NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
533717 | 2l02 | 17026 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.099 17.963 2.076 2 H2 MET 1 H2 MET 1 1.516 19.506 2.456 3 H3 MET 1 H3 MET 1 0.890 18.663 1.132 4 HA MET 1 HA MET 1 0.657 17.809 3.951 5 HB2 MET 1 HB2 MET 1 -0.600 19.915 3.357 6 HB3 MET 1 HB3 MET 1 -1.490 19.004 2.150 7 HG2 MET 1 HG2 MET 1 -1.531 18.204 5.058 8 HG3 MET 1 HG3 MET 1 -2.606 19.450 4.432 9 HE1 MET 1 HE1 MET 1 -4.654 19.010 2.856 10 HE2 MET 1 HE2 MET 1 -4.901 17.500 1.979 11 HE3 MET 1 HE3 MET 1 -3.508 18.515 1.608 12 H ASP 2 H ASP 2 0.457 15.664 4.069 13 HA ASP 2 HA ASP 2 -0.865 14.092 1.971 14 HB2 ASP 2 HB2 ASP 2 1.127 12.508 1.890 15 HB3 ASP 2 HB3 ASP 2 1.401 14.084 1.159 16 H LYS 3 H LYS 3 0.761 14.025 5.152 17 HA LYS 3 HA LYS 3 -0.183 11.478 5.978 18 HB2 LYS 3 HB2 LYS 3 0.867 13.817 7.608 19 HB3 LYS 3 HB3 LYS 3 0.587 12.201 8.264 20 HG2 LYS 3 HG2 LYS 3 2.268 11.242 6.824 21 HG3 LYS 3 HG3 LYS 3 2.439 12.756 5.932 22 HD2 LYS 3 HD2 LYS 3 3.302 13.823 8.050 23 HD3 LYS 3 HD3 LYS 3 3.275 12.225 8.809 24 HE2 LYS 3 HE2 LYS 3 5.532 12.840 7.948 25 HE3 LYS 3 HE3 LYS 3 4.896 11.386 7.180 26 HZ1 LYS 3 HZ1 LYS 3 4.848 14.119 6.001 27 HZ2 LYS 3 HZ2 LYS 3 4.264 12.719 5.252 28 HZ3 LYS 3 HZ3 LYS 3 5.919 12.884 5.571 29 H LYS 4 H LYS 4 -1.695 14.608 6.094 30 HA LYS 4 HA LYS 4 -3.814 13.915 7.924 31 HB2 LYS 4 HB2 LYS 4 -3.609 16.160 5.875 32 HB3 LYS 4 HB3 LYS 4 -4.881 16.027 7.090 33 HG2 LYS 4 HG2 LYS 4 -3.238 16.288 8.888 34 HG3 LYS 4 HG3 LYS 4 -1.918 16.301 7.716 35 HD2 LYS 4 HD2 LYS 4 -2.396 18.581 8.458 36 HD3 LYS 4 HD3 LYS 4 -2.807 18.411 6.752 37 HE2 LYS 4 HE2 LYS 4 -4.529 19.704 7.895 38 HE3 LYS 4 HE3 LYS 4 -5.203 18.161 7.379 39 HZ1 LYS 4 HZ1 LYS 4 -4.951 17.336 9.635 40 HZ2 LYS 4 HZ2 LYS 4 -5.885 18.745 9.618 41 HZ3 LYS 4 HZ3 LYS 4 -4.272 18.805 10.127 42 H ILE 5 H ILE 5 -3.454 13.903 4.384 43 HA ILE 5 HA ILE 5 -6.098 13.151 3.660 44 HB ILE 5 HB ILE 5 -3.498 12.526 2.181 45 HG12 ILE 5 HG12 ILE 5 -5.309 14.954 1.809 46 HG13 ILE 5 HG13 ILE 5 -3.817 14.976 2.742 47 HG21 ILE 5 HG21 ILE 5 -5.379 11.220 1.293 48 HG22 ILE 5 HG22 ILE 5 -4.896 12.455 0.130 49 HG23 ILE 5 HG23 ILE 5 -6.345 12.687 1.112 50 HD11 ILE 5 HD11 ILE 5 -3.485 15.911 0.543 51 HD12 ILE 5 HD12 ILE 5 -4.043 14.419 -0.215 52 HD13 ILE 5 HD13 ILE 5 -2.546 14.431 0.725 53 H VAL 6 H VAL 6 -3.131 11.191 3.927 54 HA VAL 6 HA VAL 6 -4.398 8.669 3.562 55 HB VAL 6 HB VAL 6 -2.231 7.652 3.969 56 HG11 VAL 6 HG11 VAL 6 -1.886 10.295 2.495 57 HG12 VAL 6 HG12 VAL 6 -2.530 8.796 1.814 58 HG13 VAL 6 HG13 VAL 6 -0.846 8.875 2.332 59 HG21 VAL 6 HG21 VAL 6 -1.290 10.345 5.043 60 HG22 VAL 6 HG22 VAL 6 -0.273 8.921 4.803 61 HG23 VAL 6 HG23 VAL 6 -1.563 8.892 6.006 62 H GLY 7 H GLY 7 -3.657 10.612 6.402 63 HA2 GLY 7 HA2 GLY 7 -4.250 8.732 8.431 64 HA3 GLY 7 HA3 GLY 7 -4.409 10.475 8.563 65 H ALA 8 H ALA 8 -6.345 10.899 6.555 66 HA ALA 8 HA ALA 8 -8.756 10.417 8.001 67 HB1 ALA 8 HB1 ALA 8 -9.853 11.625 6.158 68 HB2 ALA 8 HB2 ALA 8 -8.376 11.510 5.192 69 HB3 ALA 8 HB3 ALA 8 -8.386 12.454 6.684 70 H ASN 9 H ASN 9 -7.658 9.202 4.790 71 HA ASN 9 HA ASN 9 -10.016 7.616 4.361 72 HB2 ASN 9 HB2 ASN 9 -8.802 6.787 2.316 73 HB3 ASN 9 HB3 ASN 9 -8.929 8.537 2.431 74 HD21 ASN 9 HD21 ASN 9 -7.166 8.877 1.051 75 HD22 ASN 9 HD22 ASN 9 -5.542 8.539 1.522 76 H ALA 10 H ALA 10 -7.017 6.946 5.965 77 HA ALA 10 HA ALA 10 -6.940 4.108 5.775 78 HB1 ALA 10 HB1 ALA 10 -5.390 4.239 7.678 79 HB2 ALA 10 HB2 ALA 10 -5.843 5.925 7.944 80 HB3 ALA 10 HB3 ALA 10 -5.008 5.458 6.462 81 H GLY 11 H GLY 11 -8.689 6.326 7.876 82 HA2 GLY 11 HA2 GLY 11 -9.571 4.489 9.865 83 HA3 GLY 11 HA3 GLY 11 -10.329 6.024 9.467 84 H LYS 12 H LYS 12 -10.856 5.385 6.705 85 HA LYS 12 HA LYS 12 -13.415 4.126 7.012 86 HB2 LYS 12 HB2 LYS 12 -13.019 6.076 5.528 87 HB3 LYS 12 HB3 LYS 12 -11.996 5.087 4.494 88 HG2 LYS 12 HG2 LYS 12 -13.881 3.751 3.779 89 HG3 LYS 12 HG3 LYS 12 -14.931 4.485 4.992 90 HD2 LYS 12 HD2 LYS 12 -15.396 5.410 2.756 91 HD3 LYS 12 HD3 LYS 12 -14.789 6.658 3.845 92 HE2 LYS 12 HE2 LYS 12 -12.519 6.385 2.804 93 HE3 LYS 12 HE3 LYS 12 -13.220 5.236 1.660 94 HZ1 LYS 12 HZ1 LYS 12 -13.085 7.403 0.676 95 HZ2 LYS 12 HZ2 LYS 12 -13.940 8.100 1.955 96 HZ3 LYS 12 HZ3 LYS 12 -14.715 7.017 0.913 97 H VAL 13 H VAL 13 -10.372 3.176 5.345 98 HA VAL 13 HA VAL 13 -11.372 0.683 4.360 99 HB VAL 13 HB VAL 13 -9.016 0.054 3.892 100 HG11 VAL 13 HG11 VAL 13 -10.212 1.451 2.263 101 HG12 VAL 13 HG12 VAL 13 -8.496 1.858 2.287 102 HG13 VAL 13 HG13 VAL 13 -9.664 2.914 3.087 103 HG21 VAL 13 HG21 VAL 13 -8.250 2.649 5.283 104 HG22 VAL 13 HG22 VAL 13 -7.149 1.608 4.376 105 HG23 VAL 13 HG23 VAL 13 -7.896 1.021 5.862 106 H TRP 14 H TRP 14 -9.633 1.573 7.312 107 HA TRP 14 HA TRP 14 -9.289 -0.988 8.457 108 HB2 TRP 14 HB2 TRP 14 -8.166 1.163 9.194 109 HB3 TRP 14 HB3 TRP 14 -9.674 1.638 9.956 110 HD1 TRP 14 HD1 TRP 14 -6.761 -0.861 10.373 111 HE1 TRP 14 HE1 TRP 14 -6.784 -1.730 12.795 112 HE3 TRP 14 HE3 TRP 14 -11.163 1.166 11.900 113 HZ2 TRP 14 HZ2 TRP 14 -8.455 -1.568 15.074 114 HZ3 TRP 14 HZ3 TRP 14 -11.933 0.779 14.219 115 HH2 TRP 14 HH2 TRP 14 -10.601 -0.572 15.773 116 H HIS 15 H HIS 15 -11.977 1.284 8.570 117 HA HIS 15 HA HIS 15 -13.621 0.050 10.506 118 HB2 HIS 15 HB2 HIS 15 -13.855 2.391 9.612 119 HB3 HIS 15 HB3 HIS 15 -14.468 1.729 8.104 120 HD1 HIS 15 HD1 HIS 15 -15.545 2.977 11.316 121 HD2 HIS 15 HD2 HIS 15 -17.047 0.286 8.531 122 HE1 HIS 15 HE1 HIS 15 -17.980 2.742 11.850 123 HE2 HIS 15 HE2 HIS 15 -18.766 0.895 10.353 124 H ALA 16 H ALA 16 -13.407 -0.395 6.986 125 HA ALA 16 HA ALA 16 -15.558 -2.244 6.686 126 HB1 ALA 16 HB1 ALA 16 -14.635 -2.632 4.446 127 HB2 ALA 16 HB2 ALA 16 -13.148 -1.796 4.901 128 HB3 ALA 16 HB3 ALA 16 -14.672 -0.909 4.824 129 H LEU 17 H LEU 17 -12.206 -2.664 7.607 130 HA LEU 17 HA LEU 17 -12.039 -5.518 7.380 131 HB2 LEU 17 HB2 LEU 17 -10.497 -3.613 9.168 132 HB3 LEU 17 HB3 LEU 17 -10.041 -5.277 8.829 133 HG LEU 17 HG LEU 17 -10.186 -3.093 6.711 134 HD11 LEU 17 HD11 LEU 17 -8.476 -2.533 8.378 135 HD12 LEU 17 HD12 LEU 17 -7.747 -2.976 6.831 136 HD13 LEU 17 HD13 LEU 17 -7.734 -4.128 8.170 137 HD21 LEU 17 HD21 LEU 17 -8.914 -4.662 5.317 138 HD22 LEU 17 HD22 LEU 17 -10.453 -5.364 5.810 139 HD23 LEU 17 HD23 LEU 17 -8.958 -5.870 6.605 140 H ASN 18 H ASN 18 -13.103 -3.324 9.983 141 HA ASN 18 HA ASN 18 -13.299 -5.135 12.139 142 HB2 ASN 18 HB2 ASN 18 -13.465 -2.681 12.403 143 HB3 ASN 18 HB3 ASN 18 -14.984 -2.674 11.523 144 HD21 ASN 18 HD21 ASN 18 -14.073 -5.027 14.034 145 HD22 ASN 18 HD22 ASN 18 -15.273 -4.507 15.156 146 H GLU 19 H GLU 19 -15.627 -4.317 9.578 147 HA GLU 19 HA GLU 19 -17.781 -5.992 10.115 148 HB2 GLU 19 HB2 GLU 19 -17.781 -4.381 8.280 149 HB3 GLU 19 HB3 GLU 19 -16.461 -5.225 7.483 150 HG2 GLU 19 HG2 GLU 19 -18.151 -7.229 7.342 151 HG3 GLU 19 HG3 GLU 19 -19.375 -6.000 7.663 152 H ALA 20 H ALA 20 -14.973 -6.759 8.028 153 HA ALA 20 HA ALA 20 -14.632 -9.453 8.894 154 HB1 ALA 20 HB1 ALA 20 -16.682 -9.821 7.563 155 HB2 ALA 20 HB2 ALA 20 -15.298 -10.633 6.829 156 HB3 ALA 20 HB3 ALA 20 -15.901 -9.120 6.143 157 H ASP 21 H ASP 21 -12.478 -9.592 8.793 158 HA ASP 21 HA ASP 21 -10.937 -8.116 6.761 159 HB2 ASP 21 HB2 ASP 21 -9.033 -8.320 8.278 160 HB3 ASP 21 HB3 ASP 21 -10.417 -7.651 9.131 161 H GLY 22 H GLY 22 -8.603 -9.413 6.567 162 HA2 GLY 22 HA2 GLY 22 -7.522 -11.147 5.476 163 HA3 GLY 22 HA3 GLY 22 -8.947 -12.153 5.694 164 H ILE 23 H ILE 23 -9.063 -8.974 4.237 165 HA ILE 23 HA ILE 23 -10.126 -10.184 1.756 166 HB ILE 23 HB ILE 23 -11.693 -8.813 3.108 167 HG12 ILE 23 HG12 ILE 23 -11.080 -7.460 0.439 168 HG13 ILE 23 HG13 ILE 23 -11.974 -8.966 0.610 169 HG21 ILE 23 HG21 ILE 23 -9.879 -6.451 2.521 170 HG22 ILE 23 HG22 ILE 23 -10.111 -7.215 4.095 171 HG23 ILE 23 HG23 ILE 23 -11.454 -6.377 3.317 172 HD11 ILE 23 HD11 ILE 23 -13.727 -7.765 1.863 173 HD12 ILE 23 HD12 ILE 23 -13.478 -7.106 0.246 174 HD13 ILE 23 HD13 ILE 23 -12.829 -6.258 1.647 175 H SER 24 H SER 24 -9.516 -9.424 -0.270 176 HA SER 24 HA SER 24 -6.822 -8.456 -0.607 177 HB2 SER 24 HB2 SER 24 -7.771 -10.199 -2.081 178 HB3 SER 24 HB3 SER 24 -8.999 -9.076 -2.648 179 HG SER 24 HG SER 24 -6.191 -8.789 -3.027 180 H ILE 25 H ILE 25 -6.261 -6.635 -2.119 181 HA ILE 25 HA ILE 25 -7.145 -4.189 -1.093 182 HB ILE 25 HB ILE 25 -5.651 -4.634 -3.713 183 HG12 ILE 25 HG12 ILE 25 -4.464 -5.542 -1.695 184 HG13 ILE 25 HG13 ILE 25 -3.583 -4.223 -2.458 185 HG21 ILE 25 HG21 ILE 25 -4.877 -2.274 -3.496 186 HG22 ILE 25 HG22 ILE 25 -5.956 -2.057 -2.115 187 HG23 ILE 25 HG23 ILE 25 -6.626 -2.391 -3.712 188 HD11 ILE 25 HD11 ILE 25 -5.271 -4.022 0.021 189 HD12 ILE 25 HD12 ILE 25 -4.371 -2.704 -0.732 190 HD13 ILE 25 HD13 ILE 25 -3.511 -4.082 -0.052 191 HA PRO 26 HA PRO 26 -9.525 -3.065 -5.153 192 HB2 PRO 26 HB2 PRO 26 -10.239 -4.922 -7.031 193 HB3 PRO 26 HB3 PRO 26 -8.642 -4.160 -7.013 194 HG2 PRO 26 HG2 PRO 26 -9.462 -6.856 -5.927 195 HG3 PRO 26 HG3 PRO 26 -8.052 -6.435 -6.927 196 HD2 PRO 26 HD2 PRO 26 -7.875 -6.727 -4.217 197 HD3 PRO 26 HD3 PRO 26 -6.851 -5.586 -5.114 198 H GLU 27 H GLU 27 -10.433 -6.021 -3.528 199 HA GLU 27 HA GLU 27 -13.283 -5.877 -3.997 200 HB2 GLU 27 HB2 GLU 27 -11.750 -7.383 -1.829 201 HB3 GLU 27 HB3 GLU 27 -13.410 -7.700 -2.352 202 HG2 GLU 27 HG2 GLU 27 -10.846 -8.185 -3.894 203 HG3 GLU 27 HG3 GLU 27 -12.003 -9.384 -3.318 204 H LEU 28 H LEU 28 -11.162 -5.306 -1.260 205 HA LEU 28 HA LEU 28 -12.814 -4.026 0.579 206 HB2 LEU 28 HB2 LEU 28 -10.579 -4.868 1.050 207 HB3 LEU 28 HB3 LEU 28 -9.872 -3.764 -0.115 208 HG LEU 28 HG LEU 28 -10.463 -1.855 1.365 209 HD11 LEU 28 HD11 LEU 28 -11.133 -2.244 3.693 210 HD12 LEU 28 HD12 LEU 28 -11.307 -3.972 3.369 211 HD13 LEU 28 HD13 LEU 28 -12.371 -2.809 2.572 212 HD21 LEU 28 HD21 LEU 28 -8.754 -4.019 2.625 213 HD22 LEU 28 HD22 LEU 28 -8.692 -2.296 3.023 214 HD23 LEU 28 HD23 LEU 28 -8.237 -2.847 1.408 215 H ALA 29 H ALA 29 -11.011 -2.732 -2.180 216 HA ALA 29 HA ALA 29 -11.368 0.034 -1.794 217 HB1 ALA 29 HB1 ALA 29 -10.948 -1.452 -4.407 218 HB2 ALA 29 HB2 ALA 29 -9.675 -0.927 -3.304 219 HB3 ALA 29 HB3 ALA 29 -10.668 0.273 -4.130 220 H ARG 30 H ARG 30 -13.510 -2.355 -3.257 221 HA ARG 30 HA ARG 30 -15.300 -0.509 -4.543 222 HB2 ARG 30 HB2 ARG 30 -15.634 -3.436 -3.787 223 HB3 ARG 30 HB3 ARG 30 -16.818 -2.527 -4.731 224 HG2 ARG 30 HG2 ARG 30 -15.187 -2.167 -6.509 225 HG3 ARG 30 HG3 ARG 30 -13.926 -2.942 -5.551 226 HD2 ARG 30 HD2 ARG 30 -15.242 -5.071 -5.628 227 HD3 ARG 30 HD3 ARG 30 -16.399 -4.276 -6.702 228 HE ARG 30 HE ARG 30 -14.143 -3.876 -8.043 229 HH11 ARG 30 HH11 ARG 30 -15.245 -6.792 -6.549 230 HH12 ARG 30 HH12 ARG 30 -14.413 -7.799 -7.668 231 HH21 ARG 30 HH21 ARG 30 -13.094 -5.169 -9.457 232 HH22 ARG 30 HH22 ARG 30 -13.210 -6.887 -9.319 233 H LYS 31 H LYS 31 -15.271 -2.057 -1.332 234 HA LYS 31 HA LYS 31 -17.870 -1.129 -0.526 235 HB2 LYS 31 HB2 LYS 31 -15.520 -2.027 1.197 236 HB3 LYS 31 HB3 LYS 31 -17.157 -1.746 1.788 237 HG2 LYS 31 HG2 LYS 31 -17.898 -3.564 0.123 238 HG3 LYS 31 HG3 LYS 31 -16.182 -3.955 -0.051 239 HD2 LYS 31 HD2 LYS 31 -17.804 -4.027 2.534 240 HD3 LYS 31 HD3 LYS 31 -17.275 -5.432 1.609 241 HE2 LYS 31 HE2 LYS 31 -14.946 -4.977 2.154 242 HE3 LYS 31 HE3 LYS 31 -15.373 -3.438 2.902 243 HZ1 LYS 31 HZ1 LYS 31 -16.207 -6.113 3.884 244 HZ2 LYS 31 HZ2 LYS 31 -16.596 -4.633 4.597 245 HZ3 LYS 31 HZ3 LYS 31 -14.985 -5.151 4.552 246 H VAL 32 H VAL 32 -14.558 0.087 -0.036 247 HA VAL 32 HA VAL 32 -15.462 2.405 1.505 248 HB VAL 32 HB VAL 32 -13.103 2.932 1.822 249 HG11 VAL 32 HG11 VAL 32 -13.635 -0.050 2.163 250 HG12 VAL 32 HG12 VAL 32 -14.063 1.228 3.306 251 HG13 VAL 32 HG13 VAL 32 -12.369 0.865 2.985 252 HG21 VAL 32 HG21 VAL 32 -11.288 1.560 0.817 253 HG22 VAL 32 HG22 VAL 32 -12.230 2.390 -0.421 254 HG23 VAL 32 HG23 VAL 32 -12.485 0.669 -0.128 255 H ASN 33 H ASN 33 -14.999 1.683 -1.774 256 HA ASN 33 HA ASN 33 -15.095 2.819 -3.710 257 HB2 ASN 33 HB2 ASN 33 -16.345 4.916 -1.896 258 HB3 ASN 33 HB3 ASN 33 -16.281 5.091 -3.650 259 HD21 ASN 33 HD21 ASN 33 -17.611 3.144 -1.022 260 HD22 ASN 33 HD22 ASN 33 -18.871 2.430 -1.955 261 H LEU 34 H LEU 34 -12.580 2.872 -2.409 262 HA LEU 34 HA LEU 34 -11.389 5.412 -3.386 263 HB2 LEU 34 HB2 LEU 34 -10.134 3.259 -1.620 264 HB3 LEU 34 HB3 LEU 34 -9.340 4.737 -2.141 265 HG LEU 34 HG LEU 34 -11.741 4.579 -0.265 266 HD11 LEU 34 HD11 LEU 34 -10.189 5.327 1.482 267 HD12 LEU 34 HD12 LEU 34 -8.848 5.296 0.334 268 HD13 LEU 34 HD13 LEU 34 -9.659 3.795 0.785 269 HD21 LEU 34 HD21 LEU 34 -11.829 6.626 -1.613 270 HD22 LEU 34 HD22 LEU 34 -10.164 7.014 -1.174 271 HD23 LEU 34 HD23 LEU 34 -11.425 7.003 0.062 272 H SER 35 H SER 35 -9.557 5.323 -4.794 273 HA SER 35 HA SER 35 -9.360 3.353 -6.780 274 HB2 SER 35 HB2 SER 35 -7.200 5.286 -5.819 275 HB3 SER 35 HB3 SER 35 -7.210 4.444 -7.371 276 HG SER 35 HG SER 35 -8.055 6.416 -7.785 277 H VAL 36 H VAL 36 -7.808 1.630 -7.136 278 HA VAL 36 HA VAL 36 -7.208 -0.064 -5.019 279 HB VAL 36 HB VAL 36 -5.916 0.063 -7.774 280 HG11 VAL 36 HG11 VAL 36 -4.440 -1.257 -6.311 281 HG12 VAL 36 HG12 VAL 36 -5.259 -2.314 -7.461 282 HG13 VAL 36 HG13 VAL 36 -5.808 -2.242 -5.786 283 HG21 VAL 36 HG21 VAL 36 -7.527 -1.733 -8.353 284 HG22 VAL 36 HG22 VAL 36 -8.358 -0.268 -7.827 285 HG23 VAL 36 HG23 VAL 36 -8.212 -1.641 -6.727 286 H GLU 37 H GLU 37 -4.868 2.082 -6.710 287 HA GLU 37 HA GLU 37 -2.635 1.681 -5.045 288 HB2 GLU 37 HB2 GLU 37 -3.410 4.196 -6.584 289 HB3 GLU 37 HB3 GLU 37 -1.822 3.918 -5.874 290 HG2 GLU 37 HG2 GLU 37 -1.483 1.988 -7.356 291 HG3 GLU 37 HG3 GLU 37 -3.087 2.218 -8.049 292 H SER 38 H SER 38 -5.348 3.957 -4.653 293 HA SER 38 HA SER 38 -4.360 5.377 -2.386 294 HB2 SER 38 HB2 SER 38 -6.114 6.334 -3.801 295 HB3 SER 38 HB3 SER 38 -7.215 5.028 -3.371 296 HG SER 38 HG SER 38 -6.374 6.156 -1.104 297 H THR 39 H THR 39 -6.332 2.462 -2.675 298 HA THR 39 HA THR 39 -7.194 2.323 0.053 299 HB THR 39 HB THR 39 -7.154 0.152 -2.096 300 HG1 THR 39 HG1 THR 39 -8.698 1.408 -2.839 301 HG21 THR 39 HG21 THR 39 -8.695 0.210 0.529 302 HG22 THR 39 HG22 THR 39 -7.349 -0.869 0.154 303 HG23 THR 39 HG23 THR 39 -8.866 -1.006 -0.738 304 H ALA 40 H ALA 40 -4.728 0.584 -1.843 305 HA ALA 40 HA ALA 40 -3.609 -1.042 0.156 306 HB1 ALA 40 HB1 ALA 40 -1.674 -1.218 -1.378 307 HB2 ALA 40 HB2 ALA 40 -2.292 0.154 -2.307 308 HB3 ALA 40 HB3 ALA 40 -3.205 -1.355 -2.246 309 H LEU 41 H LEU 41 -2.788 2.241 -0.854 310 HA LEU 41 HA LEU 41 -0.518 2.583 0.857 311 HB2 LEU 41 HB2 LEU 41 -0.710 3.682 -1.293 312 HB3 LEU 41 HB3 LEU 41 -2.195 4.470 -0.823 313 HG LEU 41 HG LEU 41 -0.005 5.860 -0.990 314 HD11 LEU 41 HD11 LEU 41 -2.096 6.756 -0.146 315 HD12 LEU 41 HD12 LEU 41 -0.715 7.398 0.736 316 HD13 LEU 41 HD13 LEU 41 -1.729 6.153 1.472 317 HD21 LEU 41 HD21 LEU 41 1.422 4.354 0.351 318 HD22 LEU 41 HD22 LEU 41 0.464 4.740 1.787 319 HD23 LEU 41 HD23 LEU 41 1.390 6.004 0.976 320 H ALA 42 H ALA 42 -3.968 3.463 1.119 321 HA ALA 42 HA ALA 42 -3.890 4.912 3.549 322 HB1 ALA 42 HB1 ALA 42 -5.873 4.860 2.091 323 HB2 ALA 42 HB2 ALA 42 -6.293 4.384 3.737 324 HB3 ALA 42 HB3 ALA 42 -6.131 3.155 2.477 325 H VAL 43 H VAL 43 -4.270 1.439 2.916 326 HA VAL 43 HA VAL 43 -4.302 0.500 5.579 327 HB VAL 43 HB VAL 43 -3.474 -0.847 2.976 328 HG11 VAL 43 HG11 VAL 43 -3.676 -3.026 4.135 329 HG12 VAL 43 HG12 VAL 43 -3.901 -2.189 5.671 330 HG13 VAL 43 HG13 VAL 43 -2.368 -2.054 4.810 331 HG21 VAL 43 HG21 VAL 43 -5.696 -1.939 3.125 332 HG22 VAL 43 HG22 VAL 43 -5.848 -0.182 3.087 333 HG23 VAL 43 HG23 VAL 43 -6.037 -1.049 4.612 334 H GLY 44 H GLY 44 -1.605 1.366 3.439 335 HA2 GLY 44 HA2 GLY 44 0.575 0.381 4.939 336 HA3 GLY 44 HA3 GLY 44 0.621 1.758 3.851 337 H TRP 45 H TRP 45 -1.293 3.374 5.314 338 HA TRP 45 HA TRP 45 0.293 4.600 7.352 339 HB2 TRP 45 HB2 TRP 45 -1.354 5.849 5.986 340 HB3 TRP 45 HB3 TRP 45 -2.668 4.935 6.717 341 HD1 TRP 45 HD1 TRP 45 -3.710 5.965 8.899 342 HE1 TRP 45 HE1 TRP 45 -3.138 7.975 10.390 343 HE3 TRP 45 HE3 TRP 45 0.889 7.136 6.974 344 HZ2 TRP 45 HZ2 TRP 45 -1.033 9.812 10.719 345 HZ3 TRP 45 HZ3 TRP 45 2.123 9.038 7.941 346 HH2 TRP 45 HH2 TRP 45 1.177 10.346 9.782 347 H LEU 46 H LEU 46 -2.342 2.259 7.411 348 HA LEU 46 HA LEU 46 -2.695 2.118 10.251 349 HB2 LEU 46 HB2 LEU 46 -3.310 0.051 8.105 350 HB3 LEU 46 HB3 LEU 46 -3.931 0.024 9.751 351 HG LEU 46 HG LEU 46 -4.556 2.189 7.698 352 HD11 LEU 46 HD11 LEU 46 -5.545 0.064 7.023 353 HD12 LEU 46 HD12 LEU 46 -6.787 1.200 7.544 354 HD13 LEU 46 HD13 LEU 46 -6.296 -0.118 8.613 355 HD21 LEU 46 HD21 LEU 46 -5.748 1.710 10.453 356 HD22 LEU 46 HD22 LEU 46 -6.271 2.936 9.292 357 HD23 LEU 46 HD23 LEU 46 -4.662 3.029 10.001 358 H ALA 47 H ALA 47 -0.771 0.250 7.909 359 HA ALA 47 HA ALA 47 0.398 -1.691 9.540 360 HB1 ALA 47 HB1 ALA 47 2.118 -1.890 7.779 361 HB2 ALA 47 HB2 ALA 47 1.598 -0.349 7.091 362 HB3 ALA 47 HB3 ALA 47 0.504 -1.733 7.079 363 H ARG 48 H ARG 48 1.249 1.702 9.150 364 HA ARG 48 HA ARG 48 3.718 1.941 10.379 365 HB2 ARG 48 HB2 ARG 48 2.457 3.810 9.368 366 HB3 ARG 48 HB3 ARG 48 1.280 3.742 10.675 367 HG2 ARG 48 HG2 ARG 48 3.015 4.436 12.288 368 HG3 ARG 48 HG3 ARG 48 4.215 4.472 10.990 369 HD2 ARG 48 HD2 ARG 48 3.415 6.735 11.495 370 HD3 ARG 48 HD3 ARG 48 2.939 6.263 9.864 371 HE ARG 48 HE ARG 48 0.696 6.093 10.565 372 HH11 ARG 48 HH11 ARG 48 2.714 7.087 13.210 373 HH12 ARG 48 HH12 ARG 48 1.385 7.707 14.123 374 HH21 ARG 48 HH21 ARG 48 -0.984 6.895 11.777 375 HH22 ARG 48 HH22 ARG 48 -0.670 7.598 13.324 376 H GLU 49 H GLU 49 0.548 1.667 11.914 377 HA GLU 49 HA GLU 49 1.715 1.593 14.629 378 HB2 GLU 49 HB2 GLU 49 -1.157 2.029 13.722 379 HB3 GLU 49 HB3 GLU 49 -0.573 2.139 15.383 380 HG2 GLU 49 HG2 GLU 49 0.795 4.082 14.809 381 HG3 GLU 49 HG3 GLU 49 0.334 3.942 13.113 382 H ASN 50 H ASN 50 1.109 -0.645 12.388 383 HA ASN 50 HA ASN 50 0.227 -2.703 12.124 384 HB2 ASN 50 HB2 ASN 50 1.156 -2.834 14.999 385 HB3 ASN 50 HB3 ASN 50 0.427 -4.241 14.223 386 HD21 ASN 50 HD21 ASN 50 1.499 -5.210 12.453 387 HD22 ASN 50 HD22 ASN 50 3.169 -4.921 12.141 388 H LYS 51 H LYS 51 -1.709 -0.643 12.675 389 HA LYS 51 HA LYS 51 -3.993 -1.798 13.912 390 HB2 LYS 51 HB2 LYS 51 -3.649 0.298 11.747 391 HB3 LYS 51 HB3 LYS 51 -5.248 -0.250 12.231 392 HG2 LYS 51 HG2 LYS 51 -4.745 0.498 14.568 393 HG3 LYS 51 HG3 LYS 51 -3.214 1.166 13.985 394 HD2 LYS 51 HD2 LYS 51 -4.326 2.787 12.618 395 HD3 LYS 51 HD3 LYS 51 -5.884 1.971 12.768 396 HE2 LYS 51 HE2 LYS 51 -5.945 3.965 14.116 397 HE3 LYS 51 HE3 LYS 51 -5.895 2.581 15.204 398 HZ1 LYS 51 HZ1 LYS 51 -4.429 4.300 15.969 399 HZ2 LYS 51 HZ2 LYS 51 -3.622 4.343 14.487 400 HZ3 LYS 51 HZ3 LYS 51 -3.502 2.976 15.467 401 H VAL 52 H VAL 52 -2.319 -2.460 10.986 402 HA VAL 52 HA VAL 52 -4.200 -4.663 10.399 403 HB VAL 52 HB VAL 52 -3.595 -4.558 7.990 404 HG11 VAL 52 HG11 VAL 52 -4.774 -1.964 9.048 405 HG12 VAL 52 HG12 VAL 52 -5.656 -3.455 8.709 406 HG13 VAL 52 HG13 VAL 52 -4.918 -2.549 7.387 407 HG21 VAL 52 HG21 VAL 52 -2.147 -1.968 8.683 408 HG22 VAL 52 HG22 VAL 52 -2.423 -2.580 7.053 409 HG23 VAL 52 HG23 VAL 52 -1.385 -3.473 8.162 410 H VAL 53 H VAL 53 -3.241 -6.632 9.878 411 HA VAL 53 HA VAL 53 -0.288 -6.843 9.879 412 HB VAL 53 HB VAL 53 -0.459 -9.050 11.102 413 HG11 VAL 53 HG11 VAL 53 -0.718 -8.080 13.369 414 HG12 VAL 53 HG12 VAL 53 -1.485 -6.647 12.678 415 HG13 VAL 53 HG13 VAL 53 0.210 -7.002 12.321 416 HG21 VAL 53 HG21 VAL 53 -3.333 -8.203 11.658 417 HG22 VAL 53 HG22 VAL 53 -2.504 -9.560 12.429 418 HG23 VAL 53 HG23 VAL 53 -2.824 -9.593 10.694 419 H ILE 54 H ILE 54 0.558 -8.271 8.337 420 HA ILE 54 HA ILE 54 -1.383 -8.903 6.193 421 HB ILE 54 HB ILE 54 1.594 -8.302 5.964 422 HG12 ILE 54 HG12 ILE 54 0.338 -6.293 6.646 423 HG13 ILE 54 HG13 ILE 54 0.895 -6.122 4.987 424 HG21 ILE 54 HG21 ILE 54 0.875 -9.755 4.119 425 HG22 ILE 54 HG22 ILE 54 1.212 -8.131 3.518 426 HG23 ILE 54 HG23 ILE 54 -0.458 -8.658 3.743 427 HD11 ILE 54 HD11 ILE 54 -1.920 -6.811 5.848 428 HD12 ILE 54 HD12 ILE 54 -1.363 -6.645 4.179 429 HD13 ILE 54 HD13 ILE 54 -1.345 -5.252 5.258 430 H GLU 55 H GLU 55 -1.700 -10.908 5.564 431 HA GLU 55 HA GLU 55 0.359 -13.017 5.928 432 HB2 GLU 55 HB2 GLU 55 -2.662 -13.144 6.233 433 HB3 GLU 55 HB3 GLU 55 -1.736 -14.597 5.869 434 HG2 GLU 55 HG2 GLU 55 -1.277 -12.839 8.302 435 HG3 GLU 55 HG3 GLU 55 -2.290 -14.281 8.293 436 H ARG 56 H ARG 56 0.825 -14.250 4.115 437 HA ARG 56 HA ARG 56 -0.755 -13.722 1.659 438 HB2 ARG 56 HB2 ARG 56 2.211 -14.407 1.816 439 HB3 ARG 56 HB3 ARG 56 1.281 -14.162 0.335 440 HG2 ARG 56 HG2 ARG 56 0.787 -11.804 1.178 441 HG3 ARG 56 HG3 ARG 56 1.986 -12.093 2.443 442 HD2 ARG 56 HD2 ARG 56 3.043 -10.893 0.623 443 HD3 ARG 56 HD3 ARG 56 3.684 -12.542 0.644 444 HE ARG 56 HE ARG 56 1.484 -12.461 -1.094 445 HH11 ARG 56 HH11 ARG 56 4.727 -11.244 -0.994 446 HH12 ARG 56 HH12 ARG 56 4.857 -11.193 -2.713 447 HH21 ARG 56 HH21 ARG 56 1.674 -12.348 -3.263 448 HH22 ARG 56 HH22 ARG 56 3.147 -11.812 -3.983 449 H LYS 57 H LYS 57 -2.059 -15.365 1.284 450 HA LYS 57 HA LYS 57 -1.091 -18.168 1.603 451 HB2 LYS 57 HB2 LYS 57 -3.972 -17.179 1.444 452 HB3 LYS 57 HB3 LYS 57 -3.465 -18.846 1.690 453 HG2 LYS 57 HG2 LYS 57 -3.100 -16.537 3.610 454 HG3 LYS 57 HG3 LYS 57 -4.284 -17.837 3.742 455 HD2 LYS 57 HD2 LYS 57 -2.355 -19.458 3.964 456 HD3 LYS 57 HD3 LYS 57 -1.262 -18.066 4.007 457 HE2 LYS 57 HE2 LYS 57 -3.472 -18.710 5.997 458 HE3 LYS 57 HE3 LYS 57 -1.735 -18.789 6.287 459 HZ1 LYS 57 HZ1 LYS 57 -3.213 -16.285 5.641 460 HZ2 LYS 57 HZ2 LYS 57 -1.585 -16.419 6.096 461 HZ3 LYS 57 HZ3 LYS 57 -2.805 -16.784 7.204 462 H ASN 58 H ASN 58 -0.781 -19.289 -0.246 463 HA ASN 58 HA ASN 58 -0.587 -19.870 -2.434 464 HB2 ASN 58 HB2 ASN 58 -3.396 -18.703 -2.751 465 HB3 ASN 58 HB3 ASN 58 -2.638 -19.924 -3.773 466 HD21 ASN 58 HD21 ASN 58 -4.270 -19.319 -0.787 467 HD22 ASN 58 HD22 ASN 58 -4.453 -20.964 -0.294 468 H GLY 59 H GLY 59 0.419 -17.238 -1.715 469 HA2 GLY 59 HA2 GLY 59 1.573 -15.592 -2.881 470 HA3 GLY 59 HA3 GLY 59 0.725 -16.034 -4.352 471 H LEU 60 H LEU 60 -1.842 -15.684 -2.493 472 HA LEU 60 HA LEU 60 -2.497 -13.057 -3.462 473 HB2 LEU 60 HB2 LEU 60 -4.081 -14.780 -1.508 474 HB3 LEU 60 HB3 LEU 60 -4.695 -13.434 -2.458 475 HG LEU 60 HG LEU 60 -3.808 -16.148 -3.520 476 HD11 LEU 60 HD11 LEU 60 -5.983 -16.194 -2.402 477 HD12 LEU 60 HD12 LEU 60 -6.162 -16.443 -4.136 478 HD13 LEU 60 HD13 LEU 60 -6.564 -14.876 -3.424 479 HD21 LEU 60 HD21 LEU 60 -3.194 -14.414 -5.139 480 HD22 LEU 60 HD22 LEU 60 -4.836 -13.768 -5.104 481 HD23 LEU 60 HD23 LEU 60 -4.535 -15.387 -5.741 482 H ILE 61 H ILE 61 -3.148 -11.225 -2.181 483 HA ILE 61 HA ILE 61 -1.600 -10.950 0.321 484 HB ILE 61 HB ILE 61 -2.686 -8.775 -1.537 485 HG12 ILE 61 HG12 ILE 61 -0.137 -8.283 -1.836 486 HG13 ILE 61 HG13 ILE 61 0.139 -9.872 -1.136 487 HG21 ILE 61 HG21 ILE 61 -1.023 -8.440 0.987 488 HG22 ILE 61 HG22 ILE 61 -2.704 -7.953 0.771 489 HG23 ILE 61 HG23 ILE 61 -1.432 -7.146 -0.146 490 HD11 ILE 61 HD11 ILE 61 -1.361 -9.284 -3.690 491 HD12 ILE 61 HD12 ILE 61 -1.075 -10.889 -3.012 492 HD13 ILE 61 HD13 ILE 61 0.284 -9.907 -3.559 493 H GLU 62 H GLU 62 -2.761 -11.294 2.118 494 HA GLU 62 HA GLU 62 -5.600 -10.507 2.319 495 HB2 GLU 62 HB2 GLU 62 -3.878 -12.063 4.300 496 HB3 GLU 62 HB3 GLU 62 -5.614 -11.780 4.429 497 HG2 GLU 62 HG2 GLU 62 -5.958 -13.163 2.395 498 HG3 GLU 62 HG3 GLU 62 -4.218 -13.474 2.334 499 H ILE 63 H ILE 63 -6.252 -8.882 3.684 500 HA ILE 63 HA ILE 63 -4.242 -7.566 5.428 501 HB ILE 63 HB ILE 63 -6.742 -6.361 4.197 502 HG12 ILE 63 HG12 ILE 63 -3.797 -5.870 3.597 503 HG13 ILE 63 HG13 ILE 63 -4.945 -6.704 2.546 504 HG21 ILE 63 HG21 ILE 63 -6.323 -5.373 6.411 505 HG22 ILE 63 HG22 ILE 63 -5.960 -4.199 5.148 506 HG23 ILE 63 HG23 ILE 63 -4.645 -5.042 5.971 507 HD11 ILE 63 HD11 ILE 63 -5.138 -3.833 3.395 508 HD12 ILE 63 HD12 ILE 63 -6.188 -4.673 2.249 509 HD13 ILE 63 HD13 ILE 63 -4.488 -4.417 1.870 510 H TYR 64 H TYR 64 -4.509 -8.094 7.428 511 HA TYR 64 HA TYR 64 -7.136 -8.881 8.529 512 HB2 TYR 64 HB2 TYR 64 -4.313 -9.261 9.596 513 HB3 TYR 64 HB3 TYR 64 -5.746 -9.642 10.533 514 HD1 TYR 64 HD2 TYR 64 -6.344 -10.550 7.125 515 HD2 TYR 64 HD1 TYR 64 -4.308 -11.839 10.657 516 HE1 TYR 64 HE2 TYR 64 -6.297 -12.846 6.264 517 HE2 TYR 64 HE1 TYR 64 -4.268 -14.138 9.791 518 HH TYR 64 HH TYR 64 -5.094 -14.892 6.530 519 H ASN 65 H ASN 65 -7.955 -7.934 10.442 520 HA ASN 65 HA ASN 65 -7.088 -5.177 11.008 521 HB2 ASN 65 HB2 ASN 65 -9.524 -5.800 10.566 522 HB3 ASN 65 HB3 ASN 65 -9.513 -6.696 12.078 523 HD21 ASN 65 HD21 ASN 65 -9.462 -3.521 10.625 524 HD22 ASN 65 HD22 ASN 65 -9.835 -2.649 12.059 525 H GLU 66 H GLU 66 -6.289 -4.542 13.044 526 HA GLU 66 HA GLU 66 -4.870 -6.361 14.664 527 HB2 GLU 66 HB2 GLU 66 -4.588 -4.451 16.246 528 HB3 GLU 66 HB3 GLU 66 -4.243 -4.016 14.574 529 HG2 GLU 66 HG2 GLU 66 -6.236 -2.760 14.352 530 HG3 GLU 66 HG3 GLU 66 -6.963 -3.490 15.782 531 H GLY 67 H GLY 67 -8.195 -5.524 14.765 532 HA2 GLY 67 HA2 GLY 67 -8.907 -5.755 17.441 533 HA3 GLY 67 HA3 GLY 67 -9.960 -6.075 16.075 534 H HIS 68 H HIS 68 -8.341 -8.408 15.099 535 HA HIS 68 HA HIS 68 -9.656 -10.412 16.673 536 HB2 HIS 68 HB2 HIS 68 -8.740 -12.087 15.165 537 HB3 HIS 68 HB3 HIS 68 -9.310 -10.714 14.236 538 HD1 HIS 68 HD1 HIS 68 -5.981 -12.009 15.588 539 HD2 HIS 68 HD2 HIS 68 -7.555 -10.015 12.297 540 HE1 HIS 68 HE1 HIS 68 -4.072 -11.736 13.988 541 HE2 HIS 68 HE2 HIS 68 -5.085 -10.690 11.948 542 H PHE 69 H PHE 69 -6.681 -8.839 17.192 543 HA PHE 69 HA PHE 69 -5.500 -10.924 18.858 544 HB2 PHE 69 HB2 PHE 69 -4.798 -7.967 18.553 545 HB3 PHE 69 HB3 PHE 69 -3.878 -9.117 19.513 546 HD1 PHE 69 HD2 PHE 69 -2.830 -11.140 18.298 547 HD2 PHE 69 HD1 PHE 69 -4.306 -7.690 16.246 548 HE1 PHE 69 HE2 PHE 69 -1.449 -11.702 16.344 549 HE2 PHE 69 HE1 PHE 69 -2.925 -8.260 14.300 550 HZ PHE 69 HZ PHE 69 -1.494 -10.266 14.344 551 H ASP 70 H ASP 70 -7.023 -7.711 19.431 552 HA ASP 70 HA ASP 70 -7.332 -8.337 22.308 553 HB2 ASP 70 HB2 ASP 70 -7.393 -5.673 20.828 554 HB3 ASP 70 HB3 ASP 70 -7.680 -5.852 22.558 555 H PHE 71 H PHE 71 -9.274 -6.238 20.108 556 HA PHE 71 HA PHE 71 -11.733 -7.685 20.809 557 HB2 PHE 71 HB2 PHE 71 -12.895 -5.590 21.528 558 HB3 PHE 71 HB3 PHE 71 -11.595 -6.056 22.614 559 HD1 PHE 71 HD1 PHE 71 -9.451 -4.734 22.634 560 HD2 PHE 71 HD2 PHE 71 -12.836 -3.459 20.353 561 HE1 PHE 71 HE1 PHE 71 -8.479 -2.484 22.441 562 HE2 PHE 71 HE2 PHE 71 -11.856 -1.212 20.166 563 HZ PHE 71 HZ PHE 71 -9.678 -0.723 21.206 564 H SER 72 H SER 72 -12.848 -8.013 19.014 565 HA SER 72 HA SER 72 -13.223 -5.844 17.049 566 HB2 SER 72 HB2 SER 72 -11.523 -7.389 16.068 567 HB3 SER 72 HB3 SER 72 -12.652 -8.730 16.239 568 HG SER 72 HG SER 72 -12.567 -7.667 14.121 569 H PHE 73 H PHE 73 -15.223 -5.916 15.958 570 HA PHE 73 HA PHE 73 -17.243 -7.847 16.751 571 HB2 PHE 73 HB2 PHE 73 -18.770 -6.137 17.731 572 HB3 PHE 73 HB3 PHE 73 -17.306 -6.349 18.677 573 HD1 PHE 73 HD1 PHE 73 -15.372 -4.578 18.239 574 HD2 PHE 73 HD2 PHE 73 -19.470 -3.938 17.182 575 HE1 PHE 73 HE1 PHE 73 -14.991 -2.144 18.206 576 HE2 PHE 73 HE2 PHE 73 -19.077 -1.512 17.151 577 HZ PHE 73 HZ PHE 73 -16.841 -0.612 17.660 578 H GLY 74 H GLY 74 -18.080 -8.359 14.816 579 HA2 GLY 74 HA2 GLY 74 -18.553 -6.402 12.702 580 HA3 GLY 74 HA3 GLY 74 -18.942 -8.116 12.662 581 H LEU 75 H LEU 75 -19.929 -5.660 15.044 582 HA LEU 75 HA LEU 75 -22.585 -6.562 15.293 583 HB2 LEU 75 HB2 LEU 75 -21.336 -5.331 17.057 584 HB3 LEU 75 HB3 LEU 75 -21.375 -3.877 16.076 585 HG LEU 75 HG LEU 75 -23.866 -3.805 16.300 586 HD11 LEU 75 HD11 LEU 75 -23.520 -6.180 18.155 587 HD12 LEU 75 HD12 LEU 75 -24.328 -6.186 16.584 588 HD13 LEU 75 HD13 LEU 75 -25.009 -5.261 17.920 589 HD21 LEU 75 HD21 LEU 75 -23.936 -3.115 18.667 590 HD22 LEU 75 HD22 LEU 75 -22.486 -2.516 17.864 591 HD23 LEU 75 HD23 LEU 75 -22.381 -3.905 18.950 592 H GLU 76 H GLU 76 -21.172 -3.895 13.441 593 HA GLU 76 HA GLU 76 -23.560 -2.990 12.161 594 HB2 GLU 76 HB2 GLU 76 -20.687 -2.861 11.130 595 HB3 GLU 76 HB3 GLU 76 -22.039 -1.859 10.604 596 HG2 GLU 76 HG2 GLU 76 -22.145 -0.793 12.811 597 HG3 GLU 76 HG3 GLU 76 -20.854 -1.837 13.401 598 H HIS 77 H HIS 77 -24.794 -4.306 10.888 599 HA HIS 77 HA HIS 77 -23.831 -6.873 10.072 600 HB2 HIS 77 HB2 HIS 77 -26.144 -6.522 10.903 601 HB3 HIS 77 HB3 HIS 77 -26.511 -5.566 9.470 602 HD1 HIS 77 HD1 HIS 77 -25.852 -9.110 10.573 603 HD2 HIS 77 HD2 HIS 77 -27.134 -7.090 7.182 604 HE1 HIS 77 HE1 HIS 77 -26.656 -10.888 9.002 605 HE2 HIS 77 HE2 HIS 77 -27.531 -9.637 7.002 606 H HIS 78 H HIS 78 -22.134 -6.289 8.667 607 HA HIS 78 HA HIS 78 -21.086 -6.206 6.690 608 HB2 HIS 78 HB2 HIS 78 -22.300 -8.309 6.447 609 HB3 HIS 78 HB3 HIS 78 -23.689 -7.466 5.772 610 HD1 HIS 78 HD1 HIS 78 -23.594 -6.799 3.310 611 HD2 HIS 78 HD2 HIS 78 -20.101 -8.591 4.654 612 HE1 HIS 78 HE1 HIS 78 -22.257 -7.280 1.259 613 HE2 HIS 78 HE2 HIS 78 -20.258 -8.544 2.075 614 H HIS 79 H HIS 79 -20.690 -4.071 6.135 615 HA HIS 79 HA HIS 79 -22.522 -2.385 4.708 616 HB2 HIS 79 HB2 HIS 79 -20.658 -1.350 5.893 617 HB3 HIS 79 HB3 HIS 79 -19.485 -2.310 4.995 618 HD1 HIS 79 HD1 HIS 79 -22.077 0.406 4.326 619 HD2 HIS 79 HD2 HIS 79 -18.478 -1.005 2.798 620 HE1 HIS 79 HE1 HIS 79 -21.463 1.989 2.481 621 HE2 HIS 79 HE2 HIS 79 -19.382 1.016 1.463 622 H HIS 80 H HIS 80 -23.303 -2.948 2.747 623 HA HIS 80 HA HIS 80 -22.045 -4.729 0.914 624 HB2 HIS 80 HB2 HIS 80 -23.879 -4.235 -0.612 625 HB3 HIS 80 HB3 HIS 80 -24.520 -4.372 1.019 626 HD1 HIS 80 HD1 HIS 80 -23.953 -1.899 -1.745 627 HD2 HIS 80 HD2 HIS 80 -25.658 -1.993 2.046 628 HE1 HIS 80 HE1 HIS 80 -25.221 0.253 -1.526 629 HE2 HIS 80 HE2 HIS 80 -26.105 0.235 0.825 630 H HIS 81 H HIS 81 -21.209 -4.252 -1.231 631 HA HIS 81 HA HIS 81 -19.474 -1.910 -1.211 632 HB2 HIS 81 HB2 HIS 81 -18.332 -2.969 -3.123 633 HB3 HIS 81 HB3 HIS 81 -18.511 -4.099 -1.792 634 HD1 HIS 81 HD1 HIS 81 -20.034 -6.144 -2.164 635 HD2 HIS 81 HD2 HIS 81 -19.739 -3.668 -5.482 636 HE1 HIS 81 HE1 HIS 81 -21.017 -7.448 -4.061 637 HE2 HIS 81 HE2 HIS 81 -20.983 -5.874 -6.013 638 H HIS 82 H HIS 82 -19.035 -0.909 -3.459 639 HA HIS 82 HA HIS 82 -21.417 -0.556 -5.161 640 HB2 HIS 82 HB2 HIS 82 -21.340 1.416 -3.665 641 HB3 HIS 82 HB3 HIS 82 -19.659 1.704 -4.093 642 HD1 HIS 82 HD1 HIS 82 -23.108 1.756 -5.670 643 HD2 HIS 82 HD2 HIS 82 -19.312 3.306 -6.326 644 HE1 HIS 82 HE1 HIS 82 -23.366 3.364 -7.574 645 HE2 HIS 82 HE2 HIS 82 -21.027 4.124 -8.079 646 H1 MET 1 H MET 1 4.599 -12.915 10.755 647 HA MET 1 HA MET 1 6.680 -11.833 11.406 648 HB2 MET 1 HB2 MET 1 8.743 -12.332 10.119 649 HB3 MET 1 HB3 MET 1 8.100 -13.780 10.874 650 HG2 MET 1 HG2 MET 1 7.236 -14.561 8.745 651 HG3 MET 1 HG3 MET 1 7.706 -13.050 7.962 652 HE1 MET 1 HE1 MET 1 9.172 -14.120 6.047 653 HE2 MET 1 HE2 MET 1 8.594 -15.695 6.597 654 HE3 MET 1 HE3 MET 1 10.317 -15.433 6.320 655 H ASP 2 H ASP 2 4.455 -10.891 10.165 656 HA ASP 2 HA ASP 2 4.441 -10.068 7.544 657 HB2 ASP 2 HB2 ASP 2 2.885 -8.173 8.339 658 HB3 ASP 2 HB3 ASP 2 2.422 -9.820 8.748 659 H LYS 3 H LYS 3 5.753 -8.081 10.242 660 HA LYS 3 HA LYS 3 6.545 -5.896 8.594 661 HB2 LYS 3 HB2 LYS 3 7.274 -6.667 11.430 662 HB3 LYS 3 HB3 LYS 3 7.955 -5.237 10.654 663 HG2 LYS 3 HG2 LYS 3 5.686 -4.339 10.302 664 HG3 LYS 3 HG3 LYS 3 4.993 -5.760 11.085 665 HD2 LYS 3 HD2 LYS 3 6.989 -4.003 12.548 666 HD3 LYS 3 HD3 LYS 3 5.290 -3.543 12.451 667 HE2 LYS 3 HE2 LYS 3 5.685 -4.697 14.538 668 HE3 LYS 3 HE3 LYS 3 4.655 -5.689 13.514 669 HZ1 LYS 3 HZ1 LYS 3 6.367 -6.962 14.676 670 HZ2 LYS 3 HZ2 LYS 3 7.581 -6.081 13.894 671 HZ3 LYS 3 HZ3 LYS 3 6.546 -7.074 12.998 672 H LYS 4 H LYS 4 8.213 -8.853 9.467 673 HA LYS 4 HA LYS 4 10.862 -8.103 8.652 674 HB2 LYS 4 HB2 LYS 4 9.576 -10.873 8.777 675 HB3 LYS 4 HB3 LYS 4 11.305 -10.560 8.640 676 HG2 LYS 4 HG2 LYS 4 9.607 -9.668 10.997 677 HG3 LYS 4 HG3 LYS 4 10.480 -11.199 10.948 678 HD2 LYS 4 HD2 LYS 4 11.921 -8.547 10.572 679 HD3 LYS 4 HD3 LYS 4 11.572 -9.184 12.177 680 HE2 LYS 4 HE2 LYS 4 13.841 -9.786 11.552 681 HE3 LYS 4 HE3 LYS 4 12.858 -11.243 11.620 682 HZ1 LYS 4 HZ1 LYS 4 14.328 -11.233 9.719 683 HZ2 LYS 4 HZ2 LYS 4 13.640 -9.803 9.143 684 HZ3 LYS 4 HZ3 LYS 4 12.719 -11.219 9.209 685 H ILE 5 H ILE 5 8.185 -9.801 7.030 686 HA ILE 5 HA ILE 5 9.358 -10.253 4.503 687 HB ILE 5 HB ILE 5 6.416 -9.876 5.223 688 HG12 ILE 5 HG12 ILE 5 7.983 -12.479 4.934 689 HG13 ILE 5 HG13 ILE 5 7.613 -11.716 6.476 690 HG21 ILE 5 HG21 ILE 5 7.609 -11.154 2.733 691 HG22 ILE 5 HG22 ILE 5 6.710 -9.638 2.798 692 HG23 ILE 5 HG23 ILE 5 5.895 -11.159 3.160 693 HD11 ILE 5 HD11 ILE 5 6.106 -13.551 6.013 694 HD12 ILE 5 HD12 ILE 5 5.592 -12.791 4.507 695 HD13 ILE 5 HD13 ILE 5 5.224 -12.026 6.058 696 H VAL 6 H VAL 6 7.035 -7.681 5.475 697 HA VAL 6 HA VAL 6 7.144 -6.266 3.014 698 HB VAL 6 HB VAL 6 5.832 -4.513 4.060 699 HG11 VAL 6 HG11 VAL 6 3.935 -5.807 4.955 700 HG12 VAL 6 HG12 VAL 6 4.980 -7.213 5.179 701 HG13 VAL 6 HG13 VAL 6 4.644 -6.611 3.553 702 HG21 VAL 6 HG21 VAL 6 5.382 -4.424 6.501 703 HG22 VAL 6 HG22 VAL 6 7.099 -4.211 6.154 704 HG23 VAL 6 HG23 VAL 6 6.507 -5.760 6.755 705 H GLY 7 H GLY 7 9.092 -6.071 5.937 706 HA2 GLY 7 HA2 GLY 7 10.477 -3.647 5.445 707 HA3 GLY 7 HA3 GLY 7 11.073 -4.998 6.397 708 H ALA 8 H ALA 8 11.183 -6.992 4.449 709 HA ALA 8 HA ALA 8 13.612 -6.488 3.054 710 HB1 ALA 8 HB1 ALA 8 13.267 -8.731 2.079 711 HB2 ALA 8 HB2 ALA 8 11.600 -8.738 2.671 712 HB3 ALA 8 HB3 ALA 8 12.945 -8.733 3.814 713 H ASN 9 H ASN 9 10.250 -6.836 1.903 714 HA ASN 9 HA ASN 9 10.786 -6.459 -0.871 715 HB2 ASN 9 HB2 ASN 9 8.168 -6.243 0.673 716 HB3 ASN 9 HB3 ASN 9 8.291 -6.297 -1.086 717 HD21 ASN 9 HD21 ASN 9 6.985 -8.152 0.809 718 HD22 ASN 9 HD22 ASN 9 7.673 -9.702 0.489 719 H ALA 10 H ALA 10 10.115 -4.195 1.733 720 HA ALA 10 HA ALA 10 9.463 -1.920 0.102 721 HB1 ALA 10 HB1 ALA 10 9.744 -0.607 2.154 722 HB2 ALA 10 HB2 ALA 10 10.460 -2.006 2.963 723 HB3 ALA 10 HB3 ALA 10 8.773 -2.049 2.450 724 H GLY 11 H GLY 11 12.445 -3.239 1.475 725 HA2 GLY 11 HA2 GLY 11 14.228 -1.133 0.794 726 HA3 GLY 11 HA3 GLY 11 14.666 -2.820 1.032 727 H LYS 12 H LYS 12 13.024 -3.914 -1.007 728 HA LYS 12 HA LYS 12 14.611 -3.651 -3.344 729 HB2 LYS 12 HB2 LYS 12 13.579 -5.760 -2.852 730 HB3 LYS 12 HB3 LYS 12 11.975 -5.043 -2.760 731 HG2 LYS 12 HG2 LYS 12 11.890 -4.730 -5.145 732 HG3 LYS 12 HG3 LYS 12 13.587 -5.173 -5.327 733 HD2 LYS 12 HD2 LYS 12 11.670 -7.184 -4.127 734 HD3 LYS 12 HD3 LYS 12 11.643 -6.914 -5.865 735 HE2 LYS 12 HE2 LYS 12 13.071 -8.833 -5.268 736 HE3 LYS 12 HE3 LYS 12 14.000 -7.553 -6.040 737 HZ1 LYS 12 HZ1 LYS 12 13.893 -8.049 -3.116 738 HZ2 LYS 12 HZ2 LYS 12 14.849 -6.897 -3.907 739 HZ3 LYS 12 HZ3 LYS 12 15.138 -8.542 -4.149 740 H VAL 13 H VAL 13 11.222 -2.563 -2.672 741 HA VAL 13 HA VAL 13 10.881 -1.349 -5.241 742 HB VAL 13 HB VAL 13 8.790 -0.366 -4.420 743 HG11 VAL 13 HG11 VAL 13 8.731 -2.732 -5.076 744 HG12 VAL 13 HG12 VAL 13 7.589 -2.428 -3.767 745 HG13 VAL 13 HG13 VAL 13 9.129 -3.223 -3.426 746 HG21 VAL 13 HG21 VAL 13 8.022 -0.627 -2.079 747 HG22 VAL 13 HG22 VAL 13 9.485 0.355 -2.170 748 HG23 VAL 13 HG23 VAL 13 9.586 -1.325 -1.644 749 H TRP 14 H TRP 14 11.987 -0.082 -2.127 750 HA TRP 14 HA TRP 14 12.041 2.686 -2.871 751 HB2 TRP 14 HB2 TRP 14 12.005 1.807 -0.483 752 HB3 TRP 14 HB3 TRP 14 13.699 1.379 -0.670 753 HD1 TRP 14 HD1 TRP 14 11.408 4.416 -0.116 754 HE1 TRP 14 HE1 TRP 14 12.869 6.457 0.434 755 HE3 TRP 14 HE3 TRP 14 15.982 2.433 -1.135 756 HZ2 TRP 14 HZ2 TRP 14 15.610 7.135 0.442 757 HZ3 TRP 14 HZ3 TRP 14 17.998 3.831 -0.835 758 HH2 TRP 14 HH2 TRP 14 17.807 6.148 -0.064 759 H HIS 15 H HIS 15 14.447 0.068 -2.992 760 HA HIS 15 HA HIS 15 16.711 1.474 -3.867 761 HB2 HIS 15 HB2 HIS 15 16.804 -0.908 -3.267 762 HB3 HIS 15 HB3 HIS 15 15.772 -1.328 -4.629 763 HD1 HIS 15 HD1 HIS 15 19.277 -0.186 -3.827 764 HD2 HIS 15 HD2 HIS 15 17.108 -1.656 -7.048 765 HE1 HIS 15 HE1 HIS 15 20.973 -0.685 -5.606 766 HE2 HIS 15 HE2 HIS 15 19.614 -1.382 -7.604 767 H ALA 16 H ALA 16 13.967 0.202 -5.719 768 HA ALA 16 HA ALA 16 14.782 1.030 -8.306 769 HB1 ALA 16 HB1 ALA 16 11.981 0.578 -7.246 770 HB2 ALA 16 HB2 ALA 16 13.039 -0.660 -7.922 771 HB3 ALA 16 HB3 ALA 16 12.447 0.646 -8.951 772 H LEU 17 H LEU 17 13.048 2.722 -5.706 773 HA LEU 17 HA LEU 17 12.338 5.078 -7.180 774 HB2 LEU 17 HB2 LEU 17 12.725 4.725 -4.181 775 HB3 LEU 17 HB3 LEU 17 11.926 6.091 -4.953 776 HG LEU 17 HG LEU 17 10.929 3.217 -4.981 777 HD11 LEU 17 HD11 LEU 17 9.159 4.002 -3.488 778 HD12 LEU 17 HD12 LEU 17 9.891 5.610 -3.444 779 HD13 LEU 17 HD13 LEU 17 10.758 4.222 -2.769 780 HD21 LEU 17 HD21 LEU 17 8.876 4.111 -5.991 781 HD22 LEU 17 HD22 LEU 17 10.270 4.380 -7.031 782 HD23 LEU 17 HD23 LEU 17 9.605 5.717 -6.087 783 H ASN 18 H ASN 18 15.179 4.090 -5.355 784 HA ASN 18 HA ASN 18 16.455 6.575 -4.970 785 HB2 ASN 18 HB2 ASN 18 17.090 4.540 -3.736 786 HB3 ASN 18 HB3 ASN 18 17.622 3.767 -5.224 787 HD21 ASN 18 HD21 ASN 18 18.366 6.255 -2.864 788 HD22 ASN 18 HD22 ASN 18 20.031 6.419 -3.294 789 H GLU 19 H GLU 19 16.312 4.442 -7.742 790 HA GLU 19 HA GLU 19 18.285 6.032 -9.275 791 HB2 GLU 19 HB2 GLU 19 18.348 4.037 -10.789 792 HB3 GLU 19 HB3 GLU 19 18.823 3.677 -9.132 793 HG2 GLU 19 HG2 GLU 19 16.368 2.907 -8.794 794 HG3 GLU 19 HG3 GLU 19 16.259 2.924 -10.557 795 H ALA 20 H ALA 20 14.869 5.166 -9.151 796 HA ALA 20 HA ALA 20 14.164 7.162 -11.124 797 HB1 ALA 20 HB1 ALA 20 13.598 4.254 -11.819 798 HB2 ALA 20 HB2 ALA 20 14.776 5.292 -12.622 799 HB3 ALA 20 HB3 ALA 20 13.055 5.665 -12.734 800 H ASP 21 H ASP 21 12.969 8.006 -9.346 801 HA ASP 21 HA ASP 21 10.639 6.469 -8.370 802 HB2 ASP 21 HB2 ASP 21 10.514 8.062 -6.550 803 HB3 ASP 21 HB3 ASP 21 12.165 7.475 -6.673 804 H GLY 22 H GLY 22 8.788 8.240 -7.715 805 HA2 GLY 22 HA2 GLY 22 7.054 9.544 -8.498 806 HA3 GLY 22 HA3 GLY 22 8.118 10.148 -9.758 807 H ILE 23 H ILE 23 7.780 6.763 -9.455 808 HA ILE 23 HA ILE 23 6.469 6.557 -12.071 809 HB ILE 23 HB ILE 23 8.631 5.416 -11.729 810 HG12 ILE 23 HG12 ILE 23 6.371 3.390 -12.038 811 HG13 ILE 23 HG13 ILE 23 7.002 4.414 -13.323 812 HG21 ILE 23 HG21 ILE 23 7.270 3.767 -9.577 813 HG22 ILE 23 HG22 ILE 23 8.516 4.991 -9.322 814 HG23 ILE 23 HG23 ILE 23 8.903 3.506 -10.196 815 HD11 ILE 23 HD11 ILE 23 9.178 3.282 -13.126 816 HD12 ILE 23 HD12 ILE 23 7.863 2.176 -13.516 817 HD13 ILE 23 HD13 ILE 23 8.501 2.235 -11.874 818 H SER 24 H SER 24 4.614 5.195 -12.399 819 HA SER 24 HA SER 24 2.678 5.041 -10.309 820 HB2 SER 24 HB2 SER 24 2.704 3.653 -13.025 821 HB3 SER 24 HB3 SER 24 1.298 3.795 -11.968 822 HG SER 24 HG SER 24 1.055 5.820 -12.539 823 H ILE 25 H ILE 25 1.800 3.183 -9.252 824 HA ILE 25 HA ILE 25 3.637 1.415 -8.143 825 HB ILE 25 HB ILE 25 0.605 1.196 -8.231 826 HG12 ILE 25 HG12 ILE 25 1.505 3.240 -7.089 827 HG13 ILE 25 HG13 ILE 25 0.637 2.187 -5.979 828 HG21 ILE 25 HG21 ILE 25 1.479 -1.031 -7.760 829 HG22 ILE 25 HG22 ILE 25 0.767 -0.359 -6.297 830 HG23 ILE 25 HG23 ILE 25 2.522 -0.395 -6.484 831 HD11 ILE 25 HD11 ILE 25 3.634 2.384 -6.239 832 HD12 ILE 25 HD12 ILE 25 2.752 1.362 -5.098 833 HD13 ILE 25 HD13 ILE 25 2.641 3.117 -4.981 834 HA PRO 26 HA PRO 26 1.969 -2.273 -10.939 835 HB2 PRO 26 HB2 PRO 26 0.949 -1.669 -13.440 836 HB3 PRO 26 HB3 PRO 26 -0.054 -1.846 -11.995 837 HG2 PRO 26 HG2 PRO 26 1.030 0.682 -13.241 838 HG3 PRO 26 HG3 PRO 26 -0.623 0.335 -12.681 839 HD2 PRO 26 HD2 PRO 26 1.076 1.741 -11.140 840 HD3 PRO 26 HD3 PRO 26 -0.042 0.566 -10.411 841 H GLU 27 H GLU 27 3.428 0.535 -12.494 842 HA GLU 27 HA GLU 27 5.009 -0.861 -14.458 843 HB2 GLU 27 HB2 GLU 27 5.242 1.939 -13.270 844 HB3 GLU 27 HB3 GLU 27 6.158 1.371 -14.669 845 HG2 GLU 27 HG2 GLU 27 3.131 1.620 -14.533 846 HG3 GLU 27 HG3 GLU 27 4.216 2.787 -15.289 847 H LEU 28 H LEU 28 5.628 0.703 -11.390 848 HA LEU 28 HA LEU 28 8.262 -0.033 -10.840 849 HB2 LEU 28 HB2 LEU 28 7.027 1.691 -9.650 850 HB3 LEU 28 HB3 LEU 28 5.841 0.522 -9.100 851 HG LEU 28 HG LEU 28 7.609 -0.546 -7.691 852 HD11 LEU 28 HD11 LEU 28 9.618 0.163 -8.901 853 HD12 LEU 28 HD12 LEU 28 9.689 0.653 -7.210 854 HD13 LEU 28 HD13 LEU 28 9.308 1.845 -8.457 855 HD21 LEU 28 HD21 LEU 28 5.994 1.035 -6.771 856 HD22 LEU 28 HD22 LEU 28 7.071 2.382 -7.156 857 HD23 LEU 28 HD23 LEU 28 7.554 1.183 -5.951 858 H ALA 29 H ALA 29 5.202 -1.747 -10.272 859 HA ALA 29 HA ALA 29 6.105 -3.872 -8.653 860 HB1 ALA 29 HB1 ALA 29 4.000 -4.993 -9.244 861 HB2 ALA 29 HB2 ALA 29 3.745 -3.851 -10.568 862 HB3 ALA 29 HB3 ALA 29 3.725 -3.286 -8.896 863 H ARG 30 H ARG 30 5.736 -3.615 -12.157 864 HA ARG 30 HA ARG 30 6.543 -6.230 -12.877 865 HB2 ARG 30 HB2 ARG 30 5.265 -4.691 -14.348 866 HB3 ARG 30 HB3 ARG 30 6.671 -3.639 -14.470 867 HG2 ARG 30 HG2 ARG 30 7.910 -5.399 -15.660 868 HG3 ARG 30 HG3 ARG 30 6.537 -6.499 -15.490 869 HD2 ARG 30 HD2 ARG 30 6.632 -5.459 -17.744 870 HD3 ARG 30 HD3 ARG 30 5.145 -5.044 -16.883 871 HE ARG 30 HE ARG 30 7.472 -3.218 -17.007 872 HH11 ARG 30 HH11 ARG 30 4.069 -3.691 -17.442 873 HH12 ARG 30 HH12 ARG 30 3.771 -2.009 -17.696 874 HH21 ARG 30 HH21 ARG 30 7.061 -1.098 -17.324 875 HH22 ARG 30 HH22 ARG 30 5.445 -0.565 -17.632 876 H LYS 31 H LYS 31 8.348 -3.221 -12.333 877 HA LYS 31 HA LYS 31 10.927 -4.107 -13.141 878 HB2 LYS 31 HB2 LYS 31 10.033 -1.912 -11.234 879 HB3 LYS 31 HB3 LYS 31 11.728 -2.182 -11.636 880 HG2 LYS 31 HG2 LYS 31 11.275 -1.698 -13.996 881 HG3 LYS 31 HG3 LYS 31 9.554 -1.505 -13.647 882 HD2 LYS 31 HD2 LYS 31 10.769 0.675 -13.871 883 HD3 LYS 31 HD3 LYS 31 9.981 0.477 -12.305 884 HE2 LYS 31 HE2 LYS 31 12.242 1.471 -12.097 885 HE3 LYS 31 HE3 LYS 31 12.134 -0.078 -11.265 886 HZ1 LYS 31 HZ1 LYS 31 13.212 -1.112 -13.192 887 HZ2 LYS 31 HZ2 LYS 31 14.180 0.074 -12.482 888 HZ3 LYS 31 HZ3 LYS 31 13.365 0.405 -13.926 889 H VAL 32 H VAL 32 9.300 -4.147 -9.950 890 HA VAL 32 HA VAL 32 11.691 -5.230 -8.622 891 HB VAL 32 HB VAL 32 10.491 -4.850 -6.510 892 HG11 VAL 32 HG11 VAL 32 10.315 -2.452 -8.384 893 HG12 VAL 32 HG12 VAL 32 11.736 -2.960 -7.467 894 HG13 VAL 32 HG13 VAL 32 10.305 -2.378 -6.619 895 HG21 VAL 32 HG21 VAL 32 8.239 -3.807 -6.464 896 HG22 VAL 32 HG22 VAL 32 8.200 -5.402 -7.213 897 HG23 VAL 32 HG23 VAL 32 8.136 -3.958 -8.221 898 H ASN 33 H ASN 33 9.541 -6.722 -10.425 899 HA ASN 33 HA ASN 33 8.819 -8.851 -10.723 900 HB2 ASN 33 HB2 ASN 33 10.788 -9.522 -8.495 901 HB3 ASN 33 HB3 ASN 33 10.063 -10.696 -9.587 902 HD21 ASN 33 HD21 ASN 33 10.776 -10.786 -11.737 903 HD22 ASN 33 HD22 ASN 33 12.230 -10.015 -12.258 904 H LEU 34 H LEU 34 7.579 -7.108 -8.488 905 HA LEU 34 HA LEU 34 6.104 -9.205 -6.989 906 HB2 LEU 34 HB2 LEU 34 6.287 -6.203 -6.477 907 HB3 LEU 34 HB3 LEU 34 5.391 -7.347 -5.489 908 HG LEU 34 HG LEU 34 8.426 -7.307 -5.805 909 HD11 LEU 34 HD11 LEU 34 7.635 -5.357 -4.546 910 HD12 LEU 34 HD12 LEU 34 8.495 -6.478 -3.493 911 HD13 LEU 34 HD13 LEU 34 6.729 -6.404 -3.450 912 HD21 LEU 34 HD21 LEU 34 7.597 -9.574 -5.372 913 HD22 LEU 34 HD22 LEU 34 6.694 -8.999 -3.968 914 HD23 LEU 34 HD23 LEU 34 8.459 -8.947 -3.967 915 H SER 35 H SER 35 3.713 -8.765 -6.688 916 HA SER 35 HA SER 35 2.352 -7.786 -9.060 917 HB2 SER 35 HB2 SER 35 1.444 -9.702 -7.797 918 HB3 SER 35 HB3 SER 35 1.227 -8.687 -6.372 919 HG SER 35 HG SER 35 -0.237 -8.810 -8.736 920 H VAL 36 H VAL 36 0.541 -6.150 -8.887 921 HA VAL 36 HA VAL 36 1.338 -3.605 -8.091 922 HB VAL 36 HB VAL 36 -1.533 -4.602 -8.375 923 HG11 VAL 36 HG11 VAL 36 -0.491 -1.742 -8.518 924 HG12 VAL 36 HG12 VAL 36 -1.516 -2.416 -7.249 925 HG13 VAL 36 HG13 VAL 36 -2.143 -2.249 -8.888 926 HG21 VAL 36 HG21 VAL 36 0.300 -3.374 -10.462 927 HG22 VAL 36 HG22 VAL 36 -1.399 -3.789 -10.704 928 HG23 VAL 36 HG23 VAL 36 -0.217 -5.059 -10.390 929 H GLU 37 H GLU 37 -0.882 -5.790 -6.354 930 HA GLU 37 HA GLU 37 -1.423 -4.234 -4.089 931 HB2 GLU 37 HB2 GLU 37 -1.266 -7.263 -4.332 932 HB3 GLU 37 HB3 GLU 37 -1.986 -6.407 -2.972 933 HG2 GLU 37 HG2 GLU 37 -3.676 -5.425 -4.517 934 HG3 GLU 37 HG3 GLU 37 -2.979 -6.363 -5.842 935 H SER 38 H SER 38 1.054 -6.790 -4.466 936 HA SER 38 HA SER 38 2.222 -6.688 -1.921 937 HB2 SER 38 HB2 SER 38 3.568 -7.418 -4.556 938 HB3 SER 38 HB3 SER 38 4.118 -7.897 -2.948 939 HG SER 38 HG SER 38 2.972 -9.601 -3.625 940 H THR 39 H THR 39 2.970 -4.846 -4.842 941 HA THR 39 HA THR 39 5.380 -3.613 -3.908 942 HB THR 39 HB THR 39 3.558 -2.940 -6.252 943 HG1 THR 39 HG1 THR 39 4.516 -4.760 -6.823 944 HG21 THR 39 HG21 THR 39 6.353 -1.882 -5.683 945 HG22 THR 39 HG22 THR 39 4.866 -0.929 -5.680 946 HG23 THR 39 HG23 THR 39 5.453 -1.648 -7.181 947 H ALA 40 H ALA 40 2.021 -2.394 -4.308 948 HA ALA 40 HA ALA 40 2.429 0.216 -3.271 949 HB1 ALA 40 HB1 ALA 40 -0.032 0.300 -3.071 950 HB2 ALA 40 HB2 ALA 40 -0.114 -1.449 -3.318 951 HB3 ALA 40 HB3 ALA 40 0.464 -0.400 -4.612 952 H LEU 41 H LEU 41 1.703 -2.837 -1.708 953 HA LEU 41 HA LEU 41 1.217 -1.882 0.939 954 HB2 LEU 41 HB2 LEU 41 0.286 -3.962 0.137 955 HB3 LEU 41 HB3 LEU 41 1.859 -4.587 -0.280 956 HG LEU 41 HG LEU 41 0.585 -5.568 1.764 957 HD11 LEU 41 HD11 LEU 41 3.490 -4.812 2.090 958 HD12 LEU 41 HD12 LEU 41 2.859 -6.181 1.172 959 HD13 LEU 41 HD13 LEU 41 2.634 -6.119 2.917 960 HD21 LEU 41 HD21 LEU 41 0.977 -4.499 3.922 961 HD22 LEU 41 HD22 LEU 41 0.009 -3.467 2.873 962 HD23 LEU 41 HD23 LEU 41 1.721 -3.109 3.127 963 H ALA 42 H ALA 42 4.109 -3.091 -0.769 964 HA ALA 42 HA ALA 42 5.957 -2.874 1.395 965 HB1 ALA 42 HB1 ALA 42 6.486 -2.763 -1.596 966 HB2 ALA 42 HB2 ALA 42 6.411 -4.227 -0.611 967 HB3 ALA 42 HB3 ALA 42 7.696 -3.048 -0.342 968 H VAL 43 H VAL 43 4.978 -0.599 -1.155 969 HA VAL 43 HA VAL 43 6.563 1.626 -0.441 970 HB VAL 43 HB VAL 43 3.881 1.444 -1.884 971 HG11 VAL 43 HG11 VAL 43 5.639 3.911 -1.626 972 HG12 VAL 43 HG12 VAL 43 4.035 3.702 -0.921 973 HG13 VAL 43 HG13 VAL 43 4.225 3.765 -2.674 974 HG21 VAL 43 HG21 VAL 43 5.220 1.854 -3.930 975 HG22 VAL 43 HG22 VAL 43 5.769 0.404 -3.088 976 HG23 VAL 43 HG23 VAL 43 6.694 1.901 -2.960 977 H GLY 44 H GLY 44 3.477 0.421 0.806 978 HA2 GLY 44 HA2 GLY 44 2.772 2.505 2.566 979 HA3 GLY 44 HA3 GLY 44 2.369 0.808 2.775 980 H TRP 45 H TRP 45 5.102 -0.169 2.984 981 HA TRP 45 HA TRP 45 5.745 0.428 5.723 982 HB2 TRP 45 HB2 TRP 45 6.148 -1.823 4.740 983 HB3 TRP 45 HB3 TRP 45 7.382 -1.138 3.685 984 HD1 TRP 45 HD1 TRP 45 9.822 -1.029 4.683 985 HE1 TRP 45 HE1 TRP 45 10.869 -1.514 6.966 986 HE3 TRP 45 HE3 TRP 45 5.540 -1.635 7.422 987 HZ2 TRP 45 HZ2 TRP 45 10.013 -2.062 9.592 988 HZ3 TRP 45 HZ3 TRP 45 5.746 -2.127 9.824 989 HH2 TRP 45 HH2 TRP 45 7.939 -2.337 10.885 990 H LEU 46 H LEU 46 6.873 1.676 2.642 991 HA LEU 46 HA LEU 46 9.044 3.225 3.728 992 HB2 LEU 46 HB2 LEU 46 7.457 3.663 1.173 993 HB3 LEU 46 HB3 LEU 46 9.006 4.405 1.565 994 HG LEU 46 HG LEU 46 8.518 1.431 1.114 995 HD11 LEU 46 HD11 LEU 46 9.873 1.705 -0.910 996 HD12 LEU 46 HD12 LEU 46 9.958 3.445 -0.630 997 HD13 LEU 46 HD13 LEU 46 8.402 2.677 -0.964 998 HD21 LEU 46 HD21 LEU 46 11.117 2.883 1.734 999 HD22 LEU 46 HD22 LEU 46 10.972 1.183 1.274 1000 HD23 LEU 46 HD23 LEU 46 10.267 1.746 2.786 1001 H ALA 47 H ALA 47 5.611 3.875 3.055 1002 HA ALA 47 HA ALA 47 5.454 6.605 3.635 1003 HB1 ALA 47 HB1 ALA 47 3.028 6.236 3.859 1004 HB2 ALA 47 HB2 ALA 47 3.298 4.495 3.992 1005 HB3 ALA 47 HB3 ALA 47 3.684 5.335 2.489 1006 H ARG 48 H ARG 48 5.406 3.863 5.886 1007 HA ARG 48 HA ARG 48 4.640 5.395 8.186 1008 HB2 ARG 48 HB2 ARG 48 5.298 3.376 9.503 1009 HB3 ARG 48 HB3 ARG 48 4.155 3.068 8.214 1010 HG2 ARG 48 HG2 ARG 48 5.529 1.236 8.018 1011 HG3 ARG 48 HG3 ARG 48 6.267 2.332 6.858 1012 HD2 ARG 48 HD2 ARG 48 8.046 1.316 8.082 1013 HD3 ARG 48 HD3 ARG 48 7.926 2.979 8.658 1014 HE ARG 48 HE ARG 48 7.024 0.569 10.111 1015 HH11 ARG 48 HH11 ARG 48 7.892 3.919 10.198 1016 HH12 ARG 48 HH12 ARG 48 8.010 3.934 11.919 1017 HH21 ARG 48 HH21 ARG 48 7.210 0.633 12.306 1018 HH22 ARG 48 HH22 ARG 48 7.618 2.122 13.081 1019 H GLU 49 H GLU 49 7.639 5.124 6.551 1020 HA GLU 49 HA GLU 49 8.997 6.669 8.699 1021 HB2 GLU 49 HB2 GLU 49 10.214 5.085 6.392 1022 HB3 GLU 49 HB3 GLU 49 11.135 6.050 7.543 1023 HG2 GLU 49 HG2 GLU 49 10.352 4.564 9.377 1024 HG3 GLU 49 HG3 GLU 49 9.498 3.582 8.187 1025 H ASN 50 H ASN 50 7.083 7.452 6.407 1026 HA ASN 50 HA ASN 50 6.759 8.882 4.707 1027 HB2 ASN 50 HB2 ASN 50 7.290 11.210 5.190 1028 HB3 ASN 50 HB3 ASN 50 6.799 10.381 6.662 1029 HD21 ASN 50 HD21 ASN 50 9.475 11.824 4.944 1030 HD22 ASN 50 HD22 ASN 50 10.514 11.989 6.310 1031 H LYS 51 H LYS 51 9.017 7.120 4.184 1032 HA LYS 51 HA LYS 51 11.055 8.462 2.715 1033 HB2 LYS 51 HB2 LYS 51 10.138 5.573 2.821 1034 HB3 LYS 51 HB3 LYS 51 11.445 6.084 1.758 1035 HG2 LYS 51 HG2 LYS 51 12.722 6.880 3.716 1036 HG3 LYS 51 HG3 LYS 51 11.428 6.329 4.785 1037 HD2 LYS 51 HD2 LYS 51 11.857 4.029 4.293 1038 HD3 LYS 51 HD3 LYS 51 12.837 4.422 2.877 1039 HE2 LYS 51 HE2 LYS 51 14.223 3.653 4.781 1040 HE3 LYS 51 HE3 LYS 51 14.611 5.309 4.321 1041 HZ1 LYS 51 HZ1 LYS 51 13.258 6.086 6.177 1042 HZ2 LYS 51 HZ2 LYS 51 14.500 5.071 6.704 1043 HZ3 LYS 51 HZ3 LYS 51 12.920 4.490 6.613 1044 H VAL 52 H VAL 52 7.792 7.871 1.913 1045 HA VAL 52 HA VAL 52 8.314 8.414 -0.949 1046 HB VAL 52 HB VAL 52 6.129 7.216 -1.483 1047 HG11 VAL 52 HG11 VAL 52 8.380 5.523 -0.344 1048 HG12 VAL 52 HG12 VAL 52 8.299 6.190 -1.976 1049 HG13 VAL 52 HG13 VAL 52 7.139 4.961 -1.469 1050 HG21 VAL 52 HG21 VAL 52 5.148 7.173 0.791 1051 HG22 VAL 52 HG22 VAL 52 6.439 6.102 1.339 1052 HG23 VAL 52 HG23 VAL 52 5.279 5.540 0.133 1053 H VAL 53 H VAL 53 7.043 9.848 -1.994 1054 HA VAL 53 HA VAL 53 5.152 11.535 -0.469 1055 HB VAL 53 HB VAL 53 6.788 12.223 -2.963 1056 HG11 VAL 53 HG11 VAL 53 4.690 13.501 -2.927 1057 HG12 VAL 53 HG12 VAL 53 6.051 14.569 -2.581 1058 HG13 VAL 53 HG13 VAL 53 5.007 14.022 -1.268 1059 HG21 VAL 53 HG21 VAL 53 8.135 13.684 -1.485 1060 HG22 VAL 53 HG22 VAL 53 8.245 11.993 -0.991 1061 HG23 VAL 53 HG23 VAL 53 7.224 13.114 -0.085 1062 H ILE 54 H ILE 54 3.029 11.386 -1.118 1063 HA ILE 54 HA ILE 54 2.387 9.707 -3.455 1064 HB ILE 54 HB ILE 54 0.797 10.357 -0.922 1065 HG12 ILE 54 HG12 ILE 54 0.802 7.805 -0.684 1066 HG13 ILE 54 HG13 ILE 54 1.947 7.744 -2.012 1067 HG21 ILE 54 HG21 ILE 54 -0.807 10.369 -2.769 1068 HG22 ILE 54 HG22 ILE 54 -1.038 8.912 -1.801 1069 HG23 ILE 54 HG23 ILE 54 -0.197 8.818 -3.350 1070 HD11 ILE 54 HD11 ILE 54 2.401 9.044 0.673 1071 HD12 ILE 54 HD12 ILE 54 3.569 8.967 -0.651 1072 HD13 ILE 54 HD13 ILE 54 3.030 7.486 0.135 1073 H GLU 55 H GLU 55 1.862 10.867 -5.238 1074 HA GLU 55 HA GLU 55 0.540 13.503 -4.929 1075 HB2 GLU 55 HB2 GLU 55 3.036 13.484 -5.584 1076 HB3 GLU 55 HB3 GLU 55 2.510 12.833 -7.135 1077 HG2 GLU 55 HG2 GLU 55 2.892 15.296 -7.114 1078 HG3 GLU 55 HG3 GLU 55 1.282 14.818 -7.647 1079 H ARG 56 H ARG 56 -1.456 13.413 -5.655 1080 HA ARG 56 HA ARG 56 -2.286 11.453 -7.687 1081 HB2 ARG 56 HB2 ARG 56 -3.922 13.307 -5.911 1082 HB3 ARG 56 HB3 ARG 56 -4.581 12.048 -6.954 1083 HG2 ARG 56 HG2 ARG 56 -3.931 10.327 -5.538 1084 HG3 ARG 56 HG3 ARG 56 -2.547 11.217 -4.904 1085 HD2 ARG 56 HD2 ARG 56 -5.463 11.647 -4.171 1086 HD3 ARG 56 HD3 ARG 56 -4.205 10.953 -3.144 1087 HE ARG 56 HE ARG 56 -4.688 13.741 -3.675 1088 HH11 ARG 56 HH11 ARG 56 -2.263 11.513 -2.572 1089 HH12 ARG 56 HH12 ARG 56 -1.276 12.772 -1.917 1090 HH21 ARG 56 HH21 ARG 56 -3.396 15.292 -2.841 1091 HH22 ARG 56 HH22 ARG 56 -1.921 14.859 -2.051 1092 H LYS 57 H LYS 57 -1.693 12.272 -9.595 1093 HA LYS 57 HA LYS 57 -2.363 15.018 -10.436 1094 HB2 LYS 57 HB2 LYS 57 -0.446 12.924 -11.547 1095 HB3 LYS 57 HB3 LYS 57 -0.717 14.501 -12.289 1096 HG2 LYS 57 HG2 LYS 57 0.313 15.649 -10.477 1097 HG3 LYS 57 HG3 LYS 57 0.261 14.221 -9.433 1098 HD2 LYS 57 HD2 LYS 57 1.954 13.111 -10.702 1099 HD3 LYS 57 HD3 LYS 57 1.878 14.305 -12.004 1100 HE2 LYS 57 HE2 LYS 57 2.776 16.006 -10.419 1101 HE3 LYS 57 HE3 LYS 57 2.920 14.747 -9.192 1102 HZ1 LYS 57 HZ1 LYS 57 4.422 13.558 -10.672 1103 HZ2 LYS 57 HZ2 LYS 57 5.008 15.096 -10.291 1104 HZ3 LYS 57 HZ3 LYS 57 4.312 14.812 -11.803 1105 H ASN 58 H ASN 58 -4.230 15.169 -11.543 1106 HA ASN 58 HA ASN 58 -6.144 14.692 -12.654 1107 HB2 ASN 58 HB2 ASN 58 -4.320 12.942 -14.364 1108 HB3 ASN 58 HB3 ASN 58 -5.887 13.582 -14.855 1109 HD21 ASN 58 HD21 ASN 58 -3.158 13.973 -15.955 1110 HD22 ASN 58 HD22 ASN 58 -2.920 15.676 -16.005 1111 H GLY 59 H GLY 59 -5.585 13.074 -10.346 1112 HA2 GLY 59 HA2 GLY 59 -6.817 11.404 -9.246 1113 HA3 GLY 59 HA3 GLY 59 -7.318 10.741 -10.791 1114 H LEU 60 H LEU 60 -4.307 10.854 -11.573 1115 HA LEU 60 HA LEU 60 -3.757 8.078 -10.943 1116 HB2 LEU 60 HB2 LEU 60 -2.159 10.122 -12.542 1117 HB3 LEU 60 HB3 LEU 60 -1.796 8.402 -12.463 1118 HG LEU 60 HG LEU 60 -4.329 9.606 -13.660 1119 HD11 LEU 60 HD11 LEU 60 -3.408 8.954 -15.840 1120 HD12 LEU 60 HD12 LEU 60 -1.916 8.411 -15.067 1121 HD13 LEU 60 HD13 LEU 60 -2.365 10.118 -15.024 1122 HD21 LEU 60 HD21 LEU 60 -3.386 6.711 -13.631 1123 HD22 LEU 60 HD22 LEU 60 -4.798 7.333 -14.493 1124 HD23 LEU 60 HD23 LEU 60 -4.754 7.375 -12.733 1125 H ILE 61 H ILE 61 -2.402 7.334 -9.354 1126 HA ILE 61 HA ILE 61 -1.071 9.300 -7.626 1127 HB ILE 61 HB ILE 61 -1.598 6.335 -7.170 1128 HG12 ILE 61 HG12 ILE 61 -3.061 8.823 -6.185 1129 HG13 ILE 61 HG13 ILE 61 -3.693 7.602 -7.282 1130 HG21 ILE 61 HG21 ILE 61 0.361 7.087 -5.876 1131 HG22 ILE 61 HG22 ILE 61 -1.000 6.751 -4.807 1132 HG23 ILE 61 HG23 ILE 61 -0.583 8.419 -5.202 1133 HD11 ILE 61 HD11 ILE 61 -3.667 5.972 -5.452 1134 HD12 ILE 61 HD12 ILE 61 -4.648 7.388 -5.079 1135 HD13 ILE 61 HD13 ILE 61 -3.048 7.216 -4.359 1136 H GLU 62 H GLU 62 1.031 9.661 -7.701 1137 HA GLU 62 HA GLU 62 2.943 7.631 -8.729 1138 HB2 GLU 62 HB2 GLU 62 3.209 10.679 -8.849 1139 HB3 GLU 62 HB3 GLU 62 4.404 9.517 -9.419 1140 HG2 GLU 62 HG2 GLU 62 2.739 8.715 -11.101 1141 HG3 GLU 62 HG3 GLU 62 1.645 9.998 -10.584 1142 H ILE 63 H ILE 63 4.755 7.234 -7.419 1143 HA ILE 63 HA ILE 63 4.805 8.612 -4.795 1144 HB ILE 63 HB ILE 63 5.982 6.298 -4.066 1145 HG12 ILE 63 HG12 ILE 63 4.679 4.344 -5.081 1146 HG13 ILE 63 HG13 ILE 63 4.152 5.422 -6.365 1147 HG21 ILE 63 HG21 ILE 63 3.800 5.564 -3.178 1148 HG22 ILE 63 HG22 ILE 63 2.971 6.679 -4.267 1149 HG23 ILE 63 HG23 ILE 63 4.024 7.305 -2.995 1150 HD11 ILE 63 HD11 ILE 63 5.956 3.978 -7.064 1151 HD12 ILE 63 HD12 ILE 63 6.988 4.599 -5.776 1152 HD13 ILE 63 HD13 ILE 63 6.471 5.664 -7.087 1153 H TYR 64 H TYR 64 6.320 10.080 -4.886 1154 HA TYR 64 HA TYR 64 8.948 9.661 -6.071 1155 HB2 TYR 64 HB2 TYR 64 7.696 12.004 -4.562 1156 HB3 TYR 64 HB3 TYR 64 9.355 12.020 -5.156 1157 HD1 TYR 64 HD2 TYR 64 5.779 11.848 -6.266 1158 HD2 TYR 64 HD1 TYR 64 9.836 12.483 -7.468 1159 HE1 TYR 64 HE2 TYR 64 5.011 12.577 -8.491 1160 HE2 TYR 64 HE1 TYR 64 9.069 13.210 -9.680 1161 HH TYR 64 HH TYR 64 7.084 12.838 -11.136 1162 H ASN 65 H ASN 65 10.968 10.160 -4.701 1163 HA ASN 65 HA ASN 65 10.782 8.715 -2.139 1164 HB2 ASN 65 HB2 ASN 65 13.261 8.602 -2.229 1165 HB3 ASN 65 HB3 ASN 65 12.498 7.928 -3.661 1166 HD21 ASN 65 HD21 ASN 65 14.294 8.161 -4.958 1167 HD22 ASN 65 HD22 ASN 65 14.899 9.691 -5.474 1168 H GLU 66 H GLU 66 12.043 9.467 -0.255 1169 HA GLU 66 HA GLU 66 11.387 12.074 0.619 1170 HB2 GLU 66 HB2 GLU 66 11.689 10.141 2.146 1171 HB3 GLU 66 HB3 GLU 66 13.406 10.101 1.765 1172 HG2 GLU 66 HG2 GLU 66 13.642 12.368 2.793 1173 HG3 GLU 66 HG3 GLU 66 11.937 12.310 3.243 1174 H GLY 67 H GLY 67 14.120 10.933 -1.191 1175 HA2 GLY 67 HA2 GLY 67 16.185 12.703 -0.478 1176 HA3 GLY 67 HA3 GLY 67 16.033 11.877 -2.018 1177 H HIS 68 H HIS 68 13.307 13.460 -2.212 1178 HA HIS 68 HA HIS 68 14.381 15.855 -3.501 1179 HB2 HIS 68 HB2 HIS 68 11.509 14.869 -3.209 1180 HB3 HIS 68 HB3 HIS 68 12.010 16.249 -4.188 1181 HD1 HIS 68 HD1 HIS 68 14.289 15.290 -5.781 1182 HD2 HIS 68 HD2 HIS 68 11.089 12.792 -4.928 1183 HE1 HIS 68 HE1 HIS 68 14.403 13.466 -7.477 1184 HE2 HIS 68 HE2 HIS 68 12.609 11.864 -6.804 1185 H PHE 69 H PHE 69 12.564 15.044 -0.579 1186 HA PHE 69 HA PHE 69 12.603 17.881 0.289 1187 HB2 PHE 69 HB2 PHE 69 10.967 15.526 1.342 1188 HB3 PHE 69 HB3 PHE 69 10.940 17.151 2.023 1189 HD1 PHE 69 HD1 PHE 69 9.878 19.020 0.800 1190 HD2 PHE 69 HD2 PHE 69 9.840 15.052 -0.801 1191 HE1 PHE 69 HE1 PHE 69 8.136 19.678 -0.810 1192 HE2 PHE 69 HE2 PHE 69 8.097 15.720 -2.405 1193 HZ PHE 69 HZ PHE 69 7.244 18.033 -2.412 1194 H ASP 70 H ASP 70 14.784 17.913 0.807 1195 HA ASP 70 HA ASP 70 15.982 15.995 2.634 1196 HB2 ASP 70 HB2 ASP 70 18.075 17.272 2.213 1197 HB3 ASP 70 HB3 ASP 70 17.297 16.732 0.732 1198 H PHE 71 H PHE 71 13.845 17.547 3.756 1199 HA PHE 71 HA PHE 71 15.096 19.320 5.751 1200 HB2 PHE 71 HB2 PHE 71 12.139 18.717 5.271 1201 HB3 PHE 71 HB3 PHE 71 12.792 19.988 6.299 1202 HD1 PHE 71 HD1 PHE 71 14.052 21.927 5.216 1203 HD2 PHE 71 HD2 PHE 71 11.800 19.100 2.920 1204 HE1 PHE 71 HE1 PHE 71 14.015 23.489 3.315 1205 HE2 PHE 71 HE2 PHE 71 11.768 20.669 1.027 1206 HZ PHE 71 HZ PHE 71 12.877 22.863 1.219 1207 H SER 72 H SER 72 15.418 16.341 5.698 1208 HA SER 72 HA SER 72 13.933 15.279 7.957 1209 HB2 SER 72 HB2 SER 72 16.260 14.053 6.414 1210 HB3 SER 72 HB3 SER 72 15.200 13.205 7.545 1211 HG SER 72 HG SER 72 13.904 12.907 5.927 1212 H PHE 73 H PHE 73 16.781 17.120 7.614 1213 HA PHE 73 HA PHE 73 18.237 16.272 9.931 1214 HB2 PHE 73 HB2 PHE 73 19.598 18.250 9.597 1215 HB3 PHE 73 HB3 PHE 73 19.224 17.598 8.009 1216 HD1 PHE 73 HD2 PHE 73 17.389 18.744 6.617 1217 HD2 PHE 73 HD1 PHE 73 19.024 20.514 10.155 1218 HE1 PHE 73 HE2 PHE 73 16.540 20.946 5.917 1219 HE2 PHE 73 HE1 PHE 73 18.167 22.707 9.448 1220 HZ PHE 73 HZ PHE 73 16.930 22.926 7.330 1221 H GLY 74 H GLY 74 18.702 18.092 11.691 1222 HA2 GLY 74 HA2 GLY 74 16.466 19.783 12.419 1223 HA3 GLY 74 HA3 GLY 74 16.718 18.403 13.489 1224 H LEU 75 H LEU 75 17.197 19.795 15.201 1225 HA LEU 75 HA LEU 75 19.804 21.197 15.120 1226 HB2 LEU 75 HB2 LEU 75 17.419 21.615 16.973 1227 HB3 LEU 75 HB3 LEU 75 18.981 22.365 17.227 1228 HG LEU 75 HG LEU 75 17.595 24.038 16.276 1229 HD11 LEU 75 HD11 LEU 75 19.308 22.988 14.016 1230 HD12 LEU 75 HD12 LEU 75 19.843 24.010 15.353 1231 HD13 LEU 75 HD13 