHE 48 HD1 PHE 48 1.902 -2.526 -9.375 380 HD2 PHE 48 HD2 PHE 48 1.684 -5.678 -12.307 381 HE1 PHE 48 HE1 PHE 48 4.053 -3.413 -8.551 382 HE2 PHE 48 HE2 PHE 48 3.845 -6.599 -11.463 383 HZ PHE 48 HZ PHE 48 5.027 -5.450 -9.575 384 H GLU 49 H GLU 49 -0.860 -3.611 -14.252 385 HA GLU 49 HA GLU 49 1.470 -4.720 -15.587 386 HB2 GLU 49 HB2 GLU 49 -1.407 -4.353 -16.495 387 HB3 GLU 49 HB3 GLU 49 -0.149 -5.231 -17.407 388 HG2 GLU 49 HG2 GLU 49 0.122 -6.759 -15.459 389 HG3 GLU 49 HG3 GLU 49 -1.132 -5.951 -14.607 390 H THR 50 H THR 50 -0.421 -1.722 -16.004 391 HA THR 50 HA THR 50 0.786 -1.086 -18.523 392 HB THR 50 HB THR 50 -0.279 0.849 -16.403 393 HG1 THR 50 HG1 THR 50 -1.834 -0.798 -17.011 394 HG21 THR 50 HG21 THR 50 -0.894 2.171 -18.394 395 HG22 THR 50 HG22 THR 50 0.047 1.093 -19.405 396 HG23 THR 50 HG23 THR 50 0.857 2.035 -18.125 397 H PHE 51 H PHE 51 1.650 -0.218 -15.136 398 HA PHE 51 HA PHE 51 3.911 1.385 -16.093 399 HB2 PHE 51 HB2 PHE 51 3.042 0.735 -13.266 400 HB3 PHE 51 HB3 PHE 51 4.414 1.730 -13.690 401 HD1 PHE 51 HD1 PHE 51 0.819 1.811 -13.215 402 HD2 PHE 51 HD2 PHE 51 4.187 3.772 -15.003 403 HE1 PHE 51 HE1 PHE 51 -0.428 3.932 -13.311 404 HE2 PHE 51 HE2 PHE 51 2.919 5.894 -15.107 405 HZ PHE 51 HZ PHE 51 0.587 5.969 -14.202 406 H ARG 52 H ARG 52 3.558 -1.963 -15.039 407 HA ARG 52 HA ARG 52 6.171 -2.093 -13.891 408 HB2 ARG 52 HB2 ARG 52 5.992 -4.449 -13.939 409 HB3 ARG 52 HB3 ARG 52 4.410 -3.769 -13.492 410 HG2 ARG 52 HG2 ARG 52 3.608 -4.171 -15.773 411 HG3 ARG 52 HG3 ARG 52 5.209 -4.868 -16.207 412 HD2 ARG 52 HD2 ARG 52 4.890 -6.611 -14.440 413 HD3 ARG 52 HD3 ARG 52 3.263 -5.909 -14.127 414 HE ARG 52 HE ARG 52 3.479 -6.444 -16.903 415 HH11 ARG 52 HH11 ARG 52 3.187 -8.328 -13.861 416 HH12 ARG 52 HH12 ARG 52 2.433 -9.647 -14.696 417 HH21 ARG 52 HH21 ARG 52 2.508 -8.189 -17.788 418 HH22 ARG 52 HH22 ARG 52 2.000 -9.544 -16.826 419 H GLU 53 H GLU 53 5.182 -2.183 -17.217 420 HA GLU 53 HA GLU 53 7.526 -3.404 -18.274 421 HB2 GLU 53 HB2 GLU 53 6.768 -2.654 -20.404 422 HB3 GLU 53 HB3 GLU 53 5.336 -3.195 -19.499 423 HG2 GLU 53 HG2 GLU 53 4.788 -0.861 -18.960 424 HG3 GLU 53 HG3 GLU 53 6.195 -0.312 -19.919 425 H GLU 54 H GLU 54 6.794 -0.225 -17.065 426 HA GLU 54 HA GLU 54 8.658 1.251 -18.604 427 HB2 GLU 54 HB2 GLU 54 7.541 1.749 -15.863 428 HB3 GLU 54 HB3 GLU 54 8.419 2.929 -16.804 429 HG2 GLU 54 HG2 GLU 54 5.903 1.639 -17.790 430 HG3 GLU 54 HG3 GLU 54 5.889 3.060 -16.807 431 H SER 55 H SER 55 9.135 -0.992 -16.062 432 HA SER 55 HA SER 55 11.958 -0.122 -15.901 433 HB2 SER 55 HB2 SER 55 10.824 0.786 -13.934 434 HB3 SER 55 HB3 SER 55 10.213 -0.842 -13.523 435 HG SER 55 HG SER 55 12.286 0.087 -12.564 436 H LEU 56 H LEU 56 13.365 -1.748 -16.158 437 HA LEU 56 HA LEU 56 12.467 -4.383 -16.855 438 HB2 LEU 56 HB2 LEU 56 14.614 -3.202 -17.433 439 HB3 LEU 56 HB3 LEU 56 15.190 -3.487 -15.796 440 HG LEU 56 HG LEU 56 16.264 -4.797 -17.504 441 HD11 LEU 56 HD11 LEU 56 15.958 -5.723 -15.181 442 HD12 LEU 56 HD12 LEU 56 16.297 -6.884 -16.431 443 HD13 LEU 56 HD13 LEU 56 14.638 -6.701 -15.791 444 HD21 LEU 56 HD21 LEU 56 15.116 -6.597 -18.662 445 HD22 LEU 56 HD22 LEU 56 14.345 -5.061 -19.021 446 HD23 LEU 56 HD23 LEU 56 13.563 -6.167 -17.888 447 H VAL 57 H VAL 57 13.454 -2.862 -13.899 448 HA VAL 57 HA VAL 57 14.063 -5.134 -12.341 449 HB VAL 57 HB VAL 57 12.883 -2.430 -11.478 450 HG11 VAL 57 HG11 VAL 57 14.345 -4.555 -9.873 451 HG12 VAL 57 HG12 VAL 57 13.931 -2.893 -9.292 452 HG13 VAL 57 HG13 VAL 57 12.622 -4.039 -9.670 453 HG21 VAL 57 HG21 VAL 57 15.808 -3.316 -11.520 454 HG22 VAL 57 HG22 VAL 57 15.180 -1.706 -11.062 455 HG23 VAL 57 HG23 VAL 57 15.078 -2.273 -12.738 456 H CYS 58 H CYS 58 10.972 -3.498 -12.915 457 HA CYS 58 HA CYS 58 9.651 -5.523 -11.150 458 HB2 CYS 58 HB2 CYS 58 8.635 -2.862 -12.214 459 HB3 CYS 58 HB3 CYS 58 7.782 -3.893 -11.085 460 HG CYS 58 HG CYS 58 8.733 -1.718 -9.872 461 H LYS 59 H LYS 59 10.239 -5.266 -14.396 462 HA LYS 59 HA LYS 59 7.708 -5.355 -15.615 463 HB2 LYS 59 HB2 LYS 59 9.930 -4.979 -16.707 464 HB3 LYS 59 HB3 LYS 59 10.266 -6.684 -16.545 465 HG2 LYS 59 HG2 LYS 59 8.454 -7.211 -18.037 466 HG3 LYS 59 HG3 LYS 59 7.909 -5.545 -18.055 467 HD2 LYS 59 HD2 LYS 59 9.094 -5.841 -20.055 468 HD3 LYS 59 HD3 LYS 59 10.109 -4.911 -18.967 469 HE2 LYS 59 HE2 LYS 59 11.388 -6.981 -18.469 470 HE3 LYS 59 HE3 LYS 59 10.316 -7.902 -19.583 471 HZ1 LYS 59 HZ1 LYS 59 12.383 -7.060 -20.638 472 HZ2 LYS 59 HZ2 LYS 59 11.870 -5.485 -20.414 473 HZ3 LYS 59 HZ3 LYS 59 11.006 -6.527 -21.364 474 H ASP 60 H ASP 60 9.461 -8.219 -14.291 475 HA ASP 60 HA ASP 60 7.240 -9.871 -15.384 476 HB2 ASP 60 HB2 ASP 60 9.899 -10.638 -14.247 477 HB3 ASP 60 HB3 ASP 60 8.655 -11.810 -14.743 478 H ALA 61 H ALA 61 7.430 -8.056 -12.831 479 HA ALA 61 HA ALA 61 7.215 -9.863 -10.607 480 HB1 ALA 61 HB1 ALA 61 6.274 -7.897 -9.397 481 HB2 ALA 61 HB2 ALA 61 6.238 -7.014 -10.950 482 HB3 ALA 61 HB3 ALA 61 7.812 -7.537 -10.267 483 H ILE 62 H ILE 62 5.389 -10.537 -9.445 484 HA ILE 62 HA ILE 62 2.817 -10.591 -10.925 485 HB ILE 62 HB ILE 62 3.842 -12.333 -8.609 486 HG12 ILE 62 HG12 ILE 62 3.371 -13.141 -11.531 487 HG13 ILE 62 HG13 ILE 62 4.971 -12.695 -10.881 488 HG21 ILE 62 HG21 ILE 62 1.339 -12.822 -10.343 489 HG22 ILE 62 HG22 ILE 62 1.297 -11.990 -8.777 490 HG23 ILE 62 HG23 ILE 62 1.821 -13.662 -8.856 491 HD11 ILE 62 HD11 ILE 62 4.702 -15.132 -10.981 492 HD12 ILE 62 HD12 ILE 62 3.288 -15.049 -9.950 493 HD13 ILE 62 HD13 ILE 62 4.865 -14.571 -9.298 494 H LEU 63 H LEU 63 1.147 -9.344 -10.078 495 HA LEU 63 HA LEU 63 1.802 -8.152 -7.422 496 HB2 LEU 63 HB2 LEU 63 1.524 -6.704 -9.378 497 HB3 LEU 63 HB3 LEU 63 -0.102 -7.324 -9.644 498 HG LEU 63 HG LEU 63 -0.019 -5.059 -8.707 499 HD11 LEU 63 HD11 LEU 63 -1.778 -6.994 -8.017 500 HD12 LEU 63 HD12 LEU 63 -1.936 -5.333 -7.542 501 HD13 LEU 63 HD13 LEU 63 -1.221 -6.484 -6.399 502 HD21 LEU 63 HD21 LEU 63 1.986 -5.197 -7.357 503 HD22 LEU 63 HD22 LEU 63 1.191 -6.344 -6.253 504 HD23 LEU 63 HD23 LEU 63 0.631 -4.665 -6.365 505 H ASP 64 H ASP 64 0.532 -8.457 -5.687 506 HA ASP 64 HA ASP 64 -2.061 -9.884 -6.043 507 HB2 ASP 64 HB2 ASP 64 -0.201 -11.505 -5.656 508 HB3 ASP 64 HB3 ASP 64 -0.008 -10.761 -4.078 509 H ILE 65 H ILE 65 -3.591 -8.809 -4.885 510 HA ILE 65 HA ILE 65 -2.685 -6.806 -2.879 511 HB ILE 65 HB ILE 65 -5.450 -7.272 -4.153 512 HG12 ILE 65 HG12 ILE 65 -3.347 -5.126 -4.849 513 HG13 ILE 65 HG13 ILE 65 -3.657 -6.597 -5.777 514 HG21 ILE 65 HG21 ILE 65 -5.876 -4.907 -3.237 515 HG22 ILE 65 HG22 ILE 65 -4.305 -4.969 -2.409 516 HG23 ILE 65 HG23 ILE 65 -5.617 -6.109 -1.986 517 HD11 ILE 65 HD11 ILE 65 -6.026 -5.818 -6.192 518 HD12 ILE 65 HD12 ILE 65 -5.598 -4.273 -5.433 519 HD13 ILE 65 HD13 ILE 65 -4.783 -4.813 -6.898 520 H VAL 66 H VAL 66 -3.002 -6.947 -0.785 521 HA VAL 66 HA VAL 66 -4.829 -9.024 0.327 522 HB VAL 66 HB VAL 66 -2.395 -7.751 1.601 523 HG11 VAL 66 HG11 VAL 66 -2.825 -9.365 3.463 524 HG12 VAL 66 HG12 VAL 66 -4.310 -9.911 2.621 525 HG13 VAL 66 HG13 VAL 66 -4.192 -8.242 3.232 526 HG21 VAL 66 HG21 VAL 66 -2.934 -10.536 0.466 527 HG22 VAL 66 HG22 VAL 66 -1.526 -10.158 1.491 528 HG23 VAL 66 HG23 VAL 66 -1.686 -9.385 -0.041 529 H ASP 67 H ASP 67 -6.642 -8.168 1.233 530 HA ASP 67 HA ASP 67 -6.969 -5.280 1.422 531 HB2 ASP 67 HB2 ASP 67 -8.646 -7.557 2.511 532 HB3 ASP 67 HB3 ASP 67 -9.108 -5.825 2.569 533 H GLU 68 H GLU 68 -6.660 -3.946 3.221 534 HA GLU 68 HA GLU 68 -6.034 -5.324 5.786 535 HB2 GLU 68 HB2 GLU 68 -4.480 -2.993 4.601 536 HB3 GLU 68 HB3 GLU 68 -4.264 -3.655 6.213 537 HG2 GLU 68 HG2 GLU 68 -3.746 -5.846 5.217 538 HG3 GLU 68 HG3 GLU 68 -3.718 -5.071 3.629 539 H LYS 69 H LYS 69 -6.184 -4.295 7.664 540 HA LYS 69 HA LYS 69 -8.334 -2.360 7.940 541 HB2 LYS 69 HB2 LYS 69 -6.538 -3.813 9.918 542 HB3 LYS 69 HB3 LYS 69 -7.682 -2.535 10.383 543 HG2 LYS 69 HG2 LYS 69 -8.872 -4.461 10.814 544 HG3 LYS 69 HG3 LYS 69 -9.525 -3.841 9.318 545 HD2 LYS 69 HD2 LYS 69 -9.392 -6.191 9.010 546 HD3 LYS 69 HD3 LYS 69 -8.091 -5.526 8.032 547 HE2 LYS 69 HE2 LYS 69 -6.473 -6.093 9.881 548 HE3 LYS 69 HE3 LYS 69 -7.798 -6.760 10.852 549 HZ1 LYS 69 HZ1 LYS 69 -7.009 -7.793 8.215 550 HZ2 LYS 69 HZ2 LYS 69 -8.129 -8.445 9.225 551 HZ3 LYS 69 HZ3 LYS 69 -6.543 -8.446 9.644 552 H VAL 70 H VAL 70 -8.221 -0.392 9.018 553 HA VAL 70 HA VAL 70 -5.913 1.201 8.219 554 HB VAL 70 HB VAL 70 -7.229 3.119 8.953 555 HG11 VAL 70 HG11 VAL 70 -7.525 1.900 6.723 556 HG12 VAL 70 HG12 VAL 70 -9.070 1.293 7.343 557 HG13 VAL 70 HG13 VAL 70 -8.809 3.029 7.212 558 HG21 VAL 70 HG21 VAL 70 -8.453 1.911 10.850 559 HG22 VAL 70 HG22 VAL 70 -9.426 2.960 9.837 560 HG23 VAL 70 HG23 VAL 70 -9.507 1.213 9.629 561 H GLU 71 H GLU 71 -4.913 2.682 9.539 562 HA GLU 71 HA GLU 71 -4.900 2.142 12.465 563 HB2 GLU 71 HB2 GLU 71 -2.667 1.467 11.385 564 HB3 GLU 71 HB3 GLU 71 -2.559 3.119 10.752 565 HG2 GLU 71 HG2 GLU 71 -2.567 4.004 13.026 566 HG3 GLU 71 HG3 GLU 71 -2.617 2.380 13.706 567 H LEU 72 H LEU 72 -5.133 4.061 13.651 568 HA LEU 72 HA LEU 72 -5.677 6.505 12.016 569 HB2 LEU 72 HB2 LEU 72 -7.110 5.585 14.511 570 HB3 LEU 72 HB3 LEU 72 -7.383 7.092 13.671 571 HG LEU 72 HG LEU 72 -7.967 4.371 12.477 572 HD11 LEU 72 HD11 LEU 72 -9.728 6.559 13.669 573 HD12 LEU 72 HD12 LEU 72 -9.372 4.994 14.431 574 HD13 LEU 72 HD13 LEU 72 -10.314 5.063 12.936 575 HD21 LEU 72 HD21 LEU 72 -7.506 6.104 10.782 576 HD22 LEU 72 HD22 LEU 72 -8.702 7.184 11.530 577 HD23 LEU 72 HD23 LEU 72 -9.195 5.642 10.811 578 H GLU 73 H GLU 73 -5.329 8.492 12.944 579 HA GLU 73 HA GLU 73 -3.884 8.541 15.621 580 HB2 GLU 73 HB2 GLU 73 -2.202 8.950 13.783 581 HB3 GLU 73 HB3 GLU 73 -3.264 10.147 13.090 582 HG2 GLU 73 HG2 GLU 73 -2.997 11.586 15.068 583 HG3 GLU 73 HG3 GLU 73 -1.879 10.393 15.753 584 H CYS 74 H CYS 74 -4.555 10.290 16.814 585 HA CYS 74 HA CYS 74 -7.008 11.688 15.845 586 HB2 CYS 74 HB2 CYS 74 -7.150 10.295 17.947 587 HB3 CYS 74 HB3 CYS 74 -5.866 11.303 18.658 588 H LYS 75 H LYS 75 -6.891 13.959 15.659 589 HA LYS 75 HA LYS 75 -4.257 15.222 15.521 590 HB2 LYS 75 HB2 LYS 75 -7.048 16.453 15.662 591 HB3 LYS 75 HB3 LYS 75 -5.577 17.344 15.387 592 HG2 LYS 75 HG2 LYS 75 -5.162 15.892 13.358 593 HG3 LYS 75 HG3 LYS 75 -6.729 15.167 13.641 594 HD2 LYS 75 HD2 LYS 75 -7.015 16.855 11.978 595 HD3 LYS 75 HD3 LYS 75 -7.740 17.482 13.485 596 HE2 LYS 75 HE2 LYS 75 -5.638 18.778 13.902 597 HE3 LYS 75 HE3 LYS 75 -4.981 18.128 12.355 598 HZ1 LYS 75 HZ1 LYS 75 -5.857 20.247 12.004 599 HZ2 LYS 75 HZ2 LYS 75 -7.288 19.879 12.694 600 HZ3 LYS 75 HZ3 LYS 75 -6.842 19.171 11.272 601 H ASP 76 H ASP 76 -3.524 16.918 17.160 602 HA ASP 76 HA ASP 76 -2.584 15.196 18.873 603 HB2 ASP 76 HB2 ASP 76 -1.713 16.995 20.256 604 HB3 ASP 76 HB3 ASP 76 -1.636 17.439 18.563 605 H CYS 77 H CYS 77 -3.588 13.866 19.682 606 HA CYS 77 HA CYS 77 -4.365 13.971 22.508 607 HB2 CYS 77 HB2 CYS 77 -6.607 13.961 21.328 608 HB3 CYS 77 HB3 CYS 77 -5.910 12.864 20.112 609 H SER 78 H SER 78 -2.453 12.515 22.951 610 HA SER 78 HA SER 78 -1.406 11.106 20.621 611 HB2 SER 78 HB2 SER 78 0.102 12.097 22.247 612 HB3 SER 78 HB3 SER 78 -0.472 11.014 23.485 613 HG SER 78 HG SER 78 1.424 10.166 22.521 614 H HIS 79 H HIS 79 -2.584 9.518 19.874 615 HA HIS 79 HA HIS 79 -3.008 7.243 21.624 616 HB2 HIS 79 HB2 HIS 79 -4.967 8.706 21.706 617 HB3 HIS 79 HB3 HIS 79 -5.315 8.218 20.099 618 HD1 HIS 79 HD1 HIS 79 -4.493 6.507 23.447 619 HD2 HIS 79 HD2 HIS 79 -6.796 5.928 20.001 620 HE1 HIS 79 HE1 HIS 79 -5.681 4.283 23.780 621 HE2 HIS 79 HE2 HIS 79 -7.027 3.894 21.637 622 H VAL 80 H VAL 80 -1.211 7.326 19.032 623 HA VAL 80 HA VAL 80 -3.049 6.428 17.074 624 HB VAL 80 HB VAL 80 -0.009 6.131 17.093 625 HG11 VAL 80 HG11 VAL 80 -0.201 6.151 14.573 626 HG12 VAL 80 HG12 VAL 80 -0.907 4.721 15.318 627 HG13 VAL 80 HG13 VAL 80 -1.981 6.060 14.768 628 HG21 VAL 80 HG21 VAL 80 -0.103 8.179 15.627 629 HG22 VAL 80 HG22 VAL 80 -1.774 8.343 16.204 630 HG23 VAL 80 HG23 VAL 80 -0.446 8.411 17.359 631 H PHE 81 H PHE 81 -3.718 4.622 16.369 632 HA PHE 81 HA PHE 81 -2.870 2.010 17.545 633 HB2 PHE 81 HB2 PHE 81 -4.922 1.767 18.814 634 HB3 PHE 81 HB3 PHE 81 -4.239 3.325 19.218 635 HD1 PHE 81 HD1 PHE 81 -5.274 5.401 17.572 636 HD2 PHE 81 HD2 PHE 81 -7.197 1.679 18.367 637 HE1 PHE 81 HE1 PHE 81 -7.469 6.464 17.070 638 HE2 PHE 81 HE2 PHE 81 -9.391 2.689 17.868 639 HZ PHE 81 HZ PHE 81 -9.535 5.122 17.183 640 H LYS 82 H LYS 82 -4.569 0.316 16.852 641 HA LYS 82 HA LYS 82 -5.821 1.081 14.226 642 HB2 LYS 82 HB2 LYS 82 -5.019 -1.687 15.265 643 HB3 LYS 82 HB3 LYS 82 -6.069 -1.396 13.865 644 HG2 LYS 82 HG2 LYS 82 -3.966 -1.920 13.000 645 HG3 LYS 82 HG3 LYS 82 -4.085 -0.205 12.751 646 HD2 LYS 82 HD2 LYS 82 -2.679 0.142 14.826 647 HD3 LYS 82 HD3 LYS 82 -2.591 -1.657 14.990 648 HE2 LYS 82 HE2 LYS 82 -1.479 -1.863 12.867 649 HE3 LYS 82 HE3 LYS 82 -1.521 -0.111 12.598 650 HZ1 LYS 82 HZ1 LYS 82 -0.262 -1.328 14.966 651 HZ2 LYS 82 HZ2 LYS 82 -0.114 0.259 14.461 652 HZ3 LYS 82 HZ3 LYS 82 0.570 -0.988 13.578 653 HA PRO 83 HA PRO 83 -9.450 0.677 16.821 654 HB2 PRO 83 HB2 PRO 83 -11.423 1.135 14.938 655 HB3 PRO 83 HB3 PRO 83 -10.391 2.440 15.550 656 HG2 PRO 83 HG2 PRO 83 -10.052 0.817 13.027 657 HG3 PRO 83 HG3 PRO 83 -10.087 2.581 13.182 658 HD2 PRO 83 HD2 PRO 83 -7.745 1.202 13.105 659 HD3 PRO 83 HD3 PRO 83 -7.883 2.575 14.218 660 H ASN 84 H ASN 84 -11.056 -1.041 17.234 661 HA ASN 84 HA ASN 84 -10.604 -3.415 15.455 662 HB2 ASN 84 HB2 ASN 84 -10.252 -3.612 17.961 663 HB3 ASN 84 HB3 ASN 84 -11.942 -3.295 18.205 664 HD21 ASN 84 HD21 ASN 84 -9.629 -5.662 17.491 665 HD22 ASN 84 HD22 ASN 84 -10.742 -6.962 17.239 666 H ALA 85 H ALA 85 -13.068 -1.272 16.792 667 HA ALA 85 HA ALA 85 -15.376 -2.622 15.634 668 HB1 ALA 85 HB1 ALA 85 -14.961 0.081 17.000 669 HB2 ALA 85 HB2 ALA 85 -15.578 -1.387 17.759 670 HB3 ALA 85 HB3 ALA 85 -16.527 -0.559 16.532 671 H LEU 86 H LEU 86 -16.943 -1.203 14.344 672 HA LEU 86 HA LEU 86 -15.481 -0.090 12.014 673 HB2 LEU 86 HB2 LEU 86 -18.369 -0.901 12.329 674 HB3 LEU 86 HB3 LEU 86 -17.594 -0.342 10.848 675 HG LEU 86 HG LEU 86 -16.855 -2.852 12.282 676 HD11 LEU 86 HD11 LEU 86 -19.103 -3.022 11.318 677 HD12 LEU 86 HD12 LEU 86 -17.971 -4.016 10.412 678 HD13 LEU 86 HD13 LEU 86 -18.532 -2.439 9.777 679 HD21 LEU 86 HD21 LEU 86 -15.972 -1.723 9.565 680 HD22 LEU 86 HD22 LEU 86 -15.574 -3.382 10.164 681 HD23 LEU 86 HD23 LEU 86 -15.012 -1.950 11.019 682 H ASP 87 H ASP 87 -16.015 1.110 14.709 683 HA ASP 87 HA ASP 87 -17.874 3.286 14.386 684 HB2 ASP 87 HB2 ASP 87 -17.183 3.912 16.580 685 HB3 ASP 87 HB3 ASP 87 -17.416 2.176 16.530 686 H TYR 88 H TYR 88 -16.095 3.196 12.332 687 HA TYR 88 HA TYR 88 -13.754 4.699 12.612 688 HB2 TYR 88 HB2 TYR 88 -15.644 4.307 10.258 689 HB3 TYR 88 HB3 TYR 88 -13.994 4.955 10.133 690 HD1 TYR 88 HD1 TYR 88 -14.685 2.655 8.444 691 HD2 TYR 88 HD2 TYR 88 -13.268 2.717 12.573 692 HE1 TYR 88 HE1 TYR 88 -13.638 0.386 8.223 693 HE2 TYR 88 HE2 TYR 88 -12.273 0.468 12.256 694 HH TYR 88 HH TYR 88 -11.819 -1.044 9.242 695 H GLY 89 H GLY 89 -13.141 6.768 12.161 696 HA2 GLY 89 HA2 GLY 89 -13.436 9.017 11.573 697 HA3 GLY 89 HA3 GLY 89 -15.193 8.835 11.730 698 H VAL 90 H VAL 90 -13.853 7.550 14.527 699 HA VAL 90 HA VAL 90 -13.466 10.215 15.825 700 HB VAL 90 HB VAL 90 -14.704 9.476 17.860 701 HG11 VAL 90 HG11 VAL 90 -17.046 9.670 16.905 702 HG12 VAL 90 HG12 VAL 90 -15.893 10.874 16.274 703 HG13 VAL 90 HG13 VAL 90 -16.340 9.458 15.275 704 HG21 VAL 90 HG21 VAL 90 -15.612 7.094 16.223 705 HG22 VAL 90 HG22 VAL 90 -14.553 7.070 17.620 706 HG23 VAL 90 HG23 VAL 90 -16.244 7.547 17.809 707 H CYS 91 H CYS 91 -12.251 10.027 17.913 708 HA CYS 91 HA CYS 91 -10.173 7.889 17.839 709 HB2 CYS 91 HB2 CYS 91 -9.724 10.369 18.382 710 HB3 CYS 91 HB3 CYS 91 -10.745 10.164 19.818 711 H GLU 92 H GLU 92 -9.782 6.748 20.009 712 HA GLU 92 HA GLU 92 -12.409 6.109 21.338 713 HB2 GLU 92 HB2 GLU 92 -11.565 3.931 21.849 714 HB3 GLU 92 HB3 GLU 92 -11.270 4.236 20.138 715 HG2 GLU 92 HG2 GLU 92 -8.974 4.815 20.597 716 HG3 GLU 92 HG3 GLU 92 -9.209 4.487 22.297 717 H LYS 93 H LYS 93 -9.276 7.492 21.784 718 HA LYS 93 HA LYS 93 -8.960 7.114 24.646 719 HB2 LYS 93 HB2 LYS 93 -7.159 7.838 23.011 720 HB3 LYS 93 HB3 LYS 93 -8.008 9.369 22.811 721 HG2 LYS 93 HG2 LYS 93 -6.162 9.735 24.256 722 HG3 LYS 93 HG3 LYS 93 -7.618 9.793 25.226 723 HD2 LYS 93 HD2 LYS 93 -7.174 7.443 25.926 724 HD3 LYS 93 HD3 LYS 93 -5.697 7.501 24.966 725 HE2 LYS 93 HE2 LYS 93 -4.902 9.401 26.271 726 HE3 LYS 93 HE3 LYS 93 -6.328 9.256 27.312 727 HZ1 LYS 93 HZ1 LYS 93 -4.422 8.160 28.231 728 HZ2 LYS 93 HZ2 LYS 93 -4.257 7.202 26.923 729 HZ3 LYS 93 HZ3 LYS 93 -5.597 7.052 27.885 730 H CYS 94 H CYS 94 -10.481 9.289 22.471 731 HA CYS 94 HA CYS 94 -12.157 10.582 24.523 732 HB2 CYS 94 HB2 CYS 94 -11.736 12.769 23.441 733 HB3 CYS 94 HB3 CYS 94 -10.182 12.131 23.978 734 H HIS 95 H HIS 95 -14.103 11.448 22.853 735 HA HIS 95 HA HIS 95 -13.996 9.607 20.447 736 HB2 HIS 95 HB2 HIS 95 -16.470 10.386 21.985 737 HB3 HIS 95 HB3 HIS 95 -16.395 9.515 20.456 738 HD1 HIS 95 HD1 HIS 95 -16.460 8.818 24.080 739 HD2 HIS 95 HD2 HIS 95 -14.890 7.032 20.617 740 HE1 HIS 95 HE1 HIS 95 -16.004 6.371 24.647 741 HE2 HIS 95 HE2 HIS 95 -15.051 5.315 22.559 742 H SER 96 H SER 96 -12.771 11.963 20.604 743 HA SER 96 HA SER 96 -14.472 14.104 19.587 744 HB2 SER 96 HB2 SER 96 -12.432 14.613 20.875 745 HB3 SER 96 HB3 SER 96 -11.476 13.789 19.618 746 HG SER 96 HG SER 96 -12.021 15.379 18.152 747 H LYS 97 H LYS 97 -14.681 14.730 17.598 748 HA LYS 97 HA LYS 97 -14.111 12.976 15.326 749 HB2 LYS 97 HB2 LYS 97 -15.441 15.701 15.540 750 HB3 LYS 97 HB3 LYS 97 -15.269 14.742 14.056 751 HG2 LYS 97 HG2 LYS 97 -16.505 12.911 15.170 752 HG3 LYS 97 HG3 LYS 97 -16.798 13.924 16.564 753 HD2 LYS 97 HD2 LYS 97 -17.725 14.536 13.743 754 HD3 LYS 97 HD3 LYS 97 -18.733 13.826 14.996 755 HE2 LYS 97 HE2 LYS 97 -18.390 15.847 16.419 756 HE3 LYS 97 HE3 LYS 97 -17.511 16.592 15.053 757 HZ1 LYS 97 HZ1 LYS 97 -19.421 16.412 13.644 758 HZ2 LYS 97 HZ2 LYS 97 -19.834 17.208 15.042 759 HZ3 LYS 97 HZ3 LYS 97 -20.271 15.626 14.861 760 H ASN 98 H ASN 98 -12.964 13.984 13.449 761 HA ASN 98 HA ASN 98 -11.107 14.973 12.438 762 HB2 ASN 98 HB2 ASN 98 -10.524 16.457 15.058 763 HB3 ASN 98 HB3 ASN 98 -9.675 16.630 13.517 764 HD21 ASN 98 HD21 ASN 98 -11.456 17.019 11.648 765 HD22 ASN 98 HD22 ASN 98 -12.536 18.352 12.023 766 H VAL 99 H VAL 99 -10.885 12.653 12.785 767 HA VAL 99 HA VAL 99 -8.184 12.236 13.970 768 HB VAL 99 HB VAL 99 -8.657 9.794 14.063 769 HG11 VAL 99 HG11 VAL 99 -10.805 11.288 15.602 770 HG12 VAL 99 HG12 VAL 99 -9.972 9.766 16.016 771 HG13 VAL 99 HG13 VAL 99 -9.078 11.291 16.063 772 HG21 VAL 99 HG21 VAL 99 -10.380 9.744 12.305 773 HG22 VAL 99 HG22 VAL 99 -10.915 8.940 13.774 774 HG23 VAL 99 HG23 VAL 99 -11.507 10.550 13.402 775 H ILE 100 H ILE 100 -6.866 10.841 12.592 776 HA ILE 100 HA ILE 100 -7.718 11.119 9.715 777 HB ILE 100 HB ILE 100 -5.412 11.723 9.104 778 HG12 ILE 100 HG12 ILE 100 -4.823 11.933 12.069 779 HG13 ILE 100 HG13 ILE 100 -4.413 10.526 11.086 780 HG21 ILE 100 HG21 ILE 100 -7.076 13.468 9.619 781 HG22 ILE 100 HG22 ILE 100 -6.479 13.533 11.285 782 HG23 ILE 100 HG23 ILE 100 -5.416 14.041 9.962 783 HD11 ILE 100 HD11 ILE 100 -2.448 11.813 11.328 784 HD12 ILE 100 HD12 ILE 100 -3.318 13.300 10.766 785 HD13 ILE 100 HD13 ILE 100 -3.041 11.923 9.639 786 H ILE 101 H ILE 101 -6.425 9.675 8.242 787 HA ILE 101 HA ILE 101 -6.080 7.034 9.577 788 HB ILE 101 HB ILE 101 -6.310 7.816 6.599 789 HG12 ILE 101 HG12 ILE 101 -8.401 6.498 8.371 790 HG13 ILE 101 HG13 ILE 101 -8.395 8.239 8.060 791 HG21 ILE 101 HG21 ILE 101 -5.142 5.719 6.968 792 HG22 ILE 101 HG22 ILE 101 -6.398 5.136 8.051 793 HG23 ILE 101 HG23 ILE 101 -6.743 5.377 6.353 794 HD11 ILE 101 HD11 ILE 101 -9.939 7.256 6.546 795 HD12 ILE 101 HD12 ILE 101 -8.810 6.014 6.030 796 HD13 ILE 101 HD13 ILE 101 -8.521 7.707 5.592 797 H THR 102 H THR 102 -4.052 6.349 9.927 798 HA THR 102 HA THR 102 -1.866 7.835 8.539 799 HB THR 102 HB THR 102 -0.402 6.756 10.171 800 HG1 THR 102 HG1 THR 102 -1.049 5.145 11.392 801 HG21 THR 102 HG21 THR 102 -2.813 7.916 11.531 802 HG22 THR 102 HG22 THR 102 -1.524 8.849 10.741 803 HG23 THR 102 HG23 THR 102 -1.166 7.831 12.180 804 H GLN 103 H GLN 103 -3.287 4.589 8.883 805 HA GLN 103 HA GLN 103 -1.671 3.797 6.514 806 HB2 GLN 103 HB2 GLN 103 -2.307 2.013 8.858 807 HB3 GLN 103 HB3 GLN 103 -1.532 1.485 7.373 808 HG2 GLN 103 HG2 GLN 103 0.381 2.999 7.881 809 HG3 GLN 103 HG3 GLN 103 -0.392 3.432 9.405 810 HE21 GLN 103 HE21 GLN 103 2.115 1.811 8.516 811 HE22 GLN 103 HE22 GLN 103 1.999 0.380 9.532 812 H GLY 104 H GLY 104 -2.839 2.400 5.096 813 HA2 GLY 104 HA2 GLY 104 -4.719 1.168 4.413 814 HA3 GLY 104 HA3 GLY 104 -5.542 1.604 5.918 815 H ASN 105 H ASN 105 -4.252 4.439 4.300 816 HA ASN 105 HA ASN 105 -7.018 5.024 3.338 817 HB2 ASN 105 HB2 ASN 105 -6.236 7.288 2.972 818 HB3 ASN 105 HB3 ASN 105 -5.834 6.751 4.616 819 HD21 ASN 105 HD21 ASN 105 -4.681 8.568 2.226 820 HD22 ASN 105 HD22 ASN 105 -2.958 8.307 2.445 821 H GLU 106 H GLU 106 -3.857 4.007 2.244 822 HA GLU 106 HA GLU 106 -5.002 3.767 -0.454 823 HB2 GLU 106 HB2 GLU 106 -3.078 4.818 -1.587 824 HB3 GLU 106 HB3 GLU 106 -4.086 5.944 -0.669 825 HG2 GLU 106 HG2 GLU 106 -2.516 6.001 1.186 826 HG3 GLU 106 HG3 GLU 106 -1.376 4.992 0.238 827 H MET 107 H MET 107 -1.508 3.448 0.115 828 HA MET 107 HA MET 107 -1.848 0.500 -0.113 829 HB2 MET 107 HB2 MET 107 -1.581 1.619 -2.361 830 HB3 MET 107 HB3 MET 107 -0.099 2.307 -1.717 831 HG2 MET 107 HG2 MET 107 0.802 -0.015 -1.553 832 HG3 MET 107 HG3 MET 107 -0.715 -0.599 -2.246 833 HE1 MET 107 HE1 MET 107 2.629 1.377 -2.604 834 HE2 MET 107 HE2 MET 107 1.516 2.724 -2.950 835 HE3 MET 107 HE3 MET 107 2.554 2.083 -4.237 836 H ARG 108 H ARG 108 -0.119 -0.772 0.540 837 HA ARG 108 HA ARG 108 2.380 0.398 1.627 838 HB2 ARG 108 HB2 ARG 108 0.730 0.018 3.539 839 HB3 ARG 108 HB3 ARG 108 0.669 -1.681 3.051 840 HG2 ARG 108 HG2 ARG 108 3.188 -1.817 3.575 841 HG3 ARG 108 HG3 ARG 108 3.080 -0.171 4.224 842 HD2 ARG 108 HD2 ARG 108 1.418 -1.013 5.882 843 HD3 ARG 108 HD3 ARG 108 1.567 -2.644 5.163 844 HE ARG 108 HE ARG 108 4.169 -1.584 5.900 845 HH11 ARG 108 HH11 ARG 108 1.334 -3.112 7.357 846 HH12 ARG 108 HH12 ARG 108 2.296 -3.825 8.620 847 HH21 ARG 108 HH21 ARG 108 5.255 -2.444 7.616 848 HH22 ARG 108 HH22 ARG 108 4.415 -3.474 8.763 849 H LEU 109 H LEU 109 4.184 -1.135 1.402 850 HA LEU 109 HA LEU 109 3.610 -3.510 -0.286 851 HB2 LEU 109 HB2 LEU 109 6.110 -2.032 0.606 852 HB3 LEU 109 HB3 LEU 109 6.247 -3.681 0.043 853 HG LEU 109 HG LEU 109 5.005 -1.474 -1.613 854 HD11 LEU 109 HD11 LEU 109 7.315 -0.995 -1.104 855 HD12 LEU 109 HD12 LEU 109 7.121 -1.364 -2.800 856 HD13 LEU 109 HD13 LEU 109 7.789 -2.608 -1.694 857 HD21 LEU 109 HD21 LEU 109 5.462 -3.041 -3.448 858 HD22 LEU 109 HD22 LEU 109 5.998 -4.262 -2.242 859 HD23 LEU 109 HD23 LEU 109 4.294 -3.670 -2.260 860 H LEU 110 H LEU 110 3.607 -5.612 0.560 861 HA LEU 110 HA LEU 110 4.249 -5.706 3.460 862 HB2 LEU 110 HB2 LEU 110 2.756 -7.741 1.742 863 HB3 LEU 110 HB3 LEU 110 2.963 -7.776 3.524 864 HG LEU 110 HG LEU 110 1.435 -5.649 1.982 865 HD11 LEU 110 HD11 LEU 110 0.364 -7.861 3.743 866 HD12 LEU 110 HD12 LEU 110 0.371 -7.923 1.979 867 HD13 LEU 110 HD13 LEU 110 -0.554 -6.642 2.805 868 HD21 LEU 110 HD21 LEU 110 0.641 -4.971 4.219 869 HD22 LEU 110 HD22 LEU 110 2.366 -4.690 3.965 870 HD23 LEU 110 HD23 LEU 110 1.841 -6.046 4.943 871 H SER 111 H SER 111 5.062 -7.520 0.398 872 HA SER 111 HA SER 111 7.720 -8.018 1.508 873 HB2 SER 111 HB2 SER 111 7.632 -10.416 1.340 874 HB3 SER 111 HB3 SER 111 6.399 -9.856 2.514 875 HG SER 111 HG SER 111 5.563 -11.451 1.215 876 H LEU 112 H LEU 112 9.140 -8.921 -0.280 877 HA LEU 112 HA LEU 112 7.852 -8.931 -2.980 878 HB2 LEU 112 HB2 LEU 112 10.445 -7.530 -2.201 879 HB3 LEU 112 HB3 LEU 112 9.862 -7.781 -3.825 880 HG LEU 112 HG LEU 112 7.917 -6.226 -3.343 881 HD11 LEU 112 HD11 LEU 112 7.740 -6.116 -0.992 882 HD12 LEU 112 HD12 LEU 112 8.408 -4.558 -1.477 883 HD13 LEU 112 HD13 LEU 112 9.491 -5.805 -0.779 884 HD21 LEU 112 HD21 LEU 112 10.675 -5.039 -2.968 885 HD22 LEU 112 HD22 LEU 112 9.258 -4.283 -3.694 886 HD23 LEU 112 HD23 LEU 112 10.053 -5.639 -4.519 887 H GLU 113 H GLU 113 8.795 -10.445 -4.375 888 HA GLU 113 HA GLU 113 10.926 -12.215 -3.204 889 HB2 GLU 113 HB2 GLU 113 8.830 -13.366 -4.036 890 HB3 GLU 113 HB3 GLU 113 9.149 -12.622 -5.634 891 HG2 GLU 113 HG2 GLU 113 11.279 -13.795 -5.770 892 HG3 GLU 113 HG3 GLU 113 10.934 -14.570 -4.209 893 H MET 114 H MET 114 13.000 -11.956 -4.085 894 HA MET 114 HA MET 114 13.157 -10.465 -6.666 895 HB2 MET 114 HB2 MET 114 14.799 -9.834 -4.175 896 HB3 MET 114 HB3 MET 114 14.955 -9.068 -5.763 897 HG2 MET 114 HG2 MET 114 12.705 -8.202 -5.542 898 HG3 MET 114 HG3 MET 114 12.584 -8.905 -3.911 899 HE1 MET 114 HE1 MET 114 13.333 -7.616 -1.830 900 HE2 MET 114 HE2 MET 114 13.695 -5.900 -1.946 901 HE3 MET 114 HE3 MET 114 12.208 -6.529 -2.646 902 H LEU 115 H LEU 115 15.125 -10.598 -7.839 903 HA LEU 115 HA LEU 115 16.752 -13.011 -7.150 904 HB2 LEU 115 HB2 LEU 115 16.491 -11.462 -9.732 905 HB3 LEU 115 HB3 LEU 115 17.537 -12.856 -9.516 906 HG LEU 115 HG LEU 115 14.504 -12.854 -9.267 907 HD11 LEU 115 HD11 LEU 115 15.427 -12.429 -11.592 908 HD12 LEU 115 HD12 LEU 115 14.414 -13.853 -11.479 909 HD13 LEU 115 HD13 LEU 115 16.200 -14.041 -11.516 910 HD21 LEU 115 HD21 LEU 115 14.707 -15.359 -9.345 911 HD22 LEU 115 HD22 LEU 115 15.547 -14.657 -7.895 912 HD23 LEU 115 HD23 LEU 115 16.487 -15.179 -9.326 913 H ALA 116 H ALA 116 18.887 -12.714 -6.655 914 HA ALA 116 HA ALA 116 19.685 -10.123 -5.827 915 HB1 ALA 116 HB1 ALA 116 21.439 -12.601 -6.248 916 HB2 ALA 116 HB2 ALA 116 20.407 -12.294 -4.832 917 HB3 ALA 116 HB3 ALA 116 21.755 -11.193 -5.185 918 H GLU 117 H GLU 117 21.372 -8.761 -6.521 919 HA GLU 117 HA GLU 117 21.612 -8.455 -9.380 920 HB2 GLU 117 HB2 GLU 117 22.889 -6.477 -8.801 921 HB3 GLU 117 HB3 GLU 117 21.559 -6.639 -7.631 922 HG2 GLU 117 HG2 GLU 117 23.137 -7.587 -5.967 923 HG3 GLU 117 HG3 GLU 117 24.465 -7.411 -7.129 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -2.040 8.683 -3.932 2 H2 MET 1 H2 MET 1 -2.388 9.772 -2.711 3 H3 MET 1 H3 MET 1 -2.634 10.184 -4.310 4 HA MET 1 HA MET 1 -4.124 8.161 -2.793 5 HB2 MET 1 HB2 MET 1 -4.721 10.557 -2.324 6 HB3 MET 1 HB3 MET 1 -5.045 10.741 -4.067 7 HG2 MET 1 HG2 MET 1 -6.810 9.032 -3.957 8 HG3 MET 1 HG3 MET 1 -6.540 8.888 -2.221 9 HE1 MET 1 HE1 MET 1 -6.192 11.845 -1.059 10 HE2 MET 1 HE2 MET 1 -7.307 10.609 -0.430 11 HE3 MET 1 HE3 MET 1 -7.900 12.261 -0.735 12 H HIS 2 H HIS 2 -3.637 9.791 -6.058 13 HA HIS 2 HA HIS 2 -5.694 8.104 -7.188 14 HB2 HIS 2 HB2 HIS 2 -3.404 9.682 -8.468 15 HB3 HIS 2 HB3 HIS 2 -4.698 8.925 -9.368 16 HD1 HIS 2 HD1 HIS 2 -4.286 11.954 -9.652 17 HD2 HIS 2 HD2 HIS 2 -6.702 10.251 -6.668 18 HE1 HIS 2 HE1 HIS 2 -5.901 13.748 -8.914 19 HE2 HIS 2 HE2 HIS 2 -7.460 12.677 -7.195 20 H GLU 3 H GLU 3 -5.447 6.200 -8.464 21 HA GLU 3 HA GLU 3 -3.512 4.444 -7.371 22 HB2 GLU 3 HB2 GLU 3 -5.191 4.016 -9.835 23 HB3 GLU 3 HB3 GLU 3 -4.329 2.749 -8.958 24 HG2 GLU 3 HG2 GLU 3 -6.553 2.576 -8.130 25 HG3 GLU 3 HG3 GLU 3 -5.778 3.557 -6.897 26 H TYR 4 H TYR 4 -3.557 5.984 -10.587 27 HA TYR 4 HA TYR 4 -1.282 4.463 -11.487 28 HB2 TYR 4 HB2 TYR 4 -2.520 7.004 -12.506 29 HB3 TYR 4 HB3 TYR 4 -1.103 6.258 -13.242 30 HD1 TYR 4 HD1 TYR 4 -1.207 4.464 -14.728 31 HD2 TYR 4 HD2 TYR 4 -4.721 5.504 -12.461 32 HE1 TYR 4 HE1 TYR 4 -2.616 2.911 -16.158 33 HE2 TYR 4 HE2 TYR 4 -6.065 3.890 -13.857 34 HH TYR 4 HH TYR 4 -6.023 2.350 -15.648 35 H SER 5 H SER 5 -1.567 7.557 -9.716 36 HA SER 5 HA SER 5 1.245 8.191 -10.189 37 HB2 SER 5 HB2 SER 5 -0.416 9.941 -9.568 38 HB3 SER 5 HB3 SER 5 -0.608 9.171 -7.966 39 HG SER 5 HG SER 5 0.902 10.611 -7.594 40 H VAL 6 H VAL 6 -0.619 6.471 -7.631 41 HA VAL 6 HA VAL 6 1.662 6.156 -5.853 42 HB VAL 6 HB VAL 6 -0.898 4.564 -6.104 43 HG11 VAL 6 HG11 VAL 6 0.829 3.271 -4.942 44 HG12 VAL 6 HG12 VAL 6 -0.428 3.795 -3.821 45 HG13 VAL 6 HG13 VAL 6 1.125 4.649 -3.845 46 HG21 VAL 6 HG21 VAL 6 -1.098 7.077 -5.476 47 HG22 VAL 6 HG22 VAL 6 -0.264 6.647 -4.004 48 HG23 VAL 6 HG23 VAL 6 -1.809 5.922 -4.376 49 H VAL 7 H VAL 7 0.231 4.184 -8.543 50 HA VAL 7 HA VAL 7 2.145 2.060 -8.137 51 HB VAL 7 HB VAL 7 0.468 2.776 -10.564 52 HG11 VAL 7 HG11 VAL 7 2.431 1.521 -11.225 53 HG12 VAL 7 HG12 VAL 7 0.962 0.501 -11.289 54 HG13 VAL 7 HG13 VAL 7 2.097 0.313 -9.966 55 HG21 VAL 7 HG21 VAL 7 -0.811 2.018 -8.480 56 HG22 VAL 7 HG22 VAL 7 0.120 0.528 -8.485 57 HG23 VAL 7 HG23 VAL 7 -0.940 0.885 -9.864 58 H SER 8 H SER 8 2.236 5.057 -10.045 59 HA SER 8 HA SER 8 4.622 4.355 -11.461 60 HB2 SER 8 HB2 SER 8 3.256 6.315 -12.099 61 HB3 SER 8 HB3 SER 8 3.643 7.117 -10.564 62 HG SER 8 HG SER 8 5.782 7.298 -11.198 63 H SER 9 H SER 9 4.006 5.782 -8.194 64 HA SER 9 HA SER 9 6.886 6.114 -7.707 65 HB2 SER 9 HB2 SER 9 4.463 6.169 -5.850 66 HB3 SER 9 HB3 SER 9 6.111 6.534 -5.339 67 HG SER 9 HG SER 9 6.141 8.244 -6.911 68 H LEU 10 H LEU 10 4.517 3.537 -7.465 69 HA LEU 10 HA LEU 10 5.920 2.105 -5.350 70 HB2 LEU 10 HB2 LEU 10 3.523 1.704 -5.993 71 HB3 LEU 10 HB3 LEU 10 4.061 1.046 -7.535 72 HG LEU 10 HG LEU 10 5.216 -0.823 -6.431 73 HD11 LEU 10 HD11 LEU 10 4.289 -1.071 -3.909 74 HD12 LEU 10 HD12 LEU 10 5.903 -0.367 -4.345 75 HD13 LEU 10 HD13 LEU 10 4.492 0.665 -3.940 76 HD21 LEU 10 HD21 LEU 10 2.266 -0.341 -5.688 77 HD22 LEU 10 HD22 LEU 10 3.076 -1.927 -5.622 78 HD23 LEU 10 HD23 LEU 10 2.935 -1.076 -7.193 79 H ILE 11 H ILE 11 5.982 1.981 -8.938 80 HA ILE 11 HA ILE 11 7.669 -0.336 -9.026 81 HB ILE 11 HB ILE 11 7.554 2.019 -10.980 82 HG12 ILE 11 HG12 ILE 11 5.387 0.872 -10.849 83 HG13 ILE 11 HG13 ILE 11 6.142 0.580 -12.392 84 HG21 ILE 11 HG21 ILE 11 9.638 0.793 -11.352 85 HG22 ILE 11 HG22 ILE 11 8.767 -0.762 -11.317 86 HG23 ILE 11 HG23 ILE 11 8.482 0.390 -12.615 87 HD11 ILE 11 HD11 ILE 11 6.795 -1.715 -11.592 88 HD12 ILE 11 HD12 ILE 11 5.931 -1.394 -10.071 89 HD13 ILE 11 HD13 ILE 11 5.035 -1.468 -11.595 90 H ALA 12 H ALA 12 8.288 3.209 -8.697 91 HA ALA 12 HA ALA 12 11.161 2.894 -8.922 92 HB1 ALA 12 HB1 ALA 12 11.247 5.158 -7.928 93 HB2 ALA 12 HB2 ALA 12 9.539 5.043 -7.473 94 HB3 ALA 12 HB3 ALA 12 9.960 5.091 -9.181 95 H LEU 13 H LEU 13 8.814 2.779 -6.253 96 HA LEU 13 HA LEU 13 10.694 2.732 -4.110 97 HB2 LEU 13 HB2 LEU 13 8.298 3.209 -3.944 98 HB3 LEU 13 HB3 LEU 13 7.948 1.510 -4.276 99 HG LEU 13 HG LEU 13 8.984 0.883 -2.179 100 HD11 LEU 13 HD11 LEU 13 10.590 2.623 -1.853 101 HD12 LEU 13 HD12 LEU 13 9.460 2.683 -0.494 102 HD13 LEU 13 HD13 LEU 13 9.305 3.880 -1.821 103 HD21 LEU 13 HD21 LEU 13 7.253 1.690 -0.749 104 HD22 LEU 13 HD22 LEU 13 6.565 1.456 -2.371 105 HD23 LEU 13 HD23 LEU 13 6.952 3.092 -1.810 106 H CYS 14 H CYS 14 9.272 0.251 -6.172 107 HA CYS 14 HA CYS 14 10.288 -2.021 -4.647 108 HB2 CYS 14 HB2 CYS 14 9.427 -1.698 -7.584 109 HB3 CYS 14 HB3 CYS 14 9.848 -3.254 -6.804 110 HG CYS 14 HG CYS 14 7.442 -1.135 -6.004 111 H GLU 15 H GLU 15 11.411 -0.002 -7.393 112 HA GLU 15 HA GLU 15 13.771 -1.557 -7.799 113 HB2 GLU 15 HB2 GLU 15 13.146 1.336 -8.523 114 HB3 GLU 15 HB3 GLU 15 14.617 0.510 -8.953 115 HG2 GLU 15 HG2 GLU 15 13.304 -1.167 -10.193 116 HG3 GLU 15 HG3 GLU 15 11.837 -0.366 -9.785 117 H GLU 16 H GLU 16 13.073 1.278 -5.577 118 HA GLU 16 HA GLU 16 15.887 1.540 -4.978 119 HB2 GLU 16 HB2 GLU 16 15.441 2.868 -3.094 120 HB3 GLU 16 HB3 GLU 16 14.256 3.355 -4.353 121 HG2 GLU 16 HG2 GLU 16 12.585 2.016 -3.176 122 HG3 GLU 16 HG3 GLU 16 13.745 1.659 -1.897 123 H HIS 17 H HIS 17 13.280 -0.542 -3.705 124 HA HIS 17 HA HIS 17 14.910 -1.559 -1.532 125 HB2 HIS 17 HB2 HIS 17 12.558 -2.726 -2.972 126 HB3 HIS 17 HB3 HIS 17 13.380 -3.485 -1.637 127 HD1 HIS 17 HD1 HIS 17 13.524 -2.120 0.694 128 HD2 HIS 17 HD2 HIS 17 10.600 -0.939 -2.087 129 HE1 HIS 17 HE1 HIS 17 11.749 -0.809 1.974 130 HE2 HIS 17 HE2 HIS 17 9.978 -0.088 0.298 131 H ALA 18 H ALA 18 14.545 -2.307 -5.014 132 HA ALA 18 HA ALA 18 16.116 -4.702 -4.833 133 HB1 ALA 18 HB1 ALA 18 14.789 -4.020 -6.862 134 HB2 ALA 18 HB2 ALA 18 16.477 -4.388 -7.263 135 HB3 ALA 18 HB3 ALA 18 15.963 -2.711 -7.172 136 H LYS 19 H LYS 19 17.043 -1.278 -5.225 137 HA LYS 19 HA LYS 19 19.842 -1.777 -5.526 138 HB2 LYS 19 HB2 LYS 19 18.304 0.554 -4.440 139 HB3 LYS 19 HB3 LYS 19 20.041 0.655 -4.838 140 HG2 LYS 19 HG2 LYS 19 19.543 0.171 -7.189 141 HG3 LYS 19 HG3 LYS 19 17.834 -0.034 -6.842 142 HD2 LYS 19 HD2 LYS 19 18.044 2.140 -7.707 143 HD3 LYS 19 HD3 LYS 19 17.704 2.303 -5.967 144 HE2 LYS 19 HE2 LYS 19 20.161 2.700 -5.643 145 HE3 LYS 19 HE3 LYS 19 20.378 2.559 -7.401 146 HZ1 LYS 19 HZ1 LYS 19 20.226 4.859 -6.802 147 HZ2 LYS 19 HZ2 LYS 19 18.797 4.626 -5.970 148 HZ3 LYS 19 HZ3 LYS 19 18.855 4.467 -7.634 149 H LYS 20 H LYS 20 17.734 -1.355 -2.690 150 HA LYS 20 HA LYS 20 19.924 -1.204 -0.753 151 HB2 LYS 20 HB2 LYS 20 16.994 -1.857 -0.434 152 HB3 LYS 20 HB3 LYS 20 18.154 -1.638 0.894 153 HG2 LYS 20 HG2 LYS 20 18.566 0.684 0.178 154 HG3 LYS 20 HG3 LYS 20 17.391 0.439 -1.146 155 HD2 LYS 20 HD2 LYS 20 15.604 -0.051 0.465 156 HD3 LYS 20 HD3 LYS 20 16.723 0.323 1.785 157 HE2 LYS 20 HE2 LYS 20 17.024 2.517 0.899 158 HE3 LYS 20 HE3 LYS 20 15.952 2.180 -0.429 159 HZ1 LYS 20 HZ1 LYS 20 14.785 3.374 1.218 160 HZ2 LYS 20 HZ2 LYS 20 15.271 2.348 2.407 161 HZ3 LYS 20 HZ3 LYS 20 14.209 1.828 1.286 162 H ASN 21 H ASN 21 18.205 -3.792 -2.339 163 HA ASN 21 HA ASN 21 19.444 -5.755 -0.412 164 HB2 ASN 21 HB2 ASN 21 16.949 -5.707 -0.970 165 HB3 ASN 21 HB3 ASN 21 17.378 -6.326 -2.560 166 HD21 ASN 21 HD21 ASN 21 16.862 -8.445 -2.588 167 HD22 ASN 21 HD22 ASN 21 17.228 -9.595 -1.299 168 H GLN 22 H GLN 22 20.305 -4.247 -3.132 169 HA GLN 22 HA GLN 22 21.762 -4.729 -4.867 170 HB2 GLN 22 HB2 GLN 22 22.621 -6.920 -2.954 171 HB3 GLN 22 HB3 GLN 22 23.522 -6.388 -4.374 172 HG2 GLN 22 HG2 GLN 22 23.628 -4.137 -3.422 173 HG3 GLN 22 HG3 GLN 22 22.851 -4.701 -1.944 174 HE21 GLN 22 HE21 GLN 22 25.747 -4.029 -3.418 175 HE22 GLN 22 HE22 GLN 22 26.812 -4.978 -2.410 176 H ALA 23 H ALA 23 19.239 -5.564 -5.328 177 HA ALA 23 HA ALA 23 19.548 -8.259 -6.616 178 HB1 ALA 23 HB1 ALA 23 16.903 -8.256 -6.301 179 HB2 ALA 23 HB2 ALA 23 17.215 -6.939 -5.178 180 HB3 ALA 23 HB3 ALA 23 17.877 -8.534 -4.836 181 H HIS 24 H HIS 24 18.672 -8.508 -8.672 182 HA HIS 24 HA HIS 24 18.491 -5.884 -10.107 183 HB2 HIS 24 HB2 HIS 24 19.360 -6.906 -12.030 184 HB3 HIS 24 HB3 HIS 24 20.314 -7.560 -10.686 185 HD1 HIS 24 HD1 HIS 24 18.575 -8.656 -13.730 186 HD2 HIS 24 HD2 HIS 24 19.144 -10.289 -9.899 187 HE1 HIS 24 HE1 HIS 24 18.047 -11.081 -13.891 188 HE2 HIS 24 HE2 HIS 24 18.515 -12.108 -11.650 189 H LYS 25 H LYS 25 16.416 -8.620 -9.411 190 HA LYS 25 HA LYS 25 14.415 -7.372 -11.189 191 HB2 LYS 25 HB2 LYS 25 15.837 -9.109 -12.437 192 HB3 LYS 25 HB3 LYS 25 15.126 -10.340 -11.424 193 HG2 LYS 25 HG2 LYS 25 13.621 -8.454 -13.357 194 HG3 LYS 25 HG3 LYS 25 14.200 -10.094 -13.739 195 HD2 LYS 25 HD2 LYS 25 12.695 -10.989 -11.964 196 HD3 LYS 25 HD3 LYS 25 12.080 -9.342 -11.731 197 HE2 LYS 25 HE2 LYS 25 10.564 -10.502 -13.173 198 HE3 LYS 25 HE3 LYS 25 11.419 -9.229 -14.113 199 HZ1 LYS 25 HZ1 LYS 25 12.094 -12.116 -14.081 200 HZ2 LYS 25 HZ2 LYS 25 12.815 -10.936 -15.044 201 HZ3 LYS 25 HZ3 LYS 25 11.217 -11.371 -15.278 202 H ILE 26 H ILE 26 12.348 -7.572 -10.348 203 HA ILE 26 HA ILE 26 12.045 -9.190 -7.820 204 HB ILE 26 HB ILE 26 10.527 -6.759 -8.856 205 HG12 ILE 26 HG12 ILE 26 12.451 -6.998 -6.521 206 HG13 ILE 26 HG13 ILE 26 12.935 -6.395 -8.101 207 HG21 ILE 26 HG21 ILE 26 9.112 -8.214 -7.570 208 HG22 ILE 26 HG22 ILE 26 10.305 -8.203 -6.205 209 HG23 ILE 26 HG23 ILE 26 9.427 -6.724 -6.707 210 HD11 ILE 26 HD11 ILE 26 12.600 -4.641 -6.486 211 HD12 ILE 26 HD12 ILE 26 10.879 -5.112 -6.373 212 HD13 ILE 26 HD13 ILE 26 11.522 -4.530 -7.902 213 H GLU 27 H GLU 27 10.868 -10.991 -8.074 214 HA GLU 27 HA GLU 27 9.196 -11.322 -10.463 215 HB2 GLU 27 HB2 GLU 27 9.986 -13.335 -8.330 216 HB3 GLU 27 HB3 GLU 27 9.015 -13.697 -9.763 217 HG2 GLU 27 HG2 GLU 27 11.793 -12.587 -9.948 218 HG3 GLU 27 HG3 GLU 27 11.393 -14.301 -9.957 219 H ARG 28 H ARG 28 8.665 -10.616 -7.121 220 HA ARG 28 HA ARG 28 5.751 -10.836 -7.639 221 HB2 ARG 28 HB2 ARG 28 6.612 -13.023 -6.494 222 HB3 ARG 28 HB3 ARG 28 7.061 -11.983 -5.172 223 HG2 ARG 28 HG2 ARG 28 4.562 -11.321 -4.999 224 HG3 ARG 28 HG3 ARG 28 4.266 -12.727 -6.099 225 HD2 ARG 28 HD2 ARG 28 5.749 -12.763 -3.416 226 HD3 ARG 28 HD3 ARG 28 4.127 -13.407 -3.669 227 HE ARG 28 HE ARG 28 5.818 -14.692 -5.492 228 HH11 ARG 28 HH11 ARG 28 6.716 -16.697 -5.112 229 HH12 ARG 28 HH12 ARG 28 6.966 -17.238 -3.469 230 HH21 ARG 28 HH21 ARG 28 5.549 -14.485 -1.989 231 HH22 ARG 28 HH22 ARG 28 6.231 -16.077 -1.750 232 H VAL 29 H VAL 29 4.632 -9.224 -6.661 233 HA VAL 29 HA VAL 29 5.947 -7.670 -4.457 234 HB VAL 29 HB VAL 29 4.259 -6.493 -6.724 235 HG11 VAL 29 HG11 VAL 29 5.572 -5.268 -4.256 236 HG12 VAL 29 HG12 VAL 29 3.863 -5.381 -4.611 237 HG13 VAL 29 HG13 VAL 29 4.894 -4.345 -5.594 238 HG21 VAL 29 HG21 VAL 29 6.628 -7.089 -7.341 239 HG22 VAL 29 HG22 VAL 29 7.216 -6.035 -6.044 240 HG23 VAL 29 HG23 VAL 29 6.301 -5.305 -7.396 241 H VAL 30 H VAL 30 4.661 -8.032 -2.636 242 HA VAL 30 HA VAL 30 1.740 -8.321 -3.277 243 HB VAL 30 HB VAL 30 1.413 -9.673 -1.265 244 HG11 VAL 30 HG11 VAL 30 2.142 -10.668 -3.517 245 HG12 VAL 30 HG12 VAL 30 3.732 -10.892 -2.712 246 HG13 VAL 30 HG13 VAL 30 2.281 -11.696 -2.079 247 HG21 VAL 30 HG21 VAL 30 3.276 -10.567 0.058 248 HG22 VAL 30 HG22 VAL 30 3.109 -8.824 0.190 249 HG23 VAL 30 HG23 VAL 30 4.394 -9.480 -0.863 250 H VAL 31 H VAL 31 0.343 -6.974 -2.204 251 HA VAL 31 HA VAL 31 1.647 -4.895 -0.548 252 HB VAL 31 HB VAL 31 0.173 -3.158 -1.733 253 HG11 VAL 31 HG11 VAL 31 1.350 -3.084 -3.870 254 HG12 VAL 31 HG12 VAL 31 2.463 -3.514 -2.536 255 HG13 VAL 31 HG13 VAL 31 1.881 -4.758 -3.649 256 HG21 VAL 31 HG21 VAL 31 -1.622 -4.707 -2.405 257 HG22 VAL 31 HG22 VAL 31 -0.553 -5.484 -3.565 258 HG23 VAL 31 HG23 VAL 31 -1.012 -3.779 -3.778 259 H GLY 32 H GLY 32 0.201 -3.600 0.738 260 HA2 GLY 32 HA2 GLY 32 -2.262 -5.115 1.442 261 HA3 GLY 32 HA3 GLY 32 -1.337 -4.129 2.632 262 H ILE 33 H ILE 33 -4.152 -4.014 0.980 263 HA ILE 33 HA ILE 33 -3.930 -1.062 0.548 264 HB ILE 33 HB ILE 33 -5.733 -2.980 -0.981 265 HG12 ILE 33 HG12 ILE 33 -3.433 -1.170 -1.931 266 HG13 ILE 33 HG13 ILE 33 -3.282 -2.914 -1.693 267 HG21 ILE 33 HG21 ILE 33 -6.858 -0.774 -0.563 268 HG22 ILE 33 HG22 ILE 33 -5.456 0.092 -1.169 269 HG23 ILE 33 HG23 ILE 33 -6.400 -0.919 -2.276 270 HD11 ILE 33 HD11 ILE 33 -3.561 -2.824 -3.925 271 HD12 ILE 33 HD12 ILE 33 -5.236 -3.019 -3.462 272 HD13 ILE 33 HD13 ILE 33 -4.630 -1.424 -3.882 273 H GLY 34 H GLY 34 -5.242 0.100 1.838 274 HA2 GLY 34 HA2 GLY 34 -6.517 -1.244 4.015 275 HA3 GLY 34 HA3 GLY 34 -6.702 0.476 3.580 276 H GLU 35 H GLU 35 -8.688 -1.538 4.522 277 HA GLU 35 HA GLU 35 -10.387 -2.130 2.297 278 HB2 GLU 35 HB2 GLU 35 -11.946 -2.880 3.909 279 HB3 GLU 35 HB3 GLU 35 -10.321 -3.406 4.374 280 HG2 GLU 35 HG2 GLU 35 -10.231 -1.572 5.978 281 HG3 GLU 35 HG3 GLU 35 -11.887 -1.155 5.528 282 H ARG 36 H ARG 36 -9.933 0.768 4.087 283 HA ARG 36 HA ARG 36 -12.336 1.963 2.784 284 HB2 ARG 36 HB2 ARG 36 -10.883 2.824 5.345 285 HB3 ARG 36 HB3 ARG 36 -12.270 3.644 4.601 286 HG2 ARG 36 HG2 ARG 36 -13.717 1.729 4.944 287 HG3 ARG 36 HG3 ARG 36 -12.345 0.845 5.654 288 HD2 ARG 36 HD2 ARG 36 -12.201 2.563 7.436 289 HD3 ARG 36 HD3 ARG 36 -13.596 3.400 6.731 290 HE ARG 36 HE ARG 36 -13.648 0.889 8.221 291 HH11 ARG 36 HH11 ARG 36 -15.637 -0.134 8.527 292 HH12 ARG 36 HH12 ARG 36 -17.108 0.545 7.828 293 HH21 ARG 36 HH21 ARG 36 -15.495 3.134 6.155 294 HH22 ARG 36 HH22 ARG 36 -16.992 2.268 6.510 295 H SER 37 H SER 37 -9.632 1.484 1.644 296 HA SER 37 HA SER 37 -8.259 4.002 1.702 297 HB2 SER 37 HB2 SER 37 -6.844 3.096 -0.039 298 HB3 SER 37 HB3 SER 37 -7.098 1.897 1.240 299 HG SER 37 HG SER 37 -8.300 0.718 -0.048 300 H ALA 38 H ALA 38 -7.980 5.458 -0.066 301 HA ALA 38 HA ALA 38 -10.482 5.964 -1.575 302 HB1 ALA 38 HB1 ALA 38 -7.866 7.508 -1.191 303 HB2 ALA 38 HB2 ALA 38 -9.486 7.930 -0.589 304 HB3 ALA 38 HB3 ALA 38 -9.151 8.048 -2.327 305 H MET 39 H MET 39 -8.491 3.653 -2.078 306 HA MET 39 HA MET 39 -7.841 4.391 -4.900 307 HB2 MET 39 HB2 MET 39 -6.463 2.416 -3.021 308 HB3 MET 39 HB3 MET 39 -6.049 2.680 -4.731 309 HG2 MET 39 HG2 MET 39 -5.403 5.031 -4.174 310 HG3 MET 39 HG3 MET 39 -5.874 4.786 -2.521 311 HE1 MET 39 HE1 MET 39 -2.212 2.729 -4.505 312 HE2 MET 39 HE2 MET 39 -3.872 2.528 -5.104 313 HE3 MET 39 HE3 MET 39 -3.094 4.114 -5.207 314 H ASP 40 H ASP 40 -8.707 3.140 -6.468 315 HA ASP 40 HA ASP 40 -10.533 1.014 -5.614 316 HB2 ASP 40 HB2 ASP 40 -9.887 2.050 -8.357 317 HB3 ASP 40 HB3 ASP 40 -11.014 0.768 -7.989 318 H LYS 41 H LYS 41 -10.142 -1.187 -5.798 319 HA LYS 41 HA LYS 41 -7.332 -1.950 -5.981 320 HB2 LYS 41 HB2 LYS 41 -9.929 -3.568 -5.891 321 HB3 LYS 41 HB3 LYS 41 -8.311 -4.313 -5.848 322 HG2 LYS 41 HG2 LYS 41 -7.826 -3.080 -3.716 323 HG3 LYS 41 HG3 LYS 41 -9.397 -2.281 -3.832 324 HD2 LYS 41 HD2 LYS 41 -9.557 -4.075 -2.191 325 HD3 LYS 41 HD3 LYS 41 -10.486 -4.522 -3.635 326 HE2 LYS 41 HE2 LYS 41 -8.695 -5.952 -4.415 327 HE3 LYS 41 HE3 LYS 41 -7.690 -5.444 -3.037 328 HZ1 LYS 41 HZ1 LYS 41 -10.276 -6.838 -2.749 329 HZ2 LYS 41 HZ2 LYS 41 -9.208 -6.468 -1.551 330 HZ3 LYS 41 HZ3 LYS 41 -8.791 -7.590 -2.682 331 H SER 42 H SER 42 -10.144 -1.937 -8.152 332 HA SER 42 HA SER 42 -8.907 -3.690 -10.101 333 HB2 SER 42 HB2 SER 42 -11.193 -1.687 -10.404 334 HB3 SER 42 HB3 SER 42 -10.723 -2.943 -11.563 335 HG SER 42 HG SER 42 -11.903 -3.188 -9.023 336 H LEU 43 H LEU 43 -8.983 -0.080 -9.613 337 HA LEU 43 HA LEU 43 -7.752 0.333 -12.202 338 HB2 LEU 43 HB2 LEU 43 -7.938 2.224 -9.836 339 HB3 LEU 43 HB3 LEU 43 -7.343 2.652 -11.431 340 HG LEU 43 HG LEU 43 -10.166 1.664 -10.818 341 HD11 LEU 43 HD11 LEU 43 -10.814 4.014 -11.105 342 HD12 LEU 43 HD12 LEU 43 -9.090 4.472 -11.376 343 HD13 LEU 43 HD13 LEU 43 -9.619 3.878 -9.767 344 HD21 LEU 43 HD21 LEU 43 -9.415 1.219 -13.141 345 HD22 LEU 43 HD22 LEU 43 -9.061 2.954 -13.335 346 HD23 LEU 43 HD23 LEU 43 -10.731 2.394 -13.049 347 H PHE 44 H PHE 44 -6.741 -0.316 -8.873 348 HA PHE 44 HA PHE 44 -4.033 0.617 -9.185 349 HB2 PHE 44 HB2 PHE 44 -5.147 0.159 -7.000 350 HB3 PHE 44 HB3 PHE 44 -5.240 -1.552 -7.370 351 HD1 PHE 44 HD1 PHE 44 -3.369 -2.997 -7.095 352 HD2 PHE 44 HD2 PHE 44 -2.966 1.246 -6.617 353 HE1 PHE 44 HE1 PHE 44 -1.091 -3.331 -6.045 354 HE2 PHE 44 HE2 PHE 44 -0.735 0.979 -5.634 355 HZ PHE 44 HZ PHE 44 0.263 -1.349 -5.306 356 H VAL 45 H VAL 45 -5.581 -2.590 -9.639 357 HA VAL 45 HA VAL 45 -3.003 -3.719 -10.356 358 HB VAL 45 HB VAL 45 -4.210 -5.745 -11.073 359 HG11 VAL 45 HG11 VAL 45 -5.154 -6.406 -8.932 360 HG12 VAL 45 HG12 VAL 45 -5.364 -4.695 -8.464 361 HG13 VAL 45 HG13 VAL 45 -3.720 -5.389 -8.645 362 HG21 VAL 45 HG21 VAL 45 -6.707 -4.119 -10.471 363 HG22 VAL 45 HG22 VAL 45 -6.731 -5.873 -10.755 364 HG23 VAL 45 HG23 VAL 45 -6.256 -4.742 -12.076 365 H SER 46 H SER 46 -5.509 -2.009 -12.048 366 HA SER 46 HA SER 46 -4.728 -2.932 -14.687 367 HB2 SER 46 HB2 SER 46 -6.920 -1.930 -14.275 368 HB3 SER 46 HB3 SER 46 -6.151 -0.373 -13.882 369 HG SER 46 HG SER 46 -5.679 -1.671 -16.358 370 H ALA 47 H ALA 47 -3.992 -0.181 -12.572 371 HA ALA 47 HA ALA 47 -2.183 1.131 -14.396 372 HB1 ALA 47 HB1 ALA 47 -3.222 2.292 -12.463 373 HB2 ALA 47 HB2 ALA 47 -1.447 2.347 -12.411 374 HB3 ALA 47 HB3 ALA 47 -2.332 1.198 -11.329 375 H PHE 48 H PHE 48 -1.801 -1.514 -11.949 376 HA PHE 48 HA PHE 48 1.043 -1.353 -11.992 377 HB2 PHE 48 HB2 PHE 48 -0.305 -2.501 -10.253 378 HB3 PHE 48 HB3 PHE 48 -0.565 -3.818 -11.362 379 HD1 PHE 48 HD1 PHE 48 1.920 -1.896 -9.400 380 HD2 PHE 48 HD2 PHE 48 1.222 -5.520 -11.702 381 HE1 PHE 48 HE1 PHE 48 4.039 -2.874 -8.534 382 HE2 PHE 48 HE2 PHE 48 3.389 -6.486 -10.822 383 HZ PHE 48 HZ PHE 48 4.778 -5.137 -9.259 384 H GLU 49 H GLU 49 -1.312 -3.107 -14.023 385 HA GLU 49 HA GLU 49 0.695 -4.549 -15.492 386 HB2 GLU 49 HB2 GLU 49 -2.092 -3.612 -16.320 387 HB3 GLU 49 HB3 GLU 49 -1.026 -4.663 -17.302 388 HG2 GLU 49 HG2 GLU 49 -1.039 -6.324 -15.525 389 HG3 GLU 49 HG3 GLU 49 -2.130 -5.324 -14.582 390 H THR 50 H THR 50 -0.709 -1.297 -15.801 391 HA THR 50 HA THR 50 0.450 -0.760 -18.362 392 HB THR 50 HB THR 50 -0.322 1.175 -16.139 393 HG1 THR 50 HG1 THR 50 -2.062 -0.140 -16.745 394 HG21 THR 50 HG21 THR 50 0.967 2.375 -17.818 395 HG22 THR 50 HG22 THR 50 -0.727 2.767 -18.061 396 HG23 THR 50 HG23 THR 50 0.051 1.620 -19.139 397 H PHE 51 H PHE 51 1.618 -0.156 -15.042 398 HA PHE 51 HA PHE 51 4.066 1.014 -16.030 399 HB2 PHE 51 HB2 PHE 51 3.186 0.509 -13.222 400 HB3 PHE 51 HB3 PHE 51 4.704 1.199 -13.669 401 HD1 PHE 51 HD1 PHE 51 1.114 2.076 -13.376 402 HD2 PHE 51 HD2 PHE 51 5.002 3.278 -14.751 403 HE1 PHE 51 HE1 PHE 51 0.380 4.398 -13.441 404 HE2 PHE 51 HE2 PHE 51 4.212 5.656 -14.902 405 HZ PHE 51 HZ PHE 51 1.919 6.234 -14.208 406 H ARG 52 H ARG 52 3.292 -2.318 -15.144 407 HA ARG 52 HA ARG 52 5.993 -3.007 -14.294 408 HB2 ARG 52 HB2 ARG 52 3.971 -4.681 -15.879 409 HB3 ARG 52 HB3 ARG 52 5.508 -5.266 -15.264 410 HG2 ARG 52 HG2 ARG 52 4.807 -4.834 -12.968 411 HG3 ARG 52 HG3 ARG 52 3.240 -4.398 -13.597 412 HD2 ARG 52 HD2 ARG 52 4.582 -7.072 -14.028 413 HD3 ARG 52 HD3 ARG 52 3.318 -6.742 -12.862 414 HE ARG 52 HE ARG 52 2.439 -5.950 -15.449 415 HH11 ARG 52 HH11 ARG 52 3.068 -8.890 -13.639 416 HH12 ARG 52 HH12 ARG 52 1.987 -9.854 -14.656 417 HH21 ARG 52 HH21 ARG 52 1.142 -7.144 -16.681 418 HH22 ARG 52 HH22 ARG 52 0.833 -8.842 -16.327 419 H GLU 53 H GLU 53 4.602 -2.310 -17.470 420 HA GLU 53 HA GLU 53 6.665 -3.570 -18.986 421 HB2 GLU 53 HB2 GLU 53 4.824 -1.259 -19.718 422 HB3 GLU 53 HB3 GLU 53 5.731 -2.265 -20.821 423 HG2 GLU 53 HG2 GLU 53 3.519 -3.229 -19.068 424 HG3 GLU 53 HG3 GLU 53 3.446 -2.927 -20.807 425 H GLU 54 H GLU 54 6.471 -0.537 -17.329 426 HA GLU 54 HA GLU 54 8.434 0.855 -18.922 427 HB2 GLU 54 HB2 GLU 54 7.304 1.291 -16.137 428 HB3 GLU 54 HB3 GLU 54 8.345 2.431 -16.981 429 HG2 GLU 54 HG2 GLU 54 5.768 1.547 -18.253 430 HG3 GLU 54 HG3 GLU 54 5.820 2.843 -17.010 431 H SER 55 H SER 55 8.828 -1.643 -16.538 432 HA SER 55 HA SER 55 11.760 -1.013 -16.587 433 HB2 SER 55 HB2 SER 55 10.936 0.045 -14.433 434 HB3 SER 55 HB3 SER 55 10.180 -1.509 -13.996 435 HG SER 55 HG SER 55 12.569 -0.764 -13.381 436 H LEU 56 H LEU 56 12.951 -2.832 -16.741 437 HA LEU 56 HA LEU 56 11.727 -5.337 -17.335 438 HB2 LEU 56 HB2 LEU 56 13.931 -4.497 -18.150 439 HB3 LEU 56 HB3 LEU 56 14.559 -4.743 -16.549 440 HG LEU 56 HG LEU 56 15.263 -6.390 -18.162 441 HD11 LEU 56 HD11 LEU 56 15.143 -8.373 -16.882 442 HD12 LEU 56 HD12 LEU 56 15.108 -7.039 -15.717 443 HD13 LEU 56 HD13 LEU 56 13.563 -7.865 -16.137 444 HD21 LEU 56 HD21 LEU 56 13.859 -8.031 -19.137 445 HD22 LEU 56 HD22 LEU 56 13.207 -6.442 -19.516 446 HD23 LEU 56 HD23 LEU 56 12.443 -7.408 -18.229 447 H VAL 57 H VAL 57 13.101 -3.804 -14.506 448 HA VAL 57 HA VAL 57 13.631 -6.022 -12.844 449 HB VAL 57 HB VAL 57 12.726 -3.189 -12.095 450 HG11 VAL 57 HG11 VAL 57 14.236 -5.214 -10.405 451 HG12 VAL 57 HG12 VAL 57 12.521 -4.792 -10.204 452 HG13 VAL 57 HG13 VAL 57 13.808 -3.576 -9.923 453 HG21 VAL 57 HG21 VAL 57 15.029 -2.647 -11.914 454 HG22 VAL 57 HG22 VAL 57 15.478 -4.354 -12.255 455 HG23 VAL 57 HG23 VAL 57 14.741 -3.327 -13.544 456 H CYS 58 H CYS 58 10.566 -4.206 -13.300 457 HA CYS 58 HA CYS 58 9.292 -6.261 -11.516 458 HB2 CYS 58 HB2 CYS 58 8.360 -3.456 -12.307 459 HB3 CYS 58 HB3 CYS 58 7.482 -4.567 -11.268 460 HG CYS 58 HG CYS 58 10.534 -3.389 -10.828 461 H LYS 59 H LYS 59 9.769 -6.059 -14.772 462 HA LYS 59 HA LYS 59 7.155 -5.814 -15.823 463 HB2 LYS 59 HB2 LYS 59 9.233 -5.626 -17.106 464 HB3 LYS 59 HB3 LYS 59 9.408 -7.376 -17.049 465 HG2 LYS 59 HG2 LYS 59 7.276 -7.604 -18.284 466 HG3 LYS 59 HG3 LYS 59 7.088 -5.821 -18.258 467 HD2 LYS 59 HD2 LYS 59 7.952 -6.376 -20.407 468 HD3 LYS 59 HD3 LYS 59 9.278 -5.633 -19.493 469 HE2 LYS 59 HE2 LYS 59 10.228 -7.894 -19.002 470 HE3 LYS 59 HE3 LYS 59 8.900 -8.628 -19.956 471 HZ1 LYS 59 HZ1 LYS 59 9.687 -7.409 -21.929 472 HZ2 LYS 59 HZ2 LYS 59 10.876 -8.360 -21.313 473 HZ3 LYS 59 HZ3 LYS 59 10.940 -6.770 -21.045 474 H ASP 60 H ASP 60 8.791 -8.776 -14.720 475 HA ASP 60 HA ASP 60 6.289 -10.276 -15.443 476 HB2 ASP 60 HB2 ASP 60 8.991 -11.210 -14.528 477 HB3 ASP 60 HB3 ASP 60 7.630 -12.279 -14.900 478 H ALA 61 H ALA 61 6.948 -8.405 -12.961 479 HA ALA 61 HA ALA 61 6.898 -10.137 -10.719 480 HB1 ALA 61 HB1 ALA 61 6.203 -8.128 -9.474 481 HB2 ALA 61 HB2 ALA 61 5.944 -7.307 -11.006 482 HB3 ALA 61 HB3 ALA 61 7.573 -7.795 -10.551 483 H ILE 62 H ILE 62 5.270 -10.886 -9.430 484 HA ILE 62 HA ILE 62 2.581 -10.921 -10.653 485 HB ILE 62 HB ILE 62 3.680 -12.448 -8.244 486 HG12 ILE 62 HG12 ILE 62 3.096 -13.584 -11.032 487 HG13 ILE 62 HG13 ILE 62 4.650 -12.983 -10.504 488 HG21 ILE 62 HG21 ILE 62 1.311 -12.305 -7.957 489 HG22 ILE 62 HG22 ILE 62 0.979 -12.548 -9.695 490 HG23 ILE 62 HG23 ILE 62 1.564 -13.894 -8.705 491 HD11 ILE 62 HD11 ILE 62 4.640 -15.440 -10.193 492 HD12 ILE 62 HD12 ILE 62 3.182 -15.355 -9.191 493 HD13 ILE 62 HD13 ILE 62 4.700 -14.668 -8.639 494 H LEU 63 H LEU 63 1.014 -9.499 -9.838 495 HA LEU 63 HA LEU 63 1.694 -8.158 -7.257 496 HB2 LEU 63 HB2 LEU 63 1.171 -6.849 -9.274 497 HB3 LEU 63 HB3 LEU 63 -0.414 -7.531 -9.370 498 HG LEU 63 HG LEU 63 -0.337 -5.208 -8.571 499 HD11 LEU 63 HD11 LEU 63 -1.883 -5.327 -6.779 500 HD12 LEU 63 HD12 LEU 63 -1.237 -6.856 -6.207 501 HD13 LEU 63 HD13 LEU 63 -2.137 -6.832 -7.691 502 HD21 LEU 63 HD21 LEU 63 0.685 -4.528 -6.474 503 HD22 LEU 63 HD22 LEU 63 1.905 -5.400 -7.424 504 HD23 LEU 63 HD23 LEU 63 1.113 -6.208 -6.093 505 H ASP 64 H ASP 64 0.594 -8.736 -5.423 506 HA ASP 64 HA ASP 64 -2.074 -10.029 -5.722 507 HB2 ASP 64 HB2 ASP 64 -0.220 -11.727 -5.336 508 HB3 ASP 64 HB3 ASP 64 0.021 -10.979 -3.774 509 H ILE 65 H ILE 65 -3.556 -8.942 -4.473 510 HA ILE 65 HA ILE 65 -2.585 -6.951 -2.541 511 HB ILE 65 HB ILE 65 -5.336 -7.422 -3.698 512 HG12 ILE 65 HG12 ILE 65 -3.346 -5.184 -4.379 513 HG13 ILE 65 HG13 ILE 65 -3.577 -6.642 -5.358 514 HG21 ILE 65 HG21 ILE 65 -5.537 -6.311 -1.536 515 HG22 ILE 65 HG22 ILE 65 -5.777 -5.077 -2.797 516 HG23 ILE 65 HG23 ILE 65 -4.237 -5.174 -1.949 517 HD11 ILE 65 HD11 ILE 65 -4.784 -4.650 -6.234 518 HD12 ILE 65 HD12 ILE 65 -5.783 -6.119 -5.954 519 HD13 ILE 65 HD13 ILE 65 -5.872 -4.734 -4.842 520 H VAL 66 H VAL 66 -2.803 -7.121 -0.454 521 HA VAL 66 HA VAL 66 -4.651 -9.242 0.686 522 HB VAL 66 HB VAL 66 -2.159 -7.861 1.869 523 HG11 VAL 66 HG11 VAL 66 -3.959 -8.373 3.533 524 HG12 VAL 66 HG12 VAL 66 -3.896 -10.085 3.015 525 HG13 VAL 66 HG13 VAL 66 -2.469 -9.315 3.804 526 HG21 VAL 66 HG21 VAL 66 -1.602 -9.583 0.112 527 HG22 VAL 66 HG22 VAL 66 -2.576 -10.778 1.005 528 HG23 VAL 66 HG23 VAL 66 -1.098 -10.102 1.740 529 H ASP 67 H ASP 67 -6.397 -8.348 1.708 530 HA ASP 67 HA ASP 67 -6.722 -5.438 1.787 531 HB2 ASP 67 HB2 ASP 67 -8.425 -7.689 2.979 532 HB3 ASP 67 HB3 ASP 67 -8.892 -5.958 2.977 533 H GLU 68 H GLU 68 -6.484 -4.051 3.517 534 HA GLU 68 HA GLU 68 -5.827 -5.375 6.189 535 HB2 GLU 68 HB2 GLU 68 -4.451 -2.963 4.955 536 HB3 GLU 68 HB3 GLU 68 -4.216 -3.555 6.612 537 HG2 GLU 68 HG2 GLU 68 -3.377 -5.756 5.712 538 HG3 GLU 68 HG3 GLU 68 -3.438 -5.036 4.098 539 H LYS 69 H LYS 69 -6.234 -4.287 8.046 540 HA LYS 69 HA LYS 69 -8.499 -2.406 8.016 541 HB2 LYS 69 HB2 LYS 69 -6.929 -3.795 10.195 542 HB3 LYS 69 HB3 LYS 69 -7.984 -2.417 10.544 543 HG2 LYS 69 HG2 LYS 69 -9.281 -4.425 10.903 544 HG3 LYS 69 HG3 LYS 69 -9.900 -3.511 9.479 545 HD2 LYS 69 HD2 LYS 69 -8.793 -5.049 7.975 546 HD3 LYS 69 HD3 LYS 69 -8.230 -6.022 9.362 547 HE2 LYS 69 HE2 LYS 69 -10.607 -6.332 10.056 548 HE3 LYS 69 HE3 LYS 69 -11.123 -5.415 8.637 549 HZ1 LYS 69 HZ1 LYS 69 -11.242 -7.680 8.006 550 HZ2 LYS 69 HZ2 LYS 69 -9.796 -8.067 8.706 551 HZ3 LYS 69 HZ3 LYS 69 -9.829 -7.170 7.313 552 H VAL 70 H VAL 70 -8.473 -0.382 8.706 553 HA VAL 70 HA VAL 70 -6.308 1.301 8.079 554 HB VAL 70 HB VAL 70 -7.874 3.159 8.633 555 HG11 VAL 70 HG11 VAL 70 -9.633 2.633 7.043 556 HG12 VAL 70 HG12 VAL 70 -9.379 0.893 7.201 557 HG13 VAL 70 HG13 VAL 70 -8.090 1.922 6.421 558 HG21 VAL 70 HG21 VAL 70 -8.901 2.151 10.676 559 HG22 VAL 70 HG22 VAL 70 -10.115 2.688 9.517 560 HG23 VAL 70 HG23 VAL 70 -9.783 0.997 9.677 561 H GLU 71 H GLU 71 -5.401 2.985 9.278 562 HA GLU 71 HA GLU 71 -5.146 2.588 12.238 563 HB2 GLU 71 HB2 GLU 71 -2.965 2.399 11.027 564 HB3 GLU 71 HB3 GLU 71 -3.287 3.983 10.313 565 HG2 GLU 71 HG2 GLU 71 -3.226 5.005 12.538 566 HG3 GLU 71 HG3 GLU 71 -2.883 3.421 13.264 567 H LEU 72 H LEU 72 -5.761 4.410 13.393 568 HA LEU 72 HA LEU 72 -6.750 6.662 11.740 569 HB2 LEU 72 HB2 LEU 72 -7.849 5.656 14.410 570 HB3 LEU 72 HB3 LEU 72 -8.404 7.091 13.568 571 HG LEU 72 HG LEU 72 -8.697 4.223 12.449 572 HD11 LEU 72 HD11 LEU 72 -11.064 4.552 12.931 573 HD12 LEU 72 HD12 LEU 72 -10.762 6.138 13.646 574 HD13 LEU 72 HD13 LEU 72 -10.130 4.687 14.420 575 HD21 LEU 72 HD21 LEU 72 -10.296 5.416 10.847 576 HD22 LEU 72 HD22 LEU 72 -9.661 6.963 11.460 577 HD23 LEU 72 HD23 LEU 72 -8.549 5.845 10.670 578 H GLU 73 H GLU 73 -6.611 8.670 12.512 579 HA GLU 73 HA GLU 73 -4.899 9.213 14.915 580 HB2 GLU 73 HB2 GLU 73 -3.589 9.598 12.784 581 HB3 GLU 73 HB3 GLU 73 -4.939 10.655 12.216 582 HG2 GLU 73 HG2 GLU 73 -4.555 12.241 14.102 583 HG3 GLU 73 HG3 GLU 73 -3.132 11.280 14.629 584 H CYS 74 H CYS 74 -5.826 10.816 16.166 585 HA CYS 74 HA CYS 74 -8.553 11.691 15.358 586 HB2 CYS 74 HB2 CYS 74 -8.298 10.419 17.498 587 HB3 CYS 74 HB3 CYS 74 -7.236 11.724 18.065 588 H LYS 75 H LYS 75 -8.941 13.774 15.034 589 HA LYS 75 HA LYS 75 -6.718 15.548 14.588 590 HB2 LYS 75 HB2 LYS 75 -9.640 16.198 14.864 591 HB3 LYS 75 HB3 LYS 75 -8.364 17.310 14.347 592 HG2 LYS 75 HG2 LYS 75 -7.752 15.742 12.458 593 HG3 LYS 75 HG3 LYS 75 -9.100 14.728 12.918 594 HD2 LYS 75 HD2 LYS 75 -9.796 15.971 11.066 595 HD3 LYS 75 HD3 LYS 75 -10.648 16.676 12.493 596 HE2 LYS 75 HE2 LYS 75 -8.891 18.443 12.565 597 HE3 LYS 75 HE3 LYS 75 -8.129 17.719 11.127 598 HZ1 LYS 75 HZ1 LYS 75 -9.629 19.478 10.483 599 HZ2 LYS 75 HZ2 LYS 75 -10.924 18.736 11.241 600 HZ3 LYS 75 HZ3 LYS 75 -10.185 18.039 9.929 601 H ASP 76 H ASP 76 -6.288 17.608 16.124 602 HA ASP 76 HA ASP 76 -4.852 16.145 17.802 603 HB2 ASP 76 HB2 ASP 76 -5.833 19.006 18.355 604 HB3 ASP 76 HB3 ASP 76 -4.437 18.312 19.226 605 H CYS 77 H CYS 77 -5.460 14.713 18.730 606 HA CYS 77 HA CYS 77 -6.005 14.785 21.620 607 HB2 CYS 77 HB2 CYS 77 -8.291 14.284 20.575 608 HB3 CYS 77 HB3 CYS 77 -7.487 13.188 19.461 609 H SER 78 H SER 78 -3.815 13.819 21.886 610 HA SER 78 HA SER 78 -2.697 12.541 19.502 611 HB2 SER 78 HB2 SER 78 -1.461 12.836 22.223 612 HB3 SER 78 HB3 SER 78 -0.604 12.233 20.782 613 HG SER 78 HG SER 78 -0.156 14.239 20.568 614 H HIS 79 H HIS 79 -3.530 10.688 19.060 615 HA HIS 79 HA HIS 79 -3.399 8.580 20.990 616 HB2 HIS 79 HB2 HIS 79 -5.565 9.681 21.310 617 HB3 HIS 79 HB3 HIS 79 -6.087 8.939 19.851 618 HD1 HIS 79 HD1 HIS 79 -4.486 7.992 23.250 619 HD2 HIS 79 HD2 HIS 79 -6.897 6.354 20.256 620 HE1 HIS 79 HE1 HIS 79 -5.147 5.674 24.059 621 HE2 HIS 79 HE2 HIS 79 -6.495 4.624 22.185 622 H VAL 80 H VAL 80 -1.955 8.625 18.217 623 HA VAL 80 HA VAL 80 -3.864 7.346 16.506 624 HB VAL 80 HB VAL 80 -0.802 7.380 16.375 625 HG11 VAL 80 HG11 VAL 80 -2.811 7.190 14.085 626 HG12 VAL 80 HG12 VAL 80 -1.044 7.129 13.983 627 HG13 VAL 80 HG13 VAL 80 -1.910 5.790 14.760 628 HG21 VAL 80 HG21 VAL 80 -2.871 9.421 15.547 629 HG22 VAL 80 HG22 VAL 80 -1.431 9.636 16.564 630 HG23 VAL 80 HG23 VAL 80 -1.260 9.362 14.836 631 H PHE 81 H PHE 81 -4.324 5.367 16.012 632 HA PHE 81 HA PHE 81 -2.893 3.051 17.137 633 HB2 PHE 81 HB2 PHE 81 -4.792 2.366 18.480 634 HB3 PHE 81 HB3 PHE 81 -4.396 4.025 18.917 635 HD1 PHE 81 HD1 PHE 81 -5.809 5.916 17.485 636 HD2 PHE 81 HD2 PHE 81 -7.007 1.818 18.157 637 HE1 PHE 81 HE1 PHE 81 -8.134 6.556 17.104 638 HE2 PHE 81 HE2 PHE 81 -9.403 2.482 17.759 639 HZ PHE 81 HZ PHE 81 -9.937 4.899 17.221 640 H LYS 82 H LYS 82 -4.136 0.951 16.586 641 HA LYS 82 HA LYS 82 -5.497 1.297 13.928 642 HB2 LYS 82 HB2 LYS 82 -4.074 -1.089 15.137 643 HB3 LYS 82 HB3 LYS 82 -5.099 -1.170 13.710 644 HG2 LYS 82 HG2 LYS 82 -2.865 -1.139 12.948 645 HG3 LYS 82 HG3 LYS 82 -3.483 0.451 12.556 646 HD2 LYS 82 HD2 LYS 82 -2.315 1.324 14.566 647 HD3 LYS 82 HD3 LYS 82 -1.671 -0.297 14.883 648 HE2 LYS 82 HE2 LYS 82 -0.578 -0.277 12.663 649 HE3 LYS 82 HE3 LYS 82 -1.196 1.337 12.337 650 HZ1 LYS 82 HZ1 LYS 82 0.533 0.788 14.637 651 HZ2 LYS 82 HZ2 LYS 82 0.107 2.265 14.006 652 HZ3 LYS 82 HZ3 LYS 82 1.098 1.253 13.165 653 HA PRO 83 HA PRO 83 -8.907 -0.007 16.516 654 HB2 PRO 83 HB2 PRO 83 -10.985 0.483 14.776 655 HB3 PRO 83 HB3 PRO 83 -10.165 1.810 15.662 656 HG2 PRO 83 HG2 PRO 83 -9.668 0.775 12.931 657 HG3 PRO 83 HG3 PRO 83 -10.044 2.425 13.436 658 HD2 PRO 83 HD2 PRO 83 -7.496 1.677 13.090 659 HD3 PRO 83 HD3 PRO 83 -7.890 2.694 14.484 660 H ASN 84 H ASN 84 -10.344 -1.922 16.440 661 HA ASN 84 HA ASN 84 -9.826 -3.784 14.136 662 HB2 ASN 84 HB2 ASN 84 -10.088 -4.322 17.091 663 HB3 ASN 84 HB3 ASN 84 -9.978 -5.567 15.867 664 HD21 ASN 84 HD21 ASN 84 -8.265 -4.160 18.170 665 HD22 ASN 84 HD22 ASN 84 -6.675 -4.195 17.431 666 H ALA 85 H ALA 85 -12.129 -1.830 15.315 667 HA ALA 85 HA ALA 85 -14.270 -3.843 15.029 668 HB1 ALA 85 HB1 ALA 85 -15.556 -2.529 16.734 669 HB2 ALA 85 HB2 ALA 85 -14.081 -1.573 17.032 670 HB3 ALA 85 HB3 ALA 85 -14.139 -3.296 17.372 671 H LEU 86 H LEU 86 -16.325 -3.020 14.519 672 HA LEU 86 HA LEU 86 -16.304 -1.618 12.058 673 HB2 LEU 86 HB2 LEU 86 -18.610 -2.307 13.858 674 HB3 LEU 86 HB3 LEU 86 -18.715 -1.883 12.156 675 HG LEU 86 HG LEU 86 -17.344 -4.347 13.213 676 HD11 LEU 86 HD11 LEU 86 -20.039 -3.988 11.881 677 HD12 LEU 86 HD12 LEU 86 -19.786 -4.415 13.576 678 HD13 LEU 86 HD13 LEU 86 -19.305 -5.555 12.345 679 HD21 LEU 86 HD21 LEU 86 -17.901 -3.285 10.440 680 HD22 LEU 86 HD22 LEU 86 -16.337 -3.751 11.159 681 HD23 LEU 86 HD23 LEU 86 -17.490 -5.005 10.753 682 H ASP 87 H ASP 87 -16.401 -0.290 15.230 683 HA ASP 87 HA ASP 87 -18.104 1.940 14.558 684 HB2 ASP 87 HB2 ASP 87 -17.688 2.734 16.734 685 HB3 ASP 87 HB3 ASP 87 -18.014 1.009 16.800 686 H TYR 88 H TYR 88 -16.087 1.675 12.715 687 HA TYR 88 HA TYR 88 -13.771 3.312 13.143 688 HB2 TYR 88 HB2 TYR 88 -15.373 2.838 10.640 689 HB3 TYR 88 HB3 TYR 88 -13.743 3.514 10.686 690 HD1 TYR 88 HD1 TYR 88 -15.730 0.479 10.637 691 HD2 TYR 88 HD2 TYR 88 -11.809 2.011 11.527 692 HE1 TYR 88 HE1 TYR 88 -14.801 -1.841 10.438 693 HE2 TYR 88 HE2 TYR 88 -10.919 -0.321 11.380 694 HH TYR 88 HH TYR 88 -12.966 -3.153 10.667 695 H GLY 89 H GLY 89 -13.391 5.493 12.485 696 HA2 GLY 89 HA2 GLY 89 -14.035 7.591 11.798 697 HA3 GLY 89 HA3 GLY 89 -15.735 7.216 11.877 698 H VAL 90 H VAL 90 -14.226 6.210 14.726 699 HA VAL 90 HA VAL 90 -14.317 8.911 15.938 700 HB VAL 90 HB VAL 90 -15.357 7.978 18.032 701 HG11 VAL 90 HG11 VAL 90 -16.789 9.106 16.406 702 HG12 VAL 90 HG12 VAL 90 -17.066 7.542 15.553 703 HG13 VAL 90 HG13 VAL 90 -17.672 7.771 17.224 704 HG21 VAL 90 HG21 VAL 90 -16.451 5.849 18.096 705 HG22 VAL 90 HG22 VAL 90 -14.704 5.642 17.720 706 HG23 VAL 90 HG23 VAL 90 -15.933 5.499 16.433 707 H CYS 91 H CYS 91 -13.046 9.000 17.880 708 HA CYS 91 HA CYS 91 -10.548 7.420 17.703 709 HB2 CYS 91 HB2 CYS 91 -10.721 9.926 18.200 710 HB3 CYS 91 HB3 CYS 91 -11.606 9.485 19.681 711 H GLU 92 H GLU 92 -9.801 6.394 19.862 712 HA GLU 92 HA GLU 92 -12.156 5.138 21.209 713 HB2 GLU 92 HB2 GLU 92 -10.801 3.373 21.853 714 HB3 GLU 92 HB3 GLU 92 -10.620 3.633 20.124 715 HG2 GLU 92 HG2 GLU 92 -8.521 4.762 20.532 716 HG3 GLU 92 HG3 GLU 92 -8.695 4.457 22.210 717 H LYS 93 H LYS 93 -9.541 7.366 21.640 718 HA LYS 93 HA LYS 93 -9.161 7.125 24.489 719 HB2 LYS 93 HB2 LYS 93 -7.658 8.270 22.849 720 HB3 LYS 93 HB3 LYS 93 -8.902 9.514 22.642 721 HG2 LYS 93 HG2 LYS 93 -7.293 10.390 24.085 722 HG3 LYS 93 HG3 LYS 93 -8.695 10.083 25.015 723 HD2 LYS 93 HD2 LYS 93 -7.749 8.014 25.754 724 HD3 LYS 93 HD3 LYS 93 -6.303 8.312 24.907 725 HE2 LYS 93 HE2 LYS 93 -5.940 10.363 26.174 726 HE3 LYS 93 HE3 LYS 93 -7.402 10.007 27.133 727 HZ1 LYS 93 HZ1 LYS 93 -5.286 9.271 28.169 728 HZ2 LYS 93 HZ2 LYS 93 -5.036 8.216 26.934 729 HZ3 LYS 93 HZ3 LYS 93 -6.337 8.002 27.970 730 H CYS 94 H CYS 94 -11.193 8.855 22.300 731 HA CYS 94 HA CYS 94 -13.176 9.771 24.295 732 HB2 CYS 94 HB2 CYS 94 -13.201 11.995 23.160 733 HB3 CYS 94 HB3 CYS 94 -11.558 11.702 23.775 734 H HIS 95 H HIS 95 -15.209 10.031 22.687 735 HA HIS 95 HA HIS 95 -14.700 8.192 20.312 736 HB2 HIS 95 HB2 HIS 95 -17.196 8.438 21.989 737 HB3 HIS 95 HB3 HIS 95 -17.061 7.462 20.503 738 HD1 HIS 95 HD1 HIS 95 -17.933 6.039 23.093 739 HD2 HIS 95 HD2 HIS 95 -13.927 6.433 21.809 740 HE1 HIS 95 HE1 HIS 95 -16.598 4.145 24.143 741 HE2 HIS 95 HE2 HIS 95 -14.192 4.379 23.365 742 H SER 96 H SER 96 -14.275 10.927 20.505 743 HA SER 96 HA SER 96 -16.545 12.358 19.395 744 HB2 SER 96 HB2 SER 96 -14.749 13.545 20.625 745 HB3 SER 96 HB3 SER 96 -13.581 13.060 19.390 746 HG SER 96 HG SER 96 -14.556 14.359 17.927 747 H LYS 97 H LYS 97 -16.911 12.790 17.161 748 HA LYS 97 HA LYS 97 -15.470 11.111 15.195 749 HB2 LYS 97 HB2 LYS 97 -17.712 13.156 14.894 750 HB3 LYS 97 HB3 LYS 97 -16.998 12.250 13.571 751 HG2 LYS 97 HG2 LYS 97 -17.697 10.122 14.738 752 HG3 LYS 97 HG3 LYS 97 -18.511 11.112 15.962 753 HD2 LYS 97 HD2 LYS 97 -20.159 10.434 14.393 754 HD3 LYS 97 HD3 LYS 97 -19.867 12.152 14.026 755 HE2 LYS 97 HE2 LYS 97 -18.337 11.399 12.183 756 HE3 LYS 97 HE3 LYS 97 -18.659 9.726 12.600 757 HZ1 LYS 97 HZ1 LYS 97 -20.667 11.678 11.674 758 HZ2 LYS 97 HZ2 LYS 97 -20.040 10.464 10.790 759 HZ3 LYS 97 HZ3 LYS 97 -21.027 10.119 12.086 760 H ASN 98 H ASN 98 -14.487 12.351 13.406 761 HA ASN 98 HA ASN 98 -13.296 14.189 12.420 762 HB2 ASN 98 HB2 ASN 98 -13.019 15.391 15.190 763 HB3 ASN 98 HB3 ASN 98 -12.269 15.943 13.687 764 HD21 ASN 98 HD21 ASN 98 -14.076 17.369 15.443 765 HD22 ASN 98 HD22 ASN 98 -15.419 17.857 14.435 766 H VAL 99 H VAL 99 -12.615 11.739 12.658 767 HA VAL 99 HA VAL 99 -9.789 11.892 13.529 768 HB VAL 99 HB VAL 99 -9.767 9.385 13.657 769 HG11 VAL 99 HG11 VAL 99 -10.839 9.127 15.705 770 HG12 VAL 99 HG12 VAL 99 -12.012 10.436 15.370 771 HG13 VAL 99 HG13 VAL 99 -10.317 10.801 15.622 772 HG21 VAL 99 HG21 VAL 99 -11.846 8.119 13.699 773 HG22 VAL 99 HG22 VAL 99 -12.741 9.541 13.166 774 HG23 VAL 99 HG23 VAL 99 -11.533 8.809 12.094 775 H ILE 100 H ILE 100 -8.321 10.718 12.016 776 HA ILE 100 HA ILE 100 -9.500 10.682 9.267 777 HB ILE 100 HB ILE 100 -7.468 11.663 8.365 778 HG12 ILE 100 HG12 ILE 100 -6.538 12.255 11.187 779 HG13 ILE 100 HG13 ILE 100 -5.953 10.856 10.243 780 HG21 ILE 100 HG21 ILE 100 -7.775 14.002 9.101 781 HG22 ILE 100 HG22 ILE 100 -8.593 13.452 10.601 782 HG23 ILE 100 HG23 ILE 100 -9.355 13.218 9.013 783 HD11 ILE 100 HD11 ILE 100 -5.589 13.813 9.634 784 HD12 ILE 100 HD12 ILE 100 -5.177 12.518 8.471 785 HD13 ILE 100 HD13 ILE 100 -4.333 12.601 10.045 786 H ILE 101 H ILE 101 -8.129 9.397 7.808 787 HA ILE 101 HA ILE 101 -7.117 7.014 9.301 788 HB ILE 101 HB ILE 101 -7.843 7.366 6.354 789 HG12 ILE 101 HG12 ILE 101 -9.324 5.922 8.530 790 HG13 ILE 101 HG13 ILE 101 -9.724 7.565 8.005 791 HG21 ILE 101 HG21 ILE 101 -6.142 5.637 6.762 792 HG22 ILE 101 HG22 ILE 101 -7.106 4.956 8.034 793 HG23 ILE 101 HG23 ILE 101 -7.726 4.842 6.391 794 HD11 ILE 101 HD11 ILE 101 -9.999 4.993 6.467 795 HD12 ILE 101 HD12 ILE 101 -11.274 6.221 6.899 796 HD13 ILE 101 HD13 ILE 101 -10.032 6.604 5.686 797 H THR 102 H THR 102 -4.916 6.674 9.350 798 HA THR 102 HA THR 102 -3.307 8.338 7.432 799 HB THR 102 HB THR 102 -1.499 8.225 9.097 800 HG1 THR 102 HG1 THR 102 -1.940 6.281 10.142 801 HG21 THR 102 HG21 THR 102 -3.306 9.971 9.141 802 HG22 THR 102 HG22 THR 102 -2.472 9.748 10.703 803 HG23 THR 102 HG23 THR 102 -4.097 9.045 10.455 804 H GLN 103 H GLN 103 -4.017 5.081 8.293 805 HA GLN 103 HA GLN 103 -2.034 4.139 6.250 806 HB2 GLN 103 HB2 GLN 103 -1.075 3.536 8.524 807 HB3 GLN 103 HB3 GLN 103 -2.570 2.657 8.839 808 HG2 GLN 103 HG2 GLN 103 -2.193 1.214 6.911 809 HG3 GLN 103 HG3 GLN 103 -0.694 2.015 6.588 810 HE21 GLN 103 HE21 GLN 103 -1.910 -0.725 7.909 811 HE22 GLN 103 HE22 GLN 103 -0.696 -1.088 9.108 812 H GLY 104 H GLY 104 -3.068 2.573 4.949 813 HA2 GLY 104 HA2 GLY 104 -4.873 1.184 4.383 814 HA3 GLY 104 HA3 GLY 104 -5.760 1.654 5.874 815 H ASN 105 H ASN 105 -4.536 4.403 4.472 816 HA ASN 105 HA ASN 105 -7.211 5.110 3.355 817 HB2 ASN 105 HB2 ASN 105 -6.315 7.381 3.330 818 HB3 ASN 105 HB3 ASN 105 -6.055 6.716 4.921 819 HD21 ASN 105 HD21 ASN 105 -4.644 8.795 3.104 820 HD22 ASN 105 HD22 ASN 105 -2.986 8.392 3.389 821 H GLU 106 H GLU 106 -4.155 3.913 2.600 822 HA GLU 106 HA GLU 106 -4.619 4.259 -0.288 823 HB2 GLU 106 HB2 GLU 106 -2.100 5.093 1.134 824 HB3 GLU 106 HB3 GLU 106 -2.279 4.890 -0.594 825 HG2 GLU 106 HG2 GLU 106 -4.002 6.633 -0.569 826 HG3 GLU 106 HG3 GLU 106 -3.714 6.901 1.141 827 H MET 107 H MET 107 -1.522 3.353 -0.082 828 HA MET 107 HA MET 107 -2.070 0.456 0.268 829 HB2 MET 107 HB2 MET 107 -2.327 1.302 -2.057 830 HB3 MET 107 HB3 MET 107 -0.673 1.943 -1.988 831 HG2 MET 107 HG2 MET 107 -1.353 -0.985 -1.794 832 HG3 MET 107 HG3 MET 107 -1.036 -0.164 -3.298 833 HE1 MET 107 HE1 MET 107 1.280 1.831 -2.702 834 HE2 MET 107 HE2 MET 107 1.083 0.767 -4.107 835 HE3 MET 107 HE3 MET 107 2.632 0.815 -3.232 836 H ARG 108 H ARG 108 -0.241 -0.801 0.798 837 HA ARG 108 HA ARG 108 2.300 0.593 1.573 838 HB2 ARG 108 HB2 ARG 108 0.686 0.365 3.478 839 HB3 ARG 108 HB3 ARG 108 0.701 -1.396 3.216 840 HG2 ARG 108 HG2 ARG 108 3.103 -1.464 3.781 841 HG3 ARG 108 HG3 ARG 108 3.071 0.312 4.075 842 HD2 ARG 108 HD2 ARG 108 1.379 -0.063 5.847 843 HD3 ARG 108 HD3 ARG 108 1.495 -1.799 5.588 844 HE ARG 108 HE ARG 108 4.111 -0.667 5.995 845 HH11 ARG 108 HH11 ARG 108 1.275 -1.546 7.900 846 HH12 ARG 108 HH12 ARG 108 2.175 -1.561 9.391 847 HH21 ARG 108 HH21 ARG 108 5.162 -0.789 7.944 848 HH22 ARG 108 HH22 ARG 108 4.285 -1.192 9.393 849 H LEU 109 H LEU 109 4.165 -0.825 1.341 850 HA LEU 109 HA LEU 109 3.697 -3.348 -0.199 851 HB2 LEU 109 HB2 LEU 109 6.188 -1.871 0.814 852 HB3 LEU 109 HB3 LEU 109 6.277 -3.473 0.124 853 HG LEU 109 HG LEU 109 5.228 -1.122 -1.429 854 HD11 LEU 109 HD11 LEU 109 8.012 -2.463 -1.245 855 HD12 LEU 109 HD12 LEU 109 7.577 -0.729 -0.862 856 HD13 LEU 109 HD13 LEU 109 7.509 -1.333 -2.561 857 HD21 LEU 109 HD21 LEU 109 4.428 -3.262 -2.226 858 HD22 LEU 109 HD22 LEU 109 6.038 -4.014 -2.091 859 HD23 LEU 109 HD23 LEU 109 5.735 -2.771 -3.322 860 H LEU 110 H LEU 110 3.786 -5.388 0.656 861 HA LEU 110 HA LEU 110 4.457 -5.449 3.568 862 HB2 LEU 110 HB2 LEU 110 3.021 -7.553 1.898 863 HB3 LEU 110 HB3 LEU 110 3.276 -7.609 3.669 864 HG LEU 110 HG LEU 110 1.619 -5.515 2.154 865 HD11 LEU 110 HD11 LEU 110 0.556 -7.629 2.038 866 HD12 LEU 110 HD12 LEU 110 -0.298 -6.679 3.281 867 HD13 LEU 110 HD13 LEU 110 0.853 -7.954 3.750 868 HD21 LEU 110 HD21 LEU 110 0.802 -4.740 4.294 869 HD22 LEU 110 HD22 LEU 110 2.595 -4.673 4.317 870 HD23 LEU 110 HD23 LEU 110 1.757 -6.005 5.148 871 H SER 111 H SER 111 5.077 -7.307 0.530 872 HA SER 111 HA SER 111 7.740 -8.032 1.555 873 HB2 SER 111 HB2 SER 111 5.682 -10.133 0.807 874 HB3 SER 111 HB3 SER 111 7.387 -10.424 1.169 875 HG SER 111 HG SER 111 6.309 -8.967 3.133 876 H LEU 112 H LEU 112 9.135 -8.811 -0.223 877 HA LEU 112 HA LEU 112 7.859 -8.695 -2.986 878 HB2 LEU 112 HB2 LEU 112 10.529 -7.532 -2.097 879 HB3 LEU 112 HB3 LEU 112 10.012 -7.726 -3.772 880 HG LEU 112 HG LEU 112 8.287 -5.995 -3.435 881 HD11 LEU 112 HD11 LEU 112 7.707 -5.836 -1.179 882 HD12 LEU 112 HD12 LEU 112 9.415 -5.750 -0.628 883 HD13 LEU 112 HD13 LEU 112 8.618 -4.367 -1.482 884 HD21 LEU 112 HD21 LEU 112 11.189 -5.393 -2.815 885 HD22 LEU 112 HD22 LEU 112 10.352 -5.394 -4.363 886 HD23 LEU 112 HD23 LEU 112 10.003 -4.116 -3.230 887 H GLU 113 H GLU 113 8.721 -10.303 -4.345 888 HA GLU 113 HA GLU 113 10.778 -12.137 -3.094 889 HB2 GLU 113 HB2 GLU 113 8.699 -13.222 -4.060 890 HB3 GLU 113 HB3 GLU 113 9.141 -12.556 -5.619 891 HG2 GLU 113 HG2 GLU 113 9.843 -14.762 -5.720 892 HG3 GLU 113 HG3 GLU 113 11.324 -13.834 -5.470 893 H MET 114 H MET 114 12.850 -11.933 -3.804 894 HA MET 114 HA MET 114 13.202 -10.239 -6.216 895 HB2 MET 114 HB2 MET 114 14.605 -9.999 -3.540 896 HB3 MET 114 HB3 MET 114 14.960 -8.989 -4.927 897 HG2 MET 114 HG2 MET 114 12.570 -8.083 -4.824 898 HG3 MET 114 HG3 MET 114 12.235 -9.156 -3.476 899 HE1 MET 114 HE1 MET 114 14.664 -5.450 -3.139 900 HE2 MET 114 HE2 MET 114 13.442 -5.745 -4.362 901 HE3 MET 114 HE3 MET 114 14.962 -6.646 -4.403 902 H LEU 115 H LEU 115 15.102 -10.514 -7.416 903 HA LEU 115 HA LEU 115 16.631 -13.033 -6.814 904 HB2 LEU 115 HB2 LEU 115 16.206 -11.636 -9.417 905 HB3 LEU 115 HB3 LEU 115 17.131 -13.120 -9.166 906 HG LEU 115 HG LEU 115 14.168 -12.835 -8.701 907 HD11 LEU 115 HD11 LEU 115 14.012 -14.178 -10.828 908 HD12 LEU 115 HD12 LEU 115 15.768 -14.011 -11.033 909 HD13 LEU 115 HD13 LEU 115 14.714 -12.554 -11.073 910 HD21 LEU 115 HD21 LEU 115 14.168 -15.365 -8.577 911 HD22 LEU 115 HD22 LEU 115 15.191 -14.623 -7.300 912 HD23 LEU 115 HD23 LEU 115 15.964 -15.317 -8.729 913 H ALA 116 H ALA 116 18.736 -12.856 -6.372 914 HA ALA 116 HA ALA 116 19.920 -10.276 -5.973 915 HB1 ALA 116 HB1 ALA 116 21.989 -11.511 -5.502 916 HB2 ALA 116 HB2 ALA 116 21.261 -12.977 -6.166 917 HB3 ALA 116 HB3 ALA 116 20.580 -12.247 -4.684 918 H GLU 117 H GLU 117 21.648 -9.244 -6.949 919 HA GLU 117 HA GLU 117 21.501 -9.103 -9.778 920 HB2 GLU 117 HB2 GLU 117 23.111 -7.325 -9.566 921 HB3 GLU 117 HB3 GLU 117 21.984 -7.239 -8.195 922 HG2 GLU 117 HG2 GLU 117 23.730 -8.419 -6.759 923 HG3 GLU 117 HG3 GLU 117 24.849 -8.374 -8.172 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -1.845 8.541 -4.422 2 H2 MET 1 H2 MET 1 -2.095 9.794 -3.352 3 H3 MET 1 H3 MET 1 -2.184 10.063 -4.968 4 HA MET 1 HA MET 1 -3.978 8.303 -3.514 5 HB2 MET 1 HB2 MET 1 -4.281 10.617 -2.824 6 HB3 MET 1 HB3 MET 1 -4.541 11.102 -4.486 7 HG2 MET 1 HG2 MET 1 -6.510 9.583 -4.569 8 HG3 MET 1 HG3 MET 1 -6.244 9.154 -2.859 9 HE1 MET 1 HE1 MET 1 -7.269 12.414 -0.977 10 HE2 MET 1 HE2 MET 1 -5.640 11.956 -1.475 11 HE3 MET 1 HE3 MET 1 -6.725 10.706 -0.856 12 H HIS 2 H HIS 2 -3.322 10.077 -6.644 13 HA HIS 2 HA HIS 2 -5.552 8.850 -7.955 14 HB2 HIS 2 HB2 HIS 2 -2.993 10.036 -8.998 15 HB3 HIS 2 HB3 HIS 2 -4.346 9.581 -10.008 16 HD1 HIS 2 HD1 HIS 2 -3.435 12.501 -10.040 17 HD2 HIS 2 HD2 HIS 2 -6.256 11.053 -7.289 18 HE1 HIS 2 HE1 HIS 2 -4.768 14.500 -9.199 19 HE2 HIS 2 HE2 HIS 2 -6.500 13.609 -7.561 20 H GLU 3 H GLU 3 -5.626 6.966 -9.352 21 HA GLU 3 HA GLU 3 -4.271 4.905 -7.985 22 HB2 GLU 3 HB2 GLU 3 -5.583 4.676 -10.711 23 HB3 GLU 3 HB3 GLU 3 -5.246 3.348 -9.591 24 HG2 GLU 3 HG2 GLU 3 -7.130 5.737 -9.216 25 HG3 GLU 3 HG3 GLU 3 -7.654 4.093 -9.583 26 H TYR 4 H TYR 4 -3.731 6.172 -11.268 27 HA TYR 4 HA TYR 4 -1.573 4.337 -11.884 28 HB2 TYR 4 HB2 TYR 4 -2.524 6.904 -13.159 29 HB3 TYR 4 HB3 TYR 4 -1.184 5.907 -13.820 30 HD1 TYR 4 HD1 TYR 4 -1.570 3.972 -15.084 31 HD2 TYR 4 HD2 TYR 4 -4.894 5.875 -13.075 32 HE1 TYR 4 HE1 TYR 4 -3.163 2.450 -16.222 33 HE2 TYR 4 HE2 TYR 4 -6.458 4.379 -14.256 34 HH TYR 4 HH TYR 4 -6.717 2.637 -15.748 35 H SER 5 H SER 5 -1.803 7.397 -10.270 36 HA SER 5 HA SER 5 1.059 7.970 -10.609 37 HB2 SER 5 HB2 SER 5 -0.679 9.776 -10.166 38 HB3 SER 5 HB3 SER 5 -1.018 9.043 -8.551 39 HG SER 5 HG SER 5 1.490 10.099 -9.484 40 H VAL 6 H VAL 6 -0.975 6.428 -8.073 41 HA VAL 6 HA VAL 6 1.136 6.190 -6.179 42 HB VAL 6 HB VAL 6 -1.354 4.473 -6.484 43 HG11 VAL 6 HG11 VAL 6 0.221 3.228 -5.192 44 HG12 VAL 6 HG12 VAL 6 0.711 4.664 -4.263 45 HG13 VAL 6 HG13 VAL 6 -0.866 4.016 -4.004 46 HG21 VAL 6 HG21 VAL 6 -2.237 5.826 -4.615 47 HG22 VAL 6 HG22 VAL 6 -1.737 6.913 -5.975 48 HG23 VAL 6 HG23 VAL 6 -0.732 6.766 -4.563 49 H VAL 7 H VAL 7 -0.084 4.129 -8.808 50 HA VAL 7 HA VAL 7 1.826 2.014 -8.321 51 HB VAL 7 HB VAL 7 0.362 2.799 -10.886 52 HG11 VAL 7 HG11 VAL 7 2.419 1.540 -11.369 53 HG12 VAL 7 HG12 VAL 7 0.977 0.593 -11.657 54 HG13 VAL 7 HG13 VAL 7 1.951 0.269 -10.222 55 HG21 VAL 7 HG21 VAL 7 -0.135 0.655 -8.759 56 HG22 VAL 7 HG22 VAL 7 -1.042 0.832 -10.265 57 HG23 VAL 7 HG23 VAL 7 -1.085 2.094 -9.024 58 H SER 8 H SER 8 1.929 4.997 -10.344 59 HA SER 8 HA SER 8 4.396 4.338 -11.608 60 HB2 SER 8 HB2 SER 8 3.001 6.310 -12.249 61 HB3 SER 8 HB3 SER 8 3.420 7.126 -10.741 62 HG SER 8 HG SER 8 5.366 6.185 -12.610 63 H SER 9 H SER 9 3.791 5.713 -8.354 64 HA SER 9 HA SER 9 6.617 6.099 -7.810 65 HB2 SER 9 HB2 SER 9 5.955 6.582 -5.579 66 HB3 SER 9 HB3 SER 9 4.900 7.487 -6.696 67 HG SER 9 HG SER 9 3.581 5.275 -6.260 68 H LEU 10 H LEU 10 4.382 3.427 -7.676 69 HA LEU 10 HA LEU 10 5.750 1.918 -5.576 70 HB2 LEU 10 HB2 LEU 10 3.336 1.485 -6.253 71 HB3 LEU 10 HB3 LEU 10 3.912 0.969 -7.841 72 HG LEU 10 HG LEU 10 5.188 -0.829 -6.837 73 HD11 LEU 10 HD11 LEU 10 3.941 0.060 -4.205 74 HD12 LEU 10 HD12 LEU 10 5.664 0.001 -4.569 75 HD13 LEU 10 HD13 LEU 10 4.695 -1.469 -4.451 76 HD21 LEU 10 HD21 LEU 10 2.760 -1.119 -7.564 77 HD22 LEU 10 HD22 LEU 10 3.390 -2.337 -6.425 78 HD23 LEU 10 HD23 LEU 10 2.328 -1.041 -5.872 79 H ILE 11 H ILE 11 5.809 2.080 -9.183 80 HA ILE 11 HA ILE 11 7.497 -0.194 -9.402 81 HB ILE 11 HB ILE 11 7.266 2.248 -11.252 82 HG12 ILE 11 HG12 ILE 11 5.100 1.084 -10.925 83 HG13 ILE 11 HG13 ILE 11 5.714 0.897 -12.537 84 HG21 ILE 11 HG21 ILE 11 8.101 0.486 -13.003 85 HG22 ILE 11 HG22 ILE 11 8.654 -0.472 -11.588 86 HG23 ILE 11 HG23 ILE 11 9.279 1.174 -11.885 87 HD11 ILE 11 HD11 ILE 11 6.183 -1.388 -12.261 88 HD12 ILE 11 HD12 ILE 11 4.607 -1.169 -11.520 89 HD13 ILE 11 HD13 ILE 11 6.065 -1.326 -10.478 90 H ALA 12 H ALA 12 8.219 3.329 -9.035 91 HA ALA 12 HA ALA 12 11.057 2.995 -9.316 92 HB1 ALA 12 HB1 ALA 12 11.176 5.224 -8.251 93 HB2 ALA 12 HB2 ALA 12 9.467 5.093 -7.821 94 HB3 ALA 12 HB3 ALA 12 9.920 5.177 -9.534 95 H LEU 13 H LEU 13 8.824 2.873 -6.599 96 HA LEU 13 HA LEU 13 10.785 2.825 -4.556 97 HB2 LEU 13 HB2 LEU 13 8.336 3.278 -4.276 98 HB3 LEU 13 HB3 LEU 13 8.008 1.606 -4.655 99 HG LEU 13 HG LEU 13 9.153 0.934 -2.603 100 HD11 LEU 13 HD11 LEU 13 9.667 2.690 -0.902 101 HD12 LEU 13 HD12 LEU 13 9.353 3.928 -2.160 102 HD13 LEU 13 HD13 LEU 13 10.736 2.819 -2.274 103 HD21 LEU 13 HD21 LEU 13 7.352 1.761 -1.109 104 HD22 LEU 13 HD22 LEU 13 6.971 3.038 -2.322 105 HD23 LEU 13 HD23 LEU 13 6.708 1.304 -2.688 106 H CYS 14 H CYS 14 9.259 0.375 -6.601 107 HA CYS 14 HA CYS 14 10.464 -1.921 -5.290 108 HB2 CYS 14 HB2 CYS 14 9.515 -1.578 -8.170 109 HB3 CYS 14 HB3 CYS 14 9.975 -3.079 -7.429 110 HG CYS 14 HG CYS 14 7.505 -1.077 -6.486 111 H GLU 15 H GLU 15 11.462 0.216 -8.009 112 HA GLU 15 HA GLU 15 13.779 -1.308 -8.653 113 HB2 GLU 15 HB2 GLU 15 13.230 1.641 -8.878 114 HB3 GLU 15 HB3 GLU 15 14.616 0.823 -9.578 115 HG2 GLU 15 HG2 GLU 15 13.152 -0.568 -10.923 116 HG3 GLU 15 HG3 GLU 15 11.783 0.277 -10.284 117 H GLU 16 H GLU 16 13.207 1.307 -6.206 118 HA GLU 16 HA GLU 16 16.064 1.449 -5.757 119 HB2 GLU 16 HB2 GLU 16 15.744 2.874 -3.889 120 HB3 GLU 16 HB3 GLU 16 14.592 3.363 -5.097 121 HG2 GLU 16 HG2 GLU 16 12.844 2.241 -3.866 122 HG3 GLU 16 HG3 GLU 16 14.014 1.739 -2.672 123 H HIS 17 H HIS 17 13.420 -0.465 -4.438 124 HA HIS 17 HA HIS 17 14.993 -1.535 -2.257 125 HB2 HIS 17 HB2 HIS 17 12.612 -2.651 -3.676 126 HB3 HIS 17 HB3 HIS 17 13.429 -3.478 -2.325 127 HD1 HIS 17 HD1 HIS 17 13.638 -2.009 -0.033 128 HD2 HIS 17 HD2 HIS 17 10.637 -0.913 -2.744 129 HE1 HIS 17 HE1 HIS 17 11.945 -0.625 1.281 130 HE2 HIS 17 HE2 HIS 17 10.151 0.030 -0.385 131 H ALA 18 H ALA 18 14.593 -2.356 -5.679 132 HA ALA 18 HA ALA 18 16.066 -4.798 -5.467 133 HB1 ALA 18 HB1 ALA 18 15.986 -2.842 -7.800 134 HB2 ALA 18 HB2 ALA 18 14.824 -4.078 -7.499 135 HB3 ALA 18 HB3 ALA 18 16.485 -4.525 -7.877 136 H LYS 19 H LYS 19 17.139 -1.420 -5.861 137 HA LYS 19 HA LYS 19 19.944 -2.062 -6.039 138 HB2 LYS 19 HB2 LYS 19 18.546 0.406 -5.015 139 HB3 LYS 19 HB3 LYS 19 20.303 0.296 -5.358 140 HG2 LYS 19 HG2 LYS 19 19.757 -0.132 -7.764 141 HG3 LYS 19 HG3 LYS 19 18.030 -0.088 -7.352 142 HD2 LYS 19 HD2 LYS 19 18.558 1.972 -8.355 143 HD3 LYS 19 HD3 LYS 19 18.245 2.224 -6.607 144 HE2 LYS 19 HE2 LYS 19 20.673 2.322 -6.200 145 HE3 LYS 19 HE3 LYS 19 20.975 2.093 -7.939 146 HZ1 LYS 19 HZ1 LYS 19 19.559 4.414 -6.662 147 HZ2 LYS 19 HZ2 LYS 19 19.611 4.160 -8.280 148 HZ3 LYS 19 HZ3 LYS 19 20.999 4.444 -7.464 149 H LYS 20 H LYS 20 17.792 -1.468 -3.276 150 HA LYS 20 HA LYS 20 19.929 -1.339 -1.349 151 HB2 LYS 20 HB2 LYS 20 16.966 -1.806 -1.143 152 HB3 LYS 20 HB3 LYS 20 18.007 -1.697 0.277 153 HG2 LYS 20 HG2 LYS 20 18.589 0.575 -0.353 154 HG3 LYS 20 HG3 LYS 20 17.517 0.491 -1.728 155 HD2 LYS 20 HD2 LYS 20 15.609 0.055 -0.232 156 HD3 LYS 20 HD3 LYS 20 16.719 0.305 1.160 157 HE2 LYS 20 HE2 LYS 20 17.304 2.536 0.252 158 HE3 LYS 20 HE3 LYS 20 16.094 2.290 -1.029 159 HZ1 LYS 20 HZ1 LYS 20 15.594 2.625 1.818 160 HZ2 LYS 20 HZ2 LYS 20 14.423 2.093 0.789 161 HZ3 LYS 20 HZ3 LYS 20 15.105 3.593 0.599 162 H ASN 21 H ASN 21 18.060 -3.919 -2.822 163 HA ASN 21 HA ASN 21 19.105 -5.787 -0.791 164 HB2 ASN 21 HB2 ASN 21 16.616 -5.697 -1.511 165 HB3 ASN 21 HB3 ASN 21 17.148 -6.417 -3.048 166 HD21 ASN 21 HD21 ASN 21 16.556 -8.471 -3.010 167 HD22 ASN 21 HD22 ASN 21 16.808 -9.593 -1.692 168 H GLN 22 H GLN 22 20.288 -4.545 -3.537 169 HA GLN 22 HA GLN 22 21.824 -5.267 -5.130 170 HB2 GLN 22 HB2 GLN 22 22.313 -7.410 -3.046 171 HB3 GLN 22 HB3 GLN 22 23.380 -7.079 -4.401 172 HG2 GLN 22 HG2 GLN 22 23.800 -4.804 -3.538 173 HG3 GLN 22 HG3 GLN 22 22.669 -5.082 -2.201 174 HE21 GLN 22 HE21 GLN 22 25.897 -5.013 -3.041 175 HE22 GLN 22 HE22 GLN 22 26.505 -6.028 -1.768 176 H ALA 23 H ALA 23 19.258 -5.865 -5.738 177 HA ALA 23 HA ALA 23 19.423 -8.620 -6.911 178 HB1 ALA 23 HB1 ALA 23 16.983 -7.126 -5.751 179 HB2 ALA 23 HB2 ALA 23 17.746 -8.596 -5.071 180 HB3 ALA 23 HB3 ALA 23 16.915 -8.690 -6.647 181 H HIS 24 H HIS 24 18.512 -8.799 -9.025 182 HA HIS 24 HA HIS 24 18.461 -6.156 -10.414 183 HB2 HIS 24 HB2 HIS 24 19.184 -7.241 -12.379 184 HB3 HIS 24 HB3 HIS 24 20.146 -7.861 -11.057 185 HD1 HIS 24 HD1 HIS 24 17.983 -8.813 -13.863 186 HD2 HIS 24 HD2 HIS 24 19.163 -10.586 -10.262 187 HE1 HIS 24 HE1 HIS 24 17.431 -11.326 -14.023 188 HE2 HIS 24 HE2 HIS 24 18.156 -12.372 -11.833 189 H LYS 25 H LYS 25 16.392 -8.803 -9.542 190 HA LYS 25 HA LYS 25 14.233 -7.576 -11.144 191 HB2 LYS 25 HB2 LYS 25 15.372 -9.212 -12.613 192 HB3 LYS 25 HB3 LYS 25 14.948 -10.486 -11.426 193 HG2 LYS 25 HG2 LYS 25 12.561 -10.024 -11.890 194 HG3 LYS 25 HG3 LYS 25 13.023 -8.732 -13.014 195 HD2 LYS 25 HD2 LYS 25 14.264 -10.377 -14.367 196 HD3 LYS 25 HD3 LYS 25 13.683 -11.674 -13.287 197 HE2 LYS 25 HE2 LYS 25 11.372 -11.089 -13.820 198 HE3 LYS 25 HE3 LYS 25 11.959 -9.819 -14.936 199 HZ1 LYS 25 HZ1 LYS 25 13.154 -11.647 -16.085 200 HZ2 LYS 25 HZ2 LYS 25 11.512 -11.714 -16.223 201 HZ3 LYS 25 HZ3 LYS 25 12.297 -12.746 -15.188 202 H ILE 26 H ILE 26 12.190 -7.887 -10.264 203 HA ILE 26 HA ILE 26 12.033 -9.420 -7.705 204 HB ILE 26 HB ILE 26 10.357 -7.120 -8.751 205 HG12 ILE 26 HG12 ILE 26 12.350 -7.153 -6.459 206 HG13 ILE 26 HG13 ILE 26 12.799 -6.613 -8.067 207 HG21 ILE 26 HG21 ILE 26 10.344 -8.644 -6.100 208 HG22 ILE 26 HG22 ILE 26 9.065 -8.533 -7.317 209 HG23 ILE 26 HG23 ILE 26 9.492 -7.106 -6.389 210 HD11 ILE 26 HD11 ILE 26 10.757 -5.416 -6.235 211 HD12 ILE 26 HD12 ILE 26 12.321 -4.721 -6.755 212 HD13 ILE 26 HD13 ILE 26 11.008 -4.942 -7.943 213 H GLU 27 H GLU 27 10.843 -11.264 -7.737 214 HA GLU 27 HA GLU 27 9.367 -11.856 -10.213 215 HB2 GLU 27 HB2 GLU 27 9.981 -13.568 -7.791 216 HB3 GLU 27 HB3 GLU 27 9.116 -14.103 -9.202 217 HG2 GLU 27 HG2 GLU 27 11.891 -13.045 -9.175 218 HG3 GLU 27 HG3 GLU 27 11.423 -14.741 -9.293 219 H ARG 28 H ARG 28 8.683 -11.092 -6.880 220 HA ARG 28 HA ARG 28 5.811 -11.074 -7.524 221 HB2 ARG 28 HB2 ARG 28 6.219 -13.284 -6.404 222 HB3 ARG 28 HB3 ARG 28 6.823 -12.402 -5.041 223 HG2 ARG 28 HG2 ARG 28 4.640 -11.255 -4.726 224 HG3 ARG 28 HG3 ARG 28 3.947 -12.226 -6.064 225 HD2 ARG 28 HD2 ARG 28 5.053 -13.308 -3.431 226 HD3 ARG 28 HD3 ARG 28 3.344 -13.090 -3.885 227 HE ARG 28 HE ARG 28 3.412 -14.828 -5.438 228 HH11 ARG 28 HH11 ARG 28 6.313 -14.650 -3.450 229 HH12 ARG 28 HH12 ARG 28 6.844 -16.262 -3.939 230 HH21 ARG 28 HH21 ARG 28 4.192 -16.820 -6.034 231 HH22 ARG 28 HH22 ARG 28 5.643 -17.447 -5.261 232 H VAL 29 H VAL 29 4.776 -9.353 -6.645 233 HA VAL 29 HA VAL 29 6.145 -7.895 -4.420 234 HB VAL 29 HB VAL 29 4.532 -6.700 -6.793 235 HG11 VAL 29 HG11 VAL 29 5.083 -4.513 -5.803 236 HG12 VAL 29 HG12 VAL 29 4.124 -5.484 -4.682 237 HG13 VAL 29 HG13 VAL 29 5.844 -5.298 -4.418 238 HG21 VAL 29 HG21 VAL 29 6.898 -7.355 -7.316 239 HG22 VAL 29 HG22 VAL 29 7.458 -6.351 -6.011 240 HG23 VAL 29 HG23 VAL 29 6.617 -5.589 -7.391 241 H VAL 30 H VAL 30 4.762 -8.048 -2.626 242 HA VAL 30 HA VAL 30 1.850 -8.089 -3.364 243 HB VAL 30 HB VAL 30 1.409 -9.216 -1.162 244 HG11 VAL 30 HG11 VAL 30 1.743 -10.472 -3.229 245 HG12 VAL 30 HG12 VAL 30 2.177 -11.450 -1.766 246 HG13 VAL 30 HG13 VAL 30 3.415 -10.749 -2.799 247 HG21 VAL 30 HG21 VAL 30 3.207 -10.223 0.177 248 HG22 VAL 30 HG22 VAL 30 3.437 -8.432 0.016 249 HG23 VAL 30 HG23 VAL 30 4.410 -9.581 -0.935 250 H VAL 31 H VAL 31 0.545 -6.572 -2.287 251 HA VAL 31 HA VAL 31 2.109 -4.507 -0.750 252 HB VAL 31 HB VAL 31 0.625 -2.794 -1.814 253 HG11 VAL 31 HG11 VAL 31 2.347 -4.426 -3.713 254 HG12 VAL 31 HG12 VAL 31 2.726 -2.934 -2.806 255 HG13 VAL 31 HG13 VAL 31 1.605 -2.860 -4.140 256 HG21 VAL 31 HG21 VAL 31 -0.238 -5.012 -3.757 257 HG22 VAL 31 HG22 VAL 31 -0.734 -3.295 -3.824 258 HG23 VAL 31 HG23 VAL 31 -1.258 -4.301 -2.450 259 H GLY 32 H GLY 32 0.764 -3.225 0.602 260 HA2 GLY 32 HA2 GLY 32 -1.707 -4.640 1.464 261 HA3 GLY 32 HA3 GLY 32 -0.683 -3.682 2.561 262 H ILE 33 H ILE 33 -3.525 -3.478 0.901 263 HA ILE 33 HA ILE 33 -3.168 -0.513 0.534 264 HB ILE 33 HB ILE 33 -5.024 -2.301 -1.114 265 HG12 ILE 33 HG12 ILE 33 -2.654 -0.538 -1.901 266 HG13 ILE 33 HG13 ILE 33 -2.549 -2.274 -1.751 267 HG21 ILE 33 HG21 ILE 33 -6.140 -0.188 -0.587 268 HG22 ILE 33 HG22 ILE 33 -5.634 -0.164 -2.280 269 HG23 ILE 33 HG23 ILE 33 -4.714 0.769 -1.003 270 HD11 ILE 33 HD11 ILE 33 -4.548 -2.205 -3.524 271 HD12 ILE 33 HD12 ILE 33 -2.883 -2.033 -4.052 272 HD13 ILE 33 HD13 ILE 33 -3.922 -0.623 -3.891 273 H GLY 34 H GLY 34 -4.457 0.602 1.834 274 HA2 GLY 34 HA2 GLY 34 -5.615 -0.704 4.004 275 HA3 GLY 34 HA3 GLY 34 -5.872 0.961 3.618 276 H GLU 35 H GLU 35 -7.641 -1.083 4.644 277 HA GLU 35 HA GLU 35 -9.432 -1.857 2.610 278 HB2 GLU 35 HB2 GLU 35 -10.906 -2.568 4.374 279 HB3 GLU 35 HB3 GLU 35 -9.239 -2.962 4.811 280 HG2 GLU 35 HG2 GLU 35 -9.159 -0.982 6.244 281 HG3 GLU 35 HG3 GLU 35 -10.843 -0.705 5.871 282 H ARG 36 H ARG 36 -9.110 1.152 4.371 283 HA ARG 36 HA ARG 36 -11.593 2.172 3.123 284 HB2 ARG 36 HB2 ARG 36 -10.247 3.148 5.641 285 HB3 ARG 36 HB3 ARG 36 -11.701 3.817 4.919 286 HG2 ARG 36 HG2 ARG 36 -12.770 1.506 5.221 287 HG3 ARG 36 HG3 ARG 36 -11.314 1.102 6.153 288 HD2 ARG 36 HD2 ARG 36 -11.897 2.946 7.732 289 HD3 ARG 36 HD3 ARG 36 -13.394 3.179 6.856 290 HE ARG 36 HE ARG 36 -12.745 1.019 8.690 291 HH11 ARG 36 HH11 ARG 36 -14.338 -0.503 9.110 292 HH12 ARG 36 HH12 ARG 36 -15.707 -0.640 8.073 293 HH21 ARG 36 HH21 ARG 36 -14.938 1.962 6.039 294 HH22 ARG 36 HH22 ARG 36 -16.069 0.713 6.387 295 H SER 37 H SER 37 -8.930 1.889 1.959 296 HA SER 37 HA SER 37 -7.641 4.451 2.038 297 HB2 SER 37 HB2 SER 37 -6.288 3.583 0.219 298 HB3 SER 37 HB3 SER 37 -6.434 2.373 1.524 299 HG SER 37 HG SER 37 -7.624 1.132 0.206 300 H ALA 38 H ALA 38 -7.377 5.856 0.263 301 HA ALA 38 HA ALA 38 -9.839 6.472 -1.159 302 HB1 ALA 38 HB1 ALA 38 -8.546 8.477 -1.936 303 HB2 ALA 38 HB2 ALA 38 -7.140 7.836 -1.058 304 HB3 ALA 38 HB3 ALA 38 -8.582 8.302 -0.141 305 H MET 39 H MET 39 -8.601 3.965 -1.867 306 HA MET 39 HA MET 39 -7.650 4.551 -4.634 307 HB2 MET 39 HB2 MET 39 -6.786 2.355 -2.728 308 HB3 MET 39 HB3 MET 39 -6.211 2.552 -4.400 309 HG2 MET 39 HG2 MET 39 -5.219 4.724 -3.816 310 HG3 MET 39 HG3 MET 39 -5.797 4.492 -2.134 311 HE1 MET 39 HE1 MET 39 -4.156 1.895 -4.659 312 HE2 MET 39 HE2 MET 39 -2.469 2.137 -4.184 313 HE3 MET 39 HE3 MET 39 -3.401 3.502 -4.884 314 H ASP 40 H ASP 40 -8.101 3.063 -6.232 315 HA ASP 40 HA ASP 40 -10.479 1.316 -5.772 316 HB2 ASP 40 HB2 ASP 40 -10.668 3.225 -7.376 317 HB3 ASP 40 HB3 ASP 40 -9.369 2.491 -8.363 318 H LYS 41 H LYS 41 -9.827 -0.828 -5.481 319 HA LYS 41 HA LYS 41 -7.154 -1.727 -6.167 320 HB2 LYS 41 HB2 LYS 41 -9.731 -3.181 -5.577 321 HB3 LYS 41 HB3 LYS 41 -8.090 -3.952 -5.708 322 HG2 LYS 41 HG2 LYS 41 -7.349 -2.644 -3.778 323 HG3 LYS 41 HG3 LYS 41 -8.958 -1.861 -3.709 324 HD2 LYS 41 HD2 LYS 41 -8.885 -3.573 -2.007 325 HD3 LYS 41 HD3 LYS 41 -9.993 -4.003 -3.310 326 HE2 LYS 41 HE2 LYS 41 -8.275 -5.550 -4.280 327 HE3 LYS 41 HE3 LYS 41 -7.168 -5.039 -3.003 328 HZ1 LYS 41 HZ1 LYS 41 -8.152 -7.088 -2.416 329 HZ2 LYS 41 HZ2 LYS 41 -9.665 -6.460 -2.545 330 HZ3 LYS 41 HZ3 LYS 41 -8.655 -5.917 -1.348 331 H SER 42 H SER 42 -10.190 -1.704 -8.003 332 HA SER 42 HA SER 42 -9.319 -3.803 -9.793 333 HB2 SER 42 HB2 SER 42 -11.423 -1.683 -10.162 334 HB3 SER 42 HB3 SER 42 -11.216 -3.095 -11.188 335 HG SER 42 HG SER 42 -11.852 -2.992 -8.393 336 H LEU 43 H LEU 43 -9.122 -0.299 -9.781 337 HA LEU 43 HA LEU 43 -7.863 -0.237 -12.454 338 HB2 LEU 43 HB2 LEU 43 -8.041 1.909 -10.363 339 HB3 LEU 43 HB3 LEU 43 -7.440 2.145 -11.998 340 HG LEU 43 HG LEU 43 -10.270 1.362 -11.303 341 HD11 LEU 43 HD11 LEU 43 -10.835 3.652 -11.914 342 HD12 LEU 43 HD12 LEU 43 -9.136 4.030 -12.233 343 HD13 LEU 43 HD13 LEU 43 -9.666 3.652 -10.602 344 HD21 LEU 43 HD21 LEU 43 -10.757 1.767 -13.668 345 HD22 LEU 43 HD22 LEU 43 -9.051 2.211 -13.980 346 HD23 LEU 43 HD23 LEU 43 -9.487 0.552 -13.515 347 H PHE 44 H PHE 44 -6.886 -0.485 -9.103 348 HA PHE 44 HA PHE 44 -4.196 0.406 -9.535 349 HB2 PHE 44 HB2 PHE 44 -5.272 0.072 -7.282 350 HB3 PHE 44 HB3 PHE 44 -5.225 -1.683 -7.537 351 HD1 PHE 44 HD1 PHE 44 -3.131 1.362 -6.977 352 HD2 PHE 44 HD2 PHE 44 -3.134 -2.921 -7.309 353 HE1 PHE 44 HE1 PHE 44 -0.908 1.318 -5.939 354 HE2 PHE 44 HE2 PHE 44 -0.901 -2.985 -6.260 355 HZ PHE 44 HZ PHE 44 0.243 -0.879 -5.598 356 H VAL 45 H VAL 45 -5.653 -2.872 -9.670 357 HA VAL 45 HA VAL 45 -3.111 -4.064 -10.228 358 HB VAL 45 HB VAL 45 -4.325 -6.119 -10.862 359 HG11 VAL 45 HG11 VAL 45 -5.423 -6.604 -8.768 360 HG12 VAL 45 HG12 VAL 45 -5.732 -4.864 -8.479 361 HG13 VAL 45 HG13 VAL 45 -4.030 -5.514 -8.407 362 HG21 VAL 45 HG21 VAL 45 -6.184 -5.159 -12.089 363 HG22 VAL 45 HG22 VAL 45 -6.815 -6.187 -10.837 364 HG23 VAL 45 HG23 VAL 45 -6.819 -4.404 -10.601 365 H SER 46 H SER 46 -5.448 -2.416 -12.213 366 HA SER 46 HA SER 46 -4.448 -3.568 -14.723 367 HB2 SER 46 HB2 SER 46 -6.754 -2.646 -14.525 368 HB3 SER 46 HB3 SER 46 -6.084 -1.030 -14.183 369 HG SER 46 HG SER 46 -5.558 -2.515 -16.531 370 H ALA 47 H ALA 47 -3.972 -0.620 -12.764 371 HA ALA 47 HA ALA 47 -2.291 0.710 -14.634 372 HB1 ALA 47 HB1 ALA 47 -3.361 1.988 -12.936 373 HB2 ALA 47 HB2 ALA 47 -2.665 0.979 -11.675 374 HB3 ALA 47 HB3 ALA 47 -1.621 2.035 -12.627 375 H PHE 48 H PHE 48 -1.697 -1.723 -12.118 376 HA PHE 48 HA PHE 48 1.140 -1.356 -12.076 377 HB2 PHE 48 HB2 PHE 48 -0.164 -2.707 -10.374 378 HB3 PHE 48 HB3 PHE 48 -0.367 -3.996 -11.542 379 HD1 PHE 48 HD1 PHE 48 2.119 -2.143 -9.501 380 HD2 PHE 48 HD2 PHE 48 1.470 -5.516 -12.101 381 HE1 PHE 48 HE1 PHE 48 4.346 -3.000 -8.841 382 HE2 PHE 48 HE2 PHE 48 3.739 -6.351 -11.494 383 HZ PHE 48 HZ PHE 48 5.189 -5.092 -9.881 384 H GLU 49 H GLU 49 -0.986 -3.314 -14.138 385 HA GLU 49 HA GLU 49 1.165 -4.653 -15.515 386 HB2 GLU 49 HB2 GLU 49 -1.687 -4.023 -16.370 387 HB3 GLU 49 HB3 GLU 49 -0.620 -5.134 -17.221 388 HG2 GLU 49 HG2 GLU 49 -0.521 -6.615 -15.181 389 HG3 GLU 49 HG3 GLU 49 -1.649 -5.487 -14.390 390 H THR 50 H THR 50 -0.573 -1.567 -15.901 391 HA THR 50 HA THR 50 0.442 -1.056 -18.562 392 HB THR 50 HB THR 50 -0.431 0.967 -16.399 393 HG1 THR 50 HG1 THR 50 -2.116 -0.296 -16.624 394 HG21 THR 50 HG21 THR 50 -1.077 2.400 -18.252 395 HG22 THR 50 HG22 THR 50 -0.466 1.178 -19.391 396 HG23 THR 50 HG23 THR 50 0.668 2.023 -18.334 397 H PHE 51 H PHE 51 1.629 -0.053 -15.291 398 HA PHE 51 HA PHE 51 3.882 1.383 -16.498 399 HB2 PHE 51 HB2 PHE 51 3.176 0.790 -13.624 400 HB3 PHE 51 HB3 PHE 51 4.629 1.599 -14.137 401 HD1 PHE 51 HD1 PHE 51 1.044 2.026 -13.670 402 HD2 PHE 51 HD2 PHE 51 4.648 3.794 -15.203 403 HE1 PHE 51 HE1 PHE 51 -0.030 4.212 -13.763 404 HE2 PHE 51 HE2 PHE 51 3.489 6.004 -15.294 405 HZ PHE 51 HZ PHE 51 1.122 6.201 -14.584 406 H ARG 52 H ARG 52 3.448 -1.944 -15.233 407 HA ARG 52 HA ARG 52 6.192 -2.224 -14.434 408 HB2 ARG 52 HB2 ARG 52 5.875 -4.559 -14.297 409 HB3 ARG 52 HB3 ARG 52 4.427 -3.760 -13.672 410 HG2 ARG 52 HG2 ARG 52 3.344 -4.221 -15.870 411 HG3 ARG 52 HG3 ARG 52 4.773 -5.155 -16.378 412 HD2 ARG 52 HD2 ARG 52 4.542 -6.581 -14.376 413 HD3 ARG 52 HD3 ARG 52 3.113 -5.680 -13.932 414 HE ARG 52 HE ARG 52 2.754 -6.676 -16.561 415 HH11 ARG 52 HH11 ARG 52 3.025 -7.945 -13.307 416 HH12 ARG 52 HH12 ARG 52 1.962 -9.287 -13.617 417 HH21 ARG 52 HH21 ARG 52 1.443 -8.418 -16.941 418 HH22 ARG 52 HH22 ARG 52 1.067 -9.550 -15.668 419 H GLU 53 H GLU 53 4.750 -2.091 -17.528 420 HA GLU 53 HA GLU 53 6.714 -3.634 -18.927 421 HB2 GLU 53 HB2 GLU 53 4.936 -1.421 -19.828 422 HB3 GLU 53 HB3 GLU 53 5.850 -2.458 -20.882 423 HG2 GLU 53 HG2 GLU 53 3.677 -3.299 -19.044 424 HG3 GLU 53 HG3 GLU 53 3.564 -3.149 -20.792 425 H GLU 54 H GLU 54 6.665 -0.456 -17.533 426 HA GLU 54 HA GLU 54 8.638 0.804 -19.163 427 HB2 GLU 54 HB2 GLU 54 7.840 1.290 -16.296 428 HB3 GLU 54 HB3 GLU 54 8.864 2.355 -17.224 429 HG2 GLU 54 HG2 GLU 54 6.046 1.669 -18.025 430 HG3 GLU 54 HG3 GLU 54 6.476 3.084 -17.050 431 H SER 55 H SER 55 8.923 -1.491 -16.485 432 HA SER 55 HA SER 55 11.868 -1.158 -16.720 433 HB2 SER 55 HB2 SER 55 11.159 0.161 -14.790 434 HB3 SER 55 HB3 SER 55 10.372 -1.276 -14.107 435 HG SER 55 HG SER 55 12.601 -0.749 -13.356 436 H LEU 56 H LEU 56 13.000 -2.994 -16.821 437 HA LEU 56 HA LEU 56 11.719 -5.528 -17.008 438 HB2 LEU 56 HB2 LEU 56 13.897 -4.814 -17.969 439 HB3 LEU 56 HB3 LEU 56 14.597 -4.933 -16.377 440 HG LEU 56 HG LEU 56 15.212 -6.704 -17.892 441 HD11 LEU 56 HD11 LEU 56 15.095 -7.163 -15.384 442 HD12 LEU 56 HD12 LEU 56 15.111 -8.597 -16.444 443 HD13 LEU 56 HD13 LEU 56 13.595 -8.072 -15.762 444 HD21 LEU 56 HD21 LEU 56 13.166 -6.846 -19.208 445 HD22 LEU 56 HD22 LEU 56 13.672 -8.457 -18.669 446 HD23 LEU 56 HD23 LEU 56 12.322 -7.630 -17.818 447 H VAL 57 H VAL 57 13.159 -3.851 -14.288 448 HA VAL 57 HA VAL 57 13.606 -5.999 -12.540 449 HB VAL 57 HB VAL 57 12.684 -3.143 -11.865 450 HG11 VAL 57 HG11 VAL 57 12.432 -4.504 -9.889 451 HG12 VAL 57 HG12 VAL 57 14.017 -5.311 -10.157 452 HG13 VAL 57 HG13 VAL 57 13.953 -3.580 -9.721 453 HG21 VAL 57 HG21 VAL 57 15.037 -2.574 -11.663 454 HG22 VAL 57 HG22 VAL 57 15.520 -4.293 -11.890 455 HG23 VAL 57 HG23 VAL 57 14.796 -3.397 -13.257 456 H CYS 58 H CYS 58 10.559 -4.284 -13.266 457 HA CYS 58 HA CYS 58 9.160 -6.108 -11.384 458 HB2 CYS 58 HB2 CYS 58 7.580 -4.250 -11.027 459 HB3 CYS 58 HB3 CYS 58 9.214 -3.637 -10.823 460 HG CYS 58 HG CYS 58 7.766 -1.836 -12.064 461 H LYS 59 H LYS 59 9.655 -5.814 -14.668 462 HA LYS 59 HA LYS 59 6.988 -5.706 -15.684 463 HB2 LYS 59 HB2 LYS 59 9.121 -5.417 -16.929 464 HB3 LYS 59 HB3 LYS 59 9.390 -7.155 -16.849 465 HG2 LYS 59 HG2 LYS 59 7.285 -7.529 -18.096 466 HG3 LYS 59 HG3 LYS 59 7.130 -5.771 -18.299 467 HD2 LYS 59 HD2 LYS 59 9.478 -7.387 -19.294 468 HD3 LYS 59 HD3 LYS 59 8.116 -6.834 -20.278 469 HE2 LYS 59 HE2 LYS 59 8.685 -4.488 -19.678 470 HE3 LYS 59 HE3 LYS 59 10.130 -5.067 -18.817 471 HZ1 LYS 59 HZ1 LYS 59 9.615 -5.125 -21.688 472 HZ2 LYS 59 HZ2 LYS 59 10.699 -6.150 -21.025 473 HZ3 LYS 59 HZ3 LYS 59 10.915 -4.522 -20.888 474 H ASP 60 H ASP 60 8.842 -8.557 -14.610 475 HA ASP 60 HA ASP 60 6.483 -10.211 -15.313 476 HB2 ASP 60 HB2 ASP 60 9.331 -10.966 -14.599 477 HB3 ASP 60 HB3 ASP 60 8.020 -12.109 -14.825 478 H ALA 61 H ALA 61 7.146 -8.346 -12.769 479 HA ALA 61 HA ALA 61 7.067 -10.262 -10.608 480 HB1 ALA 61 HB1 ALA 61 6.366 -7.290 -10.632 481 HB2 ALA 61 HB2 ALA 61 6.587 -8.323 -9.190 482 HB3 ALA 61 HB3 ALA 61 7.947 -8.005 -10.292 483 H ILE 62 H ILE 62 5.386 -11.134 -9.565 484 HA ILE 62 HA ILE 62 2.680 -10.855 -10.701 485 HB ILE 62 HB ILE 62 3.671 -12.480 -8.285 486 HG12 ILE 62 HG12 ILE 62 3.057 -13.423 -11.135 487 HG13 ILE 62 HG13 ILE 62 4.711 -13.048 -10.550 488 HG21 ILE 62 HG21 ILE 62 1.207 -11.965 -8.194 489 HG22 ILE 62 HG22 ILE 62 1.025 -12.566 -9.856 490 HG23 ILE 62 HG23 ILE 62 1.485 -13.699 -8.575 491 HD11 ILE 62 HD11 ILE 62 4.478 -14.741 -8.773 492 HD12 ILE 62 HD12 ILE 62 4.351 -15.431 -10.429 493 HD13 ILE 62 HD13 ILE 62 2.874 -15.181 -9.423 494 H LEU 63 H LEU 63 1.200 -9.421 -9.881 495 HA LEU 63 HA LEU 63 1.887 -8.048 -7.322 496 HB2 LEU 63 HB2 LEU 63 1.619 -6.683 -9.330 497 HB3 LEU 63 HB3 LEU 63 0.001 -7.271 -9.499 498 HG LEU 63 HG LEU 63 0.169 -4.960 -8.728 499 HD11 LEU 63 HD11 LEU 63 -1.090 -6.423 -6.378 500 HD12 LEU 63 HD12 LEU 63 -1.783 -6.521 -8.060 501 HD13 LEU 63 HD13 LEU 63 -1.605 -4.948 -7.265 502 HD21 LEU 63 HD21 LEU 63 1.237 -6.056 -6.095 503 HD22 LEU 63 HD22 LEU 63 2.260 -5.307 -7.355 504 HD23 LEU 63 HD23 LEU 63 0.999 -4.350 -6.565 505 H ASP 64 H ASP 64 0.637 -8.359 -5.507 506 HA ASP 64 HA ASP 64 -2.101 -9.427 -5.915 507 HB2 ASP 64 HB2 ASP 64 -0.508 -11.363 -5.451 508 HB3 ASP 64 HB3 ASP 64 -0.229 -10.638 -3.882 509 H ILE 65 H ILE 65 -3.489 -8.252 -4.624 510 HA ILE 65 HA ILE 65 -2.305 -6.308 -2.701 511 HB ILE 65 HB ILE 65 -5.205 -6.581 -3.775 512 HG12 ILE 65 HG12 ILE 65 -3.170 -4.474 -4.532 513 HG13 ILE 65 HG13 ILE 65 -3.432 -5.885 -5.494 514 HG21 ILE 65 HG21 ILE 65 -3.787 -4.532 -1.972 515 HG22 ILE 65 HG22 ILE 65 -5.211 -5.495 -1.602 516 HG23 ILE 65 HG23 ILE 65 -5.325 -4.200 -2.762 517 HD11 ILE 65 HD11 ILE 65 -4.755 -3.995 -6.354 518 HD12 ILE 65 HD12 ILE 65 -5.868 -5.220 -5.762 519 HD13 ILE 65 HD13 ILE 65 -5.540 -3.768 -4.805 520 H VAL 66 H VAL 66 -2.532 -6.475 -0.502 521 HA VAL 66 HA VAL 66 -4.500 -8.453 0.613 522 HB VAL 66 HB VAL 66 -1.937 -7.334 1.860 523 HG11 VAL 66 HG11 VAL 66 -2.443 -8.832 3.751 524 HG12 VAL 66 HG12 VAL 66 -3.946 -9.386 3.018 525 HG13 VAL 66 HG13 VAL 66 -3.811 -7.701 3.554 526 HG21 VAL 66 HG21 VAL 66 -1.218 -9.780 1.810 527 HG22 VAL 66 HG22 VAL 66 -1.417 -9.048 0.165 528 HG23 VAL 66 HG23 VAL 66 -2.648 -10.133 0.795 529 H ASP 67 H ASP 67 -6.262 -7.414 1.559 530 HA ASP 67 HA ASP 67 -6.215 -4.506 1.786 531 HB2 ASP 67 HB2 ASP 67 -8.205 -6.622 2.711 532 HB3 ASP 67 HB3 ASP 67 -8.469 -4.859 2.917 533 H GLU 68 H GLU 68 -5.821 -3.364 3.731 534 HA GLU 68 HA GLU 68 -5.376 -5.050 6.177 535 HB2 GLU 68 HB2 GLU 68 -3.754 -2.637 5.282 536 HB3 GLU 68 HB3 GLU 68 -3.615 -3.448 6.837 537 HG2 GLU 68 HG2 GLU 68 -2.981 -5.554 5.657 538 HG3 GLU 68 HG3 GLU 68 -2.955 -4.674 4.136 539 H LYS 69 H LYS 69 -5.925 -4.324 8.070 540 HA LYS 69 HA LYS 69 -8.203 -2.549 8.220 541 HB2 LYS 69 HB2 LYS 69 -6.649 -4.228 10.136 542 HB3 LYS 69 HB3 LYS 69 -7.687 -2.956 10.737 543 HG2 LYS 69 HG2 LYS 69 -8.954 -5.026 10.731 544 HG3 LYS 69 HG3 LYS 69 -9.611 -3.929 9.508 545 HD2 LYS 69 HD2 LYS 69 -8.416 -5.112 7.733 546 HD3 LYS 69 HD3 LYS 69 -7.750 -6.284 8.912 547 HE2 LYS 69 HE2 LYS 69 -10.132 -6.837 9.551 548 HE3 LYS 69 HE3 LYS 69 -10.705 -5.669 8.328 549 HZ1 LYS 69 HZ1 LYS 69 -10.688 -7.870 7.367 550 HZ2 LYS 69 HZ2 LYS 69 -9.129 -8.114 7.754 551 HZ3 LYS 69 HZ3 LYS 69 -9.526 -6.988 6.627 552 H VAL 70 H VAL 70 -8.492 -0.657 9.143 553 HA VAL 70 HA VAL 70 -6.388 1.250 8.989 554 HB VAL 70 HB VAL 70 -8.008 2.893 9.679 555 HG11 VAL 70 HG11 VAL 70 -7.975 2.005 7.340 556 HG12 VAL 70 HG12 VAL 70 -9.291 0.906 7.781 557 HG13 VAL 70 HG13 VAL 70 -9.542 2.672 7.863 558 HG21 VAL 70 HG21 VAL 70 -10.294 2.356 10.240 559 HG22 VAL 70 HG22 VAL 70 -9.193 1.606 11.415 560 HG23 VAL 70 HG23 VAL 70 -9.923 0.581 10.154 561 H GLU 71 H GLU 71 -5.727 2.775 10.400 562 HA GLU 71 HA GLU 71 -5.949 2.186 13.342 563 HB2 GLU 71 HB2 GLU 71 -3.572 1.799 12.493 564 HB3 GLU 71 HB3 GLU 71 -3.582 3.436 11.854 565 HG2 GLU 71 HG2 GLU 71 -3.881 4.354 14.079 566 HG3 GLU 71 HG3 GLU 71 -3.848 2.743 14.772 567 H LEU 72 H LEU 72 -6.445 4.127 14.463 568 HA LEU 72 HA LEU 72 -7.138 6.448 12.696 569 HB2 LEU 72 HB2 LEU 72 -8.554 5.348 15.176 570 HB3 LEU 72 HB3 LEU 72 -9.051 6.781 14.293 571 HG LEU 72 HG LEU 72 -9.133 3.949 13.151 572 HD11 LEU 72 HD11 LEU 72 -10.654 4.282 15.067 573 HD12 LEU 72 HD12 LEU 72 -11.326 5.729 14.305 574 HD13 LEU 72 HD13 LEU 72 -11.575 4.151 13.537 575 HD21 LEU 72 HD21 LEU 72 -10.365 6.504 12.106 576 HD22 LEU 72 HD22 LEU 72 -10.456 4.892 11.378 577 HD23 LEU 72 HD23 LEU 72 -8.886 5.752 11.474 578 H GLU 73 H GLU 73 -7.002 8.413 13.468 579 HA GLU 73 HA GLU 73 -5.660 8.867 16.136 580 HB2 GLU 73 HB2 GLU 73 -3.957 9.091 14.371 581 HB3 GLU 73 HB3 GLU 73 -4.980 10.283 13.534 582 HG2 GLU 73 HG2 GLU 73 -4.861 11.792 15.560 583 HG3 GLU 73 HG3 GLU 73 -3.741 10.664 16.296 584 H CYS 74 H CYS 74 -6.490 10.554 17.235 585 HA CYS 74 HA CYS 74 -8.914 11.701 15.999 586 HB2 CYS 74 HB2 CYS 74 -9.050 10.435 18.171 587 HB3 CYS 74 HB3 CYS 74 -7.953 11.675 18.891 588 H LYS 75 H LYS 75 -9.042 13.913 15.681 589 HA LYS 75 HA LYS 75 -6.638 15.497 15.679 590 HB2 LYS 75 HB2 LYS 75 -9.571 16.298 15.472 591 HB3 LYS 75 HB3 LYS 75 -8.180 17.392 15.236 592 HG2 LYS 75 HG2 LYS 75 -7.311 15.789 13.414 593 HG3 LYS 75 HG3 LYS 75 -8.785 14.884 13.611 594 HD2 LYS 75 HD2 LYS 75 -9.064 16.248 11.711 595 HD3 LYS 75 HD3 LYS 75 -10.087 16.937 12.991 596 HE2 LYS 75 HE2 LYS 75 -8.308 18.561 13.535 597 HE3 LYS 75 HE3 LYS 75 -7.315 17.853 12.226 598 HZ1 LYS 75 HZ1 LYS 75 -8.451 19.764 11.461 599 HZ2 LYS 75 HZ2 LYS 75 -9.903 19.179 11.947 600 HZ3 LYS 75 HZ3 LYS 75 -9.083 18.451 10.727 601 H ASP 76 H ASP 76 -6.300 17.353 17.189 602 HA ASP 76 HA ASP 76 -5.419 16.092 19.250 603 HB2 ASP 76 HB2 ASP 76 -6.284 18.881 19.582 604 HB3 ASP 76 HB3 ASP 76 -5.064 18.083 20.602 605 H CYS 77 H CYS 77 -6.159 14.651 20.138 606 HA CYS 77 HA CYS 77 -7.382 14.643 22.790 607 HB2 CYS 77 HB2 CYS 77 -9.421 14.360 21.235 608 HB3 CYS 77 HB3 CYS 77 -8.424 13.227 20.265 609 H SER 78 H SER 78 -5.529 13.320 23.608 610 HA SER 78 HA SER 78 -3.839 12.238 21.515 611 HB2 SER 78 HB2 SER 78 -2.855 13.301 23.488 612 HB3 SER 78 HB3 SER 78 -3.482 12.009 24.506 613 HG SER 78 HG SER 78 -1.243 11.794 23.601 614 H HIS 79 H HIS 79 -4.634 10.495 20.486 615 HA HIS 79 HA HIS 79 -5.210 8.277 22.131 616 HB2 HIS 79 HB2 HIS 79 -7.257 9.696 21.958 617 HB3 HIS 79 HB3 HIS 79 -7.528 8.805 20.442 618 HD1 HIS 79 HD1 HIS 79 -6.436 7.925 24.081 619 HD2 HIS 79 HD2 HIS 79 -8.834 6.429 21.011 620 HE1 HIS 79 HE1 HIS 79 -7.436 5.722 24.904 621 HE2 HIS 79 HE2 HIS 79 -8.939 4.913 23.088 622 H VAL 80 H VAL 80 -3.329 8.182 19.768 623 HA VAL 80 HA VAL 80 -4.856 6.938 17.752 624 HB VAL 80 HB VAL 80 -1.842 6.700 18.258 625 HG11 VAL 80 HG11 VAL 80 -2.540 5.019 16.602 626 HG12 VAL 80 HG12 VAL 80 -1.663 6.312 15.827 627 HG13 VAL 80 HG13 VAL 80 -3.420 6.242 15.680 628 HG21 VAL 80 HG21 VAL 80 -3.449 8.675 16.649 629 HG22 VAL 80 HG22 VAL 80 -1.677 8.523 16.607 630 HG23 VAL 80 HG23 VAL 80 -2.531 8.999 18.096 631 H PHE 81 H PHE 81 -5.403 4.996 17.277 632 HA PHE 81 HA PHE 81 -4.404 2.591 18.663 633 HB2 PHE 81 HB2 PHE 81 -6.541 2.147 19.706 634 HB3 PHE 81 HB3 PHE 81 -6.085 3.793 20.125 635 HD1 PHE 81 HD1 PHE 81 -8.702 1.744 19.049 636 HD2 PHE 81 HD2 PHE 81 -7.141 5.667 18.308 637 HE1 PHE 81 HE1 PHE 81 -10.930 2.480 18.245 638 HE2 PHE 81 HE2 PHE 81 -9.406 6.447 17.530 639 HZ PHE 81 HZ PHE 81 -11.298 4.830 17.534 640 H LYS 82 H LYS 82 -5.648 0.595 17.876 641 HA LYS 82 HA LYS 82 -6.709 1.100 15.111 642 HB2 LYS 82 HB2 LYS 82 -5.661 -1.438 16.358 643 HB3 LYS 82 HB3 LYS 82 -6.519 -1.414 14.830 644 HG2 LYS 82 HG2 LYS 82 -4.283 -1.639 14.273 645 HG3 LYS 82 HG3 LYS 82 -4.555 0.052 13.963 646 HD2 LYS 82 HD2 LYS 82 -3.551 0.589 16.149 647 HD3 LYS 82 HD3 LYS 82 -3.271 -1.137 16.476 648 HE2 LYS 82 HE2 LYS 82 -1.862 -1.316 14.369 649 HE3 LYS 82 HE3 LYS 82 -2.096 0.412 14.110 650 HZ1 LYS 82 HZ1 LYS 82 -0.805 -0.785 16.516 651 HZ2 LYS 82 HZ2 LYS 82 -1.007 0.829 16.263 652 HZ3 LYS 82 HZ3 LYS 82 -0.005 -0.033 15.287 653 HA PRO 83 HA PRO 83 -10.356 0.143 17.395 654 HB2 PRO 83 HB2 PRO 83 -12.277 0.240 15.445 655 HB3 PRO 83 HB3 PRO 83 -11.462 1.676 16.066 656 HG2 PRO 83 HG2 PRO 83 -10.810 0.007 13.630 657 HG3 PRO 83 HG3 PRO 83 -11.103 1.779 13.704 658 HD2 PRO 83 HD2 PRO 83 -8.590 0.765 13.729 659 HD3 PRO 83 HD3 PRO 83 -8.997 2.193 14.740 660 H ASN 84 H ASN 84 -11.726 -1.726 17.780 661 HA ASN 84 HA ASN 84 -10.982 -4.120 16.139 662 HB2 ASN 84 HB2 ASN 84 -11.884 -3.942 19.011 663 HB3 ASN 84 HB3 ASN 84 -11.540 -5.442 18.138 664 HD21 ASN 84 HD21 ASN 84 -9.315 -5.158 16.858 665 HD22 ASN 84 HD22 ASN 84 -8.050 -4.752 17.980 666 H ALA 85 H ALA 85 -13.425 -1.937 16.148 667 HA ALA 85 HA ALA 85 -15.526 -3.941 15.665 668 HB1 ALA 85 HB1 ALA 85 -15.832 -1.667 17.601 669 HB2 ALA 85 HB2 ALA 85 -15.543 -3.325 18.075 670 HB3 ALA 85 HB3 ALA 85 -17.043 -2.908 17.244 671 H LEU 86 H LEU 86 -17.659 -2.800 15.243 672 HA LEU 86 HA LEU 86 -17.394 -1.429 12.747 673 HB2 LEU 86 HB2 LEU 86 -19.716 -1.791 14.613 674 HB3 LEU 86 HB3 LEU 86 -19.826 -1.347 12.914 675 HG LEU 86 HG LEU 86 -18.858 -4.021 13.930 676 HD11 LEU 86 HD11 LEU 86 -21.483 -3.234 12.642 677 HD12 LEU 86 HD12 LEU 86 -21.265 -3.615 14.354 678 HD13 LEU 86 HD13 LEU 86 -20.992 -4.866 13.129 679 HD21 LEU 