LEU 75 18.680 24.632 14.186 1232 HD21 LEU 75 HD21 LEU 75 16.774 22.126 14.072 1233 HD22 LEU 75 HD22 LEU 75 16.296 23.821 14.219 1234 HD23 LEU 75 HD23 LEU 75 15.777 22.653 15.431 1235 H GLU 76 H GLU 76 21.288 20.811 16.781 1236 HA GLU 76 HA GLU 76 21.595 18.221 17.799 1237 HB2 GLU 76 HB2 GLU 76 22.820 20.807 18.850 1238 HB3 GLU 76 HB3 GLU 76 23.406 19.185 19.223 1239 HG2 GLU 76 HG2 GLU 76 24.013 18.836 16.875 1240 HG3 GLU 76 HG3 GLU 76 23.345 20.412 16.444 1241 H HIS 77 H HIS 77 21.219 17.260 19.826 1242 HA HIS 77 HA HIS 77 19.059 18.282 21.401 1243 HB2 HIS 77 HB2 HIS 77 19.448 15.839 21.115 1244 HB3 HIS 77 HB3 HIS 77 20.934 15.960 22.054 1245 HD1 HIS 77 HD1 HIS 77 20.673 16.426 24.626 1246 HD2 HIS 77 HD2 HIS 77 17.090 15.783 22.625 1247 HE1 HIS 77 HE1 HIS 77 18.954 16.109 26.424 1248 HE2 HIS 77 HE2 HIS 77 16.827 15.595 25.189 1249 H HIS 78 H HIS 78 19.433 20.127 22.466 1250 HA HIS 78 HA HIS 78 21.924 21.020 23.463 1251 HB2 HIS 78 HB2 HIS 78 20.061 22.507 22.698 1252 HB3 HIS 78 HB3 HIS 78 19.132 22.055 24.124 1253 HD1 HIS 78 HD1 HIS 78 22.437 23.729 23.258 1254 HD2 HIS 78 HD2 HIS 78 19.548 23.748 26.242 1255 HE1 HIS 78 HE1 HIS 78 23.112 25.560 24.824 1256 HE2 HIS 78 HE2 HIS 78 21.426 25.469 26.687 1257 H HIS 79 H HIS 79 22.941 20.421 25.243 1258 HA HIS 79 HA HIS 79 21.485 19.716 27.724 1259 HB2 HIS 79 HB2 HIS 79 23.021 17.815 28.112 1260 HB3 HIS 79 HB3 HIS 79 22.139 17.591 26.605 1261 HD1 HIS 79 HD1 HIS 79 23.511 17.768 24.383 1262 HD2 HIS 79 HD2 HIS 79 25.814 18.055 27.832 1263 HE1 HIS 79 HE1 HIS 79 25.880 17.488 23.632 1264 HE2 HIS 79 HE2 HIS 79 27.225 17.458 25.748 1265 H HIS 80 H HIS 80 22.854 19.908 29.671 1266 HA HIS 80 HA HIS 80 24.482 22.273 29.671 1267 HB2 HIS 80 HB2 HIS 80 23.008 21.652 31.571 1268 HB3 HIS 80 HB3 HIS 80 24.007 20.241 31.893 1269 HD1 HIS 80 HD1 HIS 80 26.110 20.590 33.279 1270 HD2 HIS 80 HD2 HIS 80 24.284 24.165 32.206 1271 HE1 HIS 80 HE1 HIS 80 27.275 22.358 34.616 1272 HE2 HIS 80 HE2 HIS 80 26.047 24.479 34.074 1273 H HIS 81 H HIS 81 26.657 22.438 29.369 1274 HA HIS 81 HA HIS 81 28.344 20.158 28.958 1275 HB2 HIS 81 HB2 HIS 81 30.210 21.904 28.795 1276 HB3 HIS 81 HB3 HIS 81 28.897 22.048 27.641 1277 HD1 HIS 81 HD1 HIS 81 28.464 24.415 27.204 1278 HD2 HIS 81 HD2 HIS 81 29.462 23.825 31.191 1279 HE1 HIS 81 HE1 HIS 81 28.347 26.678 28.264 1280 HE2 HIS 81 HE2 HIS 81 28.770 26.272 30.703 1281 H HIS 82 H HIS 82 29.554 19.047 30.354 1282 HA HIS 82 HA HIS 82 30.741 20.191 32.731 1283 HB2 HIS 82 HB2 HIS 82 28.402 19.572 33.500 1284 HB3 HIS 82 HB3 HIS 82 28.756 17.895 33.110 1285 HD1 HIS 82 HD1 HIS 82 29.926 16.540 34.910 1286 HD2 HIS 82 HD2 HIS 82 30.023 20.623 35.675 1287 HE1 HIS 82 HE1 HIS 82 30.871 16.771 37.222 1288 HE2 HIS 82 HE2 HIS 82 30.728 19.223 37.727 Start of MODEL 2 1 H1 MET 1 H1 MET 1 1.782 16.804 4.075 2 H2 MET 1 H2 MET 1 1.778 18.259 3.211 3 H3 MET 1 H3 MET 1 2.122 16.811 2.418 4 HA MET 1 HA MET 1 -0.453 17.519 3.695 5 HB2 MET 1 HB2 MET 1 -1.375 17.667 1.388 6 HB3 MET 1 HB3 MET 1 -0.113 18.856 1.672 7 HG2 MET 1 HG2 MET 1 1.481 17.565 0.383 8 HG3 MET 1 HG3 MET 1 0.340 16.232 0.220 9 HE1 MET 1 HE1 MET 1 -2.411 17.674 -0.435 10 HE2 MET 1 HE2 MET 1 -1.806 16.285 -1.339 11 HE3 MET 1 HE3 MET 1 -2.355 17.724 -2.197 12 H ASP 2 H ASP 2 1.564 14.957 2.420 13 HA ASP 2 HA ASP 2 -0.537 13.220 1.551 14 HB2 ASP 2 HB2 ASP 2 1.166 11.537 1.220 15 HB3 ASP 2 HB3 ASP 2 1.792 13.086 0.674 16 H LYS 3 H LYS 3 1.097 13.643 4.667 17 HA LYS 3 HA LYS 3 0.519 11.145 5.868 18 HB2 LYS 3 HB2 LYS 3 0.808 13.778 7.378 19 HB3 LYS 3 HB3 LYS 3 1.121 12.157 7.994 20 HG2 LYS 3 HG2 LYS 3 2.741 13.653 5.910 21 HG3 LYS 3 HG3 LYS 3 3.207 13.348 7.586 22 HD2 LYS 3 HD2 LYS 3 3.341 10.937 7.138 23 HD3 LYS 3 HD3 LYS 3 2.766 11.189 5.484 24 HE2 LYS 3 HE2 LYS 3 4.813 12.572 5.039 25 HE3 LYS 3 HE3 LYS 3 5.395 12.166 6.660 26 HZ1 LYS 3 HZ1 LYS 3 5.396 9.855 6.059 27 HZ2 LYS 3 HZ2 LYS 3 6.316 10.733 4.944 28 HZ3 LYS 3 HZ3 LYS 3 4.764 10.208 4.529 29 H LYS 4 H LYS 4 -1.236 14.248 6.042 30 HA LYS 4 HA LYS 4 -3.309 13.356 7.778 31 HB2 LYS 4 HB2 LYS 4 -4.486 15.446 7.153 32 HB3 LYS 4 HB3 LYS 4 -2.807 15.733 7.593 33 HG2 LYS 4 HG2 LYS 4 -2.177 16.030 5.265 34 HG3 LYS 4 HG3 LYS 4 -3.785 15.553 4.717 35 HD2 LYS 4 HD2 LYS 4 -3.167 18.035 6.374 36 HD3 LYS 4 HD3 LYS 4 -3.408 18.019 4.624 37 HE2 LYS 4 HE2 LYS 4 -5.729 17.136 5.000 38 HE3 LYS 4 HE3 LYS 4 -5.468 17.294 6.740 39 HZ1 LYS 4 HZ1 LYS 4 -6.665 19.166 5.795 40 HZ2 LYS 4 HZ2 LYS 4 -5.357 19.523 4.789 41 HZ3 LYS 4 HZ3 LYS 4 -5.196 19.653 6.466 42 H ILE 5 H ILE 5 -2.997 13.354 4.236 43 HA ILE 5 HA ILE 5 -5.713 12.723 3.609 44 HB ILE 5 HB ILE 5 -3.172 12.252 1.986 45 HG12 ILE 5 HG12 ILE 5 -5.270 14.459 1.757 46 HG13 ILE 5 HG13 ILE 5 -3.685 14.653 2.495 47 HG21 ILE 5 HG21 ILE 5 -4.647 12.000 -0.005 48 HG22 ILE 5 HG22 ILE 5 -6.064 12.061 1.042 49 HG23 ILE 5 HG23 ILE 5 -4.925 10.722 1.181 50 HD11 ILE 5 HD11 ILE 5 -2.623 14.238 0.327 51 HD12 ILE 5 HD12 ILE 5 -3.755 15.587 0.254 52 HD13 ILE 5 HD13 ILE 5 -4.213 14.022 -0.413 53 H VAL 6 H VAL 6 -2.785 10.628 3.649 54 HA VAL 6 HA VAL 6 -4.213 8.210 3.183 55 HB VAL 6 HB VAL 6 -2.110 7.016 3.726 56 HG11 VAL 6 HG11 VAL 6 -0.700 8.003 1.947 57 HG12 VAL 6 HG12 VAL 6 -1.674 9.474 1.981 58 HG13 VAL 6 HG13 VAL 6 -2.398 7.947 1.468 59 HG21 VAL 6 HG21 VAL 6 -1.305 8.369 5.621 60 HG22 VAL 6 HG22 VAL 6 -1.023 9.743 4.554 61 HG23 VAL 6 HG23 VAL 6 -0.057 8.278 4.373 62 H GLY 7 H GLY 7 -3.343 9.906 6.144 63 HA2 GLY 7 HA2 GLY 7 -4.113 7.913 8.034 64 HA3 GLY 7 HA3 GLY 7 -4.024 9.641 8.324 65 H ALA 8 H ALA 8 -5.867 10.575 6.497 66 HA ALA 8 HA ALA 8 -8.351 10.342 7.794 67 HB1 ALA 8 HB1 ALA 8 -9.214 11.652 5.875 68 HB2 ALA 8 HB2 ALA 8 -7.708 11.361 5.005 69 HB3 ALA 8 HB3 ALA 8 -7.699 12.308 6.493 70 H ASN 9 H ASN 9 -7.127 8.770 4.836 71 HA ASN 9 HA ASN 9 -9.615 7.326 4.353 72 HB2 ASN 9 HB2 ASN 9 -6.946 7.284 2.893 73 HB3 ASN 9 HB3 ASN 9 -8.347 6.331 2.405 74 HD21 ASN 9 HD21 ASN 9 -6.933 9.485 2.435 75 HD22 ASN 9 HD22 ASN 9 -8.159 10.277 1.525 76 H ALA 10 H ALA 10 -6.647 6.692 6.087 77 HA ALA 10 HA ALA 10 -6.604 3.839 5.917 78 HB1 ALA 10 HB1 ALA 10 -5.500 5.637 8.109 79 HB2 ALA 10 HB2 ALA 10 -4.643 5.141 6.648 80 HB3 ALA 10 HB3 ALA 10 -5.086 3.936 7.860 81 H GLY 11 H GLY 11 -8.273 6.111 8.038 82 HA2 GLY 11 HA2 GLY 11 -9.318 4.332 9.972 83 HA3 GLY 11 HA3 GLY 11 -9.998 5.888 9.534 84 H LYS 12 H LYS 12 -10.622 5.342 6.798 85 HA LYS 12 HA LYS 12 -13.105 3.917 7.133 86 HB2 LYS 12 HB2 LYS 12 -13.787 4.782 5.082 87 HB3 LYS 12 HB3 LYS 12 -12.695 6.022 5.673 88 HG2 LYS 12 HG2 LYS 12 -10.918 4.950 4.156 89 HG3 LYS 12 HG3 LYS 12 -12.236 4.009 3.457 90 HD2 LYS 12 HD2 LYS 12 -11.782 7.008 3.341 91 HD3 LYS 12 HD3 LYS 12 -11.976 5.874 2.002 92 HE2 LYS 12 HE2 LYS 12 -14.158 6.781 3.920 93 HE3 LYS 12 HE3 LYS 12 -13.962 7.292 2.248 94 HZ1 LYS 12 HZ1 LYS 12 -15.681 5.598 2.540 95 HZ2 LYS 12 HZ2 LYS 12 -14.522 4.503 3.100 96 HZ3 LYS 12 HZ3 LYS 12 -14.451 5.083 1.516 97 H VAL 13 H VAL 13 -9.988 3.175 5.669 98 HA VAL 13 HA VAL 13 -10.698 0.725 4.397 99 HB VAL 13 HB VAL 13 -7.998 1.703 5.417 100 HG11 VAL 13 HG11 VAL 13 -6.967 -0.076 4.011 101 HG12 VAL 13 HG12 VAL 13 -8.570 -0.725 3.663 102 HG13 VAL 13 HG13 VAL 13 -7.945 -0.759 5.312 103 HG21 VAL 13 HG21 VAL 13 -7.518 2.174 3.031 104 HG22 VAL 13 HG22 VAL 13 -8.940 3.066 3.574 105 HG23 VAL 13 HG23 VAL 13 -9.135 1.614 2.587 106 H TRP 14 H TRP 14 -9.318 1.439 7.583 107 HA TRP 14 HA TRP 14 -9.278 -1.207 8.587 108 HB2 TRP 14 HB2 TRP 14 -8.101 0.895 9.569 109 HB3 TRP 14 HB3 TRP 14 -9.629 1.237 10.373 110 HD1 TRP 14 HD1 TRP 14 -6.583 -1.062 10.579 111 HE1 TRP 14 HE1 TRP 14 -6.726 -2.474 12.721 112 HE3 TRP 14 HE3 TRP 14 -11.332 0.107 11.999 113 HZ2 TRP 14 HZ2 TRP 14 -8.610 -3.031 14.756 114 HZ3 TRP 14 HZ3 TRP 14 -12.255 -0.899 14.060 115 HH2 TRP 14 HH2 TRP 14 -10.914 -2.442 15.408 116 H HIS 15 H HIS 15 -11.823 1.284 8.608 117 HA HIS 15 HA HIS 15 -13.755 -0.080 10.162 118 HB2 HIS 15 HB2 HIS 15 -14.109 2.273 9.677 119 HB3 HIS 15 HB3 HIS 15 -14.125 1.970 7.942 120 HD1 HIS 15 HD1 HIS 15 -16.180 1.012 11.007 121 HD2 HIS 15 HD2 HIS 15 -16.657 1.621 6.928 122 HE1 HIS 15 HE1 HIS 15 -18.623 0.646 10.555 123 HE2 HIS 15 HE2 HIS 15 -18.844 0.827 8.058 124 H ALA 16 H ALA 16 -13.058 -0.246 6.661 125 HA ALA 16 HA ALA 16 -15.236 -1.925 5.927 126 HB1 ALA 16 HB1 ALA 16 -13.947 -0.654 4.277 127 HB2 ALA 16 HB2 ALA 16 -13.964 -2.371 3.874 128 HB3 ALA 16 HB3 ALA 16 -12.525 -1.649 4.603 129 H LEU 17 H LEU 17 -12.011 -2.625 7.146 130 HA LEU 17 HA LEU 17 -12.092 -5.473 7.111 131 HB2 LEU 17 HB2 LEU 17 -10.596 -3.483 8.844 132 HB3 LEU 17 HB3 LEU 17 -10.296 -5.211 8.883 133 HG LEU 17 HG LEU 17 -9.948 -3.507 6.394 134 HD11 LEU 17 HD11 LEU 17 -8.355 -2.801 8.122 135 HD12 LEU 17 HD12 LEU 17 -7.541 -3.629 6.794 136 HD13 LEU 17 HD13 LEU 17 -7.815 -4.473 8.323 137 HD21 LEU 17 HD21 LEU 17 -10.422 -5.879 5.943 138 HD22 LEU 17 HD22 LEU 17 -9.094 -6.359 7.006 139 HD23 LEU 17 HD23 LEU 17 -8.761 -5.471 5.517 140 H ASN 18 H ASN 18 -12.961 -3.075 9.621 141 HA ASN 18 HA ASN 18 -13.848 -4.773 11.669 142 HB2 ASN 18 HB2 ASN 18 -13.453 -2.363 11.992 143 HB3 ASN 18 HB3 ASN 18 -14.760 -1.970 10.888 144 HD21 ASN 18 HD21 ASN 18 -14.850 -4.407 13.478 145 HD22 ASN 18 HD22 ASN 18 -16.067 -3.602 14.391 146 H GLU 19 H GLU 19 -15.430 -3.803 8.681 147 HA GLU 19 HA GLU 19 -18.025 -4.937 9.288 148 HB2 GLU 19 HB2 GLU 19 -16.774 -4.170 6.607 149 HB3 GLU 19 HB3 GLU 19 -18.471 -4.577 6.864 150 HG2 GLU 19 HG2 GLU 19 -18.757 -2.603 8.289 151 HG3 GLU 19 HG3 GLU 19 -17.050 -2.207 8.120 152 H ALA 20 H ALA 20 -15.182 -5.930 7.318 153 HA ALA 20 HA ALA 20 -15.501 -8.728 7.827 154 HB1 ALA 20 HB1 ALA 20 -17.340 -8.491 6.199 155 HB2 ALA 20 HB2 ALA 20 -16.045 -9.499 5.551 156 HB3 ALA 20 HB3 ALA 20 -16.217 -7.825 5.012 157 H ASP 21 H ASP 21 -13.382 -9.108 8.162 158 HA ASP 21 HA ASP 21 -11.285 -7.991 6.442 159 HB2 ASP 21 HB2 ASP 21 -9.733 -8.664 8.184 160 HB3 ASP 21 HB3 ASP 21 -11.089 -7.807 8.902 161 H GLY 22 H GLY 22 -9.243 -9.722 6.470 162 HA2 GLY 22 HA2 GLY 22 -8.332 -11.496 5.305 163 HA3 GLY 22 HA3 GLY 22 -9.864 -12.349 5.481 164 H ILE 23 H ILE 23 -9.315 -9.202 3.983 165 HA ILE 23 HA ILE 23 -10.605 -10.175 1.499 166 HB ILE 23 HB ILE 23 -12.064 -8.715 2.852 167 HG12 ILE 23 HG12 ILE 23 -11.133 -7.269 0.330 168 HG13 ILE 23 HG13 ILE 23 -12.255 -8.623 0.362 169 HG21 ILE 23 HG21 ILE 23 -10.355 -7.419 4.048 170 HG22 ILE 23 HG22 ILE 23 -11.546 -6.354 3.299 171 HG23 ILE 23 HG23 ILE 23 -9.953 -6.553 2.563 172 HD11 ILE 23 HD11 ILE 23 -12.728 -5.887 1.549 173 HD12 ILE 23 HD12 ILE 23 -13.857 -7.245 1.619 174 HD13 ILE 23 HD13 ILE 23 -13.426 -6.535 0.064 175 H SER 24 H SER 24 -9.807 -9.510 -0.481 176 HA SER 24 HA SER 24 -7.069 -8.593 -0.668 177 HB2 SER 24 HB2 SER 24 -9.105 -9.117 -2.877 178 HB3 SER 24 HB3 SER 24 -7.367 -8.898 -3.101 179 HG SER 24 HG SER 24 -7.015 -10.809 -1.977 180 H ILE 25 H ILE 25 -6.384 -6.741 -1.928 181 HA ILE 25 HA ILE 25 -7.520 -4.354 -1.001 182 HB ILE 25 HB ILE 25 -5.509 -4.676 -3.257 183 HG12 ILE 25 HG12 ILE 25 -4.707 -5.750 -1.191 184 HG13 ILE 25 HG13 ILE 25 -3.775 -4.294 -1.511 185 HG21 ILE 25 HG21 ILE 25 -6.494 -2.430 -3.304 186 HG22 ILE 25 HG22 ILE 25 -4.820 -2.352 -2.760 187 HG23 ILE 25 HG23 ILE 25 -6.131 -2.207 -1.587 188 HD11 ILE 25 HD11 ILE 25 -4.251 -4.533 0.833 189 HD12 ILE 25 HD12 ILE 25 -5.982 -4.588 0.511 190 HD13 ILE 25 HD13 ILE 25 -5.070 -3.108 0.193 191 HA PRO 26 HA PRO 26 -9.225 -3.400 -5.547 192 HB2 PRO 26 HB2 PRO 26 -9.961 -6.123 -6.566 193 HB3 PRO 26 HB3 PRO 26 -9.201 -4.773 -7.420 194 HG2 PRO 26 HG2 PRO 26 -7.810 -6.966 -6.709 195 HG3 PRO 26 HG3 PRO 26 -7.062 -5.357 -6.717 196 HD2 PRO 26 HD2 PRO 26 -8.066 -6.988 -4.394 197 HD3 PRO 26 HD3 PRO 26 -6.608 -5.980 -4.517 198 H GLU 27 H GLU 27 -10.411 -6.142 -3.692 199 HA GLU 27 HA GLU 27 -13.239 -5.721 -4.122 200 HB2 GLU 27 HB2 GLU 27 -11.799 -7.335 -1.960 201 HB3 GLU 27 HB3 GLU 27 -13.512 -7.474 -2.381 202 HG2 GLU 27 HG2 GLU 27 -11.109 -8.314 -4.034 203 HG3 GLU 27 HG3 GLU 27 -12.380 -9.338 -3.363 204 H LEU 28 H LEU 28 -10.853 -5.004 -1.761 205 HA LEU 28 HA LEU 28 -12.430 -3.800 0.291 206 HB2 LEU 28 HB2 LEU 28 -10.254 -4.850 0.640 207 HB3 LEU 28 HB3 LEU 28 -9.499 -3.717 -0.468 208 HG LEU 28 HG LEU 28 -10.020 -1.876 1.156 209 HD11 LEU 28 HD11 LEU 28 -10.552 -2.429 3.484 210 HD12 LEU 28 HD12 LEU 28 -10.744 -4.131 3.054 211 HD13 LEU 28 HD13 LEU 28 -11.858 -2.922 2.405 212 HD21 LEU 28 HD21 LEU 28 -7.815 -2.861 0.965 213 HD22 LEU 28 HD22 LEU 28 -8.253 -4.136 2.108 214 HD23 LEU 28 HD23 LEU 28 -8.153 -2.458 2.652 215 H ALA 29 H ALA 29 -10.741 -2.559 -2.553 216 HA ALA 29 HA ALA 29 -10.900 0.220 -2.135 217 HB1 ALA 29 HB1 ALA 29 -9.499 -0.835 -3.879 218 HB2 ALA 29 HB2 ALA 29 -10.541 0.410 -4.563 219 HB3 ALA 29 HB3 ALA 29 -10.949 -1.296 -4.773 220 H ARG 30 H ARG 30 -13.185 -2.084 -3.510 221 HA ARG 30 HA ARG 30 -15.272 -0.336 -4.323 222 HB2 ARG 30 HB2 ARG 30 -15.313 -3.239 -3.401 223 HB3 ARG 30 HB3 ARG 30 -16.689 -2.429 -4.148 224 HG2 ARG 30 HG2 ARG 30 -14.028 -2.575 -5.590 225 HG3 ARG 30 HG3 ARG 30 -15.139 -3.947 -5.608 226 HD2 ARG 30 HD2 ARG 30 -15.881 -1.136 -6.522 227 HD3 ARG 30 HD3 ARG 30 -15.375 -2.445 -7.598 228 HE ARG 30 HE ARG 30 -17.347 -3.704 -6.560 229 HH11 ARG 30 HH11 ARG 30 -17.469 -0.279 -7.094 230 HH12 ARG 30 HH12 ARG 30 -19.189 -0.285 -7.275 231 HH21 ARG 30 HH21 ARG 30 -19.522 -3.657 -6.788 232 HH22 ARG 30 HH22 ARG 30 -20.331 -2.158 -7.093 233 H LYS 31 H LYS 31 -14.555 -1.963 -1.247 234 HA LYS 31 HA LYS 31 -16.877 -1.221 0.212 235 HB2 LYS 31 HB2 LYS 31 -14.076 -1.881 1.222 236 HB3 LYS 31 HB3 LYS 31 -15.517 -1.818 2.229 237 HG2 LYS 31 HG2 LYS 31 -15.054 -3.776 -0.050 238 HG3 LYS 31 HG3 LYS 31 -14.813 -4.131 1.663 239 HD2 LYS 31 HD2 LYS 31 -17.452 -3.423 0.318 240 HD3 LYS 31 HD3 LYS 31 -16.964 -5.022 0.886 241 HE2 LYS 31 HE2 LYS 31 -17.451 -2.573 2.620 242 HE3 LYS 31 HE3 LYS 31 -18.513 -3.972 2.472 243 HZ1 LYS 31 HZ1 LYS 31 -17.095 -3.955 4.488 244 HZ2 LYS 31 HZ2 LYS 31 -15.731 -4.131 3.505 245 HZ3 LYS 31 HZ3 LYS 31 -16.909 -5.342 3.539 246 H VAL 32 H VAL 32 -13.693 0.334 -0.167 247 HA VAL 32 HA VAL 32 -14.376 2.433 1.794 248 HB VAL 32 HB VAL 32 -12.032 2.904 1.978 249 HG11 VAL 32 HG11 VAL 32 -12.779 0.938 3.224 250 HG12 VAL 32 HG12 VAL 32 -11.118 0.706 2.677 251 HG13 VAL 32 HG13 VAL 32 -12.442 -0.108 1.839 252 HG21 VAL 32 HG21 VAL 32 -11.370 2.795 -0.386 253 HG22 VAL 32 HG22 VAL 32 -11.527 1.038 -0.375 254 HG23 VAL 32 HG23 VAL 32 -10.285 1.821 0.607 255 H ASN 33 H ASN 33 -14.952 2.178 -1.351 256 HA ASN 33 HA ASN 33 -15.598 3.625 -2.965 257 HB2 ASN 33 HB2 ASN 33 -15.068 5.899 -1.004 258 HB3 ASN 33 HB3 ASN 33 -16.103 5.961 -2.423 259 HD21 ASN 33 HD21 ASN 33 -18.120 4.766 -2.348 260 HD22 ASN 33 HD22 ASN 33 -18.851 4.406 -0.826 261 H LEU 34 H LEU 34 -12.532 3.158 -2.325 262 HA LEU 34 HA LEU 34 -11.393 5.406 -3.908 263 HB2 LEU 34 HB2 LEU 34 -9.984 3.465 -2.028 264 HB3 LEU 34 HB3 LEU 34 -9.207 4.771 -2.910 265 HG LEU 34 HG LEU 34 -11.276 5.133 -0.700 266 HD11 LEU 34 HD11 LEU 34 -9.169 4.265 0.184 267 HD12 LEU 34 HD12 LEU 34 -9.417 5.935 0.686 268 HD13 LEU 34 HD13 LEU 34 -8.271 5.565 -0.608 269 HD21 LEU 34 HD21 LEU 34 -10.699 7.532 -0.799 270 HD22 LEU 34 HD22 LEU 34 -11.381 6.968 -2.323 271 HD23 LEU 34 HD23 LEU 34 -9.640 7.226 -2.181 272 H SER 35 H SER 35 -9.325 4.679 -5.161 273 HA SER 35 HA SER 35 -9.782 2.240 -6.715 274 HB2 SER 35 HB2 SER 35 -9.024 4.243 -7.915 275 HB3 SER 35 HB3 SER 35 -7.589 4.354 -6.898 276 HG SER 35 HG SER 35 -7.220 3.352 -8.960 277 H VAL 36 H VAL 36 -7.877 0.796 -7.144 278 HA VAL 36 HA VAL 36 -7.134 -0.663 -4.895 279 HB VAL 36 HB VAL 36 -5.676 -0.600 -7.578 280 HG11 VAL 36 HG11 VAL 36 -4.946 -2.918 -7.054 281 HG12 VAL 36 HG12 VAL 36 -5.692 -2.796 -5.460 282 HG13 VAL 36 HG13 VAL 36 -4.319 -1.765 -5.871 283 HG21 VAL 36 HG21 VAL 36 -7.143 -2.475 -8.231 284 HG22 VAL 36 HG22 VAL 36 -8.088 -1.034 -7.853 285 HG23 VAL 36 HG23 VAL 36 -7.994 -2.356 -6.687 286 H GLU 37 H GLU 37 -5.112 1.660 -6.711 287 HA GLU 37 HA GLU 37 -2.748 1.473 -5.188 288 HB2 GLU 37 HB2 GLU 37 -3.830 3.841 -6.762 289 HB3 GLU 37 HB3 GLU 37 -2.190 3.719 -6.131 290 HG2 GLU 37 HG2 GLU 37 -1.810 1.735 -7.562 291 HG3 GLU 37 HG3 GLU 37 -3.430 1.941 -8.241 292 H SER 38 H SER 38 -5.386 3.894 -4.933 293 HA SER 38 HA SER 38 -4.349 5.385 -2.769 294 HB2 SER 38 HB2 SER 38 -7.234 5.084 -3.710 295 HB3 SER 38 HB3 SER 38 -6.674 6.321 -2.577 296 HG SER 38 HG SER 38 -6.707 6.481 -5.184 297 H THR 39 H THR 39 -6.221 2.434 -2.826 298 HA THR 39 HA THR 39 -7.050 2.471 -0.049 299 HB THR 39 HB THR 39 -7.132 0.218 -2.110 300 HG1 THR 39 HG1 THR 39 -8.738 1.369 -2.850 301 HG21 THR 39 HG21 THR 39 -8.575 0.446 0.560 302 HG22 THR 39 HG22 THR 39 -7.270 -0.685 0.191 303 HG23 THR 39 HG23 THR 39 -8.822 -0.826 -0.639 304 H ALA 40 H ALA 40 -4.745 0.470 -1.954 305 HA ALA 40 HA ALA 40 -3.704 -1.111 0.140 306 HB1 ALA 40 HB1 ALA 40 -2.393 -0.323 -2.491 307 HB2 ALA 40 HB2 ALA 40 -3.435 -1.719 -2.218 308 HB3 ALA 40 HB3 ALA 40 -1.858 -1.641 -1.436 309 H LEU 41 H LEU 41 -2.799 2.041 -1.026 310 HA LEU 41 HA LEU 41 -0.378 2.547 0.312 311 HB2 LEU 41 HB2 LEU 41 -1.896 3.871 -1.470 312 HB3 LEU 41 HB3 LEU 41 -2.478 4.684 -0.038 313 HG LEU 41 HG LEU 41 0.313 4.741 -1.229 314 HD11 LEU 41 HD11 LEU 41 -1.349 6.206 -2.228 315 HD12 LEU 41 HD12 LEU 41 -0.122 7.140 -1.379 316 HD13 LEU 41 HD13 LEU 41 -1.716 6.908 -0.649 317 HD21 LEU 41 HD21 LEU 41 1.043 6.197 0.629 318 HD22 LEU 41 HD22 LEU 41 0.666 4.570 1.186 319 HD23 LEU 41 HD23 LEU 41 -0.476 5.884 1.479 320 H ALA 42 H ALA 42 -3.734 3.297 1.253 321 HA ALA 42 HA ALA 42 -3.210 4.351 3.841 322 HB1 ALA 42 HB1 ALA 42 -5.258 4.857 2.575 323 HB2 ALA 42 HB2 ALA 42 -5.646 4.195 4.162 324 HB3 ALA 42 HB3 ALA 42 -5.778 3.178 2.724 325 H VAL 43 H VAL 43 -3.738 1.078 2.650 326 HA VAL 43 HA VAL 43 -4.009 -0.284 5.139 327 HB VAL 43 HB VAL 43 -2.835 -1.301 2.509 328 HG11 VAL 43 HG11 VAL 43 -3.778 -2.920 4.910 329 HG12 VAL 43 HG12 VAL 43 -2.111 -2.762 4.353 330 HG13 VAL 43 HG13 VAL 43 -3.300 -3.593 3.348 331 HG21 VAL 43 HG21 VAL 43 -5.056 -2.309 2.117 332 HG22 VAL 43 HG22 VAL 43 -5.168 -0.556 2.264 333 HG23 VAL 43 HG23 VAL 43 -5.656 -1.585 3.610 334 H GLY 44 H GLY 44 -1.135 0.603 3.210 335 HA2 GLY 44 HA2 GLY 44 0.880 -0.451 4.896 336 HA3 GLY 44 HA3 GLY 44 1.077 0.885 3.775 337 H TRP 45 H TRP 45 -0.894 2.612 5.007 338 HA TRP 45 HA TRP 45 0.627 3.813 7.133 339 HB2 TRP 45 HB2 TRP 45 -0.742 5.084 5.427 340 HB3 TRP 45 HB3 TRP 45 -2.197 4.509 6.233 341 HD1 TRP 45 HD1 TRP 45 -3.002 5.893 8.337 342 HE1 TRP 45 HE1 TRP 45 -2.129 7.980 9.547 343 HE3 TRP 45 HE3 TRP 45 1.629 6.209 6.178 344 HZ2 TRP 45 HZ2 TRP 45 0.196 9.566 9.593 345 HZ3 TRP 45 HZ3 TRP 45 3.125 8.054 6.870 346 HH2 TRP 45 HH2 TRP 45 2.421 9.692 8.548 347 H LEU 46 H LEU 46 -2.206 1.685 7.037 348 HA LEU 46 HA LEU 46 -2.690 1.702 9.864 349 HB2 LEU 46 HB2 LEU 46 -3.334 -0.340 7.702 350 HB3 LEU 46 HB3 LEU 46 -3.819 -0.544 9.381 351 HG LEU 46 HG LEU 46 -4.712 1.742 7.571 352 HD11 LEU 46 HD11 LEU 46 -6.284 -0.681 8.512 353 HD12 LEU 46 HD12 LEU 46 -5.722 -0.369 6.865 354 HD13 LEU 46 HD13 LEU 46 -6.929 0.687 7.597 355 HD21 LEU 46 HD21 LEU 46 -4.592 2.440 9.918 356 HD22 LEU 46 HD22 LEU 46 -5.568 