86 HD21 LEU 86 -19.134 -4.689 11.564 680 HD22 LEU 86 HD22 LEU 86 -17.872 -3.430 11.808 681 HD23 LEU 86 HD23 LEU 86 -19.486 -2.953 11.161 682 H ASP 87 H ASP 87 -16.711 -0.157 15.603 683 HA ASP 87 HA ASP 87 -18.235 2.347 15.470 684 HB2 ASP 87 HB2 ASP 87 -17.118 2.921 17.497 685 HB3 ASP 87 HB3 ASP 87 -17.686 1.236 17.593 686 H TYR 88 H TYR 88 -16.329 1.459 13.303 687 HA TYR 88 HA TYR 88 -14.006 3.063 13.261 688 HB2 TYR 88 HB2 TYR 88 -15.829 2.335 10.930 689 HB3 TYR 88 HB3 TYR 88 -14.180 2.932 10.777 690 HD1 TYR 88 HD1 TYR 88 -12.273 1.509 11.468 691 HD2 TYR 88 HD2 TYR 88 -16.311 0.067 11.331 692 HE1 TYR 88 HE1 TYR 88 -11.431 -0.884 11.588 693 HE2 TYR 88 HE2 TYR 88 -15.473 -2.331 11.442 694 HH TYR 88 HH TYR 88 -13.653 -3.725 11.592 695 H GLY 89 H GLY 89 -13.554 5.171 12.392 696 HA2 GLY 89 HA2 GLY 89 -14.107 7.171 11.346 697 HA3 GLY 89 HA3 GLY 89 -15.825 6.821 11.394 698 H VAL 90 H VAL 90 -14.662 6.281 14.492 699 HA VAL 90 HA VAL 90 -14.678 9.153 15.249 700 HB VAL 90 HB VAL 90 -16.067 8.618 17.209 701 HG11 VAL 90 HG11 VAL 90 -17.097 9.552 15.142 702 HG12 VAL 90 HG12 VAL 90 -18.244 8.580 16.110 703 HG13 VAL 90 HG13 VAL 90 -17.519 7.880 14.624 704 HG21 VAL 90 HG21 VAL 90 -17.369 6.584 17.406 705 HG22 VAL 90 HG22 VAL 90 -16.646 5.979 15.906 706 HG23 VAL 90 HG23 VAL 90 -15.622 6.181 17.346 707 H CYS 91 H CYS 91 -13.718 9.340 17.393 708 HA CYS 91 HA CYS 91 -11.396 7.621 17.905 709 HB2 CYS 91 HB2 CYS 91 -11.471 10.100 18.376 710 HB3 CYS 91 HB3 CYS 91 -12.712 9.789 19.605 711 H GLU 92 H GLU 92 -11.207 6.585 20.204 712 HA GLU 92 HA GLU 92 -13.911 5.677 21.145 713 HB2 GLU 92 HB2 GLU 92 -13.005 3.726 22.075 714 HB3 GLU 92 HB3 GLU 92 -12.529 3.785 20.363 715 HG2 GLU 92 HG2 GLU 92 -10.264 4.550 20.996 716 HG3 GLU 92 HG3 GLU 92 -10.729 4.499 22.680 717 H LYS 93 H LYS 93 -11.170 7.561 21.980 718 HA LYS 93 HA LYS 93 -11.412 7.437 24.841 719 HB2 LYS 93 HB2 LYS 93 -9.464 8.350 23.586 720 HB3 LYS 93 HB3 LYS 93 -10.444 9.692 23.113 721 HG2 LYS 93 HG2 LYS 93 -9.098 10.404 24.904 722 HG3 LYS 93 HG3 LYS 93 -10.721 10.207 25.553 723 HD2 LYS 93 HD2 LYS 93 -10.032 7.960 26.364 724 HD3 LYS 93 HD3 LYS 93 -8.421 8.248 25.745 725 HE2 LYS 93 HE2 LYS 93 -8.219 10.226 27.219 726 HE3 LYS 93 HE3 LYS 93 -9.871 9.864 27.863 727 HZ1 LYS 93 HZ1 LYS 93 -8.785 7.573 28.356 728 HZ2 LYS 93 HZ2 LYS 93 -8.450 8.835 29.360 729 HZ3 LYS 93 HZ3 LYS 93 -7.355 8.390 28.219 730 H CYS 94 H CYS 94 -12.781 9.159 22.327 731 HA CYS 94 HA CYS 94 -15.006 10.229 23.918 732 HB2 CYS 94 HB2 CYS 94 -14.837 12.387 22.646 733 HB3 CYS 94 HB3 CYS 94 -13.332 12.152 23.584 734 H HIS 95 H HIS 95 -16.711 10.527 21.908 735 HA HIS 95 HA HIS 95 -15.775 8.639 19.747 736 HB2 HIS 95 HB2 HIS 95 -18.566 8.754 20.872 737 HB3 HIS 95 HB3 HIS 95 -18.000 7.826 19.473 738 HD1 HIS 95 HD1 HIS 95 -18.201 7.564 23.205 739 HD2 HIS 95 HD2 HIS 95 -16.128 5.776 20.029 740 HE1 HIS 95 HE1 HIS 95 -17.162 5.429 24.147 741 HE2 HIS 95 HE2 HIS 95 -15.925 4.316 22.229 742 H SER 96 H SER 96 -15.318 11.292 19.821 743 HA SER 96 HA SER 96 -17.410 12.724 18.406 744 HB2 SER 96 HB2 SER 96 -15.876 13.776 20.045 745 HB3 SER 96 HB3 SER 96 -14.489 13.396 18.961 746 HG SER 96 HG SER 96 -14.962 15.288 18.191 747 H LYS 97 H LYS 97 -17.446 13.434 16.419 748 HA LYS 97 HA LYS 97 -16.160 11.890 14.251 749 HB2 LYS 97 HB2 LYS 97 -17.807 14.413 14.324 750 HB3 LYS 97 HB3 LYS 97 -17.348 13.582 12.869 751 HG2 LYS 97 HG2 LYS 97 -18.508 11.525 13.670 752 HG3 LYS 97 HG3 LYS 97 -19.080 12.412 15.093 753 HD2 LYS 97 HD2 LYS 97 -20.878 12.385 13.537 754 HD3 LYS 97 HD3 LYS 97 -20.291 14.058 13.562 755 HE2 LYS 97 HE2 LYS 97 -18.965 13.526 11.456 756 HE3 LYS 97 HE3 LYS 97 -19.690 11.876 11.518 757 HZ1 LYS 97 HZ1 LYS 97 -20.811 13.482 10.023 758 HZ2 LYS 97 HZ2 LYS 97 -21.804 12.800 11.129 759 HZ3 LYS 97 HZ3 LYS 97 -21.300 14.359 11.340 760 H ASN 98 H ASN 98 -14.944 13.090 12.536 761 HA ASN 98 HA ASN 98 -13.154 14.264 11.794 762 HB2 ASN 98 HB2 ASN 98 -13.309 16.082 14.224 763 HB3 ASN 98 HB3 ASN 98 -12.341 16.328 12.792 764 HD21 ASN 98 HD21 ASN 98 -14.544 17.834 14.088 765 HD22 ASN 98 HD22 ASN 98 -15.689 18.182 12.821 766 H VAL 99 H VAL 99 -12.580 12.074 12.512 767 HA VAL 99 HA VAL 99 -9.975 12.283 13.944 768 HB VAL 99 HB VAL 99 -10.215 9.821 14.260 769 HG11 VAL 99 HG11 VAL 99 -10.970 11.509 15.996 770 HG12 VAL 99 HG12 VAL 99 -12.648 11.124 15.426 771 HG13 VAL 99 HG13 VAL 99 -11.578 9.864 16.117 772 HG21 VAL 99 HG21 VAL 99 -12.262 8.651 13.853 773 HG22 VAL 99 HG22 VAL 99 -13.054 10.118 13.318 774 HG23 VAL 99 HG23 VAL 99 -11.752 9.410 12.383 775 H ILE 100 H ILE 100 -8.375 10.827 12.746 776 HA ILE 100 HA ILE 100 -9.021 10.814 9.813 777 HB ILE 100 HB ILE 100 -6.780 11.567 9.320 778 HG12 ILE 100 HG12 ILE 100 -6.453 12.052 12.342 779 HG13 ILE 100 HG13 ILE 100 -5.776 10.654 11.501 780 HG21 ILE 100 HG21 ILE 100 -7.012 13.923 10.035 781 HG22 ILE 100 HG22 ILE 100 -8.199 13.479 11.282 782 HG23 ILE 100 HG23 ILE 100 -8.615 13.257 9.565 783 HD11 ILE 100 HD11 ILE 100 -5.039 13.594 11.025 784 HD12 ILE 100 HD12 ILE 100 -4.061 12.290 11.773 785 HD13 ILE 100 HD13 ILE 100 -4.427 12.208 10.053 786 H ILE 101 H ILE 101 -7.680 9.299 8.568 787 HA ILE 101 HA ILE 101 -7.166 6.848 10.206 788 HB ILE 101 HB ILE 101 -7.553 7.212 7.186 789 HG12 ILE 101 HG12 ILE 101 -9.369 6.000 9.247 790 HG13 ILE 101 HG13 ILE 101 -9.533 7.652 8.670 791 HG21 ILE 101 HG21 ILE 101 -7.339 4.755 8.969 792 HG22 ILE 101 HG22 ILE 101 -6.118 5.305 7.829 793 HG23 ILE 101 HG23 ILE 101 -7.658 4.748 7.189 794 HD11 ILE 101 HD11 ILE 101 -9.817 6.771 6.340 795 HD12 ILE 101 HD12 ILE 101 -11.139 6.328 7.421 796 HD13 ILE 101 HD13 ILE 101 -9.878 5.129 6.981 797 H THR 102 H THR 102 -5.095 6.424 10.633 798 HA THR 102 HA THR 102 -3.059 8.016 9.145 799 HB THR 102 HB THR 102 -1.547 7.419 11.039 800 HG1 THR 102 HG1 THR 102 -2.216 6.032 12.568 801 HG21 THR 102 HG21 THR 102 -4.201 8.301 12.152 802 HG22 THR 102 HG22 THR 102 -3.246 9.354 11.097 803 HG23 THR 102 HG23 THR 102 -2.571 8.757 12.685 804 H GLN 103 H GLN 103 -4.142 4.749 9.679 805 HA GLN 103 HA GLN 103 -2.124 3.886 7.683 806 HB2 GLN 103 HB2 GLN 103 -2.872 2.326 10.127 807 HB3 GLN 103 HB3 GLN 103 -1.854 1.750 8.830 808 HG2 GLN 103 HG2 GLN 103 -0.199 3.532 9.387 809 HG3 GLN 103 HG3 GLN 103 -1.245 3.977 10.770 810 HE21 GLN 103 HE21 GLN 103 1.512 2.748 10.275 811 HE22 GLN 103 HE22 GLN 103 1.576 1.405 11.394 812 H GLY 104 H GLY 104 -3.061 2.133 6.327 813 HA2 GLY 104 HA2 GLY 104 -4.896 0.855 5.578 814 HA3 GLY 104 HA3 GLY 104 -5.909 1.426 6.895 815 H ASN 105 H ASN 105 -4.185 3.925 5.507 816 HA ASN 105 HA ASN 105 -6.595 4.849 4.059 817 HB2 ASN 105 HB2 ASN 105 -5.716 7.055 4.370 818 HB3 ASN 105 HB3 ASN 105 -5.743 6.206 5.896 819 HD21 ASN 105 HD21 ASN 105 -4.129 8.479 4.733 820 HD22 ASN 105 HD22 ASN 105 -2.489 8.035 5.153 821 H GLU 106 H GLU 106 -3.241 3.897 3.572 822 HA GLU 106 HA GLU 106 -3.401 4.598 0.686 823 HB2 GLU 106 HB2 GLU 106 -1.111 5.394 2.598 824 HB3 GLU 106 HB3 GLU 106 -1.055 5.438 0.838 825 HG2 GLU 106 HG2 GLU 106 -2.976 7.026 0.808 826 HG3 GLU 106 HG3 GLU 106 -2.907 7.131 2.591 827 H MET 107 H MET 107 -1.419 3.650 -0.445 828 HA MET 107 HA MET 107 -1.250 0.798 -0.038 829 HB2 MET 107 HB2 MET 107 -1.047 2.012 -2.256 830 HB3 MET 107 HB3 MET 107 0.495 2.658 -1.717 831 HG2 MET 107 HG2 MET 107 1.382 0.378 -1.568 832 HG3 MET 107 HG3 MET 107 -0.138 -0.239 -2.180 833 HE1 MET 107 HE1 MET 107 3.161 1.722 -2.652 834 HE2 MET 107 HE2 MET 107 2.108 3.108 -3.037 835 HE3 MET 107 HE3 MET 107 3.096 2.375 -4.304 836 H ARG 108 H ARG 108 0.522 -0.511 0.599 837 HA ARG 108 HA ARG 108 3.032 0.687 1.742 838 HB2 ARG 108 HB2 ARG 108 1.259 0.293 3.503 839 HB3 ARG 108 HB3 ARG 108 1.212 -1.415 2.948 840 HG2 ARG 108 HG2 ARG 108 3.544 -1.709 3.677 841 HG3 ARG 108 HG3 ARG 108 3.548 -0.073 4.369 842 HD2 ARG 108 HD2 ARG 108 1.591 -2.296 5.144 843 HD3 ARG 108 HD3 ARG 108 3.018 -1.890 6.071 844 HE ARG 108 HE ARG 108 1.552 0.500 5.769 845 HH11 ARG 108 HH11 ARG 108 1.018 -2.668 7.218 846 HH12 ARG 108 HH12 ARG 108 -0.103 -2.031 8.448 847 HH21 ARG 108 HH21 ARG 108 0.116 1.226 7.299 848 HH22 ARG 108 HH22 ARG 108 -0.624 0.064 8.392 849 H LEU 109 H LEU 109 4.856 -0.869 1.418 850 HA LEU 109 HA LEU 109 4.177 -3.253 -0.287 851 HB2 LEU 109 HB2 LEU 109 6.752 -1.843 0.481 852 HB3 LEU 109 HB3 LEU 109 6.730 -3.494 -0.096 853 HG LEU 109 HG LEU 109 5.636 -1.215 -1.707 854 HD11 LEU 109 HD11 LEU 109 7.685 -1.158 -2.939 855 HD12 LEU 109 HD12 LEU 109 8.343 -2.518 -2.069 856 HD13 LEU 109 HD13 LEU 109 8.119 -0.996 -1.244 857 HD21 LEU 109 HD21 LEU 109 6.350 -4.154 -2.282 858 HD22 LEU 109 HD22 LEU 109 4.729 -3.410 -2.367 859 HD23 LEU 109 HD23 LEU 109 5.973 -2.958 -3.549 860 H LEU 110 H LEU 110 4.059 -5.302 0.559 861 HA LEU 110 HA LEU 110 4.767 -5.421 3.432 862 HB2 LEU 110 HB2 LEU 110 3.082 -7.356 1.806 863 HB3 LEU 110 HB3 LEU 110 3.438 -7.479 3.543 864 HG LEU 110 HG LEU 110 1.917 -5.172 2.250 865 HD11 LEU 110 HD11 LEU 110 0.985 -7.558 3.842 866 HD12 LEU 110 HD12 LEU 110 0.679 -7.228 2.108 867 HD13 LEU 110 HD13 LEU 110 -0.032 -6.174 3.349 868 HD21 LEU 110 HD21 LEU 110 2.512 -5.912 5.131 869 HD22 LEU 110 HD22 LEU 110 1.354 -4.669 4.629 870 HD23 LEU 110 HD23 LEU 110 3.050 -4.451 4.239 871 H SER 111 H SER 111 5.340 -7.379 0.461 872 HA SER 111 HA SER 111 7.885 -8.347 1.625 873 HB2 SER 111 HB2 SER 111 5.675 -10.228 0.719 874 HB3 SER 111 HB3 SER 111 7.319 -10.685 1.135 875 HG SER 111 HG SER 111 6.281 -9.203 3.117 876 H LEU 112 H LEU 112 9.304 -9.114 -0.118 877 HA LEU 112 HA LEU 112 8.143 -8.878 -2.877 878 HB2 LEU 112 HB2 LEU 112 10.821 -7.860 -1.911 879 HB3 LEU 112 HB3 LEU 112 10.310 -8.019 -3.611 880 HG LEU 112 HG LEU 112 8.672 -6.232 -3.264 881 HD11 LEU 112 HD11 LEU 112 9.018 -4.640 -1.313 882 HD12 LEU 112 HD12 LEU 112 9.950 -5.954 -0.485 883 HD13 LEU 112 HD13 LEU 112 8.225 -6.147 -0.877 884 HD21 LEU 112 HD21 LEU 112 10.332 -4.462 -3.316 885 HD22 LEU 112 HD22 LEU 112 11.037 -5.959 -4.099 886 HD23 LEU 112 HD23 LEU 112 11.530 -5.542 -2.438 887 H GLU 113 H GLU 113 8.914 -10.580 -4.236 888 HA GLU 113 HA GLU 113 10.825 -12.552 -2.976 889 HB2 GLU 113 HB2 GLU 113 8.567 -13.370 -3.791 890 HB3 GLU 113 HB3 GLU 113 9.007 -12.878 -5.428 891 HG2 GLU 113 HG2 GLU 113 9.429 -15.199 -5.346 892 HG3 GLU 113 HG3 GLU 113 11.033 -14.409 -5.242 893 H MET 114 H MET 114 12.961 -12.426 -3.923 894 HA MET 114 HA MET 114 13.133 -10.775 -6.428 895 HB2 MET 114 HB2 MET 114 14.759 -10.397 -3.895 896 HB3 MET 114 HB3 MET 114 14.933 -9.466 -5.390 897 HG2 MET 114 HG2 MET 114 12.598 -8.598 -5.077 898 HG3 MET 114 HG3 MET 114 12.433 -9.610 -3.618 899 HE1 MET 114 HE1 MET 114 14.764 -7.102 -5.203 900 HE2 MET 114 HE2 MET 114 15.124 -5.948 -3.904 901 HE3 MET 114 HE3 MET 114 13.536 -5.953 -4.655 902 H LEU 115 H LEU 115 14.999 -10.991 -7.715 903 HA LEU 115 HA LEU 115 16.650 -13.389 -7.047 904 HB2 LEU 115 HB2 LEU 115 16.155 -12.015 -9.698 905 HB3 LEU 115 HB3 LEU 115 17.178 -13.438 -9.454 906 HG LEU 115 HG LEU 115 14.241 -13.393 -8.938 907 HD11 LEU 115 HD11 LEU 115 14.740 -13.050 -11.315 908 HD12 LEU 115 HD12 LEU 115 13.993 -14.639 -11.000 909 HD13 LEU 115 HD13 LEU 115 15.758 -14.558 -11.308 910 HD21 LEU 115 HD21 LEU 115 15.443 -15.116 -7.615 911 HD22 LEU 115 HD22 LEU 115 16.116 -15.785 -9.137 912 HD23 LEU 115 HD23 LEU 115 14.379 -15.818 -8.802 913 H ALA 116 H ALA 116 18.745 -13.189 -6.720 914 HA ALA 116 HA ALA 116 19.888 -10.584 -6.326 915 HB1 ALA 116 HB1 ALA 116 20.602 -12.623 -5.088 916 HB2 ALA 116 HB2 ALA 116 21.935 -11.755 -5.837 917 HB3 ALA 116 HB3 ALA 116 21.324 -13.234 -6.566 918 H GLU 117 H GLU 117 21.446 -9.489 -7.342 919 HA GLU 117 HA GLU 117 21.416 -9.665 -10.220 920 HB2 GLU 117 HB2 GLU 117 22.769 -7.704 -10.196 921 HB3 GLU 117 HB3 GLU 117 21.509 -7.530 -8.933 922 HG2 GLU 117 HG2 GLU 117 23.213 -8.104 -7.250 923 HG3 GLU 117 HG3 GLU 117 24.433 -8.248 -8.538 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -8.608 9.799 -4.312 2 H2 MET 1 H2 MET 1 -8.638 8.308 -5.008 3 H3 MET 1 H3 MET 1 -8.972 9.621 -5.922 4 HA MET 1 HA MET 1 -6.717 10.378 -5.754 5 HB2 MET 1 HB2 MET 1 -6.495 7.978 -3.941 6 HB3 MET 1 HB3 MET 1 -5.085 8.641 -4.740 7 HG2 MET 1 HG2 MET 1 -5.173 9.533 -2.548 8 HG3 MET 1 HG3 MET 1 -5.460 10.848 -3.683 9 HE1 MET 1 HE1 MET 1 -8.247 12.531 -1.884 10 HE2 MET 1 HE2 MET 1 -7.263 12.512 -3.408 11 HE3 MET 1 HE3 MET 1 -6.454 12.428 -1.796 12 H HIS 2 H HIS 2 -5.158 9.672 -7.312 13 HA HIS 2 HA HIS 2 -6.362 7.870 -9.201 14 HB2 HIS 2 HB2 HIS 2 -3.625 9.183 -9.090 15 HB3 HIS 2 HB3 HIS 2 -4.322 8.369 -10.561 16 HD1 HIS 2 HD1 HIS 2 -6.706 9.581 -11.453 17 HD2 HIS 2 HD2 HIS 2 -4.234 11.825 -8.869 18 HE1 HIS 2 HE1 HIS 2 -7.452 12.012 -11.701 19 HE2 HIS 2 HE2 HIS 2 -5.964 13.346 -10.093 20 H GLU 3 H GLU 3 -5.929 5.604 -9.486 21 HA GLU 3 HA GLU 3 -4.143 4.340 -7.543 22 HB2 GLU 3 HB2 GLU 3 -5.399 3.275 -10.111 23 HB3 GLU 3 HB3 GLU 3 -4.466 2.287 -8.968 24 HG2 GLU 3 HG2 GLU 3 -6.755 1.824 -8.504 25 HG3 GLU 3 HG3 GLU 3 -6.242 2.916 -7.188 26 H TYR 4 H TYR 4 -3.992 5.404 -10.893 27 HA TYR 4 HA TYR 4 -1.545 4.031 -11.629 28 HB2 TYR 4 HB2 TYR 4 -3.058 6.441 -12.709 29 HB3 TYR 4 HB3 TYR 4 -1.583 5.836 -13.444 30 HD1 TYR 4 HD1 TYR 4 -5.086 4.741 -12.558 31 HD2 TYR 4 HD2 TYR 4 -1.618 3.950 -14.947 32 HE1 TYR 4 HE1 TYR 4 -6.332 3.052 -13.862 33 HE2 TYR 4 HE2 TYR 4 -2.859 2.261 -16.252 34 HH TYR 4 HH TYR 4 -4.823 1.342 -16.670 35 H SER 5 H SER 5 -2.107 7.114 -9.973 36 HA SER 5 HA SER 5 0.678 7.895 -10.299 37 HB2 SER 5 HB2 SER 5 -1.109 9.579 -9.755 38 HB3 SER 5 HB3 SER 5 -1.398 8.744 -8.231 39 HG SER 5 HG SER 5 0.052 10.632 -8.226 40 H VAL 6 H VAL 6 -1.126 6.089 -7.879 41 HA VAL 6 HA VAL 6 1.059 5.997 -6.018 42 HB VAL 6 HB VAL 6 -1.330 4.121 -6.268 43 HG11 VAL 6 HG11 VAL 6 0.311 2.998 -4.951 44 HG12 VAL 6 HG12 VAL 6 -0.840 3.666 -3.809 45 HG13 VAL 6 HG13 VAL 6 0.715 4.478 -4.060 46 HG21 VAL 6 HG21 VAL 6 -2.343 5.461 -4.470 47 HG22 VAL 6 HG22 VAL 6 -2.010 6.480 -5.891 48 HG23 VAL 6 HG23 VAL 6 -0.906 6.537 -4.467 49 H VAL 7 H VAL 7 -0.110 3.819 -8.603 50 HA VAL 7 HA VAL 7 1.853 1.735 -8.136 51 HB VAL 7 HB VAL 7 0.212 2.427 -10.597 52 HG11 VAL 7 HG11 VAL 7 2.219 1.060 -11.104 53 HG12 VAL 7 HG12 VAL 7 0.707 0.192 -11.363 54 HG13 VAL 7 HG13 VAL 7 1.675 -0.155 -9.918 55 HG21 VAL 7 HG21 VAL 7 -1.203 0.481 -9.779 56 HG22 VAL 7 HG22 VAL 7 -1.152 1.783 -8.614 57 HG23 VAL 7 HG23 VAL 7 -0.132 0.339 -8.380 58 H SER 8 H SER 8 1.859 4.765 -10.060 59 HA SER 8 HA SER 8 4.144 4.053 -11.572 60 HB2 SER 8 HB2 SER 8 2.766 6.020 -12.084 61 HB3 SER 8 HB3 SER 8 3.327 6.796 -10.579 62 HG SER 8 HG SER 8 4.856 6.068 -12.879 63 H SER 9 H SER 9 3.778 5.563 -8.302 64 HA SER 9 HA SER 9 6.649 5.805 -7.975 65 HB2 SER 9 HB2 SER 9 6.183 6.457 -5.691 66 HB3 SER 9 HB3 SER 9 5.005 7.231 -6.793 67 HG SER 9 HG SER 9 3.587 5.382 -6.230 68 H LEU 10 H LEU 10 4.292 3.276 -7.506 69 HA LEU 10 HA LEU 10 5.670 1.701 -5.548 70 HB2 LEU 10 HB2 LEU 10 3.333 1.257 -6.254 71 HB3 LEU 10 HB3 LEU 10 3.912 0.765 -7.848 72 HG LEU 10 HG LEU 10 5.126 -1.071 -6.902 73 HD11 LEU 10 HD11 LEU 10 5.550 -0.381 -4.629 74 HD12 LEU 10 HD12 LEU 10 4.638 -1.882 -4.676 75 HD13 LEU 10 HD13 LEU 10 3.845 -0.398 -4.279 76 HD21 LEU 10 HD21 LEU 10 3.087 -2.424 -6.323 77 HD22 LEU 10 HD22 LEU 10 2.857 -1.359 -7.754 78 HD23 LEU 10 HD23 LEU 10 2.167 -0.924 -6.162 79 H ILE 11 H ILE 11 5.830 1.797 -9.097 80 HA ILE 11 HA ILE 11 7.565 -0.469 -9.280 81 HB ILE 11 HB ILE 11 7.347 1.919 -11.189 82 HG12 ILE 11 HG12 ILE 11 5.161 0.773 -10.906 83 HG13 ILE 11 HG13 ILE 11 5.839 0.424 -12.497 84 HG21 ILE 11 HG21 ILE 11 8.571 -0.851 -11.543 85 HG22 ILE 11 HG22 ILE 11 9.432 0.714 -11.643 86 HG23 ILE 11 HG23 ILE 11 8.220 0.267 -12.868 87 HD11 ILE 11 HD11 ILE 11 6.509 -1.845 -11.703 88 HD12 ILE 11 HD12 ILE 11 4.747 -1.543 -11.580 89 HD13 ILE 11 HD13 ILE 11 5.723 -1.503 -10.155 90 H ALA 12 H ALA 12 8.200 3.037 -8.946 91 HA ALA 12 HA ALA 12 11.036 2.724 -9.093 92 HB1 ALA 12 HB1 ALA 12 9.401 4.835 -7.687 93 HB2 ALA 12 HB2 ALA 12 9.897 4.884 -9.397 94 HB3 ALA 12 HB3 ALA 12 11.137 4.955 -8.099 95 H LEU 13 H LEU 13 8.732 2.654 -6.407 96 HA LEU 13 HA LEU 13 10.702 2.628 -4.320 97 HB2 LEU 13 HB2 LEU 13 8.259 3.054 -4.091 98 HB3 LEU 13 HB3 LEU 13 7.982 1.359 -4.414 99 HG LEU 13 HG LEU 13 9.172 0.731 -2.350 100 HD11 LEU 13 HD11 LEU 13 9.440 3.743 -2.040 101 HD12 LEU 13 HD12 LEU 13 10.771 2.560 -2.061 102 HD13 LEU 13 HD13 LEU 13 9.634 2.624 -0.710 103 HD21 LEU 13 HD21 LEU 13 6.679 1.138 -2.327 104 HD22 LEU 13 HD22 LEU 13 7.004 2.822 -1.929 105 HD23 LEU 13 HD23 LEU 13 7.438 1.576 -0.798 106 H CYS 14 H CYS 14 9.225 0.122 -6.372 107 HA CYS 14 HA CYS 14 10.426 -2.149 -4.988 108 HB2 CYS 14 HB2 CYS 14 9.412 -1.790 -7.849 109 HB3 CYS 14 HB3 CYS 14 9.934 -3.311 -7.142 110 HG CYS 14 HG CYS 14 7.413 -1.366 -6.278 111 H GLU 15 H GLU 15 11.422 0.043 -7.695 112 HA GLU 15 HA GLU 15 13.838 -1.415 -8.285 113 HB2 GLU 15 HB2 GLU 15 13.112 1.460 -8.773 114 HB3 GLU 15 HB3 GLU 15 14.572 0.617 -9.314 115 HG2 GLU 15 HG2 GLU 15 13.232 -0.939 -10.569 116 HG3 GLU 15 HG3 GLU 15 11.737 -0.121 -10.067 117 H GLU 16 H GLU 16 13.120 1.123 -5.825 118 HA GLU 16 HA GLU 16 15.951 1.370 -5.427 119 HB2 GLU 16 HB2 GLU 16 15.642 2.692 -3.485 120 HB3 GLU 16 HB3 GLU 16 14.452 3.235 -4.670 121 HG2 GLU 16 HG2 GLU 16 12.711 1.947 -3.392 122 HG3 GLU 16 HG3 GLU 16 13.977 1.434 -2.255 123 H HIS 17 H HIS 17 13.417 -0.680 -4.212 124 HA HIS 17 HA HIS 17 14.965 -1.861 -2.035 125 HB2 HIS 17 HB2 HIS 17 12.500 -2.875 -3.501 126 HB3 HIS 17 HB3 HIS 17 13.327 -3.767 -2.201 127 HD1 HIS 17 HD1 HIS 17 13.521 -2.695 0.177 128 HD2 HIS 17 HD2 HIS 17 10.731 -0.876 -2.367 129 HE1 HIS 17 HE1 HIS 17 12.025 -1.215 1.655 130 HE2 HIS 17 HE2 HIS 17 10.319 -0.210 0.148 131 H ALA 18 H ALA 18 14.628 -2.478 -5.524 132 HA ALA 18 HA ALA 18 16.089 -4.957 -5.469 133 HB1 ALA 18 HB1 ALA 18 14.835 -4.145 -7.443 134 HB2 ALA 18 HB2 ALA 18 16.085 -2.913 -7.693 135 HB3 ALA 18 HB3 ALA 18 16.474 -4.617 -7.804 136 H LYS 19 H LYS 19 17.086 -1.555 -5.271 137 HA LYS 19 HA LYS 19 19.922 -2.225 -5.677 138 HB2 LYS 19 HB2 LYS 19 18.603 0.228 -4.452 139 HB3 LYS 19 HB3 LYS 19 20.331 0.134 -4.893 140 HG2 LYS 19 HG2 LYS 19 19.611 -0.199 -7.275 141 HG3 LYS 19 HG3 LYS 19 17.932 -0.081 -6.742 142 HD2 LYS 19 HD2 LYS 19 18.352 2.114 -5.692 143 HD3 LYS 19 HD3 LYS 19 19.942 2.105 -6.541 144 HE2 LYS 19 HE2 LYS 19 17.162 1.902 -7.801 145 HE3 LYS 19 HE3 LYS 19 18.233 3.344 -7.831 146 HZ1 LYS 19 HZ1 LYS 19 18.445 2.044 -9.878 147 HZ2 LYS 19 HZ2 LYS 19 18.765 0.635 -9.048 148 HZ3 LYS 19 HZ3 LYS 19 19.839 1.906 -9.026 149 H LYS 20 H LYS 20 17.757 -1.770 -2.900 150 HA LYS 20 HA LYS 20 19.859 -1.919 -0.882 151 HB2 LYS 20 HB2 LYS 20 16.888 -2.335 -0.697 152 HB3 LYS 20 HB3 LYS 20 17.981 -2.244 0.692 153 HG2 LYS 20 HG2 LYS 20 18.549 0.024 0.054 154 HG3 LYS 20 HG3 LYS 20 17.441 -0.032 -1.325 155 HD2 LYS 20 HD2 LYS 20 15.558 -0.530 0.265 156 HD3 LYS 20 HD3 LYS 20 16.735 -0.247 1.583 157 HE2 LYS 20 HE2 LYS 20 17.158 2.040 0.773 158 HE3 LYS 20 HE3 LYS 20 16.014 1.766 -0.566 159 HZ1 LYS 20 HZ1 LYS 20 15.463 2.001 2.324 160 HZ2 LYS 20 HZ2 LYS 20 14.351 1.467 1.239 161 HZ3 LYS 20 HZ3 LYS 20 14.942 2.997 1.088 162 H ASN 21 H ASN 21 17.994 -4.297 -2.740 163 HA ASN 21 HA ASN 21 18.854 -6.389 -0.782 164 HB2 ASN 21 HB2 ASN 21 16.448 -6.022 -1.674 165 HB3 ASN 21 HB3 ASN 21 16.979 -6.745 -3.188 166 HD21 ASN 21 HD21 ASN 21 18.196 -9.029 -2.672 167 HD22 ASN 21 HD22 ASN 21 17.252 -10.016 -1.578 168 H GLN 22 H GLN 22 20.063 -4.817 -3.354 169 HA GLN 22 HA GLN 22 21.646 -5.217 -4.994 170 HB2 GLN 22 HB2 GLN 22 22.311 -7.600 -3.220 171 HB3 GLN 22 HB3 GLN 22 23.385 -6.892 -4.460 172 HG2 GLN 22 HG2 GLN 22 23.307 -4.718 -3.130 173 HG3 GLN 22 HG3 GLN 22 22.333 -5.532 -1.918 174 HE21 GLN 22 HE21 GLN 22 24.882 -4.279 -1.587 175 HE22 GLN 22 HE22 GLN 22 25.928 -5.536 -0.964 176 H ALA 23 H ALA 23 19.166 -5.943 -5.733 177 HA ALA 23 HA ALA 23 19.519 -8.580 -7.142 178 HB1 ALA 23 HB1 ALA 23 16.974 -7.208 -6.065 179 HB2 ALA 23 HB2 ALA 23 17.012 -8.699 -7.005 180 HB3 ALA 23 HB3 ALA 23 17.724 -8.658 -5.392 181 H HIS 24 H HIS 24 18.658 -8.674 -9.282 182 HA HIS 24 HA HIS 24 18.670 -5.968 -10.573 183 HB2 HIS 24 HB2 HIS 24 19.465 -7.016 -12.556 184 HB3 HIS 24 HB3 HIS 24 20.432 -7.660 -11.211 185 HD1 HIS 24 HD1 HIS 24 18.225 -8.715 -14.020 186 HD2 HIS 24 HD2 HIS 24 19.693 -10.415 -10.446 187 HE1 HIS 24 HE1 HIS 24 17.919 -11.272 -14.155 188 HE2 HIS 24 HE2 HIS 24 18.740 -12.231 -11.965 189 H LYS 25 H LYS 25 16.527 -8.692 -9.980 190 HA LYS 25 HA LYS 25 14.455 -7.316 -11.608 191 HB2 LYS 25 HB2 LYS 25 15.628 -8.920 -13.121 192 HB3 LYS 25 HB3 LYS 25 15.153 -10.233 -12.031 193 HG2 LYS 25 HG2 LYS 25 12.765 -9.638 -12.435 194 HG3 LYS 25 HG3 LYS 25 13.296 -8.360 -13.563 195 HD2 LYS 25 HD2 LYS 25 14.431 -10.101 -14.941 196 HD3 LYS 25 HD3 LYS 25 13.837 -11.347 -13.836 197 HE2 LYS 25 HE2 LYS 25 12.413 -11.282 -15.773 198 HE3 LYS 25 HE3 LYS 25 11.502 -10.601 -14.386 199 HZ1 LYS 25 HZ1 LYS 25 11.290 -9.323 -16.393 200 HZ2 LYS 25 HZ2 LYS 25 12.912 -9.077 -16.446 201 HZ3 LYS 25 HZ3 LYS 25 12.036 -8.430 -15.231 202 H ILE 26 H ILE 26 12.373 -7.510 -10.802 203 HA ILE 26 HA ILE 26 12.132 -9.190 -8.348 204 HB ILE 26 HB ILE 26 10.499 -6.797 -9.267 205 HG12 ILE 26 HG12 ILE 26 12.565 -7.109 -7.015 206 HG13 ILE 26 HG13 ILE 26 12.990 -6.460 -8.582 207 HG21 ILE 26 HG21 ILE 26 9.168 -8.397 -7.821 208 HG22 ILE 26 HG22 ILE 26 10.474 -8.384 -6.608 209 HG23 ILE 26 HG23 ILE 26 9.537 -6.916 -6.937 210 HD11 ILE 26 HD11 ILE 26 11.378 -4.610 -8.331 211 HD12 ILE 26 HD12 ILE 26 12.604 -4.656 -7.064 212 HD13 ILE 26 HD13 ILE 26 10.945 -5.223 -6.696 213 H GLU 27 H GLU 27 10.886 -11.012 -8.494 214 HA GLU 27 HA GLU 27 9.216 -11.490 -10.901 215 HB2 GLU 27 HB2 GLU 27 10.196 -13.307 -8.717 216 HB3 GLU 27 HB3 GLU 27 9.070 -13.798 -9.964 217 HG2 GLU 27 HG2 GLU 27 11.813 -12.739 -10.469 218 HG3 GLU 27 HG3 GLU 27 11.325 -14.457 -10.513 219 H ARG 28 H ARG 28 8.764 -10.933 -7.490 220 HA ARG 28 HA ARG 28 5.840 -10.799 -8.019 221 HB2 ARG 28 HB2 ARG 28 6.286 -13.153 -7.159 222 HB3 ARG 28 HB3 ARG 28 6.943 -12.363 -5.711 223 HG2 ARG 28 HG2 ARG 28 4.705 -11.394 -5.289 224 HG3 ARG 28 HG3 ARG 28 4.040 -12.217 -6.740 225 HD2 ARG 28 HD2 ARG 28 4.750 -14.414 -5.742 226 HD3 ARG 28 HD3 ARG 28 5.263 -13.607 -4.262 227 HE ARG 28 HE ARG 28 2.549 -12.893 -4.825 228 HH11 ARG 28 HH11 ARG 28 0.920 -13.781 -3.508 229 HH12 ARG 28 HH12 ARG 28 1.170 -15.324 -2.720 230 HH21 ARG 28 HH21 ARG 28 4.421 -15.654 -3.744 231 HH22 ARG 28 HH22 ARG 28 3.130 -16.255 -2.732 232 H VAL 29 H VAL 29 4.755 -9.237 -6.902 233 HA VAL 29 HA VAL 29 6.273 -7.937 -4.671 234 HB VAL 29 HB VAL 29 4.550 -6.609 -6.856 235 HG11 VAL 29 HG11 VAL 29 4.204 -5.475 -4.719 236 HG12 VAL 29 HG12 VAL 29 5.910 -5.438 -4.398 237 HG13 VAL 29 HG13 VAL 29 5.270 -4.471 -5.707 238 HG21 VAL 29 HG21 VAL 29 6.880 -7.195 -7.587 239 HG22 VAL 29 HG22 VAL 29 7.525 -6.329 -6.208 240 HG23 VAL 29 HG23 VAL 29 6.656 -5.480 -7.495 241 H VAL 30 H VAL 30 5.006 -8.081 -2.778 242 HA VAL 30 HA VAL 30 2.078 -8.279 -3.344 243 HB VAL 30 HB VAL 30 1.666 -9.502 -1.297 244 HG11 VAL 30 HG11 VAL 30 2.303 -10.648 -3.512 245 HG12 VAL 30 HG12 VAL 30 3.876 -10.964 -2.780 246 HG13 VAL 30 HG13 VAL 30 2.415 -11.615 -2.068 247 HG21 VAL 30 HG21 VAL 30 3.651 -8.667 0.031 248 HG22 VAL 30 HG22 VAL 30 4.694 -9.774 -0.898 249 HG23 VAL 30 HG23 VAL 30 3.417 -10.403 0.121 250 H VAL 31 H VAL 31 0.772 -6.820 -2.238 251 HA VAL 31 HA VAL 31 2.313 -4.754 -0.723 252 HB VAL 31 HB VAL 31 0.829 -3.035 -1.772 253 HG11 VAL 31 HG11 VAL 31 3.054 -3.587 -2.770 254 HG12 VAL 31 HG12 VAL 31 1.848 -2.902 -3.899 255 HG13 VAL 31 HG13 VAL 31 2.191 -4.645 -3.918 256 HG21 VAL 31 HG21 VAL 31 -0.078 -5.199 -3.693 257 HG22 VAL 31 HG22 VAL 31 -1.094 -4.651 -2.326 258 HG23 VAL 31 HG23 VAL 31 -0.642 -3.516 -3.603 259 H GLY 32 H GLY 32 1.027 -3.411 0.619 260 HA2 GLY 32 HA2 GLY 32 -1.346 -4.858 1.738 261 HA3 GLY 32 HA3 GLY 32 -0.218 -3.845 2.728 262 H ILE 33 H ILE 33 -3.241 -3.705 1.435 263 HA ILE 33 HA ILE 33 -2.936 -0.749 0.880 264 HB ILE 33 HB ILE 33 -4.832 -2.638 -0.620 265 HG12 ILE 33 HG12 ILE 33 -2.516 -0.869 -1.594 266 HG13 ILE 33 HG13 ILE 33 -2.361 -2.631 -1.394 267 HG21 ILE 33 HG21 ILE 33 -4.444 0.423 -0.884 268 HG22 ILE 33 HG22 ILE 33 -5.851 -0.414 -0.107 269 HG23 ILE 33 HG23 ILE 33 -5.561 -0.635 -1.828 270 HD11 ILE 33 HD11 ILE 33 -3.907 -1.055 -3.477 271 HD12 ILE 33 HD12 ILE 33 -2.696 -2.353 -3.699 272 HD13 ILE 33 HD13 ILE 33 -4.342 -2.739 -3.127 273 H GLY 34 H GLY 34 -4.139 0.398 2.197 274 HA2 GLY 34 HA2 GLY 34 -5.478 -0.846 4.397 275 HA3 GLY 34 HA3 GLY 34 -5.489 0.868 4.012 276 H GLU 35 H GLU 35 -7.542 -0.945 4.999 277 HA GLU 35 HA GLU 35 -9.448 -1.502 2.950 278 HB2 GLU 35 HB2 GLU 35 -10.952 -2.005 4.835 279 HB3 GLU 35 HB3 GLU 35 -9.287 -2.609 5.194 280 HG2 GLU 35 HG2 GLU 35 -8.918 -0.560 6.523 281 HG3 GLU 35 HG3 GLU 35 -10.620 -0.082 6.190 282 H ARG 36 H ARG 36 -8.609 1.516 4.446 283 HA ARG 36 HA ARG 36 -11.133 2.637 3.337 284 HB2 ARG 36 HB2 ARG 36 -9.244 3.890 5.307 285 HB3 ARG 36 HB3 ARG 36 -10.675 4.624 4.641 286 HG2 ARG 36 HG2 ARG 36 -12.069 2.892 5.666 287 HG3 ARG 36 HG3 ARG 36 -10.583 2.326 6.511 288 HD2 ARG 36 HD2 ARG 36 -10.202 4.724 7.175 289 HD3 ARG 36 HD3 ARG 36 -11.755 5.133 6.461 290 HE ARG 36 HE ARG 36 -12.105 3.116 8.483 291 HH11 ARG 36 HH11 ARG 36 -12.646 3.628 10.565 292 HH12 ARG 36 HH12 ARG 36 -12.450 5.269 11.161 293 HH21 ARG 36 HH21 ARG 36 -11.427 6.520 8.106 294 HH22 ARG 36 HH22 ARG 36 -11.871 6.891 9.757 295 H SER 37 H SER 37 -8.328 1.957 2.063 296 HA SER 37 HA SER 37 -7.163 4.494 1.441 297 HB2 SER 37 HB2 SER 37 -6.033 3.451 -0.352 298 HB3 SER 37 HB3 SER 37 -5.938 2.380 1.048 299 HG SER 37 HG SER 37 -7.431 1.070 0.228 300 H ALA 38 H ALA 38 -7.490 5.873 -0.337 301 HA ALA 38 HA ALA 38 -10.208 5.793 -1.483 302 HB1 ALA 38 HB1 ALA 38 -9.431 7.933 -2.505 303 HB2 ALA 38 HB2 ALA 38 -7.827 7.687 -1.802 304 HB3 ALA 38 HB3 ALA 38 -9.256 7.920 -0.757 305 H MET 39 H MET 39 -8.630 3.595 -2.227 306 HA MET 39 HA MET 39 -8.081 4.102 -5.127 307 HB2 MET 39 HB2 MET 39 -6.792 2.221 -3.098 308 HB3 MET 39 HB3 MET 39 -6.363 2.264 -4.804 309 HG2 MET 39 HG2 MET 39 -5.494 4.544 -4.565 310 HG3 MET 39 HG3 MET 39 -6.025 4.575 -2.876 311 HE1 MET 39 HE1 MET 39 -2.512 2.021 -4.229 312 HE2 MET 39 HE2 MET 39 -4.159 1.775 -4.901 313 HE3 MET 39 HE3 MET 39 -3.303 3.307 -5.192 314 H ASP 40 H ASP 40 -8.884 2.674 -6.570 315 HA ASP 40 HA ASP 40 -10.705 0.508 -5.627 316 HB2 ASP 40 HB2 ASP 40 -9.917 1.538 -8.375 317 HB3 ASP 40 HB3 ASP 40 -11.009 0.189 -8.141 318 H LYS 41 H LYS 41 -10.072 -1.605 -5.544 319 HA LYS 41 HA LYS 41 -7.261 -2.274 -5.886 320 HB2 LYS 41 HB2 LYS 41 -9.697 -4.002 -5.478 321 HB3 LYS 41 HB3 LYS 41 -8.013 -4.561 -5.435 322 HG2 LYS 41 HG2 LYS 41 -7.514 -3.056 -3.560 323 HG3 LYS 41 HG3 LYS 41 -9.138 -2.413 -3.615 324 HD2 LYS 41 HD2 LYS 41 -9.082 -3.969 -1.828 325 HD3 LYS 41 HD3 LYS 41 -9.990 -4.716 -3.168 326 HE2 LYS 41 HE2 LYS 41 -8.061 -6.086 -3.785 327 HE3 LYS 41 HE3 LYS 41 -7.112 -5.297 -2.523 328 HZ1 LYS 41 HZ1 LYS 41 -7.915 -7.388 -1.768 329 HZ2 LYS 41 HZ2 LYS 41 -8.584 -6.187 -0.860 330 HZ3 LYS 41 HZ3 LYS 41 -9.479 -6.969 -2.016 331 H SER 42 H SER 42 -10.096 -2.668 -7.919 332 HA SER 42 HA SER 42 -8.758 -4.553 -9.641 333 HB2 SER 42 HB2 SER 42 -11.206 -4.368 -9.581 334 HB3 SER 42 HB3 SER 42 -11.114 -2.800 -10.325 335 HG SER 42 HG SER 42 -11.085 -3.826 -12.173 336 H LEU 43 H LEU 43 -9.129 -1.052 -9.687 337 HA LEU 43 HA LEU 43 -7.807 -0.793 -12.217 338 HB2 LEU 43 HB2 LEU 43 -8.326 1.236 -10.084 339 HB3 LEU 43 HB3 LEU 43 -7.651 1.628 -11.667 340 HG LEU 43 HG LEU 43 -10.400 0.416 -11.228 341 HD11 LEU 43 HD11 LEU 43 -11.277 2.634 -11.683 342 HD12 LEU 43 HD12 LEU 43 -9.607 3.265 -11.994 343 HD13 LEU 43 HD13 LEU 43 -10.134 2.760 -10.317 344 HD21 LEU 43 HD21 LEU 43 -8.957 1.516 -13.670 345 HD22 LEU 43 HD22 LEU 43 -10.666 1.169 -13.613 346 HD23 LEU 43 HD23 LEU 43 -9.548 -0.163 -13.435 347 H PHE 44 H PHE 44 -6.864 -1.105 -8.888 348 HA PHE 44 HA PHE 44 -4.240 0.029 -9.196 349 HB2 PHE 44 HB2 PHE 44 -5.289 -0.426 -6.980 350 HB3 PHE 44 HB3 PHE 44 -5.160 -2.177 -7.293 351 HD1 PHE 44 HD1 PHE 44 -3.149 0.903 -6.672 352 HD2 PHE 44 HD2 PHE 44 -3.102 -3.332 -7.120 353 HE1 PHE 44 HE1 PHE 44 -0.877 0.824 -5.655 354 HE2 PHE 44 HE2 PHE 44 -0.854 -3.434 -6.057 355 HZ PHE 44 HZ PHE 44 0.271 -1.416 -5.353 356 H VAL 45 H VAL 45 -5.483 -3.311 -9.494 357 HA VAL 45 HA VAL 45 -2.829 -4.192 -10.219 358 HB VAL 45 HB VAL 45 -3.902 -6.388 -10.854 359 HG11 VAL 45 HG11 VAL 45 -4.702 -6.982 -8.664 360 HG12 VAL 45 HG12 VAL 45 -3.440 -5.794 -8.452 361 HG13 VAL 45 HG13 VAL 45 -5.144 -5.294 -8.319 362 HG21 VAL 45 HG21 VAL 45 -6.301 -6.712 -10.671 363 HG22 VAL 45 HG22 VAL 45 -5.958 -5.464 -11.895 364 HG23 VAL 45 HG23 VAL 45 -6.544 -5.019 -10.270 365 H SER 46 H SER 46 -5.419 -2.729 -11.965 366 HA SER 46 HA SER 46 -4.637 -3.647 -14.608 367 HB2 SER 46 HB2 SER 46 -6.886 -2.719 -14.143 368 HB3 SER 46 HB3 SER 46 -6.126 -1.120 -13.785 369 HG SER 46 HG SER 46 -6.917 -1.218 -15.907 370 H ALA 47 H ALA 47 -4.012 -0.840 -12.502 371 HA ALA 47 HA ALA 47 -2.332 0.554 -14.366 372 HB1 ALA 47 HB1 ALA 47 -3.324 1.720 -12.481 373 HB2 ALA 47 HB2 ALA 47 -1.576 1.684 -12.213 374 HB3 ALA 47 HB3 ALA 47 -2.651 0.572 -11.309 375 H PHE 48 H PHE 48 -1.806 -2.071 -11.967 376 HA PHE 48 HA PHE 48 1.039 -1.772 -11.937 377 HB2 PHE 48 HB2 PHE 48 -0.242 -3.127 -10.274 378 HB3 PHE 48 HB3 PHE 48 -0.452 -4.366 -11.543 379 HD1 PHE 48 HD1 PHE 48 1.864 -2.660 -9.313 380 HD2 PHE 48 HD2 PHE 48 1.510 -5.808 -12.269 381 HE1 PHE 48 HE1 PHE 48 4.067 -3.546 -8.630 382 HE2 PHE 48 HE2 PHE 48 3.743 -6.674 -11.634 383 HZ PHE 48 HZ PHE 48 5.046 -5.558 -9.790 384 H GLU 49 H GLU 49 -1.214 -3.531 -14.066 385 HA GLU 49 HA GLU 49 0.904 -4.812 -15.580 386 HB2 GLU 49 HB2 GLU 49 -1.977 -4.069 -16.283 387 HB3 GLU 49 HB3 GLU 49 -0.906 -5.004 -17.315 388 HG2 GLU 49 HG2 GLU 49 -0.658 -6.732 -15.636 389 HG3 GLU 49 HG3 GLU 49 -1.736 -5.881 -14.572 390 H THR 50 H THR 50 -0.745 -1.674 -15.764 391 HA THR 50 HA THR 50 0.322 -0.911 -18.326 392 HB THR 50 HB THR 50 -0.607 0.871 -16.049 393 HG1 THR 50 HG1 THR 50 -2.210 -0.588 -16.485 394 HG21 THR 50 HG21 THR 50 -1.338 2.371 -17.912 395 HG22 THR 50 HG22 THR 50 -0.439 1.283 -19.041 396 HG23 THR 50 HG23 THR 50 0.428 2.196 -17.764 397 H PHE 51 H PHE 51 1.419 -0.123 -14.951 398 HA PHE 51 HA PHE 51 3.710 1.326 -16.112 399 HB2 PHE 51 HB2 PHE 51 3.015 0.728 -13.248 400 HB3 PHE 51 HB3 PHE 51 4.447 1.580 -13.764 401 HD1 PHE 51 HD1 PHE 51 0.841 1.913 -13.268 402 HD2 PHE 51 HD2 PHE 51 4.406 3.713 -14.922 403 HE1 PHE 51 HE1 PHE 51 -0.310 4.050 -13.476 404 HE2 PHE 51 HE2 PHE 51 3.223 5.885 -15.103 405 HZ PHE 51 HZ PHE 51 0.856 6.051 -14.429 406 H ARG 52 H ARG 52 3.333 -2.021 -14.997 407 HA ARG 52 HA ARG 52 6.055 -2.224 -14.108 408 HB2 ARG 52 HB2 ARG 52 5.742 -4.587 -14.206 409 HB3 ARG 52 HB3 ARG 52 4.256 -3.837 -13.629 410 HG2 ARG 52 HG2 ARG 52 3.273 -4.110 -15.816 411 HG3 ARG 52 HG3 ARG 52 4.750 -4.891 -16.388 412 HD2 ARG 52 HD2 ARG 52 4.462 -6.649 -14.650 413 HD3 ARG 52 HD3 ARG 52 2.939 -5.904 -14.105 414 HE ARG 52 HE ARG 52 2.813 -6.384 -16.922 415 HH11 ARG 52 HH11 ARG 52 1.527 -8.017 -17.715 416 HH12 ARG 52 HH12 ARG 52 1.228 -9.470 -16.797 417 HH21 ARG 52 HH21 ARG 52 2.918 -8.364 -13.965 418 HH22 ARG 52 HH22 ARG 52 1.921 -9.598 -14.667 419 H GLU 53 H GLU 53 4.721 -2.171 -17.292 420 HA GLU 53 HA GLU 53 6.928 -3.410 -18.661 421 HB2 GLU 53 HB2 GLU 53 5.918 -2.536 -20.641 422 HB3 GLU 53 HB3 GLU 53 4.626 -3.007 -19.541 423 HG2 GLU 53 HG2 GLU 53 4.468 -0.635 -18.852 424 HG3 GLU 53 HG3 GLU 53 5.673 -0.246 -20.112 425 H GLU 54 H GLU 54 6.514 -0.251 -17.249 426 HA GLU 54 HA GLU 54 8.277 1.251 -18.917 427 HB2 GLU 54 HB2 GLU 54 7.416 1.607 -16.021 428 HB3 GLU 54 HB3 GLU 54 8.213 2.858 -17.037 429 HG2 GLU 54 HG2 GLU 54 5.538 1.594 -17.557 430 HG3 GLU 54 HG3 GLU 54 5.777 3.182 -16.847 431 H SER 55 H SER 55 8.883 -1.148 -16.536 432 HA SER 55 HA SER 55 11.706 -0.420 -16.659 433 HB2 SER 55 HB2 SER 55 11.004 0.497 -14.524 434 HB3 SER 55 HB3 SER 55 10.307 -1.074 -14.085 435 HG SER 55 HG SER 55 12.737 -0.298 -13.581 436 H LEU 56 H LEU 56 13.105 -2.056 -16.888 437 HA LEU 56 HA LEU 56 12.153 -4.632 -17.563 438 HB2 LEU 56 HB2 LEU 56 14.236 -3.510 -18.324 439 HB3 LEU 56 HB3 LEU 56 14.906 -3.793 -16.719 440 HG LEU 56 HG LEU 56 15.815 -5.212 -18.477 441 HD11 LEU 56 HD11 LEU 56 14.317 -7.048 -16.626 442 HD12 LEU 56 HD12 LEU 56 15.678 -6.051 -16.044 443 HD13 LEU 56 HD13 LEU 56 15.939 -7.243 -17.359 444 HD21 LEU 56 HD21 LEU 56 13.832 -5.386 -19.895 445 HD22 LEU 56 HD22 LEU 56 13.017 -6.330 -18.615 446 HD23 LEU 56 HD23 LEU 56 14.469 -6.977 -19.464 447 H VAL 57 H VAL 57 13.395 -3.234 -14.636 448 HA VAL 57 HA VAL 57 13.964 -5.536 -13.149 449 HB VAL 57 HB VAL 57 12.972 -2.758 -12.150 450 HG11 VAL 57 HG11 VAL 57 14.503 -4.942 -10.680 451 HG12 VAL 57 HG12 VAL 57 14.223 -3.293 -10.047 452 HG13 VAL 57 HG13 VAL 57 12.836 -4.404 -10.326 453 HG21 VAL 57 HG21 VAL 57 15.767 -3.849 -12.619 454 HG22 VAL 57 HG22 VAL 57 14.994 -2.562 -13.539 455 HG23 VAL 57 HG23 VAL 57 15.414 -2.316 -11.843 456 H CYS 58 H CYS 58 10.820 -3.772 -13.506 457 HA CYS 58 HA CYS 58 9.604 -5.933 -11.826 458 HB2 CYS 58 HB2 CYS 58 8.585 -3.147 -12.525 459 HB3 CYS 58 HB3 CYS 58 7.753 -4.295 -11.471 460 HG CYS 58 HG CYS 58 10.534 -2.643 -11.023 461 H LYS 59 H LYS 59 9.990 -5.481 -15.060 462 HA LYS 59 HA LYS 59 7.384 -5.261 -16.160 463 HB2 LYS 59 HB2 LYS 59 9.527 -4.990 -17.317 464 HB3 LYS 59 HB3 LYS 59 9.754 -6.743 -17.305 465 HG2 LYS 59 HG2 LYS 59 7.835 -7.060 -18.745 466 HG3 LYS 59 HG3 LYS 59 7.485 -5.333 -18.664 467 HD2 LYS 59 HD2 LYS 59 8.600 -5.800 -20.736 468 HD3 LYS 59 HD3 LYS 59 9.725 -4.930 -19.712 469 HE2 LYS 59 HE2 LYS 59 10.852 -7.010 -19.149 470 HE3 LYS 59 HE3 LYS 59 9.754 -7.956 -20.172 471 HZ1 LYS 59 HZ1 LYS 59 10.610 -6.756 -22.121 472 HZ2 LYS 59 HZ2 LYS 59 11.865 -7.468 -21.305 473 HZ3 LYS 59 HZ3 LYS 59 11.610 -5.839 -21.188 474 H ASP 60 H ASP 60 8.951 -8.256 -15.080 475 HA ASP 60 HA ASP 60 6.532 -9.679 -15.990 476 HB2 ASP 60 HB2 ASP 60 9.270 -10.598 -15.073 477 HB3 ASP 60 HB3 ASP 60 7.922 -11.685 -15.523 478 H ALA 61 H ALA 61 7.148 -7.990 -13.310 479 HA ALA 61 HA ALA 61 6.932 -9.978 -11.255 480 HB1 ALA 61 HB1 ALA 61 6.586 -8.122 -9.752 481 HB2 ALA 61 HB2 ALA 61 6.055 -7.098 -11.105 482 HB3 ALA 61 HB3 ALA 61 7.765 -7.600 -10.997 483 H ILE 62 H ILE 62 5.320 -10.710 -9.990 484 HA ILE 62 HA ILE 62 2.558 -10.570 -11.023 485 HB ILE 62 HB ILE 62 3.813 -12.336 -8.877 486 HG12 ILE 62 HG12 ILE 62 2.974 -13.071 -11.714 487 HG13 ILE 62 HG13 ILE 62 4.633 -12.725 -11.236 488 HG21 ILE 62 HG21 ILE 62 1.413 -12.070 -8.458 489 HG22 ILE 62 HG22 ILE 62 1.705 -13.686 -9.085 490 HG23 ILE 62 HG23 ILE 62 1.005 -12.441 -10.143 491 HD11 ILE 62 HD11 ILE 62 4.505 -15.120 -11.230 492 HD12 ILE 62 HD12 ILE 62 2.936 -15.129 -10.351 493 HD13 ILE 62 HD13 ILE 62 4.449 -14.651 -9.505 494 H LEU 63 H LEU 63 1.074 -9.340 -9.950 495 HA LEU 63 HA LEU 63 1.956 -8.166 -7.385 496 HB2 LEU 63 HB2 LEU 63 1.449 -6.701 -9.271 497 HB3 LEU 63 HB3 LEU 63 -0.218 -7.350 -9.322 498 HG LEU 63 HG LEU 63 -0.045 -5.063 -8.449 499 HD11 LEU 63 HD11 LEU 63 -0.904 -6.570 -6.020 500 HD12 LEU 63 HD12 LEU 63 -1.789 -6.838 -7.535 501 HD13 LEU 63 HD13 LEU 63 -1.663 -5.228 -6.863 502 HD21 LEU 63 HD21 LEU 63 1.014 -4.535 -6.394 503 HD22 LEU 63 HD22 LEU 63 2.197 -5.348 -7.401 504 HD23 LEU 63 HD23 LEU 63 1.387 -6.259 -6.078 505 H ASP 64 H ASP 64 0.799 -8.460 -5.472 506 HA ASP 64 HA ASP 64 -1.890 -9.734 -5.606 507 HB2 ASP 64 HB2 ASP 64 -0.102 -11.546 -5.375 508 HB3 ASP 64 HB3 ASP 64 0.275 -10.812 -3.835 509 H ILE 65 H ILE 65 -3.232 -8.624 -4.287 510 HA ILE 65 HA ILE 65 -2.099 -6.702 -2.377 511 HB ILE 65 HB ILE 65 -4.954 -7.145 -3.285 512 HG12 ILE 65 HG12 ILE 65 -3.008 -4.917 -4.144 513 HG13 ILE 65 HG13 ILE 65 -3.326 -6.395 -5.077 514 HG21 ILE 65 HG21 ILE 65 -5.138 -4.654 -2.280 515 HG22 ILE 65 HG22 ILE 65 -3.666 -5.030 -1.437 516 HG23 ILE 65 HG23 ILE 65 -5.077 -6.005 -1.136 517 HD11 ILE 65 HD11 ILE 65 -4.662 -4.624 -6.042 518 HD12 ILE 65 HD12 ILE 65 -5.738 -5.767 -5.226 519 HD13 ILE 65 HD13 ILE 65 -5.361 -4.203 -4.428 520 H VAL 66 H VAL 66 -2.185 -6.830 -0.221 521 HA VAL 66 HA VAL 66 -3.945 -8.886 1.076 522 HB VAL 66 HB VAL 66 -1.345 -7.567 2.021 523 HG11 VAL 66 HG11 VAL 66 -2.809 -7.965 3.907 524 HG12 VAL 66 HG12 VAL 66 -1.481 -9.141 3.945 525 HG13 VAL 66 HG13 VAL 66 -3.072 -9.667 3.389 526 HG21 VAL 66 HG21 VAL 66 -0.894 -9.230 0.263 527 HG22 VAL 66 HG22 VAL 66 -1.890 -10.449 1.195 528 HG23 VAL 66 HG23 VAL 66 -0.388 -9.830 1.887 529 H ASP 67 H ASP 67 -5.497 -7.955 2.445 530 HA ASP 67 HA ASP 67 -5.829 -5.045 2.327 531 HB2 ASP 67 HB2 ASP 67 -7.328 -7.229 3.798 532 HB3 ASP 67 HB3 ASP 67 -7.863 -5.540 3.695 533 H GLU 68 H GLU 68 -5.681 -3.560 4.075 534 HA GLU 68 HA GLU 68 -4.573 -4.683 6.640 535 HB2 GLU 68 HB2 GLU 68 -3.802 -2.004 5.400 536 HB3 GLU 68 HB3 GLU 68 -3.360 -2.574 7.002 537 HG2 GLU 68 HG2 GLU 68 -2.205 -4.497 6.001 538 HG3 GLU 68 HG3 GLU 68 -2.533 -3.756 4.402 539 H LYS 69 H LYS 69 -5.347 -3.924 8.505 540 HA LYS 69 HA LYS 69 -7.909 -2.417 8.405 541 HB2 LYS 69 HB2 LYS 69 -6.403 -3.782 10.649 542 HB3 LYS 69 HB3 LYS 69 -7.893 -2.836 10.868 543 HG2 LYS 69 HG2 LYS 69 -8.579 -5.086 10.855 544 HG3 LYS 69 HG3 LYS 69 -9.092 -4.386 9.293 545 HD2 LYS 69 HD2 LYS 69 -8.299 -6.629 8.878 546 HD3 LYS 69 HD3 LYS 69 -7.020 -5.545 8.297 547 HE2 LYS 69 HE2 LYS 69 -5.755 -5.880 10.339 548 HE3 LYS 69 HE3 LYS 69 -7.014 -6.983 10.922 549 HZ1 LYS 69 HZ1 LYS 69 -5.298 -7.376 8.543 550 HZ2 LYS 69 HZ2 LYS 69 -6.501 -8.415 8.975 551 HZ3 LYS 69 HZ3 LYS 69 -5.191 -8.205 9.955 552 H VAL 70 H VAL 70 -8.345 -0.508 9.309 553 HA VAL 70 HA VAL 70 -6.053 1.261 9.391 554 HB VAL 70 HB VAL 70 -7.682 3.077 9.798 555 HG11 VAL 70 HG11 VAL 70 -8.656 3.024 7.704 556 HG12 VAL 70 HG12 VAL 70 -7.262 1.979 7.499 557 HG13 VAL 70 HG13 VAL 70 -8.900 1.259 7.700 558 HG21 VAL 70 HG21 VAL 70 -10.094 2.608 9.895 559 HG22 VAL 70 HG22 VAL 70 -9.794 0.812 9.935 560 HG23 VAL 70 HG23 VAL 70 -9.255 1.907 11.281 561 H GLU 71 H GLU 71 -5.623 2.821 10.936 562 HA GLU 71 HA GLU 71 -6.332 2.174 13.769 563 HB2 GLU 71 HB2 GLU 71 -3.930 1.495 13.292 564 HB3 GLU 71 HB3 GLU 71 -3.627 3.140 12.766 565 HG2 GLU 71 HG2 GLU 71 -4.253 3.965 15.061 566 HG3 GLU 71 HG3 GLU 71 -4.411 2.302 15.553 567 H LEU 72 H LEU 72 -6.822 4.079 14.886 568 HA LEU 72 HA LEU 72 -6.931 6.522 13.119 569 HB2 LEU 72 HB2 LEU 72 -8.907 5.546 15.193 570 HB3 LEU 72 HB3 LEU 72 -9.025 7.079 14.317 571 HG LEU 72 HG LEU 72 -9.155 4.299 13.053 572 HD11 LEU 72 HD11 LEU 72 -11.560 4.768 12.897 573 HD12 LEU 72 HD12 LEU 72 -11.345 6.368 13.608 574 HD13 LEU 72 HD13 LEU 72 -11.049 4.904 14.572 575 HD21 LEU 72 HD21 LEU 72 -9.975 5.522 11.065 576 HD22 LEU 72 HD22 LEU 72 -8.272 5.886 11.472 577 HD23 LEU 72 HD23 LEU 72 -9.537 7.077 11.832 578 H GLU 73 H GLU 73 -6.838 8.458 14.116 579 HA GLU 73 HA GLU 73 -6.073 8.663 16.997 580 HB2 GLU 73 HB2 GLU 73 -4.052 8.793 15.540 581 HB3 GLU 73 HB3 GLU 73 -4.814 10.082 14.602 582 HG2 GLU 73 HG2 GLU 73 -4.863 11.548 16.544 583 HG3 GLU 73 HG3 GLU 73 -3.955 10.352 17.490 584 H CYS 74 H CYS 74 -6.882 10.459 17.955 585 HA CYS 74 HA CYS 74 -8.935 11.940 16.354 586 HB2 CYS 74 HB2 CYS 74 -9.625 10.658 18.536 587 HB3 CYS 74 HB3 CYS 74 -8.476 11.646 19.367 588 H LYS 75 H LYS 75 -8.598 14.111 16.177 589 HA LYS 75 HA LYS 75 -5.967 15.241 16.472 590 HB2 LYS 75 HB2 LYS 75 -8.574 16.568 16.004 591 HB3 LYS 75 HB3 LYS 75 -6.966 17.318 15.902 592 HG2 LYS 75 HG2 LYS 75 -6.325 15.677 14.145 593 HG3 LYS 75 HG3 LYS 75 -7.990 15.048 14.126 594 HD2 LYS 75 HD2 LYS 75 -7.838 16.523 12.343 595 HD3 LYS 75 HD3 LYS 75 -8.766 17.380 13.576 596 HE2 LYS 75 HE2 LYS 75 -6.656 18.531 14.280 597 HE3 LYS 75 HE3 LYS 75 -5.788 17.702 12.953 598 HZ1 LYS 75 HZ1 LYS 75 -6.401 19.917 12.349 599 HZ2 LYS 75 HZ2 LYS 75 -8.014 19.634 12.612 600 HZ3 LYS 75 HZ3 LYS 75 -7.207 18.831 11.389 601 H ASP 76 H ASP 76 -5.308 16.815 18.156 602 HA ASP 76 HA ASP 76 -4.983 15.210 20.177 603 HB2 ASP 76 HB2 ASP 76 -5.030 18.158 20.508 604 HB3 ASP 76 HB3 ASP 76 -4.260 17.029 21.597 605 H CYS 77 H CYS 77 -6.312 14.113 20.753 606 HA CYS 77 HA CYS 77 -7.612 14.351 23.430 607 HB2 CYS 77 HB2 CYS 77 -9.466 14.548 21.750 608 HB3 CYS 77 HB3 CYS 77 -8.740 13.203 20.799 609 H SER 78 H SER 78 -6.169 12.627 24.364 610 HA SER 78 HA SER 78 -4.577 11.173 22.364 611 HB2 SER 78 HB2 SER 78 -4.564 11.253 25.418 612 HB3 SER 78 HB3 SER 78 -3.303 10.389 24.391 613 HG SER 78 HG SER 78 -3.966 13.164 24.193 614 H HIS 79 H HIS 79 -5.699 9.744 21.439 615 HA HIS 79 HA HIS 79 -6.556 7.540 23.050 616 HB2 HIS 79 HB2 HIS 79 -8.455 9.150 22.711 617 HB3 HIS 79 HB3 HIS 79 -8.552 8.411 21.061 618 HD1 HIS 79 HD1 HIS 79 -8.445 7.201 24.790 619 HD2 HIS 79 HD2 HIS 79 -9.914 6.017 21.072 620 HE1 HIS 79 HE1 HIS 79 -9.716 5.090 25.209 621 HE2 HIS 79 HE2 HIS 79 -10.565 4.294 22.886 622 H VAL 80 H VAL 80 -4.379 7.487 20.971 623 HA VAL 80 HA VAL 80 -5.650 6.526 18.607 624 HB VAL 80 HB VAL 80 -2.760 6.103 19.546 625 HG11 VAL 80 HG11 VAL 80 -3.959 6.106 16.720 626 HG12 VAL 80 HG12 VAL 80 -2.215 6.038 17.097 627 HG13 VAL 80 HG13 VAL 80 -3.256 4.703 17.564 628 HG21 VAL 80 HG21 VAL 80 -2.952 8.440 19.605 629 HG22 VAL 80 HG22 VAL 80 -2.512 8.182 17.919 630 HG23 VAL 80 HG23 VAL 80 -4.198 8.425 18.327 631 H PHE 81 H PHE 81 -6.269 4.738 17.854 632 HA PHE 81 HA PHE 81 -5.594 2.149 19.113 633 HB2 PHE 81 HB2 PHE 81 -7.882 1.807 19.963 634 HB3 PHE 81 HB3 PHE 81 -7.378 3.370 20.569 635 HD1 PHE 81 HD1 PHE 81 -10.058 1.685 19.174 636 HD2 PHE 81 HD2 PHE 81 -8.074 5.434 18.711 637 HE1 PHE 81 HE1 PHE 81 -12.180 2.703 18.374 638 HE2 PHE 81 HE2 PHE 81 -10.130 6.465 17.774 639 HZ PHE 81 HZ PHE 81 -12.229 5.063 17.606 640 H LYS 82 H LYS 82 -6.689 0.345 17.935 641 HA LYS 82 HA LYS 82 -7.513 1.004 15.127 642 HB2 LYS 82 HB2 LYS 82 -7.209 -1.645 16.607 643 HB3 LYS 82 HB3 LYS 82 -7.982 -1.478 15.059 644 HG2 LYS 82 HG2 LYS 82 -5.805 -2.213 14.586 645 HG3 LYS 82 HG3 LYS 82 -5.870 -0.526 14.102 646 HD2 LYS 82 HD2 LYS 82 -4.700 0.125 16.142 647 HD3 LYS 82 HD3 LYS 82 -4.598 -1.566 16.659 648 HE2 LYS 82 HE2 LYS 82 -3.393 -2.046 14.502 649 HE3 LYS 82 HE3 LYS 82 -3.460 -0.341 14.088 650 HZ1 LYS 82 HZ1 LYS 82 -1.339 -0.990 15.057 651 HZ2 LYS 82 HZ2 LYS 82 -2.097 -1.472 16.457 652 HZ3 LYS 82 HZ3 LYS 82 -2.117 0.139 16.036 653 HA PRO 83 HA PRO 83 -11.578 1.205 16.862 654 HB2 PRO 83 HB2 PRO 83 -13.193 1.363 14.692 655 HB3 PRO 83 HB3 PRO 83 -12.165 2.713 15.178 656 HG2 PRO 83 HG2 PRO 83 -11.580 0.603 13.112 657 HG3 PRO 83 HG3 PRO 83 -11.474 2.380 12.934 658 HD2 PRO 83 HD2 PRO 83 -9.287 0.878 13.496 659 HD3 PRO 83 HD3 PRO 83 -9.478 2.501 14.246 660 H ASN 84 H ASN 84 -13.316 -0.186 17.407 661 HA ASN 84 HA ASN 84 -12.928 -2.951 16.376 662 HB2 ASN 84 HB2 ASN 84 -14.418 -1.907 18.813 663 HB3 ASN 84 HB3 ASN 84 -14.221 -3.610 18.397 664 HD21 ASN 84 HD21 ASN 84 -11.796 -4.105 17.811 665 HD22 ASN 84 HD22 ASN 84 -10.674 -3.566 19.011 666 H ALA 85 H ALA 85 -14.823 -0.415 15.439 667 HA ALA 85 HA ALA 85 -17.102 -2.129 14.629 668 HB1 ALA 85 HB1 ALA 85 -18.750 -0.592 15.462 669 HB2 ALA 85 HB2 ALA 85 -17.477 0.538 15.983 670 HB3 ALA 85 HB3 ALA 85 -17.677 -1.026 16.817 671 H LEU 86 H LEU 86 -18.523 -0.836 13.187 672 HA LEU 86 HA LEU 86 -16.786 0.434 11.181 673 HB2 LEU 86 HB2 LEU 86 -19.666 -0.459 11.076 674 HB3 LEU 86 HB3 LEU 86 -18.699 0.099 9.703 675 HG LEU 86 HG LEU 86 -18.189 -2.438 11.305 676 HD11 LEU 86 HD11 LEU 86 -20.266 -2.515 10.002 677 HD12 LEU 86 HD12 LEU 86 -19.008 -3.539 9.242 678 HD13 LEU 86 HD13 LEU 86 -19.388 -1.945 8.554 679 HD21 LEU 86 HD21 LEU 86 -16.083 -1.727 10.377 680 HD22 LEU 86 HD22 LEU 86 -16.846 -1.271 8.844 681 HD23 LEU 86 HD23 LEU 86 -16.720 -2.974 9.287 682 H ASP 87 H ASP 87 -17.841 1.631 13.684 683 HA ASP 87 HA ASP 87 -19.674 3.790 12.858 684 HB2 ASP 87 HB2 ASP 87 -19.542 4.487 15.121 685 HB3 ASP 87 HB3 ASP 87 -19.764 2.709 15.093 686 H TYR 88 H TYR 88 -17.487 3.654 11.295 687 HA TYR 88 HA TYR 88 -15.169 5.025 12.005 688 HB2 TYR 88 HB2 TYR 88 -16.581 4.752 9.346 689 HB3 TYR 88 HB3 TYR 88 -14.921 5.305 9.528 690 HD1 TYR 88 HD1 TYR 88 -15.726 2.989 7.776 691 HD2 TYR 88 HD2 TYR 88 -14.483 3.025 11.938 692 HE1 TYR 88 HE1 TYR 88 -14.820 0.684 7.561 693 HE2 TYR 88 HE2 TYR 88 -13.535 0.799 11.668 694 HH TYR 88 HH TYR 88 -13.699 -1.109 8.676 695 H GLY 89 H GLY 89 -14.336 7.045 11.692 696 HA2 GLY 89 HA2 GLY 89 -14.338 9.246 10.982 697 HA3 GLY 89 HA3 GLY 89 -16.123 9.218 10.822 698 H VAL 90 H VAL 90 -15.429 7.861 13.865 699 HA VAL 90 HA VAL 90 -15.032 10.517 15.128 700 HB VAL 90 HB VAL 90 -16.769 10.004 16.866 701 HG11 VAL 90 HG11 VAL 90 -18.735 10.446 15.527 702 HG12 VAL 90 HG12 VAL 90 -17.392 11.349 14.870 703 HG13 VAL 90 HG13 VAL 90 -17.942 9.897 14.051 704 HG21 VAL 90 HG21 VAL 90 -17.521 7.594 15.170 705 HG22 VAL 90 HG22 VAL 90 -16.681 7.547 16.718 706 HG23 VAL 90 HG23 VAL 90 -18.337 8.174 16.633 707 H CYS 91 H CYS 91 -14.310 10.471 17.306 708 HA CYS 91 HA CYS 91 -12.374 8.417 17.964 709 HB2 CYS 91 HB2 CYS 91 -12.092 10.828 18.520 710 HB3 CYS 91 HB3 CYS 91 -13.506 10.706 19.584 711 H GLU 92 H GLU 92 -12.583 7.177 20.180 712 HA GLU 92 HA GLU 92 -15.480 6.667 20.669 713 HB2 GLU 92 HB2 GLU 92 -14.989 4.519 21.613 714 HB3 GLU 92 HB3 GLU 92 -14.214 4.617 20.024 715 HG2 GLU 92 HG2 GLU 92 -12.061 5.202 21.130 716 HG3 GLU 92 HG3 GLU 92 -12.813 5.065 22.706 717 H LYS 93 H LYS 93 -12.684 8.090 21.998 718 HA LYS 93 HA LYS 93 -13.337 7.787 24.832 719 HB2 LYS 93 HB2 LYS 93 -11.076 8.284 23.837 720 HB3 LYS 93 HB3 LYS 93 -11.643 9.854 23.366 721 HG2 LYS 93 HG2 LYS 93 -10.412 10.097 25.340 722 HG3 LYS 93 HG3 LYS 93 -12.067 10.337 25.772 723 HD2 LYS 93 HD2 LYS 93 -12.154 8.013 26.578 724 HD3 LYS 93 HD3 LYS 93 -10.455 7.829 26.182 725 HE2 LYS 93 HE2 LYS 93 -9.894 9.663 27.708 726 HE3 LYS 93 HE3 LYS 93 -11.596 9.812 28.159 727 HZ1 LYS 93 HZ1 LYS 93 -11.538 7.607 29.051 728 HZ2 LYS 93 HZ2 LYS 93 -10.238 8.421 29.698 729 HZ3 LYS 93 HZ3 LYS 93 -10.021 7.301 28.483 730 H CYS 94 H CYS 94 -13.886 10.021 22.250 731 HA CYS 94 HA CYS 94 -16.029 11.504 23.617 732 HB2 CYS 94 HB2 CYS 94 -15.284 13.597 22.655 733 HB3 CYS 94 HB3 CYS 94 -13.919 12.976 23.580 734 H HIS 95 H HIS 95 -17.385 12.227 21.502 735 HA HIS 95 HA HIS 95 -16.731 10.231 19.393 736 HB2 HIS 95 HB2 HIS 95 -19.498 10.942 20.282 737 HB3 HIS 95 HB3 HIS 95 -19.013 9.852 18.948 738 HD1 HIS 95 HD1 HIS 95 -19.465 9.960 22.700 739 HD2 HIS 95 HD2 HIS 95 -17.803 7.442 19.793 740 HE1 HIS 95 HE1 HIS 95 -19.138 7.711 23.823 741 HE2 HIS 95 HE2 HIS 95 -18.091 6.184 22.069 742 H SER 96 H SER 96 -15.734 12.702 19.606 743 HA SER 96 HA SER 96 -17.283 14.595 18.038 744 HB2 SER 96 HB2 SER 96 -15.640 15.290 19.783 745 HB3 SER 96 HB3 SER 96 -14.325 14.471 18.876 746 HG SER 96 HG SER 96 -14.531 15.978 17.247 747 H LYS 97 H LYS 97 -16.839 15.143 15.945 748 HA LYS 97 HA LYS 97 -15.621 13.228 14.128 749 HB2 LYS 97 HB2 LYS 97 -16.920 15.929 13.662 750 HB3 LYS 97 HB3 LYS 97 -16.326 14.836 12.431 751 HG2 LYS 97 HG2 LYS 97 -17.943 13.109 13.234 752 HG3 LYS 97 HG3 LYS 97 -18.555 14.261 14.381 753 HD2 LYS 97 HD2 LYS 97 -20.066 14.267 12.551 754 HD3 LYS 97 HD3 LYS 97 -19.168 15.787 12.478 755 HE2 LYS 97 HE2 LYS 97 -17.637 14.764 10.771 756 HE3 LYS 97 HE3 LYS 97 -18.570 13.262 10.897 757 HZ1 LYS 97 HZ1 LYS 97 -19.654 15.848 9.990 758 HZ2 LYS 97 HZ2 LYS 97 -20.498 14.459 10.135 759 HZ3 LYS 97 HZ3 LYS 97 -19.302 14.578 9.028 760 H ASN 98 H ASN 98 -13.954 14.202 12.616 761 HA ASN 98 HA ASN 98 -11.989 15.354 12.164 762 HB2 ASN 98 HB2 ASN 98 -12.087 16.713 14.874 763 HB3 ASN 98 HB3 ASN 98 -10.905 16.981 13.583 764 HD21 ASN 98 HD21 ASN 98 -13.335 18.496 14.974 765 HD22 ASN 98 HD22 ASN 98 -14.011 19.329 13.592 766 H VAL 99 H VAL 99 -11.946 12.927 12.589 767 HA VAL 99 HA VAL 99 -9.595 12.496 14.356 768 HB VAL 99 HB VAL 99 -10.206 10.052 14.365 769 HG11 VAL 99 HG11 VAL 99 -12.694 11.534 15.325 770 HG12 VAL 99 HG12 VAL 99 -11.772 10.209 16.031 771 HG13 VAL 99 HG13 VAL 99 -11.097 11.861 16.069 772 HG21 VAL 99 HG21 VAL 99 -12.396 9.355 13.584 773 HG22 VAL 99 HG22 VAL 99 -12.717 10.978 12.917 774 HG23 VAL 99 HG23 VAL 99 -11.421 9.961 12.272 775 H ILE 100 H ILE 100 -8.103 10.957 13.266 776 HA ILE 100 HA ILE 100 -8.204 11.149 10.281 777 HB ILE 100 HB ILE 100 -5.781 11.651 10.233 778 HG12 ILE 100 HG12 ILE 100 -5.936 11.990 13.250 779 HG13 ILE 100 HG13 ILE 100 -5.326 10.534 12.445 780 HG21 ILE 100 HG21 ILE 100 -5.867 13.959 10.860 781 HG22 ILE 100 HG22 ILE 100 -7.529 13.564 10.369 782 HG23 ILE 100 HG23 ILE 100 -7.089 13.664 12.106 783 HD11 ILE 100 HD11 ILE 100 -3.544 11.901 11.346 784 HD12 ILE 100 HD12 ILE 100 -3.462 11.908 13.114 785 HD13 ILE 100 HD13 ILE 100 -4.151 13.326 12.250 786 H ILE 101 H ILE 101 -6.695 9.671 9.249 787 HA ILE 101 HA ILE 101 -6.692 7.070 10.659 788 HB ILE 101 HB ILE 101 -6.261 7.744 7.671 789 HG12 ILE 101 HG12 ILE 101 -8.776 6.540 8.937 790 HG13 ILE 101 HG13 ILE 101 -8.568 8.246 8.543 791 HG21 ILE 101 HG21 ILE 101 -5.203 5.652 8.369 792 HG22 ILE 101 HG22 ILE 101 -6.756 5.093 9.073 793 HG23 ILE 101 HG23 ILE 101 -6.578 5.329 7.299 794 HD11 ILE 101 HD11 ILE 101 -8.027 7.581 6.160 795 HD12 ILE 101 HD12 ILE 101 -9.709 7.270 6.681 796 HD13 ILE 101 HD13 ILE 101 -8.550 5.921 6.597 797 H THR 102 H THR 102 -4.796 6.316 11.394 798 HA THR 102 HA THR 102 -2.327 7.760 10.561 799 HB THR 102 HB THR 102 -1.283 6.707 12.522 800 HG1 THR 102 HG1 THR 102 -2.362 5.227 13.679 801 HG21 THR 102 HG21 THR 102 -3.981 7.905 13.202 802 HG22 THR 102 HG22 THR 102 -2.515 8.873 12.797 803 HG23 THR 102 HG23 THR 102 -2.525 7.830 14.264 804 H GLN 103 H GLN 103 -3.771 4.614 10.576 805 HA GLN 103 HA GLN 103 -1.667 3.678 8.705 806 HB2 GLN 103 HB2 GLN 103 -2.824 2.019 10.968 807 HB3 GLN 103 HB3 GLN 103 -1.781 1.405 9.714 808 HG2 GLN 103 HG2 GLN 103 -0.016 2.955 10.438 809 HG3 GLN 103 HG3 GLN 103 -1.043 3.456 11.812 810 HE21 GLN 103 HE21 GLN 103 -0.579 2.405 13.616 811 HE22 GLN 103 HE22 GLN 103 0.153 0.816 13.725 812 H GLY 104 H GLY 104 -2.490 2.124 7.103 813 HA2 GLY 104 HA2 GLY 104 -4.192 0.964 6.035 814 HA3 GLY 104 HA3 GLY 104 -5.299 1.465 7.292 815 H ASN 105 H ASN 105 -3.495 4.047 5.900 816 HA ASN 105 HA ASN 105 -5.933 4.912 4.426 817 HB2 ASN 105 HB2 ASN 105 -4.830 6.451 6.110 818 HB3 ASN 105 HB3 ASN 105 -3.421 6.482 5.054 819 HD21 ASN 105 HD21 ASN 105 -3.390 8.479 4.146 820 HD22 ASN 105 HD22 ASN 105 -4.740 9.224 3.357 821 H GLU 106 H GLU 106 -2.646 3.844 3.896 822 HA GLU 106 HA GLU 106 -3.030 4.230 0.976 823 HB2 GLU 106 HB2 GLU 106 -0.941 5.397 0.708 824 HB3 GLU 106 HB3 GLU 106 -1.906 6.328 1.830 825 HG2 GLU 106 HG2 GLU 106 -0.573 5.407 3.691 826 HG3 GLU 106 HG3 GLU 106 0.416 4.519 2.510 827 H MET 107 H MET 107 -1.131 3.342 -0.210 828 HA MET 107 HA MET 107 -0.896 0.574 0.398 829 HB2 MET 107 HB2 MET 107 -0.943 1.703 -1.845 830 HB3 MET 107 HB3 MET 107 0.670 2.356 -1.532 831 HG2 MET 107 HG2 MET 107 1.557 0.032 -1.441 832 HG3 MET 107 HG3 MET 107 -0.036 -0.570 -1.875 833 HE1 MET 107 HE1 MET 107 2.146 2.675 -2.943 834 HE2 MET 107 HE2 MET 107 2.820 2.117 -4.457 835 HE3 MET 107 HE3 MET 107 3.294 1.339 -2.939 836 H ARG 108 H ARG 108 0.757 -0.745 1.021 837 HA ARG 108 HA ARG 108 3.426 0.433 1.584 838 HB2 ARG 108 HB2 ARG 108 1.933 -1.657 3.238 839 HB3 ARG 108 HB3 ARG 108 3.621 -1.125 3.514 840 HG2 ARG 108 HG2 ARG 108 2.850 1.065 4.123 841 HG3 ARG 108 HG3 ARG 108 1.195 0.558 3.800 842 HD2 ARG 108 HD2 ARG 108 1.476 -1.268 5.428 843 HD3 ARG 108 HD3 ARG 108 3.112 -0.672 5.815 844 HE ARG 108 HE ARG 108 0.530 0.426 6.685 845 HH11 ARG 108 HH11 ARG 108 4.033 1.118 6.377 846 HH12 ARG 108 HH12 ARG 108 3.929 2.427 7.525 847 HH21 ARG 108 HH21 ARG 108 0.579 1.968 8.244 848 HH22 ARG 108 HH22 ARG 108 2.056 2.851 8.612 849 H LEU 109 H LEU 109 5.231 -1.137 1.362 850 HA LEU 109 HA LEU 109 4.523 -3.512 -0.319 851 HB2 LEU 109 HB2 LEU 109 7.177 -2.244 0.448 852 HB3 LEU 109 HB3 LEU 109 7.050 -3.820 -0.332 853 HG LEU 109 HG LEU 109 6.035 -1.317 -1.643 854 HD11 LEU 109 HD11 LEU 109 8.641 -2.787 -1.975 855 HD12 LEU 109 HD12 LEU 109 8.415 -1.157 -1.334 856 HD13 LEU 109 HD13 LEU 109 8.044 -1.496 -3.037 857 HD21 LEU 109 HD21 LEU 109 6.151 -2.833 -3.614 858 HD22 LEU 109 HD22 LEU 109 6.565 -4.164 -2.498 859 HD23 LEU 109 HD23 LEU 109 4.994 -3.348 -2.378 860 H LEU 110 H LEU 110 4.390 -5.525 0.582 861 HA LEU 110 HA LEU 110 5.224 -5.629 3.439 862 HB2 LEU 110 HB2 LEU 110 3.412 -7.483 1.827 863 HB3 LEU 110 HB3 LEU 110 3.768 -7.627 3.569 864 HG LEU 110 HG LEU 110 2.373 -5.239 2.292 865 HD11 LEU 110 HD11 LEU 110 1.334 -7.580 3.950 866 HD12 LEU 110 HD12 LEU 110 1.003 -7.293 2.235 867 HD13 LEU 110 HD13 LEU 110 0.388 -6.180 3.427 868 HD21 LEU 110 HD21 LEU 110 3.533 -4.577 4.333 869 HD22 LEU 110 HD22 LEU 110 2.873 -5.938 5.230 870 HD23 LEU 110 HD23 LEU 110 1.798 -4.635 4.645 871 H SER 111 H SER 111 5.616 -7.395 0.375 872 HA SER 111 HA SER 111 8.231 -8.409 1.253 873 HB2 SER 111 HB2 SER 111 6.690 -10.087 2.300 874 HB3 SER 111 HB3 SER 111 5.959 -10.381 0.714 875 HG SER 111 HG SER 111 7.435 -11.932 1.005 876 H LEU 112 H LEU 112 9.423 -9.160 -0.470 877 HA LEU 112 HA LEU 112 8.142 -9.019 -3.164 878 HB2 LEU 112 HB2 LEU 112 10.881 -7.937 -2.445 879 HB3 LEU 112 HB3 LEU 112 10.220 -8.049 -4.076 880 HG LEU 112 HG LEU 112 8.545 -6.301 -3.542 881 HD11 LEU 112 HD11 LEU 112 9.992 -6.194 -0.844 882 HD12 LEU 112 HD12 LEU 112 8.257 -6.250 -1.160 883 HD13 LEU 112 HD13 LEU 112 9.175 -4.805 -1.516 884 HD21 LEU 112 HD21 LEU 112 10.762 -5.889 -4.552 885 HD22 LEU 112 HD22 LEU 112 11.445 -5.504 -2.933 886 HD23 LEU 112 HD23 LEU 112 10.160 -4.469 -3.614 887 H GLU 113 H GLU 113 8.854 -10.553 -4.692 888 HA GLU 113 HA GLU 113 10.831 -12.593 -3.617 889 HB2 GLU 113 HB2 GLU 113 8.551 -13.409 -4.471 890 HB3 GLU 113 HB3 GLU 113 9.041 -12.770 -6.042 891 HG2 GLU 113 HG2 GLU 113 9.482 -15.006 -6.179 892 HG3 GLU 113 HG3 GLU 113 11.065 -14.251 -5.969 893 H MET 114 H MET 114 12.952 -12.313 -4.454 894 HA MET 114 HA MET 114 13.129 -10.571 -6.877 895 HB2 MET 114 HB2 MET 114 14.628 -10.333 -4.224 896 HB3 MET 114 HB3 MET 114 14.870 -9.285 -5.616 897 HG2 MET 114 HG2 MET 114 12.501 -8.498 -5.388 898 HG3 MET 114 HG3 MET 114 12.341 -9.579 -3.970 899 HE1 MET 114 HE1 MET 114 14.829 -5.754 -4.052 900 HE2 MET 114 HE2 MET 114 14.842 -7.012 -5.312 901 HE3 MET 114 HE3 MET 114 13.396 -6.022 -5.079 902 H LEU 115 H LEU 115 14.861 -10.788 -8.153 903 HA LEU 115 HA LEU 115 16.404 -13.316 -7.812 904 HB2 LEU 115 HB2 LEU 115 16.000 -11.502 -10.230 905 HB3 LEU 115 HB3 LEU 115 16.959 -13.007 -10.221 906 HG LEU 115 HG LEU 115 13.941 -12.796 -9.625 907 HD11 LEU 115 HD11 LEU 115 13.724 -13.827 -11.883 908 HD12 LEU 115 HD12 LEU 115 15.451 -13.676 -12.132 909 HD13 LEU 115 HD13 LEU 115 14.440 -12.254 -11.959 910 HD21 LEU 115 HD21 LEU 115 14.912 -14.763 -8.568 911 HD22 LEU 115 HD22 LEU 115 15.715 -15.207 -10.084 912 HD23 LEU 115 HD23 LEU 115 13.957 -15.217 -9.992 913 H ALA 116 H ALA 116 18.309 -13.081 -6.925 914 HA ALA 116 HA ALA 116 19.628 -10.602 -6.540 915 HB1 ALA 116 HB1 ALA 116 21.452 -12.017 -5.664 916 HB2 ALA 116 HB2 ALA 116 20.620 -13.464 -6.301 917 HB3 ALA 116 HB3 ALA 116 19.876 -12.492 -4.993 918 H GLU 117 H GLU 117 21.647 -9.955 -7.167 919 HA GLU 117 HA GLU 117 22.130 -9.929 -9.946 920 HB2 GLU 117 HB2 GLU 117 24.061 -8.666 -9.403 921 HB3 GLU 117 HB3 GLU 117 22.735 -8.131 -8.347 922 HG2 GLU 117 HG2 GLU 117 23.760 -9.538 -6.487 923 HG3 GLU 117 HG3 GLU 117 25.119 -9.949 -7.621 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -3.068 7.360 -3.647 2 H2 MET 1 H2 MET 1 -3.086 8.524 -2.504 3 H3 MET 1 H3 MET 1 -2.877 8.929 -4.069 4 HA MET 1 HA MET 1 -5.324 7.841 -2.848 5 HB2 MET 1 HB2 MET 1 -4.700 10.521 -4.093 6 HB3 MET 1 HB3 MET 1 -6.330 9.966 -3.620 7 HG2 MET 1 HG2 MET 1 -5.537 9.768 -1.261 8 HG3 MET 1 HG3 MET 1 -3.941 10.305 -1.795 9 HE1 MET 1 HE1 MET 1 -7.686 12.888 -1.230 10 HE2 MET 1 HE2 MET 1 -7.481 11.167 -0.792 11 HE3 MET 1 HE3 MET 1 -7.725 11.658 -2.491 12 H HIS 2 H HIS 2 -3.908 9.188 -5.970 13 HA HIS 2 HA HIS 2 -6.152 7.964 -7.461 14 HB2 HIS 2 HB2 HIS 2 -3.633 9.413 -8.265 15 HB3 HIS 2 HB3 HIS 2 -4.883 8.941 -9.418 16 HD1 HIS 2 HD1 HIS 2 -7.350 10.078 -8.999 17 HD2 HIS 2 HD2 HIS 2 -4.038 11.826 -7.116 18 HE1 HIS 2 HE1 HIS 2 -8.101 12.367 -8.172 19 HE2 HIS 2 HE2 HIS 2 -6.059 13.494 -7.211 20 H GLU 3 H GLU 3 -5.886 5.946 -8.772 21 HA GLU 3 HA GLU 3 -3.898 4.246 -7.562 22 HB2 GLU 3 HB2 GLU 3 -5.419 3.777 -10.138 23 HB3 GLU 3 HB3 GLU 3 -4.561 2.540 -9.226 24 HG2 GLU 3 HG2 GLU 3 -6.847 2.267 -8.611 25 HG3 GLU 3 HG3 GLU 3 -6.157 3.112 -7.275 26 H TYR 4 H TYR 4 -4.035 5.814 -10.781 27 HA TYR 4 HA TYR 4 -1.666 4.447 -11.738 28 HB2 TYR 4 HB2 TYR 4 -2.993 7.002 -12.678 29 HB3 TYR 4 HB3 TYR 4 -1.581 6.233 -13.439 30 HD1 TYR 4 HD1 TYR 4 -1.701 4.240 -14.755 31 HD2 TYR 4 HD2 TYR 4 -5.253 5.694 -12.810 32 HE1 TYR 4 HE1 TYR 4 -3.075 2.676 -16.042 33 HE2 TYR 4 HE2 TYR 4 -6.597 4.154 -14.091 34 HH TYR 4 HH TYR 4 -5.193 2.115 -16.668 35 H SER 5 H SER 5 -2.112 7.441 -9.841 36 HA SER 5 HA SER 5 0.616 8.271 -10.268 37 HB2 SER 5 HB2 SER 5 -1.178 9.831 -9.558 38 HB3 SER 5 HB3 SER 5 -1.327 8.935 -8.043 39 HG SER 5 HG SER 5 0.516 9.668 -7.335 40 H VAL 6 H VAL 6 -1.026 6.167 -7.948 41 HA VAL 6 HA VAL 6 1.247 6.057 -6.154 42 HB VAL 6 HB VAL 6 -1.147 4.281 -6.363 43 HG11 VAL 6 HG11 VAL 6 0.485 2.982 -5.271 44 HG12 VAL 6 HG12 VAL 6 1.135 4.393 -4.413 45 HG13 VAL 6 HG13 VAL 6 -0.438 3.723 -3.945 46 HG21 VAL 6 HG21 VAL 6 -2.052 5.563 -4.555 47 HG22 VAL 6 HG22 VAL 6 -1.522 6.703 -5.749 48 HG23 VAL 6 HG23 VAL 6 -0.528 6.443 -4.333 49 H VAL 7 H VAL 7 -0.085 4.059 -8.823 50 HA VAL 7 HA VAL 7 1.934 2.025 -8.479 51 HB VAL 7 HB VAL 7 0.331 2.764 -10.950 52 HG11 VAL 7 HG11 VAL 7 0.969 0.560 -11.739 53 HG12 VAL 7 HG12 VAL 7 2.389 1.561 -11.473 54 HG13 VAL 7 HG13 VAL 7 1.984 0.308 -10.289 55 HG21 VAL 7 HG21 VAL 7 -0.015 0.683 -8.781 56 HG22 VAL 7 HG22 VAL 7 -0.907 0.669 -10.292 57 HG23 VAL 7 HG23 VAL 7 -1.132 1.989 -9.144 58 H SER 8 H SER 8 1.820 5.127 -10.338 59 HA SER 8 HA SER 8 4.297 4.615 -11.711 60 HB2 SER 8 HB2 SER 8 2.795 6.537 -12.261 61 HB3 SER 8 HB3 SER 8 3.158 7.307 -10.752 62 HG SER 8 HG SER 8 5.006 6.607 -12.823 63 H SER 9 H SER 9 3.658 5.954 -8.406 64 HA SER 9 HA SER 9 6.526 6.314 -8.028 65 HB2 SER 9 HB2 SER 9 5.977 6.791 -5.652 66 HB3 SER 9 HB3 SER 9 4.871 7.664 -6.694 67 HG SER 9 HG SER 9 3.507 5.593 -6.344 68 H LEU 10 H LEU 10 4.273 3.663 -7.630 69 HA LEU 10 HA LEU 10 5.765 2.109 -5.798 70 HB2 LEU 10 HB2 LEU 10 3.387 1.655 -6.407 71 HB3 LEU 10 HB3 LEU 10 3.933 1.214 -8.074 72 HG LEU 10 HG LEU 10 5.060 -0.698 -7.267 73 HD11 LEU 10 HD11 LEU 10 3.952 -0.256 -4.504 74 HD12 LEU 10 HD12 LEU 10 5.643 0.110 -4.953 75 HD13 LEU 10 HD13 LEU 10 5.052 -1.545 -5.061 76 HD21 LEU 10 HD21 LEU 10 2.676 -0.833 -7.889 77 HD22 LEU 10 HD22 LEU 10 3.109 -2.041 -6.638 78 HD23 LEU 10 HD23 LEU 10 2.247 -0.552 -6.189 79 H ILE 11 H ILE 11 5.893 2.265 -9.370 80 HA ILE 11 HA ILE 11 7.613 -0.025 -9.528 81 HB ILE 11 HB ILE 11 7.476 2.401 -11.384 82 HG12 ILE 11 HG12 ILE 11 5.294 1.288 -11.216 83 HG13 ILE 11 HG13 ILE 11 6.038 1.050 -12.791 84 HG21 ILE 11 HG21 ILE 11 8.412 0.766 -13.149 85 HG22 ILE 11 HG22 ILE 11 9.567 1.214 -11.848 86 HG23 ILE 11 HG23 ILE 11 8.741 -0.355 -11.799 87 HD11 ILE 11 HD11 ILE 11 4.899 -1.019 -12.034 88 HD12 ILE 11 HD12 ILE 11 5.927 -1.017 -10.543 89 HD13 ILE 11 HD13 ILE 11 6.653 -1.291 -12.144 90 H ALA 12 H ALA 12 8.302 3.506 -9.094 91 HA ALA 12 HA ALA 12 11.142 3.098 -9.247 92 HB1 ALA 12 HB1 ALA 12 10.156 5.305 -9.570 93 HB2 ALA 12 HB2 ALA 12 11.284 5.322 -8.215 94 HB3 ALA 12 HB3 ALA 12 9.524 5.276 -7.893 95 H LEU 13 H LEU 13 8.774 3.015 -6.649 96 HA LEU 13 HA LEU 13 10.583 2.919 -4.485 97 HB2 LEU 13 HB2 LEU 13 8.154 3.373 -4.336 98 HB3 LEU 13 HB3 LEU 13 7.833 1.642 -4.654 99 HG LEU 13 HG LEU 13 9.011 1.086 -2.542 100 HD11 LEU 13 HD11 LEU 13 9.220 4.086 -2.286 101 HD12 LEU 13 HD12 LEU 13 10.560 2.890 -2.217 102 HD13 LEU 13 HD13 LEU 13 9.372 2.963 -0.897 103 HD21 LEU 13 HD21 LEU 13 6.584 1.360 -2.654 104 HD22 LEU 13 HD22 LEU 13 7.215 1.953 -1.070 105 HD23 LEU 13 HD23 LEU 13 6.761 3.110 -2.349 106 H CYS 14 H CYS 14 9.155 0.433 -6.585 107 HA CYS 14 HA CYS 14 10.273 -1.812 -5.141 108 HB2 CYS 14 HB2 CYS 14 9.432 -1.451 -8.073 109 HB3 CYS 14 HB3 CYS 14 9.856 -3.003 -7.329 110 HG CYS 14 HG CYS 14 7.457 -0.932 -6.494 111 H GLU 15 H GLU 15 11.385 0.260 -7.891 112 HA GLU 15 HA GLU 15 13.771 -1.266 -8.349 113 HB2 GLU 15 HB2 GLU 15 13.131 1.596 -8.857 114 HB3 GLU 15 HB3 GLU 15 14.576 0.821 -9.474 115 HG2 GLU 15 HG2 GLU 15 13.203 -0.777 -10.755 116 HG3 GLU 15 HG3 GLU 15 11.762 0.041 -10.221 117 H GLU 16 H GLU 16 13.138 1.428 -6.042 118 HA GLU 16 HA GLU 16 15.942 1.562 -5.436 119 HB2 GLU 16 HB2 GLU 16 15.533 2.981 -3.577 120 HB3 GLU 16 HB3 GLU 16 14.424 3.462 -4.869 121 HG2 GLU 16 HG2 GLU 16 12.607 2.228 -3.665 122 HG3 GLU 16 HG3 GLU 16 13.782 1.807 -2.376 123 H HIS 17 H HIS 17 13.244 -0.380 -4.219 124 HA HIS 17 HA HIS 17 14.731 -1.466 -1.983 125 HB2 HIS 17 HB2 HIS 17 12.293 -2.474 -3.535 126 HB3 HIS 17 HB3 HIS 17 13.076 -3.365 -2.214 127 HD1 HIS 17 HD1 HIS 17 13.179 -2.213 0.218 128 HD2 HIS 17 HD2 HIS 17 10.456 -0.593 -2.540 129 HE1 HIS 17 HE1 HIS 17 11.497 -0.863 1.525 130 HE2 HIS 17 HE2 HIS 17 9.863 0.120 -0.120 131 H ALA 18 H ALA 18 14.460 -2.215 -5.470 132 HA ALA 18 HA ALA 18 15.859 -4.693 -5.271 133 HB1 ALA 18 HB1 ALA 18 16.080 -4.574 -7.627 134 HB2 ALA 18 HB2 ALA 18 16.114 -2.787 -7.614 135 HB3 ALA 18 HB3 ALA 18 14.573 -3.656 -7.302 136 H LYS 19 H LYS 19 16.987 -1.308 -5.449 137 HA LYS 19 HA LYS 19 19.771 -2.007 -5.612 138 HB2 LYS 19 HB2 LYS 19 18.367 0.446 -4.446 139 HB3 LYS 19 HB3 LYS 19 20.111 0.361 -4.726 140 HG2 LYS 19 HG2 LYS 19 19.617 0.117 -7.125 141 HG3 LYS 19 HG3 LYS 19 17.859 0.211 -6.807 142 HD2 LYS 19 HD2 LYS 19 18.127 2.386 -5.731 143 HD3 LYS 19 HD3 LYS 19 19.850 2.382 -6.177 144 HE2 LYS 19 HE2 LYS 19 19.226 2.242 -8.571 145 HE3 LYS 19 HE3 LYS 19 17.498 2.171 -8.070 146 HZ1 LYS 19 HZ1 LYS 19 17.811 4.413 -7.113 147 HZ2 LYS 19 HZ2 LYS 19 18.123 4.392 -8.740 148 HZ3 LYS 19 HZ3 LYS 19 19.363 4.417 -7.675 149 H LYS 20 H LYS 20 17.499 -1.556 -2.915 150 HA LYS 20 HA LYS 20 19.531 -1.612 -0.872 151 HB2 LYS 20 HB2 LYS 20 16.578 -2.198 -0.756 152 HB3 LYS 20 HB3 LYS 20 17.609 -2.048 0.684 153 HG2 LYS 20 HG2 LYS 20 18.129 0.264 0.121 154 HG3 LYS 20 HG3 LYS 20 17.079 0.172 -1.253 155 HD2 LYS 20 HD2 LYS 20 15.162 -0.395 0.240 156 HD3 LYS 20 HD3 LYS 20 16.266 -0.206 1.635 157 HE2 LYS 20 HE2 LYS 20 16.736 2.126 0.894 158 HE3 LYS 20 HE3 LYS 20 15.548 1.952 -0.415 159 HZ1 LYS 20 HZ1 LYS 20 14.759 3.008 1.706 160 HZ2 LYS 20 HZ2 LYS 20 14.741 1.496 2.355 161 HZ3 LYS 20 HZ3 LYS 20 13.774 1.854 1.058 162 H ASN 21 H ASN 21 17.797 -4.118 -2.627 163 HA ASN 21 HA ASN 21 18.768 -6.094 -0.709 164 HB2 ASN 21 HB2 ASN 21 16.330 -5.899 -1.524 165 HB3 ASN 21 HB3 ASN 21 16.917 -6.655 -3.021 166 HD21 ASN 21 HD21 ASN 21 18.289 -8.772 -2.316 167 HD22 ASN 21 HD22 ASN 21 17.473 -9.811 -1.158 168 H GLN 22 H GLN 22 19.947 -4.550 -3.210 169 HA GLN 22 HA GLN 22 21.499 -4.967 -4.888 170 HB2 GLN 22 HB2 GLN 22 22.206 -7.294 -3.054 171 HB3 GLN 22 HB3 GLN 22 23.145 -6.690 -4.418 172 HG2 GLN 22 HG2 GLN 22 23.320 -4.521 -3.377 173 HG3 GLN 22 HG3 GLN 22 22.431 -5.078 -1.951 174 HE21 GLN 22 HE21 GLN 22 25.479 -4.513 -3.130 175 HE22 GLN 22 HE22 GLN 22 26.388 -5.586 -2.098 176 H ALA 23 H ALA 23 18.958 -5.723 -5.523 177 HA ALA 23 HA ALA 23 19.302 -8.353 -6.926 178 HB1 ALA 23 HB1 ALA 23 16.710 -8.330 -6.783 179 HB2 ALA 23 HB2 ALA 23 16.871 -7.042 -5.578 180 HB3 ALA 23 HB3 ALA 23 17.597 -8.651 -5.289 181 H HIS 24 H HIS 24 18.622 -8.560 -9.024 182 HA HIS 24 HA HIS 24 18.496 -5.938 -10.402 183 HB2 HIS 24 HB2 HIS 24 19.192 -7.144 -12.397 184 HB3 HIS 24 HB3 HIS 24 20.169 -7.608 -11.043 185 HD1 HIS 24 HD1 HIS 24 18.077 -8.921 -13.791 186 HD2 HIS 24 HD2 HIS 24 19.314 -10.324 -10.024 187 HE1 HIS 24 HE1 HIS 24 17.602 -11.393 -13.736 188 HE2 HIS 24 HE2 HIS 24 18.456 -12.280 -11.515 189 H LYS 25 H LYS 25 16.347 -8.577 -9.582 190 HA LYS 25 HA LYS 25 14.298 -7.443 -11.368 191 HB2 LYS 25 HB2 LYS 25 15.720 -9.049 -12.633 192 HB3 LYS 25 HB3 LYS 25 15.199 -10.384 -11.593 193 HG2 LYS 25 HG2 LYS 25 13.264 -8.738 -13.235 194 HG3 LYS 25 HG3 LYS 25 14.114 -10.133 -13.897 195 HD2 LYS 25 HD2 LYS 25 13.055 -11.542 -12.114 196 HD3 LYS 25 HD3 LYS 25 12.200 -10.116 -11.506 197 HE2 LYS 25 HE2 LYS 25 10.669 -11.313 -12.902 198 HE3 LYS 25 HE3 LYS 25 11.087 -9.807 -13.692 199 HZ1 LYS 25 HZ1 LYS 25 12.682 -11.130 -15.046 200 HZ2 LYS 25 HZ2 LYS 25 11.141 -11.607 -15.275 201 HZ3 LYS 25 HZ3 LYS 25 12.172 -12.508 -14.342 202 H ILE 26 H ILE 26 12.285 -7.670 -10.482 203 HA ILE 26 HA ILE 26 12.030 -9.179 -7.874 204 HB ILE 26 HB ILE 26 10.323 -6.901 -9.038 205 HG12 ILE 26 HG12 ILE 26 12.390 -6.898 -6.741 206 HG13 ILE 26 HG13 ILE 26 12.758 -6.325 -8.353 207 HG21 ILE 26 HG21 ILE 26 9.411 -6.847 -6.641 208 HG22 ILE 26 HG22 ILE 26 9.039 -8.378 -7.474 209 HG23 ILE 26 HG23 ILE 26 10.319 -8.304 -6.289 210 HD11 ILE 26 HD11 ILE 26 12.294 -4.448 -6.968 211 HD12 ILE 26 HD12 ILE 26 10.999 -4.625 -8.168 212 HD13 ILE 26 HD13 ILE 26 10.735 -5.129 -6.470 213 H GLU 27 H GLU 27 10.863 -11.060 -7.946 214 HA GLU 27 HA GLU 27 9.274 -11.663 -10.375 215 HB2 GLU 27 HB2 GLU 27 10.022 -13.285 -7.953 216 HB3 GLU 27 HB3 GLU 27 8.961 -13.863 -9.280 217 HG2 GLU 27 HG2 GLU 27 11.717 -12.877 -9.722 218 HG3 GLU 27 HG3 GLU 27 11.289 -14.593 -9.487 219 H ARG 28 H ARG 28 8.684 -10.924 -6.967 220 HA ARG 28 HA ARG 28 5.790 -10.913 -7.596 221 HB2 ARG 28 HB2 ARG 28 6.436 -13.177 -6.655 222 HB3 ARG 28 HB3 ARG 28 6.928 -12.352 -5.155 223 HG2 ARG 28 HG2 ARG 28 4.638 -11.533 -4.854 224 HG3 ARG 28 HG3 ARG 28 4.121 -12.429 -6.298 225 HD2 ARG 28 HD2 ARG 28 5.363 -13.653 -3.828 226 HD3 ARG 28 HD3 ARG 28 3.663 -13.724 -4.184 227 HE ARG 28 HE ARG 28 5.857 -15.287 -5.353 228 HH11 ARG 28 HH11 ARG 28 2.431 -14.436 -5.624 229 HH12 ARG 28 HH12 ARG 28 2.102 -15.747 -6.714 230 HH21 ARG 28 HH21 ARG 28 5.332 -16.939 -6.734 231 HH22 ARG 28 HH22 ARG 28 3.678 -17.164 -7.222 232 H VAL 29 H VAL 29 4.728 -9.267 -6.488 233 HA VAL 29 HA VAL 29 6.180 -7.958 -4.176 234 HB VAL 29 HB VAL 29 4.530 -6.578 -6.381 235 HG11 VAL 29 HG11 VAL 29 5.092 -4.470 -5.127 236 HG12 VAL 29 HG12 VAL 29 4.140 -5.526 -4.163 237 HG13 VAL 29 HG13 VAL 29 5.857 -5.440 -3.891 238 HG21 VAL 29 HG21 VAL 29 7.469 -6.463 -5.641 239 HG22 VAL 29 HG22 VAL 29 6.671 -5.347 -6.790 240 HG23 VAL 29 HG23 VAL 29 6.741 -7.090 -7.155 241 H VAL 30 H VAL 30 4.883 -8.182 -2.367 242 HA VAL 30 HA VAL 30 1.968 -8.453 -2.956 243 HB VAL 30 HB VAL 30 1.586 -9.650 -0.891 244 HG11 VAL 30 HG11 VAL 30 2.340 -10.829 -3.120 245 HG12 VAL 30 HG12 VAL 30 2.368 -11.783 -1.654 246 HG13 VAL 30 HG13 VAL 30 3.901 -11.128 -2.281 247 HG21 VAL 30 HG21 VAL 30 3.382 -10.489 0.534 248 HG22 VAL 30 HG22 VAL 30 3.553 -8.692 0.368 249 HG23 VAL 30 HG23 VAL 30 4.598 -9.794 -0.552 250 H VAL 31 H VAL 31 0.661 -6.944 -2.143 251 HA VAL 31 HA VAL 31 2.022 -4.831 -0.478 252 HB VAL 31 HB VAL 31 0.643 -3.131 -1.595 253 HG11 VAL 31 HG11 VAL 31 2.950 -3.918 -2.452 254 HG12 VAL 31 HG12 VAL 31 1.986 -2.934 -3.542 255 HG13 VAL 31 HG13 VAL 31 2.058 -4.669 -3.798 256 HG21 VAL 31 HG21 VAL 31 -0.583 -3.648 -3.676 257 HG22 VAL 31 HG22 VAL 31 -1.239 -4.629 -2.346 258 HG23 VAL 31 HG23 VAL 31 -0.134 -5.358 -3.552 259 H GLY 32 H GLY 32 0.650 -3.531 0.815 260 HA2 GLY 32 HA2 GLY 32 -1.830 -4.982 1.615 261 HA3 GLY 32 HA3 GLY 32 -0.848 -3.987 2.695 262 H ILE 33 H ILE 33 -3.664 -3.925 0.882 263 HA ILE 33 HA ILE 33 -3.408 -0.961 0.496 264 HB ILE 33 HB ILE 33 -5.189 -2.863 -1.117 265 HG12 ILE 33 HG12 ILE 33 -2.759 -1.168 -1.970 266 HG13 ILE 33 HG13 ILE 33 -2.729 -2.899 -1.712 267 HG21 ILE 33 HG21 ILE 33 -6.250 -0.668 -0.669 268 HG22 ILE 33 HG22 ILE 33 -5.821 -0.805 -2.364 269 HG23 ILE 33 HG23 ILE 33 -4.806 0.204 -1.272 270 HD11 ILE 33 HD11 ILE 33 -4.103 -1.390 -3.945 271 HD12 ILE 33 HD12 ILE 33 -4.511 -3.077 -3.553 272 HD13 ILE 33 HD13 ILE 33 -2.864 -2.673 -4.022 273 H GLY 34 H GLY 34 -4.742 0.153 1.754 274 HA2 GLY 34 HA2 GLY 34 -6.159 -1.175 3.795 275 HA3 GLY 34 HA3 GLY 34 -6.209 0.552 3.418 276 H GLU 35 H GLU 35 -8.322 -1.264 4.239 277 HA GLU 35 HA GLU 35 -10.156 -1.786 2.112 278 HB2 GLU 35 HB2 GLU 35 -11.699 -2.176 3.906 279 HB3 GLU 35 HB3 GLU 35 -10.138 -2.827 4.354 280 HG2 GLU 35 HG2 GLU 35 -9.709 -0.832 5.732 281 HG3 GLU 35 HG3 GLU 35 -11.274 -0.238 5.331 282 H ARG 36 H ARG 36 -9.365 1.231 3.855 283 HA ARG 36 HA ARG 36 -11.639 2.533 2.442 284 HB2 ARG 36 HB2 ARG 36 -10.272 3.352 5.008 285 HB3 ARG 36 HB3 ARG 36 -11.443 4.312 4.117 286 HG2 ARG 36 HG2 ARG 36 -13.145 2.665 4.313 287 HG3 ARG 36 HG3 ARG 36 -12.102 1.634 5.271 288 HD2 ARG 36 HD2 ARG 36 -11.957 3.302 7.000 289 HD3 ARG 36 HD3 ARG 36 -12.990 4.418 6.073 290 HE ARG 36 HE ARG 36 -13.783 1.982 7.528 291 HH11 ARG 36 HH11 ARG 36 -14.836 4.440 5.168 292 HH12 ARG 36 HH12 ARG 36 -16.481 3.931 5.289 293 HH21 ARG 36 HH21 ARG 36 -15.908 1.448 7.540 294 HH22 ARG 36 HH22 ARG 36 -17.102 2.370 6.663 295 H SER 37 H SER 37 -8.929 1.939 1.368 296 HA SER 37 HA SER 37 -7.612 4.471 1.332 297 HB2 SER 37 HB2 SER 37 -6.171 3.546 -0.406 298 HB3 SER 37 HB3 SER 37 -6.329 2.445 0.995 299 HG SER 37 HG SER 37 -7.746 1.165 -0.206 300 H ALA 38 H ALA 38 -7.611 5.967 -0.630 301 HA ALA 38 HA ALA 38 -10.284 6.195 -1.785 302 HB1 ALA 38 HB1 ALA 38 -9.358 8.119 -2.978 303 HB2 ALA 38 HB2 ALA 38 -7.694 7.586 -2.643 304 HB3 ALA 38 HB3 ALA 38 -8.748 8.161 -1.312 305 H MET 39 H MET 39 -7.632 4.328 -2.440 306 HA MET 39 HA MET 39 -7.647 4.340 -5.292 307 HB2 MET 39 HB2 MET 39 -6.487 2.444 -3.203 308 HB3 MET 39 HB3 MET 39 -6.060 2.386 -4.958 309 HG2 MET 39 HG2 MET 39 -5.123 4.675 -4.782 310 HG3 MET 39 HG3 MET 39 -5.574 4.763 -3.061 311 HE1 MET 39 HE1 MET 39 -3.936 1.739 -5.104 312 HE2 MET 39 HE2 MET 39 -2.225 2.042 -4.662 313 HE3 MET 39 HE3 MET 39 -3.112 3.229 -5.620 314 H ASP 40 H ASP 40 -8.719 2.984 -6.731 315 HA ASP 40 HA ASP 40 -10.546 0.883 -5.631 316 HB2 ASP 40 HB2 ASP 40 -9.841 1.903 -8.435 317 HB3 ASP 40 HB3 ASP 40 -10.757 0.423 -8.158 318 H LYS 41 H LYS 41 -10.006 -1.326 -5.595 319 HA LYS 41 HA LYS 41 -7.241 -2.085 -5.965 320 HB2 LYS 41 HB2 LYS 41 -9.758 -3.718 -5.702 321 HB3 LYS 41 HB3 LYS 41 -8.131 -4.359 -5.714 322 HG2 LYS 41 HG2 LYS 41 -7.589 -3.143 -3.636 323 HG3 LYS 41 HG3 LYS 41 -9.149 -2.381 -3.662 324 HD2 LYS 41 HD2 LYS 41 -9.258 -4.198 -2.114 325 HD3 LYS 41 HD3 LYS 41 -10.185 -4.664 -3.523 326 HE2 LYS 41 HE2 LYS 41 -8.226 -5.965 -4.322 327 HE3 LYS 41 HE3 LYS 41 -7.347 -5.459 -2.882 328 HZ1 LYS 41 HZ1 LYS 41 -9.076 -6.563 -1.551 329 HZ2 LYS 41 HZ2 LYS 41 -8.249 -7.632 -2.494 330 HZ3 LYS 41 HZ3 LYS 41 -9.773 -7.144 -2.957 331 H SER 42 H SER 42 -10.152 -2.351 -7.992 332 HA SER 42 HA SER 42 -8.773 -4.128 -9.779 333 HB2 SER 42 HB2 SER 42 -11.249 -2.454 -10.231 334 HB3 SER 42 HB3 SER 42 -10.730 -3.789 -11.278 335 HG SER 42 HG SER 42 -11.838 -5.004 -9.919 336 H LEU 43 H LEU 43 -9.165 -0.588 -9.719 337 HA LEU 43 HA LEU 43 -7.883 -0.327 -12.338 338 HB2 LEU 43 HB2 LEU 43 -8.275 1.681 -10.118 339 HB3 LEU 43 HB3 LEU 43 -7.557 2.053 -11.668 340 HG LEU 43 HG LEU 43 -10.413 1.052 -11.316 341 HD11 LEU 43 HD11 LEU 43 -11.030 3.406 -11.854 342 HD12 LEU 43 HD12 LEU 43 -9.318 3.835 -11.795 343 HD13 LEU 43 HD13 LEU 43 -10.100 3.275 -10.323 344 HD21 LEU 43 HD21 LEU 43 -10.550 1.830 -13.737 345 HD22 LEU 43 HD22 LEU 43 -8.829 2.137 -13.690 346 HD23 LEU 43 HD23 LEU 43 -9.417 0.504 -13.457 347 H PHE 44 H PHE 44 -6.869 -0.682 -8.986 348 HA PHE 44 HA PHE 44 -4.195 0.298 -9.380 349 HB2 PHE 44 HB2 PHE 44 -5.202 -0.074 -7.167 350 HB3 PHE 44 HB3 PHE 44 -5.230 -1.824 -7.486 351 HD1 PHE 44 HD1 PHE 44 -2.892 1.042 -7.098 352 HD2 PHE 44 HD2 PHE 44 -3.396 -3.231 -7.031 353 HE1 PHE 44 HE1 PHE 44 -0.610 0.776 -6.225 354 HE2 PHE 44 HE2 PHE 44 -1.127 -3.475 -6.121 355 HZ PHE 44 HZ PHE 44 0.301 -1.510 -5.744 356 H VAL 45 H VAL 45 -5.611 -3.017 -9.633 357 HA VAL 45 HA VAL 45 -2.985 -4.053 -10.300 358 HB VAL 45 HB VAL 45 -4.045 -6.141 -10.883 359 HG11 VAL 45 HG11 VAL 45 -5.351 -4.941 -8.405 360 HG12 VAL 45 HG12 VAL 45 -3.656 -5.494 -8.517 361 HG13 VAL 45 HG13 VAL 45 -4.975 -6.683 -8.743 362 HG21 VAL 45 HG21 VAL 45 -6.148 -5.248 -12.007 363 HG22 VAL 45 HG22 VAL 45 -6.510 -6.462 -10.748 364 HG23 VAL 45 HG23 VAL 45 -6.737 -4.713 -10.420 365 H SER 46 H SER 46 -5.612 -2.481 -12.130 366 HA SER 46 HA SER 46 -4.677 -3.487 -14.702 367 HB2 SER 46 HB2 SER 46 -6.335 -1.020 -14.001 368 HB3 SER 46 HB3 SER 46 -6.094 -1.691 -15.641 369 HG SER 46 HG SER 46 -7.323 -2.998 -13.423 370 H ALA 47 H ALA 47 -4.082 -0.615 -12.667 371 HA ALA 47 HA ALA 47 -2.429 0.764 -14.547 372 HB1 ALA 47 HB1 ALA 47 -1.760 2.029 -12.478 373 HB2 ALA 47 HB2 ALA 47 -3.515 1.912 -12.702 374 HB3 ALA 47 HB3 ALA 47 -2.709 0.847 -11.514 375 H PHE 48 H PHE 48 -1.840 -1.687 -12.072 376 HA PHE 48 HA PHE 48 0.998 -1.347 -11.979 377 HB2 PHE 48 HB2 PHE 48 -0.305 -2.550 -10.258 378 HB3 PHE 48 HB3 PHE 48 -0.615 -3.849 -11.431 379 HD1 PHE 48 HD1 PHE 48 1.255 -5.495 -12.005 380 HD2 PHE 48 HD2 PHE 48 1.863 -2.093 -9.403 381 HE1 PHE 48 HE1 PHE 48 3.410 -6.431 -11.357 382 HE2 PHE 48 HE2 PHE 48 4.069 -3.078 -8.662 383 HZ PHE 48 HZ PHE 48 4.793 -5.256 -9.615 384 H GLU 49 H GLU 49 -1.155 -3.285 -14.030 385 HA GLU 49 HA GLU 49 1.002 -4.656 -15.354 386 HB2 GLU 49 HB2 GLU 49 -1.807 -4.122 -16.266 387 HB3 GLU 49 HB3 GLU 49 -0.661 -5.159 -17.092 388 HG2 GLU 49 HG2 GLU 49 -0.516 -6.619 -15.172 389 HG3 GLU 49 HG3 GLU 49 -1.667 -5.602 -14.315 390 H THR 50 H THR 50 -0.608 -1.606 -15.818 391 HA THR 50 HA THR 50 0.439 -1.120 -18.415 392 HB THR 50 HB THR 50 -0.494 0.917 -16.367 393 HG1 THR 50 HG1 THR 50 -2.131 -0.539 -16.681 394 HG21 THR 50 HG21 THR 50 -1.216 2.155 -18.492 395 HG22 THR 50 HG22 THR 50 -0.238 1.006 -19.433 396 HG23 THR 50 HG23 THR 50 0.520 2.095 -18.232 397 H PHE 51 H PHE 51 1.558 -0.038 -15.200 398 HA PHE 51 HA PHE 51 3.867 1.365 -16.377 399 HB2 PHE 51 HB2 PHE 51 3.053 0.860 -13.515 400 HB3 PHE 51 HB3 PHE 51 4.515 1.664 -13.983 401 HD1 PHE 51 HD1 PHE 51 0.890 2.126 -13.676 402 HD2 PHE 51 HD2 PHE 51 4.535 3.798 -15.211 403 HE1 PHE 51 HE1 PHE 51 -0.129 4.337 -13.686 404 HE2 PHE 51 HE2 PHE 51 3.453 6.057 -15.277 405 HZ PHE 51 HZ PHE 51 1.087 6.332 -14.500 406 H ARG 52 H ARG 52 3.422 -1.930 -15.098 407 HA ARG 52 HA ARG 52 6.147 -2.167 -14.198 408 HB2 ARG 52 HB2 ARG 52 5.759 -4.530 -14.065 409 HB3 ARG 52 HB3 ARG 52 4.322 -3.680 -13.478 410 HG2 ARG 52 HG2 ARG 52 3.262 -4.125 -15.617 411 HG3 ARG 52 HG3 ARG 52 4.732 -4.974 -16.146 412 HD2 ARG 52 HD2 ARG 52 4.499 -6.549 -14.249 413 HD3 ARG 52 HD3 ARG 52 3.085 -5.674 -13.711 414 HE ARG 52 HE ARG 52 2.609 -6.454 -16.394 415 HH11 ARG 52 HH11 ARG 52 1.339 -8.172 -16.912 416 HH12 ARG 52 HH12 ARG 52 1.084 -9.483 -15.762 417 HH21 ARG 52 HH21 ARG 52 3.213 -8.201 -13.335 418 HH22 ARG 52 HH22 ARG 52 2.120 -9.494 -13.785 419 H GLU 53 H GLU 53 4.756 -2.203 -17.348 420 HA GLU 53 HA GLU 53 6.809 -3.692 -18.687 421 HB2 GLU 53 HB2 GLU 53 4.910 -1.520 -19.619 422 HB3 GLU 53 HB3 GLU 53 5.883 -2.560 -20.682 423 HG2 GLU 53 HG2 GLU 53 3.668 -3.476 -18.854 424 HG3 GLU 53 HG3 GLU 53 3.593 -3.320 -20.595 425 H GLU 54 H GLU 54 6.573 -0.385 -17.530 426 HA GLU 54 HA GLU 54 8.563 0.792 -19.198 427 HB2 GLU 54 HB2 GLU 54 7.720 1.497 -16.392 428 HB3 GLU 54 HB3 GLU 54 8.660 2.525 -17.436 429 HG2 GLU 54 HG2 GLU 54 5.895 1.522 -18.120 430 HG3 GLU 54 HG3 GLU 54 6.185 3.052 -17.316 431 H SER 55 H SER 55 8.900 -1.422 -16.475 432 HA SER 55 HA SER 55 11.822 -0.939 -16.618 433 HB2 SER 55 HB2 SER 55 10.962 0.225 -14.619 434 HB3 SER 55 HB3 SER 55 10.188 -1.287 -14.078 435 HG SER 55 HG SER 55 12.616 -0.481 -13.489 436 H LEU 56 H LEU 56 13.028 -2.739 -16.813 437 HA LEU 56 HA LEU 56 11.847 -5.306 -17.114 438 HB2 LEU 56 HB2 LEU 56 13.953 -4.513 -18.081 439 HB3 LEU 56 HB3 LEU 56 14.684 -4.578 -16.473 440 HG LEU 56 HG LEU 56 15.361 -6.369 -17.979 441 HD11 LEU 56 HD11 LEU 56 15.372 -8.138 -16.543 442 HD12 LEU 56 HD12 LEU 56 13.854 -7.689 -15.781 443 HD13 LEU 56 HD13 LEU 56 15.319 -6.722 -15.470 444 HD21 LEU 56 HD21 LEU 56 13.325 -6.591 -19.237 445 HD22 LEU 56 HD22 LEU 56 13.941 -8.138 -18.662 446 HD23 LEU 56 HD23 LEU 56 12.536 -7.366 -17.881 447 H VAL 57 H VAL 57 13.225 -3.615 -14.369 448 HA VAL 57 HA VAL 57 13.676 -5.762 -12.600 449 HB VAL 57 HB VAL 57 12.802 -2.960 -11.968 450 HG11 VAL 57 HG11 VAL 57 14.182 -5.032 -10.174 451 HG12 VAL 57 HG12 VAL 57 13.757 -3.334 -9.737 452 HG13 VAL 57 HG13 VAL 57 12.474 -4.506 -10.054 453 HG21 VAL 57 HG21 VAL 57 15.181 -2.531 -11.597 454 HG22 VAL 57 HG22 VAL 57 15.549 -4.184 -12.241 455 HG23 VAL 57 HG23 VAL 57 14.802 -2.940 -13.288 456 H CYS 58 H CYS 58 10.640 -4.005 -13.372 457 HA CYS 58 HA CYS 58 9.188 -5.714 -11.404 458 HB2 CYS 58 HB2 CYS 58 8.418 -3.097 -12.721 459 HB3 CYS 58 HB3 CYS 58 7.469 -4.001 -11.533 460 HG CYS 58 HG CYS 58 10.479 -2.652 -11.283 461 H LYS 59 H LYS 59 9.646 -5.610 -14.751 462 HA LYS 59 HA LYS 59 7.050 -5.612 -15.779 463 HB2 LYS 59 HB2 LYS 59 9.190 -5.280 -16.972 464 HB3 LYS 59 HB3 LYS 59 9.452 -7.015 -16.965 465 HG2 LYS 59 HG2 LYS 59 7.489 -7.269 -18.439 466 HG3 LYS 59 HG3 LYS 59 7.108 -5.564 -18.188 467 HD2 LYS 59 HD2 LYS 59 8.215 -5.773 -20.332 468 HD3 LYS 59 HD3 LYS 59 9.367 -5.003 -19.220 469 HE2 LYS 59 HE2 LYS 59 10.579 -6.575 -20.571 470 HE3 LYS 59 HE3 LYS 59 10.469 -7.218 -18.941 471 HZ1 LYS 59 HZ1 LYS 59 8.724 -8.016 -21.195 472 HZ2 LYS 59 HZ2 LYS 59 8.762 -8.687 -19.699 473 HZ3 LYS 59 HZ3 LYS 59 10.043 -8.849 -20.684 474 H ASP 60 H ASP 60 8.863 -8.511 -14.571 475 HA ASP 60 HA ASP 60 6.396 -10.092 -15.225 476 HB2 ASP 60 HB2 ASP 60 9.147 -10.933 -14.401 477 HB3 ASP 60 HB3 ASP 60 7.847 -12.081 -14.619 478 H ALA 61 H ALA 61 7.192 -8.129 -12.785 479 HA ALA 61 HA ALA 61 7.123 -9.835 -10.513 480 HB1 ALA 61 HB1 ALA 61 6.197 -6.956 -10.759 481 HB2 ALA 61 HB2 ALA 61 7.855 -7.489 -10.361 482 HB3 ALA 61 HB3 ALA 61 6.512 -7.832 -9.251 483 H ILE 62 H ILE 62 5.457 -10.756 -9.454 484 HA ILE 62 HA ILE 62 2.763 -10.615 -10.673 485 HB ILE 62 HB ILE 62 3.878 -12.422 -8.454 486 HG12 ILE 62 HG12 ILE 62 3.285 -13.122 -11.333 487 HG13 ILE 62 HG13 ILE 62 4.887 -12.741 -10.742 488 HG21 ILE 62 HG21 ILE 62 1.243 -12.613 -9.999 489 HG22 ILE 62 HG22 ILE 62 1.790 -13.744 -8.746 490 HG23 ILE 62 HG23 ILE 62 1.388 -12.042 -8.323 491 HD11 ILE 62 HD11 ILE 62 3.160 -15.127 -10.004 492 HD12 ILE 62 HD12 ILE 62 4.615 -14.675 -9.071 493 HD13 ILE 62 HD13 ILE 62 4.745 -15.120 -10.791 494 H LEU 63 H LEU 63 1.249 -9.316 -9.784 495 HA LEU 63 HA LEU 63 1.875 -8.050 -7.149 496 HB2 LEU 63 HB2 LEU 63 1.400 -6.731 -9.185 497 HB3 LEU 63 HB3 LEU 63 -0.215 -7.424 -9.258 498 HG LEU 63 HG LEU 63 -0.190 -5.074 -8.497 499 HD11 LEU 63 HD11 LEU 63 -1.838 -6.850 -7.637 500 HD12 LEU 63 HD12 LEU 63 -1.797 -5.266 -6.881 501 HD13 LEU 63 HD13 LEU 63 -1.004 -6.642 -6.059 502 HD21 LEU 63 HD21 LEU 63 1.225 -6.065 -5.999 503 HD22 LEU 63 HD22 LEU 63 1.996 -5.140 -7.313 504 HD23 LEU 63 HD23 LEU 63 0.695 -4.421 -6.349 505 H ASP 64 H ASP 64 0.781 -8.560 -5.322 506 HA ASP 64 HA ASP 64 -1.833 -10.011 -5.570 507 HB2 ASP 64 HB2 ASP 64 0.113 -11.602 -5.203 508 HB3 ASP 64 HB3 ASP 64 0.430 -10.700 -3.693 509 H ILE 65 H ILE 65 -3.300 -8.913 -4.359 510 HA ILE 65 HA ILE 65 -2.250 -6.831 -2.503 511 HB ILE 65 HB ILE 65 -5.117 -7.416 -3.394 512 HG12 ILE 65 HG12 ILE 65 -3.262 -5.208 -4.334 513 HG13 ILE 65 HG13 ILE 65 -3.462 -6.674 -5.265 514 HG21 ILE 65 HG21 ILE 65 -5.193 -6.197 -1.322 515 HG22 ILE 65 HG22 ILE 65 -5.424 -4.973 -2.525 516 HG23 ILE 65 HG23 ILE 65 -3.804 -5.171 -1.792 517 HD11 ILE 65 HD11 ILE 65 -5.895 -6.110 -5.557 518 HD12 ILE 65 HD12 ILE 65 -4.810 -4.845 -6.208 519 HD13 ILE 65 HD13 ILE 65 -5.621 -4.587 -4.653 520 H VAL 66 H VAL 66 -2.294 -6.955 -0.390 521 HA VAL 66 HA VAL 66 -3.959 -9.037 0.903 522 HB VAL 66 HB VAL 66 -1.561 -7.574 1.984 523 HG11 VAL 66 HG11 VAL 66 -1.719 -8.983 3.974 524 HG12 VAL 66 HG12 VAL 66 -3.180 -9.760 3.307 525 HG13 VAL 66 HG13 VAL 66 -3.209 -8.033 3.720 526 HG21 VAL 66 HG21 VAL 66 -0.882 -9.201 0.330 527 HG22 VAL 66 HG22 VAL 66 -1.939 -10.448 1.037 528 HG23 VAL 66 HG23 VAL 66 -0.520 -9.891 1.943 529 H ASP 67 H ASP 67 -5.778 -8.275 1.861 530 HA ASP 67 HA ASP 67 -6.351 -5.497 1.774 531 HB2 ASP 67 HB2 ASP 67 -7.705 -7.897 2.908 532 HB3 ASP 67 HB3 ASP 67 -8.454 -6.295 2.920 533 H GLU 68 H GLU 68 -6.242 -3.963 3.532 534 HA GLU 68 HA GLU 68 -5.685 -5.217 6.223 535 HB2 GLU 68 HB2 GLU 68 -4.251 -2.825 4.979 536 HB3 GLU 68 HB3 GLU 68 -4.142 -3.301 6.685 537 HG2 GLU 68 HG2 GLU 68 -3.263 -5.520 5.918 538 HG3 GLU 68 HG3 GLU 68 -3.237 -4.897 4.260 539 H LYS 69 H LYS 69 -6.461 -4.248 7.960 540 HA LYS 69 HA LYS 69 -8.728 -2.319 7.553 541 HB2 LYS 69 HB2 LYS 69 -7.757 -3.987 9.862 542 HB3 LYS 69 HB3 LYS 69 -8.946 -2.712 10.068 543 HG2 LYS 69 HG2 LYS 69 -10.185 -4.682 9.818 544 HG3 LYS 69 HG3 LYS 69 -10.427 -3.786 8.340 545 HD2 LYS 69 HD2 LYS 69 -8.810 -5.337 7.211 546 HD3 LYS 69 HD3 LYS 69 -8.557 -6.181 8.748 547 HE2 LYS 69 HE2 LYS 69 -10.099 -7.484 7.362 548 HE3 LYS 69 HE3 LYS 69 -10.985 -6.779 8.723 549 HZ1 LYS 69 HZ1 LYS 69 -10.987 -5.797 5.929 550 HZ2 LYS 69 HZ2 LYS 69 -11.661 -4.957 7.126 551 HZ3 LYS 69 HZ3 LYS 69 -12.252 -6.409 6.742 552 H VAL 70 H VAL 70 -8.835 -0.404 8.440 553 HA VAL 70 HA VAL 70 -6.565 1.216 8.577 554 HB VAL 70 HB VAL 70 -8.084 3.051 9.093 555 HG11 VAL 70 HG11 VAL 70 -9.384 2.972 7.072 556 HG12 VAL 70 HG12 VAL 70 -9.400 1.221 7.083 557 HG13 VAL 70 HG13 VAL 70 -7.882 2.061 6.737 558 HG21 VAL 70 HG21 VAL 70 -10.464 2.742 9.499 559 HG22 VAL 70 HG22 VAL 70 -9.541 1.777 10.660 560 HG23 VAL 70 HG23 VAL 70 -10.277 0.964 9.261 561 H GLU 71 H GLU 71 -5.838 2.633 10.106 562 HA GLU 71 HA GLU 71 -6.385 1.968 12.985 563 HB2 GLU 71 HB2 GLU 71 -4.059 1.240 12.358 564 HB3 GLU 71 HB3 GLU 71 -3.744 2.914 11.839 565 HG2 GLU 71 HG2 GLU 71 -4.143 3.706 14.171 566 HG3 GLU 71 HG3 GLU 71 -4.424 2.040 14.631 567 H LEU 72 H LEU 72 -6.600 3.947 14.254 568 HA LEU 72 HA LEU 72 -6.873 6.415 12.574 569 HB2 LEU 72 HB2 LEU 72 -8.612 5.481 14.907 570 HB3 LEU 72 HB3 LEU 72 -8.794 7.024 14.047 571 HG LEU 72 HG LEU 72 -9.168 4.266 12.757 572 HD11 LEU 72 HD11 LEU 72 -11.217 6.386 13.764 573 HD12 LEU 72 HD12 LEU 72 -11.604 4.824 12.929 574 HD13 LEU 72 HD13 LEU 72 -10.858 4.786 14.536 575 HD21 LEU 72 HD21 LEU 72 -9.837 7.114 11.774 576 HD22 LEU 72 HD22 LEU 72 -10.158 5.576 10.895 577 HD23 LEU 72 HD23 LEU 72 -8.486 6.069 11.190 578 H GLU 73 H GLU 73 -6.408 8.314 13.439 579 HA GLU 73 HA GLU 73 -5.240 8.505 16.185 580 HB2 GLU 73 HB2 GLU 73 -3.431 8.644 14.454 581 HB3 GLU 73 HB3 GLU 73 -4.316 9.851 13.589 582 HG2 GLU 73 HG2 GLU 73 -4.063 11.415 15.529 583 HG3 GLU 73 HG3 GLU 73 -3.107 10.172 16.311 584 H CYS 74 H CYS 74 -5.944 10.245 17.269 585 HA CYS 74 HA CYS 74 -8.169 11.743 16.025 586 HB2 CYS 74 HB2 CYS 74 -8.502 10.339 18.107 587 HB3 CYS 74 HB3 CYS 74 -7.322 11.354 18.918 588 H LYS 75 H LYS 75 -8.028 13.921 15.956 589 HA LYS 75 HA LYS 75 -5.530 15.299 15.883 590 HB2 LYS 75 HB2 LYS 75 -8.350 16.358 16.149 591 HB3 LYS 75 HB3 LYS 75 -6.936 17.367 15.897 592 HG2 LYS 75 HG2 LYS 75 -6.505 16.070 13.774 593 HG3 LYS 75 HG3 LYS 75 -7.932 15.129 14.046 594 HD2 LYS 75 HD2 LYS 75 -8.487 16.683 12.406 595 HD3 LYS 75 HD3 LYS 75 -9.323 17.194 13.857 596 HE2 LYS 75 HE2 LYS 75 -7.534 18.775 14.321 597 HE3 LYS 75 HE3 LYS 75 -6.670 18.305 12.827 598 HZ1 LYS 75 HZ1 LYS 75 -8.027 20.275 12.499 599 HZ2 LYS 75 HZ2 LYS 75 -9.402 19.455 12.932 600 HZ3 LYS 75 HZ3 LYS 75 -8.582 19.031 11.560 601 H ASP 76 H ASP 76 -4.722 16.889 17.671 602 HA ASP 76 HA ASP 76 -3.938 15.141 19.543 603 HB2 ASP 76 HB2 ASP 76 -3.169 16.954 20.890 604 HB3 ASP 76 HB3 ASP 76 -2.975 17.369 19.177 605 H CYS 77 H CYS 77 -4.976 13.893 20.256 606 HA CYS 77 HA CYS 77 -6.134 13.844 22.906 607 HB2 CYS 77 HB2 CYS 77 -8.121 14.189 21.439 608 HB3 CYS 77 HB3 CYS 77 -7.560 12.923 20.368 609 H SER 78 H SER 78 -3.817 12.873 22.969 610 HA SER 78 HA SER 78 -3.288 10.904 20.852 611 HB2 SER 78 HB2 SER 78 -1.555 12.325 21.992 612 HB3 SER 78 HB3 SER 78 -1.823 11.424 23.528 613 HG SER 78 HG SER 78 -0.035 10.588 22.304 614 H HIS 79 H HIS 79 -4.391 9.324 20.720 615 HA HIS 79 HA HIS 79 -4.498 7.346 22.771 616 HB2 HIS 79 HB2 HIS 79 -6.550 8.802 22.835 617 HB3 HIS 79 HB3 HIS 79 -7.094 8.011 21.370 618 HD1 HIS 79 HD1 HIS 79 -6.188 7.253 25.030 619 HD2 HIS 79 HD2 HIS 79 -8.138 5.438 21.781 620 HE1 HIS 79 HE1 HIS 79 -7.396 5.211 25.919 621 HE2 HIS 79 HE2 HIS 79 -8.573 4.123 23.989 622 H VAL 80 H VAL 80 -3.051 7.325 20.177 623 HA VAL 80 HA VAL 80 -4.865 6.496 18.136 624 HB VAL 80 HB VAL 80 -1.829 6.150 18.357 625 HG11 VAL 80 HG11 VAL 80 -1.748 6.199 15.913 626 HG12 VAL 80 HG12 VAL 80 -3.460 6.453 15.785 627 HG13 VAL 80 HG13 VAL 80 -2.888 4.933 16.392 628 HG21 VAL 80 HG21 VAL 80 -2.193 8.452 18.688 629 HG22 VAL 80 HG22 VAL 80 -3.612 8.560 17.667 630 HG23 VAL 80 HG23 VAL 80 -1.996 8.375 16.940 631 H PHE 81 H PHE 81 -5.437 4.695 17.267 632 HA PHE 81 HA PHE 81 -4.613 2.064 18.384 633 HB2 PHE 81 HB2 PHE 81 -6.846 1.692 19.332 634 HB3 PHE 81 HB3 PHE 81 -6.177 3.174 20.037 635 HD1 PHE 81 HD1 PHE 81 -8.998 1.689 18.356 636 HD2 PHE 81 HD2 PHE 81 -6.999 5.468 18.836 637 HE1 PHE 81 HE1 PHE 81 -10.978 2.907 17.500 638 HE2 PHE 81 HE2 PHE 81 -8.992 6.641 17.909 639 HZ PHE 81 HZ PHE 81 -10.986 5.349 17.257 640 H LYS 82 H LYS 82 -5.998 0.299 17.475 641 HA LYS 82 HA LYS 82 -6.927 0.955 14.720 642 HB2 LYS 82 HB2 LYS 82 -6.487 -1.705 16.117 643 HB3 LYS 82 HB3 LYS 82 -7.228 -1.524 14.560 644 HG2 LYS 82 HG2 LYS 82 -5.072 -2.208 14.081 645 HG3 LYS 82 HG3 LYS 82 -5.181 -0.512 13.614 646 HD2 LYS 82 HD2 LYS 82 -3.990 0.151 15.655 647 HD3 LYS 82 HD3 LYS 82 -3.860 -1.567 16.116 648 HE2 LYS 82 HE2 LYS 82 -2.579 -2.024 14.030 649 HE3 LYS 82 HE3 LYS 82 -2.700 -0.314 13.605 650 HZ1 LYS 82 HZ1 LYS 82 -0.583 -1.028 14.656 651 HZ2 LYS 82 HZ2 LYS 82 -1.422 -1.224 16.093 652 HZ3 LYS 82 HZ3 LYS 82 -1.323 0.293 15.371 653 HA PRO 83 HA PRO 83 -10.928 0.875 16.695 654 HB2 PRO 83 HB2 PRO 83 -12.631 1.043 14.567 655 HB3 PRO 83 HB3 PRO 83 -11.676 2.455 15.119 656 HG2 PRO 83 HG2 PRO 83 -10.943 0.550 12.934 657 HG3 PRO 83 HG3 PRO 83 -11.038 2.307 12.870 658 HD2 PRO 83 HD2 PRO 83 -8.703 1.084 13.271 659 HD3 PRO 83 HD3 PRO 83 -9.075 2.531 14.220 660 H ASN 84 H ASN 84 -12.571 -0.751 17.074 661 HA ASN 84 HA ASN 84 -12.044 -3.326 15.633 662 HB2 ASN 84 HB2 ASN 84 -12.485 -4.529 17.646 663 HB3 ASN 84 HB3 ASN 84 -11.270 -3.277 17.987 664 HD21 ASN 84 HD21 ASN 84 -12.358 -1.128 18.774 665 HD22 ASN 84 HD22 ASN 84 -13.655 -1.297 19.893 666 H ALA 85 H ALA 85 -14.058 -1.143 15.028 667 HA ALA 85 HA ALA 85 -16.532 -2.793 14.973 668 HB1 ALA 85 HB1 ALA 85 -16.222 -0.076 16.305 669 HB2 ALA 85 HB2 ALA 85 -16.774 -1.596 17.022 670 HB3 ALA 85 HB3 ALA 85 -17.795 -0.786 15.822 671 H LEU 86 H LEU 86 -18.246 -1.589 13.647 672 HA LEU 86 HA LEU 86 -16.898 -0.704 11.211 673 HB2 LEU 86 HB2 LEU 86 -19.797 -1.165 11.831 674 HB3 LEU 86 HB3 LEU 86 -19.147 -0.882 10.226 675 HG LEU 86 HG LEU 86 -18.512 -3.289 11.963 676 HD11 LEU 86 HD11 LEU 86 -20.871 -3.273 11.164 677 HD12 LEU 86 HD12 LEU 86 -19.928 -4.592 10.386 678 HD13 LEU 86 HD13 LEU 86 -20.315 -3.042 9.541 679 HD21 LEU 86 HD21 LEU 86 -17.560 -4.198 9.763 680 HD22 LEU 86 HD22 LEU 86 -16.645 -2.806 10.437 681 HD23 LEU 86 HD23 LEU 86 -17.717 -2.527 9.136 682 H ASP 87 H ASP 87 -17.814 0.832 13.872 683 HA ASP 87 HA ASP 87 -19.143 3.173 12.748 684 HB2 ASP 87 HB2 ASP 87 -19.242 4.020 14.948 685 HB3 ASP 87 HB3 ASP 87 -19.736 2.313 14.926 686 H TYR 88 H TYR 88 -16.770 2.657 11.465 687 HA TYR 88 HA TYR 88 -14.428 3.885 12.440 688 HB2 TYR 88 HB2 TYR 88 -15.384 3.786 9.568 689 HB3 TYR 88 HB3 TYR 88 -13.731 4.123 10.100 690 HD1 TYR 88 HD1 TYR 88 -12.331 2.315 11.094 691 HD2 TYR 88 HD2 TYR 88 -16.228 1.565 9.458 692 HE1 TYR 88 HE1 TYR 88 -11.847 -0.161 10.970 693 HE2 TYR 88 HE2 TYR 88 -15.682 -0.874 9.295 694 HH TYR 88 HH TYR 88 -12.567 -2.198 10.457 695 H GLY 89 H GLY 89 -13.413 5.898 12.088 696 HA2 GLY 89 HA2 GLY 89 -13.279 8.127 11.360 697 HA3 GLY 89 HA3 GLY 89 -15.006 8.136 11.033 698 H VAL 90 H VAL 90 -14.156 6.893 14.142 699 HA VAL 90 HA VAL 90 -14.284 9.583 15.382 700 HB VAL 90 HB VAL 90 -15.704 8.715 17.215 701 HG11 VAL 90 HG11 VAL 90 -16.956 8.246 14.487 702 HG12 VAL 90 HG12 VAL 90 -17.848 8.601 15.991 703 HG13 VAL 90 HG13 VAL 90 -16.722 9.835 15.305 704 HG21 VAL 90 HG21 VAL 90 -16.891 6.491 16.894 705 HG22 VAL 90 HG22 VAL 90 -15.821 6.178 15.548 706 HG23 VAL 90 HG23 VAL 90 -15.178 6.327 17.196 707 H CYS 91 H CYS 91 -13.351 9.556 17.586 708 HA CYS 91 HA CYS 91 -10.990 7.862 17.840 709 HB2 CYS 91 HB2 CYS 91 -10.937 10.258 18.422 710 HB3 CYS 91 HB3 CYS 91 -12.112 9.926 19.707 711 H GLU 92 H GLU 92 -10.591 6.966 20.169 712 HA GLU 92 HA GLU 92 -12.919 5.356 21.042 713 HB2 GLU 92 HB2 GLU 92 -10.980 4.138 20.236 714 HB3 GLU 92 HB3 GLU 92 -9.957 4.956 21.445 715 HG2 GLU 92 HG2 GLU 92 -10.390 2.769 22.281 716 HG3 GLU 92 HG3 GLU 92 -11.329 3.928 23.238 717 H LYS 93 H LYS 93 -10.327 7.538 22.226 718 HA LYS 93 HA LYS 93 -10.952 7.296 25.046 719 HB2 LYS 93 HB2 LYS 93 -8.833 8.267 24.045 720 HB3 LYS 93 HB3 LYS 93 -9.785 9.676 23.558 721 HG2 LYS 93 HG2 LYS 93 -8.568 10.265 25.528 722 HG3 LYS 93 HG3 LYS 93 -10.274 10.092 25.988 723 HD2 LYS 93 HD2 LYS 93 -9.814 7.869 26.824 724 HD3 LYS 93 HD3 LYS 93 -8.120 8.050 26.407 725 HE2 LYS 93 HE2 LYS 93 -7.969 10.015 27.976 726 HE3 LYS 93 HE3 LYS 93 -9.694 9.726 28.374 727 HZ1 LYS 93 HZ1 LYS 93 -7.497 7.792 28.811 728 HZ2 LYS 93 HZ2 LYS 93 -9.100 7.470 29.069 729 HZ3 LYS 93 HZ3 LYS 93 -8.330 8.610 29.995 730 H CYS 94 H CYS 94 -12.067 9.170 22.387 731 HA CYS 94 HA CYS 94 -14.333 10.326 23.887 732 HB2 CYS 94 HB2 CYS 94 -13.969 12.460 22.782 733 HB3 CYS 94 HB3 CYS 94 -12.472 12.084 23.677 734 H HIS 95 H HIS 95 -15.886 10.908 21.886 735 HA HIS 95 HA HIS 95 -15.173 8.972 19.722 736 HB2 HIS 95 HB2 HIS 95 -17.897 9.550 20.806 737 HB3 HIS 95 HB3 HIS 95 -17.521 8.545 19.446 738 HD1 HIS 95 HD1 HIS 95 -17.734 8.481 23.131 739 HD2 HIS 95 HD2 HIS 95 -15.927 6.211 20.090 740 HE1 HIS 95 HE1 HIS 95 -17.075 6.206 24.158 741 HE2 HIS 95 HE2 HIS 95 -16.020 4.860 22.311 742 H SER 96 H SER 96 -14.368 11.609 19.882 743 HA SER 96 HA SER 96 -16.033 13.421 18.480 744 HB2 SER 96 HB2 SER 96 -14.223 14.180 19.878 745 HB3 SER 96 HB3 SER 96 -13.048 13.372 18.774 746 HG SER 96 HG SER 96 -13.542 14.917 17.201 747 H LYS 97 H LYS 97 -16.231 13.984 16.485 748 HA LYS 97 HA LYS 97 -15.296 12.313 14.296 749 HB2 LYS 97 HB2 LYS 97 -16.708 15.024 14.362 750 HB3 LYS 97 HB3 LYS 97 -16.426 14.040 12.920 751 HG2 LYS 97 HG2 LYS 97 -17.766 12.160 13.969 752 HG3 LYS 97 HG3 LYS 97 -18.206 13.285 15.240 753 HD2 LYS 97 HD2 LYS 97 -18.849 13.677 12.289 754 HD3 LYS 97 HD3 LYS 97 -19.977 13.052 13.526 755 HE2 LYS 97 HE2 LYS 97 -19.730 15.171 14.778 756 HE3 LYS 97 HE3 LYS 97 -18.716 15.798 13.447 757 HZ1 LYS 97 HZ1 LYS 97 -21.523 14.918 13.249 758 HZ2 LYS 97 HZ2 LYS 97 -20.622 15.390 11.965 759 HZ3 LYS 97 HZ3 LYS 97 -20.999 16.480 13.154 760 H ASN 98 H ASN 98 -14.074 13.384 12.463 761 HA ASN 98 HA ASN 98 -12.158 14.421 11.677 762 HB2 ASN 98 HB2 ASN 98 -12.411 16.379 13.917 763 HB3 ASN 98 HB3 ASN 98 -11.290 16.480 12.565 764 HD21 ASN 98 HD21 ASN 98 -14.085 17.708 13.713 765 HD22 ASN 98 HD22 ASN 98 -14.858 18.078 12.177 766 H VAL 99 H VAL 99 -11.711 12.260 12.468 767 HA VAL 99 HA VAL 99 -9.136 12.379 13.903 768 HB VAL 99 HB VAL 99 -9.368 9.897 14.210 769 HG11 VAL 99 HG11 VAL 99 -10.975 9.945 15.990 770 HG12 VAL 99 HG12 VAL 99 -10.241 11.564 15.947 771 HG13 VAL 99 HG13 VAL 99 -11.855 11.296 15.253 772 HG21 VAL 99 HG21 VAL 99 -11.575 8.837 13.817 773 HG22 VAL 99 HG22 VAL 99 -12.158 10.323 13.081 774 HG23 VAL 99 HG23 VAL 99 -10.825 9.420 12.295 775 H ILE 100 H ILE 100 -7.588 10.856 12.744 776 HA ILE 100 HA ILE 100 -8.182 10.936 9.836 777 HB ILE 100 HB ILE 100 -5.835 11.462 9.397 778 HG12 ILE 100 HG12 ILE 100 -5.475 11.905 12.360 779 HG13 ILE 100 HG13 ILE 100 -4.976 10.433 11.510 780 HG21 ILE 100 HG21 ILE 100 -7.591 13.280 9.715 781 HG22 ILE 100 HG22 ILE 100 -5.932 13.830 9.957 782 HG23 ILE 100 HG23 ILE 100 -6.945 13.513 11.378 783 HD11 ILE 100 HD11 ILE 100 -3.886 13.212 10.963 784 HD12 ILE 100 HD12 ILE 100 -3.083 11.882 11.819 785 HD13 ILE 100 HD13 ILE 100 -3.437 11.699 10.080 786 H ILE 101 H ILE 101 -6.890 9.418 8.562 787 HA ILE 101 HA ILE 101 -6.714 6.854 10.054 788 HB ILE 101 HB ILE 101 -6.819 7.466 7.045 789 HG12 ILE 101 HG12 ILE 101 -8.976 6.265 8.835 790 HG13 ILE 101 HG13 ILE 101 -8.926 7.973 8.341 791 HG21 ILE 101 HG21 ILE 101 -7.218 5.031 6.804 792 HG22 ILE 101 HG22 ILE 101 -6.985 4.839 8.575 793 HG23 ILE 101 HG23 ILE 101 -5.661 5.352 7.555 794 HD11 ILE 101 HD11 ILE 101 -9.128 7.245 5.961 795 HD12 ILE 101 HD12 ILE 101 -10.525 6.794 6.985 796 HD13 ILE 101 HD13 ILE 101 -9.279 5.560 6.540 797 H THR 102 H THR 102 -4.745 5.954 10.465 798 HA THR 102 HA THR 102 -2.388 7.383 9.301 799 HB THR 102 HB THR 102 -1.139 6.523 11.192 800 HG1 THR 102 HG1 THR 102 -2.230 5.383 12.803 801 HG21 THR 102 HG21 THR 102 -3.718 7.569 12.269 802 HG22 THR 102 HG22 THR 102 -2.631 8.571 11.256 803 HG23 THR 102 HG23 THR 102 -2.059 7.915 12.824 804 H GLN 103 H GLN 103 -4.068 4.334 9.111 805 HA GLN 103 HA GLN 103 -2.058 3.544 7.212 806 HB2 GLN 103 HB2 GLN 103 -1.660 1.352 7.854 807 HB3 GLN 103 HB3 GLN 103 -1.260 2.330 9.288 808 HG2 GLN 103 HG2 GLN 103 -3.484 1.707 10.181 809 HG3 GLN 103 HG3 GLN 103 -3.800 0.720 8.744 810 HE21 GLN 103 HE21 GLN 103 -4.172 -0.923 10.331 811 HE22 GLN 103 HE22 GLN 103 -2.811 -1.856 10.932 812 H GLY 104 H GLY 104 -2.954 2.024 5.682 813 HA2 GLY 104 HA2 GLY 104 -4.762 0.845 4.715 814 HA3 GLY 104 HA3 GLY 104 -5.783 1.302 6.093 815 H ASN 105 H ASN 105 -4.100 4.028 5.011 816 HA ASN 105 HA ASN 105 -6.543 4.996 3.607 817 HB2 ASN 105 HB2 ASN 105 -5.485 6.338 5.437 818 HB3 ASN 105 HB3 ASN 105 -4.075 6.505 4.441 819 HD21 ASN 105 HD21 ASN 105 -4.060 8.600 3.965 820 HD22 ASN 105 HD22 ASN 105 -5.383 9.439 3.227 821 H GLU 106 H GLU 106 -3.304 3.982 3.219 822 HA GLU 106 HA GLU 106 -3.320 4.467 0.309 823 HB2 GLU 106 HB2 GLU 106 -1.100 5.238 2.152 824 HB3 GLU 106 HB3 GLU 106 -0.985 5.201 0.421 825 HG2 GLU 106 HG2 GLU 106 -2.780 7.028 1.998 826 HG3 GLU 106 HG3 GLU 106 -1.218 7.446 1.245 827 H MET 107 H MET 107 -1.613 3.328 -0.758 828 HA MET 107 HA MET 107 -1.396 0.538 -0.027 829 HB2 MET 107 HB2 MET 107 -1.369 1.553 -2.313 830 HB3 MET 107 HB3 MET 107 0.222 2.255 -1.884 831 HG2 MET 107 HG2 MET 107 1.090 -0.083 -1.588 832 HG3 MET 107 HG3 MET 107 -0.409 -0.697 -2.249 833 HE1 MET 107 HE1 MET 107 2.831 1.922 -4.389 834 HE2 MET 107 HE2 MET 107 3.120 0.981 -2.922 835 HE3 MET 107 HE3 MET 107 2.097 2.372 -2.854 836 H ARG 108 H ARG 108 0.302 -0.694 0.801 837 HA ARG 108 HA ARG 108 2.814 0.712 1.507 838 HB2 ARG 108 HB2 ARG 108 1.219 0.821 3.404 839 HB3 ARG 108 HB3 ARG 108 1.055 -0.934 3.362 840 HG2 ARG 108 HG2 ARG 108 3.356 -1.245 4.060 841 HG3 ARG 108 HG3 ARG 108 3.633 0.495 3.909 842 HD2 ARG 108 HD2 ARG 108 3.323 -0.040 6.253 843 HD3 ARG 108 HD3 ARG 108 1.941 0.951 5.690 844 HE ARG 108 HE ARG 108 1.217 -1.778 5.461 845 HH11 ARG 108 HH11 ARG 108 -0.109 -2.758 6.860 846 HH12 ARG 108 HH12 ARG 108 -0.268 -2.128 8.491 847 HH21 ARG 108 HH21 ARG 108 1.777 0.638 7.968 848 HH22 ARG 108 HH22 ARG 108 0.618 -0.178 9.032 849 H LEU 109 H LEU 109 4.664 -0.850 1.508 850 HA LEU 109 HA LEU 109 3.947 -3.285 0.003 851 HB2 LEU 109 HB2 LEU 109 6.628 -2.108 0.829 852 HB3 LEU 109 HB3 LEU 109 6.418 -3.605 -0.079 853 HG LEU 109 HG LEU 109 5.553 -0.834 -1.098 854 HD11 LEU 109 HD11 LEU 109 8.013 -2.472 -1.874 855 HD12 LEU 109 HD12 LEU 109 8.053 -1.111 -0.773 856 HD13 LEU 109 HD13 LEU 109 7.586 -0.926 -2.458 857 HD21 LEU 109 HD21 LEU 109 4.300 -2.382 -2.262 858 HD22 LEU 109 HD22 LEU 109 5.720 -2.297 -3.267 859 HD23 LEU 109 HD23 LEU 109 5.541 -3.658 -2.167 860 H LEU 110 H LEU 110 4.128 -5.376 0.921 861 HA LEU 110 HA LEU 110 4.950 -5.391 3.822 862 HB2 LEU 110 HB2 LEU 110 3.230 -7.364 2.254 863 HB3 LEU 110 HB3 LEU 110 3.599 -7.504 3.977 864 HG LEU 110 HG LEU 110 2.044 -5.232 2.674 865 HD11 LEU 110 HD11 LEU 110 0.076 -6.190 3.666 866 HD12 LEU 110 HD12 LEU 110 1.026 -7.500 4.425 867 HD13 LEU 110 HD13 LEU 110 0.883 -7.422 2.621 868 HD21 LEU 110 HD21 LEU 110 1.334 -4.696 4.990 869 HD22 LEU 110 HD22 LEU 110 3.063 -4.396 4.701 870 HD23 LEU 110 HD23 LEU 110 2.550 -5.831 5.611 871 H SER 111 H SER 111 5.271 -7.410 0.782 872 HA SER 111 HA SER 111 7.984 -8.112 1.656 873 HB2 SER 111 HB2 SER 111 5.949 -10.223 1.027 874 HB3 SER 111 HB3 SER 111 7.636 -10.516 1.356 875 HG SER 111 HG SER 111 7.330 -9.710 3.444 876 H LEU 112 H LEU 112 9.308 -8.967 -0.104 877 HA LEU 112 HA LEU 112 7.998 -8.922 -2.796 878 HB2 LEU 112 HB2 LEU 112 10.668 -7.667 -2.091 879 HB3 LEU 112 HB3 LEU 112 10.080 -7.968 -3.708 880 HG LEU 112 HG LEU 112 8.286 -6.242 -3.437 881 HD11 LEU 112 HD11 LEU 112 7.886 -6.072 -1.081 882 HD12 LEU 112 HD12 LEU 112 8.746 -4.548 -1.530 883 HD13 LEU 112 HD13 LEU 112 9.585 -5.844 -0.704 884 HD21 LEU 112 HD21 LEU 112 9.815 -4.378 -3.670 885 HD22 LEU 112 HD22 LEU 112 10.557 -5.812 -4.422 886 HD23 LEU 112 HD23 LEU 112 11.080 -5.264 -2.838 887 H GLU 113 H GLU 113 8.808 -10.482 -4.254 888 HA GLU 113 HA GLU 113 10.830 -12.393 -3.090 889 HB2 GLU 113 HB2 GLU 113 8.672 -13.449 -3.989 890 HB3 GLU 113 HB3 GLU 113 9.068 -12.755 -5.558 891 HG2 GLU 113 HG2 GLU 113 9.768 -14.987 -5.639 892 HG3 GLU 113 HG3 GLU 113 11.246 -14.029 -5.481 893 H MET 114 H MET 114 12.934 -12.071 -3.903 894 HA MET 114 HA MET 114 13.131 -10.413 -6.373 895 HB2 MET 114 HB2 MET 114 14.602 -10.055 -3.735 896 HB3 MET 114 HB3 MET 114 14.861 -9.062 -5.234 897 HG2 MET 114 HG2 MET 114 12.460 -8.343 -5.016 898 HG3 MET 114 HG3 MET 114 12.286 -9.336 -3.592 899 HE1 MET 114 HE1 MET 114 14.458 -5.416 -3.679 900 HE2 MET 114 HE2 MET 114 13.221 -5.982 -4.852 901 HE3 MET 114 HE3 MET 114 14.869 -6.752 -4.839 902 H LEU 115 H LEU 115 15.020 -10.690 -7.642 903 HA LEU 115 HA LEU 115 16.583 -13.160 -6.902 904 HB2 LEU 115 HB2 LEU 115 16.107 -11.763 -9.593 905 HB3 LEU 115 HB3 LEU 115 17.084 -13.219 -9.357 906 HG LEU 115 HG LEU 115 14.093 -13.013 -8.871 907 HD11 LEU 115 HD11 LEU 115 15.609 -14.378 -11.114 908 HD12 LEU 115 HD12 LEU 115 14.858 -12.760 -11.254 909 HD13 LEU 115 HD13 LEU 115 13.825 -14.199 -10.936 910 HD21 LEU 115 HD21 LEU 115 14.195 -15.477 -8.748 911 HD22 LEU 115 HD22 LEU 115 15.961 -15.405 -8.834 912 HD23 LEU 115 HD23 LEU 115 15.070 -14.758 -7.434 913 H ALA 116 H ALA 116 18.716 -12.918 -6.473 914 HA ALA 116 HA ALA 116 19.876 -10.319 -6.160 915 HB1 ALA 116 HB1 ALA 116 21.854 -11.553 -5.485 916 HB2 ALA 116 HB2 ALA 116 21.363 -12.994 -6.406 917 HB3 ALA 116 HB3 ALA 116 20.447 -12.489 -4.974 918 H GLU 117 H GLU 117 21.385 -9.221 -7.224 919 HA GLU 117 HA GLU 117 21.360 -9.347 -10.100 920 HB2 GLU 117 HB2 GLU 117 22.711 -7.363 -10.015 921 HB3 GLU 117 HB3 GLU 117 21.444 -7.300 -8.759 922 HG2 GLU 117 HG2 GLU 117 23.147 -8.024 -7.126 923 HG3 GLU 117 HG3 GLU 117 24.408 -7.928 -8.348 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -2.657 9.961 -3.133 2 H2 MET 1 H2 MET 1 -2.845 10.304 -4.725 3 H3 MET 1 H3 MET 1 -2.329 8.836 -4.253 4 HA MET 1 HA MET 1 -4.421 8.396 -3.171 5 HB2 MET 1 HB2 MET 1 -5.022 10.773 -2.746 6 HB3 MET 1 HB3 MET 1 -5.221 10.997 -4.486 7 HG2 MET 1 HG2 MET 1 -7.077 9.369 -4.452 8 HG3 MET 1 HG3 MET 1 -6.894 9.173 -2.694 9 HE1 MET 1 HE1 MET 1 -7.524 10.768 -0.916 10 HE2 MET 1 HE2 MET 1 -8.200 12.424 -1.153 11 HE3 MET 1 HE3 MET 1 -6.460 12.072 -1.497 12 H HIS 2 H HIS 2 -3.875 9.911 -6.387 13 HA HIS 2 HA HIS 2 -5.946 8.315 -7.611 14 HB2 HIS 2 HB2 HIS 2 -3.568 9.767 -8.775 15 HB3 HIS 2 HB3 HIS 2 -4.886 9.163 -9.747 16 HD1 HIS 2 HD1 HIS 2 -4.069 12.211 -9.672 17 HD2 HIS 2 HD2 HIS 2 -6.958 10.498 -7.157 18 HE1 HIS 2 HE1 HIS 2 -5.558 14.106 -8.846 19 HE2 HIS 2 HE2 HIS 2 -7.363 13.061 -7.408 20 H GLU 3 H GLU 3 -5.754 6.339 -8.843 21 HA GLU 3 HA GLU 3 -3.877 4.624 -7.580 22 HB2 GLU 3 HB2 GLU 3 -5.525 4.183 -10.095 23 HB3 GLU 3 HB3 GLU 3 -4.680 2.926 -9.229 24 HG2 GLU 3 HG2 GLU 3 -6.921 2.724 -8.545 25 HG3 GLU 3 HG3 GLU 3 -6.148 3.542 -7.176 26 H TYR 4 H TYR 4 -3.848 5.975 -10.923 27 HA TYR 4 HA TYR 4 -1.586 4.341 -11.658 28 HB2 TYR 4 HB2 TYR 4 -2.767 6.922 -12.878 29 HB3 TYR 4 HB3 TYR 4 -1.396 6.018 -13.553 30 HD1 TYR 4 HD1 TYR 4 -1.620 3.877 -14.684 31 HD2 TYR 4 HD2 TYR 4 -5.081 5.792 -12.997 32 HE1 TYR 4 HE1 TYR 4 -3.092 2.390 -15.966 33 HE2 TYR 4 HE2 TYR 4 -6.554 4.187 -14.261 34 HH TYR 4 HH TYR 4 -6.574 2.553 -15.976 35 H SER 5 H SER 5 -1.929 7.544 -10.110 36 HA SER 5 HA SER 5 0.847 8.262 -10.523 37 HB2 SER 5 HB2 SER 5 -0.917 9.921 -9.930 38 HB3 SER 5 HB3 SER 5 -1.137 9.135 -8.343 39 HG SER 5 HG SER 5 1.253 10.320 -9.286 40 H VAL 6 H VAL 6 -0.941 6.463 -7.979 41 HA VAL 6 HA VAL 6 1.352 6.366 -6.217 42 HB VAL 6 HB VAL 6 -1.193 4.672 -6.280 43 HG11 VAL 6 HG11 VAL 6 -0.560 4.165 -3.871 44 HG12 VAL 6 HG12 VAL 6 0.453 3.387 -5.086 45 HG13 VAL 6 HG13 VAL 6 1.048 4.797 -4.209 46 HG21 VAL 6 HG21 VAL 6 -0.407 6.901 -4.364 47 HG22 VAL 6 HG22 VAL 6 -1.969 6.100 -4.512 48 HG23 VAL 6 HG23 VAL 6 -1.397 7.176 -5.780 49 H VAL 7 H VAL 7 -0.077 4.159 -8.678 50 HA VAL 7 HA VAL 7 1.887 2.104 -8.193 51 HB VAL 7 HB VAL 7 0.189 2.678 -10.709 52 HG11 VAL 7 HG11 VAL 7 2.177 1.328 -11.206 53 HG12 VAL 7 HG12 VAL 7 1.796 0.215 -9.869 54 HG13 VAL 7 HG13 VAL 7 0.699 0.368 -11.262 55 HG21 VAL 7 HG21 VAL 7 -1.205 0.857 -9.833 56 HG22 VAL 7 HG22 VAL 7 -1.103 2.139 -8.609 57 HG23 VAL 7 HG23 VAL 7 -0.147 0.662 -8.429 58 H SER 8 H SER 8 1.850 4.987 -10.368 59 HA SER 8 HA SER 8 4.164 4.160 -11.815 60 HB2 SER 8 HB2 SER 8 2.748 6.112 -12.453 61 HB3 SER 8 HB3 SER 8 3.368 7.010 -11.038 62 HG SER 8 HG SER 8 5.480 6.767 -11.963 63 H SER 9 H SER 9 3.777 5.823 -8.656 64 HA SER 9 HA SER 9 6.658 6.198 -8.372 65 HB2 SER 9 HB2 SER 9 6.099 6.896 -6.069 66 HB3 SER 9 HB3 SER 9 5.020 7.681 -7.197 67 HG SER 9 HG SER 9 3.635 5.708 -6.593 68 H LEU 10 H LEU 10 4.383 3.653 -7.707 69 HA LEU 10 HA LEU 10 5.875 2.253 -5.647 70 HB2 LEU 10 HB2 LEU 10 3.485 1.777 -6.308 71 HB3 LEU 10 HB3 LEU 10 4.048 1.074 -7.808 72 HG LEU 10 HG LEU 10 5.170 -0.642 -6.653 73 HD11 LEU 10 HD11 LEU 10 4.413 0.893 -4.176 74 HD12 LEU 10 HD12 LEU 10 5.952 0.174 -4.600 75 HD13 LEU 10 HD13 LEU 10 4.550 -0.896 -4.113 76 HD21 LEU 10 HD21 LEU 10 2.877 -1.058 -7.306 77 HD22 LEU 10 HD22 LEU 10 3.107 -1.778 -5.692 78 HD23 LEU 10 HD23 LEU 10 2.259 -0.223 -5.881 79 H ILE 11 H ILE 11 5.910 2.089 -9.259 80 HA ILE 11 HA ILE 11 7.594 -0.225 -9.247 81 HB ILE 11 HB ILE 11 7.442 1.998 -11.347 82 HG12 ILE 11 HG12 ILE 11 5.250 0.912 -10.952 83 HG13 ILE 11 HG13 ILE 11 5.907 0.495 -12.514 84 HG21 ILE 11 HG21 ILE 11 8.208 0.129 -12.908 85 HG22 ILE 11 HG22 ILE 11 9.442 0.784 -11.724 86 HG23 ILE 11 HG23 ILE 11 8.649 -0.773 -11.414 87 HD11 ILE 11 HD11 ILE 11 6.535 -1.790 -11.661 88 HD12 ILE 11 HD12 ILE 11 4.824 -1.517 -11.390 89 HD13 ILE 11 HD13 ILE 11 5.971 -1.362 -10.066 90 H ALA 12 H ALA 12 8.282 3.248 -9.118 91 HA ALA 12 HA ALA 12 11.136 2.975 -9.274 92 HB1 ALA 12 HB1 ALA 12 9.558 5.137 -7.928 93 HB2 ALA 12 HB2 ALA 12 9.951 5.095 -9.655 94 HB3 ALA 12 HB3 ALA 12 11.257 5.227 -8.448 95 H LEU 13 H LEU 13 8.824 2.940 -6.634 96 HA LEU 13 HA LEU 13 10.757 2.935 -4.552 97 HB2 LEU 13 HB2 LEU 13 8.320 3.433 -4.335 98 HB3 LEU 13 HB3 LEU 13 8.008 1.725 -4.599 99 HG LEU 13 HG LEU 13 9.192 1.154 -2.529 100 HD11 LEU 13 HD11 LEU 13 10.789 2.996 -2.388 101 HD12 LEU 13 HD12 LEU 13 9.801 2.982 -0.952 102 HD13 LEU 13 HD13 LEU 13 9.490 4.139 -2.223 103 HD21 LEU 13 HD21 LEU 13 6.745 1.526 -2.464 104 HD22 LEU 13 HD22 LEU 13 7.518 2.084 -0.957 105 HD23 LEU 13 HD23 LEU 13 7.011 3.236 -2.187 106 H CYS 14 H CYS 14 9.238 0.437 -6.470 107 HA CYS 14 HA CYS 14 10.294 -1.803 -4.961 108 HB2 CYS 14 HB2 CYS 14 9.324 -1.600 -7.867 109 HB3 CYS 14 HB3 CYS 14 9.772 -3.092 -7.056 110 HG CYS 14 HG CYS 14 7.459 -0.944 -6.207 111 H GLU 15 H GLU 15 11.415 0.142 -7.813 112 HA GLU 15 HA GLU 15 13.770 -1.473 -8.206 113 HB2 GLU 15 HB2 GLU 15 13.226 1.429 -8.888 114 HB3 GLU 15 HB3 GLU 15 14.663 0.542 -9.373 115 HG2 GLU 15 HG2 GLU 15 13.254 -1.032 -10.596 116 HG3 GLU 15 HG3 GLU 15 11.806 -0.129 -10.205 117 H GLU 16 H GLU 16 13.292 1.371 -6.012 118 HA GLU 16 HA GLU 16 16.157 1.522 -5.583 119 HB2 GLU 16 HB2 GLU 16 15.788 2.932 -3.660 120 HB3 GLU 16 HB3 GLU 16 14.697 3.432 -4.954 121 HG2 GLU 16 HG2 GLU 16 12.852 2.377 -3.763 122 HG3 GLU 16 HG3 GLU 16 13.971 1.773 -2.523 123 H HIS 17 H HIS 17 13.481 -0.370 -4.151 124 HA HIS 17 HA HIS 17 15.142 -1.503 -2.039 125 HB2 HIS 17 HB2 HIS 17 12.611 -2.527 -3.369 126 HB3 HIS 17 HB3 HIS 17 13.428 -3.288 -2.041 127 HD1 HIS 17 HD1 HIS 17 13.708 -1.917 0.262 128 HD2 HIS 17 HD2 HIS 17 10.846 -0.510 -2.455 129 HE1 HIS 17 HE1 HIS 17 12.103 -0.424 1.556 130 HE2 HIS 17 HE2 HIS 17 10.387 0.414 -0.081 131 H ALA 18 H ALA 18 14.545 -2.258 -5.455 132 HA ALA 18 HA ALA 18 15.883 -4.816 -5.412 133 HB1 ALA 18 HB1 ALA 18 15.960 -2.939 -7.749 134 HB2 ALA 18 HB2 ALA 18 14.488 -3.779 -7.281 135 HB3 ALA 18 HB3 ALA 18 15.913 -4.709 -7.730 136 H LYS 19 H LYS 19 17.089 -1.451 -5.840 137 HA LYS 19 HA LYS 19 19.810 -2.291 -6.284 138 HB2 LYS 19 HB2 LYS 19 18.749 0.300 -5.134 139 HB3 LYS 19 HB3 LYS 19 20.408 0.025 -5.702 140 HG2 LYS 19 HG2 LYS 19 19.507 -0.364 -7.974 141 HG3 LYS 19 HG3 LYS 19 17.884 -0.069 -7.370 142 HD2 LYS 19 HD2 LYS 19 18.596 2.203 -6.703 143 HD3 LYS 19 HD3 LYS 19 20.146 1.896 -7.436 144 HE2 LYS 19 HE2 LYS 19 17.474 1.856 -8.859 145 HE3 LYS 19 HE3 LYS 19 18.671 3.148 -8.963 146 HZ1 LYS 19 HZ1 LYS 19 18.752 1.761 -10.888 147 HZ2 LYS 19 HZ2 LYS 19 18.959 0.370 -10.004 148 HZ3 LYS 19 HZ3 LYS 19 20.164 1.536 -10.040 149 H LYS 20 H LYS 20 17.919 -1.670 -3.356 150 HA LYS 20 HA LYS 20 20.199 -1.817 -1.568 151 HB2 LYS 20 HB2 LYS 20 17.196 -2.116 -1.061 152 HB3 LYS 20 HB3 LYS 20 18.463 -2.103 0.187 153 HG2 LYS 20 HG2 LYS 20 19.088 0.199 -0.427 154 HG3 LYS 20 HG3 LYS 20 17.871 0.214 -1.738 155 HD2 LYS 20 HD2 LYS 20 16.054 -0.255 -0.033 156 HD3 LYS 20 HD3 LYS 20 17.326 -0.224 1.229 157 HE2 LYS 20 HE2 LYS 20 17.891 2.116 0.567 158 HE3 LYS 20 HE3 LYS 20 16.549 2.059 -0.614 159 HZ1 LYS 20 HZ1 LYS 20 15.818 3.128 1.377 160 HZ2 LYS 20 HZ2 LYS 20 16.418 1.951 2.360 161 HZ3 LYS 20 HZ3 LYS 20 15.111 1.621 1.398 162 H ASN 21 H ASN 21 18.160 -4.196 -3.066 163 HA ASN 21 HA ASN 21 19.291 -6.325 -1.254 164 HB2 ASN 21 HB2 ASN 21 16.818 -5.945 -1.824 165 HB3 ASN 21 HB3 ASN 21 17.139 -6.717 -3.390 166 HD21 ASN 21 HD21 ASN 21 18.566 -8.848 -3.005 167 HD22 ASN 21 HD22 ASN 21 17.808 -9.927 -1.864 168 H GLN 22 H GLN 22 20.222 -4.680 -3.955 169 HA GLN 22 HA GLN 22 21.507 -5.109 -5.799 170 HB2 GLN 22 HB2 GLN 22 22.365 -7.504 -4.114 171 HB3 GLN 22 HB3 GLN 22 23.231 -6.842 -5.523 172 HG2 GLN 22 HG2 GLN 22 23.449 -4.635 -4.314 173 HG3 GLN 22 HG3 GLN 22 22.660 -5.385 -2.914 174 HE21 GLN 22 HE21 GLN 22 25.522 -4.384 -3.959 175 HE22 GLN 22 HE22 GLN 22 26.565 -5.546 -3.236 176 H ALA 23 H ALA 23 18.863 -5.872 -6.026 177 HA ALA 23 HA ALA 23 18.967 -8.569 -7.312 178 HB1 ALA 23 HB1 ALA 23 16.576 -6.870 -6.377 179 HB2 ALA 23 HB2 ALA 23 17.251 -8.271 -5.516 180 HB3 ALA 23 HB3 ALA 23 16.455 -8.515 -7.102 181 H HIS 24 H HIS 24 18.364 -8.874 -9.445 182 HA HIS 24 HA HIS 24 18.262 -6.352 -11.047 183 HB2 HIS 24 HB2 HIS 24 19.020 -7.641 -12.890 184 HB3 HIS 24 HB3 HIS 24 19.987 -8.111 -11.503 185 HD1 HIS 24 HD1 HIS 24 17.833 -9.452 -14.168 186 HD2 HIS 24 HD2 HIS 24 19.074 -10.735 -10.378 187 HE1 HIS 24 HE1 HIS 24 17.317 -11.952 -14.018 188 HE2 HIS 24 HE2 HIS 24 18.159 -12.706 -11.774 189 H LYS 25 H LYS 25 16.278 -8.733 -9.762 190 HA LYS 25 HA LYS 25 14.080 -8.075 -11.596 191 HB2 LYS 25 HB2 LYS 25 15.634 -10.500 -11.635 192 HB3 LYS 25 HB3 LYS 25 14.009 -10.860 -11.051 193 HG2 LYS 25 HG2 LYS 25 14.667 -9.541 -13.685 194 HG3 LYS 25 HG3 LYS 25 14.258 -11.228 -13.443 195 HD2 LYS 25 HD2 LYS 25 12.075 -10.570 -12.412 196 HD3 LYS 25 HD3 LYS 25 12.432 -8.928 -12.936 197 HE2 LYS 25 HE2 LYS 25 12.217 -11.380 -14.651 198 HE3 LYS 25 HE3 LYS 25 11.021 -10.116 -14.502 199 HZ1 LYS 25 HZ1 LYS 25 12.765 -8.590 -15.417 200 HZ2 LYS 25 HZ2 LYS 25 12.200 -9.747 -16.465 201 HZ3 LYS 25 HZ3 LYS 25 13.683 -9.929 -15.748 202 H ILE 26 H ILE 26 12.150 -7.894 -10.442 203 HA ILE 26 HA ILE 26 12.072 -9.166 -7.689 204 HB ILE 26 HB ILE 26 10.382 -6.913 -8.871 205 HG12 ILE 26 HG12 ILE 26 12.390 -6.846 -6.616 206 HG13 ILE 26 HG13 ILE 26 12.771 -6.374 -8.275 207 HG21 ILE 26 HG21 ILE 26 10.439 -8.210 -6.131 208 HG22 ILE 26 HG22 ILE 26 9.463 -6.756 -6.537 209 HG23 ILE 26 HG23 ILE 26 9.111 -8.309 -7.286 210 HD11 ILE 26 HD11 ILE 26 10.791 -5.006 -6.495 211 HD12 ILE 26 HD12 ILE 26 12.397 -4.471 -6.937 212 HD13 ILE 26 HD13 ILE 26 11.140 -4.565 -8.172 213 H GLU 27 H GLU 27 10.859 -11.002 -7.617 214 HA GLU 27 HA GLU 27 9.346 -11.729 -10.018 215 HB2 GLU 27 HB2 GLU 27 10.678 -13.104 -7.839 216 HB3 GLU 27 HB3 GLU 27 9.046 -13.736 -8.149 217 HG2 GLU 27 HG2 GLU 27 11.224 -13.423 -10.201 218 HG3 GLU 27 HG3 GLU 27 10.740 -14.960 -9.476 219 H ARG 28 H ARG 28 8.672 -10.865 -6.655 220 HA ARG 28 HA ARG 28 5.780 -10.744 -7.342 221 HB2 ARG 28 HB2 ARG 28 6.248 -13.043 -6.296 222 HB3 ARG 28 HB3 ARG 28 6.821 -12.180 -4.853 223 HG2 ARG 28 HG2 ARG 28 4.569 -11.217 -4.482 224 HG3 ARG 28 HG3 ARG 28 3.965 -12.127 -5.877 225 HD2 ARG 28 HD2 ARG 28 5.187 -13.273 -3.346 226 HD3 ARG 28 HD3 ARG 28 3.462 -13.257 -3.682 227 HE ARG 28 HE ARG 28 5.471 -15.065 -4.820 228 HH11 ARG 28 HH11 ARG 28 2.131 -13.880 -5.127 229 HH12 ARG 28 HH12 ARG 28 1.686 -15.360 -5.966 230 HH21 ARG 28 HH21 ARG 28 4.752 -16.778 -5.918 231 HH22 ARG 28 HH22 ARG 28 3.081 -16.955 -6.384 232 H VAL 29 H VAL 29 4.726 -9.125 -6.302 233 HA VAL 29 HA VAL 29 6.156 -7.747 -4.067 234 HB VAL 29 HB VAL 29 4.586 -6.417 -6.403 235 HG11 VAL 29 HG11 VAL 29 5.843 -5.303 -3.832 236 HG12 VAL 29 HG12 VAL 29 5.232 -4.302 -5.216 237 HG13 VAL 29 HG13 VAL 29 4.112 -5.353 -4.275 238 HG21 VAL 29 HG21 VAL 29 6.817 -5.258 -6.677 239 HG22 VAL 29 HG22 VAL 29 6.867 -6.993 -7.050 240 HG23 VAL 29 HG23 VAL 29 7.511 -6.399 -5.525 241 H VAL 30 H VAL 30 4.840 -7.708 -2.318 242 HA VAL 30 HA VAL 30 1.925 -7.993 -2.885 243 HB VAL 30 HB VAL 30 1.621 -9.091 -0.695 244 HG11 VAL 30 HG11 VAL 30 2.215 -10.340 -2.845 245 HG12 VAL 30 HG12 VAL 30 2.474 -11.245 -1.301 246 HG13 VAL 30 HG13 VAL 30 3.858 -10.508 -2.190 247 HG21 VAL 30 HG21 VAL 30 3.487 -9.914 0.624 248 HG22 VAL 30 HG22 VAL 30 3.503 -8.126 0.508 249 HG23 VAL 30 HG23 VAL 30 4.617 -9.088 -0.423 250 H VAL 31 H VAL 31 0.611 -6.538 -2.026 251 HA VAL 31 HA VAL 31 1.957 -4.353 -0.481 252 HB VAL 31 HB VAL 31 0.533 -2.670 -1.674 253 HG11 VAL 31 HG11 VAL 31 2.851 -3.339 -2.444 254 HG12 VAL 31 HG12 VAL 31 1.810 -2.469 -3.588 255 HG13 VAL 31 HG13 VAL 31 2.050 -4.203 -3.725 256 HG21 VAL 31 HG21 VAL 31 -1.345 -4.171 -2.348 257 HG22 VAL 31 HG22 VAL 31 -0.257 -4.978 -3.498 258 HG23 VAL 31 HG23 VAL 31 -0.674 -3.242 -3.728 259 H GLY 32 H GLY 32 0.577 -3.001 0.770 260 HA2 GLY 32 HA2 GLY 32 -1.895 -4.411 1.662 261 HA3 GLY 32 HA3 GLY 32 -0.892 -3.345 2.684 262 H ILE 33 H ILE 33 -3.756 -3.405 0.944 263 HA ILE 33 HA ILE 33 -3.533 -0.435 0.473 264 HB ILE 33 HB ILE 33 -5.208 -2.396 -1.193 265 HG12 ILE 33 HG12 ILE 33 -2.968 -0.462 -1.970 266 HG13 ILE 33 HG13 ILE 33 -2.732 -2.234 -1.734 267 HG21 ILE 33 HG21 ILE 33 -5.047 0.693 -1.080 268 HG22 ILE 33 HG22 ILE 33 -6.493 -0.349 -0.865 269 HG23 ILE 33 HG23 ILE 33 -5.739 -0.223 -2.449 270 HD11 ILE 33 HD11 ILE 33 -4.180 -0.819 -3.972 271 HD12 ILE 33 HD12 ILE 33 -4.620 -2.494 -3.495 272 HD13 ILE 33 HD13 ILE 33 -2.945 -2.139 -3.998 273 H GLY 34 H GLY 34 -4.992 0.643 1.749 274 HA2 GLY 34 HA2 GLY 34 -6.334 -0.844 3.730 275 HA3 GLY 34 HA3 GLY 34 -6.562 0.843 3.388 276 H GLU 35 H GLU 35 -8.367 -1.339 4.206 277 HA GLU 35 HA GLU 35 -10.041 -2.023 2.003 278 HB2 GLU 35 HB2 GLU 35 -11.547 -2.869 3.644 279 HB3 GLU 35 HB3 GLU 35 -9.906 -3.244 4.144 280 HG2 GLU 35 HG2 GLU 35 -10.026 -1.321 5.691 281 HG3 GLU 35 HG3 GLU 35 -11.689 -1.125 5.211 282 H ARG 36 H ARG 36 -9.700 0.833 3.801 283 HA ARG 36 HA ARG 36 -12.196 1.944 2.565 284 HB2 ARG 36 HB2 ARG 36 -10.743 2.837 5.104 285 HB3 ARG 36 HB3 ARG 36 -12.176 3.638 4.356 286 HG2 ARG 36 HG2 ARG 36 -13.605 1.723 4.701 287 HG3 ARG 36 HG3 ARG 36 -12.209 0.819 5.358 288 HD2 ARG 36 HD2 ARG 36 -12.063 2.397 7.234 289 HD3 ARG 36 HD3 ARG 36 -13.447 3.316 6.576 290 HE ARG 36 HE ARG 36 -13.596 0.663 7.861 291 HH11 ARG 36 HH11 ARG 36 -15.586 -0.160 8.299 292 HH12 ARG 36 HH12 ARG 36 -17.048 0.652 7.697 293 HH21 ARG 36 HH21 ARG 36 -15.381 3.214 6.083 294 HH22 ARG 36 HH22 ARG 36 -16.924 2.525 6.516 295 H SER 37 H SER 37 -9.363 1.636 1.522 296 HA SER 37 HA SER 37 -8.213 4.232 1.633 297 HB2 SER 37 HB2 SER 37 -6.761 3.449 -0.246 298 HB3 SER 37 HB3 SER 37 -6.872 2.205 1.058 299 HG SER 37 HG SER 37 -8.131 0.997 -0.190 300 H ALA 38 H ALA 38 -7.928 5.703 -0.084 301 HA ALA 38 HA ALA 38 -10.429 6.263 -1.540 302 HB1 ALA 38 HB1 ALA 38 -9.205 8.314 -2.209 303 HB2 ALA 38 HB2 ALA 38 -7.769 7.696 -1.322 304 HB3 ALA 38 HB3 ALA 38 -9.254 8.124 -0.461 305 H MET 39 H MET 39 -8.879 3.794 -2.255 306 HA MET 39 HA MET 39 -8.014 4.566 -5.010 307 HB2 MET 39 HB2 MET 39 -6.835 2.483 -3.134 308 HB3 MET 39 HB3 MET 39 -6.329 2.743 -4.810 309 HG2 MET 39 HG2 MET 39 -5.580 5.004 -4.271 310 HG3 MET 39 HG3 MET 39 -6.116 4.773 -2.581 311 HE1 MET 39 HE1 MET 39 -4.121 2.491 -5.190 312 HE2 MET 39 HE2 MET 39 -2.464 2.689 -4.554 313 HE3 MET 39 HE3 MET 39 -3.338 4.082 -5.222 314 H ASP 40 H ASP 40 -8.536 3.309 -6.665 315 HA ASP 40 HA ASP 40 -10.648 1.286 -6.200 316 HB2 ASP 40 HB2 ASP 40 -10.890 3.161 -7.889 317 HB3 ASP 40 HB3 ASP 40 -9.591 2.438 -8.784 318 H LYS 41 H LYS 41 -10.101 -0.860 -5.990 319 HA LYS 41 HA LYS 41 -7.385 -1.731 -6.523 320 HB2 LYS 41 HB2 LYS 41 -9.949 -3.266 -6.029 321 HB3 LYS 41 HB3 LYS 41 -8.382 -3.997 -6.155 322 HG2 LYS 41 HG2 LYS 41 -7.514 -2.750 -4.271 323 HG3 LYS 41 HG3 LYS 41 -9.040 -1.902 -4.066 324 HD2 LYS 41 HD2 LYS 41 -8.957 -3.624 -2.432 325 HD3 LYS 41 HD3 LYS 41 -10.168 -4.083 -3.629 326 HE2 LYS 41 HE2 LYS 41 -8.534 -5.574 -4.708 327 HE3 LYS 41 HE3 LYS 41 -7.331 -5.140 -3.488 328 HZ1 LYS 41 HZ1 LYS 41 -9.953 -6.299 -2.897 329 HZ2 LYS 41 HZ2 LYS 41 -8.739 -6.003 -1.823 330 HZ3 LYS 41 HZ3 LYS 41 -8.540 -7.163 -2.974 331 H SER 42 H SER 42 -10.280 -1.734 -8.463 332 HA SER 42 HA SER 42 -9.237 -3.736 -10.294 333 HB2 SER 42 HB2 SER 42 -11.333 -1.572 -10.858 334 HB3 SER 42 HB3 SER 42 -10.980 -3.007 -11.881 335 HG SER 42 HG SER 42 -11.422 -4.101 -9.687 336 H LEU 43 H LEU 43 -9.023 -0.173 -10.038 337 HA LEU 43 HA LEU 43 -7.722 -0.042 -12.637 338 HB2 LEU 43 HB2 LEU 43 -7.920 1.980 -10.395 339 HB3 LEU 43 HB3 LEU 43 -7.268 2.310 -11.961 340 HG LEU 43 HG LEU 43 -10.139 1.595 -11.467 341 HD11 LEU 43 HD11 LEU 43 -10.675 3.841 -11.928 342 HD12 LEU 43 HD12 LEU 43 -8.961 4.225 -12.235 343 HD13 LEU 43 HD13 LEU 43 -9.529 3.839 -10.601 344 HD21 LEU 43 HD21 LEU 43 -8.681 2.496 -13.954 345 HD22 LEU 43 HD22 LEU 43 -9.440 0.916 -13.711 346 HD23 LEU 43 HD23 LEU 43 -10.448 2.343 -13.833 347 H PHE 44 H PHE 44 -6.881 -0.488 -9.297 348 HA PHE 44 HA PHE 44 -4.155 0.288 -9.563 349 HB2 PHE 44 HB2 PHE 44 -5.365 0.031 -7.388 350 HB3 PHE 44 HB3 PHE 44 -5.346 -1.712 -7.628 351 HD1 PHE 44 HD1 PHE 44 -3.253 1.244 -6.895 352 HD2 PHE 44 HD2 PHE 44 -3.377 -3.034 -7.382 353 HE1 PHE 44 HE1 PHE 44 -1.033 1.044 -5.822 354 HE2 PHE 44 HE2 PHE 44 -1.141 -3.275 -6.322 355 HZ PHE 44 HZ PHE 44 0.040 -1.214 -5.533 356 H VAL 45 H VAL 45 -5.689 -2.947 -9.817 357 HA VAL 45 HA VAL 45 -3.116 -4.178 -10.258 358 HB VAL 45 HB VAL 45 -4.401 -6.204 -10.967 359 HG11 VAL 45 HG11 VAL 45 -4.109 -5.600 -8.526 360 HG12 VAL 45 HG12 VAL 45 -5.482 -6.653 -8.855 361 HG13 VAL 45 HG13 VAL 45 -5.780 -4.947 -8.557 362 HG21 VAL 45 HG21 VAL 45 -6.869 -6.175 -11.047 363 HG22 VAL 45 HG22 VAL 45 -6.887 -4.449 -10.642 364 HG23 VAL 45 HG23 VAL 45 -6.211 -5.055 -12.194 365 H SER 46 H SER 46 -5.417 -2.534 -12.310 366 HA SER 46 HA SER 46 -4.299 -3.578 -14.801 367 HB2 SER 46 HB2 SER 46 -6.590 -2.658 -14.625 368 HB3 SER 46 HB3 SER 46 -5.919 -1.046 -14.270 369 HG SER 46 HG SER 46 -6.476 -1.519 -16.551 370 H ALA 47 H ALA 47 -3.871 -0.675 -12.769 371 HA ALA 47 HA ALA 47 -2.019 0.553 -14.592 372 HB1 ALA 47 HB1 ALA 47 -2.440 0.885 -11.590 373 HB2 ALA 47 HB2 ALA 47 -1.500 1.981 -12.581 374 HB3 ALA 47 HB3 ALA 47 -3.249 1.811 -12.843 375 H PHE 48 H PHE 48 -1.640 -1.871 -11.959 376 HA PHE 48 HA PHE 48 1.208 -1.503 -11.859 377 HB2 PHE 48 HB2 PHE 48 -0.097 -2.814 -10.102 378 HB3 PHE 48 HB3 PHE 48 -0.247 -4.096 -11.263 379 HD1 PHE 48 HD1 PHE 48 1.678 -5.547 -11.831 380 HD2 PHE 48 HD2 PHE 48 2.092 -2.279 -9.049 381 HE1 PHE 48 HE1 PHE 48 3.823 -6.507 -11.063 382 HE2 PHE 48 HE2 PHE 48 4.323 -3.119 -8.353 383 HZ PHE 48 HZ PHE 48 5.218 -5.303 -9.340 384 H GLU 49 H GLU 49 -0.908 -3.602 -13.861 385 HA GLU 49 HA GLU 49 1.389 -4.841 -15.100 386 HB2 GLU 49 HB2 GLU 49 -1.505 -4.556 -16.054 387 HB3 GLU 49 HB3 GLU 49 -0.251 -5.565 -16.863 388 HG2 GLU 49 HG2 GLU 49 0.025 -6.830 -14.775 389 HG3 GLU 49 HG3 GLU 49 -1.290 -5.931 -14.085 390 H THR 50 H THR 50 -0.381 -1.877 -15.642 391 HA THR 50 HA THR 50 0.654 -1.361 -18.269 392 HB THR 50 HB THR 50 -0.321 0.691 -16.132 393 HG1 THR 50 HG1 THR 50 -1.864 -0.870 -16.608 394 HG21 THR 50 HG21 THR 50 -0.851 2.069 -18.004 395 HG22 THR 50 HG22 THR 50 -0.197 0.930 -19.154 396 HG23 THR 50 HG23 THR 50 0.901 1.752 -17.998 397 H PHE 51 H PHE 51 1.724 -0.334 -14.935 398 HA PHE 51 HA PHE 51 3.959 1.091 -16.157 399 HB2 PHE 51 HB2 PHE 51 3.259 0.727 -13.261 400 HB3 PHE 51 HB3 PHE 51 4.635 1.613 -13.888 401 HD1 PHE 51 HD1 PHE 51 1.040 2.006 -13.249 402 HD2 PHE 51 HD2 PHE 51 4.454 3.534 -15.351 403 HE1 PHE 51 HE1 PHE 51 -0.085 4.096 -13.567 404 HE2 PHE 51 HE2 PHE 51 3.214 5.696 -15.664 405 HZ PHE 51 HZ PHE 51 0.889 5.974 -14.736 406 H ARG 52 H ARG 52 3.543 -2.171 -14.750 407 HA ARG 52 HA ARG 52 6.257 -2.374 -13.829 408 HB2 ARG 52 HB2 ARG 52 5.904 -4.677 -13.644 409 HB3 ARG 52 HB3 ARG 52 4.409 -3.919 -13.167 410 HG2 ARG 52 HG2 ARG 52 3.528 -4.449 -15.450 411 HG3 ARG 52 HG3 ARG 52 5.058 -5.266 -15.804 412 HD2 ARG 52 HD2 ARG 52 4.662 -6.788 -13.975 413 HD3 ARG 52 HD3 ARG 52 3.083 -6.058 -13.646 414 HE ARG 52 HE ARG 52 3.202 -6.720 -16.394 415 HH11 ARG 52 HH11 ARG 52 3.144 -8.488 -13.264 416 HH12 ARG 52 HH12 ARG 52 2.210 -9.789 -13.951 417 HH21 ARG 52 HH21 ARG 52 2.078 -8.467 -17.147 418 HH22 ARG 52 HH22 ARG 52 1.600 -9.786 -16.107 419 H GLU 53 H GLU 53 4.910 -2.723 -17.098 420 HA GLU 53 HA GLU 53 7.179 -4.082 -18.138 421 HB2 GLU 53 HB2 GLU 53 6.198 -3.718 -20.283 422 HB3 GLU 53 HB3 GLU 53 4.900 -4.147 -19.153 423 HG2 GLU 53 HG2 GLU 53 4.348 -1.771 -18.954 424 HG3 GLU 53 HG3 GLU 53 5.606 -1.372 -20.142 425 H GLU 54 H GLU 54 6.602 -0.832 -17.356 426 HA GLU 54 HA GLU 54 8.474 0.423 -19.077 427 HB2 GLU 54 HB2 GLU 54 7.503 1.189 -16.373 428 HB3 GLU 54 HB3 GLU 54 8.367 2.275 -17.450 429 HG2 GLU 54 HG2 GLU 54 5.690 1.034 -17.918 430 HG3 GLU 54 HG3 GLU 54 5.963 2.679 -17.427 431 H SER 55 H SER 55 8.924 -1.690 -16.382 432 HA SER 55 HA SER 55 11.801 -0.972 -16.435 433 HB2 SER 55 HB2 SER 55 10.954 -0.031 -14.393 434 HB3 SER 55 HB3 SER 55 10.245 -1.560 -13.901 435 HG SER 55 HG SER 55 12.669 -0.735 -13.391 436 H LEU 56 H LEU 56 13.178 -2.646 -16.708 437 HA LEU 56 HA LEU 56 12.142 -5.267 -17.394 438 HB2 LEU 56 HB2 LEU 56 14.224 -4.155 -18.146 439 HB3 LEU 56 HB3 LEU 56 14.942 -4.423 -16.557 440 HG LEU 56 HG LEU 56 15.795 -5.888 -18.329 441 HD11 LEU 56 HD11 LEU 56 15.878 -7.948 -17.167 442 HD12 LEU 56 HD12 LEU 56 14.275 -7.697 -16.414 443 HD13 LEU 56 HD13 LEU 56 15.641 -6.700 -15.877 444 HD21 LEU 56 HD21 LEU 56 13.071 -7.162 -18.445 445 HD22 LEU 56 HD22 LEU 56 13.683 -6.003 -19.614 446 HD23 LEU 56 HD23 LEU 56 14.521 -7.571 -19.384 447 H VAL 57 H VAL 57 13.389 -3.807 -14.487 448 HA VAL 57 HA VAL 57 13.873 -6.123 -12.937 449 HB VAL 57 HB VAL 57 13.078 -3.328 -12.074 450 HG11 VAL 57 HG11 VAL 57 14.240 -3.859 -9.965 451 HG12 VAL 57 HG12 VAL 57 12.811 -4.874 -10.172 452 HG13 VAL 57 HG13 VAL 57 14.462 -5.550 -10.508 453 HG21 VAL 57 HG21 VAL 57 15.063 -3.250 -13.443 454 HG22 VAL 57 HG22 VAL 57 15.554 -3.013 -11.787 455 HG23 VAL 57 HG23 VAL 57 15.786 -4.612 -12.565 456 H CYS 58 H CYS 58 10.912 -4.191 -13.365 457 HA CYS 58 HA CYS 58 9.471 -6.059 -11.546 458 HB2 CYS 58 HB2 CYS 58 8.688 -3.354 -12.695 459 HB3 CYS 58 HB3 CYS 58 7.758 -4.293 -11.521 460 HG CYS 58 HG CYS 58 9.647 -4.396 -9.701 461 H LYS 59 H LYS 59 9.921 -5.837 -14.888 462 HA LYS 59 HA LYS 59 7.249 -5.857 -15.866 463 HB2 LYS 59 HB2 LYS 59 9.265 -5.502 -17.172 464 HB3 LYS 59 HB3 LYS 59 9.699 -7.235 -17.064 465 HG2 LYS 59 HG2 LYS 59 7.897 -7.877 -18.406 466 HG3 LYS 59 HG3 LYS 59 7.065 -6.328 -18.240 467 HD2 LYS 59 HD2 LYS 59 8.089 -6.385 -20.442 468 HD3 LYS 59 HD3 LYS 59 8.995 -5.246 -19.462 469 HE2 LYS 59 HE2 LYS 59 10.772 -6.957 -19.078 470 HE3 LYS 59 HE3 LYS 59 9.854 -8.057 -20.146 471 HZ1 LYS 59 HZ1 LYS 59 10.039 -6.351 -21.919 472 HZ2 LYS 59 HZ2 LYS 59 11.562 -6.796 -21.347 473 HZ3 LYS 59 HZ3 LYS 59 10.875 -5.353 -20.865 474 H ASP 60 H ASP 60 9.008 -8.701 -14.528 475 HA ASP 60 HA ASP 60 6.633 -10.333 -15.292 476 HB2 ASP 60 HB2 ASP 60 9.381 -11.125 -14.304 477 HB3 ASP 60 HB3 ASP 60 8.069 -12.271 -14.616 478 H ALA 61 H ALA 61 7.253 -8.333 -12.798 479 HA ALA 61 HA ALA 61 7.121 -10.061 -10.562 480 HB1 ALA 61 HB1 ALA 61 6.319 -7.113 -10.789 481 HB2 ALA 61 HB2 ALA 61 7.924 -7.721 -10.389 482 HB3 ALA 61 HB3 ALA 61 6.584 -8.015 -9.275 483 H ILE 62 H ILE 62 5.452 -10.838 -9.372 484 HA ILE 62 HA ILE 62 2.713 -10.713 -10.564 485 HB ILE 62 HB ILE 62 3.865 -12.225 -8.097 486 HG12 ILE 62 HG12 ILE 62 3.229 -13.322 -10.854 487 HG13 ILE 62 HG13 ILE 62 4.851 -12.822 -10.380 488 HG21 ILE 62 HG21 ILE 62 1.200 -12.539 -9.578 489 HG22 ILE 62 HG22 ILE 62 1.821 -13.618 -8.296 490 HG23 ILE 62 HG23 ILE 62 1.453 -11.959 -7.881 491 HD11 ILE 62 HD11 ILE 62 4.861 -14.530 -8.549 492 HD12 ILE 62 HD12 ILE 62 4.563 -15.289 -10.125 493 HD13 ILE 62 HD13 ILE 62 3.232 -15.064 -9.012 494 H LEU 63 H LEU 63 1.189 -9.390 -9.654 495 HA LEU 63 HA LEU 63 1.881 -8.032 -7.099 496 HB2 LEU 63 HB2 LEU 63 1.560 -6.680 -9.056 497 HB3 LEU 63 HB3 LEU 63 -0.075 -7.305 -9.310 498 HG LEU 63 HG LEU 63 -0.004 -4.963 -8.458 499 HD11 LEU 63 HD11 LEU 63 -1.847 -6.635 -7.845 500 HD12 LEU 63 HD12 LEU 63 -1.778 -5.068 -7.055 501 HD13 LEU 63 HD13 LEU 63 -1.225 -6.473 -6.194 502 HD21 LEU 63 HD21 LEU 63 2.058 -5.216 -7.108 503 HD22 LEU 63 HD22 LEU 63 0.721 -4.495 -6.170 504 HD23 LEU 63 HD23 LEU 63 1.132 -6.158 -5.891 505 H ASP 64 H ASP 64 0.715 -8.318 -5.269 506 HA ASP 64 HA ASP 64 -1.971 -9.622 -5.497 507 HB2 ASP 64 HB2 ASP 64 -0.122 -11.335 -5.100 508 HB3 ASP 64 HB3 ASP 64 0.196 -10.480 -3.554 509 H ILE 65 H ILE 65 -3.386 -8.452 -4.371 510 HA ILE 65 HA ILE 65 -2.360 -6.376 -2.532 511 HB ILE 65 HB ILE 65 -5.177 -6.904 -3.538 512 HG12 ILE 65 HG12 ILE 65 -3.209 -4.710 -4.395 513 HG13 ILE 65 HG13 ILE 65 -3.461 -6.211 -5.311 514 HG21 ILE 65 HG21 ILE 65 -5.345 -5.729 -1.413 515 HG22 ILE 65 HG22 ILE 65 -5.593 -4.506 -2.654 516 HG23 ILE 65 HG23 ILE 65 -4.029 -4.618 -1.862 517 HD11 ILE 65 HD11 ILE 65 -5.456 -4.020 -4.779 518 HD12 ILE 65 HD12 ILE 65 -5.839 -5.538 -5.611 519 HD13 ILE 65 HD13 ILE 65 -4.654 -4.438 -6.306 520 H VAL 66 H VAL 66 -2.485 -6.500 -0.405 521 HA VAL 66 HA VAL 66 -4.336 -8.458 0.882 522 HB VAL 66 HB VAL 66 -1.896 -7.005 2.004 523 HG11 VAL 66 HG11 VAL 66 -3.572 -7.326 3.745 524 HG12 VAL 66 HG12 VAL 66 -2.242 -8.456 4.022 525 HG13 VAL 66 HG13 VAL 66 -3.755 -9.046 3.306 526 HG21 VAL 66 HG21 VAL 66 -2.287 -9.957 1.303 527 HG22 VAL 66 HG22 VAL 66 -0.869 -9.265 2.116 528 HG23 VAL 66 HG23 VAL 66 -1.259 -8.774 0.427 529 H ASP 67 H ASP 67 -6.120 -7.633 1.712 530 HA ASP 67 HA ASP 67 -6.500 -4.724 1.713 531 HB2 ASP 67 HB2 ASP 67 -8.255 -7.002 2.599 532 HB3 ASP 67 HB3 ASP 67 -8.739 -5.269 2.620 533 H GLU 68 H GLU 68 -6.010 -3.414 3.386 534 HA GLU 68 HA GLU 68 -5.562 -4.698 6.026 535 HB2 GLU 68 HB2 GLU 68 -4.437 -2.092 4.981 536 HB3 GLU 68 HB3 GLU 68 -4.179 -2.751 6.588 537 HG2 GLU 68 HG2 GLU 68 -3.144 -4.753 5.589 538 HG3 GLU 68 HG3 GLU 68 -3.282 -4.039 4.000 539 H LYS 69 H LYS 69 -6.468 -4.028 7.825 540 HA LYS 69 HA LYS 69 -8.838 -2.307 7.659 541 HB2 LYS 69 HB2 LYS 69 -7.309 -3.671 9.928 542 HB3 LYS 69 HB3 LYS 69 -8.608 -2.508 10.242 543 HG2 LYS 69 HG2 LYS 69 -9.560 -4.665 10.506 544 HG3 LYS 69 HG3 LYS 69 -10.239 -3.867 9.082 545 HD2 LYS 69 HD2 LYS 69 -8.809 -5.206 7.581 546 HD3 LYS 69 HD3 LYS 69 -8.079 -5.984 9.003 547 HE2 LYS 69 HE2 LYS 69 -9.738 -7.462 8.075 548 HE3 LYS 69 HE3 LYS 69 -10.255 -6.898 9.661 549 HZ1 LYS 69 HZ1 LYS 69 -11.720 -5.353 8.588 550 HZ2 LYS 69 HZ2 LYS 69 -12.017 -6.818 7.905 551 HZ3 LYS 69 HZ3 LYS 69 -11.136 -5.675 7.077 552 H VAL 70 H VAL 70 -8.954 -0.255 8.460 553 HA VAL 70 HA VAL 70 -6.649 1.438 8.272 554 HB VAL 70 HB VAL 70 -8.150 3.299 8.937 555 HG11 VAL 70 HG11 VAL 70 -9.615 3.204 7.115 556 HG12 VAL 70 HG12 VAL 70 -9.658 1.400 7.084 557 HG13 VAL 70 HG13 VAL 70 -8.157 2.306 6.656 558 HG21 VAL 70 HG21 VAL 70 -10.488 2.902 9.450 559 HG22 VAL 70 HG22 VAL 70 -10.197 1.132 9.485 560 HG23 VAL 70 HG23 VAL 70 -9.455 2.216 10.717 561 H GLU 71 H GLU 71 -5.802 2.990 9.798 562 HA GLU 71 HA GLU 71 -5.997 2.195 12.678 563 HB2 GLU 71 HB2 GLU 71 -3.690 1.752 11.837 564 HB3 GLU 71 HB3 GLU 71 -3.612 3.430 11.273 565 HG2 GLU 71 HG2 GLU 71 -3.877 4.205 13.640 566 HG3 GLU 71 HG3 GLU 71 -3.939 2.495 14.125 567 H LEU 72 H LEU 72 -6.405 4.011 14.022 568 HA LEU 72 HA LEU 72 -7.114 6.483 12.468 569 HB2 LEU 72 HB2 LEU 72 -8.543 5.276 14.864 570 HB3 LEU 72 HB3 LEU 72 -8.989 6.757 14.079 571 HG LEU 72 HG LEU 72 -9.062 3.996 12.742 572 HD11 LEU 72 HD11 LEU 72 -11.312 5.791 13.845 573 HD12 LEU 72 HD12 LEU 72 -11.530 4.217 13.005 574 HD13 LEU 72 HD13 LEU 72 -10.729 4.249 14.633 575 HD21 LEU 72 HD21 LEU 72 -8.798 5.797 11.082 576 HD22 LEU 72 HD22 LEU 72 -10.081 6.715 11.833 577 HD23 LEU 72 HD23 LEU 72 -10.485 5.172 11.044 578 H GLU 73 H GLU 73 -6.740 8.414 13.281 579 HA GLU 73 HA GLU 73 -5.555 8.656 16.014 580 HB2 GLU 73 HB2 GLU 73 -3.781 8.850 14.241 581 HB3 GLU 73 HB3 GLU 73 -4.713 10.165 13.507 582 HG2 GLU 73 HG2 GLU 73 -4.432 11.444 15.597 583 HG3 GLU 73 HG3 GLU 73 -3.457 10.139 16.281 584 H CYS 74 H CYS 74 -6.271 10.495 17.110 585 HA CYS 74 HA CYS 74 -8.691 11.733 15.896 586 HB2 CYS 74 HB2 CYS 74 -8.834 10.369 18.061 587 HB3 CYS 74 HB3 CYS 74 -7.734 11.523 18.831 588 H LYS 75 H LYS 75 -8.760 14.013 15.917 589 HA LYS 75 HA LYS 75 -6.216 15.415 15.674 590 HB2 LYS 75 HB2 LYS 75 -9.096 16.479 15.996 591 HB3 LYS 75 HB3 LYS 75 -7.670 17.477 15.650 592 HG2 LYS 75 HG2 LYS 75 -7.231 16.037 13.598 593 HG3 LYS 75 HG3 LYS 75 -8.663 15.109 14.005 594 HD2 LYS 75 HD2 LYS 75 -9.265 16.556 12.259 595 HD3 LYS 75 HD3 LYS 75 -10.009 17.213 13.738 596 HE2 LYS 75 HE2 LYS 75 -8.183 18.893 13.855 597 HE3 LYS 75 HE3 LYS 75 -7.441 18.148 12.431 598 HZ1 LYS 75 HZ1 LYS 75 -10.054 19.455 12.504 599 HZ2 LYS 75 HZ2 LYS 75 -9.487 18.650 11.202 600 HZ3 LYS 75 HZ3 LYS 75 -8.741 19.998 11.749 601 H ASP 76 H ASP 76 -5.256 16.717 17.329 602 HA ASP 76 HA ASP 76 -4.515 14.837 18.967 603 HB2 ASP 76 HB2 ASP 76 -3.328 16.489 20.368 604 HB3 ASP 76 HB3 ASP 76 -3.329 16.879 18.651 605 H CYS 77 H CYS 77 -5.527 13.649 19.852 606 HA CYS 77 HA CYS 77 -6.339 13.654 22.619 607 HB2 CYS 77 HB2 CYS 77 -8.415 14.237 21.270 608 HB3 CYS 77 HB3 CYS 77 -8.080 12.851 20.223 609 H SER 78 H SER 78 -4.226 12.619 22.435 610 HA SER 78 HA SER 78 -3.574 10.617 20.518 611 HB2 SER 78 HB2 SER 78 -2.436 11.041 23.286 612 HB3 SER 78 HB3 SER 78 -1.638 10.128 21.984 613 HG SER 78 HG SER 78 -0.888 12.256 22.037 614 H HIS 79 H HIS 79 -4.648 8.920 20.136 615 HA HIS 79 HA HIS 79 -5.090 6.992 22.413 616 HB2 HIS 79 HB2 HIS 79 -7.367 6.677 21.836 617 HB3 HIS 79 HB3 HIS 79 -7.210 8.433 21.789 618 HD1 HIS 79 HD1 HIS 79 -6.676 9.291 19.041 619 HD2 HIS 79 HD2 HIS 79 -8.554 5.580 19.692 620 HE1 HIS 79 HE1 HIS 79 -7.767 8.567 16.827 621 HE2 HIS 79 HE2 HIS 79 -8.896 6.377 17.249 622 H VAL 80 H VAL 80 -3.305 7.004 19.794 623 HA VAL 80 HA VAL 80 -4.931 5.683 17.826 624 HB VAL 80 HB VAL 80 -1.870 5.937 18.020 625 HG11 VAL 80 HG11 VAL 80 -1.878 5.754 15.545 626 HG12 VAL 80 HG12 VAL 80 -3.617 5.503 15.581 627 HG13 VAL 80 HG13 VAL 80 -2.515 4.286 16.288 628 HG21 VAL 80 HG21 VAL 80 -3.899 7.735 16.742 629 HG22 VAL 80 HG22 VAL 80 -2.139 7.908 16.540 630 HG23 VAL 80 HG23 VAL 80 -2.892 8.118 18.133 631 H PHE 81 H PHE 81 -5.260 3.790 17.209 632 HA PHE 81 HA PHE 81 -3.763 1.382 18.005 633 HB2 PHE 81 HB2 PHE 81 -5.621 0.397 19.194 634 HB3 PHE 81 HB3 PHE 81 -5.351 1.980 19.959 635 HD1 PHE 81 HD1 PHE 81 -7.784 -0.257 18.882 636 HD2 PHE 81 HD2 PHE 81 -6.864 3.930 18.629 637 HE1 PHE 81 HE1 PHE 81 -10.214 0.276 18.585 638 HE2 PHE 81 HE2 PHE 81 -9.265 4.438 18.216 639 HZ PHE 81 HZ PHE 81 -10.920 2.612 18.176 640 H LYS 82 H LYS 82 -4.982 -0.565 17.046 641 HA LYS 82 HA LYS 82 -6.156 0.297 14.441 642 HB2 LYS 82 HB2 LYS 82 -5.132 -2.335 15.523 643 HB3 LYS 82 HB3 LYS 82 -6.052 -2.248 14.038 644 HG2 LYS 82 HG2 LYS 82 -3.830 -2.414 13.365 645 HG3 LYS 82 HG3 LYS 82 -4.294 -0.745 13.044 646 HD2 LYS 82 HD2 LYS 82 -3.130 0.013 15.058 647 HD3 LYS 82 HD3 LYS 82 -2.651 -1.656 15.454 648 HE2 LYS 82 HE2 LYS 82 -1.401 -1.793 13.335 649 HE3 LYS 82 HE3 LYS 82 -1.862 -0.091 13.011 650 HZ1 LYS 82 HZ1 LYS 82 -0.481 -0.799 15.444 651 HZ2 LYS 82 HZ2 LYS 82 -0.640 0.672 14.790 652 HZ3 LYS 82 HZ3 LYS 82 0.346 -0.475 14.077 653 HA PRO 83 HA PRO 83 -9.952 -0.678 16.738 654 HB2 PRO 83 HB2 PRO 83 -11.828 0.064 14.928 655 HB3 PRO 83 HB3 PRO 83 -10.916 1.281 15.889 656 HG2 PRO 83 HG2 PRO 83 -10.329 0.211 13.097 657 HG3 PRO 83 HG3 PRO 83 -10.517 1.925 13.617 658 HD2 PRO 83 HD2 PRO 83 -8.073 0.791 13.449 659 HD3 PRO 83 HD3 PRO 83 -8.423 1.856 14.815 660 H ASN 84 H ASN 84 -11.425 -2.379 16.827 661 HA ASN 84 HA ASN 84 -11.171 -4.350 14.590 662 HB2 ASN 84 HB2 ASN 84 -11.679 -4.818 17.547 663 HB3 ASN 84 HB3 ASN 84 -11.641 -6.099 16.340 664 HD21 ASN 84 HD21 ASN 84 -9.557 -5.830 14.880 665 HD22 ASN 84 HD22 ASN 84 -8.090 -5.791 15.853 666 H ALA 85 H ALA 85 -13.211 -2.075 15.677 667 HA ALA 85 HA ALA 85 -15.660 -3.769 15.479 668 HB1 ALA 85 HB1 ALA 85 -15.085 -2.902 17.781 669 HB2 ALA 85 HB2 ALA 85 -16.641 -2.408 17.220 670 HB3 ALA 85 HB3 ALA 85 -15.294 -1.275 17.180 671 H LEU 86 H LEU 86 -17.593 -2.263 15.146 672 HA LEU 86 HA LEU 86 -17.113 -0.958 12.583 673 HB2 LEU 86 HB2 LEU 86 -19.620 -1.273 14.232 674 HB3 LEU 86 HB3 LEU 86 -19.551 -0.700 12.572 675 HG LEU 86 HG LEU 86 -18.767 -3.489 13.436 676 HD11 LEU 86 HD11 LEU 86 -21.174 -3.175 13.680 677 HD12 LEU 86 HD12 LEU 86 -20.859 -4.188 12.256 678 HD13 LEU 86 HD13 LEU 86 -21.246 -2.456 12.078 679 HD21 LEU 86 HD21 LEU 86 -19.009 -2.254 10.685 680 HD22 LEU 86 HD22 LEU 86 -18.899 -3.990 10.972 681 HD23 LEU 86 HD23 LEU 86 -17.560 -2.909 11.434 682 H ASP 87 H ASP 87 -16.315 0.132 15.367 683 HA ASP 87 HA ASP 87 -17.703 2.673 15.527 684 HB2 ASP 87 HB2 ASP 87 -16.353 3.044 17.528 685 HB3 ASP 87 HB3 ASP 87 -17.043 1.424 17.572 686 H TYR 88 H TYR 88 -15.958 1.789 13.157 687 HA TYR 88 HA TYR 88 -13.618 3.369 13.063 688 HB2 TYR 88 HB2 TYR 88 -15.609 2.721 10.790 689 HB3 TYR 88 HB3 TYR 88 -13.960 3.304 10.560 690 HD1 TYR 88 HD1 TYR 88 -12.030 1.793 11.363 691 HD2 TYR 88 HD2 TYR 88 -16.049 0.363 10.928 692 HE1 TYR 88 HE1 TYR 88 -11.188 -0.556 11.214 693 HE2 TYR 88 HE2 TYR 88 -15.209 -1.992 10.786 694 HH TYR 88 HH TYR 88 -13.447 -3.332 10.743 695 H GLY 89 H GLY 89 -13.250 5.449 12.454 696 HA2 GLY 89 HA2 GLY 89 -13.789 7.577 11.686 697 HA3 GLY 89 HA3 GLY 89 -15.504 7.213 11.668 698 H VAL 90 H VAL 90 -14.353 6.288 14.669 699 HA VAL 90 HA VAL 90 -14.455 9.058 15.754 700 HB VAL 90 HB VAL 90 -15.767 8.316 17.735 701 HG11 VAL 90 HG11 VAL 90 -17.135 7.971 15.034 702 HG12 VAL 90 HG12 VAL 90 -17.956 8.235 16.616 703 HG13 VAL 90 HG13 VAL 90 -16.871 9.508 15.916 704 HG21 VAL 90 HG21 VAL 90 -15.309 5.805 17.411 705 HG22 VAL 90 HG22 VAL 90 -16.911 6.308 17.866 706 HG23 VAL 90 HG23 VAL 90 -16.530 5.828 16.186 707 H CYS 91 H CYS 91 -13.593 9.088 17.882 708 HA CYS 91 HA CYS 91 -11.110 7.515 18.179 709 HB2 CYS 91 HB2 CYS 91 -11.301 9.999 18.550 710 HB3 CYS 91 HB3 CYS 91 -12.425 9.647 19.908 711 H GLU 92 H GLU 92 -10.688 6.542 20.473 712 HA GLU 92 HA GLU 92 -13.240 5.541 21.587 713 HB2 GLU 92 HB2 GLU 92 -12.219 3.556 22.375 714 HB3 GLU 92 HB3 GLU 92 -11.971 3.704 20.644 715 HG2 GLU 92 HG2 GLU 92 -9.616 4.381 21.141 716 HG3 GLU 92 HG3 GLU 92 -9.951 4.224 22.862 717 H LYS 93 H LYS 93 -10.502 7.516 22.082 718 HA LYS 93 HA LYS 93 -10.345 7.331 24.960 719 HB2 LYS 93 HB2 LYS 93 -8.617 8.196 23.362 720 HB3 LYS 93 HB3 LYS 93 -9.616 9.595 23.143 721 HG2 LYS 93 HG2 LYS 93 -7.943 10.230 24.611 722 HG3 LYS 93 HG3 LYS 93 -9.427 10.030 25.581 723 HD2 LYS 93 HD2 LYS 93 -8.673 7.760 26.191 724 HD3 LYS 93 HD3 LYS 93 -7.190 8.063 25.222 725 HE2 LYS 93 HE2 LYS 93 -6.630 10.003 26.581 726 HE3 LYS 93 HE3 LYS 93 -8.085 9.750 27.558 727 HZ1 LYS 93 HZ1 LYS 93 -7.169 7.717 28.349 728 HZ2 LYS 93 HZ2 LYS 93 -5.980 8.827 28.507 729 HZ3 LYS 93 HZ3 LYS 93 -5.918 7.731 27.274 730 H CYS 94 H CYS 94 -12.014 9.064 22.651 731 HA CYS 94 HA CYS 94 -14.089 10.122 24.430 732 HB2 CYS 94 HB2 CYS 94 -14.221 12.211 23.163 733 HB3 CYS 94 HB3 CYS 94 -12.578 12.071 23.732 734 H HIS 95 H HIS 95 -16.089 10.189 22.736 735 HA HIS 95 HA HIS 95 -15.365 8.220 20.581 736 HB2 HIS 95 HB2 HIS 95 -18.014 8.364 22.058 737 HB3 HIS 95 HB3 HIS 95 -17.663 7.358 20.631 738 HD1 HIS 95 HD1 HIS 95 -17.216 7.432 24.374 739 HD2 HIS 95 HD2 HIS 95 -15.778 5.295 21.059 740 HE1 HIS 95 HE1 HIS 95 -16.126 5.344 25.286 741 HE2 HIS 95 HE2 HIS 95 -15.220 4.049 23.267 742 H SER 96 H SER 96 -15.200 11.029 20.700 743 HA SER 96 HA SER 96 -17.442 12.058 19.152 744 HB2 SER 96 HB2 SER 96 -14.718 13.237 19.836 745 HB3 SER 96 HB3 SER 96 -16.033 14.129 19.076 746 HG SER 96 HG SER 96 -15.756 14.233 21.492 747 H LYS 97 H LYS 97 -17.275 13.018 17.132 748 HA LYS 97 HA LYS 97 -15.643 11.500 15.157 749 HB2 LYS 97 HB2 LYS 97 -17.628 13.826 14.940 750 HB3 LYS 97 HB3 LYS 97 -16.878 13.028 13.573 751 HG2 LYS 97 HG2 LYS 97 -17.924 10.885 14.241 752 HG3 LYS 97 HG3 LYS 97 -18.711 11.736 15.585 753 HD2 LYS 97 HD2 LYS 97 -20.379 11.543 13.868 754 HD3 LYS 97 HD3 LYS 97 -19.822 13.233 13.936 755 HE2 LYS 97 HE2 LYS 97 -18.342 12.853 11.961 756 HE3 LYS 97 HE3 LYS 97 -18.927 11.172 11.878 757 HZ1 LYS 97 HZ1 LYS 97 -21.128 12.129 11.537 758 HZ2 LYS 97 HZ2 LYS 97 -20.080 12.573 10.355 759 HZ3 LYS 97 HZ3 LYS 97 -20.500 13.642 11.543 760 H ASN 98 H ASN 98 -14.432 12.812 13.605 761 HA ASN 98 HA ASN 98 -13.048 14.576 12.918 762 HB2 ASN 98 HB2 ASN 98 -12.777 15.524 15.768 763 HB3 ASN 98 HB3 ASN 98 -11.958 16.166 14.344 764 HD21 ASN 98 HD21 ASN 98 -13.882 17.413 16.234 765 HD22 ASN 98 HD22 ASN 98 -15.200 18.021 15.233 766 H VAL 99 H VAL 99 -12.424 12.102 12.968 767 HA VAL 99 HA VAL 99 -9.698 12.006 14.184 768 HB VAL 99 HB VAL 99 -9.872 9.532 14.030 769 HG11 VAL 99 HG11 VAL 99 -11.315 9.133 15.933 770 HG12 VAL 99 HG12 VAL 99 -10.626 10.744 16.124 771 HG13 VAL 99 HG13 VAL 99 -12.295 10.575 15.530 772 HG21 VAL 99 HG21 VAL 99 -12.756 9.941 13.277 773 HG22 VAL 99 HG22 VAL 99 -11.476 9.403 12.169 774 HG23 VAL 99 HG23 VAL 99 -11.961 8.391 13.534 775 H ILE 100 H ILE 100 -8.200 10.827 12.769 776 HA ILE 100 HA ILE 100 -8.890 11.179 9.900 777 HB ILE 100 HB ILE 100 -6.630 12.021 9.461 778 HG12 ILE 100 HG12 ILE 100 -6.246 12.066 12.480 779 HG13 ILE 100 HG13 ILE 100 -5.544 10.845 11.384 780 HG21 ILE 100 HG21 ILE 100 -7.919 13.708 11.680 781 HG22 ILE 100 HG22 ILE 100 -8.537 13.664 10.008 782 HG23 ILE 100 HG23 ILE 100 -6.904 14.311 10.355 783 HD11 ILE 100 HD11 ILE 100 -4.954 13.809 11.323 784 HD12 ILE 100 HD12 ILE 100 -3.886 12.548 12.004 785 HD13 ILE 100 HD13 ILE 100 -4.242 12.589 10.263 786 H ILE 101 H ILE 101 -7.485 9.887 8.528 787 HA ILE 101 HA ILE 101 -7.004 7.291 9.876 788 HB ILE 101 HB ILE 101 -7.291 7.989 6.914 789 HG12 ILE 101 HG12 ILE 101 -9.305 6.583 8.737 790 HG13 ILE 101 HG13 ILE 101 -9.400 8.283 8.338 791 HG21 ILE 101 HG21 ILE 101 -7.239 5.310 8.367 792 HG22 ILE 101 HG22 ILE 101 -5.943 5.972 7.361 793 HG23 ILE 101 HG23 ILE 101 -7.474 5.531 6.615 794 HD11 ILE 101 HD11 ILE 101 -9.639 5.971 6.370 795 HD12 ILE 101 HD12 ILE 101 -9.638 7.699 5.935 796 HD13 ILE 101 HD13 ILE 101 -10.962 7.037 6.938 797 H THR 102 H THR 102 -5.026 6.632 10.266 798 HA THR 102 HA THR 102 -2.824 8.155 8.954 799 HB THR 102 HB THR 102 -1.431 7.322 10.731 800 HG1 THR 102 HG1 THR 102 -2.143 5.809 12.104 801 HG21 THR 102 HG21 THR 102 -4.017 8.352 11.924 802 HG22 THR 102 HG22 THR 102 -2.854 9.398 11.048 803 HG23 THR 102 HG23 THR 102 -2.380 8.560 12.552 804 H GLN 103 H GLN 103 -4.228 5.000 9.100 805 HA GLN 103 HA GLN 103 -2.196 4.105 7.143 806 HB2 GLN 103 HB2 GLN 103 -3.106 2.458 9.493 807 HB3 GLN 103 HB3 GLN 103 -2.154 1.902 8.169 808 HG2 GLN 103 HG2 GLN 103 -0.379 3.567 8.813 809 HG3 GLN 103 HG3 GLN 103 -1.375 3.944 10.240 810 HE21 GLN 103 HE21 GLN 103 1.351 2.484 9.485 811 HE22 GLN 103 HE22 GLN 103 1.325 1.042 10.446 812 H GLY 104 H GLY 104 -3.163 2.702 5.602 813 HA2 GLY 104 HA2 GLY 104 -4.884 1.405 4.682 814 HA3 GLY 104 HA3 GLY 104 -5.909 1.747 6.087 815 H ASN 105 H ASN 105 -4.547 4.589 4.682 816 HA ASN 105 HA ASN 105 -7.236 5.304 3.546 817 HB2 ASN 105 HB2 ASN 105 -6.023 6.871 5.059 818 HB3 ASN 105 HB3 ASN 105 -4.791 7.010 3.830 819 HD21 ASN 105 HD21 ASN 105 -5.021 8.879 2.900 820 HD22 ASN 105 HD22 ASN 105 -6.504 9.575 2.265 821 H GLU 106 H GLU 106 -3.917 4.445 2.724 822 HA GLU 106 HA GLU 106 -4.570 4.515 -0.187 823 HB2 GLU 106 HB2 GLU 106 -2.064 5.714 1.067 824 HB3 GLU 106 HB3 GLU 106 -2.342 5.475 -0.676 825 HG2 GLU 106 HG2 GLU 106 -4.217 7.009 -0.692 826 HG3 GLU 106 HG3 GLU 106 -4.027 7.280 1.029 827 H MET 107 H MET 107 -1.311 3.928 0.102 828 HA MET 107 HA MET 107 -1.669 0.961 0.346 829 HB2 MET 107 HB2 MET 107 -1.718 1.892 -2.050 830 HB3 MET 107 HB3 MET 107 -0.164 2.618 -1.737 831 HG2 MET 107 HG2 MET 107 0.769 0.327 -1.339 832 HG3 MET 107 HG3 MET 107 -0.800 -0.324 -1.794 833 HE1 MET 107 HE1 MET 107 2.381 1.830 -4.272 834 HE2 MET 107 HE2 MET 107 2.579 1.014 -2.691 835 HE3 MET 107 HE3 MET 107 1.651 2.516 -2.779 836 H ARG 108 H ARG 108 0.227 -0.243 0.966 837 HA ARG 108 HA ARG 108 2.796 1.215 1.194 838 HB2 ARG 108 HB2 ARG 108 1.569 1.448 3.369 839 HB3 ARG 108 HB3 ARG 108 1.601 -0.325 3.537 840 HG2 ARG 108 HG2 ARG 108 4.146 -0.168 3.570 841 HG3 ARG 108 HG3 ARG 108 3.959 1.598 3.513 842 HD2 ARG 108 HD2 ARG 108 2.898 -0.205 5.717 843 HD3 ARG 108 HD3 ARG 108 4.334 0.839 5.813 844 HE ARG 108 HE ARG 108 2.853 2.739 5.821 845 HH11 ARG 108 HH11 ARG 108 1.000 3.732 6.360 846 HH12 ARG 108 HH12 ARG 108 -0.440 2.738 6.643 847 HH21 ARG 108 HH21 ARG 108 0.977 -0.295 5.930 848 HH22 ARG 108 HH22 ARG 108 -0.479 0.605 6.228 849 H LEU 109 H LEU 109 4.572 -0.214 0.813 850 HA LEU 109 HA LEU 109 4.042 -2.862 -0.310 851 HB2 LEU 109 HB2 LEU 109 6.619 -1.537 0.627 852 HB3 LEU 109 HB3 LEU 109 6.553 -3.134 -0.075 853 HG LEU 109 HG LEU 109 5.761 -0.679 -1.641 854 HD11 LEU 109 HD11 LEU 109 8.086 -0.506 -0.968 855 HD12 LEU 109 HD12 LEU 109 7.975 -0.898 -2.728 856 HD13 LEU 109 HD13 LEU 109 8.384 -2.166 -1.568 857 HD21 LEU 109 HD21 LEU 109 6.246 -2.365 -3.499 858 HD22 LEU 109 HD22 LEU 109 6.295 -3.600 -2.244 859 HD23 LEU 109 HD23 LEU 109 4.813 -2.665 -2.522 860 H LEU 110 H LEU 110 4.154 -4.889 0.675 861 HA LEU 110 HA LEU 110 4.711 -4.791 3.600 862 HB2 LEU 110 HB2 LEU 110 3.201 -6.850 2.056 863 HB3 LEU 110 HB3 LEU 110 3.473 -6.861 3.798 864 HG LEU 110 HG LEU 110 1.887 -4.743 2.270 865 HD11 LEU 110 HD11 LEU 110 0.950 -7.110 4.019 866 HD12 LEU 110 HD12 LEU 110 0.734 -6.988 2.267 867 HD13 LEU 110 HD13 LEU 110 -0.082 -5.882 3.339 868 HD21 LEU 110 HD21 LEU 110 2.135 -5.251 5.227 869 HD22 LEU 110 HD22 LEU 110 1.117 -4.029 4.429 870 HD23 LEU 110 HD23 LEU 110 2.907 -3.925 4.326 871 H SER 111 H SER 111 5.367 -6.879 0.758 872 HA SER 111 HA SER 111 8.027 -7.534 1.803 873 HB2 SER 111 HB2 SER 111 5.952 -9.638 1.236 874 HB3 SER 111 HB3 SER 111 7.671 -9.921 1.658 875 HG SER 111 HG SER 111 6.697 -8.349 3.502 876 H LEU 112 H LEU 112 9.374 -8.524 0.115 877 HA LEU 112 HA LEU 112 8.091 -8.601 -2.579 878 HB2 LEU 112 HB2 LEU 112 10.818 -7.465 -1.938 879 HB3 LEU 112 HB3 LEU 112 10.189 -7.747 -3.549 880 HG LEU 112 HG LEU 112 8.499 -5.957 -3.258 881 HD11 LEU 112 HD11 LEU 112 9.094 -4.254 -1.409 882 HD12 LEU 112 HD12 LEU 112 9.883 -5.610 -0.580 883 HD13 LEU 112 HD13 LEU 112 8.155 -5.647 -0.948 884 HD21 LEU 112 HD21 LEU 112 10.692 -5.610 -4.357 885 HD22 LEU 112 HD22 LEU 112 11.420 -5.236 -2.781 886 HD23 LEU 112 HD23 LEU 112 10.191 -4.163 -3.425 887 H GLU 113 H GLU 113 8.811 -10.254 -3.944 888 HA GLU 113 HA GLU 113 10.760 -12.227 -2.721 889 HB2 GLU 113 HB2 GLU 113 8.489 -13.075 -3.455 890 HB3 GLU 113 HB3 GLU 113 8.927 -12.578 -5.091 891 HG2 GLU 113 HG2 GLU 113 9.314 -14.837 -5.015 892 HG3 GLU 113 HG3 GLU 113 10.920 -14.100 -4.899 893 H MET 114 H MET 114 12.875 -12.177 -3.704 894 HA MET 114 HA MET 114 12.966 -10.532 -6.244 895 HB2 MET 114 HB2 MET 114 14.664 -10.197 -3.709 896 HB3 MET 114 HB3 MET 114 14.900 -9.272 -5.194 897 HG2 MET 114 HG2 MET 114 12.570 -8.317 -4.909 898 HG3 MET 114 HG3 MET 114 12.351 -9.293 -3.469 899 HE1 MET 114 HE1 MET 114 14.894 -6.801 -4.824 900 HE2 MET 114 HE2 MET 114 14.739 -5.547 -3.590 901 HE3 MET 114 HE3 MET 114 13.368 -5.916 -4.634 902 H LEU 115 H LEU 115 14.739 -10.908 -7.602 903 HA LEU 115 HA LEU 115 16.339 -13.381 -6.988 904 HB2 LEU 115 HB2 LEU 115 15.674 -12.044 -9.642 905 HB3 LEU 115 HB3 LEU 115 16.644 -13.511 -9.437 906 HG LEU 115 HG LEU 115 13.718 -13.281 -8.778 907 HD11 LEU 115 HD11 LEU 115 15.118 -14.564 -11.158 908 HD12 LEU 115 HD12 LEU 115 14.117 -13.052 -11.169 909 HD13 LEU 115 HD13 LEU 115 13.347 -14.643 -10.754 910 HD21 LEU 115 HD21 LEU 115 15.607 -15.676 -8.767 911 HD22 LEU 115 HD22 LEU 115 14.748 -14.982 -7.399 912 HD23 LEU 115 HD23 LEU 115 13.832 -15.781 -8.724 913 H ALA 116 H ALA 116 18.498 -13.128 -6.675 914 HA ALA 116 HA ALA 116 19.637 -10.499 -6.657 915 HB1 ALA 116 HB1 ALA 116 20.326 -12.147 -5.014 916 HB2 ALA 116 HB2 ALA 116 21.739 -11.694 -5.986 917 HB3 ALA 116 HB3 ALA 116 20.910 -13.241 -6.306 918 H GLU 117 H GLU 117 21.441 -9.696 -7.750 919 HA GLU 117 HA GLU 117 21.430 -10.067 -10.581 920 HB2 GLU 117 HB2 GLU 117 23.238 -8.458 -10.539 921 HB3 GLU 117 HB3 GLU 117 22.002 -7.977 -9.355 922 HG2 GLU 117 HG2 GLU 117 23.403 -8.963 -7.550 923 HG3 GLU 117 HG3 GLU 117 24.664 -9.285 -8.755 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -2.545 9.113 -4.546 2 H2 MET 1 H2 MET 1 -3.016 10.178 -3.396 3 H3 MET 1 H3 MET 1 -3.348 10.469 -4.987 4 HA MET 1 HA MET 1 -4.478 8.303 -3.318 5 HB2 MET 1 HB2 MET 1 -5.315 10.518 -2.820 6 HB3 MET 1 HB3 MET 1 -5.748 10.782 -4.529 7 HG2 MET 1 HG2 MET 1 -7.349 8.881 -4.425 8 HG3 MET 1 HG3 MET 1 -6.906 8.646 -2.736 9 HE1 MET 1 HE1 MET 1 -7.885 9.998 -0.762 10 HE2 MET 1 HE2 MET 1 -8.628 11.584 -0.920 11 HE3 MET 1 HE3 MET 1 -6.929 11.382 -1.301 12 H HIS 2 H HIS 2 -4.250 9.876 -6.624 13 HA HIS 2 HA HIS 2 -6.128 8.070 -7.801 14 HB2 HIS 2 HB2 HIS 2 -3.780 9.576 -8.957 15 HB3 HIS 2 HB3 HIS 2 -4.998 8.713 -9.906 16 HD1 HIS 2 HD1 HIS 2 -4.710 11.718 -10.488 17 HD2 HIS 2 HD2 HIS 2 -7.348 10.146 -7.622 18 HE1 HIS 2 HE1 HIS 2 -6.497 13.456 -10.088 19 HE2 HIS 2 HE2 HIS 2 -8.057 12.545 -8.298 20 H GLU 3 H GLU 3 -5.834 6.033 -8.961 21 HA GLU 3 HA GLU 3 -3.885 4.474 -7.619 22 HB2 GLU 3 HB2 GLU 3 -5.431 3.919 -10.163 23 HB3 GLU 3 HB3 GLU 3 -4.474 2.688 -9.318 24 HG2 GLU 3 HG2 GLU 3 -6.743 2.306 -8.594 25 HG3 GLU 3 HG3 GLU 3 -6.010 3.199 -7.236 26 H TYR 4 H TYR 4 -3.750 5.918 -10.870 27 HA TYR 4 HA TYR 4 -1.353 4.545 -11.634 28 HB2 TYR 4 HB2 TYR 4 -2.667 7.089 -12.631 29 HB3 TYR 4 HB3 TYR 4 -1.171 6.409 -13.313 30 HD1 TYR 4 HD1 TYR 4 -1.156 4.596 -14.833 31 HD2 TYR 4 HD2 TYR 4 -4.757 5.586 -12.746 32 HE1 TYR 4 HE1 TYR 4 -2.373 3.038 -16.249 33 HE2 TYR 4 HE2 TYR 4 -5.979 3.931 -14.116 34 HH TYR 4 HH TYR 4 -5.840 2.343 -15.722 35 H SER 5 H SER 5 -1.970 7.457 -9.691 36 HA SER 5 HA SER 5 0.808 8.256 -9.846 37 HB2 SER 5 HB2 SER 5 -0.978 9.862 -9.287 38 HB3 SER 5 HB3 SER 5 -1.319 8.990 -7.787 39 HG SER 5 HG SER 5 1.128 10.251 -8.457 40 H VAL 6 H VAL 6 -1.197 6.336 -7.581 41 HA VAL 6 HA VAL 6 0.897 5.982 -5.631 42 HB VAL 6 HB VAL 6 -1.562 4.285 -6.137 43 HG11 VAL 6 HG11 VAL 6 -0.126 2.887 -4.851 44 HG12 VAL 6 HG12 VAL 6 -1.160 3.639 -3.649 45 HG13 VAL 6 HG13 VAL 6 0.493 4.219 -3.896 46 HG21 VAL 6 HG21 VAL 6 -2.506 5.499 -4.151 47 HG22 VAL 6 HG22 VAL 6 -2.158 6.626 -5.514 48 HG23 VAL 6 HG23 VAL 6 -1.053 6.556 -4.120 49 H VAL 7 H VAL 7 -0.128 4.077 -8.480 50 HA VAL 7 HA VAL 7 1.812 1.980 -7.951 51 HB VAL 7 HB VAL 7 0.353 2.761 -10.506 52 HG11 VAL 7 HG11 VAL 7 1.855 0.243 -9.795 53 HG12 VAL 7 HG12 VAL 7 2.502 1.524 -10.850 54 HG13 VAL 7 HG13 VAL 7 1.071 0.630 -11.356 55 HG21 VAL 7 HG21 VAL 7 -1.161 1.979 -8.686 56 HG22 VAL 7 HG22 VAL 7 -0.083 0.600 -8.399 57 HG23 VAL 7 HG23 VAL 7 -0.988 0.698 -9.913 58 H SER 8 H SER 8 1.907 5.128 -9.792 59 HA SER 8 HA SER 8 4.467 4.553 -11.033 60 HB2 SER 8 HB2 SER 8 2.993 6.514 -11.600 61 HB3 SER 8 HB3 SER 8 3.417 7.263 -10.028 62 HG SER 8 HG SER 8 5.249 6.547 -12.060 63 H SER 9 H SER 9 3.569 5.807 -7.822 64 HA SER 9 HA SER 9 6.321 6.245 -6.999 65 HB2 SER 9 HB2 SER 9 4.404 7.435 -5.999 66 HB3 SER 9 HB3 SER 9 3.784 5.934 -5.351 67 HG SER 9 HG SER 9 6.387 6.830 -4.781 68 H LEU 10 H LEU 10 3.969 3.550 -6.801 69 HA LEU 10 HA LEU 10 5.458 1.929 -4.948 70 HB2 LEU 10 HB2 LEU 10 3.065 1.401 -5.573 71 HB3 LEU 10 HB3 LEU 10 3.672 1.050 -7.222 72 HG LEU 10 HG LEU 10 4.890 -0.857 -6.551 73 HD11 LEU 10 HD11 LEU 10 3.968 -0.308 -3.762 74 HD12 LEU 10 HD12 LEU 10 5.643 -0.188 -4.362 75 HD13 LEU 10 HD13 LEU 10 4.771 -1.732 -4.334 76 HD21 LEU 10 HD21 LEU 10 2.559 -1.039 -7.095 77 HD22 LEU 10 HD22 LEU 10 2.095 -0.789 -5.420 78 HD23 LEU 10 HD23 LEU 10 2.997 -2.257 -5.885 79 H ILE 11 H ILE 11 5.553 2.171 -8.534 80 HA ILE 11 HA ILE 11 7.317 -0.094 -8.709 81 HB ILE 11 HB ILE 11 7.128 2.290 -10.613 82 HG12 ILE 11 HG12 ILE 11 4.966 1.151 -10.429 83 HG13 ILE 11 HG13 ILE 11 5.727 0.782 -11.962 84 HG21 ILE 11 HG21 ILE 11 8.423 -0.439 -10.959 85 HG22 ILE 11 HG22 ILE 11 9.218 1.149 -11.064 86 HG23 ILE 11 HG23 ILE 11 8.017 0.654 -12.296 87 HD11 ILE 11 HD11 ILE 11 6.438 -1.458 -11.031 88 HD12 ILE 11 HD12 ILE 11 4.647 -1.227 -11.121 89 HD13 ILE 11 HD13 ILE 11 5.491 -1.065 -9.558 90 H ALA 12 H ALA 12 7.881 3.388 -8.210 91 HA ALA 12 HA ALA 12 10.749 3.122 -8.385 92 HB1 ALA 12 HB1 ALA 12 9.005 5.220 -7.029 93 HB2 ALA 12 HB2 ALA 12 9.647 5.296 -8.692 94 HB3 ALA 12 HB3 ALA 12 10.785 5.352 -7.289 95 H LEU 13 H LEU 13 8.353 2.810 -5.741 96 HA LEU 13 HA LEU 13 10.215 2.713 -3.528 97 HB2 LEU 13 HB2 LEU 13 7.760 2.976 -3.347 98 HB3 LEU 13 HB3 LEU 13 7.563 1.314 -3.859 99 HG LEU 13 HG LEU 13 8.648 0.558 -1.790 100 HD11 LEU 13 HD11 LEU 13 10.128 2.346 -1.215 101 HD12 LEU 13 HD12 LEU 13 8.937 2.117 0.064 102 HD13 LEU 13 HD13 LEU 13 8.747 3.480 -1.074 103 HD21 LEU 13 HD21 LEU 13 6.408 2.528 -1.247 104 HD22 LEU 13 HD22 LEU 13 6.802 1.054 -0.371 105 HD23 LEU 13 HD23 LEU 13 6.202 0.917 -2.002 106 H CYS 14 H CYS 14 8.919 0.377 -5.793 107 HA CYS 14 HA CYS 14 10.100 -1.959 -4.590 108 HB2 CYS 14 HB2 CYS 14 9.138 -1.373 -7.416 109 HB3 CYS 14 HB3 CYS 14 9.612 -2.970 -6.849 110 HG CYS 14 HG CYS 14 7.118 -1.044 -5.941 111 H GLU 15 H GLU 15 11.127 0.346 -7.181 112 HA GLU 15 HA GLU 15 13.537 -1.112 -7.677 113 HB2 GLU 15 HB2 GLU 15 12.902 1.829 -8.139 114 HB3 GLU 15 HB3 GLU 15 14.392 1.026 -8.684 115 HG2 GLU 15 HG2 GLU 15 13.074 -0.527 -10.010 116 HG3 GLU 15 HG3 GLU 15 11.567 0.224 -9.511 117 H GLU 16 H GLU 16 12.748 1.450 -5.342 118 HA GLU 16 HA GLU 16 15.509 1.622 -4.678 119 HB2 GLU 16 HB2 GLU 16 15.140 3.014 -2.938 120 HB3 GLU 16 HB3 GLU 16 13.984 3.503 -4.200 121 HG2 GLU 16 HG2 GLU 16 12.256 2.333 -2.942 122 HG3 GLU 16 HG3 GLU 16 13.469 1.894 -1.730 123 H HIS 17 H HIS 17 12.928 -0.432 -3.562 124 HA HIS 17 HA HIS 17 14.530 -1.515 -1.387 125 HB2 HIS 17 HB2 HIS 17 12.172 -2.642 -2.878 126 HB3 HIS 17 HB3 HIS 17 13.032 -3.505 -1.588 127 HD1 HIS 17 HD1 HIS 17 13.180 -2.257 0.809 128 HD2 HIS 17 HD2 HIS 17 10.164 -0.975 -1.807 129 HE1 HIS 17 HE1 HIS 17 11.482 -0.841 2.177 130 HE2 HIS 17 HE2 HIS 17 9.645 -0.236 0.612 131 H ALA 18 H ALA 18 14.169 -2.200 -4.850 132 HA ALA 18 HA ALA 18 15.749 -4.548 -4.781 133 HB1 ALA 18 HB1 ALA 18 15.990 -4.274 -7.165 134 HB2 ALA 18 HB2 ALA 18 15.503 -2.587 -7.101 135 HB3 ALA 18 HB3 ALA 18 14.326 -3.885 -6.723 136 H LYS 19 H LYS 19 16.818 -1.113 -5.146 137 HA LYS 19 HA LYS 19 19.564 -1.928 -5.461 138 HB2 LYS 19 HB2 LYS 19 20.187 0.347 -5.208 139 HB3 LYS 19 HB3 LYS 19 18.729 0.291 -6.187 140 HG2 LYS 19 HG2 LYS 19 17.428 0.933 -4.185 141 HG3 LYS 19 HG3 LYS 19 18.909 0.959 -3.246 142 HD2 LYS 19 HD2 LYS 19 19.764 2.728 -4.813 143 HD3 LYS 19 HD3 LYS 19 18.208 2.746 -5.601 144 HE2 LYS 19 HE2 LYS 19 17.199 3.359 -3.368 145 HE3 LYS 19 HE3 LYS 19 18.827 3.393 -2.679 146 HZ1 LYS 19 HZ1 LYS 19 17.862 5.122 -4.864 147 HZ2 LYS 19 HZ2 LYS 19 19.378 5.139 -4.184 148 HZ3 LYS 19 HZ3 LYS 19 18.062 5.560 -3.256 149 H LYS 20 H LYS 20 17.582 -1.383 -2.640 150 HA LYS 20 HA LYS 20 19.837 -1.405 -0.777 151 HB2 LYS 20 HB2 LYS 20 16.877 -1.921 -0.364 152 HB3 LYS 20 HB3 LYS 20 18.062 -1.757 0.949 153 HG2 LYS 20 HG2 LYS 20 18.576 0.511 0.241 154 HG3 LYS 20 HG3 LYS 20 17.448 0.376 -1.054 155 HD2 LYS 20 HD2 LYS 20 15.622 -0.005 0.537 156 HD3 LYS 20 HD3 LYS 20 16.744 0.228 1.881 157 HE2 LYS 20 HE2 LYS 20 17.262 2.480 1.010 158 HE3 LYS 20 HE3 LYS 20 16.077 2.225 -0.286 159 HZ1 LYS 20 HZ1 LYS 20 15.344 3.538 1.695 160 HZ2 LYS 20 HZ2 LYS 20 15.374 2.137 2.582 161 HZ3 LYS 20 HZ3 LYS 20 14.354 2.275 1.275 162 H ASN 21 H ASN 21 17.941 -3.827 -2.431 163 HA ASN 21 HA ASN 21 19.009 -5.927 -0.613 164 HB2 ASN 21 HB2 ASN 21 16.523 -5.674 -1.327 165 HB3 ASN 21 HB3 ASN 21 17.013 -6.390 -2.845 166 HD21 ASN 21 HD21 ASN 21 18.519 -8.516 -2.200 167 HD22 ASN 21 HD22 ASN 21 17.711 -9.556 -1.038 168 H GLN 22 H GLN 22 20.014 -4.223 -3.197 169 HA GLN 22 HA GLN 22 21.446 -4.601 -4.935 170 HB2 GLN 22 HB2 GLN 22 22.282 -6.962 -3.208 171 HB3 GLN 22 HB3 GLN 22 23.199 -6.310 -4.593 172 HG2 GLN 22 HG2 GLN 22 23.373 -4.158 -3.430 173 HG3 GLN 22 HG3 GLN 22 22.471 -4.783 -2.063 174 HE21 GLN 22 HE21 GLN 22 24.432 -4.030 -0.967 175 HE22 GLN 22 HE22 GLN 22 25.776 -5.112 -0.804 176 H ALA 23 H ALA 23 18.891 -5.413 -5.465 177 HA ALA 23 HA ALA 23 19.153 -8.012 -6.878 178 HB1 ALA 23 HB1 ALA 23 16.783 -6.554 -5.611 179 HB2 ALA 23 HB2 ALA 23 17.462 -8.138 -5.129 180 HB3 ALA 23 HB3 ALA 23 16.590 -7.975 -6.678 181 H HIS 24 H HIS 24 18.419 -8.109 -9.042 182 HA HIS 24 HA HIS 24 18.210 -5.419 -10.345 183 HB2 HIS 24 HB2 HIS 24 18.899 -6.462 -12.379 184 HB3 HIS 24 HB3 HIS 24 19.984 -7.011 -11.097 185 HD1 HIS 24 HD1 HIS 24 17.912 -8.202 -13.892 186 HD2 HIS 24 HD2 HIS 24 19.105 -9.742 -10.185 187 HE1 HIS 24 HE1 HIS 24 17.568 -10.721 -14.003 188 HE2 HIS 24 HE2 HIS 24 18.313 -11.657 -11.760 189 H LYS 25 H LYS 25 16.337 -8.180 -9.463 190 HA LYS 25 HA LYS 25 14.069 -7.119 -11.121 191 HB2 LYS 25 HB2 LYS 25 15.321 -8.809 -12.491 192 HB3 LYS 25 HB3 LYS 25 15.062 -10.004 -11.211 193 HG2 LYS 25 HG2 LYS 25 12.635 -9.893 -11.628 194 HG3 LYS 25 HG3 LYS 25 12.898 -8.632 -12.854 195 HD2 LYS 25 HD2 LYS 25 14.363 -10.167 -14.114 196 HD3 LYS 25 HD3 LYS 25 13.986 -11.473 -12.959 197 HE2 LYS 25 HE2 LYS 25 11.608 -11.306 -13.543 198 HE3 LYS 25 HE3 LYS 25 12.004 -10.023 -14.717 199 HZ1 LYS 25 HZ1 LYS 25 12.699 -12.851 -14.779 200 HZ2 LYS 25 HZ2 LYS 25 11.901 -11.961 -15.911 201 HZ3 LYS 25 HZ3 LYS 25 13.538 -11.749 -15.702 202 H ILE 26 H ILE 26 12.103 -7.501 -10.142 203 HA ILE 26 HA ILE 26 12.152 -9.073 -7.591 204 HB ILE 26 HB ILE 26 10.289 -6.849 -8.576 205 HG12 ILE 26 HG12 ILE 26 12.327 -6.844 -6.300 206 HG13 ILE 26 HG13 ILE 26 12.708 -6.229 -7.888 207 HG21 ILE 26 HG21 ILE 26 9.104 -8.459 -7.188 208 HG22 ILE 26 HG22 ILE 26 10.316 -8.362 -5.901 209 HG23 ILE 26 HG23 ILE 26 9.309 -6.971 -6.347 210 HD11 ILE 26 HD11 ILE 26 12.158 -4.421 -6.409 211 HD12 ILE 26 HD12 ILE 26 10.574 -5.144 -6.038 212 HD13 ILE 26 HD13 ILE 26 10.954 -4.584 -7.674 213 H GLU 27 H GLU 27 11.258 -11.028 -7.762 214 HA GLU 27 HA GLU 27 9.859 -11.717 -10.205 215 HB2 GLU 27 HB2 GLU 27 11.299 -12.989 -8.138 216 HB3 GLU 27 HB3 GLU 27 9.694 -13.691 -8.088 217 HG2 GLU 27 HG2 GLU 27 11.463 -13.511 -10.478 218 HG3 GLU 27 HG3 GLU 27 11.187 -14.973 -9.534 219 H ARG 28 H ARG 28 8.832 -10.944 -6.976 220 HA ARG 28 HA ARG 28 6.033 -11.136 -7.873 221 HB2 ARG 28 HB2 ARG 28 6.805 -13.345 -6.753 222 HB3 ARG 28 HB3 ARG 28 6.964 -12.395 -5.268 223 HG2 ARG 28 HG2 ARG 28 4.502 -11.823 -5.416 224 HG3 ARG 28 HG3 ARG 28 4.412 -12.885 -6.809 225 HD2 ARG 28 HD2 ARG 28 5.293 -14.753 -5.283 226 HD3 ARG 28 HD3 ARG 28 5.044 -13.634 -3.947 227 HE ARG 28 HE ARG 28 2.695 -13.794 -4.286 228 HH11 ARG 28 HH11 ARG 28 0.878 -14.753 -5.130 229 HH12 ARG 28 HH12 ARG 28 1.055 -16.094 -6.271 230 HH21 ARG 28 HH21 ARG 28 4.502 -15.850 -6.562 231 HH22 ARG 28 HH22 ARG 28 3.012 -16.649 -7.095 232 H VAL 29 H VAL 29 4.760 -9.533 -6.887 233 HA VAL 29 HA VAL 29 5.997 -8.130 -4.526 234 HB VAL 29 HB VAL 29 4.348 -6.923 -6.840 235 HG11 VAL 29 HG11 VAL 29 3.920 -5.914 -4.532 236 HG12 VAL 29 HG12 VAL 29 4.599 -4.792 -5.665 237 HG13 VAL 29 HG13 VAL 29 5.619 -5.505 -4.448 238 HG21 VAL 29 HG21 VAL 29 7.251 -6.359 -6.049 239 HG22 VAL 29 HG22 VAL 29 6.348 -5.626 -7.399 240 HG23 VAL 29 HG23 VAL 29 6.756 -7.384 -7.425 241 H VAL 30 H VAL 30 4.497 -8.320 -2.728 242 HA VAL 30 HA VAL 30 1.639 -8.674 -3.570 243 HB VAL 30 HB VAL 30 1.197 -10.014 -1.558 244 HG11 VAL 30 HG11 VAL 30 2.196 -12.105 -2.263 245 HG12 VAL 30 HG12 VAL 30 3.579 -11.261 -3.034 246 HG13 VAL 30 HG13 VAL 30 1.942 -11.142 -3.756 247 HG21 VAL 30 HG21 VAL 30 2.872 -10.854 -0.120 248 HG22 VAL 30 HG22 VAL 30 3.036 -9.108 -0.145 249 HG23 VAL 30 HG23 VAL 30 4.169 -10.149 -1.070 250 H VAL 31 H VAL 31 0.197 -7.201 -2.571 251 HA VAL 31 HA VAL 31 1.558 -5.267 -0.750 252 HB VAL 31 HB VAL 31 0.235 -3.448 -1.895 253 HG11 VAL 31 HG11 VAL 31 1.673 -3.177 -3.752 254 HG12 VAL 31 HG12 VAL 31 1.829 -4.945 -3.995 255 HG13 VAL 31 HG13 VAL 31 2.563 -4.149 -2.606 256 HG21 VAL 31 HG21 VAL 31 -0.523 -5.522 -4.014 257 HG22 VAL 31 HG22 VAL 31 -0.999 -3.799 -3.935 258 HG23 VAL 31 HG23 VAL 31 -1.609 -4.955 -2.734 259 H GLY 32 H GLY 32 0.051 -3.991 0.451 260 HA2 GLY 32 HA2 GLY 32 -2.463 -5.485 1.062 261 HA3 GLY 32 HA3 GLY 32 -1.489 -4.598 2.279 262 H ILE 33 H ILE 33 -4.302 -4.207 0.881 263 HA ILE 33 HA ILE 33 -3.880 -1.284 0.392 264 HB ILE 33 HB ILE 33 -5.806 -3.075 -1.136 265 HG12 ILE 33 HG12 ILE 33 -3.410 -1.401 -2.038 266 HG13 ILE 33 HG13 ILE 33 -3.351 -3.115 -1.829 267 HG21 ILE 33 HG21 ILE 33 -6.704 -0.827 -0.584 268 HG22 ILE 33 HG22 ILE 33 -6.468 -1.042 -2.342 269 HG23 ILE 33 HG23 ILE 33 -5.345 -0.054 -1.380 270 HD11 ILE 33 HD11 ILE 33 -4.936 -1.565 -3.948 271 HD12 ILE 33 HD12 ILE 33 -5.150 -3.310 -3.625 272 HD13 ILE 33 HD13 ILE 33 -3.586 -2.707 -4.208 273 H GLY 34 H GLY 34 -5.152 -0.023 1.709 274 HA2 GLY 34 HA2 GLY 34 -6.352 -1.276 3.947 275 HA3 GLY 34 HA3 GLY 34 -6.505 0.405 3.501 276 H GLU 35 H GLU 35 -8.282 -1.456 4.737 277 HA GLU 35 HA GLU 35 -10.404 -2.253 3.055 278 HB2 GLU 35 HB2 GLU 35 -11.613 -2.668 5.110 279 HB3 GLU 35 HB3 GLU 35 -9.915 -3.093 5.317 280 HG2 GLU 35 HG2 GLU 35 -9.504 -0.932 6.373 281 HG3 GLU 35 HG3 GLU 35 -11.223 -0.620 6.316 282 H ARG 36 H ARG 36 -9.691 0.919 4.395 283 HA ARG 36 HA ARG 36 -12.291 1.819 3.193 284 HB2 ARG 36 HB2 ARG 36 -10.702 3.306 5.309 285 HB3 ARG 36 HB3 ARG 36 -12.199 3.816 4.509 286 HG2 ARG 36 HG2 ARG 36 -13.181 1.649 5.577 287 HG3 ARG 36 HG3 ARG 36 -11.726 1.660 6.594 288 HD2 ARG 36 HD2 ARG 36 -13.730 3.928 6.238 289 HD3 ARG 36 HD3 ARG 36 -13.664 2.855 7.648 290 HE ARG 36 HE ARG 36 -11.138 4.041 7.428 291 HH11 ARG 36 HH11 ARG 36 -10.594 5.980 8.442 292 HH12 ARG 36 HH12 ARG 36 -11.837 7.053 9.019 293 HH21 ARG 36 HH21 ARG 36 -14.476 5.151 7.959 294 HH22 ARG 36 HH22 ARG 36 -13.925 6.642 8.717 295 H SER 37 H SER 37 -9.527 1.314 1.974 296 HA SER 37 HA SER 37 -8.264 3.844 1.524 297 HB2 SER 37 HB2 SER 37 -7.147 2.725 -0.324 298 HB3 SER 37 HB3 SER 37 -7.150 1.696 1.122 299 HG SER 37 HG SER 37 -8.496 0.348 0.204 300 H ALA 38 H ALA 38 -8.321 5.236 -0.280 301 HA ALA 38 HA ALA 38 -10.960 5.589 -1.447 302 HB1 ALA 38 HB1 ALA 38 -9.641 7.541 -0.990 303 HB2 ALA 38 HB2 ALA 38 -9.755 7.398 -2.754 304 HB3 ALA 38 HB3 ALA 38 -8.260 6.926 -1.915 305 H MET 39 H MET 39 -8.062 3.914 -2.278 306 HA MET 39 HA MET 39 -8.204 4.027 -5.085 307 HB2 MET 39 HB2 MET 39 -6.876 2.060 -3.191 308 HB3 MET 39 HB3 MET 39 -6.535 2.175 -4.893 309 HG2 MET 39 HG2 MET 39 -5.648 4.501 -4.574 310 HG3 MET 39 HG3 MET 39 -6.050 4.382 -2.836 311 HE1 MET 39 HE1 MET 39 -4.395 1.775 -5.315 312 HE2 MET 39 HE2 MET 39 -2.714 2.051 -4.850 313 HE3 MET 39 HE3 MET 39 -3.655 3.352 -5.607 314 H ASP 40 H ASP 40 -8.810 2.562 -6.631 315 HA ASP 40 HA ASP 40 -10.766 0.445 -5.779 316 HB2 ASP 40 HB2 ASP 40 -10.005 1.705 -8.456 317 HB3 ASP 40 HB3 ASP 40 -11.043 0.275 -8.325 318 H LYS 41 H LYS 41 -10.231 -1.715 -5.938 319 HA LYS 41 HA LYS 41 -7.413 -2.358 -6.217 320 HB2 LYS 41 HB2 LYS 41 -9.925 -4.058 -6.073 321 HB3 LYS 41 HB3 LYS 41 -8.313 -4.722 -6.002 322 HG2 LYS 41 HG2 LYS 41 -7.886 -3.559 -3.895 323 HG3 LYS 41 HG3 LYS 41 -9.409 -2.689 -4.018 324 HD2 LYS 41 HD2 LYS 41 -9.741 -4.411 -2.440 325 HD3 LYS 41 HD3 LYS 41 -10.580 -4.848 -3.949 326 HE2 LYS 41 HE2 LYS 41 -8.731 -6.306 -4.574 327 HE3 LYS 41 HE3 LYS 41 -7.894 -5.881 -3.076 328 HZ1 LYS 41 HZ1 LYS 41 -9.570 -6.963 -1.838 329 HZ2 LYS 41 HZ2 LYS 41 -9.198 -7.987 -3.061 330 HZ3 LYS 41 HZ3 LYS 41 -10.582 -7.100 -3.145 331 H SER 42 H SER 42 -10.173 -2.387 -8.417 332 HA SER 42 HA SER 42 -8.815 -4.141 -10.354 333 HB2 SER 42 HB2 SER 42 -11.171 -2.258 -10.677 334 HB3 SER 42 HB3 SER 42 -10.654 -3.486 -11.861 335 HG SER 42 HG SER 42 -10.953 -5.011 -10.068 336 H LEU 43 H LEU 43 -9.099 -0.656 -9.877 337 HA LEU 43 HA LEU 43 -7.743 -0.121 -12.414 338 HB2 LEU 43 HB2 LEU 43 -8.200 1.695 -10.017 339 HB3 LEU 43 HB3 LEU 43 -7.596 2.183 -11.590 340 HG LEU 43 HG LEU 43 -10.347 1.031 -11.099 341 HD11 LEU 43 HD11 LEU 43 -11.195 3.269 -11.361 342 HD12 LEU 43 HD12 LEU 43 -9.536 3.881 -11.706 343 HD13 LEU 43 HD13 LEU 43 -9.927 3.294 -10.095 344 HD21 LEU 43 HD21 LEU 43 -9.585 0.634 -13.409 345 HD22 LEU 43 HD22 LEU 43 -10.763 1.935 -13.423 346 HD23 LEU 43 HD23 LEU 43 -9.046 2.265 -13.572 347 H PHE 44 H PHE 44 -6.939 -0.779 -9.093 348 HA PHE 44 HA PHE 44 -4.252 0.219 -9.246 349 HB2 PHE 44 HB2 PHE 44 -5.315 -0.380 -7.027 350 HB3 PHE 44 HB3 PHE 44 -5.354 -2.079 -7.568 351 HD1 PHE 44 HD1 PHE 44 -3.050 0.745 -6.833 352 HD2 PHE 44 HD2 PHE 44 -3.424 -3.467 -7.392 353 HE1 PHE 44 HE1 PHE 44 -0.776 0.409 -5.827 354 HE2 PHE 44 HE2 PHE 44 -1.202 -3.785 -6.448 355 HZ PHE 44 HZ PHE 44 0.176 -1.885 -5.609 356 H VAL 45 H VAL 45 -5.639 -3.075 -9.836 357 HA VAL 45 HA VAL 45 -3.037 -3.985 -10.525 358 HB VAL 45 HB VAL 45 -4.105 -6.060 -11.409 359 HG11 VAL 45 HG11 VAL 45 -5.047 -6.851 -9.342 360 HG12 VAL 45 HG12 VAL 45 -5.352 -5.158 -8.781 361 HG13 VAL 45 HG13 VAL 45 -3.668 -5.771 -8.990 362 HG21 VAL 45 HG21 VAL 45 -6.569 -6.303 -11.144 363 HG22 VAL 45 HG22 VAL 45 -6.137 -5.143 -12.432 364 HG23 VAL 45 HG23 VAL 45 -6.686 -4.535 -10.823 365 H SER 46 H SER 46 -5.477 -2.254 -12.293 366 HA SER 46 HA SER 46 -4.440 -2.973 -14.958 367 HB2 SER 46 HB2 SER 46 -6.743 -2.085 -14.623 368 HB3 SER 46 HB3 SER 46 -6.065 -0.543 -14.054 369 HG SER 46 HG SER 46 -5.397 -1.652 -16.546 370 H ALA 47 H ALA 47 -3.951 -0.317 -12.598 371 HA ALA 47 HA ALA 47 -2.196 1.198 -14.289 372 HB1 ALA 47 HB1 ALA 47 -1.632 2.344 -12.140 373 HB2 ALA 47 HB2 ALA 47 -2.520 1.078 -11.262 374 HB3 ALA 47 HB3 ALA 47 -3.380 2.174 -12.366 375 H PHE 48 H PHE 48 -1.781 -1.450 -12.020 376 HA PHE 48 HA PHE 48 1.045 -1.226 -11.821 377 HB2 PHE 48 HB2 PHE 48 -0.425 -2.472 -10.254 378 HB3 PHE 48 HB3 PHE 48 -0.649 -3.700 -11.482 379 HD1 PHE 48 HD1 PHE 48 1.675 -2.222 -9.063 380 HD2 PHE 48 HD2 PHE 48 1.225 -5.265 -12.080 381 HE1 PHE 48 HE1 PHE 48 3.834 -3.239 -8.298 382 HE2 PHE 48 HE2 PHE 48 3.315 -6.335 -11.251 383 HZ PHE 48 HZ PHE 48 4.656 -5.326 -9.398 384 H GLU 49 H GLU 49 -1.045 -2.892 -14.130 385 HA GLU 49 HA GLU 49 1.146 -4.171 -15.481 386 HB2 GLU 49 HB2 GLU 49 -1.568 -3.314 -16.528 387 HB3 GLU 49 HB3 GLU 49 -0.443 -4.301 -17.433 388 HG2 GLU 49 HG2 GLU 49 -0.613 -6.067 -15.694 389 HG3 GLU 49 HG3 GLU 49 -1.800 -5.082 -14.886 390 H THR 50 H THR 50 -0.416 -0.984 -15.718 391 HA THR 50 HA THR 50 0.842 -0.250 -18.172 392 HB THR 50 HB THR 50 -0.153 1.553 -15.941 393 HG1 THR 50 HG1 THR 50 -1.762 0.108 -16.698 394 HG21 THR 50 HG21 THR 50 1.187 2.777 -17.606 395 HG22 THR 50 HG22 THR 50 -0.518 3.212 -17.760 396 HG23 THR 50 HG23 THR 50 0.220 2.090 -18.918 397 H PHE 51 H PHE 51 1.766 0.396 -14.733 398 HA PHE 51 HA PHE 51 4.228 1.667 -15.706 399 HB2 PHE 51 HB2 PHE 51 3.303 1.104 -12.914 400 HB3 PHE 51 HB3 PHE 51 4.770 1.897 -13.389 401 HD1 PHE 51 HD1 PHE 51 1.103 2.345 -13.107 402 HD2 PHE 51 HD2 PHE 51 4.890 4.055 -14.442 403 HE1 PHE 51 HE1 PHE 51 0.115 4.570 -13.219 404 HE2 PHE 51 HE2 PHE 51 3.826 6.266 -14.642 405 HZ PHE 51 HZ PHE 51 1.424 6.563 -13.986 406 H ARG 52 H ARG 52 3.503 -1.644 -14.637 407 HA ARG 52 HA ARG 52 6.194 -2.070 -13.736 408 HB2 ARG 52 HB2 ARG 52 5.721 -4.368 -13.685 409 HB3 ARG 52 HB3 ARG 52 4.275 -3.515 -13.194 410 HG2 ARG 52 HG2 ARG 52 3.367 -3.888 -15.514 411 HG3 ARG 52 HG3 ARG 52 4.790 -4.852 -15.841 412 HD2 ARG 52 HD2 ARG 52 4.290 -6.336 -13.973 413 HD3 ARG 52 HD3 ARG 52 2.817 -5.457 -13.645 414 HE ARG 52 HE ARG 52 2.835 -6.300 -16.373 415 HH11 ARG 52 HH11 ARG 52 1.568 -8.026 -17.015 416 HH12 ARG 52 HH12 ARG 52 0.991 -9.205 -15.842 417 HH21 ARG 52 HH21 ARG 52 2.569 -7.685 -13.154 418 HH22 ARG 52 HH22 ARG 52 1.589 -9.020 -13.701 419 H GLU 53 H GLU 53 4.869 -2.085 -16.974 420 HA GLU 53 HA GLU 53 7.052 -3.567 -18.115 421 HB2 GLU 53 HB2 GLU 53 6.081 -2.893 -20.245 422 HB3 GLU 53 HB3 GLU 53 4.803 -3.332 -19.133 423 HG2 GLU 53 HG2 GLU 53 4.379 -0.990 -18.705 424 HG3 GLU 53 HG3 GLU 53 5.672 -0.549 -19.836 425 H GLU 54 H GLU 54 6.626 -0.289 -17.050 426 HA GLU 54 HA GLU 54 8.630 0.929 -18.761 427 HB2 GLU 54 HB2 GLU 54 7.464 1.773 -16.107 428 HB3 GLU 54 HB3 GLU 54 8.416 2.827 -17.168 429 HG2 GLU 54 HG2 GLU 54 5.797 1.545 -17.875 430 HG3 GLU 54 HG3 GLU 54 6.028 3.227 -17.372 431 H SER 55 H SER 55 8.835 -1.093 -15.939 432 HA SER 55 HA SER 55 11.760 -0.448 -15.951 433 HB2 SER 55 HB2 SER 55 10.037 -0.992 -13.500 434 HB3 SER 55 HB3 SER 55 11.820 -0.790 -13.456 435 HG SER 55 HG SER 55 10.911 1.159 -12.985 436 H LEU 56 H LEU 56 13.020 -2.190 -16.144 437 HA LEU 56 HA LEU 56 11.954 -4.738 -16.808 438 HB2 LEU 56 HB2 LEU 56 14.140 -3.743 -17.502 439 HB3 LEU 56 HB3 LEU 56 14.739 -4.016 -15.897 440 HG LEU 56 HG LEU 56 15.627 -5.552 -17.469 441 HD11 LEU 56 HD11 LEU 56 15.598 -7.516 -16.291 442 HD12 LEU 56 HD12 LEU 56 13.902 -7.284 -15.681 443 HD13 LEU 56 HD13 LEU 56 15.222 -6.311 -15.039 444 HD21 LEU 56 HD21 LEU 56 12.796 -6.648 -17.678 445 HD22 LEU 56 HD22 LEU 56 13.563 -5.606 -18.903 446 HD23 LEU 56 HD23 LEU 56 14.207 -7.221 -18.553 447 H VAL 57 H VAL 57 13.124 -3.307 -13.849 448 HA VAL 57 HA VAL 57 13.428 -5.507 -12.194 449 HB VAL 57 HB VAL 57 12.416 -2.742 -11.418 450 HG11 VAL 57 HG11 VAL 57 12.060 -4.281 -9.581 451 HG12 VAL 57 HG12 VAL 57 13.384 -3.170 -9.205 452 HG13 VAL 57 HG13 VAL 57 13.732 -4.852 -9.706 453 HG21 VAL 57 HG21 VAL 57 14.569 -2.559 -12.593 454 HG22 VAL 57 HG22 VAL 57 14.746 -2.206 -10.877 455 HG23 VAL 57 HG23 VAL 57 15.243 -3.784 -11.489 456 H CYS 58 H CYS 58 10.344 -3.896 -12.953 457 HA CYS 58 HA CYS 58 9.009 -5.913 -11.186 458 HB2 CYS 58 HB2 CYS 58 8.053 -3.228 -12.195 459 HB3 CYS 58 HB3 CYS 58 7.152 -4.294 -11.107 460 HG CYS 58 HG CYS 58 10.083 -2.895 -10.681 461 H LYS 59 H LYS 59 9.543 -5.406 -14.487 462 HA LYS 59 HA LYS 59 6.996 -5.548 -15.618 463 HB2 LYS 59 HB2 LYS 59 9.082 -4.937 -16.680 464 HB3 LYS 59 HB3 LYS 59 9.594 -6.639 -16.683 465 HG2 LYS 59 HG2 LYS 59 7.854 -7.253 -18.160 466 HG3 LYS 59 HG3 LYS 59 7.094 -5.680 -18.062 467 HD2 LYS 59 HD2 LYS 59 8.265 -5.658 -20.129 468 HD3 LYS 59 HD3 LYS 59 9.134 -4.605 -18.991 469 HE2 LYS 59 HE2 LYS 59 10.803 -6.365 -18.569 470 HE3 LYS 59 HE3 LYS 59 9.940 -7.418 -19.727 471 HZ1 LYS 59 HZ1 LYS 59 11.013 -4.768 -20.404 472 HZ2 LYS 59 HZ2 LYS 59 10.491 -5.925 -21.471 473 HZ3 LYS 59 HZ3 LYS 59 11.884 -6.167 -20.582 474 H ASP 60 H ASP 60 8.998 -8.354 -14.606 475 HA ASP 60 HA ASP 60 6.752 -10.103 -15.484 476 HB2 ASP 60 HB2 ASP 60 9.586 -10.748 -14.605 477 HB3 ASP 60 HB3 ASP 60 8.363 -11.945 -15.007 478 H ALA 61 H ALA 61 7.117 -8.261 -12.866 479 HA ALA 61 HA ALA 61 7.116 -10.162 -10.713 480 HB1 ALA 61 HB1 ALA 61 6.346 -8.308 -9.341 481 HB2 ALA 61 HB2 ALA 61 7.559 -7.672 -10.476 482 HB3 ALA 61 HB3 ALA 61 5.815 -7.425 -10.764 483 H ILE 62 H ILE 62 5.374 -10.990 -9.514 484 HA ILE 62 HA ILE 62 2.699 -11.141 -10.914 485 HB ILE 62 HB ILE 62 3.895 -12.910 -8.744 486 HG12 ILE 62 HG12 ILE 62 3.340 -13.560 -11.608 487 HG13 ILE 62 HG13 ILE 62 4.923 -13.076 -11.051 488 HG21 ILE 62 HG21 ILE 62 1.282 -13.183 -10.260 489 HG22 ILE 62 HG22 ILE 62 1.943 -14.331 -9.072 490 HG23 ILE 62 HG23 ILE 62 1.469 -12.697 -8.557 491 HD11 ILE 62 HD11 ILE 62 4.917 -15.529 -11.117 492 HD12 ILE 62 HD12 ILE 62 3.447 -15.630 -10.188 493 HD13 ILE 62 HD13 ILE 62 4.921 -15.033 -9.403 494 H LEU 63 H LEU 63 1.042 -10.040 -9.890 495 HA LEU 63 HA LEU 63 1.691 -8.717 -7.311 496 HB2 LEU 63 HB2 LEU 63 1.458 -7.382 -9.288 497 HB3 LEU 63 HB3 LEU 63 -0.194 -7.943 -9.551 498 HG LEU 63 HG LEU 63 -0.058 -5.619 -8.732 499 HD11 LEU 63 HD11 LEU 63 -1.298 -7.173 -6.447 500 HD12 LEU 63 HD12 LEU 63 -2.022 -7.171 -8.082 501 HD13 LEU 63 HD13 LEU 63 -1.837 -5.648 -7.217 502 HD21 LEU 63 HD21 LEU 63 1.997 -5.766 -7.281 503 HD22 LEU 63 HD22 LEU 63 1.057 -6.771 -6.105 504 HD23 LEU 63 HD23 LEU 63 0.603 -5.072 -6.446 505 H ASP 64 H ASP 64 0.558 -9.245 -5.534 506 HA ASP 64 HA ASP 64 -2.258 -10.360 -5.764 507 HB2 ASP 64 HB2 ASP 64 -0.124 -10.906 -3.680 508 HB3 ASP 64 HB3 ASP 64 -1.816 -11.344 -3.518 509 H ILE 65 H ILE 65 -3.705 -9.556 -4.142 510 HA ILE 65 HA ILE 65 -2.770 -7.121 -2.667 511 HB ILE 65 HB ILE 65 -5.528 -7.614 -3.908 512 HG12 ILE 65 HG12 ILE 65 -3.455 -5.527 -4.641 513 HG13 ILE 65 HG13 ILE 65 -3.730 -6.974 -5.548 514 HG21 ILE 65 HG21 ILE 65 -5.732 -6.418 -1.758 515 HG22 ILE 65 HG22 ILE 65 -6.014 -5.310 -3.095 516 HG23 ILE 65 HG23 ILE 65 -4.451 -5.289 -2.268 517 HD11 ILE 65 HD11 ILE 65 -6.117 -6.210 -5.934 518 HD12 ILE 65 HD12 ILE 65 -4.878 -5.217 -6.665 519 HD13 ILE 65 HD13 ILE 65 -5.660 -4.684 -5.184 520 H VAL 66 H VAL 66 -3.056 -7.248 -0.554 521 HA VAL 66 HA VAL 66 -4.966 -9.243 0.596 522 HB VAL 66 HB VAL 66 -2.474 -7.904 1.820 523 HG11 VAL 66 HG11 VAL 66 -4.172 -8.251 3.490 524 HG12 VAL 66 HG12 VAL 66 -2.839 -9.442 3.690 525 HG13 VAL 66 HG13 VAL 66 -4.398 -9.930 2.940 526 HG21 VAL 66 HG21 VAL 66 -1.675 -10.305 1.871 527 HG22 VAL 66 HG22 VAL 66 -1.795 -9.604 0.226 528 HG23 VAL 66 HG23 VAL 66 -3.054 -10.727 0.841 529 H ASP 67 H ASP 67 -6.717 -8.316 1.785 530 HA ASP 67 HA ASP 67 -6.895 -5.375 1.867 531 HB2 ASP 67 HB2 ASP 67 -8.739 -7.579 3.006 532 HB3 ASP 67 HB3 ASP 67 -9.066 -5.846 3.018 533 H GLU 68 H GLU 68 -6.585 -4.054 3.657 534 HA GLU 68 HA GLU 68 -5.856 -5.474 6.205 535 HB2 GLU 68 HB2 GLU 68 -4.334 -3.148 4.910 536 HB3 GLU 68 HB3 GLU 68 -4.073 -3.794 6.527 537 HG2 GLU 68 HG2 GLU 68 -3.566 -5.977 5.541 538 HG3 GLU 68 HG3 GLU 68 -3.623 -5.258 3.914 539 H LYS 69 H LYS 69 -5.968 -4.326 8.142 540 HA LYS 69 HA LYS 69 -8.200 -2.426 8.314 541 HB2 LYS 69 HB2 LYS 69 -6.187 -3.586 10.225 542 HB3 LYS 69 HB3 LYS 69 -7.176 -2.235 10.787 543 HG2 LYS 69 HG2 LYS 69 -8.285 -4.191 11.519 544 HG3 LYS 69 HG3 LYS 69 -9.261 -3.420 10.251 545 HD2 LYS 69 HD2 LYS 69 -8.537 -5.086 8.588 546 HD3 LYS 69 HD3 LYS 69 -7.529 -5.869 9.820 547 HE2 LYS 69 HE2 LYS 69 -9.733 -7.023 9.628 548 HE3 LYS 69 HE3 LYS 69 -9.599 -6.205 11.204 549 HZ1 LYS 69 HZ1 LYS 69 -11.740 -5.844 10.122 550 HZ2 LYS 69 HZ2 LYS 69 -11.046 -5.147 8.796 551 HZ3 LYS 69 HZ3 LYS 69 -10.941 -4.421 10.279 552 H VAL 70 H VAL 70 -8.169 -0.363 8.841 553 HA VAL 70 HA VAL 70 -5.865 1.174 7.889 554 HB VAL 70 HB VAL 70 -7.312 3.172 8.159 555 HG11 VAL 70 HG11 VAL 70 -8.840 0.950 6.770 556 HG12 VAL 70 HG12 VAL 70 -8.817 2.666 6.378 557 HG13 VAL 70 HG13 VAL 70 -7.386 1.673 6.106 558 HG21 VAL 70 HG21 VAL 70 -9.704 2.886 8.771 559 HG22 VAL 70 HG22 VAL 70 -8.646 2.529 10.119 560 HG23 VAL 70 HG23 VAL 70 -9.400 1.205 9.231 561 H GLU 71 H GLU 71 -4.991 2.970 9.021 562 HA GLU 71 HA GLU 71 -5.085 2.661 11.992 563 HB2 GLU 71 HB2 GLU 71 -2.839 2.067 11.056 564 HB3 GLU 71 HB3 GLU 71 -2.743 3.682 10.371 565 HG2 GLU 71 HG2 GLU 71 -2.856 4.618 12.585 566 HG3 GLU 71 HG3 GLU 71 -3.052 3.020 13.272 567 H LEU 72 H LEU 72 -5.460 4.518 13.068 568 HA LEU 72 HA LEU 72 -6.216 6.847 11.350 569 HB2 LEU 72 HB2 LEU 72 -7.482 5.951 13.957 570 HB3 LEU 72 HB3 LEU 72 -7.923 7.346 13.029 571 HG LEU 72 HG LEU 72 -8.249 4.466 12.029 572 HD11 LEU 72 HD11 LEU 72 -9.816 4.843 13.823 573 HD12 LEU 72 HD12 LEU 72 -10.214 6.486 13.211 574 HD13 LEU 72 HD13 LEU 72 -10.700 5.037 12.316 575 HD21 LEU 72 HD21 LEU 72 -9.617 5.525 10.289 576 HD22 LEU 72 HD22 LEU 72 -7.933 6.030 10.217 577 HD23 LEU 72 HD23 LEU 72 -9.146 7.131 10.849 578 H GLU 73 H GLU 73 -5.897 8.874 12.146 579 HA GLU 73 HA GLU 73 -4.290 9.236 14.702 580 HB2 GLU 73 HB2 GLU 73 -2.864 9.517 12.663 581 HB3 GLU 73 HB3 GLU 73 -4.030 10.644 11.981 582 HG2 GLU 73 HG2 GLU 73 -3.616 12.209 13.842 583 HG3 GLU 73 HG3 GLU 73 -2.381 11.152 14.488 584 H CYS 74 H CYS 74 -5.060 10.919 15.914 585 HA CYS 74 HA CYS 74 -7.702 12.036 15.040 586 HB2 CYS 74 HB2 CYS 74 -7.479 10.616 17.089 587 HB3 CYS 74 HB3 CYS 74 -6.422 11.886 17.794 588 H LYS 75 H LYS 75 -7.881 14.226 14.805 589 HA LYS 75 HA LYS 75 -5.576 15.910 14.623 590 HB2 LYS 75 HB2 LYS 75 -8.498 16.707 14.741 591 HB3 LYS 75 HB3 LYS 75 -7.155 17.743 14.335 592 HG2 LYS 75 HG2 LYS 75 -6.520 16.107 12.484 593 HG3 LYS 75 HG3 LYS 75 -7.971 15.243 12.845 594 HD2 LYS 75 HD2 LYS 75 -8.413 16.565 10.943 595 HD3 LYS 75 HD3 LYS 75 -9.317 17.340 12.288 596 HE2 LYS 75 HE2 LYS 75 -7.404 18.955 12.518 597 HE3 LYS 75 HE3 LYS 75 -6.574 18.134 11.169 598 HZ1 LYS 75 HZ1 LYS 75 -9.174 19.564 11.032 599 HZ2 LYS 75 HZ2 LYS 75 -7.719 20.118 10.452 600 HZ3 LYS 75 HZ3 LYS 75 -8.432 18.787 9.780 601 H ASP 76 H ASP 76 -5.123 17.754 16.181 602 HA ASP 76 HA ASP 76 -3.854 16.463 17.940 603 HB2 ASP 76 HB2 ASP 76 -5.029 19.194 18.540 604 HB3 ASP 76 HB3 ASP 76 -3.562 18.540 19.320 605 H CYS 77 H CYS 77 -4.559 14.941 18.769 606 HA CYS 77 HA CYS 77 -5.337 14.832 21.628 607 HB2 CYS 77 HB2 CYS 77 -7.469 14.438 20.256 608 HB3 CYS 77 HB3 CYS 77 -6.510 13.317 19.229 609 H SER 78 H SER 78 -3.343 13.456 22.247 610 HA SER 78 HA SER 78 -1.861 12.555 19.820 611 HB2 SER 78 HB2 SER 78 -0.618 13.550 21.719 612 HB3 SER 78 HB3 SER 78 -1.137 12.261 22.795 613 HG SER 78 HG SER 78 0.911 11.879 21.887 614 H HIS 79 H HIS 79 -2.779 10.840 18.886 615 HA HIS 79 HA HIS 79 -3.101 8.605 20.518 616 HB2 HIS 79 HB2 HIS 79 -5.183 9.930 20.879 617 HB3 HIS 79 HB3 HIS 79 -5.717 9.173 19.337 618 HD1 HIS 79 HD1 HIS 79 -4.155 8.210 22.716 619 HD2 HIS 79 HD2 HIS 79 -6.716 6.606 19.825 620 HE1 HIS 79 HE1 HIS 79 -4.896 5.892 23.564 621 HE2 HIS 79 HE2 HIS 79 -6.372 4.903 21.763 622 H VAL 80 H VAL 80 -1.589 8.435 17.974 623 HA VAL 80 HA VAL 80 -3.485 7.364 16.142 624 HB VAL 80 HB VAL 80 -0.390 7.043 16.131 625 HG11 VAL 80 HG11 VAL 80 -0.450 6.722 13.778 626 HG12 VAL 80 HG12 VAL 80 -1.415 5.495 14.584 627 HG13 VAL 80 HG13 VAL 80 -2.240 6.829 13.769 628 HG21 VAL 80 HG21 VAL 80 -0.897 9.371 16.240 629 HG22 VAL 80 HG22 VAL 80 -2.187 9.176 15.038 630 HG23 VAL 80 HG23 VAL 80 -0.492 8.999 14.540 631 H PHE 81 H PHE 81 -4.209 5.406 15.685 632 HA PHE 81 HA PHE 81 -3.180 2.958 16.957 633 HB2 PHE 81 HB2 PHE 81 -5.146 2.566 18.274 634 HB3 PHE 81 HB3 PHE 81 -4.568 4.180 18.677 635 HD1 PHE 81 HD1 PHE 81 -5.804 6.147 17.076 636 HD2 PHE 81 HD2 PHE 81 -7.391 2.218 17.842 637 HE1 PHE 81 HE1 PHE 81 -8.113 6.993 16.559 638 HE2 PHE 81 HE2 PHE 81 -9.698 3.009 17.316 639 HZ PHE 81 HZ PHE 81 -10.059 5.370 16.680 640 H LYS 82 H LYS 82 -4.708 1.080 16.477 641 HA LYS 82 HA LYS 82 -6.011 1.481 13.792 642 HB2 LYS 82 HB2 LYS 82 -4.735 -1.063 14.928 643 HB3 LYS 82 HB3 LYS 82 -5.576 -0.939 13.347 644 HG2 LYS 82 HG2 LYS 82 -3.910 0.635 12.574 645 HG3 LYS 82 HG3 LYS 82 -3.017 0.497 14.132 646 HD2 LYS 82 HD2 LYS 82 -2.790 -1.877 13.784 647 HD3 LYS 82 HD3 LYS 82 -3.619 -1.743 12.217 648 HE2 LYS 82 HE2 LYS 82 -1.281 -1.825 11.796 649 HE3 LYS 82 HE3 LYS 82 -1.891 -0.231 11.408 650 HZ1 LYS 82 HZ1 LYS 82 0.266 -0.359 12.689 651 HZ2 LYS 82 HZ2 LYS 82 -0.634 -0.760 14.003 652 HZ3 LYS 82 HZ3 LYS 82 -0.850 0.705 13.280 653 HA PRO 83 HA PRO 83 -9.527 0.275 16.308 654 HB2 PRO 83 HB2 PRO 83 -11.513 0.619 14.495 655 HB3 PRO 83 HB3 PRO 83 -10.694 2.006 15.250 656 HG2 PRO 83 HG2 PRO 83 -10.125 0.735 12.585 657 HG3 PRO 83 HG3 PRO 83 -10.454 2.440 12.962 658 HD2 PRO 83 HD2 PRO 83 -7.927 1.554 12.736 659 HD3 PRO 83 HD3 PRO 83 -8.341 2.756 13.995 660 H ASN 84 H ASN 84 -10.922 -1.588 16.454 661 HA ASN 84 HA ASN 84 -10.205 -3.744 14.484 662 HB2 ASN 84 HB2 ASN 84 -11.077 -3.906 17.394 663 HB3 ASN 84 HB3 ASN 84 -10.729 -5.300 16.355 664 HD21 ASN 84 HD21 ASN 84 -8.484 -4.826 15.075 665 HD22 ASN 84 HD22 ASN 84 -7.181 -4.415 16.176 666 H ALA 85 H ALA 85 -12.735 -1.679 14.965 667 HA ALA 85 HA ALA 85 -14.785 -3.642 14.110 668 HB1 ALA 85 HB1 ALA 85 -16.336 -2.846 15.879 669 HB2 ALA 85 HB2 ALA 85 -14.981 -1.896 16.540 670 HB3 ALA 85 HB3 ALA 85 -14.950 -3.697 16.512 671 H LEU 86 H LEU 86 -16.912 -2.523 13.878 672 HA LEU 86 HA LEU 86 -16.770 -0.657 11.770 673 HB2 LEU 86 HB2 LEU 86 -19.025 -1.542 13.499 674 HB3 LEU 86 HB3 LEU 86 -19.170 -0.635 11.997 675 HG LEU 86 HG LEU 86 -18.092 -3.421 12.227 676 HD11 LEU 86 HD11 LEU 86 -20.231 -4.030 10.983 677 HD12 LEU 86 HD12 LEU 86 -20.497 -3.412 12.661 678 HD13 LEU 86 HD13 LEU 86 -20.769 -2.333 11.306 679 HD21 LEU 86 HD21 LEU 86 -18.446 -3.317 9.656 680 HD22 LEU 86 HD22 LEU 86 -17.036 -2.484 10.338 681 HD23 LEU 86 HD23 LEU 86 -18.473 -1.537 9.897 682 H ASP 87 H ASP 87 -16.162 0.136 14.930 683 HA ASP 87 HA ASP 87 -17.768 2.591 15.004 684 HB2 ASP 87 HB2 ASP 87 -16.823 2.937 17.197 685 HB3 ASP 87 HB3 ASP 87 -17.356 1.258 17.062 686 H TYR 88 H TYR 88 -16.113 2.257 12.762 687 HA TYR 88 HA TYR 88 -13.546 3.547 12.947 688 HB2 TYR 88 HB2 TYR 88 -15.484 3.252 10.636 689 HB3 TYR 88 HB3 TYR 88 -13.842 3.851 10.486 690 HD1 TYR 88 HD1 TYR 88 -11.927 2.305 11.108 691 HD2 TYR 88 HD2 TYR 88 -15.939 0.922 10.529 692 HE1 TYR 88 HE1 TYR 88 -11.104 0.016 10.642 693 HE2 TYR 88 HE2 TYR 88 -15.115 -1.384 10.107 694 HH TYR 88 HH TYR 88 -11.641 -2.085 9.873 695 H GLY 89 H GLY 89 -12.990 5.667 12.264 696 HA2 GLY 89 HA2 GLY 89 -13.386 7.779 11.380 697 HA3 GLY 89 HA3 GLY 89 -15.117 7.503 11.495 698 H VAL 90 H VAL 90 -13.716 6.715 14.480 699 HA VAL 90 HA VAL 90 -13.684 9.499 15.429 700 HB VAL 90 HB VAL 90 -14.841 8.866 17.533 701 HG11 VAL 90 HG11 VAL 90 -16.074 9.893 15.623 702 HG12 VAL 90 HG12 VAL 90 -16.474 8.286 15.041 703 HG13 VAL 90 HG13 VAL 90 -17.107 8.798 16.598 704 HG21 VAL 90 HG21 VAL 90 -16.215 6.769 17.544 705 HG22 VAL 90 HG22 VAL 90 -14.455 6.444 17.552 706 HG23 VAL 90 HG23 VAL 90 -15.389 6.248 16.056 707 H CYS 91 H CYS 91 -12.487 9.609 17.452 708 HA CYS 91 HA CYS 91 -10.151 7.836 17.512 709 HB2 CYS 91 HB2 CYS 91 -10.109 10.348 17.954 710 HB3 CYS 91 HB3 CYS 91 -11.026 10.015 19.454 711 H GLU 92 H GLU 92 -9.538 6.742 19.569 712 HA GLU 92 HA GLU 92 -11.977 5.648 20.907 713 HB2 GLU 92 HB2 GLU 92 -10.688 3.699 21.587 714 HB3 GLU 92 HB3 GLU 92 -10.446 4.005 19.822 715 HG2 GLU 92 HG2 GLU 92 -8.290 5.086 20.368 716 HG3 GLU 92 HG3 GLU 92 -8.591 4.812 22.098 717 H LYS 93 H LYS 93 -9.355 7.789 21.334 718 HA LYS 93 HA LYS 93 -8.964 7.549 24.248 719 HB2 LYS 93 HB2 LYS 93 -7.257 8.353 22.679 720 HB3 LYS 93 HB3 LYS 93 -8.189 9.755 22.350 721 HG2 LYS 93 HG2 LYS 93 -6.421 10.359 23.772 722 HG3 LYS 93 HG3 LYS 93 -7.926 10.422 24.735 723 HD2 LYS 93 HD2 LYS 93 -7.302 8.172 25.668 724 HD3 LYS 93 HD3 LYS 93 -5.834 8.236 24.672 725 HE2 LYS 93 HE2 LYS 93 -5.198 10.336 25.812 726 HE3 LYS 93 HE3 LYS 93 -6.643 10.185 26.849 727 HZ1 LYS 93 HZ1 LYS 93 -5.724 8.086 27.661 728 HZ2 LYS 93 HZ2 LYS 93 -4.643 9.302 27.927 729 HZ3 LYS 93 HZ3 LYS 93 -4.388 8.252 26.705 730 H CYS 94 H CYS 94 -10.797 9.313 22.033 731 HA CYS 94 HA CYS 94 -12.580 10.596 24.000 732 HB2 CYS 94 HB2 CYS 94 -12.489 12.693 22.681 733 HB3 CYS 94 HB3 CYS 94 -10.896 12.407 23.315 734 H HIS 95 H HIS 95 -14.625 10.974 22.237 735 HA HIS 95 HA HIS 95 -14.174 8.947 20.053 736 HB2 HIS 95 HB2 HIS 95 -16.757 9.346 21.545 737 HB3 HIS 95 HB3 HIS 95 -16.512 8.289 20.170 738 HD1 HIS 95 HD1 HIS 95 -16.288 8.420 23.834 739 HD2 HIS 95 HD2 HIS 95 -14.671 6.061 20.813 740 HE1 HIS 95 HE1 HIS 95 -15.197 6.421 24.959 741 HE2 HIS 95 HE2 HIS 95 -14.193 5.001 23.088 742 H SER 96 H SER 96 -13.537 11.569 20.001 743 HA SER 96 HA SER 96 -15.626 13.129 18.768 744 HB2 SER 96 HB2 SER 96 -13.687 14.171 19.960 745 HB3 SER 96 HB3 SER 96 -12.619 13.504 18.708 746 HG SER 96 HG SER 96 -13.629 14.762 17.151 747 H LYS 97 H LYS 97 -15.990 13.543 16.722 748 HA LYS 97 HA LYS 97 -14.994 11.790 14.594 749 HB2 LYS 97 HB2 LYS 97 -16.837 14.252 14.605 750 HB3 LYS 97 HB3 LYS 97 -16.491 13.251 13.217 751 HG2 LYS 97 HG2 LYS 97 -17.460 11.265 14.373 752 HG3 LYS 97 HG3 LYS 97 -17.781 12.318 15.755 753 HD2 LYS 97 HD2 LYS 97 -19.885 12.164 14.600 754 HD3 LYS 97 HD3 LYS 97 -19.214 13.749 14.247 755 HE2 LYS 97 HE2 LYS 97 -18.316 12.966 12.031 756 HE3 LYS 97 HE3 LYS 97 -19.058 11.389 12.323 757 HZ1 LYS 97 HZ1 LYS 97 -20.442 12.712 10.902 758 HZ2 LYS 97 HZ2 LYS 97 -20.528 13.930 12.029 759 HZ3 LYS 97 HZ3 LYS 97 -21.215 12.475 12.356 760 H ASN 98 H ASN 98 -14.000 12.975 12.684 761 HA ASN 98 HA ASN 98 -12.596 14.449 11.695 762 HB2 ASN 98 HB2 ASN 98 -12.152 16.027 14.269 763 HB3 ASN 98 HB3 ASN 98 -11.582 16.422 12.639 764 HD21 ASN 98 HD21 ASN 98 -13.449 17.763 14.584 765 HD22 ASN 98 HD22 ASN 98 -14.824 18.133 13.575 766 H VAL 99 H VAL 99 -11.850 12.197 12.061 767 HA VAL 99 HA VAL 99 -9.028 12.349 13.060 768 HB VAL 99 HB VAL 99 -9.091 9.921 13.301 769 HG11 VAL 99 HG11 VAL 99 -9.753 11.421 15.268 770 HG12 VAL 99 HG12 VAL 99 -11.442 10.975 14.920 771 HG13 VAL 99 HG13 VAL 99 -10.242 9.742 15.364 772 HG21 VAL 99 HG21 VAL 99 -10.763 9.302 11.726 773 HG22 VAL 99 HG22 VAL 99 -11.212 8.657 13.278 774 HG23 VAL 99 HG23 VAL 99 -12.056 10.117 12.659 775 H ILE 100 H ILE 100 -7.531 11.089 11.630 776 HA ILE 100 HA ILE 100 -8.547 11.021 8.842 777 HB ILE 100 HB ILE 100 -6.451 12.057 8.052 778 HG12 ILE 100 HG12 ILE 100 -5.750 12.498 10.990 779 HG13 ILE 100 HG13 ILE 100 -5.103 11.172 10.022 780 HG21 ILE 100 HG21 ILE 100 -7.770 13.775 10.265 781 HG22 ILE 100 HG22 ILE 100 -8.382 13.537 8.573 782 HG23 ILE 100 HG23 ILE 100 -6.796 14.357 8.886 783 HD11 ILE 100 HD11 ILE 100 -4.022 12.762 8.538 784 HD12 ILE 100 HD12 ILE 100 -3.500 13.018 10.168 785 HD13 ILE 100 HD13 ILE 100 -4.686 14.111 9.420 786 H ILE 101 H ILE 101 -7.091 9.663 7.408 787 HA ILE 101 HA ILE 101 -6.317 7.252 8.987 788 HB ILE 101 HB ILE 101 -6.770 7.654 5.997 789 HG12 ILE 101 HG12 ILE 101 -8.574 6.287 8.003 790 HG13 ILE 101 HG13 ILE 101 -8.841 7.931 7.442 791 HG21 ILE 101 HG21 ILE 101 -6.801 5.095 5.967 792 HG22 ILE 101 HG22 ILE 101 -6.333 5.103 7.666 793 HG23 ILE 101 HG23 ILE 101 -5.216 5.748 6.468 794 HD11 ILE 101 HD11 ILE 101 -8.976 6.994 5.070 795 HD12 ILE 101 HD12 ILE 101 -10.305 6.505 6.155 796 HD13 ILE 101 HD13 ILE 101 -8.938 5.369 5.817 797 H THR 102 H THR 102 -4.193 6.673 9.228 798 HA THR 102 HA THR 102 -2.218 8.192 7.582 799 HB THR 102 HB THR 102 -0.597 7.584 9.334 800 HG1 THR 102 HG1 THR 102 -1.156 6.211 10.912 801 HG21 THR 102 HG21 THR 102 -1.478 9.013 10.976 802 HG22 THR 102 HG22 THR 102 -3.125 8.584 10.614 803 HG23 THR 102 HG23 THR 102 -2.211 9.557 9.437 804 H GLN 103 H GLN 103 -3.452 5.006 8.113 805 HA GLN 103 HA GLN 103 -1.552 3.970 6.081 806 HB2 GLN 103 HB2 GLN 103 -0.704 3.170 8.321 807 HB3 GLN 103 HB3 GLN 103 -2.278 2.445 8.591 808 HG2 GLN 103 HG2 GLN 103 -1.935 0.998 6.651 809 HG3 GLN 103 HG3 GLN 103 -0.346 1.727 6.373 810 HE21 GLN 103 HE21 GLN 103 -1.694 -0.970 7.331 811 HE22 GLN 103 HE22 GLN 103 -0.609 -1.485 8.609 812 H GLY 104 H GLY 104 -2.639 2.555 4.758 813 HA2 GLY 104 HA2 GLY 104 -4.376 1.118 4.083 814 HA3 GLY 104 HA3 GLY 104 -5.313 1.552 5.507 815 H ASN 105 H ASN 105 -4.075 4.418 4.240 816 HA ASN 105 HA ASN 105 -6.720 5.124 3.152 817 HB2 ASN 105 HB2 ASN 105 -5.716 7.356 2.736 818 HB3 ASN 105 HB3 ASN 105 -5.319 6.832 4.400 819 HD21 ASN 105 HD21 ASN 105 -4.074 8.565 2.137 820 HD22 ASN 105 HD22 ASN 105 -2.387 8.111 2.230 821 H GLU 106 H GLU 106 -3.723 3.806 2.153 822 HA GLU 106 HA GLU 106 -4.633 3.738 -0.634 823 HB2 GLU 106 HB2 GLU 106 -1.889 4.645 0.243 824 HB3 GLU 106 HB3 GLU 106 -2.346 4.296 -1.448 825 HG2 GLU 106 HG2 GLU 106 -4.022 6.112 -1.318 826 HG3 GLU 106 HG3 GLU 106 -3.466 6.502 0.291 827 H MET 107 H MET 107 -1.355 2.879 -0.217 828 HA MET 107 HA MET 107 -2.019 -0.017 0.002 829 HB2 MET 107 HB2 MET 107 -2.141 0.840 -2.269 830 HB3 MET 107 HB3 MET 107 -0.616 1.622 -2.097 831 HG2 MET 107 HG2 MET 107 -0.944 -1.344 -2.075 832 HG3 MET 107 HG3 MET 107 -0.611 -0.391 -3.493 833 HE1 MET 107 HE1 MET 107 2.994 1.098 -2.986 834 HE2 MET 107 HE2 MET 107 1.507 1.914 -2.477 835 HE3 MET 107 HE3 MET 107 1.557 1.041 -4.030 836 H ARG 108 H ARG 108 -0.204 -1.395 0.593 837 HA ARG 108 HA ARG 108 2.347 -0.036 1.340 838 HB2 ARG 108 HB2 ARG 108 0.797 -0.129 3.364 839 HB3 ARG 108 HB3 ARG 108 0.751 -1.890 3.163 840 HG2 ARG 108 HG2 ARG 108 3.223 -1.969 3.528 841 HG3 ARG 108 HG3 ARG 108 3.213 -0.209 3.864 842 HD2 ARG 108 HD2 ARG 108 1.599 -0.675 5.737 843 HD3 ARG 108 HD3 ARG 108 1.776 -2.419 5.405 844 HE ARG 108 HE ARG 108 4.358 -1.263 5.801 845 HH11 ARG 108 HH11 ARG 108 5.427 -1.494 7.747 846 HH12 ARG 108 HH12 ARG 108 4.572 -1.974 9.178 847 HH21 ARG 108 HH21 ARG 108 1.491 -2.202 7.605 848 HH22 ARG 108 HH22 ARG 108 2.392 -2.352 9.110 849 H LEU 109 H LEU 109 4.128 -1.440 1.041 850 HA LEU 109 HA LEU 109 3.718 -3.959 -0.432 851 HB2 LEU 109 HB2 LEU 109 6.151 -2.669 0.826 852 HB3 LEU 109 HB3 LEU 109 6.222 -4.204 -0.002 853 HG LEU 109 HG LEU 109 5.457 -1.655 -1.358 854 HD11 LEU 109 HD11 LEU 109 8.079 -3.174 -1.212 855 HD12 LEU 109 HD12 LEU 109 7.755 -1.578 -0.512 856 HD13 LEU 109 HD13 LEU 109 7.744 -1.795 -2.265 857 HD21 LEU 109 HD21 LEU 109 6.086 -3.146 -3.376 858 HD22 LEU 109 HD22 LEU 109 4.594 -3.559 -2.511 859 HD23 LEU 109 HD23 LEU 109 6.083 -4.509 -2.197 860 H LEU 110 H LEU 110 3.622 -6.061 0.439 861 HA LEU 110 HA LEU 110 4.142 -6.100 3.381 862 HB2 LEU 110 HB2 LEU 110 2.769 -8.207 1.685 863 HB3 LEU 110 HB3 LEU 110 2.864 -8.212 3.460 864 HG LEU 110 HG LEU 110 1.432 -6.085 1.800 865 HD11 LEU 110 HD11 LEU 110 0.235 -8.212 1.699 866 HD12 LEU 110 HD12 LEU 110 -0.628 -7.181 2.774 867 HD13 LEU 110 HD13 LEU 110 0.390 -8.457 3.417 868 HD21 LEU 110 HD21 LEU 110 1.304 -6.503 4.775 869 HD22 LEU 110 HD22 LEU 110 0.516 -5.243 3.837 870 HD23 LEU 110 HD23 LEU 110 2.250 -5.244 4.019 871 H SER 111 H SER 111 4.985 -8.057 0.435 872 HA SER 111 HA SER 111 7.627 -8.626 1.541 873 HB2 SER 111 HB2 SER 111 7.460 -11.067 1.423 874 HB3 SER 111 HB3 SER 111 6.245 -10.452 2.554 875 HG SER 111 HG SER 111 5.840 -11.941 0.372 876 H LEU 112 H LEU 112 8.985 -9.574 -0.159 877 HA LEU 112 HA LEU 112 7.823 -9.505 -2.894 878 HB2 LEU 112 HB2 LEU 112 10.388 -8.242 -1.969 879 HB3 LEU 112 HB3 LEU 112 9.925 -8.403 -3.660 880 HG LEU 112 HG LEU 112 8.090 -6.738 -3.270 881 HD11 LEU 112 HD11 LEU 112 7.608 -6.672 -0.979 882 HD12 LEU 112 HD12 LEU 112 8.490 -5.172 -1.262 883 HD13 LEU 112 HD13 LEU 112 9.348 -6.559 -0.528 884 HD21 LEU 112 HD21 LEU 112 10.926 -5.831 -2.521 885 HD22 LEU 112 HD22 LEU 112 9.650 -4.835 -3.276 886 HD23 LEU 112 HD23 LEU 112 10.346 -6.204 -4.193 887 H GLU 113 H GLU 113 8.864 -10.933 -4.389 888 HA GLU 113 HA GLU 113 10.980 -12.775 -3.279 889 HB2 GLU 113 HB2 GLU 113 9.445 -12.863 -5.880 890 HB3 GLU 113 HB3 GLU 113 10.782 -13.877 -5.505 891 HG2 GLU 113 HG2 GLU 113 9.507 -14.927 -3.716 892 HG3 GLU 113 HG3 GLU 113 8.109 -13.940 -4.159 893 H MET 114 H MET 114 13.124 -12.239 -3.940 894 HA MET 114 HA MET 114 13.263 -10.215 -6.166 895 HB2 MET 114 HB2 MET 114 14.789 -10.162 -3.537 896 HB3 MET 114 HB3 MET 114 14.958 -9.020 -4.859 897 HG2 MET 114 HG2 MET 114 12.530 -8.380 -4.597 898 HG3 MET 114 HG3 MET 114 12.418 -9.500 -3.259 899 HE1 MET 114 HE1 MET 114 14.690 -6.730 -4.578 900 HE2 MET 114 HE2 MET 114 14.566 -5.498 -3.255 901 HE3 MET 114 HE3 MET 114 13.147 -5.886 -4.267 902 H LEU 115 H LEU 115 15.102 -10.341 -7.510 903 HA LEU 115 HA LEU 115 16.823 -12.736 -7.056 904 HB2 LEU 115 HB2 LEU 115 16.052 -11.337 -9.601 905 HB3 LEU 115 HB3 LEU 115 17.111 -12.727 -9.493 906 HG LEU 115 HG LEU 115 14.208 -12.734 -8.710 907 HD11 LEU 115 HD11 LEU 115 15.580 -13.853 -11.157 908 HD12 LEU 115 HD12 LEU 115 14.506 -12.393 -11.126 909 HD13 LEU 115 HD13 LEU 115 13.861 -14.022 -10.762 910 HD21 LEU 115 HD21 LEU 115 15.615 -14.459 -7.547 911 HD22 LEU 115 HD22 LEU 115 16.111 -15.039 -9.182 912 HD23 LEU 115 HD23 LEU 115 14.444 -15.149 -8.666 913 H ALA 116 H ALA 116 18.944 -12.452 -6.799 914 HA ALA 116 HA ALA 116 19.933 -9.837 -6.421 915 HB1 ALA 116 HB1 ALA 116 21.469 -12.459 -6.698 916 HB2 ALA 116 HB2 ALA 116 20.836 -11.760 -5.187 917 HB3 ALA 116 HB3 ALA 116 22.116 -10.923 -6.074 918 H GLU 117 H GLU 117 21.427 -8.588 -7.505 919 HA GLU 117 HA GLU 117 21.206 -8.660 -10.377 920 HB2 GLU 117 HB2 GLU 117 22.546 -6.654 -10.287 921 HB3 GLU 117 HB3 GLU 117 21.396 -6.619 -8.969 922 HG2 GLU 117 HG2 GLU 117 23.280 -7.339 -7.406 923 HG3 GLU 117 HG3 GLU 117 24.362 -7.176 -8.796 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -2.882 10.017 -3.635 2 H2 MET 1 H2 MET 1 -3.139 10.324 -5.230 3 H3 MET 1 H3 MET 1 -2.702 8.814 -4.759 4 HA MET 1 HA MET 1 -4.746 8.606 -3.519 5 HB2 MET 1 HB2 MET 1 -5.102 11.003 -3.225 6 HB3 MET 1 HB3 MET 1 -5.424 11.190 -4.956 7 HG2 MET 1 HG2 MET 1 -7.401 9.718 -4.697 8 HG3 MET 1 HG3 MET 1 -7.070 9.578 -2.983 9 HE1 MET 1 HE1 MET 1 -6.343 12.394 -1.873 10 HE2 MET 1 HE2 MET 1 -7.629 11.376 -1.219 11 HE3 MET 1 HE3 MET 1 -7.934 13.121 -1.561 12 H HIS 2 H HIS 2 -4.401 9.952 -6.802 13 HA HIS 2 HA HIS 2 -6.492 8.213 -7.877 14 HB2 HIS 2 HB2 HIS 2 -4.232 9.695 -9.226 15 HB3 HIS 2 HB3 HIS 2 -5.602 8.991 -10.069 16 HD1 HIS 2 HD1 HIS 2 -5.236 11.926 -10.485 17 HD2 HIS 2 HD2 HIS 2 -7.490 10.358 -7.315 18 HE1 HIS 2 HE1 HIS 2 -6.743 13.795 -9.602 19 HE2 HIS 2 HE2 HIS 2 -8.164 12.802 -7.761 20 H GLU 3 H GLU 3 -6.223 6.236 -9.109 21 HA GLU 3 HA GLU 3 -4.285 4.609 -7.844 22 HB2 GLU 3 HB2 GLU 3 -5.866 4.090 -10.401 23 HB3 GLU 3 HB3 GLU 3 -4.992 2.860 -9.482 24 HG2 GLU 3 HG2 GLU 3 -7.227 2.576 -8.735 25 HG3 GLU 3 HG3 GLU 3 -6.578 3.560 -7.468 26 H TYR 4 H TYR 4 -4.151 6.030 -11.129 27 HA TYR 4 HA TYR 4 -1.840 4.435 -11.796 28 HB2 TYR 4 HB2 TYR 4 -2.917 6.971 -13.034 29 HB3 TYR 4 HB3 TYR 4 -1.558 6.029 -13.706 30 HD1 TYR 4 HD1 TYR 4 -1.875 3.966 -14.833 31 HD2 TYR 4 HD2 TYR 4 -5.278 5.967 -13.162 32 HE1 TYR 4 HE1 TYR 4 -3.375 2.478 -16.138 33 HE2 TYR 4 HE2 TYR 4 -6.799 4.466 -14.403 34 HH TYR 4 HH TYR 4 -5.564 1.802 -16.538 35 H SER 5 H SER 5 -2.229 7.595 -10.187 36 HA SER 5 HA SER 5 0.578 8.235 -10.481 37 HB2 SER 5 HB2 SER 5 -1.199 9.948 -10.034 38 HB3 SER 5 HB3 SER 5 -1.479 9.226 -8.442 39 HG SER 5 HG SER 5 0.236 11.085 -9.027 40 H VAL 6 H VAL 6 -1.392 6.631 -8.019 41 HA VAL 6 HA VAL 6 0.725 6.298 -6.107 42 HB VAL 6 HB VAL 6 -1.851 4.743 -6.416 43 HG11 VAL 6 HG11 VAL 6 0.154 4.784 -4.130 44 HG12 VAL 6 HG12 VAL 6 -0.386 3.386 -5.094 45 HG13 VAL 6 HG13 VAL 6 -1.515 4.193 -3.996 46 HG21 VAL 6 HG21 VAL 6 -2.805 6.132 -4.685 47 HG22 VAL 6 HG22 VAL 6 -2.134 7.211 -5.895 48 HG23 VAL 6 HG23 VAL 6 -1.236 6.939 -4.386 49 H VAL 7 H VAL 7 -0.495 4.170 -8.787 50 HA VAL 7 HA VAL 7 1.355 2.074 -8.176 51 HB VAL 7 HB VAL 7 -0.049 2.629 -10.800 52 HG11 VAL 7 HG11 VAL 7 1.979 1.239 -11.108 53 HG12 VAL 7 HG12 VAL 7 0.488 0.293 -11.313 54 HG13 VAL 7 HG13 VAL 7 1.412 0.157 -9.801 55 HG21 VAL 7 HG21 VAL 7 -1.526 0.734 -10.069 56 HG22 VAL 7 HG22 VAL 7 -0.664 0.665 -8.529 57 HG23 VAL 7 HG23 VAL 7 -1.638 2.064 -8.907 58 H SER 8 H SER 8 1.589 5.091 -10.076 59 HA SER 8 HA SER 8 4.095 4.345 -11.312 60 HB2 SER 8 HB2 SER 8 2.771 6.327 -12.097 61 HB3 SER 8 HB3 SER 8 3.090 7.121 -10.527 62 HG SER 8 HG SER 8 4.650 7.872 -11.940 63 H SER 9 H SER 9 3.217 5.784 -8.150 64 HA SER 9 HA SER 9 6.009 6.194 -7.532 65 HB2 SER 9 HB2 SER 9 5.221 6.780 -5.243 66 HB3 SER 9 HB3 SER 9 4.171 7.532 -6.439 67 HG SER 9 HG SER 9 2.884 5.409 -6.104 68 H LEU 10 H LEU 10 3.807 3.491 -7.389 69 HA LEU 10 HA LEU 10 5.138 1.927 -5.357 70 HB2 LEU 10 HB2 LEU 10 2.864 1.387 -6.214 71 HB3 LEU 10 HB3 LEU 10 3.548 1.013 -7.775 72 HG LEU 10 HG LEU 10 4.784 -0.836 -6.882 73 HD11 LEU 10 HD11 LEU 10 4.149 -1.777 -4.668 74 HD12 LEU 10 HD12 LEU 10 3.345 -0.247 -4.286 75 HD13 LEU 10 HD13 LEU 10 5.108 -0.315 -4.551 76 HD21 LEU 10 HD21 LEU 10 2.822 -2.300 -6.707 77 HD22 LEU 10 HD22 LEU 10 1.795 -0.929 -6.232 78 HD23 LEU 10 HD23 LEU 10 2.496 -1.048 -7.863 79 H ILE 11 H ILE 11 5.508 2.269 -8.903 80 HA ILE 11 HA ILE 11 7.339 0.112 -9.083 81 HB ILE 11 HB ILE 11 7.217 2.638 -10.805 82 HG12 ILE 11 HG12 ILE 11 5.075 1.351 -10.853 83 HG13 ILE 11 HG13 ILE 11 5.902 1.274 -12.397 84 HG21 ILE 11 HG21 ILE 11 9.328 1.627 -11.209 85 HG22 ILE 11 HG22 ILE 11 8.262 1.113 -12.556 86 HG23 ILE 11 HG23 ILE 11 8.652 -0.012 -11.221 87 HD11 ILE 11 HD11 ILE 11 4.933 -0.948 -11.820 88 HD12 ILE 11 HD12 ILE 11 5.819 -0.977 -10.294 89 HD13 ILE 11 HD13 ILE 11 6.697 -1.063 -11.826 90 H ALA 12 H ALA 12 7.769 3.597 -8.497 91 HA ALA 12 HA ALA 12 10.647 3.458 -8.472 92 HB1 ALA 12 HB1 ALA 12 9.534 5.564 -8.886 93 HB2 ALA 12 HB2 ALA 12 10.517 5.700 -7.434 94 HB3 ALA 12 HB3 ALA 12 8.756 5.500 -7.290 95 H LEU 13 H LEU 13 8.138 3.071 -6.069 96 HA LEU 13 HA LEU 13 9.906 3.021 -3.863 97 HB2 LEU 13 HB2 LEU 13 7.427 3.328 -3.776 98 HB3 LEU 13 HB3 LEU 13 7.246 1.604 -4.171 99 HG LEU 13 HG LEU 13 8.209 1.005 -2.047 100 HD11 LEU 13 HD11 LEU 13 8.546 2.765 -0.341 101 HD12 LEU 13 HD12 LEU 13 8.435 3.987 -1.587 102 HD13 LEU 13 HD13 LEU 13 9.731 2.779 -1.623 103 HD21 LEU 13 HD21 LEU 13 5.974 3.074 -1.819 104 HD22 LEU 13 HD22 LEU 13 6.304 1.720 -0.668 105 HD23 LEU 13 HD23 LEU 13 5.786 1.353 -2.305 106 H CYS 14 H CYS 14 8.670 0.543 -6.037 107 HA CYS 14 HA CYS 14 9.835 -1.720 -4.695 108 HB2 CYS 14 HB2 CYS 14 9.090 -1.332 -7.599 109 HB3 CYS 14 HB3 CYS 14 9.581 -2.843 -6.867 110 HG CYS 14 HG CYS 14 6.928 -1.038 -6.422 111 H GLU 15 H GLU 15 11.038 0.518 -7.249 112 HA GLU 15 HA GLU 15 13.500 -0.910 -7.525 113 HB2 GLU 15 HB2 GLU 15 12.795 1.931 -8.246 114 HB3 GLU 15 HB3 GLU 15 14.325 1.107 -8.626 115 HG2 GLU 15 HG2 GLU 15 13.063 -0.607 -9.907 116 HG3 GLU 15 HG3 GLU 15 11.565 0.276 -9.636 117 H GLU 16 H GLU 16 12.577 1.812 -5.316 118 HA GLU 16 HA GLU 16 15.309 2.060 -4.542 119 HB2 GLU 16 HB2 GLU 16 14.695 3.326 -2.626 120 HB3 GLU 16 HB3 GLU 16 13.637 3.844 -3.977 121 HG2 GLU 16 HG2 GLU 16 11.828 2.513 -2.966 122 HG3 GLU 16 HG3 GLU 16 12.925 2.017 -1.652 123 H HIS 17 H HIS 17 12.682 -0.106 -3.496 124 HA HIS 17 HA HIS 17 14.117 -1.120 -1.180 125 HB2 HIS 17 HB2 HIS 17 11.858 -2.301 -2.798 126 HB3 HIS 17 HB3 HIS 17 12.546 -3.063 -1.383 127 HD1 HIS 17 HD1 HIS 17 12.404 -1.895 0.967 128 HD2 HIS 17 HD2 HIS 17 9.873 -0.419 -1.995 129 HE1 HIS 17 HE1 HIS 17 10.495 -0.615 2.153 130 HE2 HIS 17 HE2 HIS 17 9.072 0.343 0.350 131 H ALA 18 H ALA 18 14.274 -1.700 -4.625 132 HA ALA 18 HA ALA 18 15.599 -4.273 -4.365 133 HB1 ALA 18 HB1 ALA 18 16.226 -3.926 -6.724 134 HB2 ALA 18 HB2 ALA 18 15.827 -2.238 -6.654 135 HB3 ALA 18 HB3 ALA 18 14.564 -3.477 -6.538 136 H LYS 19 H LYS 19 16.608 -0.842 -4.403 137 HA LYS 19 HA LYS 19 19.429 -1.421 -4.341 138 HB2 LYS 19 HB2 LYS 19 17.859 0.913 -3.253 139 HB3 LYS 19 HB3 LYS 19 19.587 0.892 -3.519 140 HG2 LYS 19 HG2 LYS 19 19.299 0.649 -5.919 141 HG3 LYS 19 HG3 LYS 19 17.531 0.626 -5.712 142 HD2 LYS 19 HD2 LYS 19 17.613 2.893 -4.666 143 HD3 LYS 19 HD3 LYS 19 19.384 2.897 -4.971 144 HE2 LYS 19 HE2 LYS 19 18.933 2.636 -7.330 145 HE3 LYS 19 HE3 LYS 19 17.189 2.579 -7.046 146 HZ1 LYS 19 HZ1 LYS 19 17.814 4.697 -7.800 147 HZ2 LYS 19 HZ2 LYS 19 18.986 4.899 -6.624 148 HZ3 LYS 19 HZ3 LYS 19 17.369 4.829 -6.213 149 H LYS 20 H LYS 20 16.887 -1.026 -1.911 150 HA LYS 20 HA LYS 20 18.717 -0.969 0.348 151 HB2 LYS 20 HB2 LYS 20 15.767 -1.634 0.212 152 HB3 LYS 20 HB3 LYS 20 16.699 -1.429 1.721 153 HG2 LYS 20 HG2 LYS 20 17.252 0.861 1.090 154 HG3 LYS 20 HG3 LYS 20 16.275 0.715 -0.377 155 HD2 LYS 20 HD2 LYS 20 14.272 0.223 1.012 156 HD3 LYS 20 HD3 LYS 20 15.282 0.462 2.465 157 HE2 LYS 20 HE2 LYS 20 15.748 2.777 1.734 158 HE3 LYS 20 HE3 LYS 20 14.735 2.531 0.286 159 HZ1 LYS 20 HZ1 LYS 20 13.613 3.624 2.224 160 HZ2 LYS 20 HZ2 LYS 20 13.764 2.218 3.068 161 HZ3 LYS 20 HZ3 LYS 20 12.825 2.262 1.702 162 H ASN 21 H ASN 21 17.161 -3.580 -1.415 163 HA ASN 21 HA ASN 21 18.068 -5.434 0.691 164 HB2 ASN 21 HB2 ASN 21 15.669 -5.441 -0.287 165 HB3 ASN 21 HB3 ASN 21 16.415 -6.076 -1.776 166 HD21 ASN 21 HD21 ASN 21 15.789 -8.163 -1.849 167 HD22 ASN 21 HD22 ASN 21 15.951 -9.317 -0.558 168 H GLN 22 H GLN 22 19.494 -4.019 -1.792 169 HA GLN 22 HA GLN 22 21.227 -4.507 -3.202 170 HB2 GLN 22 HB2 GLN 22 21.679 -6.794 -1.251 171 HB3 GLN 22 HB3 GLN 22 22.841 -6.201 -2.441 172 HG2 GLN 22 HG2 GLN 22 22.792 -3.973 -1.354 173 HG3 GLN 22 HG3 GLN 22 21.702 -4.651 -0.129 174 HE21 GLN 22 HE21 GLN 22 24.870 -3.946 -0.708 175 HE22 GLN 22 HE22 GLN 22 25.575 -4.955 0.501 176 H ALA 23 H ALA 23 18.825 -5.334 -4.134 177 HA ALA 23 HA ALA 23 19.381 -7.977 -5.429 178 HB1 ALA 23 HB1 ALA 23 16.794 -6.782 -4.287 179 HB2 ALA 23 HB2 ALA 23 17.600 -8.338 -3.876 180 HB3 ALA 23 HB3 ALA 23 16.803 -8.137 -5.443 181 H HIS 24 H HIS 24 18.821 -8.082 -7.660 182 HA HIS 24 HA HIS 24 18.725 -5.355 -8.845 183 HB2 HIS 24 HB2 HIS 24 19.888 -6.329 -10.735 184 HB3 HIS 24 HB3 HIS 24 20.670 -6.919 -9.255 185 HD1 HIS 24 HD1 HIS 24 19.097 -8.007 -12.385 186 HD2 HIS 24 HD2 HIS 24 19.988 -9.719 -8.697 187 HE1 HIS 24 HE1 HIS 24 18.880 -10.544 -12.655 188 HE2 HIS 24 HE2 HIS 24 19.512 -11.561 -10.420 189 H LYS 25 H LYS 25 16.623 -8.092 -8.459 190 HA LYS 25 HA LYS 25 14.810 -7.011 -10.590 191 HB2 LYS 25 HB2 LYS 25 16.527 -8.630 -11.492 192 HB3 LYS 25 HB3 LYS 25 15.791 -9.897 -10.517 193 HG2 LYS 25 HG2 LYS 25 14.449 -8.323 -12.751 194 HG3 LYS 25 HG3 LYS 25 15.211 -9.933 -12.922 195 HD2 LYS 25 HD2 LYS 25 13.611 -10.848 -11.345 196 HD3 LYS 25 HD3 LYS 25 12.763 -9.297 -11.361 197 HE2 LYS 25 HE2 LYS 25 13.374 -11.006 -13.780 198 HE3 LYS 25 HE3 LYS 25 11.804 -10.878 -12.963 199 HZ1 LYS 25 HZ1 LYS 25 11.921 -9.485 -14.891 200 HZ2 LYS 25 HZ2 LYS 25 13.259 -8.700 -14.313 201 HZ3 LYS 25 HZ3 LYS 25 11.828 -8.526 -13.520 202 H ILE 26 H ILE 26 12.593 -7.389 -9.944 203 HA ILE 26 HA ILE 26 12.225 -8.943 -7.451 204 HB ILE 26 HB ILE 26 10.501 -6.792 -8.709 205 HG12 ILE 26 HG12 ILE 26 12.257 -6.747 -6.197 206 HG13 ILE 26 HG13 ILE 26 12.804 -6.107 -7.745 207 HG21 ILE 26 HG21 ILE 26 9.143 -8.453 -7.351 208 HG22 ILE 26 HG22 ILE 26 10.303 -8.332 -6.023 209 HG23 ILE 26 HG23 ILE 26 9.280 -6.945 -6.410 210 HD11 ILE 26 HD11 ILE 26 10.881 -4.475 -7.702 211 HD12 ILE 26 HD12 ILE 26 10.467 -5.093 -6.063 212 HD13 ILE 26 HD13 ILE 26 12.054 -4.301 -6.375 213 H GLU 27 H GLU 27 11.126 -10.851 -7.545 214 HA GLU 27 HA GLU 27 9.842 -11.644 -10.092 215 HB2 GLU 27 HB2 GLU 27 10.505 -13.155 -7.583 216 HB3 GLU 27 HB3 GLU 27 9.660 -13.857 -8.955 217 HG2 GLU 27 HG2 GLU 27 12.425 -12.727 -9.046 218 HG3 GLU 27 HG3 GLU 27 11.978 -14.418 -8.983 219 H ARG 28 H ARG 28 8.870 -10.874 -6.783 220 HA ARG 28 HA ARG 28 6.050 -11.045 -7.667 221 HB2 ARG 28 HB2 ARG 28 6.570 -13.201 -6.506 222 HB3 ARG 28 HB3 ARG 28 6.985 -12.316 -5.054 223 HG2 ARG 28 HG2 ARG 28 4.674 -11.367 -4.935 224 HG3 ARG 28 HG3 ARG 28 4.193 -12.352 -6.333 225 HD2 ARG 28 HD2 ARG 28 5.256 -13.525 -3.690 226 HD3 ARG 28 HD3 ARG 28 3.565 -13.471 -4.202 227 HE ARG 28 HE ARG 28 5.666 -15.309 -5.210 228 HH11 ARG 28 HH11 ARG 28 2.358 -14.188 -5.593 229 HH12 ARG 28 HH12 ARG 28 1.927 -15.590 -6.547 230 HH21 ARG 28 HH21 ARG 28 5.033 -17.006 -6.440 231 HH22 ARG 28 HH22 ARG 28 3.401 -17.107 -7.052 232 H VAL 29 H VAL 29 4.829 -9.429 -6.749 233 HA VAL 29 HA VAL 29 5.990 -7.922 -4.410 234 HB VAL 29 HB VAL 29 4.451 -6.734 -6.802 235 HG11 VAL 29 HG11 VAL 29 4.648 -4.586 -5.694 236 HG12 VAL 29 HG12 VAL 29 5.685 -5.291 -4.414 237 HG13 VAL 29 HG13 VAL 29 3.957 -5.728 -4.512 238 HG21 VAL 29 HG21 VAL 29 6.527 -5.450 -7.266 239 HG22 VAL 29 HG22 VAL 29 6.800 -7.232 -7.352 240 HG23 VAL 29 HG23 VAL 29 7.340 -6.306 -5.927 241 H VAL 30 H VAL 30 4.500 -8.076 -2.711 242 HA VAL 30 HA VAL 30 1.654 -8.436 -3.606 243 HB VAL 30 HB VAL 30 1.179 -9.636 -1.541 244 HG11 VAL 30 HG11 VAL 30 3.631 -10.953 -2.736 245 HG12 VAL 30 HG12 VAL 30 2.102 -10.856 -3.643 246 HG13 VAL 30 HG13 VAL 30 2.166 -11.753 -2.136 247 HG21 VAL 30 HG21 VAL 30 2.826 -8.696 -0.018 248 HG22 VAL 30 HG22 VAL 30 4.138 -9.484 -0.960 249 HG23 VAL 30 HG23 VAL 30 2.971 -10.463 -0.038 250 H VAL 31 H VAL 31 0.223 -6.928 -2.723 251 HA VAL 31 HA VAL 31 1.495 -4.823 -1.022 252 HB VAL 31 HB VAL 31 0.109 -3.157 -2.237 253 HG11 VAL 31 HG11 VAL 31 2.427 -3.555 -2.945 254 HG12 VAL 31 HG12 VAL 31 1.899 -4.793 -4.127 255 HG13 VAL 31 HG13 VAL 31 1.407 -3.061 -4.318 256 HG21 VAL 31 HG21 VAL 31 -0.527 -5.367 -4.263 257 HG22 VAL 31 HG22 VAL 31 -1.705 -4.736 -3.090 258 HG23 VAL 31 HG23 VAL 31 -1.059 -3.645 -4.308 259 H GLY 32 H GLY 32 -0.138 -3.552 0.151 260 HA2 GLY 32 HA2 GLY 32 -2.569 -5.110 0.714 261 HA3 GLY 32 HA3 GLY 32 -1.742 -4.106 1.926 262 H ILE 33 H ILE 33 -4.471 -3.894 0.440 263 HA ILE 33 HA ILE 33 -4.064 -0.998 -0.185 264 HB ILE 33 HB ILE 33 -6.010 -2.828 -1.644 265 HG12 ILE 33 HG12 ILE 33 -3.663 -1.195 -2.638 266 HG13 ILE 33 HG13 ILE 33 -3.608 -2.952 -2.388 267 HG21 ILE 33 HG21 ILE 33 -6.579 -0.714 -2.927 268 HG22 ILE 33 HG22 ILE 33 -5.646 0.210 -1.748 269 HG23 ILE 33 HG23 ILE 33 -7.086 -0.663 -1.251 270 HD11 ILE 33 HD11 ILE 33 -5.057 -1.307 -4.477 271 HD12 ILE 33 HD12 ILE 33 -5.607 -2.943 -4.131 272 HD13 ILE 33 HD13 ILE 33 -3.956 -2.657 -4.744 273 H GLY 34 H GLY 34 -5.249 0.195 1.235 274 HA2 GLY 34 HA2 GLY 34 -6.587 -1.163 3.356 275 HA3 GLY 34 HA3 GLY 34 -6.565 0.606 3.008 276 H GLU 35 H GLU 35 -8.668 -1.228 3.974 277 HA GLU 35 HA GLU 35 -10.638 -1.550 1.984 278 HB2 GLU 35 HB2 GLU 35 -12.022 -2.120 3.824 279 HB3 GLU 35 HB3 GLU 35 -10.419 -2.763 4.129 280 HG2 GLU 35 HG2 GLU 35 -9.977 -0.821 5.570 281 HG3 GLU 35 HG3 GLU 35 -11.607 -0.282 5.307 282 H ARG 36 H ARG 36 -9.717 1.403 3.650 283 HA ARG 36 HA ARG 36 -12.207 2.602 2.532 284 HB2 ARG 36 HB2 ARG 36 -10.512 3.540 4.830 285 HB3 ARG 36 HB3 ARG 36 -11.854 4.451 4.165 286 HG2 ARG 36 HG2 ARG 36 -13.410 2.723 4.764 287 HG3 ARG 36 HG3 ARG 36 -12.113 1.736 5.409 288 HD2 ARG 36 HD2 ARG 36 -11.553 3.526 6.984 289 HD3 ARG 36 HD3 ARG 36 -12.926 4.469 6.365 290 HE ARG 36 HE ARG 36 -12.989 2.137 8.173 291 HH11 ARG 36 HH11 ARG 36 -14.896 4.258 6.065 292 HH12 ARG 36 HH12 ARG 36 -16.423 3.721 6.754 293 HH21 ARG 36 HH21 ARG 36 -14.923 1.478 8.956 294 HH22 ARG 36 HH22 ARG 36 -16.414 2.273 8.453 295 H SER 37 H SER 37 -9.504 1.925 1.263 296 HA SER 37 HA SER 37 -8.105 4.462 1.071 297 HB2 SER 37 HB2 SER 37 -6.867 3.427 -0.709 298 HB3 SER 37 HB3 SER 37 -6.969 2.266 0.605 299 HG SER 37 HG SER 37 -8.439 1.100 -0.467 300 H ALA 38 H ALA 38 -8.040 5.870 -0.826 301 HA ALA 38 HA ALA 38 -10.646 6.124 -2.162 302 HB1 ALA 38 HB1 ALA 38 -9.444 8.075 -1.277 303 HB2 ALA 38 HB2 ALA 38 -9.800 8.179 -3.027 304 HB3 ALA 38 HB3 ALA 38 -8.105 7.753 -2.423 305 H MET 39 H MET 39 -9.101 3.736 -2.836 306 HA MET 39 HA MET 39 -8.387 4.240 -5.663 307 HB2 MET 39 HB2 MET 39 -7.148 2.375 -3.655 308 HB3 MET 39 HB3 MET 39 -6.714 2.473 -5.336 309 HG2 MET 39 HG2 MET 39 -5.985 4.761 -5.001 310 HG3 MET 39 HG3 MET 39 -6.503 4.703 -3.310 311 HE1 MET 39 HE1 MET 39 -3.917 3.782 -5.857 312 HE2 MET 39 HE2 MET 39 -2.957 2.565 -5.024 313 HE3 MET 39 HE3 MET 39 -4.593 2.160 -5.533 314 H ASP 40 H ASP 40 -9.320 2.989 -7.187 315 HA ASP 40 HA ASP 40 -11.067 0.800 -6.247 316 HB2 ASP 40 HB2 ASP 40 -10.351 1.851 -8.998 317 HB3 ASP 40 HB3 ASP 40 -11.426 0.499 -8.694 318 H LYS 41 H LYS 41 -10.481 -1.425 -6.331 319 HA LYS 41 HA LYS 41 -7.714 -2.128 -6.775 320 HB2 LYS 41 HB2 LYS 41 -10.235 -3.747 -6.441 321 HB3 LYS 41 HB3 LYS 41 -8.625 -4.494 -6.531 322 HG2 LYS 41 HG2 LYS 41 -7.926 -3.295 -4.530 323 HG3 LYS 41 HG3 LYS 41 -9.447 -2.467 -4.452 324 HD2 LYS 41 HD2 LYS 41 -9.513 -4.210 -2.840 325 HD3 LYS 41 HD3 LYS 41 -10.607 -4.664 -4.167 326 HE2 LYS 41 HE2 LYS 41 -8.820 -6.173 -5.046 327 HE3 LYS 41 HE3 LYS 41 -7.793 -5.603 -3.711 328 HZ1 LYS 41 HZ1 LYS 41 -9.209 -6.612 -2.150 329 HZ2 LYS 41 HZ2 LYS 41 -8.952 -7.749 -3.316 330 HZ3 LYS 41 HZ3 LYS 41 -10.369 -6.923 -3.262 331 H SER 42 H SER 42 -10.599 -2.161 -8.812 332 HA SER 42 HA SER 42 -9.480 -3.945 -10.769 333 HB2 SER 42 HB2 SER 42 -11.908 -3.425 -10.559 334 HB3 SER 42 HB3 SER 42 -11.557 -1.765 -11.129 335 HG SER 42 HG SER 42 -12.246 -3.149 -12.853 336 H LEU 43 H LEU 43 -9.501 -0.390 -10.371 337 HA LEU 43 HA LEU 43 -8.054 0.060 -12.831 338 HB2 LEU 43 HB2 LEU 43 -8.436 1.858 -10.432 339 HB3 LEU 43 HB3 LEU 43 -7.705 2.358 -11.954 340 HG LEU 43 HG LEU 43 -10.532 1.326 -11.667 341 HD11 LEU 43 HD11 LEU 43 -11.179 3.713 -11.947 342 HD12 LEU 43 HD12 LEU 43 -9.433 4.175 -12.077 343 HD13 LEU 43 HD13 LEU 43 -10.095 3.529 -10.534 344 HD21 LEU 43 HD21 LEU 43 -9.790 0.950 -13.938 345 HD22 LEU 43 HD22 LEU 43 -8.978 2.499 -13.992 346 HD23 LEU 43 HD23 LEU 43 -10.733 2.407 -13.989 347 H PHE 44 H PHE 44 -7.218 -0.710 -9.516 348 HA PHE 44 HA PHE 44 -4.507 0.243 -9.704 349 HB2 PHE 44 HB2 PHE 44 -5.693 -0.322 -7.540 350 HB3 PHE 44 HB3 PHE 44 -5.685 -2.014 -7.983 351 HD1 PHE 44 HD1 PHE 44 -3.651 0.826 -6.835 352 HD2 PHE 44 HD2 PHE 44 -3.618 -3.346 -7.942 353 HE1 PHE 44 HE1 PHE 44 -1.476 0.552 -5.753 354 HE2 PHE 44 HE2 PHE 44 -1.368 -3.598 -6.905 355 