1.053 10.406 357 HD23 LEU 46 HD23 LEU 46 -6.272 2.319 9.395 358 H ALA 47 H ALA 47 -0.745 -0.377 7.720 359 HA ALA 47 HA ALA 47 0.124 -2.309 9.548 360 HB1 ALA 47 HB1 ALA 47 1.561 -1.329 7.054 361 HB2 ALA 47 HB2 ALA 47 0.296 -2.560 7.100 362 HB3 ALA 47 HB3 ALA 47 1.849 -2.865 7.882 363 H ARG 48 H ARG 48 1.462 0.926 8.899 364 HA ARG 48 HA ARG 48 4.005 0.634 10.054 365 HB2 ARG 48 HB2 ARG 48 4.124 3.024 10.183 366 HB3 ARG 48 HB3 ARG 48 3.264 2.605 8.710 367 HG2 ARG 48 HG2 ARG 48 1.166 3.280 9.653 368 HG3 ARG 48 HG3 ARG 48 1.853 3.415 11.265 369 HD2 ARG 48 HD2 ARG 48 3.306 5.290 10.396 370 HD3 ARG 48 HD3 ARG 48 2.385 5.218 8.891 371 HE ARG 48 HE ARG 48 0.415 5.867 10.104 372 HH11 ARG 48 HH11 ARG 48 3.323 6.187 11.981 373 HH12 ARG 48 HH12 ARG 48 2.615 7.338 13.055 374 HH21 ARG 48 HH21 ARG 48 -0.454 7.326 11.497 375 HH22 ARG 48 HH22 ARG 48 0.498 7.974 12.784 376 H GLU 49 H GLU 49 0.908 1.411 11.645 377 HA GLU 49 HA GLU 49 2.150 1.509 14.322 378 HB2 GLU 49 HB2 GLU 49 -0.704 2.109 13.427 379 HB3 GLU 49 HB3 GLU 49 -0.109 2.274 15.079 380 HG2 GLU 49 HG2 GLU 49 1.487 4.010 14.314 381 HG3 GLU 49 HG3 GLU 49 0.845 3.864 12.678 382 H ASN 50 H ASN 50 1.417 -0.905 12.446 383 HA ASN 50 HA ASN 50 0.881 -3.086 12.616 384 HB2 ASN 50 HB2 ASN 50 1.000 -2.674 15.642 385 HB3 ASN 50 HB3 ASN 50 1.136 -4.210 14.791 386 HD21 ASN 50 HD21 ASN 50 2.783 -1.268 15.667 387 HD22 ASN 50 HD22 ASN 50 4.361 -1.764 15.169 388 H LYS 51 H LYS 51 -1.277 -1.270 12.275 389 HA LYS 51 HA LYS 51 -3.531 -2.045 13.929 390 HB2 LYS 51 HB2 LYS 51 -3.397 -0.430 11.351 391 HB3 LYS 51 HB3 LYS 51 -4.855 -0.642 12.315 392 HG2 LYS 51 HG2 LYS 51 -2.313 0.696 13.322 393 HG3 LYS 51 HG3 LYS 51 -3.705 1.561 12.661 394 HD2 LYS 51 HD2 LYS 51 -3.773 -0.242 15.121 395 HD3 LYS 51 HD3 LYS 51 -3.695 1.521 15.161 396 HE2 LYS 51 HE2 LYS 51 -5.894 1.687 14.098 397 HE3 LYS 51 HE3 LYS 51 -5.961 -0.064 13.884 398 HZ1 LYS 51 HZ1 LYS 51 -5.853 1.323 16.493 399 HZ2 LYS 51 HZ2 LYS 51 -6.023 -0.342 16.248 400 HZ3 LYS 51 HZ3 LYS 51 -7.249 0.717 15.770 401 H VAL 52 H VAL 52 -2.048 -3.339 11.092 402 HA VAL 52 HA VAL 52 -4.294 -5.217 10.687 403 HB VAL 52 HB VAL 52 -3.920 -5.207 8.212 404 HG11 VAL 52 HG11 VAL 52 -5.767 -3.881 9.148 405 HG12 VAL 52 HG12 VAL 52 -5.099 -3.098 7.714 406 HG13 VAL 52 HG13 VAL 52 -4.698 -2.485 9.323 407 HG21 VAL 52 HG21 VAL 52 -2.157 -2.767 8.704 408 HG22 VAL 52 HG22 VAL 52 -2.662 -3.370 7.123 409 HG23 VAL 52 HG23 VAL 52 -1.601 -4.346 8.140 410 H VAL 53 H VAL 53 -3.726 -7.289 9.950 411 HA VAL 53 HA VAL 53 -0.841 -8.018 9.997 412 HB VAL 53 HB VAL 53 -3.182 -9.796 10.839 413 HG11 VAL 53 HG11 VAL 53 -0.178 -10.288 11.023 414 HG12 VAL 53 HG12 VAL 53 -1.299 -11.099 9.926 415 HG13 VAL 53 HG13 VAL 53 -1.429 -11.356 11.667 416 HG21 VAL 53 HG21 VAL 53 -2.364 -9.555 13.173 417 HG22 VAL 53 HG22 VAL 53 -2.872 -8.000 12.506 418 HG23 VAL 53 HG23 VAL 53 -1.154 -8.387 12.631 419 H ILE 54 H ILE 54 -0.127 -8.786 8.090 420 HA ILE 54 HA ILE 54 -2.017 -9.447 5.918 421 HB ILE 54 HB ILE 54 0.933 -8.656 5.855 422 HG12 ILE 54 HG12 ILE 54 -0.067 -6.691 4.450 423 HG13 ILE 54 HG13 ILE 54 -1.615 -7.173 5.114 424 HG21 ILE 54 HG21 ILE 54 0.582 -10.264 4.052 425 HG22 ILE 54 HG22 ILE 54 0.787 -8.648 3.375 426 HG23 ILE 54 HG23 ILE 54 -0.825 -9.361 3.480 427 HD11 ILE 54 HD11 ILE 54 -0.784 -6.694 7.361 428 HD12 ILE 54 HD12 ILE 54 -0.667 -5.293 6.298 429 HD13 ILE 54 HD13 ILE 54 0.779 -6.227 6.686 430 H GLU 55 H GLU 55 -2.097 -11.464 4.999 431 HA GLU 55 HA GLU 55 0.056 -13.435 5.487 432 HB2 GLU 55 HB2 GLU 55 -2.936 -13.942 5.814 433 HB3 GLU 55 HB3 GLU 55 -1.718 -15.216 5.783 434 HG2 GLU 55 HG2 GLU 55 -0.667 -14.257 7.809 435 HG3 GLU 55 HG3 GLU 55 -1.890 -12.988 7.843 436 H ARG 56 H ARG 56 0.863 -13.984 3.544 437 HA ARG 56 HA ARG 56 -0.665 -13.942 1.072 438 HB2 ARG 56 HB2 ARG 56 2.211 -14.575 1.777 439 HB3 ARG 56 HB3 ARG 56 1.587 -15.056 0.204 440 HG2 ARG 56 HG2 ARG 56 1.026 -12.681 -0.292 441 HG3 ARG 56 HG3 ARG 56 1.711 -12.208 1.270 442 HD2 ARG 56 HD2 ARG 56 3.922 -12.888 0.611 443 HD3 ARG 56 HD3 ARG 56 3.307 -13.724 -0.823 444 HE ARG 56 HE ARG 56 2.791 -10.879 -0.803 445 HH11 ARG 56 HH11 ARG 56 5.072 -13.316 -1.711 446 HH12 ARG 56 HH12 ARG 56 5.797 -12.325 -2.927 447 HH21 ARG 56 HH21 ARG 56 3.747 -9.648 -2.369 448 HH22 ARG 56 HH22 ARG 56 5.063 -10.283 -3.289 449 H LYS 57 H LYS 57 -2.038 -15.521 0.612 450 HA LYS 57 HA LYS 57 -1.402 -18.355 1.248 451 HB2 LYS 57 HB2 LYS 57 -4.061 -16.908 1.635 452 HB3 LYS 57 HB3 LYS 57 -3.876 -18.657 1.744 453 HG2 LYS 57 HG2 LYS 57 -2.482 -18.479 3.699 454 HG3 LYS 57 HG3 LYS 57 -2.326 -16.730 3.503 455 HD2 LYS 57 HD2 LYS 57 -4.680 -16.408 4.052 456 HD3 LYS 57 HD3 LYS 57 -4.940 -18.156 4.135 457 HE2 LYS 57 HE2 LYS 57 -3.486 -18.323 6.075 458 HE3 LYS 57 HE3 LYS 57 -3.033 -16.624 5.934 459 HZ1 LYS 57 HZ1 LYS 57 -4.635 -16.878 7.643 460 HZ2 LYS 57 HZ2 LYS 57 -5.704 -17.696 6.619 461 HZ3 LYS 57 HZ3 LYS 57 -5.365 -16.060 6.361 462 H ASN 58 H ASN 58 -1.666 -19.747 -0.384 463 HA ASN 58 HA ASN 58 -1.557 -20.424 -2.526 464 HB2 ASN 58 HB2 ASN 58 -3.737 -20.801 -3.599 465 HB3 ASN 58 HB3 ASN 58 -3.768 -21.190 -1.897 466 HD21 ASN 58 HD21 ASN 58 -5.037 -19.927 -0.513 467 HD22 ASN 58 HD22 ASN 58 -6.223 -18.824 -1.097 468 H GLY 59 H GLY 59 -0.390 -18.017 -2.490 469 HA2 GLY 59 HA2 GLY 59 0.616 -16.698 -4.135 470 HA3 GLY 59 HA3 GLY 59 -0.690 -17.071 -5.242 471 H LEU 60 H LEU 60 -2.713 -16.229 -3.157 472 HA LEU 60 HA LEU 60 -2.877 -13.423 -3.829 473 HB2 LEU 60 HB2 LEU 60 -4.675 -15.283 -2.229 474 HB3 LEU 60 HB3 LEU 60 -4.980 -13.557 -2.299 475 HG LEU 60 HG LEU 60 -5.215 -13.739 -4.801 476 HD11 LEU 60 HD11 LEU 60 -5.571 -15.918 -5.848 477 HD12 LEU 60 HD12 LEU 60 -5.130 -16.732 -4.345 478 HD13 LEU 60 HD13 LEU 60 -3.930 -15.775 -5.217 479 HD21 LEU 60 HD21 LEU 60 -7.178 -13.674 -3.342 480 HD22 LEU 60 HD22 LEU 60 -7.136 -15.432 -3.176 481 HD23 LEU 60 HD23 LEU 60 -7.472 -14.699 -4.747 482 H ILE 61 H ILE 61 -3.231 -11.750 -2.250 483 HA ILE 61 HA ILE 61 -1.851 -12.148 0.341 484 HB ILE 61 HB ILE 61 -0.370 -10.859 -1.030 485 HG12 ILE 61 HG12 ILE 61 -1.806 -8.879 0.788 486 HG13 ILE 61 HG13 ILE 61 -0.657 -10.092 1.335 487 HG21 ILE 61 HG21 ILE 61 -0.957 -8.778 -2.208 488 HG22 ILE 61 HG22 ILE 61 -2.640 -8.968 -1.707 489 HG23 ILE 61 HG23 ILE 61 -1.909 -10.149 -2.794 490 HD11 ILE 61 HD11 ILE 61 0.383 -7.919 1.192 491 HD12 ILE 61 HD12 ILE 61 -0.058 -7.786 -0.511 492 HD13 ILE 61 HD13 ILE 61 1.097 -9.015 0.011 493 H GLU 62 H GLU 62 -3.136 -11.857 2.022 494 HA GLU 62 HA GLU 62 -5.720 -10.400 1.765 495 HB2 GLU 62 HB2 GLU 62 -5.037 -12.824 3.500 496 HB3 GLU 62 HB3 GLU 62 -6.591 -11.990 3.487 497 HG2 GLU 62 HG2 GLU 62 -7.003 -12.696 1.195 498 HG3 GLU 62 HG3 GLU 62 -5.394 -13.415 1.085 499 H ILE 63 H ILE 63 -6.251 -8.943 3.420 500 HA ILE 63 HA ILE 63 -4.291 -8.627 5.637 501 HB ILE 63 HB ILE 63 -4.833 -6.263 5.782 502 HG12 ILE 63 HG12 ILE 63 -6.599 -6.548 3.304 503 HG13 ILE 63 HG13 ILE 63 -7.238 -6.461 4.941 504 HG21 ILE 63 HG21 ILE 63 -3.806 -5.475 3.678 505 HG22 ILE 63 HG22 ILE 63 -4.133 -7.035 2.921 506 HG23 ILE 63 HG23 ILE 63 -3.004 -6.929 4.272 507 HD11 ILE 63 HD11 ILE 63 -7.392 -4.325 3.896 508 HD12 ILE 63 HD12 ILE 63 -5.674 -4.329 3.509 509 HD13 ILE 63 HD13 ILE 63 -6.201 -4.237 5.193 510 H TYR 64 H TYR 64 -4.998 -8.420 7.674 511 HA TYR 64 HA TYR 64 -7.861 -8.949 8.309 512 HB2 TYR 64 HB2 TYR 64 -5.408 -10.133 9.721 513 HB3 TYR 64 HB3 TYR 64 -7.088 -10.449 10.138 514 HD1 TYR 64 HD1 TYR 64 -4.502 -11.003 7.491 515 HD2 TYR 64 HD2 TYR 64 -8.332 -12.189 8.977 516 HE1 TYR 64 HE1 TYR 64 -4.511 -12.900 5.939 517 HE2 TYR 64 HE2 TYR 64 -8.336 -14.095 7.419 518 HH TYR 64 HH TYR 64 -7.203 -14.605 5.117 519 H ASN 65 H ASN 65 -8.397 -8.360 10.667 520 HA ASN 65 HA ASN 65 -7.370 -5.747 11.384 521 HB2 ASN 65 HB2 ASN 65 -9.225 -7.593 12.967 522 HB3 ASN 65 HB3 ASN 65 -8.892 -5.910 13.365 523 HD21 ASN 65 HD21 ASN 65 -11.025 -5.243 13.173 524 HD22 ASN 65 HD22 ASN 65 -11.856 -5.205 11.664 525 H GLU 66 H GLU 66 -6.089 -5.199 13.237 526 HA GLU 66 HA GLU 66 -4.509 -7.273 14.481 527 HB2 GLU 66 HB2 GLU 66 -3.652 -4.955 14.090 528 HB3 GLU 66 HB3 GLU 66 -4.766 -4.344 15.302 529 HG2 GLU 66 HG2 GLU 66 -2.501 -4.549 16.206 530 HG3 GLU 66 HG3 GLU 66 -3.615 -5.627 17.040 531 H GLY 67 H GLY 67 -4.430 -7.400 16.941 532 HA2 GLY 67 HA2 GLY 67 -5.971 -7.500 18.940 533 HA3 GLY 67 HA3 GLY 67 -7.171 -8.133 17.808 534 H HIS 68 H HIS 68 -4.726 -9.363 16.382 535 HA HIS 68 HA HIS 68 -4.841 -11.995 17.504 536 HB2 HIS 68 HB2 HIS 68 -4.549 -11.293 15.017 537 HB3 HIS 68 HB3 HIS 68 -2.854 -11.018 15.401 538 HD1 HIS 68 HD1 HIS 68 -5.224 -13.602 14.446 539 HD2 HIS 68 HD2 HIS 68 -1.482 -13.501 16.232 540 HE1 HIS 68 HE1 HIS 68 -4.356 -15.944 14.296 541 HE2 HIS 68 HE2 HIS 68 -2.062 -15.849 15.318 542 H PHE 69 H PHE 69 -2.509 -9.355 17.513 543 HA PHE 69 HA PHE 69 -0.762 -10.699 19.485 544 HB2 PHE 69 HB2 PHE 69 -0.366 -8.097 17.927 545 HB3 PHE 69 HB3 PHE 69 0.813 -8.819 19.019 546 HD1 PHE 69 HD2 PHE 69 1.949 -10.981 18.383 547 HD2 PHE 69 HD1 PHE 69 -0.589 -8.902 15.634 548 HE1 PHE 69 HE2 PHE 69 2.892 -12.278 16.517 549 HE2 PHE 69 HE1 PHE 69 0.356 -10.208 13.778 550 HZ PHE 69 HZ PHE 69 2.095 -11.896 14.215 551 H ASP 70 H ASP 70 -3.541 -9.482 19.866 552 HA ASP 70 HA ASP 70 -4.750 -8.673 21.556 553 HB2 ASP 70 HB2 ASP 70 -2.126 -8.246 23.019 554 HB3 ASP 70 HB3 ASP 70 -3.716 -8.057 23.756 555 H PHE 71 H PHE 71 -1.919 -6.482 21.143 556 HA PHE 71 HA PHE 71 -3.353 -4.144 21.958 557 HB2 PHE 71 HB2 PHE 71 -0.663 -4.416 20.543 558 HB3 PHE 71 HB3 PHE 71 -1.286 -2.920 21.230 559 HD1 PHE 71 HD2 PHE 71 0.100 -6.262 22.039 560 HD2 PHE 71 HD1 PHE 71 -1.299 -2.553 23.660 561 HE1 PHE 71 HE2 PHE 71 1.071 -6.840 24.221 562 HE2 PHE 71 HE1 PHE 71 -0.319 -3.145 25.837 563 HZ PHE 71 HZ PHE 71 0.861 -5.288 26.121 564 H SER 72 H SER 72 -5.199 -4.058 20.599 565 HA SER 72 HA SER 72 -4.831 -3.411 17.729 566 HB2 SER 72 HB2 SER 72 -7.266 -3.777 17.536 567 HB3 SER 72 HB3 SER 72 -6.504 -5.162 18.315 568 HG SER 72 HG SER 72 -7.662 -4.807 20.026 569 H PHE 73 H PHE 73 -4.341 -1.603 20.166 570 HA PHE 73 HA PHE 73 -6.394 0.370 20.324 571 HB2 PHE 73 HB2 PHE 73 -3.479 0.579 21.192 572 HB3 PHE 73 HB3 PHE 73 -4.787 1.639 21.708 573 HD1 PHE 73 HD1 PHE 73 -6.721 0.611 23.068 574 HD2 PHE 73 HD2 PHE 73 -3.026 -1.443 22.391 575 HE1 PHE 73 HE1 PHE 73 -7.193 -0.881 24.961 576 HE2 PHE 73 HE2 PHE 73 -3.511 -2.929 24.288 577 HZ PHE 73 HZ PHE 73 -5.595 -2.653 25.572 578 H GLY 74 H GLY 74 -5.758 2.800 20.030 579 HA2 GLY 74 HA2 GLY 74 -4.966 4.517 18.601 580 HA3 GLY 74 HA3 GLY 74 -4.453 3.315 17.428 581 H LEU 75 H LEU 75 -7.293 4.905 18.824 582 HA LEU 75 HA LEU 75 -9.149 3.690 16.944 583 HB2 LEU 75 HB2 LEU 75 -9.628 5.706 19.179 584 HB3 LEU 75 HB3 LEU 75 -10.886 4.916 18.251 585 HG LEU 75 HG LEU 75 -10.856 3.800 20.336 586 HD11 LEU 75 HD11 LEU 75 -10.248 1.501 19.858 587 HD12 LEU 75 HD12 LEU 75 -9.269 2.018 18.484 588 HD13 LEU 75 HD13 LEU 75 -11.019 2.255 18.464 589 HD21 LEU 75 HD21 LEU 75 -8.889 2.891 21.470 590 HD22 LEU 75 HD22 LEU 75 -8.730 4.627 21.221 591 HD23 LEU 75 HD23 LEU 75 -7.839 3.506 20.187 592 H GLU 76 H GLU 76 -10.740 5.052 15.812 593 HA GLU 76 HA GLU 76 -9.599 7.528 14.669 594 HB2 GLU 76 HB2 GLU 76 -11.297 7.322 12.904 595 HB3 GLU 76 HB3 GLU 76 -10.352 5.843 13.034 596 HG2 GLU 76 HG2 GLU 76 -12.201 4.731 14.195 597 HG3 GLU 76 HG3 GLU 76 -13.137 6.227 14.185 598 H HIS 77 H HIS 77 -10.843 9.473 14.571 599 HA HIS 77 HA HIS 77 -12.523 9.850 16.974 600 HB2 HIS 77 HB2 HIS 77 -10.994 11.875 15.290 601 HB3 HIS 77 HB3 HIS 77 -11.916 12.262 16.741 602 HD1 HIS 77 HD1 HIS 77 -10.887 11.586 19.027 603 HD2 HIS 77 HD2 HIS 77 -8.491 10.638 15.759 604 HE1 HIS 77 HE1 HIS 77 -8.650 10.968 19.987 605 HE2 HIS 77 HE2 HIS 77 -7.267 10.259 18.008 606 H HIS 78 H HIS 78 -12.526 10.784 13.499 607 HA HIS 78 HA HIS 78 -15.399 10.915 13.361 608 HB2 HIS 78 HB2 HIS 78 -15.459 13.409 12.750 609 HB3 HIS 78 HB3 HIS 78 -15.216 13.028 14.448 610 HD1 HIS 78 HD1 HIS 78 -14.256 15.451 14.701 611 HD2 HIS 78 HD2 HIS 78 -11.958 12.966 12.285 612 HE1 HIS 78 HE1 HIS 78 -12.039 16.607 14.467 613 HE2 HIS 78 HE2 HIS 78 -10.614 14.984 13.182 614 H HIS 79 H HIS 79 -16.235 11.590 11.251 615 HA HIS 79 HA HIS 79 -14.888 10.622 8.978 616 HB2 HIS 79 HB2 HIS 79 -16.730 11.764 7.671 617 HB3 HIS 79 HB3 HIS 79 -17.302 10.723 8.968 618 HD1 HIS 79 HD1 HIS 79 -18.509 11.849 10.958 619 HD2 HIS 79 HD2 HIS 79 -17.284 14.522 8.020 620 HE1 HIS 79 HE1 HIS 79 -19.666 14.003 11.492 621 HE2 HIS 79 HE2 HIS 79 -19.083 15.532 9.588 622 H HIS 80 H HIS 80 -13.978 11.739 7.140 623 HA HIS 80 HA HIS 80 -12.346 14.031 8.057 624 HB2 HIS 80 HB2 HIS 80 -10.693 13.282 6.395 625 HB3 HIS 80 HB3 HIS 80 -11.133 11.978 7.484 626 HD1 HIS 80 HD1 HIS 80 -11.883 9.827 6.427 627 HD2 HIS 80 HD2 HIS 80 -11.827 12.971 3.705 628 HE1 HIS 80 HE1 HIS 80 -12.261 8.781 4.179 629 HE2 HIS 80 HE2 HIS 80 -12.415 10.720 2.586 630 H HIS 81 H HIS 81 -11.589 15.605 6.522 631 HA HIS 81 HA HIS 81 -13.339 16.222 4.198 632 HB2 HIS 81 HB2 HIS 81 -13.273 17.934 6.049 633 HB3 HIS 81 HB3 HIS 81 -11.536 18.083 5.831 634 HD1 HIS 81 HD1 HIS 81 -14.793 18.825 4.041 635 HD2 HIS 81 HD2 HIS 81 -10.790 19.915 3.895 636 HE1 HIS 81 HE1 HIS 81 -14.678 20.725 2.417 637 HE2 HIS 81 HE2 HIS 81 -12.304 21.534 2.568 638 H HIS 82 H HIS 82 -12.135 17.101 2.245 639 HA HIS 82 HA HIS 82 -9.917 15.473 1.543 640 HB2 HIS 82 HB2 HIS 82 -9.824 16.731 -0.585 641 HB3 HIS 82 HB3 HIS 82 -11.458 16.243 -0.189 642 HD1 HIS 82 HD1 HIS 82 -13.169 17.999 -0.452 643 HD2 HIS 82 HD2 HIS 82 -9.387 19.644 0.006 644 HE1 HIS 82 HE1 HIS 82 -13.464 20.452 -0.820 645 HE2 HIS 82 HE2 HIS 82 -11.154 21.423 -0.634 646 H1 MET 1 H MET 1 6.177 -12.192 12.060 647 HA MET 1 HA MET 1 6.844 -12.844 9.981 648 HB2 MET 1 HB2 MET 1 4.947 -14.361 10.337 649 HB3 MET 1 HB3 MET 1 3.831 -13.161 9.705 650 HG2 MET 1 HG2 MET 1 5.052 -13.344 7.484 651 HG3 MET 1 HG3 MET 1 5.929 -14.713 8.169 652 HE1 MET 1 HE1 MET 1 1.352 -14.661 7.445 653 HE2 MET 1 HE2 MET 1 2.425 -13.314 7.061 654 HE3 MET 1 HE3 MET 1 2.096 -13.729 8.744 655 H ASP 2 H ASP 2 3.849 -10.982 9.401 656 HA ASP 2 HA ASP 2 4.515 -10.223 6.751 657 HB2 ASP 2 HB2 ASP 2 2.470 -8.887 6.857 658 HB3 ASP 2 HB3 ASP 2 2.222 -10.478 7.557 659 H LYS 3 H LYS 3 4.822 -8.515 9.827 660 HA LYS 3 HA LYS 3 5.559 -5.975 8.882 661 HB2 LYS 3 HB2 LYS 3 5.466 -7.336 11.452 662 HB3 LYS 3 HB3 LYS 3 6.979 -6.460 11.348 663 HG2 LYS 3 HG2 LYS 3 5.237 -5.136 12.449 664 HG3 LYS 3 HG3 LYS 3 5.805 -4.364 10.969 665 HD2 LYS 3 HD2 LYS 3 3.383 -4.125 11.168 666 HD3 LYS 3 HD3 LYS 3 3.766 -5.150 9.784 667 HE2 LYS 3 HE2 LYS 3 1.850 -6.042 11.027 668 HE3 LYS 3 HE3 LYS 3 3.207 -7.157 11.122 669 HZ1 LYS 3 HZ1 LYS 3 2.021 -6.862 13.230 670 HZ2 LYS 3 HZ2 LYS 3 2.463 -5.231 13.249 671 HZ3 LYS 3 HZ3 LYS 3 3.651 -6.427 13.338 672 H LYS 4 H LYS 4 7.436 -8.931 9.175 673 HA LYS 4 HA LYS 4 10.007 -7.782 8.583 674 HB2 LYS 4 HB2 LYS 4 8.927 -10.517 9.052 675 HB3 LYS 4 HB3 LYS 4 10.261 -10.478 7.915 676 HG2 LYS 4 HG2 LYS 4 10.998 -10.927 10.225 677 HG3 LYS 4 HG3 LYS 4 11.723 -9.464 9.554 678 HD2 LYS 4 HD2 LYS 4 10.049 -8.098 10.829 679 HD3 LYS 4 HD3 LYS 4 9.420 -9.584 11.555 680 HE2 LYS 4 HE2 LYS 4 11.610 -10.018 12.587 681 HE3 LYS 4 HE3 LYS 4 12.279 -8.582 11.807 682 HZ1 LYS 4 HZ1 LYS 4 11.729 -8.117 14.071 683 HZ2 LYS 4 HZ2 LYS 4 10.139 -8.639 13.848 684 HZ3 LYS 4 HZ3 LYS 4 10.687 -7.249 13.067 685 H ILE 5 H ILE 5 7.513 -9.446 6.592 686 HA ILE 5 HA ILE 5 8.923 -9.395 4.127 687 HB ILE 5 HB ILE 5 5.948 -9.584 4.733 688 HG12 ILE 5 HG12 ILE 5 6.224 -11.843 3.551 689 HG13 ILE 5 HG13 ILE 5 7.951 -11.531 3.485 690 HG21 ILE 5 HG21 ILE 5 7.113 -9.418 1.926 691 HG22 ILE 5 HG22 ILE 5 5.976 -8.292 2.670 692 HG23 ILE 5 HG23 ILE 5 5.464 -9.937 2.302 693 HD11 ILE 5 HD11 ILE 5 7.389 -13.047 5.264 694 HD12 ILE 5 HD12 ILE 5 6.284 -11.868 5.971 695 HD13 ILE 5 HD13 ILE 5 8.021 -11.541 5.933 696 H VAL 6 H VAL 6 6.566 -7.018 5.458 697 HA VAL 6 HA VAL 6 6.629 -5.298 3.185 698 HB VAL 6 HB VAL 6 5.400 -3.645 4.538 699 HG11 VAL 6 HG11 VAL 6 4.140 -5.496 3.531 700 HG12 VAL 6 HG12 VAL 6 3.412 -5.018 5.065 701 HG13 VAL 6 HG13 VAL 6 4.393 -6.484 4.976 702 HG21 VAL 6 HG21 VAL 6 6.578 -3.865 6.695 703 HG22 VAL 6 HG22 VAL 6 5.907 -5.481 6.920 704 HG23 VAL 6 HG23 VAL 6 4.839 -4.076 6.928 705 H GLY 7 H GLY 7 8.557 -5.409 6.153 706 HA2 GLY 7 HA2 GLY 7 9.952 -2.933 5.793 707 HA3 GLY 7 HA3 GLY 7 10.454 -4.281 6.798 708 H ALA 8 H ALA 8 10.718 -6.305 4.947 709 HA ALA 8 HA ALA 8 13.318 -5.939 3.912 710 HB1 ALA 8 HB1 ALA 8 13.028 -8.182 2.926 711 HB2 ALA 8 HB2 ALA 8 11.287 -8.100 3.229 712 HB3 ALA 8 HB3 ALA 8 12.420 -8.133 4.584 713 H ASN 9 H ASN 9 10.210 -6.262 2.172 714 HA ASN 9 HA ASN 9 11.318 -5.680 -0.418 715 HB2 ASN 9 HB2 ASN 9 8.435 -5.936 0.516 716 HB3 ASN 9 HB3 ASN 9 8.907 -5.697 -1.165 717 HD21 ASN 9 HD21 ASN 9 8.598 -7.989 1.379 718 HD22 ASN 9 HD22 ASN 9 9.111 -9.366 0.486 719 H ALA 10 H ALA 10 10.233 -3.633 2.169 720 HA ALA 10 HA ALA 10 9.571 -1.304 0.636 721 HB1 ALA 10 HB1 ALA 10 9.963 -0.051 2.741 722 HB2 ALA 10 HB2 ALA 10 10.635 -1.511 3.476 723 HB3 ALA 10 HB3 ALA 10 8.938 -1.467 2.993 724 H GLY 11 H GLY 11 12.576 -2.777 1.710 725 HA2 GLY 11 HA2 GLY 11 14.397 -0.700 1.056 726 HA3 GLY 11 HA3 GLY 11 14.770 -2.410 1.159 727 H LYS 12 H LYS 12 13.096 -3.406 -0.836 728 HA LYS 12 HA LYS 12 14.647 -2.970 -3.185 729 HB2 LYS 12 HB2 LYS 12 13.614 -5.156 -2.599 730 HB3 LYS 12 HB3 LYS 12 12.013 -4.470 -2.867 731 HG2 LYS 12 HG2 LYS 12 12.602 -4.084 -5.255 732 HG3 LYS 12 HG3 LYS 12 14.181 -4.821 -4.975 733 HD2 LYS 12 HD2 LYS 12 11.501 -6.231 -4.629 734 HD3 LYS 12 HD3 LYS 12 12.538 -6.369 -6.050 735 HE2 LYS 12 HE2 LYS 12 14.303 -7.401 -4.677 736 HE3 LYS 12 HE3 LYS 12 13.303 -7.217 -3.234 737 HZ1 LYS 12 HZ1 LYS 12 11.682 -8.687 -4.203 738 HZ2 LYS 12 HZ2 LYS 12 13.190 -9.443 -4.141 739 HZ3 LYS 12 HZ3 LYS 12 12.606 -8.845 -5.607 740 H VAL 13 H VAL 13 11.238 -2.105 -2.363 741 HA VAL 13 HA VAL 13 10.674 -0.866 -4.871 742 HB VAL 13 HB VAL 13 8.611 0.028 -3.899 743 HG11 VAL 13 HG11 VAL 13 8.589 -2.338 -4.558 744 HG12 VAL 13 HG12 VAL 13 7.539 -2.077 -3.165 745 HG13 VAL 13 HG13 VAL 13 9.128 -2.813 -2.943 746 HG21 VAL 13 HG21 VAL 13 9.426 0.779 -1.708 747 HG22 VAL 13 HG22 VAL 13 9.660 -0.891 -1.196 748 HG23 VAL 13 HG23 VAL 13 8.031 -0.286 -1.500 749 H TRP 14 H TRP 14 11.994 0.397 -1.850 750 HA TRP 14 HA TRP 14 11.917 3.168 -2.538 751 HB2 TRP 14 HB2 TRP 14 12.333 2.260 -0.186 752 HB3 TRP 14 HB3 TRP 14 13.979 1.888 -0.685 753 HD1 TRP 14 HD1 TRP 14 11.663 4.906 -0.023 754 HE1 TRP 14 HE1 TRP 14 13.106 6.996 0.317 755 HE3 TRP 14 HE3 TRP 14 16.234 2.944 -1.151 756 HZ2 TRP 14 HZ2 TRP 14 15.806 7.746 0.148 757 HZ3 TRP 14 HZ3 TRP 14 18.217 4.416 -1.038 758 HH2 TRP 14 HH2 TRP 14 18.003 6.773 -0.401 759 H HIS 15 H HIS 15 14.366 0.631 -3.022 760 HA HIS 15 HA HIS 15 16.403 2.339 -4.079 761 HB2 HIS 15 HB2 HIS 15 16.812 0.061 -3.069 762 HB3 HIS 15 HB3 HIS 15 16.109 -0.666 -4.511 763 HD1 HIS 15 HD1 HIS 15 19.111 1.297 -3.358 764 HD2 HIS 15 HD2 HIS 15 17.840 -0.788 -6.719 765 HE1 HIS 15 HE1 HIS 15 21.122 1.130 -4.840 766 HE2 HIS 15 HE2 HIS 15 20.317 -0.060 -6.902 767 H ALA 16 H ALA 16 13.891 0.322 -5.609 768 HA ALA 16 HA ALA 16 14.593 0.831 -8.326 769 HB1 ALA 16 HB1 ALA 16 12.365 -0.057 -8.871 770 HB2 ALA 16 HB2 ALA 16 11.895 0.056 -7.170 771 HB3 ALA 16 HB3 ALA 16 13.170 -1.060 -7.661 772 H LEU 17 H LEU 17 12.488 2.476 -6.027 773 HA LEU 17 HA LEU 17 11.561 4.573 -7.707 774 HB2 LEU 17 HB2 LEU 17 10.413 4.086 -5.661 775 HB3 LEU 17 HB3 LEU 17 11.860 4.239 -4.702 776 HG LEU 17 HG LEU 17 9.991 6.058 -4.535 777 HD11 LEU 17 HD11 LEU 17 12.121 6.232 -3.376 778 HD12 LEU 17 HD12 LEU 17 11.574 7.803 -3.954 779 HD13 LEU 17 HD13 LEU 17 12.868 6.953 -4.806 780 HD21 LEU 17 HD21 LEU 17 10.150 7.949 -6.059 781 HD22 LEU 17 HD22 LEU 17 9.731 6.484 -6.939 782 HD23 LEU 17 HD23 LEU 17 11.376 7.118 -7.019 783 H ASN 18 H ASN 18 14.470 4.246 -5.665 784 HA ASN 18 HA ASN 18 15.370 6.922 -5.783 785 HB2 ASN 18 HB2 ASN 18 16.095 5.245 -4.077 786 HB3 ASN 18 HB3 ASN 18 16.992 4.375 -5.313 787 HD21 ASN 18 HD21 ASN 18 16.898 7.257 -3.324 788 HD22 ASN 18 HD22 ASN 18 18.532 7.734 -3.611 789 H GLU 19 H GLU 19 15.996 4.132 -7.895 790 HA GLU 19 HA GLU 19 17.930 5.536 -9.576 791 HB2 GLU 19 HB2 GLU 19 17.974 3.421 -10.887 792 HB3 GLU 19 HB3 GLU 19 18.231 3.136 -9.166 793 HG2 GLU 19 HG2 GLU 19 15.856 2.457 -8.933 794 HG3 GLU 19 HG3 GLU 19 15.626 2.692 -10.664 795 H ALA 20 H ALA 20 14.469 4.806 -9.622 796 HA ALA 20 HA ALA 20 14.158 6.314 -12.158 797 HB1 ALA 20 HB1 ALA 20 12.750 3.688 -11.542 798 HB2 ALA 20 HB2 ALA 20 14.046 3.916 -12.717 799 HB3 ALA 20 HB3 ALA 20 12.483 4.698 -12.969 800 H ASP 21 H ASP 21 13.060 8.047 -11.641 801 HA ASP 21 HA ASP 21 11.462 8.335 -9.233 802 HB2 ASP 21 HB2 ASP 21 11.403 10.728 -9.893 803 HB3 ASP 21 HB3 ASP 21 13.042 10.088 -9.971 804 H GLY 22 H GLY 22 9.308 9.604 -9.364 805 HA2 GLY 22 HA2 GLY 22 7.175 10.036 -10.107 806 HA3 GLY 22 HA3 GLY 22 7.975 10.393 -11.628 807 H ILE 23 H ILE 23 7.460 7.304 -9.943 808 HA ILE 23 HA ILE 23 6.421 6.176 -12.488 809 HB ILE 23 HB ILE 23 8.721 5.451 -11.900 810 HG12 ILE 23 HG12 ILE 23 8.278 2.887 -11.907 811 HG13 ILE 23 HG13 ILE 23 6.569 3.308 -11.882 812 HG21 ILE 23 HG21 ILE 23 7.564 4.229 -9.380 813 HG22 ILE 23 HG22 ILE 23 8.660 5.609 -9.467 814 HG23 ILE 23 HG23 ILE 23 9.217 4.011 -9.969 815 HD11 ILE 23 HD11 ILE 23 7.359 2.824 -14.118 816 HD12 ILE 23 HD12 ILE 23 8.555 4.116 -14.002 817 HD13 ILE 23 HD13 ILE 23 6.831 4.501 -13.991 818 H SER 24 H SER 24 4.389 5.228 -12.417 819 HA SER 24 HA SER 24 2.793 5.390 -10.042 820 HB2 SER 24 HB2 SER 24 0.991 4.349 -11.378 821 HB3 SER 24 HB3 SER 24 1.787 5.634 -12.287 822 HG SER 24 HG SER 24 1.377 3.590 -13.415 823 H ILE 25 H ILE 25 1.560 3.501 -9.092 824 HA ILE 25 HA ILE 25 3.480 1.827 -7.880 825 HB ILE 25 HB ILE 25 0.448 1.724 -7.747 826 HG12 ILE 25 HG12 ILE 25 2.540 2.872 -5.837 827 HG13 ILE 25 HG13 ILE 25 1.471 3.806 -6.877 828 HG21 ILE 25 HG21 ILE 25 2.410 0.192 -5.997 829 HG22 ILE 25 HG22 ILE 25 1.284 -0.509 -7.163 830 HG23 ILE 25 HG23 ILE 25 0.668 0.310 -5.731 831 HD11 ILE 25 HD11 ILE 25 0.624 2.097 -4.537 832 HD12 ILE 25 HD12 ILE 25 -0.457 3.014 -5.586 833 HD13 ILE 25 HD13 ILE 25 0.718 3.856 -4.581 834 HA PRO 26 HA PRO 26 1.824 -2.015 -10.469 835 HB2 PRO 26 HB2 PRO 26 0.742 -1.495 -12.960 836 HB3 PRO 26 HB3 PRO 26 -0.235 -1.704 -11.499 837 HG2 PRO 26 HG2 PRO 26 0.699 0.861 -12.795 838 HG3 PRO 26 HG3 PRO 26 -0.920 0.440 -12.192 839 HD2 PRO 26 HD2 PRO 26 0.753 1.956 -10.717 840 HD3 PRO 26 HD3 PRO 26 -0.311 0.759 -9.945 841 H GLU 27 H GLU 27 3.133 0.858 -12.004 842 HA GLU 27 HA GLU 27 4.850 -0.503 -13.912 843 HB2 GLU 27 HB2 GLU 27 4.562 2.379 -12.996 844 HB3 GLU 27 HB3 GLU 27 5.737 1.880 -14.215 845 HG2 GLU 27 HG2 GLU 27 2.734 1.494 -14.477 846 HG3 GLU 27 HG3 GLU 27 3.631 2.843 -15.168 847 H LEU 28 H LEU 28 5.088 0.834 -10.752 848 HA LEU 28 HA LEU 28 7.892 0.483 -10.298 849 HB2 LEU 28 HB2 LEU 28 6.592 2.123 -9.091 850 HB3 LEU 28 HB3 LEU 28 5.444 0.908 -8.560 851 HG LEU 28 HG LEU 28 7.216 -0.080 -7.108 852 HD11 LEU 28 HD11 LEU 28 9.251 1.185 -6.588 853 HD12 LEU 28 HD12 LEU 28 8.869 2.351 -7.860 854 HD13 LEU 28 HD13 LEU 28 9.237 0.675 -8.277 855 HD21 LEU 28 HD21 LEU 28 7.075 1.705 -5.406 856 HD22 LEU 28 HD22 LEU 28 5.539 1.429 -6.232 857 HD23 LEU 28 HD23 LEU 28 6.527 2.829 -6.659 858 H ALA 29 H ALA 29 4.960 -1.436 -9.804 859 HA ALA 29 HA ALA 29 5.926 -3.500 -8.149 860 HB1 ALA 29 HB1 ALA 29 3.892 -4.724 -8.785 861 HB2 ALA 29 HB2 ALA 29 3.628 -3.613 -10.135 862 HB3 ALA 29 HB3 ALA 29 3.529 -3.024 -8.474 863 H ARG 30 H ARG 30 5.761 -3.293 -11.691 864 HA ARG 30 HA ARG 30 6.759 -5.906 -12.268 865 HB2 ARG 30 HB2 ARG 30 7.216 -4.919 -14.585 866 HB3 ARG 30 HB3 ARG 30 5.553 -4.820 -14.010 867 HG2 ARG 30 HG2 ARG 30 5.945 -2.464 -13.341 868 HG3 ARG 30 HG3 ARG 30 7.579 -2.561 -13.996 869 HD2 ARG 30 HD2 ARG 30 5.138 -3.105 -15.709 870 HD3 ARG 30 HD3 ARG 30 5.736 -1.465 -15.438 871 HE ARG 30 HE ARG 30 7.683 -3.389 -16.437 872 HH11 ARG 30 HH11 ARG 30 5.448 -0.858 -17.269 873 HH12 ARG 30 HH12 ARG 30 6.214 -0.555 -18.791 874 HH21 ARG 30 HH21 ARG 30 8.635 -2.978 -18.361 875 HH22 ARG 30 HH22 ARG 30 8.008 -1.752 -19.404 876 H LYS 31 H LYS 31 8.412 -2.801 -11.685 877 HA LYS 31 HA LYS 31 11.042 -3.607 -12.458 878 HB2 LYS 31 HB2 LYS 31 10.196 -1.495 -10.420 879 HB3 LYS 31 HB3 LYS 31 11.831 -1.686 -11.051 880 HG2 LYS 31 HG2 LYS 31 10.890 -1.196 -13.357 881 HG3 LYS 31 HG3 LYS 31 9.356 -0.802 -12.576 882 HD2 LYS 31 HD2 LYS 31 12.029 0.610 -12.153 883 HD3 LYS 31 HD3 LYS 31 10.631 1.251 -13.020 884 HE2 LYS 31 HE2 LYS 31 9.340 1.278 -10.914 885 HE3 LYS 31 HE3 LYS 31 10.721 0.602 -10.052 886 HZ1 LYS 31 HZ1 LYS 31 11.975 2.588 -10.583 887 HZ2 LYS 31 HZ2 LYS 31 10.562 2.969 -9.740 888 HZ3 LYS 31 HZ3 LYS 31 10.648 3.238 -11.406 889 H VAL 32 H VAL 32 9.287 -3.719 -9.376 890 HA VAL 32 HA VAL 32 11.556 -4.885 -7.918 891 HB VAL 32 HB VAL 32 10.215 -4.572 -5.899 892 HG11 VAL 32 HG11 VAL 32 11.467 -2.627 -6.706 893 HG12 VAL 32 HG12 VAL 32 9.960 -2.106 -5.957 894 HG13 VAL 32 HG13 VAL 32 10.103 -2.131 -7.715 895 HG21 VAL 32 HG21 VAL 32 7.947 -3.662 -7.721 896 HG22 VAL 32 HG22 VAL 32 7.940 -3.580 -5.957 897 HG23 VAL 32 HG23 VAL 32 7.977 -5.146 -6.765 898 H ASN 33 H ASN 33 9.051 -6.083 -9.772 899 HA ASN 33 HA ASN 33 8.268 -8.137 -10.266 900 HB2 ASN 33 HB2 ASN 33 10.485 -9.159 -8.439 901 HB3 ASN 33 HB3 ASN 33 9.608 -10.126 -9.621 902 HD21 ASN 33 HD21 ASN 33 9.596 -8.087 -11.707 903 HD22 ASN 33 HD22 ASN 33 11.219 -7.967 -12.274 904 H LEU 34 H LEU 34 7.289 -6.680 -7.799 905 HA LEU 34 HA LEU 34 6.022 -8.905 -6.297 906 HB2 LEU 34 HB2 LEU 34 6.096 -5.923 -5.673 907 HB3 LEU 34 HB3 LEU 34 5.391 -7.165 -4.648 908 HG LEU 34 HG LEU 34 8.362 -7.001 -5.324 909 HD11 LEU 34 HD11 LEU 34 6.945 -6.063 -2.808 910 HD12 LEU 34 HD12 LEU 34 7.701 -5.036 -4.031 911 HD13 LEU 34 HD13 LEU 34 8.694 -6.120 -3.060 912 HD21 LEU 34 HD21 LEU 34 6.892 -8.681 -3.258 913 HD22 LEU 34 HD22 LEU 34 8.645 -8.601 -3.467 914 HD23 LEU 34 HD23 LEU 34 7.636 -9.273 -4.747 915 H SER 35 H SER 35 3.682 -8.764 -5.896 916 HA SER 35 HA SER 35 1.982 -7.881 -7.989 917 HB2 SER 35 HB2 SER 35 1.237 -9.635 -6.476 918 HB3 SER 35 HB3 SER 35 1.378 -8.572 -5.078 919 HG SER 35 HG SER 35 -0.789 -8.969 -6.224 920 H VAL 36 H VAL 36 0.461 -6.091 -8.039 921 HA VAL 36 HA VAL 36 1.392 -3.541 -7.363 922 HB VAL 36 HB VAL 36 -1.502 -4.407 -7.838 923 HG11 VAL 36 HG11 VAL 36 -0.327 -1.594 -7.963 924 HG12 VAL 36 HG12 VAL 36 -1.492 -2.189 -6.774 925 HG13 VAL 36 HG13 VAL 36 -1.961 -2.042 -8.467 926 HG21 VAL 36 HG21 VAL 36 0.554 -3.310 -9.793 927 HG22 VAL 36 HG22 VAL 36 -1.130 -3.678 -10.173 928 HG23 VAL 36 HG23 VAL 36 -0.025 -4.977 -9.721 929 H GLU 37 H GLU 37 -0.983 -5.550 -5.686 930 HA GLU 37 HA GLU 37 -1.664 -3.942 -3.499 931 HB2 GLU 37 HB2 GLU 37 -1.413 -6.975 -3.600 932 HB3 GLU 37 HB3 GLU 37 -2.347 -6.062 -2.412 933 HG2 GLU 37 HG2 GLU 37 -3.867 -5.278 -4.132 934 HG3 GLU 37 HG3 GLU 37 -2.896 -6.033 -5.397 935 H SER 38 H SER 38 0.968 -6.334 -3.777 936 HA SER 38 HA SER 38 1.978 -6.124 -1.111 937 HB2 SER 38 HB2 SER 38 3.307 -7.179 -3.638 938 HB3 SER 38 HB3 SER 38 3.943 -7.400 -2.005 939 HG SER 38 HG SER 38 1.317 -8.223 -2.636 940 H THR 39 H THR 39 2.785 -4.512 -4.129 941 HA THR 39 HA THR 39 5.250 -3.307 -3.326 942 HB THR 39 HB THR 39 3.380 -2.588 -5.635 943 HG1 THR 39 HG1 THR 39 4.127 -4.439 -6.338 944 HG21 THR 39 HG21 THR 39 6.309 -1.862 -5.227 945 HG22 THR 39 HG22 THR 39 4.953 -0.733 -5.150 946 HG23 THR 39 HG23 THR 39 5.354 -1.530 -6.672 947 H ALA 40 H ALA 40 1.952 -1.994 -3.817 948 HA ALA 40 HA ALA 40 2.320 0.641 -2.923 949 HB1 ALA 40 HB1 ALA 40 0.320 -0.107 -4.134 950 HB2 ALA 40 HB2 ALA 40 -0.141 0.672 -2.621 951 HB3 ALA 40 HB3 ALA 40 -0.170 -1.093 -2.757 952 H LEU 41 H LEU 41 1.695 -2.292 -1.125 953 HA LEU 41 HA LEU 41 1.161 -1.276 1.462 954 HB2 LEU 41 HB2 LEU 41 1.097 -3.723 0.312 955 HB3 LEU 41 HB3 LEU 41 2.658 -3.861 1.082 956 HG LEU 41 HG LEU 41 -0.077 -3.628 2.369 957 HD11 LEU 41 HD11 LEU 41 0.653 -5.835 1.696 958 HD12 LEU 41 HD12 LEU 41 0.610 -5.720 3.452 959 HD13 LEU 41 HD13 LEU 41 2.158 -5.650 2.601 960 HD21 LEU 41 HD21 LEU 41 2.559 -3.323 3.854 961 HD22 LEU 41 HD22 LEU 41 0.969 -3.531 4.596 962 HD23 LEU 41 HD23 LEU 41 1.319 -2.084 3.657 963 H ALA 42 H ALA 42 4.186 -2.490 -0.001 964 HA ALA 42 HA ALA 42 5.941 -1.933 2.163 965 HB1 ALA 42 HB1 ALA 42 6.451 -3.579 0.411 966 HB2 ALA 42 HB2 ALA 42 7.740 -2.381 0.538 967 HB3 ALA 42 HB3 ALA 42 6.572 -2.288 -0.786 968 H VAL 43 H VAL 43 4.847 -0.014 -0.575 969 HA VAL 43 HA VAL 43 6.573 2.244 -0.228 970 HB VAL 43 HB VAL 43 3.855 1.950 -1.577 971 HG11 VAL 43 HG11 VAL 43 5.683 4.381 -1.661 972 HG12 VAL 43 HG12 VAL 43 4.079 4.307 -0.925 973 HG13 VAL 43 HG13 VAL 43 4.256 4.143 -2.673 974 HG21 VAL 43 HG21 VAL 43 5.142 2.036 -3.682 975 HG22 VAL 43 HG22 VAL 43 5.695 0.706 -2.664 976 HG23 VAL 43 HG23 VAL 43 6.646 2.189 -2.771 977 H GLY 44 H GLY 44 3.310 1.465 1.011 978 HA2 GLY 44 HA2 GLY 44 2.831 3.763 2.572 979 HA3 GLY 44 HA3 GLY 44 2.172 2.165 2.881 980 H TRP 45 H TRP 45 4.848 0.945 3.206 981 HA TRP 45 HA TRP 45 5.368 1.438 5.981 982 HB2 TRP 45 HB2 TRP 45 5.697 -0.781 4.774 983 HB3 TRP 45 HB3 TRP 45 7.137 -0.098 4.025 984 HD1 TRP 45 HD1 TRP 45 9.373 -0.196 5.476 985 HE1 TRP 45 HE1 TRP 45 9.914 -1.012 7.853 986 HE3 TRP 45 HE3 TRP 45 4.610 -0.884 7.227 987 HZ2 TRP 45 HZ2 TRP 45 8.530 -1.847 10.152 988 HZ3 TRP 45 HZ3 TRP 45 4.312 -1.705 9.532 989 HH2 TRP 45 HH2 TRP 45 6.232 -2.171 10.963 990 H LEU 46 H LEU 46 6.956 2.425 2.968 991 HA LEU 46 HA LEU 46 9.152 3.849 4.140 992 HB2 LEU 46 HB2 LEU 46 7.810 4.143 1.431 993 HB3 LEU 46 HB3 LEU 46 9.344 4.885 1.870 994 HG LEU 46 HG LEU 46 8.859 1.878 1.764 995 HD11 LEU 46 HD11 LEU 46 10.158 1.889 -0.312 996 HD12 LEU 46 HD12 LEU 46 10.237 3.651 -0.275 997 HD13 LEU 46 HD13 LEU 46 8.679 2.836 -0.474 998 HD21 LEU 46 HD21 LEU 46 11.444 3.450 2.074 999 HD22 LEU 46 HD22 LEU 46 11.311 1.695 1.916 1000 HD23 LEU 46 HD23 LEU 46 10.642 2.501 3.331 1001 H ALA 47 H ALA 47 5.845 4.769 3.185 1002 HA ALA 47 HA ALA 47 5.899 7.512 3.724 1003 HB1 ALA 47 HB1 ALA 47 3.455 7.352 3.963 1004 HB2 ALA 47 HB2 ALA 47 3.575 5.596 4.114 1005 HB3 ALA 47 HB3 ALA 47 4.024 6.382 2.601 1006 H ARG 48 H ARG 48 5.514 4.783 6.004 1007 HA ARG 48 HA ARG 48 5.173 6.178 8.436 1008 HB2 ARG 48 HB2 ARG 48 5.091 3.753 8.422 1009 HB3 ARG 48 HB3 ARG 48 6.725 3.639 7.790 1010 HG2 ARG 48 HG2 ARG 48 7.557 4.651 9.956 1011 HG3 ARG 48 HG3 ARG 48 5.911 4.530 10.578 1012 HD2 ARG 48 HD2 ARG 48 5.981 2.096 10.384 1013 HD3 ARG 48 HD3 ARG 48 7.569 2.171 9.607 1014 HE ARG 48 HE ARG 48 8.007 3.428 11.951 1015 HH11 ARG 48 HH11 ARG 48 6.558 0.356 11.322 1016 HH12 ARG 48 HH12 ARG 48 7.168 -0.341 12.779 1017 HH21 ARG 48 HH21 ARG 48 8.728 2.556 13.806 1018 HH22 ARG 48 HH22 ARG 48 8.382 0.906 14.186 1019 H GLU 49 H GLU 49 8.134 5.299 6.694 1020 HA GLU 49 HA GLU 49 9.936 6.431 8.653 1021 HB2 GLU 49 HB2 GLU 49 10.536 5.334 5.882 1022 HB3 GLU 49 HB3 GLU 49 11.701 5.600 7.178 1023 HG2 GLU 49 HG2 GLU 49 10.598 3.847 8.521 1024 HG3 GLU 49 HG3 GLU 49 9.436 3.578 7.220 1025 H ASN 50 H ASN 50 8.165 7.777 6.144 1026 HA ASN 50 HA ASN 50 8.048 9.777 5.109 1027 HB2 ASN 50 HB2 ASN 50 10.187 10.704 7.072 1028 HB3 ASN 50 HB3 ASN 50 9.090 11.742 6.162 1029 HD21 ASN 50 HD21 ASN 50 9.478 11.431 9.076 1030 HD22 ASN 50 HD22 ASN 50 7.914 11.050 9.706 1031 H LYS 51 H LYS 51 10.008 7.748 4.242 1032 HA LYS 51 HA LYS 51 12.294 9.164 3.102 1033 HB2 LYS 51 HB2 LYS 51 11.417 6.269 3.244 1034 HB3 LYS 51 HB3 LYS 51 12.765 6.746 2.221 1035 HG2 LYS 51 HG2 LYS 51 14.101 7.388 4.077 1036 HG3 LYS 51 HG3 LYS 51 12.717 7.400 5.174 1037 HD2 LYS 51 HD2 LYS 51 14.224 5.430 5.500 1038 HD3 LYS 51 HD3 LYS 51 12.563 4.988 5.124 1039 HE2 LYS 51 HE2 LYS 51 13.306 4.653 2.714 1040 HE3 LYS 51 HE3 LYS 51 14.967 4.863 3.276 1041 HZ1 LYS 51 HZ1 LYS 51 14.801 2.946 4.606 1042 HZ2 LYS 51 HZ2 LYS 51 14.144 2.524 3.108 1043 HZ3 LYS 51 HZ3 LYS 51 13.121 2.848 4.416 1044 H VAL 52 H VAL 52 9.111 8.741 2.089 1045 HA VAL 52 HA VAL 52 9.857 9.085 -0.758 1046 HB VAL 52 HB VAL 52 7.883 7.712 -1.447 1047 HG11 VAL 52 HG11 VAL 52 9.980 6.177 0.122 1048 HG12 VAL 52 HG12 VAL 52 10.109 6.719 -1.553 1049 HG13 VAL 52 HG13 VAL 52 8.917 5.496 -1.114 1050 HG21 VAL 52 HG21 VAL 52 6.537 7.810 0.612 1051 HG22 VAL 52 HG22 VAL 52 7.753 6.869 1.482 1052 HG23 VAL 52 HG23 VAL 52 6.841 6.128 0.164 1053 H VAL 53 H VAL 53 8.102 9.944 -2.103 1054 HA VAL 53 HA VAL 53 6.292 11.830 -0.678 1055 HB VAL 53 HB VAL 53 7.349 12.083 -3.523 1056 HG11 VAL 53 HG11 VAL 53 5.978 14.136 -1.741 1057 HG12 VAL 53 HG12 VAL 53 5.267 13.335 -3.146 1058 HG13 VAL 53 HG13 VAL 53 6.621 14.449 -3.356 1059 HG21 VAL 53 HG21 VAL 53 8.966 13.757 -2.683 1060 HG22 VAL 53 HG22 VAL 53 9.264 12.159 -1.993 1061 HG23 VAL 53 HG23 VAL 53 8.468 13.405 -1.026 1062 H ILE 54 H ILE 54 4.115 11.691 -1.066 1063 HA ILE 54 HA ILE 54 3.096 9.869 -3.178 1064 HB ILE 54 HB ILE 54 1.961 10.538 -0.427 1065 HG12 ILE 54 HG12 ILE 54 3.692 8.755 -0.447 1066 HG13 ILE 54 HG13 ILE 54 2.119 8.117 0.013 1067 HG21 ILE 54 HG21 ILE 54 0.069 10.552 -1.964 1068 HG22 ILE 54 HG22 ILE 54 0.003 9.099 -0.968 1069 HG23 ILE 54 HG23 ILE 54 0.558 8.995 -2.640 1070 HD11 ILE 54 HD11 ILE 54 1.844 7.194 -2.246 1071 HD12 ILE 54 HD12 ILE 54 3.293 6.586 -1.448 1072 HD13 ILE 54 HD13 ILE 54 3.431 7.828 -2.691 1073 H GLU 55 H GLU 55 1.854 10.789 -4.739 1074 HA GLU 55 HA GLU 55 0.106 13.081 -4.054 1075 HB2 GLU 55 HB2 GLU 55 1.618 12.717 -6.668 1076 HB3 GLU 55 HB3 GLU 55 0.322 13.884 -6.434 1077 HG2 GLU 55 HG2 GLU 55 1.769 14.926 -4.614 1078 HG3 GLU 55 HG3 GLU 55 3.082 13.891 -5.196 1079 H ARG 56 H ARG 56 -1.864 13.179 -5.184 1080 HA ARG 56 HA ARG 56 -2.699 10.807 -6.761 1081 HB2 ARG 56 HB2 ARG 56 -4.332 12.778 -5.106 1082 HB3 ARG 56 HB3 ARG 56 -5.067 11.633 -6.228 1083 HG2 ARG 56 HG2 ARG 56 -4.148 9.751 -4.938 1084 HG3 ARG 56 HG3 ARG 56 -3.358 10.871 -3.828 1085 HD2 ARG 56 HD2 ARG 56 -5.537 11.674 -3.039 1086 HD3 ARG 56 HD3 ARG 56 -6.370 10.670 -4.235 1087 HE ARG 56 HE ARG 56 -4.827 8.930 -2.727 1088 HH11 ARG 56 HH11 ARG 56 -7.442 11.103 -2.017 1089 HH12 ARG 56 HH12 ARG 56 -8.039 10.129 -0.728 1090 HH21 ARG 56 HH21 ARG 56 -5.618 7.713 -1.053 1091 HH22 ARG 56 HH22 ARG 56 -7.015 8.235 -0.184 1092 H LYS 57 H LYS 57 -2.378 11.251 -8.858 1093 HA LYS 57 HA LYS 57 -3.154 13.885 -9.986 1094 HB2 LYS 57 HB2 LYS 57 -1.417 13.440 -11.793 1095 HB3 LYS 57 HB3 LYS 57 -0.764 13.775 -10.198 1096 HG2 LYS 57 HG2 LYS 57 -1.105 10.927 -11.175 1097 HG3 LYS 57 HG3 LYS 57 0.316 11.871 -11.618 1098 HD2 LYS 57 HD2 LYS 57 -0.468 11.577 -8.701 1099 HD3 LYS 57 HD3 LYS 57 0.396 10.274 -9.519 1100 HE2 LYS 57 HE2 LYS 57 1.902 11.817 -8.277 1101 HE3 LYS 57 HE3 LYS 57 2.268 11.724 -9.993 1102 HZ1 LYS 57 HZ1 LYS 57 2.383 13.970 -9.106 1103 HZ2 LYS 57 HZ2 LYS 57 0.740 13.919 -8.720 1104 HZ3 LYS 57 HZ3 LYS 57 1.233 13.833 -10.335 1105 H ASN 58 H ASN 58 -4.910 13.729 -11.198 1106 HA ASN 58 HA ASN 58 -6.671 12.984 -12.417 1107 HB2 ASN 58 HB2 ASN 58 -4.615 11.253 -13.868 1108 HB3 ASN 58 HB3 ASN 58 -6.181 11.759 -14.494 1109 HD21 ASN 58 HD21 ASN 58 -2.913 12.729 -13.847 1110 HD22 ASN 58 HD22 ASN 58 -2.979 14.248 -14.661 1111 H GLY 59 H GLY 59 -6.114 11.566 -9.947 1112 HA2 GLY 59 HA2 GLY 59 -7.389 9.945 -8.833 1113 HA3 GLY 59 HA3 GLY 59 -7.689 9.119 -10.349 1114 H LEU 60 H LEU 60 -4.636 9.334 -10.855 1115 HA LEU 60 HA LEU 60 -4.055 6.683 -9.726 1116 HB2 LEU 60 HB2 LEU 60 -2.758 8.288 -11.967 1117 HB3 LEU 60 HB3 LEU 60 -2.072 6.793 -11.357 1118 HG LEU 60 HG LEU 60 -4.180 5.591 -12.042 1119 HD11 LEU 60 HD11 LEU 60 -5.766 7.446 -12.074 1120 HD12 LEU 60 HD12 LEU 60 -5.726 6.622 -13.630 1121 HD13 LEU 60 HD13 LEU 60 -4.913 8.178 -13.437 1122 HD21 LEU 60 HD21 LEU 60 -2.184 5.519 -13.449 1123 HD22 LEU 60 HD22 LEU 60 -2.695 6.989 -14.283 1124 HD23 LEU 60 HD23 LEU 60 -3.648 5.510 -14.432 1125 H ILE 61 H ILE 61 -1.908 6.198 -8.837 1126 HA ILE 61 HA ILE 61 -0.702 8.479 -7.356 1127 HB ILE 61 HB ILE 61 -0.303 5.519 -6.710 1128 HG12 ILE 61 HG12 ILE 61 -2.726 6.028 -6.510 1129 HG13 ILE 61 HG13 ILE 61 -2.002 5.681 -4.948 1130 HG21 ILE 61 HG21 ILE 61 0.418 6.356 -4.486 1131 HG22 ILE 61 HG22 ILE 61 0.158 8.018 -5.025 1132 HG23 ILE 61 HG23 ILE 61 1.409 7.030 -5.786 1133 HD11 ILE 61 HD11 ILE 61 -3.611 7.470 -4.833 1134 HD12 ILE 61 HD12 ILE 61 -2.689 8.411 -6.005 1135 HD13 ILE 61 HD13 ILE 61 -1.998 8.049 -4.420 1136 H GLU 62 H GLU 62 1.365 9.078 -7.897 1137 HA GLU 62 HA GLU 62 3.220 7.061 -9.059 1138 HB2 GLU 62 HB2 GLU 62 3.310 10.065 -9.600 1139 HB3 GLU 62 HB3 GLU 62 4.503 8.890 -10.145 1140 HG2 GLU 62 HG2 GLU 62 2.786 7.812 -11.556 1141 HG3 GLU 62 HG3 GLU 62 1.603 9.010 -11.021 1142 H ILE 63 H ILE 63 5.126 6.844 -8.000 1143 HA ILE 63 HA ILE 63 5.355 8.166 -5.398 1144 HB ILE 63 HB ILE 63 5.390 5.670 -5.539 1145 HG12 ILE 63 HG12 ILE 63 7.338 5.319 -3.999 1146 HG13 ILE 63 HG13 ILE 63 7.929 6.928 -4.416 1147 HG21 ILE 63 HG21 ILE 63 6.577 5.336 -7.636 1148 HG22 ILE 63 HG22 ILE 63 7.378 4.461 -6.332 1149 HG23 ILE 63 HG23 ILE 63 8.061 5.973 -6.930 1150 HD11 ILE 63 HD11 ILE 63 5.240 6.393 -3.180 1151 HD12 ILE 63 HD12 ILE 63 6.043 7.951 -3.397 1152 HD13 ILE 63 HD13 ILE 63 6.700 6.766 -2.279 1153 H TYR 64 H TYR 64 6.890 9.660 -4.941 1154 HA TYR 64 HA TYR 64 9.105 10.159 -6.861 1155 HB2 TYR 64 HB2 TYR 64 7.689 12.192 -5.089 1156 HB3 TYR 64 HB3 TYR 64 9.030 12.543 -6.171 1157 HD1 TYR 64 HD1 TYR 64 8.670 12.626 -8.630 1158 HD2 TYR 64 HD2 TYR 64 5.418 11.837 -5.963 1159 HE1 TYR 64 HE1 TYR 64 7.074 13.085 -10.440 1160 HE2 TYR 64 HE2 TYR 64 3.829 12.289 -7.774 1161 HH TYR 64 HH TYR 64 4.622 12.381 -10.971 1162 H ASN 65 H ASN 65 10.946 11.425 -5.770 1163 HA ASN 65 HA ASN 65 11.966 9.563 -3.771 1164 HB2 ASN 65 HB2 ASN 65 13.449 11.762 -5.263 1165 HB3 ASN 65 HB3 ASN 65 14.178 10.429 -4.376 1166 HD21 ASN 65 HD21 ASN 65 14.236 8.393 -5.365 1167 HD22 ASN 65 HD22 ASN 65 13.859 8.168 -7.033 1168 H GLU 66 H GLU 66 11.503 10.106 -1.672 1169 HA GLU 66 HA GLU 66 11.797 11.104 0.346 1170 HB2 GLU 66 HB2 GLU 66 14.217 11.284 0.849 1171 HB3 GLU 66 HB3 GLU 66 13.848 9.877 -0.143 1172 HG2 GLU 66 HG2 GLU 66 14.629 11.114 -2.155 1173 HG3 GLU 66 HG3 GLU 66 15.052 12.487 -1.132 1174 H GLY 67 H GLY 67 14.007 13.105 0.967 1175 HA2 GLY 67 HA2 GLY 67 12.317 15.391 1.232 1176 HA3 GLY 67 HA3 GLY 