HZ PHE 44 HZ PHE 44 -0.262 -1.668 -5.790 356 H VAL 45 H VAL 45 -6.032 -3.010 -10.298 357 HA VAL 45 HA VAL 45 -3.406 -4.112 -10.819 358 HB VAL 45 HB VAL 45 -4.547 -6.151 -11.682 359 HG11 VAL 45 HG11 VAL 45 -5.992 -5.148 -9.209 360 HG12 VAL 45 HG12 VAL 45 -4.312 -5.717 -9.238 361 HG13 VAL 45 HG13 VAL 45 -5.618 -6.832 -9.619 362 HG21 VAL 45 HG21 VAL 45 -7.002 -6.325 -11.754 363 HG22 VAL 45 HG22 VAL 45 -6.445 -5.046 -12.863 364 HG23 VAL 45 HG23 VAL 45 -7.149 -4.607 -11.283 365 H SER 46 H SER 46 -5.778 -2.387 -12.724 366 HA SER 46 HA SER 46 -4.720 -3.270 -15.311 367 HB2 SER 46 HB2 SER 46 -7.014 -2.280 -15.074 368 HB3 SER 46 HB3 SER 46 -6.324 -0.738 -14.585 369 HG SER 46 HG SER 46 -5.692 -2.100 -16.990 370 H ALA 47 H ALA 47 -4.243 -0.549 -13.029 371 HA ALA 47 HA ALA 47 -2.338 0.840 -14.704 372 HB1 ALA 47 HB1 ALA 47 -1.808 1.937 -12.509 373 HB2 ALA 47 HB2 ALA 47 -2.841 0.819 -11.690 374 HB3 ALA 47 HB3 ALA 47 -3.499 1.977 -12.864 375 H PHE 48 H PHE 48 -1.999 -1.805 -12.287 376 HA PHE 48 HA PHE 48 0.832 -1.495 -12.232 377 HB2 PHE 48 HB2 PHE 48 -0.578 -2.716 -10.526 378 HB3 PHE 48 HB3 PHE 48 -0.720 -4.053 -11.696 379 HD1 PHE 48 HD1 PHE 48 1.594 -2.076 -9.572 380 HD2 PHE 48 HD2 PHE 48 1.140 -5.588 -12.055 381 HE1 PHE 48 HE1 PHE 48 3.809 -2.917 -8.802 382 HE2 PHE 48 HE2 PHE 48 3.352 -6.492 -11.224 383 HZ PHE 48 HZ PHE 48 4.694 -5.118 -9.606 384 H GLU 49 H GLU 49 -1.380 -3.390 -14.372 385 HA GLU 49 HA GLU 49 0.793 -4.752 -15.698 386 HB2 GLU 49 HB2 GLU 49 -1.983 -3.920 -16.670 387 HB3 GLU 49 HB3 GLU 49 -0.900 -4.947 -17.613 388 HG2 GLU 49 HG2 GLU 49 -0.985 -6.627 -15.838 389 HG3 GLU 49 HG3 GLU 49 -2.098 -5.625 -14.926 390 H THR 50 H THR 50 -0.801 -1.627 -16.164 391 HA THR 50 HA THR 50 0.468 -0.936 -18.617 392 HB THR 50 HB THR 50 -0.392 0.906 -16.310 393 HG1 THR 50 HG1 THR 50 -2.088 -0.429 -16.984 394 HG21 THR 50 HG21 THR 50 0.933 2.026 -18.048 395 HG22 THR 50 HG22 THR 50 -0.754 2.580 -17.990 396 HG23 THR 50 HG23 THR 50 -0.250 1.469 -19.294 397 H PHE 51 H PHE 51 1.404 -0.474 -15.233 398 HA PHE 51 HA PHE 51 3.923 0.867 -15.954 399 HB2 PHE 51 HB2 PHE 51 2.702 0.173 -13.261 400 HB3 PHE 51 HB3 PHE 51 4.348 0.746 -13.520 401 HD1 PHE 51 HD1 PHE 51 0.764 1.835 -13.455 402 HD2 PHE 51 HD2 PHE 51 4.796 2.940 -14.587 403 HE1 PHE 51 HE1 PHE 51 0.115 4.203 -13.570 404 HE2 PHE 51 HE2 PHE 51 4.085 5.294 -14.717 405 HZ PHE 51 HZ PHE 51 1.760 5.951 -14.270 406 H ARG 52 H ARG 52 3.213 -2.593 -15.413 407 HA ARG 52 HA ARG 52 5.843 -3.184 -14.362 408 HB2 ARG 52 HB2 ARG 52 4.142 -4.872 -16.297 409 HB3 ARG 52 HB3 ARG 52 5.646 -5.384 -15.530 410 HG2 ARG 52 HG2 ARG 52 4.614 -5.245 -13.354 411 HG3 ARG 52 HG3 ARG 52 3.029 -4.897 -14.155 412 HD2 ARG 52 HD2 ARG 52 3.292 -6.929 -15.540 413 HD3 ARG 52 HD3 ARG 52 4.838 -7.271 -14.728 414 HE ARG 52 HE ARG 52 3.756 -8.023 -12.864 415 HH11 ARG 52 HH11 ARG 52 1.269 -6.789 -15.066 416 HH12 ARG 52 HH12 ARG 52 -0.017 -7.429 -14.042 417 HH21 ARG 52 HH21 ARG 52 2.144 -8.833 -11.724 418 HH22 ARG 52 HH22 ARG 52 0.465 -8.596 -12.196 419 H GLU 53 H GLU 53 4.812 -2.678 -17.724 420 HA GLU 53 HA GLU 53 7.286 -3.658 -18.820 421 HB2 GLU 53 HB2 GLU 53 6.488 -2.726 -20.918 422 HB3 GLU 53 HB3 GLU 53 5.191 -3.530 -20.046 423 HG2 GLU 53 HG2 GLU 53 4.289 -1.388 -19.376 424 HG3 GLU 53 HG3 GLU 53 5.546 -0.535 -20.286 425 H GLU 54 H GLU 54 6.353 -0.655 -17.390 426 HA GLU 54 HA GLU 54 8.270 1.058 -18.677 427 HB2 GLU 54 HB2 GLU 54 6.929 1.315 -16.022 428 HB3 GLU 54 HB3 GLU 54 7.824 2.592 -16.836 429 HG2 GLU 54 HG2 GLU 54 5.308 1.278 -17.880 430 HG3 GLU 54 HG3 GLU 54 5.392 2.838 -17.097 431 H SER 55 H SER 55 8.563 -1.353 -16.107 432 HA SER 55 HA SER 55 11.417 -0.446 -15.709 433 HB2 SER 55 HB2 SER 55 10.123 0.369 -13.834 434 HB3 SER 55 HB3 SER 55 9.386 -1.217 -13.563 435 HG SER 55 HG SER 55 11.950 -0.303 -12.960 436 H LEU 56 H LEU 56 12.822 -2.009 -16.008 437 HA LEU 56 HA LEU 56 12.179 -4.701 -16.649 438 HB2 LEU 56 HB2 LEU 56 14.212 -3.468 -17.272 439 HB3 LEU 56 HB3 LEU 56 14.808 -3.593 -15.585 440 HG LEU 56 HG LEU 56 15.974 -5.034 -17.145 441 HD11 LEU 56 HD11 LEU 56 16.193 -6.911 -15.746 442 HD12 LEU 56 HD12 LEU 56 14.476 -6.974 -15.371 443 HD13 LEU 56 HD13 LEU 56 15.517 -5.695 -14.664 444 HD21 LEU 56 HD21 LEU 56 14.892 -7.002 -18.153 445 HD22 LEU 56 HD22 LEU 56 14.161 -5.501 -18.724 446 HD23 LEU 56 HD23 LEU 56 13.332 -6.536 -17.476 447 H VAL 57 H VAL 57 13.117 -3.135 -13.621 448 HA VAL 57 HA VAL 57 13.617 -5.455 -12.067 449 HB VAL 57 HB VAL 57 12.618 -2.738 -11.170 450 HG11 VAL 57 HG11 VAL 57 13.545 -3.277 -8.984 451 HG12 VAL 57 HG12 VAL 57 12.290 -4.417 -9.420 452 HG13 VAL 57 HG13 VAL 57 14.005 -4.899 -9.548 453 HG21 VAL 57 HG21 VAL 57 15.433 -3.878 -11.433 454 HG22 VAL 57 HG22 VAL 57 15.023 -2.354 -10.610 455 HG23 VAL 57 HG23 VAL 57 14.726 -2.493 -12.335 456 H CYS 58 H CYS 58 10.582 -3.745 -12.752 457 HA CYS 58 HA CYS 58 9.129 -5.699 -11.001 458 HB2 CYS 58 HB2 CYS 58 8.237 -3.129 -12.387 459 HB3 CYS 58 HB3 CYS 58 7.228 -4.058 -11.238 460 HG CYS 58 HG CYS 58 10.066 -2.360 -10.848 461 H LYS 59 H LYS 59 9.983 -5.639 -14.251 462 HA LYS 59 HA LYS 59 7.482 -5.859 -15.576 463 HB2 LYS 59 HB2 LYS 59 9.679 -5.333 -16.562 464 HB3 LYS 59 HB3 LYS 59 10.127 -7.047 -16.460 465 HG2 LYS 59 HG2 LYS 59 8.224 -7.604 -17.988 466 HG3 LYS 59 HG3 LYS 59 7.753 -5.893 -17.993 467 HD2 LYS 59 HD2 LYS 59 8.991 -6.269 -19.982 468 HD3 LYS 59 HD3 LYS 59 10.038 -5.317 -18.888 469 HE2 LYS 59 HE2 LYS 59 11.178 -7.373 -18.247 470 HE3 LYS 59 HE3 LYS 59 10.190 -8.313 -19.382 471 HZ1 LYS 59 HZ1 LYS 59 11.153 -7.095 -21.208 472 HZ2 LYS 59 HZ2 LYS 59 12.409 -7.651 -20.274 473 HZ3 LYS 59 HZ3 LYS 59 11.966 -6.033 -20.173 474 H ASP 60 H ASP 60 9.388 -8.479 -14.093 475 HA ASP 60 HA ASP 60 7.375 -10.392 -15.156 476 HB2 ASP 60 HB2 ASP 60 10.069 -10.764 -13.853 477 HB3 ASP 60 HB3 ASP 60 9.010 -12.104 -14.330 478 H ALA 61 H ALA 61 7.473 -8.346 -12.635 479 HA ALA 61 HA ALA 61 7.353 -10.128 -10.414 480 HB1 ALA 61 HB1 ALA 61 7.956 -7.771 -10.127 481 HB2 ALA 61 HB2 ALA 61 6.517 -8.143 -9.169 482 HB3 ALA 61 HB3 ALA 61 6.352 -7.252 -10.701 483 H ILE 62 H ILE 62 5.684 -11.291 -9.607 484 HA ILE 62 HA ILE 62 3.031 -11.267 -10.950 485 HB ILE 62 HB ILE 62 4.124 -12.841 -8.500 486 HG12 ILE 62 HG12 ILE 62 3.652 -13.809 -11.336 487 HG13 ILE 62 HG13 ILE 62 5.208 -13.201 -10.771 488 HG21 ILE 62 HG21 ILE 62 1.554 -13.139 -10.110 489 HG22 ILE 62 HG22 ILE 62 1.667 -12.609 -8.416 490 HG23 ILE 62 HG23 ILE 62 2.124 -14.269 -8.841 491 HD11 ILE 62 HD11 ILE 62 5.282 -14.966 -9.063 492 HD12 ILE 62 HD12 ILE 62 5.143 -15.644 -10.681 493 HD13 ILE 62 HD13 ILE 62 3.742 -15.612 -9.614 494 H LEU 63 H LEU 63 1.302 -10.073 -10.063 495 HA LEU 63 HA LEU 63 1.889 -8.649 -7.504 496 HB2 LEU 63 HB2 LEU 63 1.512 -7.366 -9.532 497 HB3 LEU 63 HB3 LEU 63 -0.082 -8.065 -9.724 498 HG LEU 63 HG LEU 63 -0.027 -5.700 -9.071 499 HD11 LEU 63 HD11 LEU 63 -1.274 -7.332 -6.869 500 HD12 LEU 63 HD12 LEU 63 -1.973 -7.082 -8.481 501 HD13 LEU 63 HD13 LEU 63 -1.728 -5.738 -7.379 502 HD21 LEU 63 HD21 LEU 63 2.002 -5.700 -7.692 503 HD22 LEU 63 HD22 LEU 63 0.635 -4.999 -6.831 504 HD23 LEU 63 HD23 LEU 63 1.129 -6.638 -6.448 505 H ASP 64 H ASP 64 0.741 -9.060 -5.665 506 HA ASP 64 HA ASP 64 -1.978 -10.270 -5.895 507 HB2 ASP 64 HB2 ASP 64 0.099 -10.745 -3.818 508 HB3 ASP 64 HB3 ASP 64 -1.562 -11.278 -3.654 509 H ILE 65 H ILE 65 -3.551 -9.462 -4.417 510 HA ILE 65 HA ILE 65 -2.691 -7.002 -2.935 511 HB ILE 65 HB ILE 65 -5.414 -7.499 -4.253 512 HG12 ILE 65 HG12 ILE 65 -3.318 -5.407 -4.966 513 HG13 ILE 65 HG13 ILE 65 -3.560 -6.932 -5.833 514 HG21 ILE 65 HG21 ILE 65 -5.863 -5.083 -3.489 515 HG22 ILE 65 HG22 ILE 65 -4.347 -5.143 -2.537 516 HG23 ILE 65 HG23 ILE 65 -5.732 -6.246 -2.181 517 HD11 ILE 65 HD11 ILE 65 -5.645 -4.704 -5.678 518 HD12 ILE 65 HD12 ILE 65 -5.814 -6.282 -6.480 519 HD13 ILE 65 HD13 ILE 65 -4.614 -5.153 -7.031 520 H VAL 66 H VAL 66 -3.060 -7.029 -0.862 521 HA VAL 66 HA VAL 66 -4.976 -9.061 0.235 522 HB VAL 66 HB VAL 66 -2.498 -7.757 1.508 523 HG11 VAL 66 HG11 VAL 66 -4.407 -9.831 2.646 524 HG12 VAL 66 HG12 VAL 66 -4.184 -8.151 3.210 525 HG13 VAL 66 HG13 VAL 66 -2.856 -9.330 3.366 526 HG21 VAL 66 HG21 VAL 66 -1.538 -10.049 1.476 527 HG22 VAL 66 HG22 VAL 66 -1.873 -9.438 -0.153 528 HG23 VAL 66 HG23 VAL 66 -2.958 -10.606 0.571 529 H ASP 67 H ASP 67 -6.814 -8.203 1.141 530 HA ASP 67 HA ASP 67 -7.049 -5.306 1.317 531 HB2 ASP 67 HB2 ASP 67 -8.857 -7.474 2.338 532 HB3 ASP 67 HB3 ASP 67 -9.231 -5.772 2.346 533 H GLU 68 H GLU 68 -6.740 -3.965 3.162 534 HA GLU 68 HA GLU 68 -6.396 -5.439 5.726 535 HB2 GLU 68 HB2 GLU 68 -4.595 -3.154 4.791 536 HB3 GLU 68 HB3 GLU 68 -4.586 -3.875 6.415 537 HG2 GLU 68 HG2 GLU 68 -3.980 -6.076 5.357 538 HG3 GLU 68 HG3 GLU 68 -3.773 -5.199 3.792 539 H LYS 69 H LYS 69 -6.855 -4.359 7.594 540 HA LYS 69 HA LYS 69 -9.010 -2.375 7.373 541 HB2 LYS 69 HB2 LYS 69 -7.619 -3.673 9.752 542 HB3 LYS 69 HB3 LYS 69 -8.768 -2.349 9.932 543 HG2 LYS 69 HG2 LYS 69 -10.033 -4.291 10.286 544 HG3 LYS 69 HG3 LYS 69 -10.464 -3.625 8.724 545 HD2 LYS 69 HD2 LYS 69 -9.093 -5.337 7.582 546 HD3 LYS 69 HD3 LYS 69 -8.705 -5.998 9.188 547 HE2 LYS 69 HE2 LYS 69 -10.461 -7.272 8.198 548 HE3 LYS 69 HE3 LYS 69 -11.078 -6.380 9.643 549 HZ1 LYS 69 HZ1 LYS 69 -12.651 -6.128 7.901 550 HZ2 LYS 69 HZ2 LYS 69 -11.539 -5.767 6.739 551 HZ3 LYS 69 HZ3 LYS 69 -11.874 -4.704 7.941 552 H VAL 70 H VAL 70 -8.918 -0.309 8.184 553 HA VAL 70 HA VAL 70 -6.499 1.098 7.692 554 HB VAL 70 HB VAL 70 -7.728 3.126 8.406 555 HG11 VAL 70 HG11 VAL 70 -9.441 3.001 6.671 556 HG12 VAL 70 HG12 VAL 70 -9.554 1.263 6.790 557 HG13 VAL 70 HG13 VAL 70 -8.066 2.018 6.136 558 HG21 VAL 70 HG21 VAL 70 -9.900 1.214 9.277 559 HG22 VAL 70 HG22 VAL 70 -10.008 2.970 9.166 560 HG23 VAL 70 HG23 VAL 70 -8.871 2.249 10.315 561 H GLU 71 H GLU 71 -5.351 2.592 9.026 562 HA GLU 71 HA GLU 71 -5.292 1.909 11.923 563 HB2 GLU 71 HB2 GLU 71 -3.290 1.028 10.709 564 HB3 GLU 71 HB3 GLU 71 -2.966 2.664 10.132 565 HG2 GLU 71 HG2 GLU 71 -2.658 3.404 12.436 566 HG3 GLU 71 HG3 GLU 71 -3.008 1.772 12.997 567 H LEU 72 H LEU 72 -5.229 3.723 13.204 568 HA LEU 72 HA LEU 72 -5.813 6.230 11.726 569 HB2 LEU 72 HB2 LEU 72 -7.009 5.243 14.337 570 HB3 LEU 72 HB3 LEU 72 -7.384 6.790 13.587 571 HG LEU 72 HG LEU 72 -8.091 4.038 12.425 572 HD11 LEU 72 HD11 LEU 72 -10.363 4.615 13.084 573 HD12 LEU 72 HD12 LEU 72 -9.256 4.573 14.469 574 HD13 LEU 72 HD13 LEU 72 -9.794 6.171 13.809 575 HD21 LEU 72 HD21 LEU 72 -9.463 5.249 10.834 576 HD22 LEU 72 HD22 LEU 72 -7.769 5.739 10.747 577 HD23 LEU 72 HD23 LEU 72 -8.945 6.809 11.525 578 H GLU 73 H GLU 73 -5.257 8.159 12.550 579 HA GLU 73 HA GLU 73 -3.547 8.225 15.048 580 HB2 GLU 73 HB2 GLU 73 -2.116 8.487 13.078 581 HB3 GLU 73 HB3 GLU 73 -3.138 9.728 12.429 582 HG2 GLU 73 HG2 GLU 73 -2.575 11.181 14.289 583 HG3 GLU 73 HG3 GLU 73 -1.563 9.922 14.994 584 H CYS 74 H CYS 74 -4.063 9.957 16.313 585 HA CYS 74 HA CYS 74 -6.617 11.323 15.581 586 HB2 CYS 74 HB2 CYS 74 -6.412 9.938 17.724 587 HB3 CYS 74 HB3 CYS 74 -5.110 11.045 18.212 588 H LYS 75 H LYS 75 -6.647 13.490 15.422 589 HA LYS 75 HA LYS 75 -4.156 14.875 14.963 590 HB2 LYS 75 HB2 LYS 75 -6.954 15.915 15.382 591 HB3 LYS 75 HB3 LYS 75 -5.566 16.877 14.862 592 HG2 LYS 75 HG2 LYS 75 -5.266 15.323 12.883 593 HG3 LYS 75 HG3 LYS 75 -6.673 14.458 13.420 594 HD2 LYS 75 HD2 LYS 75 -7.313 15.812 11.662 595 HD3 LYS 75 HD3 LYS 75 -8.023 16.548 13.108 596 HE2 LYS 75 HE2 LYS 75 -6.158 18.224 13.114 597 HE3 LYS 75 HE3 LYS 75 -5.439 17.391 11.711 598 HZ1 LYS 75 HZ1 LYS 75 -7.327 17.933 10.479 599 HZ2 LYS 75 HZ2 LYS 75 -6.796 19.316 11.182 600 HZ3 LYS 75 HZ3 LYS 75 -8.109 18.537 11.783 601 H ASP 76 H ASP 76 -3.267 16.607 16.501 602 HA ASP 76 HA ASP 76 -2.094 15.014 18.184 603 HB2 ASP 76 HB2 ASP 76 -1.080 16.844 19.350 604 HB3 ASP 76 HB3 ASP 76 -1.322 17.266 17.648 605 H CYS 77 H CYS 77 -2.978 13.693 18.995 606 HA CYS 77 HA CYS 77 -3.456 13.753 21.887 607 HB2 CYS 77 HB2 CYS 77 -5.718 13.658 20.907 608 HB3 CYS 77 HB3 CYS 77 -5.129 12.451 19.734 609 H SER 78 H SER 78 -1.610 12.132 22.302 610 HA SER 78 HA SER 78 -0.450 11.052 19.875 611 HB2 SER 78 HB2 SER 78 1.049 12.036 21.464 612 HB3 SER 78 HB3 SER 78 0.494 10.865 22.694 613 HG SER 78 HG SER 78 1.985 10.339 20.357 614 H HIS 79 H HIS 79 -1.633 9.366 19.104 615 HA HIS 79 HA HIS 79 -1.960 7.169 20.853 616 HB2 HIS 79 HB2 HIS 79 -3.877 8.769 21.254 617 HB3 HIS 79 HB3 HIS 79 -4.601 8.154 19.774 618 HD1 HIS 79 HD1 HIS 79 -2.935 6.783 23.028 619 HD2 HIS 79 HD2 HIS 79 -6.033 5.795 20.373 620 HE1 HIS 79 HE1 HIS 79 -4.069 4.655 23.941 621 HE2 HIS 79 HE2 HIS 79 -5.855 4.035 22.280 622 H VAL 80 H VAL 80 -0.624 7.003 18.188 623 HA VAL 80 HA VAL 80 -2.724 6.191 16.394 624 HB VAL 80 HB VAL 80 0.274 5.648 16.244 625 HG11 VAL 80 HG11 VAL 80 -0.024 5.463 13.775 626 HG12 VAL 80 HG12 VAL 80 -1.788 5.661 13.967 627 HG13 VAL 80 HG13 VAL 80 -0.970 4.231 14.608 628 HG21 VAL 80 HG21 VAL 80 0.103 7.932 16.361 629 HG22 VAL 80 HG22 VAL 80 -1.306 7.949 15.295 630 HG23 VAL 80 HG23 VAL 80 0.302 7.545 14.650 631 H PHE 81 H PHE 81 -3.620 4.384 15.873 632 HA PHE 81 HA PHE 81 -2.650 1.764 16.906 633 HB2 PHE 81 HB2 PHE 81 -4.686 1.450 18.213 634 HB3 PHE 81 HB3 PHE 81 -4.010 2.941 18.761 635 HD1 PHE 81 HD1 PHE 81 -6.948 1.281 17.636 636 HD2 PHE 81 HD2 PHE 81 -5.043 5.126 17.492 637 HE1 PHE 81 HE1 PHE 81 -9.167 2.350 17.218 638 HE2 PHE 81 HE2 PHE 81 -7.210 6.202 17.071 639 HZ PHE 81 HZ PHE 81 -9.324 4.843 16.968 640 H LYS 82 H LYS 82 -4.115 0.063 16.197 641 HA LYS 82 HA LYS 82 -5.353 0.801 13.605 642 HB2 LYS 82 HB2 LYS 82 -3.233 -0.450 13.471 643 HB3 LYS 82 HB3 LYS 82 -4.034 -1.782 14.283 644 HG2 LYS 82 HG2 LYS 82 -5.662 -1.954 12.377 645 HG3 LYS 82 HG3 LYS 82 -4.864 -0.557 11.616 646 HD2 LYS 82 HD2 LYS 82 -2.746 -1.817 11.642 647 HD3 LYS 82 HD3 LYS 82 -3.592 -3.253 12.257 648 HE2 LYS 82 HE2 LYS 82 -5.090 -3.159 10.259 649 HE3 LYS 82 HE3 LYS 82 -4.150 -1.801 9.628 650 HZ1 LYS 82 HZ1 LYS 82 -3.457 -3.946 8.706 651 HZ2 LYS 82 HZ2 LYS 82 -2.977 -4.444 10.218 652 HZ3 LYS 82 HZ3 LYS 82 -2.237 -3.147 9.501 653 HA PRO 83 HA PRO 83 -8.747 -1.018 15.926 654 HB2 PRO 83 HB2 PRO 83 -10.856 0.085 14.616 655 HB3 PRO 83 HB3 PRO 83 -9.880 1.005 15.815 656 HG2 PRO 83 HG2 PRO 83 -9.614 0.948 12.844 657 HG3 PRO 83 HG3 PRO 83 -9.756 2.338 13.894 658 HD2 PRO 83 HD2 PRO 83 -7.357 1.471 12.993 659 HD3 PRO 83 HD3 PRO 83 -7.527 2.121 14.651 660 H ASN 84 H ASN 84 -10.039 -2.836 15.538 661 HA ASN 84 HA ASN 84 -10.123 -3.879 12.762 662 HB2 ASN 84 HB2 ASN 84 -10.060 -5.310 15.419 663 HB3 ASN 84 HB3 ASN 84 -10.292 -6.122 13.837 664 HD21 ASN 84 HD21 ASN 84 -8.023 -5.701 16.069 665 HD22 ASN 84 HD22 ASN 84 -6.607 -5.700 15.068 666 H ALA 85 H ALA 85 -11.935 -2.204 14.844 667 HA ALA 85 HA ALA 85 -14.414 -3.860 14.562 668 HB1 ALA 85 HB1 ALA 85 -13.491 -3.613 16.936 669 HB2 ALA 85 HB2 ALA 85 -15.141 -3.069 16.720 670 HB3 ALA 85 HB3 ALA 85 -13.833 -1.835 16.834 671 H LEU 86 H LEU 86 -16.405 -2.601 14.661 672 HA LEU 86 HA LEU 86 -16.387 -0.731 12.498 673 HB2 LEU 86 HB2 LEU 86 -18.570 -1.483 14.485 674 HB3 LEU 86 HB3 LEU 86 -18.774 -0.670 12.938 675 HG LEU 86 HG LEU 86 -17.730 -3.469 13.255 676 HD11 LEU 86 HD11 LEU 86 -20.429 -2.529 12.442 677 HD12 LEU 86 HD12 LEU 86 -20.031 -3.436 13.865 678 HD13 LEU 86 HD13 LEU 86 -19.863 -4.211 12.296 679 HD21 LEU 86 HD21 LEU 86 -18.447 -1.954 10.737 680 HD22 LEU 86 HD22 LEU 86 -18.085 -3.712 10.806 681 HD23 LEU 86 HD23 LEU 86 -16.816 -2.500 11.205 682 H ASP 87 H ASP 87 -15.304 0.015 15.468 683 HA ASP 87 HA ASP 87 -16.818 2.469 16.005 684 HB2 ASP 87 HB2 ASP 87 -15.294 2.748 17.896 685 HB3 ASP 87 HB3 ASP 87 -15.904 1.072 17.854 686 H TYR 88 H TYR 88 -15.228 2.001 13.412 687 HA TYR 88 HA TYR 88 -12.858 3.544 13.316 688 HB2 TYR 88 HB2 TYR 88 -14.984 3.165 11.199 689 HB3 TYR 88 HB3 TYR 88 -13.342 3.780 10.889 690 HD1 TYR 88 HD1 TYR 88 -15.411 0.811 11.091 691 HD2 TYR 88 HD2 TYR 88 -11.383 2.143 11.546 692 HE1 TYR 88 HE1 TYR 88 -14.603 -1.550 10.730 693 HE2 TYR 88 HE2 TYR 88 -10.578 -0.256 11.191 694 HH TYR 88 HH TYR 88 -11.147 -2.368 10.853 695 H GLY 89 H GLY 89 -12.388 5.639 12.765 696 HA2 GLY 89 HA2 GLY 89 -12.817 7.792 12.040 697 HA3 GLY 89 HA3 GLY 89 -14.547 7.551 12.279 698 H VAL 90 H VAL 90 -12.933 6.610 15.122 699 HA VAL 90 HA VAL 90 -12.670 9.390 16.094 700 HB VAL 90 HB VAL 90 -13.721 8.753 18.262 701 HG11 VAL 90 HG11 VAL 90 -15.068 9.885 16.545 702 HG12 VAL 90 HG12 VAL 90 -15.607 8.332 15.929 703 HG13 VAL 90 HG13 VAL 90 -16.098 8.864 17.551 704 HG21 VAL 90 HG21 VAL 90 -13.410 6.299 18.175 705 HG22 VAL 90 HG22 VAL 90 -14.630 6.185 16.928 706 HG23 VAL 90 HG23 VAL 90 -15.074 6.688 18.545 707 H CYS 91 H CYS 91 -11.407 9.358 18.085 708 HA CYS 91 HA CYS 91 -9.160 7.479 17.907 709 HB2 CYS 91 HB2 CYS 91 -8.889 9.906 18.512 710 HB3 CYS 91 HB3 CYS 91 -9.808 9.653 19.979 711 H GLU 92 H GLU 92 -8.553 6.248 19.953 712 HA GLU 92 HA GLU 92 -11.057 5.327 21.300 713 HB2 GLU 92 HB2 GLU 92 -9.997 3.279 21.818 714 HB3 GLU 92 HB3 GLU 92 -9.899 3.607 20.087 715 HG2 GLU 92 HG2 GLU 92 -7.608 4.327 20.327 716 HG3 GLU 92 HG3 GLU 92 -7.724 4.021 22.065 717 H LYS 93 H LYS 93 -8.055 7.002 21.865 718 HA LYS 93 HA LYS 93 -7.956 6.535 24.718 719 HB2 LYS 93 HB2 LYS 93 -6.072 7.339 23.299 720 HB3 LYS 93 HB3 LYS 93 -6.883 8.856 23.129 721 HG2 LYS 93 HG2 LYS 93 -5.237 9.125 24.781 722 HG3 LYS 93 HG3 LYS 93 -6.769 9.046 25.635 723 HD2 LYS 93 HD2 LYS 93 -6.372 6.650 26.095 724 HD3 LYS 93 HD3 LYS 93 -4.813 6.764 25.237 725 HE2 LYS 93 HE2 LYS 93 -4.090 8.453 26.880 726 HE3 LYS 93 HE3 LYS 93 -5.641 8.282 27.732 727 HZ1 LYS 93 HZ1 LYS 93 -5.058 5.930 28.089 728 HZ2 LYS 93 HZ2 LYS 93 -3.947 6.976 28.763 729 HZ3 LYS 93 HZ3 LYS 93 -3.597 6.210 27.339 730 H CYS 94 H CYS 94 -9.459 8.778 22.534 731 HA CYS 94 HA CYS 94 -11.147 10.043 24.633 732 HB2 CYS 94 HB2 CYS 94 -10.832 12.253 23.531 733 HB3 CYS 94 HB3 CYS 94 -9.218 11.657 24.042 734 H HIS 95 H HIS 95 -13.113 10.723 23.097 735 HA HIS 95 HA HIS 95 -13.060 8.832 20.760 736 HB2 HIS 95 HB2 HIS 95 -15.348 9.578 22.586 737 HB3 HIS 95 HB3 HIS 95 -15.487 8.614 21.107 738 HD1 HIS 95 HD1 HIS 95 -16.116 7.603 24.101 739 HD2 HIS 95 HD2 HIS 95 -12.650 6.769 21.878 740 HE1 HIS 95 HE1 HIS 95 -15.100 5.471 25.058 741 HE2 HIS 95 HE2 HIS 95 -12.982 5.010 23.682 742 H SER 96 H SER 96 -12.087 11.430 20.827 743 HA SER 96 HA SER 96 -14.088 13.201 19.795 744 HB2 SER 96 HB2 SER 96 -12.121 14.021 20.954 745 HB3 SER 96 HB3 SER 96 -11.056 13.355 19.679 746 HG SER 96 HG SER 96 -11.876 14.876 18.267 747 H LYS 97 H LYS 97 -14.610 13.681 17.762 748 HA LYS 97 HA LYS 97 -13.697 12.027 15.513 749 HB2 LYS 97 HB2 LYS 97 -15.427 14.549 15.742 750 HB3 LYS 97 HB3 LYS 97 -15.093 13.663 14.246 751 HG2 LYS 97 HG2 LYS 97 -16.081 11.633 15.172 752 HG3 LYS 97 HG3 LYS 97 -16.422 12.537 16.693 753 HD2 LYS 97 HD2 LYS 97 -18.465 12.455 15.459 754 HD3 LYS 97 HD3 LYS 97 -17.855 14.101 15.329 755 HE2 LYS 97 HE2 LYS 97 -18.661 13.448 13.165 756 HE3 LYS 97 HE3 LYS 97 -16.904 13.525 13.059 757 HZ1 LYS 97 HZ1 LYS 97 -18.451 11.018 13.518 758 HZ2 LYS 97 HZ2 LYS 97 -16.827 11.132 13.242 759 HZ3 LYS 97 HZ3 LYS 97 -17.897 11.504 12.039 760 H ASN 98 H ASN 98 -12.724 13.228 13.681 761 HA ASN 98 HA ASN 98 -11.169 14.687 12.712 762 HB2 ASN 98 HB2 ASN 98 -10.673 16.010 15.360 763 HB3 ASN 98 HB3 ASN 98 -9.941 16.433 13.814 764 HD21 ASN 98 HD21 ASN 98 -12.122 17.455 15.882 765 HD22 ASN 98 HD22 ASN 98 -13.264 18.230 14.805 766 H VAL 99 H VAL 99 -10.771 12.276 12.989 767 HA VAL 99 HA VAL 99 -7.947 12.006 13.866 768 HB VAL 99 HB VAL 99 -8.316 9.566 13.990 769 HG11 VAL 99 HG11 VAL 99 -10.422 11.002 15.676 770 HG12 VAL 99 HG12 VAL 99 -9.614 9.437 16.036 771 HG13 VAL 99 HG13 VAL 99 -8.633 10.960 16.024 772 HG21 VAL 99 HG21 VAL 99 -10.604 8.643 13.958 773 HG22 VAL 99 HG22 VAL 99 -10.115 9.304 12.372 774 HG23 VAL 99 HG23 VAL 99 -11.229 10.216 13.446 775 H ILE 100 H ILE 100 -6.748 10.568 12.277 776 HA ILE 100 HA ILE 100 -7.807 10.852 9.484 777 HB ILE 100 HB ILE 100 -5.594 11.457 8.707 778 HG12 ILE 100 HG12 ILE 100 -4.775 11.746 11.605 779 HG13 ILE 100 HG13 ILE 100 -4.383 10.340 10.602 780 HG21 ILE 100 HG21 ILE 100 -5.610 13.819 9.435 781 HG22 ILE 100 HG22 ILE 100 -6.449 13.380 10.944 782 HG23 ILE 100 HG23 ILE 100 -7.257 13.231 9.392 783 HD11 ILE 100 HD11 ILE 100 -2.443 11.664 10.572 784 HD12 ILE 100 HD12 ILE 100 -3.370 13.163 10.303 785 HD13 ILE 100 HD13 ILE 100 -3.232 11.955 9.016 786 H ILE 101 H ILE 101 -6.701 9.394 8.022 787 HA ILE 101 HA ILE 101 -6.157 6.794 9.356 788 HB ILE 101 HB ILE 101 -6.934 7.391 6.499 789 HG12 ILE 101 HG12 ILE 101 -8.548 6.093 8.639 790 HG13 ILE 101 HG13 ILE 101 -8.721 7.796 8.217 791 HG21 ILE 101 HG21 ILE 101 -5.530 5.415 6.693 792 HG22 ILE 101 HG22 ILE 101 -6.605 4.778 7.959 793 HG23 ILE 101 HG23 ILE 101 -7.192 4.919 6.309 794 HD11 ILE 101 HD11 ILE 101 -10.490 6.535 7.160 795 HD12 ILE 101 HD12 ILE 101 -9.292 5.412 6.430 796 HD13 ILE 101 HD13 ILE 101 -9.353 7.117 5.904 797 H THR 102 H THR 102 -4.082 6.175 9.457 798 HA THR 102 HA THR 102 -2.156 7.692 7.775 799 HB THR 102 HB THR 102 -0.388 6.806 9.279 800 HG1 THR 102 HG1 THR 102 -1.232 5.707 11.169 801 HG21 THR 102 HG21 THR 102 -1.570 8.921 9.766 802 HG22 THR 102 HG22 THR 102 -1.014 8.041 11.194 803 HG23 THR 102 HG23 THR 102 -2.734 7.987 10.750 804 H GLN 103 H GLN 103 -3.270 4.422 8.444 805 HA GLN 103 HA GLN 103 -1.835 3.629 5.941 806 HB2 GLN 103 HB2 GLN 103 -1.902 1.887 8.402 807 HB3 GLN 103 HB3 GLN 103 -1.324 1.399 6.803 808 HG2 GLN 103 HG2 GLN 103 0.370 3.266 6.917 809 HG3 GLN 103 HG3 GLN 103 -0.122 3.513 8.636 810 HE21 GLN 103 HE21 GLN 103 -0.004 1.459 9.950 811 HE22 GLN 103 HE22 GLN 103 1.318 0.357 9.601 812 H GLY 104 H GLY 104 -3.012 2.160 4.672 813 HA2 GLY 104 HA2 GLY 104 -4.932 0.924 4.118 814 HA3 GLY 104 HA3 GLY 104 -5.728 1.385 5.637 815 H ASN 105 H ASN 105 -4.233 4.062 4.187 816 HA ASN 105 HA ASN 105 -6.884 5.126 3.329 817 HB2 ASN 105 HB2 ASN 105 -5.210 6.362 4.856 818 HB3 ASN 105 HB3 ASN 105 -4.198 6.555 3.464 819 HD21 ASN 105 HD21 ASN 105 -5.399 8.494 5.143 820 HD22 ASN 105 HD22 ASN 105 -6.449 9.494 4.161 821 H GLU 106 H GLU 106 -3.908 3.837 2.276 822 HA GLU 106 HA GLU 106 -4.424 4.152 -0.577 823 HB2 GLU 106 HB2 GLU 106 -2.298 5.167 -0.984 824 HB3 GLU 106 HB3 GLU 106 -3.203 6.170 0.152 825 HG2 GLU 106 HG2 GLU 106 -1.963 5.333 2.024 826 HG3 GLU 106 HG3 GLU 106 -1.011 4.209 1.025 827 H MET 107 H MET 107 -2.307 3.188 -1.602 828 HA MET 107 HA MET 107 -2.121 0.386 -0.975 829 HB2 MET 107 HB2 MET 107 -1.700 1.533 -3.202 830 HB3 MET 107 HB3 MET 107 -0.314 2.329 -2.497 831 HG2 MET 107 HG2 MET 107 0.745 0.090 -2.238 832 HG3 MET 107 HG3 MET 107 -0.632 -0.552 -3.167 833 HE1 MET 107 HE1 MET 107 2.778 2.478 -4.413 834 HE2 MET 107 HE2 MET 107 2.686 1.597 -2.849 835 HE3 MET 107 HE3 MET 107 1.576 2.928 -3.222 836 H ARG 108 H ARG 108 -0.471 -0.844 -0.124 837 HA ARG 108 HA ARG 108 1.951 0.507 1.116 838 HB2 ARG 108 HB2 ARG 108 -0.018 0.071 2.699 839 HB3 ARG 108 HB3 ARG 108 0.096 -1.635 2.286 840 HG2 ARG 108 HG2 ARG 108 2.400 -1.698 3.265 841 HG3 ARG 108 HG3 ARG 108 2.153 -0.009 3.769 842 HD2 ARG 108 HD2 ARG 108 0.098 -0.752 4.999 843 HD3 ARG 108 HD3 ARG 108 0.441 -2.445 4.525 844 HE ARG 108 HE ARG 108 2.701 -1.311 5.846 845 HH11 ARG 108 HH11 ARG 108 3.077 -1.825 7.883 846 HH12 ARG 108 HH12 ARG 108 1.940 -2.745 8.847 847 HH21 ARG 108 HH21 ARG 108 -0.511 -2.757 6.413 848 HH22 ARG 108 HH22 ARG 108 -0.093 -3.155 8.070 849 H LEU 109 H LEU 109 3.807 -0.963 1.077 850 HA LEU 109 HA LEU 109 3.485 -3.442 -0.587 851 HB2 LEU 109 HB2 LEU 109 5.848 -1.900 0.524 852 HB3 LEU 109 HB3 LEU 109 5.988 -3.570 -0.115 853 HG LEU 109 HG LEU 109 5.060 -1.242 -1.810 854 HD11 LEU 109 HD11 LEU 109 7.783 -2.479 -1.498 855 HD12 LEU 109 HD12 LEU 109 7.294 -0.835 -1.026 856 HD13 LEU 109 HD13 LEU 109 7.293 -1.287 -2.705 857 HD21 LEU 109 HD21 LEU 109 5.706 -2.893 -3.624 858 HD22 LEU 109 HD22 LEU 109 4.407 -3.454 -2.648 859 HD23 LEU 109 HD23 LEU 109 6.019 -4.092 -2.364 860 H LEU 110 H LEU 110 3.489 -5.444 0.349 861 HA LEU 110 HA LEU 110 3.978 -5.442 3.283 862 HB2 LEU 110 HB2 LEU 110 2.432 -7.492 1.626 863 HB3 LEU 110 HB3 LEU 110 2.665 -7.541 3.379 864 HG LEU 110 HG LEU 110 1.256 -5.258 1.893 865 HD11 LEU 110 HD11 LEU 110 0.049 -7.584 3.453 866 HD12 LEU 110 HD12 LEU 110 0.073 -7.424 1.678 867 HD13 LEU 110 HD13 LEU 110 -0.820 -6.268 2.655 868 HD21 LEU 110 HD21 LEU 110 0.367 -4.791 4.203 869 HD22 LEU 110 HD22 LEU 110 1.531 -5.959 4.874 870 HD23 LEU 110 HD23 LEU 110 2.111 -4.491 3.998 871 H SER 111 H SER 111 4.648 -7.494 0.437 872 HA SER 111 HA SER 111 7.240 -8.196 1.684 873 HB2 SER 111 HB2 SER 111 5.275 -10.263 0.756 874 HB3 SER 111 HB3 SER 111 6.920 -10.563 1.343 875 HG SER 111 HG SER 111 6.124 -9.378 3.318 876 H LEU 112 H LEU 112 8.778 -9.004 0.079 877 HA LEU 112 HA LEU 112 7.811 -8.973 -2.734 878 HB2 LEU 112 HB2 LEU 112 10.402 -7.685 -1.688 879 HB3 LEU 112 HB3 LEU 112 9.996 -7.929 -3.374 880 HG LEU 112 HG LEU 112 8.159 -6.261 -3.230 881 HD11 LEU 112 HD11 LEU 112 9.204 -5.857 -0.360 882 HD12 LEU 112 HD12 LEU 112 7.543 -6.108 -0.898 883 HD13 LEU 112 HD13 LEU 112 8.368 -4.588 -1.243 884 HD21 LEU 112 HD21 LEU 112 10.884 -5.267 -2.325 885 HD22 LEU 112 HD22 LEU 112 9.624 -4.379 -3.236 886 HD23 LEU 112 HD23 LEU 112 10.444 -5.769 -3.977 887 H GLU 113 H GLU 113 8.767 -10.509 -4.069 888 HA GLU 113 HA GLU 113 10.722 -12.399 -2.765 889 HB2 GLU 113 HB2 GLU 113 8.637 -13.414 -3.834 890 HB3 GLU 113 HB3 GLU 113 9.185 -12.730 -5.387 891 HG2 GLU 113 HG2 GLU 113 9.928 -14.999 -5.381 892 HG3 GLU 113 HG3 GLU 113 11.382 -14.044 -5.036 893 H MET 114 H MET 114 12.888 -12.000 -3.393 894 HA MET 114 HA MET 114 13.176 -10.275 -5.875 895 HB2 MET 114 HB2 MET 114 14.483 -9.873 -3.174 896 HB3 MET 114 HB3 MET 114 14.771 -8.904 -4.623 897 HG2 MET 114 HG2 MET 114 12.385 -8.151 -4.523 898 HG3 MET 114 HG3 MET 114 12.152 -9.211 -3.129 899 HE1 MET 114 HE1 MET 114 14.455 -6.487 -4.416 900 HE2 MET 114 HE2 MET 114 14.368 -5.280 -3.106 901 HE3 MET 114 HE3 MET 114 12.937 -5.589 -4.139 902 H LEU 115 H LEU 115 15.103 -10.416 -7.010 903 HA LEU 115 HA LEU 115 16.730 -12.803 -6.322 904 HB2 LEU 115 HB2 LEU 115 16.636 -11.196 -8.876 905 HB3 LEU 115 HB3 LEU 115 17.586 -12.663 -8.623 906 HG LEU 115 HG LEU 115 14.592 -12.534 -8.479 907 HD11 LEU 115 HD11 LEU 115 14.620 -13.686 -10.639 908 HD12 LEU 115 HD12 LEU 115 15.464 -12.087 -10.759 909 HD13 LEU 115 HD13 LEU 115 16.417 -13.605 -10.681 910 HD21 LEU 115 HD21 LEU 115 14.763 -15.068 -8.655 911 HD22 LEU 115 HD22 LEU 115 15.401 -14.421 -7.127 912 HD23 LEU 115 HD23 LEU 115 16.513 -14.926 -8.404 913 H ALA 116 H ALA 116 18.736 -12.663 -5.635 914 HA ALA 116 HA ALA 116 19.774 -10.133 -4.707 915 HB1 ALA 116 HB1 ALA 116 20.045 -12.463 -3.720 916 HB2 ALA 116 HB2 ALA 116 21.532 -11.439 -3.798 917 HB3 ALA 116 HB3 ALA 116 21.292 -12.783 -4.985 918 H GLU 117 H GLU 117 21.818 -9.257 -5.107 919 HA GLU 117 HA GLU 117 22.335 -8.674 -7.870 920 HB2 GLU 117 HB2 GLU 117 24.145 -7.375 -7.012 921 HB3 GLU 117 HB3 GLU 117 22.776 -7.205 -5.906 922 HG2 GLU 117 HG2 GLU 117 23.825 -8.862 -4.419 923 HG3 GLU 117 HG3 GLU 117 25.192 -8.959 -5.516 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -3.120 10.636 -6.114 2 H2 MET 1 H2 MET 1 -2.559 9.139 -5.707 3 H3 MET 1 H3 MET 1 -2.814 10.264 -4.530 4 HA MET 1 HA MET 1 -4.556 8.692 -4.434 5 HB2 MET 1 HB2 MET 1 -5.100 11.092 -4.004 6 HB3 MET 1 HB3 MET 1 -5.531 11.245 -5.706 7 HG2 MET 1 HG2 MET 1 -7.294 9.495 -5.425 8 HG3 MET 1 HG3 MET 1 -6.898 9.389 -3.728 9 HE1 MET 1 HE1 MET 1 -6.580 12.189 -2.522 10 HE2 MET 1 HE2 MET 1 -7.722 10.989 -1.844 11 HE3 MET 1 HE3 MET 1 -8.220 12.675 -2.176 12 H HIS 2 H HIS 2 -4.129 10.125 -7.721 13 HA HIS 2 HA HIS 2 -6.182 8.498 -8.949 14 HB2 HIS 2 HB2 HIS 2 -3.637 9.824 -10.071 15 HB3 HIS 2 HB3 HIS 2 -4.833 8.980 -11.050 16 HD1 HIS 2 HD1 HIS 2 -5.037 11.441 -12.260 17 HD2 HIS 2 HD2 HIS 2 -6.373 11.159 -8.290 18 HE1 HIS 2 HE1 HIS 2 -6.454 13.505 -11.838 19 HE2 HIS 2 HE2 HIS 2 -7.337 13.336 -9.469 20 H GLU 3 H GLU 3 -5.840 6.426 -10.072 21 HA GLU 3 HA GLU 3 -4.180 4.753 -8.525 22 HB2 GLU 3 HB2 GLU 3 -5.488 4.137 -11.203 23 HB3 GLU 3 HB3 GLU 3 -4.871 2.951 -10.009 24 HG2 GLU 3 HG2 GLU 3 -7.187 4.911 -9.656 25 HG3 GLU 3 HG3 GLU 3 -7.359 3.159 -9.895 26 H TYR 4 H TYR 4 -3.850 6.063 -11.859 27 HA TYR 4 HA TYR 4 -1.631 4.351 -12.434 28 HB2 TYR 4 HB2 TYR 4 -2.648 6.929 -13.700 29 HB3 TYR 4 HB3 TYR 4 -1.285 5.961 -14.342 30 HD1 TYR 4 HD1 TYR 4 -1.698 3.946 -15.512 31 HD2 TYR 4 HD2 TYR 4 -4.989 5.933 -13.621 32 HE1 TYR 4 HE1 TYR 4 -3.281 2.382 -16.650 33 HE2 TYR 4 HE2 TYR 4 -6.582 4.335 -14.775 34 HH TYR 4 HH TYR 4 -5.420 1.688 -16.828 35 H SER 5 H SER 5 -1.968 7.523 -10.874 36 HA SER 5 HA SER 5 0.819 8.213 -11.002 37 HB2 SER 5 HB2 SER 5 -0.929 9.885 -10.555 38 HB3 SER 5 HB3 SER 5 -1.326 9.062 -9.007 39 HG SER 5 HG SER 5 1.280 10.015 -9.642 40 H VAL 6 H VAL 6 -1.215 6.341 -8.674 41 HA VAL 6 HA VAL 6 0.904 6.209 -6.663 42 HB VAL 6 HB VAL 6 -1.600 4.485 -7.021 43 HG11 VAL 6 HG11 VAL 6 0.490 4.699 -4.812 44 HG12 VAL 6 HG12 VAL 6 -1.128 3.957 -4.571 45 HG13 VAL 6 HG13 VAL 6 -0.001 3.239 -5.740 46 HG21 VAL 6 HG21 VAL 6 -2.542 5.868 -5.227 47 HG22 VAL 6 HG22 VAL 6 -0.980 6.720 -5.006 48 HG23 VAL 6 HG23 VAL 6 -1.929 6.946 -6.483 49 H VAL 7 H VAL 7 -0.274 4.102 -9.353 50 HA VAL 7 HA VAL 7 1.581 1.931 -8.710 51 HB VAL 7 HB VAL 7 0.082 2.645 -11.237 52 HG11 VAL 7 HG11 VAL 7 0.544 0.335 -11.896 53 HG12 VAL 7 HG12 VAL 7 2.022 1.239 -11.751 54 HG13 VAL 7 HG13 VAL 7 1.569 0.123 -10.452 55 HG21 VAL 7 HG21 VAL 7 -1.402 0.771 -10.505 56 HG22 VAL 7 HG22 VAL 7 -1.360 2.060 -9.281 57 HG23 VAL 7 HG23 VAL 7 -0.465 0.545 -9.056 58 H SER 8 H SER 8 1.735 4.866 -10.823 59 HA SER 8 HA SER 8 4.209 4.070 -11.958 60 HB2 SER 8 HB2 SER 8 2.927 5.973 -12.860 61 HB3 SER 8 HB3 SER 8 3.243 6.887 -11.341 62 HG SER 8 HG SER 8 4.761 7.483 -12.896 63 H SER 9 H SER 9 3.446 5.845 -8.949 64 HA SER 9 HA SER 9 6.261 6.142 -8.274 65 HB2 SER 9 HB2 SER 9 5.466 6.917 -6.085 66 HB3 SER 9 HB3 SER 9 4.437 7.577 -7.356 67 HG SER 9 HG SER 9 3.171 5.523 -6.870 68 H LEU 10 H LEU 10 4.020 3.478 -7.953 69 HA LEU 10 HA LEU 10 5.382 2.008 -5.835 70 HB2 LEU 10 HB2 LEU 10 3.032 1.539 -6.663 71 HB3 LEU 10 HB3 LEU 10 3.729 1.049 -8.200 72 HG LEU 10 HG LEU 10 4.949 -0.790 -7.220 73 HD11 LEU 10 HD11 LEU 10 4.466 -1.588 -4.996 74 HD12 LEU 10 HD12 LEU 10 5.207 0.014 -4.912 75 HD13 LEU 10 HD13 LEU 10 3.487 -0.170 -4.628 76 HD21 LEU 10 HD21 LEU 10 2.010 -0.943 -6.437 77 HD22 LEU 10 HD22 LEU 10 3.085 -2.253 -6.962 78 HD23 LEU 10 HD23 LEU 10 2.601 -1.011 -8.111 79 H ILE 11 H ILE 11 5.647 2.183 -9.453 80 HA ILE 11 HA ILE 11 7.432 -0.040 -9.648 81 HB ILE 11 HB ILE 11 7.330 2.377 -11.484 82 HG12 ILE 11 HG12 ILE 11 5.133 1.275 -11.390 83 HG13 ILE 11 HG13 ILE 11 5.917 1.021 -12.929 84 HG21 ILE 11 HG21 ILE 11 8.621 -0.331 -11.784 85 HG22 ILE 11 HG22 ILE 11 8.314 0.748 -13.184 86 HG23 ILE 11 HG23 ILE 11 9.402 1.277 -11.832 87 HD11 ILE 11 HD11 ILE 11 4.739 -0.991 -12.184 88 HD12 ILE 11 HD12 ILE 11 5.747 -1.035 -10.686 89 HD13 ILE 11 HD13 ILE 11 6.492 -1.273 -12.318 90 H ALA 12 H ALA 12 7.969 3.477 -9.167 91 HA ALA 12 HA ALA 12 10.845 3.163 -9.212 92 HB1 ALA 12 HB1 ALA 12 10.868 5.427 -8.159 93 HB2 ALA 12 HB2 ALA 12 9.787 5.365 -9.586 94 HB3 ALA 12 HB3 ALA 12 9.098 5.311 -7.945 95 H LEU 13 H LEU 13 8.374 3.076 -6.714 96 HA LEU 13 HA LEU 13 10.104 3.033 -4.469 97 HB2 LEU 13 HB2 LEU 13 7.662 3.454 -4.412 98 HB3 LEU 13 HB3 LEU 13 7.392 1.755 -4.792 99 HG LEU 13 HG LEU 13 8.335 1.103 -2.667 100 HD11 LEU 13 HD11 LEU 13 8.693 2.802 -0.895 101 HD12 LEU 13 HD12 LEU 13 8.532 4.058 -2.126 102 HD13 LEU 13 HD13 LEU 13 9.864 2.924 -2.193 103 HD21 LEU 13 HD21 LEU 13 6.153 3.234 -2.477 104 HD22 LEU 13 HD22 LEU 13 6.398 1.869 -1.335 105 HD23 LEU 13 HD23 LEU 13 5.910 1.526 -3.031 106 H CYS 14 H CYS 14 8.828 0.471 -6.561 107 HA CYS 14 HA CYS 14 9.924 -1.577 -4.870 108 HB2 CYS 14 HB2 CYS 14 9.368 -3.217 -6.417 109 HB3 CYS 14 HB3 CYS 14 8.043 -2.082 -6.402 110 HG CYS 14 HG CYS 14 9.055 -0.758 -8.544 111 H GLU 15 H GLU 15 11.182 0.371 -7.513 112 HA GLU 15 HA GLU 15 13.575 -1.216 -7.850 113 HB2 GLU 15 HB2 GLU 15 12.975 1.672 -8.572 114 HB3 GLU 15 HB3 GLU 15 14.478 0.821 -8.928 115 HG2 GLU 15 HG2 GLU 15 13.191 -0.903 -10.189 116 HG3 GLU 15 HG3 GLU 15 11.704 0.029 -9.943 117 H GLU 16 H GLU 16 12.714 1.597 -5.649 118 HA GLU 16 HA GLU 16 15.543 1.777 -4.941 119 HB2 GLU 16 HB2 GLU 16 14.950 3.105 -3.053 120 HB3 GLU 16 HB3 GLU 16 13.891 3.606 -4.386 121 HG2 GLU 16 HG2 GLU 16 12.065 2.337 -3.385 122 HG3 GLU 16 HG3 GLU 16 13.091 1.887 -2.043 123 H HIS 17 H HIS 17 12.843 -0.275 -3.849 124 HA HIS 17 HA HIS 17 14.274 -1.371 -1.531 125 HB2 HIS 17 HB2 HIS 17 11.976 -2.455 -3.164 126 HB3 HIS 17 HB3 HIS 17 12.684 -3.298 -1.761 127 HD1 HIS 17 HD1 HIS 17 12.522 -2.280 0.602 128 HD2 HIS 17 HD2 HIS 17 10.205 -0.368 -2.289 129 HE1 HIS 17 HE1 HIS 17 10.828 -0.798 1.855 130 HE2 HIS 17 HE2 HIS 17 9.523 0.448 0.074 131 H ALA 18 H ALA 18 14.173 -2.001 -4.974 132 HA ALA 18 HA ALA 18 15.467 -4.534 -4.915 133 HB1 ALA 18 HB1 ALA 18 15.945 -2.393 -7.071 134 HB2 ALA 18 HB2 ALA 18 14.453 -3.393 -7.033 135 HB3 ALA 18 HB3 ALA 18 16.045 -4.187 -7.271 136 H LYS 19 H LYS 19 16.669 -1.207 -4.865 137 HA LYS 19 HA LYS 19 19.446 -1.911 -4.783 138 HB2 LYS 19 HB2 LYS 19 18.013 0.579 -3.764 139 HB3 LYS 19 HB3 LYS 19 19.754 0.467 -4.010 140 HG2 LYS 19 HG2 LYS 19 19.371 0.043 -6.377 141 HG3 LYS 19 HG3 LYS 19 17.633 0.249 -6.157 142 HD2 LYS 19 HD2 LYS 19 17.916 2.448 -5.255 143 HD3 LYS 19 HD3 LYS 19 19.662 2.372 -5.620 144 HE2 LYS 19 HE2 LYS 19 19.129 2.000 -8.045 145 HE3 LYS 19 HE3 LYS 19 17.388 2.103 -7.646 146 HZ1 LYS 19 HZ1 LYS 19 19.357 4.306 -7.194 147 HZ2 LYS 19 HZ2 LYS 19 17.726 4.390 -6.926 148 HZ3 LYS 19 HZ3 LYS 19 18.301 4.228 -8.472 149 H LYS 20 H LYS 20 17.005 -1.397 -2.266 150 HA LYS 20 HA LYS 20 18.813 -1.362 -0.030 151 HB2 LYS 20 HB2 LYS 20 15.891 -2.207 -0.181 152 HB3 LYS 20 HB3 LYS 20 16.797 -2.010 1.323 153 HG2 LYS 20 HG2 LYS 20 17.110 0.390 0.789 154 HG3 LYS 20 HG3 LYS 20 16.243 0.160 -0.717 155 HD2 LYS 20 HD2 LYS 20 14.224 -0.549 0.592 156 HD3 LYS 20 HD3 LYS 20 15.150 -0.224 2.070 157 HE2 LYS 20 HE2 LYS 20 15.503 2.075 1.303 158 HE3 LYS 20 HE3 LYS 20 14.589 1.728 -0.168 159 HZ1 LYS 20 HZ1 LYS 20 13.318 1.353 2.447 160 HZ2 LYS 20 HZ2 LYS 20 12.625 1.645 0.987 161 HZ3 LYS 20 HZ3 LYS 20 13.398 2.851 1.753 162 H ASN 21 H ASN 21 17.423 -3.941 -1.973 163 HA ASN 21 HA ASN 21 18.551 -5.918 -0.019 164 HB2 ASN 21 HB2 ASN 21 16.150 -6.071 -0.843 165 HB3 ASN 21 HB3 ASN 21 16.800 -6.600 -2.398 166 HD21 ASN 21 HD21 ASN 21 16.578 -8.764 -2.524 167 HD22 ASN 21 HD22 ASN 21 16.887 -9.871 -1.231 168 H GLN 22 H GLN 22 19.705 -4.277 -2.495 169 HA GLN 22 HA GLN 22 21.338 -4.606 -4.094 170 HB2 GLN 22 HB2 GLN 22 22.068 -6.921 -2.294 171 HB3 GLN 22 HB3 GLN 22 23.095 -6.241 -3.598 172 HG2 GLN 22 HG2 GLN 22 22.943 -4.046 -2.402 173 HG3 GLN 22 HG3 GLN 22 22.156 -4.828 -1.045 174 HE21 GLN 22 HE21 GLN 22 23.485 -5.274 0.534 175 HE22 GLN 22 HE22 GLN 22 25.181 -5.680 0.393 176 H ALA 23 H ALA 23 18.848 -5.447 -4.823 177 HA ALA 23 HA ALA 23 19.340 -8.016 -6.255 178 HB1 ALA 23 HB1 ALA 23 16.757 -8.221 -6.124 179 HB2 ALA 23 HB2 ALA 23 16.807 -6.860 -4.940 180 HB3 ALA 23 HB3 ALA 23 17.620 -8.414 -4.584 181 H HIS 24 H HIS 24 18.548 -8.185 -8.373 182 HA HIS 24 HA HIS 24 18.127 -5.522 -9.693 183 HB2 HIS 24 HB2 HIS 24 19.004 -6.454 -11.705 184 HB3 HIS 24 HB3 HIS 24 20.082 -6.954 -10.432 185 HD1 HIS 24 HD1 HIS 24 18.517 -8.241 -13.370 186 HD2 HIS 24 HD2 HIS 24 19.163 -9.729 -9.518 187 HE1 HIS 24 HE1 HIS 24 18.198 -10.767 -13.533 188 HE2 HIS 24 HE2 HIS 24 18.679 -11.668 -11.217 189 H LYS 25 H LYS 25 16.375 -8.333 -8.941 190 HA LYS 25 HA LYS 25 14.245 -7.527 -10.842 191 HB2 LYS 25 HB2 LYS 25 15.747 -9.125 -11.972 192 HB3 LYS 25 HB3 LYS 25 15.427 -10.358 -10.745 193 HG2 LYS 25 HG2 LYS 25 13.375 -9.126 -12.675 194 HG3 LYS 25 HG3 LYS 25 14.330 -10.578 -12.966 195 HD2 LYS 25 HD2 LYS 25 13.329 -11.702 -11.006 196 HD3 LYS 25 HD3 LYS 25 12.309 -10.305 -10.719 197 HE2 LYS 25 HE2 LYS 25 11.061 -11.938 -11.942 198 HE3 LYS 25 HE3 LYS 25 11.383 -10.536 -13.009 199 HZ1 LYS 25 HZ1 LYS 25 12.986 -13.025 -13.044 200 HZ2 LYS 25 HZ2 LYS 25 13.168 -11.721 -14.070 201 HZ3 LYS 25 HZ3 LYS 25 11.804 -12.668 -14.119 202 H ILE 26 H ILE 26 12.270 -7.742 -9.961 203 HA ILE 26 HA ILE 26 12.082 -9.124 -7.301 204 HB ILE 26 HB ILE 26 10.372 -6.932 -8.557 205 HG12 ILE 26 HG12 ILE 26 12.332 -6.861 -6.238 206 HG13 ILE 26 HG13 ILE 26 12.760 -6.368 -7.868 207 HG21 ILE 26 HG21 ILE 26 10.349 -8.165 -5.775 208 HG22 ILE 26 HG22 ILE 26 9.368 -6.773 -6.303 209 HG23 ILE 26 HG23 ILE 26 9.092 -8.352 -6.988 210 HD11 ILE 26 HD11 ILE 26 12.341 -4.437 -6.552 211 HD12 ILE 26 HD12 ILE 26 10.729 -5.057 -6.089 212 HD13 ILE 26 HD13 ILE 26 11.066 -4.624 -7.813 213 H GLU 27 H GLU 27 10.977 -11.055 -7.266 214 HA GLU 27 HA GLU 27 9.467 -11.875 -9.660 215 HB2 GLU 27 HB2 GLU 27 9.987 -13.210 -6.991 216 HB3 GLU 27 HB3 GLU 27 9.020 -13.941 -8.272 217 HG2 GLU 27 HG2 GLU 27 11.862 -13.047 -8.534 218 HG3 GLU 27 HG3 GLU 27 11.396 -14.698 -8.204 219 H ARG 28 H ARG 28 8.674 -10.807 -6.418 220 HA ARG 28 HA ARG 28 5.835 -10.677 -7.261 221 HB2 ARG 28 HB2 ARG 28 6.193 -12.880 -5.998 222 HB3 ARG 28 HB3 ARG 28 6.742 -11.934 -4.602 223 HG2 ARG 28 HG2 ARG 28 4.459 -10.845 -4.495 224 HG3 ARG 28 HG3 ARG 28 3.933 -11.865 -5.848 225 HD2 ARG 28 HD2 ARG 28 4.898 -12.817 -3.134 226 HD3 ARG 28 HD3 ARG 28 3.216 -12.787 -3.644 227 HE ARG 28 HE ARG 28 5.261 -14.741 -4.320 228 HH11 ARG 28 HH11 ARG 28 2.144 -13.368 -5.372 229 HH12 ARG 28 HH12 ARG 28 1.715 -14.879 -6.214 230 HH21 ARG 28 HH21 ARG 28 4.606 -16.540 -5.377 231 HH22 ARG 28 HH22 ARG 28 3.047 -16.630 -6.198 232 H VAL 29 H VAL 29 4.735 -8.990 -6.420 233 HA VAL 29 HA VAL 29 6.045 -7.442 -4.246 234 HB VAL 29 HB VAL 29 4.528 -6.408 -6.704 235 HG11 VAL 29 HG11 VAL 29 5.151 -4.153 -5.704 236 HG12 VAL 29 HG12 VAL 29 3.994 -5.049 -4.718 237 HG13 VAL 29 HG13 VAL 29 5.707 -4.989 -4.261 238 HG21 VAL 29 HG21 VAL 29 7.423 -6.051 -5.846 239 HG22 VAL 29 HG22 VAL 29 6.625 -5.211 -7.219 240 HG23 VAL 29 HG23 VAL 29 6.818 -6.986 -7.265 241 H VAL 30 H VAL 30 4.592 -7.479 -2.470 242 HA VAL 30 HA VAL 30 1.733 -7.743 -3.326 243 HB VAL 30 HB VAL 30 1.134 -8.848 -1.260 244 HG11 VAL 30 HG11 VAL 30 2.008 -10.147 -3.250 245 HG12 VAL 30 HG12 VAL 30 3.468 -10.372 -2.353 246 HG13 VAL 30 HG13 VAL 30 1.951 -10.976 -1.712 247 HG21 VAL 30 HG21 VAL 30 2.744 -9.695 0.355 248 HG22 VAL 30 HG22 VAL 30 2.849 -7.936 0.252 249 HG23 VAL 30 HG23 VAL 30 4.077 -8.989 -0.609 250 H VAL 31 H VAL 31 0.324 -6.296 -2.534 251 HA VAL 31 HA VAL 31 1.577 -4.160 -0.856 252 HB VAL 31 HB VAL 31 0.110 -2.524 -2.066 253 HG11 VAL 31 HG11 VAL 31 1.917 -4.152 -3.848 254 HG12 VAL 31 HG12 VAL 31 2.357 -2.740 -2.842 255 HG13 VAL 31 HG13 VAL 31 1.297 -2.505 -4.210 256 HG21 VAL 31 HG21 VAL 31 -1.080 -3.088 -4.138 257 HG22 VAL 31 HG22 VAL 31 -1.701 -4.099 -2.816 258 HG23 VAL 31 HG23 VAL 31 -0.569 -4.800 -3.973 259 H GLY 32 H GLY 32 0.173 -3.020 0.502 260 HA2 GLY 32 HA2 GLY 32 -2.273 -4.559 1.189 261 HA3 GLY 32 HA3 GLY 32 -1.310 -3.596 2.333 262 H ILE 33 H ILE 33 -4.048 -3.504 0.495 263 HA ILE 33 HA ILE 33 -3.753 -0.547 0.161 264 HB ILE 33 HB ILE 33 -5.559 -2.391 -1.481 265 HG12 ILE 33 HG12 ILE 33 -3.240 -0.568 -2.324 266 HG13 ILE 33 HG13 ILE 33 -3.068 -2.334 -2.115 267 HG21 ILE 33 HG21 ILE 33 -6.690 -0.246 -0.953 268 HG22 ILE 33 HG22 ILE 33 -6.209 -0.266 -2.623 269 HG23 ILE 33 HG23 ILE 33 -5.267 0.679 -1.462 270 HD11 ILE 33 HD11 ILE 33 -5.066 -2.395 -3.871 271 HD12 ILE 33 HD12 ILE 33 -3.382 -2.102 -4.423 272 HD13 ILE 33 HD13 ILE 33 -4.532 -0.729 -4.241 273 H GLY 34 H GLY 34 -4.942 0.477 1.609 274 HA2 GLY 34 HA2 GLY 34 -6.332 -1.033 3.588 275 HA3 GLY 34 HA3 GLY 34 -6.296 0.736 3.435 276 H GLU 35 H GLU 35 -8.351 -1.065 4.237 277 HA GLU 35 HA GLU 35 -10.347 -1.358 2.207 278 HB2 GLU 35 HB2 GLU 35 -11.759 -2.016 4.073 279 HB3 GLU 35 HB3 GLU 35 -10.141 -2.669 4.289 280 HG2 GLU 35 HG2 GLU 35 -9.600 -0.818 5.859 281 HG3 GLU 35 HG3 GLU 35 -11.231 -0.243 5.687 282 H ARG 36 H ARG 36 -9.434 1.453 4.027 283 HA ARG 36 HA ARG 36 -11.886 2.861 3.044 284 HB2 ARG 36 HB2 ARG 36 -10.116 3.504 5.387 285 HB3 ARG 36 HB3 ARG 36 -11.408 4.536 4.795 286 HG2 ARG 36 HG2 ARG 36 -13.078 2.785 5.160 287 HG3 ARG 36 HG3 ARG 36 -11.787 1.726 5.794 288 HD2 ARG 36 HD2 ARG 36 -11.380 3.329 7.600 289 HD3 ARG 36 HD3 ARG 36 -12.645 4.392 6.988 290 HE ARG 36 HE ARG 36 -13.006 1.808 8.383 291 HH11 ARG 36 HH11 ARG 36 -15.058 1.137 8.840 292 HH12 ARG 36 HH12 ARG 36 -16.450 2.050 8.273 293 HH21 ARG 36 HH21 ARG 36 -14.614 4.370 6.510 294 HH22 ARG 36 HH22 ARG 36 -16.177 3.795 7.018 295 H SER 37 H SER 37 -9.303 2.202 1.633 296 HA SER 37 HA SER 37 -8.109 4.840 1.355 297 HB2 SER 37 HB2 SER 37 -6.694 3.818 -0.326 298 HB3 SER 37 HB3 SER 37 -6.793 2.718 1.071 299 HG SER 37 HG SER 37 -8.207 1.441 -0.057 300 H ALA 38 H ALA 38 -8.104 6.079 -0.635 301 HA ALA 38 HA ALA 38 -10.732 6.260 -1.896 302 HB1 ALA 38 HB1 ALA 38 -9.728 8.162 -3.055 303 HB2 ALA 38 HB2 ALA 38 -8.099 7.652 -2.584 304 HB3 ALA 38 HB3 ALA 38 -9.243 8.210 -1.334 305 H MET 39 H MET 39 -8.153 4.205 -2.399 306 HA MET 39 HA MET 39 -7.931 4.346 -5.225 307 HB2 MET 39 HB2 MET 39 -7.043 2.280 -3.268 308 HB3 MET 39 HB3 MET 39 -6.512 2.403 -4.943 309 HG2 MET 39 HG2 MET 39 -5.542 4.639 -4.473 310 HG3 MET 39 HG3 MET 39 -5.995 4.476 -2.762 311 HE1 MET 39 HE1 MET 39 -2.700 2.077 -4.773 312 HE2 MET 39 HE2 MET 39 -3.597 3.420 -5.550 313 HE3 MET 39 HE3 MET 39 -4.375 1.833 -5.268 314 H ASP 40 H ASP 40 -8.367 2.946 -6.790 315 HA ASP 40 HA ASP 40 -10.637 1.068 -6.358 316 HB2 ASP 40 HB2 ASP 40 -9.531 2.384 -8.832 317 HB3 ASP 40 HB3 ASP 40 -10.831 1.196 -8.858 318 H LYS 41 H LYS 41 -10.007 -0.993 -6.107 319 HA LYS 41 HA LYS 41 -7.343 -1.915 -6.661 320 HB2 LYS 41 HB2 LYS 41 -9.905 -3.384 -6.113 321 HB3 LYS 41 HB3 LYS 41 -8.358 -4.152 -6.159 322 HG2 LYS 41 HG2 LYS 41 -7.632 -2.827 -4.187 323 HG3 LYS 41 HG3 LYS 41 -9.120 -1.920 -4.214 324 HD2 LYS 41 HD2 LYS 41 -9.310 -3.549 -2.495 325 HD3 LYS 41 HD3 LYS 41 -10.353 -4.049 -3.812 326 HE2 LYS 41 HE2 LYS 41 -8.621 -5.633 -4.571 327 HE3 LYS 41 HE3 LYS 41 -7.610 -5.121 -3.216 328 HZ1 LYS 41 HZ1 LYS 41 -8.869 -7.123 -2.768 329 HZ2 LYS 41 HZ2 LYS 41 -10.271 -6.302 -3.003 330 HZ3 LYS 41 HZ3 LYS 41 -9.303 -5.916 -1.721 331 H SER 42 H SER 42 -10.307 -1.970 -8.631 332 HA SER 42 HA SER 42 -9.274 -4.074 -10.379 333 HB2 SER 42 HB2 SER 42 -11.723 -3.573 -10.165 334 HB3 SER 42 HB3 SER 42 -11.469 -1.993 -10.943 335 HG SER 42 HG SER 42 -12.150 -3.836 -12.270 336 H LEU 43 H LEU 43 -9.228 -0.523 -10.459 337 HA LEU 43 HA LEU 43 -7.956 -0.465 -13.063 338 HB2 LEU 43 HB2 LEU 43 -8.265 1.620 -10.946 339 HB3 LEU 43 HB3 LEU 43 -7.708 1.952 -12.550 340 HG LEU 43 HG LEU 43 -10.447 0.891 -11.814 341 HD11 LEU 43 HD11 LEU 43 -9.487 3.649 -12.613 342 HD12 LEU 43 HD12 LEU 43 -10.140 3.165 -11.049 343 HD13 LEU 43 HD13 LEU 43 -11.178 3.153 -12.440 344 HD21 LEU 43 HD21 LEU 43 -9.191 1.739 -14.465 345 HD22 LEU 43 HD22 LEU 43 -10.950 1.556 -14.211 346 HD23 LEU 43 HD23 LEU 43 -9.881 0.151 -14.048 347 H PHE 44 H PHE 44 -7.006 -0.694 -9.729 348 HA PHE 44 HA PHE 44 -4.350 0.331 -10.022 349 HB2 PHE 44 HB2 PHE 44 -5.492 0.014 -7.828 350 HB3 PHE 44 HB3 PHE 44 -5.420 -1.738 -8.035 351 HD1 PHE 44 HD1 PHE 44 -3.428 -3.006 -7.679 352 HD2 PHE 44 HD2 PHE 44 -3.347 1.299 -7.480 353 HE1 PHE 44 HE1 PHE 44 -1.267 -3.095 -6.491 354 HE2 PHE 44 HE2 PHE 44 -1.136 1.193 -6.300 355 HZ PHE 44 HZ PHE 44 -0.094 -1.012 -5.831 356 H VAL 45 H VAL 45 -5.730 -2.980 -10.224 357 HA VAL 45 HA VAL 45 -3.098 -4.066 -10.669 358 HB VAL 45 HB VAL 45 -4.215 -6.190 -11.193 359 HG11 VAL 45 HG11 VAL 45 -5.244 -6.556 -8.993 360 HG12 VAL 45 HG12 VAL 45 -3.906 -5.373 -8.835 361 HG13 VAL 45 HG13 VAL 45 -5.576 -4.815 -8.863 362 HG21 VAL 45 HG21 VAL 45 -6.771 -4.608 -11.056 363 HG22 VAL 45 HG22 VAL 45 -6.713 -6.368 -11.049 364 HG23 VAL 45 HG23 VAL 45 -6.141 -5.475 -12.474 365 H SER 46 H SER 46 -5.494 -2.572 -12.690 366 HA SER 46 HA SER 46 -4.623 -3.709 -15.234 367 HB2 SER 46 HB2 SER 46 -6.869 -2.648 -14.950 368 HB3 SER 46 HB3 SER 46 -6.083 -1.102 -14.626 369 HG SER 46 HG SER 46 -6.219 -2.571 -17.029 370 H ALA 47 H ALA 47 -4.007 -0.804 -13.320 371 HA ALA 47 HA ALA 47 -2.199 0.468 -15.206 372 HB1 ALA 47 HB1 ALA 47 -3.349 1.757 -13.471 373 HB2 ALA 47 HB2 ALA 47 -1.640 1.824 -13.151 374 HB3 ALA 47 HB3 ALA 47 -2.669 0.773 -12.179 375 H PHE 48 H PHE 48 -1.797 -1.927 -12.525 376 HA PHE 48 HA PHE 48 1.053 -1.586 -12.470 377 HB2 PHE 48 HB2 PHE 48 -0.212 -2.774 -10.627 378 HB3 PHE 48 HB3 PHE 48 -0.462 -4.125 -11.760 379 HD1 PHE 48 HD1 PHE 48 2.081 -2.294 -9.782 380 HD2 PHE 48 HD2 PHE 48 1.387 -5.658 -12.364 381 HE1 PHE 48 HE1 PHE 48 4.258 -3.220 -9.098 382 HE2 PHE 48 HE2 PHE 48 3.604 -6.595 -11.683 383 HZ PHE 48 HZ PHE 48 5.041 -5.354 -10.061 384 H GLU 49 H GLU 49 -1.084 -3.667 -14.425 385 HA GLU 49 HA GLU 49 1.093 -5.120 -15.633 386 HB2 GLU 49 HB2 GLU 49 -1.766 -4.575 -16.570 387 HB3 GLU 49 HB3 GLU 49 -0.608 -5.589 -17.396 388 HG2 GLU 49 HG2 GLU 49 -0.489 -7.041 -15.368 389 HG3 GLU 49 HG3 GLU 49 -1.696 -6.061 -14.611 390 H THR 50 H THR 50 -0.603 -2.057 -16.232 391 HA THR 50 HA THR 50 0.529 -1.599 -18.832 392 HB THR 50 HB THR 50 -0.356 0.495 -16.785 393 HG1 THR 50 HG1 THR 50 -1.995 -1.132 -17.224 394 HG21 THR 50 HG21 THR 50 -0.016 0.509 -19.779 395 HG22 THR 50 HG22 THR 50 0.772 1.539 -18.550 396 HG23 THR 50 HG23 THR 50 -0.988 1.710 -18.873 397 H PHE 51 H PHE 51 1.619 -0.483 -15.577 398 HA PHE 51 HA PHE 51 3.985 0.858 -16.785 399 HB2 PHE 51 HB2 PHE 51 3.151 0.446 -13.858 400 HB3 PHE 51 HB3 PHE 51 4.549 1.313 -14.431 401 HD1 PHE 51 HD1 PHE 51 0.951 1.651 -13.853 402 HD2 PHE 51 HD2 PHE 51 4.436 3.319 -15.832 403 HE1 PHE 51 HE1 PHE 51 -0.206 3.829 -14.073 404 HE2 PHE 51 HE2 PHE 51 3.247 5.556 -16.036 405 HZ PHE 51 HZ PHE 51 0.932 5.755 -15.146 406 H ARG 52 H ARG 52 3.480 -2.425 -15.372 407 HA ARG 52 HA ARG 52 6.140 -2.640 -14.257 408 HB2 ARG 52 HB2 ARG 52 5.777 -4.983 -14.094 409 HB3 ARG 52 HB3 ARG 52 4.274 -4.169 -13.697 410 HG2 ARG 52 HG2 ARG 52 3.341 -4.801 -15.897 411 HG3 ARG 52 HG3 ARG 52 4.818 -5.644 -16.344 412 HD2 ARG 52 HD2 ARG 52 4.573 -7.082 -14.307 413 HD3 ARG 52 HD3 ARG 52 2.985 -6.300 -14.040 414 HE ARG 52 HE ARG 52 2.974 -7.268 -16.673 415 HH11 ARG 52 HH11 ARG 52 3.195 -8.713 -13.465 416 HH12 ARG 52 HH12 ARG 52 2.189 -10.071 -13.962 417 HH21 ARG 52 HH21 ARG 52 1.873 -9.067 -17.201 418 HH22 ARG 52 HH22 ARG 52 1.529 -10.307 -16.007 419 H GLU 53 H GLU 53 4.990 -2.987 -17.546 420 HA GLU 53 HA GLU 53 7.189 -4.507 -18.578 421 HB2 GLU 53 HB2 GLU 53 6.365 -3.870 -20.697 422 HB3 GLU 53 HB3 GLU 53 5.021 -4.218 -19.640 423 HG2 GLU 53 HG2 GLU 53 4.626 -1.835 -19.410 424 HG3 GLU 53 HG3 GLU 53 6.045 -1.548 -20.468 425 H GLU 54 H GLU 54 6.869 -1.128 -17.712 426 HA GLU 54 HA GLU 54 8.791 -0.094 -19.559 427 HB2 GLU 54 HB2 GLU 54 7.842 0.836 -16.831 428 HB3 GLU 54 HB3 GLU 54 8.916 1.805 -17.902 429 HG2 GLU 54 HG2 GLU 54 6.244 0.820 -18.864 430 HG3 GLU 54 HG3 GLU 54 6.379 2.236 -17.846 431 H SER 55 H SER 55 9.220 -1.972 -16.647 432 HA SER 55 HA SER 55 12.151 -1.402 -16.891 433 HB2 SER 55 HB2 SER 55 11.319 -0.017 -15.065 434 HB3 SER 55 HB3 SER 55 10.630 -1.430 -14.228 435 HG SER 55 HG SER 55 12.814 -0.760 -13.508 436 H LEU 56 H LEU 56 13.450 -3.101 -16.598 437 HA LEU 56 HA LEU 56 12.453 -5.755 -16.867 438 HB2 LEU 56 HB2 LEU 56 14.614 -4.909 -17.622 439 HB3 LEU 56 HB3 LEU 56 15.170 -4.846 -15.956 440 HG LEU 56 HG LEU 56 16.127 -6.662 -17.216 441 HD11 LEU 56 HD11 LEU 56 15.993 -8.413 -15.653 442 HD12 LEU 56 HD12 LEU 56 14.282 -8.001 -15.226 443 HD13 LEU 56 HD13 LEU 56 15.605 -6.914 -14.715 444 HD21 LEU 56 HD21 LEU 56 14.791 -8.570 -17.975 445 HD22 LEU 56 HD22 LEU 56 14.347 -7.044 -18.744 446 HD23 LEU 56 HD23 LEU 56 13.328 -7.695 -17.507 447 H VAL 57 H VAL 57 13.506 -3.902 -14.085 448 HA VAL 57 HA VAL 57 13.829 -5.901 -12.206 449 HB VAL 57 HB VAL 57 12.684 -3.081 -11.785 450 HG11 VAL 57 HG11 VAL 57 14.073 -4.920 -9.738 451 HG12 VAL 57 HG12 VAL 57 12.361 -4.390 -9.690 452 HG13 VAL 57 HG13 VAL 57 13.662 -3.222 -9.451 453 HG21 VAL 57 HG21 VAL 57 15.525 -4.117 -11.821 454 HG22 VAL 57 HG22 VAL 57 15.037 -2.504 -11.273 455 HG23 VAL 57 HG23 VAL 57 14.779 -2.934 -12.937 456 H CYS 58 H CYS 58 10.821 -4.351 -13.220 457 HA CYS 58 HA CYS 58 9.271 -6.117 -11.342 458 HB2 CYS 58 HB2 CYS 58 7.598 -4.338 -11.493 459 HB3 CYS 58 HB3 CYS 58 9.181 -3.651 -10.961 460 HG CYS 58 HG CYS 58 8.072 -3.715 -14.105 461 H LYS 59 H LYS 59 10.084 -6.027 -14.619 462 HA LYS 59 HA LYS 59 7.596 -6.135 -15.940 463 HB2 LYS 59 HB2 LYS 59 9.838 -6.003 -16.952 464 HB3 LYS 59 HB3 LYS 59 10.137 -7.719 -16.560 465 HG2 LYS 59 HG2 LYS 59 8.237 -8.352 -18.003 466 HG3 LYS 59 HG3 LYS 59 8.056 -6.668 -18.502 467 HD2 LYS 59 HD2 LYS 59 10.592 -8.285 -18.813 468 HD3 LYS 59 HD3 LYS 59 9.405 -8.059 -20.100 469 HE2 LYS 59 HE2 LYS 59 9.794 -5.568 -19.934 470 HE3 LYS 59 HE3 LYS 59 11.082 -5.884 -18.726 471 HZ1 LYS 59 HZ1 LYS 59 12.100 -5.698 -20.871 472 HZ2 LYS 59 HZ2 LYS 59 11.057 -6.755 -21.575 473 HZ3 LYS 59 HZ3 LYS 59 12.166 -7.294 -20.472 474 H ASP 60 H ASP 60 9.260 -8.913 -14.395 475 HA ASP 60 HA ASP 60 6.891 -10.589 -15.142 476 HB2 ASP 60 HB2 ASP 60 9.661 -11.290 -14.207 477 HB3 ASP 60 HB3 ASP 60 8.364 -12.486 -14.420 478 H ALA 61 H ALA 61 7.473 -8.503 -12.773 479 HA ALA 61 HA ALA 61 7.280 -10.084 -10.354 480 HB1 ALA 61 HB1 ALA 61 8.090 -7.730 -10.353 481 HB2 ALA 61 HB2 ALA 61 6.694 -7.963 -9.267 482 HB3 ALA 61 HB3 ALA 61 6.452 -7.198 -10.845 483 H ILE 62 H ILE 62 5.447 -10.619 -9.151 484 HA ILE 62 HA ILE 62 2.881 -10.606 -10.581 485 HB ILE 62 HB ILE 62 3.793 -12.023 -8.024 486 HG12 ILE 62 HG12 ILE 62 3.294 -13.271 -10.754 487 HG13 ILE 62 HG13 ILE 62 4.895 -12.844 -10.120 488 HG21 ILE 62 HG21 ILE 62 1.370 -11.587 -8.066 489 HG22 ILE 62 HG22 ILE 62 1.227 -12.351 -9.647 490 HG23 ILE 62 HG23 ILE 62 1.675 -13.309 -8.223 491 HD11 ILE 62 HD11 ILE 62 4.525 -14.449 -8.214 492 HD12 ILE 62 HD12 ILE 62 4.540 -15.219 -9.823 493 HD13 ILE 62 HD13 ILE 62 2.977 -14.921 -8.988 494 H LEU 63 H LEU 63 1.335 -9.130 -9.893 495 HA LEU 63 HA LEU 63 1.849 -7.652 -7.335 496 HB2 LEU 63 HB2 LEU 63 1.482 -6.469 -9.450 497 HB3 LEU 63 HB3 LEU 63 -0.105 -7.230 -9.617 498 HG LEU 63 HG LEU 63 -0.187 -4.877 -8.966 499 HD11 LEU 63 HD11 LEU 63 -1.895 -4.925 -7.518 500 HD12 LEU 63 HD12 LEU 63 -1.912 -6.557 -8.164 501 HD13 LEU 63 HD13 LEU 63 -1.227 -6.278 -6.549 502 HD21 LEU 63 HD21 LEU 63 1.117 -5.706 -6.341 503 HD22 LEU 63 HD22 LEU 63 1.948 -4.840 -7.680 504 HD23 LEU 63 HD23 LEU 63 0.583 -4.053 -6.862 505 H ASP 64 H ASP 64 0.598 -8.030 -5.571 506 HA ASP 64 HA ASP 64 -1.988 -9.474 -5.882 507 HB2 ASP 64 HB2 ASP 64 -0.099 -11.086 -5.451 508 HB3 ASP 64 HB3 ASP 64 0.098 -10.304 -3.873 509 H ILE 65 H ILE 65 -3.512 -8.367 -4.752 510 HA ILE 65 HA ILE 65 -2.614 -6.322 -2.797 511 HB ILE 65 HB ILE 65 -5.361 -6.845 -3.932 512 HG12 ILE 65 HG12 ILE 65 -3.384 -4.681 -4.754 513 HG13 ILE 65 HG13 ILE 65 -3.713 -6.135 -5.645 514 HG21 ILE 65 HG21 ILE 65 -5.673 -4.366 -3.041 515 HG22 ILE 65 HG22 ILE 65 -5.562 -5.598 -1.802 516 HG23 ILE 65 HG23 ILE 65 -4.193 -4.572 -2.194 517 HD11 ILE 65 HD11 ILE 65 -4.943 -4.251 -6.591 518 HD12 ILE 65 HD12 ILE 65 -6.002 -5.550 -6.018 519 HD13 ILE 65 HD13 ILE 65 -5.834 -4.067 -5.052 520 H VAL 66 H VAL 66 -2.843 -6.397 -0.728 521 HA VAL 66 HA VAL 66 -4.475 -8.600 0.438 522 HB VAL 66 HB VAL 66 -2.151 -7.085 1.610 523 HG11 VAL 66 HG11 VAL 66 -3.651 -7.552 3.346 524 HG12 VAL 66 HG12 VAL 66 -2.308 -8.696 3.454 525 HG13 VAL 66 HG13 VAL 66 -3.883 -9.226 2.809 526 HG21 VAL 66 HG21 VAL 66 -1.301 -8.675 0.040 527 HG22 VAL 66 HG22 VAL 66 -2.390 -9.953 0.647 528 HG23 VAL 66 HG23 VAL 66 -1.039 -9.331 1.661 529 H ASP 67 H ASP 67 -6.226 -7.972 1.594 530 HA ASP 67 HA ASP 67 -6.967 -5.164 1.698 531 HB2 ASP 67 HB2 ASP 67 -8.207 -7.707 2.756 532 HB3 ASP 67 HB3 ASP 67 -8.952 -6.110 2.928 533 H GLU 68 H GLU 68 -6.577 -3.778 3.334 534 HA GLU 68 HA GLU 68 -5.888 -4.933 6.003 535 HB2 GLU 68 HB2 GLU 68 -4.633 -2.537 4.626 536 HB3 GLU 68 HB3 GLU 68 -4.323 -3.029 6.274 537 HG2 GLU 68 HG2 GLU 68 -3.460 -5.210 5.500 538 HG3 GLU 68 HG3 GLU 68 -3.621 -4.617 3.841 539 H LYS 69 H LYS 69 -6.368 -3.951 7.858 540 HA LYS 69 HA LYS 69 -8.561 -1.977 7.976 541 HB2 LYS 69 HB2 LYS 69 -6.947 -3.583 10.028 542 HB3 LYS 69 HB3 LYS 69 -7.789 -2.111 10.466 543 HG2 LYS 69 HG2 LYS 69 -9.154 -4.049 10.960 544 HG3 LYS 69 HG3 LYS 69 -9.904 -3.068 9.683 545 HD2 LYS 69 HD2 LYS 69 -9.088 -4.696 7.952 546 HD3 LYS 69 HD3 LYS 69 -8.391 -5.659 9.282 547 HE2 LYS 69 HE2 LYS 69 -10.567 -6.585 8.670 548 HE3 LYS 69 HE3 LYS 69 -10.611 -5.911 10.331 549 HZ1 LYS 69 HZ1 LYS 69 -11.664 -3.965 9.419 550 HZ2 LYS 69 HZ2 LYS 69 -12.521 -5.263 9.015 551 HZ3 LYS 69 HZ3 LYS 69 -11.594 -4.538 7.894 552 H VAL 70 H VAL 70 -8.472 -0.052 8.707 553 HA VAL 70 HA VAL 70 -6.129 1.543 8.326 554 HB VAL 70 HB VAL 70 -7.590 3.415 9.132 555 HG11 VAL 70 HG11 VAL 70 -7.755 2.561 6.787 556 HG12 VAL 70 HG12 VAL 70 -9.173 3.432 7.373 557 HG13 VAL 70 HG13 VAL 70 -9.193 1.604 7.293 558 HG21 VAL 70 HG21 VAL 70 -8.845 2.333 10.940 559 HG22 VAL 70 HG22 VAL 70 -9.675 1.289 9.787 560 HG23 VAL 70 HG23 VAL 70 -9.961 3.033 9.753 561 H GLU 71 H GLU 71 -5.216 2.995 9.815 562 HA GLU 71 HA GLU 71 -5.467 2.187 12.694 563 HB2 GLU 71 HB2 GLU 71 -3.247 1.605 11.792 564 HB3 GLU 71 HB3 GLU 71 -2.945 3.281 11.351 565 HG2 GLU 71 HG2 GLU 71 -3.029 3.905 13.701 566 HG3 GLU 71 HG3 GLU 71 -3.378 2.215 14.159 567 H LEU 72 H LEU 72 -5.711 3.980 14.105 568 HA LEU 72 HA LEU 72 -6.271 6.535 12.658 569 HB2 LEU 72 HB2 LEU 72 -7.739 5.307 15.032 570 HB3 LEU 72 HB3 LEU 72 -8.111 6.875 14.331 571 HG LEU 72 HG LEU 72 -8.435 4.194 12.891 572 HD11 LEU 72 HD11 LEU 72 -10.548 6.026 14.118 573 HD12 LEU 72 HD12 LEU 72 -10.802 4.534 13.227 574 HD13 LEU 72 HD13 LEU 72 -10.026 4.452 14.819 575 HD21 LEU 72 HD21 LEU 72 -9.233 7.019 12.138 576 HD22 LEU 72 HD22 LEU 72 -7.987 6.021 11.342 577 HD23 LEU 72 HD23 LEU 72 -9.706 5.558 11.270 578 H GLU 73 H GLU 73 -5.836 8.442 13.624 579 HA GLU 73 HA GLU 73 -4.528 8.382 16.349 580 HB2 GLU 73 HB2 GLU 73 -2.892 8.679 14.476 581 HB3 GLU 73 HB3 GLU 73 -3.745 10.181 14.030 582 HG2 GLU 73 HG2 GLU 73 -3.271 11.127 16.281 583 HG3 GLU 73 HG3 GLU 73 -2.311 9.665 16.646 584 H CYS 74 H CYS 74 -5.141 9.992 17.697 585 HA CYS 74 HA CYS 74 -7.449 11.718 16.869 586 HB2 CYS 74 HB2 CYS 74 -7.741 10.009 18.718 587 HB3 CYS 74 HB3 CYS 74 -6.437 10.807 19.582 588 H LYS 75 H LYS 75 -7.316 13.902 17.329 589 HA LYS 75 HA LYS 75 -4.677 15.142 17.366 590 HB2 LYS 75 HB2 LYS 75 -7.420 16.289 18.055 591 HB3 LYS 75 HB3 LYS 75 -5.951 17.244 17.914 592 HG2 LYS 75 HG2 LYS 75 -5.718 16.470 15.521 593 HG3 LYS 75 HG3 LYS 75 -7.174 15.488 15.730 594 HD2 LYS 75 HD2 LYS 75 -7.827 17.457 14.549 595 HD3 LYS 75 HD3 LYS 75 -8.407 17.697 16.209 596 HE2 LYS 75 HE2 LYS 75 -6.411 19.122 16.633 597 HE3 LYS 75 HE3 LYS 75 -5.848 18.795 14.973 598 HZ1 LYS 75 HZ1 LYS 75 -6.940 20.800 14.822 599 HZ2 LYS 75 HZ2 LYS 75 -8.169 20.318 15.813 600 HZ3 LYS 75 HZ3 LYS 75 -8.086 19.720 14.291 601 H ASP 76 H ASP 76 -3.593 16.204 19.341 602 HA ASP 76 HA ASP 76 -2.868 14.055 20.721 603 HB2 ASP 76 HB2 ASP 76 -1.756 15.521 22.327 604 HB3 ASP 76 HB3 ASP 76 -1.711 16.292 20.758 605 H CYS 77 H CYS 77 -3.981 12.743 21.353 606 HA CYS 77 HA CYS 77 -5.076 12.425 23.988 607 HB2 CYS 77 HB2 CYS 77 -7.007 13.328 22.739 608 HB3 CYS 77 HB3 CYS 77 -6.733 12.145 21.478 609 H SER 78 H SER 78 -2.997 11.073 23.821 610 HA SER 78 HA SER 78 -2.458 9.428 21.572 611 HB2 SER 78 HB2 SER 78 -1.515 9.186 24.464 612 HB3 SER 78 HB3 SER 78 -0.712 8.424 23.085 613 HG SER 78 HG SER 78 0.222 10.448 23.678 614 H HIS 79 H HIS 79 -3.768 7.886 20.838 615 HA HIS 79 HA HIS 79 -4.452 5.651 22.694 616 HB2 HIS 79 HB2 HIS 79 -6.668 5.564 21.991 617 HB3 HIS 79 HB3 HIS 79 -6.375 7.262 22.266 618 HD1 HIS 79 HD1 HIS 79 -5.738 8.646 19.743 619 HD2 HIS 79 HD2 HIS 79 -7.799 5.011 19.708 620 HE1 HIS 79 HE1 HIS 79 -6.809 8.406 17.439 621 HE2 HIS 79 HE2 HIS 79 -8.137 6.244 17.468 622 H VAL 80 H VAL 80 -2.577 6.054 20.092 623 HA VAL 80 HA VAL 80 -4.186 5.212 17.930 624 HB VAL 80 HB VAL 80 -1.210 5.251 18.137 625 HG11 VAL 80 HG11 VAL 80 -1.960 4.007 16.164 626 HG12 VAL 80 HG12 VAL 80 -2.883 5.447 15.673 627 HG13 VAL 80 HG13 VAL 80 -1.108 5.488 15.728 628 HG21 VAL 80 HG21 VAL 80 -3.234 7.303 17.365 629 HG22 VAL 80 HG22 VAL 80 -2.070 7.416 18.727 630 HG23 VAL 80 HG23 VAL 80 -1.506 7.520 17.056 631 H PHE 81 H PHE 81 -4.671 3.582 16.907 632 HA PHE 81 HA PHE 81 -3.443 0.977 17.358 633 HB2 PHE 81 HB2 PHE 81 -5.278 -0.012 18.507 634 HB3 PHE 81 HB3 PHE 81 -4.912 1.468 19.384 635 HD1 PHE 81 HD1 PHE 81 -7.471 -0.539 18.376 636 HD2 PHE 81 HD2 PHE 81 -6.405 3.611 18.162 637 HE1 PHE 81 HE1 PHE 81 -9.850 0.055 18.210 638 HE2 PHE 81 HE2 PHE 81 -8.804 4.215 17.906 639 HZ PHE 81 HZ PHE 81 -10.552 2.450 17.940 640 H LYS 82 H LYS 82 -4.715 -0.734 16.158 641 HA LYS 82 HA LYS 82 -6.153 0.482 13.799 642 HB2 LYS 82 HB2 LYS 82 -5.002 -2.318 14.202 643 HB3 LYS 82 HB3 LYS 82 -5.899 -1.754 12.762 644 HG2 LYS 82 HG2 LYS 82 -4.174 -0.112 12.288 645 HG3 LYS 82 HG3 LYS 82 -3.255 -0.682 13.693 646 HD2 LYS 82 HD2 LYS 82 -3.143 -2.916 12.655 647 HD3 LYS 82 HD3 LYS 82 -4.153 -2.305 11.328 648 HE2 LYS 82 HE2 LYS 82 -1.849 -2.342 10.623 649 HE3 LYS 82 HE3 LYS 82 -2.346 -0.670 10.753 650 HZ1 LYS 82 HZ1 LYS 82 -0.123 -1.239 11.652 651 HZ2 LYS 82 HZ2 LYS 82 -0.842 -1.984 12.916 652 HZ3 LYS 82 HZ3 LYS 82 -1.081 -0.373 12.670 653 HA PRO 83 HA PRO 83 -9.622 -1.084 16.199 654 HB2 PRO 83 HB2 PRO 83 -11.625 0.042 14.731 655 HB3 PRO 83 HB3 PRO 83 -10.678 1.029 15.870 656 HG2 PRO 83 HG2 PRO 83 -10.291 0.669 12.944 657 HG3 PRO 83 HG3 PRO 83 -10.429 2.200 13.822 658 HD2 PRO 83 HD2 PRO 83 -8.058 1.219 13.217 659 HD3 PRO 83 HD3 PRO 83 -8.304 1.884 14.840 660 H ASN 84 H ASN 84 -11.111 -2.727 15.961 661 HA ASN 84 HA ASN 84 -11.213 -4.063 13.217 662 HB2 ASN 84 HB2 ASN 84 -11.029 -5.277 15.984 663 HB3 ASN 84 HB3 ASN 84 -11.404 -6.196 14.529 664 HD21 ASN 84 HD21 ASN 84 -9.008 -5.671 16.608 665 HD22 ASN 84 HD22 ASN 84 -7.627 -5.772 15.556 666 H ALA 85 H ALA 85 -12.924 -2.245 15.210 667 HA ALA 85 HA ALA 85 -15.462 -3.856 14.992 668 HB1 ALA 85 HB1 ALA 85 -16.201 -2.909 17.130 669 HB2 ALA 85 HB2 ALA 85 -14.755 -1.835 17.207 670 HB3 ALA 85 HB3 ALA 85 -14.615 -3.594 17.367 671 H LEU 86 H LEU 86 -17.393 -2.318 15.221 672 HA LEU 86 HA LEU 86 -17.336 -0.679 12.869 673 HB2 LEU 86 HB2 LEU 86 -19.387 -0.922 15.087 674 HB3 LEU 86 HB3 LEU 86 -19.677 -0.220 13.450 675 HG LEU 86 HG LEU 86 -18.961 -3.142 13.994 676 HD11 LEU 86 HD11 LEU 86 -21.187 -2.600 14.875 677 HD12 LEU 86 HD12 LEU 86 -21.362 -3.504 13.415 678 HD13 LEU 86 HD13 LEU 86 -21.597 -1.755 13.372 679 HD21 LEU 86 HD21 LEU 86 -19.921 -1.721 11.485 680 HD22 LEU 86 HD22 LEU 86 -19.627 -3.490 11.651 681 HD23 LEU 86 HD23 LEU 86 -18.285 -2.405 11.753 682 H ASP 87 H ASP 87 -16.086 0.078 15.841 683 HA ASP 87 HA ASP 87 -17.046 2.791 16.189 684 HB2 ASP 87 HB2 ASP 87 -15.523 2.911 18.028 685 HB3 ASP 87 HB3 ASP 87 -16.395 1.381 18.056 686 H TYR 88 H TYR 88 -15.637 1.879 13.633 687 HA TYR 88 HA TYR 88 -13.116 3.267 13.427 688 HB2 TYR 88 HB2 TYR 88 -15.262 2.846 11.339 689 HB3 TYR 88 HB3 TYR 88 -13.646 3.422 11.017 690 HD1 TYR 88 HD1 TYR 88 -11.696 1.775 11.358 691 HD2 TYR 88 HD2 TYR 88 -15.806 0.535 11.400 692 HE1 TYR 88 HE1 TYR 88 -10.974 -0.621 10.995 693 HE2 TYR 88 HE2 TYR 88 -15.100 -1.825 11.057 694 HH TYR 88 HH TYR 88 -13.319 -3.316 10.885 695 H GLY 89 H GLY 89 -12.651 5.406 12.862 696 HA2 GLY 89 HA2 GLY 89 -13.123 7.564 12.082 697 HA3 GLY 89 HA3 GLY 89 -14.856 7.245 12.236 698 H VAL 90 H VAL 90 -13.584 6.330 15.200 699 HA VAL 90 HA VAL 90 -13.545 9.123 16.254 700 HB VAL 90 HB VAL 90 -14.898 8.377 18.242 701 HG11 VAL 90 HG11 VAL 90 -17.111 8.286 17.164 702 HG12 VAL 90 HG12 VAL 90 -16.044 9.448 16.333 703 HG13 VAL 90 HG13 VAL 90 -16.358 7.889 15.613 704 HG21 VAL 90 HG21 VAL 90 -16.160 6.277 18.246 705 HG22 VAL 90 HG22 VAL 90 -15.413 5.811 16.677 706 HG23 VAL 90 HG23 VAL 90 -14.392 5.934 18.136 707 H CYS 91 H CYS 91 -12.543 9.065 18.476 708 HA CYS 91 HA CYS 91 -10.160 7.390 18.453 709 HB2 CYS 91 HB2 CYS 91 -10.233 9.763 19.320 710 HB3 CYS 91 HB3 CYS 91 -11.376 9.232 20.559 711 H GLU 92 H GLU 92 -9.601 6.141 20.510 712 HA GLU 92 HA GLU 92 -11.864 4.345 21.330 713 HB2 GLU 92 HB2 GLU 92 -9.753 3.311 20.434 714 HB3 GLU 92 HB3 GLU 92 -8.875 4.072 21.725 715 HG2 GLU 92 HG2 GLU 92 -10.147 2.781 23.377 716 HG3 GLU 92 HG3 GLU 92 -11.067 2.020 22.106 717 H LYS 93 H LYS 93 -9.347 6.529 22.497 718 HA LYS 93 HA LYS 93 -9.610 6.113 25.291 719 HB2 LYS 93 HB2 LYS 93 -7.687 7.028 24.040 720 HB3 LYS 93 HB3 LYS 93 -8.579 8.492 23.833 721 HG2 LYS 93 HG2 LYS 93 -7.037 8.822 25.539 722 HG3 LYS 93 HG3 LYS 93 -8.630 8.734 26.314 723 HD2 LYS 93 HD2 LYS 93 -8.228 6.371 26.868 724 HD3 LYS 93 HD3 LYS 93 -6.633 6.513 26.118 725 HE2 LYS 93 HE2 LYS 93 -6.076 8.311 27.654 726 HE3 LYS 93 HE3 LYS 93 -7.633 8.105 28.466 727 HZ1 LYS 93 HZ1 LYS 93 -7.007 5.852 28.969 728 HZ2 LYS 93 HZ2 LYS 93 -6.012 6.956 29.669 729 HZ3 LYS 93 HZ3 LYS 93 -5.495 6.126 28.348 730 H CYS 94 H CYS 94 -10.988 8.275 22.996 731 HA CYS 94 HA CYS 94 -13.106 9.134 24.872 732 HB2 CYS 94 HB2 CYS 94 -13.065 11.361 24.005 733 HB3 CYS 94 HB3 CYS 94 -11.456 11.063 24.605 734 H HIS 95 H HIS 95 -14.987 9.726 23.250 735 HA HIS 95 HA HIS 95 -14.512 8.196 20.747 736 HB2 HIS 95 HB2 HIS 95 -17.085 8.169 22.290 737 HB3 HIS 95 HB3 HIS 95 -16.761 7.369 20.743 738 HD1 HIS 95 HD1 HIS 95 -16.639 6.594 24.339 739 HD2 HIS 95 HD2 HIS 95 -14.708 5.370 20.838 740 HE1 HIS 95 HE1 HIS 95 -15.626 4.331 24.830 741 HE2 HIS 95 HE2 HIS 95 -14.388 3.639 22.719 742 H SER 96 H SER 96 -13.954 10.832 21.224 743 HA SER 96 HA SER 96 -16.110 12.458 20.114 744 HB2 SER 96 HB2 SER 96 -14.472 13.429 21.752 745 HB3 SER 96 HB3 SER 96 -13.163 13.011 20.622 746 HG SER 96 HG SER 96 -13.965 14.497 19.154 747 H LYS 97 H LYS 97 -16.105 13.261 17.935 748 HA LYS 97 HA LYS 97 -14.416 11.819 15.941 749 HB2 LYS 97 HB2 LYS 97 -16.285 14.215 15.653 750 HB3 LYS 97 HB3 LYS 97 -15.405 13.430 14.346 751 HG2 LYS 97 HG2 LYS 97 -16.635 11.360 14.782 752 HG3 LYS 97 HG3 LYS 97 -17.506 12.103 16.112 753 HD2 LYS 97 HD2 LYS 97 -18.909 12.088 14.164 754 HD3 LYS 97 HD3 LYS 97 -18.466 13.788 14.485 755 HE2 LYS 97 HE2 LYS 97 -18.362 13.406 12.071 756 HE3 LYS 97 HE3 LYS 97 -16.748 13.627 12.661 757 HZ1 LYS 97 HZ1 LYS 97 -16.904 11.823 11.101 758 HZ2 LYS 97 HZ2 LYS 97 -18.046 11.039 11.995 759 HZ3 LYS 97 HZ3 LYS 97 -16.522 11.207 12.595 760 H ASN 98 H ASN 98 -13.081 13.152 14.575 761 HA ASN 98 HA ASN 98 -11.658 15.092 14.138 762 HB2 ASN 98 HB2 ASN 98 -10.614 16.513 15.646 763 HB3 ASN 98 HB3 ASN 98 -12.304 16.484 16.116 764 HD21 ASN 98 HD21 ASN 98 -10.090 17.346 17.624 765 HD22 ASN 98 HD22 ASN 98 -9.934 16.322 19.039 766 H VAL 99 H VAL 99 -11.339 12.384 14.021 767 HA VAL 99 HA VAL 99 -8.505 12.024 14.849 768 HB VAL 99 HB VAL 99 -8.892 9.550 14.808 769 HG11 VAL 99 HG11 VAL 99 -10.942 10.984 16.535 770 HG12 VAL 99 HG12 VAL 99 -9.201 10.756 16.902 771 HG13 VAL 99 HG13 VAL 99 -10.238 9.344 16.800 772 HG21 VAL 99 HG21 VAL 99 -11.084 8.631 14.575 773 HG22 VAL 99 HG22 VAL 99 -10.683 9.593 13.139 774 HG23 VAL 99 HG23 VAL 99 -11.795 10.185 14.413 775 H ILE 100 H ILE 100 -7.323 10.765 13.294 776 HA ILE 100 HA ILE 100 -8.365 11.079 10.514 777 HB ILE 100 HB ILE 100 -6.145 11.722 9.766 778 HG12 ILE 100 HG12 ILE 100 -5.336 11.986 12.679 779 HG13 ILE 100 HG13 ILE 100 -4.912 10.587 11.653 780 HG21 ILE 100 HG21 ILE 100 -7.815 13.466 10.479 781 HG22 ILE 100 HG22 ILE 100 -6.184 14.046 10.497 782 HG23 ILE 100 HG23 ILE 100 -6.997 13.557 12.011 783 HD11 ILE 100 HD11 ILE 100 -3.700 12.149 10.153 784 HD12 ILE 100 HD12 ILE 100 -3.020 12.065 11.787 785 HD13 ILE 100 HD13 ILE 100 -4.027 13.446 11.302 786 H ILE 101 H ILE 101 -7.224 9.720 8.989 787 HA ILE 101 HA ILE 101 -6.561 7.064 10.157 788 HB ILE 101 HB ILE 101 -7.109 7.960 7.282 789 HG12 ILE 101 HG12 ILE 101 -8.917 6.399 9.154 790 HG13 ILE 101 HG13 ILE 101 -9.042 8.094 8.872 791 HG21 ILE 101 HG21 ILE 101 -5.647 6.015 7.351 792 HG22 ILE 101 HG22 ILE 101 -7.296 5.479 6.880 793 HG23 ILE 101 HG23 ILE 101 -6.710 5.237 8.531 794 HD11 ILE 101 HD11 ILE 101 -9.506 7.751 6.494 795 HD12 ILE 101 HD12 ILE 101 -9.406 5.985 6.712 796 HD13 ILE 101 HD13 ILE 101 -10.679 6.898 7.520 797 H THR 102 H THR 102 -4.480 6.500 10.295 798 HA THR 102 HA THR 102 -2.551 8.199 8.821 799 HB THR 102 HB THR 102 -0.919 7.539 10.480 800 HG1 THR 102 HG1 THR 102 -1.419 6.013 11.991 801 HG21 THR 102 HG21 THR 102 -3.450 8.261 11.918 802 HG22 THR 102 HG22 THR 102 -2.595 9.417 10.865 803 HG23 THR 102 HG23 THR 102 -1.811 8.757 12.326 804 H GLN 103 H GLN 103 -3.740 5.026 9.024 805 HA GLN 103 HA GLN 103 -1.789 4.166 6.972 806 HB2 GLN 103 HB2 GLN 103 -2.630 2.542 9.359 807 HB3 GLN 103 HB3 GLN 103 -1.712 1.942 8.014 808 HG2 GLN 103 HG2 GLN 103 0.097 3.528 8.521 809 HG3 GLN 103 HG3 GLN 103 -0.831 4.120 9.911 810 HE21 GLN 103 HE21 GLN 103 1.122 3.556 11.109 811 HE22 GLN 103 HE22 GLN 103 1.280 1.916 11.699 812 H GLY 104 H GLY 104 -2.764 2.670 5.441 813 HA2 GLY 104 HA2 GLY 104 -4.554 1.346 4.658 814 HA3 GLY 104 HA3 GLY 104 -5.500 1.739 6.093 815 H ASN 105 H ASN 105 -4.253 4.567 4.771 816 HA ASN 105 HA ASN 105 -6.884 5.184 3.537 817 HB2 ASN 105 HB2 ASN 105 -6.077 7.501 3.534 818 HB3 ASN 105 HB3 ASN 105 -5.860 6.852 5.179 819 HD21 ASN 105 HD21 ASN 105 -4.403 8.841 3.057 820 HD22 ASN 105 HD22 ASN 105 -2.726 8.523 3.415 821 H GLU 106 H GLU 106 -3.807 4.101 2.749 822 HA GLU 106 HA GLU 106 -4.156 4.628 -0.114 823 HB2 GLU 106 HB2 GLU 106 -2.095 5.813 -0.418 824 HB3 GLU 106 HB3 GLU 106 -3.070 6.686 0.755 825 HG2 GLU 106 HG2 GLU 106 -1.752 5.693 2.582 826 HG3 GLU 106 HG3 GLU 106 -0.740 4.886 1.361 827 H MET 107 H MET 107 -2.102 3.734 -1.257 828 HA MET 107 HA MET 107 -1.836 0.924 -0.708 829 HB2 MET 107 HB2 MET 107 -1.561 2.101 -2.897 830 HB3 MET 107 HB3 MET 107 -0.061 2.785 -2.288 831 HG2 MET 107 HG2 MET 107 0.902 0.518 -2.075 832 HG3 MET 107 HG3 MET 107 -0.568 -0.150 -2.823 833 HE1 MET 107 HE1 MET 107 1.850 2.990 -3.274 834 HE2 MET 107 HE2 MET 107 2.974 1.604 -3.333 835 HE3 MET 107 HE3 MET 107 2.644 2.551 -4.784 836 H ARG 108 H ARG 108 -0.131 -0.269 0.111 837 HA ARG 108 HA ARG 108 2.313 1.098 1.135 838 HB2 ARG 108 HB2 ARG 108 0.551 1.042 2.923 839 HB3 ARG 108 HB3 ARG 108 0.488 -0.735 2.751 840 HG2 ARG 108 HG2 ARG 108 2.798 -0.942 3.519 841 HG3 ARG 108 HG3 ARG 108 2.885 0.827 3.764 842 HD2 ARG 108 HD2 ARG 108 0.964 0.727 5.294 843 HD3 ARG 108 HD3 ARG 108 0.840 -1.049 5.060 844 HE ARG 108 HE ARG 108 3.446 -0.460 6.022 845 HH11 ARG 108 HH11 ARG 108 0.090 -0.280 7.176 846 HH12 ARG 108 HH12 ARG 108 0.569 -0.370 8.831 847 HH21 ARG 108 HH21 ARG 108 3.944 -0.586 8.156 848 HH22 ARG 108 HH22 ARG 108 2.684 -0.581 9.385 849 H LEU 109 H LEU 109 4.123 -0.421 1.178 850 HA LEU 109 HA LEU 109 3.594 -2.986 -0.318 851 HB2 LEU 109 HB2 LEU 109 6.110 -1.484 0.567 852 HB3 LEU 109 HB3 LEU 109 6.160 -3.144 -0.029 853 HG LEU 109 HG LEU 109 5.112 -0.833 -1.705 854 HD11 LEU 109 HD11 LEU 109 7.502 -0.587 -1.058 855 HD12 LEU 109 HD12 LEU 109 7.319 -1.015 -2.807 856 HD13 LEU 109 HD13 LEU 109 7.827 -2.274 -1.630 857 HD21 LEU 109 HD21 LEU 109 5.586 -2.491 -3.490 858 HD22 LEU 109 HD22 LEU 109 4.292 -2.969 -2.411 859 HD23 LEU 109 HD23 LEU 109 5.874 -3.701 -2.215 860 H LEU 110 H LEU 110 3.636 -4.979 0.717 861 HA LEU 110 HA LEU 110 4.310 -4.830 3.615 862 HB2 LEU 110 HB2 LEU 110 2.664 -6.917 2.133 863 HB3 LEU 110 HB3 LEU 110 2.939 -6.870 3.852 864 HG LEU 110 HG LEU 110 1.519 -4.699 2.255 865 HD11 LEU 110 HD11 LEU 110 0.487 -6.893 4.114 866 HD12 LEU 110 HD12 LEU 110 0.318 -6.867 2.308 867 HD13 LEU 110 HD13 LEU 110 -0.496 -5.615 3.317 868 HD21 LEU 110 HD21 LEU 110 0.808 -3.814 4.430 869 HD22 LEU 110 HD22 LEU 110 2.596 -3.879 4.407 870 HD23 LEU 110 HD23 LEU 110 1.657 -5.116 5.291 871 H SER 111 H SER 111 4.857 -6.956 0.686 872 HA SER 111 HA SER 111 7.415 -7.809 1.878 873 HB2 SER 111 HB2 SER 111 5.294 -9.801 0.957 874 HB3 SER 111 HB3 SER 111 6.951 -10.192 1.475 875 HG SER 111 HG SER 111 5.378 -10.501 3.102 876 H LEU 112 H LEU 112 8.889 -8.621 0.226 877 HA LEU 112 HA LEU 112 7.812 -8.595 -2.607 878 HB2 LEU 112 HB2 LEU 112 10.469 -7.397 -1.680 879 HB3 LEU 112 HB3 LEU 112 9.958 -7.652 -3.328 880 HG LEU 112 HG LEU 112 8.152 -5.945 -3.100 881 HD11 LEU 112 HD11 LEU 112 9.313 -5.695 -0.333 882 HD12 LEU 112 HD12 LEU 112 7.634 -5.828 -0.810 883 HD13 LEU 112 HD13 LEU 112 8.537 -4.322 -1.145 884 HD21 LEU 112 HD21 LEU 112 10.990 -5.104 -2.396 885 HD22 LEU 112 HD22 LEU 112 9.728 -4.033 -3.052 886 HD23 LEU 112 HD23 LEU 112 10.353 -5.414 -4.015 887 H GLU 113 H GLU 113 8.763 -10.326 -3.897 888 HA GLU 113 HA GLU 113 10.822 -12.053 -2.490 889 HB2 GLU 113 HB2 GLU 113 9.046 -12.582 -4.897 890 HB3 GLU 113 HB3 GLU 113 10.373 -13.585 -4.440 891 HG2 GLU 113 HG2 GLU 113 9.275 -13.930 -2.236 892 HG3 GLU 113 HG3 GLU 113 7.899 -13.044 -2.879 893 H MET 114 H MET 114 12.952 -11.918 -3.376 894 HA MET 114 HA MET 114 13.167 -10.245 -5.806 895 HB2 MET 114 HB2 MET 114 14.641 -9.902 -3.195 896 HB3 MET 114 HB3 MET 114 14.873 -8.909 -4.648 897 HG2 MET 114 HG2 MET 114 12.448 -8.182 -4.482 898 HG3 MET 114 HG3 MET 114 12.294 -9.193 -3.037 899 HE1 MET 114 HE1 MET 114 14.362 -5.264 -3.159 900 HE2 MET 114 HE2 MET 114 13.030 -5.771 -4.221 901 HE3 MET 114 HE3 MET 114 14.609 -6.566 -4.352 902 H LEU 115 H LEU 115 15.105 -10.502 -7.057 903 HA LEU 115 HA LEU 115 16.774 -12.897 -6.325 904 HB2 LEU 115 HB2 LEU 115 16.338 -11.625 -8.999 905 HB3 LEU 115 HB3 LEU 115 17.379 -12.955 -8.671 906 HG LEU 115 HG LEU 115 14.417 -12.975 -8.372 907 HD11 LEU 115 HD11 LEU 115 14.451 -14.339 -10.348 908 HD12 LEU 115 HD12 LEU 115 16.230 -14.313 -10.371 909 HD13 LEU 115 HD13 LEU 115 15.294 -12.832 -10.637 910 HD21 LEU 115 HD21 LEU 115 15.330 -14.542 -6.838 911 HD22 LEU 115 HD22 LEU 115 16.395 -15.240 -8.069 912 HD23 LEU 115 HD23 LEU 115 14.605 -15.447 -8.185 913 H ALA 116 H ALA 116 18.990 -12.580 -6.021 914 HA ALA 116 HA ALA 116 19.980 -9.988 -5.601 915 HB1 ALA 116 HB1 ALA 116 22.205 -11.098 -5.388 916 HB2 ALA 116 HB2 ALA 116 21.486 -12.595 -6.028 917 HB3 ALA 116 HB3 ALA 116 20.926 -11.911 -4.491 918 H GLU 117 H GLU 117 21.539 -8.676 -6.541 919 HA GLU 117 HA GLU 117 21.388 -8.394 -9.385 920 HB2 GLU 117 HB2 GLU 117 22.846 -6.510 -9.059 921 HB3 GLU 117 HB3 GLU 117 21.690 -6.574 -7.732 922 HG2 GLU 117 HG2 GLU 117 23.473 -7.621 -6.305 923 HG3 GLU 117 HG3 GLU 117 24.626 -7.477 -7.662 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -8.159 8.406 -3.769 2 H2 MET 1 H2 MET 1 -8.565 9.660 -4.787 3 H3 MET 1 H3 MET 1 -8.032 9.965 -3.251 4 HA MET 1 HA MET 1 -6.275 10.470 -4.795 5 HB2 MET 1 HB2 MET 1 -5.829 7.960 -3.119 6 HB3 MET 1 HB3 MET 1 -4.575 8.982 -3.806 7 HG2 MET 1 HG2 MET 1 -5.390 10.943 -2.605 8 HG3 MET 1 HG3 MET 1 -6.677 9.953 -1.880 9 HE1 MET 1 HE1 MET 1 -2.211 9.873 -0.846 10 HE2 MET 1 HE2 MET 1 -3.024 11.080 -1.883 11 HE3 MET 1 HE3 MET 1 -2.759 9.429 -2.464 12 H HIS 2 H HIS 2 -4.786 9.745 -6.426 13 HA HIS 2 HA HIS 2 -6.241 8.054 -8.328 14 HB2 HIS 2 HB2 HIS 2 -3.540 9.415 -8.334 15 HB3 HIS 2 HB3 HIS 2 -4.291 8.689 -9.803 16 HD1 HIS 2 HD1 HIS 2 -3.556 11.686 -9.935 17 HD2 HIS 2 HD2 HIS 2 -7.251 10.276 -8.467 18 HE1 HIS 2 HE1 HIS 2 -5.220 13.598 -10.127 19 HE2 HIS 2 HE2 HIS 2 -7.410 12.770 -9.280 20 H GLU 3 H GLU 3 -5.852 5.841 -8.760 21 HA GLU 3 HA GLU 3 -3.938 4.475 -7.068 22 HB2 GLU 3 HB2 GLU 3 -5.401 3.539 -9.567 23 HB3 GLU 3 HB3 GLU 3 -4.439 2.497 -8.505 24 HG2 GLU 3 HG2 GLU 3 -6.679 2.138 -7.801 25 HG3 GLU 3 HG3 GLU 3 -6.037 3.253 -6.604 26 H TYR 4 H TYR 4 -3.978 5.675 -10.407 27 HA TYR 4 HA TYR 4 -1.552 4.339 -11.261 28 HB2 TYR 4 HB2 TYR 4 -3.074 6.803 -12.259 29 HB3 TYR 4 HB3 TYR 4 -1.601 6.180 -13.037 30 HD1 TYR 4 HD1 TYR 4 -1.624 4.331 -14.536 31 HD2 TYR 4 HD2 TYR 4 -5.120 5.209 -12.205 32 HE1 TYR 4 HE1 TYR 4 -2.917 2.684 -15.857 33 HE2 TYR 4 HE2 TYR 4 -6.432 3.555 -13.583 34 HH TYR 4 HH TYR 4 -6.365 2.017 -15.333 35 H SER 5 H SER 5 -2.125 7.343 -9.427 36 HA SER 5 HA SER 5 0.634 8.253 -9.787 37 HB2 SER 5 HB2 SER 5 -1.155 9.802 -9.164 38 HB3 SER 5 HB3 SER 5 -1.346 8.933 -7.632 39 HG SER 5 HG SER 5 0.521 10.778 -8.350 40 H VAL 6 H VAL 6 -1.152 6.185 -7.487 41 HA VAL 6 HA VAL 6 1.076 6.020 -5.650 42 HB VAL 6 HB VAL 6 -1.350 4.231 -5.928 43 HG11 VAL 6 HG11 VAL 6 -0.767 3.659 -3.526 44 HG12 VAL 6 HG12 VAL 6 0.403 3.054 -4.717 45 HG13 VAL 6 HG13 VAL 6 0.785 4.501 -3.762 46 HG21 VAL 6 HG21 VAL 6 -1.764 6.683 -5.434 47 HG22 VAL 6 HG22 VAL 6 -0.734 6.516 -4.008 48 HG23 VAL 6 HG23 VAL 6 -2.241 5.593 -4.115 49 H VAL 7 H VAL 7 -0.023 4.032 -8.408 50 HA VAL 7 HA VAL 7 1.935 1.913 -7.964 51 HB VAL 7 HB VAL 7 0.385 2.640 -10.446 52 HG11 VAL 7 HG11 VAL 7 2.386 1.385 -11.023 53 HG12 VAL 7 HG12 VAL 7 0.934 0.412 -11.233 54 HG13 VAL 7 HG13 VAL 7 1.995 0.150 -9.812 55 HG21 VAL 7 HG21 VAL 7 -0.886 0.536 -9.827 56 HG22 VAL 7 HG22 VAL 7 -1.184 1.925 -8.783 57 HG23 VAL 7 HG23 VAL 7 -0.087 0.629 -8.260 58 H SER 8 H SER 8 1.808 4.949 -9.814 59 HA SER 8 HA SER 8 4.228 4.499 -11.273 60 HB2 SER 8 HB2 SER 8 2.700 6.354 -11.808 61 HB3 SER 8 HB3 SER 8 3.090 7.144 -10.292 62 HG SER 8 HG SER 8 4.318 7.891 -12.135 63 H SER 9 H SER 9 3.574 5.674 -7.977 64 HA SER 9 HA SER 9 6.366 6.223 -7.319 65 HB2 SER 9 HB2 SER 9 4.451 7.231 -6.061 66 HB3 SER 9 HB3 SER 9 3.959 5.639 -5.467 67 HG SER 9 HG SER 9 5.267 6.665 -3.974 68 H LEU 10 H LEU 10 4.179 3.398 -7.140 69 HA LEU 10 HA LEU 10 5.780 1.755 -5.428 70 HB2 LEU 10 HB2 LEU 10 3.388 1.250 -6.091 71 HB3 LEU 10 HB3 LEU 10 3.977 0.945 -7.752 72 HG LEU 10 HG LEU 10 5.300 -0.922 -7.025 73 HD11 LEU 10 HD11 LEU 10 4.070 -0.536 -4.268 74 HD12 LEU 10 HD12 LEU 10 5.758 -0.256 -4.729 75 HD13 LEU 10 HD13 LEU 10 5.103 -1.908 -4.829 76 HD21 LEU 10 HD21 LEU 10 2.910 -1.188 -7.800 77 HD22 LEU 10 HD22 LEU 10 3.384 -2.407 -6.585 78 HD23 LEU 10 HD23 LEU 10 2.385 -1.034 -6.088 79 H ILE 11 H ILE 11 5.928 2.326 -8.967 80 HA ILE 11 HA ILE 11 7.814 0.231 -9.427 81 HB ILE 11 HB ILE 11 7.539 2.870 -10.916 82 HG12 ILE 11 HG12 ILE 11 5.456 1.618 -10.964 83 HG13 ILE 11 HG13 ILE 11 6.181 1.600 -12.533 84 HG21 ILE 11 HG21 ILE 11 8.586 1.485 -12.824 85 HG22 ILE 11 HG22 ILE 11 9.013 0.276 -11.598 86 HG23 ILE 11 HG23 ILE 11 9.712 1.911 -11.464 87 HD11 ILE 11 HD11 ILE 11 5.196 -0.607 -12.017 88 HD12 ILE 11 HD12 ILE 11 6.108 -0.715 -10.487 89 HD13 ILE 11 HD13 ILE 11 6.981 -0.767 -12.060 90 H ALA 12 H ALA 12 8.191 3.654 -8.447 91 HA ALA 12 HA ALA 12 11.062 3.516 -8.558 92 HB1 ALA 12 HB1 ALA 12 11.028 5.595 -7.269 93 HB2 ALA 12 HB2 ALA 12 9.257 5.375 -7.036 94 HB3 ALA 12 HB3 ALA 12 9.903 5.651 -8.670 95 H LEU 13 H LEU 13 8.630 2.901 -6.113 96 HA LEU 13 HA LEU 13 10.399 2.606 -3.915 97 HB2 LEU 13 HB2 LEU 13 7.926 2.927 -3.882 98 HB3 LEU 13 HB3 LEU 13 7.771 1.258 -4.383 99 HG LEU 13 HG LEU 13 8.756 0.526 -2.241 100 HD11 LEU 13 HD11 LEU 13 10.185 2.500 -1.788 101 HD12 LEU 13 HD12 LEU 13 9.137 2.073 -0.465 102 HD13 LEU 13 HD13 LEU 13 8.700 3.447 -1.476 103 HD21 LEU 13 HD21 LEU 13 6.817 1.039 -0.918 104 HD22 LEU 13 HD22 LEU 13 6.483 2.479 -1.869 105 HD23 LEU 13 HD23 LEU 13 6.289 0.854 -2.554 106 H CYS 14 H CYS 14 9.199 0.246 -6.329 107 HA CYS 14 HA CYS 14 10.359 -1.934 -4.870 108 HB2 CYS 14 HB2 CYS 14 9.660 -3.284 -6.690 109 HB3 CYS 14 HB3 CYS 14 8.419 -2.073 -6.444 110 HG CYS 14 HG CYS 14 8.629 -2.670 -8.919 111 H GLU 15 H GLU 15 11.460 0.335 -7.275 112 HA GLU 15 HA GLU 15 13.883 -1.072 -7.832 113 HB2 GLU 15 HB2 GLU 15 13.213 1.865 -8.057 114 HB3 GLU 15 HB3 GLU 15 14.717 1.170 -8.575 115 HG2 GLU 15 HG2 GLU 15 13.562 -0.335 -10.180 116 HG3 GLU 15 HG3 GLU 15 12.032 0.416 -9.702 117 H GLU 16 H GLU 16 13.044 1.308 -5.279 118 HA GLU 16 HA GLU 16 15.799 1.454 -4.544 119 HB2 GLU 16 HB2 GLU 16 15.247 2.554 -2.576 120 HB3 GLU 16 HB3 GLU 16 14.219 3.235 -3.822 121 HG2 GLU 16 HG2 GLU 16 12.379 1.862 -3.054 122 HG3 GLU 16 HG3 GLU 16 13.386 1.216 -1.742 123 H HIS 17 H HIS 17 13.156 -0.693 -3.674 124 HA HIS 17 HA HIS 17 14.651 -2.074 -1.605 125 HB2 HIS 17 HB2 HIS 17 12.303 -2.941 -3.322 126 HB3 HIS 17 HB3 HIS 17 13.018 -3.923 -2.022 127 HD1 HIS 17 HD1 HIS 17 12.819 -3.274 0.444 128 HD2 HIS 17 HD2 HIS 17 10.554 -0.926 -2.180 129 HE1 HIS 17 HE1 HIS 17 11.138 -1.925 1.868 130 HE2 HIS 17 HE2 HIS 17 9.873 -0.424 0.245 131 H ALA 18 H ALA 18 14.524 -2.354 -5.165 132 HA ALA 18 HA ALA 18 15.830 -4.878 -5.286 133 HB1 ALA 18 HB1 ALA 18 16.180 -2.588 -7.215 134 HB2 ALA 18 HB2 ALA 18 14.765 -3.626 -7.218 135 HB3 ALA 18 HB3 ALA 18 16.326 -4.285 -7.568 136 H LYS 19 H LYS 19 16.979 -1.530 -4.990 137 HA LYS 19 HA LYS 19 19.785 -2.169 -5.072 138 HB2 LYS 19 HB2 LYS 19 18.304 0.125 -3.717 139 HB3 LYS 19 HB3 LYS 19 20.064 0.054 -3.941 140 HG2 LYS 19 HG2 LYS 19 19.648 0.095 -6.384 141 HG3 LYS 19 HG3 LYS 19 17.917 0.200 -6.091 142 HD2 LYS 19 HD2 LYS 19 18.252 2.261 -4.781 143 HD3 LYS 19 HD3 LYS 19 20.002 2.175 -5.181 144 HE2 LYS 19 HE2 LYS 19 17.688 2.366 -7.131 145 HE3 LYS 19 HE3 LYS 19 18.729 3.686 -6.646 146 HZ1 LYS 19 HZ1 LYS 19 19.597 1.301 -8.087 147 HZ2 LYS 19 HZ2 LYS 19 20.562 2.536 -7.626 148 HZ3 LYS 19 HZ3 LYS 19 19.389 2.779 -8.742 149 H LYS 20 H LYS 20 17.420 -2.020 -2.442 150 HA LYS 20 HA LYS 20 19.330 -2.215 -0.318 151 HB2 LYS 20 HB2 LYS 20 16.399 -2.995 -0.344 152 HB3 LYS 20 HB3 LYS 20 17.421 -2.922 1.075 153 HG2 LYS 20 HG2 LYS 20 17.775 -0.477 0.716 154 HG3 LYS 20 HG3 LYS 20 16.736 -0.569 -0.675 155 HD2 LYS 20 HD2 LYS 20 14.876 -1.398 0.714 156 HD3 LYS 20 HD3 LYS 20 15.891 -1.174 2.144 157 HE2 LYS 20 HE2 LYS 20 16.139 1.256 1.523 158 HE3 LYS 20 HE3 LYS 20 15.089 0.946 0.141 159 HZ1 LYS 20 HZ1 LYS 20 13.402 0.163 1.897 160 HZ2 LYS 20 HZ2 LYS 20 13.650 1.817 1.725 161 HZ3 LYS 20 HZ3 LYS 20 14.363 0.975 2.987 162 H ASN 21 H ASN 21 17.694 -4.644 -2.301 163 HA ASN 21 HA ASN 21 18.848 -6.740 -0.544 164 HB2 ASN 21 HB2 ASN 21 16.380 -6.776 -1.214 165 HB3 ASN 21 HB3 ASN 21 16.946 -7.122 -2.865 166 HD21 ASN 21 HD21 ASN 21 16.402 -9.163 -3.154 167 HD22 ASN 21 HD22 ASN 21 16.778 -10.499 -2.117 168 H GLN 22 H GLN 22 19.937 -4.989 -2.986 169 HA GLN 22 HA GLN 22 21.518 -5.202 -4.620 170 HB2 GLN 22 HB2 GLN 22 22.271 -7.666 -2.987 171 HB3 GLN 22 HB3 GLN 22 23.306 -6.909 -4.238 172 HG2 GLN 22 HG2 GLN 22 23.207 -4.786 -2.946 173 HG3 GLN 22 HG3 GLN 22 22.340 -5.609 -1.624 174 HE21 GLN 22 HE21 GLN 22 23.670 -6.033 0.051 175 HE22 GLN 22 HE22 GLN 22 25.329 -6.585 -0.124 176 H ALA 23 H ALA 23 19.074 -6.019 -5.439 177 HA ALA 23 HA ALA 23 19.693 -8.425 -7.106 178 HB1 ALA 23 HB1 ALA 23 18.005 -9.250 -5.583 179 HB2 ALA 23 HB2 ALA 23 17.054 -8.704 -6.981 180 HB3 ALA 23 HB3 ALA 23 17.124 -7.694 -5.542 181 H HIS 24 H HIS 24 18.737 -8.319 -9.288 182 HA HIS 24 HA HIS 24 18.386 -5.463 -10.046 183 HB2 HIS 24 HB2 HIS 24 19.084 -6.087 -12.249 184 HB3 HIS 24 HB3 HIS 24 20.227 -6.836 -11.125 185 HD1 HIS 24 HD1 HIS 24 18.458 -7.470 -14.164 186 HD2 HIS 24 HD2 HIS 24 18.999 -9.747 -10.700 187 HE1 HIS 24 HE1 HIS 24 18.100 -9.928 -14.791 188 HE2 HIS 24 HE2 HIS 24 18.293 -11.247 -12.631 189 H LYS 25 H LYS 25 16.456 -8.360 -9.723 190 HA LYS 25 HA LYS 25 14.274 -7.064 -11.315 191 HB2 LYS 25 HB2 LYS 25 15.780 -8.445 -12.762 192 HB3 LYS 25 HB3 LYS 25 15.270 -9.872 -11.879 193 HG2 LYS 25 HG2 LYS 25 13.430 -7.993 -13.438 194 HG3 LYS 25 HG3 LYS 25 14.244 -9.411 -14.104 195 HD2 LYS 25 HD2 LYS 25 13.092 -10.870 -12.491 196 HD3 LYS 25 HD3 LYS 25 12.189 -9.466 -11.880 197 HE2 LYS 25 HE2 LYS 25 10.806 -10.588 -13.435 198 HE3 LYS 25 HE3 LYS 25 11.327 -9.025 -14.138 199 HZ1 LYS 25 HZ1 LYS 25 11.624 -10.673 -15.801 200 HZ2 LYS 25 HZ2 LYS 25 12.360 -11.736 -14.773 201 HZ3 LYS 25 HZ3 LYS 25 13.160 -10.369 -15.258 202 H ILE 26 H ILE 26 12.271 -7.440 -10.464 203 HA ILE 26 HA ILE 26 12.108 -9.255 -8.071 204 HB ILE 26 HB ILE 26 10.358 -6.954 -8.974 205 HG12 ILE 26 HG12 ILE 26 12.397 -7.094 -6.717 206 HG13 ILE 26 HG13 ILE 26 12.766 -6.372 -8.259 207 HG21 ILE 26 HG21 ILE 26 9.383 -7.124 -6.736 208 HG22 ILE 26 HG22 ILE 26 10.362 -8.544 -6.383 209 HG23 ILE 26 HG23 ILE 26 9.141 -8.652 -7.643 210 HD11 ILE 26 HD11 ILE 26 10.667 -5.435 -6.311 211 HD12 ILE 26 HD12 ILE 26 12.262 -4.710 -6.633 212 HD13 ILE 26 HD13 ILE 26 11.012 -4.698 -7.889 213 H GLU 27 H GLU 27 10.959 -11.188 -8.299 214 HA GLU 27 HA GLU 27 9.328 -11.641 -10.725 215 HB2 GLU 27 HB2 GLU 27 10.022 -13.427 -8.387 216 HB3 GLU 27 HB3 GLU 27 9.002 -13.906 -9.713 217 HG2 GLU 27 HG2 GLU 27 11.806 -12.998 -9.964 218 HG3 GLU 27 HG3 GLU 27 11.290 -14.668 -10.004 219 H ARG 28 H ARG 28 8.782 -11.054 -7.240 220 HA ARG 28 HA ARG 28 5.904 -10.995 -7.869 221 HB2 ARG 28 HB2 ARG 28 6.435 -13.294 -7.016 222 HB3 ARG 28 HB3 ARG 28 6.968 -12.588 -5.556 223 HG2 ARG 28 HG2 ARG 28 4.705 -11.659 -5.187 224 HG3 ARG 28 HG3 ARG 28 4.150 -12.553 -6.619 225 HD2 ARG 28 HD2 ARG 28 5.402 -13.754 -4.101 226 HD3 ARG 28 HD3 ARG 28 3.692 -13.779 -4.499 227 HE ARG 28 HE ARG 28 5.784 -15.504 -5.561 228 HH11 ARG 28 HH11 ARG 28 2.478 -14.385 -5.997 229 HH12 ARG 28 HH12 ARG 28 2.069 -15.696 -7.069 230 HH21 ARG 28 HH21 ARG 28 5.248 -17.063 -7.015 231 HH22 ARG 28 HH22 ARG 28 3.616 -17.224 -7.615 232 H VAL 29 H VAL 29 4.783 -9.450 -6.781 233 HA VAL 29 HA VAL 29 6.169 -8.053 -4.474 234 HB VAL 29 HB VAL 29 4.501 -6.862 -6.789 235 HG11 VAL 29 HG11 VAL 29 5.006 -4.659 -5.732 236 HG12 VAL 29 HG12 VAL 29 4.054 -5.703 -4.677 237 HG13 VAL 29 HG13 VAL 29 5.806 -5.489 -4.383 238 HG21 VAL 29 HG21 VAL 29 6.809 -7.311 -7.483 239 HG22 VAL 29 HG22 VAL 29 7.404 -6.470 -6.005 240 HG23 VAL 29 HG23 VAL 29 6.576 -5.581 -7.312 241 H VAL 30 H VAL 30 4.811 -8.222 -2.684 242 HA VAL 30 HA VAL 30 1.899 -8.470 -3.330 243 HB VAL 30 HB VAL 30 1.534 -9.696 -1.214 244 HG11 VAL 30 HG11 VAL 30 2.380 -11.850 -2.011 245 HG12 VAL 30 HG12 VAL 30 3.804 -11.069 -2.754 246 HG13 VAL 30 HG13 VAL 30 2.171 -10.854 -3.437 247 HG21 VAL 30 HG21 VAL 30 3.381 -10.555 0.104 248 HG22 VAL 30 HG22 VAL 30 3.457 -8.821 0.035 249 HG23 VAL 30 HG23 VAL 30 4.523 -9.844 -0.995 250 H VAL 31 H VAL 31 0.593 -6.965 -2.329 251 HA VAL 31 HA VAL 31 2.007 -4.904 -0.666 252 HB VAL 31 HB VAL 31 0.560 -3.147 -1.726 253 HG11 VAL 31 HG11 VAL 31 1.679 -2.998 -3.894 254 HG12 VAL 31 HG12 VAL 31 2.320 -4.648 -3.692 255 HG13 VAL 31 HG13 VAL 31 2.786 -3.395 -2.577 256 HG21 VAL 31 HG21 VAL 31 -0.223 -5.330 -3.713 257 HG22 VAL 31 HG22 VAL 31 -0.650 -3.610 -3.737 258 HG23 VAL 31 HG23 VAL 31 -1.235 -4.655 -2.453 259 H GLY 32 H GLY 32 0.656 -3.686 0.751 260 HA2 GLY 32 HA2 GLY 32 -1.836 -5.132 1.458 261 HA3 GLY 32 HA3 GLY 32 -0.809 -4.266 2.621 262 H ILE 33 H ILE 33 -3.635 -3.979 0.916 263 HA ILE 33 HA ILE 33 -3.346 -1.006 0.705 264 HB ILE 33 HB ILE 33 -5.055 -2.832 -1.074 265 HG12 ILE 33 HG12 ILE 33 -2.733 -0.984 -1.833 266 HG13 ILE 33 HG13 ILE 33 -2.568 -2.702 -1.680 267 HG21 ILE 33 HG21 ILE 33 -4.783 0.251 -1.012 268 HG22 ILE 33 HG22 ILE 33 -6.190 -0.684 -0.495 269 HG23 ILE 33 HG23 ILE 33 -5.717 -0.665 -2.183 270 HD11 ILE 33 HD11 ILE 33 -2.794 -2.341 -3.967 271 HD12 ILE 33 HD12 ILE 33 -4.086 -1.102 -3.755 272 HD13 ILE 33 HD13 ILE 33 -4.433 -2.844 -3.487 273 H GLY 34 H GLY 34 -4.798 0.015 1.946 274 HA2 GLY 34 HA2 GLY 34 -6.049 -1.476 3.963 275 HA3 GLY 34 HA3 GLY 34 -6.330 0.217 3.605 276 H GLU 35 H GLU 35 -8.020 -1.849 4.581 277 HA GLU 35 HA GLU 35 -9.921 -2.603 2.626 278 HB2 GLU 35 HB2 GLU 35 -11.285 -3.268 4.491 279 HB3 GLU 35 HB3 GLU 35 -9.569 -3.677 4.752 280 HG2 GLU 35 HG2 GLU 35 -9.351 -1.673 6.196 281 HG3 GLU 35 HG3 GLU 35 -11.060 -1.408 5.990 282 H ARG 36 H ARG 36 -9.481 0.439 4.360 283 HA ARG 36 HA ARG 36 -11.956 1.500 3.054 284 HB2 ARG 36 HB2 ARG 36 -10.611 2.387 5.610 285 HB3 ARG 36 HB3 ARG 36 -11.922 3.242 4.819 286 HG2 ARG 36 HG2 ARG 36 -13.385 1.310 5.080 287 HG3 ARG 36 HG3 ARG 36 -12.067 0.431 5.879 288 HD2 ARG 36 HD2 ARG 36 -12.051 2.147 7.720 289 HD3 ARG 36 HD3 ARG 36 -13.374 2.978 6.879 290 HE ARG 36 HE ARG 36 -14.870 1.328 7.599 291 HH11 ARG 36 HH11 ARG 36 -15.456 -0.569 8.709 292 HH12 ARG 36 HH12 ARG 36 -14.230 -1.604 9.358 293 HH21 ARG 36 HH21 ARG 36 -11.563 0.262 8.273 294 HH22 ARG 36 HH22 ARG 36 -12.115 -1.186 9.066 295 H SER 37 H SER 37 -9.213 1.093 2.001 296 HA SER 37 HA SER 37 -7.775 3.589 2.051 297 HB2 SER 37 HB2 SER 37 -6.571 2.668 0.096 298 HB3 SER 37 HB3 SER 37 -6.725 1.470 1.345 299 HG SER 37 HG SER 37 -8.119 0.351 0.085 300 H ALA 38 H ALA 38 -7.615 5.136 0.318 301 HA ALA 38 HA ALA 38 -10.186 5.709 -0.981 302 HB1 ALA 38 HB1 ALA 38 -7.501 7.169 -0.897 303 HB2 ALA 38 HB2 ALA 38 -8.988 7.565 0.019 304 HB3 ALA 38 HB3 ALA 38 -8.918 7.758 -1.771 305 H MET 39 H MET 39 -8.634 3.298 -1.801 306 HA MET 39 HA MET 39 -7.954 4.003 -4.599 307 HB2 MET 39 HB2 MET 39 -6.628 2.031 -2.752 308 HB3 MET 39 HB3 MET 39 -6.213 2.231 -4.430 309 HG2 MET 39 HG2 MET 39 -5.493 4.549 -3.996 310 HG3 MET 39 HG3 MET 39 -6.013 4.374 -2.299 311 HE1 MET 39 HE1 MET 39 -2.428 2.223 -4.134 312 HE2 MET 39 HE2 MET 39 -4.096 1.760 -4.558 313 HE3 MET 39 HE3 MET 39 -3.451 3.360 -5.011 314 H ASP 40 H ASP 40 -8.880 2.724 -6.208 315 HA ASP 40 HA ASP 40 -10.617 0.482 -5.335 316 HB2 ASP 40 HB2 ASP 40 -9.917 1.674 -8.056 317 HB3 ASP 40 HB3 ASP 40 -10.835 0.220 -7.871 318 H LYS 41 H LYS 41 -10.068 -1.733 -5.452 319 HA LYS 41 HA LYS 41 -7.288 -2.429 -5.905 320 HB2 LYS 41 HB2 LYS 41 -9.782 -4.082 -5.637 321 HB3 LYS 41 HB3 LYS 41 -8.161 -4.753 -5.754 322 HG2 LYS 41 HG2 LYS 41 -7.503 -3.575 -3.681 323 HG3 LYS 41 HG3 LYS 41 -9.097 -2.813 -3.613 324 HD2 LYS 41 HD2 LYS 41 -9.038 -4.638 -2.040 325 HD3 LYS 41 HD3 LYS 41 -10.140 -5.040 -3.380 326 HE2 LYS 41 HE2 LYS 41 -8.405 -6.503 -4.343 327 HE3 LYS 41 HE3 LYS 41 -7.302 -6.065 -3.031 328 HZ1 LYS 41 HZ1 LYS 41 -8.940 -6.966 -1.454 329 HZ2 LYS 41 HZ2 LYS 41 -8.449 -8.143 -2.518 330 HZ3 LYS 41 HZ3 LYS 41 -9.949 -7.421 -2.694 331 H SER 42 H SER 42 -10.184 -2.457 -7.885 332 HA SER 42 HA SER 42 -9.054 -4.128 -9.938 333 HB2 SER 42 HB2 SER 42 -11.471 -3.831 -9.640 334 HB3 SER 42 HB3 SER 42 -11.301 -2.153 -10.206 335 HG SER 42 HG SER 42 -10.544 -4.378 -11.726 336 H LEU 43 H LEU 43 -9.210 -0.636 -9.425 337 HA LEU 43 HA LEU 43 -7.988 -0.080 -11.987 338 HB2 LEU 43 HB2 LEU 43 -8.223 1.688 -9.571 339 HB3 LEU 43 HB3 LEU 43 -7.677 2.207 -11.129 340 HG LEU 43 HG LEU 43 -10.427 1.202 -10.553 341 HD11 LEU 43 HD11 LEU 43 -9.942 3.372 -9.500 342 HD12 LEU 43 HD12 LEU 43 -11.174 3.463 -10.758 343 HD13 LEU 43 HD13 LEU 43 -9.479 4.008 -11.112 344 HD21 LEU 43 HD21 LEU 43 -9.996 0.754 -12.870 345 HD22 LEU 43 HD22 LEU 43 -10.928 2.221 -12.839 346 HD23 LEU 43 HD23 LEU 43 -9.141 2.325 -13.080 347 H PHE 44 H PHE 44 -6.866 -0.771 -8.763 348 HA PHE 44 HA PHE 44 -4.225 0.303 -9.128 349 HB2 PHE 44 HB2 PHE 44 -5.241 -0.217 -6.930 350 HB3 PHE 44 HB3 PHE 44 -5.202 -1.908 -7.295 351 HD1 PHE 44 HD1 PHE 44 -3.095 -3.198 -7.177 352 HD2 PHE 44 HD2 PHE 44 -3.163 1.021 -6.590 353 HE1 PHE 44 HE1 PHE 44 -0.862 -3.304 -6.184 354 HE2 PHE 44 HE2 PHE 44 -0.867 0.911 -5.555 355 HZ PHE 44 HZ PHE 44 0.304 -1.238 -5.432 356 H VAL 45 H VAL 45 -5.685 -2.965 -9.582 357 HA VAL 45 HA VAL 45 -3.087 -4.030 -10.260 358 HB VAL 45 HB VAL 45 -4.214 -6.065 -11.078 359 HG11 VAL 45 HG11 VAL 45 -5.396 -6.695 -8.958 360 HG12 VAL 45 HG12 VAL 45 -5.347 -5.009 -8.454 361 HG13 VAL 45 HG13 VAL 45 -3.822 -5.866 -8.658 362 HG21 VAL 45 HG21 VAL 45 -6.175 -4.922 -12.103 363 HG22 VAL 45 HG22 VAL 45 -6.600 -6.308 -11.064 364 HG23 VAL 45 HG23 VAL 45 -6.864 -4.662 -10.483 365 H SER 46 H SER 46 -5.575 -2.261 -12.011 366 HA SER 46 HA SER 46 -4.688 -3.157 -14.653 367 HB2 SER 46 HB2 SER 46 -6.148 -0.640 -13.695 368 HB3 SER 46 HB3 SER 46 -5.951 -1.141 -15.403 369 HG SER 46 HG SER 46 -7.447 -2.390 -13.324 370 H ALA 47 H ALA 47 -3.994 -0.496 -12.403 371 HA ALA 47 HA ALA 47 -2.232 0.905 -14.157 372 HB1 ALA 47 HB1 ALA 47 -3.332 1.971 -12.286 373 HB2 ALA 47 HB2 ALA 47 -2.433 0.949 -11.149 374 HB3 ALA 47 HB3 ALA 47 -1.590 2.128 -12.156 375 H PHE 48 H PHE 48 -1.687 -1.754 -11.872 376 HA PHE 48 HA PHE 48 1.161 -1.498 -11.834 377 HB2 PHE 48 HB2 PHE 48 -0.207 -2.847 -10.218 378 HB3 PHE 48 HB3 PHE 48 -0.446 -4.061 -11.496 379 HD1 PHE 48 HD1 PHE 48 1.990 -2.475 -9.278 380 HD2 PHE 48 HD2 PHE 48 1.331 -5.604 -12.155 381 HE1 PHE 48 HE1 PHE 48 4.135 -3.528 -8.597 382 HE2 PHE 48 HE2 PHE 48 3.461 -6.650 -11.482 383 HZ PHE 48 HZ PHE 48 4.912 -5.619 -9.729 384 H GLU 49 H GLU 49 -1.042 -3.251 -13.939 385 HA GLU 49 HA GLU 49 1.069 -4.529 -15.424 386 HB2 GLU 49 HB2 GLU 49 -1.775 -3.944 -16.215 387 HB3 GLU 49 HB3 GLU 49 -0.673 -4.937 -17.099 388 HG2 GLU 49 HG2 GLU 49 -0.535 -6.490 -15.174 389 HG3 GLU 49 HG3 GLU 49 -1.698 -5.489 -14.317 390 H THR 50 H THR 50 -0.654 -1.465 -15.602 391 HA THR 50 HA THR 50 0.330 -0.778 -18.170 392 HB THR 50 HB THR 50 -0.612 1.101 -15.980 393 HG1 THR 50 HG1 THR 50 -2.179 -0.417 -16.480 394 HG21 THR 50 HG21 THR 50 0.351 2.479 -17.528 395 HG22 THR 50 HG22 THR 50 -1.394 2.428 -17.963 396 HG23 THR 50 HG23 THR 50 -0.214 1.455 -18.936 397 H PHE 51 H PHE 51 1.522 0.055 -14.946 398 HA PHE 51 HA PHE 51 3.757 1.567 -16.065 399 HB2 PHE 51 HB2 PHE 51 3.041 0.861 -13.250 400 HB3 PHE 51 HB3 PHE 51 4.448 1.792 -13.737 401 HD1 PHE 51 HD1 PHE 51 0.925 2.043 -13.035 402 HD2 PHE 51 HD2 PHE 51 4.330 3.983 -14.884 403 HE1 PHE 51 HE1 PHE 51 -0.255 4.162 -12.959 404 HE2 PHE 51 HE2 PHE 51 3.041 6.129 -14.904 405 HZ PHE 51 HZ PHE 51 0.712 6.222 -13.959 406 H ARG 52 H ARG 52 3.413 -1.800 -14.959 407 HA ARG 52 HA ARG 52 6.130 -1.951 -14.011 408 HB2 ARG 52 HB2 ARG 52 5.882 -4.280 -14.017 409 HB3 ARG 52 HB3 ARG 52 4.338 -3.578 -13.492 410 HG2 ARG 52 HG2 ARG 52 3.472 -4.036 -15.800 411 HG3 ARG 52 HG3 ARG 52 5.016 -4.817 -16.223 412 HD2 ARG 52 HD2 ARG 52 4.599 -6.484 -14.411 413 HD3 ARG 52 HD3 ARG 52 3.012 -5.701 -14.086 414 HE ARG 52 HE ARG 52 3.226 -6.308 -16.868 415 HH11 ARG 52 HH11 ARG 52 2.904 -8.146 -13.832 416 HH12 ARG 52 HH12 ARG 52 1.977 -9.376 -14.601 417 HH21 ARG 52 HH21 ARG 52 2.031 -7.880 -17.749 418 HH22 ARG 52 HH22 ARG 52 1.385 -9.167 -16.747 419 H GLU 53 H GLU 53 4.873 -1.982 -17.246 420 HA GLU 53 HA GLU 53 7.073 -3.424 -18.467 421 HB2 GLU 53 HB2 GLU 53 6.110 -2.641 -20.532 422 HB3 GLU 53 HB3 GLU 53 4.824 -3.053 -19.429 423 HG2 GLU 53 HG2 GLU 53 4.480 -0.668 -18.995 424 HG3 GLU 53 HG3 GLU 53 5.739 -0.314 -20.137 425 H GLU 54 H GLU 54 6.640 -0.187 -17.314 426 HA GLU 54 HA GLU 54 8.569 1.138 -18.952 427 HB2 GLU 54 HB2 GLU 54 7.508 1.768 -16.220 428 HB3 GLU 54 HB3 GLU 54 8.436 2.905 -17.192 429 HG2 GLU 54 HG2 GLU 54 5.813 1.736 -18.003 430 HG3 GLU 54 HG3 GLU 54 6.043 3.336 -17.358 431 H SER 55 H SER 55 8.998 -1.041 -16.278 432 HA SER 55 HA SER 55 11.942 -0.365 -16.402 433 HB2 SER 55 HB2 SER 55 10.969 0.731 -14.329 434 HB3 SER 55 HB3 SER 55 10.373 -0.856 -13.795 435 HG SER 55 HG SER 55 12.580 0.041 -13.106 436 H LEU 56 H LEU 56 13.269 -2.017 -16.447 437 HA LEU 56 HA LEU 56 12.365 -4.673 -17.007 438 HB2 LEU 56 HB2 LEU 56 14.439 -3.523 -17.711 439 HB3 LEU 56 HB3 LEU 56 15.081 -3.690 -16.090 440 HG LEU 56 HG LEU 56 16.065 -5.199 -17.686 441 HD11 LEU 56 HD11 LEU 56 14.518 -6.884 -15.717 442 HD12 LEU 56 HD12 LEU 56 15.920 -5.913 -15.295 443 HD13 LEU 56 HD13 LEU 56 16.071 -7.261 -16.462 444 HD21 LEU 56 HD21 LEU 56 14.841 -7.086 -18.702 445 HD22 LEU 56 HD22 LEU 56 13.337 -6.568 -17.870 446 HD23 LEU 56 HD23 LEU 56 14.052 -5.545 -19.121 447 H VAL 57 H VAL 57 13.326 -3.062 -14.053 448 HA VAL 57 HA VAL 57 13.819 -5.321 -12.374 449 HB VAL 57 HB VAL 57 12.664 -2.608 -11.732 450 HG11 VAL 57 HG11 VAL 57 14.113 -4.615 -9.895 451 HG12 VAL 57 HG12 VAL 57 13.596 -2.977 -9.401 452 HG13 VAL 57 HG13 VAL 57 12.407 -4.233 -9.824 453 HG21 VAL 57 HG21 VAL 57 14.849 -2.421 -12.896 454 HG22 VAL 57 HG22 VAL 57 14.952 -1.964 -11.179 455 HG23 VAL 57 HG23 VAL 57 15.550 -3.556 -11.705 456 H CYS 58 H CYS 58 10.773 -3.786 -13.448 457 HA CYS 58 HA CYS 58 9.324 -5.643 -11.606 458 HB2 CYS 58 HB2 CYS 58 9.216 -3.122 -11.264 459 HB3 CYS 58 HB3 CYS 58 8.319 -3.045 -12.803 460 HG CYS 58 HG CYS 58 6.508 -4.787 -11.967 461 H LYS 59 H LYS 59 9.979 -5.554 -14.960 462 HA LYS 59 HA LYS 59 7.419 -5.544 -16.134 463 HB2 LYS 59 HB2 LYS 59 9.800 -7.192 -17.019 464 HB3 LYS 59 HB3 LYS 59 8.359 -6.908 -17.981 465 HG2 LYS 59 HG2 LYS 59 8.746 -4.538 -18.002 466 HG3 LYS 59 HG3 LYS 59 10.206 -4.768 -17.127 467 HD2 LYS 59 HD2 LYS 59 11.118 -6.214 -18.895 468 HD3 LYS 59 HD3 LYS 59 9.652 -5.941 -19.826 469 HE2 LYS 59 HE2 LYS 59 10.053 -3.533 -19.749 470 HE3 LYS 59 HE3 LYS 59 11.591 -3.866 -18.888 471 HZ1 LYS 59 HZ1 LYS 59 12.022 -3.603 -21.221 472 HZ2 LYS 59 HZ2 LYS 59 10.864 -4.728 -21.626 473 HZ3 LYS 59 HZ3 LYS 59 12.278 -5.198 -20.832 474 H ASP 60 H ASP 60 9.004 -8.492 -14.763 475 HA ASP 60 HA ASP 60 6.577 -9.968 -15.585 476 HB2 ASP 60 HB2 ASP 60 9.232 -10.893 -14.526 477 HB3 ASP 60 HB3 ASP 60 7.875 -11.982 -14.912 478 H ALA 61 H ALA 61 7.180 -8.147 -13.028 479 HA ALA 61 HA ALA 61 6.943 -9.971 -10.867 480 HB1 ALA 61 HB1 ALA 61 6.351 -8.003 -9.504 481 HB2 ALA 61 HB2 ALA 61 7.754 -7.669 -10.480 482 HB3 ALA 61 HB3 ALA 61 6.190 -7.028 -10.994 483 H ILE 62 H ILE 62 5.280 -10.607 -9.644 484 HA ILE 62 HA ILE 62 2.590 -10.463 -10.900 485 HB ILE 62 HB ILE 62 3.704 -12.343 -8.776 486 HG12 ILE 62 HG12 ILE 62 3.041 -13.047 -11.641 487 HG13 ILE 62 HG13 ILE 62 4.687 -12.683 -11.015 488 HG21 ILE 62 HG21 ILE 62 1.038 -12.596 -10.278 489 HG22 ILE 62 HG22 ILE 62 1.647 -13.551 -8.880 490 HG23 ILE 62 HG23 ILE 62 1.195 -11.894 -8.638 491 HD11 ILE 62 HD11 ILE 62 4.413 -14.554 -9.386 492 HD12 ILE 62 HD12 ILE 62 4.550 -15.011 -11.060 493 HD13 ILE 62 HD13 ILE 62 2.925 -15.051 -10.253 494 H LEU 63 H LEU 63 1.138 -9.183 -9.938 495 HA LEU 63 HA LEU 63 1.864 -8.031 -7.331 496 HB2 LEU 63 HB2 LEU 63 1.452 -6.553 -9.203 497 HB3 LEU 63 HB3 LEU 63 -0.165 -7.184 -9.387 498 HG LEU 63 HG LEU 63 -0.027 -4.938 -8.430 499 HD11 LEU 63 HD11 LEU 63 -1.769 -5.177 -6.915 500 HD12 LEU 63 HD12 LEU 63 -1.141 -6.689 -6.256 501 HD13 LEU 63 HD13 LEU 63 -1.865 -6.633 -7.841 502 HD21 LEU 63 HD21 LEU 63 2.136 -5.587 -7.101 503 HD22 LEU 63 HD22 LEU 63 1.034 -4.363 -6.443 504 HD23 LEU 63 HD23 LEU 63 0.999 -6.060 -5.833 505 H ASP 64 H ASP 64 0.736 -8.583 -5.512 506 HA ASP 64 HA ASP 64 -1.977 -9.855 -5.798 507 HB2 ASP 64 HB2 ASP 64 -0.113 -11.531 -5.402 508 HB3 ASP 64 HB3 ASP 64 0.180 -10.687 -3.821 509 H ILE 65 H ILE 65 -3.388 -8.620 -4.661 510 HA ILE 65 HA ILE 65 -2.408 -6.687 -2.638 511 HB ILE 65 HB ILE 65 -5.228 -7.080 -3.781 512 HG12 ILE 65 HG12 ILE 65 -3.194 -4.900 -4.462 513 HG13 ILE 65 HG13 ILE 65 -3.474 -6.361 -5.443 514 HG21 ILE 65 HG21 ILE 65 -3.985 -4.911 -2.049 515 HG22 ILE 65 HG22 ILE 65 -5.356 -5.952 -1.584 516 HG23 ILE 65 HG23 ILE 65 -5.538 -4.701 -2.805 517 HD11 ILE 65 HD11 ILE 65 -5.781 -5.757 -5.818 518 HD12 ILE 65 HD12 ILE 65 -5.531 -4.265 -4.880 519 HD13 ILE 65 HD13 ILE 65 -4.660 -4.554 -6.388 520 H VAL 66 H VAL 66 -2.612 -6.887 -0.557 521 HA VAL 66 HA VAL 66 -4.429 -9.011 0.585 522 HB VAL 66 HB VAL 66 -1.887 -7.712 1.792 523 HG11 VAL 66 HG11 VAL 66 -3.483 -8.195 3.553 524 HG12 VAL 66 HG12 VAL 66 -2.209 -9.420 3.580 525 HG13 VAL 66 HG13 VAL 66 -3.806 -9.815 2.905 526 HG21 VAL 66 HG21 VAL 66 -2.382 -10.517 0.677 527 HG22 VAL 66 HG22 VAL 66 -0.954 -10.013 1.658 528 HG23 VAL 66 HG23 VAL 66 -1.229 -9.285 0.060 529 H ASP 67 H ASP 67 -6.248 -8.112 1.576 530 HA ASP 67 HA ASP 67 -6.373 -5.213 1.834 531 HB2 ASP 67 HB2 ASP 67 -8.149 -7.427 2.913 532 HB3 ASP 67 HB3 ASP 67 -8.525 -5.711 3.092 533 H GLU 68 H GLU 68 -6.073 -3.970 3.714 534 HA GLU 68 HA GLU 68 -5.429 -5.531 6.197 535 HB2 GLU 68 HB2 GLU 68 -3.905 -3.106 5.226 536 HB3 GLU 68 HB3 GLU 68 -3.702 -3.959 6.746 537 HG2 GLU 68 HG2 GLU 68 -3.211 -6.029 5.525 538 HG3 GLU 68 HG3 GLU 68 -3.181 -5.151 4.002 539 H LYS 69 H LYS 69 -5.858 -4.708 8.133 540 HA LYS 69 HA LYS 69 -8.181 -3.031 8.388 541 HB2 LYS 69 HB2 LYS 69 -6.299 -4.392 10.326 542 HB3 LYS 69 HB3 LYS 69 -7.458 -3.189 10.852 543 HG2 LYS 69 HG2 LYS 69 -8.485 -5.375 11.183 544 HG3 LYS 69 HG3 LYS 69 -9.339 -4.518 9.882 545 HD2 LYS 69 HD2 LYS 69 -8.086 -5.858 8.197 546 HD3 LYS 69 HD3 LYS 69 -7.281 -6.736 9.520 547 HE2 LYS 69 HE2 LYS 69 -9.586 -7.443 10.382 548 HE3 LYS 69 HE3 LYS 69 -10.306 -6.566 9.005 549 HZ1 LYS 69 HZ1 LYS 69 -8.508 -8.905 8.810 550 HZ2 LYS 69 HZ2 LYS 69 -8.928 -7.985 7.526 551 HZ3 LYS 69 HZ3 LYS 69 -10.074 -8.833 8.346 552 H VAL 70 H VAL 70 -8.388 -1.101 9.203 553 HA VAL 70 HA VAL 70 -6.341 0.820 8.769 554 HB VAL 70 HB VAL 70 -8.022 2.522 9.230 555 HG11 VAL 70 HG11 VAL 70 -7.903 1.543 7.036 556 HG12 VAL 70 HG12 VAL 70 -9.045 0.240 7.495 557 HG13 VAL 70 HG13 VAL 70 -9.587 1.919 7.448 558 HG21 VAL 70 HG21 VAL 70 -9.235 1.345 11.068 559 HG22 VAL 70 HG22 VAL 70 -9.853 0.157 9.906 560 HG23 VAL 70 HG23 VAL 70 -10.366 1.834 9.803 561 H GLU 71 H GLU 71 -5.686 2.565 10.097 562 HA GLU 71 HA GLU 71 -5.845 2.187 13.083 563 HB2 GLU 71 HB2 GLU 71 -3.551 1.711 12.288 564 HB3 GLU 71 HB3 GLU 71 -3.495 3.250 11.464 565 HG2 GLU 71 HG2 GLU 71 -3.668 4.395 13.578 566 HG3 GLU 71 HG3 GLU 71 -3.710 2.864 14.415 567 H LEU 72 H LEU 72 -6.235 4.198 14.079 568 HA LEU 72 HA LEU 72 -6.920 6.388 12.156 569 HB2 LEU 72 HB2 LEU 72 -8.416 5.596 14.637 570 HB3 LEU 72 HB3 LEU 72 -8.769 7.016 13.639 571 HG LEU 72 HG LEU 72 -9.049 4.138 12.692 572 HD11 LEU 72 HD11 LEU 72 -11.181 6.136 13.599 573 HD12 LEU 72 HD12 LEU 72 -11.476 4.602 12.870 574 HD13 LEU 72 HD13 LEU 72 -10.742 4.661 14.432 575 HD21 LEU 72 HD21 LEU 72 -9.859 6.825 11.471 576 HD22 LEU 72 HD22 LEU 72 -10.295 5.212 10.756 577 HD23 LEU 72 HD23 LEU 72 -8.588 5.729 10.881 578 H GLU 73 H GLU 73 -6.579 8.375 12.707 579 HA GLU 73 HA GLU 73 -5.239 8.989 15.332 580 HB2 GLU 73 HB2 GLU 73 -3.568 8.996 13.456 581 HB3 GLU 73 HB3 GLU 73 -4.659 10.069 12.528 582 HG2 GLU 73 HG2 GLU 73 -4.351 11.860 14.213 583 HG3 GLU 73 HG3 GLU 73 -3.185 10.846 15.061 584 H CYS 74 H CYS 74 -6.002 10.868 16.187 585 HA CYS 74 HA CYS 74 -8.409 12.044 14.876 586 HB2 CYS 74 HB2 CYS 74 -8.598 10.994 17.200 587 HB3 CYS 74 HB3 CYS 74 -7.359 12.128 17.775 588 H LYS 75 H LYS 75 -8.332 14.239 14.415 589 HA LYS 75 HA LYS 75 -5.762 15.489 14.105 590 HB2 LYS 75 HB2 LYS 75 -8.551 16.709 14.073 591 HB3 LYS 75 HB3 LYS 75 -7.064 17.573 13.654 592 HG2 LYS 75 HG2 LYS 75 -6.573 15.788 11.917 593 HG3 LYS 75 HG3 LYS 75 -8.149 15.100 12.260 594 HD2 LYS 75 HD2 LYS 75 -8.456 16.409 10.351 595 HD3 LYS 75 HD3 LYS 75 -9.163 17.375 11.663 596 HE2 LYS 75 HE2 LYS 75 -7.071 18.687 11.854 597 HE3 LYS 75 HE3 LYS 75 -6.378 17.726 10.530 598 HZ1 LYS 75 HZ1 LYS 75 -7.240 19.706 9.566 599 HZ2 LYS 75 HZ2 LYS 75 -8.722 19.513 10.313 600 HZ3 LYS 75 HZ3 LYS 75 -8.240 18.450 9.113 601 H ASP 76 H ASP 76 -4.970 17.204 15.460 602 HA ASP 76 HA ASP 76 -4.340 15.939 17.683 603 HB2 ASP 76 HB2 ASP 76 -3.294 17.817 18.597 604 HB3 ASP 76 HB3 ASP 76 -3.003 17.580 16.882 605 H CYS 77 H CYS 77 -5.268 14.889 18.618 606 HA CYS 77 HA CYS 77 -6.361 15.528 21.313 607 HB2 CYS 77 HB2 CYS 77 -8.434 15.149 19.959 608 HB3 CYS 77 HB3 CYS 77 -7.581 13.893 19.066 609 H SER 78 H SER 78 -4.442 14.150 22.315 610 HA SER 78 HA SER 78 -2.991 12.556 20.309 611 HB2 SER 78 HB2 SER 78 -1.791 13.787 22.029 612 HB3 SER 78 HB3 SER 78 -2.576 12.721 23.273 613 HG SER 78 HG SER 78 -0.483 12.000 22.734 614 H HIS 79 H HIS 79 -4.033 10.824 19.561 615 HA HIS 79 HA HIS 79 -4.636 8.823 21.495 616 HB2 HIS 79 HB2 HIS 79 -6.629 10.387 21.156 617 HB3 HIS 79 HB3 HIS 79 -6.958 9.289 19.782 618 HD1 HIS 79 HD1 HIS 79 -5.979 9.103 23.610 619 HD2 HIS 79 HD2 HIS 79 -8.214 7.009 20.735 620 HE1 HIS 79 HE1 HIS 79 -7.000 7.090 24.793 621 HE2 HIS 79 HE2 HIS 79 -8.352 5.819 23.068 622 H VAL 80 H VAL 80 -2.751 8.412 19.111 623 HA VAL 80 HA VAL 80 -4.524 7.211 17.160 624 HB VAL 80 HB VAL 80 -1.459 6.957 17.496 625 HG11 VAL 80 HG11 VAL 80 -2.320 5.243 15.967 626 HG12 VAL 80 HG12 VAL 80 -1.415 6.480 15.091 627 HG13 VAL 80 HG13 VAL 80 -3.204 6.514 15.076 628 HG21 VAL 80 HG21 VAL 80 -1.482 8.773 15.711 629 HG22 VAL 80 HG22 VAL 80 -1.951 9.288 17.337 630 HG23 VAL 80 HG23 VAL 80 -3.195 8.979 16.129 631 H PHE 81 H PHE 81 -5.193 5.299 16.827 632 HA PHE 81 HA PHE 81 -4.330 2.913 18.352 633 HB2 PHE 81 HB2 PHE 81 -6.479 2.730 19.429 634 HB3 PHE 81 HB3 PHE 81 -5.900 4.362 19.735 635 HD1 PHE 81 HD1 PHE 81 -8.647 2.386 18.640 636 HD2 PHE 81 HD2 PHE 81 -6.814 6.211 17.913 637 HE1 PHE 81 HE1 PHE 81 -10.792 3.252 17.740 638 HE2 PHE 81 HE2 PHE 81 -8.972 7.104 17.042 639 HZ PHE 81 HZ PHE 81 -11.003 5.611 16.947 640 H LYS 82 H LYS 82 -5.864 1.063 17.854 641 HA LYS 82 HA LYS 82 -6.808 1.311 14.995 642 HB2 LYS 82 HB2 LYS 82 -5.961 -1.237 16.486 643 HB3 LYS 82 HB3 LYS 82 -6.785 -1.215 14.957 644 HG2 LYS 82 HG2 LYS 82 -4.540 -1.616 14.390 645 HG3 LYS 82 HG3 LYS 82 -4.862 0.062 13.972 646 HD2 LYS 82 HD2 LYS 82 -3.711 0.762 16.072 647 HD3 LYS 82 HD3 LYS 82 -3.398 -0.954 16.428 648 HE2 LYS 82 HE2 LYS 82 -2.147 -1.151 14.267 649 HE3 LYS 82 HE3 LYS 82 -2.439 0.575 13.973 650 HZ1 LYS 82 HZ1 LYS 82 -1.311 0.977 16.151 651 HZ2 LYS 82 HZ2 LYS 82 -0.329 0.448 14.919 652 HZ3 LYS 82 HZ3 LYS 82 -0.788 -0.612 16.094 653 HA PRO 83 HA PRO 83 -10.686 0.998 17.106 654 HB2 PRO 83 HB2 PRO 83 -12.428 0.980 15.017 655 HB3 PRO 83 HB3 