67 13.983 15.250 1.741 1177 H HIS 68 H HIS 68 12.108 15.543 -1.270 1178 HA HIS 68 HA HIS 68 13.049 18.203 -1.682 1179 HB2 HIS 68 HB2 HIS 68 13.886 17.848 -4.053 1180 HB3 HIS 68 HB3 HIS 68 14.955 17.271 -2.793 1181 HD1 HIS 68 HD1 HIS 68 15.820 14.989 -3.055 1182 HD2 HIS 68 HD2 HIS 68 12.472 15.641 -5.425 1183 HE1 HIS 68 HE1 HIS 68 15.658 12.982 -4.545 1184 HE2 HIS 68 HE2 HIS 68 13.728 13.482 -6.086 1185 H PHE 69 H PHE 69 10.691 17.240 -1.010 1186 HA PHE 69 HA PHE 69 8.903 17.172 -3.342 1187 HB2 PHE 69 HB2 PHE 69 7.129 16.689 -1.598 1188 HB3 PHE 69 HB3 PHE 69 8.409 15.497 -1.711 1189 HD1 PHE 69 HD2 PHE 69 6.951 18.149 0.441 1190 HD2 PHE 69 HD1 PHE 69 9.958 15.116 0.148 1191 HE1 PHE 69 HE2 PHE 69 7.334 18.281 2.868 1192 HE2 PHE 69 HE1 PHE 69 10.326 15.253 2.573 1193 HZ PHE 69 HZ PHE 69 9.016 16.835 3.936 1194 H ASP 70 H ASP 70 10.382 19.657 -2.219 1195 HA ASP 70 HA ASP 70 8.494 21.607 -1.417 1196 HB2 ASP 70 HB2 ASP 70 10.982 22.038 -3.152 1197 HB3 ASP 70 HB3 ASP 70 10.159 23.257 -2.179 1198 H PHE 71 H PHE 71 9.694 20.691 -4.622 1199 HA PHE 71 HA PHE 71 7.096 21.379 -5.838 1200 HB2 PHE 71 HB2 PHE 71 8.685 23.112 -6.570 1201 HB3 PHE 71 HB3 PHE 71 9.866 21.891 -7.038 1202 HD1 PHE 71 HD2 PHE 71 6.328 22.962 -7.793 1203 HD2 PHE 71 HD1 PHE 71 9.928 21.210 -9.317 1204 HE1 PHE 71 HE2 PHE 71 5.360 22.911 -10.049 1205 HE2 PHE 71 HE1 PHE 71 8.944 21.160 -11.572 1206 HZ PHE 71 HZ PHE 71 6.661 22.013 -11.940 1207 H SER 72 H SER 72 6.201 19.536 -6.582 1208 HA SER 72 HA SER 72 7.673 17.121 -7.124 1209 HB2 SER 72 HB2 SER 72 5.461 16.263 -7.953 1210 HB3 SER 72 HB3 SER 72 5.385 16.939 -6.329 1211 HG SER 72 HG SER 72 3.650 17.609 -7.648 1212 H PHE 73 H PHE 73 8.833 16.773 -8.900 1213 HA PHE 73 HA PHE 73 9.102 18.842 -10.834 1214 HB2 PHE 73 HB2 PHE 73 10.512 16.150 -10.645 1215 HB3 PHE 73 HB3 PHE 73 10.992 17.469 -11.715 1216 HD1 PHE 73 HD2 PHE 73 11.705 19.698 -10.671 1217 HD2 PHE 73 HD1 PHE 73 11.231 16.131 -8.348 1218 HE1 PHE 73 HE2 PHE 73 13.054 20.685 -8.869 1219 HE2 PHE 73 HE1 PHE 73 12.570 17.136 -6.551 1220 HZ PHE 73 HZ PHE 73 13.486 19.406 -6.810 1221 H GLY 74 H GLY 74 6.994 18.796 -11.869 1222 HA2 GLY 74 HA2 GLY 74 6.580 16.852 -14.005 1223 HA3 GLY 74 HA3 GLY 74 5.718 18.372 -13.772 1224 H LEU 75 H LEU 75 8.356 19.793 -13.489 1225 HA LEU 75 HA LEU 75 8.934 20.532 -16.183 1226 HB2 LEU 75 HB2 LEU 75 9.154 22.086 -14.272 1227 HB3 LEU 75 HB3 LEU 75 10.414 21.085 -13.575 1228 HG LEU 75 HG LEU 75 11.895 21.637 -15.529 1229 HD11 LEU 75 HD11 LEU 75 10.214 22.124 -17.226 1230 HD12 LEU 75 HD12 LEU 75 11.323 23.479 -17.042 1231 HD13 LEU 75 HD13 LEU 75 9.703 23.566 -16.344 1232 HD21 LEU 75 HD21 LEU 75 10.885 24.062 -14.002 1233 HD22 LEU 75 HD22 LEU 75 12.443 23.925 -14.822 1234 HD23 LEU 75 HD23 LEU 75 12.089 22.903 -13.433 1235 H GLU 76 H GLU 76 9.396 18.495 -17.134 1236 HA GLU 76 HA GLU 76 10.599 16.873 -18.061 1237 HB2 GLU 76 HB2 GLU 76 12.262 18.629 -18.515 1238 HB3 GLU 76 HB3 GLU 76 13.021 18.339 -16.956 1239 HG2 GLU 76 HG2 GLU 76 14.336 17.320 -18.745 1240 HG3 GLU 76 HG3 GLU 76 13.687 16.073 -17.681 1241 H HIS 77 H HIS 77 10.485 14.821 -17.386 1242 HA HIS 77 HA HIS 77 12.546 13.716 -15.796 1243 HB2 HIS 77 HB2 HIS 77 11.327 12.725 -13.946 1244 HB3 HIS 77 HB3 HIS 77 11.092 14.455 -13.911 1245 HD1 HIS 77 HD1 HIS 77 9.285 11.570 -13.223 1246 HD2 HIS 77 HD2 HIS 77 8.377 15.005 -15.386 1247 HE1 HIS 77 HE1 HIS 77 6.783 11.671 -13.294 1248 HE2 HIS 77 HE2 HIS 77 6.256 13.653 -14.740 1249 H HIS 78 H HIS 78 13.111 12.052 -17.020 1250 HA HIS 78 HA HIS 78 11.141 10.676 -18.713 1251 HB2 HIS 78 HB2 HIS 78 14.093 11.130 -18.859 1252 HB3 HIS 78 HB3 HIS 78 13.556 9.575 -19.476 1253 HD1 HIS 78 HD1 HIS 78 12.853 13.258 -19.996 1254 HD2 HIS 78 HD2 HIS 78 12.652 9.654 -22.029 1255 HE1 HIS 78 HE1 HIS 78 12.133 13.851 -22.326 1256 HE2 HIS 78 HE2 HIS 78 11.835 11.635 -23.472 1257 H HIS 79 H HIS 79 13.513 9.842 -16.160 1258 HA HIS 79 HA HIS 79 14.260 7.862 -15.332 1259 HB2 HIS 79 HB2 HIS 79 12.374 6.486 -14.193 1260 HB3 HIS 79 HB3 HIS 79 12.620 8.146 -13.685 1261 HD1 HIS 79 HD1 HIS 79 10.793 9.859 -14.293 1262 HD2 HIS 79 HD2 HIS 79 9.835 5.951 -15.342 1263 HE1 HIS 79 HE1 HIS 79 8.336 9.887 -14.806 1264 HE2 HIS 79 HE2 HIS 79 7.822 7.565 -15.607 1265 H HIS 80 H HIS 80 15.171 7.054 -17.206 1266 HA HIS 80 HA HIS 80 13.810 5.581 -19.225 1267 HB2 HIS 80 HB2 HIS 80 15.818 6.884 -19.711 1268 HB3 HIS 80 HB3 HIS 80 16.773 5.925 -18.589 1269 HD1 HIS 80 HD1 HIS 80 14.900 5.477 -21.878 1270 HD2 HIS 80 HD2 HIS 80 18.118 3.882 -19.791 1271 HE1 HIS 80 HE1 HIS 80 15.953 3.811 -23.431 1272 HE2 HIS 80 HE2 HIS 80 17.911 2.882 -22.166 1273 H HIS 81 H HIS 81 13.853 3.387 -19.757 1274 HA HIS 81 HA HIS 81 14.011 1.434 -17.664 1275 HB2 HIS 81 HB2 HIS 81 13.633 1.143 -20.680 1276 HB3 HIS 81 HB3 HIS 81 13.570 -0.215 -19.560 1277 HD1 HIS 81 HD1 HIS 81 11.787 3.111 -20.090 1278 HD2 HIS 81 HD2 HIS 81 11.062 -0.701 -18.609 1279 HE1 HIS 81 HE1 HIS 81 9.353 3.065 -19.535 1280 HE2 HIS 81 HE2 HIS 81 8.894 0.693 -18.852 1281 H HIS 82 H HIS 82 15.997 1.080 -16.844 1282 HA HIS 82 HA HIS 82 18.493 1.083 -18.114 1283 HB2 HIS 82 HB2 HIS 82 19.284 -0.160 -16.043 1284 HB3 HIS 82 HB3 HIS 82 18.381 1.314 -15.721 1285 HD1 HIS 82 HD1 HIS 82 18.104 -2.426 -15.427 1286 HD2 HIS 82 HD2 HIS 82 15.945 0.964 -14.368 1287 HE1 HIS 82 HE1 HIS 82 16.308 -3.233 -13.877 1288 HE2 HIS 82 HE2 HIS 82 15.059 -1.161 -13.189 Start of MODEL 3 1 H1 MET 1 H1 MET 1 2.305 14.659 -0.500 2 H2 MET 1 H2 MET 1 2.146 15.455 0.984 3 H3 MET 1 H3 MET 1 2.068 16.336 -0.458 4 HA MET 1 HA MET 1 -0.123 16.090 0.427 5 HB2 MET 1 HB2 MET 1 0.241 16.019 -2.060 6 HB3 MET 1 HB3 MET 1 0.248 14.263 -1.988 7 HG2 MET 1 HG2 MET 1 -2.095 14.327 -1.143 8 HG3 MET 1 HG3 MET 1 -2.079 16.085 -1.315 9 HE1 MET 1 HE1 MET 1 -4.315 14.222 -2.669 10 HE2 MET 1 HE2 MET 1 -4.421 14.973 -4.262 11 HE3 MET 1 HE3 MET 1 -4.272 15.980 -2.823 12 H ASP 2 H ASP 2 1.616 13.038 0.225 13 HA ASP 2 HA ASP 2 -0.419 11.193 0.616 14 HB2 ASP 2 HB2 ASP 2 1.415 9.636 1.407 15 HB3 ASP 2 HB3 ASP 2 1.700 10.429 -0.137 16 H LYS 3 H LYS 3 1.380 12.944 3.167 17 HA LYS 3 HA LYS 3 0.569 11.363 5.365 18 HB2 LYS 3 HB2 LYS 3 1.413 14.275 5.256 19 HB3 LYS 3 HB3 LYS 3 1.175 13.391 6.762 20 HG2 LYS 3 HG2 LYS 3 3.189 12.673 4.599 21 HG3 LYS 3 HG3 LYS 3 3.559 13.514 6.111 22 HD2 LYS 3 HD2 LYS 3 2.843 11.527 7.404 23 HD3 LYS 3 HD3 LYS 3 2.408 10.697 5.906 24 HE2 LYS 3 HE2 LYS 3 5.209 11.574 6.685 25 HE3 LYS 3 HE3 LYS 3 4.580 9.928 6.768 26 HZ1 LYS 3 HZ1 LYS 3 5.034 11.561 4.332 27 HZ2 LYS 3 HZ2 LYS 3 4.175 10.113 4.320 28 HZ3 LYS 3 HZ3 LYS 3 5.804 10.122 4.769 29 H LYS 4 H LYS 4 -1.166 13.903 3.691 30 HA LYS 4 HA LYS 4 -3.359 14.060 5.580 31 HB2 LYS 4 HB2 LYS 4 -2.948 15.086 2.750 32 HB3 LYS 4 HB3 LYS 4 -4.502 15.244 3.560 33 HG2 LYS 4 HG2 LYS 4 -1.887 16.389 4.609 34 HG3 LYS 4 HG3 LYS 4 -3.093 17.303 3.698 35 HD2 LYS 4 HD2 LYS 4 -3.560 15.963 6.403 36 HD3 LYS 4 HD3 LYS 4 -3.284 17.687 6.151 37 HE2 LYS 4 HE2 LYS 4 -5.369 17.830 4.825 38 HE3 LYS 4 HE3 LYS 4 -5.641 16.103 5.056 39 HZ1 LYS 4 HZ1 LYS 4 -5.850 16.480 7.416 40 HZ2 LYS 4 HZ2 LYS 4 -6.942 17.452 6.570 41 HZ3 LYS 4 HZ3 LYS 4 -5.536 18.129 7.219 42 H ILE 5 H ILE 5 -2.809 12.464 2.447 43 HA ILE 5 HA ILE 5 -5.351 11.331 2.041 44 HB ILE 5 HB ILE 5 -2.648 10.263 1.098 45 HG12 ILE 5 HG12 ILE 5 -4.591 12.152 -0.315 46 HG13 ILE 5 HG13 ILE 5 -3.058 12.625 0.408 47 HG21 ILE 5 HG21 ILE 5 -5.426 9.669 -0.001 48 HG22 ILE 5 HG22 ILE 5 -4.378 8.536 0.856 49 HG23 ILE 5 HG23 ILE 5 -3.905 9.143 -0.729 50 HD11 ILE 5 HD11 ILE 5 -1.868 11.226 -1.229 51 HD12 ILE 5 HD12 ILE 5 -2.866 12.459 -1.997 52 HD13 ILE 5 HD13 ILE 5 -3.414 10.784 -1.961 53 H VAL 6 H VAL 6 -2.443 9.789 3.440 54 HA VAL 6 HA VAL 6 -3.344 7.181 3.603 55 HB VAL 6 HB VAL 6 -1.483 6.788 5.241 56 HG11 VAL 6 HG11 VAL 6 0.366 7.394 3.723 57 HG12 VAL 6 HG12 VAL 6 -0.699 8.500 2.851 58 HG13 VAL 6 HG13 VAL 6 -1.018 6.764 2.826 59 HG21 VAL 6 HG21 VAL 6 -1.590 8.891 6.530 60 HG22 VAL 6 HG22 VAL 6 -1.077 9.812 5.116 61 HG23 VAL 6 HG23 VAL 6 0.032 8.662 5.868 62 H GLY 7 H GLY 7 -3.521 9.702 6.147 63 HA2 GLY 7 HA2 GLY 7 -4.645 8.004 8.172 64 HA3 GLY 7 HA3 GLY 7 -4.575 9.759 8.197 65 H ALA 8 H ALA 8 -6.034 10.336 5.862 66 HA ALA 8 HA ALA 8 -8.714 10.319 6.727 67 HB1 ALA 8 HB1 ALA 8 -9.236 11.246 4.504 68 HB2 ALA 8 HB2 ALA 8 -7.636 10.771 3.922 69 HB3 ALA 8 HB3 ALA 8 -7.791 11.999 5.182 70 H ASN 9 H ASN 9 -7.013 8.168 4.478 71 HA ASN 9 HA ASN 9 -9.389 6.570 3.929 72 HB2 ASN 9 HB2 ASN 9 -6.512 6.278 2.988 73 HB3 ASN 9 HB3 ASN 9 -7.828 5.211 2.497 74 HD21 ASN 9 HD21 ASN 9 -6.386 8.316 2.046 75 HD22 ASN 9 HD22 ASN 9 -7.407 8.834 0.765 76 H ALA 10 H ALA 10 -6.851 6.515 6.316 77 HA ALA 10 HA ALA 10 -6.614 3.662 6.646 78 HB1 ALA 10 HB1 ALA 10 -5.824 5.896 8.558 79 HB2 ALA 10 HB2 ALA 10 -4.796 5.186 7.314 80 HB3 ALA 10 HB3 ALA 10 -5.325 4.205 8.678 81 H GLY 11 H GLY 11 -8.479 6.201 8.289 82 HA2 GLY 11 HA2 GLY 11 -9.681 4.582 10.303 83 HA3 GLY 11 HA3 GLY 11 -10.291 6.120 9.709 84 H LYS 12 H LYS 12 -10.538 5.278 6.958 85 HA LYS 12 HA LYS 12 -13.130 4.083 6.940 86 HB2 LYS 12 HB2 LYS 12 -12.493 5.782 5.300 87 HB3 LYS 12 HB3 LYS 12 -11.192 4.769 4.691 88 HG2 LYS 12 HG2 LYS 12 -13.062 4.761 3.134 89 HG3 LYS 12 HG3 LYS 12 -12.840 3.156 3.825 90 HD2 LYS 12 HD2 LYS 12 -15.214 3.624 3.721 91 HD3 LYS 12 HD3 LYS 12 -14.725 3.620 5.416 92 HE2 LYS 12 HE2 LYS 12 -14.662 6.111 5.368 93 HE3 LYS 12 HE3 LYS 12 -15.213 6.078 3.692 94 HZ1 LYS 12 HZ1 LYS 12 -17.226 4.942 4.461 95 HZ2 LYS 12 HZ2 LYS 12 -17.046 6.472 5.154 96 HZ3 LYS 12 HZ3 LYS 12 -16.701 5.087 6.062 97 H VAL 13 H VAL 13 -9.903 2.860 5.918 98 HA VAL 13 HA VAL 13 -10.963 0.363 4.939 99 HB VAL 13 HB VAL 13 -8.644 -0.317 4.497 100 HG11 VAL 13 HG11 VAL 13 -9.766 1.125 2.851 101 HG12 VAL 13 HG12 VAL 13 -8.036 1.457 2.892 102 HG13 VAL 13 HG13 VAL 13 -9.163 2.566 3.677 103 HG21 VAL 13 HG21 VAL 13 -7.795 2.235 5.920 104 HG22 VAL 13 HG22 VAL 13 -6.722 1.156 5.023 105 HG23 VAL 13 HG23 VAL 13 -7.521 0.586 6.488 106 H TRP 14 H TRP 14 -9.398 1.352 7.976 107 HA TRP 14 HA TRP 14 -9.180 -1.281 9.087 108 HB2 TRP 14 HB2 TRP 14 -7.960 0.838 9.910 109 HB3 TRP 14 HB3 TRP 14 -9.449 1.259 10.743 110 HD1 TRP 14 HD1 TRP 14 -6.636 -1.398 10.804 111 HE1 TRP 14 HE1 TRP 14 -6.618 -2.517 13.112 112 HE3 TRP 14 HE3 TRP 14 -10.822 0.730 12.785 113 HZ2 TRP 14 HZ2 TRP 14 -8.150 -2.513 15.473 114 HZ3 TRP 14 HZ3 TRP 14 -11.489 0.132 15.088 115 HH2 TRP 14 HH2 TRP 14 -10.176 -1.463 16.405 116 H HIS 15 H HIS 15 -11.708 1.202 9.174 117 HA HIS 15 HA HIS 15 -13.643 -0.112 10.759 118 HB2 HIS 15 HB2 HIS 15 -13.922 2.229 10.176 119 HB3 HIS 15 HB3 HIS 15 -13.926 1.861 8.457 120 HD1 HIS 15 HD1 HIS 15 -16.079 1.304 11.536 121 HD2 HIS 15 HD2 HIS 15 -16.437 1.457 7.402 122 HE1 HIS 15 HE1 HIS 15 -18.530 1.153 11.076 123 HE2 HIS 15 HE2 HIS 15 -18.735 1.390 8.587 124 H ALA 16 H ALA 16 -12.800 -0.441 7.345 125 HA ALA 16 HA ALA 16 -14.965 -2.101 6.533 126 HB1 ALA 16 HB1 ALA 16 -12.208 -1.864 5.318 127 HB2 ALA 16 HB2 ALA 16 -13.568 -0.791 4.994 128 HB3 ALA 16 HB3 ALA 16 -13.660 -2.488 4.528 129 H LEU 17 H LEU 17 -11.791 -2.812 7.878 130 HA LEU 17 HA LEU 17 -11.897 -5.656 7.810 131 HB2 LEU 17 HB2 LEU 17 -10.504 -3.832 9.804 132 HB3 LEU 17 HB3 LEU 17 -10.135 -5.535 9.544 133 HG LEU 17 HG LEU 17 -9.793 -3.381 7.419 134 HD11 LEU 17 HD11 LEU 17 -8.291 -2.932 9.292 135 HD12 LEU 17 HD12 LEU 17 -7.403 -3.451 7.861 136 HD13 LEU 17 HD13 LEU 17 -7.655 -4.578 9.196 137 HD21 LEU 17 HD21 LEU 17 -8.815 -6.257 7.486 138 HD22 LEU 17 HD22 LEU 17 -8.472 -5.074 6.220 139 HD23 LEU 17 HD23 LEU 17 -10.124 -5.622 6.484 140 H ASN 18 H ASN 18 -13.210 -3.256 10.069 141 HA ASN 18 HA ASN 18 -14.169 -5.126 12.032 142 HB2 ASN 18 HB2 ASN 18 -15.089 -2.269 11.529 143 HB3 ASN 18 HB3 ASN 18 -15.375 -3.209 12.989 144 HD21 ASN 18 HD21 ASN 18 -12.620 -4.314 13.042 145 HD22 ASN 18 HD22 ASN 18 -11.622 -2.997 13.531 146 H GLU 19 H GLU 19 -15.466 -3.890 8.996 147 HA GLU 19 HA GLU 19 -18.158 -4.811 9.237 148 HB2 GLU 19 HB2 GLU 19 -16.462 -4.738 6.694 149 HB3 GLU 19 HB3 GLU 19 -18.220 -4.786 6.773 150 HG2 GLU 19 HG2 GLU 19 -16.492 -2.489 7.744 151 HG3 GLU 19 HG3 GLU 19 -17.284 -2.563 6.174 152 H ALA 20 H ALA 20 -15.354 -6.295 7.601 153 HA ALA 20 HA ALA 20 -15.615 -8.856 8.814 154 HB1 ALA 20 HB1 ALA 20 -17.494 -9.098 7.222 155 HB2 ALA 20 HB2 ALA 20 -16.178 -10.202 6.824 156 HB3 ALA 20 HB3 ALA 20 -16.413 -8.731 5.876 157 H ASP 21 H ASP 21 -13.524 -9.380 9.041 158 HA ASP 21 HA ASP 21 -11.480 -8.542 7.109 159 HB2 ASP 21 HB2 ASP 21 -9.849 -9.368 8.769 160 HB3 ASP 21 HB3 ASP 21 -10.982 -8.247 9.509 161 H GLY 22 H GLY 22 -9.736 -10.369 6.631 162 HA2 GLY 22 HA2 GLY 22 -9.299 -12.422 5.587 163 HA3 GLY 22 HA3 GLY 22 -10.906 -12.987 6.037 164 H ILE 23 H ILE 23 -9.392 -10.493 4.041 165 HA ILE 23 HA ILE 23 -10.917 -11.141 1.669 166 HB ILE 23 HB ILE 23 -12.544 -9.801 3.010 167 HG12 ILE 23 HG12 ILE 23 -11.581 -8.232 0.576 168 HG13 ILE 23 HG13 ILE 23 -12.583 -9.676 0.502 169 HG21 ILE 23 HG21 ILE 23 -12.177 -7.422 3.505 170 HG22 ILE 23 HG22 ILE 23 -10.537 -7.528 2.864 171 HG23 ILE 23 HG23 ILE 23 -10.978 -8.435 4.315 172 HD11 ILE 23 HD11 ILE 23 -13.363 -7.029 1.733 173 HD12 ILE 23 HD12 ILE 23 -14.371 -8.480 1.699 174 HD13 ILE 23 HD13 ILE 23 -13.914 -7.687 0.192 175 H SER 24 H SER 24 -10.053 -10.082 -0.209 176 HA SER 24 HA SER 24 -7.292 -9.171 0.056 177 HB2 SER 24 HB2 SER 24 -7.887 -10.821 -1.684 178 HB3 SER 24 HB3 SER 24 -8.981 -9.658 -2.431 179 HG SER 24 HG SER 24 -6.191 -9.195 -2.074 180 H ILE 25 H ILE 25 -6.518 -7.254 -1.161 181 HA ILE 25 HA ILE 25 -7.679 -4.934 -0.124 182 HB ILE 25 HB ILE 25 -5.606 -5.157 -2.345 183 HG12 ILE 25 HG12 ILE 25 -5.281 -4.801 0.671 184 HG13 ILE 25 HG13 ILE 25 -4.889 -6.246 -0.252 185 HG21 ILE 25 HG21 ILE 25 -6.278 -2.713 -0.661 186 HG22 ILE 25 HG22 ILE 25 -6.612 -2.910 -2.383 187 HG23 ILE 25 HG23 ILE 25 -4.946 -2.841 -1.814 188 HD11 ILE 25 HD11 ILE 25 -2.886 -5.046 0.343 189 HD12 ILE 25 HD12 ILE 25 -3.484 -3.577 -0.426 190 HD13 ILE 25 HD13 ILE 25 -3.103 -4.996 -1.406 191 HA PRO 26 HA PRO 26 -9.336 -3.611 -4.517 192 HB2 PRO 26 HB2 PRO 26 -9.728 -5.480 -6.491 193 HB3 PRO 26 HB3 PRO 26 -8.184 -4.644 -6.265 194 HG2 PRO 26 HG2 PRO 26 -9.014 -7.375 -5.276 195 HG3 PRO 26 HG3 PRO 26 -7.516 -6.901 -6.110 196 HD2 PRO 26 HD2 PRO 26 -7.606 -7.183 -3.421 197 HD3 PRO 26 HD3 PRO 26 -6.595 -5.938 -4.186 198 H GLU 27 H GLU 27 -10.339 -6.622 -3.080 199 HA GLU 27 HA GLU 27 -13.125 -6.547 -3.897 200 HB2 GLU 27 HB2 GLU 27 -11.695 -8.122 -1.702 201 HB3 GLU 27 HB3 GLU 27 -13.342 -8.430 -2.267 202 HG2 GLU 27 HG2 GLU 27 -10.792 -8.748 -3.891 203 HG3 GLU 27 HG3 GLU 27 -11.775 -10.051 -3.222 204 H LEU 28 H LEU 28 -11.202 -5.800 -1.110 205 HA LEU 28 HA LEU 28 -13.163 -4.824 0.675 206 HB2 LEU 28 HB2 LEU 28 -10.863 -5.647 1.210 207 HB3 LEU 28 HB3 LEU 28 -10.194 -4.233 0.409 208 HG LEU 28 HG LEU 28 -11.370 -2.808 2.114 209 HD11 LEU 28 HD11 LEU 28 -13.113 -4.328 2.848 210 HD12 LEU 28 HD12 LEU 28 -12.103 -3.892 4.223 211 HD13 LEU 28 HD13 LEU 28 -11.913 -5.469 3.462 212 HD21 LEU 28 HD21 LEU 28 -8.989 -3.320 2.250 213 HD22 LEU 28 HD22 LEU 28 -9.344 -4.792 3.160 214 HD23 LEU 28 HD23 LEU 28 -9.701 -3.209 3.864 215 H ALA 29 H ALA 29 -11.195 -3.324 -1.848 216 HA ALA 29 HA ALA 29 -11.654 -0.591 -1.420 217 HB1 ALA 29 HB1 ALA 29 -11.230 -2.020 -4.063 218 HB2 ALA 29 HB2 ALA 29 -9.953 -1.472 -2.973 219 HB3 ALA 29 HB3 ALA 29 -10.998 -0.294 -3.769 220 H ARG 30 H ARG 30 -13.644 -3.019 -2.987 221 HA ARG 30 HA ARG 30 -15.556 -1.355 -4.271 222 HB2 ARG 30 HB2 ARG 30 -15.974 -4.189 -3.241 223 HB3 ARG 30 HB3 ARG 30 -16.890 -3.385 -4.516 224 HG2 ARG 30 HG2 ARG 30 -14.872 -3.341 -5.938 225 HG3 ARG 30 HG3 ARG 30 -13.952 -4.128 -4.655 226 HD2 ARG 30 HD2 ARG 30 -15.631 -6.058 -4.836 227 HD3 ARG 30 HD3 ARG 30 -16.208 -5.288 -6.318 228 HE ARG 30 HE ARG 30 -13.685 -6.675 -5.900 229 HH11 ARG 30 HH11 ARG 30 -15.457 -4.628 -8.075 230 HH12 ARG 30 HH12 ARG 30 -14.473 -5.064 -9.425 231 HH21 ARG 30 HH21 ARG 30 -12.475 -7.213 -7.630 232 HH22 ARG 30 HH22 ARG 30 -12.812 -6.518 -9.177 233 H LYS 31 H LYS 31 -15.335 -2.698 -1.013 234 HA LYS 31 HA LYS 31 -17.954 -2.042 -0.079 235 HB2 LYS 31 HB2 LYS 31 -15.424 -2.347 1.603 236 HB3 LYS 31 HB3 LYS 31 -17.089 -2.494 2.164 237 HG2 LYS 31 HG2 LYS 31 -17.334 -4.529 0.714 238 HG3 LYS 31 HG3 LYS 31 -15.624 -4.389 0.303 239 HD2 LYS 31 HD2 LYS 31 -15.591 -5.969 2.039 240 HD3 LYS 31 HD3 LYS 31 -15.216 -4.473 2.890 241 HE2 LYS 31 HE2 LYS 31 -17.899 -5.905 2.807 242 HE3 LYS 31 HE3 LYS 31 -16.814 -5.786 4.186 243 HZ1 LYS 31 HZ1 LYS 31 -18.337 -3.566 2.935 244 HZ2 LYS 31 HZ2 LYS 31 -17.224 -3.371 4.191 245 HZ3 LYS 31 HZ3 LYS 31 -18.630 -4.274 4.440 246 H VAL 32 H VAL 32 -14.823 -0.388 0.080 247 HA VAL 32 HA VAL 32 -15.847 1.767 1.788 248 HB VAL 32 HB VAL 32 -13.456 2.494 1.901 249 HG11 VAL 32 HG11 VAL 32 -12.653 0.585 3.238 250 HG12 VAL 32 HG12 VAL 32 -13.919 -0.440 2.557 251 HG13 VAL 32 HG13 VAL 32 -14.348 0.938 3.575 252 HG21 VAL 32 HG21 VAL 32 -12.884 0.031 0.198 253 HG22 VAL 32 HG22 VAL 32 -11.671 1.056 0.971 254 HG23 VAL 32 HG23 VAL 32 -12.686 1.709 -0.314 255 H ASN 33 H ASN 33 -15.665 1.311 -1.522 256 HA ASN 33 HA ASN 33 -15.980 2.617 -3.355 257 HB2 ASN 33 HB2 ASN 33 -17.710 3.739 -1.979 258 HB3 ASN 33 HB3 ASN 33 -16.510 4.822 -1.302 259 HD21 ASN 33 HD21 ASN 33 -15.813 6.580 -2.536 260 HD22 ASN 33 HD22 ASN 33 -16.602 7.077 -3.987 261 H LEU 34 H LEU 34 -13.293 2.657 -1.636 262 HA LEU 34 HA LEU 34 -11.894 4.945 -2.850 263 HB2 LEU 34 HB2 LEU 34 -10.773 2.792 -1.002 264 HB3 LEU 34 HB3 LEU 34 -9.992 4.302 -1.447 265 HG LEU 34 HG LEU 34 -12.498 4.044 0.263 266 HD11 LEU 34 HD11 LEU 34 -11.072 4.785 2.128 267 HD12 LEU 34 HD12 LEU 34 -9.656 4.730 1.074 268 HD13 LEU 34 HD13 LEU 34 -10.535 3.246 1.454 269 HD21 LEU 34 HD21 LEU 34 -12.248 6.465 0.685 270 HD22 LEU 34 HD22 LEU 34 -12.554 6.124 -1.015 271 HD23 LEU 34 HD23 LEU 34 -10.921 6.534 -0.479 272 H SER 35 H SER 35 -9.996 4.646 -4.175 273 HA SER 35 HA SER 35 -9.884 2.538 -6.038 274 HB2 SER 35 HB2 SER 35 -8.809 4.676 -6.512 275 HB3 SER 35 HB3 SER 35 -7.712 4.489 -5.147 276 HG SER 35 HG SER 35 -7.417 3.640 -7.662 277 H VAL 36 H VAL 36 -8.474 0.724 -6.232 278 HA VAL 36 HA VAL 36 -7.793 -0.861 -4.046 279 HB VAL 36 HB VAL 36 -6.302 -0.815 -6.714 280 HG11 VAL 36 HG11 VAL 36 -6.662 -3.106 -4.737 281 HG12 VAL 36 HG12 VAL 36 -5.167 -2.217 -5.041 282 HG13 VAL 36 HG13 VAL 36 -5.865 -3.220 -6.310 283 HG21 VAL 36 HG21 VAL 36 -7.946 -2.471 -7.535 284 HG22 VAL 36 HG22 VAL 36 -8.718 -0.938 -7.132 285 HG23 VAL 36 HG23 VAL 36 -8.863 -2.311 -6.034 286 H GLU 37 H GLU 37 -5.820 1.469 -5.795 287 HA GLU 37 HA GLU 37 -3.356 1.197 -4.429 288 HB2 GLU 37 HB2 GLU 37 -4.445 3.695 -5.787 289 HB3 GLU 37 HB3 GLU 37 -2.748 3.288 -5.525 290 HG2 GLU 37 HG2 GLU 37 -2.969 1.381 -7.085 291 HG3 GLU 37 HG3 GLU 37 -4.668 1.782 -7.333 292 H SER 38 H SER 38 -6.160 3.309 -3.846 293 HA SER 38 HA SER 38 -5.037 4.925 -1.772 294 HB2 SER 38 HB2 SER 38 -7.019 5.613 -3.123 295 HB3 SER 38 HB3 SER 38 -7.972 4.337 -2.366 296 HG SER 38 HG SER 38 -8.190 5.531 -0.640 297 H THR 39 H THR 39 -7.035 2.003 -1.758 298 HA THR 39 HA THR 39 -7.409 1.711 1.036 299 HB THR 39 