PRO 83 -11.529 2.428 15.492 656 HG2 PRO 83 HG2 PRO 83 -10.827 0.443 13.354 657 HG3 PRO 83 HG3 PRO 83 -10.925 2.230 13.208 658 HD2 PRO 83 HD2 PRO 83 -8.559 0.968 13.602 659 HD3 PRO 83 HD3 PRO 83 -8.894 2.545 14.412 660 H ASN 84 H ASN 84 -12.139 -0.715 17.704 661 HA ASN 84 HA ASN 84 -11.765 -3.345 16.288 662 HB2 ASN 84 HB2 ASN 84 -12.227 -2.743 19.227 663 HB3 ASN 84 HB3 ASN 84 -12.172 -4.370 18.515 664 HD21 ASN 84 HD21 ASN 84 -10.047 -4.420 16.891 665 HD22 ASN 84 HD22 ASN 84 -8.564 -4.105 17.760 666 H ALA 85 H ALA 85 -13.869 -0.924 16.449 667 HA ALA 85 HA ALA 85 -16.225 -2.684 16.497 668 HB1 ALA 85 HB1 ALA 85 -15.884 -0.195 18.218 669 HB2 ALA 85 HB2 ALA 85 -16.053 -1.893 18.757 670 HB3 ALA 85 HB3 ALA 85 -17.425 -1.118 17.970 671 H LEU 86 H LEU 86 -18.199 -1.304 15.949 672 HA LEU 86 HA LEU 86 -17.740 -0.165 13.367 673 HB2 LEU 86 HB2 LEU 86 -20.198 -0.140 15.066 674 HB3 LEU 86 HB3 LEU 86 -20.111 0.239 13.344 675 HG LEU 86 HG LEU 86 -19.364 -2.461 14.547 676 HD11 LEU 86 HD11 LEU 86 -21.757 -2.044 14.823 677 HD12 LEU 86 HD12 LEU 86 -21.518 -3.238 13.499 678 HD13 LEU 86 HD13 LEU 86 -21.894 -1.571 13.107 679 HD21 LEU 86 HD21 LEU 86 -18.228 -2.051 12.433 680 HD22 LEU 86 HD22 LEU 86 -19.761 -1.679 11.669 681 HD23 LEU 86 HD23 LEU 86 -19.478 -3.318 12.262 682 H ASP 87 H ASP 87 -16.865 1.264 16.043 683 HA ASP 87 HA ASP 87 -17.997 3.929 15.715 684 HB2 ASP 87 HB2 ASP 87 -16.636 4.562 17.607 685 HB3 ASP 87 HB3 ASP 87 -17.487 3.054 17.929 686 H TYR 88 H TYR 88 -16.400 2.521 13.554 687 HA TYR 88 HA TYR 88 -13.972 3.896 13.123 688 HB2 TYR 88 HB2 TYR 88 -16.019 2.930 11.086 689 HB3 TYR 88 HB3 TYR 88 -14.377 3.424 10.722 690 HD1 TYR 88 HD1 TYR 88 -12.483 2.000 11.434 691 HD2 TYR 88 HD2 TYR 88 -16.528 0.763 11.867 692 HE1 TYR 88 HE1 TYR 88 -11.724 -0.403 11.789 693 HE2 TYR 88 HE2 TYR 88 -15.804 -1.582 12.277 694 HH TYR 88 HH TYR 88 -14.045 -3.006 12.536 695 H GLY 89 H GLY 89 -13.520 5.886 12.118 696 HA2 GLY 89 HA2 GLY 89 -13.975 7.819 10.913 697 HA3 GLY 89 HA3 GLY 89 -15.706 7.482 11.017 698 H VAL 90 H VAL 90 -14.493 7.140 14.076 699 HA VAL 90 HA VAL 90 -14.347 10.026 14.718 700 HB VAL 90 HB VAL 90 -15.805 9.713 16.719 701 HG11 VAL 90 HG11 VAL 90 -17.906 9.952 15.661 702 HG12 VAL 90 HG12 VAL 90 -17.389 8.942 14.258 703 HG13 VAL 90 HG13 VAL 90 -16.710 10.590 14.482 704 HG21 VAL 90 HG21 VAL 90 -16.655 7.087 15.502 705 HG22 VAL 90 HG22 VAL 90 -15.545 7.257 16.899 706 HG23 VAL 90 HG23 VAL 90 -17.235 7.842 17.046 707 H CYS 91 H CYS 91 -13.364 10.260 16.890 708 HA CYS 91 HA CYS 91 -11.126 8.366 17.244 709 HB2 CYS 91 HB2 CYS 91 -11.039 10.940 17.582 710 HB3 CYS 91 HB3 CYS 91 -12.200 10.708 18.925 711 H GLU 92 H GLU 92 -10.802 7.443 19.489 712 HA GLU 92 HA GLU 92 -13.380 6.497 20.596 713 HB2 GLU 92 HB2 GLU 92 -12.340 4.717 21.621 714 HB3 GLU 92 HB3 GLU 92 -11.856 4.748 19.927 715 HG2 GLU 92 HG2 GLU 92 -9.737 5.794 20.609 716 HG3 GLU 92 HG3 GLU 92 -10.226 5.618 22.278 717 H LYS 93 H LYS 93 -10.844 8.651 21.269 718 HA LYS 93 HA LYS 93 -10.989 8.686 24.184 719 HB2 LYS 93 HB2 LYS 93 -9.050 9.444 22.813 720 HB3 LYS 93 HB3 LYS 93 -10.014 10.732 22.218 721 HG2 LYS 93 HG2 LYS 93 -8.596 11.635 23.846 722 HG3 LYS 93 HG3 LYS 93 -10.228 11.598 24.526 723 HD2 LYS 93 HD2 LYS 93 -9.595 9.528 25.748 724 HD3 LYS 93 HD3 LYS 93 -7.973 9.657 25.016 725 HE2 LYS 93 HE2 LYS 93 -7.766 11.871 26.047 726 HE3 LYS 93 HE3 LYS 93 -9.322 11.662 26.831 727 HZ1 LYS 93 HZ1 LYS 93 -6.906 10.013 27.297 728 HZ2 LYS 93 HZ2 LYS 93 -8.381 9.764 28.013 729 HZ3 LYS 93 HZ3 LYS 93 -7.529 11.139 28.338 730 H CYS 94 H CYS 94 -12.359 10.291 21.514 731 HA CYS 94 HA CYS 94 -14.454 11.700 23.059 732 HB2 CYS 94 HB2 CYS 94 -14.011 13.756 21.655 733 HB3 CYS 94 HB3 CYS 94 -12.582 13.344 22.629 734 H HIS 95 H HIS 95 -16.157 12.114 21.141 735 HA HIS 95 HA HIS 95 -15.652 10.008 19.021 736 HB2 HIS 95 HB2 HIS 95 -18.317 10.831 20.275 737 HB3 HIS 95 HB3 HIS 95 -18.125 9.760 18.872 738 HD1 HIS 95 HD1 HIS 95 -19.472 8.737 21.528 739 HD2 HIS 95 HD2 HIS 95 -15.418 8.321 20.501 740 HE1 HIS 95 HE1 HIS 95 -18.595 6.694 22.849 741 HE2 HIS 95 HE2 HIS 95 -16.148 6.442 22.153 742 H SER 96 H SER 96 -14.661 12.526 18.958 743 HA SER 96 HA SER 96 -16.456 14.302 17.495 744 HB2 SER 96 HB2 SER 96 -14.629 15.148 18.906 745 HB3 SER 96 HB3 SER 96 -13.449 14.328 17.871 746 HG SER 96 HG SER 96 -13.987 15.694 16.188 747 H LYS 97 H LYS 97 -16.566 14.636 15.308 748 HA LYS 97 HA LYS 97 -15.387 12.576 13.513 749 HB2 LYS 97 HB2 LYS 97 -17.072 15.109 12.947 750 HB3 LYS 97 HB3 LYS 97 -16.523 13.850 11.798 751 HG2 LYS 97 HG2 LYS 97 -17.782 12.125 13.117 752 HG3 LYS 97 HG3 LYS 97 -18.387 13.461 14.155 753 HD2 LYS 97 HD2 LYS 97 -20.094 13.033 12.594 754 HD3 LYS 97 HD3 LYS 97 -19.318 14.527 12.072 755 HE2 LYS 97 HE2 LYS 97 -18.047 13.212 10.335 756 HE3 LYS 97 HE3 LYS 97 -18.870 11.726 10.945 757 HZ1 LYS 97 HZ1 LYS 97 -20.030 12.521 9.046 758 HZ2 LYS 97 HZ2 LYS 97 -20.970 12.827 10.356 759 HZ3 LYS 97 HZ3 LYS 97 -20.131 14.044 9.628 760 H ASN 98 H ASN 98 -14.062 13.440 11.662 761 HA ASN 98 HA ASN 98 -12.368 14.688 10.703 762 HB2 ASN 98 HB2 ASN 98 -12.118 16.434 13.186 763 HB3 ASN 98 HB3 ASN 98 -11.220 16.585 11.722 764 HD21 ASN 98 HD21 ASN 98 -13.407 18.187 13.197 765 HD22 ASN 98 HD22 ASN 98 -14.421 18.700 11.861 766 H VAL 99 H VAL 99 -12.047 12.328 11.487 767 HA VAL 99 HA VAL 99 -9.383 12.323 12.855 768 HB VAL 99 HB VAL 99 -9.783 9.906 13.304 769 HG11 VAL 99 HG11 VAL 99 -11.187 10.156 15.167 770 HG12 VAL 99 HG12 VAL 99 -10.490 11.774 14.950 771 HG13 VAL 99 HG13 VAL 99 -12.139 11.461 14.373 772 HG21 VAL 99 HG21 VAL 99 -11.363 9.442 11.448 773 HG22 VAL 99 HG22 VAL 99 -11.956 8.890 13.019 774 HG23 VAL 99 HG23 VAL 99 -12.626 10.343 12.289 775 H ILE 100 H ILE 100 -7.993 10.711 11.714 776 HA ILE 100 HA ILE 100 -8.788 10.347 8.859 777 HB ILE 100 HB ILE 100 -6.484 10.973 8.155 778 HG12 ILE 100 HG12 ILE 100 -6.018 11.836 11.003 779 HG13 ILE 100 HG13 ILE 100 -5.406 10.305 10.344 780 HG21 ILE 100 HG21 ILE 100 -8.324 12.744 8.389 781 HG22 ILE 100 HG22 ILE 100 -6.676 13.407 8.422 782 HG23 ILE 100 HG23 ILE 100 -7.597 13.237 9.907 783 HD11 ILE 100 HD11 ILE 100 -3.658 12.041 10.363 784 HD12 ILE 100 HD12 ILE 100 -4.038 11.603 8.687 785 HD13 ILE 100 HD13 ILE 100 -4.646 13.125 9.386 786 H ILE 101 H ILE 101 -7.440 8.768 7.828 787 HA ILE 101 HA ILE 101 -6.886 6.457 9.580 788 HB ILE 101 HB ILE 101 -7.204 6.621 6.547 789 HG12 ILE 101 HG12 ILE 101 -9.079 5.410 8.533 790 HG13 ILE 101 HG13 ILE 101 -9.278 7.047 7.901 791 HG21 ILE 101 HG21 ILE 101 -5.767 4.767 7.301 792 HG22 ILE 101 HG22 ILE 101 -7.256 4.205 6.533 793 HG23 ILE 101 HG23 ILE 101 -7.066 4.141 8.319 794 HD11 ILE 101 HD11 ILE 101 -9.394 6.083 5.579 795 HD12 ILE 101 HD12 ILE 101 -10.748 5.583 6.596 796 HD13 ILE 101 HD13 ILE 101 -9.398 4.469 6.274 797 H THR 102 H THR 102 -4.798 5.883 9.951 798 HA THR 102 HA THR 102 -2.711 7.317 8.303 799 HB THR 102 HB THR 102 -1.367 7.109 10.336 800 HG1 THR 102 HG1 THR 102 -2.627 6.446 12.242 801 HG21 THR 102 HG21 THR 102 -2.380 8.722 11.589 802 HG22 THR 102 HG22 THR 102 -4.056 8.116 11.172 803 HG23 THR 102 HG23 THR 102 -3.025 8.958 9.937 804 H GLN 103 H GLN 103 -3.864 4.119 9.014 805 HA GLN 103 HA GLN 103 -1.771 3.351 7.124 806 HB2 GLN 103 HB2 GLN 103 -1.153 1.299 8.056 807 HB3 GLN 103 HB3 GLN 103 -1.007 2.433 9.409 808 HG2 GLN 103 HG2 GLN 103 -3.243 1.572 10.191 809 HG3 GLN 103 HG3 GLN 103 -3.175 0.359 8.909 810 HE21 GLN 103 HE21 GLN 103 -0.685 1.618 11.213 811 HE22 GLN 103 HE22 GLN 103 -0.252 0.036 11.853 812 H GLY 104 H GLY 104 -2.624 1.841 5.661 813 HA2 GLY 104 HA2 GLY 104 -4.348 0.585 4.687 814 HA3 GLY 104 HA3 GLY 104 -5.377 0.900 6.104 815 H ASN 105 H ASN 105 -3.898 3.730 4.802 816 HA ASN 105 HA ASN 105 -6.549 4.425 3.689 817 HB2 ASN 105 HB2 ASN 105 -5.461 5.979 5.315 818 HB3 ASN 105 HB3 ASN 105 -4.230 6.278 4.119 819 HD21 ASN 105 HD21 ASN 105 -4.487 8.218 3.310 820 HD22 ASN 105 HD22 ASN 105 -5.983 8.875 2.715 821 H GLU 106 H GLU 106 -3.218 3.885 2.868 822 HA GLU 106 HA GLU 106 -3.832 4.318 -0.015 823 HB2 GLU 106 HB2 GLU 106 -1.294 4.961 1.541 824 HB3 GLU 106 HB3 GLU 106 -1.419 5.004 -0.236 825 HG2 GLU 106 HG2 GLU 106 -3.147 6.726 -0.094 826 HG3 GLU 106 HG3 GLU 106 -2.981 6.782 1.654 827 H MET 107 H MET 107 -0.638 3.330 0.388 828 HA MET 107 HA MET 107 -1.221 0.398 0.116 829 HB2 MET 107 HB2 MET 107 -0.958 1.667 -2.106 830 HB3 MET 107 HB3 MET 107 0.604 2.214 -1.540 831 HG2 MET 107 HG2 MET 107 1.370 -0.140 -1.482 832 HG3 MET 107 HG3 MET 107 -0.162 -0.625 -2.210 833 HE1 MET 107 HE1 MET 107 3.319 1.030 -2.466 834 HE2 MET 107 HE2 MET 107 2.358 2.520 -2.707 835 HE3 MET 107 HE3 MET 107 3.290 1.846 -4.049 836 H ARG 108 H ARG 108 0.502 -0.922 0.725 837 HA ARG 108 HA ARG 108 3.094 0.304 1.584 838 HB2 ARG 108 HB2 ARG 108 1.513 0.215 3.582 839 HB3 ARG 108 HB3 ARG 108 1.380 -1.532 3.357 840 HG2 ARG 108 HG2 ARG 108 3.708 -1.875 3.926 841 HG3 ARG 108 HG3 ARG 108 3.972 -0.122 3.950 842 HD2 ARG 108 HD2 ARG 108 3.737 -0.932 6.232 843 HD3 ARG 108 HD3 ARG 108 2.306 0.063 5.821 844 HE ARG 108 HE ARG 108 1.646 -2.615 5.276 845 HH11 ARG 108 HH11 ARG 108 2.522 -0.715 8.192 846 HH12 ARG 108 HH12 ARG 108 1.396 -1.647 9.157 847 HH21 ARG 108 HH21 ARG 108 0.223 -3.596 6.598 848 HH22 ARG 108 HH22 ARG 108 0.146 -3.232 8.315 849 H LEU 109 H LEU 109 4.826 -1.281 1.343 850 HA LEU 109 HA LEU 109 4.162 -3.734 -0.192 851 HB2 LEU 109 HB2 LEU 109 6.762 -2.372 0.640 852 HB3 LEU 109 HB3 LEU 109 6.752 -3.988 -0.055 853 HG LEU 109 HG LEU 109 5.581 -1.644 -1.554 854 HD11 LEU 109 HD11 LEU 109 8.282 -2.990 -1.855 855 HD12 LEU 109 HD12 LEU 109 8.024 -1.374 -1.226 856 HD13 LEU 109 HD13 LEU 109 7.643 -1.726 -2.900 857 HD21 LEU 109 HD21 LEU 109 6.445 -4.488 -2.285 858 HD22 LEU 109 HD22 LEU 109 4.741 -3.961 -2.097 859 HD23 LEU 109 HD23 LEU 109 5.699 -3.311 -3.390 860 H LEU 110 H LEU 110 4.081 -5.754 0.646 861 HA LEU 110 HA LEU 110 4.798 -5.933 3.538 862 HB2 LEU 110 HB2 LEU 110 3.102 -7.823 1.863 863 HB3 LEU 110 HB3 LEU 110 3.405 -7.986 3.583 864 HG LEU 110 HG LEU 110 1.955 -5.656 2.255 865 HD11 LEU 110 HD11 LEU 110 0.691 -7.715 2.041 866 HD12 LEU 110 HD12 LEU 110 -0.056 -6.689 3.292 867 HD13 LEU 110 HD13 LEU 110 0.940 -8.080 3.761 868 HD21 LEU 110 HD21 LEU 110 2.196 -6.284 5.206 869 HD22 LEU 110 HD22 LEU 110 1.206 -5.026 4.478 870 HD23 LEU 110 HD23 LEU 110 2.972 -4.946 4.408 871 H SER 111 H SER 111 5.337 -7.662 0.415 872 HA SER 111 HA SER 111 7.976 -8.496 1.393 873 HB2 SER 111 HB2 SER 111 6.566 -10.334 2.323 874 HB3 SER 111 HB3 SER 111 5.897 -10.597 0.707 875 HG SER 111 HG SER 111 7.598 -12.021 0.889 876 H LEU 112 H LEU 112 9.311 -9.267 -0.319 877 HA LEU 112 HA LEU 112 8.092 -9.103 -3.057 878 HB2 LEU 112 HB2 LEU 112 10.790 -7.944 -2.149 879 HB3 LEU 112 HB3 LEU 112 10.200 -8.081 -3.802 880 HG LEU 112 HG LEU 112 8.431 -6.410 -3.330 881 HD11 LEU 112 HD11 LEU 112 9.007 -4.857 -1.317 882 HD12 LEU 112 HD12 LEU 112 9.843 -6.291 -0.633 883 HD13 LEU 112 HD13 LEU 112 8.094 -6.360 -0.974 884 HD21 LEU 112 HD21 LEU 112 10.635 -5.878 -4.354 885 HD22 LEU 112 HD22 LEU 112 11.290 -5.519 -2.779 886 HD23 LEU 112 HD23 LEU 112 9.993 -4.532 -3.429 887 H GLU 113 H GLU 113 8.884 -10.693 -4.464 888 HA GLU 113 HA GLU 113 10.991 -12.547 -3.392 889 HB2 GLU 113 HB2 GLU 113 8.867 -13.588 -4.170 890 HB3 GLU 113 HB3 GLU 113 9.126 -12.919 -5.797 891 HG2 GLU 113 HG2 GLU 113 9.857 -15.167 -5.824 892 HG3 GLU 113 HG3 GLU 113 11.304 -14.155 -5.798 893 H MET 114 H MET 114 13.041 -12.366 -4.348 894 HA MET 114 HA MET 114 13.185 -10.581 -6.764 895 HB2 MET 114 HB2 MET 114 14.752 -10.373 -4.183 896 HB3 MET 114 HB3 MET 114 14.921 -9.329 -5.564 897 HG2 MET 114 HG2 MET 114 12.576 -8.503 -5.226 898 HG3 MET 114 HG3 MET 114 12.415 -9.626 -3.854 899 HE1 MET 114 HE1 MET 114 13.373 -6.259 -4.912 900 HE2 MET 114 HE2 MET 114 14.965 -7.039 -4.946 901 HE3 MET 114 HE3 MET 114 14.611 -5.767 -3.734 902 H LEU 115 H LEU 115 14.977 -10.700 -8.114 903 HA LEU 115 HA LEU 115 16.658 -13.115 -7.697 904 HB2 LEU 115 HB2 LEU 115 15.865 -11.749 -10.292 905 HB3 LEU 115 HB3 LEU 115 16.917 -13.139 -10.148 906 HG LEU 115 HG LEU 115 14.038 -13.076 -9.364 907 HD11 LEU 115 HD11 LEU 115 15.400 -14.212 -11.814 908 HD12 LEU 115 HD12 LEU 115 13.748 -14.550 -11.387 909 HD13 LEU 115 HD13 LEU 115 14.257 -12.884 -11.781 910 HD21 LEU 115 HD21 LEU 115 15.179 -14.743 -8.091 911 HD22 LEU 115 HD22 LEU 115 16.121 -15.279 -9.513 912 HD23 LEU 115 HD23 LEU 115 14.355 -15.644 -9.445 913 H ALA 116 H ALA 116 18.856 -12.980 -7.814 914 HA ALA 116 HA ALA 116 20.103 -10.371 -7.837 915 HB1 ALA 116 HB1 ALA 116 20.804 -12.245 -6.401 916 HB2 ALA 116 HB2 ALA 116 22.122 -11.623 -7.428 917 HB3 ALA 116 HB3 ALA 116 21.320 -13.150 -7.879 918 H GLU 117 H GLU 117 21.795 -9.706 -9.284 919 HA GLU 117 HA GLU 117 21.252 -10.216 -12.042 920 HB2 GLU 117 HB2 GLU 117 23.141 -8.752 -12.493 921 HB3 GLU 117 HB3 GLU 117 22.022 -8.061 -11.295 922 HG2 GLU 117 HG2 GLU 117 24.519 -9.512 -10.340 923 HG3 GLU 117 HG3 GLU 117 24.629 -7.881 -11.047 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -2.820 11.078 -5.971 2 H2 MET 1 H2 MET 1 -1.757 9.838 -5.830 3 H3 MET 1 H3 MET 1 -2.078 10.805 -4.523 4 HA MET 1 HA MET 1 -3.148 8.741 -4.247 5 HB2 MET 1 HB2 MET 1 -5.095 10.997 -4.809 6 HB3 MET 1 HB3 MET 1 -5.441 9.561 -3.849 7 HG2 MET 1 HG2 MET 1 -3.377 11.705 -3.200 8 HG3 MET 1 HG3 MET 1 -4.975 11.546 -2.466 9 HE1 MET 1 HE1 MET 1 -4.702 8.355 -0.202 10 HE2 MET 1 HE2 MET 1 -5.385 8.414 -1.856 11 HE3 MET 1 HE3 MET 1 -5.680 9.729 -0.723 12 H HIS 2 H HIS 2 -3.500 10.063 -7.484 13 HA HIS 2 HA HIS 2 -5.699 8.380 -8.319 14 HB2 HIS 2 HB2 HIS 2 -3.402 9.718 -9.851 15 HB3 HIS 2 HB3 HIS 2 -4.731 8.805 -10.627 16 HD1 HIS 2 HD1 HIS 2 -4.451 11.758 -11.398 17 HD2 HIS 2 HD2 HIS 2 -6.620 10.610 -7.994 18 HE1 HIS 2 HE1 HIS 2 -6.113 13.642 -10.887 19 HE2 HIS 2 HE2 HIS 2 -7.408 12.924 -8.839 20 H GLU 3 H GLU 3 -5.506 6.241 -9.450 21 HA GLU 3 HA GLU 3 -3.604 4.636 -8.023 22 HB2 GLU 3 HB2 GLU 3 -5.092 3.858 -10.580 23 HB3 GLU 3 HB3 GLU 3 -4.301 2.777 -9.436 24 HG2 GLU 3 HG2 GLU 3 -6.715 4.578 -8.968 25 HG3 GLU 3 HG3 GLU 3 -6.699 2.818 -9.078 26 H TYR 4 H TYR 4 -3.543 5.941 -11.336 27 HA TYR 4 HA TYR 4 -1.205 4.378 -12.079 28 HB2 TYR 4 HB2 TYR 4 -2.507 6.911 -13.135 29 HB3 TYR 4 HB3 TYR 4 -1.091 6.158 -13.934 30 HD1 TYR 4 HD1 TYR 4 -1.227 4.262 -15.322 31 HD2 TYR 4 HD2 TYR 4 -4.731 5.506 -13.123 32 HE1 TYR 4 HE1 TYR 4 -2.651 2.547 -16.526 33 HE2 TYR 4 HE2 TYR 4 -6.100 3.776 -14.374 34 HH TYR 4 HH TYR 4 -6.037 2.063 -15.882 35 H SER 5 H SER 5 -1.654 7.446 -10.375 36 HA SER 5 HA SER 5 1.164 8.134 -10.573 37 HB2 SER 5 HB2 SER 5 -0.527 9.849 -10.170 38 HB3 SER 5 HB3 SER 5 -0.913 9.090 -8.608 39 HG SER 5 HG SER 5 1.223 10.703 -9.359 40 H VAL 6 H VAL 6 -0.908 6.366 -8.190 41 HA VAL 6 HA VAL 6 1.198 6.146 -6.238 42 HB VAL 6 HB VAL 6 -1.298 4.449 -6.705 43 HG11 VAL 6 HG11 VAL 6 0.686 4.515 -4.414 44 HG12 VAL 6 HG12 VAL 6 0.215 3.117 -5.415 45 HG13 VAL 6 HG13 VAL 6 -0.939 3.857 -4.273 46 HG21 VAL 6 HG21 VAL 6 -1.703 6.876 -6.182 47 HG22 VAL 6 HG22 VAL 6 -0.793 6.629 -4.660 48 HG23 VAL 6 HG23 VAL 6 -2.322 5.737 -4.946 49 H VAL 7 H VAL 7 0.049 4.011 -8.933 50 HA VAL 7 HA VAL 7 1.917 1.938 -8.275 51 HB VAL 7 HB VAL 7 0.455 2.554 -10.894 52 HG11 VAL 7 HG11 VAL 7 1.927 0.024 -10.024 53 HG12 VAL 7 HG12 VAL 7 2.465 1.159 -11.254 54 HG13 VAL 7 HG13 VAL 7 0.993 0.258 -11.469 55 HG21 VAL 7 HG21 VAL 7 -1.055 1.952 -8.994 56 HG22 VAL 7 HG22 VAL 7 -0.077 0.540 -8.595 57 HG23 VAL 7 HG23 VAL 7 -0.982 0.628 -10.129 58 H SER 8 H SER 8 2.074 4.876 -10.299 59 HA SER 8 HA SER 8 4.591 4.234 -11.587 60 HB2 SER 8 HB2 SER 8 3.175 6.074 -12.306 61 HB3 SER 8 HB3 SER 8 3.436 6.924 -10.763 62 HG SER 8 HG SER 8 5.265 6.382 -12.867 63 H SER 9 H SER 9 3.676 5.584 -8.384 64 HA SER 9 HA SER 9 6.420 6.140 -7.619 65 HB2 SER 9 HB2 SER 9 4.539 7.306 -6.562 66 HB3 SER 9 HB3 SER 9 3.890 5.794 -6.000 67 HG SER 9 HG SER 9 6.390 6.985 -5.269 68 H LEU 10 H LEU 10 4.127 3.403 -7.361 69 HA LEU 10 HA LEU 10 5.608 1.834 -5.510 70 HB2 LEU 10 HB2 LEU 10 3.246 1.356 -6.188 71 HB3 LEU 10 HB3 LEU 10 3.827 0.895 -7.755 72 HG LEU 10 HG LEU 10 5.021 -0.983 -6.790 73 HD11 LEU 10 HD11 LEU 10 5.396 -0.249 -4.563 74 HD12 LEU 10 HD12 LEU 10 4.503 -1.791 -4.591 75 HD13 LEU 10 HD13 LEU 10 3.634 -0.277 -4.230 76 HD21 LEU 10 HD21 LEU 10 2.828 -1.116 -7.771 77 HD22 LEU 10 HD22 LEU 10 2.093 -0.761 -6.172 78 HD23 LEU 10 HD23 LEU 10 3.020 -2.235 -6.428 79 H ILE 11 H ILE 11 5.653 1.893 -9.090 80 HA ILE 11 HA ILE 11 7.391 -0.381 -9.238 81 HB ILE 11 HB ILE 11 7.087 1.896 -11.211 82 HG12 ILE 11 HG12 ILE 11 4.959 0.672 -10.872 83 HG13 ILE 11 HG13 ILE 11 5.623 0.365 -12.431 84 HG21 ILE 11 HG21 ILE 11 9.149 0.886 -11.721 85 HG22 ILE 11 HG22 ILE 11 7.981 0.218 -12.887 86 HG23 ILE 11 HG23 ILE 11 8.480 -0.767 -11.445 87 HD11 ILE 11 HD11 ILE 11 4.678 -1.664 -11.530 88 HD12 ILE 11 HD12 ILE 11 5.763 -1.545 -10.099 89 HD13 ILE 11 HD13 ILE 11 6.404 -1.877 -11.733 90 H ALA 12 H ALA 12 7.942 3.164 -8.943 91 HA ALA 12 HA ALA 12 10.799 2.935 -9.215 92 HB1 ALA 12 HB1 ALA 12 10.790 5.194 -8.111 93 HB2 ALA 12 HB2 ALA 12 9.016 5.014 -7.928 94 HB3 ALA 12 HB3 ALA 12 9.741 5.053 -9.594 95 H LEU 13 H LEU 13 8.519 2.758 -6.565 96 HA LEU 13 HA LEU 13 10.376 2.756 -4.399 97 HB2 LEU 13 HB2 LEU 13 7.952 3.118 -4.222 98 HB3 LEU 13 HB3 LEU 13 7.731 1.404 -4.562 99 HG LEU 13 HG LEU 13 8.815 0.761 -2.470 100 HD11 LEU 13 HD11 LEU 13 8.987 3.754 -1.998 101 HD12 LEU 13 HD12 LEU 13 10.354 2.679 -2.278 102 HD13 LEU 13 HD13 LEU 13 9.386 2.510 -0.820 103 HD21 LEU 13 HD21 LEU 13 6.626 2.896 -2.038 104 HD22 LEU 13 HD22 LEU 13 7.001 1.533 -0.943 105 HD23 LEU 13 HD23 LEU 13 6.319 1.213 -2.561 106 H CYS 14 H CYS 14 9.093 0.243 -6.503 107 HA CYS 14 HA CYS 14 10.309 -2.008 -5.103 108 HB2 CYS 14 HB2 CYS 14 9.341 -1.650 -7.972 109 HB3 CYS 14 HB3 CYS 14 9.866 -3.153 -7.285 110 HG CYS 14 HG CYS 14 7.317 -1.252 -6.513 111 H GLU 15 H GLU 15 11.251 0.193 -7.812 112 HA GLU 15 HA GLU 15 13.692 -1.270 -8.336 113 HB2 GLU 15 HB2 GLU 15 12.944 1.632 -8.818 114 HB3 GLU 15 HB3 GLU 15 14.428 0.922 -9.388 115 HG2 GLU 15 HG2 GLU 15 13.176 -0.653 -10.780 116 HG3 GLU 15 HG3 GLU 15 11.686 0.069 -10.226 117 H GLU 16 H GLU 16 12.951 1.457 -6.061 118 HA GLU 16 HA GLU 16 15.764 1.674 -5.528 119 HB2 GLU 16 HB2 GLU 16 15.336 3.083 -3.709 120 HB3 GLU 16 HB3 GLU 16 14.255 3.546 -5.032 121 HG2 GLU 16 HG2 GLU 16 12.486 2.313 -3.853 122 HG3 GLU 16 HG3 GLU 16 13.635 1.915 -2.590 123 H HIS 17 H HIS 17 13.166 -0.314 -4.276 124 HA HIS 17 HA HIS 17 14.759 -1.298 -2.085 125 HB2 HIS 17 HB2 HIS 17 12.322 -2.466 -3.487 126 HB3 HIS 17 HB3 HIS 17 13.168 -3.238 -2.143 127 HD1 HIS 17 HD1 HIS 17 13.362 -2.077 0.210 128 HD2 HIS 17 HD2 HIS 17 10.482 -0.612 -2.442 129 HE1 HIS 17 HE1 HIS 17 11.790 -0.741 1.578 130 HE2 HIS 17 HE2 HIS 17 10.001 0.172 0.064 131 H ALA 18 H ALA 18 14.478 -2.169 -5.546 132 HA ALA 18 HA ALA 18 15.985 -4.611 -5.305 133 HB1 ALA 18 HB1 ALA 18 15.896 -2.660 -7.595 134 HB2 ALA 18 HB2 ALA 18 14.667 -3.897 -7.342 135 HB3 ALA 18 HB3 ALA 18 16.322 -4.381 -7.676 136 H LYS 19 H LYS 19 16.915 -1.144 -5.615 137 HA LYS 19 HA LYS 19 19.762 -1.717 -5.827 138 HB2 LYS 19 HB2 LYS 19 18.169 0.665 -4.753 139 HB3 LYS 19 HB3 LYS 19 19.928 0.725 -4.976 140 HG2 LYS 19 HG2 LYS 19 19.669 0.422 -7.380 141 HG3 LYS 19 HG3 LYS 19 17.934 0.175 -7.237 142 HD2 LYS 19 HD2 LYS 19 18.200 2.390 -7.999 143 HD3 LYS 19 HD3 LYS 19 17.619 2.432 -6.312 144 HE2 LYS 19 HE2 LYS 19 19.922 2.863 -5.511 145 HE3 LYS 19 HE3 LYS 19 20.488 2.868 -7.209 146 HZ1 LYS 19 HZ1 LYS 19 18.349 4.646 -6.129 147 HZ2 LYS 19 HZ2 LYS 19 19.044 4.697 -7.640 148 HZ3 LYS 19 HZ3 LYS 19 19.951 5.063 -6.298 149 H LYS 20 H LYS 20 17.492 -1.269 -3.069 150 HA LYS 20 HA LYS 20 19.569 -1.194 -1.072 151 HB2 LYS 20 HB2 LYS 20 16.631 -1.827 -0.825 152 HB3 LYS 20 HB3 LYS 20 17.721 -1.602 0.509 153 HG2 LYS 20 HG2 LYS 20 18.145 0.729 -0.132 154 HG3 LYS 20 HG3 LYS 20 17.135 0.469 -1.526 155 HD2 LYS 20 HD2 LYS 20 15.219 -0.009 -0.064 156 HD3 LYS 20 HD3 LYS 20 16.229 0.268 1.369 157 HE2 LYS 20 HE2 LYS 20 16.686 2.577 0.546 158 HE3 LYS 20 HE3 LYS 20 15.630 2.217 -0.873 159 HZ1 LYS 20 HZ1 LYS 20 14.750 2.153 1.931 160 HZ2 LYS 20 HZ2 LYS 20 13.776 1.933 0.604 161 HZ3 LYS 20 HZ3 LYS 20 14.468 3.402 0.874 162 H ASN 21 H ASN 21 17.806 -3.738 -2.652 163 HA ASN 21 HA ASN 21 18.877 -5.683 -0.692 164 HB2 ASN 21 HB2 ASN 21 16.446 -5.745 -1.358 165 HB3 ASN 21 HB3 ASN 21 16.970 -6.241 -2.966 166 HD21 ASN 21 HD21 ASN 21 16.519 -8.332 -3.181 167 HD22 ASN 21 HD22 ASN 21 16.877 -9.584 -2.027 168 H GLN 22 H GLN 22 19.937 -4.226 -3.355 169 HA GLN 22 HA GLN 22 21.515 -4.706 -4.979 170 HB2 GLN 22 HB2 GLN 22 22.279 -6.822 -2.955 171 HB3 GLN 22 HB3 GLN 22 23.286 -6.286 -4.297 172 HG2 GLN 22 HG2 GLN 22 23.216 -3.990 -3.362 173 HG3 GLN 22 HG3 GLN 22 22.324 -4.626 -1.979 174 HE21 GLN 22 HE21 GLN 22 23.488 -4.913 -0.269 175 HE22 GLN 22 HE22 GLN 22 25.158 -5.439 -0.256 176 H ALA 23 H ALA 23 19.098 -5.532 -5.568 177 HA ALA 23 HA ALA 23 19.507 -8.235 -6.853 178 HB1 ALA 23 HB1 ALA 23 16.994 -8.483 -6.602 179 HB2 ALA 23 HB2 ALA 23 16.975 -6.961 -5.668 180 HB3 ALA 23 HB3 ALA 23 17.836 -8.383 -5.043 181 H HIS 24 H HIS 24 18.643 -8.500 -8.960 182 HA HIS 24 HA HIS 24 18.573 -5.872 -10.354 183 HB2 HIS 24 HB2 HIS 24 19.354 -6.998 -12.289 184 HB3 HIS 24 HB3 HIS 24 20.323 -7.570 -10.896 185 HD1 HIS 24 HD1 HIS 24 18.540 -8.643 -13.904 186 HD2 HIS 24 HD2 HIS 24 19.276 -10.313 -10.105 187 HE1 HIS 24 HE1 HIS 24 18.148 -11.166 -14.092 188 HE2 HIS 24 HE2 HIS 24 18.694 -12.174 -11.848 189 H LYS 25 H LYS 25 16.491 -8.510 -9.554 190 HA LYS 25 HA LYS 25 14.409 -7.489 -11.388 191 HB2 LYS 25 HB2 LYS 25 15.750 -9.167 -12.634 192 HB3 LYS 25 HB3 LYS 25 15.369 -10.367 -11.370 193 HG2 LYS 25 HG2 LYS 25 13.001 -10.186 -12.001 194 HG3 LYS 25 HG3 LYS 25 13.437 -9.006 -13.253 195 HD2 LYS 25 HD2 LYS 25 14.926 -10.661 -14.306 196 HD3 LYS 25 HD3 LYS 25 14.418 -11.864 -13.097 197 HE2 LYS 25 HE2 LYS 25 12.083 -11.609 -13.850 198 HE3 LYS 25 HE3 LYS 25 12.637 -10.441 -15.057 199 HZ1 LYS 25 HZ1 LYS 25 13.964 -12.115 -16.109 200 HZ2 LYS 25 HZ2 LYS 25 13.556 -13.250 -14.977 201 HZ3 LYS 25 HZ3 LYS 25 12.422 -12.634 -16.001 202 H ILE 26 H ILE 26 12.373 -7.716 -10.494 203 HA ILE 26 HA ILE 26 12.209 -9.225 -7.906 204 HB ILE 26 HB ILE 26 10.530 -6.884 -9.027 205 HG12 ILE 26 HG12 ILE 26 12.511 -7.040 -6.704 206 HG13 ILE 26 HG13 ILE 26 12.934 -6.421 -8.297 207 HG21 ILE 26 HG21 ILE 26 10.473 -8.376 -6.401 208 HG22 ILE 26 HG22 ILE 26 9.594 -6.873 -6.672 209 HG23 ILE 26 HG23 ILE 26 9.173 -8.338 -7.588 210 HD11 ILE 26 HD11 ILE 26 10.916 -5.204 -6.425 211 HD12 ILE 26 HD12 ILE 26 11.147 -4.710 -8.135 212 HD13 ILE 26 HD13 ILE 26 12.463 -4.560 -6.915 213 H GLU 27 H GLU 27 11.101 -11.037 -7.961 214 HA GLU 27 HA GLU 27 9.704 -11.906 -10.356 215 HB2 GLU 27 HB2 GLU 27 10.756 -13.053 -7.852 216 HB3 GLU 27 HB3 GLU 27 9.258 -13.788 -8.382 217 HG2 GLU 27 HG2 GLU 27 11.651 -13.450 -10.142 218 HG3 GLU 27 HG3 GLU 27 11.215 -14.897 -9.276 219 H ARG 28 H ARG 28 8.809 -10.918 -7.110 220 HA ARG 28 HA ARG 28 5.929 -10.889 -7.925 221 HB2 ARG 28 HB2 ARG 28 6.469 -13.145 -6.966 222 HB3 ARG 28 HB3 ARG 28 6.910 -12.341 -5.441 223 HG2 ARG 28 HG2 ARG 28 4.516 -11.431 -5.343 224 HG3 ARG 28 HG3 ARG 28 4.145 -12.437 -6.747 225 HD2 ARG 28 HD2 ARG 28 5.149 -13.420 -4.051 226 HD3 ARG 28 HD3 ARG 28 3.516 -13.602 -4.709 227 HE ARG 28 HE ARG 28 5.929 -15.123 -5.277 228 HH11 ARG 28 HH11 ARG 28 5.831 -16.900 -6.549 229 HH12 ARG 28 HH12 ARG 28 4.442 -17.227 -7.579 230 HH21 ARG 28 HH21 ARG 28 2.671 -14.431 -6.570 231 HH22 ARG 28 HH22 ARG 28 2.662 -15.852 -7.547 232 H VAL 29 H VAL 29 4.783 -9.303 -6.830 233 HA VAL 29 HA VAL 29 6.152 -7.892 -4.539 234 HB VAL 29 HB VAL 29 4.491 -6.578 -6.820 235 HG11 VAL 29 HG11 VAL 29 5.052 -4.435 -5.694 236 HG12 VAL 29 HG12 VAL 29 5.883 -5.326 -4.364 237 HG13 VAL 29 HG13 VAL 29 4.105 -5.496 -4.639 238 HG21 VAL 29 HG21 VAL 29 6.531 -5.393 -7.438 239 HG22 VAL 29 HG22 VAL 29 6.814 -7.132 -7.480 240 HG23 VAL 29 HG23 VAL 29 7.450 -6.161 -6.127 241 H VAL 30 H VAL 30 4.740 -8.063 -2.711 242 HA VAL 30 HA VAL 30 1.831 -8.183 -3.439 243 HB VAL 30 HB VAL 30 1.387 -9.500 -1.431 244 HG11 VAL 30 HG11 VAL 30 2.039 -11.629 -2.336 245 HG12 VAL 30 HG12 VAL 30 3.613 -10.976 -2.915 246 HG13 VAL 30 HG13 VAL 30 2.130 -10.541 -3.762 247 HG21 VAL 30 HG21 VAL 30 4.382 -9.719 -1.086 248 HG22 VAL 30 HG22 VAL 30 3.133 -10.520 -0.101 249 HG23 VAL 30 HG23 VAL 30 3.313 -8.732 -0.068 250 H VAL 31 H VAL 31 0.485 -6.787 -2.392 251 HA VAL 31 HA VAL 31 1.882 -4.744 -0.679 252 HB VAL 31 HB VAL 31 0.455 -2.972 -1.792 253 HG11 VAL 31 HG11 VAL 31 2.171 -4.570 -3.679 254 HG12 VAL 31 HG12 VAL 31 2.622 -3.144 -2.673 255 HG13 VAL 31 HG13 VAL 31 1.529 -2.920 -4.043 256 HG21 VAL 31 HG21 VAL 31 -1.474 -4.310 -2.570 257 HG22 VAL 31 HG22 VAL 31 -0.429 -5.069 -3.792 258 HG23 VAL 31 HG23 VAL 31 -0.791 -3.309 -3.849 259 H GLY 32 H GLY 32 0.314 -3.482 0.662 260 HA2 GLY 32 HA2 GLY 32 -2.179 -5.016 1.116 261 HA3 GLY 32 HA3 GLY 32 -1.300 -4.243 2.436 262 H ILE 33 H ILE 33 -4.022 -3.786 0.994 263 HA ILE 33 HA ILE 33 -3.636 -0.855 0.724 264 HB ILE 33 HB ILE 33 -5.446 -2.549 -1.052 265 HG12 ILE 33 HG12 ILE 33 -3.122 -0.687 -1.756 266 HG13 ILE 33 HG13 ILE 33 -3.002 -2.441 -1.693 267 HG21 ILE 33 HG21 ILE 33 -6.561 -0.436 -0.361 268 HG22 ILE 33 HG22 ILE 33 -6.109 -0.390 -2.056 269 HG23 ILE 33 HG23 ILE 33 -5.113 0.514 -0.871 270 HD11 ILE 33 HD11 ILE 33 -3.227 -1.896 -3.982 271 HD12 ILE 33 HD12 ILE 33 -4.540 -0.709 -3.642 272 HD13 ILE 33 HD13 ILE 33 -4.832 -2.476 -3.472 273 H GLY 34 H GLY 34 -4.894 0.189 2.153 274 HA2 GLY 34 HA2 GLY 34 -6.253 -1.284 4.130 275 HA3 GLY 34 HA3 GLY 34 -6.303 0.438 3.898 276 H GLU 35 H GLU 35 -8.284 -1.464 4.726 277 HA GLU 35 HA GLU 35 -10.237 -1.808 2.669 278 HB2 GLU 35 HB2 GLU 35 -11.697 -2.481 4.445 279 HB3 GLU 35 HB3 GLU 35 -10.066 -3.030 4.796 280 HG2 GLU 35 HG2 GLU 35 -9.758 -1.123 6.313 281 HG3 GLU 35 HG3 GLU 35 -11.404 -0.668 5.978 282 H ARG 36 H ARG 36 -9.464 1.053 4.541 283 HA ARG 36 HA ARG 36 -11.829 2.373 3.313 284 HB2 ARG 36 HB2 ARG 36 -10.362 3.136 5.805 285 HB3 ARG 36 HB3 ARG 36 -11.667 4.054 5.082 286 HG2 ARG 36 HG2 ARG 36 -13.180 2.175 5.388 287 HG3 ARG 36 HG3 ARG 36 -11.916 1.253 6.190 288 HD2 ARG 36 HD2 ARG 36 -11.789 3.027 7.891 289 HD3 ARG 36 HD3 ARG 36 -13.128 3.856 7.093 290 HE ARG 36 HE ARG 36 -13.320 1.330 8.643 291 HH11 ARG 36 HH11 ARG 36 -15.365 0.386 8.829 292 HH12 ARG 36 HH12 ARG 36 -16.775 1.192 8.147 293 HH21 ARG 36 HH21 ARG 36 -14.952 3.695 6.612 294 HH22 ARG 36 HH22 ARG 36 -16.542 3.024 6.970 295 H SER 37 H SER 37 -9.125 1.815 2.186 296 HA SER 37 HA SER 37 -7.794 4.404 2.054 297 HB2 SER 37 HB2 SER 37 -6.482 3.439 0.299 298 HB3 SER 37 HB3 SER 37 -6.635 2.277 1.652 299 HG SER 37 HG SER 37 -7.969 1.039 0.494 300 H ALA 38 H ALA 38 -7.731 5.867 0.255 301 HA ALA 38 HA ALA 38 -10.307 6.237 -1.014 302 HB1 ALA 38 HB1 ALA 38 -8.929 8.124 -0.318 303 HB2 ALA 38 HB2 ALA 38 -9.215 8.135 -2.078 304 HB3 ALA 38 HB3 ALA 38 -7.660 7.599 -1.419 305 H MET 39 H MET 39 -7.738 4.244 -1.605 306 HA MET 39 HA MET 39 -7.331 4.402 -4.418 307 HB2 MET 39 HB2 MET 39 -6.846 2.219 -2.414 308 HB3 MET 39 HB3 MET 39 -6.245 2.256 -4.056 309 HG2 MET 39 HG2 MET 39 -4.984 4.341 -3.557 310 HG3 MET 39 HG3 MET 39 -5.523 4.243 -1.879 311 HE1 MET 39 HE1 MET 39 -3.335 3.089 -4.595 312 HE2 MET 39 HE2 MET 39 -4.120 1.503 -4.394 313 HE3 MET 39 HE3 MET 39 -2.394 1.690 -3.917 314 H ASP 40 H ASP 40 -7.813 2.832 -5.994 315 HA ASP 40 HA ASP 40 -10.369 1.347 -5.591 316 HB2 ASP 40 HB2 ASP 40 -10.529 3.301 -7.117 317 HB3 ASP 40 HB3 ASP 40 -9.282 2.574 -8.141 318 H LYS 41 H LYS 41 -9.793 -0.792 -5.378 319 HA LYS 41 HA LYS 41 -7.186 -1.795 -6.059 320 HB2 LYS 41 HB2 LYS 41 -9.831 -3.210 -5.572 321 HB3 LYS 41 HB3 LYS 41 -8.285 -4.048 -5.708 322 HG2 LYS 41 HG2 LYS 41 -7.457 -2.859 -3.730 323 HG3 LYS 41 HG3 LYS 41 -8.961 -1.951 -3.574 324 HD2 LYS 41 HD2 LYS 41 -9.136 -3.764 -2.004 325 HD3 LYS 41 HD3 LYS 41 -10.189 -4.131 -3.392 326 HE2 LYS 41 HE2 LYS 41 -8.490 -5.612 -4.370 327 HE3 LYS 41 HE3 LYS 41 -7.403 -5.225 -3.011 328 HZ1 LYS 41 HZ1 LYS 41 -8.561 -7.258 -2.609 329 HZ2 LYS 41 HZ2 LYS 41 -10.020 -6.539 -2.688 330 HZ3 LYS 41 HZ3 LYS 41 -8.955 -6.160 -1.450 331 H SER 42 H SER 42 -10.180 -1.829 -8.021 332 HA SER 42 HA SER 42 -9.057 -3.727 -9.872 333 HB2 SER 42 HB2 SER 42 -11.349 -1.807 -10.150 334 HB3 SER 42 HB3 SER 42 -10.961 -3.116 -11.294 335 HG SER 42 HG SER 42 -12.250 -4.193 -9.976 336 H LEU 43 H LEU 43 -9.082 -0.186 -9.702 337 HA LEU 43 HA LEU 43 -7.900 0.016 -12.338 338 HB2 LEU 43 HB2 LEU 43 -8.210 2.015 -10.110 339 HB3 LEU 43 HB3 LEU 43 -7.535 2.392 -11.679 340 HG LEU 43 HG LEU 43 -10.360 1.418 -11.252 341 HD11 LEU 43 HD11 LEU 43 -9.859 3.687 -10.231 342 HD12 LEU 43 HD12 LEU 43 -11.056 3.696 -11.533 343 HD13 LEU 43 HD13 LEU 43 -9.391 4.258 -11.847 344 HD21 LEU 43 HD21 LEU 43 -10.798 2.151 -13.513 345 HD22 LEU 43 HD22 LEU 43 -9.090 2.676 -13.712 346 HD23 LEU 43 HD23 LEU 43 -9.499 0.968 -13.500 347 H PHE 44 H PHE 44 -6.877 -0.354 -9.031 348 HA PHE 44 HA PHE 44 -4.176 0.503 -9.358 349 HB2 PHE 44 HB2 PHE 44 -5.281 0.072 -7.153 350 HB3 PHE 44 HB3 PHE 44 -5.225 -1.623 -7.549 351 HD1 PHE 44 HD1 PHE 44 -3.111 1.296 -6.776 352 HD2 PHE 44 HD2 PHE 44 -3.272 -2.930 -7.350 353 HE1 PHE 44 HE1 PHE 44 -0.857 1.129 -5.729 354 HE2 PHE 44 HE2 PHE 44 -1.043 -3.124 -6.265 355 HZ PHE 44 HZ PHE 44 0.132 -1.084 -5.466 356 H VAL 45 H VAL 45 -5.680 -2.720 -9.675 357 HA VAL 45 HA VAL 45 -3.122 -3.861 -10.404 358 HB VAL 45 HB VAL 45 -4.323 -5.932 -10.996 359 HG11 VAL 45 HG11 VAL 45 -5.191 -6.406 -8.787 360 HG12 VAL 45 HG12 VAL 45 -5.400 -4.681 -8.468 361 HG13 VAL 45 HG13 VAL 45 -3.785 -5.310 -8.673 362 HG21 VAL 45 HG21 VAL 45 -6.807 -6.088 -10.694 363 HG22 VAL 45 HG22 VAL 45 -6.321 -5.020 -12.066 364 HG23 VAL 45 HG23 VAL 45 -6.884 -4.336 -10.546 365 H SER 46 H SER 46 -5.666 -2.214 -12.158 366 HA SER 46 HA SER 46 -4.950 -3.225 -14.759 367 HB2 SER 46 HB2 SER 46 -7.110 -2.207 -14.258 368 HB3 SER 46 HB3 SER 46 -6.315 -0.630 -13.986 369 HG SER 46 HG SER 46 -6.365 -2.169 -16.370 370 H ALA 47 H ALA 47 -4.079 -0.463 -12.701 371 HA ALA 47 HA ALA 47 -2.307 0.767 -14.568 372 HB1 ALA 47 HB1 ALA 47 -3.273 1.985 -12.696 373 HB2 ALA 47 HB2 ALA 47 -1.487 1.967 -12.542 374 HB3 ALA 47 HB3 ALA 47 -2.477 0.892 -11.552 375 H PHE 48 H PHE 48 -1.867 -1.770 -12.059 376 HA PHE 48 HA PHE 48 1.020 -1.587 -12.138 377 HB2 PHE 48 HB2 PHE 48 -0.291 -2.869 -10.374 378 HB3 PHE 48 HB3 PHE 48 -0.600 -4.098 -11.579 379 HD1 PHE 48 HD1 PHE 48 1.205 -5.661 -12.304 380 HD2 PHE 48 HD2 PHE 48 1.900 -2.503 -9.489 381 HE1 PHE 48 HE1 PHE 48 3.396 -6.661 -11.773 382 HE2 PHE 48 HE2 PHE 48 4.103 -3.487 -8.920 383 HZ PHE 48 HZ PHE 48 4.861 -5.595 -10.047 384 H GLU 49 H GLU 49 -1.318 -3.347 -14.100 385 HA GLU 49 HA GLU 49 0.618 -4.901 -15.575 386 HB2 GLU 49 HB2 GLU 49 -2.188 -3.880 -16.227 387 HB3 GLU 49 HB3 GLU 49 -1.271 -4.997 -17.289 388 HG2 GLU 49 HG2 GLU 49 -1.173 -6.675 -15.484 389 HG3 GLU 49 HG3 GLU 49 -2.051 -5.561 -14.451 390 H THR 50 H THR 50 -0.648 -1.553 -15.883 391 HA THR 50 HA THR 50 0.522 -1.210 -18.487 392 HB THR 50 HB THR 50 -0.150 0.904 -16.413 393 HG1 THR 50 HG1 THR 50 -1.981 -0.306 -16.750 394 HG21 THR 50 HG21 THR 50 0.993 2.008 -18.117 395 HG22 THR 50 HG22 THR 50 -0.718 2.193 -18.552 396 HG23 THR 50 HG23 THR 50 0.274 0.980 -19.394 397 H PHE 51 H PHE 51 1.582 -0.398 -15.161 398 HA PHE 51 HA PHE 51 4.014 0.829 -16.134 399 HB2 PHE 51 HB2 PHE 51 2.971 0.395 -13.347 400 HB3 PHE 51 HB3 PHE 51 4.510 1.165 -13.741 401 HD1 PHE 51 HD1 PHE 51 0.940 1.856 -13.456 402 HD2 PHE 51 HD2 PHE 51 4.734 3.166 -15.129 403 HE1 PHE 51 HE1 PHE 51 0.060 4.129 -13.766 404 HE2 PHE 51 HE2 PHE 51 3.818 5.439 -15.396 405 HZ PHE 51 HZ PHE 51 1.447 5.972 -14.692 406 H ARG 52 H ARG 52 3.275 -2.446 -14.963 407 HA ARG 52 HA ARG 52 5.885 -3.062 -13.981 408 HB2 ARG 52 HB2 ARG 52 5.323 -5.382 -14.261 409 HB3 ARG 52 HB3 ARG 52 3.927 -4.479 -13.658 410 HG2 ARG 52 HG2 ARG 52 3.096 -4.364 -16.045 411 HG3 ARG 52 HG3 ARG 52 4.387 -5.438 -16.495 412 HD2 ARG 52 HD2 ARG 52 2.219 -6.034 -14.436 413 HD3 ARG 52 HD3 ARG 52 2.202 -6.621 -16.103 414 HE ARG 52 HE ARG 52 3.695 -7.674 -13.868 415 HH11 ARG 52 HH11 ARG 52 4.546 -9.724 -14.178 416 HH12 ARG 52 HH12 ARG 52 4.844 -10.345 -15.768 417 HH21 ARG 52 HH21 ARG 52 3.510 -7.612 -17.413 418 HH22 ARG 52 HH22 ARG 52 4.246 -9.162 -17.555 419 H GLU 53 H GLU 53 4.733 -2.723 -17.261 420 HA GLU 53 HA GLU 53 6.979 -4.066 -18.534 421 HB2 GLU 53 HB2 GLU 53 4.971 -1.972 -19.541 422 HB3 GLU 53 HB3 GLU 53 6.081 -2.941 -20.520 423 HG2 GLU 53 HG2 GLU 53 3.818 -3.992 -18.842 424 HG3 GLU 53 HG3 GLU 53 3.794 -3.790 -20.601 425 H GLU 54 H GLU 54 6.503 -0.883 -17.170 426 HA GLU 54 HA GLU 54 8.259 0.610 -18.844 427 HB2 GLU 54 HB2 GLU 54 7.433 1.059 -16.001 428 HB3 GLU 54 HB3 GLU 54 8.305 2.212 -16.962 429 HG2 GLU 54 HG2 GLU 54 5.702 1.085 -17.883 430 HG3 GLU 54 HG3 GLU 54 5.769 2.383 -16.722 431 H SER 55 H SER 55 9.003 -1.606 -16.277 432 HA SER 55 HA SER 55 11.855 -0.849 -16.610 433 HB2 SER 55 HB2 SER 55 11.134 0.187 -14.500 434 HB3 SER 55 HB3 SER 55 10.495 -1.370 -13.919 435 HG SER 55 HG SER 55 12.783 -0.520 -13.419 436 H LEU 56 H LEU 56 13.294 -2.546 -16.615 437 HA LEU 56 HA LEU 56 12.353 -5.157 -17.264 438 HB2 LEU 56 HB2 LEU 56 14.557 -4.051 -17.892 439 HB3 LEU 56 HB3 LEU 56 15.097 -4.283 -16.234 440 HG LEU 56 HG LEU 56 16.136 -5.793 -17.788 441 HD11 LEU 56 HD11 LEU 56 15.621 -6.487 -15.352 442 HD12 LEU 56 HD12 LEU 56 16.144 -7.731 -16.536 443 HD13 LEU 56 HD13 LEU 56 14.444 -7.621 -16.124 444 HD21 LEU 56 HD21 LEU 56 14.284 -5.979 -19.387 445 HD22 LEU 56 HD22 LEU 56 14.868 -7.537 -18.881 446 HD23 LEU 56 HD23 LEU 56 13.388 -6.953 -18.196 447 H VAL 57 H VAL 57 13.446 -3.549 -14.327 448 HA VAL 57 HA VAL 57 13.979 -5.752 -12.651 449 HB VAL 57 HB VAL 57 12.922 -2.940 -12.003 450 HG11 VAL 57 HG11 VAL 57 13.999 -3.247 -9.825 451 HG12 VAL 57 HG12 VAL 57 14.387 -4.931 -10.265 452 HG13 VAL 57 HG13 VAL 57 12.684 -4.426 -10.067 453 HG21 VAL 57 HG21 VAL 57 15.013 -2.810 -13.256 454 HG22 VAL 57 HG22 VAL 57 15.730 -4.041 -12.189 455 HG23 VAL 57 HG23 VAL 57 15.319 -2.419 -11.570 456 H CYS 58 H CYS 58 10.854 -4.106 -13.382 457 HA CYS 58 HA CYS 58 9.500 -6.151 -11.625 458 HB2 CYS 58 HB2 CYS 58 8.544 -3.453 -12.658 459 HB3 CYS 58 HB3 CYS 58 7.598 -4.561 -11.662 460 HG CYS 58 HG CYS 58 8.464 -2.431 -10.306 461 H LYS 59 H LYS 59 10.293 -5.936 -14.768 462 HA LYS 59 HA LYS 59 7.807 -5.933 -16.108 463 HB2 LYS 59 HB2 LYS 59 10.041 -5.595 -17.069 464 HB3 LYS 59 HB3 LYS 59 10.277 -7.347 -17.086 465 HG2 LYS 59 HG2 LYS 59 8.394 -7.565 -18.721 466 HG3 LYS 59 HG3 LYS 59 8.026 -5.828 -18.440 467 HD2 LYS 59 HD2 LYS 59 9.158 -5.940 -20.551 468 HD3 LYS 59 HD3 LYS 59 10.325 -5.297 -19.351 469 HE2 LYS 59 HE2 LYS 59 11.338 -7.509 -19.149 470 HE3 LYS 59 HE3 LYS 59 10.159 -8.135 -20.354 471 HZ1 LYS 59 HZ1 LYS 59 12.264 -7.544 -21.400 472 HZ2 LYS 59 HZ2 LYS 59 12.141 -5.999 -20.858 473 HZ3 LYS 59 HZ3 LYS 59 11.078 -6.554 -21.969 474 H ASP 60 H ASP 60 9.511 -8.720 -14.642 475 HA ASP 60 HA ASP 60 7.211 -10.408 -15.498 476 HB2 ASP 60 HB2 ASP 60 9.980 -11.088 -14.363 477 HB3 ASP 60 HB3 ASP 60 8.673 -12.298 -14.628 478 H ALA 61 H ALA 61 7.571 -8.344 -13.080 479 HA ALA 61 HA ALA 61 7.270 -9.985 -10.780 480 HB1 ALA 61 HB1 ALA 61 6.351 -7.093 -11.167 481 HB2 ALA 61 HB2 ALA 61 6.637 -7.922 -9.619 482 HB3 ALA 61 HB3 ALA 61 8.009 -7.605 -10.706 483 H ILE 62 H ILE 62 5.420 -10.446 -9.561 484 HA ILE 62 HA ILE 62 2.834 -10.346 -10.993 485 HB ILE 62 HB ILE 62 3.832 -12.304 -8.890 486 HG12 ILE 62 HG12 ILE 62 3.261 -12.905 -11.826 487 HG13 ILE 62 HG13 ILE 62 4.872 -12.576 -11.190 488 HG21 ILE 62 HG21 ILE 62 1.192 -12.238 -10.456 489 HG22 ILE 62 HG22 ILE 62 1.738 -13.585 -9.390 490 HG23 ILE 62 HG23 ILE 62 1.408 -12.012 -8.703 491 HD11 ILE 62 HD11 ILE 62 4.538 -15.013 -11.388 492 HD12 ILE 62 HD12 ILE 62 3.164 -14.939 -10.299 493 HD13 ILE 62 HD13 ILE 62 4.783 -14.566 -9.690 494 H LEU 63 H LEU 63 1.259 -9.088 -10.024 495 HA LEU 63 HA LEU 63 1.875 -8.029 -7.325 496 HB2 LEU 63 HB2 LEU 63 1.545 -6.588 -9.264 497 HB3 LEU 63 HB3 LEU 63 -0.072 -7.227 -9.474 498 HG LEU 63 HG LEU 63 0.033 -4.914 -8.605 499 HD11 LEU 63 HD11 LEU 63 -1.714 -5.025 -7.127 500 HD12 LEU 63 HD12 LEU 63 -1.196 -6.566 -6.462 501 HD13 LEU 63 HD13 LEU 63 -1.843 -6.529 -8.096 502 HD21 LEU 63 HD21 LEU 63 0.796 -4.476 -6.303 503 HD22 LEU 63 HD22 LEU 63 2.108 -5.253 -7.206 504 HD23 LEU 63 HD23 LEU 63 1.149 -6.180 -6.065 505 H ASP 64 H ASP 64 0.674 -8.405 -5.535 506 HA ASP 64 HA ASP 64 -2.035 -9.596 -5.849 507 HB2 ASP 64 HB2 ASP 64 -0.327 -11.394 -5.451 508 HB3 ASP 64 HB3 ASP 64 0.051 -10.631 -3.920 509 H ILE 65 H ILE 65 -3.479 -8.508 -4.633 510 HA ILE 65 HA ILE 65 -2.433 -6.548 -2.619 511 HB ILE 65 HB ILE 65 -5.267 -6.894 -3.784 512 HG12 ILE 65 HG12 ILE 65 -3.186 -4.744 -4.407 513 HG13 ILE 65 HG13 ILE 65 -3.452 -6.152 -5.419 514 HG21 ILE 65 HG21 ILE 65 -5.529 -4.508 -2.793 515 HG22 ILE 65 HG22 ILE 65 -4.041 -4.785 -1.900 516 HG23 ILE 65 HG23 ILE 65 -5.443 -5.844 -1.617 517 HD11 ILE 65 HD11 ILE 65 -4.642 -4.255 -6.389 518 HD12 ILE 65 HD12 ILE 65 -5.470 -3.935 -4.852 519 HD13 ILE 65 HD13 ILE 65 -5.827 -5.400 -5.782 520 H VAL 66 H VAL 66 -2.746 -6.696 -0.557 521 HA VAL 66 HA VAL 66 -4.515 -8.845 0.534 522 HB VAL 66 HB VAL 66 -2.087 -7.522 1.853 523 HG11 VAL 66 HG11 VAL 66 -3.874 -9.746 2.889 524 HG12 VAL 66 HG12 VAL 66 -3.766 -8.084 3.535 525 HG13 VAL 66 HG13 VAL 66 -2.375 -9.184 3.638 526 HG21 VAL 66 HG21 VAL 66 -1.069 -9.800 1.685 527 HG22 VAL 66 HG22 VAL 66 -1.396 -9.064 0.094 528 HG23 VAL 66 HG23 VAL 66 -2.444 -10.330 0.747 529 H ASP 67 H ASP 67 -6.303 -8.122 1.644 530 HA ASP 67 HA ASP 67 -6.785 -5.281 1.886 531 HB2 ASP 67 HB2 ASP 67 -8.297 -7.784 2.889 532 HB3 ASP 67 HB3 ASP 67 -8.871 -6.127 3.154 533 H GLU 68 H GLU 68 -6.517 -3.961 3.716 534 HA GLU 68 HA GLU 68 -5.727 -5.347 6.260 535 HB2 GLU 68 HB2 GLU 68 -4.429 -2.853 5.023 536 HB3 GLU 68 HB3 GLU 68 -4.131 -3.473 6.630 537 HG2 GLU 68 HG2 GLU 68 -3.366 -5.636 5.576 538 HG3 GLU 68 HG3 GLU 68 -3.513 -4.864 4.002 539 H LYS 69 H LYS 69 -6.235 -4.384 8.173 540 HA LYS 69 HA LYS 69 -8.635 -2.654 8.151 541 HB2 LYS 69 HB2 LYS 69 -7.012 -4.061 10.286 542 HB3 LYS 69 HB3 LYS 69 -8.279 -2.904 10.681 543 HG2 LYS 69 HG2 LYS 69 -9.272 -5.027 10.861 544 HG3 LYS 69 HG3 LYS 69 -9.949 -4.213 9.457 545 HD2 LYS 69 HD2 LYS 69 -9.670 -6.535 8.902 546 HD3 LYS 69 HD3 LYS 69 -8.400 -5.667 8.020 547 HE2 LYS 69 HE2 LYS 69 -6.817 -6.354 9.815 548 HE3 LYS 69 HE3 LYS 69 -8.112 -7.243 10.633 549 HZ1 LYS 69 HZ1 LYS 69 -7.112 -7.805 7.951 550 HZ2 LYS 69 HZ2 LYS 69 -8.420 -8.518 8.591 551 HZ3 LYS 69 HZ3 LYS 69 -6.943 -8.719 9.258 552 H VAL 70 H VAL 70 -8.779 -0.733 9.343 553 HA VAL 70 HA VAL 70 -6.519 1.057 8.910 554 HB VAL 70 HB VAL 70 -8.092 2.887 9.405 555 HG11 VAL 70 HG11 VAL 70 -8.075 1.823 7.146 556 HG12 VAL 70 HG12 VAL 70 -9.427 0.780 7.652 557 HG13 VAL 70 HG13 VAL 70 -9.619 2.540 7.574 558 HG21 VAL 70 HG21 VAL 70 -10.456 2.420 9.970 559 HG22 VAL 70 HG22 VAL 70 -9.407 1.768 11.199 560 HG23 VAL 70 HG23 VAL 70 -10.112 0.660 10.002 561 H GLU 71 H GLU 71 -5.786 2.674 10.295 562 HA GLU 71 HA GLU 71 -6.026 2.156 13.236 563 HB2 GLU 71 HB2 GLU 71 -3.725 1.588 12.347 564 HB3 GLU 71 HB3 GLU 71 -3.644 3.266 11.764 565 HG2 GLU 71 HG2 GLU 71 -3.876 4.143 14.016 566 HG3 GLU 71 HG3 GLU 71 -3.896 2.536 14.673 567 H LEU 72 H LEU 72 -6.382 4.056 14.426 568 HA LEU 72 HA LEU 72 -6.943 6.442 12.763 569 HB2 LEU 72 HB2 LEU 72 -8.541 5.398 15.093 570 HB3 LEU 72 HB3 LEU 72 -8.827 6.943 14.288 571 HG LEU 72 HG LEU 72 -9.203 4.200 12.987 572 HD11 LEU 72 HD11 LEU 72 -10.849 4.613 14.769 573 HD12 LEU 72 HD12 LEU 72 -11.222 6.182 14.080 574 HD13 LEU 72 HD13 LEU 72 -11.585 4.708 13.139 575 HD21 LEU 72 HD21 LEU 72 -10.377 5.537 11.280 576 HD22 LEU 72 HD22 LEU 72 -8.633 5.954 11.392 577 HD23 LEU 72 HD23 LEU 72 -9.836 7.044 12.076 578 H GLU 73 H GLU 73 -6.636 8.369 13.528 579 HA GLU 73 HA GLU 73 -5.421 8.699 16.288 580 HB2 GLU 73 HB2 GLU 73 -3.643 8.815 14.604 581 HB3 GLU 73 HB3 GLU 73 -4.622 9.995 13.655 582 HG2 GLU 73 HG2 GLU 73 -4.453 11.661 15.414 583 HG3 GLU 73 HG3 GLU 73 -3.506 10.591 16.426 584 H CYS 74 H CYS 74 -6.200 10.501 17.302 585 HA CYS 74 HA CYS 74 -8.520 11.802 15.989 586 HB2 CYS 74 HB2 CYS 74 -8.777 10.547 18.116 587 HB3 CYS 74 HB3 CYS 74 -7.678 11.665 18.930 588 H LYS 75 H LYS 75 -8.340 13.992 15.603 589 HA LYS 75 HA LYS 75 -5.799 15.334 15.633 590 HB2 LYS 75 HB2 LYS 75 -8.609 16.530 15.395 591 HB3 LYS 75 HB3 LYS 75 -7.090 17.379 15.161 592 HG2 LYS 75 HG2 LYS 75 -6.445 15.716 13.417 593 HG3 LYS 75 HG3 LYS 75 -8.042 15.007 13.502 594 HD2 LYS 75 HD2 LYS 75 -8.060 16.442 11.659 595 HD3 LYS 75 HD3 LYS 75 -8.930 17.311 12.935 596 HE2 LYS 75 HE2 LYS 75 -6.824 18.534 13.447 597 HE3 LYS 75 HE3 LYS 75 -6.019 17.661 12.140 598 HZ1 LYS 75 HZ1 LYS 75 -8.251 19.534 11.715 599 HZ2 LYS 75 HZ2 LYS 75 -6.684 19.832 11.336 600 HZ3 LYS 75 HZ3 LYS 75 -7.530 18.657 10.541 601 H ASP 76 H ASP 76 -5.366 17.188 17.176 602 HA ASP 76 HA ASP 76 -4.407 15.826 19.149 603 HB2 ASP 76 HB2 ASP 76 -5.337 18.688 19.506 604 HB3 ASP 76 HB3 ASP 76 -4.216 17.867 20.561 605 H CYS 77 H CYS 77 -5.383 14.357 19.899 606 HA CYS 77 HA CYS 77 -6.539 14.500 22.561 607 HB2 CYS 77 HB2 CYS 77 -8.541 14.613 21.141 608 HB3 CYS 77 HB3 CYS 77 -7.928 13.309 20.186 609 H SER 78 H SER 78 -4.473 13.275 23.194 610 HA SER 78 HA SER 78 -3.430 11.472 21.125 611 HB2 SER 78 HB2 SER 78 -1.955 12.799 22.680 612 HB3 SER 78 HB3 SER 78 -2.572 11.758 23.990 613 HG SER 78 HG SER 78 -0.625 10.890 23.215 614 H HIS 79 H HIS 79 -4.509 9.891 20.609 615 HA HIS 79 HA HIS 79 -5.091 7.704 22.457 616 HB2 HIS 79 HB2 HIS 79 -7.121 9.105 20.811 617 HB3 HIS 79 HB3 HIS 79 -7.345 7.475 21.417 618 HD1 HIS 79 HD1 HIS 79 -7.228 11.020 22.700 619 HD2 HIS 79 HD2 HIS 79 -7.624 7.106 24.147 620 HE1 HIS 79 HE1 HIS 79 -7.963 11.198 25.172 621 HE2 HIS 79 HE2 HIS 79 -8.225 8.837 25.986 622 H VAL 80 H VAL 80 -3.121 7.748 20.017 623 HA VAL 80 HA VAL 80 -4.804 6.802 17.883 624 HB VAL 80 HB VAL 80 -1.736 6.482 18.279 625 HG11 VAL 80 HG11 VAL 80 -3.344 6.446 15.673 626 HG12 VAL 80 HG12 VAL 80 -1.590 6.376 15.787 627 HG13 VAL 80 HG13 VAL 80 -2.551 5.029 16.438 628 HG21 VAL 80 HG21 VAL 80 -3.437 8.729 17.357 629 HG22 VAL 80 HG22 VAL 80 -1.849 8.539 16.654 630 HG23 VAL 80 HG23 VAL 80 -1.999 8.727 18.379 631 H PHE 81 H PHE 81 -5.251 4.865 17.157 632 HA PHE 81 HA PHE 81 -4.419 2.373 18.486 633 HB2 PHE 81 HB2 PHE 81 -6.598 2.034 19.498 634 HB3 PHE 81 HB3 PHE 81 -6.072 3.638 20.037 635 HD1 PHE 81 HD1 PHE 81 -6.911 5.670 18.411 636 HD2 PHE 81 HD2 PHE 81 -8.783 1.832 18.687 637 HE1 PHE 81 HE1 PHE 81 -9.063 6.669 17.614 638 HE2 PHE 81 HE2 PHE 81 -10.904 2.827 17.818 639 HZ PHE 81 HZ PHE 81 -11.035 5.221 17.256 640 H LYS 82 H LYS 82 -5.991 0.563 17.776 641 HA LYS 82 HA LYS 82 -6.989 1.116 14.984 642 HB2 LYS 82 HB2 LYS 82 -6.270 -1.575 16.343 643 HB3 LYS 82 HB3 LYS 82 -7.125 -1.442 14.866 644 HG2 LYS 82 HG2 LYS 82 -4.977 -1.924 14.180 645 HG3 LYS 82 HG3 LYS 82 -5.204 -0.220 13.827 646 HD2 LYS 82 HD2 LYS 82 -3.880 0.339 15.826 647 HD3 LYS 82 HD3 LYS 82 -3.694 -1.395 16.144 648 HE2 LYS 82 HE2 LYS 82 -2.619 -1.686 13.937 649 HE3 LYS 82 HE3 LYS 82 -2.754 0.067 13.642 650 HZ1 LYS 82 HZ1 LYS 82 -0.554 -0.687 14.506 651 HZ2 LYS 82 HZ2 LYS 82 -1.265 -0.977 15.948 652 HZ3 LYS 82 HZ3 LYS 82 -1.241 0.548 15.330 653 HA PRO 83 HA PRO 83 -10.902 0.886 17.103 654 HB2 PRO 83 HB2 PRO 83 -12.641 0.895 14.944 655 HB3 PRO 83 HB3 PRO 83 -11.774 2.317 15.459 656 HG2 PRO 83 HG2 PRO 83 -10.975 0.322 13.350 657 HG3 PRO 83 HG3 PRO 83 -11.145 2.145 13.217 658 HD2 PRO 83 HD2 PRO 83 -8.739 0.985 13.631 659 HD3 PRO 83 HD3 PRO 83 -9.174 2.491 14.489 660 H ASN 84 H ASN 84 -12.359 -0.818 17.664 661 HA ASN 84 HA ASN 84 -11.739 -3.433 16.280 662 HB2 ASN 84 HB2 ASN 84 -12.505 -2.903 19.178 663 HB3 ASN 84 HB3 ASN 84 -12.201 -4.486 18.471 664 HD21 ASN 84 HD21 ASN 84 -10.833 -2.490 20.462 665 HD22 ASN 84 HD22 ASN 84 -9.140 -2.706 20.082 666 H ALA 85 H ALA 85 -14.316 -1.301 16.325 667 HA ALA 85 HA ALA 85 -16.296 -3.497 16.053 668 HB1 ALA 85 HB1 ALA 85 -17.841 -2.510 17.578 669 HB2 ALA 85 HB2 ALA 85 -16.805 -1.054 17.796 670 HB3 ALA 85 HB3 ALA 85 -16.303 -2.639 18.449 671 H LEU 86 H LEU 86 -18.339 -1.244 16.226 672 HA LEU 86 HA LEU 86 -18.096 -0.417 13.407 673 HB2 LEU 86 HB2 LEU 86 -20.344 -0.179 15.450 674 HB3 LEU 86 HB3 LEU 86 -20.435 0.277 13.726 675 HG LEU 86 HG LEU 86 -19.855 -2.512 14.729 676 HD11 LEU 86 HD11 LEU 86 -22.403 -1.245 13.694 677 HD12 LEU 86 HD12 LEU 86 -22.190 -2.984 13.964 678 HD13 LEU 86 HD13 LEU 86 -22.113 -1.863 15.360 679 HD21 LEU 86 HD21 LEU 86 -20.535 -3.079 12.282 680 HD22 LEU 86 HD22 LEU 86 -18.957 -2.314 12.524 681 HD23 LEU 86 HD23 LEU 86 -20.314 -1.364 11.956 682 H ASP 87 H ASP 87 -16.612 0.542 15.823 683 HA ASP 87 HA ASP 87 -17.430 3.326 16.253 684 HB2 ASP 87 HB2 ASP 87 -15.646 3.374 17.896 685 HB3 ASP 87 HB3 ASP 87 -16.661 1.924 18.107 686 H TYR 88 H TYR 88 -16.384 2.196 13.573 687 HA TYR 88 HA TYR 88 -13.845 3.424 13.117 688 HB2 TYR 88 HB2 TYR 88 -16.089 2.887 11.156 689 HB3 TYR 88 HB3 TYR 88 -14.444 3.369 10.732 690 HD1 TYR 88 HD1 TYR 88 -12.536 1.867 11.184 691 HD2 TYR 88 HD2 TYR 88 -16.614 0.547 11.553 692 HE1 TYR 88 HE1 TYR 88 -11.816 -0.563 11.051 693 HE2 TYR 88 HE2 TYR 88 -15.889 -1.809 11.372 694 HH TYR 88 HH TYR 88 -12.482 -2.813 11.325 695 H GLY 89 H GLY 89 -13.331 5.515 12.331 696 HA2 GLY 89 HA2 GLY 89 -13.737 7.618 11.411 697 HA3 GLY 89 HA3 GLY 89 -15.473 7.346 11.518 698 H VAL 90 H VAL 90 -14.188 6.646 14.570 699 HA VAL 90 HA VAL 90 -14.140 9.491 15.452 700 HB VAL 90 HB VAL 90 -15.608 8.957 17.392 701 HG11 VAL 90 HG11 VAL 90 -17.116 8.334 14.851 702 HG12 VAL 90 HG12 VAL 90 -17.681 9.212 16.326 703 HG13 VAL 90 HG13 VAL 90 -16.487 9.966 15.223 704 HG21 VAL 90 HG21 VAL 90 -15.326 6.450 17.412 705 HG22 VAL 90 HG22 VAL 90 -16.249 6.355 15.969 706 HG23 VAL 90 HG23 VAL 90 -17.033 6.928 17.449 707 H CYS 91 H CYS 91 -13.250 9.627 17.647 708 HA CYS 91 HA CYS 91 -10.957 7.866 18.070 709 HB2 CYS 91 HB2 CYS 91 -11.114 10.353 18.570 710 HB3 CYS 91 HB3 CYS 91 -12.283 9.959 19.858 711 H GLU 92 H GLU 92 -10.882 6.381 20.123 712 HA GLU 92 HA GLU 92 -13.597 5.352 20.438 713 HB2 GLU 92 HB2 GLU 92 -12.806 3.328 21.196 714 HB3 GLU 92 HB3 GLU 92 -11.624 3.801 19.944 715 HG2 GLU 92 HG2 GLU 92 -11.291 4.054 22.968 716 HG3 GLU 92 HG3 GLU 92 -10.745 2.668 22.049 717 H LYS 93 H LYS 93 -11.329 7.117 22.381 718 HA LYS 93 HA LYS 93 -13.005 6.612 24.796 719 HB2 LYS 93 HB2 LYS 93 -10.264 7.848 24.551 720 HB3 LYS 93 HB3 LYS 93 -11.140 7.588 26.056 721 HG2 LYS 93 HG2 LYS 93 -11.228 5.170 25.570 722 HG3 LYS 93 HG3 LYS 93 -10.276 5.455 24.115 723 HD2 LYS 93 HD2 LYS 93 -8.461 6.216 25.536 724 HD3 LYS 93 HD3 LYS 93 -9.446 5.849 26.963 725 HE2 LYS 93 HE2 LYS 93 -9.600 3.513 26.277 726 HE3 LYS 93 HE3 LYS 93 -8.672 3.876 24.825 727 HZ1 LYS 93 HZ1 LYS 93 -7.726 4.098 27.609 728 HZ2 LYS 93 HZ2 LYS 93 -6.766 4.470 26.296 729 HZ3 LYS 93 HZ3 LYS 93 -7.306 2.920 26.556 730 H CYS 94 H CYS 94 -12.768 8.888 22.378 731 HA CYS 94 HA CYS 94 -14.654 10.488 23.915 732 HB2 CYS 94 HB2 CYS 94 -13.988 12.627 23.030 733 HB3 CYS 94 HB3 CYS 94 -12.480 11.875 23.719 734 H HIS 95 H HIS 95 -16.199 11.277 21.916 735 HA HIS 95 HA HIS 95 -15.692 9.369 19.628 736 HB2 HIS 95 HB2 HIS 95 -18.334 10.100 20.906 737 HB3 HIS 95 HB3 HIS 95 -18.181 9.172 19.430 738 HD1 HIS 95 HD1 HIS 95 -19.534 8.021 21.963 739 HD2 HIS 95 HD2 HIS 95 -15.560 7.333 20.833 740 HE1 HIS 95 HE1 HIS 95 -18.753 5.896 23.148 741 HE2 HIS 95 HE2 HIS 95 -16.356 5.477 22.469 742 H SER 96 H SER 96 -14.587 11.769 19.829 743 HA SER 96 HA SER 96 -16.178 13.857 18.650 744 HB2 SER 96 HB2 SER 96 -14.211 14.300 20.053 745 HB3 SER 96 HB3 SER 96 -13.170 13.521 18.853 746 HG SER 96 HG SER 96 -13.658 15.128 17.402 747 H LYS 97 H LYS 97 -16.283 14.620 16.646 748 HA LYS 97 HA LYS 97 -15.564 12.943 14.321 749 HB2 LYS 97 HB2 LYS 97 -16.684 15.778 14.607 750 HB3 LYS 97 HB3 LYS 97 -16.460 14.910 13.089 751 HG2 LYS 97 HG2 LYS 97 -18.023 13.126 13.916 752 HG3 LYS 97 HG3 LYS 97 -18.321 14.057 15.416 753 HD2 LYS 97 HD2 LYS 97 -20.112 14.464 13.862 754 HD3 LYS 97 HD3 LYS 97 -19.137 15.935 13.895 755 HE2 LYS 97 HE2 LYS 97 -18.070 15.255 11.763 756 HE3 LYS 97 HE3 LYS 97 -19.087 13.817 11.707 757 HZ1 LYS 97 HZ1 LYS 97 -21.044 15.336 11.696 758 HZ2 LYS 97 HZ2 LYS 97 -20.061 15.569 10.370 759 HZ3 LYS 97 HZ3 LYS 97 -20.027 16.638 11.650 760 H ASN 98 H ASN 98 -14.225 14.016 12.627 761 HA ASN 98 HA ASN 98 -12.203 14.774 11.869 762 HB2 ASN 98 HB2 ASN 98 -12.112 16.565 14.331 763 HB3 ASN 98 HB3 ASN 98 -11.076 16.668 12.919 764 HD21 ASN 98 HD21 ASN 98 -13.294 18.311 14.356 765 HD22 ASN 98 HD22 ASN 98 -14.233 18.892 13.015 766 H VAL 99 H VAL 99 -11.980 12.503 12.549 767 HA VAL 99 HA VAL 99 -9.392 12.334 13.984 768 HB VAL 99 HB VAL 99 -9.776 9.904 14.187 769 HG11 VAL 99 HG11 VAL 99 -12.187 11.276 15.338 770 HG12 VAL 99 HG12 VAL 99 -11.168 10.041 16.080 771 HG13 VAL 99 HG13 VAL 99 -10.587 11.712 15.920 772 HG21 VAL 99 HG21 VAL 99 -12.606 10.462 13.213 773 HG22 VAL 99 HG22 VAL 99 -11.347 9.623 12.295 774 HG23 VAL 99 HG23 VAL 99 -11.955 8.930 13.783 775 H ILE 100 H ILE 100 -7.918 10.867 12.794 776 HA ILE 100 HA ILE 100 -8.582 10.850 9.886 777 HB ILE 100 HB ILE 100 -6.269 11.574 9.354 778 HG12 ILE 100 HG12 ILE 100 -5.909 12.045 12.336 779 HG13 ILE 100 HG13 ILE 100 -5.249 10.654 11.477 780 HG21 ILE 100 HG21 ILE 100 -6.463 13.922 10.019 781 HG22 ILE 100 HG22 ILE 100 -7.532 13.516 11.354 782 HG23 ILE 100 HG23 ILE 100 -8.100 13.312 9.706 783 HD11 ILE 100 HD11 ILE 100 -4.495 13.565 11.095 784 HD12 ILE 100 HD12 ILE 100 -3.952 12.250 10.048 785 HD13 ILE 100 HD13 ILE 100 -3.494 12.242 11.756 786 H ILE 101 H ILE 101 -7.885 9.128 8.755 787 HA ILE 101 HA ILE 101 -7.120 6.731 10.258 788 HB ILE 101 HB ILE 101 -7.329 7.231 7.265 789 HG12 ILE 101 HG12 ILE 101 -9.230 5.756 9.063 790 HG13 ILE 101 HG13 ILE 101 -9.462 7.429 8.589 791 HG21 ILE 101 HG21 ILE 101 -7.285 4.802 7.030 792 HG22 ILE 101 HG22 ILE 101 -7.119 4.637 8.803 793 HG23 ILE 101 HG23 ILE 101 -5.821 5.376 7.827 794 HD11 ILE 101 HD11 ILE 101 -9.478 6.723 6.214 795 HD12 ILE 101 HD12 ILE 101 -10.821 6.100 7.171 796 HD13 ILE 101 HD13 ILE 101 -9.444 5.044 6.761 797 H THR 102 H THR 102 -4.988 6.182 10.679 798 HA THR 102 HA THR 102 -2.930 7.870 9.362 799 HB THR 102 HB THR 102 -1.436 6.997 11.118 800 HG1 THR 102 HG1 THR 102 -2.173 5.454 12.445 801 HG21 THR 102 HG21 THR 102 -2.426 8.163 12.932 802 HG22 THR 102 HG22 THR 102 -4.096 7.982 12.258 803 HG23 THR 102 HG23 THR 102 -2.886 9.016 11.497 804 H GLN 103 H GLN 103 -3.962 4.529 9.834 805 HA GLN 103 HA GLN 103 -2.121 3.751 7.633 806 HB2 GLN 103 HB2 GLN 103 -2.602 2.137 10.113 807 HB3 GLN 103 HB3 GLN 103 -1.750 1.607 8.718 808 HG2 GLN 103 HG2 GLN 103 -0.102 3.439 9.022 809 HG3 GLN 103 HG3 GLN 103 -0.929 3.847 10.521 810 HE21 GLN 103 HE21 GLN 103 -0.206 2.867 12.289 811 HE22 GLN 103 HE22 GLN 103 0.718 1.384 12.349 812 H GLY 104 H GLY 104 -3.024 2.229 6.220 813 HA2 GLY 104 HA2 GLY 104 -4.813 0.876 5.434 814 HA3 GLY 104 HA3 GLY 104 -5.791 1.381 6.830 815 H ASN 105 H ASN 105 -4.240 4.042 5.422 816 HA ASN 105 HA ASN 105 -6.728 4.771 3.899 817 HB2 ASN 105 HB2 ASN 105 -5.703 6.307 5.693 818 HB3 ASN 105 HB3 ASN 105 -4.323 6.489 4.611 819 HD21 ASN 105 HD21 ASN 105 -4.421 8.478 3.857 820 HD22 ASN 105 HD22 ASN 105 -5.849 9.225 3.156 821 H GLU 106 H GLU 106 -3.461 3.767 3.505 822 HA GLU 106 HA GLU 106 -3.558 4.433 0.610 823 HB2 GLU 106 HB2 GLU 106 -1.423 5.517 0.650 824 HB3 GLU 106 HB3 GLU 106 -2.494 6.324 1.784 825 HG2 GLU 106 HG2 GLU 106 -1.410 5.158 3.619 826 HG3 GLU 106 HG3 GLU 106 -0.299 4.403 2.443 827 H MET 107 H MET 107 -1.489 3.507 -0.455 828 HA MET 107 HA MET 107 -1.460 0.682 -0.085 829 HB2 MET 107 HB2 MET 107 -1.099 1.921 -2.199 830 HB3 MET 107 HB3 MET 107 0.447 2.497 -1.545 831 HG2 MET 107 HG2 MET 107 1.281 0.134 -1.576 832 HG3 MET 107 HG3 MET 107 -0.291 -0.372 -2.231 833 HE1 MET 107 HE1 MET 107 2.053 2.946 -2.896 834 HE2 MET 107 HE2 MET 107 3.053 2.279 -4.180 835 HE3 MET 107 HE3 MET 107 3.094 1.535 -2.538 836 H ARG 108 H ARG 108 0.133 -0.757 0.588 837 HA ARG 108 HA ARG 108 2.568 0.389 1.893 838 HB2 ARG 108 HB2 ARG 108 0.589 -0.167 3.411 839 HB3 ARG 108 HB3 ARG 108 0.702 -1.833 2.857 840 HG2 ARG 108 HG2 ARG 108 3.038 -1.944 3.868 841 HG3 ARG 108 HG3 ARG 108 2.788 -0.305 4.488 842 HD2 ARG 108 HD2 ARG 108 0.996 -2.728 5.098 843 HD3 ARG 108 HD3 ARG 108 2.212 -2.043 6.218 844 HE ARG 108 HE ARG 108 0.486 0.067 5.454 845 HH11 ARG 108 HH11 ARG 108 -1.268 0.686 6.464 846 HH12 ARG 108 HH12 ARG 108 -1.919 -0.250 7.793 847 HH21 ARG 108 HH21 ARG 108 0.253 -2.859 7.468 848 HH22 ARG 108 HH22 ARG 108 -1.111 -2.199 8.357 849 H LEU 109 H LEU 109 4.424 -1.044 1.532 850 HA LEU 109 HA LEU 109 3.893 -3.387 -0.252 851 HB2 LEU 109 HB2 LEU 109 6.411 -2.007 0.760 852 HB3 LEU 109 HB3 LEU 109 6.520 -3.581 0.055 853 HG LEU 109 HG LEU 109 5.481 -1.206 -1.488 854 HD11 LEU 109 HD11 LEU 109 7.653 -1.230 -2.594 855 HD12 LEU 109 HD12 LEU 109 8.195 -2.501 -1.456 856 HD13 LEU 109 HD13 LEU 109 7.806 -0.892 -0.853 857 HD21 LEU 109 HD21 LEU 109 5.955 -2.763 -3.373 858 HD22 LEU 109 HD22 LEU 109 4.698 -3.401 -2.310 859 HD23 LEU 109 HD23 LEU 109 6.359 -4.026 -2.209 860 H LEU 110 H LEU 110 3.836 -5.491 0.551 861 HA LEU 110 HA LEU 110 4.488 -5.608 3.450 862 HB2 LEU 110 HB2 LEU 110 2.998 -7.611 1.689 863 HB3 LEU 110 HB3 LEU 110 3.168 -7.716 3.439 864 HG LEU 110 HG LEU 110 1.738 -5.535 1.918 865 HD11 LEU 110 HD11 LEU 110 -0.339 -6.691 2.880 866 HD12 LEU 110 HD12 LEU 110 0.726 -7.998 3.398 867 HD13 LEU 110 HD13 LEU 110 0.569 -7.662 1.673 868 HD21 LEU 110 HD21 LEU 110 0.852 -4.732 4.005 869 HD22 LEU 110 HD22 LEU 110 2.618 -4.815 4.156 870 HD23 LEU 110 HD23 LEU 110 1.634 -6.072 4.853 871 H SER 111 H SER 111 5.158 -7.418 0.384 872 HA SER 111 HA SER 111 7.761 -8.267 1.504 873 HB2 SER 111 HB2 SER 111 5.627 -10.233 0.626 874 HB3 SER 111 HB3 SER 111 7.297 -10.674 0.978 875 HG SER 111 HG SER 111 6.262 -9.216 3.001 876 H LEU 112 H LEU 112 9.199 -8.969 -0.241 877 HA LEU 112 HA LEU 112 8.015 -8.778 -2.948 878 HB2 LEU 112 HB2 LEU 112 10.690 -7.598 -2.083 879 HB3 LEU 112 HB3 LEU 112 10.139 -7.746 -3.752 880 HG LEU 112 HG LEU 112 8.333 -6.037 -3.229 881 HD11 LEU 112 HD11 LEU 112 8.934 -4.576 -1.158 882 HD12 LEU 112 HD12 LEU 112 9.645 -6.068 -0.513 883 HD13 LEU 112 HD13 LEU 112 7.915 -6.018 -0.949 884 HD21 LEU 112 HD21 LEU 112 10.482 -5.458 -4.282 885 HD22 LEU 112 HD22 LEU 112 11.229 -5.217 -2.670 886 HD23 LEU 112 HD23 LEU 112 9.918 -4.145 -3.253 887 H GLU 113 H GLU 113 8.883 -10.370 -4.371 888 HA GLU 113 HA GLU 113 10.806 -12.287 -3.094 889 HB2 GLU 113 HB2 GLU 113 8.675 -13.257 -3.946 890 HB3 GLU 113 HB3 GLU 113 9.066 -12.701 -5.582 891 HG2 GLU 113 HG2 GLU 113 11.099 -14.085 -5.514 892 HG3 GLU 113 HG3 GLU 113 10.645 -14.562 -3.889 893 H MET 114 H MET 114 12.950 -12.067 -3.863 894 HA MET 114 HA MET 114 13.220 -10.379 -6.334 895 HB2 MET 114 HB2 MET 114 14.731 -10.074 -3.721 896 HB3 MET 114 HB3 MET 114 14.969 -9.049 -5.154 897 HG2 MET 114 HG2 MET 114 12.573 -8.292 -4.946 898 HG3 MET 114 HG3 MET 114 12.465 -9.344 -3.501 899 HE1 MET 114 HE1 MET 114 14.623 -5.347 -3.779 900 HE2 MET 114 HE2 MET 114 13.099 -5.740 -4.567 901 HE3 MET 114 HE3 MET 114 14.576 -6.564 -5.082 902 H LEU 115 H LEU 115 15.093 -10.600 -7.577 903 HA LEU 115 HA LEU 115 16.669 -13.043 -6.920 904 HB2 LEU 115 HB2 LEU 115 16.067 -11.747 -9.595 905 HB3 LEU 115 HB3 LEU 115 17.062 -13.206 -9.382 906 HG LEU 115 HG LEU 115 14.117 -12.967 -8.700 907 HD11 LEU 115 HD11 LEU 115 13.637 -14.295 -10.649 908 HD12 LEU 115 HD12 LEU 115 15.399 -14.418 -11.035 909 HD13 LEU 115 HD13 LEU 115 14.579 -12.866 -11.132 910 HD21 LEU 115 HD21 LEU 115 16.070 -15.301 -8.513 911 HD22 LEU 115 HD22 LEU 115 14.294 -15.532 -8.557 912 HD23 LEU 115 HD23 LEU 115 15.038 -14.601 -7.255 913 H ALA 116 H ALA 116 18.768 -12.934 -6.597 914 HA ALA 116 HA ALA 116 20.010 -10.312 -6.298 915 HB1 ALA 116 HB1 ALA 116 21.266 -13.082 -6.296 916 HB2 ALA 116 HB2 ALA 116 20.528 -12.351 -4.875 917 HB3 ALA 116 HB3 ALA 116 21.969 -11.642 -5.587 918 H GLU 117 H GLU 117 22.093 -9.741 -7.233 919 HA GLU 117 HA GLU 117 22.107 -9.542 -10.053 920 HB2 GLU 117 HB2 GLU 117 24.361 -9.344 -8.082 921 HB3 GLU 117 HB3 GLU 117 24.426 -8.832 -9.761 922 HG2 GLU 117 HG2 GLU 117 22.701 -7.643 -7.558 923 HG3 GLU 117 HG3 GLU 117 24.208 -6.923 -8.261 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -2.938 9.845 -4.742 2 H2 MET 1 H2 MET 1 -2.680 8.304 -4.347 3 H3 MET 1 H3 MET 1 -2.877 9.428 -3.179 4 HA MET 1 HA MET 1 -4.901 8.208 -3.362 5 HB2 MET 1 HB2 MET 1 -5.041 10.651 -2.862 6 HB3 MET 1 HB3 MET 1 -5.138 10.975 -4.598 7 HG2 MET 1 HG2 MET 1 -7.282 9.683 -4.656 8 HG3 MET 1 HG3 MET 1 -7.186 9.423 -2.908 9 HE1 MET 1 HE1 MET 1 -7.605 11.182 -1.156 10 HE2 MET 1 HE2 MET 1 -8.023 12.878 -1.448 11 HE3 MET 1 HE3 MET 1 -6.347 12.340 -1.661 12 H HIS 2 H HIS 2 -3.878 9.802 -6.459 13 HA HIS 2 HA HIS 2 -6.074 8.510 -7.925 14 HB2 HIS 2 HB2 HIS 2 -3.471 9.801 -8.877 15 HB3 HIS 2 HB3 HIS 2 -4.826 9.332 -9.898 16 HD1 HIS 2 HD1 HIS 2 -3.932 12.247 -9.923 17 HD2 HIS 2 HD2 HIS 2 -6.803 10.813 -7.191 18 HE1 HIS 2 HE1 HIS 2 -5.258 14.288 -9.021 19 HE2 HIS 2 HE2 HIS 2 -6.996 13.321 -7.443 20 H GLU 3 H GLU 3 -5.877 6.552 -9.290 21 HA GLU 3 HA GLU 3 -4.188 4.652 -7.968 22 HB2 GLU 3 HB2 GLU 3 -5.625 4.335 -10.650 23 HB3 GLU 3 HB3 GLU 3 -4.974 3.036 -9.649 24 HG2 GLU 3 HG2 GLU 3 -7.190 4.974 -8.886 25 HG3 GLU 3 HG3 GLU 3 -7.373 3.285 -9.306 26 H TYR 4 H TYR 4 -3.944 6.228 -11.148 27 HA TYR 4 HA TYR 4 -1.647 4.640 -11.890 28 HB2 TYR 4 HB2 TYR 4 -2.776 7.252 -12.980 29 HB3 TYR 4 HB3 TYR 4 -1.385 6.408 -13.685 30 HD1 TYR 4 HD1 TYR 4 -1.649 4.363 -14.939 31 HD2 TYR 4 HD2 TYR 4 -5.079 6.210 -13.143 32 HE1 TYR 4 HE1 TYR 4 -3.116 2.779 -16.154 33 HE2 TYR 4 HE2 TYR 4 -6.560 4.561 -14.350 34 HH TYR 4 HH TYR 4 -5.278 2.086 -16.551 35 H SER 5 H SER 5 -2.074 7.670 -10.086 36 HA SER 5 HA SER 5 0.731 8.339 -10.217 37 HB2 SER 5 HB2 SER 5 -0.972 10.086 -9.642 38 HB3 SER 5 HB3 SER 5 -1.358 9.204 -8.176 39 HG SER 5 HG SER 5 0.111 10.930 -7.829 40 H VAL 6 H VAL 6 -1.266 6.438 -7.957 41 HA VAL 6 HA VAL 6 0.847 6.107 -5.999 42 HB VAL 6 HB VAL 6 -1.692 4.450 -6.512 43 HG11 VAL 6 HG11 VAL 6 -0.089 3.108 -5.312 44 HG12 VAL 6 HG12 VAL 6 0.300 4.469 -4.209 45 HG13 VAL 6 HG13 VAL 6 -1.307 3.727 -4.147 46 HG21 VAL 6 HG21 VAL 6 -1.781 7.004 -5.792 47 HG22 VAL 6 HG22 VAL 6 -1.286 6.373 -4.195 48 HG23 VAL 6 HG23 VAL 6 -2.811 5.804 -4.942 49 H VAL 7 H VAL 7 -0.348 4.207 -8.841 50 HA VAL 7 HA VAL 7 1.495 2.039 -8.356 51 HB VAL 7 HB VAL 7 0.124 2.848 -10.933 52 HG11 VAL 7 HG11 VAL 7 0.741 0.601 -11.717 53 HG12 VAL 7 HG12 VAL 7 1.648 0.320 -10.188 54 HG13 VAL 7 HG13 VAL 7 2.202 1.552 -11.357 55 HG21 VAL 7 HG21 VAL 7 -0.415 0.604 -8.949 56 HG22 VAL 7 HG22 VAL 7 -1.364 0.949 -10.408 57 HG23 VAL 7 HG23 VAL 7 -1.385 2.077 -9.025 58 H SER 8 H SER 8 1.687 5.079 -10.272 59 HA SER 8 HA SER 8 4.265 4.388 -11.394 60 HB2 SER 8 HB2 SER 8 2.902 6.344 -12.179 61 HB3 SER 8 HB3 SER 8 3.146 7.164 -10.616 62 HG SER 8 HG SER 8 4.635 7.909 -12.103 63 H SER 9 H SER 9 3.276 5.656 -8.236 64 HA SER 9 HA SER 9 6.008 6.294 -7.431 65 HB2 SER 9 HB2 SER 9 3.984 7.337 -6.349 66 HB3 SER 9 HB3 SER 9 3.511 5.765 -5.747 67 HG SER 9 HG SER 9 5.166 7.474 -4.670 68 H LEU 10 H LEU 10 3.800 3.584 -7.231 69 HA LEU 10 HA LEU 10 5.215 1.880 -5.461 70 HB2 LEU 10 HB2 LEU 10 2.916 1.446 -6.194 71 HB3 LEU 10 HB3 LEU 10 3.484 1.161 -7.815 72 HG LEU 10 HG LEU 10 4.655 -0.825 -7.120 73 HD11 LEU 10 HD11 LEU 10 5.040 -0.268 -4.721 74 HD12 LEU 10 HD12 LEU 10 4.363 -1.877 -5.015 75 HD13 LEU 10 HD13 LEU 10 3.300 -0.613 -4.438 76 HD21 LEU 10 HD21 LEU 10 2.352 -0.793 -7.958 77 HD22 LEU 10 HD22 LEU 10 2.658 -2.168 -6.825 78 HD23 LEU 10 HD23 LEU 10 1.773 -0.731 -6.277 79 H ILE 11 H ILE 11 5.512 2.238 -9.003 80 HA ILE 11 HA ILE 11 7.211 -0.036 -9.241 81 HB ILE 11 HB ILE 11 7.171 2.490 -10.945 82 HG12 ILE 11 HG12 ILE 11 4.968 1.371 -10.984 83 HG13 ILE 11 HG13 ILE 11 5.807 1.174 -12.511 84 HG21 ILE 11 HG21 ILE 11 9.266 1.309 -11.292 85 HG22 ILE 11 HG22 ILE 11 8.197 0.918 -12.685 86 HG23 ILE 11 HG23 ILE 11 8.441 -0.278 -11.355 87 HD11 ILE 11 HD11 ILE 11 4.600 -0.869 -11.852 88 HD12 ILE 11 HD12 ILE 11 6.369 -1.146 -11.947 89 HD13 ILE 11 HD13 ILE 11 5.552 -1.002 -10.375 90 H ALA 12 H ALA 12 7.867 3.435 -8.551 91 HA ALA 12 HA ALA 12 10.736 3.025 -8.596 92 HB1 ALA 12 HB1 ALA 12 9.632 5.278 -8.852 93 HB2 ALA 12 HB2 ALA 12 10.779 5.265 -7.467 94 HB3 ALA 12 HB3 ALA 12 9.027 5.189 -7.213 95 H LEU 13 H LEU 13 8.206 2.861 -6.117 96 HA LEU 13 HA LEU 13 9.946 2.694 -3.884 97 HB2 LEU 13 HB2 LEU 13 7.481 3.145 -3.863 98 HB3 LEU 13 HB3 LEU 13 7.249 1.455 -4.183 99 HG LEU 13 HG LEU 13 8.318 0.885 -2.027 100 HD11 LEU 13 HD11 LEU 13 9.673 2.844 -1.626 101 HD12 LEU 13 HD12 LEU 13 8.414 2.867 -0.361 102 HD13 LEU 13 HD13 LEU 13 8.312 3.939 -1.737 103 HD21 LEU 13 HD21 LEU 13 6.384 1.617 -0.711 104 HD22 LEU 13 HD22 LEU 13 5.978 2.821 -1.913 105 HD23 LEU 13 HD23 LEU 13 5.850 1.111 -2.300 106 H CYS 14 H CYS 14 8.632 0.314 -6.123 107 HA CYS 14 HA CYS 14 9.680 -2.009 -4.755 108 HB2 CYS 14 HB2 CYS 14 8.976 -1.573 -7.701 109 HB3 CYS 14 HB3 CYS 14 9.398 -3.122 -7.008 110 HG CYS 14 HG CYS 14 6.869 -1.203 -6.333 111 H GLU 15 H GLU 15 10.925 0.207 -7.310 112 HA GLU 15 HA GLU 15 13.373 -1.259 -7.607 113 HB2 GLU 15 HB2 GLU 15 12.756 1.656 -8.153 114 HB3 GLU 15 HB3 GLU 15 14.261 0.880 -8.602 115 HG2 GLU 15 HG2 GLU 15 13.011 -0.695 -10.034 116 HG3 GLU 15 HG3 GLU 15 11.520 0.122 -9.657 117 H GLU 16 H GLU 16 12.499 1.402 -5.295 118 HA GLU 16 HA GLU 16 15.266 1.649 -4.523 119 HB2 GLU 16 HB2 GLU 16 14.701 2.979 -2.649 120 HB3 GLU 16 HB3 GLU 16 13.589 3.467 -3.959 121 HG2 GLU 16 HG2 GLU 16 11.845 2.035 -2.876 122 HG3 GLU 16 HG3 GLU 16 12.981 1.680 -1.562 123 H HIS 17 H HIS 17 12.585 -0.468 -3.467 124 HA HIS 17 HA HIS 17 14.081 -1.646 -1.239 125 HB2 HIS 17 HB2 HIS 17 11.758 -2.601 -2.948 126 HB3 HIS 17 HB3 HIS 17 12.507 -3.569 -1.681 127 HD1 HIS 17 HD1 HIS 17 12.286 -2.813 0.816 128 HD2 HIS 17 HD2 HIS 17 10.015 -0.649 -1.918 129 HE1 HIS 17 HE1 HIS 17 10.576 -1.500 2.170 130 HE2 HIS 17 HE2 HIS 17 9.187 -0.238 0.493 131 H ALA 18 H ALA 18 13.960 -2.220 -4.733 132 HA ALA 18 HA ALA 18 15.454 -4.626 -4.651 133 HB1 ALA 18 HB1 ALA 18 15.611 -2.548 -6.847 134 HB2 ALA 18 HB2 ALA 18 14.294 -3.753 -6.691 135 HB3 ALA 18 HB3 ALA 18 15.992 -4.253 -6.991 136 H LYS 19 H LYS 19 16.504 -1.173 -4.628 137 HA LYS 19 HA LYS 19 19.344 -1.735 -4.670 138 HB2 LYS 19 HB2 LYS 19 17.720 0.615 -3.611 139 HB3 LYS 19 HB3 LYS 19 19.482 0.641 -3.786 140 HG2 LYS 19 HG2 LYS 19 19.251 0.421 -6.232 141 HG3 LYS 19 HG3 LYS 19 17.500 0.241 -6.048 142 HD2 LYS 19 HD2 LYS 19 17.794 2.421 -6.761 143 HD3 LYS 19 HD3 LYS 19 17.362 2.469 -5.031 144 HE2 LYS 19 HE2 LYS 19 19.680 2.851 -4.420 145 HE3 LYS 19 HE3 LYS 19 20.135 2.798 -6.128 146 HZ1 LYS 19 HZ1 LYS 19 18.536 4.655 -6.441 147 HZ2 LYS 19 HZ2 LYS 19 19.890 5.033 -5.559 148 HZ3 LYS 19 HZ3 LYS 19 18.434 4.778 -4.805 149 H LYS 20 H LYS 20 16.926 -1.385 -2.117 150 HA LYS 20 HA LYS 20 18.794 -1.352 0.051 151 HB2 LYS 20 HB2 LYS 20 15.915 -2.164 -0.019 152 HB3 LYS 20 HB3 LYS 20 16.858 -2.007 1.458 153 HG2 LYS 20 HG2 LYS 20 17.257 0.299 1.000 154 HG3 LYS 20 HG3 LYS 20 16.325 0.263 -0.483 155 HD2 LYS 20 HD2 LYS 20 14.311 -0.370 0.801 156 HD3 LYS 20 HD3 LYS 20 15.253 -0.229 2.303 157 HE2 LYS 20 HE2 LYS 20 15.695 2.168 1.810 158 HE3 LYS 20 HE3 LYS 20 14.791 2.011 0.317 159 HZ1 LYS 20 HZ1 LYS 20 13.371 2.915 1.901 160 HZ2 LYS 20 HZ2 LYS 20 13.830 1.845 3.093 161 HZ3 LYS 20 HZ3 LYS 20 12.911 1.347 1.836 162 H ASN 21 H ASN 21 17.249 -3.913 -1.776 163 HA ASN 21 HA ASN 21 18.476 -5.838 0.121 164 HB2 ASN 21 HB2 ASN 21 16.005 -5.961 -0.596 165 HB3 ASN 21 HB3 ASN 21 16.633 -6.508 -2.178 166 HD21 ASN 21 HD21 ASN 21 15.986 -8.649 -2.182 167 HD22 ASN 21 HD22 ASN 21 16.422 -9.848 -0.985 168 H GLN 22 H GLN 22 19.491 -4.224 -2.460 169 HA GLN 22 HA GLN 22 21.077 -4.558 -4.111 170 HB2 GLN 22 HB2 GLN 22 21.976 -6.759 -2.206 171 HB3 GLN 22 HB3 GLN 22 22.929 -6.149 -3.565 172 HG2 GLN 22 HG2 GLN 22 22.833 -3.879 -2.541 173 HG3 GLN 22 HG3 GLN 22 22.056 -4.600 -1.144 174 HE21 GLN 22 HE21 GLN 22 24.787 -5.671 -3.139 175 HE22 GLN 22 HE22 GLN 22 25.903 -5.813 -1.798 176 H ALA 23 H ALA 23 18.673 -5.496 -4.769 177 HA ALA 23 HA ALA 23 19.096 -8.131 -6.041 178 HB1 ALA 23 HB1 ALA 23 17.347 -8.225 -4.393 179 HB2 ALA 23 HB2 ALA 23 16.574 -8.282 -5.993 180 HB3 ALA 23 HB3 ALA 23 16.605 -6.760 -5.047 181 H HIS 24 H HIS 24 18.576 -8.456 -8.194 182 HA HIS 24 HA HIS 24 18.400 -5.851 -9.652 183 HB2 HIS 24 HB2 HIS 24 19.372 -6.923 -11.541 184 HB3 HIS 24 HB3 HIS 24 20.311 -7.409 -10.104 185 HD1 HIS 24 HD1 HIS 24 18.425 -8.721 -13.013 186 HD2 HIS 24 HD2 HIS 24 19.645 -10.213 -9.262 187 HE1 HIS 24 HE1 HIS 24 18.252 -11.258 -13.124 188 HE2 HIS 24 HE2 HIS 24 19.050 -12.146 -10.887 189 H LYS 25 H LYS 25 16.322 -8.490 -8.790 190 HA LYS 25 HA LYS 25 14.483 -7.744 -10.937 191 HB2 LYS 25 HB2 LYS 25 16.141 -9.609 -11.602 192 HB3 LYS 25 HB3 LYS 25 15.282 -10.629 -10.487 193 HG2 LYS 25 HG2 LYS 25 14.233 -9.313 -12.960 194 HG3 LYS 25 HG3 LYS 25 14.762 -10.979 -12.810 195 HD2 LYS 25 HD2 LYS 25 12.930 -11.326 -11.153 196 HD3 LYS 25 HD3 LYS 25 12.317 -9.708 -11.570 197 HE2 LYS 25 HE2 LYS 25 12.735 -12.078 -13.446 198 HE3 LYS 25 HE3 LYS 25 11.161 -11.496 -12.826 199 HZ1 LYS 25 HZ1 LYS 25 13.017 -10.168 -14.740 200 HZ2 LYS 25 HZ2 LYS 25 11.818 -9.323 -13.958 201 HZ3 LYS 25 HZ3 LYS 25 11.428 -10.588 -14.976 202 H ILE 26 H ILE 26 12.361 -7.815 -10.043 203 HA ILE 26 HA ILE 26 12.055 -9.308 -7.497 204 HB ILE 26 HB ILE 26 10.321 -7.046 -8.705 205 HG12 ILE 26 HG12 ILE 26 12.233 -6.965 -6.323 206 HG13 ILE 26 HG13 ILE 26 12.673 -6.406 -7.912 207 HG21 ILE 26 HG21 ILE 26 9.013 -8.525 -7.281 208 HG22 ILE 26 HG22 ILE 26 9.306 -7.032 -6.406 209 HG23 ILE 26 HG23 ILE 26 10.249 -8.455 -6.020 210 HD11 ILE 26 HD11 ILE 26 12.043 -4.538 -6.573 211 HD12 ILE 26 HD12 ILE 26 10.868 -4.690 -7.871 212 HD13 ILE 26 HD13 ILE 26 10.466 -5.187 -6.174 213 H GLU 27 H GLU 27 10.780 -11.185 -7.534 214 HA GLU 27 HA GLU 27 9.395 -11.745 -10.098 215 HB2 GLU 27 HB2 GLU 27 9.808 -13.409 -7.605 216 HB3 GLU 27 HB3 GLU 27 9.045 -13.995 -9.062 217 HG2 GLU 27 HG2 GLU 27 11.852 -12.947 -9.001 218 HG3 GLU 27 HG3 GLU 27 11.433 -14.643 -8.757 219 H ARG 28 H ARG 28 8.550 -11.069 -6.774 220 HA ARG 28 HA ARG 28 5.719 -10.911 -7.624 221 HB2 ARG 28 HB2 ARG 28 6.034 -13.217 -6.718 222 HB3 ARG 28 HB3 ARG 28 6.620 -12.467 -5.185 223 HG2 ARG 28 HG2 ARG 28 4.451 -11.341 -4.826 224 HG3 ARG 28 HG3 ARG 28 3.777 -12.081 -6.297 225 HD2 ARG 28 HD2 ARG 28 4.869 -13.650 -3.883 226 HD3 ARG 28 HD3 ARG 28 3.150 -13.278 -4.209 227 HE ARG 28 HE ARG 28 4.851 -15.292 -5.520 228 HH11 ARG 28 HH11 ARG 28 1.712 -13.599 -5.531 229 HH12 ARG 28 HH12 ARG 28 0.954 -14.792 -6.515 230 HH21 ARG 28 HH21 ARG 28 3.814 -16.733 -6.803 231 HH22 ARG 28 HH22 ARG 28 2.134 -16.506 -7.311 232 H VAL 29 H VAL 29 4.617 -9.329 -6.639 233 HA VAL 29 HA VAL 29 5.985 -7.807 -4.385 234 HB VAL 29 HB VAL 29 4.378 -6.734 -6.864 235 HG11 VAL 29 HG11 VAL 29 4.857 -4.470 -5.965 236 HG12 VAL 29 HG12 VAL 29 3.925 -5.417 -4.801 237 HG13 VAL 29 HG13 VAL 29 5.673 -5.210 -4.551 238 HG21 VAL 29 HG21 VAL 29 6.374 -5.624 -7.578 239 HG22 VAL 29 HG22 VAL 29 6.779 -7.370 -7.294 240 HG23 VAL 29 HG23 VAL 29 7.227 -6.127 -6.108 241 H VAL 30 H VAL 30 4.524 -7.820 -2.652 242 HA VAL 30 HA VAL 30 1.669 -8.143 -3.400 243 HB VAL 30 HB VAL 30 1.217 -9.266 -1.263 244 HG11 VAL 30 HG11 VAL 30 2.102 -11.406 -1.866 245 HG12 VAL 30 HG12 VAL 30 3.538 -10.683 -2.657 246 HG13 VAL 30 HG13 VAL 30 1.980 -10.485 -3.428 247 HG21 VAL 30 HG21 VAL 30 4.176 -9.398 -0.855 248 HG22 VAL 30 HG22 VAL 30 2.919 -10.039 0.189 249 HG23 VAL 30 HG23 VAL 30 3.097 -8.275 0.007 250 H VAL 31 H VAL 31 0.245 -6.669 -2.376 251 HA VAL 31 HA VAL 31 1.644 -4.516 -0.840 252 HB VAL 31 HB VAL 31 0.219 -2.884 -2.048 253 HG11 VAL 31 HG11 VAL 31 1.299 -2.917 -4.255 254 HG12 VAL 31 HG12 VAL 31 1.928 -4.581 -3.883 255 HG13 VAL 31 HG13 VAL 31 2.417 -3.157 -2.915 256 HG21 VAL 31 HG21 VAL 31 -0.594 -5.179 -3.847 257 HG22 VAL 31 HG22 VAL 31 -1.008 -3.465 -4.037 258 HG23 VAL 31 HG23 VAL 31 -1.645 -4.393 -2.637 259 H GLY 32 H GLY 32 0.206 -3.215 0.441 260 HA2 GLY 32 HA2 GLY 32 -2.190 -4.747 1.300 261 HA3 GLY 32 HA3 GLY 32 -1.218 -3.770 2.383 262 H ILE 33 H ILE 33 -4.054 -3.663 0.782 263 HA ILE 33 HA ILE 33 -3.920 -0.694 0.490 264 HB ILE 33 HB ILE 33 -5.553 -2.583 -1.284 265 HG12 ILE 33 HG12 ILE 33 -3.292 -0.677 -1.997 266 HG13 ILE 33 HG13 ILE 33 -3.104 -2.402 -1.865 267 HG21 ILE 33 HG21 ILE 33 -6.384 -0.543 -2.330 268 HG22 ILE 33 HG22 ILE 33 -5.345 0.452 -1.339 269 HG23 ILE 33 HG23 ILE 33 -6.707 -0.436 -0.636 270 HD11 ILE 33 HD11 ILE 33 -4.975 -2.526 -3.701 271 HD12 ILE 33 HD12 ILE 33 -3.338 -2.006 -4.214 272 HD13 ILE 33 HD13 ILE 33 -4.605 -0.784 -3.933 273 H GLY 34 H GLY 34 -5.448 0.274 1.811 274 HA2 GLY 34 HA2 GLY 34 -6.593 -1.380 3.771 275 HA3 GLY 34 HA3 GLY 34 -6.932 0.354 3.540 276 H GLU 35 H GLU 35 -8.601 -1.891 4.382 277 HA GLU 35 HA GLU 35 -10.357 -2.632 2.240 278 HB2 GLU 35 HB2 GLU 35 -11.707 -3.547 3.991 279 HB3 GLU 35 HB3 GLU 35 -10.036 -3.854 4.396 280 HG2 GLU 35 HG2 GLU 35 -10.119 -1.908 5.902 281 HG3 GLU 35 HG3 GLU 35 -11.858 -1.760 5.534 282 H ARG 36 H ARG 36 -10.173 0.245 4.176 283 HA ARG 36 HA ARG 36 -12.642 1.271 2.824 284 HB2 ARG 36 HB2 ARG 36 -11.340 2.242 5.387 285 HB3 ARG 36 HB3 ARG 36 -12.730 2.925 4.539 286 HG2 ARG 36 HG2 ARG 36 -13.982 0.832 4.786 287 HG3 ARG 36 HG3 ARG 36 -12.690 0.240 5.875 288 HD2 ARG 36 HD2 ARG 36 -13.085 2.324 7.249 289 HD3 ARG 36 HD3 ARG 36 -14.433 2.733 6.139 290 HE ARG 36 HE ARG 36 -14.770 0.069 7.133 291 HH11 ARG 36 HH11 ARG 36 -16.491 -0.345 8.477 292 HH12 ARG 36 HH12 ARG 36 -17.229 0.949 9.370 293 HH21 ARG 36 HH21 ARG 36 -15.215 3.403 8.138 294 HH22 ARG 36 HH22 ARG 36 -16.540 3.010 9.208 295 H SER 37 H SER 37 -9.821 1.087 1.737 296 HA SER 37 HA SER 37 -8.674 3.744 1.923 297 HB2 SER 37 HB2 SER 37 -7.232 3.041 0.116 298 HB3 SER 37 HB3 SER 37 -7.342 1.801 1.326 299 HG SER 37 HG SER 37 -8.613 0.576 -0.004 300 H ALA 38 H ALA 38 -8.406 5.266 0.233 301 HA ALA 38 HA ALA 38 -10.934 5.895 -1.134 302 HB1 ALA 38 HB1 ALA 38 -9.551 7.896 -1.946 303 HB2 ALA 38 HB2 ALA 38 -8.118 7.192 -1.129 304 HB3 ALA 38 HB3 ALA 38 -9.492 7.691 -0.167 305 H MET 39 H MET 39 -8.415 3.798 -1.764 306 HA MET 39 HA MET 39 -8.010 4.359 -4.542 307 HB2 MET 39 HB2 MET 39 -7.246 2.019 -2.849 308 HB3 MET 39 HB3 MET 39 -6.720 2.315 -4.502 309 HG2 MET 39 HG2 MET 39 -5.731 4.454 -3.827 310 HG3 MET 39 HG3 MET 39 -6.241 4.195 -2.151 311 HE1 MET 39 HE1 MET 39 -3.894 3.554 -5.082 312 HE2 MET 39 HE2 MET 39 -4.587 1.935 -5.076 313 HE3 MET 39 HE3 MET 39 -2.903 2.165 -4.611 314 H ASP 40 H ASP 40 -8.484 3.214 -6.358 315 HA ASP 40 HA ASP 40 -10.900 1.438 -6.316 316 HB2 ASP 40 HB2 ASP 40 -10.835 3.455 -7.823 317 HB3 ASP 40 HB3 ASP 40 -9.437 2.735 -8.649 318 H LYS 41 H LYS 41 -10.144 -0.680 -5.934 319 HA LYS 41 HA LYS 41 -7.493 -1.565 -6.509 320 HB2 LYS 41 HB2 LYS 41 -10.033 -3.109 -6.057 321 HB3 LYS 41 HB3 LYS 41 -8.452 -3.854 -6.159 322 HG2 LYS 41 HG2 LYS 41 -7.763 -2.572 -4.156 323 HG3 LYS 41 HG3 LYS 41 -9.360 -1.847 -4.073 324 HD2 LYS 41 HD2 LYS 41 -9.316 -3.590 -2.523 325 HD3 LYS 41 HD3 LYS 41 -10.351 -4.098 -3.853 326 HE2 LYS 41 HE2 LYS 41 -8.553 -5.455 -4.810 327 HE3 LYS 41 HE3 LYS 41 -7.496 -5.012 -3.451 328 HZ1 LYS 41 HZ1 LYS 41 -8.938 -6.142 -1.966 329 HZ2 LYS 41 HZ2 LYS 41 -8.653 -7.179 -3.190 330 HZ3 LYS 41 HZ3 LYS 41 -10.062 -6.394 -3.112 331 H SER 42 H SER 42 -10.437 -1.707 -8.524 332 HA SER 42 HA SER 42 -9.382 -3.727 -10.285 333 HB2 SER 42 HB2 SER 42 -11.561 -1.657 -10.728 334 HB3 SER 42 HB3 SER 42 -11.204 -3.036 -11.803 335 HG SER 42 HG SER 42 -12.723 -3.731 -10.406 336 H LEU 43 H LEU 43 -9.210 -0.170 -10.225 337 HA LEU 43 HA LEU 43 -7.857 -0.117 -12.826 338 HB2 LEU 43 HB2 LEU 43 -8.107 1.999 -10.684 339 HB3 LEU 43 HB3 LEU 43 -7.403 2.243 -12.259 340 HG LEU 43 HG LEU 43 -10.296 1.513 -11.798 341 HD11 LEU 43 HD11 LEU 43 -8.870 4.113 -12.405 342 HD12 LEU 43 HD12 LEU 43 -9.781 3.690 -10.909 343 HD13 LEU 43 HD13 LEU 43 -10.637 3.869 -12.471 344 HD21 LEU 43 HD21 LEU 43 -8.799 2.333 -14.312 345 HD22 LEU 43 HD22 LEU 43 -9.492 0.765 -13.959 346 HD23 LEU 43 HD23 LEU 43 -10.542 2.193 -14.163 347 H PHE 44 H PHE 44 -7.030 -0.416 -9.459 348 HA PHE 44 HA PHE 44 -4.286 0.464 -9.731 349 HB2 PHE 44 HB2 PHE 44 -5.476 0.118 -7.536 350 HB3 PHE 44 HB3 PHE 44 -5.445 -1.608 -7.834 351 HD1 PHE 44 HD1 PHE 44 -3.353 1.359 -7.116 352 HD2 PHE 44 HD2 PHE 44 -3.428 -2.873 -7.514 353 HE1 PHE 44 HE1 PHE 44 -1.151 1.208 -5.976 354 HE2 PHE 44 HE2 PHE 44 -1.246 -3.135 -6.346 355 HZ PHE 44 HZ PHE 44 -0.109 -1.082 -5.609 356 H VAL 45 H VAL 45 -5.862 -2.781 -10.032 357 HA VAL 45 HA VAL 45 -3.283 -3.967 -10.447 358 HB VAL 45 HB VAL 45 -4.482 -6.070 -11.148 359 HG11 VAL 45 HG11 VAL 45 -5.861 -4.852 -8.702 360 HG12 VAL 45 HG12 VAL 45 -4.211 -5.527 -8.784 361 HG13 VAL 45 HG13 VAL 45 -5.604 -6.574 -9.094 362 HG21 VAL 45 HG21 VAL 45 -7.082 -4.458 -10.883 363 HG22 VAL 45 HG22 VAL 45 -6.318 -4.960 -12.411 364 HG23 VAL 45 HG23 VAL 45 -6.921 -6.163 -11.240 365 H SER 46 H SER 46 -5.646 -2.425 -12.472 366 HA SER 46 HA SER 46 -4.644 -3.490 -15.001 367 HB2 SER 46 HB2 SER 46 -6.894 -2.482 -14.745 368 HB3 SER 46 HB3 SER 46 -6.152 -0.922 -14.423 369 HG SER 46 HG SER 46 -6.206 -2.436 -16.813 370 H ALA 47 H ALA 47 -4.086 -0.579 -13.029 371 HA ALA 47 HA ALA 47 -2.292 0.706 -14.824 372 HB1 ALA 47 HB1 ALA 47 -3.358 2.022 -13.221 373 HB2 ALA 47 HB2 ALA 47 -2.874 0.956 -11.888 374 HB3 ALA 47 HB3 ALA 47 -1.654 1.978 -12.691 375 H PHE 48 H PHE 48 -1.782 -1.717 -12.215 376 HA PHE 48 HA PHE 48 1.062 -1.395 -12.157 377 HB2 PHE 48 HB2 PHE 48 -0.235 -2.689 -10.436 378 HB3 PHE 48 HB3 PHE 48 -0.482 -3.955 -11.648 379 HD1 PHE 48 HD1 PHE 48 2.051 -2.292 -9.499 380 HD2 PHE 48 HD2 PHE 48 1.323 -5.460 -12.298 381 HE1 PHE 48 HE1 PHE 48 4.235 -3.295 -8.854 382 HE2 PHE 48 HE2 PHE 48 3.537 -6.471 -11.685 383 HZ PHE 48 HZ PHE 48 4.991 -5.438 -9.971 384 H GLU 49 H GLU 49 -1.077 -3.317 -14.254 385 HA GLU 49 HA GLU 49 1.078 -4.741 -15.515 386 HB2 GLU 49 HB2 GLU 49 -1.691 -4.053 -16.549 387 HB3 GLU 49 HB3 GLU 49 -0.564 -5.175 -17.307 388 HG2 GLU 49 HG2 GLU 49 -1.734 -5.529 -14.540 389 HG3 GLU 49 HG3 GLU 49 -2.265 -6.374 -16.013 390 H THR 50 H THR 50 -0.562 -1.684 -16.058 391 HA THR 50 HA THR 50 0.619 -1.156 -18.594 392 HB THR 50 HB THR 50 -0.438 0.870 -16.580 393 HG1 THR 50 HG1 THR 50 -1.969 -0.706 -16.981 394 HG21 THR 50 HG21 THR 50 0.590 2.065 -18.285 395 HG22 THR 50 HG22 THR 50 -1.124 2.049 -18.708 396 HG23 THR 50 HG23 THR 50 0.018 0.953 -19.577 397 H PHE 51 H PHE 51 1.539 -0.170 -15.271 398 HA PHE 51 HA PHE 51 3.881 1.274 -16.272 399 HB2 PHE 51 HB2 PHE 51 2.954 0.680 -13.468 400 HB3 PHE 51 HB3 PHE 51 4.413 1.525 -13.929 401 HD1 PHE 51 HD1 PHE 51 0.778 2.069 -13.592 402 HD2 PHE 51 HD2 PHE 51 4.494 3.549 -15.103 403 HE1 PHE 51 HE1 PHE 51 -0.191 4.299 -13.586 404 HE2 PHE 51 HE2 PHE 51 3.550 5.839 -15.164 405 HZ PHE 51 HZ PHE 51 1.179 6.237 -14.434 406 H ARG 52 H ARG 52 3.448 -2.102 -15.098 407 HA ARG 52 HA ARG 52 6.098 -2.234 -14.010 408 HB2 ARG 52 HB2 ARG 52 5.838 -4.602 -13.976 409 HB3 ARG 52 HB3 ARG 52 4.254 -3.891 -13.571 410 HG2 ARG 52 HG2 ARG 52 3.459 -4.362 -15.842 411 HG3 ARG 52 HG3 ARG 52 5.059 -5.088 -16.233 412 HD2 ARG 52 HD2 ARG 52 4.770 -6.616 -14.325 413 HD3 ARG 52 HD3 ARG 52 3.105 -6.002 -14.099 414 HE ARG 52 HE ARG 52 3.373 -6.766 -16.804 415 HH11 ARG 52 HH11 ARG 52 3.813 -8.446 -13.750 416 HH12 ARG 52 HH12 ARG 52 3.235 -9.970 -14.364 417 HH21 ARG 52 HH21 ARG 52 2.524 -8.680 -17.522 418 HH22 ARG 52 HH22 ARG 52 2.572 -10.107 -16.505 419 H GLU 53 H GLU 53 5.027 -2.229 -17.358 420 HA GLU 53 HA GLU 53 7.224 -3.666 -18.448 421 HB2 GLU 53 HB2 GLU 53 5.488 -1.504 -19.606 422 HB3 GLU 53 HB3 GLU 53 6.571 -2.514 -20.536 423 HG2 GLU 53 HG2 GLU 53 4.169 -3.440 -18.973 424 HG3 GLU 53 HG3 GLU 53 4.283 -3.366 -20.735 425 H GLU 54 H GLU 54 6.925 -0.462 -17.173 426 HA GLU 54 HA GLU 54 8.924 0.851 -18.712 427 HB2 GLU 54 HB2 GLU 54 7.892 1.282 -15.885 428 HB3 GLU 54 HB3 GLU 54 8.904 2.416 -16.776 429 HG2 GLU 54 HG2 GLU 54 6.141 1.537 -17.555 430 HG3 GLU 54 HG3 GLU 54 6.585 3.071 -16.849 431 H SER 55 H SER 55 9.235 -1.471 -16.119 432 HA SER 55 HA SER 55 12.162 -0.986 -16.222 433 HB2 SER 55 HB2 SER 55 11.400 0.209 -14.238 434 HB3 SER 55 HB3 SER 55 10.611 -1.264 -13.642 435 HG SER 55 HG SER 55 12.930 -0.604 -12.948 436 H LEU 56 H LEU 56 13.401 -2.814 -16.260 437 HA LEU 56 HA LEU 56 12.212 -5.411 -16.706 438 HB2 LEU 56 HB2 LEU 56 14.438 -4.554 -17.517 439 HB3 LEU 56 HB3 LEU 56 15.080 -4.670 -15.878 440 HG LEU 56 HG LEU 56 15.850 -6.407 -17.436 441 HD11 LEU 56 HD11 LEU 56 15.776 -7.026 -15.034 442 HD12 LEU 56 HD12 LEU 56 15.635 -8.391 -16.158 443 HD13 LEU 56 HD13 LEU 56 14.196 -7.763 -15.307 444 HD21 LEU 56 HD21 LEU 56 13.799 -6.529 -18.757 445 HD22 LEU 56 HD22 LEU 56 14.392 -8.138 -18.292 446 HD23 LEU 56 HD23 LEU 56 12.988 -7.406 -17.471 447 H VAL 57 H VAL 57 13.468 -3.762 -13.838 448 HA VAL 57 HA VAL 57 13.829 -5.936 -12.107 449 HB VAL 57 HB VAL 57 12.865 -3.118 -11.491 450 HG11 VAL 57 HG11 VAL 57 14.064 -5.219 -9.656 451 HG12 VAL 57 HG12 VAL 57 13.904 -3.503 -9.279 452 HG13 VAL 57 HG13 VAL 57 12.436 -4.489 -9.542 453 HG21 VAL 57 HG21 VAL 57 15.226 -2.655 -11.033 454 HG22 VAL 57 HG22 VAL 57 15.674 -4.306 -11.512 455 HG23 VAL 57 HG23 VAL 57 15.010 -3.163 -12.712 456 H CYS 58 H CYS 58 10.844 -4.127 -12.946 457 HA CYS 58 HA CYS 58 9.344 -5.929 -11.162 458 HB2 CYS 58 HB2 CYS 58 7.680 -4.184 -11.016 459 HB3 CYS 58 HB3 CYS 58 9.291 -3.482 -10.700 460 HG CYS 58 HG CYS 58 7.829 -3.564 -13.658 461 H LYS 59 H LYS 59 9.977 -5.641 -14.416 462 HA LYS 59 HA LYS 59 7.434 -5.665 -15.659 463 HB2 LYS 59 HB2 LYS 59 9.654 -5.394 -16.750 464 HB3 LYS 59 HB3 LYS 59 9.936 -7.143 -16.602 465 HG2 LYS 59 HG2 LYS 59 7.938 -7.468 -18.076 466 HG3 LYS 59 HG3 LYS 59 7.746 -5.735 -18.238 467 HD2 LYS 59 HD2 LYS 59 10.269 -7.253 -19.059 468 HD3 LYS 59 HD3 LYS 59 8.905 -6.818 -20.117 469 HE2 LYS 59 HE2 LYS 59 9.266 -4.446 -19.600 470 HE3 LYS 59 HE3 LYS 59 10.674 -4.851 -18.599 471 HZ1 LYS 59 HZ1 LYS 59 11.591 -5.904 -20.636 472 HZ2 LYS 59 HZ2 LYS 59 11.487 -4.283 -20.707 473 HZ3 LYS 59 HZ3 LYS 59 10.391 -5.214 -21.538 474 H ASP 60 H ASP 60 9.167 -8.553 -14.391 475 HA ASP 60 HA ASP 60 6.869 -10.161 -15.343 476 HB2 ASP 60 HB2 ASP 60 9.568 -10.984 -14.176 477 HB3 ASP 60 HB3 ASP 60 8.295 -12.129 -14.700 478 H ALA 61 H ALA 61 7.355 -8.239 -12.728 479 HA ALA 61 HA ALA 61 7.127 -10.121 -10.587 480 HB1 ALA 61 HB1 ALA 61 8.024 -7.850 -10.218 481 HB2 ALA 61 HB2 ALA 61 6.475 -7.155 -10.637 482 HB3 ALA 61 HB3 ALA 61 6.603 -8.186 -9.214 483 H ILE 62 H ILE 62 5.349 -10.959 -9.571 484 HA ILE 62 HA ILE 62 2.710 -10.607 -10.872 485 HB ILE 62 HB ILE 62 3.605 -12.391 -8.586 486 HG12 ILE 62 HG12 ILE 62 3.053 -13.123 -11.482 487 HG13 ILE 62 HG13 ILE 62 4.675 -12.869 -10.823 488 HG21 ILE 62 HG21 ILE 62 1.005 -12.408 -10.204 489 HG22 ILE 62 HG22 ILE 62 1.437 -13.606 -8.922 490 HG23 ILE 62 HG23 ILE 62 1.161 -11.903 -8.501 491 HD11 ILE 62 HD11 ILE 62 4.368 -15.192 -10.890 492 HD12 ILE 62 HD12 ILE 62 2.757 -15.069 -10.111 493 HD13 ILE 62 HD13 ILE 62 4.231 -14.682 -9.172 494 H LEU 63 H LEU 63 1.254 -9.177 -10.078 495 HA LEU 63 HA LEU 63 1.832 -7.900 -7.455 496 HB2 LEU 63 HB2 LEU 63 1.496 -6.548 -9.425 497 HB3 LEU 63 HB3 LEU 63 -0.119 -7.186 -9.669 498 HG LEU 63 HG LEU 63 -0.020 -4.824 -8.880 499 HD11 LEU 63 HD11 LEU 63 -1.738 -4.924 -7.247 500 HD12 LEU 63 HD12 LEU 63 -1.325 -6.575 -6.764 501 HD13 LEU 63 HD13 LEU 63 -2.007 -6.233 -8.392 502 HD21 LEU 63 HD21 LEU 63 2.018 -4.993 -7.422 503 HD22 LEU 63 HD22 LEU 63 0.600 -4.307 -6.595 504 HD23 LEU 63 HD23 LEU 63 1.032 -5.960 -6.256 505 H ASP 64 H ASP 64 0.622 -8.320 -5.668 506 HA ASP 64 HA ASP 64 -2.047 -9.545 -6.010 507 HB2 ASP 64 HB2 ASP 64 -0.284 -11.277 -5.465 508 HB3 ASP 64 HB3 ASP 64 0.002 -10.416 -3.988 509 H ILE 65 H ILE 65 -3.589 -8.443 -4.803 510 HA ILE 65 HA ILE 65 -2.562 -6.408 -2.863 511 HB ILE 65 HB ILE 65 -5.368 -6.842 -3.950 512 HG12 ILE 65 HG12 ILE 65 -3.333 -4.695 -4.688 513 HG13 ILE 65 HG13 ILE 65 -3.607 -6.142 -5.674 514 HG21 ILE 65 HG21 ILE 65 -5.647 -4.451 -2.984 515 HG22 ILE 65 HG22 ILE 65 -4.098 -4.641 -2.203 516 HG23 ILE 65 HG23 ILE 65 -5.462 -5.698 -1.775 517 HD11 ILE 65 HD11 ILE 65 -5.648 -3.956 -5.096 518 HD12 ILE 65 HD12 ILE 65 -4.844 -4.324 -6.661 519 HD13 ILE 65 HD13 ILE 65 -6.011 -5.480 -5.967 520 H VAL 66 H VAL 66 -2.759 -6.667 -0.770 521 HA VAL 66 HA VAL 66 -4.621 -8.759 0.312 522 HB VAL 66 HB VAL 66 -2.187 -7.382 1.607 523 HG11 VAL 66 HG11 VAL 66 -3.814 -7.971 3.294 524 HG12 VAL 66 HG12 VAL 66 -2.456 -9.118 3.359 525 HG13 VAL 66 HG13 VAL 66 -3.965 -9.616 2.621 526 HG21 VAL 66 HG21 VAL 66 -1.444 -8.908 -0.160 527 HG22 VAL 66 HG22 VAL 66 -2.474 -10.211 0.494 528 HG23 VAL 66 HG23 VAL 66 -1.068 -9.620 1.405 529 H ASP 67 H ASP 67 -6.444 -8.005 1.260 530 HA ASP 67 HA ASP 67 -6.912 -5.149 1.551 531 HB2 ASP 67 HB2 ASP 67 -8.342 -7.589 2.635 532 HB3 ASP 67 HB3 ASP 67 -8.945 -5.933 2.836 533 H GLU 68 H GLU 68 -6.571 -3.851 3.423 534 HA GLU 68 HA GLU 68 -5.780 -5.348 5.927 535 HB2 GLU 68 HB2 GLU 68 -4.380 -2.900 4.799 536 HB3 GLU 68 HB3 GLU 68 -4.123 -3.577 6.426 537 HG2 GLU 68 HG2 GLU 68 -3.448 -5.727 5.407 538 HG3 GLU 68 HG3 GLU 68 -3.508 -4.947 3.822 539 H LYS 69 H LYS 69 -6.197 -4.304 7.892 540 HA LYS 69 HA LYS 69 -8.505 -2.496 7.884 541 HB2 LYS 69 HB2 LYS 69 -6.643 -3.614 10.025 542 HB3 LYS 69 HB3 LYS 69 -7.858 -2.383 10.400 543 HG2 LYS 69 HG2 LYS 69 -8.795 -4.485 10.974 544 HG3 LYS 69 HG3 LYS 69 -9.642 -3.874 9.554 545 HD2 LYS 69 HD2 LYS 69 -8.379 -5.304 8.117 546 HD3 LYS 69 HD3 LYS 69 -7.559 -6.009 9.515 547 HE2 LYS 69 HE2 LYS 69 -9.675 -6.806 10.437 548 HE3 LYS 69 HE3 LYS 69 -10.532 -6.100 9.079 549 HZ1 LYS 69 HZ1 LYS 69 -9.618 -7.643 7.626 550 HZ2 LYS 69 HZ2 LYS 69 -9.936 -8.534 8.953 551 HZ3 LYS 69 HZ3 LYS 69 -8.405 -8.075 8.642 552 H VAL 70 H VAL 70 -8.395 -0.383 8.458 553 HA VAL 70 HA VAL 70 -5.984 1.050 7.608 554 HB VAL 70 HB VAL 70 -7.467 3.034 7.783 555 HG11 VAL 70 HG11 VAL 70 -9.143 2.389 6.105 556 HG12 VAL 70 HG12 VAL 70 -7.543 1.672 5.750 557 HG13 VAL 70 HG13 VAL 70 -8.824 0.661 6.443 558 HG21 VAL 70 HG21 VAL 70 -9.844 1.274 8.592 559 HG22 VAL 70 HG22 VAL 70 -8.818 2.077 9.818 560 HG23 VAL 70 HG23 VAL 70 -9.659 3.043 8.622 561 H GLU 71 H GLU 71 -5.012 2.770 8.815 562 HA GLU 71 HA GLU 71 -5.030 2.344 11.794 563 HB2 GLU 71 HB2 GLU 71 -2.907 1.610 10.763 564 HB3 GLU 71 HB3 GLU 71 -2.747 3.190 10.037 565 HG2 GLU 71 HG2 GLU 71 -2.570 4.232 12.201 566 HG3 GLU 71 HG3 GLU 71 -2.755 2.665 12.985 567 H LEU 72 H LEU 72 -5.202 4.186 13.010 568 HA LEU 72 HA LEU 72 -5.781 6.729 11.482 569 HB2 LEU 72 HB2 LEU 72 -7.281 5.524 13.813 570 HB3 LEU 72 HB3 LEU 72 -7.528 7.126 13.211 571 HG LEU 72 HG LEU 72 -8.500 6.319 11.146 572 HD11 LEU 72 HD11 LEU 72 -7.890 3.580 12.172 573 HD12 LEU 72 HD12 LEU 72 -9.301 3.869 11.146 574 HD13 LEU 72 HD13 LEU 72 -7.691 4.244 10.563 575 HD21 LEU 72 HD21 LEU 72 -9.743 4.986 13.596 576 HD22 LEU 72 HD22 LEU 72 -10.573 5.521 12.132 577 HD23 LEU 72 HD23 LEU 72 -9.836 6.699 13.226 578 H GLU 73 H GLU 73 -5.767 8.528 12.496 579 HA GLU 73 HA GLU 73 -4.187 8.848 14.995 580 HB2 GLU 73 HB2 GLU 73 -2.780 9.457 12.915 581 HB3 GLU 73 HB3 GLU 73 -4.133 10.527 12.493 582 HG2 GLU 73 HG2 GLU 73 -3.764 11.885 14.505 583 HG3 GLU 73 HG3 GLU 73 -2.368 10.923 14.910 584 H CYS 74 H CYS 74 -5.013 10.603 16.234 585 HA CYS 74 HA CYS 74 -7.763 11.446 15.431 586 HB2 CYS 74 HB2 CYS 74 -7.356 10.146 17.596 587 HB3 CYS 74 HB3 CYS 74 -6.267 11.462 18.129 588 H LYS 75 H LYS 75 -8.136 13.639 15.220 589 HA LYS 75 HA LYS 75 -5.937 15.387 14.592 590 HB2 LYS 75 HB2 LYS 75 -8.854 16.067 15.190 591 HB3 LYS 75 HB3 LYS 75 -7.637 17.220 14.638 592 HG2 LYS 75 HG2 LYS 75 -7.252 15.822 12.598 593 HG3 LYS 75 HG3 LYS 75 -8.503 14.712 13.113 594 HD2 LYS 75 HD2 LYS 75 -9.443 16.174 11.472 595 HD3 LYS 75 HD3 LYS 75 -10.093 16.683 13.018 596 HE2 LYS 75 HE2 LYS 75 -8.428 18.508 13.116 597 HE3 LYS 75 HE3 LYS 75 -7.758 17.904 11.571 598 HZ1 LYS 75 HZ1 LYS 75 -9.316 19.802 11.303 599 HZ2 LYS 75 HZ2 LYS 75 -10.553 18.855 11.855 600 HZ3 LYS 75 HZ3 LYS 75 -9.765 18.442 10.460 601 H ASP 76 H ASP 76 -5.140 17.126 15.960 602 HA ASP 76 HA ASP 76 -3.900 15.757 17.689 603 HB2 ASP 76 HB2 ASP 76 -2.960 17.824 18.661 604 HB3 ASP 76 HB3 ASP 76 -3.147 17.905 16.886 605 H CYS 77 H CYS 77 -4.388 14.534 18.662 606 HA CYS 77 HA CYS 77 -4.829 14.545 21.579 607 HB2 CYS 77 HB2 CYS 77 -7.044 14.112 20.665 608 HB3 CYS 77 HB3 CYS 77 -6.348 12.919 19.520 609 H SER 78 H SER 78 -2.700 13.278 22.010 610 HA SER 78 HA SER 78 -1.432 12.222 19.522 611 HB2 SER 78 HB2 SER 78 -0.540 12.169 22.365 612 HB3 SER 78 HB3 SER 78 0.440 11.636 21.002 613 HG SER 78 HG SER 78 0.861 13.826 21.590 614 H HIS 79 H HIS 79 -2.341 10.522 18.785 615 HA HIS 79 HA HIS 79 -2.493 8.354 20.477 616 HB2 HIS 79 HB2 HIS 79 -4.545 9.700 20.749 617 HB3 HIS 79 HB3 HIS 79 -5.135 8.694 19.444 618 HD1 HIS 79 HD1 HIS 79 -3.666 8.392 22.986 619 HD2 HIS 79 HD2 HIS 79 -5.638 6.016 20.126 620 HE1 HIS 79 HE1 HIS 79 -4.099 6.153 24.065 621 HE2 HIS 79 HE2 HIS 79 -5.368 4.744 22.390 622 H VAL 80 H VAL 80 -1.124 8.308 17.763 623 HA VAL 80 HA VAL 80 -2.955 6.981 16.150 624 HB VAL 80 HB VAL 80 0.046 6.927 15.956 625 HG11 VAL 80 HG11 VAL 80 -1.993 6.495 13.785 626 HG12 VAL 80 HG12 VAL 80 -0.878 5.280 14.426 627 HG13 VAL 80 HG13 VAL 80 -0.224 6.600 13.533 628 HG21 VAL 80 HG21 VAL 80 -1.998 8.881 15.100 629 HG22 VAL 80 HG22 VAL 80 -0.446 8.748 14.203 630 HG23 VAL 80 HG23 VAL 80 -0.470 9.164 15.944 631 H PHE 81 H PHE 81 -3.571 5.040 15.734 632 HA PHE 81 HA PHE 81 -2.202 2.717 16.840 633 HB2 PHE 81 HB2 PHE 81 -4.047 2.119 18.269 634 HB3 PHE 81 HB3 PHE 81 -3.628 3.794 18.684 635 HD1 PHE 81 HD1 PHE 81 -6.283 1.595 18.125 636 HD2 PHE 81 HD2 PHE 81 -5.091 5.600 17.211 637 HE1 PHE 81 HE1 PHE 81 -8.646 2.202 17.813 638 HE2 PHE 81 HE2 PHE 81 -7.404 6.240 16.851 639 HZ PHE 81 HZ PHE 81 -9.264 4.537 17.149 640 H LYS 82 H LYS 82 -3.485 0.724 16.218 641 HA LYS 82 HA LYS 82 -4.989 1.214 13.694 642 HB2 LYS 82 HB2 LYS 82 -2.733 0.069 13.532 643 HB3 LYS 82 HB3 LYS 82 -3.406 -1.264 14.514 644 HG2 LYS 82 HG2 LYS 82 -5.126 -1.631 12.705 645 HG3 LYS 82 HG3 LYS 82 -4.424 -0.297 11.779 646 HD2 LYS 82 HD2 LYS 82 -2.246 -1.509 11.742 647 HD3 LYS 82 HD3 LYS 82 -3.016 -2.873 12.590 648 HE2 LYS 82 HE2 LYS 82 -4.689 -3.074 10.758 649 HE3 LYS 82 HE3 LYS 82 -3.848 -1.778 9.911 650 HZ1 LYS 82 HZ1 LYS 82 -1.896 -3.192 9.792 651 HZ2 LYS 82 HZ2 LYS 82 -3.191 -3.989 9.154 652 HZ3 LYS 82 HZ3 LYS 82 -2.640 -4.372 10.661 653 HA PRO 83 HA PRO 83 -8.280 -0.354 16.396 654 HB2 PRO 83 HB2 PRO 83 -10.385 0.245 14.823 655 HB3 PRO 83 HB3 PRO 83 -9.560 1.497 15.752 656 HG2 PRO 83 HG2 PRO 83 -9.121 0.736 12.922 657 HG3 PRO 83 HG3 PRO 83 -9.474 2.348 13.577 658 HD2 PRO 83 HD2 PRO 83 -6.960 1.609 13.068 659 HD3 PRO 83 HD3 PRO 83 -7.295 2.476 14.589 660 H ASN 84 H ASN 84 -9.488 -2.205 16.520 661 HA ASN 84 HA ASN 84 -9.084 -4.117 14.220 662 HB2 ASN 84 HB2 ASN 84 -9.477 -4.500 17.221 663 HB3 ASN 84 HB3 ASN 84 -9.315 -5.828 16.058 664 HD21 ASN 84 HD21 ASN 84 -7.715 -4.359 18.369 665 HD22 ASN 84 HD22 ASN 84 -6.078 -4.364 17.747 666 H ALA 85 H ALA 85 -11.597 -2.181 15.084 667 HA ALA 85 HA ALA 85 -13.559 -4.315 14.376 668 HB1 ALA 85 HB1 ALA 85 -13.787 -2.510 16.844 669 HB2 ALA 85 HB2 ALA 85 -13.616 -4.247 16.813 670 HB3 ALA 85 HB3 ALA 85 -15.085 -3.484 16.220 671 H LEU 86 H LEU 86 -15.758 -3.436 14.136 672 HA LEU 86 HA LEU 86 -15.712 -1.689 11.888 673 HB2 LEU 86 HB2 LEU 86 -18.015 -2.636 13.568 674 HB3 LEU 86 HB3 LEU 86 -18.134 -1.950 11.958 675 HG LEU 86 HG LEU 86 -16.803 -4.596 12.571 676 HD11 LEU 86 HD11 LEU 86 -19.552 -3.960 11.351 677 HD12 LEU 86 HD12 LEU 86 -19.246 -4.525 13.011 678 HD13 LEU 86 HD13 LEU 86 -18.860 -5.579 11.630 679 HD21 LEU 86 HD21 LEU 86 -17.174 -4.786 10.016 680 HD22 LEU 86 HD22 LEU 86 -15.853 -3.785 10.581 681 HD23 LEU 86 HD23 LEU 86 -17.359 -3.053 10.007 682 H ASP 87 H ASP 87 -15.456 -0.708 15.010 683 HA ASP 87 HA ASP 87 -17.204 1.591 14.883 684 HB2 ASP 87 HB2 ASP 87 -16.408 2.159 17.055 685 HB3 ASP 87 HB3 ASP 87 -16.721 0.410 17.023 686 H TYR 88 H TYR 88 -15.009 1.172 12.872 687 HA TYR 88 HA TYR 88 -12.803 2.877 13.245 688 HB2 TYR 88 HB2 TYR 88 -14.360 2.426 10.671 689 HB3 TYR 88 HB3 TYR 88 -12.735 3.098 10.754 690 HD1 TYR 88 HD1 TYR 88 -10.885 1.571 11.576 691 HD2 TYR 88 HD2 TYR 88 -14.727 0.125 10.485 692 HE1 TYR 88 HE1 TYR 88 -9.950 -0.781 11.562 693 HE2 TYR 88 HE2 TYR 88 -13.827 -2.232 10.387 694 HH TYR 88 HH TYR 88 -10.515 -3.039 11.259 695 H GLY 89 H GLY 89 -12.384 5.036 12.683 696 HA2 GLY 89 HA2 GLY 89 -12.894 7.139 11.848 697 HA3 GLY 89 HA3 GLY 89 -14.628 6.776 11.876 698 H VAL 90 H VAL 90 -13.049 5.852 14.784 699 HA VAL 90 HA VAL 90 -13.263 8.539 15.998 700 HB VAL 90 HB VAL 90 -14.145 7.588 18.105 701 HG11 VAL 90 HG11 VAL 90 -15.569 8.589 16.377 702 HG12 VAL 90 HG12 VAL 90 -16.423 7.385 17.402 703 HG13 VAL 90 HG13 VAL 90 -15.900 6.960 15.736 704 HG21 VAL 90 HG21 VAL 90 -13.391 5.336 18.006 705 HG22 VAL 90 HG22 VAL 90 -15.178 5.363 18.048 706 HG23 VAL 90 HG23 VAL 90 -14.322 5.042 16.526 707 H CYS 91 H CYS 91 -11.918 8.691 17.964 708 HA CYS 91 HA CYS 91 -9.368 7.242 17.816 709 HB2 CYS 91 HB2 CYS 91 -9.601 9.654 18.386 710 HB3 CYS 91 HB3 CYS 91 -10.479 9.196 19.876 711 H GLU 92 H GLU 92 -8.611 6.033 19.825 712 HA GLU 92 HA GLU 92 -10.914 4.671 21.155 713 HB2 GLU 92 HB2 GLU 92 -9.514 2.903 21.769 714 HB3 GLU 92 HB3 GLU 92 -9.281 3.219 20.023 715 HG2 GLU 92 HG2 GLU 92 -7.234 4.466 20.559 716 HG3 GLU 92 HG3 GLU 92 -7.435 4.095 22.283 717 H LYS 93 H LYS 93 -8.480 7.086 21.748 718 HA LYS 93 HA LYS 93 -8.267 6.659 24.634 719 HB2 LYS 93 HB2 LYS 93 -6.578 7.835 23.209 720 HB3 LYS 93 HB3 LYS 93 -7.738 9.161 23.032 721 HG2 LYS 93 HG2 LYS 93 -6.181 9.741 24.721 722 HG3 LYS 93 HG3 LYS 93 -7.739 9.414 25.483 723 HD2 LYS 93 HD2 LYS 93 -6.869 7.200 26.098 724 HD3 LYS 93 HD3 LYS 93 -5.316 7.626 25.382 725 HE2 LYS 93 HE2 LYS 93 -5.165 9.545 26.903 726 HE3 LYS 93 HE3 LYS 93 -6.725 9.034 27.638 727 HZ1 LYS 93 HZ1 LYS 93 -4.232 7.404 27.613 728 HZ2 LYS 93 HZ2 LYS 93 -5.667 6.972 28.291 729 HZ3 LYS 93 HZ3 LYS 93 -4.813 8.233 28.924 730 H CYS 94 H CYS 94 -10.093 8.465 22.444 731 HA CYS 94 HA CYS 94 -12.162 9.272 24.391 732 HB2 CYS 94 HB2 CYS 94 -12.210 11.492 23.280 733 HB3 CYS 94 HB3 CYS 94 -10.623 11.246 23.990 734 H HIS 95 H HIS 95 -14.174 9.400 22.793 735 HA HIS 95 HA HIS 95 -13.528 7.727 20.389 736 HB2 HIS 95 HB2 HIS 95 -16.002 7.506 22.093 737 HB3 HIS 95 HB3 HIS 95 -15.676 6.581 20.614 738 HD1 HIS 95 HD1 HIS 95 -14.920 6.531 24.283 739 HD2 HIS 95 HD2 HIS 95 -13.589 4.659 20.759 740 HE1 HIS 95 HE1 HIS 95 -13.572 4.485 24.992 741 HE2 HIS 95 HE2 HIS 95 -12.763 3.380 22.862 742 H SER 96 H SER 96 -13.440 10.430 20.532 743 HA SER 96 HA SER 96 -15.947 11.506 19.511 744 HB2 SER 96 HB2 SER 96 -13.216 12.730 19.723 745 HB3 SER 96 HB3 SER 96 -14.694 13.560 19.256 746 HG SER 96 HG SER 96 -14.375 13.912 21.421 747 H LYS 97 H LYS 97 -16.327 12.050 17.381 748 HA LYS 97 HA LYS 97 -14.700 10.764 15.290 749 HB2 LYS 97 HB2 LYS 97 -17.045 12.683 15.161 750 HB3 LYS 97 HB3 LYS 97 -16.268 11.897 13.757 751 HG2 LYS 97 HG2 LYS 97 -16.883 9.658 14.722 752 HG3 LYS 97 HG3 LYS 97 -17.701 10.505 16.075 753 HD2 LYS 97 HD2 LYS 97 -19.355 9.884 14.510 754 HD3 LYS 97 HD3 LYS 97 -19.162 11.646 14.395 755 HE2 LYS 97 HE2 LYS 97 -17.785 11.330 12.347 756 HE3 LYS 97 HE3 LYS 97 -18.006 9.529 12.478 757 HZ1 LYS 97 HZ1 LYS 97 -20.290 9.782 12.043 758 HZ2 LYS 97 HZ2 LYS 97 -20.235 11.430 12.162 759 HZ3 LYS 97 HZ3 LYS 97 -19.492 10.678 10.893 760 H ASN 98 H ASN 98 -13.826 12.183 13.594 761 HA ASN 98 HA ASN 98 -12.818 14.206 12.749 762 HB2 ASN 98 HB2 ASN 98 -12.506 15.174 15.603 763 HB3 ASN 98 HB3 ASN 98 -11.849 15.910 14.157 764 HD21 ASN 98 HD21 ASN 98 -13.927 16.657 16.297 765 HD22 ASN 98 HD22 ASN 98 -15.182 17.373 15.271 766 H VAL 99 H VAL 99 -11.976 11.765 12.788 767 HA VAL 99 HA VAL 99 -9.149 12.003 13.755 768 HB VAL 99 HB VAL 99 -9.088 9.533 13.913 769 HG11 VAL 99 HG11 VAL 99 -9.762 11.012 15.885 770 HG12 VAL 99 HG12 VAL 99 -11.438 10.519 15.531 771 HG13 VAL 99 HG13 VAL 99 -10.260 9.284 15.968 772 HG21 VAL 99 HG21 VAL 99 -11.981 9.660 13.207 773 HG22 VAL 99 HG22 VAL 99 -10.679 8.905 12.322 774 HG23 VAL 99 HG23 VAL 99 -11.190 8.268 13.870 775 H ILE 100 H ILE 100 -7.690 10.776 12.227 776 HA ILE 100 HA ILE 100 -8.850 10.740 9.459 777 HB ILE 100 HB ILE 100 -6.729 11.727 8.592 778 HG12 ILE 100 HG12 ILE 100 -6.065 12.247 11.534 779 HG13 ILE 100 HG13 ILE 100 -5.358 10.931 10.564 780 HG21 ILE 100 HG21 ILE 100 -7.236 14.053 9.228 781 HG22 ILE 100 HG22 ILE 100 -8.044 13.553 10.745 782 HG23 ILE 100 HG23 ILE 100 -8.777 13.148 9.193 783 HD11 ILE 100 HD11 ILE 100 -5.114 13.883 9.910 784 HD12 ILE 100 HD12 ILE 100 -3.896 12.904 10.768 785 HD13 ILE 100 HD13 ILE 100 -4.305 12.538 9.090 786 H ILE 101 H ILE 101 -7.457 9.420 8.008 787 HA ILE 101 HA ILE 101 -6.323 7.048 9.439 788 HB ILE 101 HB ILE 101 -7.229 7.459 6.534 789 HG12 ILE 101 HG12 ILE 101 -8.594 5.867 8.748 790 HG13 ILE 101 HG13 ILE 101 -9.108 7.464 8.239 791 HG21 ILE 101 HG21 ILE 101 -6.464 4.865 7.931 792 HG22 ILE 101 HG22 ILE 101 -5.413 5.736 6.852 793 HG23 ILE 101 HG23 ILE 101 -6.945 5.051 6.228 794 HD11 ILE 101 HD11 ILE 101 -9.169 4.930 6.558 795 HD12 ILE 101 HD12 ILE 101 -9.617 6.533 5.940 796 HD13 ILE 101 HD13 ILE 101 -10.589 5.791 7.230 797 H THR 102 H THR 102 -4.162 6.772 9.385 798 HA THR 102 HA THR 102 -2.657 8.541 7.505 799 HB THR 102 HB THR 102 -0.774 8.434 9.047 800 HG1 THR 102 HG1 THR 102 -1.036 7.391 11.017 801 HG21 THR 102 HG21 THR 102 -2.491 10.192 9.274 802 HG22 THR 102 HG22 THR 102 -1.781 9.814 10.821 803 HG23 THR 102 HG23 THR 102 -3.354 9.194 10.411 804 H GLN 103 H GLN 103 -3.308 5.243 8.285 805 HA GLN 103 HA GLN 103 -1.639 4.583 5.966 806 HB2 GLN 103 HB2 GLN 103 -1.555 2.875 8.447 807 HB3 GLN 103 HB3 GLN 103 -0.921 2.438 6.860 808 HG2 GLN 103 HG2 GLN 103 0.621 4.417 7.003 809 HG3 GLN 103 HG3 GLN 103 0.050 4.667 8.668 810 HE21 GLN 103 HE21 GLN 103 2.635 3.763 7.210 811 HE22 GLN 103 HE22 GLN 103 3.196 2.378 8.100 812 H GLY 104 H GLY 104 -2.526 2.915 4.691 813 HA2 GLY 104 HA2 GLY 104 -4.192 1.344 4.106 814 HA3 GLY 104 HA3 GLY 104 -4.986 1.641 5.636 815 H ASN 105 H ASN 105 -4.405 4.743 4.318 816 HA ASN 105 HA ASN 105 -7.044 4.661 2.982 817 HB2 ASN 105 HB2 ASN 105 -6.393 6.622 4.477 818 HB3 ASN 105 HB3 ASN 105 -5.144 6.998 3.271 819 HD21 ASN 105 HD21 ASN 105 -5.800 8.844 2.287 820 HD22 ASN 105 HD22 ASN 105 -7.403 9.089 1.610 821 H GLU 106 H GLU 106 -3.609 4.668 2.507 822 HA GLU 106 HA GLU 106 -4.021 4.499 -0.438 823 HB2 GLU 106 HB2 GLU 106 -1.837 5.853 1.126 824 HB3 GLU 106 HB3 GLU 106 -1.826 5.594 -0.627 825 HG2 GLU 106 HG2 GLU 106 -3.951 6.943 -0.763 826 HG3 GLU 106 HG3 GLU 106 -3.802 7.292 0.961 827 H MET 107 H MET 107 -2.168 3.314 -1.346 828 HA MET 107 HA MET 107 -1.839 0.705 -0.288 829 HB2 MET 107 HB2 MET 107 -2.071 1.357 -2.647 830 HB3 MET 107 HB3 MET 107 -0.511 2.222 -2.542 831 HG2 MET 107 HG2 MET 107 -0.797 -0.758 -2.192 832 HG3 MET 107 HG3 MET 107 -0.491 0.042 -3.725 833 HE1 MET 107 HE1 MET 107 1.587 2.421 -3.046 834 HE2 MET 107 HE2 MET 107 1.693 1.300 -4.427 835 HE3 MET 107 HE3 MET 107 3.122 1.555 -3.384 836 H ARG 108 H ARG 108 -0.065 -0.432 0.386 837 HA ARG 108 HA ARG 108 2.560 0.904 0.868 838 HB2 ARG 108 HB2 ARG 108 1.174 1.006 2.987 839 HB3 ARG 108 HB3 ARG 108 0.956 -0.755 2.928 840 HG2 ARG 108 HG2 ARG 108 3.376 -1.022 3.217 841 HG3 ARG 108 HG3 ARG 108 3.581 0.747 3.335 842 HD2 ARG 108 HD2 ARG 108 3.564 -0.226 5.556 843 HD3 ARG 108 HD3 ARG 108 2.119 0.804 5.349 844 HE ARG 108 HE ARG 108 1.343 -1.857 4.707 845 HH11 ARG 108 HH11 ARG 108 2.434 -0.104 7.595 846 HH12 ARG 108 HH12 ARG 108 1.302 -0.991 8.627 847 HH21 ARG 108 HH21 ARG 108 -0.055 -2.901 6.075 848 HH22 ARG 108 HH22 ARG 108 0.062 -2.633 7.794 849 H LEU 109 H LEU 109 4.306 -0.604 0.731 850 HA LEU 109 HA LEU 109 3.695 -3.187 -0.596 851 HB2 LEU 109 HB2 LEU 109 6.174 -1.738 0.248 852 HB3 LEU 109 HB3 LEU 109 6.288 -3.429 -0.185 853 HG LEU 109 HG LEU 109 5.203 -1.307 -2.042 854 HD11 LEU 109 HD11 LEU 109 7.677 -1.081 -1.392 855 HD12 LEU 109 HD12 LEU 109 7.330 -1.276 -3.108 856 HD13 LEU 109 HD13 LEU 109 7.933 -2.660 -2.168 857 HD21 LEU 109 HD21 LEU 109 5.703 -3.058 -3.695 858 HD22 LEU 109 HD22 LEU 109 6.073 -4.144 -2.364 859 HD23 LEU 109 HD23 LEU 109 4.452 -3.556 -2.537 860 H LEU 110 H LEU 110 3.694 -5.235 0.461 861 HA LEU 110 HA LEU 110 4.356 -5.076 3.327 862 HB2 LEU 110 HB2 LEU 110 2.743 -7.174 1.872 863 HB3 LEU 110 HB3 LEU 110 3.058 -7.106 3.603 864 HG LEU 110 HG LEU 110 1.584 -4.945 2.078 865 HD11 LEU 110 HD11 LEU 110 0.570 -7.314 3.698 866 HD12 LEU 110 HD12 LEU 110 0.256 -6.938 1.976 867 HD13 LEU 110 HD13 LEU 110 -0.447 -5.917 3.241 868 HD21 LEU 110 HD21 LEU 110 1.949 -5.443 5.011 869 HD22 LEU 110 HD22 LEU 110 0.855 -4.242 4.313 870 HD23 LEU 110 HD23 LEU 110 2.583 -4.112 4.044 871 H SER 111 H SER 111 4.870 -7.281 0.516 872 HA SER 111 HA SER 111 7.510 -7.978 1.596 873 HB2 SER 111 HB2 SER 111 5.397 -10.069 1.061 874 HB3 SER 111 HB3 SER 111 7.113 -10.363 1.479 875 HG SER 111 HG SER 111 6.578 -9.165 3.462 876 H LEU 112 H LEU 112 8.903 -8.855 -0.011 877 HA LEU 112 HA LEU 112 7.762 -8.971 -2.779 878 HB2 LEU 112 HB2 LEU 112 10.394 -7.710 -1.858 879 HB3 LEU 112 HB3 LEU 112 9.942 -7.973 -3.520 880 HG LEU 112 HG LEU 112 8.154 -6.242 -3.333 881 HD11 LEU 112 HD11 LEU 112 7.553 -5.919 -1.108 882 HD12 LEU 112 HD12 LEU 112 8.711 -4.566 -1.319 883 HD13 LEU 112 HD13 LEU 112 9.221 -6.091 -0.505 884 HD21 LEU 112 HD21 LEU 112 9.757 -4.391 -3.450 885 HD22 LEU 112 HD22 LEU 112 10.525 -5.820 -4.155 886 HD23 LEU 112 HD23 LEU 112 10.956 -5.304 -2.552 887 H GLU 113 H GLU 113 8.667 -10.589 -4.071 888 HA GLU 113 HA GLU 113 10.680 -12.451 -2.776 889 HB2 GLU 113 HB2 GLU 113 8.590 -13.547 -3.607 890 HB3 GLU 113 HB3 GLU 113 8.919 -12.907 -5.239 891 HG2 GLU 113 HG2 GLU 113 9.702 -15.156 -5.270 892 HG3 GLU 113 HG3 GLU 113 11.089 -14.095 -5.254 893 H MET 114 H MET 114 12.773 -12.287 -3.576 894 HA MET 114 HA MET 114 13.107 -10.637 -6.044 895 HB2 MET 114 HB2 MET 114 14.513 -10.264 -3.361 896 HB3 MET 114 HB3 MET 114 14.738 -9.271 -4.826 897 HG2 MET 114 HG2 MET 114 12.356 -8.486 -4.651 898 HG3 MET 114 HG3 MET 114 12.133 -9.545 -3.255 899 HE1 MET 114 HE1 MET 114 12.978 -6.014 -4.262 900 HE2 MET 114 HE2 MET 114 14.514 -6.859 -4.464 901 HE3 MET 114 HE3 MET 114 14.333 -5.636 -3.214 902 H LEU 115 H LEU 115 15.062 -10.827 -7.186 903 HA LEU 115 HA LEU 115 16.730 -13.197 -6.408 904 HB2 LEU 115 HB2 LEU 115 16.512 -11.759 -9.038 905 HB3 LEU 115 HB3 LEU 115 17.530 -13.122 -8.733 906 HG LEU 115 HG LEU 115 14.529 -13.147 -8.611 907 HD11 LEU 115 HD11 LEU 115 16.329 -14.345 -10.729 908 HD12 LEU 115 HD12 LEU 115 15.523 -12.746 -10.902 909 HD13 LEU 115 HD13 LEU 115 14.560 -14.223 -10.757 910 HD21 LEU 115 HD21 LEU 115 16.579 -15.351 -8.506 911 HD22 LEU 115 HD22 LEU 115 14.818 -15.611 -8.680 912 HD23 LEU 115 HD23 LEU 115 15.416 -14.871 -7.206 913 H ALA 116 H ALA 116 18.862 -12.813 -5.742 914 HA ALA 116 HA ALA 116 19.726 -10.093 -5.356 915 HB1 ALA 116 HB1 ALA 116 20.387 -11.953 -3.882 916 HB2 ALA 116 HB2 ALA 116 21.843 -11.174 -4.590 917 HB3 ALA 116 HB3 ALA 116 21.275 -12.737 -5.231 918 H GLU 117 H GLU 117 21.427 -8.936 -6.250 919 HA GLU 117 HA GLU 117 21.758 -9.153 -9.099 920 HB2 GLU 117 HB2 GLU 117 23.148 -7.207 -8.835 921 HB3 GLU 117 HB3 GLU 117 21.755 -7.041 -7.734 922 HG2 GLU 117 HG2 GLU 117 23.247 -7.714 -5.848 923 HG3 GLU 117 HG3 GLU 117 24.607 -7.795 -6.978 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -2.003 9.043 -5.150 2 H2 MET 1 H2 MET 1 -2.264 10.265 -4.085 3 H3 MET 1 H3 MET 1 -2.463 10.550 -5.679 4 HA MET 1 HA MET 1 -4.113 8.776 -4.015 5 HB2 MET 1 HB2 MET 1 -4.527 11.183 -3.673 6 HB3 MET 1 HB3 MET 1 -4.858 11.381 -5.416 7 HG2 MET 1 HG2 MET 1 -6.743 9.832 -5.216 8 HG3 MET 1 HG3 MET 1 -6.428 9.649 -3.476 9 HE1 MET 1 HE1 MET 1 -7.523 13.050 -1.952 10 HE2 MET 1 HE2 MET 1 -5.821 12.853 -2.372 11 HE3 MET 1 HE3 MET 1 -6.743 11.491 -1.648 12 H HIS 2 H HIS 2 -3.532 10.120 -7.334 13 HA HIS 2 HA HIS 2 -5.670 8.557 -8.516 14 HB2 HIS 2 HB2 HIS 2 -3.161 9.784 -9.688 15 HB3 HIS 2 HB3 HIS 2 -4.445 9.092 -10.620 16 HD1 HIS 2 HD1 HIS 2 -3.837 12.031 -11.205 17 HD2 HIS 2 HD2 HIS 2 -6.444 10.781 -8.150 18 HE1 HIS 2 HE1 HIS 2 -5.366 13.987 -10.671 19 HE2 HIS 2 HE2 HIS 2 -6.916 13.247 -8.807 20 H GLU 3 H GLU 3 -5.554 6.534 -9.647 21 HA GLU 3 HA GLU 3 -3.816 4.749 -8.257 22 HB2 GLU 3 HB2 GLU 3 -5.316 4.235 -10.906 23 HB3 GLU 3 HB3 GLU 3 -4.640 3.024 -9.791 24 HG2 GLU 3 HG2 GLU 3 -6.845 4.991 -9.154 25 HG3 GLU 3 HG3 GLU 3 -7.080 3.245 -9.392 26 H TYR 4 H TYR 4 -3.604 6.052 -11.605 27 HA TYR 4 HA TYR 4 -1.368 4.367 -12.281 28 HB2 TYR 4 HB2 TYR 4 -2.515 6.870 -13.495 29 HB3 TYR 4 HB3 TYR 4 -1.118 6.014 -14.175 30 HD1 TYR 4 HD1 TYR 4 -4.803 5.585 -13.455 31 HD2 TYR 4 HD2 TYR 4 -1.336 3.979 -15.470 32 HE1 TYR 4 HE1 TYR 4 -6.252 3.977 -14.617 33 HE2 TYR 4 HE2 TYR 4 -2.814 2.355 -16.608 34 HH TYR 4 HH TYR 4 -6.367 2.372 -16.179 35 H SER 5 H SER 5 -1.728 7.469 -10.590 36 HA SER 5 HA SER 5 1.132 8.031 -10.765 37 HB2 SER 5 HB2 SER 5 -0.580 9.822 -10.341 38 HB3 SER 5 HB3 SER 5 -0.988 9.072 -8.799 39 HG SER 5 HG SER 5 1.003 10.777 -9.401 40 H VAL 6 H VAL 6 -1.009 6.340 -8.398 41 HA VAL 6 HA VAL 6 1.111 6.027 -6.456 42 HB VAL 6 HB VAL 6 -1.429 4.424 -6.798 43 HG11 VAL 6 HG11 VAL 6 0.642 4.486 -4.558 44 HG12 VAL 6 HG12 VAL 6 0.083 3.109 -5.460 45 HG13 VAL 6 HG13 VAL 6 -1.005 3.919 -4.320 46 HG21 VAL 6 HG21 VAL 6 -2.395 5.896 -5.152 47 HG22 VAL 6 HG22 VAL 6 -1.526 7.016 -6.274 48 HG23 VAL 6 HG23 VAL 6 -0.804 6.609 -4.712 49 H VAL 7 H VAL 7 -0.159 3.980 -9.113 50 HA VAL 7 HA VAL 7 1.705 1.857 -8.509 51 HB VAL 7 HB VAL 7 0.253 2.513 -11.083 52 HG11 VAL 7 HG11 VAL 7 2.268 1.105 -11.451 53 HG12 VAL 7 HG12 VAL 7 1.636 -0.030 -10.272 54 HG13 VAL 7 HG13 VAL 7 0.740 0.257 -11.756 55 HG21 VAL 7 HG21 VAL 7 -0.356 0.365 -8.967 56 HG22 VAL 7 HG22 VAL 7 -1.263 1.904 -9.115 57 HG23 VAL 7 HG23 VAL 7 -1.286 0.712 -10.423 58 H SER 8 H SER 8 1.913 4.803 -10.510 59 HA SER 8 HA SER 8 4.413 4.056 -11.729 60 HB2 SER 8 HB2 SER 8 3.082 5.954 -12.582 61 HB3 SER 8 HB3 SER 8 3.446 6.810 -11.056 62 HG SER 8 HG SER 8 4.840 7.399 -12.711 63 H SER 9 H SER 9 3.604 5.575 -8.594 64 HA SER 9 HA SER 9 6.428 5.956 -8.023 65 HB2 SER 9 HB2 SER 9 5.725 6.620 -5.814 66 HB3 SER 9 HB3 SER 9 4.601 7.342 -6.975 67 HG SER 9 HG SER 9 3.387 5.224 -6.509 68 H LEU 10 H LEU 10 4.170 3.386 -7.748 69 HA LEU 10 HA LEU 10 5.479 1.925 -5.640 70 HB2 LEU 10 HB2 LEU 10 3.134 1.421 -6.358 71 HB3 LEU 10 HB3 LEU 10 3.748 0.925 -7.942 72 HG LEU 10 HG LEU 10 4.952 -0.953 -6.959 73 HD11 LEU 10 HD11 LEU 10 5.241 -0.108 -4.623 74 HD12 LEU 10 HD12 LEU 10 4.453 -1.744 -4.675 75 HD13 LEU 10 HD13 LEU 10 3.475 -0.271 -4.344 76 HD21 LEU 10 HD21 LEU 10 3.014 -2.294 -6.713 77 HD22 LEU 10 HD22 LEU 10 1.999 -0.927 -6.188 78 HD23 LEU 10 HD23 LEU 10 2.578 -0.983 -7.871 79 H ILE 11 H ILE 11 5.759 1.961 -9.180 80 HA ILE 11 HA ILE 11 7.446 -0.352 -9.305 81 HB ILE 11 HB ILE 11 7.378 2.013 -11.252 82 HG12 ILE 11 HG12 ILE 11 5.194 0.920 -11.066 83 HG13 ILE 11 HG13 ILE 11 5.936 0.595 -12.621 84 HG21 ILE 11 HG21 ILE 11 9.475 0.723 -11.522 85 HG22 ILE 11 HG22 ILE 11 8.552 -0.788 -11.596 86 HG23 ILE 11 HG23 ILE 11 8.387 0.414 -12.875 87 HD11 ILE 11 HD11 ILE 11 5.758 -1.380 -10.263 88 HD12 ILE 11 HD12 ILE 11 6.521 -1.709 -11.852 89 HD13 ILE 11 HD13 ILE 11 4.775 -1.410 -11.768 90 H ALA 12 H ALA 12 8.062 3.140 -8.923 91 HA ALA 12 HA ALA 12 10.940 2.826 -9.014 92 HB1 ALA 12 HB1 ALA 12 9.856 5.032 -9.381 93 HB2 ALA 12 HB2 ALA 12 11.003 5.069 -8.002 94 HB3 ALA 12 HB3 ALA 12 9.248 4.981 -7.698 95 H LEU 13 H LEU 13 8.526 2.753 -6.474 96 HA LEU 13 HA LEU 13 10.353 2.765 -4.329 97 HB2 LEU 13 HB2 LEU 13 7.899 3.243 -4.222 98 HB3 LEU 13 HB3 LEU 13 7.606 1.522 -4.479 99 HG LEU 13 HG LEU 13 8.678 1.023 -2.311 100 HD11 LEU 13 HD11 LEU 13 9.126 2.839 -0.749 101 HD12 LEU 13 HD12 LEU 13 8.862 4.023 -1.992 102 HD13 LEU 13 HD13 LEU 13 10.227 2.929 -2.132 103 HD21 LEU 13 HD21 LEU 13 6.831 1.999 -0.928 104 HD22 LEU 13 HD22 LEU 13 6.204 1.466 -2.507 105 HD23 LEU 13 HD23 LEU 13 6.505 3.184 -2.198 106 H CYS 14 H CYS 14 8.938 0.224 -6.311 107 HA CYS 14 HA CYS 14 10.009 -1.989 -4.819 108 HB2 CYS 14 HB2 CYS 14 9.127 -1.752 -7.721 109 HB3 CYS 14 HB3 CYS 14 9.543 -3.259 -6.901 110 HG CYS 14 HG CYS 14 7.082 -1.164 -6.363 111 H GLU 15 H GLU 15 11.235 0.055 -7.520 112 HA GLU 15 HA GLU 15 13.584 -1.528 -7.885 113 HB2 GLU 15 HB2 GLU 15 13.135 1.454 -8.350 114 HB3 GLU 15 HB3 GLU 15 14.586 0.610 -8.813 115 HG2 GLU 15 HG2 GLU 15 13.288 -0.847 -10.334 116 HG3 GLU 15 HG3 GLU 15 11.829 0.023 -9.881 117 H GLU 16 H GLU 16 12.861 1.246 -5.615 118 HA GLU 16 HA GLU 16 15.649 1.272 -4.872 119 HB2 GLU 16 HB2 GLU 16 15.173 2.821 -3.162 120 HB3 GLU 16 HB3 GLU 16 14.176 3.242 -4.546 121 HG2 GLU 16 HG2 GLU 16 12.253 2.242 -3.410 122 HG3 GLU 16 HG3 GLU 16 13.292 1.769 -2.079 123 H HIS 17 H HIS 17 12.881 -0.595 -3.772 124 HA HIS 17 HA HIS 17 14.286 -1.595 -1.412 125 HB2 HIS 17 HB2 HIS 17 12.070 -2.779 -3.131 126 HB3 HIS 17 HB3 HIS 17 12.718 -3.563 -1.694 127 HD1 HIS 17 HD1 HIS 17 12.384 -2.592 0.664 128 HD2 HIS 17 HD2 HIS 17 10.124 -0.807 -2.360 129 HE1 HIS 17 HE1 HIS 17 10.565 -1.202 1.790 130 HE2 HIS 17 HE2 HIS 17 9.201 -0.111 -0.040 131 H ALA 18 H ALA 18 14.208 -2.412 -4.882 132 HA ALA 18 HA ALA 18 15.703 -4.799 -4.593 133 HB1 ALA 18 HB1 ALA 18 16.032 -4.690 -6.959 134 HB2 ALA 18 HB2 ALA 18 15.803 -2.947 -6.979 135 HB3 ALA 18 HB3 ALA 18 14.428 -4.026 -6.645 136 H LYS 19 H LYS 19 16.671 -1.376 -4.806 137 HA LYS 19 HA LYS 19 19.509 -1.846 -5.060 138 HB2 LYS 19 HB2 LYS 19 18.004 0.435 -3.815 139 HB3 LYS 19 HB3 LYS 19 19.709 0.467 -4.203 140 HG2 LYS 19 HG2 LYS 19 19.140 0.236 -6.648 141 HG3 LYS 19 HG3 LYS 19 17.412 0.153 -6.154 142 HD2 LYS 19 HD2 LYS 19 17.570 2.392 -5.154 143 HD3 LYS 19 HD3 LYS 19 19.246 2.522 -5.737 144 HE2 LYS 19 HE2 LYS 19 18.454 2.242 -8.038 145 HE3 LYS 19 HE3 LYS 19 16.783 2.083 -7.504 146 HZ1 LYS 19 HZ1 LYS 19 18.492 4.490 -7.070 147 HZ2 LYS 19 HZ2 LYS 19 16.876 4.345 -6.773 148 HZ3 LYS 19 HZ3 LYS 19 17.411 4.299 -8.332 149 H LYS 20 H LYS 20 17.264 -1.540 -2.332 150 HA LYS 20 HA LYS 20 19.238 -1.408 -0.241 151 HB2 LYS 20 HB2 LYS 20 16.342 -2.287 -0.207 152 HB3 LYS 20 HB3 LYS 20 17.375 -2.093 1.226 153 HG2 LYS 20 HG2 LYS 20 17.590 0.303 0.770 154 HG3 LYS 20 HG3 LYS 20 16.553 0.162 -0.649 155 HD2 LYS 20 HD2 LYS 20 14.723 -0.687 0.808 156 HD3 LYS 20 HD3 LYS 20 15.800 -0.486 2.205 157 HE2 LYS 20 HE2 LYS 20 15.971 1.915 1.656 158 HE3 LYS 20 HE3 LYS 20 14.853 1.676 0.311 159 HZ1 LYS 20 HZ1 LYS 20 13.643 2.437 2.290 160 HZ2 LYS 20 HZ2 LYS 20 14.284 1.246 3.242 161 HZ3 LYS 20 HZ3 LYS 20 13.220 0.877 2.051 162 H ASN 21 H ASN 21 17.655 -4.001 -1.994 163 HA ASN 21 HA ASN 21 18.905 -5.960 -0.182 164 HB2 ASN 21 HB2 ASN 21 16.377 -6.032 -0.852 165 HB3 ASN 21 HB3 ASN 21 16.969 -6.506 -2.466 166 HD21 ASN 21 HD21 ASN 21 16.543 -8.594 -2.817 167 HD22 ASN 21 HD22 ASN 21 16.889 -9.876 -1.697 168 H GLN 22 H GLN 22 20.030 -4.326 -2.699 169 HA GLN 22 HA GLN 22 21.599 -4.712 -4.332 170 HB2 GLN 22 HB2 GLN 22 22.267 -7.096 -2.566 171 HB3 GLN 22 HB3 GLN 22 23.289 -6.437 -3.838 172 HG2 GLN 22 HG2 GLN 22 23.413 -4.292 -2.658 173 HG3 GLN 22 HG3 GLN 22 22.409 -4.968 -1.353 174 HE21 GLN 22 HE21 GLN 22 25.529 -4.271 -2.166 175 HE22 GLN 22 HE22 GLN 22 26.359 -5.469 -1.198 176 H ALA 23 H ALA 23 19.092 -5.490 -4.968 177 HA ALA 23 HA ALA 23 19.325 -8.130 -6.369 178 HB1 ALA 23 HB1 ALA 23 16.964 -6.595 -5.266 179 HB2 ALA 23 HB2 ALA 23 17.637 -8.138 -4.651 180 HB3 ALA 23 HB3 ALA 23 16.833 -8.091 -6.250 181 H HIS 24 H HIS 24 18.389 -8.247 -8.487 182 HA HIS 24 HA HIS 24 18.222 -5.574 -9.813 183 HB2 HIS 24 HB2 HIS 24 19.293 -6.444 -11.742 184 HB3 HIS 24 HB3 HIS 24 20.283 -6.861 -10.339 185 HD1 HIS 24 HD1 HIS 24 18.972 -8.214 -13.408 186 HD2 HIS 24 HD2 HIS 24 19.441 -9.817 -9.545 187 HE1 HIS 24 HE1 HIS 24 18.971 -10.760 -13.619 188 HE2 HIS 24 HE2 HIS 24 19.241 -11.669 -11.288 189 H LYS 25 H LYS 25 16.449 -8.491 -9.200 190 HA LYS 25 HA LYS 25 14.519 -7.648 -11.295 191 HB2 LYS 25 HB2 LYS 25 16.092 -9.288 -12.255 192 HB3 LYS 25 HB3 LYS 25 15.592 -10.494 -11.096 193 HG2 LYS 25 HG2 LYS 25 13.729 -9.070 -13.075 194 HG3 LYS 25 HG3 LYS 25 14.685 -10.464 -13.564 195 HD2 LYS 25 HD2 LYS 25 13.593 -11.832 -11.850 196 HD3 LYS 25 HD3 LYS 25 12.644 -10.477 -11.316 197 HE2 LYS 25 HE2 LYS 25 11.303 -11.803 -12.677 198 HE3 LYS 25 HE3 LYS 25 11.612 -10.255 -13.499 199 HZ1 LYS 25 HZ1 LYS 25 11.763 -12.042 -15.034 200 HZ2 LYS 25 HZ2 LYS 25 12.874 -12.851 -14.095 201 HZ3 LYS 25 HZ3 LYS 25 13.252 -11.413 -14.855 202 H ILE 26 H ILE 26 12.372 -7.862 -10.576 203 HA ILE 26 HA ILE 26 12.092 -9.120 -7.894 204 HB ILE 26 HB ILE 26 10.302 -7.022 -9.302 205 HG12 ILE 26 HG12 ILE 26 12.310 -6.709 -6.987 206 HG13 ILE 26 HG13 ILE 26 12.695 -6.261 -8.647 207 HG21 ILE 26 HG21 ILE 26 9.279 -6.832 -7.026 208 HG22 ILE 26 HG22 ILE 26 9.096 -8.454 -7.656 209 HG23 ILE 26 HG23 ILE 26 10.296 -8.119 -6.414 210 HD11 ILE 26 HD11 ILE 26 10.931 -4.605 -8.595 211 HD12 ILE 26 HD12 ILE 26 12.182 -4.317 -7.368 212 HD13 ILE 26 HD13 ILE 26 10.579 -4.999 -6.885 213 H GLU 27 H GLU 27 10.939 -11.012 -7.729 214 HA GLU 27 HA GLU 27 9.498 -12.055 -10.121 215 HB2 GLU 27 HB2 GLU 27 10.065 -13.221 -7.365 216 HB3 GLU 27 HB3 GLU 27 9.232 -14.083 -8.648 217 HG2 GLU 27 HG2 GLU 27 12.086 -13.086 -8.810 218 HG3 GLU 27 HG3 GLU 27 11.577 -14.752 -8.425 219 H ARG 28 H ARG 28 8.825 -10.765 -6.847 220 HA ARG 28 HA ARG 28 5.925 -10.810 -7.489 221 HB2 ARG 28 HB2 ARG 28 6.554 -12.997 -6.274 222 HB3 ARG 28 HB3 ARG 28 7.054 -11.925 -4.930 223 HG2 ARG 28 HG2 ARG 28 4.691 -11.143 -4.720 224 HG3 ARG 28 HG3 ARG 28 4.225 -12.272 -6.015 225 HD2 ARG 28 HD2 ARG 28 5.452 -13.009 -3.296 226 HD3 ARG 28 HD3 ARG 28 3.747 -13.178 -3.758 227 HE ARG 28 HE ARG 28 5.335 -14.620 -5.641 228 HH11 ARG 28 HH11 ARG 28 5.637 -16.815 -5.492 229 HH12 ARG 28 HH12 ARG 28 5.280 -17.670 -4.007 230 HH21 ARG 28 HH21 ARG 28 4.432 -14.839 -2.236 231 HH22 ARG 28 HH22 ARG 28 4.672 -16.554 -2.167 232 H VAL 29 H VAL 29 4.777 -9.166 -6.631 233 HA VAL 29 HA VAL 29 6.091 -7.515 -4.513 234 HB VAL 29 HB VAL 29 4.440 -6.505 -6.879 235 HG11 VAL 29 HG11 VAL 29 4.059 -5.262 -4.770 236 HG12 VAL 29 HG12 VAL 29 5.804 -4.953 -4.697 237 HG13 VAL 29 HG13 VAL 29 4.798 -4.283 -6.021 238 HG21 VAL 29 HG21 VAL 29 6.780 -7.095 -7.498 239 HG22 VAL 29 HG22 VAL 29 7.350 -6.052 -6.160 240 HG23 VAL 29 HG23 VAL 29 6.496 -5.337 -7.572 241 H VAL 30 H VAL 30 4.726 -7.642 -2.653 242 HA VAL 30 HA VAL 30 1.820 -7.930 -3.321 243 HB VAL 30 HB VAL 30 1.465 -9.087 -1.184 244 HG11 VAL 30 HG11 VAL 30 2.003 -11.213 -1.908 245 HG12 VAL 30 HG12 VAL 30 3.613 -10.684 -2.555 246 HG13 VAL 30 HG13 VAL 30 2.077 -10.305 -3.441 247 HG21 VAL 30 HG21 VAL 30 3.328 -10.033 0.071 248 HG22 VAL 30 HG22 VAL 30 3.463 -8.261 0.024 249 HG23 VAL 30 HG23 VAL 30 4.494 -9.218 -1.015 250 H VAL 31 H VAL 31 0.455 -6.449 -2.433 251 HA VAL 31 HA VAL 31 1.824 -4.323 -0.811 252 HB VAL 31 HB VAL 31 0.372 -2.658 -1.966 253 HG11 VAL 31 HG11 VAL 31 2.605 -3.075 -2.871 254 HG12 VAL 31 HG12 VAL 31 1.974 -4.316 -3.947 255 HG13 VAL 31 HG13 VAL 31 1.485 -2.648 -4.175 256 HG21 VAL 31 HG21 VAL 31 -1.523 -4.103 -2.628 257 HG22 VAL 31 HG22 VAL 31 -0.471 -4.961 -3.806 258 HG23 VAL 31 HG23 VAL 31 -0.885 -3.222 -4.037 259 H GLY 32 H GLY 32 0.258 -3.006 0.411 260 HA2 GLY 32 HA2 GLY 32 -2.164 -4.567 1.046 261 HA3 GLY 32 HA3 GLY 32 -1.241 -3.740 2.284 262 H ILE 33 H ILE 33 -4.041 -3.466 0.802 263 HA ILE 33 HA ILE 33 -3.879 -0.473 0.531 264 HB ILE 33 HB ILE 33 -5.538 -2.352 -1.235 265 HG12 ILE 33 HG12 ILE 33 -3.359 -0.308 -1.948 266 HG13 ILE 33 HG13 ILE 33 -3.065 -2.048 -1.843 267 HG21 ILE 33 HG21 ILE 33 -5.367 0.723 -1.285 268 HG22 ILE 33 HG22 ILE 33 -6.376 -0.322 -2.283 269 HG23 ILE 33 HG23 ILE 33 -6.742 -0.210 -0.568 270 HD11 ILE 33 HD11 ILE 33 -4.621 -0.518 -3.955 271 HD12 ILE 33 HD12 ILE 33 -3.276 -1.697 -4.166 272 HD13 ILE 33 HD13 ILE 33 -4.896 -2.270 -3.684 273 H GLY 34 H GLY 34 -5.278 0.524 1.829 274 HA2 GLY 34 HA2 GLY 34 -6.571 -0.981 3.882 275 HA3 GLY 34 HA3 GLY 34 -6.777 0.727 3.514 276 H GLU 35 H GLU 35 -8.652 -1.322 4.389 277 HA GLU 35 HA GLU 35 -10.400 -1.977 2.204 278 HB2 GLU 35 HB2 GLU 35 -11.906 -2.694 3.891 279 HB3 GLU 35 HB3 GLU 35 -10.261 -3.179 4.342 280 HG2 GLU 35 HG2 GLU 35 -10.175 -1.183 5.865 281 HG3 GLU 35 HG3 GLU 35 -11.862 -0.829 5.444 282 H ARG 36 H ARG 36 -10.062 0.982 4.035 283 HA ARG 36 HA ARG 36 -12.471 2.129 2.671 284 HB2 ARG 36 HB2 ARG 36 -11.054 2.993 5.213 285 HB3 ARG 36 HB3 ARG 36 -12.408 3.866 4.444 286 HG2 ARG 36 HG2 ARG 36 -13.854 1.912 4.816 287 HG3 ARG 36 HG3 ARG 36 -12.519 1.064 5.624 288 HD2 ARG 36 HD2 ARG 36 -12.493 2.840 7.372 289 HD3 ARG 36 HD3 ARG 36 -13.815 3.668 6.504 290 HE ARG 36 HE ARG 36 -15.346 2.092 7.313 291 HH11 ARG 36 HH11 ARG 36 -15.985 0.227 8.353 292 HH12 ARG 36 HH12 ARG 36 -14.820 -0.710 9.210 293 HH21 ARG 36 HH21 ARG 36 -12.060 1.125 8.240 294 HH22 ARG 36 HH22 ARG 36 -12.600 -0.376 8.981 295 H SER 37 H SER 37 -9.756 1.772 1.548 296 HA SER 37 HA SER 37 -8.413 4.304 1.771 297 HB2 SER 37 HB2 SER 37 -7.008 3.448 -0.048 298 HB3 SER 37 HB3 SER 37 -7.241 2.215 1.232 299 HG SER 37 HG SER 37 -8.661 1.123 -0.032 300 H ALA 38 H ALA 38 -8.043 5.794 0.029 301 HA ALA 38 HA ALA 38 -10.453 6.604 -1.353 302 HB1 ALA 38 HB1 ALA 38 -8.791 8.231 -0.558 303 HB2 ALA 38 HB2 ALA 38 -8.901 8.305 -2.334 304 HB3 ALA 38 HB3 ALA 38 -7.532 7.467 -1.579 305 H MET 39 H MET 39 -8.166 4.206 -1.966 306 HA MET 39 HA MET 39 -7.773 4.546 -4.794 307 HB2 MET 39 HB2 MET 39 -7.088 2.334 -2.903 308 HB3 MET 39 HB3 MET 39 -6.535 2.404 -4.580 309 HG2 MET 39 HG2 MET 39 -5.424 4.524 -4.128 310 HG3 MET 39 HG3 MET 39 -5.952 4.432 -2.421 311 HE1 MET 39 HE1 MET 39 -4.531 1.682 -4.794 312 HE2 MET 39 HE2 MET 39 -3.635 3.197 -5.079 313 HE3 MET 39 HE3 MET 39 -2.811 1.788 -4.302 314 H ASP 40 H ASP 40 -8.129 3.106 -6.396 315 HA ASP 40 HA ASP 40 -10.605 1.428 -6.228 316 HB2 ASP 40 HB2 ASP 40 -10.757 3.450 -7.692 317 HB3 ASP 40 HB3 ASP 40 -9.390 2.848 -8.613 318 H LYS 41 H LYS 41 -9.883 -0.607 -5.921 319 HA LYS 41 HA LYS 41 -7.302 -1.577 -6.650 320 HB2 LYS 41 HB2 LYS 41 -9.939 -2.960 -5.963 321 HB3 LYS 41 HB3 LYS 41 -8.409 -3.798 -6.133 322 HG2 LYS 41 HG2 LYS 41 -7.419 -2.637 -4.258 323 HG3 LYS 41 HG3 LYS 41 -8.858 -1.638 -4.057 324 HD2 LYS 41 HD2 LYS 41 -8.916 -3.360 -2.408 325 HD3 LYS 41 HD3 LYS 41 -10.146 -3.758 -3.612 326 HE2 LYS 41 HE2 LYS 41 -8.554 -5.352 -4.661 327 HE3 LYS 41 HE3 LYS 41 -7.363 -4.977 -3.429 328 HZ1 LYS 41 HZ1 LYS 41 -10.006 -6.179 -2.888 329 HZ2 LYS 41 HZ2 LYS 41 -8.811 -5.896 -1.786 330 HZ3 LYS 41 HZ3 LYS 41 -8.593 -6.995 -2.975 331 H SER 42 H SER 42 -10.314 -1.620 -8.521 332 HA SER 42 HA SER 42 -9.280 -3.656 -10.313 333 HB2 SER 42 HB2 SER 42 -11.466 -1.631 -10.784 334 HB3 SER 42 HB3 SER 42 -11.125 -3.024 -11.824 335 HG SER 42 HG SER 42 -11.534 -4.375 -9.974 336 H LEU 43 H LEU 43 -9.194 -0.163 -10.228 337 HA LEU 43 HA LEU 43 -7.899 -0.061 -12.821 338 HB2 LEU 43 HB2 LEU 43 -8.150 2.057 -10.729 339 HB3 LEU 43 HB3 LEU 43 -7.588 2.311 -12.354 340 HG LEU 43 HG LEU 43 -10.382 1.408 -11.701 341 HD11 LEU 43 HD11 LEU 43 -11.024 3.726 -12.210 342 HD12 LEU 43 HD12 LEU 43 -9.303 4.139 -12.493 343 HD13 LEU 43 HD13 LEU 43 -9.897 3.697 -10.841 344 HD21 LEU 43 HD21 LEU 43 -9.629 0.733 -13.898 345 HD22 LEU 43 HD22 LEU 43 -9.088 2.409 -14.228 346 HD23 LEU 43 HD23 LEU 43 -10.810 2.045 -14.016 347 H PHE 44 H PHE 44 -6.959 -0.343 -9.508 348 HA PHE 44 HA PHE 44 -4.251 0.447 -9.829 349 HB2 PHE 44 HB2 PHE 44 -5.427 0.222 -7.642 350 HB3 PHE 44 HB3 PHE 44 -5.464 -1.533 -7.901 351 HD1 PHE 44 HD1 PHE 44 -3.467 -2.926 -7.699 352 HD2 PHE 44 HD2 PHE 44 -3.336 1.317 -7.103 353 HE1 PHE 44 HE1 PHE 44 -1.290 -3.121 -6.559 354 HE2 PHE 44 HE2 PHE 44 -1.187 1.081 -5.921 355 HZ PHE 44 HZ PHE 44 -0.123 -1.140 -5.647 356 H VAL 45 H VAL 45 -5.872 -2.762 -10.115 357 HA VAL 45 HA VAL 45 -3.285 -4.053 -10.600 358 HB VAL 45 HB VAL 45 -4.611 -6.073 -11.179 359 HG11 VAL 45 HG11 VAL 45 -4.137 -5.471 -8.785 360 HG12 VAL 45 HG12 VAL 45 -5.679 -6.333 -8.966 361 HG13 VAL 45 HG13 VAL 45 -5.681 -4.605 -8.719 362 HG21 VAL 45 HG21 VAL 45 -7.103 -6.022 -10.990 363 HG22 VAL 45 HG22 VAL 45 -6.497 -5.083 -12.362 364 HG23 VAL 45 HG23 VAL 45 -7.026 -4.262 -10.923 365 H SER 46 H SER 46 -5.607 -2.328 -12.596 366 HA SER 46 HA SER 46 -4.646 -3.542 -15.082 367 HB2 SER 46 HB2 SER 46 -6.886 -2.473 -14.925 368 HB3 SER 46 HB3 SER 46 -6.073 -0.911 -14.613 369 HG SER 46 HG SER 46 -5.666 -2.484 -16.910 370 H ALA 47 H ALA 47 -4.004 -0.646 -13.138 371 HA ALA 47 HA ALA 47 -2.144 0.553 -14.916 372 HB1 ALA 47 HB1 ALA 47 -2.647 0.796 -11.952 373 HB2 ALA 47 HB2 ALA 47 -3.158 1.863 -13.256 374 HB3 ALA 47 HB3 ALA 47 -1.448 1.787 -12.817 375 H PHE 48 H PHE 48 -1.773 -1.952 -12.378 376 HA PHE 48 HA PHE 48 1.092 -1.694 -12.314 377 HB2 PHE 48 HB2 PHE 48 -0.272 -2.841 -10.561 378 HB3 PHE 48 HB3 PHE 48 -0.471 -4.202 -11.692 379 HD1 PHE 48 HD1 PHE 48 1.880 -2.366 -9.546 380 HD2 PHE 48 HD2 PHE 48 1.406 -5.660 -12.281 381 HE1 PHE 48 HE1 PHE 48 4.074 -3.310 -8.824 382 HE2 PHE 48 HE2 PHE 48 3.585 -6.596 -11.538 383 HZ PHE 48 HZ PHE 48 4.929 -5.407 -9.782 384 H GLU 49 H GLU 49 -1.136 -3.556 -14.327 385 HA GLU 49 HA GLU 49 0.943 -5.116 -15.652 386 HB2 GLU 49 HB2 GLU 49 -1.867 -4.277 -16.500 387 HB3 GLU 49 HB3 GLU 49 -0.848 -5.436 -17.408 388 HG2 GLU 49 HG2 GLU 49 -0.836 -6.897 -15.398 389 HG3 GLU 49 HG3 GLU 49 -1.888 -5.732 -14.565 390 H THR 50 H THR 50 -0.475 -1.862 -16.069 391 HA THR 50 HA THR 50 0.675 -1.387 -18.661 392 HB THR 50 HB THR 50 -0.258 0.604 -16.600 393 HG1 THR 50 HG1 THR 50 -1.943 -0.827 -17.078 394 HG21 THR 50 HG21 THR 50 0.980 1.683 -18.359 395 HG22 THR 50 HG22 THR 50 -0.744 1.997 -18.579 396 HG23 THR 50 HG23 THR 50 0.077 0.822 -19.625 397 H PHE 51 H PHE 51 1.687 -0.440 -15.288 398 HA PHE 51 HA PHE 51 4.065 0.896 -16.428 399 HB2 PHE 51 HB2 PHE 51 3.127 0.413 -13.553 400 HB3 PHE 51 HB3 PHE 51 4.597 1.232 -14.001 401 HD1 PHE 51 HD1 PHE 51 0.992 1.743 -13.644 402 HD2 PHE 51 HD2 PHE 51 4.611 3.285 -15.320 403 HE1 PHE 51 HE1 PHE 51 -0.098 3.909 -13.967 404 HE2 PHE 51 HE2 PHE 51 3.526 5.500 -15.723 405 HZ PHE 51 HZ PHE 51 1.144 5.813 -15.118 406 H ARG 52 H ARG 52 3.450 -2.399 -15.108 407 HA ARG 52 HA ARG 52 6.075 -2.649 -14.089 408 HB2 ARG 52 HB2 ARG 52 5.800 -5.013 -14.042 409 HB3 ARG 52 HB3 ARG 52 4.329 -4.276 -13.508 410 HG2 ARG 52 HG2 ARG 52 3.324 -4.740 -15.712 411 HG3 ARG 52 HG3 ARG 52 4.853 -5.527 -16.177 412 HD2 ARG 52 HD2 ARG 52 4.653 -7.082 -14.280 413 HD3 ARG 52 HD3 ARG 52 3.105 -6.311 -13.819 414 HE ARG 52 HE ARG 52 2.909 -7.136 -16.534 415 HH11 ARG 52 HH11 ARG 52 1.832 -8.983 -17.131 416 HH12 ARG 52 HH12 ARG 52 1.590 -10.278 -15.977 417 HH21 ARG 52 HH21 ARG 52 3.230 -8.800 -13.382 418 HH22 ARG 52 HH22 ARG 52 2.319 -10.169 -13.977 419 H GLU 53 H GLU 53 5.005 -2.840 -17.443 420 HA GLU 53 HA GLU 53 7.366 -4.132 -18.434 421 HB2 GLU 53 HB2 GLU 53 6.646 -3.481 -20.556 422 HB3 GLU 53 HB3 GLU 53 5.195 -3.940 -19.680 423 HG2 GLU 53 HG2 GLU 53 4.721 -1.521 -19.343 424 HG3 GLU 53 HG3 GLU 53 6.179 -1.164 -20.245 425 H GLU 54 H GLU 54 6.796 -0.882 -17.354 426 HA GLU 54 HA GLU 54 8.661 0.523 -18.978 427 HB2 GLU 54 HB2 GLU 54 7.659 1.079 -16.183 428 HB3 GLU 54 HB3 GLU 54 8.597 2.175 -17.149 429 HG2 GLU 54 HG2 GLU 54 6.076 1.113 -18.237 430 HG3 GLU 54 HG3 GLU 54 6.108 2.481 -17.137 431 H SER 55 H SER 55 9.143 -1.724 -16.359 432 HA SER 55 HA SER 55 12.021 -1.026 -16.463 433 HB2 SER 55 HB2 SER 55 11.100 0.005 -14.390 434 HB3 SER 55 HB3 SER 55 10.487 -1.578 -13.887 435 HG SER 55 HG SER 55 13.109 -0.567 -13.930 436 H LEU 56 H LEU 56 13.332 -2.743 -16.663 437 HA LEU 56 HA LEU 56 12.214 -5.306 -17.217 438 HB2 LEU 56 HB2 LEU 56 14.402 -4.370 -18.013 439 HB3 LEU 56 HB3 LEU 56 15.053 -4.547 -16.400 440 HG LEU 56 HG LEU 56 15.877 -6.161 -18.023 441 HD11 LEU 56 HD11 LEU 56 15.796 -6.795 -15.607 442 HD12 LEU 56 HD12 LEU 56 15.851 -8.128 -16.755 443 HD13 LEU 56 HD13 LEU 56 14.357 -7.738 -15.966 444 HD21 LEU 56 HD21 LEU 56 13.055 -7.274 -18.055 445 HD22 LEU 56 HD22 LEU 56 14.493 -7.972 -18.856 446 HD23 LEU 56 HD23 LEU 56 13.865 -6.401 -19.409 447 H VAL 57 H VAL 57 13.452 -3.751 -14.371 448 HA VAL 57 HA VAL 57 13.913 -5.950 -12.668 449 HB VAL 57 HB VAL 57 12.987 -3.118 -12.010 450 HG11 VAL 57 HG11 VAL 57 14.145 -3.453 -9.880 451 HG12 VAL 57 HG12 VAL 57 14.392 -5.140 -10.276 452 HG13 VAL 57 HG13 VAL 57 12.731 -4.490 -10.079 453 HG21 VAL 57 HG21 VAL 57 15.037 -3.062 -13.358 454 HG22 VAL 57 HG22 VAL 57 15.798 -4.232 -12.246 455 HG23 VAL 57 HG23 VAL 57 15.398 -2.609 -11.685 456 H CYS 58 H CYS 58 10.814 -4.195 -13.376 457 HA CYS 58 HA CYS 58 9.521 -6.005 -11.396 458 HB2 CYS 58 HB2 CYS 58 8.560 -3.443 -12.614 459 HB3 CYS 58 HB3 CYS 58 7.686 -4.348 -11.378 460 HG CYS 58 HG CYS 58 10.696 -3.048 -11.151 461 H LYS 59 H LYS 59 10.072 -6.049 -14.636 462 HA LYS 59 HA LYS 59 7.472 -6.091 -15.745 463 HB2 LYS 59 HB2 LYS 59 9.617 -5.806 -16.957 464 HB3 LYS 59 HB3 LYS 59 9.962 -7.556 -16.766 465 HG2 LYS 59 HG2 LYS 59 7.915 -8.041 -18.077 466 HG3 LYS 59 HG3 LYS 59 7.519 -6.346 -18.156 467 HD2 LYS 59 HD2 LYS 59 8.493 -6.964 -20.243 468 HD3 LYS 59 HD3 LYS 59 9.661 -5.923 -19.402 469 HE2 LYS 59 HE2 LYS 59 10.821 -7.974 -18.712 470 HE3 LYS 59 HE3 LYS 59 9.675 -8.985 -19.582 471 HZ1 LYS 59 HZ1 LYS 59 11.774 -8.429 -20.826 472 HZ2 LYS 59 HZ2 LYS 59 11.257 -6.836 -20.905 473 HZ3 LYS 59 HZ3 LYS 59 10.374 -8.019 -21.630 474 H ASP 60 H ASP 60 9.201 -8.968 -14.414 475 HA ASP 60 HA ASP 60 6.825 -10.554 -15.301 476 HB2 ASP 60 HB2 ASP 60 9.510 -11.312 -14.099 477 HB3 ASP 60 HB3 ASP 60 8.228 -12.495 -14.495 478 H ALA 61 H ALA 61 7.375 -8.596 -12.771 479 HA ALA 61 HA ALA 61 7.113 -10.278 -10.565 480 HB1 ALA 61 HB1 ALA 61 8.002 -7.903 -10.526 481 HB2 ALA 61 HB2 ALA 61 6.329 -7.346 -10.762 482 HB3 ALA 61 HB3 ALA 61 6.765 -8.250 -9.289 483 H ILE 62 H ILE 62 5.449 -11.064 -9.423 484 HA ILE 62 HA ILE 62 2.748 -10.951 -10.629 485 HB ILE 62 HB ILE 62 3.816 -12.360 -8.117 486 HG12 ILE 62 HG12 ILE 62 3.224 -13.535 -10.837 487 HG13 ILE 62 HG13 ILE 62 4.860 -13.083 -10.289 488 HG21 ILE 62 HG21 ILE 62 1.322 -12.015 -8.033 489 HG22 ILE 62 HG22 ILE 62 1.741 -13.711 -8.180 490 HG23 ILE 62 HG23 ILE 62 1.184 -12.848 -9.645 491 HD11 ILE 62 HD11 ILE 62 4.548 -15.492 -10.033 492 HD12 ILE 62 HD12 ILE 62 3.108 -15.215 -9.031 493 HD13 ILE 62 HD13 ILE 62 4.699 -14.705 -8.439 494 H LEU 63 H LEU 63 1.130 -9.593 -9.830 495 HA LEU 63 HA LEU 63 1.795 -8.039 -7.371 496 HB2 LEU 63 HB2 LEU 63 1.440 -6.907 -9.499 497 HB3 LEU 63 HB3 LEU 63 -0.195 -7.572 -9.607 498 HG LEU 63 HG LEU 63 -0.120 -5.179 -9.040 499 HD11 LEU 63 HD11 LEU 63 -1.844 -5.127 -7.476 500 HD12 LEU 63 HD12 LEU 63 -1.299 -6.572 -6.595 501 HD13 LEU 63 HD13 LEU 63 -2.030 -6.695 -8.210 502 HD21 LEU 63 HD21 LEU 63 1.923 -5.094 -7.650 503 HD22 LEU 63 HD22 LEU 63 1.161 -6.053 -6.382 504 HD23 LEU 63 HD23 LEU 63 0.548 -4.428 -6.764 505 H ASP 64 H ASP 64 0.661 -8.353 -5.549 506 HA ASP 64 HA ASP 64 -2.033 -9.592 -5.715 507 HB2 ASP 64 HB2 ASP 64 -0.201 -11.327 -5.244 508 HB3 ASP 64 HB3 ASP 64 0.075 -10.469 -3.720 509 H ILE 65 H ILE 65 -3.470 -8.330 -4.580 510 HA ILE 65 HA ILE 65 -2.428 -6.393 -2.646 511 HB ILE 65 HB ILE 65 -5.231 -6.717 -3.813 512 HG12 ILE 65 HG12 ILE 65 -3.222 -4.575 -4.558 513 HG13 ILE 65 HG13 ILE 65 -3.416 -6.063 -5.482 514 HG21 ILE 65 HG21 ILE 65 -4.009 -4.497 -2.117 515 HG22 ILE 65 HG22 ILE 65 -5.357 -5.571 -1.635 516 HG23 ILE 65 HG23 ILE 65 -5.574 -4.388 -2.920 517 HD11 ILE 65 HD11 ILE 65 -4.670 -4.260 -6.577 518 HD12 ILE 65 HD12 ILE 65 -5.850 -5.422 -5.919 519 HD13 ILE 65 HD13 ILE 65 -5.534 -3.886 -5.063 520 H VAL 66 H VAL 66 -2.701 -6.518 -0.543 521 HA VAL 66 HA VAL 66 -4.601 -8.546 0.557 522 HB VAL 66 HB VAL 66 -2.171 -7.183 1.815 523 HG11 VAL 66 HG11 VAL 66 -2.527 -8.742 3.673 524 HG12 VAL 66 HG12 VAL 66 -3.931 -7.636 3.517 525 HG13 VAL 66 HG13 VAL 66 -4.016 -9.334 2.916 526 HG21 VAL 66 HG21 VAL 66 -2.699 -9.980 0.750 527 HG22 VAL 66 HG22 VAL 66 -1.327 -9.610 1.853 528 HG23 VAL 66 HG23 VAL 66 -1.426 -8.828 0.258 529 H ASP 67 H ASP 67 -6.431 -7.682 1.528 530 HA ASP 67 HA ASP 67 -6.715 -4.753 1.749 531 HB2 ASP 67 HB2 ASP 67 -8.505 -7.033 2.615 532 HB3 ASP 67 HB3 ASP 67 -8.876 -5.306 2.874 533 H GLU 68 H GLU 68 -6.557 -3.478 3.568 534 HA GLU 68 HA GLU 68 -5.905 -4.945 6.158 535 HB2 GLU 68 HB2 GLU 68 -4.723 -2.334 5.128 536 HB3 GLU 68 HB3 GLU 68 -4.394 -3.019 6.707 537 HG2 GLU 68 HG2 GLU 68 -3.345 -4.994 5.576 538 HG3 GLU 68 HG3 GLU 68 -3.625 -4.134 4.014 539 H LYS 69 H LYS 69 -6.574 -3.943 8.076 540 HA LYS 69 HA LYS 69 -8.940 -2.188 7.880 541 HB2 LYS 69 HB2 LYS 69 -7.320 -3.377 10.172 542 HB3 LYS 69 HB3 LYS 69 -8.493 -2.099 10.434 543 HG2 LYS 69 HG2 LYS 69 -9.587 -4.195 10.912 544 HG3 LYS 69 HG3 LYS 69 -10.243 -3.560 9.383 545 HD2 LYS 69 HD2 LYS 69 -8.799 -5.124 8.147 546 HD3 LYS 69 HD3 LYS 69 -8.153 -5.747 9.675 547 HE2 LYS 69 HE2 LYS 69 -9.855 -7.267 8.901 548 HE3 LYS 69 HE3 LYS 69 -10.411 -6.477 10.381 549 HZ1 LYS 69 HZ1 LYS 69 -11.247 -5.862 7.645 550 HZ2 LYS 69 HZ2 LYS 69 -11.668 -5.006 8.975 551 HZ3 LYS 69 HZ3 LYS 69 -12.142 -6.587 8.855 552 H VAL 70 H VAL 70 -9.044 -0.146 8.660 553 HA VAL 70 HA VAL 70 -6.890 1.668 8.103 554 HB VAL 70 HB VAL 70 -8.422 3.434 8.909 555 HG11 VAL 70 HG11 VAL 70 -10.163 3.144 7.266 556 HG12 VAL 70 HG12 VAL 70 -9.942 1.389 7.250 557 HG13 VAL 70 HG13 VAL 70 -8.672 2.451 6.646 558 HG21 VAL 70 HG21 VAL 70 -9.457 2.464 10.830 559 HG22 VAL 70 HG22 VAL 70 -10.750 2.802 9.673 560 HG23 VAL 70 HG23 VAL 70 -10.168 1.120 9.897 561 H GLU 71 H GLU 71 -5.956 3.247 9.529 562 HA GLU 71 HA GLU 71 -5.854 2.430 12.385 563 HB2 GLU 71 HB2 GLU 71 -3.703 1.943 11.279 564 HB3 GLU 71 HB3 GLU 71 -3.630 3.662 10.814 565 HG2 GLU 71 HG2 GLU 71 -3.635 4.236 13.227 566 HG3 GLU 71 HG3 GLU 71 -3.701 2.490 13.619 567 H LEU 72 H LEU 72 -6.166 4.189 13.853 568 HA LEU 72 HA LEU 72 -6.916 6.702 12.374 569 HB2 LEU 72 HB2 LEU 72 -8.191 5.582 14.864 570 HB3 LEU 72 HB3 LEU 72 -8.649 7.093 14.072 571 HG LEU 72 HG LEU 72 -8.947 4.285 12.845 572 HD11 LEU 72 HD11 LEU 72 -11.010 6.199 13.974 573 HD12 LEU 72 HD12 LEU 72 -10.374 4.759 14.844 574 HD13 LEU 72 HD13 LEU 72 -11.307 4.549 13.334 575 HD21 LEU 72 HD21 LEU 72 -8.765 6.008 11.138 576 HD22 LEU 72 HD22 LEU 72 -10.457 5.528 11.265 577 HD23 LEU 72 HD23 LEU 72 -9.899 7.033 12.011 578 H GLU 73 H GLU 73 -6.479 8.638 13.169 579 HA GLU 73 HA GLU 73 -5.077 8.822 15.818 580 HB2 GLU 73 HB2 GLU 73 -3.465 9.084 13.874 581 HB3 GLU 73 HB3 GLU 73 -4.469 10.434 13.298 582 HG2 GLU 73 HG2 GLU 73 -3.972 11.747 15.308 583 HG3 GLU 73 HG3 GLU 73 -2.975 10.396 15.909 584 H CYS 74 H CYS 74 -5.669 10.579 16.998 585 HA CYS 74 HA CYS 74 -8.253 11.826 16.195 586 HB2 CYS 74 HB2 CYS 74 -8.052 10.330 18.235 587 HB3 CYS 74 HB3 CYS 74 -6.909 11.424 18.879 588 H LYS 75 H LYS 75 -8.363 14.169 16.455 589 HA LYS 75 HA LYS 75 -5.896 15.583 15.892 590 HB2 LYS 75 HB2 LYS 75 -8.549 16.648 16.876 591 HB3 LYS 75 HB3 LYS 75 -7.144 17.623 16.449 592 HG2 LYS 75 HG2 LYS 75 -7.171 16.418 14.163 593 HG3 LYS 75 HG3 LYS 75 -8.694 15.700 14.653 594 HD2 LYS 75 HD2 LYS 75 -9.176 17.464 13.211 595 HD3 LYS 75 HD3 LYS 75 -9.661 18.029 14.820 596 HE2 LYS 75 HE2 LYS 75 -7.508 19.180 15.028 597 HE3 LYS 75 HE3 LYS 75 -7.051 18.604 13.411 598 HZ1 LYS 75 HZ1 LYS 75 -8.787 19.950 12.441 599 HZ2 LYS 75 HZ2 LYS 75 -7.879 20.917 13.412 600 HZ3 LYS 75 HZ3 LYS 75 -9.375 20.407 13.904 601 H ASP 76 H ASP 76 -4.714 16.949 17.560 602 HA ASP 76 HA ASP 76 -3.457 15.058 18.840 603 HB2 ASP 76 HB2 ASP 76 -3.614 17.773 19.886 604 HB3 ASP 76 HB3 ASP 76 -2.388 16.594 20.238 605 H CYS 77 H CYS 77 -4.305 13.579 19.676 606 HA CYS 77 HA CYS 77 -4.755 13.290 22.493 607 HB2 CYS 77 HB2 CYS 77 -7.039 13.781 21.580 608 HB3 CYS 77 HB3 CYS 77 -6.751 12.601 20.342 609 H SER 78 H SER 78 -2.558 12.284 22.056 610 HA SER 78 HA SER 78 -2.240 10.490 19.826 611 HB2 SER 78 HB2 SER 78 -0.317 11.811 20.743 612 HB3 SER 78 HB3 SER 78 -0.487 10.854 22.233 613 HG SER 78 HG SER 78 1.109 10.090 20.723 614 H HIS 79 H HIS 79 -3.360 8.748 19.812 615 HA HIS 79 HA HIS 79 -3.341 6.815 22.017 616 HB2 HIS 79 HB2 HIS 79 -5.633 6.502 21.861 617 HB3 HIS 79 HB3 HIS 79 -5.370 8.215 22.025 618 HD1 HIS 79 HD1 HIS 79 -5.559 9.460 19.403 619 HD2 HIS 79 HD2 HIS 79 -7.097 5.615 19.968 620 HE1 HIS 79 HE1 HIS 79 -6.914 8.890 17.329 621 HE2 HIS 79 HE2 HIS 79 -7.791 6.535 17.616 622 H VAL 80 H VAL 80 -2.087 6.946 19.137 623 HA VAL 80 HA VAL 80 -3.999 5.781 17.436 624 HB VAL 80 HB VAL 80 -0.991 6.013 17.092 625 HG11 VAL 80 HG11 VAL 80 -1.852 4.536 15.402 626 HG12 VAL 80 HG12 VAL 80 -3.176 5.669 15.019 627 HG13 VAL 80 HG13 VAL 80 -1.498 6.132 14.658 628 HG21 VAL 80 HG21 VAL 80 -1.634 8.113 15.800 629 HG22 VAL 80 HG22 VAL 80 -3.229 7.960 16.543 630 HG23 VAL 80 HG23 VAL 80 -1.807 8.199 17.563 631 H PHE 81 H PHE 81 -4.542 3.936 16.796 632 HA PHE 81 HA PHE 81 -3.018 1.452 17.198 633 HB2 PHE 81 HB2 PHE 81 -4.782 0.481 18.601 634 HB3 PHE 81 HB3 PHE 81 -4.301 2.013 19.359 635 HD1 PHE 81 HD1 PHE 81 -5.885 4.143 18.506 636 HD2 PHE 81 HD2 PHE 81 -7.059 -0.008 18.350 637 HE1 PHE 81 HE1 PHE 81 -8.233 4.814 18.406 638 HE2 PHE 81 HE2 PHE 81 -9.478 0.674 18.394 639 HZ PHE 81 HZ PHE 81 -10.038 3.151 18.345 640 H LYS 82 H LYS 82 -4.417 -0.343 16.075 641 HA LYS 82 HA LYS 82 -6.103 0.894 13.918 642 HB2 LYS 82 HB2 LYS 82 -5.209 -1.994 14.221 643 HB3 LYS 82 HB3 LYS 82 -6.226 -1.406 12.914 644 HG2 LYS 82 HG2 LYS 82 -4.120 -1.760 11.992 645 HG3 LYS 82 HG3 LYS 82 -4.416 -0.029 12.012 646 HD2 LYS 82 HD2 LYS 82 -2.922 0.131 13.988 647 HD3 LYS 82 HD3 LYS 82 -2.641 -1.629 13.829 648 HE2 LYS 82 HE2 LYS 82 -1.750 -1.364 11.570 649 HE3 LYS 82 HE3 LYS 82 -2.046 0.401 11.661 650 HZ1 LYS 82 HZ1 LYS 82 -0.228 -1.071 13.525 651 HZ2 LYS 82 HZ2 LYS 82 -0.394 0.576 13.413 652 HZ3 LYS 82 HZ3 LYS 82 0.327 -0.289 12.175 653 HA PRO 83 HA PRO 83 -9.361 -0.324 16.698 654 HB2 PRO 83 HB2 PRO 83 -11.521 0.396 15.187 655 HB3 PRO 83 HB3 PRO 83 -10.565 1.595 16.084 656 HG2 PRO 83 HG2 PRO 83 -10.293 0.731 13.163 657 HG3 PRO 83 HG3 PRO 83 -10.452 2.396 13.852 658 HD2 PRO 83 HD2 PRO 83 -8.121 1.453 13.254 659 HD3 PRO 83 HD3 PRO 83 -8.338 2.386 14.746 660 H ASN 84 H ASN 84 -10.724 -2.202 16.822 661 HA ASN 84 HA ASN 84 -10.620 -3.914 14.443 662 HB2 ASN 84 HB2 ASN 84 -10.676 -4.603 17.392 663 HB3 ASN 84 HB3 ASN 84 -10.663 -5.827 16.101 664 HD21 ASN 84 HD21 ASN 84 -8.782 -4.741 18.310 665 HD22 ASN 84 HD22 ASN 84 -7.242 -4.805 17.497 666 H ALA 85 H ALA 85 -12.905 -2.091 15.965 667 HA ALA 85 HA ALA 85 -15.054 -4.152 15.670 668 HB1 ALA 85 HB1 ALA 85 -14.544 -2.065 17.817 669 HB2 ALA 85 HB2 ALA 85 -14.844 -3.820 18.038 670 HB3 ALA 85 HB3 ALA 85 -16.182 -2.749 17.582 671 H LEU 86 H LEU 86 -17.243 -3.137 15.615 672 HA LEU 86 HA LEU 86 -17.396 -1.535 13.261 673 HB2 LEU 86 HB2 LEU 86 -19.487 -2.279 15.279 674 HB3 LEU 86 HB3 LEU 86 -19.733 -1.660 13.642 675 HG LEU 86 HG LEU 86 -18.411 -4.337 14.282 676 HD11 LEU 86 HD11 LEU 86 -20.855 -4.210 14.844 677 HD12 LEU 86 HD12 LEU 86 -20.452 -5.344 13.568 678 HD13 LEU 86 HD13 LEU 86 -21.167 -3.816 13.173 679 HD21 LEU 86 HD21 LEU 86 -19.275 -3.009 11.677 680 HD22 LEU 86 HD22 LEU 86 -17.650 -3.455 12.173 681 HD23 LEU 86 HD23 LEU 86 -18.846 -4.715 11.837 682 H ASP 87 H ASP 87 -16.644 -0.570 16.279 683 HA ASP 87 HA ASP 87 -18.159 1.922 16.424 684 HB2 ASP 87 HB2 ASP 87 -16.998 2.246 18.481 685 HB3 ASP 87 HB3 ASP 87 -17.565 0.577 18.385 686 H TYR 88 H TYR 88 -16.229 1.242 14.091 687 HA TYR 88 HA TYR 88 -13.923 2.833 14.145 688 HB2 TYR 88 HB2 TYR 88 -15.783 2.351 11.788 689 HB3 TYR 88 HB3 TYR 88 -14.151 2.968 11.649 690 HD1 TYR 88 HD1 TYR 88 -16.233 0.042 11.795 691 HD2 TYR 88 HD2 TYR 88 -12.201 1.433 12.181 692 HE1 TYR 88 HE1 TYR 88 -15.397 -2.294 11.446 693 HE2 TYR 88 HE2 TYR 88 -11.369 -0.928 11.822 694 HH TYR 88 HH TYR 88 -13.637 -3.649 11.304 695 H GLY 89 H GLY 89 -13.406 4.890 13.428 696 HA2 GLY 89 HA2 GLY 89 -13.835 6.972 12.523 697 HA3 GLY 89 HA3 GLY 89 -15.550 6.761 12.674 698 H VAL 90 H VAL 90 -14.094 5.916 15.627 699 HA VAL 90 HA VAL 90 -13.973 8.753 16.588 700 HB VAL 90 HB VAL 90 -14.964 8.063 18.709 701 HG11 VAL 90 HG11 VAL 90 -16.867 7.357 16.474 702 HG12 VAL 90 HG12 VAL 90 -16.339 8.998 16.837 703 HG13 VAL 90 HG13 VAL 90 -17.230 8.099 18.017 704 HG21 VAL 90 HG21 VAL 90 -15.704 5.447 17.411 705 HG22 VAL 90 HG22 VAL 90 -16.090 6.012 19.083 706 HG23 VAL 90 HG23 VAL 90 -14.426 5.645 18.622 707 H CYS 91 H CYS 91 -12.671 8.949 18.471 708 HA CYS 91 HA CYS 91 -10.215 7.267 18.452 709 HB2 CYS 91 HB2 CYS 91 -10.240 9.758 18.896 710 HB3 CYS 91 HB3 CYS 91 -11.269 9.437 20.355 711 H GLU 92 H GLU 92 -9.597 6.125 20.462 712 HA GLU 92 HA GLU 92 -12.009 5.027 21.880 713 HB2 GLU 92 HB2 GLU 92 -10.855 3.076 22.403 714 HB3 GLU 92 HB3 GLU 92 -10.667 3.345 20.693 715 HG2 GLU 92 HG2 GLU 92 -8.323 4.129 21.142 716 HG3 GLU 92 HG3 GLU 92 -8.564 3.893 22.838 717 H LYS 93 H LYS 93 -9.258 6.979 22.266 718 HA LYS 93 HA LYS 93 -8.664 6.511 25.062 719 HB2 LYS 93 HB2 LYS 93 -7.210 7.601 23.265 720 HB3 LYS 93 HB3 LYS 93 -8.207 8.999 23.396 721 HG2 LYS 93 HG2 LYS 93 -6.330 9.439 24.622 722 HG3 LYS 93 HG3 LYS 93 -7.565 9.080 25.824 723 HD2 LYS 93 HD2 LYS 93 -6.711 6.801 25.935 724 HD3 LYS 93 HD3 LYS 93 -5.476 7.144 24.744 725 HE2 LYS 93 HE2 LYS 93 -4.609 8.919 26.273 726 HE3 LYS 93 HE3 LYS 93 -5.817 8.395 27.453 727 HZ1 LYS 93 HZ1 LYS 93 -4.835 6.095 27.224 728 HZ2 LYS 93 HZ2 LYS 93 -3.839 7.207 27.920 729 HZ3 LYS 93 HZ3 LYS 93 -3.623 6.784 26.364 730 H CYS 94 H CYS 94 -10.677 8.488 23.110 731 HA CYS 94 HA CYS 94 -12.490 9.375 25.243 732 HB2 CYS 94 HB2 CYS 94 -12.481 11.658 24.385 733 HB3 CYS 94 HB3 CYS 94 -10.796 11.305 24.842 734 H HIS 95 H HIS 95 -14.602 9.919 23.776 735 HA HIS 95 HA HIS 95 -14.240 8.259 21.254 736 HB2 HIS 95 HB2 HIS 95 -16.761 8.441 22.985 737 HB3 HIS 95 HB3 HIS 95 -16.570 7.579 21.442 738 HD1 HIS 95 HD1 HIS 95 -16.055 7.222 25.112 739 HD2 HIS 95 HD2 HIS 95 -14.765 5.327 21.599 740 HE1 HIS 95 HE1 HIS 95 -15.104 4.966 25.760 741 HE2 HIS 95 HE2 HIS 95 -14.492 3.739 23.607 742 H SER 96 H SER 96 -13.818 11.034 21.667 743 HA SER 96 HA SER 96 -16.089 12.403 20.452 744 HB2 SER 96 HB2 SER 96 -14.646 13.645 21.917 745 HB3 SER 96 HB3 SER 96 -13.247 13.301 20.856 746 HG SER 96 HG SER 96 -14.040 14.621 19.311 747 H LYS 97 H LYS 97 -16.353 12.979 18.284 748 HA LYS 97 HA LYS 97 -14.747 11.516 16.233 749 HB2 LYS 97 HB2 LYS 97 -16.903 13.674 16.012 750 HB3 LYS 97 HB3 LYS 97 -16.139 12.834 14.675 751 HG2 LYS 97 HG2 LYS 97 -17.011 10.683 15.528 752 HG3 LYS 97 HG3 LYS 97 -17.821 11.512 16.837 753 HD2 LYS 97 HD2 LYS 97 -19.454 11.082 15.202 754 HD3 LYS 97 HD3 LYS 97 -19.099 12.819 15.079 755 HE2 LYS 97 HE2 LYS 97 -17.609 12.349 13.134 756 HE3 LYS 97 HE3 LYS 97 -18.080 10.648 13.256 757 HZ1 LYS 97 HZ1 LYS 97 -20.362 11.257 12.922 758 HZ2 LYS 97 HZ2 LYS 97 -19.441 11.748 11.648 759 HZ3 LYS 97 HZ3 LYS 97 -19.958 12.870 12.773 760 H ASN 98 H ASN 98 -13.676 12.784 14.611 761 HA ASN 98 HA ASN 98 -12.593 14.794 13.809 762 HB2 ASN 98 HB2 ASN 98 -11.920 15.426 16.666 763 HB3 ASN 98 HB3 ASN 98 -11.241 16.160 15.259 764 HD21 ASN 98 HD21 ASN 98 -12.761 17.411 17.382 765 HD22 ASN 98 HD22 ASN 98 -14.083 18.233 16.573 766 H VAL 99 H VAL 99 -12.119 12.272 13.568 767 HA VAL 99 HA VAL 99 -9.304 11.985 14.427 768 HB VAL 99 HB VAL 99 -9.606 9.524 14.295 769 HG11 VAL 99 HG11 VAL 99 -10.017 10.781 16.419 770 HG12 VAL 99 HG12 VAL 99 -11.743 10.620 16.138 771 HG13 VAL 99 HG13 VAL 99 -10.699 9.178 16.327 772 HG21 VAL 99 HG21 VAL 99 -11.422 9.363 12.702 773 HG22 VAL 99 HG22 VAL 99 -12.554 10.131 13.800 774 HG23 VAL 99 HG23 VAL 99 -11.905 8.526 14.168 775 H ILE 100 H ILE 100 -8.039 10.763 12.765 776 HA ILE 100 HA ILE 100 -9.179 11.111 10.016 777 HB ILE 100 HB ILE 100 -6.926 11.919 9.239 778 HG12 ILE 100 HG12 ILE 100 -6.210 12.204 12.184 779 HG13 ILE 100 HG13 ILE 100 -5.679 10.860 11.190 780 HG21 ILE 100 HG21 ILE 100 -7.787 13.791 11.516 781 HG22 ILE 100 HG22 ILE 100 -8.828 13.555 10.032 782 HG23 ILE 100 HG23 ILE 100 -7.146 14.192 9.918 783 HD11 ILE 100 HD11 ILE 100 -4.900 13.747 11.007 784 HD12 ILE 100 HD12 ILE 100 -4.720 12.668 9.594 785 HD13 ILE 100 HD13 ILE 100 -3.857 12.321 11.109 786 H ILE 101 H ILE 101 -7.907 9.807 8.479 787 HA ILE 101 HA ILE 101 -7.119 7.215 9.762 788 HB ILE 101 HB ILE 101 -7.698 7.875 6.827 789 HG12 ILE 101 HG12 ILE 101 -9.311 6.222 8.820 790 HG13 ILE 101 HG13 ILE 101 -9.681 7.900 8.412 791 HG21 ILE 101 HG21 ILE 101 -7.168 5.238 8.285 792 HG22 ILE 101 HG22 ILE 101 -7.624 5.353 6.574 793 HG23 ILE 101 HG23 ILE 101 -6.068 5.988 7.150 794 HD11 ILE 101 HD11 ILE 101 -11.161 6.454 7.119 795 HD12 ILE 101 HD12 ILE 101 -9.991 7.214 6.048 796 HD13 ILE 101 HD13 ILE 101 -9.767 5.530 6.496 797 H THR 102 H THR 102 -5.031 6.712 9.962 798 HA THR 102 HA THR 102 -3.091 8.500 8.556 799 HB THR 102 HB THR 102 -1.444 7.675 10.224 800 HG1 THR 102 HG1 THR 102 -2.008 6.084 11.594 801 HG21 THR 102 HG21 THR 102 -4.034 8.354 11.641 802 HG22 THR 102 HG22 THR 102 -3.153 9.554 10.671 803 HG23 THR 102 HG23 THR 102 -2.361 8.796 12.095 804 H GLN 103 H GLN 103 -3.997 5.129 8.979 805 HA GLN 103 HA GLN 103 -2.283 4.460 6.664 806 HB2 GLN 103 HB2 GLN 103 -2.637 2.769 9.149 807 HB3 GLN 103 HB3 GLN 103 -1.816 2.243 7.674 808 HG2 GLN 103 HG2 GLN 103 -0.153 4.053 7.997 809 HG3 GLN 103 HG3 GLN 103 -0.979 4.561 9.480 810 HE21 GLN 103 HE21 GLN 103 1.455 4.141 10.028 811 HE22 GLN 103 HE22 GLN 103 1.769 2.579 10.746 812 H GLY 104 H GLY 104 -3.247 2.888 5.297 813 HA2 GLY 104 HA2 GLY 104 -4.998 1.477 4.668 814 HA3 GLY 104 HA3 GLY 104 -5.939 1.953 6.071 815 H ASN 105 H ASN 105 -4.674 4.771 4.615 816 HA ASN 105 HA ASN 105 -7.262 5.255 3.230 817 HB2 ASN 105 HB2 ASN 105 -6.312 6.887 4.833 818 HB3 ASN 105 HB3 ASN 105 -4.981 7.183 3.650 819 HD21 ASN 105 HD21 ASN 105 -5.405 9.157 2.851 820 HD22 ASN 105 HD22 ASN 105 -6.967 9.644 2.197 821 H GLU 106 H GLU 106 -3.924 4.618 2.760 822 HA GLU 106 HA GLU 106 -4.162 4.681 -0.214 823 HB2 GLU 106 HB2 GLU 106 -1.974 6.017 1.419 824 HB3 GLU 106 HB3 GLU 106 -1.971 5.736 -0.315 825 HG2 GLU 106 HG2 GLU 106 -4.048 7.114 -0.494 826 HG3 GLU 106 HG3 GLU 106 -3.905 7.467 1.243 827 H MET 107 H MET 107 -2.050 3.698 -1.053 828 HA MET 107 HA MET 107 -1.838 1.038 -0.201 829 HB2 MET 107 HB2 MET 107 -1.528 1.928 -2.509 830 HB3 MET 107 HB3 MET 107 0.018 2.633 -1.927 831 HG2 MET 107 HG2 MET 107 0.864 0.338 -1.518 832 HG3 MET 107 HG3 MET 107 -0.653 -0.289 -2.156 833 HE1 MET 107 HE1 MET 107 1.815 2.778 -3.072 834 HE2 MET 107 HE2 MET 107 2.743 2.028 -4.398 835 HE3 MET 107 HE3 MET 107 2.830 1.361 -2.766 836 H ARG 108 H ARG 108 -0.190 -0.274 0.651 837 HA ARG 108 HA ARG 108 2.257 1.031 1.820 838 HB2 ARG 108 HB2 ARG 108 0.450 0.297 3.531 839 HB3 ARG 108 HB3 ARG 108 0.685 -1.320 2.859 840 HG2 ARG 108 HG2 ARG 108 3.168 -1.110 3.582 841 HG3 ARG 108 HG3 ARG 108 2.643 0.335 4.512 842 HD2 ARG 108 HD2 ARG 108 1.645 -2.529 4.740 843 HD3 ARG 108 HD3 ARG 108 2.667 -1.700 5.916 844 HE ARG 108 HE ARG 108 -0.240 -1.524 5.575 845 HH11 ARG 108 HH11 ARG 108 -1.412 -0.531 7.087 846 HH12 ARG 108 HH12 ARG 108 -0.692 0.528 8.250 847 HH21 ARG 108 HH21 ARG 108 2.539 0.140 7.031 848 HH22 ARG 108 HH22 ARG 108 1.504 0.910 8.217 849 H LEU 109 H LEU 109 4.201 -0.440 1.453 850 HA LEU 109 HA LEU 109 3.673 -2.790 -0.324 851 HB2 LEU 109 HB2 LEU 109 6.055 -1.154 0.347 852 HB3 LEU 109 HB3 LEU 109 6.331 -2.882 0.131 853 HG LEU 109 HG LEU 109 5.050 -1.167 -1.960 854 HD11 LEU 109 HD11 LEU 109 7.372 -0.558 -1.452 855 HD12 LEU 109 HD12 LEU 109 7.137 -1.142 -3.075 856 HD13 LEU 109 HD13 LEU 109 7.862 -2.178 -1.837 857 HD21 LEU 109 HD21 LEU 109 4.504 -3.600 -2.067 858 HD22 LEU 109 HD22 LEU 109 6.242 -3.982 -2.039 859 HD23 LEU 109 HD23 LEU 109 5.529 -3.129 -3.405 860 H LEU 110 H LEU 110 3.773 -4.871 0.476 861 HA LEU 110 HA LEU 110 4.307 -4.993 3.412 862 HB2 LEU 110 HB2 LEU 110 2.968 -7.040 1.597 863 HB3 LEU 110 HB3 LEU 110 3.205 -7.242 3.318 864 HG LEU 110 HG LEU 110 1.511 -5.052 2.046 865 HD11 LEU 110 HD11 LEU 110 0.695 -7.685 3.378 866 HD12 LEU 110 HD12 LEU 110 0.565 -7.254 1.591 867 HD13 LEU 110 HD13 LEU 110 -0.405 -6.328 2.802 868 HD21 LEU 110 HD21 LEU 110 0.676 -4.685 4.284 869 HD22 LEU 110 HD22 LEU 110 2.461 -4.572 4.319 870 HD23 LEU 110 HD23 LEU 110 1.648 -6.002 4.925 871 H SER 111 H SER 111 5.114 -6.881 0.428 872 HA SER 111 HA SER 111 7.799 -7.557 1.523 873 HB2 SER 111 HB2 SER 111 5.762 -9.704 0.735 874 HB3 SER 111 HB3 SER 111 7.470 -9.988 1.138 875 HG SER 111 HG SER 111 7.046 -9.181 3.192 876 H LEU 112 H LEU 112 9.207 -8.414 -0.164 877 HA LEU 112 HA LEU 112 7.967 -8.483 -2.903 878 HB2 LEU 112 HB2 LEU 112 10.640 -7.187 -2.200 879 HB3 LEU 112 HB3 LEU 112 10.049 -7.544 -3.829 880 HG LEU 112 HG LEU 112 8.253 -5.841 -3.522 881 HD11 LEU 112 HD11 LEU 112 8.876 -4.048 -1.720 882 HD12 LEU 112 HD12 LEU 112 7.945 -5.466 -1.211 883 HD13 LEU 112 HD13 LEU 112 9.701 -5.394 -0.908 884 HD21 LEU 112 HD21 LEU 112 11.112 -4.962 -3.175 885 HD22 LEU 112 HD22 LEU 112 10.340 -5.447 -4.712 886 HD23 LEU 112 HD23 LEU 112 9.789 -3.966 -3.843 887 H GLU 113 H GLU 113 8.878 -10.097 -4.187 888 HA GLU 113 HA GLU 113 10.938 -11.795 -2.835 889 HB2 GLU 113 HB2 GLU 113 8.845 -12.969 -3.440 890 HB3 GLU 113 HB3 GLU 113 9.082 -12.514 -5.132 891 HG2 GLU 113 HG2 GLU 113 9.768 -14.781 -4.890 892 HG3 GLU 113 HG3 GLU 113 11.229 -13.813 -5.066 893 H MET 114 H MET 114 13.025 -11.479 -3.681 894 HA MET 114 HA MET 114 13.192 -10.356 -6.438 895 HB2 MET 114 HB2 MET 114 14.579 -9.341 -3.939 896 HB3 MET 114 HB3 MET 114 14.860 -8.742 -5.550 897 HG2 MET 114 HG2 MET 114 12.467 -8.114 -5.695 898 HG3 MET 114 HG3 MET 114 12.248 -8.603 -4.001 899 HE1 MET 114 HE1 MET 114 14.191 -5.863 -2.083 900 HE2 MET 114 HE2 MET 114 14.505 -7.606 -2.364 901 HE3 MET 114 HE3 MET 114 12.862 -7.048 -1.963 902 H LEU 115 H LEU 115 15.083 -10.687 -7.584 903 HA LEU 115 HA LEU 115 16.759 -12.933 -6.618 904 HB2 LEU 115 HB2 LEU 115 16.557 -11.686 -9.372 905 HB3 LEU 115 HB3 LEU 115 17.552 -13.092 -8.925 906 HG LEU 115 HG LEU 115 14.536 -12.963 -8.940 907 HD11 LEU 115 HD11 LEU 115 14.726 -14.343 -10.944 908 HD12 LEU 115 HD12 LEU 115 16.479 -14.406 -10.785 909 HD13 LEU 115 HD13 LEU 115 15.677 -12.890 -11.188 910 HD21 LEU 115 HD21 LEU 115 14.621 -15.383 -8.772 911 HD22 LEU 115 HD22 LEU 115 15.271 -14.582 -7.313 912 HD23 LEU 115 HD23 LEU 115 16.382 -15.310 -8.497 913 H ALA 116 H ALA 116 18.943 -12.662 -6.150 914 HA ALA 116 HA ALA 116 19.899 -9.988 -5.695 915 HB1 ALA 116 HB1 ALA 116 22.021 -11.094 -5.173 916 HB2 ALA 116 HB2 ALA 116 21.520 -12.611 -5.973 917 HB3 ALA 116 HB3 ALA 116 20.691 -12.068 -4.464 918 H GLU 117 H GLU 117 21.580 -8.860 -6.668 919 HA GLU 117 HA GLU 117 21.584 -8.850 -9.522 920 HB2 GLU 117 HB2 GLU 117 22.992 -6.966 -9.395 921 HB3 GLU 117 HB3 GLU 117 21.826 -6.900 -8.057 922 HG2 GLU 117 HG2 GLU 117 23.532 -7.723 -6.455 923 HG3 GLU 117 HG3 GLU 117 24.672 -7.743 -7.728 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -2.309 9.076 -5.094 2 H2 MET 1 H2 MET 1 -2.528 10.368 -4.088 3 H3 MET 1 H3 MET 1 -2.710 10.564 -5.720 4 HA MET 1 HA MET 1 -4.404 8.975 -3.955 5 HB2 MET 1 HB2 MET 1 -4.674 11.400 -3.779 6 HB3 MET 1 HB3 MET 1 -5.020 11.483 -5.521 7 HG2 MET 1 HG2 MET 1 -6.963 10.008 -5.204 8 HG3 MET 1 HG3 MET 1 -6.641 9.961 -3.460 9 HE1 MET 1 HE1 MET 1 -7.288 11.883 -1.826 10 HE2 MET 1 HE2 MET 1 -7.675 13.528 -2.318 11 HE3 MET 1 HE3 MET 1 -6.009 12.909 -2.531 12 H HIS 2 H HIS 2 -3.773 10.047 -7.354 13 HA HIS 2 HA HIS 2 -5.956 8.543 -8.418 14 HB2 HIS 2 HB2 HIS 2 -3.380 9.460 -9.659 15 HB3 HIS 2 HB3 HIS 2 -4.723 8.894 -10.627 16 HD1 HIS 2 HD1 HIS 2 -3.834 11.573 -11.426 17 HD2 HIS 2 HD2 HIS 2 -6.620 11.014 -8.327 18 HE1 HIS 2 HE1 HIS 2 -5.071 13.782 -11.047 19 HE2 HIS 2 HE2 HIS 2 -6.810 13.378 -9.277 20 H GLU 3 H GLU 3 -5.964 6.294 -9.230 21 HA GLU 3 HA GLU 3 -4.072 4.654 -7.814 22 HB2 GLU 3 HB2 GLU 3 -5.882 3.975 -10.167 23 HB3 GLU 3 HB3 GLU 3 -4.965 2.815 -9.204 24 HG2 GLU 3 HG2 GLU 3 -7.190 2.722 -8.328 25 HG3 GLU 3 HG3 GLU 3 -6.327 3.705 -7.153 26 H TYR 4 H TYR 4 -4.164 5.686 -11.254 27 HA TYR 4 HA TYR 4 -1.920 3.986 -12.029 28 HB2 TYR 4 HB2 TYR 4 -3.258 6.423 -13.293 29 HB3 TYR 4 HB3 TYR 4 -1.880 5.589 -13.992 30 HD1 TYR 4 HD1 TYR 4 -2.099 3.484 -15.188 31 HD2 TYR 4 HD2 TYR 4 -5.468 5.121 -13.025 32 HE1 TYR 4 HE1 TYR 4 -3.600 1.834 -16.223 33 HE2 TYR 4 HE2 TYR 4 -6.946 3.377 -14.034 34 HH TYR 4 HH TYR 4 -5.656 0.911 -16.289 35 H SER 5 H SER 5 -2.163 7.178 -10.540 36 HA SER 5 HA SER 5 0.622 7.825 -11.107 37 HB2 SER 5 HB2 SER 5 -1.025 9.613 -10.719 38 HB3 SER 5 HB3 SER 5 -1.282 8.975 -9.084 39 HG SER 5 HG SER 5 1.115 10.073 -10.144 40 H VAL 6 H VAL 6 -1.174 6.322 -8.398 41 HA VAL 6 HA VAL 6 1.145 6.251 -6.653 42 HB VAL 6 HB VAL 6 -1.331 4.490 -6.683 43 HG11 VAL 6 HG11 VAL 6 -0.672 4.193 -4.211 44 HG12 VAL 6 HG12 VAL 6 0.900 4.904 -4.661 45 HG13 VAL 6 HG13 VAL 6 0.394 3.356 -5.432 46 HG21 VAL 6 HG21 VAL 6 -2.185 5.951 -4.914 47 HG22 VAL 6 HG22 VAL 6 -1.710 6.971 -6.323 48 HG23 VAL 6 HG23 VAL 6 -0.661 6.880 -4.923 49 H VAL 7 H VAL 7 -0.245 3.961 -9.059 50 HA VAL 7 HA VAL 7 1.772 1.964 -8.549 51 HB VAL 7 HB VAL 7 0.045 2.468 -10.981 52 HG11 VAL 7 HG11 VAL 7 0.581 0.193 -11.593 53 HG12 VAL 7 HG12 VAL 7 1.669 0.054 -10.155 54 HG13 VAL 7 HG13 VAL 7 2.041 1.169 -11.544 55 HG21 VAL 7 HG21 VAL 7 -0.193 0.417 -8.703 56 HG22 VAL 7 HG22 VAL 7 -1.194 1.871 -8.859 57 HG23 VAL 7 HG23 VAL 7 -1.326 0.578 -10.064 58 H SER 8 H SER 8 1.684 4.849 -10.733 59 HA SER 8 HA SER 8 4.037 4.049 -12.210 60 HB2 SER 8 HB2 SER 8 2.531 5.920 -12.932 61 HB3 SER 8 HB3 SER 8 3.006 6.866 -11.511 62 HG SER 8 HG SER 8 4.218 7.417 -13.406 63 H SER 9 H SER 9 3.510 5.746 -9.034 64 HA SER 9 HA SER 9 6.417 6.224 -8.868 65 HB2 SER 9 HB2 SER 9 5.980 6.943 -6.585 66 HB3 SER 9 HB3 SER 9 4.774 7.692 -7.656 67 HG SER 9 HG SER 9 3.443 5.769 -7.007 68 H LEU 10 H LEU 10 4.218 3.624 -8.091 69 HA LEU 10 HA LEU 10 5.717 2.285 -6.075 70 HB2 LEU 10 HB2 LEU 10 3.348 1.793 -6.587 71 HB3 LEU 10 HB3 LEU 10 3.845 1.078 -8.126 72 HG LEU 10 HG LEU 10 5.133 -0.602 -6.930 73 HD11 LEU 10 HD11 LEU 10 4.253 -0.842 -4.364 74 HD12 LEU 10 HD12 LEU 10 4.369 0.948 -4.505 75 HD13 LEU 10 HD13 LEU 10 5.790 -0.056 -4.792 76 HD21 LEU 10 HD21 LEU 10 2.234 -0.435 -6.035 77 HD22 LEU 10 HD22 LEU 10 2.787 -0.981 -7.667 78 HD23 LEU 10 HD23 LEU 10 3.210 -1.917 -6.197 79 H ILE 11 H ILE 11 5.840 2.097 -9.627 80 HA ILE 11 HA ILE 11 7.503 -0.222 -9.618 81 HB ILE 11 HB ILE 11 7.434 2.042 -11.706 82 HG12 ILE 11 HG12 ILE 11 5.195 1.075 -11.363 83 HG13 ILE 11 HG13 ILE 11 5.856 0.591 -12.934 84 HG21 ILE 11 HG21 ILE 11 8.496 -0.807 -11.983 85 HG22 ILE 11 HG22 ILE 11 9.441 0.649 -12.006 86 HG23 ILE 11 HG23 ILE 11 8.283 0.310 -13.290 87 HD11 ILE 11 HD11 ILE 11 5.670 -1.192 -10.429 88 HD12 ILE 11 HD12 ILE 11 6.401 -1.703 -11.976 89 HD13 ILE 11 HD13 ILE 11 4.677 -1.303 -11.897 90 H ALA 12 H ALA 12 8.335 3.270 -9.512 91 HA ALA 12 HA ALA 12 11.166 2.774 -9.563 92 HB1 ALA 12 HB1 ALA 12 10.390 4.884 -10.233 93 HB2 ALA 12 HB2 ALA 12 11.251 5.158 -8.703 94 HB3 ALA 12 HB3 ALA 12 9.468 5.141 -8.703 95 H LEU 13 H LEU 13 8.699 3.064 -7.052 96 HA LEU 13 HA LEU 13 10.515 3.236 -4.859 97 HB2 LEU 13 HB2 LEU 13 8.076 3.696 -4.777 98 HB3 LEU 13 HB3 LEU 13 7.756 1.985 -5.029 99 HG LEU 13 HG LEU 13 8.819 1.534 -2.854 100 HD11 LEU 13 HD11 LEU 13 8.934 4.531 -2.757 101 HD12 LEU 13 HD12 LEU 13 10.289 3.365 -2.644 102 HD13 LEU 13 HD13 LEU 13 9.087 3.463 -1.312 103 HD21 LEU 13 HD21 LEU 13 6.364 1.811 -3.046 104 HD22 LEU 13 HD22 LEU 13 6.574 3.561 -2.752 105 HD23 LEU 13 HD23 LEU 13 6.996 2.396 -1.502 106 H CYS 14 H CYS 14 9.140 0.544 -6.752 107 HA CYS 14 HA CYS 14 10.146 -1.477 -4.918 108 HB2 CYS 14 HB2 CYS 14 9.350 -1.569 -7.887 109 HB3 CYS 14 HB3 CYS 14 9.740 -2.973 -6.915 110 HG CYS 14 HG CYS 14 7.238 -0.898 -6.783 111 H GLU 15 H GLU 15 11.501 0.381 -7.685 112 HA GLU 15 HA GLU 15 13.717 -1.413 -8.077 113 HB2 GLU 15 HB2 GLU 15 13.548 1.583 -8.582 114 HB3 GLU 15 HB3 GLU 15 14.820 0.528 -9.147 115 HG2 GLU 15 HG2 GLU 15 13.218 -0.716 -10.511 116 HG3 GLU 15 HG3 GLU 15 11.979 0.358 -9.978 117 H GLU 16 H GLU 16 13.167 1.317 -5.783 118 HA GLU 16 HA GLU 16 15.976 1.294 -5.059 119 HB2 GLU 16 HB2 GLU 16 15.580 2.779 -3.281 120 HB3 GLU 16 HB3 GLU 16 14.583 3.311 -4.632 121 HG2 GLU 16 HG2 GLU 16 12.660 2.280 -3.485 122 HG3 GLU 16 HG3 GLU 16 13.695 1.692 -2.238 123 H HIS 17 H HIS 17 13.181 -0.480 -3.966 124 HA HIS 17 HA HIS 17 14.464 -1.526 -1.595 125 HB2 HIS 17 HB2 HIS 17 12.122 -2.545 -3.223 126 HB3 HIS 17 HB3 HIS 17 12.697 -3.302 -1.765 127 HD1 HIS 17 HD1 HIS 17 11.080 0.029 -2.797 128 HD2 HIS 17 HD2 HIS 17 11.955 -2.219 0.645 129 HE1 HIS 17 HE1 HIS 17 10.020 1.245 -0.816 130 HE2 HIS 17 HE2 HIS 17 10.484 -0.174 1.232 131 H ALA 18 H ALA 18 14.385 -2.421 -5.014 132 HA ALA 18 HA ALA 18 15.581 -5.004 -4.634 133 HB1 ALA 18 HB1 ALA 18 15.783 -3.024 -6.969 134 HB2 ALA 18 HB2 ALA 18 14.502 -4.261 -6.763 135 HB3 ALA 18 HB3 ALA 18 16.220 -4.736 -7.042 136 H LYS 19 H LYS 19 16.916 -1.629 -4.941 137 HA LYS 19 HA LYS 19 19.695 -2.472 -5.009 138 HB2 LYS 19 HB2 LYS 19 18.369 0.101 -4.035 139 HB3 LYS 19 HB3 LYS 19 20.113 -0.161 -4.262 140 HG2 LYS 19 HG2 LYS 19 19.680 -0.504 -6.684 141 HG3 LYS 19 HG3 LYS 19 17.957 -0.266 -6.406 142 HD2 LYS 19 HD2 LYS 19 18.396 1.989 -5.564 143 HD3 LYS 19 HD3 LYS 19 20.125 1.796 -5.939 144 HE2 LYS 19 HE2 LYS 19 19.541 1.441 -8.349 145 HE3 LYS 19 HE3 LYS 19 17.814 1.651 -7.913 146 HZ1 LYS 19 HZ1 LYS 19 19.998 3.659 -7.666 147 HZ2 LYS 19 HZ2 LYS 19 18.419 3.946 -7.213 148 HZ3 LYS 19 HZ3 LYS 19 18.801 3.690 -8.802 149 H LYS 20 H LYS 20 17.349 -1.720 -2.418 150 HA LYS 20 HA LYS 20 19.235 -1.750 -0.309 151 HB2 LYS 20 HB2 LYS 20 16.334 -2.504 -0.204 152 HB3 LYS 20 HB3 LYS 20 17.337 -2.275 1.199 153 HG2 LYS 20 HG2 LYS 20 17.763 0.019 0.572 154 HG3 LYS 20 HG3 LYS 20 16.631 -0.135 -0.798 155 HD2 LYS 20 HD2 LYS 20 14.835 -0.827 0.721 156 HD3 LYS 20 HD3 LYS 20 15.962 -0.528 2.083 157 HE2 LYS 20 HE2 LYS 20 16.279 1.851 1.262 158 HE3 LYS 20 HE3 LYS 20 15.027 1.492 0.053 159 HZ1 LYS 20 HZ1 LYS 20 13.959 2.515 1.844 160 HZ2 LYS 20 HZ2 LYS 20 14.682 1.571 2.937 161 HZ3 LYS 20 HZ3 LYS 20 13.531 0.940 1.955 162 H ASN 21 H ASN 21 17.594 -4.329 -2.020 163 HA ASN 21 HA ASN 21 18.719 -6.251 -0.067 164 HB2 ASN 21 HB2 ASN 21 16.242 -6.249 -0.841 165 HB3 ASN 21 HB3 ASN 21 16.876 -6.875 -2.399 166 HD21 ASN 21 HD21 ASN 21 16.397 -8.925 -2.512 167 HD22 ASN 21 HD22 ASN 21 16.732 -10.125 -1.288 168 H GLN 22 H GLN 22 20.020 -4.770 -2.588 169 HA GLN 22 HA GLN 22 21.595 -5.323 -4.175 170 HB2 GLN 22 HB2 GLN 22 22.010 -7.692 -2.340 171 HB3 GLN 22 HB3 GLN 22 23.137 -7.183 -3.601 172 HG2 GLN 22 HG2 GLN 22 23.439 -5.000 -2.426 173 HG3 GLN 22 HG3 GLN 22 22.325 -5.602 -1.169 174 HE21 GLN 22 HE21 GLN 22 25.476 -5.065 -1.728 175 HE22 GLN 22 HE22 GLN 22 26.193 -6.301 -0.689 176 H ALA 23 H ALA 23 19.048 -5.863 -5.000 177 HA ALA 23 HA ALA 23 19.365 -8.494 -6.384 178 HB1 ALA 23 HB1 ALA 23 16.807 -7.237 -5.230 179 HB2 ALA 23 HB2 ALA 23 17.552 -8.758 -4.784 180 HB3 ALA 23 HB3 ALA 23 16.817 -8.575 -6.354 181 H HIS 24 H HIS 24 18.717 -8.596 -8.557 182 HA HIS 24 HA HIS 24 18.666 -5.900 -9.848 183 HB2 HIS 24 HB2 HIS 24 19.542 -6.937 -11.780 184 HB3 HIS 24 HB3 HIS 24 20.447 -7.520 -10.387 185 HD1 HIS 24 HD1 HIS 24 18.673 -8.614 -13.431 186 HD2 HIS 24 HD2 HIS 24 19.352 -10.290 -9.623 187 HE1 HIS 24 HE1 HIS 24 18.202 -11.072 -13.605 188 HE2 HIS 24 HE2 HIS 24 18.711 -12.131 -11.345 189 H LYS 25 H LYS 25 16.491 -8.523 -9.247 190 HA LYS 25 HA LYS 25 14.559 -7.366 -11.177 191 HB2 LYS 25 HB2 LYS 25 16.048 -9.011 -12.346 192 HB3 LYS 25 HB3 LYS 25 15.439 -10.294 -11.274 193 HG2 LYS 25 HG2 LYS 25 13.732 -8.668 -13.199 194 HG3 LYS 25 HG3 LYS 25 14.547 -10.184 -13.607 195 HD2 LYS 25 HD2 LYS 25 13.295 -11.371 -11.828 196 HD3 LYS 25 HD3 LYS 25 12.415 -9.845 -11.502 197 HE2 LYS 25 HE2 LYS 25 11.043 -11.199 -12.897 198 HE3 LYS 25 HE3 LYS 25 11.611 -9.835 -13.877 199 HZ1 LYS 25 HZ1 LYS 25 13.408 -11.475 -14.679 200 HZ2 LYS 25 HZ2 LYS 25 11.867 -11.790 -15.177 201 HZ3 LYS 25 HZ3 LYS 25 12.513 -12.675 -13.964 202 H ILE 26 H ILE 26 12.467 -7.538 -10.471 203 HA ILE 26 HA ILE 26 12.152 -8.944 -7.864 204 HB ILE 26 HB ILE 26 10.405 -6.821 -9.157 205 HG12 ILE 26 HG12 ILE 26 12.387 -6.522 -6.863 206 HG13 ILE 26 HG13 ILE 26 12.766 -6.116 -8.517 207 HG21 ILE 26 HG21 ILE 26 9.476 -6.576 -6.800 208 HG22 ILE 26 HG22 ILE 26 9.083 -8.117 -7.574 209 HG23 ILE 26 HG23 ILE 26 10.383 -8.038 -6.367 210 HD11 ILE 26 HD11 ILE 26 10.964 -4.489 -8.485 211 HD12 ILE 26 HD12 ILE 26 10.765 -4.806 -6.750 212 HD13 ILE 26 HD13 ILE 26 12.284 -4.157 -7.373 213 H GLU 27 H GLU 27 10.995 -10.772 -7.781 214 HA GLU 27 HA GLU 27 9.585 -11.759 -10.140 215 HB2 GLU 27 HB2 GLU 27 11.082 -12.769 -7.973 216 HB3 GLU 27 HB3 GLU 27 9.474 -13.479 -7.899 217 HG2 GLU 27 HG2 GLU 27 11.300 -13.427 -10.279 218 HG3 GLU 27 HG3 GLU 27 11.062 -14.805 -9.120 219 H ARG 28 H ARG 28 8.788 -10.573 -6.885 220 HA ARG 28 HA ARG 28 5.888 -10.582 -7.638 221 HB2 ARG 28 HB2 ARG 28 6.499 -12.876 -6.542 222 HB3 ARG 28 HB3 ARG 28 7.024 -11.893 -5.120 223 HG2 ARG 28 HG2 ARG 28 4.731 -10.959 -4.796 224 HG3 ARG 28 HG3 ARG 28 4.143 -12.030 -6.108 225 HD2 ARG 28 HD2 ARG 28 5.600 -12.970 -3.602 226 HD3 ARG 28 HD3 ARG 28 3.856 -13.042 -3.811 227 HE ARG 28 HE ARG 28 5.866 -14.768 -5.089 228 HH11 ARG 28 HH11 ARG 28 2.402 -13.880 -4.839 229 HH12 ARG 28 HH12 ARG 28 1.931 -15.322 -5.703 230 HH21 ARG 28 HH21 ARG 28 5.113 -16.482 -6.321 231 HH22 ARG 28 HH22 ARG 28 3.412 -16.799 -6.449 232 H VAL 29 H VAL 29 4.788 -8.926 -6.635 233 HA VAL 29 HA VAL 29 6.207 -7.479 -4.414 234 HB VAL 29 HB VAL 29 4.497 -6.286 -6.716 235 HG11 VAL 29 HG11 VAL 29 5.852 -4.989 -4.267 236 HG12 VAL 29 HG12 VAL 29 4.045 -5.034 -4.666 237 HG13 VAL 29 HG13 VAL 29 5.137 -4.070 -5.652 238 HG21 VAL 29 HG21 VAL 29 7.417 -5.861 -6.062 239 HG22 VAL 29 HG22 VAL 29 6.523 -5.121 -7.388 240 HG23 VAL 29 HG23 VAL 29 6.790 -6.873 -7.441 241 H VAL 30 H VAL 30 4.866 -7.605 -2.546 242 HA VAL 30 HA VAL 30 1.960 -7.878 -3.152 243 HB VAL 30 HB VAL 30 1.590 -9.047 -1.052 244 HG11 VAL 30 HG11 VAL 30 3.834 -10.619 -2.349 245 HG12 VAL 30 HG12 VAL 30 2.403 -10.247 -3.290 246 HG13 VAL 30 HG13 VAL 30 2.251 -11.143 -1.762 247 HG21 VAL 30 HG21 VAL 30 3.284 -9.884 0.371 248 HG22 VAL 30 HG22 VAL 30 3.533 -8.118 0.217 249 HG23 VAL 30 HG23 VAL 30 4.560 -9.242 -0.696 250 H VAL 31 H VAL 31 0.569 -6.488 -2.190 251 HA VAL 31 HA VAL 31 1.930 -4.342 -0.563 252 HB VAL 31 HB VAL 31 0.478 -2.700 -1.715 253 HG11 VAL 31 HG11 VAL 31 2.756 -3.215 -2.539 254 HG12 VAL 31 HG12 VAL 31 2.009 -4.272 -3.771 255 HG13 VAL 31 HG13 VAL 31 1.664 -2.527 -3.769 256 HG21 VAL 31 HG21 VAL 31 -0.365 -4.957 -3.548 257 HG22 VAL 31 HG22 VAL 31 -1.394 -4.152 -2.346 258 HG23 VAL 31 HG23 VAL 31 -0.820 -3.246 -3.702 259 H GLY 32 H GLY 32 0.538 -3.010 0.729 260 HA2 GLY 32 HA2 GLY 32 -1.962 -4.464 1.522 261 HA3 GLY 32 HA3 GLY 32 -0.988 -3.518 2.638 262 H ILE 33 H ILE 33 -3.799 -3.332 1.111 263 HA ILE 33 HA ILE 33 -3.507 -0.388 0.536 264 HB ILE 33 HB ILE 33 -5.291 -2.352 -0.960 265 HG12 ILE 33 HG12 ILE 33 -3.080 -0.528 -1.978 266 HG13 ILE 33 HG13 ILE 33 -2.865 -2.261 -1.700 267 HG21 ILE 33 HG21 ILE 33 -5.039 0.672 -1.250 268 HG22 ILE 33 HG22 ILE 33 -6.400 -0.213 -0.514 269 HG23 ILE 33 HG23 ILE 33 -6.113 -0.368 -2.250 270 HD11 ILE 33 HD11 ILE 33 -4.774 -2.576 -3.443 271 HD12 ILE 33 HD12 ILE 33 -3.193 -2.022 -4.067 272 HD13 ILE 33 HD13 ILE 33 -4.517 -0.856 -3.811 273 H GLY 34 H GLY 34 -4.919 0.769 1.801 274 HA2 GLY 34 HA2 GLY 34 -6.245 -0.640 3.912 275 HA3 GLY 34 HA3 GLY 34 -6.389 1.124 3.551 276 H GLU 35 H GLU 35 -8.388 -0.919 4.351 277 HA GLU 35 HA GLU 35 -10.133 -1.536 2.160 278 HB2 GLU 35 HB2 GLU 35 -11.704 -2.115 3.884 279 HB3 GLU 35 HB3 GLU 35 -10.100 -2.682 4.331 280 HG2 GLU 35 HG2 GLU 35 -9.858 -0.649 5.806 281 HG3 GLU 35 HG3 GLU 35 -11.504 -0.196 5.350 282 H ARG 36 H ARG 36 -9.577 1.464 3.877 283 HA ARG 36 HA ARG 36 -11.977 2.567 2.477 284 HB2 ARG 36 HB2 ARG 36 -10.649 3.608 5.022 285 HB3 ARG 36 HB3 ARG 36 -11.934 4.405 4.143 286 HG2 ARG 36 HG2 ARG 36 -13.444 2.495 4.537 287 HG3 ARG 36 HG3 ARG 36 -12.173 1.749 5.495 288 HD2 ARG 36 HD2 ARG 36 -12.085 3.654 6.970 289 HD3 ARG 36 HD3 ARG 36 -13.364 4.483 6.079 290 HE ARG 36 HE ARG 36 -13.593 2.166 7.900 291 HH11 ARG 36 HH11 ARG 36 -15.263 4.050 5.386 292 HH12 ARG 36 HH12 ARG 36 -16.853 3.541 5.984 293 HH21 ARG 36 HH21 ARG 36 -15.623 1.536 8.528 294 HH22 ARG 36 HH22 ARG 36 -17.028 2.142 7.675 295 H SER 37 H SER 37 -9.185 2.045 1.515 296 HA SER 37 HA SER 37 -7.885 4.635 1.418 297 HB2 SER 37 HB2 SER 37 -6.504 3.665 -0.311 298 HB3 SER 37 HB3 SER 37 -6.697 2.526 1.023 299 HG SER 37 HG SER 37 -7.962 1.250 -0.207 300 H ALA 38 H ALA 38 -7.661 6.001 -0.383 301 HA ALA 38 HA ALA 38 -10.148 6.570 -1.744 302 HB1 ALA 38 HB1 ALA 38 -8.829 8.349 -2.840 303 HB2 ALA 38 HB2 ALA 38 -7.330 7.561 -2.364 304 HB3 ALA 38 HB3 ALA 38 -8.417 8.295 -1.124 305 H MET 39 H MET 39 -7.454 4.537 -2.390 306 HA MET 39 HA MET 39 -7.586 4.549 -5.210 307 HB2 MET 39 HB2 MET 39 -6.408 2.602 -3.191 308 HB3 MET 39 HB3 MET 39 -6.093 2.607 -4.950 309 HG2 MET 39 HG2 MET 39 -5.030 4.864 -4.770 310 HG3 MET 39 HG3 MET 39 -5.389 4.912 -3.029 311 HE1 MET 39 HE1 MET 39 -2.161 2.245 -4.891 312 HE2 MET 39 HE2 MET 39 -3.889 2.002 -5.308 313 HE3 MET 39 HE3 MET 39 -3.073 3.504 -5.769 314 H ASP 40 H ASP 40 -8.556 3.212 -6.659 315 HA ASP 40 HA ASP 40 -10.462 1.160 -5.630 316 HB2 ASP 40 HB2 ASP 40 -9.829 2.187 -8.458 317 HB3 ASP 40 HB3 ASP 40 -10.884 0.834 -8.117 318 H LYS 41 H LYS 41 -9.973 -0.977 -5.547 319 HA LYS 41 HA LYS 41 -7.311 -1.900 -6.160 320 HB2 LYS 41 HB2 LYS 41 -9.837 -3.374 -5.547 321 HB3 LYS 41 HB3 LYS 41 -8.250 -4.145 -5.754 322 HG2 LYS 41 HG2 LYS 41 -7.373 -2.909 -3.791 323 HG3 LYS 41 HG3 LYS 41 -8.910 -2.031 -3.682 324 HD2 LYS 41 HD2 LYS 41 -8.909 -3.753 -2.039 325 HD3 LYS 41 HD3 LYS 41 -10.103 -4.127 -3.254 326 HE2 LYS 41 HE2 LYS 41 -8.514 -5.736 -4.293 327 HE3 LYS 41 HE3 LYS 41 -7.341 -5.393 -3.030 328 HZ1 LYS 41 HZ1 LYS 41 -10.032 -6.508 -2.631 329 HZ2 LYS 41 HZ2 LYS 41 -8.967 -6.182 -1.424 330 HZ3 LYS 41 HZ3 LYS 41 -8.629 -7.344 -2.550 331 H SER 42 H SER 42 -10.312 -1.923 -7.935 332 HA SER 42 HA SER 42 -9.424 -3.992 -9.762 333 HB2 SER 42 HB2 SER 42 -11.780 -3.437 -9.427 334 HB3 SER 42 HB3 SER 42 -11.564 -1.889 -10.195 335 HG SER 42 HG SER 42 -12.261 -4.050 -11.393 336 H LEU 43 H LEU 43 -9.274 -0.444 -9.784 337 HA LEU 43 HA LEU 43 -8.064 -0.430 -12.435 338 HB2 LEU 43 HB2 LEU 43 -8.067 1.676 -10.252 339 HB3 LEU 43 HB3 LEU 43 -7.491 1.938 -11.883 340 HG LEU 43 HG LEU 43 -10.353 1.232 -11.182 341 HD11 LEU 43 HD11 LEU 43 -9.827 3.520 -10.416 342 HD12 LEU 43 HD12 LEU 43 -10.870 3.644 -11.804 343 HD13 LEU 43 HD13 LEU 43 -9.141 3.952 -11.976 344 HD21 LEU 43 HD21 LEU 43 -10.740 2.033 -13.538 345 HD22 LEU 43 HD22 LEU 43 -9.864 0.482 -13.381 346 HD23 LEU 43 HD23 LEU 43 -8.990 2.002 -13.775 347 H PHE 44 H PHE 44 -6.991 -0.721 -9.125 348 HA PHE 44 HA PHE 44 -4.251 0.027 -9.546 349 HB2 PHE 44 HB2 PHE 44 -5.381 -0.160 -7.342 350 HB3 PHE 44 HB3 PHE 44 -5.429 -1.914 -7.599 351 HD1 PHE 44 HD1 PHE 44 -3.520 -3.287 -7.214 352 HD2 PHE 44 HD2 PHE 44 -3.142 0.905 -7.087 353 HE1 PHE 44 HE1 PHE 44 -1.284 -3.562 -6.169 354 HE2 PHE 44 HE2 PHE 44 -0.836 0.648 -6.167 355 HZ PHE 44 HZ PHE 44 0.065 -1.557 -5.646 356 H VAL 45 H VAL 45 -5.884 -3.212 -9.688 357 HA VAL 45 HA VAL 45 -3.338 -4.470 -10.209 358 HB VAL 45 HB VAL 45 -4.560 -6.532 -10.779 359 HG11 VAL 45 HG11 VAL 45 -4.214 -5.853 -8.399 360 HG12 VAL 45 HG12 VAL 45 -5.595 -6.881 -8.637 361 HG13 VAL 45 HG13 VAL 45 -5.812 -5.147 -8.352 362 HG21 VAL 45 HG21 VAL 45 -7.126 -4.836 -10.501 363 HG22 VAL 45 HG22 VAL 45 -7.035 -6.635 -10.705 364 HG23 VAL 45 HG23 VAL 45 -6.487 -5.503 -12.030 365 H SER 46 H SER 46 -5.649 -2.844 -12.219 366 HA SER 46 HA SER 46 -4.752 -4.021 -14.742 367 HB2 SER 46 HB2 SER 46 -7.006 -3.011 -14.442 368 HB3 SER 46 HB3 SER 46 -6.247 -1.430 -14.169 369 HG SER 46 HG SER 46 -6.621 -2.859 -16.489 370 H ALA 47 H ALA 47 -4.125 -1.105 -12.783 371 HA ALA 47 HA ALA 47 -2.452 0.197 -14.695 372 HB1 ALA 47 HB1 ALA 47 -2.786 0.450 -11.680 373 HB2 ALA 47 HB2 ALA 47 -3.547 1.439 -12.925 374 HB3 ALA 47 HB3 ALA 47 -1.768 1.515 -12.638 375 H PHE 48 H PHE 48 -1.832 -2.220 -12.075 376 HA PHE 48 HA PHE 48 0.993 -1.716 -12.072 377 HB2 PHE 48 HB2 PHE 48 -0.247 -2.999 -10.276 378 HB3 PHE 48 HB3 PHE 48 -0.345 -4.344 -11.411 379 HD1 PHE 48 HD1 PHE 48 1.879 -2.341 -9.242 380 HD2 PHE 48 HD2 PHE 48 1.676 -5.684 -11.968 381 HE1 PHE 48 HE1 PHE 48 4.133 -3.059 -8.530 382 HE2 PHE 48 HE2 PHE 48 3.934 -6.447 -11.255 383 HZ PHE 48 HZ PHE 48 5.193 -5.107 -9.571 384 H GLU 49 H GLU 49 -1.057 -3.887 -13.981 385 HA GLU 49 HA GLU 49 1.168 -5.191 -15.268 386 HB2 GLU 49 HB2 GLU 49 -1.727 -4.815 -16.127 387 HB3 GLU 49 HB3 GLU 49 -0.551 -5.861 -16.960 388 HG2 GLU 49 HG2 GLU 49 -0.289 -7.160 -14.861 389 HG3 GLU 49 HG3 GLU 49 -1.553 -6.154 -14.108 390 H THR 50 H THR 50 -0.660 -2.238 -15.831 391 HA THR 50 HA THR 50 0.393 -1.691 -18.435 392 HB THR 50 HB THR 50 -0.609 0.281 -16.344 393 HG1 THR 50 HG1 THR 50 -2.112 -1.337 -16.816 394 HG21 THR 50 HG21 THR 50 -1.313 1.595 -18.305 395 HG22 THR 50 HG22 THR 50 -0.428 0.516 -19.349 396 HG23 THR 50 HG23 THR 50 0.462 1.468 -18.149 397 H PHE 51 H PHE 51 1.438 -0.631 -15.193 398 HA PHE 51 HA PHE 51 3.690 0.870 -16.344 399 HB2 PHE 51 HB2 PHE 51 2.848 0.454 -13.479 400 HB3 PHE 51 HB3 PHE 51 4.287 1.329 -13.991 401 HD1 PHE 51 HD1 PHE 51 0.642 1.622 -13.702 402 HD2 PHE 51 HD2 PHE 51 4.239 3.394 -15.290 403 HE1 PHE 51 HE1 PHE 51 -0.542 3.724 -14.117 404 HE2 PHE 51 HE2 PHE 51 3.004 5.463 -15.762 405 HZ PHE 51 HZ PHE 51 0.580 5.662 -15.151 406 H ARG 52 H ARG 52 3.390 -2.376 -15.006 407 HA ARG 52 HA ARG 52 6.119 -2.561 -14.124 408 HB2 ARG 52 HB2 ARG 52 5.827 -4.856 -14.013 409 HB3 ARG 52 HB3 ARG 52 4.331 -4.087 -13.472 410 HG2 ARG 52 HG2 ARG 52 3.293 -4.646 -15.699 411 HG3 ARG 52 HG3 ARG 52 4.819 -5.475 -16.135 412 HD2 ARG 52 HD2 ARG 52 4.559 -6.961 -14.171 413 HD3 ARG 52 HD3 ARG 52 3.012 -6.165 -13.791 414 HE ARG 52 HE ARG 52 2.886 -7.074 -16.450 415 HH11 ARG 52 HH11 ARG 52 3.100 -8.514 -13.228 416 HH12 ARG 52 HH12 ARG 52 2.166 -9.873 -13.675 417 HH21 ARG 52 HH21 ARG 52 1.652 -8.844 -16.911 418 HH22 ARG 52 HH22 ARG 52 1.301 -10.054 -15.706 419 H GLU 53 H GLU 53 4.789 -2.575 -17.279 420 HA GLU 53 HA GLU 53 6.975 -3.937 -18.598 421 HB2 GLU 53 HB2 GLU 53 4.989 -1.857 -19.593 422 HB3 GLU 53 HB3 GLU 53 6.043 -2.823 -20.605 423 HG2 GLU 53 HG2 GLU 53 3.814 -3.851 -18.856 424 HG3 GLU 53 HG3 GLU 53 3.731 -3.710 -20.599 425 H GLU 54 H GLU 54 6.519 -0.722 -17.316 426 HA GLU 54 HA GLU 54 8.367 0.669 -18.992 427 HB2 GLU 54 HB2 GLU 54 7.530 1.269 -16.160 428 HB3 GLU 54 HB3 GLU 54 8.315 2.401 -17.274 429 HG2 GLU 54 HG2 GLU 54 5.623 1.123 -17.652 430 HG3 GLU 54 HG3 GLU 54 5.907 2.778 -17.148 431 H SER 55 H SER 55 8.991 -1.533 -16.386 432 HA SER 55 HA SER 55 11.869 -0.840 -16.604 433 HB2 SER 55 HB2 SER 55 11.045 0.301 -14.579 434 HB3 SER 55 HB3 SER 55 10.409 -1.250 -13.980 435 HG SER 55 HG SER 55 12.636 -0.386 -13.346 436 H LEU 56 H LEU 56 13.209 -2.601 -16.755 437 HA LEU 56 HA LEU 56 12.046 -5.174 -17.144 438 HB2 LEU 56 HB2 LEU 56 14.163 -4.358 -18.081 439 HB3 LEU 56 HB3 LEU 56 14.902 -4.456 -16.501 440 HG LEU 56 HG LEU 56 15.629 -6.170 -18.079 441 HD11 LEU 56 HD11 LEU 56 15.618 -6.664 -15.582 442 HD12 LEU 56 HD12 LEU 56 15.620 -8.095 -16.680 443 HD13 LEU 56 HD13 LEU 56 14.117 -7.614 -15.881 444 HD21 LEU 56 HD21 LEU 56 13.509 -6.305 -19.294 445 HD22 LEU 56 HD22 LEU 56 12.807 -7.220 -17.972 446 HD23 LEU 56 HD23 LEU 56 14.138 -7.895 -18.868 447 H VAL 57 H VAL 57 13.435 -3.507 -14.422 448 HA VAL 57 HA VAL 57 13.933 -5.668 -12.719 449 HB VAL 57 HB VAL 57 12.972 -2.846 -12.063 450 HG11 VAL 57 HG11 VAL 57 14.320 -4.956 -10.312 451 HG12 VAL 57 HG12 VAL 57 14.240 -3.229 -9.884 452 HG13 VAL 57 HG13 VAL 57 12.742 -4.155 -10.044 453 HG21 VAL 57 HG21 VAL 57 15.357 -2.314 -11.803 454 HG22 VAL 57 HG22 VAL 57 15.050 -2.875 -13.425 455 HG23 VAL 57 HG23 VAL 57 15.787 -3.994 -12.246 456 H CYS 58 H CYS 58 10.820 -3.986 -13.378 457 HA CYS 58 HA CYS 58 9.571 -5.768 -11.341 458 HB2 CYS 58 HB2 CYS 58 8.605 -3.185 -12.606 459 HB3 CYS 58 HB3 CYS 58 7.690 -4.113 -11.390 460 HG CYS 58 HG CYS 58 9.376 -3.894 -9.522 461 H LYS 59 H LYS 59 10.009 -5.818 -14.630 462 HA LYS 59 HA LYS 59 7.389 -5.865 -15.707 463 HB2 LYS 59 HB2 LYS 59 9.556 -5.548 -16.909 464 HB3 LYS 59 HB3 LYS 59 9.836 -7.313 -16.820 465 HG2 LYS 59 HG2 LYS 59 7.842 -7.701 -18.233 466 HG3 LYS 59 HG3 LYS 59 7.454 -5.968 -18.134 467 HD2 LYS 59 HD2 LYS 59 8.472 -6.288 -20.260 468 HD3 LYS 59 HD3 LYS 59 9.602 -5.380 -19.243 469 HE2 LYS 59 HE2 LYS 59 10.856 -7.017 -20.467 470 HE3 LYS 59 HE3 LYS 59 10.780 -7.562 -18.772 471 HZ1 LYS 59 HZ1 LYS 59 9.138 -8.617 -20.991 472 HZ2 LYS 59 HZ2 LYS 59 8.997 -9.092 -19.426 473 HZ3 LYS 59 HZ3 LYS 59 10.374 -9.392 -20.261 474 H ASP 60 H ASP 60 9.160 -8.708 -14.440 475 HA ASP 60 HA ASP 60 6.773 -10.292 -15.252 476 HB2 ASP 60 HB2 ASP 60 9.429 -11.176 -14.134 477 HB3 ASP 60 HB3 ASP 60 8.094 -12.255 -14.553 478 H ALA 61 H ALA 61 7.279 -8.266 -12.808 479 HA ALA 61 HA ALA 61 7.085 -9.958 -10.487 480 HB1 ALA 61 HB1 ALA 61 6.383 -7.923 -9.296 481 HB2 ALA 61 HB2 ALA 61 6.284 -7.075 -10.840 482 HB3 ALA 61 HB3 ALA 61 7.873 -7.697 -10.257 483 H ILE 62 H ILE 62 5.450 -10.850 -9.401 484 HA ILE 62 HA ILE 62 2.768 -10.766 -10.583 485 HB ILE 62 HB ILE 62 3.835 -12.347 -8.222 486 HG12 ILE 62 HG12 ILE 62 3.279 -13.343 -10.985 487 HG13 ILE 62 HG13 ILE 62 4.876 -12.835 -10.448 488 HG21 ILE 62 HG21 ILE 62 1.403 -12.057 -8.013 489 HG22 ILE 62 HG22 ILE 62 1.742 -13.725 -8.483 490 HG23 ILE 62 HG23 ILE 62 1.139 -12.560 -9.699 491 HD11 ILE 62 HD11 ILE 62 4.791 -15.213 -10.243 492 HD12 ILE 62 HD12 ILE 62 3.286 -15.173 -9.333 493 HD13 ILE 62 HD13 ILE 62 4.769 -14.519 -8.617 494 H LEU 63 H LEU 63 1.169 -9.484 -9.753 495 HA LEU 63 HA LEU 63 1.828 -8.001 -7.262 496 HB2 LEU 63 HB2 LEU 63 1.365 -6.782 -9.310 497 HB3 LEU 63 HB3 LEU 63 -0.228 -7.478 -9.392 498 HG LEU 63 HG LEU 63 -0.159 -5.078 -8.705 499 HD11 LEU 63 HD11 LEU 63 -1.135 -6.495 -6.272 500 HD12 LEU 63 HD12 LEU 63 -1.896 -6.896 -7.840 501 HD13 LEU 63 HD13 LEU 63 -1.914 -5.265 -7.267 502 HD21 LEU 63 HD21 LEU 63 1.037 -6.070 -6.079 503 HD22 LEU 63 HD22 LEU 63 1.978 -5.324 -7.394 504 HD23 LEU 63 HD23 LEU 63 0.702 -4.404 -6.577 505 H ASP 64 H ASP 64 0.694 -8.220 -5.399 506 HA ASP 64 HA ASP 64 -1.895 -9.648 -5.530 507 HB2 ASP 64 HB2 ASP 64 0.051 -11.272 -5.093 508 HB3 ASP 64 HB3 ASP 64 0.301 -10.424 -3.574 509 H ILE 65 H ILE 65 -3.358 -8.451 -4.377 510 HA ILE 65 HA ILE 65 -2.332 -6.366 -2.502 511 HB ILE 65 HB ILE 65 -5.216 -6.880 -3.578 512 HG12 ILE 65 HG12 ILE 65 -3.367 -4.687 -4.426 513 HG13 ILE 65 HG13 ILE 65 -3.503 -6.172 -5.360 514 HG21 ILE 65 HG21 ILE 65 -5.447 -5.674 -1.514 515 HG22 ILE 65 HG22 ILE 65 -5.558 -4.412 -2.753 516 HG23 ILE 65 HG23 ILE 65 -4.012 -4.624 -1.854 517 HD11 ILE 65 HD11 ILE 65 -5.985 -5.655 -5.555 518 HD12 ILE 65 HD12 ILE 65 -4.898 -4.514 -6.331 519 HD13 ILE 65 HD13 ILE 65 -5.628 -4.078 -4.817 520 H VAL 66 H VAL 66 -2.556 -6.447 -0.302 521 HA VAL 66 HA VAL 66 -4.423 -8.506 0.788 522 HB VAL 66 HB VAL 66 -2.058 -7.057 2.089 523 HG11 VAL 66 HG11 VAL 66 -3.909 -9.242 3.129 524 HG12 VAL 66 HG12 VAL 66 -3.850 -7.552 3.734 525 HG13 VAL 66 HG13 VAL 66 -2.442 -8.646 3.935 526 HG21 VAL 66 HG21 VAL 66 -2.397 -9.889 1.077 527 HG22 VAL 66 HG22 VAL 66 -1.109 -9.394 2.176 528 HG23 VAL 66 HG23 VAL 66 -1.218 -8.685 0.538 529 H ASP 67 H ASP 67 -6.290 -7.652 1.716 530 HA ASP 67 HA ASP 67 -6.706 -4.704 1.843 531 HB2 ASP 67 HB2 ASP 67 -8.377 -7.132 2.788 532 HB3 ASP 67 HB3 ASP 67 -8.889 -5.448 2.959 533 H GLU 68 H GLU 68 -6.173 -3.519 3.621 534 HA GLU 68 HA GLU 68 -6.070 -4.971 6.221 535 HB2 GLU 68 HB2 GLU 68 -4.261 -2.692 5.362 536 HB3 GLU 68 HB3 GLU 68 -4.270 -3.486 6.944 537 HG2 GLU 68 HG2 GLU 68 -3.740 -5.620 5.821 538 HG3 GLU 68 HG3 GLU 68 -3.515 -4.727 4.288 539 H LYS 69 H LYS 69 -6.643 -3.930 8.067 540 HA LYS 69 HA LYS 69 -8.745 -1.898 7.854 541 HB2 LYS 69 HB2 LYS 69 -7.359 -3.128 10.254 542 HB3 LYS 69 HB3 LYS 69 -8.491 -1.801 10.378 543 HG2 LYS 69 HG2 LYS 69 -9.739 -3.750 10.856 544 HG3 LYS 69 HG3 LYS 69 -10.311 -3.090 9.376 545 HD2 LYS 69 HD2 LYS 69 -8.942 -4.818 8.128 546 HD3 LYS 69 HD3 LYS 69 -8.424 -5.428 9.726 547 HE2 LYS 69 HE2 LYS 69 -10.195 -6.818 8.840 548 HE3 LYS 69 HE3 LYS 69 -10.721 -5.967 10.314 549 HZ1 LYS 69 HZ1 LYS 69 -11.420 -5.229 7.540 550 HZ2 LYS 69 HZ2 LYS 69 -11.784 -4.286 8.843 551 HZ3 LYS 69 HZ3 LYS 69 -12.441 -5.807 8.702 552 H VAL 70 H VAL 70 -8.667 0.185 8.270 553 HA VAL 70 HA VAL 70 -6.139 1.486 7.853 554 HB VAL 70 HB VAL 70 -7.391 3.551 8.266 555 HG11 VAL 70 HG11 VAL 70 -9.055 1.647 6.638 556 HG12 VAL 70 HG12 VAL 70 -7.558 2.433 6.071 557 HG13 VAL 70 HG13 VAL 70 -8.952 3.392 6.487 558 HG21 VAL 70 HG21 VAL 70 -8.789 2.745 10.136 559 HG22 VAL 70 HG22 VAL 70 -9.789 1.812 8.966 560 HG23 VAL 70 HG23 VAL 70 -9.713 3.609 8.896 561 H GLU 71 H GLU 71 -5.046 2.930 9.350 562 HA GLU 71 HA GLU 71 -5.389 2.174 12.195 563 HB2 GLU 71 HB2 GLU 71 -3.127 1.840 11.357 564 HB3 GLU 71 HB3 GLU 71 -3.052 3.539 10.881 565 HG2 GLU 71 HG2 GLU 71 -3.300 4.150 13.274 566 HG3 GLU 71 HG3 GLU 71 -3.265 2.441 13.697 567 H LEU 72 H LEU 72 -5.987 3.756 13.615 568 HA LEU 72 HA LEU 72 -6.534 6.431 12.415 569 HB2 LEU 72 HB2 LEU 72 -8.085 4.974 14.574 570 HB3 LEU 72 HB3 LEU 72 -8.419 6.599 14.049 571 HG LEU 72 HG LEU 72 -8.805 4.125 12.337 572 HD11 LEU 72 HD11 LEU 72 -11.215 4.556 12.693 573 HD12 LEU 72 HD12 LEU 72 -10.398 4.270 14.205 574 HD13 LEU 72 HD13 LEU 72 -10.791 5.962 13.748 575 HD21 LEU 72 HD21 LEU 72 -9.423 7.062 11.813 576 HD22 LEU 72 HD22 LEU 72 -10.092 5.735 10.847 577 HD23 LEU 72 HD23 LEU 72 -8.340 5.984 10.895 578 H GLU 73 H GLU 73 -6.167 8.171 13.578 579 HA GLU 73 HA GLU 73 -4.837 7.876 16.231 580 HB2 GLU 73 HB2 GLU 73 -3.156 8.365 14.417 581 HB3 GLU 73 HB3 GLU 73 -4.155 9.736 13.926 582 HG2 GLU 73 HG2 GLU 73 -3.736 10.862 16.082 583 HG3 GLU 73 HG3 GLU 73 -2.620 9.593 16.518 584 H CYS 74 H CYS 74 -5.501 9.475 17.629 585 HA CYS 74 HA CYS 74 -7.874 10.970 16.755 586 HB2 CYS 74 HB2 CYS 74 -8.010 9.275 18.670 587 HB3 CYS 74 HB3 CYS 74 -6.817 10.281 19.551 588 H LYS 75 H LYS 75 -7.811 13.186 16.808 589 HA LYS 75 HA LYS 75 -5.290 14.617 17.030 590 HB2 LYS 75 HB2 LYS 75 -8.122 15.677 17.163 591 HB3 LYS 75 HB3 LYS 75 -6.637 16.641 17.146 592 HG2 LYS 75 HG2 LYS 75 -5.997 15.410 14.988 593 HG3 LYS 75 HG3 LYS 75 -7.613 14.730 15.001 594 HD2 LYS 75 HD2 LYS 75 -7.639 16.533 13.486 595 HD3 LYS 75 HD3 LYS 75 -8.480 17.129 14.945 596 HE2 LYS 75 HE2 LYS 75 -6.422 18.199 15.708 597 HE3 LYS 75 HE3 LYS 75 -5.573 17.582 14.282 598 HZ1 LYS 75 HZ1 LYS 75 -6.348 19.857 13.906 599 HZ2 LYS 75 HZ2 LYS 75 -7.901 19.455 14.278 600 HZ3 LYS 75 HZ3 LYS 75 -7.208 18.856 12.920 601 H ASP 76 H ASP 76 -4.733 16.045 18.954 602 HA ASP 76 HA ASP 76 -3.877 14.242 20.679 603 HB2 ASP 76 HB2 ASP 76 -3.340 15.940 22.211 604 HB3 ASP 76 HB3 ASP 76 -3.182 16.514 20.579 605 H CYS 77 H CYS 77 -4.925 12.802 21.223 606 HA CYS 77 HA CYS 77 -5.977 12.513 23.917 607 HB2 CYS 77 HB2 CYS 77 -8.014 12.620 22.557 608 HB3 CYS 77 HB3 CYS 77 -7.236 11.661 21.279 609 H SER 78 H SER 78 -4.291 10.774 24.409 610 HA SER 78 HA SER 78 -2.871 9.836 21.973 611 HB2 SER 78 HB2 SER 78 -1.129 8.963 23.497 612 HB3 SER 78 HB3 SER 78 -1.461 10.701 23.681 613 HG SER 78 HG SER 78 -1.374 9.726 25.696 614 H HIS 79 H HIS 79 -4.029 8.339 20.995 615 HA HIS 79 HA HIS 79 -4.415 5.856 22.463 616 HB2 HIS 79 HB2 HIS 79 -6.456 7.268 22.802 617 HB3 HIS 79 HB3 HIS 79 -6.910 6.823 21.174 618 HD1 HIS 79 HD1 HIS 79 -5.906 5.258 24.557 619 HD2 HIS 79 HD2 HIS 79 -7.931 4.165 21.023 620 HE1 HIS 79 HE1 HIS 79 -7.041 2.979 24.971 621 HE2 HIS 79 HE2 HIS 79 -8.184 2.289 22.823 622 H VAL 80 H VAL 80 -2.758 6.235 19.943 623 HA VAL 80 HA VAL 80 -4.480 5.682 17.715 624 HB VAL 80 HB VAL 80 -1.454 5.367 18.020 625 HG11 VAL 80 HG11 VAL 80 -1.215 5.677 15.658 626 HG12 VAL 80 HG12 VAL 80 -2.968 5.921 15.475 627 HG13 VAL 80 HG13 VAL 80 -2.323 4.346 15.909 628 HG21 VAL 80 HG21 VAL 80 -3.182 7.729 17.393 629 HG22 VAL 80 HG22 VAL 80 -1.468 7.687 16.945 630 HG23 VAL 80 HG23 VAL 80 -1.975 7.548 18.658 631 H PHE 81 H PHE 81 -5.051 4.043 16.622 632 HA PHE 81 HA PHE 81 -4.309 1.295 17.444 633 HB2 PHE 81 HB2 PHE 81 -6.549 0.874 18.341 634 HB3 PHE 81 HB3 PHE 81 -5.909 2.319 19.132 635 HD1 PHE 81 HD1 PHE 81 -8.666 0.942 17.297 636 HD2 PHE 81 HD2 PHE 81 -6.681 4.691 18.134 637 HE1 PHE 81 HE1 PHE 81 -10.729 2.227 16.684 638 HE2 PHE 81 HE2 PHE 81 -8.701 5.941 17.531 639 HZ PHE 81 HZ PHE 81 -10.699 4.730 16.767 640 H LYS 82 H LYS 82 -5.941 -0.353 16.339 641 HA LYS 82 HA LYS 82 -6.833 0.809 13.686 642 HB2 LYS 82 HB2 LYS 82 -6.046 -2.083 14.327 643 HB3 LYS 82 HB3 LYS 82 -6.827 -1.574 12.867 644 HG2 LYS 82 HG2 LYS 82 -4.569 -1.870 12.351 645 HG3 LYS 82 HG3 LYS 82 -4.774 -0.119 12.280 646 HD2 LYS 82 HD2 LYS 82 -3.701 0.046 14.594 647 HD3 LYS 82 HD3 LYS 82 -3.512 -1.729 14.575 648 HE2 LYS 82 HE2 LYS 82 -2.071 -1.582 12.533 649 HE3 LYS 82 HE3 LYS 82 -2.237 0.163 12.516 650 HZ1 LYS 82 HZ1 LYS 82 -0.919 -1.442 14.649 651 HZ2 LYS 82 HZ2 LYS 82 -1.178 0.195 14.741 652 HZ3 LYS 82 HZ3 LYS 82 -0.168 -0.427 13.571 653 HA PRO 83 HA PRO 83 -10.717 -0.309 15.730 654 HB2 PRO 83 HB2 PRO 83 -12.468 0.374 13.725 655 HB3 PRO 83 HB3 PRO 83 -11.652 1.624 14.716 656 HG2 PRO 83 HG2 PRO 83 -10.876 0.514 11.999 657 HG3 PRO 83 HG3 PRO 83 -11.055 2.193 12.495 658 HD2 PRO 83 HD2 PRO 83 -8.649 1.000 12.434 659 HD3 PRO 83 HD3 PRO 83 -9.027 2.169 13.704 660 H ASN 84 H ASN 84 -12.046 -2.125 15.709 661 HA ASN 84 HA ASN 84 -11.748 -4.017 13.396 662 HB2 ASN 84 HB2 ASN 84 -11.941 -4.588 16.366 663 HB3 ASN 84 HB3 ASN 84 -11.945 -5.802 15.040 664 HD21 ASN 84 HD21 ASN 84 -10.057 -4.697 17.329 665 HD22 ASN 84 HD22 ASN 84 -8.504 -4.763 16.518 666 H ALA 85 H ALA 85 -13.837 -1.851 14.421 667 HA ALA 85 HA ALA 85 -16.265 -3.516 14.038 668 HB1 ALA 85 HB1 ALA 85 -17.304 -2.749 16.095 669 HB2 ALA 85 HB2 ALA 85 -16.044 -1.563 16.393 670 HB3 ALA 85 HB3 ALA 85 -15.688 -3.280 16.586 671 H LEU 86 H LEU 86 -18.137 -1.868 14.101 672 HA LEU 86 HA LEU 86 -17.798 -0.066 11.966 673 HB2 LEU 86 HB2 LEU 86 -20.081 -0.435 13.806 674 HB3 LEU 86 HB3 LEU 86 -20.133 0.437 12.246 675 HG LEU 86 HG LEU 86 -19.522 -2.503 12.543 676 HD11 LEU 86 HD11 LEU 86 -21.793 -2.916 11.717 677 HD12 LEU 86 HD12 LEU 86 -22.123 -1.174 11.692 678 HD13 LEU 86 HD13 LEU 86 -21.806 -1.963 13.214 679 HD21 LEU 86 HD21 LEU 86 -19.929 -2.539 10.058 680 HD22 LEU 86 HD22 LEU 86 -18.566 -1.512 10.446 681 HD23 LEU 86 HD23 LEU 86 -20.133 -0.833 10.037 682 H ASP 87 H ASP 87 -16.652 0.481 14.860 683 HA ASP 87 HA ASP 87 -17.662 3.140 15.463 684 HB2 ASP 87 HB2 ASP 87 -16.175 3.116 17.314 685 HB3 ASP 87 HB3 ASP 87 -16.991 1.528 17.231 686 H TYR 88 H TYR 88 -16.222 2.524 12.828 687 HA TYR 88 HA TYR 88 -13.763 3.950 12.776 688 HB2 TYR 88 HB2 TYR 88 -15.969 3.703 10.661 689 HB3 TYR 88 HB3 TYR 88 -14.334 4.315 10.325 690 HD1 TYR 88 HD1 TYR 88 -16.409 1.332 10.965 691 HD2 TYR 88 HD2 TYR 88 -12.413 2.795 10.237 692 HE1 TYR 88 HE1 TYR 88 -15.630 -1.001 10.421 693 HE2 TYR 88 HE2 TYR 88 -11.703 0.461 9.645 694 HH TYR 88 HH TYR 88 -12.391 -1.640 9.192 695 H GLY 89 H GLY 89 -13.273 6.126 12.378 696 HA2 GLY 89 HA2 GLY 89 -13.721 8.343 11.827 697 HA3 GLY 89 HA3 GLY 89 -15.465 8.057 11.928 698 H VAL 90 H VAL 90 -14.389 6.770 14.734 699 HA VAL 90 HA VAL 90 -14.155 9.346 16.179 700 HB VAL 90 HB VAL 90 -15.575 8.496 17.990 701 HG11 VAL 90 HG11 VAL 90 -16.901 8.702 15.253 702 HG12 VAL 90 HG12 VAL 90 -17.774 8.764 16.831 703 HG13 VAL 90 HG13 VAL 90 -16.592 10.032 16.421 704 HG21 VAL 90 HG21 VAL 90 -17.013 6.583 17.717 705 HG22 VAL 90 HG22 VAL 90 -15.348 6.049 17.490 706 HG23 VAL 90 HG23 VAL 90 -16.388 6.279 16.077 707 H CYS 91 H CYS 91 -13.123 8.963 18.308 708 HA CYS 91 HA CYS 91 -11.052 6.887 18.314 709 HB2 CYS 91 HB2 CYS 91 -10.646 9.204 19.087 710 HB3 CYS 91 HB3 CYS 91 -11.872 8.913 20.365 711 H GLU 92 H GLU 92 -10.884 5.463 20.389 712 HA GLU 92 HA GLU 92 -13.628 4.677 21.207 713 HB2 GLU 92 HB2 GLU 92 -12.799 2.510 21.817 714 HB3 GLU 92 HB3 GLU 92 -12.246 2.884 20.183 715 HG2 GLU 92 HG2 GLU 92 -10.044 3.454 21.072 716 HG3 GLU 92 HG3 GLU 92 -10.611 3.091 22.700 717 H LYS 93 H LYS 93 -10.695 6.107 22.302 718 HA LYS 93 HA LYS 93 -10.888 5.556 25.114 719 HB2 LYS 93 HB2 LYS 93 -8.850 6.184 23.879 720 HB3 LYS 93 HB3 LYS 93 -9.530 7.820 23.662 721 HG2 LYS 93 HG2 LYS 93 -7.906 7.848 25.414 722 HG3 LYS 93 HG3 LYS 93 -9.541 8.071 26.141 723 HD2 LYS 93 HD2 LYS 93 -9.626 5.737 26.763 724 HD3 LYS 93 HD3 LYS 93 -7.998 5.504 26.044 725 HE2 LYS 93 HE2 LYS 93 -7.109 7.168 27.602 726 HE3 LYS 93 HE3 LYS 93 -8.715 7.348 28.361 727 HZ1 LYS 93 HZ1 LYS 93 -7.364 4.770 28.194 728 HZ2 LYS 93 HZ2 LYS 93 -8.651 5.145 29.144 729 HZ3 LYS 93 HZ3 LYS 93 -7.149 5.765 29.468 730 H CYS 94 H CYS 94 -12.000 7.882 22.928 731 HA CYS 94 HA CYS 94 -13.897 9.150 24.813 732 HB2 CYS 94 HB2 CYS 94 -13.355 11.339 23.910 733 HB3 CYS 94 HB3 CYS 94 -11.869 10.667 24.648 734 H HIS 95 H HIS 95 -15.560 10.045 22.993 735 HA HIS 95 HA HIS 95 -15.220 8.338 20.536 736 HB2 HIS 95 HB2 HIS 95 -17.821 9.018 21.906 737 HB3 HIS 95 HB3 HIS 95 -17.618 8.078 20.450 738 HD1 HIS 95 HD1 HIS 95 -17.406 7.796 24.200 739 HD2 HIS 95 HD2 HIS 95 -16.388 5.543 20.802 740 HE1 HIS 95 HE1 HIS 95 -16.928 5.435 24.978 741 HE2 HIS 95 HE2 HIS 95 -16.331 4.055 22.891 742 H SER 96 H SER 96 -14.188 10.830 21.114 743 HA SER 96 HA SER 96 -15.918 12.855 19.987 744 HB2 SER 96 HB2 SER 96 -14.127 13.411 21.564 745 HB3 SER 96 HB3 SER 96 -12.916 12.819 20.381 746 HG SER 96 HG SER 96 -13.542 14.545 19.000 747 H LYS 97 H LYS 97 -15.936 13.705 17.904 748 HA LYS 97 HA LYS 97 -14.818 12.043 15.720 749 HB2 LYS 97 HB2 LYS 97 -16.181 14.785 15.741 750 HB3 LYS 97 HB3 LYS 97 -15.728 13.842 14.300 751 HG2 LYS 97 HG2 LYS 97 -17.234 12.057 15.089 752 HG3 LYS 97 HG3 LYS 97 -17.715 13.081 16.441 753 HD2 LYS 97 HD2 LYS 97 -19.399 13.287 14.743 754 HD3 LYS 97 HD3 LYS 97 -18.442 14.812 14.733 755 HE2 LYS 97 HE2 LYS 97 -17.193 14.002 12.730 756 HE3 LYS 97 HE3 LYS 97 -18.202 12.506 12.735 757 HZ1 LYS 97 HZ1 LYS 97 -19.010 14.203 11.237 758 HZ2 LYS 97 HZ2 LYS 97 -19.330 15.208 12.451 759 HZ3 LYS 97 HZ3 LYS 97 -20.127 13.773 12.328 760 H ASN 98 H ASN 98 -13.422 13.172 14.161 761 HA ASN 98 HA ASN 98 -11.620 14.410 13.507 762 HB2 ASN 98 HB2 ASN 98 -11.296 15.498 16.335 763 HB3 ASN 98 HB3 ASN 98 -10.264 15.890 14.950 764 HD21 ASN 98 HD21 ASN 98 -11.844 16.391 12.943 765 HD22 ASN 98 HD22 ASN 98 -12.983 17.672 13.328 766 H VAL 99 H VAL 99 -11.507 12.015 13.591 767 HA VAL 99 HA VAL 99 -8.845 11.501 14.793 768 HB VAL 99 HB VAL 99 -9.312 9.066 14.514 769 HG11 VAL 99 HG11 VAL 99 -9.790 10.207 16.687 770 HG12 VAL 99 HG12 VAL 99 -11.463 10.342 16.149 771 HG13 VAL 99 HG13 VAL 99 -10.763 8.740 16.376 772 HG21 VAL 99 HG21 VAL 99 -11.584 8.258 14.105 773 HG22 VAL 99 HG22 VAL 99 -10.917 9.132 12.706 774 HG23 VAL 99 HG23 VAL 99 -12.082 9.937 13.763 775 H ILE 100 H ILE 100 -7.430 10.532 13.186 776 HA ILE 100 HA ILE 100 -8.348 10.972 10.420 777 HB ILE 100 HB ILE 100 -6.186 11.884 9.741 778 HG12 ILE 100 HG12 ILE 100 -4.787 10.843 11.589 779 HG13 ILE 100 HG13 ILE 100 -4.465 12.527 11.301 780 HG21 ILE 100 HG21 ILE 100 -8.007 13.509 10.326 781 HG22 ILE 100 HG22 ILE 100 -6.415 14.179 10.813 782 HG23 ILE 100 HG23 ILE 100 -7.498 13.492 12.005 783 HD11 ILE 100 HD11 ILE 100 -4.357 12.015 13.668 784 HD12 ILE 100 HD12 ILE 100 -5.450 13.279 13.289 785 HD13 ILE 100 HD13 ILE 100 -6.089 11.706 13.626 786 H ILE 101 H ILE 101 -7.028 9.838 8.794 787 HA ILE 101 HA ILE 101 -6.374 7.127 9.832 788 HB ILE 101 HB ILE 101 -6.719 8.228 6.981 789 HG12 ILE 101 HG12 ILE 101 -8.539 6.370 8.539 790 HG13 ILE 101 HG13 ILE 101 -8.806 8.102 8.352 791 HG21 ILE 101 HG21 ILE 101 -5.190 6.297 6.946 792 HG22 ILE 101 HG22 ILE 101 -6.297 5.382 7.950 793 HG23 ILE 101 HG23 ILE 101 -6.762 5.777 6.294 794 HD11 ILE 101 HD11 ILE 101 -9.035 5.943 6.231 795 HD12 ILE 101 HD12 ILE 101 -8.887 7.653 5.816 796 HD13 ILE 101 HD13 ILE 101 -10.282 7.111 6.774 797 H THR 102 H THR 102 -4.387 6.435 10.067 798 HA THR 102 HA THR 102 -2.256 8.206 9.009 799 HB THR 102 HB THR 102 -0.810 7.227 10.725 800 HG1 THR 102 HG1 THR 102 -1.765 5.769 12.176 801 HG21 THR 102 HG21 THR 102 -3.418 8.105 12.012 802 HG22 THR 102 HG22 THR 102 -1.754 8.330 12.625 803 HG23 THR 102 HG23 THR 102 -2.320 9.245 11.185 804 H GLN 103 H GLN 103 -3.665 5.148 8.717 805 HA GLN 103 HA GLN 103 -1.623 4.278 6.793 806 HB2 GLN 103 HB2 GLN 103 -1.032 3.225 8.996 807 HB3 GLN 103 HB3 GLN 103 -2.662 2.520 9.024 808 HG2 GLN 103 HG2 GLN 103 -1.113 0.848 8.385 809 HG3 GLN 103 HG3 GLN 103 -2.198 1.226 7.039 810 HE21 GLN 103 HE21 GLN 103 -1.143 0.887 5.215 811 HE22 GLN 103 HE22 GLN 103 0.446 1.516 4.855 812 H GLY 104 H GLY 104 -2.607 3.176 5.072 813 HA2 GLY 104 HA2 GLY 104 -4.330 1.933 4.115 814 HA3 GLY 104 HA3 GLY 104 -5.350 2.182 5.481 815 H ASN 105 H ASN 105 -4.044 5.203 4.387 816 HA ASN 105 HA ASN 105 -6.729 5.764 3.195 817 HB2 ASN 105 HB2 ASN 105 -6.103 8.029 2.944 818 HB3 ASN 105 HB3 ASN 105 -5.594 7.524 4.574 819 HD21 ASN 105 HD21 ASN 105 -4.715 9.417 2.148 820 HD22 ASN 105 HD22 ASN 105 -2.962 9.327 2.263 821 H GLU 106 H GLU 106 -3.612 4.703 2.341 822 HA GLU 106 HA GLU 106 -4.398 4.632 -0.492 823 HB2 GLU 106 HB2 GLU 106 -1.726 5.847 0.385 824 HB3 GLU 106 HB3 GLU 106 -2.173 5.383 -1.287 825 HG2 GLU 106 HG2 GLU 106 -4.035 7.036 -1.161 826 HG3 GLU 106 HG3 GLU 106 -3.436 7.545 0.428 827 H MET 107 H MET 107 -1.108 3.952 -0.265 828 HA MET 107 HA MET 107 -1.583 1.019 0.173 829 HB2 MET 107 HB2 MET 107 -1.625 1.791 -2.262 830 HB3 MET 107 HB3 MET 107 -0.057 2.526 -1.961 831 HG2 MET 107 HG2 MET 107 0.906 0.302 -1.546 832 HG3 MET 107 HG3 MET 107 -0.707 -0.413 -1.855 833 HE1 MET 107 HE1 MET 107 2.205 1.613 -4.786 834 HE2 MET 107 HE2 MET 107 2.559 1.069 -3.115 835 HE3 MET 107 HE3 MET 107 1.530 2.514 -3.362 836 H ARG 108 H ARG 108 0.264 -0.167 0.842 837 HA ARG 108 HA ARG 108 2.894 1.211 1.085 838 HB2 ARG 108 HB2 ARG 108 1.780 1.453 3.353 839 HB3 ARG 108 HB3 ARG 108 1.653 -0.306 3.413 840 HG2 ARG 108 HG2 ARG 108 4.117 -0.521 3.304 841 HG3 ARG 108 HG3 ARG 108 4.260 1.260 3.260 842 HD2 ARG 108 HD2 ARG 108 3.078 -0.409 5.535 843 HD3 ARG 108 HD3 ARG 108 4.718 0.327 5.522 844 HE ARG 108 HE ARG 108 2.203 1.668 6.070 845 HH11 ARG 108 HH11 ARG 108 2.277 3.677 6.930 846 HH12 ARG 108 HH12 ARG 108 3.758 4.604 6.915 847 HH21 ARG 108 HH21 ARG 108 5.591 2.202 5.170 848 HH22 ARG 108 HH22 ARG 108 5.587 3.797 5.896 849 H LEU 109 H LEU 109 4.608 -0.228 0.693 850 HA LEU 109 HA LEU 109 4.006 -2.828 -0.489 851 HB2 LEU 109 HB2 LEU 109 6.541 -1.452 0.489 852 HB3 LEU 109 HB3 LEU 109 6.582 -3.035 -0.281 853 HG LEU 109 HG LEU 109 5.550 -0.599 -1.747 854 HD11 LEU 109 HD11 LEU 109 8.296 -1.903 -1.692 855 HD12 LEU 109 HD12 LEU 109 7.897 -0.202 -1.264 856 HD13 LEU 109 HD13 LEU 109 7.736 -0.736 -2.955 857 HD21 LEU 109 HD21 LEU 109 4.740 -2.697 -2.643 858 HD22 LEU 109 HD22 LEU 109 6.352 -3.414 -2.570 859 HD23 LEU 109 HD23 LEU 109 5.994 -2.096 -3.711 860 H LEU 110 H LEU 110 3.997 -4.866 0.509 861 HA LEU 110 HA LEU 110 4.695 -4.787 3.411 862 HB2 LEU 110 HB2 LEU 110 3.166 -6.885 1.838 863 HB3 LEU 110 HB3 LEU 110 3.496 -6.925 3.581 864 HG LEU 110 HG LEU 110 1.852 -4.850 2.144 865 HD11 LEU 110 HD11 LEU 110 1.060 -7.312 3.736 866 HD12 LEU 110 HD12 LEU 110 0.690 -6.920 2.049 867 HD13 LEU 110 HD13 LEU 110 -0.111 -6.020 3.373 868 HD21 LEU 110 HD21 LEU 110 1.095 -4.138 4.353 869 HD22 LEU 110 HD22 LEU 110 2.201 -5.286 5.105 870 HD23 LEU 110 HD23 LEU 110 2.841 -3.885 4.170 871 H SER 111 H SER 111 5.320 -6.709 0.466 872 HA SER 111 HA SER 111 7.959 -7.431 1.504 873 HB2 SER 111 HB2 SER 111 6.588 -9.133 2.524 874 HB3 SER 111 HB3 SER 111 5.882 -9.531 0.940 875 HG SER 111 HG SER 111 7.638 -10.598 0.421 876 H LEU 112 H LEU 112 9.308 -8.214 -0.212 877 HA LEU 112 HA LEU 112 8.006 -8.294 -2.879 878 HB2 LEU 112 HB2 LEU 112 10.661 -7.008 -2.260 879 HB3 LEU 112 HB3 LEU 112 10.045 -7.332 -3.859 880 HG LEU 112 HG LEU 112 8.225 -5.658 -3.468 881 HD11 LEU 112 HD11 LEU 112 8.029 -5.409 -1.102 882 HD12 LEU 112 HD12 LEU 112 8.685 -3.899 -1.680 883 HD13 LEU 112 HD13 LEU 112 9.780 -5.068 -0.920 884 HD21 LEU 112 HD21 LEU 112 10.236 -5.192 -4.690 885 HD22 LEU 112 HD22 LEU 112 11.120 -4.812 -3.209 886 HD23 LEU 112 HD23 LEU 112 9.814 -3.746 -3.772 887 H GLU 113 H GLU 113 8.761 -10.049 -4.146 888 HA GLU 113 HA GLU 113 10.822 -11.830 -2.885 889 HB2 GLU 113 HB2 GLU 113 8.585 -12.846 -3.516 890 HB3 GLU 113 HB3 GLU 113 8.939 -12.402 -5.184 891 HG2 GLU 113 HG2 GLU 113 10.905 -13.803 -5.165 892 HG3 GLU 113 HG3 GLU 113 10.444 -14.285 -3.538 893 H MET 114 H MET 114 12.868 -11.558 -3.713 894 HA MET 114 HA MET 114 13.006 -10.398 -6.462 895 HB2 MET 114 HB2 MET 114 14.501 -9.500 -4.013 896 HB3 MET 114 HB3 MET 114 14.759 -8.898 -5.655 897 HG2 MET 114 HG2 MET 114 12.443 -8.155 -5.737 898 HG3 MET 114 HG3 MET 114 12.212 -8.606 -4.060 899 HE1 MET 114 HE1 MET 114 12.896 -7.055 -2.016 900 HE2 MET 114 HE2 MET 114 14.301 -5.996 -2.186 901 HE3 MET 114 HE3 MET 114 14.468 -7.750 -2.470 902 H LEU 115 H LEU 115 14.784 -10.801 -7.666 903 HA LEU 115 HA LEU 115 16.290 -13.242 -6.852 904 HB2 LEU 115 HB2 LEU 115 16.091 -11.744 -9.496 905 HB3 LEU 115 HB3 LEU 115 16.992 -13.229 -9.236 906 HG LEU 115 HG LEU 115 14.012 -12.988 -9.038 907 HD11 LEU 115 HD11 LEU 115 13.954 -14.108 -11.165 908 HD12 LEU 115 HD12 LEU 115 14.949 -12.693 -11.253 909 HD13 LEU 115 HD13 LEU 115 15.756 -14.280 -11.174 910 HD21 LEU 115 HD21 LEU 115 14.711 -14.802 -7.606 911 HD22 LEU 115 HD22 LEU 115 15.742 -15.475 -8.904 912 HD23 LEU 115 HD23 LEU 115 13.966 -15.417 -9.074 913 H ALA 116 H ALA 116 18.369 -13.170 -6.254 914 HA ALA 116 HA ALA 116 19.559 -10.672 -5.687 915 HB1 ALA 116 HB1 ALA 116 21.441 -11.969 -4.950 916 HB2 ALA 116 HB2 ALA 116 20.899 -13.366 -5.912 917 HB3 ALA 116 HB3 ALA 116 19.969 -12.848 -4.485 918 H GLU 117 H GLU 117 21.431 -9.720 -6.471 919 HA GLU 117 HA GLU 117 21.606 -9.465 -9.325 920 HB2 GLU 117 HB2 GLU 117 23.329 -7.898 -8.872 921 HB3 GLU 117 HB3 GLU 117 22.072 -7.722 -7.643 922 HG2 GLU 117 HG2 GLU 117 23.475 -9.065 -6.063 923 HG3 GLU 117 HG3 GLU 117 24.754 -9.104 -7.279 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -1.985 8.242 -4.281 2 H2 MET 1 H2 MET 1 -1.890 9.209 -2.953 3 H3 MET 1 H3 MET 1 -1.853 9.906 -4.455 4 HA MET 1 HA MET 1 -4.125 8.559 -3.087 5 HB2 MET 1 HB2 MET 1 -3.609 10.945 -2.583 6 HB3 MET 1 HB3 MET 1 -3.857 11.341 -4.292 7 HG2 MET 1 HG2 MET 1 -5.862 11.879 -3.048 8 HG3 MET 1 HG3 MET 1 -6.210 10.551 -4.143 9 HE1 MET 1 HE1 MET 1 -5.850 10.216 0.517 10 HE2 MET 1 HE2 MET 1 -5.664 11.747 -0.410 11 HE3 MET 1 HE3 MET 1 -4.402 10.493 -0.459 12 H HIS 2 H HIS 2 -2.929 9.859 -6.232 13 HA HIS 2 HA HIS 2 -5.424 9.154 -7.595 14 HB2 HIS 2 HB2 HIS 2 -2.650 9.823 -8.691 15 HB3 HIS 2 HB3 HIS 2 -4.159 9.713 -9.612 16 HD1 HIS 2 HD1 HIS 2 -2.539 12.352 -9.621 17 HD2 HIS 2 HD2 HIS 2 -5.545 11.524 -6.815 18 HE1 HIS 2 HE1 HIS 2 -3.235 14.534 -8.587 19 HE2 HIS 2 HE2 HIS 2 -5.162 14.041 -7.036 20 H GLU 3 H GLU 3 -5.700 7.201 -9.016 21 HA GLU 3 HA GLU 3 -4.470 4.942 -7.803 22 HB2 GLU 3 HB2 GLU 3 -5.778 4.988 -10.536 23 HB3 GLU 3 HB3 GLU 3 -5.544 3.568 -9.502 24 HG2 GLU 3 HG2 GLU 3 -7.386 5.911 -8.906 25 HG3 GLU 3 HG3 GLU 3 -7.892 4.330 -9.420 26 H TYR 4 H TYR 4 -3.765 6.466 -10.952 27 HA TYR 4 HA TYR 4 -1.769 4.453 -11.635 28 HB2 TYR 4 HB2 TYR 4 -2.599 7.130 -12.784 29 HB3 TYR 4 HB3 TYR 4 -1.301 6.170 -13.453 30 HD1 TYR 4 HD1 TYR 4 -4.976 6.064 -12.684 31 HD2 TYR 4 HD2 TYR 4 -1.750 4.234 -14.877 32 HE1 TYR 4 HE1 TYR 4 -6.585 4.576 -13.916 33 HE2 TYR 4 HE2 TYR 4 -3.354 2.812 -16.069 34 HH TYR 4 HH TYR 4 -5.434 2.241 -16.375 35 H SER 5 H SER 5 -1.729 7.540 -9.934 36 HA SER 5 HA SER 5 1.142 7.878 -10.209 37 HB2 SER 5 HB2 SER 5 -0.322 9.741 -9.742 38 HB3 SER 5 HB3 SER 5 -0.723 9.072 -8.129 39 HG SER 5 HG SER 5 0.988 10.711 -8.385 40 H VAL 6 H VAL 6 -1.023 6.241 -7.845 41 HA VAL 6 HA VAL 6 1.039 5.834 -5.918 42 HB VAL 6 HB VAL 6 -1.537 4.255 -6.394 43 HG11 VAL 6 HG11 VAL 6 -1.132 3.482 -4.060 44 HG12 VAL 6 HG12 VAL 6 0.441 4.278 -4.087 45 HG13 VAL 6 HG13 VAL 6 0.078 2.914 -5.159 46 HG21 VAL 6 HG21 VAL 6 -1.549 6.805 -5.642 47 HG22 VAL 6 HG22 VAL 6 -2.600 5.644 -4.850 48 HG23 VAL 6 HG23 VAL 6 -1.100 6.146 -4.077 49 H VAL 7 H VAL 7 -0.190 3.959 -8.756 50 HA VAL 7 HA VAL 7 1.617 1.760 -8.311 51 HB VAL 7 HB VAL 7 0.211 2.651 -10.859 52 HG11 VAL 7 HG11 VAL 7 1.587 0.010 -10.166 53 HG12 VAL 7 HG12 VAL 7 2.205 1.212 -11.296 54 HG13 VAL 7 HG13 VAL 7 0.708 0.415 -11.652 55 HG21 VAL 7 HG21 VAL 7 -1.303 1.985 -8.961 56 HG22 VAL 7 HG22 VAL 7 -0.420 0.460 -8.834 57 HG23 VAL 7 HG23 VAL 7 -1.335 0.820 -10.282 58 H SER 8 H SER 8 1.892 4.806 -10.254 59 HA SER 8 HA SER 8 4.406 4.087 -11.397 60 HB2 SER 8 HB2 SER 8 3.044 6.015 -12.177 61 HB3 SER 8 HB3 SER 8 3.294 6.838 -10.665 62 HG SER 8 HG SER 8 4.806 7.609 -12.108 63 H SER 9 H SER 9 3.512 5.541 -8.229 64 HA SER 9 HA SER 9 6.301 5.956 -7.407 65 HB2 SER 9 HB2 SER 9 4.393 7.165 -6.375 66 HB3 SER 9 HB3 SER 9 3.749 5.620 -5.739 67 HG SER 9 HG SER 9 5.171 5.651 -4.180 68 H LEU 10 H LEU 10 3.943 3.240 -7.196 69 HA LEU 10 HA LEU 10 5.435 1.594 -5.381 70 HB2 LEU 10 HB2 LEU 10 3.074 1.164 -6.101 71 HB3 LEU 10 HB3 LEU 10 3.672 0.783 -7.716 72 HG LEU 10 HG LEU 10 4.894 -1.144 -6.898 73 HD11 LEU 10 HD11 LEU 10 3.629 -0.530 -4.215 74 HD12 LEU 10 HD12 LEU 10 5.398 -0.473 -4.582 75 HD13 LEU 10 HD13 LEU 10 4.496 -2.018 -4.627 76 HD21 LEU 10 HD21 LEU 10 2.007 -1.079 -5.888 77 HD22 LEU 10 HD22 LEU 10 2.862 -2.512 -6.507 78 HD23 LEU 10 HD23 LEU 10 2.435 -1.166 -7.606 79 H ILE 11 H ILE 11 5.565 1.891 -8.971 80 HA ILE 11 HA ILE 11 7.413 -0.276 -9.240 81 HB ILE 11 HB ILE 11 7.065 2.154 -11.046 82 HG12 ILE 11 HG12 ILE 11 4.998 0.870 -10.865 83 HG13 ILE 11 HG13 ILE 11 5.724 0.704 -12.429 84 HG21 ILE 11 HG21 ILE 11 8.133 0.658 -12.812 85 HG22 ILE 11 HG22 ILE 11 8.538 -0.488 -11.538 86 HG23 ILE 11 HG23 ILE 11 9.267 1.116 -11.501 87 HD11 ILE 11 HD11 ILE 11 4.722 -1.403 -11.675 88 HD12 ILE 11 HD12 ILE 11 5.849 -1.350 -10.241 89 HD13 ILE 11 HD13 ILE 11 6.497 -1.520 -11.905 90 H ALA 12 H ALA 12 7.863 3.201 -8.717 91 HA ALA 12 HA ALA 12 10.739 3.096 -8.967 92 HB1 ALA 12 HB1 ALA 12 10.601 5.341 -7.863 93 HB2 ALA 12 HB2 ALA 12 8.881 5.109 -7.628 94 HB3 ALA 12 HB3 ALA 12 9.526 5.159 -9.300 95 H LEU 13 H LEU 13 8.453 2.755 -6.235 96 HA LEU 13 HA LEU 13 10.384 2.840 -4.177 97 HB2 LEU 13 HB2 LEU 13 7.914 3.055 -3.948 98 HB3 LEU 13 HB3 LEU 13 7.770 1.362 -4.219 99 HG LEU 13 HG LEU 13 9.016 0.952 -2.097 100 HD11 LEU 13 HD11 LEU 13 9.282 2.931 -0.524 101 HD12 LEU 13 HD12 LEU 13 9.012 3.973 -1.932 102 HD13 LEU 13 HD13 LEU 13 10.398 2.905 -1.885 103 HD21 LEU 13 HD21 LEU 13 7.211 1.654 -0.624 104 HD22 LEU 13 HD22 LEU 13 6.550 1.074 -2.171 105 HD23 LEU 13 HD23 LEU 13 6.635 2.807 -1.857 106 H CYS 14 H CYS 14 9.007 0.335 -6.196 107 HA CYS 14 HA CYS 14 10.351 -1.874 -4.933 108 HB2 CYS 14 HB2 CYS 14 9.293 -1.485 -7.761 109 HB3 CYS 14 HB3 CYS 14 9.872 -3.033 -7.109 110 HG CYS 14 HG CYS 14 7.233 -1.257 -6.424 111 H GLU 15 H GLU 15 11.269 0.357 -7.601 112 HA GLU 15 HA GLU 15 13.676 -1.073 -8.175 113 HB2 GLU 15 HB2 GLU 15 13.014 1.853 -8.531 114 HB3 GLU 15 HB3 GLU 15 14.482 1.105 -9.142 115 HG2 GLU 15 HG2 GLU 15 13.161 -0.399 -10.594 116 HG3 GLU 15 HG3 GLU 15 11.700 0.334 -9.989 117 H GLU 16 H GLU 16 13.031 1.538 -5.743 118 HA GLU 16 HA GLU 16 15.863 1.618 -5.220 119 HB2 GLU 16 HB2 GLU 16 15.465 3.036 -3.335 120 HB3 GLU 16 HB3 GLU 16 14.374 3.545 -4.627 121 HG2 GLU 16 HG2 GLU 16 12.508 2.362 -3.525 122 HG3 GLU 16 HG3 GLU 16 13.597 1.878 -2.217 123 H HIS 17 H HIS 17 13.181 -0.354 -3.997 124 HA HIS 17 HA HIS 17 14.743 -1.483 -1.799 125 HB2 HIS 17 HB2 HIS 17 12.315 -2.492 -3.314 126 HB3 HIS 17 HB3 HIS 17 13.106 -3.425 -2.093 127 HD1 HIS 17 HD1 HIS 17 13.310 -2.433 0.421 128 HD2 HIS 17 HD2 HIS 17 10.556 -0.631 -2.191 129 HE1 HIS 17 HE1 HIS 17 11.646 -1.146 1.868 130 HE2 HIS 17 HE2 HIS 17 9.992 -0.055 0.305 131 H ALA 18 H ALA 18 14.406 -2.155 -5.264 132 HA ALA 18 HA ALA 18 15.818 -4.623 -5.121 133 HB1 ALA 18 HB1 ALA 18 14.606 -3.764 -7.117 134 HB2 ALA 18 HB2 ALA 18 15.905 -2.600 -7.394 135 HB3 ALA 18 HB3 ALA 18 16.188 -4.376 -7.482 136 H LYS 19 H LYS 19 16.970 -1.212 -5.315 137 HA LYS 19 HA LYS 19 19.741 -1.931 -5.579 138 HB2 LYS 19 HB2 LYS 19 18.439 0.540 -4.315 139 HB3 LYS 19 HB3 LYS 19 20.170 0.424 -4.730 140 HG2 LYS 19 HG2 LYS 19 19.588 0.142 -7.124 141 HG3 LYS 19 HG3 LYS 19 17.872 0.247 -6.744 142 HD2 LYS 19 HD2 LYS 19 18.173 2.459 -5.722 143 HD3 LYS 19 HD3 LYS 19 19.862 2.445 -6.246 144 HE2 LYS 19 HE2 LYS 19 19.163 2.182 -8.591 145 HE3 LYS 19 HE3 LYS 19 17.442 2.172 -8.102 146 HZ1 LYS 19 HZ1 LYS 19 19.369 4.425 -7.634 147 HZ2 LYS 19 HZ2 LYS 19 17.720 4.470 -7.389 148 HZ3 LYS 19 HZ3 LYS 19 18.351 4.354 -8.924 149 H LYS 20 H LYS 20 17.595 -1.454 -2.818 150 HA LYS 20 HA LYS 20 19.667 -1.509 -0.780 151 HB2 LYS 20 HB2 LYS 20 16.689 -1.896 -0.640 152 HB3 LYS 20 HB3 LYS 20 17.715 -1.769 0.775 153 HG2 LYS 20 HG2 LYS 20 18.358 0.516 0.103 154 HG3 LYS 20 HG3 LYS 20 17.346 0.365 -1.332 155 HD2 LYS 20 HD2 LYS 20 15.380 0.034 0.149 156 HD3 LYS 20 HD3 LYS 20 16.454 0.241 1.547 157 HE2 LYS 20 HE2 LYS 20 17.046 2.463 0.711 158 HE3 LYS 20 HE3 LYS 20 15.955 2.256 -0.660 159 HZ1 LYS 20 HZ1 LYS 20 14.108 2.166 0.912 160 HZ2 LYS 20 HZ2 LYS 20 14.971 3.596 1.030 161 HZ3 LYS 20 HZ3 LYS 20 15.167 2.399 2.178 162 H ASN 21 H ASN 21 17.904 -3.992 -2.483 163 HA ASN 21 HA ASN 21 18.654 -5.936 -0.342 164 HB2 ASN 21 HB2 ASN 21 16.269 -5.587 -1.317 165 HB3 ASN 21 HB3 ASN 21 16.847 -6.521 -2.700 166 HD21 ASN 21 HD21 ASN 21 18.130 -8.624 -1.803 167 HD22 ASN 21 HD22 ASN 21 17.240 -9.541 -0.609 168 H GLN 22 H GLN 22 19.979 -4.508 -2.902 169 HA GLN 22 HA GLN 22 21.545 -4.945 -4.447 170 HB2 GLN 22 HB2 GLN 22 22.093 -7.328 -2.672 171 HB3 GLN 22 HB3 GLN 22 23.159 -6.727 -3.947 172 HG2 GLN 22 HG2 GLN 22 23.252 -4.578 -2.799 173 HG3 GLN 22 HG3 GLN 22 22.261 -5.231 -1.472 174 HE21 GLN 22 HE21 GLN 22 25.383 -4.583 -2.480 175 HE22 GLN 22 HE22 GLN 22 26.227 -5.694 -1.392 176 H ALA 23 H ALA 23 19.085 -5.628 -5.180 177 HA ALA 23 HA ALA 23 19.343 -8.226 -6.559 178 HB1 ALA 23 HB1 ALA 23 16.818 -8.269 -6.465 179 HB2 ALA 23 HB2 ALA 23 17.566 -8.329 -4.870 180 HB3 ALA 23 HB3 ALA 23 16.881 -6.805 -5.448 181 H HIS 24 H HIS 24 18.668 -8.303 -8.724 182 HA HIS 24 HA HIS 24 18.696 -5.595 -10.013 183 HB2 HIS 24 HB2 HIS 24 19.545 -6.635 -11.925 184 HB3 HIS 24 HB3 HIS 24 20.487 -7.249 -10.559 185 HD1 HIS 24 HD1 HIS 24 18.673 -8.253 -13.572 186 HD2 HIS 24 HD2 HIS 24 19.414 -10.072 -9.850 187 HE1 HIS 24 HE1 HIS 24 18.303 -10.773 -13.861 188 HE2 HIS 24 HE2 HIS 24 18.859 -11.834 -11.602 189 H LYS 25 H LYS 25 16.575 -8.249 -9.377 190 HA LYS 25 HA LYS 25 14.547 -7.185 -11.249 191 HB2 LYS 25 HB2 LYS 25 16.177 -8.947 -12.313 192 HB3 LYS 25 HB3 LYS 25 15.397 -10.119 -11.264 193 HG2 LYS 25 HG2 LYS 25 14.087 -8.487 -13.450 194 HG3 LYS 25 HG3 LYS 25 14.672 -10.129 -13.597 195 HD2 LYS 25 HD2 LYS 25 13.041 -10.840 -11.839 196 HD3 LYS 25 HD3 LYS 25 12.373 -9.205 -11.911 197 HE2 LYS 25 HE2 LYS 25 12.606 -11.107 -14.225 198 HE3 LYS 25 HE3 LYS 25 11.147 -10.764 -13.292 199 HZ1 LYS 25 HZ1 LYS 25 12.627 -8.985 -15.098 200 HZ2 LYS 25 HZ2 LYS 25 11.466 -8.386 -14.060 201 HZ3 LYS 25 HZ3 LYS 25 11.079 -9.495 -15.240 202 H ILE 26 H ILE 26 12.528 -7.387 -10.336 203 HA ILE 26 HA ILE 26 12.225 -9.021 -7.872 204 HB ILE 26 HB ILE 26 10.552 -6.639 -8.867 205 HG12 ILE 26 HG12 ILE 26 12.524 -6.856 -6.532 206 HG13 ILE 26 HG13 ILE 26 12.981 -6.179 -8.079 207 HG21 ILE 26 HG21 ILE 26 10.441 -8.262 -6.274 208 HG22 ILE 26 HG22 ILE 26 9.566 -6.783 -6.524 209 HG23 ILE 26 HG23 ILE 26 9.188 -8.212 -7.512 210 HD11 ILE 26 HD11 ILE 26 11.243 -4.389 -7.837 211 HD12 ILE 26 HD12 ILE 26 12.412 -4.392 -6.446 212 HD13 ILE 26 HD13 ILE 26 10.790 -5.099 -6.248 213 H GLU 27 H GLU 27 11.034 -10.894 -8.003 214 HA GLU 27 HA GLU 27 9.424 -11.307 -10.422 215 HB2 GLU 27 HB2 GLU 27 10.207 -13.167 -8.251 216 HB3 GLU 27 HB3 GLU 27 9.239 -13.579 -9.633 217 HG2 GLU 27 HG2 GLU 27 12.039 -12.538 -9.845 218 HG3 GLU 27 HG3 GLU 27 11.610 -14.230 -9.802 219 H ARG 28 H ARG 28 8.838 -10.712 -6.993 220 HA ARG 28 HA ARG 28 5.929 -10.935 -7.541 221 HB2 ARG 28 HB2 ARG 28 6.843 -13.093 -6.422 222 HB3 ARG 28 HB3 ARG 28 7.297 -12.046 -5.084 223 HG2 ARG 28 HG2 ARG 28 4.866 -11.407 -4.777 224 HG3 ARG 28 HG3 ARG 28 4.462 -12.686 -5.957 225 HD2 ARG 28 HD2 ARG 28 5.970 -13.084 -3.363 226 HD3 ARG 28 HD3 ARG 28 4.260 -13.442 -3.626 227 HE ARG 28 HE ARG 28 5.731 -14.843 -5.596 228 HH11 ARG 28 HH11 ARG 28 6.119 -17.007 -5.425 229 HH12 ARG 28 HH12 ARG 28 6.236 -17.772 -3.859 230 HH21 ARG 28 HH21 ARG 28 5.471 -14.936 -2.051 231 HH22 ARG 28 HH22 ARG 28 5.823 -16.643 -2.019 232 H VAL 29 H VAL 29 4.801 -9.238 -6.621 233 HA VAL 29 HA VAL 29 6.151 -7.740 -4.387 234 HB VAL 29 HB VAL 29 4.487 -6.536 -6.692 235 HG11 VAL 29 HG11 VAL 29 4.091 -5.372 -4.545 236 HG12 VAL 29 HG12 VAL 29 5.809 -5.305 -4.224 237 HG13 VAL 29 HG13 VAL 29 5.081 -4.369 -5.528 238 HG21 VAL 29 HG21 VAL 29 7.450 -6.140 -5.961 239 HG22 VAL 29 HG22 VAL 29 6.554 -5.325 -7.261 240 HG23 VAL 29 HG23 VAL 29 6.847 -7.093 -7.331 241 H VAL 30 H VAL 30 4.781 -7.927 -2.553 242 HA VAL 30 HA VAL 30 1.893 -8.192 -3.261 243 HB VAL 30 HB VAL 30 1.431 -9.425 -1.232 244 HG11 VAL 30 HG11 VAL 30 2.123 -10.599 -3.421 245 HG12 VAL 30 HG12 VAL 30 3.732 -10.803 -2.686 246 HG13 VAL 30 HG13 VAL 30 2.319 -11.581 -1.936 247 HG21 VAL 30 HG21 VAL 30 3.311 -8.604 0.184 248 HG22 VAL 30 HG22 VAL 30 4.410 -9.609 -0.769 249 HG23 VAL 30 HG23 VAL 30 3.103 -10.372 0.210 250 H VAL 31 H VAL 31 0.533 -6.810 -2.224 251 HA VAL 31 HA VAL 31 1.936 -4.736 -0.598 252 HB VAL 31 HB VAL 31 0.429 -3.035 -1.738 253 HG11 VAL 31 HG11 VAL 31 2.061 -4.623 -3.757 254 HG12 VAL 31 HG12 VAL 31 2.709 -3.453 -2.604 255 HG13 VAL 31 HG13 VAL 31 1.589 -2.908 -3.874 256 HG21 VAL 31 HG21 VAL 31 -0.797 -3.612 -3.741 257 HG22 VAL 31 HG22 VAL 31 -0.278 -5.301 -3.587 258 HG23 VAL 31 HG23 VAL 31 -1.381 -4.613 -2.371 259 H GLY 32 H GLY 32 0.545 -3.458 0.723 260 HA2 GLY 32 HA2 GLY 32 -1.858 -4.987 1.584 261 HA3 GLY 32 HA3 GLY 32 -0.835 -4.081 2.697 262 H ILE 33 H ILE 33 -3.688 -3.883 1.054 263 HA ILE 33 HA ILE 33 -3.442 -0.896 0.835 264 HB ILE 33 HB ILE 33 -5.147 -2.756 -0.938 265 HG12 ILE 33 HG12 ILE 33 -2.858 -0.894 -1.639 266 HG13 ILE 33 HG13 ILE 33 -2.700 -2.641 -1.517 267 HG21 ILE 33 HG21 ILE 33 -5.920 -0.751 -2.057 268 HG22 ILE 33 HG22 ILE 33 -4.886 0.275 -1.027 269 HG23 ILE 33 HG23 ILE 33 -6.310 -0.579 -0.354 270 HD11 ILE 33 HD11 ILE 33 -2.887 -2.109 -3.900 271 HD12 ILE 33 HD12 ILE 33 -4.499 -2.762 -3.434 272 HD13 ILE 33 HD13 ILE 33 -4.236 -1.003 -3.596 273 H GLY 34 H GLY 34 -4.887 0.127 2.101 274 HA2 GLY 34 HA2 GLY 34 -6.188 -1.489 4.047 275 HA3 GLY 34 HA3 GLY 34 -6.319 0.251 3.883 276 H GLU 35 H GLU 35 -8.295 -1.719 4.615 277 HA GLU 35 HA GLU 35 -10.171 -2.111 2.499 278 HB2 GLU 35 HB2 GLU 35 -11.738 -2.653 4.259 279 HB3 GLU 35 HB3 GLU 35 -10.137 -3.358 4.644 280 HG2 GLU 35 HG2 GLU 35 -9.644 -1.538 6.158 281 HG3 GLU 35 HG3 GLU 35 -11.222 -0.818 5.883 282 H ARG 36 H ARG 36 -9.475 0.704 4.419 283 HA ARG 36 HA ARG 36 -11.696 2.167 3.067 284 HB2 ARG 36 HB2 ARG 36 -10.424 2.716 5.737 285 HB3 ARG 36 HB3 ARG 36 -11.577 3.763 4.965 286 HG2 ARG 36 HG2 ARG 36 -13.247 2.032 4.970 287 HG3 ARG 36 HG3 ARG 36 -12.141 0.934 5.758 288 HD2 ARG 36 HD2 ARG 36 -11.976 2.366 7.688 289 HD3 ARG 36 HD3 ARG 36 -13.111 3.503 6.961 290 HE ARG 36 HE ARG 36 -13.804 0.893 8.029 291 HH11 ARG 36 HH11 ARG 36 -15.984 0.310 7.976 292 HH12 ARG 36 HH12 ARG 36 -17.153 1.438 7.343 293 HH21 ARG 36 HH21 ARG 36 -14.875 3.761 6.275 294 HH22 ARG 36 HH22 ARG 36 -16.536 3.263 6.344 295 H SER 37 H SER 37 -8.992 1.571 2.087 296 HA SER 37 HA SER 37 -7.560 4.115 2.144 297 HB2 SER 37 HB2 SER 37 -6.232 3.189 0.369 298 HB3 SER 37 HB3 SER 37 -6.397 1.970 1.626 299 HG SER 37 HG SER 37 -7.769 0.858 0.368 300 H ALA 38 H ALA 38 -7.491 5.564 0.347 301 HA ALA 38 HA ALA 38 -10.078 6.125 -0.844 302 HB1 ALA 38 HB1 ALA 38 -8.427 7.858 -0.341 303 HB2 ALA 38 HB2 ALA 38 -8.847 7.881 -2.042 304 HB3 ALA 38 HB3 ALA 38 -7.313 7.198 -1.533 305 H MET 39 H MET 39 -7.538 4.050 -1.665 306 HA MET 39 HA MET 39 -7.523 4.171 -4.484 307 HB2 MET 39 HB2 MET 39 -6.660 2.034 -2.528 308 HB3 MET 39 HB3 MET 39 -6.269 2.049 -4.260 309 HG2 MET 39 HG2 MET 39 -5.106 4.167 -4.007 310 HG3 MET 39 HG3 MET 39 -5.515 4.231 -2.286 311 HE1 MET 39 HE1 MET 39 -3.445 2.677 -4.992 312 HE2 MET 39 HE2 MET 39 -2.503 1.425 -4.138 313 HE3 MET 39 HE3 MET 39 -4.204 1.159 -4.441 314 H ASP 40 H ASP 40 -8.183 2.967 -6.066 315 HA ASP 40 HA ASP 40 -10.593 1.251 -5.611 316 HB2 ASP 40 HB2 ASP 40 -10.694 3.181 -7.222 317 HB3 ASP 40 HB3 ASP 40 -9.462 2.386 -8.196 318 H LYS 41 H LYS 41 -10.019 -0.925 -5.476 319 HA LYS 41 HA LYS 41 -7.377 -1.809 -6.112 320 HB2 LYS 41 HB2 LYS 41 -10.012 -3.252 -5.597 321 HB3 LYS 41 HB3 LYS 41 -8.445 -4.049 -5.675 322 HG2 LYS 41 HG2 LYS 41 -7.625 -2.852 -3.735 323 HG3 LYS 41 HG3 LYS 41 -9.106 -1.907 -3.624 324 HD2 LYS 41 HD2 LYS 41 -9.259 -3.592 -2.005 325 HD3 LYS 41 HD3 LYS 41 -10.381 -4.014 -3.294 326 HE2 LYS 41 HE2 LYS 41 -8.721 -5.646 -4.179 327 HE3 LYS 41 HE3 LYS 41 -7.676 -5.236 -2.816 328 HZ1 LYS 41 HZ1 LYS 41 -9.306 -6.089 -1.290 329 HZ2 LYS 41 HZ2 LYS 41 -10.385 -6.340 -2.519 330 HZ3 LYS 41 HZ3 LYS 41 -9.029 -7.238 -2.435 331 H SER 42 H SER 42 -10.333 -1.752 -7.985 332 HA SER 42 HA SER 42 -9.398 -3.793 -9.839 333 HB2 SER 42 HB2 SER 42 -11.598 -1.714 -10.135 334 HB3 SER 42 HB3 SER 42 -11.285 -3.033 -11.238 335 HG SER 42 HG SER 42 -12.818 -3.755 -9.776 336 H LEU 43 H LEU 43 -9.314 -0.199 -9.617 337 HA LEU 43 HA LEU 43 -8.183 -0.048 -12.347 338 HB2 LEU 43 HB2 LEU 43 -8.270 2.034 -10.102 339 HB3 LEU 43 HB3 LEU 43 -7.750 2.333 -11.775 340 HG LEU 43 HG LEU 43 -10.523 1.388 -10.950 341 HD11 LEU 43 HD11 LEU 43 -9.445 4.138 -11.737 342 HD12 LEU 43 HD12 LEU 43 -10.128 3.679 -10.156 343 HD13 LEU 43 HD13 LEU 43 -11.166 3.747 -11.551 344 HD21 LEU 43 HD21 LEU 43 -11.115 2.003 -13.273 345 HD22 LEU 43 HD22 LEU 43 -9.914 0.722 -13.234 346 HD23 LEU 43 HD23 LEU 43 -9.392 2.407 -13.572 347 H PHE 44 H PHE 44 -7.086 -0.400 -9.022 348 HA PHE 44 HA PHE 44 -4.405 0.478 -9.441 349 HB2 PHE 44 HB2 PHE 44 -5.402 0.064 -7.154 350 HB3 PHE 44 HB3 PHE 44 -5.474 -1.682 -7.516 351 HD1 PHE 44 HD1 PHE 44 -3.125 1.160 -7.027 352 HD2 PHE 44 HD2 PHE 44 -3.583 -3.095 -7.280 353 HE1 PHE 44 HE1 PHE 44 -0.918 0.848 -6.025 354 HE2 PHE 44 HE2 PHE 44 -1.419 -3.399 -6.206 355 HZ PHE 44 HZ PHE 44 -0.085 -1.406 -5.550 356 H VAL 45 H VAL 45 -5.919 -2.836 -9.766 357 HA VAL 45 HA VAL 45 -3.336 -3.949 -10.502 358 HB VAL 45 HB VAL 45 -4.566 -6.000 -11.152 359 HG11 VAL 45 HG11 VAL 45 -4.100 -5.499 -8.756 360 HG12 VAL 45 HG12 VAL 45 -5.727 -4.830 -8.569 361 HG13 VAL 45 HG13 VAL 45 -5.521 -6.532 -8.928 362 HG21 VAL 45 HG21 VAL 45 -7.164 -4.440 -10.594 363 HG22 VAL 45 HG22 VAL 45 -7.059 -6.152 -10.982 364 HG23 VAL 45 HG23 VAL 45 -6.609 -4.968 -12.209 365 H SER 46 H SER 46 -5.859 -2.197 -12.184 366 HA SER 46 HA SER 46 -5.089 -3.205 -14.791 367 HB2 SER 46 HB2 SER 46 -7.288 -2.076 -14.322 368 HB3 SER 46 HB3 SER 46 -6.444 -0.605 -14.001 369 HG SER 46 HG SER 46 -7.155 -0.546 -16.115 370 H ALA 47 H ALA 47 -4.317 -0.395 -12.781 371 HA ALA 47 HA ALA 47 -2.484 0.857 -14.588 372 HB1 ALA 47 HB1 ALA 47 -1.752 2.083 -12.511 373 HB2 ALA 47 HB2 ALA 47 -2.908 1.046 -11.616 374 HB3 ALA 47 HB3 ALA 47 -3.468 2.137 -12.911 375 H PHE 48 H PHE 48 -2.024 -1.691 -12.122 376 HA PHE 48 HA PHE 48 0.823 -1.435 -12.265 377 HB2 PHE 48 HB2 PHE 48 -0.415 -2.553 -10.380 378 HB3 PHE 48 HB3 PHE 48 -0.737 -3.908 -11.475 379 HD1 PHE 48 HD1 PHE 48 1.810 -2.157 -9.481 380 HD2 PHE 48 HD2 PHE 48 1.065 -5.420 -12.174 381 HE1 PHE 48 HE1 PHE 48 3.984 -3.171 -8.849 382 HE2 PHE 48 HE2 PHE 48 3.258 -6.452 -11.630 383 HZ PHE 48 HZ PHE 48 4.758 -5.313 -9.901 384 H GLU 49 H GLU 49 -1.482 -3.273 -14.278 385 HA GLU 49 HA GLU 49 0.632 -4.749 -15.583 386 HB2 GLU 49 HB2 GLU 49 -2.150 -4.024 -16.540 387 HB3 GLU 49 HB3 GLU 49 -1.075 -5.175 -17.373 388 HG2 GLU 49 HG2 GLU 49 -1.083 -6.526 -15.257 389 HG3 GLU 49 HG3 GLU 49 -2.237 -5.415 -14.575 390 H THR 50 H THR 50 -0.902 -1.581 -16.004 391 HA THR 50 HA THR 50 0.219 -1.017 -18.583 392 HB THR 50 HB THR 50 -0.701 0.929 -16.426 393 HG1 THR 50 HG1 THR 50 -2.296 -0.610 -17.012 394 HG21 THR 50 HG21 THR 50 0.542 2.009 -18.288 395 HG22 THR 50 HG22 THR 50 -1.186 2.412 -18.341 396 HG23 THR 50 HG23 THR 50 -0.515 1.207 -19.474 397 H PHE 51 H PHE 51 1.300 -0.251 -15.257 398 HA PHE 51 HA PHE 51 3.696 1.088 -16.335 399 HB2 PHE 51 HB2 PHE 51 2.845 0.537 -13.472 400 HB3 PHE 51 HB3 PHE 51 4.315 1.327 -13.933 401 HD1 PHE 51 HD1 PHE 51 0.747 1.997 -13.471 402 HD2 PHE 51 HD2 PHE 51 4.400 3.427 -15.252 403 HE1 PHE 51 HE1 PHE 51 -0.176 4.270 -13.544 404 HE2 PHE 51 HE2 PHE 51 3.420 5.710 -15.424 405 HZ PHE 51 HZ PHE 51 1.116 6.124 -14.611 406 H ARG 52 H ARG 52 3.054 -2.234 -15.224 407 HA ARG 52 HA ARG 52 5.714 -2.516 -14.159 408 HB2 ARG 52 HB2 ARG 52 5.448 -4.858 -14.229 409 HB3 ARG 52 HB3 ARG 52 3.910 -4.221 -13.725 410 HG2 ARG 52 HG2 ARG 52 2.991 -4.719 -16.002 411 HG3 ARG 52 HG3 ARG 52 4.608 -5.158 -16.526 412 HD2 ARG 52 HD2 ARG 52 3.584 -7.212 -16.132 413 HD3 ARG 52 HD3 ARG 52 4.735 -6.938 -14.840 414 HE ARG 52 HE ARG 52 3.031 -6.885 -13.285 415 HH11 ARG 52 HH11 ARG 52 1.707 -7.229 -16.539 416 HH12 ARG 52 HH12 ARG 52 0.209 -7.875 -15.990 417 HH21 ARG 52 HH21 ARG 52 0.989 -7.581 -12.622 418 HH22 ARG 52 HH22 ARG 52 -0.243 -7.881 -13.792 419 H GLU 53 H GLU 53 4.639 -2.698 -17.470 420 HA GLU 53 HA GLU 53 7.070 -3.963 -18.449 421 HB2 GLU 53 HB2 GLU 53 6.250 -3.355 -20.645 422 HB3 GLU 53 HB3 GLU 53 4.893 -3.867 -19.665 423 HG2 GLU 53 HG2 GLU 53 4.210 -1.616 -19.347 424 HG3 GLU 53 HG3 GLU 53 5.550 -1.030 -20.362 425 H GLU 54 H GLU 54 6.431 -0.678 -17.474 426 HA GLU 54 HA GLU 54 8.352 0.706 -19.134 427 HB2 GLU 54 HB2 GLU 54 7.182 1.279 -16.383 428 HB3 GLU 54 HB3 GLU 54 8.199 2.400 -17.290 429 HG2 GLU 54 HG2 GLU 54 5.691 1.416 -18.546 430 HG3 GLU 54 HG3 GLU 54 5.704 2.763 -17.403 431 H SER 55 H SER 55 8.677 -1.401 -16.368 432 HA SER 55 HA SER 55 11.551 -0.545 -16.258 433 HB2 SER 55 HB2 SER 55 10.384 0.324 -14.247 434 HB3 SER 55 HB3 SER 55 9.805 -1.332 -13.882 435 HG SER 55 HG SER 55 12.048 -0.257 -13.084 436 H LEU 56 H LEU 56 12.983 -2.130 -16.463 437 HA LEU 56 HA LEU 56 12.151 -4.786 -17.170 438 HB2 LEU 56 HB2 LEU 56 14.265 -3.582 -17.841 439 HB3 LEU 56 HB3 LEU 56 14.852 -3.776 -16.171 440 HG LEU 56 HG LEU 56 15.932 -5.242 -17.742 441 HD11 LEU 56 HD11 LEU 56 14.337 -7.009 -15.854 442 HD12 LEU 56 HD12 LEU 56 15.653 -5.926 -15.309 443 HD13 LEU 56 HD13 LEU 56 16.004 -7.220 -16.454 444 HD21 LEU 56 HD21 LEU 56 14.750 -7.147 -18.748 445 HD22 LEU 56 HD22 LEU 56 14.048 -5.622 -19.274 446 HD23 LEU 56 HD23 LEU 56 13.215 -6.585 -18.032 447 H VAL 57 H VAL 57 13.202 -3.246 -14.199 448 HA VAL 57 HA VAL 57 13.738 -5.483 -12.635 449 HB VAL 57 HB VAL 57 12.688 -2.743 -11.822 450 HG11 VAL 57 HG11 VAL 57 14.228 -4.732 -10.108 451 HG12 VAL 57 HG12 VAL 57 13.611 -3.169 -9.625 452 HG13 VAL 57 HG13 VAL 57 12.506 -4.490 -10.003 453 HG21 VAL 57 HG21 VAL 57 15.511 -3.845 -12.179 454 HG22 VAL 57 HG22 VAL 57 15.127 -2.295 -11.385 455 HG23 VAL 57 HG23 VAL 57 14.749 -2.536 -13.089 456 H CYS 58 H CYS 58 10.616 -3.830 -13.182 457 HA CYS 58 HA CYS 58 9.340 -5.909 -11.487 458 HB2 CYS 58 HB2 CYS 58 8.402 -3.213 -12.452 459 HB3 CYS 58 HB3 CYS 58 7.454 -4.267 -11.369 460 HG CYS 58 HG CYS 58 8.442 -2.323 -10.000 461 H LYS 59 H LYS 59 9.966 -5.672 -14.666 462 HA LYS 59 HA LYS 59 7.426 -5.647 -15.946 463 HB2 LYS 59 HB2 LYS 59 9.607 -5.360 -17.046 464 HB3 LYS 59 HB3 LYS 59 9.906 -7.073 -16.900 465 HG2 LYS 59 HG2 LYS 59 7.952 -7.547 -18.293 466 HG3 LYS 59 HG3 LYS 59 7.578 -5.845 -18.349 467 HD2 LYS 59 HD2 LYS 59 8.575 -6.348 -20.392 468 HD3 LYS 59 HD3 LYS 59 9.822 -5.482 -19.468 469 HE2 LYS 59 HE2 LYS 59 10.892 -7.620 -18.890 470 HE3 LYS 59 HE3 LYS 59 9.594 -8.442 -19.815 471 HZ1 LYS 59 HZ1 LYS 59 11.781 -8.034 -20.991 472 HZ2 LYS 59 HZ2 LYS 59 11.347 -6.433 -21.085 473 HZ3 LYS 59 HZ3 LYS 59 10.391 -7.575 -21.819 474 H ASP 60 H ASP 60 9.097 -8.456 -14.533 475 HA ASP 60 HA ASP 60 6.723 -10.091 -15.416 476 HB2 ASP 60 HB2 ASP 60 9.470 -10.923 -14.396 477 HB3 ASP 60 HB3 ASP 60 8.125 -12.059 -14.709 478 H ALA 61 H ALA 61 7.230 -8.089 -12.941 479 HA ALA 61 HA ALA 61 7.086 -9.837 -10.674 480 HB1 ALA 61 HB1 ALA 61 6.398 -7.836 -9.418 481 HB2 ALA 61 HB2 ALA 61 6.170 -6.930 -10.938 482 HB3 ALA 61 HB3 ALA 61 7.808 -7.484 -10.467 483 H ILE 62 H ILE 62 5.420 -10.605 -9.465 484 HA ILE 62 HA ILE 62 2.739 -10.635 -10.747 485 HB ILE 62 HB ILE 62 3.838 -12.248 -8.416 486 HG12 ILE 62 HG12 ILE 62 3.241 -13.128 -11.258 487 HG13 ILE 62 HG13 ILE 62 4.838 -12.714 -10.696 488 HG21 ILE 62 HG21 ILE 62 1.199 -12.598 -9.947 489 HG22 ILE 62 HG22 ILE 62 1.320 -11.870 -8.355 490 HG23 ILE 62 HG23 ILE 62 1.757 -13.578 -8.592 491 HD11 ILE 62 HD11 ILE 62 4.619 -15.123 -10.683 492 HD12 ILE 62 HD12 ILE 62 3.156 -14.969 -9.632 493 HD13 ILE 62 HD13 ILE 62 4.759 -14.506 -9.012 494 H LEU 63 H LEU 63 1.140 -9.370 -9.838 495 HA LEU 63 HA LEU 63 1.819 -7.961 -7.243 496 HB2 LEU 63 HB2 LEU 63 1.439 -6.618 -9.243 497 HB3 LEU 63 HB3 LEU 63 -0.115 -7.311 -9.510 498 HG LEU 63 HG LEU 63 -0.135 -4.985 -8.725 499 HD11 LEU 63 HD11 LEU 63 -2.032 -6.616 -8.175 500 HD12 LEU 63 HD12 LEU 63 -1.917 -5.101 -7.253 501 HD13 LEU 63 HD13 LEU 63 -1.330 -6.607 -6.504 502 HD21 LEU 63 HD21 LEU 63 0.905 -5.965 -6.053 503 HD22 LEU 63 HD22 LEU 63 0.566 -4.294 -6.592 504 HD23 LEU 63 HD23 LEU 63 1.917 -5.152 -7.294 505 H ASP 64 H ASP 64 0.627 -8.375 -5.462 506 HA ASP 64 HA ASP 64 -2.009 -9.725 -5.751 507 HB2 ASP 64 HB2 ASP 64 -0.100 -11.356 -5.415 508 HB3 ASP 64 HB3 ASP 64 0.115 -10.629 -3.809 509 H ILE 65 H ILE 65 -3.469 -8.629 -4.549 510 HA ILE 65 HA ILE 65 -2.475 -6.574 -2.613 511 HB ILE 65 HB ILE 65 -5.294 -7.101 -3.695 512 HG12 ILE 65 HG12 ILE 65 -3.358 -4.892 -4.501 513 HG13 ILE 65 HG13 ILE 65 -3.599 -6.349 -5.455 514 HG21 ILE 65 HG21 ILE 65 -5.542 -5.957 -1.586 515 HG22 ILE 65 HG22 ILE 65 -5.684 -4.666 -2.805 516 HG23 ILE 65 HG23 ILE 65 -4.185 -4.893 -1.897 517 HD11 ILE 65 HD11 ILE 65 -4.934 -4.593 -6.428 518 HD12 ILE 65 HD12 ILE 65 -6.053 -5.705 -5.741 519 HD13 ILE 65 HD13 ILE 65 -5.688 -4.210 -4.900 520 H VAL 66 H VAL 66 -2.664 -6.765 -0.524 521 HA VAL 66 HA VAL 66 -4.436 -8.880 0.641 522 HB VAL 66 HB VAL 66 -2.031 -7.410 1.860 523 HG11 VAL 66 HG11 VAL 66 -3.746 -9.703 2.962 524 HG12 VAL 66 HG12 VAL 66 -3.720 -7.991 3.537 525 HG13 VAL 66 HG13 VAL 66 -2.270 -9.000 3.712 526 HG21 VAL 66 HG21 VAL 66 -1.344 -9.026 0.140 527 HG22 VAL 66 HG22 VAL 66 -2.254 -10.324 0.988 528 HG23 VAL 66 HG23 VAL 66 -0.861 -9.559 1.812 529 H ASP 67 H ASP 67 -6.275 -8.095 1.655 530 HA ASP 67 HA ASP 67 -6.642 -5.187 1.929 531 HB2 ASP 67 HB2 ASP 67 -8.252 -7.628 2.909 532 HB3 ASP 67 HB3 ASP 67 -8.766 -5.954 3.155 533 H GLU 68 H GLU 68 -6.336 -3.979 3.755 534 HA GLU 68 HA GLU 68 -5.720 -5.477 6.236 535 HB2 GLU 68 HB2 GLU 68 -4.319 -3.005 5.221 536 HB3 GLU 68 HB3 GLU 68 -4.108 -3.745 6.820 537 HG2 GLU 68 HG2 GLU 68 -3.338 -5.773 5.725 538 HG3 GLU 68 HG3 GLU 68 -3.430 -5.037 4.145 539 H LYS 69 H LYS 69 -6.407 -4.765 8.159 540 HA LYS 69 HA LYS 69 -8.633 -2.777 8.145 541 HB2 LYS 69 HB2 LYS 69 -7.266 -4.540 10.231 542 HB3 LYS 69 HB3 LYS 69 -8.237 -3.167 10.713 543 HG2 LYS 69 HG2 LYS 69 -9.662 -5.118 10.769 544 HG3 LYS 69 HG3 LYS 69 -10.149 -4.048 9.472 545 HD2 LYS 69 HD2 LYS 69 -9.006 -5.469 7.847 546 HD3 LYS 69 HD3 LYS 69 -8.592 -6.576 9.140 547 HE2 LYS 69 HE2 LYS 69 -11.044 -6.889 9.647 548 HE3 LYS 69 HE3 LYS 69 -11.408 -5.762 8.306 549 HZ1 LYS 69 HZ1 LYS 69 -10.249 -7.288 6.785 550 HZ2 LYS 69 HZ2 LYS 69 -11.568 -7.993 7.517 551 HZ3 LYS 69 HZ3 LYS 69 -10.038 -8.372 8.033 552 H VAL 70 H VAL 70 -8.593 -0.816 9.027 553 HA VAL 70 HA VAL 70 -6.072 0.597 8.930 554 HB VAL 70 HB VAL 70 -7.461 2.663 9.163 555 HG11 VAL 70 HG11 VAL 70 -8.857 0.718 7.288 556 HG12 VAL 70 HG12 VAL 70 -8.709 2.468 7.106 557 HG13 VAL 70 HG13 VAL 70 -7.258 1.428 6.993 558 HG21 VAL 70 HG21 VAL 70 -9.163 1.744 10.760 559 HG22 VAL 70 HG22 VAL 70 -9.938 2.533 9.351 560 HG23 VAL 70 HG23 VAL 70 -9.882 0.794 9.452 561 H GLU 71 H GLU 71 -5.333 2.092 10.398 562 HA GLU 71 HA GLU 71 -6.054 1.643 13.260 563 HB2 GLU 71 HB2 GLU 71 -3.674 0.825 12.868 564 HB3 GLU 71 HB3 GLU 71 -3.309 2.382 12.168 565 HG2 GLU 71 HG2 GLU 71 -3.736 3.520 14.300 566 HG3 GLU 71 HG3 GLU 71 -4.091 1.990 15.027 567 H LEU 72 H LEU 72 -6.375 3.651 14.379 568 HA LEU 72 HA LEU 72 -6.469 5.972 12.498 569 HB2 LEU 72 HB2 LEU 72 -8.412 5.351 14.780 570 HB3 LEU 72 HB3 LEU 72 -8.468 6.748 13.722 571 HG LEU 72 HG LEU 72 -8.871 3.910 12.795 572 HD11 LEU 72 HD11 LEU 72 -11.244 4.445 12.720 573 HD12 LEU 72 HD12 LEU 72 -10.906 6.159 13.209 574 HD13 LEU 72 HD13 LEU 72 -10.612 4.795 14.362 575 HD21 LEU 72 HD21 LEU 72 -9.396 6.529 11.308 576 HD22 LEU 72 HD22 LEU 72 -9.537 4.877 10.692 577 HD23 LEU 72 HD23 LEU 72 -7.961 5.520 11.112 578 H GLU 73 H GLU 73 -6.024 7.882 13.114 579 HA GLU 73 HA GLU 73 -4.975 8.297 15.877 580 HB2 GLU 73 HB2 GLU 73 -3.095 8.211 14.246 581 HB3 GLU 73 HB3 GLU 73 -3.900 9.399 13.242 582 HG2 GLU 73 HG2 GLU 73 -3.693 11.072 15.022 583 HG3 GLU 73 HG3 GLU 73 -2.803 9.913 16.023 584 H CYS 74 H CYS 74 -5.669 10.229 16.690 585 HA CYS 74 HA CYS 74 -7.822 11.510 15.151 586 HB2 CYS 74 HB2 CYS 74 -8.292 10.413 17.320 587 HB3 CYS 74 HB3 CYS 74 -7.110 11.511 18.135 588 H LYS 75 H LYS 75 -7.693 13.771 14.807 589 HA LYS 75 HA LYS 75 -5.065 15.050 14.752 590 HB2 LYS 75 HB2 LYS 75 -7.833 16.284 14.575 591 HB3 LYS 75 HB3 LYS 75 -6.304 17.121 14.350 592 HG2 LYS 75 HG2 LYS 75 -5.724 15.648 12.454 593 HG3 LYS 75 HG3 LYS 75 -7.265 14.846 12.647 594 HD2 LYS 75 HD2 LYS 75 -7.500 16.427 10.843 595 HD3 LYS 75 HD3 LYS 75 -8.399 17.037 12.279 596 HE2 LYS 75 HE2 LYS 75 -6.466 18.550 12.784 597 HE3 LYS 75 HE3 LYS 75 -5.603 17.897 11.369 598 HZ1 LYS 75 HZ1 LYS 75 -6.651 19.880 10.731 599 HZ2 LYS 75 HZ2 LYS 75 -8.097 19.416 11.339 600 HZ3 LYS 75 HZ3 LYS 75 -7.505 18.638 10.016 601 H ASP 76 H ASP 76 -4.419 16.877 16.405 602 HA ASP 76 HA ASP 76 -3.688 15.256 18.385 603 HB2 ASP 76 HB2 ASP 76 -4.209 18.291 18.706 604 HB3 ASP 76 HB3 ASP 76 -3.103 17.331 19.710 605 H CYS 77 H CYS 77 -4.789 14.051 19.200 606 HA CYS 77 HA CYS 77 -5.974 14.345 21.869 607 HB2 CYS 77 HB2 CYS 77 -7.940 14.507 20.321 608 HB3 CYS 77 HB3 CYS 77 -7.263 13.162 19.392 609 H SER 78 H SER 78 -3.874 13.182 22.341 610 HA SER 78 HA SER 78 -2.902 11.214 20.420 611 HB2 SER 78 HB2 SER 78 -1.456 12.543 21.876 612 HB3 SER 78 HB3 SER 78 -2.063 11.672 23.327 613 HG SER 78 HG SER 78 -0.028 10.843 22.394 614 H HIS 79 H HIS 79 -4.163 9.634 20.046 615 HA HIS 79 HA HIS 79 -4.877 7.790 22.198 616 HB2 HIS 79 HB2 HIS 79 -6.640 9.402 21.901 617 HB3 HIS 79 HB3 HIS 79 -7.069 8.585 20.407 618 HD1 HIS 79 HD1 HIS 79 -6.515 7.846 24.146 619 HD2 HIS 79 HD2 HIS 79 -8.524 6.272 20.835 620 HE1 HIS 79 HE1 HIS 79 -7.918 5.896 25.009 621 HE2 HIS 79 HE2 HIS 79 -9.174 4.974 23.010 622 H VAL 80 H VAL 80 -3.002 7.337 19.789 623 HA VAL 80 HA VAL 80 -4.653 6.289 17.724 624 HB VAL 80 HB VAL 80 -1.687 5.813 18.245 625 HG11 VAL 80 HG11 VAL 80 -1.530 5.688 15.702 626 HG12 VAL 80 HG12 VAL 80 -2.392 4.343 16.429 627 HG13 VAL 80 HG13 VAL 80 -3.331 5.645 15.649 628 HG21 VAL 80 HG21 VAL 80 -1.916 8.140 18.263 629 HG22 VAL 80 HG22 VAL 80 -1.500 7.723 16.575 630 HG23 VAL 80 HG23 VAL 80 -3.178 8.077 16.998 631 H PHE 81 H PHE 81 -5.389 4.350 17.174 632 HA PHE 81 HA PHE 81 -4.489 1.790 18.425 633 HB2 PHE 81 HB2 PHE 81 -6.628 1.485 19.505 634 HB3 PHE 81 HB3 PHE 81 -5.981 3.038 20.022 635 HD1 PHE 81 HD1 PHE 81 -6.932 5.182 18.584 636 HD2 PHE 81 HD2 PHE 81 -8.776 1.296 18.692 637 HE1 PHE 81 HE1 PHE 81 -8.994 6.218 17.844 638 HE2 PHE 81 HE2 PHE 81 -10.931 2.308 17.929 639 HZ PHE 81 HZ PHE 81 -11.090 4.804 17.521 640 H LYS 82 H LYS 82 -5.852 -0.093 17.566 641 HA LYS 82 HA LYS 82 -6.886 0.506 14.853 642 HB2 LYS 82 HB2 LYS 82 -6.358 -2.149 16.201 643 HB3 LYS 82 HB3 LYS 82 -7.083 -1.956 14.591 644 HG2 LYS 82 HG2 LYS 82 -4.876 -2.501 14.136 645 HG3 LYS 82 HG3 LYS 82 -4.970 -0.749 13.856 646 HD2 LYS 82 HD2 LYS 82 -3.907 -0.371 16.111 647 HD3 LYS 82 HD3 LYS 82 -3.851 -2.137 16.338 648 HE2 LYS 82 HE2 LYS 82 -2.315 -2.342 14.368 649 HE3 LYS 82 HE3 LYS 82 -2.404 -0.563 14.102 650 HZ1 LYS 82 HZ1 LYS 82 -0.429 -0.989 15.361 651 HZ2 LYS 82 HZ2 LYS 82 -1.211 -1.918 16.456 652 HZ3 LYS 82 HZ3 LYS 82 -1.512 -0.302 16.389 653 HA PRO 83 HA PRO 83 -10.821 0.130 16.939 654 HB2 PRO 83 HB2 PRO 83 -12.550 0.706 14.858 655 HB3 PRO 83 HB3 PRO 83 -11.582 1.968 15.659 656 HG2 PRO 83 HG2 PRO 83 -11.014 0.394 13.164 657 HG3 PRO 83 HG3 PRO 83 -11.013 2.176 13.351 658 HD2 PRO 83 HD2 PRO 83 -8.757 0.704 13.459 659 HD3 PRO 83 HD3 PRO 83 -8.937 2.130 14.558 660 H ASN 84 H ASN 84 -12.569 -1.500 16.992 661 HA ASN 84 HA ASN 84 -12.145 -3.731 15.037 662 HB2 ASN 84 HB2 ASN 84 -12.766 -3.951 17.929 663 HB3 ASN 84 HB3 ASN 84 -12.679 -5.339 16.834 664 HD21 ASN 84 HD21 ASN 84 -10.503 -5.106 15.391 665 HD22 ASN 84 HD22 ASN 84 -9.113 -4.955 16.417 666 H ALA 85 H ALA 85 -14.100 -1.469 14.934 667 HA ALA 85 HA ALA 85 -16.585 -3.053 14.801 668 HB1 ALA 85 HB1 ALA 85 -16.374 -0.556 16.525 669 HB2 ALA 85 HB2 ALA 85 -16.549 -2.225 17.136 670 HB3 ALA 85 HB3 ALA 85 -17.866 -1.493 16.161 671 H LEU 86 H LEU 86 -18.400 -1.519 13.968 672 HA LEU 86 HA LEU 86 -17.326 -0.217 11.600 673 HB2 LEU 86 HB2 LEU 86 -20.141 -0.435 12.646 674 HB3 LEU 86 HB3 LEU 86 -19.666 0.173 11.074 675 HG LEU 86 HG LEU 86 -19.069 -2.641 11.939 676 HD11 LEU 86 HD11 LEU 86 -21.504 -2.104 11.751 677 HD12 LEU 86 HD12 LEU 86 -20.986 -3.153 10.435 678 HD13 LEU 86 HD13 LEU 86 -21.208 -1.473 10.130 679 HD21 LEU 86 HD21 LEU 86 -18.867 -1.278 9.244 680 HD22 LEU 86 HD22 LEU 86 -18.754 -3.007 9.482 681 HD23 LEU 86 HD23 LEU 86 -17.510 -1.943 10.176 682 H ASP 87 H ASP 87 -16.962 0.956 14.447 683 HA ASP 87 HA ASP 87 -18.235 3.576 14.211 684 HB2 ASP 87 HB2 ASP 87 -17.243 4.095 16.358 685 HB3 ASP 87 HB3 ASP 87 -17.905 2.445 16.430 686 H TYR 88 H TYR 88 -16.186 2.465 12.217 687 HA TYR 88 HA TYR 88 -13.729 3.822 12.474 688 HB2 TYR 88 HB2 TYR 88 -15.272 3.154 9.972 689 HB3 TYR 88 HB3 TYR 88 -13.586 3.659 10.016 690 HD1 TYR 88 HD1 TYR 88 -15.937 0.905 10.474 691 HD2 TYR 88 HD2 TYR 88 -11.875 2.146 10.929 692 HE1 TYR 88 HE1 TYR 88 -15.220 -1.496 10.591 693 HE2 TYR 88 HE2 TYR 88 -11.172 -0.274 11.057 694 HH TYR 88 HH TYR 88 -11.775 -2.373 11.009 695 H GLY 89 H GLY 89 -12.985 5.787 11.715 696 HA2 GLY 89 HA2 GLY 89 -13.083 7.831 10.588 697 HA3 GLY 89 HA3 GLY 89 -14.861 7.706 10.429 698 H VAL 90 H VAL 90 -14.091 7.042 13.644 699 HA VAL 90 HA VAL 90 -13.798 9.885 14.408 700 HB VAL 90 HB VAL 90 -15.499 9.640 16.237 701 HG11 VAL 90 HG11 VAL 90 -17.464 10.013 14.888 702 HG12 VAL 90 HG12 VAL 90 -16.113 10.701 14.033 703 HG13 VAL 90 HG13 VAL 90 -16.813 9.174 13.490 704 HG21 VAL 90 HG21 VAL 90 -15.489 7.195 16.388 705 HG22 VAL 90 HG22 VAL 90 -17.164 7.818 16.095 706 HG23 VAL 90 HG23 VAL 90 -16.239 7.075 14.789 707 H CYS 91 H CYS 91 -13.043 10.010 16.601 708 HA CYS 91 HA CYS 91 -11.108 7.928 17.272 709 HB2 CYS 91 HB2 CYS 91 -10.796 10.428 17.582 710 HB3 CYS 91 HB3 CYS 91 -12.039 10.385 18.827 711 H GLU 92 H GLU 92 -11.153 7.063 19.634 712 HA GLU 92 HA GLU 92 -13.990 6.425 20.369 713 HB2 GLU 92 HB2 GLU 92 -13.234 4.437 21.418 714 HB3 GLU 92 HB3 GLU 92 -12.563 4.459 19.770 715 HG2 GLU 92 HG2 GLU 92 -10.355 5.218 20.757 716 HG3 GLU 92 HG3 GLU 92 -11.103 5.136 22.349 717 H LYS 93 H LYS 93 -11.092 8.085 21.385 718 HA LYS 93 HA LYS 93 -11.530 8.066 24.244 719 HB2 LYS 93 HB2 LYS 93 -9.383 8.639 23.035 720 HB3 LYS 93 HB3 LYS 93 -10.129 10.133 22.515 721 HG2 LYS 93 HG2 LYS 93 -8.727 10.614 24.335 722 HG3 LYS 93 HG3 LYS 93 -10.389 10.764 24.866 723 HD2 LYS 93 HD2 LYS 93 -10.244 8.569 25.949 724 HD3 LYS 93 HD3 LYS 93 -8.586 8.446 25.381 725 HE2 LYS 93 HE2 LYS 93 -7.984 10.383 26.693 726 HE3 LYS 93 HE3 LYS 93 -9.690 10.562 27.248 727 HZ1 LYS 93 HZ1 LYS 93 -9.417 8.308 28.201 728 HZ2 LYS 93 HZ2 LYS 93 -8.528 9.462 28.956 729 HZ3 LYS 93 HZ3 LYS 93 -7.788 8.369 27.915 730 H CYS 94 H CYS 94 -12.424 9.892 21.533 731 HA CYS 94 HA CYS 94 -14.526 11.455 22.869 732 HB2 CYS 94 HB2 CYS 94 -13.852 13.444 21.608 733 HB3 CYS 94 HB3 CYS 94 -12.466 12.962 22.578 734 H HIS 95 H HIS 95 -15.984 12.023 20.756 735 HA HIS 95 HA HIS 95 -15.436 9.824 18.787 736 HB2 HIS 95 HB2 HIS 95 -18.150 10.721 19.678 737 HB3 HIS 95 HB3 HIS 95 -17.763 9.447 18.478 738 HD1 HIS 95 HD1 HIS 95 -18.084 10.019 22.165 739 HD2 HIS 95 HD2 HIS 95 -16.537 7.131 19.588 740 HE1 HIS 95 HE1 HIS 95 -17.662 7.866 23.566 741 HE2 HIS 95 HE2 HIS 95 -16.823 6.137 21.905 742 H SER 96 H SER 96 -14.306 12.233 18.675 743 HA SER 96 HA SER 96 -15.909 13.957 17.016 744 HB2 SER 96 HB2 SER 96 -14.232 14.834 18.635 745 HB3 SER 96 HB3 SER 96 -12.928 14.075 17.715 746 HG SER 96 HG SER 96 -13.399 16.372 17.335 747 H LYS 97 H LYS 97 -15.761 14.367 14.924 748 HA LYS 97 HA LYS 97 -14.585 12.447 13.009 749 HB2 LYS 97 HB2 LYS 97 -15.932 15.154 12.638 750 HB3 LYS 97 HB3 LYS 97 -15.407 14.050 11.369 751 HG2 LYS 97 HG2 LYS 97 -16.983 12.322 12.243 752 HG3 LYS 97 HG3 LYS 97 -17.452 13.442 13.502 753 HD2 LYS 97 HD2 LYS 97 -19.106 13.481 11.739 754 HD3 LYS 97 HD3 LYS 97 -18.221 15.021 11.709 755 HE2 LYS 97 HE2 LYS 97 -16.913 14.188 9.792 756 HE3 LYS 97 HE3 LYS 97 -17.737 12.609 9.867 757 HZ1 LYS 97 HZ1 LYS 97 -19.814 13.826 9.451 758 HZ2 LYS 97 HZ2 LYS 97 -18.751 14.069 8.232 759 HZ3 LYS 97 HZ3 LYS 97 -18.999 15.258 9.351 760 H ASN 98 H ASN 98 -13.184 13.342 11.264 761 HA ASN 98 HA ASN 98 -11.229 14.302 10.608 762 HB2 ASN 98 HB2 ASN 98 -11.406 16.338 12.796 763 HB3 ASN 98 HB3 ASN 98 -10.281 16.320 11.487 764 HD21 ASN 98 HD21 ASN 98 -12.763 17.950 12.523 765 HD22 ASN 98 HD22 ASN 98 -13.634 18.288 11.056 766 H VAL 99 H VAL 99 -11.084 12.138 11.458 767 HA VAL 99 HA VAL 99 -8.623 12.080 13.128 768 HB VAL 99 HB VAL 99 -9.102 9.671 13.553 769 HG11 VAL 99 HG11 VAL 99 -11.582 11.236 14.385 770 HG12 VAL 99 HG12 VAL 99 -10.683 9.970 15.222 771 HG13 VAL 99 HG13 VAL 99 -10.002 11.578 15.046 772 HG21 VAL 99 HG21 VAL 99 -11.330 8.721 13.008 773 HG22 VAL 99 HG22 VAL 99 -11.789 10.260 12.175 774 HG23 VAL 99 HG23 VAL 99 -10.481 9.249 11.529 775 H ILE 100 H ILE 100 -7.069 10.445 12.168 776 HA ILE 100 HA ILE 100 -7.443 10.228 9.212 777 HB ILE 100 HB ILE 100 -5.069 10.676 8.894 778 HG12 ILE 100 HG12 ILE 100 -4.941 11.490 11.850 779 HG13 ILE 100 HG13 ILE 100 -4.421 9.885 11.230 780 HG21 ILE 100 HG21 ILE 100 -5.072 13.095 9.265 781 HG22 ILE 100 HG22 ILE 100 -6.724 12.571 8.826 782 HG23 ILE 100 HG23 ILE 100 -6.354 12.941 10.508 783 HD11 ILE 100 HD11 ILE 100 -2.441 11.080 11.429 784 HD12 ILE 100 HD12 ILE 100 -3.199 12.535 10.668 785 HD13 ILE 100 HD13 ILE 100 -2.839 11.101 9.702 786 H ILE 101 H ILE 101 -6.151 8.647 8.235 787 HA ILE 101 HA ILE 101 -6.101 6.147 9.839 788 HB ILE 101 HB ILE 101 -6.047 6.605 6.784 789 HG12 ILE 101 HG12 ILE 101 -8.231 5.483 8.570 790 HG13 ILE 101 HG13 ILE 101 -8.197 7.172 7.988 791 HG21 ILE 101 HG21 ILE 101 -6.165 4.120 8.516 792 HG22 ILE 101 HG22 ILE 101 -6.449 4.110 6.760 793 HG23 ILE 101 HG23 ILE 101 -4.873 4.569 7.446 794 HD11 ILE 101 HD11 ILE 101 -8.504 4.673 6.224 795 HD12 ILE 101 HD12 ILE 101 -8.261 6.316 5.632 796 HD13 ILE 101 HD13 ILE 101 -9.707 5.912 6.574 797 H THR 102 H THR 102 -4.195 5.354 10.533 798 HA THR 102 HA THR 102 -1.769 6.590 9.333 799 HB THR 102 HB THR 102 -0.614 5.730 11.350 800 HG1 THR 102 HG1 THR 102 -1.756 4.593 12.890 801 HG21 THR 102 HG21 THR 102 -3.251 7.021 12.093 802 HG22 THR 102 HG22 THR 102 -1.851 7.884 11.428 803 HG23 THR 102 HG23 THR 102 -1.720 7.078 13.005 804 H GLN 103 H GLN 103 -3.417 3.501 9.345 805 HA GLN 103 HA GLN 103 -1.230 2.562 7.623 806 HB2 GLN 103 HB2 GLN 103 -1.185 0.337 8.448 807 HB3 GLN 103 HB3 GLN 103 -0.957 1.407 9.843 808 HG2 GLN 103 HG2 GLN 103 -3.343 1.145 10.406 809 HG3 GLN 103 HG3 GLN 103 -3.535 0.007 9.091 810 HE21 GLN 103 HE21 GLN 103 -3.892 -1.892 10.041 811 HE22 GLN 103 HE22 GLN 103 -2.846 -2.634 11.226 812 H GLY 104 H GLY 104 -2.151 1.571 5.717 813 HA2 GLY 104 HA2 GLY 104 -3.903 0.670 4.484 814 HA3 GLY 104 HA3 GLY 104 -5.005 0.851 5.859 815 H ASN 105 H ASN 105 -3.353 3.802 5.255 816 HA ASN 105 HA ASN 105 -5.859 4.977 4.410 817 HB2 ASN 105 HB2 ASN 105 -4.687 7.094 4.380 818 HB3 ASN 105 HB3 ASN 105 -4.159 6.203 5.797 819 HD21 ASN 105 HD21 ASN 105 -2.986 8.321 3.879 820 HD22 ASN 105 HD22 ASN 105 -1.362 7.736 3.574 821 H GLU 106 H GLU 106 -2.978 3.765 2.842 822 HA GLU 106 HA GLU 106 -4.229 4.142 0.198 823 HB2 GLU 106 HB2 GLU 106 -1.397 5.032 0.917 824 HB3 GLU 106 HB3 GLU 106 -2.034 4.868 -0.750 825 HG2 GLU 106 HG2 GLU 106 -3.767 6.543 -0.252 826 HG3 GLU 106 HG3 GLU 106 -3.018 6.807 1.356 827 H MET 107 H MET 107 -0.882 3.387 0.299 828 HA MET 107 HA MET 107 -1.360 0.445 0.189 829 HB2 MET 107 HB2 MET 107 -1.350 1.562 -2.106 830 HB3 MET 107 HB3 MET 107 0.247 2.205 -1.658 831 HG2 MET 107 HG2 MET 107 1.169 -0.111 -1.585 832 HG3 MET 107 HG3 MET 107 -0.472 -0.700 -2.102 833 HE1 MET 107 HE1 MET 107 1.878 2.537 -2.891 834 HE2 MET 107 HE2 MET 107 2.722 1.926 -4.341 835 HE3 MET 107 HE3 MET 107 2.943 1.105 -2.780 836 H ARG 108 H ARG 108 0.422 -0.812 0.864 837 HA ARG 108 HA ARG 108 2.998 0.553 1.313 838 HB2 ARG 108 HB2 ARG 108 3.306 -0.349 3.532 839 HB3 ARG 108 HB3 ARG 108 1.913 0.765 3.477 840 HG2 ARG 108 HG2 ARG 108 0.390 -1.080 3.488 841 HG3 ARG 108 HG3 ARG 108 1.732 -2.241 3.567 842 HD2 ARG 108 HD2 ARG 108 2.540 -1.102 5.647 843 HD3 ARG 108 HD3 ARG 108 1.163 0.007 5.548 844 HE ARG 108 HE ARG 108 0.089 -2.637 5.600 845 HH11 ARG 108 HH11 ARG 108 1.969 -0.569 7.771 846 HH12 ARG 108 HH12 ARG 108 1.337 -1.339 9.192 847 HH21 ARG 108 HH21 ARG 108 -0.624 -3.619 7.465 848 HH22 ARG 108 HH22 ARG 108 -0.073 -3.011 9.026 849 H LEU 109 H LEU 109 4.803 -0.995 1.372 850 HA LEU 109 HA LEU 109 4.129 -3.468 -0.201 851 HB2 LEU 109 HB2 LEU 109 6.703 -2.126 0.778 852 HB3 LEU 109 HB3 LEU 109 6.741 -3.711 0.021 853 HG LEU 109 HG LEU 109 5.694 -1.199 -1.429 854 HD11 LEU 109 HD11 LEU 109 8.059 -1.014 -0.834 855 HD12 LEU 109 HD12 LEU 109 7.887 -1.302 -2.588 856 HD13 LEU 109 HD13 LEU 109 8.391 -2.610 -1.480 857 HD21 LEU 109 HD21 LEU 109 6.147 -2.774 -3.384 858 HD22 LEU 109 HD22 LEU 109 6.418 -4.083 -2.215 859 HD23 LEU 109 HD23 LEU 109 4.835 -3.320 -2.306 860 H LEU 110 H LEU 110 4.085 -5.464 0.711 861 HA LEU 110 HA LEU 110 4.730 -5.535 3.625 862 HB2 LEU 110 HB2 LEU 110 3.081 -7.505 2.025 863 HB3 LEU 110 HB3 LEU 110 3.374 -7.552 3.748 864 HG LEU 110 HG LEU 110 1.910 -5.354 2.284 865 HD11 LEU 110 HD11 LEU 110 -0.099 -6.330 3.283 866 HD12 LEU 110 HD12 LEU 110 0.906 -7.626 4.012 867 HD13 LEU 110 HD13 LEU 110 0.698 -7.493 2.225 868 HD21 LEU 110 HD21 LEU 110 1.108 -4.627 4.540 869 HD22 LEU 110 HD22 LEU 110 2.847 -4.422 4.294 870 HD23 LEU 110 HD23 LEU 110 2.292 -5.810 5.251 871 H SER 111 H SER 111 5.263 -7.473 0.591 872 HA SER 111 HA SER 111 7.898 -8.312 1.710 873 HB2 SER 111 HB2 SER 111 5.720 -10.321 0.860 874 HB3 SER 111 HB3 SER 111 7.421 -10.693 1.274 875 HG SER 111 HG SER 111 6.340 -9.149 3.212 876 H LEU 112 H LEU 112 9.280 -9.087 -0.073 877 HA LEU 112 HA LEU 112 8.068 -8.965 -2.800 878 HB2 LEU 112 HB2 LEU 112 10.710 -7.721 -1.935 879 HB3 LEU 112 HB3 LEU 112 10.169 -7.950 -3.571 880 HG LEU 112 HG LEU 112 8.347 -6.287 -3.280 881 HD11 LEU 112 HD11 LEU 112 8.825 -4.653 -1.269 882 HD12 LEU 112 HD12 LEU 112 9.511 -6.107 -0.499 883 HD13 LEU 112 HD13 LEU 112 7.818 -6.092 -0.995 884 HD21 LEU 112 HD21 LEU 112 9.862 -4.386 -3.456 885 HD22 LEU 112 HD22 LEU 112 10.687 -5.819 -4.180 886 HD23 LEU 112 HD23 LEU 112 11.142 -5.255 -2.558 887 H GLU 113 H GLU 113 8.927 -10.521 -4.260 888 HA GLU 113 HA GLU 113 11.021 -12.345 -3.121 889 HB2 GLU 113 HB2 GLU 113 8.951 -13.436 -3.976 890 HB3 GLU 113 HB3 GLU 113 9.260 -12.744 -5.573 891 HG2 GLU 113 HG2 GLU 113 10.088 -14.947 -5.687 892 HG3 GLU 113 HG3 GLU 113 11.480 -13.878 -5.574 893 H MET 114 H MET 114 13.041 -11.981 -3.938 894 HA MET 114 HA MET 114 13.241 -10.255 -6.352 895 HB2 MET 114 HB2 MET 114 14.712 -9.988 -3.697 896 HB3 MET 114 HB3 MET 114 14.938 -8.938 -5.099 897 HG2 MET 114 HG2 MET 114 12.531 -8.213 -4.900 898 HG3 MET 114 HG3 MET 114 12.381 -9.293 -3.517 899 HE1 MET 114 HE1 MET 114 14.844 -6.539 -4.648 900 HE2 MET 114 HE2 MET 114 13.214 -5.900 -4.725 901 HE3 MET 114 HE3 MET 114 14.382 -5.251 -3.527 902 H LEU 115 H LEU 115 15.165 -10.495 -7.587 903 HA LEU 115 HA LEU 115 16.754 -12.918 -6.924 904 HB2 LEU 115 HB2 LEU 115 16.358 -11.477 -9.585 905 HB3 LEU 115 HB3 LEU 115 17.361 -12.897 -9.356 906 HG LEU 115 HG LEU 115 14.360 -12.835 -9.028 907 HD11 LEU 115 HD11 LEU 115 14.309 -14.057 -11.143 908 HD12 LEU 115 HD12 LEU 115 16.079 -13.880 -11.284 909 HD13 LEU 115 HD13 LEU 115 15.008 -12.461 -11.367 910 HD21 LEU 115 HD21 LEU 115 15.369 -14.593 -7.712 911 HD22 LEU 115 HD22 LEU 115 16.303 -15.131 -9.129 912 HD23 LEU 115 HD23 LEU 115 14.524 -15.289 -9.074 913 H ALA 116 H ALA 116 18.756 -12.684 -6.288 914 HA ALA 116 HA ALA 116 19.886 -10.082 -5.821 915 HB1 ALA 116 HB1 ALA 116 20.562 -12.015 -4.473 916 HB2 ALA 116 HB2 ALA 116 22.006 -11.379 -5.337 917 HB3 ALA 116 HB3 ALA 116 21.161 -12.835 -5.954 918 H GLU 117 H GLU 117 21.862 -9.190 -6.788 919 HA GLU 117 HA GLU 117 21.791 -9.026 -9.658 920 HB2 GLU 117 HB2 GLU 117 23.752 -7.692 -9.474 921 HB3 GLU 117 HB3 GLU 117 22.682 -7.266 -8.129 922 HG2 GLU 117 HG2 GLU 117 24.105 -8.640 -6.642 923 HG3 GLU 117 HG3 GLU 117 25.152 -9.049 -8.012 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -3.706 10.575 -5.092 2 H2 MET 1 H2 MET 1 -3.128 9.119 -4.559 3 H3 MET 1 H3 MET 1 -3.590 10.259 -3.495 4 HA MET 1 HA MET 1 -5.219 8.591 -3.568 5 HB2 MET 1 HB2 MET 1 -5.966 10.933 -3.300 6 HB3 MET 1 HB3 MET 1 -6.172 11.059 -5.053 7 HG2 MET 1 HG2 MET 1 -7.826 9.255 -5.029 8 HG3 MET 1 HG3 MET 1 -7.631 9.141 -3.276 9 HE1 MET 1 HE1 MET 1 -9.054 12.659 -2.119 10 HE2 MET 1 HE2 MET 1 -7.573 11.702 -1.985 11 HE3 MET 1 HE3 MET 1 -9.131 10.978 -1.526 12 H HIS 2 H HIS 2 -4.462 9.957 -6.829 13 HA HIS 2 HA HIS 2 -6.325 8.225 -8.226 14 HB2 HIS 2 HB2 HIS 2 -3.782 9.672 -9.140 15 HB3 HIS 2 HB3 HIS 2 -4.922 8.901 -10.224 16 HD1 HIS 2 HD1 HIS 2 -4.436 11.807 -10.672 17 HD2 HIS 2 HD2 HIS 2 -7.456 10.381 -8.083 18 HE1 HIS 2 HE1 HIS 2 -6.223 13.681 -10.414 19 HE2 HIS 2 HE2 HIS 2 -8.002 12.731 -8.882 20 H GLU 3 H GLU 3 -6.016 6.164 -9.196 21 HA GLU 3 HA GLU 3 -4.144 4.500 -7.768 22 HB2 GLU 3 HB2 GLU 3 -5.670 3.855 -10.319 23 HB3 GLU 3 HB3 GLU 3 -4.804 2.690 -9.330 24 HG2 GLU 3 HG2 GLU 3 -7.062 2.389 -8.674 25 HG3 GLU 3 HG3 GLU 3 -6.436 3.421 -7.396 26 H TYR 4 H TYR 4 -4.057 5.882 -11.072 27 HA TYR 4 HA TYR 4 -1.672 4.370 -11.817 28 HB2 TYR 4 HB2 TYR 4 -3.052 6.868 -12.902 29 HB3 TYR 4 HB3 TYR 4 -1.537 6.208 -13.625 30 HD1 TYR 4 HD1 TYR 4 -1.551 4.374 -15.076 31 HD2 TYR 4 HD2 TYR 4 -5.159 5.292 -12.930 32 HE1 TYR 4 HE1 TYR 4 -2.776 2.687 -16.387 33 HE2 TYR 4 HE2 TYR 4 -6.392 3.601 -14.257 34 HH TYR 4 HH TYR 4 -4.818 1.641 -16.776 35 H SER 5 H SER 5 -2.262 7.413 -10.014 36 HA SER 5 HA SER 5 0.494 8.269 -10.314 37 HB2 SER 5 HB2 SER 5 -1.386 9.834 -9.782 38 HB3 SER 5 HB3 SER 5 -1.588 9.006 -8.198 39 HG SER 5 HG SER 5 0.554 10.583 -9.166 40 H VAL 6 H VAL 6 -1.287 6.346 -7.920 41 HA VAL 6 HA VAL 6 0.944 6.170 -6.098 42 HB VAL 6 HB VAL 6 -1.460 4.337 -6.411 43 HG11 VAL 6 HG11 VAL 6 0.686 4.563 -4.237 44 HG12 VAL 6 HG12 VAL 6 -0.885 3.785 -3.943 45 HG13 VAL 6 HG13 VAL 6 0.153 3.102 -5.156 46 HG21 VAL 6 HG21 VAL 6 -2.467 5.625 -4.561 47 HG22 VAL 6 HG22 VAL 6 -0.962 6.572 -4.332 48 HG23 VAL 6 HG23 VAL 6 -1.983 6.760 -5.806 49 H VAL 7 H VAL 7 -0.275 4.084 -8.740 50 HA VAL 7 HA VAL 7 1.667 2.012 -8.255 51 HB VAL 7 HB VAL 7 0.071 2.665 -10.750 52 HG11 VAL 7 HG11 VAL 7 1.666 0.176 -9.996 53 HG12 VAL 7 HG12 VAL 7 0.593 0.375 -11.403 54 HG13 VAL 7 HG13 VAL 7 2.031 1.341 -11.306 55 HG21 VAL 7 HG21 VAL 7 -0.306 0.522 -8.585 56 HG22 VAL 7 HG22 VAL 7 -1.307 1.999 -8.706 57 HG23 VAL 7 HG23 VAL 7 -1.352 0.793 -9.968 58 H SER 8 H SER 8 1.686 5.016 -10.256 59 HA SER 8 HA SER 8 4.192 4.365 -11.524 60 HB2 SER 8 HB2 SER 8 2.765 6.273 -12.248 61 HB3 SER 8 HB3 SER 8 3.101 7.084 -10.708 62 HG SER 8 HG SER 8 4.428 7.733 -12.545 63 H SER 9 H SER 9 3.431 5.836 -8.298 64 HA SER 9 HA SER 9 6.278 6.174 -7.769 65 HB2 SER 9 HB2 SER 9 5.624 6.803 -5.534 66 HB3 SER 9 HB3 SER 9 4.516 7.574 -6.704 67 HG SER 9 HG SER 9 3.249 5.474 -6.218 68 H LEU 10 H LEU 10 4.034 3.582 -7.481 69 HA LEU 10 HA LEU 10 5.354 2.045 -5.476 70 HB2 LEU 10 HB2 LEU 10 3.012 1.488 -6.334 71 HB3 LEU 10 HB3 LEU 10 3.711 1.094 -7.898 72 HG LEU 10 HG LEU 10 4.964 -0.766 -7.037 73 HD11 LEU 10 HD11 LEU 10 3.551 -0.318 -4.433 74 HD12 LEU 10 HD12 LEU 10 4.450 -1.799 -4.886 75 HD13 LEU 10 HD13 LEU 10 5.307 -0.219 -4.702 76 HD21 LEU 10 HD21 LEU 10 2.733 -1.087 -7.967 77 HD22 LEU 10 HD22 LEU 10 2.024 -0.800 -6.335 78 HD23 LEU 10 HD23 LEU 10 3.024 -2.230 -6.690 79 H ILE 11 H ILE 11 5.693 2.227 -9.042 80 HA ILE 11 HA ILE 11 7.495 -0.012 -9.156 81 HB ILE 11 HB ILE 11 7.308 2.404 -11.033 82 HG12 ILE 11 HG12 ILE 11 5.192 1.247 -10.865 83 HG13 ILE 11 HG13 ILE 11 5.914 0.938 -12.412 84 HG21 ILE 11 HG21 ILE 11 8.743 -0.268 -11.263 85 HG22 ILE 11 HG22 ILE 11 8.311 0.677 -12.709 86 HG23 ILE 11 HG23 ILE 11 9.421 1.370 -11.489 87 HD11 ILE 11 HD11 ILE 11 4.820 -1.083 -11.598 88 HD12 ILE 11 HD12 ILE 11 5.666 -0.999 -10.052 89 HD13 ILE 11 HD13 ILE 11 6.611 -1.337 -11.547 90 H ALA 12 H ALA 12 8.040 3.525 -8.714 91 HA ALA 12 HA ALA 12 10.914 3.220 -8.739 92 HB1 ALA 12 HB1 ALA 12 9.903 5.413 -9.159 93 HB2 ALA 12 HB2 ALA 12 9.045 5.389 -7.608 94 HB3 ALA 12 HB3 ALA 12 10.830 5.537 -7.621 95 H LEU 13 H LEU 13 8.386 2.971 -6.230 96 HA LEU 13 HA LEU 13 10.191 2.992 -3.974 97 HB2 LEU 13 HB2 LEU 13 7.710 3.261 -3.914 98 HB3 LEU 13 HB3 LEU 13 7.548 1.555 -4.344 99 HG LEU 13 HG LEU 13 8.601 0.935 -2.144 100 HD11 LEU 13 HD11 LEU 13 8.491 3.959 -1.694 101 HD12 LEU 13 HD12 LEU 13 9.914 2.897 -1.627 102 HD13 LEU 13 HD13 LEU 13 8.618 2.755 -0.383 103 HD21 LEU 13 HD21 LEU 13 6.579 1.636 -0.779 104 HD22 LEU 13 HD22 LEU 13 6.112 1.149 -2.437 105 HD23 LEU 13 HD23 LEU 13 6.168 2.855 -2.011 106 H CYS 14 H CYS 14 8.944 0.515 -6.174 107 HA CYS 14 HA CYS 14 10.080 -1.734 -4.761 108 HB2 CYS 14 HB2 CYS 14 9.226 -1.339 -7.690 109 HB3 CYS 14 HB3 CYS 14 9.723 -2.870 -6.976 110 HG CYS 14 HG CYS 14 7.162 -0.918 -6.320 111 H GLU 15 H GLU 15 11.205 0.390 -7.475 112 HA GLU 15 HA GLU 15 13.603 -1.113 -7.817 113 HB2 GLU 15 HB2 GLU 15 12.937 1.756 -8.462 114 HB3 GLU 15 HB3 GLU 15 14.437 1.000 -8.911 115 HG2 GLU 15 HG2 GLU 15 13.217 -0.693 -10.270 116 HG3 GLU 15 HG3 GLU 15 11.695 0.058 -9.878 117 H GLU 16 H GLU 16 12.825 1.658 -5.586 118 HA GLU 16 HA GLU 16 15.645 1.887 -4.911 119 HB2 GLU 16 HB2 GLU 16 15.129 3.281 -3.115 120 HB3 GLU 16 HB3 GLU 16 14.128 3.782 -4.475 121 HG2 GLU 16 HG2 GLU 16 12.231 2.595 -3.462 122 HG3 GLU 16 HG3 GLU 16 13.229 2.142 -2.069 123 H HIS 17 H HIS 17 13.015 -0.129 -3.715 124 HA HIS 17 HA HIS 17 14.543 -1.154 -1.465 125 HB2 HIS 17 HB2 HIS 17 12.226 -2.378 -3.013 126 HB3 HIS 17 HB3 HIS 17 13.049 -3.166 -1.657 127 HD1 HIS 17 HD1 HIS 17 13.006 -1.971 0.711 128 HD2 HIS 17 HD2 HIS 17 10.228 -0.563 -2.094 129 HE1 HIS 17 HE1 HIS 17 11.175 -0.721 2.000 130 HE2 HIS 17 HE2 HIS 17 9.521 0.123 0.282 131 H ALA 18 H ALA 18 14.350 -1.831 -4.933 132 HA ALA 18 HA ALA 18 15.845 -4.257 -4.798 133 HB1 ALA 18 HB1 ALA 18 15.766 -2.246 -7.087 134 HB2 ALA 18 HB2 ALA 18 14.584 -3.580 -6.833 135 HB3 ALA 18 HB3 ALA 18 16.291 -3.918 -7.198 136 H LYS 19 H LYS 19 16.802 -0.784 -4.914 137 HA LYS 19 HA LYS 19 19.606 -1.275 -5.243 138 HB2 LYS 19 HB2 LYS 19 18.158 0.983 -3.810 139 HB3 LYS 19 HB3 LYS 19 19.861 0.999 -4.246 140 HG2 LYS 19 HG2 LYS 19 19.236 0.977 -6.630 141 HG3 LYS 19 HG3 LYS 19 17.517 0.879 -6.173 142 HD2 LYS 19 HD2 LYS 19 17.726 3.017 -4.923 143 HD3 LYS 19 HD3 LYS 19 19.418 3.117 -5.474 144 HE2 LYS 19 HE2 LYS 19 18.610 3.153 -7.832 145 HE3 LYS 19 HE3 LYS 19 16.953 3.022 -7.186 146 HZ1 LYS 19 HZ1 LYS 19 17.354 5.306 -7.570 147 HZ2 LYS 19 HZ2 LYS 19 18.844 5.283 -6.808 148 HZ3 LYS 19 HZ3 LYS 19 17.425 5.100 -5.919 149 H LYS 20 H LYS 20 17.475 -1.072 -2.461 150 HA LYS 20 HA LYS 20 19.578 -1.040 -0.483 151 HB2 LYS 20 HB2 LYS 20 16.660 -1.655 -0.276 152 HB3 LYS 20 HB3 LYS 20 17.756 -1.427 1.134 153 HG2 LYS 20 HG2 LYS 20 18.180 0.889 0.457 154 HG3 LYS 20 HG3 LYS 20 17.122 0.721 -0.928 155 HD2 LYS 20 HD2 LYS 20 15.198 0.190 0.570 156 HD3 LYS 20 HD3 LYS 20 16.266 0.504 1.963 157 HE2 LYS 20 HE2 LYS 20 16.728 2.764 1.127 158 HE3 LYS 20 HE3 LYS 20 15.555 2.533 -0.170 159 HZ1 LYS 20 HZ1 LYS 20 14.606 3.615 1.789 160 HZ2 LYS 20 HZ2 LYS 20 14.910 2.287 2.713 161 HZ3 LYS 20 HZ3 LYS 20 13.859 2.194 1.445 162 H ASN 21 H ASN 21 17.831 -3.512 -2.187 163 HA ASN 21 HA ASN 21 18.810 -5.570 -0.281 164 HB2 ASN 21 HB2 ASN 21 16.416 -5.377 -1.123 165 HB3 ASN 21 HB3 ASN 21 16.986 -5.907 -2.699 166 HD21 ASN 21 HD21 ASN 21 16.028 -6.828 0.403 167 HD22 ASN 21 HD22 ASN 21 16.359 -8.548 0.275 168 H GLN 22 H GLN 22 19.777 -3.990 -2.988 169 HA GLN 22 HA GLN 22 21.195 -4.320 -4.749 170 HB2 GLN 22 HB2 GLN 22 22.351 -6.448 -2.970 171 HB3 GLN 22 HB3 GLN 22 23.118 -5.828 -4.427 172 HG2 GLN 22 HG2 GLN 22 23.131 -3.591 -3.423 173 HG3 GLN 22 HG3 GLN 22 22.548 -4.305 -1.906 174 HE21 GLN 22 HE21 GLN 22 25.207 -3.122 -3.180 175 HE22 GLN 22 HE22 GLN 22 26.428 -4.226 -2.599 176 H ALA 23 H ALA 23 18.750 -5.412 -4.841 177 HA ALA 23 HA ALA 23 18.959 -8.147 -5.944 178 HB1 ALA 23 HB1 ALA 23 16.586 -6.254 -5.551 179 HB2 ALA 23 HB2 ALA 23 17.058 -7.542 -4.420 180 HB3 ALA 23 HB3 ALA 23 16.495 -7.933 -6.065 181 H HIS 24 H HIS 24 18.711 -8.517 -8.199 182 HA HIS 24 HA HIS 24 18.783 -6.035 -9.832 183 HB2 HIS 24 HB2 HIS 24 19.719 -7.294 -11.566 184 HB3 HIS 24 HB3 HIS 24 20.531 -7.786 -10.103 185 HD1 HIS 24 HD1 HIS 24 18.762 -9.017 -13.012 186 HD2 HIS 24 HD2 HIS 24 19.446 -10.407 -9.159 187 HE1 HIS 24 HE1 HIS 24 18.224 -11.514 -13.046 188 HE2 HIS 24 HE2 HIS 24 18.820 -12.384 -10.737 189 H LYS 25 H LYS 25 16.606 -8.533 -8.927 190 HA LYS 25 HA LYS 25 14.673 -7.601 -10.977 191 HB2 LYS 25 HB2 LYS 25 16.223 -9.525 -11.766 192 HB3 LYS 25 HB3 LYS 25 15.392 -10.558 -10.686 193 HG2 LYS 25 HG2 LYS 25 14.238 -9.052 -13.068 194 HG3 LYS 25 HG3 LYS 25 14.729 -10.745 -13.013 195 HD2 LYS 25 HD2 LYS 25 13.034 -11.197 -11.317 196 HD3 LYS 25 HD3 LYS 25 12.409 -9.511 -11.517 197 HE2 LYS 25 HE2 LYS 25 12.647 -11.658 -13.633 198 HE3 LYS 25 HE3 LYS 25 11.149 -11.162 -12.868 199 HZ1 LYS 25 HZ1 LYS 25 11.567 -8.940 -13.790 200 HZ2 LYS 25 HZ2 LYS 25 11.469 -10.079 -14.989 201 HZ3 LYS 25 HZ3 LYS 25 12.926 -9.484 -14.544 202 H ILE 26 H ILE 26 12.503 -7.696 -10.141 203 HA ILE 26 HA ILE 26 12.249 -9.042 -7.476 204 HB ILE 26 HB ILE 26 10.537 -6.847 -8.804 205 HG12 ILE 26 HG12 ILE 26 12.469 -6.618 -6.435 206 HG13 ILE 26 HG13 ILE 26 12.891 -6.168 -8.096 207 HG21 ILE 26 HG21 ILE 26 9.258 -8.271 -7.247 208 HG22 ILE 26 HG22 ILE 26 10.416 -8.030 -5.961 209 HG23 ILE 26 HG23 ILE 26 9.481 -6.665 -6.536 210 HD11 ILE 26 HD11 ILE 26 12.335 -4.187 -6.967 211 HD12 ILE 26 HD12 ILE 26 10.768 -4.876 -6.368 212 HD13 ILE 26 HD13 ILE 26 11.036 -4.551 -8.102 213 H GLU 27 H GLU 27 11.122 -10.890 -7.433 214 HA GLU 27 HA GLU 27 9.685 -11.793 -9.867 215 HB2 GLU 27 HB2 GLU 27 10.337 -13.105 -7.198 216 HB3 GLU 27 HB3 GLU 27 9.481 -13.967 -8.464 217 HG2 GLU 27 HG2 GLU 27 12.190 -12.866 -8.811 218 HG3 GLU 27 HG3 GLU 27 11.825 -14.541 -8.376 219 H ARG 28 H ARG 28 8.844 -10.780 -6.541 220 HA ARG 28 HA ARG 28 6.001 -10.858 -7.366 221 HB2 ARG 28 HB2 ARG 28 6.450 -13.106 -6.337 222 HB3 ARG 28 HB3 ARG 28 7.047 -12.277 -4.877 223 HG2 ARG 28 HG2 ARG 28 4.769 -11.347 -4.479 224 HG3 ARG 28 HG3 ARG 28 4.193 -12.194 -5.940 225 HD2 ARG 28 HD2 ARG 28 5.255 -13.551 -3.444 226 HD3 ARG 28 HD3 ARG 28 3.623 -13.404 -3.960 227 HE ARG 28 HE ARG 28 3.916 -14.983 -5.635 228 HH11 ARG 28 HH11 ARG 28 6.830 -14.611 -3.708 229 HH12 ARG 28 HH12 ARG 28 7.558 -16.049 -4.400 230 HH21 ARG 28 HH21 ARG 28 4.927 -16.742 -6.496 231 HH22 ARG 28 HH22 ARG 28 6.517 -17.200 -5.912 232 H VAL 29 H VAL 29 4.836 -9.268 -6.460 233 HA VAL 29 HA VAL 29 6.004 -7.795 -4.148 234 HB VAL 29 HB VAL 29 4.546 -6.581 -6.540 235 HG11 VAL 29 HG11 VAL 29 3.975 -5.539 -4.364 236 HG12 VAL 29 HG12 VAL 29 5.692 -5.261 -4.071 237 HG13 VAL 29 HG13 VAL 29 4.855 -4.474 -5.431 238 HG21 VAL 29 HG21 VAL 29 7.433 -6.446 -5.542 239 HG22 VAL 29 HG22 VAL 29 6.723 -5.282 -6.748 240 HG23 VAL 29 HG23 VAL 29 6.826 -7.036 -7.131 241 H VAL 30 H VAL 30 4.529 -7.976 -2.432 242 HA VAL 30 HA VAL 30 1.704 -8.371 -3.318 243 HB VAL 30 HB VAL 30 1.207 -9.556 -1.227 244 HG11 VAL 30 HG11 VAL 30 2.059 -10.757 -3.338 245 HG12 VAL 30 HG12 VAL 30 3.604 -10.898 -2.476 246 HG13 VAL 30 HG13 VAL 30 2.116 -11.636 -1.833 247 HG21 VAL 30 HG21 VAL 30 4.206 -9.373 -0.686 248 HG22 VAL 30 HG22 VAL 30 3.025 -10.424 0.181 249 HG23 VAL 30 HG23 VAL 30 2.862 -8.680 0.274 250 H VAL 31 H VAL 31 0.261 -6.943 -2.567 251 HA VAL 31 HA VAL 31 1.370 -4.815 -0.779 252 HB VAL 31 HB VAL 31 0.069 -3.128 -2.017 253 HG11 VAL 31 HG11 VAL 31 2.409 -3.598 -2.592 254 HG12 VAL 31 HG12 VAL 31 1.468 -2.996 -3.994 255 HG13 VAL 31 HG13 VAL 31 1.872 -4.735 -3.851 256 HG21 VAL 31 HG21 VAL 31 -0.634 -5.413 -3.889 257 HG22 VAL 31 HG22 VAL 31 -0.865 -3.749 -4.275 258 HG23 VAL 31 HG23 VAL 31 -1.720 -4.481 -2.941 259 H GLY 32 H GLY 32 -0.325 -3.547 0.358 260 HA2 GLY 32 HA2 GLY 32 -2.779 -5.190 0.691 261 HA3 GLY 32 HA3 GLY 32 -2.011 -4.272 2.048 262 H ILE 33 H ILE 33 -4.686 -4.028 0.413 263 HA ILE 33 HA ILE 33 -4.464 -1.064 0.016 264 HB ILE 33 HB ILE 33 -6.040 -3.016 -1.748 265 HG12 ILE 33 HG12 ILE 33 -3.830 -0.977 -2.444 266 HG13 ILE 33 HG13 ILE 33 -3.581 -2.705 -2.343 267 HG21 ILE 33 HG21 ILE 33 -7.353 -0.911 -1.175 268 HG22 ILE 33 HG22 ILE 33 -6.918 -0.997 -2.908 269 HG23 ILE 33 HG23 ILE 33 -6.015 0.035 -1.792 270 HD11 ILE 33 HD11 ILE 33 -5.450 -2.871 -4.135 271 HD12 ILE 33 HD12 ILE 33 -3.796 -2.351 -4.619 272 HD13 ILE 33 HD13 ILE 33 -5.074 -1.146 -4.392 273 H GLY 34 H GLY 34 -5.880 -0.213 1.501 274 HA2 GLY 34 HA2 GLY 34 -7.225 -2.121 3.188 275 HA3 GLY 34 HA3 GLY 34 -7.238 -0.375 3.417 276 H GLU 35 H GLU 35 -9.282 -1.837 4.092 277 HA GLU 35 HA GLU 35 -11.343 -2.220 2.144 278 HB2 GLU 35 HB2 GLU 35 -12.742 -2.720 4.033 279 HB3 GLU 35 HB3 GLU 35 -11.132 -3.367 4.310 280 HG2 GLU 35 HG2 GLU 35 -10.602 -1.497 5.732 281 HG3 GLU 35 HG3 GLU 35 -12.251 -0.922 5.514 282 H ARG 36 H ARG 36 -10.211 0.603 3.695 283 HA ARG 36 HA ARG 36 -12.675 2.074 2.801 284 HB2 ARG 36 HB2 ARG 36 -10.723 2.885 4.927 285 HB3 ARG 36 HB3 ARG 36 -12.098 3.836 4.444 286 HG2 ARG 36 HG2 ARG 36 -13.612 2.035 5.156 287 HG3 ARG 36 HG3 ARG 36 -12.228 1.125 5.714 288 HD2 ARG 36 HD2 ARG 36 -11.709 2.987 7.321 289 HD3 ARG 36 HD3 ARG 36 -13.152 3.837 6.701 290 HE ARG 36 HE ARG 36 -13.049 1.582 8.558 291 HH11 ARG 36 HH11 ARG 36 -14.926 0.814 9.426 292 HH12 ARG 36 HH12 ARG 36 -16.473 1.323 8.834 293 HH21 ARG 36 HH21 ARG 36 -15.129 3.412 6.404 294 HH22 ARG 36 HH22 ARG 36 -16.583 2.773 7.141 295 H SER 37 H SER 37 -10.281 1.271 1.284 296 HA SER 37 HA SER 37 -8.609 3.568 1.022 297 HB2 SER 37 HB2 SER 37 -7.634 2.484 -0.901 298 HB3 SER 37 HB3 SER 37 -7.828 1.307 0.445 299 HG SER 37 HG SER 37 -9.527 0.413 -0.598 300 H ALA 38 H ALA 38 -8.323 5.010 -0.664 301 HA ALA 38 HA ALA 38 -10.832 5.803 -2.035 302 HB1 ALA 38 HB1 ALA 38 -9.468 7.809 -2.584 303 HB2 ALA 38 HB2 ALA 38 -8.019 7.039 -1.992 304 HB3 ALA 38 HB3 ALA 38 -9.309 7.473 -0.836 305 H MET 39 H MET 39 -8.971 3.337 -2.729 306 HA MET 39 HA MET 39 -8.369 4.045 -5.528 307 HB2 MET 39 HB2 MET 39 -7.028 2.107 -3.656 308 HB3 MET 39 HB3 MET 39 -6.602 2.358 -5.356 309 HG2 MET 39 HG2 MET 39 -6.005 4.629 -4.897 310 HG3 MET 39 HG3 MET 39 -6.521 4.446 -3.206 311 HE1 MET 39 HE1 MET 39 -2.766 2.546 -5.039 312 HE2 MET 39 HE2 MET 39 -3.800 3.764 -5.837 313 HE3 MET 39 HE3 MET 39 -4.340 2.085 -5.607 314 H ASP 40 H ASP 40 -9.236 2.848 -7.144 315 HA ASP 40 HA ASP 40 -11.002 0.565 -6.485 316 HB2 ASP 40 HB2 ASP 40 -10.083 1.802 -9.118 317 HB3 ASP 40 HB3 ASP 40 -11.111 0.375 -9.034 318 H LYS 41 H LYS 41 -10.382 -1.605 -6.577 319 HA LYS 41 HA LYS 41 -7.592 -2.267 -6.794 320 HB2 LYS 41 HB2 LYS 41 -10.065 -3.950 -6.720 321 HB3 LYS 41 HB3 LYS 41 -8.443 -4.574 -6.682 322 HG2 LYS 41 HG2 LYS 41 -7.993 -3.424 -4.588 323 HG3 LYS 41 HG3 LYS 41 -9.550 -2.634 -4.666 324 HD2 LYS 41 HD2 LYS 41 -9.724 -4.391 -3.081 325 HD3 LYS 41 HD3 LYS 41 -10.673 -4.799 -4.491 326 HE2 LYS 41 HE2 LYS 41 -8.930 -6.342 -5.218 327 HE3 LYS 41 HE3 LYS 41 -7.985 -5.950 -3.774 328 HZ1 LYS 41 HZ1 LYS 41 -9.730 -6.820 -2.384 329 HZ2 LYS 41 HZ2 LYS 41 -9.472 -7.956 -3.575 330 HZ3 LYS 41 HZ3 LYS 41 -10.767 -6.937 -3.677 331 H SER 42 H SER 42 -10.347 -2.266 -9.043 332 HA SER 42 HA SER 42 -9.040 -4.081 -10.879 333 HB2 SER 42 HB2 SER 42 -11.545 -3.709 -10.880 334 HB3 SER 42 HB3 SER 42 -11.305 -2.049 -11.390 335 HG SER 42 HG SER 42 -11.700 -3.655 -13.118 336 H LEU 43 H LEU 43 -9.195 -0.536 -10.445 337 HA LEU 43 HA LEU 43 -7.766 -0.081 -12.896 338 HB2 LEU 43 HB2 LEU 43 -8.139 1.735 -10.556 339 HB3 LEU 43 HB3 LEU 43 -7.462 2.183 -12.112 340 HG LEU 43 HG LEU 43 -10.307 1.195 -11.681 341 HD11 LEU 43 HD11 LEU 43 -9.733 3.471 -10.725 342 HD12 LEU 43 HD12 LEU 43 -10.986 3.502 -11.956 343 HD13 LEU 43 HD13 LEU 43 -9.322 3.989 -12.372 344 HD21 LEU 43 HD21 LEU 43 -8.841 2.226 -14.134 345 HD22 LEU 43 HD22 LEU 43 -10.614 2.120 -14.040 346 HD23 LEU 43 HD23 LEU 43 -9.623 0.661 -13.872 347 H PHE 44 H PHE 44 -7.005 -0.776 -9.572 348 HA PHE 44 HA PHE 44 -4.318 0.214 -9.685 349 HB2 PHE 44 HB2 PHE 44 -5.534 -0.357 -7.545 350 HB3 PHE 44 HB3 PHE 44 -5.442 -2.073 -7.985 351 HD1 PHE 44 HD1 PHE 44 -3.420 0.839 -7.080 352 HD2 PHE 44 HD2 PHE 44 -3.513 -3.377 -7.727 353 HE1 PHE 44 HE1 PHE 44 -1.181 0.597 -5.971 354 HE2 PHE 44 HE2 PHE 44 -1.272 -3.583 -6.607 355 HZ PHE 44 HZ PHE 44 -0.155 -1.636 -5.736 356 H VAL 45 H VAL 45 -5.724 -3.068 -10.249 357 HA VAL 45 HA VAL 45 -3.114 -4.056 -10.909 358 HB VAL 45 HB VAL 45 -4.214 -6.103 -11.748 359 HG11 VAL 45 HG11 VAL 45 -5.386 -6.753 -9.657 360 HG12 VAL 45 HG12 VAL 45 -3.902 -5.856 -9.328 361 HG13 VAL 45 HG13 VAL 45 -5.484 -5.040 -9.181 362 HG21 VAL 45 HG21 VAL 45 -6.848 -4.685 -11.261 363 HG22 VAL 45 HG22 VAL 45 -6.612 -6.368 -11.771 364 HG23 VAL 45 HG23 VAL 45 -6.170 -5.071 -12.846 365 H SER 46 H SER 46 -5.550 -2.379 -12.789 366 HA SER 46 HA SER 46 -4.483 -3.233 -15.369 367 HB2 SER 46 HB2 SER 46 -6.761 -2.210 -15.073 368 HB3 SER 46 HB3 SER 46 -6.015 -0.672 -14.604 369 HG SER 46 HG SER 46 -6.617 -0.841 -16.859 370 H ALA 47 H ALA 47 -3.986 -0.523 -13.066 371 HA ALA 47 HA ALA 47 -2.111 0.836 -14.747 372 HB1 ALA 47 HB1 ALA 47 -3.291 1.961 -12.931 373 HB2 ALA 47 HB2 ALA 47 -1.513 2.057 -12.633 374 HB3 ALA 47 HB3 ALA 47 -2.535 0.917 -11.743 375 H PHE 48 H PHE 48 -1.774 -1.793 -12.283 376 HA PHE 48 HA PHE 48 1.083 -1.507 -12.208 377 HB2 PHE 48 HB2 PHE 48 -0.258 -2.783 -10.525 378 HB3 PHE 48 HB3 PHE 48 -0.500 -4.058 -11.723 379 HD1 PHE 48 HD1 PHE 48 1.901 -2.384 -9.490 380 HD2 PHE 48 HD2 PHE 48 1.393 -5.570 -12.349 381 HE1 PHE 48 HE1 PHE 48 4.031 -3.411 -8.726 382 HE2 PHE 48 HE2 PHE 48 3.583 -6.570 -11.614 383 HZ PHE 48 HZ PHE 48 4.887 -5.480 -9.834 384 H GLU 49 H GLU 49 -1.141 -3.368 -14.276 385 HA GLU 49 HA GLU 49 1.009 -4.734 -15.639 386 HB2 GLU 49 HB2 GLU 49 -1.841 -4.154 -16.526 387 HB3 GLU 49 HB3 GLU 49 -0.646 -5.156 -17.418 388 HG2 GLU 49 HG2 GLU 49 -0.488 -6.620 -15.379 389 HG3 GLU 49 HG3 GLU 49 -1.731 -5.661 -14.608 390 H THR 50 H THR 50 -0.475 -1.561 -15.948 391 HA THR 50 HA THR 50 0.771 -0.956 -18.493 392 HB THR 50 HB THR 50 -0.316 0.936 -16.372 393 HG1 THR 50 HG1 THR 50 -1.946 -0.504 -17.016 394 HG21 THR 50 HG21 THR 50 -0.786 2.397 -18.354 395 HG22 THR 50 HG22 THR 50 0.195 1.250 -19.334 396 HG23 THR 50 HG23 THR 50 0.940 2.140 -17.989 397 H PHE 51 H PHE 51 1.636 -0.134 -15.090 398 HA PHE 51 HA PHE 51 3.992 1.305 -16.054 399 HB2 PHE 51 HB2 PHE 51 3.065 0.816 -13.226 400 HB3 PHE 51 HB3 PHE 51 4.514 1.675 -13.703 401 HD1 PHE 51 HD1 PHE 51 0.891 2.056 -13.313 402 HD2 PHE 51 HD2 PHE 51 4.493 3.716 -15.029 403 HE1 PHE 51 HE1 PHE 51 -0.227 4.221 -13.516 404 HE2 PHE 51 HE2 PHE 51 3.366 5.926 -15.313 405 HZ PHE 51 HZ PHE 51 0.963 6.167 -14.518 406 H ARG 52 H ARG 52 3.491 -1.988 -14.955 407 HA ARG 52 HA ARG 52 6.089 -2.393 -13.804 408 HB2 ARG 52 HB2 ARG 52 5.670 -4.753 -14.168 409 HB3 ARG 52 HB3 ARG 52 4.135 -4.017 -13.712 410 HG2 ARG 52 HG2 ARG 52 3.517 -3.926 -16.127 411 HG3 ARG 52 HG3 ARG 52 5.045 -4.803 -16.458 412 HD2 ARG 52 HD2 ARG 52 4.152 -6.678 -15.075 413 HD3 ARG 52 HD3 ARG 52 2.638 -5.786 -14.835 414 HE ARG 52 HE ARG 52 3.313 -5.793 -17.622 415 HH11 ARG 52 HH11 ARG 52 2.056 -8.041 -15.206 416 HH12 ARG 52 HH12 ARG 52 1.199 -8.993 -16.388 417 HH21 ARG 52 HH21 ARG 52 2.272 -6.993 -19.073 418 HH22 ARG 52 HH22 ARG 52 1.341 -8.387 -18.589 419 H GLU 53 H GLU 53 4.992 -2.029 -17.092 420 HA GLU 53 HA GLU 53 7.138 -3.363 -18.475 421 HB2 GLU 53 HB2 GLU 53 5.349 -1.101 -19.344 422 HB3 GLU 53 HB3 GLU 53 6.334 -2.138 -20.405 423 HG2 GLU 53 HG2 GLU 53 3.983 -2.991 -18.712 424 HG3 GLU 53 HG3 GLU 53 3.969 -2.756 -20.436 425 H GLU 54 H GLU 54 6.888 -0.321 -16.875 426 HA GLU 54 HA GLU 54 8.792 1.201 -18.331 427 HB2 GLU 54 HB2 GLU 54 7.954 1.297 -15.410 428 HB3 GLU 54 HB3 GLU 54 8.918 2.531 -16.196 429 HG2 GLU 54 HG2 GLU 54 6.310 1.726 -17.359 430 HG3 GLU 54 HG3 GLU 54 6.317 2.716 -15.908 431 H SER 55 H SER 55 9.312 -1.396 -15.998 432 HA SER 55 HA SER 55 12.227 -0.993 -16.430 433 HB2 SER 55 HB2 SER 55 11.728 0.185 -14.363 434 HB3 SER 55 HB3 SER 55 11.013 -1.268 -13.659 435 HG SER 55 HG SER 55 13.406 -0.612 -13.363 436 H LEU 56 H LEU 56 13.381 -2.920 -16.557 437 HA LEU 56 HA LEU 56 11.944 -5.390 -16.881 438 HB2 LEU 56 HB2 LEU 56 14.171 -4.664 -17.864 439 HB3 LEU 56 HB3 LEU 56 14.892 -4.936 -16.278 440 HG LEU 56 HG LEU 56 15.370 -6.635 -18.016 441 HD11 LEU 56 HD11 LEU 56 15.229 -8.563 -16.655 442 HD12 LEU 56 HD12 LEU 56 13.818 -7.998 -15.790 443 HD13 LEU 56 HD13 LEU 56 15.387 -7.200 -15.550 444 HD21 LEU 56 HD21 LEU 56 13.716 -8.238 -18.685 445 HD22 LEU 56 HD22 LEU 56 13.180 -6.609 -19.109 446 HD23 LEU 56 HD23 LEU 56 12.466 -7.430 -17.698 447 H VAL 57 H VAL 57 13.492 -3.833 -14.154 448 HA VAL 57 HA VAL 57 13.908 -6.049 -12.392 449 HB VAL 57 HB VAL 57 13.178 -3.078 -11.772 450 HG11 VAL 57 HG11 VAL 57 14.293 -3.449 -9.587 451 HG12 VAL 57 HG12 VAL 57 14.579 -5.144 -10.019 452 HG13 VAL 57 HG13 VAL 57 12.955 -4.563 -9.779 453 HG21 VAL 57 HG21 VAL 57 15.875 -4.458 -12.170 454 HG22 VAL 57 HG22 VAL 57 15.649 -2.819 -11.500 455 HG23 VAL 57 HG23 VAL 57 15.164 -3.153 -13.183 456 H CYS 58 H CYS 58 10.947 -4.034 -13.026 457 HA CYS 58 HA CYS 58 9.519 -5.879 -11.113 458 HB2 CYS 58 HB2 CYS 58 7.977 -3.965 -10.929 459 HB3 CYS 58 HB3 CYS 58 9.672 -3.379 -10.638 460 HG CYS 58 HG CYS 58 7.951 -3.382 -13.453 461 H LYS 59 H LYS 59 9.939 -5.511 -14.456 462 HA LYS 59 HA LYS 59 7.252 -5.523 -15.410 463 HB2 LYS 59 HB2 LYS 59 9.244 -5.146 -16.720 464 HB3 LYS 59 HB3 LYS 59 9.650 -6.868 -16.696 465 HG2 LYS 59 HG2 LYS 59 7.534 -7.343 -17.857 466 HG3 LYS 59 HG3 LYS 59 7.235 -5.599 -18.015 467 HD2 LYS 59 HD2 LYS 59 9.616 -7.076 -19.127 468 HD3 LYS 59 HD3 LYS 59 8.205 -6.556 -20.083 469 HE2 LYS 59 HE2 LYS 59 8.651 -4.191 -19.416 470 HE3 LYS 59 HE3 LYS 59 10.184 -4.734 -18.652 471 HZ1 LYS 59 HZ1 LYS 59 10.672 -5.744 -20.889 472 HZ2 LYS 59 HZ2 LYS 59 10.838 -4.116 -20.726 473 HZ3 LYS 59 HZ3 LYS 59 9.511 -4.766 -21.498 474 H ASP 60 H ASP 60 9.095 -8.352 -14.295 475 HA ASP 60 HA ASP 60 6.775 -10.050 -15.183 476 HB2 ASP 60 HB2 ASP 60 9.583 -10.725 -14.205 477 HB3 ASP 60 HB3 ASP 60 8.379 -11.905 -14.712 478 H ALA 61 H ALA 61 7.309 -8.207 -12.580 479 HA ALA 61 HA ALA 61 7.319 -10.080 -10.383 480 HB1 ALA 61 HB1 ALA 61 8.013 -7.723 -10.035 481 HB2 ALA 61 HB2 ALA 61 6.634 -8.138 -8.989 482 HB3 ALA 61 HB3 ALA 61 6.340 -7.204 -10.460 483 H ILE 62 H ILE 62 5.736 -11.092 -9.351 484 HA ILE 62 HA ILE 62 3.035 -11.152 -10.555 485 HB ILE 62 HB ILE 62 4.170 -12.510 -8.076 486 HG12 ILE 62 HG12 ILE 62 3.721 -13.729 -10.828 487 HG13 ILE 62 HG13 ILE 62 5.293 -13.079 -10.296 488 HG21 ILE 62 HG21 ILE 62 1.737 -12.373 -8.016 489 HG22 ILE 62 HG22 ILE 62 1.620 -13.036 -9.653 490 HG23 ILE 62 HG23 ILE 62 2.200 -14.038 -8.292 491 HD11 ILE 62 HD11 ILE 62 5.553 -14.702 -8.556 492 HD12 ILE 62 HD12 ILE 62 5.145 -15.540 -10.092 493 HD13 ILE 62 HD13 ILE 62 3.890 -15.317 -8.839 494 H LEU 63 H LEU 63 1.356 -9.946 -9.813 495 HA LEU 63 HA LEU 63 1.863 -8.300 -7.354 496 HB2 LEU 63 HB2 LEU 63 1.546 -7.193 -9.501 497 HB3 LEU 63 HB3 LEU 63 -0.041 -7.931 -9.707 498 HG LEU 63 HG LEU 63 -0.063 -5.490 -9.220 499 HD11 LEU 63 HD11 LEU 63 -1.868 -5.431 -7.742 500 HD12 LEU 63 HD12 LEU 63 -1.943 -7.064 -8.458 501 HD13 LEU 63 HD13 LEU 63 -1.316 -6.847 -6.824 502 HD21 LEU 63 HD21 LEU 63 1.034 -6.302 -6.505 503 HD22 LEU 63 HD22 LEU 63 1.914 -5.449 -7.757 504 HD23 LEU 63 HD23 LEU 63 0.508 -4.692 -6.976 505 H ASP 64 H ASP 64 0.528 -8.552 -5.609 506 HA ASP 64 HA ASP 64 -2.003 -10.037 -5.934 507 HB2 ASP 64 HB2 ASP 64 -0.184 -11.652 -5.351 508 HB3 ASP 64 HB3 ASP 64 0.016 -10.739 -3.836 509 H ILE 65 H ILE 65 -3.607 -8.947 -4.909 510 HA ILE 65 HA ILE 65 -2.861 -6.792 -2.920 511 HB ILE 65 HB ILE 65 -5.584 -7.393 -4.271 512 HG12 ILE 65 HG12 ILE 65 -3.636 -5.180 -4.932 513 HG13 ILE 65 HG13 ILE 65 -3.706 -6.686 -5.843 514 HG21 ILE 65 HG21 ILE 65 -6.127 -5.056 -3.397 515 HG22 ILE 65 HG22 ILE 65 -5.771 -6.153 -2.066 516 HG23 ILE 65 HG23 ILE 65 -4.529 -5.004 -2.616 517 HD11 ILE 65 HD11 ILE 65 -5.010 -4.976 -6.988 518 HD12 ILE 65 HD12 ILE 65 -6.117 -6.247 -6.357 519 HD13 ILE 65 HD13 ILE 65 -5.946 -4.680 -5.544 520 H VAL 66 H VAL 66 -3.172 -7.027 -0.891 521 HA VAL 66 HA VAL 66 -4.951 -9.161 0.197 522 HB VAL 66 HB VAL 66 -2.732 -7.571 1.552 523 HG11 VAL 66 HG11 VAL 66 -4.491 -8.070 3.191 524 HG12 VAL 66 HG12 VAL 66 -3.103 -9.159 3.407 525 HG13 VAL 66 HG13 VAL 66 -4.534 -9.766 2.595 526 HG21 VAL 66 HG21 VAL 66 -1.799 -9.270 -0.003 527 HG22 VAL 66 HG22 VAL 66 -2.896 -10.509 0.664 528 HG23 VAL 66 HG23 VAL 66 -1.588 -9.812 1.648 529 H ASP 67 H ASP 67 -6.843 -8.475 1.127 530 HA ASP 67 HA ASP 67 -7.429 -5.605 1.154 531 HB2 ASP 67 HB2 ASP 67 -8.997 -8.037 2.097 532 HB3 ASP 67 HB3 ASP 67 -9.647 -6.400 2.167 533 H GLU 68 H GLU 68 -7.272 -4.265 3.038 534 HA GLU 68 HA GLU 68 -6.688 -5.676 5.604 535 HB2 GLU 68 HB2 GLU 68 -5.258 -3.245 4.501 536 HB3 GLU 68 HB3 GLU 68 -5.022 -3.936 6.117 537 HG2 GLU 68 HG2 GLU 68 -4.250 -6.013 5.079 538 HG3 GLU 68 HG3 GLU 68 -4.354 -5.206 3.495 539 H LYS 69 H LYS 69 -7.076 -4.670 7.509 540 HA LYS 69 HA LYS 69 -9.234 -2.678 7.610 541 HB2 LYS 69 HB2 LYS 69 -7.614 -4.264 9.605 542 HB3 LYS 69 HB3 LYS 69 -8.603 -2.885 10.106 543 HG2 LYS 69 HG2 LYS 69 -9.916 -4.883 10.431 544 HG3 LYS 69 HG3 LYS 69 -10.599 -4.006 9.056 545 HD2 LYS 69 HD2 LYS 69 -9.422 -5.535 7.493 546 HD3 LYS 69 HD3 LYS 69 -8.867 -6.459 8.897 547 HE2 LYS 69 HE2 LYS 69 -11.181 -6.905 9.480 548 HE3 LYS 69 HE3 LYS 69 -11.720 -5.902 8.069 549 HZ1 LYS 69 HZ1 LYS 69 -10.458 -7.432 6.705 550 HZ2 LYS 69 HZ2 LYS 69 -11.754 -8.119 7.430 551 HZ3 LYS 69 HZ3 LYS 69 -10.215 -8.434 7.976 552 H VAL 70 H VAL 70 -9.036 -0.652 8.329 553 HA VAL 70 HA VAL 70 -6.692 0.799 7.688 554 HB VAL 70 HB VAL 70 -7.923 2.821 8.411 555 HG11 VAL 70 HG11 VAL 70 -9.742 2.645 6.884 556 HG12 VAL 70 HG12 VAL 70 -9.809 0.886 6.998 557 HG13 VAL 70 HG13 VAL 70 -8.414 1.681 6.247 558 HG21 VAL 70 HG21 VAL 70 -8.957 1.960 10.484 559 HG22 VAL 70 HG22 VAL 70 -9.994 0.850 9.529 560 HG23 VAL 70 HG23 VAL 70 -10.184 2.631 9.410 561 H GLU 71 H GLU 71 -5.557 2.321 8.877 562 HA GLU 71 HA GLU 71 -5.284 1.825 11.831 563 HB2 GLU 71 HB2 GLU 71 -3.158 1.298 10.619 564 HB3 GLU 71 HB3 GLU 71 -3.178 2.938 9.935 565 HG2 GLU 71 HG2 GLU 71 -3.036 3.875 12.231 566 HG3 GLU 71 HG3 GLU 71 -2.883 2.235 12.864 567 H LEU 72 H LEU 72 -5.565 3.663 13.105 568 HA LEU 72 HA LEU 72 -6.285 6.137 11.577 569 HB2 LEU 72 HB2 LEU 72 -7.493 5.148 14.195 570 HB3 LEU 72 HB3 LEU 72 -7.869 6.664 13.420 571 HG LEU 72 HG LEU 72 -8.540 3.940 12.234 572 HD11 LEU 72 HD11 LEU 72 -9.803 4.351 14.327 573 HD12 LEU 72 HD12 LEU 72 -10.247 5.951 13.804 574 HD13 LEU 72 HD13 LEU 72 -10.893 4.557 12.970 575 HD21 LEU 72 HD21 LEU 72 -10.019 5.317 10.805 576 HD22 LEU 72 HD22 LEU 72 -9.294 6.772 11.521 577 HD23 LEU 72 HD23 LEU 72 -8.300 5.621 10.582 578 H GLU 73 H GLU 73 -5.697 8.056 12.363 579 HA GLU 73 HA GLU 73 -3.984 8.124 14.793 580 HB2 GLU 73 HB2 GLU 73 -2.596 8.334 12.710 581 HB3 GLU 73 HB3 GLU 73 -3.590 9.671 12.198 582 HG2 GLU 73 HG2 GLU 73 -2.799 11.042 14.122 583 HG3 GLU 73 HG3 GLU 73 -1.705 9.710 14.572 584 H CYS 74 H CYS 74 -4.366 9.906 16.084 585 HA CYS 74 HA CYS 74 -6.630 11.601 15.220 586 HB2 CYS 74 HB2 CYS 74 -7.007 12.019 17.606 587 HB3 CYS 74 HB3 CYS 74 -7.150 10.312 17.215 588 H LYS 75 H LYS 75 -6.526 13.825 15.514 589 HA LYS 75 HA LYS 75 -3.967 15.094 15.116 590 HB2 LYS 75 HB2 LYS 75 -6.635 16.207 16.049 591 HB3 LYS 75 HB3 LYS 75 -5.233 17.163 15.615 592 HG2 LYS 75 HG2 LYS 75 -5.291 16.216 13.329 593 HG3 LYS 75 HG3 LYS 75 -6.712 15.282 13.753 594 HD2 LYS 75 HD2 LYS 75 -7.459 17.172 12.550 595 HD3 LYS 75 HD3 LYS 75 -7.927 17.422 14.246 596 HE2 LYS 75 HE2 LYS 75 -5.932 18.892 14.531 597 HE3 LYS 75 HE3 LYS 75 -5.585 18.624 12.807 598 HZ1 LYS 75 HZ1 LYS 75 -8.036 19.926 13.899 599 HZ2 LYS 75 HZ2 LYS 75 -7.765 19.603 12.317 600 HZ3 LYS 75 HZ3 LYS 75 -6.810 20.663 13.093 601 H ASP 76 H ASP 76 -2.726 16.140 16.866 602 HA ASP 76 HA ASP 76 -2.310 14.108 18.642 603 HB2 ASP 76 HB2 ASP 76 -0.527 15.296 19.609 604 HB3 ASP 76 HB3 ASP 76 -0.566 15.601 17.864 605 H CYS 77 H CYS 77 -3.777 13.486 19.644 606 HA CYS 77 HA CYS 77 -3.622 14.039 22.531 607 HB2 CYS 77 HB2 CYS 77 -6.019 13.548 22.864 608 HB3 CYS 77 HB3 CYS 77 -5.768 15.075 21.996 609 H SER 78 H SER 78 -1.959 12.602 21.137 610 HA SER 78 HA SER 78 -2.915 10.690 19.381 611 HB2 SER 78 HB2 SER 78 -0.259 10.720 20.722 612 HB3 SER 78 HB3 SER 78 -0.634 9.895 19.195 613 HG SER 78 HG SER 78 0.318 12.100 19.060 614 H HIS 79 H HIS 79 -3.210 8.762 19.115 615 HA HIS 79 HA HIS 79 -3.226 6.857 21.339 616 HB2 HIS 79 HB2 HIS 79 -5.402 6.333 21.296 617 HB3 HIS 79 HB3 HIS 79 -5.402 8.032 21.274 618 HD1 HIS 79 HD1 HIS 79 -5.754 8.884 18.517 619 HD2 HIS 79 HD2 HIS 79 -7.049 5.167 19.747 620 HE1 HIS 79 HE1 HIS 79 -7.478 8.166 16.798 621 HE2 HIS 79 HE2 HIS 79 -8.310 5.878 17.535 622 H VAL 80 H VAL 80 -1.750 6.891 18.604 623 HA VAL 80 HA VAL 80 -3.582 5.878 16.693 624 HB VAL 80 HB VAL 80 -0.468 5.969 16.678 625 HG11 VAL 80 HG11 VAL 80 -1.295 4.629 14.746 626 HG12 VAL 80 HG12 VAL 80 -2.409 5.979 14.346 627 HG13 VAL 80 HG13 VAL 80 -0.617 6.199 14.269 628 HG21 VAL 80 HG21 VAL 80 -2.555 8.005 16.091 629 HG22 VAL 80 HG22 VAL 80 -1.250 8.101 17.277 630 HG23 VAL 80 HG23 VAL 80 -0.897 8.129 15.538 631 H PHE 81 H PHE 81 -3.971 4.079 15.805 632 HA PHE 81 HA PHE 81 -2.797 1.499 16.606 633 HB2 PHE 81 HB2 PHE 81 -4.631 0.866 18.046 634 HB3 PHE 81 HB3 PHE 81 -4.150 2.479 18.526 635 HD1 PHE 81 HD1 PHE 81 -5.678 4.305 16.635 636 HD2 PHE 81 HD2 PHE 81 -6.801 0.526 18.411 637 HE1 PHE 81 HE1 PHE 81 -8.099 4.751 16.146 638 HE2 PHE 81 HE2 PHE 81 -9.179 1.088 18.192 639 HZ PHE 81 HZ PHE 81 -9.860 3.177 17.000 640 H LYS 82 H LYS 82 -4.463 -0.313 15.833 641 HA LYS 82 HA LYS 82 -5.995 0.652 13.414 642 HB2 LYS 82 HB2 LYS 82 -5.127 -2.187 14.252 643 HB3 LYS 82 HB3 LYS 82 -6.207 -1.819 12.906 644 HG2 LYS 82 HG2 LYS 82 -4.150 -2.262 11.923 645 HG3 LYS 82 HG3 LYS 82 -4.326 -0.525 11.815 646 HD2 LYS 82 HD2 LYS 82 -2.794 -0.305 13.781 647 HD3 LYS 82 HD3 LYS 82 -2.694 -2.063 13.830 648 HE2 LYS 82 HE2 LYS 82 -1.743 -2.073 11.566 649 HE3 LYS 82 HE3 LYS 82 -1.845 -0.277 11.555 650 HZ1 LYS 82 HZ1 LYS 82 0.384 -1.000 12.288 651 HZ2 LYS 82 HZ2 LYS 82 -0.271 -1.864 13.525 652 HZ3 LYS 82 HZ3 LYS 82 -0.379 -0.220 13.534 653 HA PRO 83 HA PRO 83 -9.327 0.122 16.376 654 HB2 PRO 83 HB2 PRO 83 -11.496 0.592 14.825 655 HB3 PRO 83 HB3 PRO 83 -10.389 1.923 15.355 656 HG2 PRO 83 HG2 PRO 83 -10.400 0.394 12.776 657 HG3 PRO 83 HG3 PRO 83 -10.390 2.157 12.985 658 HD2 PRO 83 HD2 PRO 83 -8.108 0.832 12.553 659 HD3 PRO 83 HD3 PRO 83 -8.145 2.159 13.723 660 H ASN 84 H ASN 84 -10.674 -1.423 17.029 661 HA ASN 84 HA ASN 84 -10.939 -3.881 15.317 662 HB2 ASN 84 HB2 ASN 84 -10.860 -3.535 18.368 663 HB3 ASN 84 HB3 ASN 84 -11.062 -5.058 17.520 664 HD21 ASN 84 HD21 ASN 84 -9.157 -5.067 15.555 665 HD22 ASN 84 HD22 ASN 84 -7.579 -4.939 16.265 666 H ALA 85 H ALA 85 -12.688 -1.272 16.065 667 HA ALA 85 HA ALA 85 -15.261 -2.730 16.271 668 HB1 ALA 85 HB1 ALA 85 -15.977 -1.286 18.161 669 HB2 ALA 85 HB2 ALA 85 -14.304 -0.624 18.274 670 HB3 ALA 85 HB3 ALA 85 -14.596 -2.346 18.582 671 H LEU 86 H LEU 86 -17.095 -1.189 16.354 672 HA LEU 86 HA LEU 86 -17.151 0.228 13.868 673 HB2 LEU 86 HB2 LEU 86 -19.120 0.123 16.159 674 HB3 LEU 86 HB3 LEU 86 -19.471 0.724 14.539 675 HG LEU 86 HG LEU 86 -18.677 -2.145 15.194 676 HD11 LEU 86 HD11 LEU 86 -21.064 -2.596 14.682 677 HD12 LEU 86 HD12 LEU 86 -21.354 -0.860 14.565 678 HD13 LEU 86 HD13 LEU 86 -20.887 -1.589 16.094 679 HD21 LEU 86 HD21 LEU 86 -19.483 -2.592 12.897 680 HD22 LEU 86 HD22 LEU 86 -18.061 -1.493 12.908 681 HD23 LEU 86 HD23 LEU 86 -19.703 -0.847 12.643 682 H ASP 87 H ASP 87 -15.697 1.309 16.691 683 HA ASP 87 HA ASP 87 -16.929 3.967 16.757 684 HB2 ASP 87 HB2 ASP 87 -15.392 4.384 18.567 685 HB3 ASP 87 HB3 ASP 87 -16.164 2.824 18.799 686 H TYR 88 H TYR 88 -15.889 3.212 14.260 687 HA TYR 88 HA TYR 88 -13.395 4.455 13.671 688 HB2 TYR 88 HB2 TYR 88 -15.778 4.134 11.921 689 HB3 TYR 88 HB3 TYR 88 -14.199 4.642 11.385 690 HD1 TYR 88 HD1 TYR 88 -12.320 3.022 11.378 691 HD2 TYR 88 HD2 TYR 88 -16.304 1.869 12.334 692 HE1 TYR 88 HE1 TYR 88 -11.711 0.584 11.029 693 HE2 TYR 88 HE2 TYR 88 -15.698 -0.554 12.062 694 HH TYR 88 HH TYR 88 -14.017 -2.059 11.673 695 H GLY 89 H GLY 89 -12.855 6.588 13.028 696 HA2 GLY 89 HA2 GLY 89 -13.312 8.734 12.340 697 HA3 GLY 89 HA3 GLY 89 -15.016 8.537 12.703 698 H VAL 90 H VAL 90 -13.443 7.472 15.386 699 HA VAL 90 HA VAL 90 -12.985 10.169 16.580 700 HB VAL 90 HB VAL 90 -14.111 9.447 18.705 701 HG11 VAL 90 HG11 VAL 90 -16.481 9.729 17.913 702 HG12 VAL 90 HG12 VAL 90 -15.330 10.875 17.134 703 HG13 VAL 90 HG13 VAL 90 -15.914 9.437 16.217 704 HG21 VAL 90 HG21 VAL 90 -15.566 7.501 18.745 705 HG22 VAL 90 HG22 VAL 90 -15.268 7.140 17.063 706 HG23 VAL 90 HG23 VAL 90 -13.964 6.942 18.234 707 H CYS 91 H CYS 91 -11.744 9.898 18.613 708 HA CYS 91 HA CYS 91 -9.601 8.003 18.252 709 HB2 CYS 91 HB2 CYS 91 -10.348 9.775 20.558 710 HB3 CYS 91 HB3 CYS 91 -8.765 9.020 20.337 711 H GLU 92 H GLU 92 -9.146 6.286 20.125 712 HA GLU 92 HA GLU 92 -11.761 5.604 21.469 713 HB2 GLU 92 HB2 GLU 92 -11.323 3.310 21.622 714 HB3 GLU 92 HB3 GLU 92 -10.992 3.790 19.952 715 HG2 GLU 92 HG2 GLU 92 -8.574 3.728 20.438 716 HG3 GLU 92 HG3 GLU 92 -8.959 3.320 22.115 717 H LYS 93 H LYS 93 -8.265 5.905 22.028 718 HA LYS 93 HA LYS 93 -8.207 5.144 24.801 719 HB2 LYS 93 HB2 LYS 93 -6.271 5.415 23.160 720 HB3 LYS 93 HB3 LYS 93 -6.546 7.135 23.263 721 HG2 LYS 93 HG2 LYS 93 -4.726 6.759 24.581 722 HG3 LYS 93 HG3 LYS 93 -6.063 6.997 25.698 723 HD2 LYS 93 HD2 LYS 93 -6.263 4.546 25.938 724 HD3 LYS 93 HD3 LYS 93 -4.922 4.361 24.762 725 HE2 LYS 93 HE2 LYS 93 -3.423 5.616 26.302 726 HE3 LYS 93 HE3 LYS 93 -4.784 5.786 27.422 727 HZ1 LYS 93 HZ1 LYS 93 -3.341 4.005 28.075 728 HZ2 LYS 93 HZ2 LYS 93 -3.555 3.244 26.642 729 HZ3 LYS 93 HZ3 LYS 93 -4.835 3.395 27.689 730 H CYS 94 H CYS 94 -8.762 7.998 23.018 731 HA CYS 94 HA CYS 94 -9.791 9.754 25.169 732 HB2 CYS 94 HB2 CYS 94 -8.629 11.542 23.707 733 HB3 CYS 94 HB3 CYS 94 -7.495 10.452 24.537 734 H HIS 95 H HIS 95 -11.568 11.100 23.724 735 HA HIS 95 HA HIS 95 -12.363 9.410 21.381 736 HB2 HIS 95 HB2 HIS 95 -14.259 10.511 23.420 737 HB3 HIS 95 HB3 HIS 95 -14.684 9.670 21.952 738 HD1 HIS 95 HD1 HIS 95 -13.993 8.976 25.462 739 HD2 HIS 95 HD2 HIS 95 -13.751 6.933 21.813 740 HE1 HIS 95 HE1 HIS 95 -13.967 6.493 26.004 741 HE2 HIS 95 HE2 HIS 95 -13.791 5.237 23.788 742 H SER 96 H SER 96 -10.890 11.779 21.191 743 HA SER 96 HA SER 96 -12.641 14.042 20.741 744 HB2 SER 96 HB2 SER 96 -10.208 14.251 21.336 745 HB3 SER 96 HB3 SER 96 -9.770 13.437 19.812 746 HG SER 96 HG SER 96 -10.466 15.125 18.630 747 H LYS 97 H LYS 97 -13.326 14.898 18.842 748 HA LYS 97 HA LYS 97 -13.668 13.079 16.549 749 HB2 LYS 97 HB2 LYS 97 -14.335 16.043 16.986 750 HB3 LYS 97 HB3 LYS 97 -14.764 15.129 15.550 751 HG2 LYS 97 HG2 LYS 97 -16.079 13.526 16.997 752 HG3 LYS 97 HG3 LYS 97 -15.796 14.579 18.379 753 HD2 LYS 97 HD2 LYS 97 -17.927 15.153 17.568 754 HD3 LYS 97 HD3 LYS 97 -16.867 16.450 17.021 755 HE2 LYS 97 HE2 LYS 97 -16.711 15.416 14.799 756 HE3 LYS 97 HE3 LYS 97 -17.797 14.098 15.281 757 HZ1 LYS 97 HZ1 LYS 97 -18.512 17.011 15.149 758 HZ2 LYS 97 HZ2 LYS 97 -19.508 15.793 15.684 759 HZ3 LYS 97 HZ3 LYS 97 -19.011 15.808 14.106 760 H ASN 98 H ASN 98 -12.945 13.933 14.487 761 HA ASN 98 HA ASN 98 -11.413 14.598 12.959 762 HB2 ASN 98 HB2 ASN 98 -10.155 16.357 15.039 763 HB3 ASN 98 HB3 ASN 98 -9.791 16.367 13.306 764 HD21 ASN 98 HD21 ASN 98 -11.211 18.132 15.520 765 HD22 ASN 98 HD22 ASN 98 -12.579 18.804 14.660 766 H VAL 99 H VAL 99 -10.844 12.493 12.927 767 HA VAL 99 HA VAL 99 -8.065 11.959 13.785 768 HB VAL 99 HB VAL 99 -8.566 9.541 13.921 769 HG11 VAL 99 HG11 VAL 99 -8.799 11.070 15.949 770 HG12 VAL 99 HG12 VAL 99 -9.688 9.551 16.063 771 HG13 VAL 99 HG13 VAL 99 -10.534 11.064 15.695 772 HG21 VAL 99 HG21 VAL 99 -10.905 8.782 13.973 773 HG22 VAL 99 HG22 VAL 99 -10.441 9.447 12.385 774 HG23 VAL 99 HG23 VAL 99 -11.450 10.398 13.509 775 H ILE 100 H ILE 100 -7.069 10.533 12.120 776 HA ILE 100 HA ILE 100 -8.424 10.815 9.427 777 HB ILE 100 HB ILE 100 -6.253 11.314 8.458 778 HG12 ILE 100 HG12 ILE 100 -5.213 11.579 11.245 779 HG13 ILE 100 HG13 ILE 100 -4.878 10.190 10.232 780 HG21 ILE 100 HG21 ILE 100 -7.790 13.138 9.320 781 HG22 ILE 100 HG22 ILE 100 -6.142 13.590 8.923 782 HG23 ILE 100 HG23 ILE 100 -6.627 13.382 10.638 783 HD11 ILE 100 HD11 ILE 100 -3.644 11.716 8.675 784 HD12 ILE 100 HD12 ILE 100 -2.911 11.686 10.274 785 HD13 ILE 100 HD13 ILE 100 -3.949 13.051 9.766 786 H ILE 101 H ILE 101 -7.464 9.235 7.911 787 HA ILE 101 HA ILE 101 -6.776 6.682 9.254 788 HB ILE 101 HB ILE 101 -7.625 7.246 6.311 789 HG12 ILE 101 HG12 ILE 101 -9.255 5.929 8.520 790 HG13 ILE 101 HG13 ILE 101 -9.449 7.614 8.057 791 HG21 ILE 101 HG21 ILE 101 -6.170 5.310 6.587 792 HG22 ILE 101 HG22 ILE 101 -7.824 4.751 6.203 793 HG23 ILE 101 HG23 ILE 101 -7.238 4.701 7.864 794 HD11 ILE 101 HD11 ILE 101 -10.025 5.156 6.385 795 HD12 ILE 101 HD12 ILE 101 -11.180 6.335 7.005 796 HD13 ILE 101 HD13 ILE 101 -10.008 6.812 5.729 797 H THR 102 H THR 102 -4.672 6.101 9.209 798 HA THR 102 HA THR 102 -2.983 7.599 7.298 799 HB THR 102 HB THR 102 -1.095 7.096 8.700 800 HG1 THR 102 HG1 THR 102 -1.346 5.843 10.530 801 HG21 THR 102 HG21 THR 102 -2.415 9.108 9.156 802 HG22 THR 102 HG22 THR 102 -1.712 8.424 10.606 803 HG23 THR 102 HG23 THR 102 -3.409 8.211 10.293 804 H GLN 103 H GLN 103 -4.067 4.372 8.098 805 HA GLN 103 HA GLN 103 -2.540 3.566 5.701 806 HB2 GLN 103 HB2 GLN 103 -2.698 1.920 8.230 807 HB3 GLN 103 HB3 GLN 103 -2.082 1.366 6.703 808 HG2 GLN 103 HG2 GLN 103 -0.349 3.124 6.719 809 HG3 GLN 103 HG3 GLN 103 -0.947 3.708 8.277 810 HE21 GLN 103 HE21 GLN 103 1.234 3.461 8.984 811 HE22 GLN 103 HE22 GLN 103 1.830 1.868 9.411 812 H GLY 104 H GLY 104 -3.637 2.008 4.481 813 HA2 GLY 104 HA2 GLY 104 -5.438 0.594 3.969 814 HA3 GLY 104 HA3 GLY 104 -6.268 1.114 5.474 815 H ASN 105 H ASN 105 -5.168 3.876 3.984 816 HA ASN 105 HA ASN 105 -7.866 4.366 2.770 817 HB2 ASN 105 HB2 ASN 105 -6.869 6.001 4.445 818 HB3 ASN 105 HB3 ASN 105 -5.603 6.357 3.265 819 HD21 ASN 105 HD21 ASN 105 -9.045 5.720 2.565 820 HD22 ASN 105 HD22 ASN 105 -9.443 7.338 1.998 821 H GLU 106 H GLU 106 -4.553 3.740 2.173 822 HA GLU 106 HA GLU 106 -4.940 3.882 -0.746 823 HB2 GLU 106 HB2 GLU 106 -2.840 5.092 -1.058 824 HB3 GLU 106 HB3 GLU 106 -3.940 6.050 -0.056 825 HG2 GLU 106 HG2 GLU 106 -2.634 5.354 1.918 826 HG3 GLU 106 HG3 GLU 106 -1.576 4.421 0.878 827 H MET 107 H MET 107 -2.664 2.995 -1.612 828 HA MET 107 HA MET 107 -2.362 0.284 -0.795 829 HB2 MET 107 HB2 MET 107 -1.956 1.317 -3.075 830 HB3 MET 107 HB3 MET 107 -0.491 2.013 -2.354 831 HG2 MET 107 HG2 MET 107 0.330 -0.278 -1.860 832 HG3 MET 107 HG3 MET 107 -1.014 -0.933 -2.812 833 HE1 MET 107 HE1 MET 107 2.554 1.721 -4.217 834 HE2 MET 107 HE2 MET 107 1.447 2.225 -2.884 835 HE3 MET 107 HE3 MET 107 2.517 0.799 -2.699 836 H ARG 108 H ARG 108 -0.716 -0.882 0.228 837 HA ARG 108 HA ARG 108 1.607 0.601 1.399 838 HB2 ARG 108 HB2 ARG 108 -0.206 0.203 3.152 839 HB3 ARG 108 HB3 ARG 108 -0.100 -1.513 2.757 840 HG2 ARG 108 HG2 ARG 108 2.265 -1.575 3.481 841 HG3 ARG 108 HG3 ARG 108 2.223 0.098 3.957 842 HD2 ARG 108 HD2 ARG 108 0.415 -0.479 5.616 843 HD3 ARG 108 HD3 ARG 108 0.543 -2.194 5.121 844 HE ARG 108 HE ARG 108 3.110 -1.220 5.887 845 HH11 ARG 108 HH11 ARG 108 0.038 -2.231 7.294 846 HH12 ARG 108 HH12 ARG 108 0.723 -2.710 8.808 847 HH21 ARG 108 HH21 ARG 108 3.945 -1.752 7.904 848 HH22 ARG 108 HH22 ARG 108 2.929 -2.409 9.146 849 H LEU 109 H LEU 109 3.558 -0.751 1.346 850 HA LEU 109 HA LEU 109 3.285 -3.215 -0.323 851 HB2 LEU 109 HB2 LEU 109 5.666 -1.814 0.994 852 HB3 LEU 109 HB3 LEU 109 5.778 -3.354 0.187 853 HG LEU 109 HG LEU 109 5.103 -0.834 -1.265 854 HD11 LEU 109 HD11 LEU 109 7.306 -0.722 -0.371 855 HD12 LEU 109 HD12 LEU 109 7.440 -1.129 -2.089 856 HD13 LEU 109 HD13 LEU 109 7.656 -2.366 -0.853 857 HD21 LEU 109 HD21 LEU 109 5.735 -3.731 -2.066 858 HD22 LEU 109 HD22 LEU 109 5.783 -2.382 -3.205 859 HD23 LEU 109 HD23 LEU 109 4.240 -2.803 -2.414 860 H LEU 110 H LEU 110 3.361 -5.306 0.589 861 HA LEU 110 HA LEU 110 3.810 -5.312 3.551 862 HB2 LEU 110 HB2 LEU 110 2.373 -7.369 1.811 863 HB3 LEU 110 HB3 LEU 110 2.576 -7.457 3.566 864 HG LEU 110 HG LEU 110 1.050 -5.273 2.060 865 HD11 LEU 110 HD11 LEU 110 0.123 -7.732 3.583 866 HD12 LEU 110 HD12 LEU 110 -0.087 -7.393 1.874 867 HD13 LEU 110 HD13 LEU 110 -0.941 -6.424 3.092 868 HD21 LEU 110 HD21 LEU 110 1.941 -4.541 4.264 869 HD22 LEU 110 HD22 LEU 110 1.126 -5.897 5.062 870 HD23 LEU 110 HD23 LEU 110 0.174 -4.631 4.273 871 H SER 111 H SER 111 4.760 -7.071 0.536 872 HA SER 111 HA SER 111 7.332 -7.700 1.751 873 HB2 SER 111 HB2 SER 111 5.964 -9.469 2.707 874 HB3 SER 111 HB3 SER 111 5.378 -9.927 1.112 875 HG SER 111 HG SER 111 8.009 -10.170 2.186 876 H LEU 112 H LEU 112 8.844 -8.419 0.158 877 HA LEU 112 HA LEU 112 7.858 -8.644 -2.650 878 HB2 LEU 112 HB2 LEU 112 10.325 -7.135 -1.721 879 HB3 LEU 112 HB3 LEU 112 9.978 -7.572 -3.376 880 HG LEU 112 HG LEU 112 8.052 -5.987 -3.415 881 HD11 LEU 112 HD11 LEU 112 9.067 -5.159 -0.692 882 HD12 LEU 112 HD12 LEU 112 7.504 -5.823 -1.099 883 HD13 LEU 112 HD13 LEU 112 8.009 -4.212 -1.720 884 HD21 LEU 112 HD21 LEU 112 10.784 -4.896 -2.623 885 HD22 LEU 112 HD22 LEU 112 9.523 -3.977 -3.497 886 HD23 LEU 112 HD23 LEU 112 10.272 -5.440 -4.224 887 H GLU 113 H GLU 113 8.824 -10.213 -3.846 888 HA GLU 113 HA GLU 113 10.864 -11.880 -2.472 889 HB2 GLU 113 HB2 GLU 113 8.792 -13.028 -3.200 890 HB3 GLU 113 HB3 GLU 113 9.157 -12.599 -4.881 891 HG2 GLU 113 HG2 GLU 113 9.938 -14.823 -4.651 892 HG3 GLU 113 HG3 GLU 113 11.322 -13.751 -4.635 893 H MET 114 H MET 114 13.000 -11.634 -3.291 894 HA MET 114 HA MET 114 13.188 -10.168 -5.897 895 HB2 MET 114 HB2 MET 114 14.556 -9.524 -3.208 896 HB3 MET 114 HB3 MET 114 14.839 -8.647 -4.708 897 HG2 MET 114 HG2 MET 114 12.442 -7.917 -4.693 898 HG3 MET 114 HG3 MET 114 12.194 -8.859 -3.243 899 HE1 MET 114 HE1 MET 114 13.168 -5.480 -4.502 900 HE2 MET 114 HE2 MET 114 14.734 -6.263 -4.361 901 HE3 MET 114 HE3 MET 114 14.343 -4.966 -3.280 902 H LEU 115 H LEU 115 15.202 -10.522 -7.045 903 HA LEU 115 HA LEU 115 16.732 -12.876 -6.033 904 HB2 LEU 115 HB2 LEU 115 16.521 -11.687 -8.854 905 HB3 LEU 115 HB3 LEU 115 17.497 -13.092 -8.409 906 HG LEU 115 HG LEU 115 14.464 -12.964 -8.210 907 HD11 LEU 115 HD11 LEU 115 15.234 -12.801 -10.541 908 HD12 LEU 115 HD12 LEU 115 14.436 -14.378 -10.213 909 HD13 LEU 115 HD13 LEU 115 16.245 -14.292 -10.295 910 HD21 LEU 115 HD21 LEU 115 14.560 -15.373 -7.946 911 HD22 LEU 115 HD22 LEU 115 15.492 -14.606 -6.654 912 HD23 LEU 115 HD23 LEU 115 16.307 -15.359 -8.041 913 H ALA 116 H ALA 116 18.896 -12.700 -5.651 914 HA ALA 116 HA ALA 116 19.959 -10.061 -5.305 915 HB1 ALA 116 HB1 ALA 116 20.519 -12.019 -3.897 916 HB2 ALA 116 HB2 ALA 116 21.959 -11.238 -4.525 917 HB3 ALA 116 HB3 ALA 116 21.405 -12.766 -5.248 918 H GLU 117 H GLU 117 21.766 -9.053 -6.336 919 HA GLU 117 HA GLU 117 21.829 -9.283 -9.172 920 HB2 GLU 117 HB2 GLU 117 23.489 -7.556 -9.062 921 HB3 GLU 117 HB3 GLU 117 22.255 -7.207 -7.841 922 HG2 GLU 117 HG2 GLU 117 23.730 -8.197 -6.104 923 HG3 GLU 117 HG3 GLU 117 24.996 -8.449 -7.317 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -3.016 10.288 -5.475 2 H2 MET 1 H2 MET 1 -2.475 8.860 -4.785 3 H3 MET 1 H3 MET 1 -2.874 10.153 -3.860 4 HA MET 1 HA MET 1 -4.620 8.569 -3.640 5 HB2 MET 1 HB2 MET 1 -5.160 11.005 -3.645 6 HB3 MET 1 HB3 MET 1 -5.357 10.965 -5.403 7 HG2 MET 1 HG2 MET 1 -7.241 9.352 -5.124 8 HG3 MET 1 HG3 MET 1 -7.088 9.491 -3.357 9 HE1 MET 1 HE1 MET 1 -8.131 13.245 -2.691 10 HE2 MET 1 HE2 MET 1 -6.494 12.587 -2.795 11 HE3 MET 1 HE3 MET 1 -7.762 11.679 -1.959 12 H HIS 2 H HIS 2 -4.261 9.726 -7.064 13 HA HIS 2 HA HIS 2 -6.217 7.873 -8.029 14 HB2 HIS 2 HB2 HIS 2 -3.964 9.343 -9.436 15 HB3 HIS 2 HB3 HIS 2 -5.299 8.522 -10.281 16 HD1 HIS 2 HD1 HIS 2 -4.829 11.558 -10.690 17 HD2 HIS 2 HD2 HIS 2 -7.439 9.971 -7.803 18 HE1 HIS 2 HE1 HIS 2 -6.559 13.390 -10.099 19 HE2 HIS 2 HE2 HIS 2 -8.036 12.397 -8.305 20 H GLU 3 H GLU 3 -5.864 5.798 -9.133 21 HA GLU 3 HA GLU 3 -3.762 4.324 -7.832 22 HB2 GLU 3 HB2 GLU 3 -5.462 3.586 -10.271 23 HB3 GLU 3 HB3 GLU 3 -4.445 2.449 -9.344 24 HG2 GLU 3 HG2 GLU 3 -6.610 2.089 -8.510 25 HG3 GLU 3 HG3 GLU 3 -5.868 3.098 -7.288 26 H TYR 4 H TYR 4 -4.011 5.626 -11.173 27 HA TYR 4 HA TYR 4 -1.570 4.310 -12.015 28 HB2 TYR 4 HB2 TYR 4 -2.967 6.745 -13.102 29 HB3 TYR 4 HB3 TYR 4 -1.556 5.981 -13.843 30 HD1 TYR 4 HD1 TYR 4 -5.185 5.448 -13.042 31 HD2 TYR 4 HD2 TYR 4 -1.686 3.949 -15.022 32 HE1 TYR 4 HE1 TYR 4 -6.615 3.830 -14.317 33 HE2 TYR 4 HE2 TYR 4 -3.074 2.420 -16.302 34 HH TYR 4 HH TYR 4 -6.651 2.183 -15.862 35 H SER 5 H SER 5 -2.092 7.374 -10.221 36 HA SER 5 HA SER 5 0.670 8.230 -10.689 37 HB2 SER 5 HB2 SER 5 -1.166 9.810 -10.022 38 HB3 SER 5 HB3 SER 5 -1.281 9.021 -8.458 39 HG SER 5 HG SER 5 0.154 10.946 -8.609 40 H VAL 6 H VAL 6 -1.091 6.366 -8.141 41 HA VAL 6 HA VAL 6 1.163 6.290 -6.368 42 HB VAL 6 HB VAL 6 -1.195 4.431 -6.499 43 HG11 VAL 6 HG11 VAL 6 0.566 3.336 -5.261 44 HG12 VAL 6 HG12 VAL 6 -0.596 3.949 -4.086 45 HG13 VAL 6 HG13 VAL 6 0.923 4.835 -4.381 46 HG21 VAL 6 HG21 VAL 6 -2.070 5.774 -4.559 47 HG22 VAL 6 HG22 VAL 6 -1.893 6.763 -6.031 48 HG23 VAL 6 HG23 VAL 6 -0.690 6.875 -4.755 49 H VAL 7 H VAL 7 -0.007 4.124 -8.966 50 HA VAL 7 HA VAL 7 2.007 2.118 -8.484 51 HB VAL 7 HB VAL 7 0.423 2.776 -11.022 52 HG11 VAL 7 HG11 VAL 7 2.012 0.260 -10.312 53 HG12 VAL 7 HG12 VAL 7 1.100 0.562 -11.804 54 HG13 VAL 7 HG13 VAL 7 2.553 1.490 -11.471 55 HG21 VAL 7 HG21 VAL 7 -0.851 0.718 -10.366 56 HG22 VAL 7 HG22 VAL 7 0.107 0.625 -8.855 57 HG23 VAL 7 HG23 VAL 7 -0.964 1.978 -9.125 58 H SER 8 H SER 8 1.961 5.126 -10.453 59 HA SER 8 HA SER 8 4.392 4.444 -11.780 60 HB2 SER 8 HB2 SER 8 2.836 6.203 -12.582 61 HB3 SER 8 HB3 SER 8 3.216 7.186 -11.149 62 HG SER 8 HG SER 8 4.267 7.482 -13.317 63 H SER 9 H SER 9 3.776 6.079 -8.625 64 HA SER 9 HA SER 9 6.607 6.508 -8.235 65 HB2 SER 9 HB2 SER 9 6.026 7.139 -5.947 66 HB3 SER 9 HB3 SER 9 4.884 7.873 -7.102 67 HG SER 9 HG SER 9 3.602 5.784 -6.624 68 H LEU 10 H LEU 10 4.371 3.887 -7.787 69 HA LEU 10 HA LEU 10 5.726 2.420 -5.752 70 HB2 LEU 10 HB2 LEU 10 3.425 1.945 -6.510 71 HB3 LEU 10 HB3 LEU 10 4.085 1.319 -8.025 72 HG LEU 10 HG LEU 10 5.324 -0.414 -6.815 73 HD11 LEU 10 HD11 LEU 10 5.776 0.318 -4.684 74 HD12 LEU 10 HD12 LEU 10 4.282 -0.635 -4.313 75 HD13 LEU 10 HD13 LEU 10 4.217 1.087 -4.460 76 HD21 LEU 10 HD21 LEU 10 2.336 -0.263 -6.322 77 HD22 LEU 10 HD22 LEU 10 3.157 -0.974 -7.691 78 HD23 LEU 10 HD23 LEU 10 3.309 -1.753 -6.086 79 H ILE 11 H ILE 11 6.046 2.412 -9.291 80 HA ILE 11 HA ILE 11 7.747 0.079 -9.363 81 HB ILE 11 HB ILE 11 7.616 2.509 -11.269 82 HG12 ILE 11 HG12 ILE 11 5.446 1.301 -11.086 83 HG13 ILE 11 HG13 ILE 11 6.160 1.057 -12.655 84 HG21 ILE 11 HG21 ILE 11 9.712 1.348 -11.611 85 HG22 ILE 11 HG22 ILE 11 8.886 -0.284 -11.551 86 HG23 ILE 11 HG23 ILE 11 8.586 0.873 -12.922 87 HD11 ILE 11 HD11 ILE 11 6.908 -1.240 -11.958 88 HD12 ILE 11 HD12 ILE 11 5.159 -1.007 -11.905 89 HD13 ILE 11 HD13 ILE 11 6.091 -0.995 -10.378 90 H ALA 12 H ALA 12 8.451 3.620 -8.852 91 HA ALA 12 HA ALA 12 11.303 3.203 -8.831 92 HB1 ALA 12 HB1 ALA 12 9.515 5.374 -7.588 93 HB2 ALA 12 HB2 ALA 12 10.335 5.385 -9.186 94 HB3 ALA 12 HB3 ALA 12 11.289 5.445 -7.699 95 H LEU 13 H LEU 13 8.743 3.054 -6.326 96 HA LEU 13 HA LEU 13 10.506 2.950 -4.090 97 HB2 LEU 13 HB2 LEU 13 8.084 3.433 -4.086 98 HB3 LEU 13 HB3 LEU 13 7.742 1.719 -4.426 99 HG LEU 13 HG LEU 13 8.694 1.204 -2.172 100 HD11 LEU 13 HD11 LEU 13 9.099 4.208 -2.172 101 HD12 LEU 13 HD12 LEU 13 10.242 2.895 -1.745 102 HD13 LEU 13 HD13 LEU 13 8.909 3.251 -0.627 103 HD21 LEU 13 HD21 LEU 13 6.236 1.634 -2.476 104 HD22 LEU 13 HD22 LEU 13 6.496 3.346 -2.147 105 HD23 LEU 13 HD23 LEU 13 6.804 2.138 -0.868 106 H CYS 14 H CYS 14 9.093 0.571 -6.235 107 HA CYS 14 HA CYS 14 10.119 -1.765 -4.863 108 HB2 CYS 14 HB2 CYS 14 9.281 -1.319 -7.775 109 HB3 CYS 14 HB3 CYS 14 9.694 -2.871 -7.059 110 HG CYS 14 HG CYS 14 7.281 -0.760 -6.418 111 H GLU 15 H GLU 15 11.374 0.343 -7.483 112 HA GLU 15 HA GLU 15 13.723 -1.250 -7.843 113 HB2 GLU 15 HB2 GLU 15 13.243 1.668 -8.317 114 HB3 GLU 15 HB3 GLU 15 14.740 0.876 -8.727 115 HG2 GLU 15 HG2 GLU 15 13.514 -0.611 -10.256 116 HG3 GLU 15 HG3 GLU 15 12.031 0.233 -9.881 117 H GLU 16 H GLU 16 13.077 1.477 -5.534 118 HA GLU 16 HA GLU 16 15.857 1.452 -4.814 119 HB2 GLU 16 HB2 GLU 16 15.408 2.858 -2.972 120 HB3 GLU 16 HB3 GLU 16 14.342 3.401 -4.299 121 HG2 GLU 16 HG2 GLU 16 12.456 2.273 -3.134 122 HG3 GLU 16 HG3 GLU 16 13.578 1.780 -1.850 123 H HIS 17 H HIS 17 13.033 -0.381 -3.723 124 HA HIS 17 HA HIS 17 14.453 -1.617 -1.514 125 HB2 HIS 17 HB2 HIS 17 12.072 -2.543 -3.113 126 HB3 HIS 17 HB3 HIS 17 12.787 -3.431 -1.775 127 HD1 HIS 17 HD1 HIS 17 12.835 -2.357 0.666 128 HD2 HIS 17 HD2 HIS 17 10.239 -0.592 -2.129 129 HE1 HIS 17 HE1 HIS 17 11.163 -0.964 1.968 130 HE2 HIS 17 HE2 HIS 17 9.576 0.090 0.302 131 H ALA 18 H ALA 18 14.273 -2.278 -4.986 132 HA ALA 18 HA ALA 18 15.690 -4.785 -4.813 133 HB1 ALA 18 HB1 ALA 18 16.064 -4.583 -7.165 134 HB2 ALA 18 HB2 ALA 18 15.936 -2.819 -7.122 135 HB3 ALA 18 HB3 ALA 18 14.490 -3.839 -6.843 136 H LYS 19 H LYS 19 16.799 -1.364 -4.948 137 HA LYS 19 HA LYS 19 19.578 -2.044 -5.146 138 HB2 LYS 19 HB2 LYS 19 18.230 0.359 -3.900 139 HB3 LYS 19 HB3 LYS 19 19.954 0.314 -4.288 140 HG2 LYS 19 HG2 LYS 19 19.399 0.109 -6.713 141 HG3 LYS 19 HG3 LYS 19 17.699 0.144 -6.298 142 HD2 LYS 19 HD2 LYS 19 17.936 2.357 -5.256 143 HD3 LYS 19 HD3 LYS 19 19.635 2.429 -5.759 144 HE2 LYS 19 HE2 LYS 19 18.922 2.248 -8.161 145 HE3 LYS 19 HE3 LYS 19 17.210 2.151 -7.622 146 HZ1 LYS 19 HZ1 LYS 19 19.019 4.474 -7.408 147 HZ2 LYS 19 HZ2 LYS 19 17.627 4.403 -6.532 148 HZ3 LYS 19 HZ3 LYS 19 17.586 4.411 -8.198 149 H LYS 20 H LYS 20 17.347 -1.600 -2.420 150 HA LYS 20 HA LYS 20 19.364 -1.717 -0.335 151 HB2 LYS 20 HB2 LYS 20 16.358 -2.309 -0.296 152 HB3 LYS 20 HB3 LYS 20 17.378 -2.286 1.154 153 HG2 LYS 20 HG2 LYS 20 17.880 0.069 0.764 154 HG3 LYS 20 HG3 LYS 20 16.925 0.043 -0.747 155 HD2 LYS 20 HD2 LYS 20 14.917 -0.575 0.581 156 HD3 LYS 20 HD3 LYS 20 15.932 -0.468 2.046 157 HE2 LYS 20 HE2 LYS 20 16.421 1.906 1.548 158 HE3 LYS 20 HE3 LYS 20 15.418 1.786 0.070 159 HZ1 LYS 20 HZ1 LYS 20 14.154 2.818 1.859 160 HZ2 LYS 20 HZ2 LYS 20 14.465 1.554 2.909 161 HZ3 LYS 20 HZ3 LYS 20 13.501 1.314 1.559 162 H ASN 21 H ASN 21 17.582 -4.164 -2.170 163 HA ASN 21 HA ASN 21 18.601 -6.189 -0.276 164 HB2 ASN 21 HB2 ASN 21 16.133 -6.074 -0.971 165 HB3 ASN 21 HB3 ASN 21 16.669 -6.637 -2.560 166 HD21 ASN 21 HD21 ASN 21 15.787 -8.703 -2.579 167 HD22 ASN 21 HD22 ASN 21 16.182 -9.956 -1.427 168 H GLN 22 H GLN 22 19.792 -4.713 -2.842 169 HA GLN 22 HA GLN 22 21.294 -5.217 -4.520 170 HB2 GLN 22 HB2 GLN 22 21.968 -7.516 -2.653 171 HB3 GLN 22 HB3 GLN 22 22.908 -7.017 -4.075 172 HG2 GLN 22 HG2 GLN 22 23.222 -4.791 -3.129 173 HG3 GLN 22 HG3 GLN 22 22.278 -5.299 -1.695 174 HE21 GLN 22 HE21 GLN 22 25.326 -4.876 -2.910 175 HE22 GLN 22 HE22 GLN 22 26.198 -5.871 -1.768 176 H ALA 23 H ALA 23 18.733 -5.886 -5.085 177 HA ALA 23 HA ALA 23 18.959 -8.605 -6.307 178 HB1 ALA 23 HB1 ALA 23 17.245 -8.560 -4.572 179 HB2 ALA 23 HB2 ALA 23 16.435 -8.555 -6.182 180 HB3 ALA 23 HB3 ALA 23 16.571 -7.046 -5.239 181 H HIS 24 H HIS 24 18.318 -8.805 -8.465 182 HA HIS 24 HA HIS 24 18.376 -6.174 -9.859 183 HB2 HIS 24 HB2 HIS 24 19.308 -7.254 -11.715 184 HB3 HIS 24 HB3 HIS 24 20.143 -7.857 -10.271 185 HD1 HIS 24 HD1 HIS 24 18.244 -8.921 -13.265 186 HD2 HIS 24 HD2 HIS 24 19.331 -10.607 -9.584 187 HE1 HIS 24 HE1 HIS 24 17.977 -11.430 -13.494 188 HE2 HIS 24 HE2 HIS 24 18.697 -12.417 -11.282 189 H LYS 25 H LYS 25 16.215 -8.796 -9.218 190 HA LYS 25 HA LYS 25 14.226 -7.719 -11.114 191 HB2 LYS 25 HB2 LYS 25 15.759 -9.311 -12.326 192 HB3 LYS 25 HB3 LYS 25 15.189 -10.581 -11.213 193 HG2 LYS 25 HG2 LYS 25 13.417 -9.050 -13.120 194 HG3 LYS 25 HG3 LYS 25 14.300 -10.520 -13.531 195 HD2 LYS 25 HD2 LYS 25 13.124 -11.738 -11.774 196 HD3 LYS 25 HD3 LYS 25 12.183 -10.318 -11.368 197 HE2 LYS 25 HE2 LYS 25 10.863 -11.690 -12.745 198 HE3 LYS 25 HE3 LYS 25 11.366 -10.214 -13.620 199 HZ1 LYS 25 HZ1 LYS 25 13.126 -11.635 -14.649 200 HZ2 LYS 25 HZ2 LYS 25 11.575 -12.033 -15.081 201 HZ3 LYS 25 HZ3 LYS 25 12.377 -12.949 -13.976 202 H ILE 26 H ILE 26 12.148 -7.901 -10.296 203 HA ILE 26 HA ILE 26 11.922 -9.414 -7.786 204 HB ILE 26 HB ILE 26 10.117 -7.241 -8.986 205 HG12 ILE 26 HG12 ILE 26 12.040 -6.981 -6.653 206 HG13 ILE 26 HG13 ILE 26 12.438 -6.499 -8.311 207 HG21 ILE 26 HG21 ILE 26 9.069 -7.159 -6.731 208 HG22 ILE 26 HG22 ILE 26 8.892 -8.798 -7.460 209 HG23 ILE 26 HG23 ILE 26 10.129 -8.480 -6.174 210 HD11 ILE 26 HD11 ILE 26 10.578 -4.857 -8.287 211 HD12 ILE 26 HD12 ILE 26 11.851 -4.527 -7.087 212 HD13 ILE 26 HD13 ILE 26 10.304 -5.229 -6.576 213 H GLU 27 H GLU 27 10.761 -11.281 -7.749 214 HA GLU 27 HA GLU 27 9.202 -12.063 -10.130 215 HB2 GLU 27 HB2 GLU 27 9.734 -13.447 -7.512 216 HB3 GLU 27 HB3 GLU 27 8.778 -14.106 -8.843 217 HG2 GLU 27 HG2 GLU 27 11.680 -13.361 -9.008 218 HG3 GLU 27 HG3 GLU 27 11.083 -14.992 -8.817 219 H ARG 28 H ARG 28 8.510 -11.037 -6.811 220 HA ARG 28 HA ARG 28 5.637 -10.875 -7.584 221 HB2 ARG 28 HB2 ARG 28 6.061 -13.148 -6.566 222 HB3 ARG 28 HB3 ARG 28 6.589 -12.335 -5.093 223 HG2 ARG 28 HG2 ARG 28 4.336 -11.288 -4.846 224 HG3 ARG 28 HG3 ARG 28 3.785 -12.199 -6.256 225 HD2 ARG 28 HD2 ARG 28 4.837 -13.431 -3.693 226 HD3 ARG 28 HD3 ARG 28 3.123 -13.362 -4.159 227 HE ARG 28 HE ARG 28 5.209 -15.165 -5.152 228 HH11 ARG 28 HH11 ARG 28 4.684 -16.784 -6.531 229 HH12 ARG 28 HH12 ARG 28 3.072 -16.860 -7.210 230 HH21 ARG 28 HH21 ARG 28 1.962 -13.885 -5.839 231 HH22 ARG 28 HH22 ARG 28 1.608 -15.199 -6.946 232 H VAL 29 H VAL 29 4.597 -9.228 -6.593 233 HA VAL 29 HA VAL 29 5.944 -7.846 -4.308 234 HB VAL 29 HB VAL 29 4.349 -6.587 -6.591 235 HG11 VAL 29 HG11 VAL 29 3.942 -5.400 -4.463 236 HG12 VAL 29 HG12 VAL 29 5.653 -5.405 -4.088 237 HG13 VAL 29 HG13 VAL 29 5.033 -4.443 -5.416 238 HG21 VAL 29 HG21 VAL 29 6.713 -7.231 -7.201 239 HG22 VAL 29 HG22 VAL 29 7.280 -6.161 -5.862 240 HG23 VAL 29 HG23 VAL 29 6.362 -5.438 -7.246 241 H VAL 30 H VAL 30 4.592 -7.894 -2.482 242 HA VAL 30 HA VAL 30 1.724 -8.207 -3.194 243 HB VAL 30 HB VAL 30 1.339 -9.381 -1.051 244 HG11 VAL 30 HG11 VAL 30 2.251 -10.544 -3.291 245 HG12 VAL 30 HG12 VAL 30 1.940 -11.483 -1.829 246 HG13 VAL 30 HG13 VAL 30 3.595 -10.978 -2.241 247 HG21 VAL 30 HG21 VAL 30 4.348 -9.335 -0.742 248 HG22 VAL 30 HG22 VAL 30 3.203 -10.215 0.308 249 HG23 VAL 30 HG23 VAL 30 3.192 -8.451 0.293 250 H VAL 31 H VAL 31 0.344 -6.744 -2.274 251 HA VAL 31 HA VAL 31 1.622 -4.585 -0.640 252 HB VAL 31 HB VAL 31 0.235 -2.931 -1.881 253 HG11 VAL 31 HG11 VAL 31 2.535 -3.526 -2.719 254 HG12 VAL 31 HG12 VAL 31 1.780 -4.599 -3.919 255 HG13 VAL 31 HG13 VAL 31 1.488 -2.860 -3.958 256 HG21 VAL 31 HG21 VAL 31 -0.545 -5.117 -3.827 257 HG22 VAL 31 HG22 VAL 31 -1.096 -3.466 -3.811 258 HG23 VAL 31 HG23 VAL 31 -1.607 -4.522 -2.548 259 H GLY 32 H GLY 32 0.013 -3.279 0.545 260 HA2 GLY 32 HA2 GLY 32 -2.402 -4.888 1.150 261 HA3 GLY 32 HA3 GLY 32 -1.507 -4.017 2.442 262 H ILE 33 H ILE 33 -4.269 -3.783 0.915 263 HA ILE 33 HA ILE 33 -3.993 -0.818 0.421 264 HB ILE 33 HB ILE 33 -5.924 -2.753 -0.975 265 HG12 ILE 33 HG12 ILE 33 -3.669 -0.962 -2.043 266 HG13 ILE 33 HG13 ILE 33 -3.511 -2.714 -1.821 267 HG21 ILE 33 HG21 ILE 33 -6.859 -0.457 -0.390 268 HG22 ILE 33 HG22 ILE 33 -5.573 0.273 -1.370 269 HG23 ILE 33 HG23 ILE 33 -6.802 -0.808 -2.108 270 HD11 ILE 33 HD11 ILE 33 -5.532 -2.840 -3.461 271 HD12 ILE 33 HD12 ILE 33 -5.128 -1.156 -3.839 272 HD13 ILE 33 HD13 ILE 33 -3.919 -2.428 -4.079 273 H GLY 34 H GLY 34 -5.215 0.337 1.844 274 HA2 GLY 34 HA2 GLY 34 -6.450 -1.060 3.989 275 HA3 GLY 34 HA3 GLY 34 -6.585 0.675 3.688 276 H GLU 35 H GLU 35 -8.620 -1.369 4.463 277 HA GLU 35 HA GLU 35 -10.305 -1.925 2.219 278 HB2 GLU 35 HB2 GLU 35 -11.811 -2.763 3.840 279 HB3 GLU 35 HB3 GLU 35 -10.171 -3.218 4.272 280 HG2 GLU 35 HG2 GLU 35 -10.110 -1.415 5.952 281 HG3 GLU 35 HG3 GLU 35 -11.762 -1.011 5.548 282 H ARG 36 H ARG 36 -9.790 0.918 4.037 283 HA ARG 36 HA ARG 36 -12.179 2.164 2.739 284 HB2 ARG 36 HB2 ARG 36 -10.822 3.039 5.304 285 HB3 ARG 36 HB3 ARG 36 -12.146 3.891 4.498 286 HG2 ARG 36 HG2 ARG 36 -13.597 1.935 4.719 287 HG3 ARG 36 HG3 ARG 36 -12.304 1.033 5.530 288 HD2 ARG 36 HD2 ARG 36 -12.403 2.624 7.425 289 HD3 ARG 36 HD3 ARG 36 -13.643 3.585 6.605 290 HE ARG 36 HE ARG 36 -15.253 1.935 7.065 291 HH11 ARG 36 HH11 ARG 36 -15.997 -0.008 7.930 292 HH12 ARG 36 HH12 ARG 36 -14.846 -1.154 8.611 293 HH21 ARG 36 HH21 ARG 36 -12.091 0.736 7.967 294 HH22 ARG 36 HH22 ARG 36 -12.697 -0.804 8.474 295 H SER 37 H SER 37 -9.531 1.715 1.597 296 HA SER 37 HA SER 37 -8.150 4.307 1.535 297 HB2 SER 37 HB2 SER 37 -6.852 3.330 -0.294 298 HB3 SER 37 HB3 SER 37 -7.017 2.176 1.044 299 HG SER 37 HG SER 37 -8.393 0.971 -0.107 300 H ALA 38 H ALA 38 -7.889 5.648 -0.164 301 HA ALA 38 HA ALA 38 -10.317 6.383 -1.594 302 HB1 ALA 38 HB1 ALA 38 -7.484 7.482 -1.722 303 HB2 ALA 38 HB2 ALA 38 -8.739 8.015 -0.545 304 HB3 ALA 38 HB3 ALA 38 -8.962 8.275 -2.318 305 H MET 39 H MET 39 -8.549 3.819 -2.157 306 HA MET 39 HA MET 39 -8.111 4.274 -5.050 307 HB2 MET 39 HB2 MET 39 -6.587 2.516 -3.100 308 HB3 MET 39 HB3 MET 39 -6.292 2.608 -4.856 309 HG2 MET 39 HG2 MET 39 -5.638 4.944 -4.649 310 HG3 MET 39 HG3 MET 39 -5.993 4.903 -2.932 311 HE1 MET 39 HE1 MET 39 -2.504 2.673 -5.007 312 HE2 MET 39 HE2 MET 39 -4.218 2.283 -5.343 313 HE3 MET 39 HE3 MET 39 -3.559 3.875 -5.751 314 H ASP 40 H ASP 40 -8.841 2.864 -6.528 315 HA ASP 40 HA ASP 40 -10.589 0.652 -5.494 316 HB2 ASP 40 HB2 ASP 40 -10.069 1.719 -8.318 317 HB3 ASP 40 HB3 ASP 40 -11.109 0.326 -7.976 318 H LYS 41 H LYS 41 -10.088 -1.527 -5.711 319 HA LYS 41 HA LYS 41 -7.282 -2.166 -5.963 320 HB2 LYS 41 HB2 LYS 41 -9.825 -3.826 -5.746 321 HB3 LYS 41 HB3 LYS 41 -8.185 -4.515 -5.664 322 HG2 LYS 41 HG2 LYS 41 -7.716 -3.197 -3.600 323 HG3 LYS 41 HG3 LYS 41 -9.308 -2.441 -3.709 324 HD2 LYS 41 HD2 LYS 41 -9.501 -4.126 -2.077 325 HD3 LYS 41 HD3 LYS 41 -10.384 -4.614 -3.534 326 HE2 LYS 41 HE2 LYS 41 -8.524 -6.094 -4.199 327 HE3 LYS 41 HE3 LYS 41 -7.665 -5.656 -2.712 328 HZ1 LYS 41 HZ1 LYS 41 -10.369 -6.846 -2.755 329 HZ2 LYS 41 HZ2 LYS 41 -9.410 -6.588 -1.413 330 HZ3 LYS 41 HZ3 LYS 41 -8.972 -7.719 -2.528 331 H SER 42 H SER 42 -10.084 -2.390 -8.088 332 HA SER 42 HA SER 42 -8.820 -4.259 -9.910 333 HB2 SER 42 HB2 SER 42 -11.269 -4.052 -9.645 334 HB3 SER 42 HB3 SER 42 -11.148 -2.442 -10.374 335 HG SER 42 HG SER 42 -11.647 -3.939 -11.982 336 H LEU 43 H LEU 43 -9.185 -0.713 -9.753 337 HA LEU 43 HA LEU 43 -7.910 -0.375 -12.291 338 HB2 LEU 43 HB2 LEU 43 -8.358 1.591 -10.030 339 HB3 LEU 43 HB3 LEU 43 -7.760 2.026 -11.611 340 HG LEU 43 HG LEU 43 -10.458 0.826 -11.086 341 HD11 LEU 43 HD11 LEU 43 -11.324 3.142 -11.567 342 HD12 LEU 43 HD12 LEU 43 -9.652 3.699 -11.687 343 HD13 LEU 43 HD13 LEU 43 -10.296 3.113 -10.137 344 HD21 LEU 43 HD21 LEU 43 -9.224 1.919 -13.625 345 HD22 LEU 43 HD22 LEU 43 -10.974 1.615 -13.452 346 HD23 LEU 43 HD23 LEU 43 -9.804 0.273 -13.290 347 H PHE 44 H PHE 44 -6.887 -0.717 -8.948 348 HA PHE 44 HA PHE 44 -4.238 0.286 -9.362 349 HB2 PHE 44 HB2 PHE 44 -5.212 -0.075 -7.128 350 HB3 PHE 44 HB3 PHE 44 -5.140 -1.813 -7.412 351 HD1 PHE 44 HD1 PHE 44 -3.074 1.206 -7.092 352 HD2 PHE 44 HD2 PHE 44 -3.130 -3.055 -7.085 353 HE1 PHE 44 HE1 PHE 44 -0.701 1.130 -6.223 354 HE2 PHE 44 HE2 PHE 44 -0.813 -3.074 -6.245 355 HZ PHE 44 HZ PHE 44 0.396 -1.048 -5.767 356 H VAL 45 H VAL 45 -5.567 -3.074 -9.730 357 HA VAL 45 HA VAL 45 -2.896 -4.018 -10.314 358 HB VAL 45 HB VAL 45 -3.917 -6.180 -11.000 359 HG11 VAL 45 HG11 VAL 45 -5.183 -4.995 -8.496 360 HG12 VAL 45 HG12 VAL 45 -3.578 -5.747 -8.655 361 HG13 VAL 45 HG13 VAL 45 -5.036 -6.733 -8.878 362 HG21 VAL 45 HG21 VAL 45 -6.365 -6.543 -10.936 363 HG22 VAL 45 HG22 VAL 45 -5.924 -5.322 -12.156 364 HG23 VAL 45 HG23 VAL 45 -6.630 -4.812 -10.619 365 H SER 46 H SER 46 -5.477 -2.511 -12.158 366 HA SER 46 HA SER 46 -4.565 -3.468 -14.735 367 HB2 SER 46 HB2 SER 46 -6.828 -2.550 -14.364 368 HB3 SER 46 HB3 SER 46 -6.120 -0.982 -14.049 369 HG SER 46 HG SER 46 -6.287 -2.414 -16.466 370 H ALA 47 H ALA 47 -3.999 -0.650 -12.668 371 HA ALA 47 HA ALA 47 -2.306 0.732 -14.545 372 HB1 ALA 47 HB1 ALA 47 -1.636 2.011 -12.467 373 HB2 ALA 47 HB2 ALA 47 -2.673 0.915 -11.558 374 HB3 ALA 47 HB3 ALA 47 -3.357 1.980 -12.801 375 H PHE 48 H PHE 48 -1.679 -1.716 -12.040 376 HA PHE 48 HA PHE 48 1.192 -1.394 -12.091 377 HB2 PHE 48 HB2 PHE 48 -0.126 -2.668 -10.321 378 HB3 PHE 48 HB3 PHE 48 -0.306 -3.986 -11.526 379 HD1 PHE 48 HD1 PHE 48 2.039 -2.129 -9.355 380 HD2 PHE 48 HD2 PHE 48 1.633 -5.443 -12.089 381 HE1 PHE 48 HE1 PHE 48 4.210 -3.036 -8.538 382 HE2 PHE 48 HE2 PHE 48 3.854 -6.370 -11.290 383 HZ PHE 48 HZ PHE 48 5.144 -5.140 -9.499 384 H GLU 49 H GLU 49 -1.024 -3.381 -14.013 385 HA GLU 49 HA GLU 49 1.116 -4.718 -15.383 386 HB2 GLU 49 HB2 GLU 49 -1.777 -4.215 -16.222 387 HB3 GLU 49 HB3 GLU 49 -0.637 -5.225 -17.098 388 HG2 GLU 49 HG2 GLU 49 -0.380 -6.627 -15.090 389 HG3 GLU 49 HG3 GLU 49 -1.588 -5.691 -14.230 390 H THR 50 H THR 50 -0.573 -1.605 -15.817 391 HA THR 50 HA THR 50 0.443 -1.099 -18.461 392 HB THR 50 HB THR 50 -0.412 0.903 -16.327 393 HG1 THR 50 HG1 THR 50 -2.115 -0.521 -16.734 394 HG21 THR 50 HG21 THR 50 -0.340 1.139 -19.327 395 HG22 THR 50 HG22 THR 50 0.752 1.989 -18.191 396 HG23 THR 50 HG23 THR 50 -0.988 2.358 -18.217 397 H PHE 51 H PHE 51 1.617 -0.125 -15.185 398 HA PHE 51 HA PHE 51 3.925 1.205 -16.346 399 HB2 PHE 51 HB2 PHE 51 3.135 0.855 -13.521 400 HB3 PHE 51 HB3 PHE 51 4.602 1.650 -14.049 401 HD1 PHE 51 HD1 PHE 51 0.976 2.143 -13.644 402 HD2 PHE 51 HD2 PHE 51 4.543 3.640 -15.485 403 HE1 PHE 51 HE1 PHE 51 -0.120 4.299 -13.985 404 HE2 PHE 51 HE2 PHE 51 3.440 5.831 -15.779 405 HZ PHE 51 HZ PHE 51 1.094 6.187 -15.036 406 H ARG 52 H ARG 52 3.495 -2.056 -15.033 407 HA ARG 52 HA ARG 52 6.152 -2.257 -14.040 408 HB2 ARG 52 HB2 ARG 52 5.865 -4.623 -14.103 409 HB3 ARG 52 HB3 ARG 52 4.339 -3.862 -13.557 410 HG2 ARG 52 HG2 ARG 52 3.447 -4.214 -15.860 411 HG3 ARG 52 HG3 ARG 52 4.965 -5.034 -16.337 412 HD2 ARG 52 HD2 ARG 52 4.676 -6.642 -14.500 413 HD3 ARG 52 HD3 ARG 52 3.077 -5.925 -14.125 414 HE ARG 52 HE ARG 52 3.050 -6.577 -16.852 415 HH11 ARG 52 HH11 ARG 52 2.211 -8.483 -17.670 416 HH12 ARG 52 HH12 ARG 52 2.137 -9.890 -16.671 417 HH21 ARG 52 HH21 ARG 52 3.464 -8.411 -13.868 418 HH22 ARG 52 HH22 ARG 52 2.819 -9.848 -14.559 419 H GLU 53 H GLU 53 5.071 -2.340 -17.396 420 HA GLU 53 HA GLU 53 7.436 -3.648 -18.449 421 HB2 GLU 53 HB2 GLU 53 6.799 -2.855 -20.579 422 HB3 GLU 53 HB3 GLU 53 5.307 -3.369 -19.730 423 HG2 GLU 53 HG2 GLU 53 4.784 -1.030 -19.231 424 HG3 GLU 53 HG3 GLU 53 6.251 -0.518 -20.092 425 H GLU 54 H GLU 54 6.925 -0.402 -17.218 426 HA GLU 54 HA GLU 54 8.919 0.996 -18.702 427 HB2 GLU 54 HB2 GLU 54 7.885 1.366 -15.859 428 HB3 GLU 54 HB3 GLU 54 8.875 2.524 -16.726 429 HG2 GLU 54 HG2 GLU 54 6.171 1.689 -17.687 430 HG3 GLU 54 HG3 GLU 54 6.438 3.025 -16.602 431 H SER 55 H SER 55 9.223 -1.401 -16.160 432 HA SER 55 HA SER 55 12.166 -0.938 -16.246 433 HB2 SER 55 HB2 SER 55 11.371 0.260 -14.273 434 HB3 SER 55 HB3 SER 55 10.572 -1.228 -13.682 435 HG SER 55 HG SER 55 12.838 -0.531 -12.983 436 H LEU 56 H LEU 56 13.401 -2.665 -16.274 437 HA LEU 56 HA LEU 56 12.326 -5.260 -16.767 438 HB2 LEU 56 HB2 LEU 56 14.510 -4.429 -17.504 439 HB3 LEU 56 HB3 LEU 56 15.045 -4.453 -15.854 440 HG LEU 56 HG LEU 56 16.014 -6.197 -17.289 441 HD11 LEU 56 HD11 LEU 56 15.931 -7.979 -15.698 442 HD12 LEU 56 HD12 LEU 56 14.340 -7.493 -15.071 443 HD13 LEU 56 HD13 LEU 56 15.764 -6.484 -14.798 444 HD21 LEU 56 HD21 LEU 56 13.961 -6.582 -18.670 445 HD22 LEU 56 HD22 LEU 56 13.225 -7.419 -17.262 446 HD23 LEU 56 HD23 LEU 56 14.691 -8.088 -18.040 447 H VAL 57 H VAL 57 13.424 -3.608 -13.908 448 HA VAL 57 HA VAL 57 13.738 -5.780 -12.151 449 HB VAL 57 HB VAL 57 12.802 -2.924 -11.550 450 HG11 VAL 57 HG11 VAL 57 14.181 -4.887 -9.700 451 HG12 VAL 57 HG12 VAL 57 12.451 -4.514 -9.665 452 HG13 VAL 57 HG13 VAL 57 13.612 -3.227 -9.292 453 HG21 VAL 57 HG21 VAL 57 15.551 -4.166 -11.647 454 HG22 VAL 57 HG22 VAL 57 15.206 -2.542 -11.037 455 HG23 VAL 57 HG23 VAL 57 14.948 -2.918 -12.751 456 H CYS 58 H CYS 58 10.769 -3.973 -13.084 457 HA CYS 58 HA CYS 58 9.226 -5.763 -11.266 458 HB2 CYS 58 HB2 CYS 58 8.520 -3.098 -12.551 459 HB3 CYS 58 HB3 CYS 58 7.456 -4.024 -11.488 460 HG CYS 58 HG CYS 58 9.253 -4.177 -9.532 461 H LYS 59 H LYS 59 9.970 -5.608 -14.545 462 HA LYS 59 HA LYS 59 7.514 -5.570 -15.895 463 HB2 LYS 59 HB2 LYS 59 9.790 -5.457 -16.898 464 HB3 LYS 59 HB3 LYS 59 9.983 -7.203 -16.592 465 HG2 LYS 59 HG2 LYS 59 8.137 -7.679 -18.136 466 HG3 LYS 59 HG3 LYS 59 7.893 -5.927 -18.413 467 HD2 LYS 59 HD2 LYS 59 9.177 -6.768 -20.256 468 HD3 LYS 59 HD3 LYS 59 10.265 -5.782 -19.209 469 HE2 LYS 59 HE2 LYS 59 11.478 -7.741 -19.940 470 HE3 LYS 59 HE3 LYS 59 11.168 -7.854 -18.185 471 HZ1 LYS 59 HZ1 LYS 59 9.587 -9.292 -20.259 472 HZ2 LYS 59 HZ2 LYS 59 9.451 -9.492 -18.608 473 HZ3 LYS 59 HZ3 LYS 59 10.824 -9.959 -19.401 474 H ASP 60 H ASP 60 9.065 -8.439 -14.469 475 HA ASP 60 HA ASP 60 6.705 -9.916 -15.540 476 HB2 ASP 60 HB2 ASP 60 9.318 -10.906 -14.347 477 HB3 ASP 60 HB3 ASP 60 8.034 -11.923 -14.982 478 H ALA 61 H ALA 61 7.205 -8.168 -12.802 479 HA ALA 61 HA ALA 61 6.865 -10.097 -10.704 480 HB1 ALA 61 HB1 ALA 61 6.236 -8.066 -9.338 481 HB2 ALA 61 HB2 ALA 61 7.739 -7.837 -10.276 482 HB3 ALA 61 HB3 ALA 61 6.214 -7.122 -10.848 483 H ILE 62 H ILE 62 5.209 -10.850 -9.605 484 HA ILE 62 HA ILE 62 2.473 -10.596 -10.786 485 HB ILE 62 HB ILE 62 3.539 -12.348 -8.539 486 HG12 ILE 62 HG12 ILE 62 2.856 -13.161 -11.367 487 HG13 ILE 62 HG13 ILE 62 4.500 -12.764 -10.871 488 HG21 ILE 62 HG21 ILE 62 1.095 -11.936 -8.393 489 HG22 ILE 62 HG22 ILE 62 1.425 -13.604 -8.836 490 HG23 ILE 62 HG23 ILE 62 0.909 -12.490 -10.077 491 HD11 ILE 62 HD11 ILE 62 2.780 -15.082 -9.961 492 HD12 ILE 62 HD12 ILE 62 4.280 -14.588 -9.127 493 HD13 ILE 62 HD13 ILE 62 4.333 -15.120 -10.813 494 H LEU 63 H LEU 63 1.014 -9.261 -9.821 495 HA LEU 63 HA LEU 63 1.864 -7.977 -7.276 496 HB2 LEU 63 HB2 LEU 63 1.492 -6.626 -9.257 497 HB3 LEU 63 HB3 LEU 63 -0.157 -7.178 -9.339 498 HG LEU 63 HG LEU 63 0.098 -4.872 -8.521 499 HD11 LEU 63 HD11 LEU 63 -1.742 -6.448 -7.639 500 HD12 LEU 63 HD12 LEU 63 -1.496 -4.928 -6.857 501 HD13 LEU 63 HD13 LEU 63 -0.856 -6.403 -6.113 502 HD21 LEU 63 HD21 LEU 63 1.175 -4.353 -6.391 503 HD22 LEU 63 HD22 LEU 63 2.329 -5.249 -7.386 504 HD23 LEU 63 HD23 LEU 63 1.479 -6.065 -6.050 505 H ASP 64 H ASP 64 0.804 -8.599 -5.434 506 HA ASP 64 HA ASP 64 -1.976 -9.747 -5.691 507 HB2 ASP 64 HB2 ASP 64 0.237 -10.439 -3.781 508 HB3 ASP 64 HB3 ASP 64 -1.392 -11.044 -3.615 509 H ILE 65 H ILE 65 -3.437 -9.123 -4.065 510 HA ILE 65 HA ILE 65 -2.534 -6.810 -2.410 511 HB ILE 65 HB ILE 65 -5.292 -7.275 -3.639 512 HG12 ILE 65 HG12 ILE 65 -3.337 -5.063 -4.356 513 HG13 ILE 65 HG13 ILE 65 -3.511 -6.555 -5.291 514 HG21 ILE 65 HG21 ILE 65 -5.740 -4.892 -2.693 515 HG22 ILE 65 HG22 ILE 65 -4.186 -4.997 -1.885 516 HG23 ILE 65 HG23 ILE 65 -5.464 -6.148 -1.464 517 HD11 ILE 65 HD11 ILE 65 -4.729 -4.656 -6.305 518 HD12 ILE 65 HD12 ILE 65 -5.823 -6.015 -5.860 519 HD13 ILE 65 HD13 ILE 65 -5.736 -4.530 -4.864 520 H VAL 66 H VAL 66 -2.824 -6.938 -0.336 521 HA VAL 66 HA VAL 66 -4.596 -9.114 0.764 522 HB VAL 66 HB VAL 66 -2.183 -7.606 1.974 523 HG11 VAL 66 HG11 VAL 66 -2.423 -9.347 3.811 524 HG12 VAL 66 HG12 VAL 66 -3.675 -8.139 3.792 525 HG13 VAL 66 HG13 VAL 66 -4.002 -9.763 3.138 526 HG21 VAL 66 HG21 VAL 66 -1.615 -9.330 0.174 527 HG22 VAL 66 HG22 VAL 66 -2.436 -10.563 1.175 528 HG23 VAL 66 HG23 VAL 66 -0.940 -9.729 1.755 529 H ASP 67 H ASP 67 -6.377 -8.327 1.842 530 HA ASP 67 HA ASP 67 -6.852 -5.457 1.824 531 HB2 ASP 67 HB2 ASP 67 -8.350 -7.757 3.149 532 HB3 ASP 67 HB3 ASP 67 -8.963 -6.093 3.138 533 H GLU 68 H GLU 68 -6.633 -4.005 3.601 534 HA GLU 68 HA GLU 68 -5.824 -5.227 6.184 535 HB2 GLU 68 HB2 GLU 68 -4.389 -2.931 4.825 536 HB3 GLU 68 HB3 GLU 68 -4.174 -3.495 6.523 537 HG2 GLU 68 HG2 GLU 68 -3.515 -5.671 5.673 538 HG3 GLU 68 HG3 GLU 68 -3.514 -5.047 4.014 539 H LYS 69 H LYS 69 -6.249 -3.981 8.081 540 HA LYS 69 HA LYS 69 -8.506 -2.054 7.864 541 HB2 LYS 69 HB2 LYS 69 -6.805 -3.187 10.118 542 HB3 LYS 69 HB3 LYS 69 -7.907 -1.842 10.376 543 HG2 LYS 69 HG2 LYS 69 -9.065 -3.828 11.066 544 HG3 LYS 69 HG3 LYS 69 -9.786 -3.216 9.573 545 HD2 LYS 69 HD2 LYS 69 -8.614 -4.953 8.276 546 HD3 LYS 69 HD3 LYS 69 -7.889 -5.562 9.773 547 HE2 LYS 69 HE2 LYS 69 -10.109 -6.036 10.666 548 HE3 LYS 69 HE3 LYS 69 -10.836 -5.458 9.157 549 HZ1 LYS 69 HZ1 LYS 69 -9.536 -7.186 8.047 550 HZ2 LYS 69 HZ2 LYS 69 -10.642 -7.761 9.082 551 HZ3 LYS 69 HZ3 LYS 69 -9.071 -7.764 9.500 552 H VAL 70 H VAL 70 -8.379 0.090 8.292 553 HA VAL 70 HA VAL 70 -5.901 1.367 7.577 554 HB VAL 70 HB VAL 70 -7.241 3.453 7.678 555 HG11 VAL 70 HG11 VAL 70 -8.686 2.967 5.890 556 HG12 VAL 70 HG12 VAL 70 -8.931 1.297 6.411 557 HG13 VAL 70 HG13 VAL 70 -7.379 1.796 5.743 558 HG21 VAL 70 HG21 VAL 70 -9.620 3.432 8.260 559 HG22 VAL 70 HG22 VAL 70 -9.571 1.731 8.673 560 HG23 VAL 70 HG23 VAL 70 -8.667 2.892 9.665 561 H GLU 71 H GLU 71 -4.882 3.071 8.852 562 HA GLU 71 HA GLU 71 -5.045 2.556 11.815 563 HB2 GLU 71 HB2 GLU 71 -2.817 2.385 10.704 564 HB3 GLU 71 HB3 GLU 71 -2.935 4.092 10.247 565 HG2 GLU 71 HG2 GLU 71 -3.022 4.724 12.606 566 HG3 GLU 71 HG3 GLU 71 -2.908 3.033 13.081 567 H LEU 72 H LEU 72 -5.633 4.276 13.178 568 HA LEU 72 HA LEU 72 -6.546 6.745 11.779 569 HB2 LEU 72 HB2 LEU 72 -7.790 5.371 14.175 570 HB3 LEU 72 HB3 LEU 72 -8.310 6.888 13.484 571 HG LEU 72 HG LEU 72 -8.506 4.241 12.046 572 HD11 LEU 72 HD11 LEU 72 -9.987 4.412 14.070 573 HD12 LEU 72 HD12 LEU 72 -10.871 4.445 12.547 574 HD13 LEU 72 HD13 LEU 72 -10.643 5.937 13.447 575 HD21 LEU 72 HD21 LEU 72 -9.576 7.005 11.341 576 HD22 LEU 72 HD22 LEU 72 -8.362 6.113 10.499 577 HD23 LEU 72 HD23 LEU 72 -10.028 5.498 10.499 578 H GLU 73 H GLU 73 -6.413 8.598 12.675 579 HA GLU 73 HA GLU 73 -4.957 8.881 15.303 580 HB2 GLU 73 HB2 GLU 73 -3.455 9.520 13.434 581 HB3 GLU 73 HB3 GLU 73 -4.738 10.546 12.741 582 HG2 GLU 73 HG2 GLU 73 -4.573 12.039 14.712 583 HG3 GLU 73 HG3 GLU 73 -3.235 11.057 15.324 584 H CYS 74 H CYS 74 -5.809 10.558 16.541 585 HA CYS 74 HA CYS 74 -8.564 11.489 15.676 586 HB2 CYS 74 HB2 CYS 74 -8.328 10.061 17.809 587 HB3 CYS 74 HB3 CYS 74 -7.194 11.286 18.446 588 H LYS 75 H LYS 75 -8.808 13.755 15.516 589 HA LYS 75 HA LYS 75 -6.442 15.359 15.132 590 HB2 LYS 75 HB2 LYS 75 -9.402 16.248 15.578 591 HB3 LYS 75 HB3 LYS 75 -8.020 17.220 15.023 592 HG2 LYS 75 HG2 LYS 75 -7.696 15.559 13.135 593 HG3 LYS 75 HG3 LYS 75 -9.245 14.830 13.583 594 HD2 LYS 75 HD2 LYS 75 -9.726 16.294 11.812 595 HD3 LYS 75 HD3 LYS 75 -10.278 17.134 13.297 596 HE2 LYS 75 HE2 LYS 75 -8.101 18.352 13.344 597 HE3 LYS 75 HE3 LYS 75 -7.584 17.550 11.865 598 HZ1 LYS 75 HZ1 LYS 75 -8.440 19.743 11.389 599 HZ2 LYS 75 HZ2 LYS 75 -9.881 19.402 12.062 600 HZ3 LYS 75 HZ3 LYS 75 -9.427 18.650 10.661 601 H ASP 76 H ASP 76 -5.817 17.322 16.724 602 HA ASP 76 HA ASP 76 -4.294 15.805 18.181 603 HB2 ASP 76 HB2 ASP 76 -5.327 18.582 19.147 604 HB3 ASP 76 HB3 ASP 76 -3.825 17.828 19.630 605 H CYS 77 H CYS 77 -4.915 14.292 19.245 606 HA CYS 77 HA CYS 77 -5.583 14.189 22.032 607 HB2 CYS 77 HB2 CYS 77 -7.771 14.159 21.020 608 HB3 CYS 77 HB3 CYS 77 -7.245 12.956 19.830 609 H SER 78 H SER 78 -3.315 13.247 22.193 610 HA SER 78 HA SER 78 -2.547 11.563 19.936 611 HB2 SER 78 HB2 SER 78 -0.848 12.981 21.126 612 HB3 SER 78 HB3 SER 78 -1.108 11.998 22.600 613 HG SER 78 HG SER 78 0.684 11.207 21.430 614 H HIS 79 H HIS 79 -3.565 9.880 19.703 615 HA HIS 79 HA HIS 79 -3.440 7.649 21.580 616 HB2 HIS 79 HB2 HIS 79 -6.044 8.698 20.549 617 HB3 HIS 79 HB3 HIS 79 -5.822 7.090 21.270 618 HD1 HIS 79 HD1 HIS 79 -6.145 10.645 22.269 619 HD2 HIS 79 HD2 HIS 79 -5.108 6.953 23.987 620 HE1 HIS 79 HE1 HIS 79 -6.126 10.965 24.837 621 HE2 HIS 79 HE2 HIS 79 -5.518 8.750 25.830 622 H VAL 80 H VAL 80 -2.124 8.063 18.846 623 HA VAL 80 HA VAL 80 -3.986 7.017 16.916 624 HB VAL 80 HB VAL 80 -0.923 7.246 16.803 625 HG11 VAL 80 HG11 VAL 80 -1.850 5.841 14.995 626 HG12 VAL 80 HG12 VAL 80 -2.885 7.172 14.495 627 HG13 VAL 80 HG13 VAL 80 -1.102 7.301 14.401 628 HG21 VAL 80 HG21 VAL 80 -1.633 9.376 15.460 629 HG22 VAL 80 HG22 VAL 80 -3.179 9.224 16.413 630 HG23 VAL 80 HG23 VAL 80 -1.587 9.405 17.233 631 H PHE 81 H PHE 81 -4.314 5.099 16.057 632 HA PHE 81 HA PHE 81 -2.923 2.659 17.026 633 HB2 PHE 81 HB2 PHE 81 -4.911 1.848 18.123 634 HB3 PHE 81 HB3 PHE 81 -4.543 3.453 18.825 635 HD1 PHE 81 HD1 PHE 81 -5.814 5.520 17.781 636 HD2 PHE 81 HD2 PHE 81 -7.105 1.439 17.257 637 HE1 PHE 81 HE1 PHE 81 -8.096 6.327 17.269 638 HE2 PHE 81 HE2 PHE 81 -9.376 2.277 16.711 639 HZ PHE 81 HZ PHE 81 -9.855 4.686 16.724 640 H LYS 82 H LYS 82 -4.158 0.642 16.197 641 HA LYS 82 HA LYS 82 -5.589 1.327 13.663 642 HB2 LYS 82 HB2 LYS 82 -4.192 -1.298 14.363 643 HB3 LYS 82 HB3 LYS 82 -5.103 -0.951 12.915 644 HG2 LYS 82 HG2 LYS 82 -3.454 0.725 12.297 645 HG3 LYS 82 HG3 LYS 82 -2.505 0.274 13.657 646 HD2 LYS 82 HD2 LYS 82 -2.456 -2.045 12.767 647 HD3 LYS 82 HD3 LYS 82 -3.378 -1.460 11.376 648 HE2 LYS 82 HE2 LYS 82 -1.081 -1.669 10.690 649 HE3 LYS 82 HE3 LYS 82 -1.470 0.054 10.828 650 HZ1 LYS 82 HZ1 LYS 82 -0.471 -0.003 13.073 651 HZ2 LYS 82 HZ2 LYS 82 0.614 -0.372 11.867 652 HZ3 LYS 82 HZ3 LYS 82 -0.021 -1.584 12.812 653 HA PRO 83 HA PRO 83 -8.958 -0.519 15.968 654 HB2 PRO 83 HB2 PRO 83 -10.980 -0.074 14.185 655 HB3 PRO 83 HB3 PRO 83 -10.305 1.249 15.253 656 HG2 PRO 83 HG2 PRO 83 -9.608 0.553 12.392 657 HG3 PRO 83 HG3 PRO 83 -10.108 2.132 13.102 658 HD2 PRO 83 HD2 PRO 83 -7.514 1.540 12.743 659 HD3 PRO 83 HD3 PRO 83 -8.062 2.436 14.176 660 H ASN 84 H ASN 84 -10.029 -2.513 15.798 661 HA ASN 84 HA ASN 84 -9.886 -4.059 13.272 662 HB2 ASN 84 HB2 ASN 84 -8.663 -4.894 15.923 663 HB3 ASN 84 HB3 ASN 84 -9.067 -6.066 14.667 664 HD21 ASN 84 HD21 ASN 84 -6.574 -4.543 15.917 665 HD22 ASN 84 HD22 ASN 84 -5.557 -4.428 14.499 666 H ALA 85 H ALA 85 -11.883 -2.665 14.617 667 HA ALA 85 HA ALA 85 -13.836 -4.764 15.204 668 HB1 ALA 85 HB1 ALA 85 -13.257 -2.574 17.155 669 HB2 ALA 85 HB2 ALA 85 -12.857 -4.238 17.418 670 HB3 ALA 85 HB3 ALA 85 -14.559 -3.728 17.281 671 H LEU 86 H LEU 86 -16.011 -3.598 15.495 672 HA LEU 86 HA LEU 86 -16.381 -2.066 13.111 673 HB2 LEU 86 HB2 LEU 86 -18.244 -2.560 15.425 674 HB3 LEU 86 HB3 LEU 86 -18.715 -1.994 13.822 675 HG LEU 86 HG LEU 86 -17.453 -4.704 14.404 676 HD11 LEU 86 HD11 LEU 86 -19.679 -4.489 15.416 677 HD12 LEU 86 HD12 LEU 86 -19.777 -5.558 14.004 678 HD13 LEU 86 HD13 LEU 86 -20.360 -3.882 13.887 679 HD21 LEU 86 HD21 LEU 86 -17.042 -4.022 12.124 680 HD22 LEU 86 HD22 LEU 86 -18.312 -5.326 12.173 681 HD23 LEU 86 HD23 LEU 86 -18.789 -3.629 11.914 682 H ASP 87 H ASP 87 -15.058 -0.944 15.864 683 HA ASP 87 HA ASP 87 -16.591 1.480 16.318 684 HB2 ASP 87 HB2 ASP 87 -14.958 1.927 18.026 685 HB3 ASP 87 HB3 ASP 87 -15.352 0.215 18.093 686 H TYR 88 H TYR 88 -15.205 0.964 13.618 687 HA TYR 88 HA TYR 88 -13.021 2.740 13.262 688 HB2 TYR 88 HB2 TYR 88 -15.281 2.026 11.325 689 HB3 TYR 88 HB3 TYR 88 -13.767 2.768 10.860 690 HD1 TYR 88 HD1 TYR 88 -15.537 -0.285 11.439 691 HD2 TYR 88 HD2 TYR 88 -11.607 1.359 11.260 692 HE1 TYR 88 HE1 TYR 88 -14.628 -2.557 11.038 693 HE2 TYR 88 HE2 TYR 88 -10.651 -0.950 10.962 694 HH TYR 88 HH TYR 88 -12.751 -3.847 10.736 695 H GLY 89 H GLY 89 -12.875 4.853 12.610 696 HA2 GLY 89 HA2 GLY 89 -13.598 6.909 11.842 697 HA3 GLY 89 HA3 GLY 89 -15.276 6.455 12.134 698 H VAL 90 H VAL 90 -13.667 5.796 15.017 699 HA VAL 90 HA VAL 90 -13.784 8.605 15.938 700 HB VAL 90 HB VAL 90 -14.812 7.820 18.076 701 HG11 VAL 90 HG11 VAL 90 -16.136 8.752 16.124 702 HG12 VAL 90 HG12 VAL 90 -17.060 7.809 17.304 703 HG13 VAL 90 HG13 VAL 90 -16.619 7.096 15.731 704 HG21 VAL 90 HG21 VAL 90 -14.147 5.439 17.926 705 HG22 VAL 90 HG22 VAL 90 -15.312 5.172 16.610 706 HG23 VAL 90 HG23 VAL 90 -15.854 5.621 18.280 707 H CYS 91 H CYS 91 -12.589 8.724 18.064 708 HA CYS 91 HA CYS 91 -10.036 7.300 17.962 709 HB2 CYS 91 HB2 CYS 91 -10.410 9.707 18.673 710 HB3 CYS 91 HB3 CYS 91 -11.293 9.105 20.112 711 H GLU 92 H GLU 92 -9.304 5.898 19.796 712 HA GLU 92 HA GLU 92 -11.522 4.181 20.695 713 HB2 GLU 92 HB2 GLU 92 -9.931 2.520 21.200 714 HB3 GLU 92 HB3 GLU 92 -9.633 3.126 19.582 715 HG2 GLU 92 HG2 GLU 92 -7.745 4.470 20.403 716 HG3 GLU 92 HG3 GLU 92 -8.079 3.879 22.057 717 H LYS 93 H LYS 93 -9.261 6.512 22.172 718 HA LYS 93 HA LYS 93 -10.290 5.584 24.812 719 HB2 LYS 93 HB2 LYS 93 -7.777 7.107 24.264 720 HB3 LYS 93 HB3 LYS 93 -8.406 6.694 25.850 721 HG2 LYS 93 HG2 LYS 93 -8.449 4.346 25.257 722 HG3 LYS 93 HG3 LYS 93 -7.607 4.734 23.740 723 HD2 LYS 93 HD2 LYS 93 -5.718 5.584 25.010 724 HD3 LYS 93 HD3 LYS 93 -6.593 5.164 26.515 725 HE2 LYS 93 HE2 LYS 93 -6.667 2.843 25.789 726 HE3 LYS 93 HE3 LYS 93 -5.760 3.260 24.327 727 HZ1 LYS 93 HZ1 LYS 93 -4.728 3.709 27.065 728 HZ2 LYS 93 HZ2 LYS 93 -3.902 3.856 25.630 729 HZ3 LYS 93 HZ3 LYS 93 -4.403 2.376 26.168 730 H CYS 94 H CYS 94 -10.803 8.033 22.620 731 HA CYS 94 HA CYS 94 -12.628 9.165 24.638 732 HB2 CYS 94 HB2 CYS 94 -12.558 11.394 23.728 733 HB3 CYS 94 HB3 CYS 94 -10.885 11.019 24.052 734 H HIS 95 H HIS 95 -14.658 9.657 23.052 735 HA HIS 95 HA HIS 95 -14.276 7.848 20.651 736 HB2 HIS 95 HB2 HIS 95 -16.744 8.132 22.455 737 HB3 HIS 95 HB3 HIS 95 -16.688 7.248 20.927 738 HD1 HIS 95 HD1 HIS 95 -17.327 5.718 23.626 739 HD2 HIS 95 HD2 HIS 95 -13.619 5.918 21.670 740 HE1 HIS 95 HE1 HIS 95 -16.026 3.658 24.320 741 HE2 HIS 95 HE2 HIS 95 -13.794 3.769 23.118 742 H SER 96 H SER 96 -13.694 10.612 20.905 743 HA SER 96 HA SER 96 -15.932 12.157 19.902 744 HB2 SER 96 HB2 SER 96 -14.015 13.220 21.077 745 HB3 SER 96 HB3 SER 96 -12.937 12.651 19.779 746 HG SER 96 HG SER 96 -14.000 13.966 18.301 747 H LYS 97 H LYS 97 -16.486 12.632 17.863 748 HA LYS 97 HA LYS 97 -15.370 11.030 15.682 749 HB2 LYS 97 HB2 LYS 97 -17.408 13.267 15.722 750 HB3 LYS 97 HB3 LYS 97 -16.996 12.312 14.298 751 HG2 LYS 97 HG2 LYS 97 -17.699 10.279 15.567 752 HG3 LYS 97 HG3 LYS 97 -18.186 11.295 16.914 753 HD2 LYS 97 HD2 LYS 97 -20.127 10.673 15.678 754 HD3 LYS 97 HD3 LYS 97 -19.806 12.373 15.281 755 HE2 LYS 97 HE2 LYS 97 -18.713 11.652 13.185 756 HE3 LYS 97 HE3 LYS 97 -19.028 9.976 13.599 757 HZ1 LYS 97 HZ1 LYS 97 -21.064 12.024 13.127 758 HZ2 LYS 97 HZ2 LYS 97 -21.362 10.455 13.492 759 HZ3 LYS 97 HZ3 LYS 97 -20.619 10.855 12.072 760 H ASN 98 H ASN 98 -14.633 12.141 13.765 761 HA ASN 98 HA ASN 98 -13.425 13.592 12.521 762 HB2 ASN 98 HB2 ASN 98 -13.038 15.383 14.889 763 HB3 ASN 98 HB3 ASN 98 -12.429 15.657 13.296 764 HD21 ASN 98 HD21 ASN 98 -14.545 16.768 15.279 765 HD22 ASN 98 HD22 ASN 98 -15.885 17.148 14.218 766 H VAL 99 H VAL 99 -12.305 11.747 12.491 767 HA VAL 99 HA VAL 99 -9.668 11.913 13.787 768 HB VAL 99 HB VAL 99 -9.567 9.390 13.720 769 HG11 VAL 99 HG11 VAL 99 -10.985 8.977 15.642 770 HG12 VAL 99 HG12 VAL 99 -10.469 10.673 15.782 771 HG13 VAL 99 HG13 VAL 99 -12.096 10.243 15.198 772 HG21 VAL 99 HG21 VAL 99 -12.455 9.564 12.829 773 HG22 VAL 99 HG22 VAL 99 -11.570 8.081 13.213 774 HG23 VAL 99 HG23 VAL 99 -11.066 9.111 11.823 775 H ILE 100 H ILE 100 -8.030 10.870 12.299 776 HA ILE 100 HA ILE 100 -8.933 10.999 9.445 777 HB ILE 100 HB ILE 100 -6.782 11.963 8.800 778 HG12 ILE 100 HG12 ILE 100 -6.284 12.388 11.787 779 HG13 ILE 100 HG13 ILE 100 -5.528 11.103 10.833 780 HG21 ILE 100 HG21 ILE 100 -8.124 13.692 10.943 781 HG22 ILE 100 HG22 ILE 100 -8.789 13.433 9.340 782 HG23 ILE 100 HG23 ILE 100 -7.231 14.294 9.509 783 HD11 ILE 100 HD11 ILE 100 -5.105 14.067 10.445 784 HD12 ILE 100 HD12 ILE 100 -4.505 12.797 9.366 785 HD13 ILE 100 HD13 ILE 100 -3.963 12.867 11.047 786 H ILE 101 H ILE 101 -7.572 9.796 8.006 787 HA ILE 101 HA ILE 101 -6.656 7.309 9.337 788 HB ILE 101 HB ILE 101 -7.194 7.911 6.384 789 HG12 ILE 101 HG12 ILE 101 -8.829 6.263 8.299 790 HG13 ILE 101 HG13 ILE 101 -9.240 7.905 7.861 791 HG21 ILE 101 HG21 ILE 101 -6.471 5.332 7.812 792 HG22 ILE 101 HG22 ILE 101 -7.038 5.421 6.151 793 HG23 ILE 101 HG23 ILE 101 -5.510 6.194 6.598 794 HD11 ILE 101 HD11 ILE 101 -9.180 6.990 5.364 795 HD12 ILE 101 HD12 ILE 101 -9.302 5.400 6.117 796 HD13 ILE 101 HD13 ILE 101 -10.585 6.567 6.379 797 H THR 102 H THR 102 -4.518 7.035 9.602 798 HA THR 102 HA THR 102 -2.721 8.960 8.219 799 HB THR 102 HB THR 102 -1.027 8.108 9.778 800 HG1 THR 102 HG1 THR 102 -1.489 6.502 11.222 801 HG21 THR 102 HG21 THR 102 -3.533 8.593 11.316 802 HG22 THR 102 HG22 THR 102 -2.700 9.855 10.445 803 HG23 THR 102 HG23 THR 102 -1.870 8.984 11.758 804 H GLN 103 H GLN 103 -3.432 5.504 8.472 805 HA GLN 103 HA GLN 103 -1.753 5.074 6.067 806 HB2 GLN 103 HB2 GLN 103 -1.832 3.274 8.472 807 HB3 GLN 103 HB3 GLN 103 -1.040 2.918 6.949 808 HG2 GLN 103 HG2 GLN 103 0.466 4.781 7.297 809 HG3 GLN 103 HG3 GLN 103 -0.273 5.121 8.882 810 HE21 GLN 103 HE21 GLN 103 1.876 4.821 9.700 811 HE22 GLN 103 HE22 GLN 103 2.485 3.205 9.991 812 H GLY 104 H GLY 104 -2.479 3.474 4.704 813 HA2 GLY 104 HA2 GLY 104 -3.948 1.804 3.932 814 HA3 GLY 104 HA3 GLY 104 -4.952 1.988 5.395 815 H ASN 105 H ASN 105 -4.336 5.119 4.337 816 HA ASN 105 HA ASN 105 -6.954 5.324 3.116 817 HB2 ASN 105 HB2 ASN 105 -6.500 7.655 2.982 818 HB3 ASN 105 HB3 ASN 105 -6.004 7.119 4.553 819 HD21 ASN 105 HD21 ASN 105 -5.254 9.232 2.321 820 HD22 ASN 105 HD22 ASN 105 -3.506 9.211 2.411 821 H GLU 106 H GLU 106 -3.775 4.644 2.317 822 HA GLU 106 HA GLU 106 -4.321 4.522 -0.590 823 HB2 GLU 106 HB2 GLU 106 -1.938 5.871 0.767 824 HB3 GLU 106 HB3 GLU 106 -2.013 5.451 -0.918 825 HG2 GLU 106 HG2 GLU 106 -3.922 6.929 -1.233 826 HG3 GLU 106 HG3 GLU 106 -3.824 7.403 0.466 827 H MET 107 H MET 107 -2.541 3.257 -1.556 828 HA MET 107 HA MET 107 -2.277 0.702 -0.211 829 HB2 MET 107 HB2 MET 107 -2.577 1.084 -2.646 830 HB3 MET 107 HB3 MET 107 -1.042 1.910 -2.738 831 HG2 MET 107 HG2 MET 107 -1.368 -1.050 -2.100 832 HG3 MET 107 HG3 MET 107 -1.072 -0.327 -3.696 833 HE1 MET 107 HE1 MET 107 2.471 0.889 -3.586 834 HE2 MET 107 HE2 MET 107 1.051 1.892 -3.306 835 HE3 MET 107 HE3 MET 107 1.027 0.639 -4.557 836 H ARG 108 H ARG 108 -0.504 -0.433 0.510 837 HA ARG 108 HA ARG 108 2.065 1.039 0.949 838 HB2 ARG 108 HB2 ARG 108 0.568 1.047 3.036 839 HB3 ARG 108 HB3 ARG 108 0.583 -0.730 2.953 840 HG2 ARG 108 HG2 ARG 108 3.057 -0.674 3.295 841 HG3 ARG 108 HG3 ARG 108 2.964 1.054 3.524 842 HD2 ARG 108 HD2 ARG 108 1.355 0.684 5.429 843 HD3 ARG 108 HD3 ARG 108 1.541 -1.062 5.201 844 HE ARG 108 HE ARG 108 3.615 -0.980 6.219 845 HH11 ARG 108 HH11 ARG 108 5.137 -0.069 7.552 846 HH12 ARG 108 HH12 ARG 108 5.204 1.631 7.828 847 HH21 ARG 108 HH21 ARG 108 2.566 2.361 5.671 848 HH22 ARG 108 HH22 ARG 108 3.774 2.976 6.782 849 H LEU 109 H LEU 109 3.910 -0.315 0.643 850 HA LEU 109 HA LEU 109 3.483 -2.911 -0.590 851 HB2 LEU 109 HB2 LEU 109 5.937 -1.513 0.469 852 HB3 LEU 109 HB3 LEU 109 5.994 -3.117 -0.220 853 HG LEU 109 HG LEU 109 5.160 -0.656 -1.772 854 HD11 LEU 109 HD11 LEU 109 7.411 -0.864 -2.708 855 HD12 LEU 109 HD12 LEU 109 7.771 -2.170 -1.601 856 HD13 LEU 109 HD13 LEU 109 7.473 -0.537 -0.979 857 HD21 LEU 109 HD21 LEU 109 5.799 -3.572 -2.461 858 HD22 LEU 109 HD22 LEU 109 5.767 -2.253 -3.668 859 HD23 LEU 109 HD23 LEU 109 4.316 -2.675 -2.814 860 H LEU 110 H LEU 110 3.567 -4.992 0.359 861 HA LEU 110 HA LEU 110 4.130 -4.878 3.340 862 HB2 LEU 110 HB2 LEU 110 2.778 -7.064 1.684 863 HB3 LEU 110 HB3 LEU 110 3.023 -7.107 3.454 864 HG LEU 110 HG LEU 110 1.318 -5.039 1.965 865 HD11 LEU 110 HD11 LEU 110 -0.553 -6.352 2.996 866 HD12 LEU 110 HD12 LEU 110 0.579 -7.581 3.494 867 HD13 LEU 110 HD13 LEU 110 0.346 -7.239 1.775 868 HD21 LEU 110 HD21 LEU 110 1.595 -5.609 4.922 869 HD22 LEU 110 HD22 LEU 110 0.455 -4.481 4.215 870 HD23 LEU 110 HD23 LEU 110 2.163 -4.173 4.073 871 H SER 111 H SER 111 4.966 -6.860 0.404 872 HA SER 111 HA SER 111 7.653 -7.342 1.508 873 HB2 SER 111 HB2 SER 111 6.247 -9.130 2.554 874 HB3 SER 111 HB3 SER 111 5.698 -9.641 0.961 875 HG SER 111 HG SER 111 8.295 -9.744 2.063 876 H LEU 112 H LEU 112 9.069 -8.212 -0.138 877 HA LEU 112 HA LEU 112 7.877 -8.442 -2.883 878 HB2 LEU 112 HB2 LEU 112 10.549 -7.205 -2.138 879 HB3 LEU 112 HB3 LEU 112 10.055 -7.592 -3.762 880 HG LEU 112 HG LEU 112 8.262 -5.839 -3.591 881 HD11 LEU 112 HD11 LEU 112 9.543 -5.282 -0.877 882 HD12 LEU 112 HD12 LEU 112 8.621 -4.101 -1.796 883 HD13 LEU 112 HD13 LEU 112 7.825 -5.548 -1.220 884 HD21 LEU 112 HD21 LEU 112 9.854 -4.068 -3.848 885 HD22 LEU 112 HD22 LEU 112 11.058 -4.970 -2.955 886 HD23 LEU 112 HD23 LEU 112 10.535 -5.545 -4.506 887 H GLU 113 H GLU 113 8.505 -10.312 -3.975 888 HA GLU 113 HA GLU 113 10.599 -12.027 -2.619 889 HB2 GLU 113 HB2 GLU 113 8.355 -13.107 -3.071 890 HB3 GLU 113 HB3 GLU 113 8.645 -12.871 -4.803 891 HG2 GLU 113 HG2 GLU 113 9.296 -15.088 -4.365 892 HG3 GLU 113 HG3 GLU 113 10.770 -14.136 -4.511 893 H MET 114 H MET 114 12.632 -12.051 -3.641 894 HA MET 114 HA MET 114 12.807 -10.667 -6.311 895 HB2 MET 114 HB2 MET 114 14.361 -10.132 -3.741 896 HB3 MET 114 HB3 MET 114 14.584 -9.251 -5.264 897 HG2 MET 114 HG2 MET 114 12.195 -8.425 -5.029 898 HG3 MET 114 HG3 MET 114 12.043 -9.381 -3.553 899 HE1 MET 114 HE1 MET 114 13.964 -5.393 -3.803 900 HE2 MET 114 HE2 MET 114 12.826 -6.159 -4.909 901 HE3 MET 114 HE3 MET 114 14.515 -6.697 -4.850 902 H LEU 115 H LEU 115 14.728 -10.987 -7.508 903 HA LEU 115 HA LEU 115 16.293 -13.394 -6.710 904 HB2 LEU 115 HB2 LEU 115 16.090 -12.001 -9.355 905 HB3 LEU 115 HB3 LEU 115 17.059 -13.448 -9.025 906 HG LEU 115 HG LEU 115 14.077 -13.287 -8.938 907 HD11 LEU 115 HD11 LEU 115 15.949 -14.387 -11.011 908 HD12 LEU 115 HD12 LEU 115 14.880 -12.978 -11.179 909 HD13 LEU 115 HD13 LEU 115 14.172 -14.576 -11.022 910 HD21 LEU 115 HD21 LEU 115 14.231 -15.817 -8.925 911 HD22 LEU 115 HD22 LEU 115 14.707 -15.026 -7.462 912 HD23 LEU 115 HD23 LEU 115 15.958 -15.597 -8.571 913 H ALA 116 H ALA 116 18.369 -13.180 -6.076 914 HA ALA 116 HA ALA 116 19.398 -10.562 -5.617 915 HB1 ALA 116 HB1 ALA 116 21.399 -11.716 -4.811 916 HB2 ALA 116 HB2 ALA 116 20.873 -13.229 -5.592 917 HB3 ALA 116 HB3 ALA 116 19.941 -12.576 -4.230 918 H GLU 117 H GLU 117 21.195 -9.465 -6.513 919 HA GLU 117 HA GLU 117 21.510 -9.749 -9.391 920 HB2 GLU 117 HB2 GLU 117 22.896 -7.860 -9.193 921 HB3 GLU 117 HB3 GLU 117 21.561 -7.629 -8.082 922 HG2 GLU 117 HG2 GLU 117 23.083 -8.324 -6.219 923 HG3 GLU 117 HG3 GLU 117 24.428 -8.377 -7.379 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -1.623 9.990 -4.494 2 H2 MET 1 H2 MET 1 -1.139 8.463 -4.131 3 H3 MET 1 H3 MET 1 -1.140 9.635 -2.971 4 HA MET 1 HA MET 1 -2.979 8.215 -2.650 5 HB2 MET 1 HB2 MET 1 -3.042 10.675 -2.165 6 HB3 MET 1 HB3 MET 1 -3.878 10.929 -3.681 7 HG2 MET 1 HG2 MET 1 -5.431 10.947 -1.913 8 HG3 MET 1 HG3 MET 1 -5.711 9.475 -2.881 9 HE1 MET 1 HE1 MET 1 -3.921 9.800 1.382 10 HE2 MET 1 HE2 MET 1 -4.595 11.146 0.432 11 HE3 MET 1 HE3 MET 1 -3.004 10.440 0.025 12 H HIS 2 H HIS 2 -3.084 9.879 -5.827 13 HA HIS 2 HA HIS 2 -5.417 8.498 -6.875 14 HB2 HIS 2 HB2 HIS 2 -3.083 9.941 -8.224 15 HB3 HIS 2 HB3 HIS 2 -4.503 9.398 -9.059 16 HD1 HIS 2 HD1 HIS 2 -4.744 12.068 -9.671 17 HD2 HIS 2 HD2 HIS 2 -5.441 10.996 -5.680 18 HE1 HIS 2 HE1 HIS 2 -6.024 13.984 -8.610 19 HE2 HIS 2 HE2 HIS 2 -6.410 13.344 -6.187 20 H GLU 3 H GLU 3 -5.433 6.652 -8.479 21 HA GLU 3 HA GLU 3 -3.628 4.644 -7.669 22 HB2 GLU 3 HB2 GLU 3 -5.292 4.667 -10.220 23 HB3 GLU 3 HB3 GLU 3 -4.568 3.236 -9.498 24 HG2 GLU 3 HG2 GLU 3 -6.721 4.969 -8.290 25 HG3 GLU 3 HG3 GLU 3 -6.956 3.346 -8.939 26 H TYR 4 H TYR 4 -3.676 6.457 -10.740 27 HA TYR 4 HA TYR 4 -1.414 4.807 -11.673 28 HB2 TYR 4 HB2 TYR 4 -2.643 7.435 -12.636 29 HB3 TYR 4 HB3 TYR 4 -1.272 6.628 -13.452 30 HD1 TYR 4 HD1 TYR 4 -4.945 6.288 -12.644 31 HD2 TYR 4 HD2 TYR 4 -1.573 4.588 -14.782 32 HE1 TYR 4 HE1 TYR 4 -6.445 4.720 -13.856 33 HE2 TYR 4 HE2 TYR 4 -3.085 3.005 -15.904 34 HH TYR 4 HH TYR 4 -5.272 2.252 -16.160 35 H SER 5 H SER 5 -1.660 7.738 -9.666 36 HA SER 5 HA SER 5 1.147 8.389 -9.939 37 HB2 SER 5 HB2 SER 5 -0.490 10.038 -9.174 38 HB3 SER 5 HB3 SER 5 -0.762 9.098 -7.714 39 HG SER 5 HG SER 5 0.741 10.891 -7.506 40 H VAL 6 H VAL 6 -0.734 6.340 -7.717 41 HA VAL 6 HA VAL 6 1.515 5.888 -5.927 42 HB VAL 6 HB VAL 6 -1.045 4.243 -6.387 43 HG11 VAL 6 HG11 VAL 6 1.094 4.025 -4.233 44 HG12 VAL 6 HG12 VAL 6 0.600 2.760 -5.388 45 HG13 VAL 6 HG13 VAL 6 -0.510 3.274 -4.110 46 HG21 VAL 6 HG21 VAL 6 -1.993 5.406 -4.548 47 HG22 VAL 6 HG22 VAL 6 -0.399 5.975 -3.976 48 HG23 VAL 6 HG23 VAL 6 -1.169 6.666 -5.434 49 H VAL 7 H VAL 7 0.058 4.165 -8.773 50 HA VAL 7 HA VAL 7 1.992 2.003 -8.522 51 HB VAL 7 HB VAL 7 0.278 2.789 -10.921 52 HG11 VAL 7 HG11 VAL 7 0.767 0.528 -11.671 53 HG12 VAL 7 HG12 VAL 7 1.834 0.244 -10.266 54 HG13 VAL 7 HG13 VAL 7 2.261 1.429 -11.531 55 HG21 VAL 7 HG21 VAL 7 -0.121 0.691 -8.684 56 HG22 VAL 7 HG22 VAL 7 -1.114 0.830 -10.175 57 HG23 VAL 7 HG23 VAL 7 -1.151 2.134 -8.984 58 H SER 8 H SER 8 1.993 5.143 -10.220 59 HA SER 8 HA SER 8 4.378 4.581 -11.701 60 HB2 SER 8 HB2 SER 8 3.024 6.643 -12.162 61 HB3 SER 8 HB3 SER 8 3.473 7.282 -10.586 62 HG SER 8 HG SER 8 5.452 7.696 -11.358 63 H SER 9 H SER 9 3.799 5.802 -8.373 64 HA SER 9 HA SER 9 6.657 6.146 -7.962 65 HB2 SER 9 HB2 SER 9 6.086 6.585 -5.621 66 HB3 SER 9 HB3 SER 9 4.934 7.444 -6.692 67 HG SER 9 HG SER 9 3.921 5.061 -6.212 68 H LEU 10 H LEU 10 4.437 3.501 -7.704 69 HA LEU 10 HA LEU 10 5.893 1.784 -5.904 70 HB2 LEU 10 HB2 LEU 10 3.583 1.396 -6.631 71 HB3 LEU 10 HB3 LEU 10 4.122 1.139 -8.276 72 HG LEU 10 HG LEU 10 5.387 -0.820 -7.669 73 HD11 LEU 10 HD11 LEU 10 5.208 -1.886 -5.493 74 HD12 LEU 10 HD12 LEU 10 4.235 -0.544 -4.883 75 HD13 LEU 10 HD13 LEU 10 5.909 -0.247 -5.308 76 HD21 LEU 10 HD21 LEU 10 3.445 -2.282 -7.148 77 HD22 LEU 10 HD22 LEU 10 3.007 -1.068 -8.364 78 HD23 LEU 10 HD23 LEU 10 2.482 -0.853 -6.649 79 H ILE 11 H ILE 11 6.220 2.537 -9.396 80 HA ILE 11 HA ILE 11 8.006 0.392 -9.866 81 HB ILE 11 HB ILE 11 8.041 3.134 -11.235 82 HG12 ILE 11 HG12 ILE 11 5.837 2.107 -11.411 83 HG13 ILE 11 HG13 ILE 11 6.651 2.064 -12.953 84 HG21 ILE 11 HG21 ILE 11 9.212 0.437 -12.038 85 HG22 ILE 11 HG22 ILE 11 10.113 1.914 -11.681 86 HG23 ILE 11 HG23 ILE 11 9.095 1.833 -13.120 87 HD11 ILE 11 HD11 ILE 11 5.474 0.014 -12.661 88 HD12 ILE 11 HD12 ILE 11 6.197 -0.261 -11.069 89 HD13 ILE 11 HD13 ILE 11 7.197 -0.319 -12.534 90 H ALA 12 H ALA 12 8.622 3.780 -8.810 91 HA ALA 12 HA ALA 12 11.454 3.408 -8.801 92 HB1 ALA 12 HB1 ALA 12 9.720 5.422 -7.282 93 HB2 ALA 12 HB2 ALA 12 10.365 5.628 -8.905 94 HB3 ALA 12 HB3 ALA 12 11.516 5.496 -7.535 95 H LEU 13 H LEU 13 8.879 2.938 -6.422 96 HA LEU 13 HA LEU 13 10.559 2.494 -4.160 97 HB2 LEU 13 HB2 LEU 13 8.202 2.961 -4.114 98 HB3 LEU 13 HB3 LEU 13 7.880 1.374 -4.758 99 HG LEU 13 HG LEU 13 8.773 0.363 -2.745 100 HD11 LEU 13 HD11 LEU 13 9.102 3.254 -1.854 101 HD12 LEU 13 HD12 LEU 13 10.397 2.039 -2.062 102 HD13 LEU 13 HD13 LEU 13 9.193 1.815 -0.735 103 HD21 LEU 13 HD21 LEU 13 6.709 2.485 -2.201 104 HD22 LEU 13 HD22 LEU 13 6.994 0.978 -1.258 105 HD23 LEU 13 HD23 LEU 13 6.402 0.921 -2.938 106 H CYS 14 H CYS 14 9.298 0.360 -6.736 107 HA CYS 14 HA CYS 14 10.365 -2.090 -5.541 108 HB2 CYS 14 HB2 CYS 14 9.642 -1.325 -8.414 109 HB3 CYS 14 HB3 CYS 14 10.069 -2.961 -7.865 110 HG CYS 14 HG CYS 14 7.537 -1.087 -6.885 111 H GLU 15 H GLU 15 11.597 0.327 -7.937 112 HA GLU 15 HA GLU 15 14.022 -1.137 -8.331 113 HB2 GLU 15 HB2 GLU 15 13.413 1.806 -8.701 114 HB3 GLU 15 HB3 GLU 15 14.895 1.045 -9.220 115 HG2 GLU 15 HG2 GLU 15 13.708 -0.459 -10.727 116 HG3 GLU 15 HG3 GLU 15 12.161 0.297 -10.292 117 H GLU 16 H GLU 16 13.132 1.323 -5.855 118 HA GLU 16 HA GLU 16 15.853 1.527 -5.046 119 HB2 GLU 16 HB2 GLU 16 15.275 2.719 -3.169 120 HB3 GLU 16 HB3 GLU 16 14.197 3.225 -4.511 121 HG2 GLU 16 HG2 GLU 16 12.477 1.759 -3.518 122 HG3 GLU 16 HG3 GLU 16 13.567 1.343 -2.206 123 H HIS 17 H HIS 17 13.284 -0.721 -4.248 124 HA HIS 17 HA HIS 17 14.741 -1.964 -2.087 125 HB2 HIS 17 HB2 HIS 17 12.484 -2.946 -3.829 126 HB3 HIS 17 HB3 HIS 17 13.203 -3.882 -2.536 127 HD1 HIS 17 HD1 HIS 17 13.209 -2.919 -0.042 128 HD2 HIS 17 HD2 HIS 17 10.474 -1.244 -2.752 129 HE1 HIS 17 HE1 HIS 17 11.486 -1.713 1.346 130 HE2 HIS 17 HE2 HIS 17 9.758 -0.817 -0.283 131 H ALA 18 H ALA 18 14.628 -2.292 -5.610 132 HA ALA 18 HA ALA 18 16.140 -4.675 -5.742 133 HB1 ALA 18 HB1 ALA 18 16.540 -4.163 -8.032 134 HB2 ALA 18 HB2 ALA 18 14.902 -3.579 -7.622 135 HB3 ALA 18 HB3 ALA 18 16.292 -2.480 -7.760 136 H LYS 19 H LYS 19 17.093 -1.311 -5.481 137 HA LYS 19 HA LYS 19 19.963 -1.842 -5.673 138 HB2 LYS 19 HB2 LYS 19 18.397 0.447 -4.417 139 HB3 LYS 19 HB3 LYS 19 20.143 0.460 -4.714 140 HG2 LYS 19 HG2 LYS 19 19.690 0.233 -7.166 141 HG3 LYS 19 HG3 LYS 19 17.942 0.164 -6.836 142 HD2 LYS 19 HD2 LYS 19 18.007 2.357 -5.773 143 HD3 LYS 19 HD3 LYS 19 19.737 2.532 -6.183 144 HE2 LYS 19 HE2 LYS 19 19.070 2.208 -8.645 145 HE3 LYS 19 HE3 LYS 19 17.419 2.081 -8.093 146 HZ1 LYS 19 HZ1 LYS 19 17.752 4.372 -7.106 147 HZ2 LYS 19 HZ2 LYS 19 17.593 4.252 -8.758 148 HZ3 LYS 19 HZ3 LYS 19 19.079 4.472 -8.066 149 H LYS 20 H LYS 20 17.670 -1.689 -2.982 150 HA LYS 20 HA LYS 20 19.705 -1.743 -0.905 151 HB2 LYS 20 HB2 LYS 20 16.747 -2.377 -0.908 152 HB3 LYS 20 HB3 LYS 20 17.789 -2.364 0.549 153 HG2 LYS 20 HG2 LYS 20 18.250 0.010 0.176 154 HG3 LYS 20 HG3 LYS 20 17.182 -0.014 -1.271 155 HD2 LYS 20 HD2 LYS 20 15.293 -0.738 0.122 156 HD3 LYS 20 HD3 LYS 20 16.340 -0.541 1.554 157 HE2 LYS 20 HE2 LYS 20 16.702 1.840 1.034 158 HE3 LYS 20 HE3 LYS 20 15.679 1.645 -0.431 159 HZ1 LYS 20 HZ1 LYS 20 14.626 2.639 1.635 160 HZ2 LYS 20 HZ2 LYS 20 14.758 1.174 2.369 161 HZ3 LYS 20 HZ3 LYS 20 13.803 1.339 1.033 162 H ASN 21 H ASN 21 18.033 -4.082 -2.791 163 HA ASN 21 HA ASN 21 18.977 -6.300 -1.039 164 HB2 ASN 21 HB2 ASN 21 16.587 -5.985 -1.811 165 HB3 ASN 21 HB3 ASN 21 17.128 -6.408 -3.455 166 HD21 ASN 21 HD21 ASN 21 15.746 -7.565 -0.677 167 HD22 ASN 21 HD22 ASN 21 16.088 -9.251 -0.921 168 H GLN 22 H GLN 22 19.855 -4.559 -3.793 169 HA GLN 22 HA GLN 22 21.432 -4.891 -5.428 170 HB2 GLN 22 HB2 GLN 22 22.555 -6.894 -3.436 171 HB3 GLN 22 HB3 GLN 22 23.401 -6.255 -4.862 172 HG2 GLN 22 HG2 GLN 22 23.199 -3.990 -3.972 173 HG3 GLN 22 HG3 GLN 22 22.398 -4.610 -2.540 174 HE21 GLN 22 HE21 GLN 22 25.246 -3.516 -3.725 175 HE22 GLN 22 HE22 GLN 22 26.319 -4.328 -2.609 176 H ALA 23 H ALA 23 19.022 -5.876 -5.803 177 HA ALA 23 HA ALA 23 19.384 -8.571 -7.020 178 HB1 ALA 23 HB1 ALA 23 17.775 -8.710 -5.280 179 HB2 ALA 23 HB2 ALA 23 16.987 -7.190 -5.808 180 HB3 ALA 23 HB3 ALA 23 16.881 -8.660 -6.816 181 H HIS 24 H HIS 24 18.554 -8.779 -9.218 182 HA HIS 24 HA HIS 24 18.458 -6.111 -10.466 183 HB2 HIS 24 HB2 HIS 24 19.208 -7.131 -12.470 184 HB3 HIS 24 HB3 HIS 24 20.210 -7.771 -11.172 185 HD1 HIS 24 HD1 HIS 24 18.353 -8.813 -14.091 186 HD2 HIS 24 HD2 HIS 24 19.120 -10.481 -10.329 187 HE1 HIS 24 HE1 HIS 24 17.849 -11.309 -14.267 188 HE2 HIS 24 HE2 HIS 24 18.489 -12.315 -12.007 189 H LYS 25 H LYS 25 16.404 -8.752 -9.750 190 HA LYS 25 HA LYS 25 14.284 -7.705 -11.523 191 HB2 LYS 25 HB2 LYS 25 15.736 -9.288 -12.748 192 HB3 LYS 25 HB3 LYS 25 15.238 -10.561 -11.683 193 HG2 LYS 25 HG2 LYS 25 13.347 -8.980 -13.514 194 HG3 LYS 25 HG3 LYS 25 14.213 -10.449 -14.019 195 HD2 LYS 25 HD2 LYS 25 13.158 -11.741 -12.229 196 HD3 LYS 25 HD3 LYS 25 12.258 -10.310 -11.747 197 HE2 LYS 25 HE2 LYS 25 10.858 -11.672 -13.154 198 HE3 LYS 25 HE3 LYS 25 11.267 -10.219 -14.046 199 HZ1 LYS 25 HZ1 LYS 25 11.454 -12.180 -15.426 200 HZ2 LYS 25 HZ2 LYS 25 12.520 -12.884 -14.367 201 HZ3 LYS 25 HZ3 LYS 25 12.962 -11.536 -15.216 202 H ILE 26 H ILE 26 12.239 -7.872 -10.670 203 HA ILE 26 HA ILE 26 12.000 -9.380 -8.088 204 HB ILE 26 HB ILE 26 10.288 -7.106 -9.212 205 HG12 ILE 26 HG12 ILE 26 12.355 -7.050 -6.998 206 HG13 ILE 26 HG13 ILE 26 12.696 -6.532 -8.636 207 HG21 ILE 26 HG21 ILE 26 10.330 -8.535 -6.538 208 HG22 ILE 26 HG22 ILE 26 9.413 -7.073 -6.861 209 HG23 ILE 26 HG23 ILE 26 9.011 -8.582 -7.716 210 HD11 ILE 26 HD11 ILE 26 12.251 -4.646 -7.197 211 HD12 ILE 26 HD12 ILE 26 10.660 -5.284 -6.799 212 HD13 ILE 26 HD13 ILE 26 11.007 -4.781 -8.483 213 H GLU 27 H GLU 27 10.768 -11.216 -8.086 214 HA GLU 27 HA GLU 27 9.135 -11.865 -10.477 215 HB2 GLU 27 HB2 GLU 27 9.960 -13.477 -8.071 216 HB3 GLU 27 HB3 GLU 27 8.990 -14.085 -9.371 217 HG2 GLU 27 HG2 GLU 27 11.765 -12.944 -9.812 218 HG3 GLU 27 HG3 GLU 27 11.419 -14.688 -9.598 219 H ARG 28 H ARG 28 8.572 -11.075 -7.045 220 HA ARG 28 HA ARG 28 5.666 -11.082 -7.664 221 HB2 ARG 28 HB2 ARG 28 6.225 -13.345 -6.692 222 HB3 ARG 28 HB3 ARG 28 6.901 -12.550 -5.290 223 HG2 ARG 28 HG2 ARG 28 4.729 -11.572 -4.735 224 HG3 ARG 28 HG3 ARG 28 3.968 -12.428 -6.086 225 HD2 ARG 28 HD2 ARG 28 5.404 -13.859 -3.779 226 HD3 ARG 28 HD3 ARG 28 3.664 -13.647 -3.903 227 HE ARG 28 HE ARG 28 5.379 -15.442 -5.460 228 HH11 ARG 28 HH11 ARG 28 4.353 -17.038 -6.638 229 HH12 ARG 28 HH12 ARG 28 2.591 -17.069 -6.764 230 HH21 ARG 28 HH21 ARG 28 2.126 -14.208 -4.915 231 HH22 ARG 28 HH22 ARG 28 1.381 -15.507 -5.873 232 H VAL 29 H VAL 29 4.618 -9.476 -6.614 233 HA VAL 29 HA VAL 29 5.963 -8.102 -4.321 234 HB VAL 29 HB VAL 29 4.433 -6.757 -6.596 235 HG11 VAL 29 HG11 VAL 29 5.581 -5.721 -3.986 236 HG12 VAL 29 HG12 VAL 29 5.176 -4.626 -5.356 237 HG13 VAL 29 HG13 VAL 29 3.910 -5.580 -4.597 238 HG21 VAL 29 HG21 VAL 29 6.664 -5.515 -6.889 239 HG22 VAL 29 HG22 VAL 29 6.724 -7.240 -7.315 240 HG23 VAL 29 HG23 VAL 29 7.377 -6.675 -5.735 241 H VAL 30 H VAL 30 4.594 -8.213 -2.566 242 HA VAL 30 HA VAL 30 1.696 -8.457 -3.238 243 HB VAL 30 HB VAL 30 1.316 -9.595 -1.046 244 HG11 VAL 30 HG11 VAL 30 1.899 -10.912 -3.221 245 HG12 VAL 30 HG12 VAL 30 3.515 -11.140 -2.475 246 HG13 VAL 30 HG13 VAL 30 2.057 -11.753 -1.655 247 HG21 VAL 30 HG21 VAL 30 3.122 -10.340 0.325 248 HG22 VAL 30 HG22 VAL 30 3.263 -8.621 0.113 249 HG23 VAL 30 HG23 VAL 30 4.331 -9.688 -0.820 250 H VAL 31 H VAL 31 0.317 -6.987 -2.220 251 HA VAL 31 HA VAL 31 1.857 -4.749 -0.906 252 HB VAL 31 HB VAL 31 0.347 -3.147 -2.005 253 HG11 VAL 31 HG11 VAL 31 1.331 -3.159 -4.132 254 HG12 VAL 31 HG12 VAL 31 1.420 -4.929 -4.192 255 HG13 VAL 31 HG13 VAL 31 2.475 -4.024 -3.097 256 HG21 VAL 31 HG21 VAL 31 -1.661 -4.546 -2.276 257 HG22 VAL 31 HG22 VAL 31 -1.152 -3.852 -3.879 258 HG23 VAL 31 HG23 VAL 31 -0.785 -5.573 -3.488 259 H GLY 32 H GLY 32 0.646 -3.421 0.571 260 HA2 GLY 32 HA2 GLY 32 -1.757 -4.864 1.653 261 HA3 GLY 32 HA3 GLY 32 -0.610 -3.954 2.654 262 H ILE 33 H ILE 33 -3.517 -3.664 1.117 263 HA ILE 33 HA ILE 33 -3.200 -0.705 0.778 264 HB ILE 33 HB ILE 33 -5.124 -2.569 -0.741 265 HG12 ILE 33 HG12 ILE 33 -2.833 -0.808 -1.736 266 HG13 ILE 33 HG13 ILE 33 -2.730 -2.534 -1.583 267 HG21 ILE 33 HG21 ILE 33 -5.886 -0.571 -1.857 268 HG22 ILE 33 HG22 ILE 33 -4.787 0.459 -0.875 269 HG23 ILE 33 HG23 ILE 33 -6.159 -0.412 -0.150 270 HD11 ILE 33 HD11 ILE 33 -3.087 -2.061 -3.929 271 HD12 ILE 33 HD12 ILE 33 -4.445 -0.950 -3.571 272 HD13 ILE 33 HD13 ILE 33 -4.618 -2.716 -3.296 273 H GLY 34 H GLY 34 -4.388 0.446 2.266 274 HA2 GLY 34 HA2 GLY 34 -5.599 -0.979 4.382 275 HA3 GLY 34 HA3 GLY 34 -5.731 0.751 4.122 276 H GLU 35 H GLU 35 -7.527 -1.212 5.110 277 HA GLU 35 HA GLU 35 -9.549 -1.846 3.219 278 HB2 GLU 35 HB2 GLU 35 -10.832 -2.517 5.165 279 HB3 GLU 35 HB3 GLU 35 -9.142 -2.970 5.365 280 HG2 GLU 35 HG2 GLU 35 -8.762 -1.070 6.782 281 HG3 GLU 35 HG3 GLU 35 -10.455 -0.622 6.638 282 H ARG 36 H ARG 36 -8.786 1.122 4.856 283 HA ARG 36 HA ARG 36 -11.349 2.260 3.885 284 HB2 ARG 36 HB2 ARG 36 -9.584 3.325 6.093 285 HB3 ARG 36 HB3 ARG 36 -10.995 4.105 5.433 286 HG2 ARG 36 HG2 ARG 36 -12.401 2.152 6.227 287 HG3 ARG 36 HG3 ARG 36 -10.948 1.532 7.008 288 HD2 ARG 36 HD2 ARG 36 -12.221 2.846 8.645 289 HD3 ARG 36 HD3 ARG 36 -10.735 3.745 8.242 290 HE ARG 36 HE ARG 36 -12.939 4.462 6.536 291 HH11 ARG 36 HH11 ARG 36 -13.928 6.382 6.743 292 HH12 ARG 36 HH12 ARG 36 -13.566 7.448 8.084 293 HH21 ARG 36 HH21 ARG 36 -11.342 5.216 9.548 294 HH22 ARG 36 HH22 ARG 36 -12.096 6.827 9.659 295 H SER 37 H SER 37 -8.589 1.784 2.593 296 HA SER 37 HA SER 37 -7.430 4.410 2.355 297 HB2 SER 37 HB2 SER 37 -6.116 3.449 0.532 298 HB3 SER 37 HB3 SER 37 -6.105 2.365 1.922 299 HG SER 37 HG SER 37 -7.509 1.050 0.859 300 H ALA 38 H ALA 38 -7.352 5.715 0.456 301 HA ALA 38 HA ALA 38 -9.966 6.169 -0.709 302 HB1 ALA 38 HB1 ALA 38 -8.316 8.012 -0.122 303 HB2 ALA 38 HB2 ALA 38 -8.805 8.031 -1.876 304 HB3 ALA 38 HB3 ALA 38 -7.229 7.341 -1.374 305 H MET 39 H MET 39 -7.537 3.920 -1.353 306 HA MET 39 HA MET 39 -7.380 4.207 -4.147 307 HB2 MET 39 HB2 MET 39 -6.519 1.994 -2.317 308 HB3 MET 39 HB3 MET 39 -6.115 2.109 -4.042 309 HG2 MET 39 HG2 MET 39 -5.067 4.256 -3.702 310 HG3 MET 39 HG3 MET 39 -5.365 4.188 -1.911 311 HE1 MET 39 HE1 MET 39 -3.268 2.947 -4.912 312 HE2 MET 39 HE2 MET 39 -2.268 1.662 -4.196 313 HE3 MET 39 HE3 MET 39 -4.004 1.373 -4.522 314 H ASP 40 H ASP 40 -8.045 3.055 -5.789 315 HA ASP 40 HA ASP 40 -10.434 1.272 -5.387 316 HB2 ASP 40 HB2 ASP 40 -9.357 2.730 -7.828 317 HB3 ASP 40 HB3 ASP 40 -10.687 1.560 -7.895 318 H LYS 41 H LYS 41 -9.895 -0.856 -5.352 319 HA LYS 41 HA LYS 41 -7.349 -1.830 -6.261 320 HB2 LYS 41 HB2 LYS 41 -9.933 -3.303 -5.665 321 HB3 LYS 41 HB3 LYS 41 -8.358 -4.066 -5.863 322 HG2 LYS 41 HG2 LYS 41 -7.477 -2.856 -3.960 323 HG3 LYS 41 HG3 LYS 41 -8.991 -2.008 -3.712 324 HD2 LYS 41 HD2 LYS 41 -8.923 -3.741 -2.104 325 HD3 LYS 41 HD3 LYS 41 -10.130 -4.181 -3.322 326 HE2 LYS 41 HE2 LYS 41 -8.524 -5.736 -4.376 327 HE3 LYS 41 HE3 LYS 41 -7.344 -5.323 -3.116 328 HZ1 LYS 41 HZ1 LYS 41 -8.559 -7.343 -2.572 329 HZ2 LYS 41 HZ2 LYS 41 -8.764 -6.168 -1.423 330 HZ3 LYS 41 HZ3 LYS 41 -9.951 -6.492 -2.513 331 H SER 42 H SER 42 -10.401 -1.560 -7.944 332 HA SER 42 HA SER 42 -9.780 -3.524 -9.953 333 HB2 SER 42 HB2 SER 42 -12.060 -2.735 -9.529 334 HB3 SER 42 HB3 SER 42 -11.620 -1.082 -10.183 335 HG SER 42 HG SER 42 -11.446 -3.567 -11.588 336 H LEU 43 H LEU 43 -9.292 -0.005 -9.697 337 HA LEU 43 HA LEU 43 -8.100 0.161 -12.344 338 HB2 LEU 43 HB2 LEU 43 -8.162 2.110 -10.049 339 HB3 LEU 43 HB3 LEU 43 -7.544 2.458 -11.653 340 HG LEU 43 HG LEU 43 -10.407 1.622 -11.103 341 HD11 LEU 43 HD11 LEU 43 -10.879 4.048 -11.593 342 HD12 LEU 43 HD12 LEU 43 -9.130 4.344 -11.595 343 HD13 LEU 43 HD13 LEU 43 -9.955 3.800 -10.114 344 HD21 LEU 43 HD21 LEU 43 -8.998 2.690 -13.582 345 HD22 LEU 43 HD22 LEU 43 -10.773 2.640 -13.390 346 HD23 LEU 43 HD23 LEU 43 -9.817 1.118 -13.413 347 H PHE 44 H PHE 44 -7.030 -0.433 -9.064 348 HA PHE 44 HA PHE 44 -4.274 0.299 -9.446 349 HB2 PHE 44 HB2 PHE 44 -5.328 -0.083 -7.239 350 HB3 PHE 44 HB3 PHE 44 -5.495 -1.784 -7.599 351 HD1 PHE 44 HD1 PHE 44 -3.085 0.888 -6.873 352 HD2 PHE 44 HD2 PHE 44 -3.691 -3.295 -7.527 353 HE1 PHE 44 HE1 PHE 44 -0.779 0.450 -6.043 354 HE2 PHE 44 HE2 PHE 44 -1.374 -3.744 -6.701 355 HZ PHE 44 HZ PHE 44 0.080 -1.850 -5.951 356 H VAL 45 H VAL 45 -6.060 -2.810 -9.825 357 HA VAL 45 HA VAL 45 -3.599 -4.145 -10.499 358 HB VAL 45 HB VAL 45 -4.937 -6.079 -11.221 359 HG11 VAL 45 HG11 VAL 45 -5.957 -6.654 -9.113 360 HG12 VAL 45 HG12 VAL 45 -4.500 -5.668 -8.794 361 HG13 VAL 45 HG13 VAL 45 -6.106 -4.915 -8.659 362 HG21 VAL 45 HG21 VAL 45 -6.789 -4.913 -12.313 363 HG22 VAL 45 HG22 VAL 45 -7.365 -4.327 -10.739 364 HG23 VAL 45 HG23 VAL 45 -7.396 -6.080 -11.153 365 H SER 46 H SER 46 -5.787 -2.191 -12.287 366 HA SER 46 HA SER 46 -4.949 -3.265 -14.925 367 HB2 SER 46 HB2 SER 46 -7.168 -2.136 -14.582 368 HB3 SER 46 HB3 SER 46 -6.309 -0.622 -14.274 369 HG SER 46 HG SER 46 -6.149 -2.183 -16.634 370 H ALA 47 H ALA 47 -4.134 -0.490 -12.799 371 HA ALA 47 HA ALA 47 -2.307 0.750 -14.622 372 HB1 ALA 47 HB1 ALA 47 -1.598 2.009 -12.564 373 HB2 ALA 47 HB2 ALA 47 -2.719 0.984 -11.626 374 HB3 ALA 47 HB3 ALA 47 -3.334 2.067 -12.885 375 H PHE 48 H PHE 48 -2.044 -1.712 -12.197 376 HA PHE 48 HA PHE 48 0.784 -1.682 -11.901 377 HB2 PHE 48 HB2 PHE 48 -0.865 -2.853 -10.425 378 HB3 PHE 48 HB3 PHE 48 -1.115 -4.049 -11.715 379 HD1 PHE 48 HD1 PHE 48 0.631 -5.673 -12.270 380 HD2 PHE 48 HD2 PHE 48 1.120 -2.866 -9.044 381 HE1 PHE 48 HE1 PHE 48 2.520 -7.037 -11.383 382 HE2 PHE 48 HE2 PHE 48 2.995 -4.210 -8.133 383 HZ PHE 48 HZ PHE 48 3.702 -6.345 -9.271 384 H GLU 49 H GLU 49 -1.368 -3.111 -14.361 385 HA GLU 49 HA GLU 49 0.732 -4.761 -15.493 386 HB2 GLU 49 HB2 GLU 49 -1.810 -3.708 -16.781 387 HB3 GLU 49 HB3 GLU 49 -0.774 -4.945 -17.448 388 HG2 GLU 49 HG2 GLU 49 -1.264 -6.341 -15.452 389 HG3 GLU 49 HG3 GLU 49 -2.392 -5.123 -14.934 390 H THR 50 H THR 50 -0.509 -1.488 -16.021 391 HA THR 50 HA THR 50 0.797 -1.079 -18.514 392 HB THR 50 HB THR 50 -0.306 0.975 -16.497 393 HG1 THR 50 HG1 THR 50 -1.550 -0.602 -18.476 394 HG21 THR 50 HG21 THR 50 0.919 2.062 -18.285 395 HG22 THR 50 HG22 THR 50 -0.817 2.323 -18.464 396 HG23 THR 50 HG23 THR 50 -0.001 1.160 -19.490 397 H PHE 51 H PHE 51 1.729 0.050 -15.187 398 HA PHE 51 HA PHE 51 3.920 1.612 -16.414 399 HB2 PHE 51 HB2 PHE 51 3.355 1.015 -13.548 400 HB3 PHE 51 HB3 PHE 51 4.636 2.008 -14.120 401 HD1 PHE 51 HD1 PHE 51 0.978 1.938 -13.506 402 HD2 PHE 51 HD2 PHE 51 4.298 4.140 -15.231 403 HE1 PHE 51 HE1 PHE 51 -0.328 4.011 -13.396 404 HE2 PHE 51 HE2 PHE 51 2.930 6.208 -15.133 405 HZ PHE 51 HZ PHE 51 0.655 6.192 -14.222 406 H ARG 52 H ARG 52 3.780 -1.650 -15.150 407 HA ARG 52 HA ARG 52 6.543 -1.609 -14.261 408 HB2 ARG 52 HB2 ARG 52 4.553 -3.870 -14.673 409 HB3 ARG 52 HB3 ARG 52 6.165 -3.997 -13.895 410 HG2 ARG 52 HG2 ARG 52 5.405 -2.233 -12.274 411 HG3 ARG 52 HG3 ARG 52 3.791 -2.303 -13.041 412 HD2 ARG 52 HD2 ARG 52 3.694 -3.630 -11.167 413 HD3 ARG 52 HD3 ARG 52 3.803 -4.748 -12.531 414 HE ARG 52 HE ARG 52 5.912 -5.455 -11.727 415 HH11 ARG 52 HH11 ARG 52 7.456 -5.656 -10.113 416 HH12 ARG 52 HH12 ARG 52 7.540 -4.460 -8.828 417 HH21 ARG 52 HH21 ARG 52 4.804 -2.652 -9.813 418 HH22 ARG 52 HH22 ARG 52 6.145 -2.764 -8.706 419 H GLU 53 H GLU 53 5.063 -2.267 -17.340 420 HA GLU 53 HA GLU 53 7.155 -3.960 -18.339 421 HB2 GLU 53 HB2 GLU 53 6.297 -3.555 -20.498 422 HB3 GLU 53 HB3 GLU 53 4.952 -3.837 -19.394 423 HG2 GLU 53 HG2 GLU 53 4.516 -1.483 -19.373 424 HG3 GLU 53 HG3 GLU 53 5.889 -1.188 -20.464 425 H GLU 54 H GLU 54 6.924 -0.642 -17.735 426 HA GLU 54 HA GLU 54 8.832 0.381 -19.586 427 HB2 GLU 54 HB2 GLU 54 8.079 1.402 -16.862 428 HB3 GLU 54 HB3 GLU 54 8.842 2.350 -18.125 429 HG2 GLU 54 HG2 GLU 54 6.087 1.184 -18.163 430 HG3 GLU 54 HG3 GLU 54 6.524 2.864 -17.891 431 H SER 55 H SER 55 9.217 -1.556 -16.769 432 HA SER 55 HA SER 55 12.134 -1.045 -16.798 433 HB2 SER 55 HB2 SER 55 11.244 0.248 -14.928 434 HB3 SER 55 HB3 SER 55 10.381 -1.158 -14.317 435 HG SER 55 HG SER 55 12.669 -0.444 -13.529 436 H LEU 56 H LEU 56 13.335 -2.822 -16.858 437 HA LEU 56 HA LEU 56 12.182 -5.383 -17.165 438 HB2 LEU 56 HB2 LEU 56 14.350 -4.649 -18.016 439 HB3 LEU 56 HB3 LEU 56 15.020 -4.670 -16.422 440 HG LEU 56 HG LEU 56 15.828 -6.433 -17.837 441 HD11 LEU 56 HD11 LEU 56 14.098 -7.808 -15.786 442 HD12 LEU 56 HD12 LEU 56 15.533 -6.860 -15.334 443 HD13 LEU 56 HD13 LEU 56 15.687 -8.272 -16.388 444 HD21 LEU 56 HD21 LEU 56 13.006 -7.544 -17.861 445 HD22 LEU 56 HD22 LEU 56 14.482 -8.222 -18.675 446 HD23 LEU 56 HD23 LEU 56 13.805 -6.637 -19.208 447 H VAL 57 H VAL 57 13.511 -3.743 -14.449 448 HA VAL 57 HA VAL 57 13.774 -5.920 -12.632 449 HB VAL 57 HB VAL 57 13.024 -2.967 -12.066 450 HG11 VAL 57 HG11 VAL 57 14.202 -3.438 -9.817 451 HG12 VAL 57 HG12 VAL 57 12.596 -4.151 -10.020 452 HG13 VAL 57 HG13 VAL 57 14.028 -5.152 -10.185 453 HG21 VAL 57 HG21 VAL 57 15.152 -3.098 -13.300 454 HG22 VAL 57 HG22 VAL 57 15.801 -4.258 -12.156 455 HG23 VAL 57 HG23 VAL 57 15.470 -2.603 -11.615 456 H CYS 58 H CYS 58 11.024 -3.904 -13.467 457 HA CYS 58 HA CYS 58 9.343 -5.182 -11.403 458 HB2 CYS 58 HB2 CYS 58 8.807 -2.903 -13.301 459 HB3 CYS 58 HB3 CYS 58 7.749 -3.360 -11.983 460 HG CYS 58 HG CYS 58 10.824 -2.186 -11.950 461 H LYS 59 H LYS 59 9.885 -5.553 -14.808 462 HA LYS 59 HA LYS 59 7.222 -5.569 -15.751 463 HB2 LYS 59 HB2 LYS 59 9.316 -5.333 -17.014 464 HB3 LYS 59 HB3 LYS 59 9.721 -7.027 -16.810 465 HG2 LYS 59 HG2 LYS 59 7.984 -7.678 -18.278 466 HG3 LYS 59 HG3 LYS 59 7.196 -6.089 -18.218 467 HD2 LYS 59 HD2 LYS 59 8.335 -6.249 -20.312 468 HD3 LYS 59 HD3 LYS 59 9.162 -5.074 -19.293 469 HE2 LYS 59 HE2 LYS 59 10.937 -6.758 -18.831 470 HE3 LYS 59 HE3 LYS 59 10.092 -7.918 -19.919 471 HZ1 LYS 59 HZ1 LYS 59 11.785 -6.736 -21.153 472 HZ2 LYS 59 HZ2 LYS 59 11.195 -5.252 -20.682 473 HZ3 LYS 59 HZ3 LYS 59 10.324 -6.195 -21.675 474 H ASP 60 H ASP 60 8.960 -8.516 -14.523 475 HA ASP 60 HA ASP 60 6.582 -10.024 -15.461 476 HB2 ASP 60 HB2 ASP 60 9.222 -10.962 -14.376 477 HB3 ASP 60 HB3 ASP 60 7.944 -12.019 -14.868 478 H ALA 61 H ALA 61 6.987 -8.320 -12.811 479 HA ALA 61 HA ALA 61 6.864 -10.233 -10.763 480 HB1 ALA 61 HB1 ALA 61 7.553 -7.842 -10.493 481 HB2 ALA 61 HB2 ALA 61 6.410 -8.446 -9.273 482 HB3 ALA 61 HB3 ALA 61 5.820 -7.390 -10.585 483 H ILE 62 H ILE 62 5.323 -11.242 -9.699 484 HA ILE 62 HA ILE 62 2.552 -11.343 -10.670 485 HB ILE 62 HB ILE 62 3.939 -12.665 -8.279 486 HG12 ILE 62 HG12 ILE 62 3.177 -13.924 -10.941 487 HG13 ILE 62 HG13 ILE 62 4.774 -13.244 -10.648 488 HG21 ILE 62 HG21 ILE 62 1.483 -12.617 -7.920 489 HG22 ILE 62 HG22 ILE 62 2.001 -14.276 -8.283 490 HG23 ILE 62 HG23 ILE 62 1.213 -13.272 -9.541 491 HD11 ILE 62 HD11 ILE 62 4.785 -15.670 -10.357 492 HD12 ILE 62 HD12 ILE 62 3.531 -15.529 -9.121 493 HD13 ILE 62 HD13 ILE 62 5.143 -14.859 -8.811 494 H LEU 63 H LEU 63 0.771 -10.423 -9.591 495 HA LEU 63 HA LEU 63 1.379 -8.821 -7.130 496 HB2 LEU 63 HB2 LEU 63 1.064 -7.546 -9.159 497 HB3 LEU 63 HB3 LEU 63 -0.556 -8.195 -9.396 498 HG LEU 63 HG LEU 63 -0.404 -5.858 -8.631 499 HD11 LEU 63 HD11 LEU 63 -2.258 -5.839 -7.210 500 HD12 LEU 63 HD12 LEU 63 -1.862 -7.410 -6.529 501 HD13 LEU 63 HD13 LEU 63 -2.396 -7.305 -8.194 502 HD21 LEU 63 HD21 LEU 63 0.234 -5.270 -6.389 503 HD22 LEU 63 HD22 LEU 63 1.523 -6.203 -7.073 504 HD23 LEU 63 HD23 LEU 63 0.385 -6.962 -5.936 505 H ASP 64 H ASP 64 0.222 -8.958 -5.416 506 HA ASP 64 HA ASP 64 -2.444 -10.231 -5.424 507 HB2 ASP 64 HB2 ASP 64 -0.685 -11.956 -4.932 508 HB3 ASP 64 HB3 ASP 64 -0.241 -11.005 -3.537 509 H ILE 65 H ILE 65 -3.793 -8.820 -4.332 510 HA ILE 65 HA ILE 65 -2.559 -6.716 -2.573 511 HB ILE 65 HB ILE 65 -5.440 -7.042 -3.546 512 HG12 ILE 65 HG12 ILE 65 -3.361 -5.090 -4.552 513 HG13 ILE 65 HG13 ILE 65 -3.776 -6.590 -5.399 514 HG21 ILE 65 HG21 ILE 65 -3.941 -4.787 -2.057 515 HG22 ILE 65 HG22 ILE 65 -5.294 -5.731 -1.411 516 HG23 ILE 65 HG23 ILE 65 -5.554 -4.576 -2.764 517 HD11 ILE 65 HD11 ILE 65 -4.915 -4.768 -6.481 518 HD12 ILE 65 HD12 ILE 65 -6.132 -5.792 -5.654 519 HD13 ILE 65 HD13 ILE 65 -5.612 -4.252 -4.957 520 H VAL 66 H VAL 66 -2.657 -6.826 -0.441 521 HA VAL 66 HA VAL 66 -4.646 -8.673 0.862 522 HB VAL 66 HB VAL 66 -1.961 -7.591 1.875 523 HG11 VAL 66 HG11 VAL 66 -2.339 -9.046 3.861 524 HG12 VAL 66 HG12 VAL 66 -3.978 -9.432 3.207 525 HG13 VAL 66 HG13 VAL 66 -3.573 -7.771 3.683 526 HG21 VAL 66 HG21 VAL 66 -2.829 -10.361 1.027 527 HG22 VAL 66 HG22 VAL 66 -1.296 -9.988 1.787 528 HG23 VAL 66 HG23 VAL 66 -1.668 -9.351 0.182 529 H ASP 67 H ASP 67 -6.264 -7.649 1.842 530 HA ASP 67 HA ASP 67 -6.327 -4.725 2.018 531 HB2 ASP 67 HB2 ASP 67 -8.220 -6.879 3.086 532 HB3 ASP 67 HB3 ASP 67 -8.511 -5.124 3.187 533 H GLU 68 H GLU 68 -5.902 -3.479 3.953 534 HA GLU 68 HA GLU 68 -5.295 -5.083 6.346 535 HB2 GLU 68 HB2 GLU 68 -3.674 -2.706 5.357 536 HB3 GLU 68 HB3 GLU 68 -3.442 -3.630 6.853 537 HG2 GLU 68 HG2 GLU 68 -3.042 -5.669 5.631 538 HG3 GLU 68 HG3 GLU 68 -3.066 -4.745 4.139 539 H LYS 69 H LYS 69 -5.401 -4.243 8.361 540 HA LYS 69 HA LYS 69 -7.591 -2.365 8.841 541 HB2 LYS 69 HB2 LYS 69 -5.560 -3.840 10.544 542 HB3 LYS 69 HB3 LYS 69 -6.462 -2.455 11.208 543 HG2 LYS 69 HG2 LYS 69 -7.659 -4.533 11.782 544 HG3 LYS 69 HG3 LYS 69 -8.629 -3.572 10.659 545 HD2 LYS 69 HD2 LYS 69 -7.834 -5.095 8.798 546 HD3 LYS 69 HD3 LYS 69 -6.959 -6.038 9.993 547 HE2 LYS 69 HE2 LYS 69 -9.083 -6.476 11.157 548 HE3 LYS 69 HE3 LYS 69 -9.933 -5.542 9.908 549 HZ1 LYS 69 HZ1 LYS 69 -8.292 -7.865 9.239 550 HZ2 LYS 69 HZ2 LYS 69 -9.445 -7.131 8.319 551 HZ3 LYS 69 HZ3 LYS 69 -9.884 -8.011 9.654 552 H VAL 70 H VAL 70 -7.457 -0.433 9.972 553 HA VAL 70 HA VAL 70 -5.146 1.196 9.179 554 HB VAL 70 HB VAL 70 -6.737 3.162 9.064 555 HG11 VAL 70 HG11 VAL 70 -7.997 0.888 7.434 556 HG12 VAL 70 HG12 VAL 70 -7.781 2.582 7.017 557 HG13 VAL 70 HG13 VAL 70 -6.394 1.507 7.075 558 HG21 VAL 70 HG21 VAL 70 -8.345 2.236 10.817 559 HG22 VAL 70 HG22 VAL 70 -9.124 2.891 9.369 560 HG23 VAL 70 HG23 VAL 70 -8.957 1.147 9.586 561 H GLU 71 H GLU 71 -4.620 3.076 10.423 562 HA GLU 71 HA GLU 71 -5.271 2.753 13.346 563 HB2 GLU 71 HB2 GLU 71 -2.820 2.484 12.722 564 HB3 GLU 71 HB3 GLU 71 -2.860 4.145 12.085 565 HG2 GLU 71 HG2 GLU 71 -3.519 4.970 14.367 566 HG3 GLU 71 HG3 GLU 71 -3.445 3.285 14.947 567 H LEU 72 H LEU 72 -6.097 4.620 14.341 568 HA LEU 72 HA LEU 72 -6.781 6.888 12.534 569 HB2 LEU 72 HB2 LEU 72 -8.470 5.712 14.790 570 HB3 LEU 72 HB3 LEU 72 -8.867 7.102 13.854 571 HG LEU 72 HG LEU 72 -8.689 4.311 12.695 572 HD11 LEU 72 HD11 LEU 72 -11.140 6.012 13.324 573 HD12 LEU 72 HD12 LEU 72 -10.594 4.638 14.322 574 HD13 LEU 72 HD13 LEU 72 -11.157 4.375 12.680 575 HD21 LEU 72 HD21 LEU 72 -9.827 5.336 10.780 576 HD22 LEU 72 HD22 LEU 72 -8.179 5.966 11.003 577 HD23 LEU 72 HD23 LEU 72 -9.612 6.935 11.541 578 H GLU 73 H GLU 73 -6.893 8.876 13.331 579 HA GLU 73 HA GLU 73 -5.973 9.339 16.151 580 HB2 GLU 73 HB2 GLU 73 -4.129 9.949 14.514 581 HB3 GLU 73 HB3 GLU 73 -5.316 10.879 13.620 582 HG2 GLU 73 HG2 GLU 73 -5.575 12.398 15.578 583 HG3 GLU 73 HG3 GLU 73 -4.356 11.449 16.433 584 H CYS 74 H CYS 74 -7.123 10.986 17.109 585 HA CYS 74 HA CYS 74 -9.669 11.732 15.688 586 HB2 CYS 74 HB2 CYS 74 -9.700 10.488 17.892 587 HB3 CYS 74 HB3 CYS 74 -8.784 11.803 18.603 588 H LYS 75 H LYS 75 -10.167 13.871 15.420 589 HA LYS 75 HA LYS 75 -8.040 15.815 15.272 590 HB2 LYS 75 HB2 LYS 75 -11.049 16.137 15.366 591 HB3 LYS 75 HB3 LYS 75 -9.926 17.387 15.048 592 HG2 LYS 75 HG2 LYS 75 -9.092 16.118 13.072 593 HG3 LYS 75 HG3 LYS 75 -10.296 14.934 13.338 594 HD2 LYS 75 HD2 LYS 75 -11.058 16.352 11.580 595 HD3 LYS 75 HD3 LYS 75 -12.024 16.756 13.010 596 HE2 LYS 75 HE2 LYS 75 -10.438 18.649 13.458 597 HE3 LYS 75 HE3 LYS 75 -9.573 18.236 11.968 598 HZ1 LYS 75 HZ1 LYS 75 -12.420 19.039 12.133 599 HZ2 LYS 75 HZ2 LYS 75 -11.614 18.752 10.731 600 HZ3 LYS 75 HZ3 LYS 75 -11.215 20.057 11.685 601 H ASP 76 H ASP 76 -7.670 17.650 16.805 602 HA ASP 76 HA ASP 76 -6.524 16.473 18.776 603 HB2 ASP 76 HB2 ASP 76 -6.993 18.822 20.047 604 HB3 ASP 76 HB3 ASP 76 -5.709 18.527 18.883 605 H CYS 77 H CYS 77 -7.126 15.007 19.692 606 HA CYS 77 HA CYS 77 -8.290 15.009 22.407 607 HB2 CYS 77 HB2 CYS 77 -10.262 14.442 20.815 608 HB3 CYS 77 HB3 CYS 77 -9.218 13.397 19.961 609 H SER 78 H SER 78 -6.300 13.838 23.237 610 HA SER 78 HA SER 78 -4.646 12.666 21.116 611 HB2 SER 78 HB2 SER 78 -3.547 13.983 22.828 612 HB3 SER 78 HB3 SER 78 -4.110 12.895 24.107 613 HG SER 78 HG SER 78 -1.898 12.560 23.306 614 H HIS 79 H HIS 79 -5.435 10.822 20.363 615 HA HIS 79 HA HIS 79 -5.637 8.675 22.306 616 HB2 HIS 79 HB2 HIS 79 -7.838 9.839 22.080 617 HB3 HIS 79 HB3 HIS 79 -8.032 8.894 20.572 618 HD1 HIS 79 HD1 HIS 79 -7.327 8.379 24.355 619 HD2 HIS 79 HD2 HIS 79 -8.638 6.229 20.989 620 HE1 HIS 79 HE1 HIS 79 -8.145 6.110 25.192 621 HE2 HIS 79 HE2 HIS 79 -8.830 4.806 23.154 622 H VAL 80 H VAL 80 -3.716 8.804 19.876 623 HA VAL 80 HA VAL 80 -5.091 7.491 17.835 624 HB VAL 80 HB VAL 80 -2.017 7.569 18.243 625 HG11 VAL 80 HG11 VAL 80 -3.529 7.266 15.619 626 HG12 VAL 80 HG12 VAL 80 -1.743 7.386 15.803 627 HG13 VAL 80 HG13 VAL 80 -2.635 5.971 16.439 628 HG21 VAL 80 HG21 VAL 80 -4.011 9.517 17.170 629 HG22 VAL 80 HG22 VAL 80 -2.703 9.781 18.339 630 HG23 VAL 80 HG23 VAL 80 -2.329 9.574 16.613 631 H PHE 81 H PHE 81 -5.406 5.487 17.222 632 HA PHE 81 HA PHE 81 -4.132 3.202 18.596 633 HB2 PHE 81 HB2 PHE 81 -6.236 2.464 19.602 634 HB3 PHE 81 HB3 PHE 81 -5.968 4.130 20.100 635 HD1 PHE 81 HD1 PHE 81 -8.369 1.839 18.986 636 HD2 PHE 81 HD2 PHE 81 -7.203 5.925 18.355 637 HE1 PHE 81 HE1 PHE 81 -10.602 2.347 18.207 638 HE2 PHE 81 HE2 PHE 81 -9.519 6.452 17.553 639 HZ PHE 81 HZ PHE 81 -11.226 4.612 17.481 640 H LYS 82 H LYS 82 -5.352 1.085 17.749 641 HA LYS 82 HA LYS 82 -6.373 1.627 15.020 642 HB2 LYS 82 HB2 LYS 82 -5.241 -0.974 16.176 643 HB3 LYS 82 HB3 LYS 82 -5.896 -0.788 14.543 644 HG2 LYS 82 HG2 LYS 82 -4.072 0.803 14.034 645 HG3 LYS 82 HG3 LYS 82 -3.329 0.433 15.606 646 HD2 LYS 82 HD2 LYS 82 -3.375 -1.990 14.938 647 HD3 LYS 82 HD3 LYS 82 -4.099 -1.532 13.378 648 HE2 LYS 82 HE2 LYS 82 -1.769 -1.913 13.040 649 HE3 LYS 82 HE3 LYS 82 -2.032 -0.161 12.935 650 HZ1 LYS 82 HZ1 LYS 82 -0.225 -0.287 14.259 651 HZ2 LYS 82 HZ2 LYS 82 -0.709 -1.664 15.043 652 HZ3 LYS 82 HZ3 LYS 82 -1.422 -0.221 15.397 653 HA PRO 83 HA PRO 83 -10.158 0.305 17.165 654 HB2 PRO 83 HB2 PRO 83 -11.927 0.554 15.081 655 HB3 PRO 83 HB3 PRO 83 -11.223 2.019 15.812 656 HG2 PRO 83 HG2 PRO 83 -10.323 0.571 13.338 657 HG3 PRO 83 HG3 PRO 83 -10.645 2.294 13.524 658 HD2 PRO 83 HD2 PRO 83 -8.168 1.349 13.643 659 HD3 PRO 83 HD3 PRO 83 -8.702 2.674 14.737 660 H ASN 84 H ASN 84 -11.488 -1.589 17.184 661 HA ASN 84 HA ASN 84 -10.886 -3.641 15.095 662 HB2 ASN 84 HB2 ASN 84 -10.966 -4.007 18.121 663 HB3 ASN 84 HB3 ASN 84 -10.834 -5.346 16.956 664 HD21 ASN 84 HD21 ASN 84 -9.109 -3.690 19.087 665 HD22 ASN 84 HD22 ASN 84 -7.535 -3.684 18.313 666 H ALA 85 H ALA 85 -13.242 -1.905 15.372 667 HA ALA 85 HA ALA 85 -15.381 -3.959 15.638 668 HB1 ALA 85 HB1 ALA 85 -15.140 -2.872 17.910 669 HB2 ALA 85 HB2 ALA 85 -16.702 -2.545 17.131 670 HB3 ALA 85 HB3 ALA 85 -15.434 -1.283 17.142 671 H LEU 86 H LEU 86 -17.507 -2.767 15.001 672 HA LEU 86 HA LEU 86 -17.124 -1.630 12.378 673 HB2 LEU 86 HB2 LEU 86 -19.532 -1.843 14.209 674 HB3 LEU 86 HB3 LEU 86 -19.562 -1.443 12.472 675 HG LEU 86 HG LEU 86 -18.606 -4.111 13.630 676 HD11 LEU 86 HD11 LEU 86 -20.755 -4.962 12.917 677 HD12 LEU 86 HD12 LEU 86 -21.240 -3.415 12.292 678 HD13 LEU 86 HD13 LEU 86 -21.041 -3.629 14.067 679 HD21 LEU 86 HD21 LEU 86 -17.617 -3.740 11.430 680 HD22 LEU 86 HD22 LEU 86 -19.245 -3.306 10.764 681 HD23 LEU 86 HD23 LEU 86 -18.923 -4.968 11.310 682 H ASP 87 H ASP 87 -16.579 -0.206 15.263 683 HA ASP 87 HA ASP 87 -17.961 2.295 14.943 684 HB2 ASP 87 HB2 ASP 87 -16.831 2.947 16.949 685 HB3 ASP 87 HB3 ASP 87 -17.410 1.277 17.132 686 H TYR 88 H TYR 88 -15.946 1.350 12.838 687 HA TYR 88 HA TYR 88 -13.707 3.090 12.879 688 HB2 TYR 88 HB2 TYR 88 -15.303 2.106 10.502 689 HB3 TYR 88 HB3 TYR 88 -13.743 2.941 10.400 690 HD1 TYR 88 HD1 TYR 88 -15.392 -0.278 11.063 691 HD2 TYR 88 HD2 TYR 88 -11.671 1.810 11.078 692 HE1 TYR 88 HE1 TYR 88 -14.215 -2.449 11.243 693 HE2 TYR 88 HE2 TYR 88 -10.467 -0.360 11.238 694 HH TYR 88 HH TYR 88 -10.609 -2.565 11.337 695 H GLY 89 H GLY 89 -13.417 5.209 12.188 696 HA2 GLY 89 HA2 GLY 89 -13.976 7.170 11.144 697 HA3 GLY 89 HA3 GLY 89 -15.654 6.661 11.002 698 H VAL 90 H VAL 90 -14.788 6.044 14.141 699 HA VAL 90 HA VAL 90 -15.103 8.834 15.080 700 HB VAL 90 HB VAL 90 -16.576 8.122 16.946 701 HG11 VAL 90 HG11 VAL 90 -17.746 7.461 14.237 702 HG12 VAL 90 HG12 VAL 90 -18.677 7.886 15.692 703 HG13 VAL 90 HG13 VAL 90 -17.568 9.090 14.915 704 HG21 VAL 90 HG21 VAL 90 -16.030 5.693 16.939 705 HG22 VAL 90 HG22 VAL 90 -17.732 6.000 16.978 706 HG23 VAL 90 HG23 VAL 90 -16.941 5.510 15.485 707 H CYS 91 H CYS 91 -14.298 9.078 17.224 708 HA CYS 91 HA CYS 91 -11.872 7.515 17.794 709 HB2 CYS 91 HB2 CYS 91 -12.165 9.987 18.130 710 HB3 CYS 91 HB3 CYS 91 -13.391 9.641 19.364 711 H GLU 92 H GLU 92 -11.671 6.598 20.141 712 HA GLU 92 HA GLU 92 -14.256 5.292 20.993 713 HB2 GLU 92 HB2 GLU 92 -12.953 3.551 21.967 714 HB3 GLU 92 HB3 GLU 92 -12.471 3.736 20.283 715 HG2 GLU 92 HG2 GLU 92 -10.464 4.976 21.004 716 HG3 GLU 92 HG3 GLU 92 -10.976 4.726 22.695 717 H LYS 93 H LYS 93 -11.766 7.589 21.855 718 HA LYS 93 HA LYS 93 -12.002 7.459 24.747 719 HB2 LYS 93 HB2 LYS 93 -10.132 8.422 23.503 720 HB3 LYS 93 HB3 LYS 93 -11.145 9.672 22.889 721 HG2 LYS 93 HG2 LYS 93 -9.810 10.628 24.531 722 HG3 LYS 93 HG3 LYS 93 -11.463 10.526 25.167 723 HD2 LYS 93 HD2 LYS 93 -10.875 8.489 26.389 724 HD3 LYS 93 HD3 LYS 93 -9.188 8.592 25.773 725 HE2 LYS 93 HE2 LYS 93 -8.983 10.859 26.799 726 HE3 LYS 93 HE3 LYS 93 -10.614 10.649 27.454 727 HZ1 LYS 93 HZ1 LYS 93 -9.839 8.790 28.735 728 HZ2 LYS 93 HZ2 LYS 93 -8.943 10.157 29.071 729 HZ3 LYS 93 HZ3 LYS 93 -8.306 8.964 28.128 730 H CYS 94 H CYS 94 -13.437 9.120 22.147 731 HA CYS 94 HA CYS 94 -15.765 10.076 23.650 732 HB2 CYS 94 HB2 CYS 94 -15.605 12.211 22.475 733 HB3 CYS 94 HB3 CYS 94 -14.139 12.026 23.464 734 H HIS 95 H HIS 95 -17.380 10.488 21.548 735 HA HIS 95 HA HIS 95 -16.469 8.504 19.491 736 HB2 HIS 95 HB2 HIS 95 -19.270 8.992 20.411 737 HB3 HIS 95 HB3 HIS 95 -18.734 7.882 19.116 738 HD1 HIS 95 HD1 HIS 95 -19.351 8.034 22.784 739 HD2 HIS 95 HD2 HIS 95 -17.117 5.710 20.089 740 HE1 HIS 95 HE1 HIS 95 -18.712 5.890 24.049 741 HE2 HIS 95 HE2 HIS 95 -17.282 4.549 22.431 742 H SER 96 H SER 96 -15.733 11.061 19.497 743 HA SER 96 HA SER 96 -17.502 12.746 18.061 744 HB2 SER 96 HB2 SER 96 -15.610 13.564 19.386 745 HB3 SER 96 HB3 SER 96 -14.461 12.797 18.248 746 HG SER 96 HG SER 96 -16.189 15.020 17.900 747 H LYS 97 H LYS 97 -17.813 13.044 15.954 748 HA LYS 97 HA LYS 97 -16.879 11.066 14.030 749 HB2 LYS 97 HB2 LYS 97 -18.560 13.561 13.700 750 HB3 LYS 97 HB3 LYS 97 -18.254 12.315 12.458 751 HG2 LYS 97 HG2 LYS 97 -19.330 10.596 13.896 752 HG3 LYS 97 HG3 LYS 97 -19.688 11.861 15.088 753 HD2 LYS 97 HD2 LYS 97 -20.678 11.862 12.206 754 HD3 LYS 97 HD3 LYS 97 -21.611 11.333 13.624 755 HE2 LYS 97 HE2 LYS 97 -21.357 13.611 14.644 756 HE3 LYS 97 HE3 LYS 97 -20.479 14.108 13.163 757 HZ1 LYS 97 HZ1 LYS 97 -22.493 13.678 11.937 758 HZ2 LYS 97 HZ2 LYS 97 -22.834 14.713 13.189 759 HZ3 LYS 97 HZ3 LYS 97 -23.276 13.128 13.292 760 H ASN 98 H ASN 98 -15.903 11.850 11.975 761 HA ASN 98 HA ASN 98 -14.205 12.815 10.818 762 HB2 ASN 98 HB2 ASN 98 -14.625 15.279 12.562 763 HB3 ASN 98 HB3 ASN 98 -13.578 15.205 11.167 764 HD21 ASN 98 HD21 ASN 98 -16.343 16.422 12.089 765 HD22 ASN 98 HD22 ASN 98 -17.315 16.204 10.656 766 H VAL 99 H VAL 99 -12.967 11.235 11.589 767 HA VAL 99 HA VAL 99 -10.759 12.102 13.430 768 HB VAL 99 HB VAL 99 -10.380 9.693 13.869 769 HG11 VAL 99 HG11 VAL 99 -13.238 10.541 14.548 770 HG12 VAL 99 HG12 VAL 99 -12.215 9.388 15.468 771 HG13 VAL 99 HG13 VAL 99 -11.774 11.132 15.380 772 HG21 VAL 99 HG21 VAL 99 -13.054 9.214 12.463 773 HG22 VAL 99 HG22 VAL 99 -11.455 8.682 11.932 774 HG23 VAL 99 HG23 VAL 99 -12.152 8.038 13.425 775 H ILE 100 H ILE 100 -8.658 11.073 12.536 776 HA ILE 100 HA ILE 100 -8.939 10.953 9.563 777 HB ILE 100 HB ILE 100 -6.772 12.030 9.326 778 HG12 ILE 100 HG12 ILE 100 -6.834 12.612 12.300 779 HG13 ILE 100 HG13 ILE 100 -5.901 11.257 11.576 780 HG21 ILE 100 HG21 ILE 100 -8.741 13.647 11.036 781 HG22 ILE 100 HG22 ILE 100 -7.524 14.365 9.980 782 HG23 ILE 100 HG23 ILE 100 -8.837 13.415 9.290 783 HD11 ILE 100 HD11 ILE 100 -5.556 14.235 10.995 784 HD12 ILE 100 HD12 ILE 100 -4.652 12.932 10.197 785 HD13 ILE 100 HD13 ILE 100 -4.443 13.248 11.957 786 H ILE 101 H ILE 101 -7.203 9.803 8.518 787 HA ILE 101 HA ILE 101 -6.560 7.383 10.103 788 HB ILE 101 HB ILE 101 -6.527 7.879 7.121 789 HG12 ILE 101 HG12 ILE 101 -8.538 6.238 8.656 790 HG13 ILE 101 HG13 ILE 101 -8.843 7.902 8.170 791 HG21 ILE 101 HG21 ILE 101 -6.279 5.300 8.692 792 HG22 ILE 101 HG22 ILE 101 -6.369 5.403 6.923 793 HG23 ILE 101 HG23 ILE 101 -4.962 6.077 7.738 794 HD11 ILE 101 HD11 ILE 101 -9.951 6.481 6.639 795 HD12 ILE 101 HD12 ILE 101 -8.497 5.503 6.364 796 HD13 ILE 101 HD13 ILE 101 -8.567 7.201 5.796 797 H THR 102 H THR 102 -4.567 7.018 10.729 798 HA THR 102 HA THR 102 -2.462 8.861 9.637 799 HB THR 102 HB THR 102 -1.132 8.075 11.525 800 HG1 THR 102 HG1 THR 102 -1.874 6.405 12.755 801 HG21 THR 102 HG21 THR 102 -2.360 9.075 13.237 802 HG22 THR 102 HG22 THR 102 -3.923 8.743 12.433 803 HG23 THR 102 HG23 THR 102 -2.803 9.943 11.747 804 H GLN 103 H GLN 103 -3.379 5.448 9.858 805 HA GLN 103 HA GLN 103 -1.225 4.828 7.887 806 HB2 GLN 103 HB2 GLN 103 -1.846 3.139 10.342 807 HB3 GLN 103 HB3 GLN 103 -0.815 2.675 8.979 808 HG2 GLN 103 HG2 GLN 103 0.664 4.561 9.443 809 HG3 GLN 103 HG3 GLN 103 -0.363 4.897 10.858 810 HE21 GLN 103 HE21 GLN 103 0.473 4.263 12.697 811 HE22 GLN 103 HE22 GLN 103 1.461 2.817 12.897 812 H GLY 104 H GLY 104 -1.855 3.295 6.375 813 HA2 GLY 104 HA2 GLY 104 -3.259 1.697 5.412 814 HA3 GLY 104 HA3 GLY 104 -4.441 1.946 6.717 815 H ASN 105 H ASN 105 -3.278 4.823 5.233 816 HA ASN 105 HA ASN 105 -5.952 5.172 3.971 817 HB2 ASN 105 HB2 ASN 105 -4.818 6.905 5.502 818 HB3 ASN 105 HB3 ASN 105 -3.682 7.217 4.197 819 HD21 ASN 105 HD21 ASN 105 -5.170 7.350 1.951 820 HD22 ASN 105 HD22 ASN 105 -6.385 8.616 2.125 821 H GLU 106 H GLU 106 -2.553 4.704 3.354 822 HA GLU 106 HA GLU 106 -2.978 4.719 0.393 823 HB2 GLU 106 HB2 GLU 106 -0.605 5.691 2.013 824 HB3 GLU 106 HB3 GLU 106 -0.659 5.505 0.234 825 HG2 GLU 106 HG2 GLU 106 -2.564 7.074 0.115 826 HG3 GLU 106 HG3 GLU 106 -2.409 7.389 1.855 827 H MET 107 H MET 107 -1.187 3.441 -0.695 828 HA MET 107 HA MET 107 -1.235 0.737 0.386 829 HB2 MET 107 HB2 MET 107 -1.301 1.392 -2.105 830 HB3 MET 107 HB3 MET 107 0.345 1.997 -1.918 831 HG2 MET 107 HG2 MET 107 1.122 -0.285 -1.376 832 HG3 MET 107 HG3 MET 107 -0.544 -0.852 -1.577 833 HE1 MET 107 HE1 MET 107 1.933 1.598 -3.266 834 HE2 MET 107 HE2 MET 107 2.216 0.860 -4.838 835 HE3 MET 107 HE3 MET 107 2.862 0.094 -3.373 836 H ARG 108 H ARG 108 0.490 -0.519 1.105 837 HA ARG 108 HA ARG 108 3.202 0.704 1.453 838 HB2 ARG 108 HB2 ARG 108 1.860 0.847 3.580 839 HB3 ARG 108 HB3 ARG 108 1.557 -0.879 3.517 840 HG2 ARG 108 HG2 ARG 108 3.926 -1.351 3.920 841 HG3 ARG 108 HG3 ARG 108 4.320 0.374 3.866 842 HD2 ARG 108 HD2 ARG 108 4.089 -0.358 6.210 843 HD3 ARG 108 HD3 ARG 108 2.741 0.708 5.812 844 HE ARG 108 HE ARG 108 1.934 -1.962 5.307 845 HH11 ARG 108 HH11 ARG 108 2.657 0.036 8.104 846 HH12 ARG 108 HH12 ARG 108 1.494 -0.761 9.122 847 HH21 ARG 108 HH21 ARG 108 0.376 -2.845 6.583 848 HH22 ARG 108 HH22 ARG 108 0.264 -2.417 8.294 849 H LEU 109 H LEU 109 4.822 -1.057 1.203 850 HA LEU 109 HA LEU 109 3.702 -3.468 -0.148 851 HB2 LEU 109 HB2 LEU 109 6.605 -2.672 0.243 852 HB3 LEU 109 HB3 LEU 109 6.055 -4.083 -0.628 853 HG LEU 109 HG LEU 109 5.464 -1.212 -1.434 854 HD11 LEU 109 HD11 LEU 109 7.391 -3.263 -2.702 855 HD12 LEU 109 HD12 LEU 109 7.887 -1.920 -1.668 856 HD13 LEU 109 HD13 LEU 109 7.114 -1.609 -3.225 857 HD21 LEU 109 HD21 LEU 109 4.908 -3.937 -2.618 858 HD22 LEU 109 HD22 LEU 109 3.759 -2.679 -2.177 859 HD23 LEU 109 HD23 LEU 109 4.782 -2.426 -3.522 860 H LEU 110 H LEU 110 3.813 -5.581 0.660 861 HA LEU 110 HA LEU 110 4.772 -5.620 3.532 862 HB2 LEU 110 HB2 LEU 110 3.011 -7.634 2.056 863 HB3 LEU 110 HB3 LEU 110 3.370 -7.621 3.803 864 HG LEU 110 HG LEU 110 1.850 -5.411 2.329 865 HD11 LEU 110 HD11 LEU 110 -0.090 -6.264 3.505 866 HD12 LEU 110 HD12 LEU 110 0.872 -7.561 4.238 867 HD13 LEU 110 HD13 LEU 110 0.618 -7.536 2.447 868 HD21 LEU 110 HD21 LEU 110 2.426 -5.843 5.289 869 HD22 LEU 110 HD22 LEU 110 1.308 -4.637 4.607 870 HD23 LEU 110 HD23 LEU 110 3.008 -4.480 4.250 871 H SER 111 H SER 111 5.139 -7.605 0.482 872 HA SER 111 HA SER 111 7.795 -8.384 1.509 873 HB2 SER 111 HB2 SER 111 5.709 -10.457 0.630 874 HB3 SER 111 HB3 SER 111 7.420 -10.784 0.983 875 HG SER 111 HG SER 111 5.908 -11.182 2.736 876 H LEU 112 H LEU 112 9.232 -9.036 -0.235 877 HA LEU 112 HA LEU 112 8.043 -8.988 -2.997 878 HB2 LEU 112 HB2 LEU 112 10.659 -7.701 -2.160 879 HB3 LEU 112 HB3 LEU 112 10.142 -7.963 -3.792 880 HG LEU 112 HG LEU 112 8.331 -6.332 -3.494 881 HD11 LEU 112 HD11 LEU 112 8.664 -4.639 -1.591 882 HD12 LEU 112 HD12 LEU 112 9.592 -5.878 -0.759 883 HD13 LEU 112 HD13 LEU 112 7.888 -6.178 -1.143 884 HD21 LEU 112 HD21 LEU 112 10.498 -5.795 -4.511 885 HD22 LEU 112 HD22 LEU 112 11.177 -5.388 -2.939 886 HD23 LEU 112 HD23 LEU 112 9.876 -4.371 -3.656 887 H GLU 113 H GLU 113 8.808 -10.614 -4.318 888 HA GLU 113 HA GLU 113 10.969 -12.381 -3.181 889 HB2 GLU 113 HB2 GLU 113 8.837 -13.534 -3.810 890 HB3 GLU 113 HB3 GLU 113 9.029 -12.950 -5.454 891 HG2 GLU 113 HG2 GLU 113 9.779 -15.188 -5.503 892 HG3 GLU 113 HG3 GLU 113 11.193 -14.144 -5.597 893 H MET 114 H MET 114 12.978 -12.230 -4.140 894 HA MET 114 HA MET 114 13.056 -10.722 -6.709 895 HB2 MET 114 HB2 MET 114 14.687 -10.229 -4.186 896 HB3 MET 114 HB3 MET 114 14.903 -9.337 -5.701 897 HG2 MET 114 HG2 MET 114 12.550 -8.475 -5.443 898 HG3 MET 114 HG3 MET 114 12.414 -9.421 -3.936 899 HE1 MET 114 HE1 MET 114 14.720 -5.610 -4.276 900 HE2 MET 114 HE2 MET 114 14.860 -6.941 -5.448 901 HE3 MET 114 HE3 MET 114 13.344 -6.049 -5.304 902 H LEU 115 H LEU 115 14.981 -10.922 -7.939 903 HA LEU 115 HA LEU 115 16.544 -13.383 -7.384 904 HB2 LEU 115 HB2 LEU 115 16.218 -11.890 -9.980 905 HB3 LEU 115 HB3 LEU 115 17.137 -13.353 -9.739 906 HG LEU 115 HG LEU 115 14.154 -13.111 -9.516 907 HD11 LEU 115 HD11 LEU 115 15.844 -14.466 -11.638 908 HD12 LEU 115 HD12 LEU 115 15.168 -12.859 -11.778 909 HD13 LEU 115 HD13 LEU 115 14.087 -14.271 -11.646 910 HD21 LEU 115 HD21 LEU 115 16.009 -15.509 -9.252 911 HD22 LEU 115 HD22 LEU 115 14.296 -15.646 -9.539 912 HD23 LEU 115 HD23 LEU 115 14.852 -14.927 -8.041 913 H ALA 116 H ALA 116 18.747 -13.220 -6.936 914 HA ALA 116 HA ALA 116 19.872 -10.621 -6.482 915 HB1 ALA 116 HB1 ALA 116 21.914 -11.845 -5.979 916 HB2 ALA 116 HB2 ALA 116 21.320 -13.306 -6.784 917 HB3 ALA 116 HB3 ALA 116 20.539 -12.731 -5.295 918 H GLU 117 H GLU 117 21.550 -9.529 -7.448 919 HA GLU 117 HA GLU 117 21.411 -9.444 -10.341 920 HB2 GLU 117 HB2 GLU 117 22.890 -7.582 -10.148 921 HB3 GLU 117 HB3 GLU 117 21.775 -7.513 -8.815 922 HG2 GLU 117 HG2 GLU 117 23.527 -8.482 -7.316 923 HG3 GLU 117 HG3 GLU 117 24.677 -8.322 -8.685 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -3.546 9.962 -4.942 2 H2 MET 1 H2 MET 1 -2.967 8.464 -4.815 3 H3 MET 1 H3 MET 1 -3.353 9.294 -3.458 4 HA MET 1 HA MET 1 -5.050 7.728 -3.822 5 HB2 MET 1 HB2 MET 1 -5.705 9.964 -3.071 6 HB3 MET 1 HB3 MET 1 -5.976 10.470 -4.757 7 HG2 MET 1 HG2 MET 1 -7.697 8.760 -4.935 8 HG3 MET 1 HG3 MET 1 -7.440 8.282 -3.252 9 HE1 MET 1 HE1 MET 1 -8.260 9.585 -1.174 10 HE2 MET 1 HE2 MET 1 -8.872 11.259 -1.171 11 HE3 MET 1 HE3 MET 1 -7.178 10.934 -1.545 12 H HIS 2 H HIS 2 -4.327 9.669 -6.830 13 HA HIS 2 HA HIS 2 -6.285 8.261 -8.437 14 HB2 HIS 2 HB2 HIS 2 -3.750 9.734 -9.207 15 HB3 HIS 2 HB3 HIS 2 -4.952 9.131 -10.344 16 HD1 HIS 2 HD1 HIS 2 -4.468 12.129 -10.376 17 HD2 HIS 2 HD2 HIS 2 -7.181 10.380 -7.710 18 HE1 HIS 2 HE1 HIS 2 -6.222 13.907 -9.778 19 HE2 HIS 2 HE2 HIS 2 -7.790 12.831 -8.142 20 H GLU 3 H GLU 3 -5.948 6.271 -9.738 21 HA GLU 3 HA GLU 3 -4.279 4.522 -8.266 22 HB2 GLU 3 HB2 GLU 3 -5.486 4.017 -11.046 23 HB3 GLU 3 HB3 GLU 3 -4.902 2.780 -9.887 24 HG2 GLU 3 HG2 GLU 3 -7.258 4.671 -9.582 25 HG3 GLU 3 HG3 GLU 3 -7.353 2.935 -9.899 26 H TYR 4 H TYR 4 -3.759 5.965 -11.511 27 HA TYR 4 HA TYR 4 -1.430 4.365 -12.016 28 HB2 TYR 4 HB2 TYR 4 -2.282 7.062 -13.152 29 HB3 TYR 4 HB3 TYR 4 -1.006 6.049 -13.771 30 HD1 TYR 4 HD1 TYR 4 -1.433 3.924 -15.024 31 HD2 TYR 4 HD2 TYR 4 -4.690 6.365 -13.475 32 HE1 TYR 4 HE1 TYR 4 -3.068 2.639 -16.316 33 HE2 TYR 4 HE2 TYR 4 -6.295 4.963 -14.771 34 HH TYR 4 HH TYR 4 -6.534 3.345 -16.328 35 H SER 5 H SER 5 -2.006 7.329 -10.279 36 HA SER 5 HA SER 5 0.748 8.178 -10.190 37 HB2 SER 5 HB2 SER 5 -1.127 9.699 -9.794 38 HB3 SER 5 HB3 SER 5 -1.545 8.871 -8.326 39 HG SER 5 HG SER 5 0.479 10.661 -8.873 40 H VAL 6 H VAL 6 -1.356 6.190 -8.062 41 HA VAL 6 HA VAL 6 0.624 5.895 -5.954 42 HB VAL 6 HB VAL 6 -1.732 4.071 -6.708 43 HG11 VAL 6 HG11 VAL 6 -1.414 3.320 -4.243 44 HG12 VAL 6 HG12 VAL 6 0.161 4.127 -4.278 45 HG13 VAL 6 HG13 VAL 6 -0.152 2.755 -5.393 46 HG21 VAL 6 HG21 VAL 6 -2.864 5.243 -4.875 47 HG22 VAL 6 HG22 VAL 6 -2.245 6.432 -6.012 48 HG23 VAL 6 HG23 VAL 6 -1.396 6.133 -4.488 49 H VAL 7 H VAL 7 -0.206 4.012 -8.918 50 HA VAL 7 HA VAL 7 1.713 1.938 -8.321 51 HB VAL 7 HB VAL 7 0.426 2.711 -10.981 52 HG11 VAL 7 HG11 VAL 7 1.111 0.485 -11.735 53 HG12 VAL 7 HG12 VAL 7 1.873 0.163 -10.165 54 HG13 VAL 7 HG13 VAL 7 2.533 1.410 -11.266 55 HG21 VAL 7 HG21 VAL 7 -0.209 0.481 -8.980 56 HG22 VAL 7 HG22 VAL 7 -1.023 0.691 -10.497 57 HG23 VAL 7 HG23 VAL 7 -1.217 1.918 -9.253 58 H SER 8 H SER 8 1.856 5.019 -10.122 59 HA SER 8 HA SER 8 4.482 4.599 -11.196 60 HB2 SER 8 HB2 SER 8 3.061 6.415 -11.932 61 HB3 SER 8 HB3 SER 8 3.155 7.189 -10.322 62 HG SER 8 HG SER 8 4.660 8.151 -11.710 63 H SER 9 H SER 9 3.326 5.687 -7.984 64 HA SER 9 HA SER 9 5.996 6.373 -7.096 65 HB2 SER 9 HB2 SER 9 3.874 7.292 -6.125 66 HB3 SER 9 HB3 SER 9 3.484 5.659 -5.501 67 HG SER 9 HG SER 9 5.435 7.519 -4.634 68 H LEU 10 H LEU 10 3.854 3.559 -7.030 69 HA LEU 10 HA LEU 10 5.313 1.927 -5.193 70 HB2 LEU 10 HB2 LEU 10 2.969 1.489 -6.006 71 HB3 LEU 10 HB3 LEU 10 3.625 1.157 -7.597 72 HG LEU 10 HG LEU 10 4.836 -0.773 -6.799 73 HD11 LEU 10 HD11 LEU 10 5.118 -0.213 -4.419 74 HD12 LEU 10 HD12 LEU 10 3.399 -0.444 -4.161 75 HD13 LEU 10 HD13 LEU 10 4.395 -1.824 -4.669 76 HD21 LEU 10 HD21 LEU 10 2.860 -2.206 -6.542 77 HD22 LEU 10 HD22 LEU 10 1.873 -0.792 -6.168 78 HD23 LEU 10 HD23 LEU 10 2.594 -0.979 -7.779 79 H ILE 11 H ILE 11 5.604 2.261 -8.785 80 HA ILE 11 HA ILE 11 7.433 0.062 -8.969 81 HB ILE 11 HB ILE 11 7.266 2.546 -10.773 82 HG12 ILE 11 HG12 ILE 11 5.148 1.238 -10.729 83 HG13 ILE 11 HG13 ILE 11 5.966 1.076 -12.269 84 HG21 ILE 11 HG21 ILE 11 8.303 1.016 -12.487 85 HG22 ILE 11 HG22 ILE 11 9.407 1.392 -11.126 86 HG23 ILE 11 HG23 ILE 11 8.580 -0.183 -11.206 87 HD11 ILE 11 HD11 ILE 11 4.883 -1.065 -11.340 88 HD12 ILE 11 HD12 ILE 11 6.583 -1.207 -11.801 89 HD13 ILE 11 HD13 ILE 11 6.149 -1.063 -10.086 90 H ALA 12 H ALA 12 7.979 3.564 -8.403 91 HA ALA 12 HA ALA 12 10.883 3.321 -8.475 92 HB1 ALA 12 HB1 ALA 12 10.727 5.497 -7.169 93 HB2 ALA 12 HB2 ALA 12 8.968 5.336 -7.258 94 HB3 ALA 12 HB3 ALA 12 9.902 5.489 -8.751 95 H LEU 13 H LEU 13 8.388 3.041 -5.924 96 HA LEU 13 HA LEU 13 10.207 2.873 -3.730 97 HB2 LEU 13 HB2 LEU 13 7.743 3.341 -3.709 98 HB3 LEU 13 HB3 LEU 13 7.454 1.641 -4.094 99 HG LEU 13 HG LEU 13 8.427 0.969 -1.955 100 HD11 LEU 13 HD11 LEU 13 9.947 2.753 -1.400 101 HD12 LEU 13 HD12 LEU 13 8.645 2.763 -0.187 102 HD13 LEU 13 HD13 LEU 13 8.657 3.943 -1.474 103 HD21 LEU 13 HD21 LEU 13 6.187 2.998 -1.951 104 HD22 LEU 13 HD22 LEU 13 6.498 1.856 -0.610 105 HD23 LEU 13 HD23 LEU 13 6.086 1.260 -2.251 106 H CYS 14 H CYS 14 8.855 0.537 -5.987 107 HA CYS 14 HA CYS 14 9.929 -1.789 -4.665 108 HB2 CYS 14 HB2 CYS 14 9.080 -1.328 -7.518 109 HB3 CYS 14 HB3 CYS 14 9.562 -2.857 -6.876 110 HG CYS 14 HG CYS 14 6.963 -1.024 -6.346 111 H GLU 15 H GLU 15 11.155 0.460 -7.193 112 HA GLU 15 HA GLU 15 13.565 -1.082 -7.572 113 HB2 GLU 15 HB2 GLU 15 13.013 1.863 -7.994 114 HB3 GLU 15 HB3 GLU 15 14.465 1.075 -8.530 115 HG2 GLU 15 HG2 GLU 15 13.145 -0.404 -10.008 116 HG3 GLU 15 HG3 GLU 15 11.685 0.399 -9.483 117 H GLU 16 H GLU 16 12.667 1.543 -5.224 118 HA GLU 16 HA GLU 16 15.449 1.723 -4.476 119 HB2 GLU 16 HB2 GLU 16 14.898 3.059 -2.584 120 HB3 GLU 16 HB3 GLU 16 13.891 3.587 -3.953 121 HG2 GLU 16 HG2 GLU 16 12.038 2.350 -2.932 122 HG3 GLU 16 HG3 GLU 16 13.093 1.868 -1.601 123 H HIS 17 H HIS 17 12.753 -0.336 -3.451 124 HA HIS 17 HA HIS 17 14.159 -1.450 -1.123 125 HB2 HIS 17 HB2 HIS 17 11.877 -2.564 -2.807 126 HB3 HIS 17 HB3 HIS 17 12.672 -3.401 -1.484 127 HD1 HIS 17 HD1 HIS 17 12.470 -2.532 0.927 128 HD2 HIS 17 HD2 HIS 17 9.973 -0.641 -1.857 129 HE1 HIS 17 HE1 HIS 17 10.636 -1.314 2.249 130 HE2 HIS 17 HE2 HIS 17 9.212 -0.092 0.573 131 H ALA 18 H ALA 18 14.120 -2.120 -4.643 132 HA ALA 18 HA ALA 18 15.603 -4.537 -4.406 133 HB1 ALA 18 HB1 ALA 18 15.671 -2.506 -6.660 134 HB2 ALA 18 HB2 ALA 18 14.444 -3.797 -6.489 135 HB3 ALA 18 HB3 ALA 18 16.185 -4.199 -6.791 136 H LYS 19 H LYS 19 16.633 -1.116 -4.521 137 HA LYS 19 HA LYS 19 19.443 -1.682 -4.569 138 HB2 LYS 19 HB2 LYS 19 17.955 0.675 -3.447 139 HB3 LYS 19 HB3 LYS 19 19.693 0.635 -3.714 140 HG2 LYS 19 HG2 LYS 19 19.321 0.404 -6.139 141 HG3 LYS 19 HG3 LYS 19 17.576 0.391 -5.838 142 HD2 LYS 19 HD2 LYS 19 17.744 2.620 -4.830 143 HD3 LYS 19 HD3 LYS 19 19.494 2.645 -5.207 144 HE2 LYS 19 HE2 LYS 19 17.259 2.374 -7.195 145 HE3 LYS 19 HE3 LYS 19 18.177 3.873 -6.936 146 HZ1 LYS 19 HZ1 LYS 19 19.153 1.420 -8.223 147 HZ2 LYS 19 HZ2 LYS 19 20.190 2.540 -7.625 148 HZ3 LYS 19 HZ3 LYS 19 19.136 2.955 -8.788 149 H LYS 20 H LYS 20 17.043 -1.298 -1.988 150 HA LYS 20 HA LYS 20 19.028 -1.323 0.099 151 HB2 LYS 20 HB2 LYS 20 16.050 -1.898 0.134 152 HB3 LYS 20 HB3 LYS 20 17.005 -1.724 1.604 153 HG2 LYS 20 HG2 LYS 20 17.524 0.621 0.970 154 HG3 LYS 20 HG3 LYS 20 16.534 0.454 -0.443 155 HD2 LYS 20 HD2 LYS 20 14.574 -0.051 0.996 156 HD3 LYS 20 HD3 LYS 20 15.591 0.242 2.418 157 HE2 LYS 20 HE2 LYS 20 16.005 2.534 1.644 158 HE3 LYS 20 HE3 LYS 20 14.931 2.282 0.237 159 HZ1 LYS 20 HZ1 LYS 20 13.928 1.868 2.968 160 HZ2 LYS 20 HZ2 LYS 20 13.065 2.177 1.606 161 HZ3 LYS 20 HZ3 LYS 20 13.938 3.382 2.323 162 H ASN 21 H ASN 21 17.422 -3.802 -1.705 163 HA ASN 21 HA ASN 21 18.224 -5.788 0.350 164 HB2 ASN 21 HB2 ASN 21 15.832 -5.523 -0.729 165 HB3 ASN 21 HB3 ASN 21 16.525 -6.406 -2.094 166 HD21 ASN 21 HD21 ASN 21 17.926 -8.469 -1.023 167 HD22 ASN 21 HD22 ASN 21 16.917 -9.449 0.033 168 H GLN 22 H GLN 22 19.648 -4.329 -2.168 169 HA GLN 22 HA GLN 22 21.348 -4.902 -3.692 170 HB2 GLN 22 HB2 GLN 22 21.761 -7.162 -1.706 171 HB3 GLN 22 HB3 GLN 22 22.867 -6.676 -2.973 172 HG2 GLN 22 HG2 GLN 22 23.099 -4.476 -2.027 173 HG3 GLN 22 HG3 GLN 22 22.031 -4.932 -0.699 174 HE21 GLN 22 HE21 GLN 22 25.152 -4.353 -1.452 175 HE22 GLN 22 HE22 GLN 22 25.999 -5.500 -0.431 176 H ALA 23 H ALA 23 18.867 -5.472 -4.476 177 HA ALA 23 HA ALA 23 19.056 -8.127 -5.802 178 HB1 ALA 23 HB1 ALA 23 17.267 -8.224 -4.212 179 HB2 ALA 23 HB2 ALA 23 16.558 -8.043 -5.868 180 HB3 ALA 23 HB3 ALA 23 16.658 -6.614 -4.754 181 H HIS 24 H HIS 24 18.205 -8.193 -7.995 182 HA HIS 24 HA HIS 24 18.210 -5.453 -9.268 183 HB2 HIS 24 HB2 HIS 24 19.348 -6.370 -11.158 184 HB3 HIS 24 HB3 HIS 24 20.222 -6.916 -9.711 185 HD1 HIS 24 HD1 HIS 24 18.677 -8.097 -12.816 186 HD2 HIS 24 HD2 HIS 24 19.489 -9.780 -9.058 187 HE1 HIS 24 HE1 HIS 24 18.671 -10.622 -13.123 188 HE2 HIS 24 HE2 HIS 24 19.143 -11.648 -10.854 189 H LYS 25 H LYS 25 16.298 -8.256 -8.802 190 HA LYS 25 HA LYS 25 14.453 -7.374 -10.937 191 HB2 LYS 25 HB2 LYS 25 16.071 -9.072 -11.827 192 HB3 LYS 25 HB3 LYS 25 15.489 -10.217 -10.683 193 HG2 LYS 25 HG2 LYS 25 13.805 -8.964 -12.895 194 HG3 LYS 25 HG3 LYS 25 14.654 -10.496 -13.011 195 HD2 LYS 25 HD2 LYS 25 13.335 -11.424 -11.144 196 HD3 LYS 25 HD3 LYS 25 12.456 -9.910 -11.057 197 HE2 LYS 25 HE2 LYS 25 11.112 -11.420 -12.334 198 HE3 LYS 25 HE3 LYS 25 11.743 -10.165 -13.395 199 HZ1 LYS 25 HZ1 LYS 25 12.714 -12.964 -13.162 200 HZ2 LYS 25 HZ2 LYS 25 13.437 -11.800 -14.117 201 HZ3 LYS 25 HZ3 LYS 25 11.892 -12.295 -14.458 202 H ILE 26 H ILE 26 12.371 -7.551 -10.197 203 HA ILE 26 HA ILE 26 11.997 -9.021 -7.605 204 HB ILE 26 HB ILE 26 10.320 -6.761 -8.860 205 HG12 ILE 26 HG12 ILE 26 12.176 -6.654 -6.443 206 HG13 ILE 26 HG13 ILE 26 12.691 -6.179 -8.062 207 HG21 ILE 26 HG21 ILE 26 10.114 -8.113 -6.086 208 HG22 ILE 26 HG22 ILE 26 9.236 -6.695 -6.577 209 HG23 ILE 26 HG23 ILE 26 8.936 -8.226 -7.428 210 HD11 ILE 26 HD11 ILE 26 10.632 -4.811 -6.346 211 HD12 ILE 26 HD12 ILE 26 10.826 -4.463 -8.062 212 HD13 ILE 26 HD13 ILE 26 12.159 -4.161 -6.932 213 H GLU 27 H GLU 27 10.944 -10.913 -7.683 214 HA GLU 27 HA GLU 27 9.582 -11.577 -10.164 215 HB2 GLU 27 HB2 GLU 27 10.023 -13.186 -7.659 216 HB3 GLU 27 HB3 GLU 27 9.205 -13.798 -9.101 217 HG2 GLU 27 HG2 GLU 27 12.007 -12.781 -9.158 218 HG3 GLU 27 HG3 GLU 27 11.520 -14.463 -8.896 219 H ARG 28 H ARG 28 8.572 -10.720 -6.931 220 HA ARG 28 HA ARG 28 5.758 -10.694 -7.865 221 HB2 ARG 28 HB2 ARG 28 6.147 -12.978 -6.790 222 HB3 ARG 28 HB3 ARG 28 6.606 -12.130 -5.328 223 HG2 ARG 28 HG2 ARG 28 4.322 -11.154 -5.170 224 HG3 ARG 28 HG3 ARG 28 3.864 -12.070 -6.604 225 HD2 ARG 28 HD2 ARG 28 4.754 -13.272 -3.981 226 HD3 ARG 28 HD3 ARG 28 3.090 -13.170 -4.535 227 HE ARG 28 HE ARG 28 5.187 -15.057 -5.441 228 HH11 ARG 28 HH11 ARG 28 4.595 -16.632 -6.890 229 HH12 ARG 28 HH12 ARG 28 2.992 -16.610 -7.615 230 HH21 ARG 28 HH21 ARG 28 1.978 -13.727 -6.099 231 HH22 ARG 28 HH22 ARG 28 1.608 -14.992 -7.241 232 H VAL 29 H VAL 29 4.584 -9.098 -6.816 233 HA VAL 29 HA VAL 29 5.888 -7.629 -4.552 234 HB VAL 29 HB VAL 29 4.267 -6.449 -6.838 235 HG11 VAL 29 HG11 VAL 29 5.581 -5.110 -4.469 236 HG12 VAL 29 HG12 VAL 29 3.835 -5.418 -4.660 237 HG13 VAL 29 HG13 VAL 29 4.649 -4.314 -5.780 238 HG21 VAL 29 HG21 VAL 29 6.280 -5.247 -7.450 239 HG22 VAL 29 HG22 VAL 29 6.590 -6.969 -7.466 240 HG23 VAL 29 HG23 VAL 29 7.192 -6.016 -6.130 241 H VAL 30 H VAL 30 4.529 -7.796 -2.712 242 HA VAL 30 HA VAL 30 1.646 -8.251 -3.408 243 HB VAL 30 HB VAL 30 1.325 -9.537 -1.339 244 HG11 VAL 30 HG11 VAL 30 2.087 -10.625 -3.556 245 HG12 VAL 30 HG12 VAL 30 3.711 -10.718 -2.812 246 HG13 VAL 30 HG13 VAL 30 2.326 -11.566 -2.068 247 HG21 VAL 30 HG21 VAL 30 4.320 -9.517 -0.971 248 HG22 VAL 30 HG22 VAL 30 3.066 -10.223 0.093 249 HG23 VAL 30 HG23 VAL 30 3.191 -8.506 -0.063 250 H VAL 31 H VAL 31 0.253 -6.890 -2.549 251 HA VAL 31 HA VAL 31 1.446 -4.742 -0.852 252 HB VAL 31 HB VAL 31 0.028 -3.049 -2.005 253 HG11 VAL 31 HG11 VAL 31 1.902 -4.607 -3.820 254 HG12 VAL 31 HG12 VAL 31 1.320 -2.926 -4.119 255 HG13 VAL 31 HG13 VAL 31 2.328 -3.270 -2.739 256 HG21 VAL 31 HG21 VAL 31 -0.580 -5.257 -3.986 257 HG22 VAL 31 HG22 VAL 31 -1.090 -3.539 -4.116 258 HG23 VAL 31 HG23 VAL 31 -1.703 -4.573 -2.829 259 H GLY 32 H GLY 32 -0.188 -3.525 0.423 260 HA2 GLY 32 HA2 GLY 32 -2.597 -5.237 0.992 261 HA3 GLY 32 HA3 GLY 32 -1.725 -4.305 2.235 262 H ILE 33 H ILE 33 -4.482 -4.121 0.629 263 HA ILE 33 HA ILE 33 -4.329 -1.154 0.297 264 HB ILE 33 HB ILE 33 -5.930 -3.102 -1.455 265 HG12 ILE 33 HG12 ILE 33 -3.800 -1.015 -2.225 266 HG13 ILE 33 HG13 ILE 33 -3.501 -2.761 -2.127 267 HG21 ILE 33 HG21 ILE 33 -7.218 -1.051 -0.826 268 HG22 ILE 33 HG22 ILE 33 -5.861 -0.046 -1.446 269 HG23 ILE 33 HG23 ILE 33 -6.840 -1.068 -2.525 270 HD11 ILE 33 HD11 ILE 33 -5.163 -1.210 -4.160 271 HD12 ILE 33 HD12 ILE 33 -3.758 -2.257 -4.411 272 HD13 ILE 33 HD13 ILE 33 -5.308 -2.981 -3.984 273 H GLY 34 H GLY 34 -5.662 -0.192 1.674 274 HA2 GLY 34 HA2 GLY 34 -6.849 -1.739 3.686 275 HA3 GLY 34 HA3 GLY 34 -7.097 -0.050 3.460 276 H GLU 35 H GLU 35 -8.902 -2.258 4.292 277 HA GLU 35 HA GLU 35 -10.720 -2.806 2.118 278 HB2 GLU 35 HB2 GLU 35 -12.155 -3.689 3.804 279 HB3 GLU 35 HB3 GLU 35 -10.489 -4.119 4.249 280 HG2 GLU 35 HG2 GLU 35 -10.502 -2.242 5.860 281 HG3 GLU 35 HG3 GLU 35 -12.164 -1.932 5.455 282 H ARG 36 H ARG 36 -10.141 0.011 4.015 283 HA ARG 36 HA ARG 36 -12.727 1.248 3.128 284 HB2 ARG 36 HB2 ARG 36 -10.870 2.035 5.366 285 HB3 ARG 36 HB3 ARG 36 -12.326 2.916 4.924 286 HG2 ARG 36 HG2 ARG 36 -13.652 0.861 5.515 287 HG3 ARG 36 HG3 ARG 36 -12.144 0.102 6.030 288 HD2 ARG 36 HD2 ARG 36 -11.785 1.963 7.688 289 HD3 ARG 36 HD3 ARG 36 -13.335 2.642 7.183 290 HE ARG 36 HE ARG 36 -12.877 0.287 8.883 291 HH11 ARG 36 HH11 ARG 36 -15.263 1.959 6.859 292 HH12 ARG 36 HH12 ARG 36 -16.606 1.244 7.687 293 HH21 ARG 36 HH21 ARG 36 -14.697 -0.708 9.815 294 HH22 ARG 36 HH22 ARG 36 -16.278 -0.319 9.280 295 H SER 37 H SER 37 -9.964 0.860 1.804 296 HA SER 37 HA SER 37 -8.842 3.540 1.621 297 HB2 SER 37 HB2 SER 37 -7.512 2.632 -0.154 298 HB3 SER 37 HB3 SER 37 -7.557 1.431 1.189 299 HG SER 37 HG SER 37 -8.857 0.149 0.055 300 H ALA 38 H ALA 38 -8.671 4.868 -0.150 301 HA ALA 38 HA ALA 38 -11.211 5.348 -1.531 302 HB1 ALA 38 HB1 ALA 38 -8.428 6.628 -1.899 303 HB2 ALA 38 HB2 ALA 38 -9.663 7.173 -0.730 304 HB3 ALA 38 HB3 ALA 38 -9.998 7.299 -2.475 305 H MET 39 H MET 39 -8.465 3.380 -2.164 306 HA MET 39 HA MET 39 -8.326 3.785 -5.020 307 HB2 MET 39 HB2 MET 39 -7.154 1.686 -3.205 308 HB3 MET 39 HB3 MET 39 -6.733 1.892 -4.925 309 HG2 MET 39 HG2 MET 39 -5.977 4.138 -4.478 310 HG3 MET 39 HG3 MET 39 -6.388 3.992 -2.743 311 HE1 MET 39 HE1 MET 39 -3.883 3.228 -5.452 312 HE2 MET 39 HE2 MET 39 -3.007 1.774 -4.852 313 HE3 MET 39 HE3 MET 39 -4.716 1.675 -5.336 314 H ASP 40 H ASP 40 -8.653 2.536 -6.718 315 HA ASP 40 HA ASP 40 -10.835 0.512 -6.459 316 HB2 ASP 40 HB2 ASP 40 -11.065 2.487 -8.029 317 HB3 ASP 40 HB3 ASP 40 -9.682 1.841 -8.938 318 H LYS 41 H LYS 41 -10.152 -1.586 -6.423 319 HA LYS 41 HA LYS 41 -7.456 -2.381 -6.999 320 HB2 LYS 41 HB2 LYS 41 -10.022 -3.960 -6.710 321 HB3 LYS 41 HB3 LYS 41 -8.411 -4.672 -6.866 322 HG2 LYS 41 HG2 LYS 41 -7.714 -3.665 -4.730 323 HG3 LYS 41 HG3 LYS 41 -9.272 -2.832 -4.559 324 HD2 LYS 41 HD2 LYS 41 -9.307 -4.855 -3.194 325 HD3 LYS 41 HD3 LYS 41 -10.368 -5.132 -4.603 326 HE2 LYS 41 HE2 LYS 41 -8.600 -6.385 -5.710 327 HE3 LYS 41 HE3 LYS 41 -7.497 -6.133 -4.323 328 HZ1 LYS 41 HZ1 LYS 41 -8.600 -8.277 -4.414 329 HZ2 LYS 41 HZ2 LYS 41 -10.068 -7.527 -4.214 330 HZ3 LYS 41 HZ3 LYS 41 -8.921 -7.432 -3.029 331 H SER 42 H SER 42 -10.303 -2.349 -9.137 332 HA SER 42 HA SER 42 -9.032 -4.254 -10.962 333 HB2 SER 42 HB2 SER 42 -11.531 -3.937 -10.875 334 HB3 SER 42 HB3 SER 42 -11.345 -2.265 -11.415 335 HG SER 42 HG SER 42 -11.578 -3.163 -13.332 336 H LEU 43 H LEU 43 -9.262 -0.722 -10.696 337 HA LEU 43 HA LEU 43 -7.798 -0.301 -13.166 338 HB2 LEU 43 HB2 LEU 43 -8.402 1.496 -10.828 339 HB3 LEU 43 HB3 LEU 43 -7.666 2.016 -12.329 340 HG LEU 43 HG LEU 43 -10.468 0.924 -12.163 341 HD11 LEU 43 HD11 LEU 43 -10.145 3.103 -10.985 342 HD12 LEU 43 HD12 LEU 43 -11.139 3.270 -12.460 343 HD13 LEU 43 HD13 LEU 43 -9.419 3.787 -12.501 344 HD21 LEU 43 HD21 LEU 43 -10.671 1.841 -14.441 345 HD22 LEU 43 HD22 LEU 43 -9.507 0.547 -14.375 346 HD23 LEU 43 HD23 LEU 43 -8.970 2.217 -14.460 347 H PHE 44 H PHE 44 -7.044 -0.840 -9.781 348 HA PHE 44 HA PHE 44 -4.384 0.230 -9.955 349 HB2 PHE 44 HB2 PHE 44 -5.544 -0.180 -7.829 350 HB3 PHE 44 HB3 PHE 44 -5.436 -1.910 -8.144 351 HD1 PHE 44 HD1 PHE 44 -3.417 1.108 -7.414 352 HD2 PHE 44 HD2 PHE 44 -3.487 -3.169 -7.736 353 HE1 PHE 44 HE1 PHE 44 -1.199 1.020 -6.299 354 HE2 PHE 44 HE2 PHE 44 -1.281 -3.260 -6.603 355 HZ PHE 44 HZ PHE 44 -0.177 -1.213 -5.847 356 H VAL 45 H VAL 45 -5.727 -3.084 -10.388 357 HA VAL 45 HA VAL 45 -3.044 -4.138 -10.872 358 HB VAL 45 HB VAL 45 -4.152 -6.219 -11.681 359 HG11 VAL 45 HG11 VAL 45 -5.563 -5.127 -9.218 360 HG12 VAL 45 HG12 VAL 45 -3.912 -5.813 -9.243 361 HG13 VAL 45 HG13 VAL 45 -5.301 -6.863 -9.634 362 HG21 VAL 45 HG21 VAL 45 -6.628 -6.480 -11.631 363 HG22 VAL 45 HG22 VAL 45 -6.107 -5.298 -12.862 364 HG23 VAL 45 HG23 VAL 45 -6.781 -4.729 -11.326 365 H SER 46 H SER 46 -5.459 -2.510 -12.862 366 HA SER 46 HA SER 46 -4.377 -3.472 -15.424 367 HB2 SER 46 HB2 SER 46 -6.715 -2.502 -15.191 368 HB3 SER 46 HB3 SER 46 -6.041 -0.945 -14.715 369 HG SER 46 HG SER 46 -5.486 -2.271 -17.147 370 H ALA 47 H ALA 47 -3.991 -0.670 -13.192 371 HA ALA 47 HA ALA 47 -2.147 0.756 -14.901 372 HB1 ALA 47 HB1 ALA 47 -1.566 1.944 -12.755 373 HB2 ALA 47 HB2 ALA 47 -2.646 0.818 -11.879 374 HB3 ALA 47 HB3 ALA 47 -3.324 1.940 -13.108 375 H PHE 48 H PHE 48 -1.763 -1.773 -12.430 376 HA PHE 48 HA PHE 48 1.077 -1.425 -12.232 377 HB2 PHE 48 HB2 PHE 48 -0.289 -2.666 -10.574 378 HB3 PHE 48 HB3 PHE 48 -0.472 -3.946 -11.728 379 HD1 PHE 48 HD1 PHE 48 1.860 -2.233 -9.458 380 HD2 PHE 48 HD2 PHE 48 1.382 -5.395 -12.300 381 HE1 PHE 48 HE1 PHE 48 4.053 -3.222 -8.719 382 HE2 PHE 48 HE2 PHE 48 3.577 -6.368 -11.613 383 HZ PHE 48 HZ PHE 48 4.909 -5.275 -9.784 384 H GLU 49 H GLU 49 -0.947 -3.411 -14.390 385 HA GLU 49 HA GLU 49 1.309 -4.761 -15.607 386 HB2 GLU 49 HB2 GLU 49 -1.502 -4.240 -16.657 387 HB3 GLU 49 HB3 GLU 49 -0.313 -5.282 -17.431 388 HG2 GLU 49 HG2 GLU 49 -0.227 -6.683 -15.417 389 HG3 GLU 49 HG3 GLU 49 -1.441 -5.741 -14.656 390 H THR 50 H THR 50 -0.417 -1.688 -16.203 391 HA THR 50 HA THR 50 0.796 -1.048 -18.726 392 HB THR 50 HB THR 50 -0.280 0.801 -16.541 393 HG1 THR 50 HG1 THR 50 -1.793 -0.789 -17.247 394 HG21 THR 50 HG21 THR 50 0.091 1.184 -19.522 395 HG22 THR 50 HG22 THR 50 1.085 1.953 -18.258 396 HG23 THR 50 HG23 THR 50 -0.676 2.331 -18.383 397 H PHE 51 H PHE 51 1.726 -0.456 -15.359 398 HA PHE 51 HA PHE 51 4.138 1.026 -16.038 399 HB2 PHE 51 HB2 PHE 51 2.870 0.108 -13.418 400 HB3 PHE 51 HB3 PHE 51 4.499 0.686 -13.542 401 HD1 PHE 51 HD1 PHE 51 1.027 1.939 -13.803 402 HD2 PHE 51 HD2 PHE 51 5.214 2.862 -14.096 403 HE1 PHE 51 HE1 PHE 51 0.481 4.322 -13.849 404 HE2 PHE 51 HE2 PHE 51 4.662 5.291 -14.212 405 HZ PHE 51 HZ PHE 51 2.268 6.014 -14.156 406 H ARG 52 H ARG 52 3.491 -2.478 -15.615 407 HA ARG 52 HA ARG 52 6.078 -3.169 -14.625 408 HB2 ARG 52 HB2 ARG 52 4.435 -4.648 -16.697 409 HB3 ARG 52 HB3 ARG 52 5.848 -5.329 -15.844 410 HG2 ARG 52 HG2 ARG 52 4.674 -5.429 -13.799 411 HG3 ARG 52 HG3 ARG 52 3.250 -4.670 -14.537 412 HD2 ARG 52 HD2 ARG 52 3.185 -6.467 -16.232 413 HD3 ARG 52 HD3 ARG 52 4.529 -7.269 -15.385 414 HE ARG 52 HE ARG 52 2.428 -6.858 -13.550 415 HH11 ARG 52 HH11 ARG 52 3.055 -8.783 -16.465 416 HH12 ARG 52 HH12 ARG 52 1.915 -10.010 -15.971 417 HH21 ARG 52 HH21 ARG 52 0.986 -8.534 -13.051 418 HH22 ARG 52 HH22 ARG 52 0.768 -9.849 -14.169 419 H GLU 53 H GLU 53 5.134 -2.184 -17.834 420 HA GLU 53 HA GLU 53 7.516 -3.238 -19.073 421 HB2 GLU 53 HB2 GLU 53 5.547 -1.083 -19.908 422 HB3 GLU 53 HB3 GLU 53 6.760 -1.853 -20.939 423 HG2 GLU 53 HG2 GLU 53 4.367 -3.186 -19.591 424 HG3 GLU 53 HG3 GLU 53 4.560 -2.857 -21.327 425 H GLU 54 H GLU 54 6.775 -0.314 -17.283 426 HA GLU 54 HA GLU 54 8.644 1.455 -18.466 427 HB2 GLU 54 HB2 GLU 54 7.552 1.229 -15.632 428 HB3 GLU 54 HB3 GLU 54 8.518 2.589 -16.189 429 HG2 GLU 54 HG2 GLU 54 6.082 1.763 -17.681 430 HG3 GLU 54 HG3 GLU 54 5.931 2.730 -16.166 431 H SER 55 H SER 55 9.235 -1.165 -16.139 432 HA SER 55 HA SER 55 12.069 -0.419 -16.215 433 HB2 SER 55 HB2 SER 55 11.179 0.628 -14.131 434 HB3 SER 55 HB3 SER 55 10.557 -0.909 -13.600 435 HG SER 55 HG SER 55 12.789 -0.090 -12.917 436 H LEU 56 H LEU 56 13.419 -2.162 -16.307 437 HA LEU 56 HA LEU 56 12.408 -4.753 -16.907 438 HB2 LEU 56 HB2 LEU 56 14.527 -3.741 -17.585 439 HB3 LEU 56 HB3 LEU 56 15.144 -3.936 -15.960 440 HG LEU 56 HG LEU 56 16.071 -5.484 -17.568 441 HD11 LEU 56 HD11 LEU 56 15.880 -6.107 -15.112 442 HD12 LEU 56 HD12 LEU 56 16.012 -7.465 -16.203 443 HD13 LEU 56 HD13 LEU 56 14.457 -7.038 -15.525 444 HD21 LEU 56 HD21 LEU 56 14.743 -7.328 -18.480 445 HD22 LEU 56 HD22 LEU 56 14.101 -5.728 -18.992 446 HD23 LEU 56 HD23 LEU 56 13.277 -6.654 -17.705 447 H VAL 57 H VAL 57 13.529 -3.238 -13.978 448 HA VAL 57 HA VAL 57 13.947 -5.482 -12.320 449 HB VAL 57 HB VAL 57 12.943 -2.699 -11.560 450 HG11 VAL 57 HG11 VAL 57 13.852 -3.126 -9.310 451 HG12 VAL 57 HG12 VAL 57 14.307 -4.782 -9.793 452 HG13 VAL 57 HG13 VAL 57 12.595 -4.342 -9.711 453 HG21 VAL 57 HG21 VAL 57 15.055 -2.662 -12.796 454 HG22 VAL 57 HG22 VAL 57 15.363 -2.258 -11.067 455 HG23 VAL 57 HG23 VAL 57 15.740 -3.871 -11.731 456 H CYS 58 H CYS 58 10.845 -3.738 -13.064 457 HA CYS 58 HA CYS 58 9.450 -5.715 -11.329 458 HB2 CYS 58 HB2 CYS 58 8.558 -3.022 -12.437 459 HB3 CYS 58 HB3 CYS 58 7.557 -4.080 -11.414 460 HG CYS 58 HG CYS 58 9.108 -4.105 -9.394 461 H LYS 59 H LYS 59 10.254 -5.664 -14.503 462 HA LYS 59 HA LYS 59 7.715 -5.579 -15.809 463 HB2 LYS 59 HB2 LYS 59 9.922 -5.199 -16.828 464 HB3 LYS 59 HB3 LYS 59 10.225 -6.945 -16.787 465 HG2 LYS 59 HG2 LYS 59 8.301 -7.327 -18.273 466 HG3 LYS 59 HG3 LYS 59 7.818 -5.668 -18.082 467 HD2 LYS 59 HD2 LYS 59 8.919 -5.754 -20.240 468 HD3 LYS 59 HD3 LYS 59 9.961 -4.915 -19.101 469 HE2 LYS 59 HE2 LYS 59 11.330 -6.964 -18.809 470 HE3 LYS 59 HE3 LYS 59 10.262 -7.809 -19.958 471 HZ1 LYS 59 HZ1 LYS 59 10.787 -6.234 -21.648 472 HZ2 LYS 59 HZ2 LYS 59 12.180 -6.960 -21.123 473 HZ3 LYS 59 HZ3 LYS 59 11.818 -5.419 -20.647 474 H ASP 60 H ASP 60 9.469 -8.455 -14.468 475 HA ASP 60 HA ASP 60 7.256 -10.174 -15.458 476 HB2 ASP 60 HB2 ASP 60 9.892 -10.701 -14.123 477 HB3 ASP 60 HB3 ASP 60 8.740 -11.989 -14.547 478 H ALA 61 H ALA 61 7.422 -8.125 -12.980 479 HA ALA 61 HA ALA 61 7.189 -9.787 -10.657 480 HB1 ALA 61 HB1 ALA 61 6.233 -7.760 -9.607 481 HB2 ALA 61 HB2 ALA 61 7.716 -7.393 -10.547 482 HB3 ALA 61 HB3 ALA 61 6.081 -7.024 -11.203 483 H ILE 62 H ILE 62 5.338 -10.523 -9.517 484 HA ILE 62 HA ILE 62 2.768 -10.615 -11.052 485 HB ILE 62 HB ILE 62 3.792 -12.401 -8.780 486 HG12 ILE 62 HG12 ILE 62 3.398 -13.073 -11.725 487 HG13 ILE 62 HG13 ILE 62 4.955 -12.665 -11.040 488 HG21 ILE 62 HG21 ILE 62 1.768 -13.755 -9.164 489 HG22 ILE 62 HG22 ILE 62 1.338 -12.072 -8.832 490 HG23 ILE 62 HG23 ILE 62 1.286 -12.651 -10.480 491 HD11 ILE 62 HD11 ILE 62 4.859 -14.612 -9.571 492 HD12 ILE 62 HD12 ILE 62 4.683 -15.094 -11.280 493 HD13 ILE 62 HD13 ILE 62 3.267 -15.080 -10.210 494 H LEU 63 H LEU 63 1.059 -9.475 -10.075 495 HA LEU 63 HA LEU 63 1.728 -8.168 -7.495 496 HB2 LEU 63 HB2 LEU 63 1.366 -6.795 -9.497 497 HB3 LEU 63 HB3 LEU 63 -0.282 -7.458 -9.675 498 HG LEU 63 HG LEU 63 -0.180 -5.119 -8.899 499 HD11 LEU 63 HD11 LEU 63 -2.071 -6.612 -8.287 500 HD12 LEU 63 HD12 LEU 63 -1.844 -5.195 -7.266 501 HD13 LEU 63 HD13 LEU 63 -1.380 -6.784 -6.681 502 HD21 LEU 63 HD21 LEU 63 1.114 -6.250 -6.384 503 HD22 LEU 63 HD22 LEU 63 0.501 -4.610 -6.594 504 HD23 LEU 63 HD23 LEU 63 1.876 -5.184 -7.573 505 H ASP 64 H ASP 64 0.668 -8.623 -5.712 506 HA ASP 64 HA ASP 64 -2.015 -10.044 -5.907 507 HB2 ASP 64 HB2 ASP 64 0.161 -10.405 -3.843 508 HB3 ASP 64 HB3 ASP 64 -1.494 -11.020 -3.671 509 H ILE 65 H ILE 65 -3.613 -9.220 -4.440 510 HA ILE 65 HA ILE 65 -2.734 -6.836 -2.835 511 HB ILE 65 HB ILE 65 -5.450 -7.322 -4.202 512 HG12 ILE 65 HG12 ILE 65 -3.378 -5.200 -4.854 513 HG13 ILE 65 HG13 ILE 65 -3.524 -6.693 -5.736 514 HG21 ILE 65 HG21 ILE 65 -5.753 -6.118 -2.082 515 HG22 ILE 65 HG22 ILE 65 -6.020 -5.003 -3.419 516 HG23 ILE 65 HG23 ILE 65 -4.492 -4.907 -2.558 517 HD11 ILE 65 HD11 ILE 65 -5.787 -6.107 -6.465 518 HD12 ILE 65 HD12 ILE 65 -5.713 -4.568 -5.543 519 HD13 ILE 65 HD13 ILE 65 -4.637 -4.822 -6.931 520 H VAL 66 H VAL 66 -3.083 -6.925 -0.787 521 HA VAL 66 HA VAL 66 -4.871 -9.067 0.324 522 HB VAL 66 HB VAL 66 -2.550 -7.549 1.592 523 HG11 VAL 66 HG11 VAL 66 -4.200 -9.841 2.706 524 HG12 VAL 66 HG12 VAL 66 -2.747 -9.167 3.470 525 HG13 VAL 66 HG13 VAL 66 -4.212 -8.157 3.299 526 HG21 VAL 66 HG21 VAL 66 -1.433 -9.794 1.544 527 HG22 VAL 66 HG22 VAL 66 -1.628 -9.077 -0.032 528 HG23 VAL 66 HG23 VAL 66 -2.741 -10.359 0.503 529 H ASP 67 H ASP 67 -6.660 -8.451 1.336 530 HA ASP 67 HA ASP 67 -7.267 -5.580 1.571 531 HB2 ASP 67 HB2 ASP 67 -8.820 -8.069 2.416 532 HB3 ASP 67 HB3 ASP 67 -9.397 -6.409 2.611 533 H GLU 68 H GLU 68 -6.757 -4.325 3.340 534 HA GLU 68 HA GLU 68 -6.347 -5.743 5.900 535 HB2 GLU 68 HB2 GLU 68 -4.682 -3.500 4.791 536 HB3 GLU 68 HB3 GLU 68 -4.514 -4.191 6.401 537 HG2 GLU 68 HG2 GLU 68 -4.000 -6.390 5.484 538 HG3 GLU 68 HG3 GLU 68 -4.015 -5.671 3.831 539 H LYS 69 H LYS 69 -6.623 -4.652 7.892 540 HA LYS 69 HA LYS 69 -8.803 -2.702 7.831 541 HB2 LYS 69 HB2 LYS 69 -7.219 -4.106 10.031 542 HB3 LYS 69 HB3 LYS 69 -8.295 -2.776 10.373 543 HG2 LYS 69 HG2 LYS 69 -9.562 -4.794 10.763 544 HG3 LYS 69 HG3 LYS 69 -10.187 -3.987 9.310 545 HD2 LYS 69 HD2 LYS 69 -8.988 -5.669 7.866 546 HD3 LYS 69 HD3 LYS 69 -8.431 -6.491 9.354 547 HE2 LYS 69 HE2 LYS 69 -11.350 -6.107 8.577 548 HE3 LYS 69 HE3 LYS 69 -10.422 -7.641 8.452 549 HZ1 LYS 69 HZ1 LYS 69 -10.182 -7.425 10.904 550 HZ2 LYS 69 HZ2 LYS 69 -11.747 -7.648 10.456 551 HZ3 LYS 69 HZ3 LYS 69 -11.206 -6.145 10.923 552 H VAL 70 H VAL 70 -8.736 -0.657 8.624 553 HA VAL 70 HA VAL 70 -6.392 0.940 8.113 554 HB VAL 70 HB VAL 70 -7.741 2.856 8.917 555 HG11 VAL 70 HG11 VAL 70 -9.415 0.963 7.242 556 HG12 VAL 70 HG12 VAL 70 -8.129 2.091 6.659 557 HG13 VAL 70 HG13 VAL 70 -9.617 2.729 7.394 558 HG21 VAL 70 HG21 VAL 70 -8.895 2.020 10.844 559 HG22 VAL 70 HG22 VAL 70 -10.146 2.399 9.678 560 HG23 VAL 70 HG23 VAL 70 -9.660 0.701 9.914 561 H GLU 71 H GLU 71 -5.368 2.450 9.482 562 HA GLU 71 HA GLU 71 -5.344 1.713 12.412 563 HB2 GLU 71 HB2 GLU 71 -3.216 1.039 11.167 564 HB3 GLU 71 HB3 GLU 71 -2.934 2.722 10.743 565 HG2 GLU 71 HG2 GLU 71 -2.818 3.339 13.170 566 HG3 GLU 71 HG3 GLU 71 -3.098 1.625 13.561 567 H LEU 72 H LEU 72 -5.387 3.654 13.786 568 HA LEU 72 HA LEU 72 -6.008 6.104 12.163 569 HB2 LEU 72 HB2 LEU 72 -7.336 5.204 14.735 570 HB3 LEU 72 HB3 LEU 72 -7.723 6.675 13.855 571 HG LEU 72 HG LEU 72 -8.233 3.875 12.870 572 HD11 LEU 72 HD11 LEU 72 -10.034 6.001 14.122 573 HD12 LEU 72 HD12 LEU 72 -9.535 4.484 14.894 574 HD13 LEU 72 HD13 LEU 72 -10.553 4.457 13.428 575 HD21 LEU 72 HD21 LEU 72 -8.941 6.624 11.772 576 HD22 LEU 72 HD22 LEU 72 -7.972 5.380 10.997 577 HD23 LEU 72 HD23 LEU 72 -9.689 5.084 11.203 578 H GLU 73 H GLU 73 -5.527 8.037 12.762 579 HA GLU 73 HA GLU 73 -3.967 8.499 15.257 580 HB2 GLU 73 HB2 GLU 73 -2.440 8.391 13.300 581 HB3 GLU 73 HB3 GLU 73 -3.411 9.651 12.493 582 HG2 GLU 73 HG2 GLU 73 -2.836 11.244 14.306 583 HG3 GLU 73 HG3 GLU 73 -1.795 10.026 15.080 584 H CYS 74 H CYS 74 -4.443 10.637 16.121 585 HA CYS 74 HA CYS 74 -6.988 11.759 15.155 586 HB2 CYS 74 HB2 CYS 74 -6.923 10.780 17.451 587 HB3 CYS 74 HB3 CYS 74 -5.676 11.958 17.871 588 H LYS 75 H LYS 75 -7.114 14.051 14.802 589 HA LYS 75 HA LYS 75 -4.629 15.293 13.912 590 HB2 LYS 75 HB2 LYS 75 -7.315 16.570 14.660 591 HB3 LYS 75 HB3 LYS 75 -5.979 17.439 13.945 592 HG2 LYS 75 HG2 LYS 75 -6.013 15.849 12.007 593 HG3 LYS 75 HG3 LYS 75 -7.440 15.131 12.701 594 HD2 LYS 75 HD2 LYS 75 -8.191 16.485 10.983 595 HD3 LYS 75 HD3 LYS 75 -8.569 17.357 12.488 596 HE2 LYS 75 HE2 LYS 75 -6.527 18.722 12.177 597 HE3 LYS 75 HE3 LYS 75 -6.176 17.838 10.699 598 HZ1 LYS 75 HZ1 LYS 75 -8.581 19.532 11.176 599 HZ2 LYS 75 HZ2 LYS 75 -8.290 18.644 9.819 600 HZ3 LYS 75 HZ3 LYS 75 -7.294 19.896 10.192 601 H ASP 76 H ASP 76 -3.445 16.969 15.285 602 HA ASP 76 HA ASP 76 -2.249 15.349 17.010 603 HB2 ASP 76 HB2 ASP 76 -2.433 18.345 17.284 604 HB3 ASP 76 HB3 ASP 76 -1.223 17.400 18.054 605 H CYS 77 H CYS 77 -3.213 14.187 18.119 606 HA CYS 77 HA CYS 77 -3.592 14.560 20.960 607 HB2 CYS 77 HB2 CYS 77 -5.880 14.931 20.010 608 HB3 CYS 77 HB3 CYS 77 -5.699 13.506 19.019 609 H SER 78 H SER 78 -2.134 12.849 21.615 610 HA SER 78 HA SER 78 -1.227 10.984 19.574 611 HB2 SER 78 HB2 SER 78 0.318 12.165 21.038 612 HB3 SER 78 HB3 SER 78 -0.420 11.309 22.439 613 HG SER 78 HG SER 78 1.534 10.380 21.602 614 H HIS 79 H HIS 79 -2.611 9.214 19.164 615 HA HIS 79 HA HIS 79 -3.103 7.486 21.453 616 HB2 HIS 79 HB2 HIS 79 -5.395 7.291 21.110 617 HB3 HIS 79 HB3 HIS 79 -5.122 9.031 20.810 618 HD1 HIS 79 HD1 HIS 79 -5.095 9.725 18.144 619 HD2 HIS 79 HD2 HIS 79 -6.638 5.994 19.150 620 HE1 HIS 79 HE1 HIS 79 -6.489 8.923 16.139 621 HE2 HIS 79 HE2 HIS 79 -7.402 6.685 16.784 622 H VAL 80 H VAL 80 -1.484 7.149 18.704 623 HA VAL 80 HA VAL 80 -3.276 5.839 16.979 624 HB VAL 80 HB VAL 80 -0.196 5.757 17.025 625 HG11 VAL 80 HG11 VAL 80 -0.372 5.353 14.589 626 HG12 VAL 80 HG12 VAL 80 -1.018 4.019 15.529 627 HG13 VAL 80 HG13 VAL 80 -2.146 5.170 14.773 628 HG21 VAL 80 HG21 VAL 80 -2.178 7.679 15.810 629 HG22 VAL 80 HG22 VAL 80 -0.488 7.581 15.329 630 HG23 VAL 80 HG23 VAL 80 -0.894 8.032 16.965 631 H PHE 81 H PHE 81 -3.852 3.925 16.644 632 HA PHE 81 HA PHE 81 -2.526 1.508 17.561 633 HB2 PHE 81 HB2 PHE 81 -4.240 0.812 19.078 634 HB3 PHE 81 HB3 PHE 81 -3.814 2.484 19.561 635 HD1 PHE 81 HD1 PHE 81 -5.396 4.304 18.023 636 HD2 PHE 81 HD2 PHE 81 -6.415 0.283 19.242 637 HE1 PHE 81 HE1 PHE 81 -7.807 4.807 17.733 638 HE2 PHE 81 HE2 PHE 81 -8.839 0.831 19.073 639 HZ PHE 81 HZ PHE 81 -9.531 3.147 18.303 640 H LYS 82 H LYS 82 -3.890 -0.388 16.696 641 HA LYS 82 HA LYS 82 -5.528 0.549 14.375 642 HB2 LYS 82 HB2 LYS 82 -4.604 -2.224 15.165 643 HB3 LYS 82 HB3 LYS 82 -5.568 -1.855 13.712 644 HG2 LYS 82 HG2 LYS 82 -3.713 -0.455 12.862 645 HG3 LYS 82 HG3 LYS 82 -2.692 -0.884 14.266 646 HD2 LYS 82 HD2 LYS 82 -2.938 -3.292 13.556 647 HD3 LYS 82 HD3 LYS 82 -3.910 -2.775 12.189 648 HE2 LYS 82 HE2 LYS 82 -1.664 -3.133 11.431 649 HE3 LYS 82 HE3 LYS 82 -1.992 -1.383 11.368 650 HZ1 LYS 82 HZ1 LYS 82 -0.898 -1.167 13.531 651 HZ2 LYS 82 HZ2 LYS 82 0.146 -1.746 12.375 652 HZ3 LYS 82 HZ3 LYS 82 -0.490 -2.792 13.497 653 HA PRO 83 HA PRO 83 -8.946 -0.024 17.149 654 HB2 PRO 83 HB2 PRO 83 -11.046 0.424 15.528 655 HB3 PRO 83 HB3 PRO 83 -9.970 1.718 15.997 656 HG2 PRO 83 HG2 PRO 83 -9.914 0.073 13.505 657 HG3 PRO 83 HG3 PRO 83 -9.910 1.884 13.635 658 HD2 PRO 83 HD2 PRO 83 -7.605 0.531 13.352 659 HD3 PRO 83 HD3 PRO 83 -7.711 1.956 14.451 660 H ASN 84 H ASN 84 -10.586 -1.504 17.702 661 HA ASN 84 HA ASN 84 -10.908 -3.831 15.915 662 HB2 ASN 84 HB2 ASN 84 -10.536 -5.379 17.676 663 HB3 ASN 84 HB3 ASN 84 -9.128 -4.305 17.546 664 HD21 ASN 84 HD21 ASN 84 -10.876 -5.948 19.648 665 HD22 ASN 84 HD22 ASN 84 -10.932 -4.847 21.008 666 H ALA 85 H ALA 85 -12.594 -1.513 16.547 667 HA ALA 85 HA ALA 85 -15.007 -2.896 17.510 668 HB1 ALA 85 HB1 ALA 85 -15.539 -0.938 18.933 669 HB2 ALA 85 HB2 ALA 85 -13.872 -0.325 18.635 670 HB3 ALA 85 HB3 ALA 85 -14.142 -1.853 19.509 671 H LEU 86 H LEU 86 -16.903 -1.421 16.989 672 HA LEU 86 HA LEU 86 -16.604 -0.576 14.250 673 HB2 LEU 86 HB2 LEU 86 -18.993 -0.553 16.023 674 HB3 LEU 86 HB3 LEU 86 -18.963 -0.303 14.299 675 HG LEU 86 HG LEU 86 -18.186 -2.844 15.676 676 HD11 LEU 86 HD11 LEU 86 -20.401 -3.645 14.763 677 HD12 LEU 86 HD12 LEU 86 -20.730 -2.048 14.111 678 HD13 LEU 86 HD13 LEU 86 -20.646 -2.266 15.869 679 HD21 LEU 86 HD21 LEU 86 -18.619 -2.234 12.745 680 HD22 LEU 86 HD22 LEU 86 -17.117 -2.644 13.521 681 HD23 LEU 86 HD23 LEU 86 -18.384 -3.856 13.426 682 H ASP 87 H ASP 87 -15.756 1.071 16.899 683 HA ASP 87 HA ASP 87 -17.106 3.585 16.307 684 HB2 ASP 87 HB2 ASP 87 -15.031 2.844 18.314 685 HB3 ASP 87 HB3 ASP 87 -15.670 4.512 18.081 686 H TYR 88 H TYR 88 -15.800 2.688 14.048 687 HA TYR 88 HA TYR 88 -13.199 3.835 13.664 688 HB2 TYR 88 HB2 TYR 88 -15.482 3.299 11.683 689 HB3 TYR 88 HB3 TYR 88 -13.827 3.762 11.255 690 HD1 TYR 88 HD1 TYR 88 -11.920 2.216 11.538 691 HD2 TYR 88 HD2 TYR 88 -15.924 0.984 12.455 692 HE1 TYR 88 HE1 TYR 88 -11.190 -0.208 11.624 693 HE2 TYR 88 HE2 TYR 88 -15.149 -1.433 12.530 694 HH TYR 88 HH TYR 88 -13.351 -2.847 12.356 695 H GLY 89 H GLY 89 -12.658 5.861 12.928 696 HA2 GLY 89 HA2 GLY 89 -13.026 7.990 12.054 697 HA3 GLY 89 HA3 GLY 89 -14.765 7.825 12.287 698 H VAL 90 H VAL 90 -13.349 6.934 15.186 699 HA VAL 90 HA VAL 90 -12.986 9.749 16.075 700 HB VAL 90 HB VAL 90 -14.051 9.293 18.200 701 HG11 VAL 90 HG11 VAL 90 -15.359 10.358 16.474 702 HG12 VAL 90 HG12 VAL 90 -15.885 8.813 15.893 703 HG13 VAL 90 HG13 VAL 90 -16.378 9.365 17.486 704 HG21 VAL 90 HG21 VAL 90 -15.410 7.329 18.679 705 HG22 VAL 90 HG22 VAL 90 -15.090 6.693 17.024 706 HG23 VAL 90 HG23 VAL 90 -13.808 6.799 18.217 707 H CYS 91 H CYS 91 -11.700 9.960 17.932 708 HA CYS 91 HA CYS 91 -9.370 8.153 18.094 709 HB2 CYS 91 HB2 CYS 91 -9.352 10.692 18.169 710 HB3 CYS 91 HB3 CYS 91 -10.272 10.581 19.714 711 H GLU 92 H GLU 92 -8.681 7.472 20.336 712 HA GLU 92 HA GLU 92 -11.043 6.771 22.020 713 HB2 GLU 92 HB2 GLU 92 -9.975 4.784 22.803 714 HB3 GLU 92 HB3 GLU 92 -10.045 4.778 21.053 715 HG2 GLU 92 HG2 GLU 92 -7.672 5.364 20.955 716 HG3 GLU 92 HG3 GLU 92 -7.614 5.418 22.712 717 H LYS 93 H LYS 93 -8.094 8.507 21.872 718 HA LYS 93 HA LYS 93 -7.450 8.630 24.709 719 HB2 LYS 93 HB2 LYS 93 -5.891 9.227 22.828 720 HB3 LYS 93 HB3 LYS 93 -6.955 10.577 22.491 721 HG2 LYS 93 HG2 LYS 93 -5.156 11.508 23.611 722 HG3 LYS 93 HG3 LYS 93 -6.476 11.403 24.778 723 HD2 LYS 93 HD2 LYS 93 -5.540 9.372 25.692 724 HD3 LYS 93 HD3 LYS 93 -4.193 9.468 24.510 725 HE2 LYS 93 HE2 LYS 93 -3.632 11.744 25.459 726 HE3 LYS 93 HE3 LYS 93 -4.936 11.497 26.663 727 HZ1 LYS 93 HZ1 LYS 93 -2.464 9.964 26.411 728 HZ2 LYS 93 HZ2 LYS 93 -3.691 9.525 27.416 729 HZ3 LYS 93 HZ3 LYS 93 -2.879 10.956 27.645 730 H CYS 94 H CYS 94 -9.377 10.236 22.393 731 HA CYS 94 HA CYS 94 -11.042 11.601 24.397 732 HB2 CYS 94 HB2 CYS 94 -11.131 13.601 22.999 733 HB3 CYS 94 HB3 CYS 94 -9.425 13.324 23.364 734 H HIS 95 H HIS 95 -13.302 11.830 22.957 735 HA HIS 95 HA HIS 95 -13.165 9.589 20.938 736 HB2 HIS 95 HB2 HIS 95 -15.413 10.096 22.862 737 HB3 HIS 95 HB3 HIS 95 -15.388 8.937 21.509 738 HD1 HIS 95 HD1 HIS 95 -13.969 9.481 24.998 739 HD2 HIS 95 HD2 HIS 95 -13.771 6.701 21.907 740 HE1 HIS 95 HE1 HIS 95 -12.803 7.426 25.951 741 HE2 HIS 95 HE2 HIS 95 -12.778 5.697 24.115 742 H SER 96 H SER 96 -12.646 12.268 20.573 743 HA SER 96 HA SER 96 -15.017 13.544 19.414 744 HB2 SER 96 HB2 SER 96 -13.269 14.826 20.597 745 HB3 SER 96 HB3 SER 96 -12.052 14.243 19.451 746 HG SER 96 HG SER 96 -13.088 15.378 17.779 747 H LYS 97 H LYS 97 -15.293 13.996 17.253 748 HA LYS 97 HA LYS 97 -14.117 12.192 15.254 749 HB2 LYS 97 HB2 LYS 97 -15.735 14.726 14.970 750 HB3 LYS 97 HB3 LYS 97 -15.281 13.605 13.657 751 HG2 LYS 97 HG2 LYS 97 -16.586 11.818 14.718 752 HG3 LYS 97 HG3 LYS 97 -17.113 12.957 15.952 753 HD2 LYS 97 HD2 LYS 97 -18.875 12.906 14.378 754 HD3 LYS 97 HD3 LYS 97 -18.062 14.426 14.156 755 HE2 LYS 97 HE2 LYS 97 -16.780 13.543 12.237 756 HE3 LYS 97 HE3 LYS 97 -17.645 11.978 12.455 757 HZ1 LYS 97 HZ1 LYS 97 -18.934 14.603 11.922 758 HZ2 LYS 97 HZ2 LYS 97 -18.594 13.515 10.740 759 HZ3 LYS 97 HZ3 LYS 97 -19.680 13.114 11.923 760 H ASN 98 H ASN 98 -12.943 13.199 13.391 761 HA ASN 98 HA ASN 98 -11.430 14.697 12.391 762 HB2 ASN 98 HB2 ASN 98 -10.904 15.975 15.075 763 HB3 ASN 98 HB3 ASN 98 -10.182 16.439 13.542 764 HD21 ASN 98 HD21 ASN 98 -12.194 17.662 15.598 765 HD22 ASN 98 HD22 ASN 98 -13.417 18.345 14.543 766 H VAL 99 H VAL 99 -11.047 12.263 12.648 767 HA VAL 99 HA VAL 99 -8.233 12.073 13.590 768 HB VAL 99 HB VAL 99 -8.513 9.603 13.754 769 HG11 VAL 99 HG11 VAL 99 -9.619 9.593 15.779 770 HG12 VAL 99 HG12 VAL 99 -10.752 10.920 15.395 771 HG13 VAL 99 HG13 VAL 99 -8.990 11.259 15.662 772 HG21 VAL 99 HG21 VAL 99 -10.746 8.658 13.669 773 HG22 VAL 99 HG22 VAL 99 -11.391 10.201 13.001 774 HG23 VAL 99 HG23 VAL 99 -10.197 9.238 12.137 775 H ILE 100 H ILE 100 -6.886 10.716 12.143 776 HA ILE 100 HA ILE 100 -7.962 10.675 9.394 777 HB ILE 100 HB ILE 100 -5.745 11.268 8.479 778 HG12 ILE 100 HG12 ILE 100 -4.351 10.556 10.452 779 HG13 ILE 100 HG13 ILE 100 -3.901 12.084 9.714 780 HG21 ILE 100 HG21 ILE 100 -7.381 13.097 8.699 781 HG22 ILE 100 HG22 ILE 100 -5.775 13.722 9.017 782 HG23 ILE 100 HG23 ILE 100 -6.853 13.411 10.343 783 HD11 ILE 100 HD11 ILE 100 -5.359 11.860 12.363 784 HD12 ILE 100 HD12 ILE 100 -4.895 13.359 11.582 785 HD13 ILE 100 HD13 ILE 100 -3.658 12.282 12.146 786 H ILE 101 H ILE 101 -6.807 9.148 8.025 787 HA ILE 101 HA ILE 101 -6.172 6.690 9.596 788 HB ILE 101 HB ILE 101 -6.810 7.069 6.648 789 HG12 ILE 101 HG12 ILE 101 -8.553 5.932 8.835 790 HG13 ILE 101 HG13 ILE 101 -8.706 7.587 8.269 791 HG21 ILE 101 HG21 ILE 101 -7.153 4.594 6.716 792 HG22 ILE 101 HG22 ILE 101 -5.496 5.113 7.036 793 HG23 ILE 101 HG23 ILE 101 -6.531 4.625 8.404 794 HD11 ILE 101 HD11 ILE 101 -9.471 5.054 6.872 795 HD12 ILE 101 HD12 ILE 101 -10.384 6.522 7.144 796 HD13 ILE 101 HD13 ILE 101 -9.081 6.499 5.936 797 H THR 102 H THR 102 -4.110 6.044 9.793 798 HA THR 102 HA THR 102 -2.123 7.573 8.148 799 HB THR 102 HB THR 102 -0.424 6.479 9.588 800 HG1 THR 102 HG1 THR 102 -1.106 5.100 11.237 801 HG21 THR 102 HG21 THR 102 -0.942 7.572 11.629 802 HG22 THR 102 HG22 THR 102 -2.668 7.513 11.323 803 HG23 THR 102 HG23 THR 102 -1.637 8.577 10.338 804 H GLN 103 H GLN 103 -3.378 4.286 8.666 805 HA GLN 103 HA GLN 103 -1.956 3.562 6.172 806 HB2 GLN 103 HB2 GLN 103 -2.019 1.767 8.629 807 HB3 GLN 103 HB3 GLN 103 -1.413 1.343 7.031 808 HG2 GLN 103 HG2 GLN 103 0.262 3.238 7.325 809 HG3 GLN 103 HG3 GLN 103 -0.357 3.414 8.983 810 HE21 GLN 103 HE21 GLN 103 0.380 2.089 10.580 811 HE22 GLN 103 HE22 GLN 103 1.558 0.834 10.297 812 H GLY 104 H GLY 104 -3.110 1.980 4.939 813 HA2 GLY 104 HA2 GLY 104 -4.958 0.649 4.418 814 HA3 GLY 104 HA3 GLY 104 -5.738 1.069 5.948 815 H ASN 105 H ASN 105 -4.712 3.904 4.362 816 HA ASN 105 HA ASN 105 -7.534 4.436 3.424 817 HB2 ASN 105 HB2 ASN 105 -6.352 6.152 4.838 818 HB3 ASN 105 HB3 ASN 105 -5.201 6.386 3.560 819 HD21 ASN 105 HD21 ASN 105 -5.655 8.326 2.785 820 HD22 ASN 105 HD22 ASN 105 -7.229 8.809 2.218 821 H GLU 106 H GLU 106 -4.253 3.821 2.526 822 HA GLU 106 HA GLU 106 -4.807 3.776 -0.368 823 HB2 GLU 106 HB2 GLU 106 -2.509 5.318 0.936 824 HB3 GLU 106 HB3 GLU 106 -2.696 4.997 -0.784 825 HG2 GLU 106 HG2 GLU 106 -4.841 6.344 -0.704 826 HG3 GLU 106 HG3 GLU 106 -4.468 6.772 0.939 827 H MET 107 H MET 107 -2.779 2.849 -1.419 828 HA MET 107 HA MET 107 -2.356 0.243 -0.341 829 HB2 MET 107 HB2 MET 107 -2.424 1.017 -2.716 830 HB3 MET 107 HB3 MET 107 -0.896 1.867 -2.463 831 HG2 MET 107 HG2 MET 107 -1.148 -1.138 -2.245 832 HG3 MET 107 HG3 MET 107 -0.812 -0.249 -3.745 833 HE1 MET 107 HE1 MET 107 1.192 2.084 -2.984 834 HE2 MET 107 HE2 MET 107 1.231 0.990 -4.383 835 HE3 MET 107 HE3 MET 107 2.672 1.221 -3.352 836 H ARG 108 H ARG 108 -0.632 -0.809 0.459 837 HA ARG 108 HA ARG 108 1.847 0.697 1.209 838 HB2 ARG 108 HB2 ARG 108 0.251 0.444 3.152 839 HB3 ARG 108 HB3 ARG 108 0.162 -1.345 2.818 840 HG2 ARG 108 HG2 ARG 108 2.502 -1.588 3.408 841 HG3 ARG 108 HG3 ARG 108 2.704 0.150 3.649 842 HD2 ARG 108 HD2 ARG 108 2.566 -0.884 5.818 843 HD3 ARG 108 HD3 ARG 108 1.075 0.033 5.529 844 HE ARG 108 HE ARG 108 0.506 -2.548 4.688 845 HH11 ARG 108 HH11 ARG 108 1.202 -0.863 7.677 846 HH12 ARG 108 HH12 ARG 108 0.555 -2.130 8.702 847 HH21 ARG 108 HH21 ARG 108 -0.509 -4.097 6.037 848 HH22 ARG 108 HH22 ARG 108 -0.416 -3.874 7.770 849 H LEU 109 H LEU 109 3.726 -0.642 0.922 850 HA LEU 109 HA LEU 109 3.364 -3.210 -0.470 851 HB2 LEU 109 HB2 LEU 109 5.730 -1.610 0.506 852 HB3 LEU 109 HB3 LEU 109 5.984 -3.251 0.026 853 HG LEU 109 HG LEU 109 4.984 -1.219 -1.921 854 HD11 LEU 109 HD11 LEU 109 7.267 -1.254 -2.766 855 HD12 LEU 109 HD12 LEU 109 7.758 -2.396 -1.515 856 HD13 LEU 109 HD13 LEU 109 7.288 -0.786 -1.042 857 HD21 LEU 109 HD21 LEU 109 6.049 -4.068 -2.052 858 HD22 LEU 109 HD22 LEU 109 5.699 -3.057 -3.466 859 HD23 LEU 109 HD23 LEU 109 4.398 -3.575 -2.422 860 H LEU 110 H LEU 110 3.450 -5.190 0.511 861 HA LEU 110 HA LEU 110 4.067 -5.132 3.409 862 HB2 LEU 110 HB2 LEU 110 2.718 -7.334 1.801 863 HB3 LEU 110 HB3 LEU 110 2.928 -7.338 3.552 864 HG LEU 110 HG LEU 110 1.350 -5.270 2.025 865 HD11 LEU 110 HD11 LEU 110 0.404 -7.659 3.664 866 HD12 LEU 110 HD12 LEU 110 0.332 -7.520 1.905 867 HD13 LEU 110 HD13 LEU 110 -0.643 -6.453 2.870 868 HD21 LEU 110 HD21 LEU 110 0.472 -4.606 4.192 869 HD22 LEU 110 HD22 LEU 110 2.234 -4.461 4.174 870 HD23 LEU 110 HD23 LEU 110 1.470 -5.836 5.015 871 H SER 111 H SER 111 4.772 -7.169 0.528 872 HA SER 111 HA SER 111 7.464 -7.728 1.576 873 HB2 SER 111 HB2 SER 111 5.461 -9.886 0.930 874 HB3 SER 111 HB3 SER 111 7.133 -10.164 1.289 875 HG SER 111 HG SER 111 6.747 -9.173 3.379 876 H LEU 112 H LEU 112 8.868 -8.683 -0.148 877 HA LEU 112 HA LEU 112 7.631 -8.702 -2.889 878 HB2 LEU 112 HB2 LEU 112 10.324 -7.554 -2.106 879 HB3 LEU 112 HB3 LEU 112 9.786 -7.768 -3.749 880 HG LEU 112 HG LEU 112 7.980 -6.026 -3.336 881 HD11 LEU 112 HD11 LEU 112 9.503 -5.689 -0.725 882 HD12 LEU 112 HD12 LEU 112 8.595 -4.363 -1.486 883 HD13 LEU 112 HD13 LEU 112 7.743 -5.839 -0.958 884 HD21 LEU 112 HD21 LEU 112 10.147 -5.654 -4.447 885 HD22 LEU 112 HD22 LEU 112 9.614 -4.205 -3.594 886 HD23 LEU 112 HD23 LEU 112 10.872 -5.219 -2.896 887 H GLU 113 H GLU 113 8.524 -10.312 -4.260 888 HA GLU 113 HA GLU 113 10.384 -12.311 -3.013 889 HB2 GLU 113 HB2 GLU 113 8.290 -13.239 -4.130 890 HB3 GLU 113 HB3 GLU 113 8.816 -12.467 -5.615 891 HG2 GLU 113 HG2 GLU 113 9.393 -14.667 -5.907 892 HG3 GLU 113 HG3 GLU 113 10.896 -13.835 -5.502 893 H MET 114 H MET 114 12.577 -12.112 -3.728 894 HA MET 114 HA MET 114 12.991 -10.348 -6.093 895 HB2 MET 114 HB2 MET 114 14.311 -10.090 -3.383 896 HB3 MET 114 HB3 MET 114 14.654 -9.058 -4.799 897 HG2 MET 114 HG2 MET 114 12.248 -8.267 -4.735 898 HG3 MET 114 HG3 MET 114 11.972 -9.335 -3.354 899 HE1 MET 114 HE1 MET 114 14.127 -5.428 -3.213 900 HE2 MET 114 HE2 MET 114 12.963 -5.950 -4.446 901 HE3 MET 114 HE3 MET 114 14.575 -6.661 -4.394 902 H LEU 115 H LEU 115 14.969 -10.544 -7.226 903 HA LEU 115 HA LEU 115 16.602 -12.941 -6.478 904 HB2 LEU 115 HB2 LEU 115 16.442 -11.481 -9.114 905 HB3 LEU 115 HB3 LEU 115 17.452 -12.876 -8.758 906 HG LEU 115 HG LEU 115 14.430 -12.895 -8.824 907 HD11 LEU 115 HD11 LEU 115 15.494 -12.628 -11.025 908 HD12 LEU 115 HD12 LEU 115 14.675 -14.197 -10.864 909 HD13 LEU 115 HD13 LEU 115 16.454 -14.071 -10.766 910 HD21 LEU 115 HD21 LEU 115 16.432 -15.231 -8.523 911 HD22 LEU 115 HD22 LEU 115 14.657 -15.342 -8.733 912 HD23 LEU 115 HD23 LEU 115 15.276 -14.629 -7.250 913 H ALA 116 H ALA 116 18.627 -12.743 -5.928 914 HA ALA 116 HA ALA 116 19.636 -10.168 -5.211 915 HB1 ALA 116 HB1 ALA 116 21.201 -12.738 -5.526 916 HB2 ALA 116 HB2 ALA 116 20.275 -12.272 -4.049 917 HB3 ALA 116 HB3 ALA 116 21.669 -11.297 -4.619 918 H GLU 117 H GLU 117 21.297 -8.920 -5.887 919 HA GLU 117 HA GLU 117 21.517 -8.644 -8.770 920 HB2 GLU 117 HB2 GLU 117 22.818 -6.722 -8.266 921 HB3 GLU 117 HB3 GLU 117 21.531 -6.836 -7.067 922 HG2 GLU 117 HG2 GLU 117 23.189 -7.808 -5.484 923 HG3 GLU 117 HG3 GLU 117 24.452 -7.529 -6.707
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