HB THR 39 -7.483 -0.382 -1.188 300 HG1 THR 39 HG1 THR 39 -9.878 0.032 -0.618 301 HG21 THR 39 HG21 THR 39 -7.270 -1.512 1.001 302 HG22 THR 39 HG22 THR 39 -8.887 -1.743 0.333 303 HG23 THR 39 HG23 THR 39 -8.628 -0.573 1.628 304 H ALA 40 H ALA 40 -5.075 0.193 -1.213 305 HA ALA 40 HA ALA 40 -3.647 -1.403 0.620 306 HB1 ALA 40 HB1 ALA 40 -2.664 -0.174 -1.978 307 HB2 ALA 40 HB2 ALA 40 -3.529 -1.702 -1.821 308 HB3 ALA 40 HB3 ALA 40 -1.915 -1.533 -1.130 309 H LEU 41 H LEU 41 -3.038 1.922 -0.499 310 HA LEU 41 HA LEU 41 -0.578 2.446 0.747 311 HB2 LEU 41 HB2 LEU 41 -2.150 3.838 -0.928 312 HB3 LEU 41 HB3 LEU 41 -2.682 4.600 0.548 313 HG LEU 41 HG LEU 41 -0.094 4.864 -0.940 314 HD11 LEU 41 HD11 LEU 41 -1.791 6.573 -1.134 315 HD12 LEU 41 HD12 LEU 41 -0.354 7.228 -0.354 316 HD13 LEU 41 HD13 LEU 41 -1.783 6.832 0.613 317 HD21 LEU 41 HD21 LEU 41 -0.165 5.211 2.073 318 HD22 LEU 41 HD22 LEU 41 1.124 5.773 1.003 319 HD23 LEU 41 HD23 LEU 41 0.800 4.050 1.156 320 H ALA 42 H ALA 42 -3.886 3.031 1.891 321 HA ALA 42 HA ALA 42 -3.344 4.162 4.412 322 HB1 ALA 42 HB1 ALA 42 -5.707 3.672 4.893 323 HB2 ALA 42 HB2 ALA 42 -5.776 2.604 3.487 324 HB3 ALA 42 HB3 ALA 42 -5.504 4.335 3.271 325 H VAL 43 H VAL 43 -3.602 0.791 3.387 326 HA VAL 43 HA VAL 43 -3.572 -0.465 5.952 327 HB VAL 43 HB VAL 43 -2.670 -1.492 3.223 328 HG11 VAL 43 HG11 VAL 43 -2.973 -3.119 5.777 329 HG12 VAL 43 HG12 VAL 43 -1.464 -2.788 4.925 330 HG13 VAL 43 HG13 VAL 43 -2.703 -3.786 4.166 331 HG21 VAL 43 HG21 VAL 43 -5.087 -1.034 3.382 332 HG22 VAL 43 HG22 VAL 43 -5.205 -2.059 4.812 333 HG23 VAL 43 HG23 VAL 43 -4.791 -2.768 3.249 334 H GLY 44 H GLY 44 -0.940 0.526 3.745 335 HA2 GLY 44 HA2 GLY 44 1.271 -0.430 5.245 336 HA3 GLY 44 HA3 GLY 44 1.312 0.872 4.064 337 H TRP 45 H TRP 45 -0.639 2.520 5.535 338 HA TRP 45 HA TRP 45 1.058 3.876 7.420 339 HB2 TRP 45 HB2 TRP 45 -0.564 5.086 5.989 340 HB3 TRP 45 HB3 TRP 45 -1.900 4.272 6.798 341 HD1 TRP 45 HD1 TRP 45 -2.919 5.569 8.827 342 HE1 TRP 45 HE1 TRP 45 -2.203 7.590 10.245 343 HE3 TRP 45 HE3 TRP 45 1.816 6.267 6.968 344 HZ2 TRP 45 HZ2 TRP 45 0.036 9.266 10.537 345 HZ3 TRP 45 HZ3 TRP 45 3.179 8.111 7.876 346 HH2 TRP 45 HH2 TRP 45 2.302 9.580 9.628 347 H LEU 46 H LEU 46 -1.896 1.875 7.723 348 HA LEU 46 HA LEU 46 -2.160 1.938 10.543 349 HB2 LEU 46 HB2 LEU 46 -3.028 -0.143 8.515 350 HB3 LEU 46 HB3 LEU 46 -3.472 -0.221 10.214 351 HG LEU 46 HG LEU 46 -4.236 2.056 8.337 352 HD11 LEU 46 HD11 LEU 46 -5.367 -0.004 7.679 353 HD12 LEU 46 HD12 LEU 46 -6.505 1.144 8.383 354 HD13 LEU 46 HD13 LEU 46 -5.950 -0.238 9.332 355 HD21 LEU 46 HD21 LEU 46 -5.758 2.759 10.137 356 HD22 LEU 46 HD22 LEU 46 -4.079 2.789 10.668 357 HD23 LEU 46 HD23 LEU 46 -5.138 1.472 11.178 358 H ALA 47 H ALA 47 -0.241 -0.106 8.428 359 HA ALA 47 HA ALA 47 0.761 -2.013 10.184 360 HB1 ALA 47 HB1 ALA 47 2.601 -2.280 8.580 361 HB2 ALA 47 HB2 ALA 47 2.191 -0.732 7.837 362 HB3 ALA 47 HB3 ALA 47 1.057 -2.080 7.745 363 H ARG 48 H ARG 48 1.578 1.407 10.074 364 HA ARG 48 HA ARG 48 4.143 1.280 11.371 365 HB2 ARG 48 HB2 ARG 48 3.301 3.246 9.995 366 HB3 ARG 48 HB3 ARG 48 2.177 3.617 11.298 367 HG2 ARG 48 HG2 ARG 48 4.195 3.896 12.824 368 HG3 ARG 48 HG3 ARG 48 5.214 3.751 11.388 369 HD2 ARG 48 HD2 ARG 48 4.887 6.110 11.937 370 HD3 ARG 48 HD3 ARG 48 4.068 5.748 10.413 371 HE ARG 48 HE ARG 48 2.095 5.414 12.193 372 HH11 ARG 48 HH11 ARG 48 4.242 8.101 11.767 373 HH12 ARG 48 HH12 ARG 48 3.100 9.211 12.427 374 HH21 ARG 48 HH21 ARG 48 0.719 6.838 13.034 375 HH22 ARG 48 HH22 ARG 48 1.143 8.512 13.137 376 H GLU 49 H GLU 49 0.795 1.769 12.415 377 HA GLU 49 HA GLU 49 1.438 1.577 15.275 378 HB2 GLU 49 HB2 GLU 49 -1.081 2.222 13.708 379 HB3 GLU 49 HB3 GLU 49 -1.180 1.814 15.413 380 HG2 GLU 49 HG2 GLU 49 -1.205 4.227 15.091 381 HG3 GLU 49 HG3 GLU 49 0.215 3.713 15.990 382 H ASN 50 H ASN 50 1.294 -0.648 12.977 383 HA ASN 50 HA ASN 50 0.919 -2.858 12.761 384 HB2 ASN 50 HB2 ASN 50 1.026 -2.801 15.807 385 HB3 ASN 50 HB3 ASN 50 1.163 -4.258 14.823 386 HD21 ASN 50 HD21 ASN 50 2.791 -1.394 15.926 387 HD22 ASN 50 HD22 ASN 50 4.351 -1.801 15.306 388 H LYS 51 H LYS 51 -1.503 -1.122 12.980 389 HA LYS 51 HA LYS 51 -3.574 -2.537 14.364 390 HB2 LYS 51 HB2 LYS 51 -3.748 -0.345 12.256 391 HB3 LYS 51 HB3 LYS 51 -5.099 -0.912 13.242 392 HG2 LYS 51 HG2 LYS 51 -3.934 -0.147 15.281 393 HG3 LYS 51 HG3 LYS 51 -2.578 0.407 14.298 394 HD2 LYS 51 HD2 LYS 51 -3.994 2.297 14.914 395 HD3 LYS 51 HD3 LYS 51 -4.068 2.040 13.169 396 HE2 LYS 51 HE2 LYS 51 -6.257 0.942 13.404 397 HE3 LYS 51 HE3 LYS 51 -6.165 1.087 15.161 398 HZ1 LYS 51 HZ1 LYS 51 -6.270 3.345 13.236 399 HZ2 LYS 51 HZ2 LYS 51 -6.174 3.491 14.919 400 HZ3 LYS 51 HZ3 LYS 51 -7.543 2.802 14.207 401 H VAL 52 H VAL 52 -2.076 -3.189 11.396 402 HA VAL 52 HA VAL 52 -4.350 -4.878 10.512 403 HB VAL 52 HB VAL 52 -3.378 -4.676 8.150 404 HG11 VAL 52 HG11 VAL 52 -4.495 -2.520 7.677 405 HG12 VAL 52 HG12 VAL 52 -4.511 -2.148 9.404 406 HG13 VAL 52 HG13 VAL 52 -5.443 -3.514 8.788 407 HG21 VAL 52 HG21 VAL 52 -1.884 -2.313 9.367 408 HG22 VAL 52 HG22 VAL 52 -1.980 -2.691 7.644 409 HG23 VAL 52 HG23 VAL 52 -1.147 -3.792 8.743 410 H VAL 53 H VAL 53 -3.950 -6.954 10.006 411 HA VAL 53 HA VAL 53 -1.199 -8.041 10.222 412 HB VAL 53 HB VAL 53 -3.859 -9.539 10.482 413 HG11 VAL 53 HG11 VAL 53 -2.503 -11.435 11.324 414 HG12 VAL 53 HG12 VAL 53 -1.026 -10.513 11.036 415 HG13 VAL 53 HG13 VAL 53 -2.041 -10.998 9.676 416 HG21 VAL 53 HG21 VAL 53 -3.570 -8.003 12.390 417 HG22 VAL 53 HG22 VAL 53 -1.971 -8.679 12.714 418 HG23 VAL 53 HG23 VAL 53 -3.410 -9.683 12.911 419 H ILE 54 H ILE 54 -0.372 -8.116 8.147 420 HA ILE 54 HA ILE 54 -2.076 -8.775 5.854 421 HB ILE 54 HB ILE 54 0.886 -8.016 5.937 422 HG12 ILE 54 HG12 ILE 54 0.036 -5.960 4.623 423 HG13 ILE 54 HG13 ILE 54 -1.589 -6.455 5.075 424 HG21 ILE 54 HG21 ILE 54 0.537 -9.554 4.058 425 HG22 ILE 54 HG22 ILE 54 0.806 -7.920 3.449 426 HG23 ILE 54 HG23 ILE 54 -0.827 -8.589 3.484 427 HD11 ILE 54 HD11 ILE 54 0.615 -5.681 6.980 428 HD12 ILE 54 HD12 ILE 54 -1.036 -6.131 7.423 429 HD13 ILE 54 HD13 ILE 54 -0.742 -4.672 6.479 430 H GLU 55 H GLU 55 -2.339 -10.814 5.213 431 HA GLU 55 HA GLU 55 -0.230 -12.854 5.700 432 HB2 GLU 55 HB2 GLU 55 -3.118 -12.907 6.230 433 HB3 GLU 55 HB3 GLU 55 -2.702 -14.195 5.113 434 HG2 GLU 55 HG2 GLU 55 -1.300 -13.779 7.769 435 HG3 GLU 55 HG3 GLU 55 -2.712 -14.811 7.567 436 H ARG 56 H ARG 56 0.267 -14.287 3.979 437 HA ARG 56 HA ARG 56 -0.719 -13.474 1.289 438 HB2 ARG 56 HB2 ARG 56 2.057 -14.499 2.005 439 HB3 ARG 56 HB3 ARG 56 1.496 -14.073 0.386 440 HG2 ARG 56 HG2 ARG 56 1.138 -11.717 1.210 441 HG3 ARG 56 HG3 ARG 56 1.890 -12.192 2.737 442 HD2 ARG 56 HD2 ARG 56 3.547 -11.107 1.348 443 HD3 ARG 56 HD3 ARG 56 3.950 -12.820 1.471 444 HE ARG 56 HE ARG 56 3.108 -13.132 -0.767 445 HH11 ARG 56 HH11 ARG 56 3.563 -9.816 0.125 446 HH12 ARG 56 HH12 ARG 56 3.667 -9.289 -1.512 447 HH21 ARG 56 HH21 ARG 56 3.213 -12.410 -2.839 448 HH22 ARG 56 HH22 ARG 56 3.465 -10.733 -3.161 449 H LYS 57 H LYS 57 -2.005 -14.999 0.476 450 HA LYS 57 HA LYS 57 -1.382 -17.884 0.860 451 HB2 LYS 57 HB2 LYS 57 -4.042 -16.439 0.525 452 HB3 LYS 57 HB3 LYS 57 -3.891 -18.157 0.186 453 HG2 LYS 57 HG2 LYS 57 -4.742 -18.057 2.372 454 HG3 LYS 57 HG3 LYS 57 -3.029 -18.426 2.577 455 HD2 LYS 57 HD2 LYS 57 -2.609 -16.015 3.100 456 HD3 LYS 57 HD3 LYS 57 -4.338 -15.697 2.940 457 HE2 LYS 57 HE2 LYS 57 -3.756 -15.927 5.299 458 HE3 LYS 57 HE3 LYS 57 -4.771 -17.288 4.814 459 HZ1 LYS 57 HZ1 LYS 57 -1.803 -17.358 5.004 460 HZ2 LYS 57 HZ2 LYS 57 -2.815 -18.668 4.655 461 HZ3 LYS 57 HZ3 LYS 57 -2.860 -17.949 6.179 462 H ASN 58 H ASN 58 -0.409 -18.686 -0.926 463 HA ASN 58 HA ASN 58 0.352 -19.033 -3.034 464 HB2 ASN 58 HB2 ASN 58 -2.513 -18.292 -3.764 465 HB3 ASN 58 HB3 ASN 58 -1.368 -19.022 -4.887 466 HD21 ASN 58 HD21 ASN 58 -3.960 -19.944 -3.704 467 HD22 ASN 58 HD22 ASN 58 -3.619 -21.513 -3.090 468 H GLY 59 H GLY 59 0.800 -16.338 -1.978 469 HA2 GLY 59 HA2 GLY 59 1.909 -14.468 -2.832 470 HA3 GLY 59 HA3 GLY 59 1.374 -14.877 -4.450 471 H LEU 60 H LEU 60 -1.448 -15.071 -2.943 472 HA LEU 60 HA LEU 60 -2.359 -12.458 -3.767 473 HB2 LEU 60 HB2 LEU 60 -3.797 -14.829 -2.499 474 HB3 LEU 60 HB3 LEU 60 -4.613 -13.315 -2.839 475 HG LEU 60 HG LEU 60 -5.172 -14.837 -4.594 476 HD11 LEU 60 HD11 LEU 60 -4.804 -12.559 -5.335 477 HD12 LEU 60 HD12 LEU 60 -4.385 -13.706 -6.603 478 HD13 LEU 60 HD13 LEU 60 -3.109 -12.913 -5.676 479 HD21 LEU 60 HD21 LEU 60 -3.558 -16.000 -6.014 480 HD22 LEU 60 HD22 LEU 60 -3.368 -16.465 -4.325 481 HD23 LEU 60 HD23 LEU 60 -2.220 -15.344 -5.060 482 H ILE 61 H ILE 61 -2.900 -10.714 -2.501 483 HA ILE 61 HA ILE 61 -1.778 -10.714 0.194 484 HB ILE 61 HB ILE 61 -2.731 -8.343 -1.484 485 HG12 ILE 61 HG12 ILE 61 -0.199 -7.799 -1.528 486 HG13 ILE 61 HG13 ILE 61 0.077 -9.428 -0.933 487 HG21 ILE 61 HG21 ILE 61 -1.279 -8.343 1.196 488 HG22 ILE 61 HG22 ILE 61 -2.950 -7.848 0.916 489 HG23 ILE 61 HG23 ILE 61 -1.628 -6.911 0.220 490 HD11 ILE 61 HD11 ILE 61 -1.218 -8.710 -3.564 491 HD12 ILE 61 HD12 ILE 61 -0.870 -10.342 -2.985 492 HD13 ILE 61 HD13 ILE 61 0.451 -9.226 -3.329 493 H GLU 62 H GLU 62 -3.069 -11.307 1.750 494 HA GLU 62 HA GLU 62 -5.879 -10.458 2.006 495 HB2 GLU 62 HB2 GLU 62 -4.120 -12.427 3.537 496 HB3 GLU 62 HB3 GLU 62 -5.708 -11.949 4.122 497 HG2 GLU 62 HG2 GLU 62 -5.275 -13.204 1.403 498 HG3 GLU 62 HG3 GLU 62 -5.545 -14.159 2.859 499 H ILE 63 H ILE 63 -6.427 -8.850 3.461 500 HA ILE 63 HA ILE 63 -4.443 -8.080 5.521 501 HB ILE 63 HB ILE 63 -5.210 -5.759 5.513 502 HG12 ILE 63 HG12 ILE 63 -7.556 -6.165 4.630 503 HG13 ILE 63 HG13 ILE 63 -6.737 -4.784 3.920 504 HG21 ILE 63 HG21 ILE 63 -3.274 -6.293 4.145 505 HG22 ILE 63 HG22 ILE 63 -4.209 -5.012 3.373 506 HG23 ILE 63 HG23 ILE 63 -4.305 -6.667 2.759 507 HD11 ILE 63 HD11 ILE 63 -7.057 -7.481 2.619 508 HD12 ILE 63 HD12 ILE 63 -6.319 -6.050 1.896 509 HD13 ILE 63 HD13 ILE 63 -8.034 -6.050 2.298 510 H TYR 64 H TYR 64 -5.141 -7.822 7.520 511 HA TYR 64 HA TYR 64 -7.973 -8.341 8.241 512 HB2 TYR 64 HB2 TYR 64 -5.507 -9.499 9.636 513 HB3 TYR 64 HB3 TYR 64 -7.171 -9.733 10.147 514 HD1 TYR 64 HD1 TYR 64 -4.684 -10.606 7.512 515 HD2 TYR 64 HD2 TYR 64 -8.525 -11.480 9.154 516 HE1 TYR 64 HE1 TYR 64 -4.793 -12.654 6.173 517 HE2 TYR 64 HE2 TYR 64 -8.631 -13.529 7.811 518 HH TYR 64 HH TYR 64 -7.598 -14.330 5.606 519 H ASN 65 H ASN 65 -8.463 -7.593 10.501 520 HA ASN 65 HA ASN 65 -6.969 -5.215 11.338 521 HB2 ASN 65 HB2 ASN 65 -8.697 -5.074 13.155 522 HB3 ASN 65 HB3 ASN 65 -9.396 -5.075 11.543 523 HD21 ASN 65 HD21 ASN 65 -10.611 -5.772 14.110 524 HD22 ASN 65 HD22 ASN 65 -11.209 -7.378 13.927 525 H GLU 66 H GLU 66 -5.920 -5.051 13.393 526 HA GLU 66 HA GLU 66 -4.462 -7.336 14.224 527 HB2 GLU 66 HB2 GLU 66 -3.627 -4.975 14.408 528 HB3 GLU 66 HB3 GLU 66 -4.765 -4.693 15.717 529 HG2 GLU 66 HG2 GLU 66 -2.494 -5.098 16.560 530 HG3 GLU 66 HG3 GLU 66 -3.616 -6.339 17.115 531 H GLY 67 H GLY 67 -4.546 -8.494 16.201 532 HA2 GLY 67 HA2 GLY 67 -5.900 -8.844 18.325 533 HA3 GLY 67 HA3 GLY 67 -7.311 -8.773 17.276 534 H HIS 68 H HIS 68 -5.447 -10.193 15.201 535 HA HIS 68 HA HIS 68 -6.287 -12.875 15.682 536 HB2 HIS 68 HB2 HIS 68 -4.359 -11.673 13.671 537 HB3 HIS 68 HB3 HIS 68 -4.650 -13.408 13.739 538 HD1 HIS 68 HD1 HIS 68 -7.067 -14.232 13.142 539 HD2 HIS 68 HD2 HIS 68 -6.382 -10.200 12.453 540 HE1 HIS 68 HE1 HIS 68 -8.950 -13.483 11.673 541 HE2 HIS 68 HE2 HIS 68 -8.628 -11.002 11.450 542 H PHE 69 H PHE 69 -3.193 -11.239 16.307 543 HA PHE 69 HA PHE 69 -1.872 -13.562 17.385 544 HB2 PHE 69 HB2 PHE 69 -1.292 -10.585 17.729 545 HB3 PHE 69 HB3 PHE 69 -0.248 -11.869 18.330 546 HD1 PHE 69 HD2 PHE 69 0.967 -13.360 16.713 547 HD2 PHE 69 HD1 PHE 69 -1.266 -9.970 15.371 548 HE1 PHE 69 HE2 PHE 69 2.111 -13.457 14.539 549 HE2 PHE 69 HE1 PHE 69 -0.119 -10.072 13.202 550 HZ PHE 69 HZ PHE 69 1.570 -11.816 12.781 551 H ASP 70 H ASP 70 -1.435 -13.992 19.656 552 HA ASP 70 HA ASP 70 -3.756 -13.764 21.309 553 HB2 ASP 70 HB2 ASP 70 -2.473 -15.055 22.975 554 HB3 ASP 70 HB3 ASP 70 -2.315 -15.763 21.373 555 H PHE 71 H PHE 71 -0.472 -12.380 21.636 556 HA PHE 71 HA PHE 71 -1.589 -10.077 23.116 557 HB2 PHE 71 HB2 PHE 71 -0.486 -11.534 24.794 558 HB3 PHE 71 HB3 PHE 71 0.996 -11.547 23.843 559 HD1 PHE 71 HD2 PHE 71 -1.363 -9.082 25.444 560 HD2 PHE 71 HD1 PHE 71 2.698 -10.024 24.469 561 HE1 PHE 71 HE2 PHE 71 -0.606 -7.055 26.605 562 HE2 PHE 71 HE1 PHE 71 3.443 -7.991 25.637 563 HZ PHE 71 HZ PHE 71 1.793 -6.503 26.702 564 H SER 72 H SER 72 -1.531 -8.741 21.372 565 HA SER 72 HA SER 72 0.639 -8.570 19.508 566 HB2 SER 72 HB2 SER 72 -1.669 -6.634 19.980 567 HB3 SER 72 HB3 SER 72 -0.595 -6.638 18.576 568 HG SER 72 HG SER 72 -1.638 -8.282 17.773 569 H PHE 73 H PHE 73 2.577 -7.853 20.151 570 HA PHE 73 HA PHE 73 3.088 -5.993 22.256 571 HB2 PHE 73 HB2 PHE 73 4.898 -6.970 19.999 572 HB3 PHE 73 HB3 PHE 73 5.451 -6.056 21.398 573 HD1 PHE 73 HD2 PHE 73 4.232 -9.353 20.232 574 HD2 PHE 73 HD1 PHE 73 5.635 -7.127 23.610 575 HE1 PHE 73 HE2 PHE 73 4.564 -11.447 21.487 576 HE2 PHE 73 HE1 PHE 73 5.962 -9.225 24.850 577 HZ PHE 73 HZ PHE 73 5.428 -11.383 23.792 578 H GLY 74 H GLY 74 2.234 -3.983 22.021 579 HA2 GLY 74 HA2 GLY 74 2.895 -2.383 19.592 580 HA3 GLY 74 HA3 GLY 74 1.388 -2.232 20.479 581 H LEU 75 H LEU 75 4.401 -2.644 22.174 582 HA LEU 75 HA LEU 75 4.061 -0.082 23.519 583 HB2 LEU 75 HB2 LEU 75 6.011 -2.374 24.009 584 HB3 LEU 75 HB3 LEU 75 6.014 -0.883 24.934 585 HG LEU 75 HG LEU 75 3.628 -1.438 25.658 586 HD11 LEU 75 HD11 LEU 75 3.012 -3.056 23.932 587 HD12 LEU 75 HD12 LEU 75 2.854 -3.759 25.540 588 HD13 LEU 75 HD13 LEU 75 4.235 -4.184 24.526 589 HD21 LEU 75 HD21 LEU 75 5.532 -1.742 27.171 590 HD22 LEU 75 HD22 LEU 75 5.813 -3.361 26.527 591 HD23 LEU 75 HD23 LEU 75 4.332 -3.010 27.421 592 H GLU 76 H GLU 76 5.370 1.653 23.291 593 HA GLU 76 HA GLU 76 7.046 2.066 21.068 594 HB2 GLU 76 HB2 GLU 76 7.750 4.171 22.245 595 HB3 GLU 76 HB3 GLU 76 6.005 3.951 22.186 596 HG2 GLU 76 HG2 GLU 76 5.962 3.240 24.514 597 HG3 GLU 76 HG3 GLU 76 7.723 3.282 24.594 598 H HIS 77 H HIS 77 9.285 2.040 20.766 599 HA HIS 77 HA HIS 77 10.834 0.299 22.498 600 HB2 HIS 77 HB2 HIS 77 10.908 0.262 19.946 601 HB3 HIS 77 HB3 HIS 77 11.778 1.791 20.012 602 HD1 HIS 77 HD1 HIS 77 12.164 -1.877 20.627 603 HD2 HIS 77 HD2 HIS 77 14.488 1.557 20.828 604 HE1 HIS 77 HE1 HIS 77 14.520 -2.681 20.857 605 HE2 HIS 77 HE2 HIS 77 15.915 -0.594 20.805 606 H HIS 78 H HIS 78 10.628 3.728 21.792 607 HA HIS 78 HA HIS 78 11.648 5.611 22.515 608 HB2 HIS 78 HB2 HIS 78 11.540 5.916 25.012 609 HB3 HIS 78 HB3 HIS 78 10.064 5.282 24.298 610 HD1 HIS 78 HD1 HIS 78 13.090 4.015 26.241 611 HD2 HIS 78 HD2 HIS 78 9.140 2.978 25.485 612 HE1 HIS 78 HE1 HIS 78 12.642 2.012 27.674 613 HE2 HIS 78 HE2 HIS 78 10.221 1.467 27.282 614 H HIS 79 H HIS 79 13.689 4.529 21.388 615 HA HIS 79 HA HIS 79 15.921 3.909 23.119 616 HB2 HIS 79 HB2 HIS 79 15.591 2.920 20.807 617 HB3 HIS 79 HB3 HIS 79 16.010 4.488 20.129 618 HD1 HIS 79 HD1 HIS 79 18.274 4.154 19.141 619 HD2 HIS 79 HD2 HIS 79 17.978 2.408 22.900 620 HE1 HIS 79 HE1 HIS 79 20.553 3.233 19.623 621 HE2 HIS 79 HE2 HIS 79 20.304 2.041 21.827 622 H HIS 80 H HIS 80 15.923 5.793 24.415 623 HA HIS 80 HA HIS 80 16.228 8.457 23.499 624 HB2 HIS 80 HB2 HIS 80 15.257 7.886 25.686 625 HB3 HIS 80 HB3 HIS 80 16.788 7.209 26.220 626 HD1 HIS 80 HD1 HIS 80 18.209 8.753 27.536 627 HD2 HIS 80 HD2 HIS 80 15.499 10.815 25.158 628 HE1 HIS 80 HE1 HIS 80 18.489 11.169 28.143 629 HE2 HIS 80 HE2 HIS 80 16.716 12.367 26.824 630 H HIS 81 H HIS 81 18.604 6.139 24.874 631 HA HIS 81 HA HIS 81 20.899 7.795 24.271 632 HB2 HIS 81 HB2 HIS 81 20.937 6.140 26.124 633 HB3 HIS 81 HB3 HIS 81 20.754 4.826 24.966 634 HD1 HIS 81 HD1 HIS 81 22.830 4.226 23.517 635 HD2 HIS 81 HD2 HIS 81 23.537 7.170 26.360 636 HE1 HIS 81 HE1 HIS 81 25.322 4.450 23.644 637 HE2 HIS 81 HE2 HIS 81 25.714 6.371 25.217 638 H HIS 82 H HIS 82 20.823 8.296 22.095 639 HA HIS 82 HA HIS 82 20.240 6.485 19.967 640 HB2 HIS 82 HB2 HIS 82 21.615 9.208 19.876 641 HB3 HIS 82 HB3 HIS 82 20.976 8.346 18.478 642 HD1 HIS 82 HD1 HIS 82 18.353 8.143 18.322 643 HD2 HIS 82 HD2 HIS 82 19.735 10.666 21.318 644 HE1 HIS 82 HE1 HIS 82 16.359 9.480 19.044 645 HE2 HIS 82 HE2 HIS 82 17.176 10.843 20.987 646 H1 MET 1 H MET 1 1.390 -12.480 6.372 647 HA MET 1 HA MET 1 1.074 -13.311 8.450 648 HB2 MET 1 HB2 MET 1 2.392 -15.269 9.225 649 HB3 MET 1 HB3 MET 1 1.751 -15.492 7.606 650 HG2 MET 1 HG2 MET 1 4.613 -14.736 8.250 651 HG3 MET 1 HG3 MET 1 4.052 -16.362 7.858 652 HE1 MET 1 HE1 MET 1 1.864 -15.481 5.444 653 HE2 MET 1 HE2 MET 1 2.889 -16.916 5.371 654 HE3 MET 1 HE3 MET 1 2.907 -15.753 4.047 655 H ASP 2 H ASP 2 4.303 -12.268 7.572 656 HA ASP 2 HA ASP 2 4.800 -11.251 10.319 657 HB2 ASP 2 HB2 ASP 2 6.762 -12.009 8.115 658 HB3 ASP 2 HB3 ASP 2 7.244 -11.129 9.563 659 H LYS 3 H LYS 3 5.681 -9.211 10.621 660 HA LYS 3 HA LYS 3 5.091 -7.085 8.739 661 HB2 LYS 3 HB2 LYS 3 6.604 -7.026 11.392 662 HB3 LYS 3 HB3 LYS 3 6.048 -5.606 10.510 663 HG2 LYS 3 HG2 LYS 3 4.200 -7.747 11.632 664 HG3 LYS 3 HG3 LYS 3 4.619 -6.258 12.483 665 HD2 LYS 3 HD2 LYS 3 3.543 -4.902 10.774 666 HD3 LYS 3 HD3 LYS 3 3.284 -6.315 9.746 667 HE2 LYS 3 HE2 LYS 3 1.226 -5.561 10.947 668 HE3 LYS 3 HE3 LYS 3 1.668 -7.229 11.301 669 HZ1 LYS 3 HZ1 LYS 3 2.588 -6.526 13.396 670 HZ2 LYS 3 HZ2 LYS 3 0.988 -5.987 13.284 671 HZ3 LYS 3 HZ3 LYS 3 2.272 -4.906 13.049 672 H LYS 4 H LYS 4 7.623 -9.275 9.018 673 HA LYS 4 HA LYS 4 9.834 -7.673 8.100 674 HB2 LYS 4 HB2 LYS 4 9.483 -10.701 8.011 675 HB3 LYS 4 HB3 LYS 4 11.001 -9.818 7.822 676 HG2 LYS 4 HG2 LYS 4 10.713 -8.944 10.158 677 HG3 LYS 4 HG3 LYS 4 9.297 -9.987 10.331 678 HD2 LYS 4 HD2 LYS 4 10.723 -11.979 9.973 679 HD3 LYS 4 HD3 LYS 4 12.132 -10.935 9.751 680 HE2 LYS 4 HE2 LYS 4 10.510 -11.235 12.308 681 HE3 LYS 4 HE3 LYS 4 12.128 -11.869 12.010 682 HZ1 LYS 4 HZ1 LYS 4 11.360 -9.000 12.160 683 HZ2 LYS 4 HZ2 LYS 4 12.899 -9.557 11.738 684 HZ3 LYS 4 HZ3 LYS 4 12.285 -9.865 13.282 685 H ILE 5 H ILE 5 7.262 -9.507 6.548 686 HA ILE 5 HA ILE 5 8.223 -9.786 3.924 687 HB ILE 5 HB ILE 5 5.347 -9.189 4.766 688 HG12 ILE 5 HG12 ILE 5 6.671 -11.909 4.364 689 HG13 ILE 5 HG13 ILE 5 6.300 -11.190 5.930 690 HG21 ILE 5 HG21 ILE 5 6.371 -10.467 2.200 691 HG22 ILE 5 HG22 ILE 5 5.662 -8.859 2.348 692 HG23 ILE 5 HG23 ILE 5 4.673 -10.286 2.650 693 HD11 ILE 5 HD11 ILE 5 3.905 -11.238 5.360 694 HD12 ILE 5 HD12 ILE 5 4.647 -12.833 5.340 695 HD13 ILE 5 HD13 ILE 5 4.301 -12.012 3.822 696 H VAL 6 H VAL 6 6.201 -7.185 5.282 697 HA VAL 6 HA VAL 6 6.122 -5.545 2.984 698 HB VAL 6 HB VAL 6 5.133 -3.822 4.437 699 HG11 VAL 6 HG11 VAL 6 3.226 -5.131 5.333 700 HG12 VAL 6 HG12 VAL 6 4.156 -6.620 5.147 701 HG13 VAL 6 HG13 VAL 6 3.692 -5.684 3.724 702 HG21 VAL 6 HG21 VAL 6 6.617 -4.001 6.404 703 HG22 VAL 6 HG22 VAL 6 5.940 -5.583 6.793 704 HG23 VAL 6 HG23 VAL 6 4.927 -4.141 6.895 705 H GLY 7 H GLY 7 8.442 -5.731 5.629 706 HA2 GLY 7 HA2 GLY 7 9.927 -3.352 5.066 707 HA3 GLY 7 HA3 GLY 7 10.486 -4.740 5.984 708 H ALA 8 H ALA 8 10.387 -6.764 4.136 709 HA ALA 8 HA ALA 8 12.776 -6.458 2.641 710 HB1 ALA 8 HB1 ALA 8 10.641 -8.612 2.418 711 HB2 ALA 8 HB2 ALA 8 12.012 -8.627 3.530 712 HB3 ALA 8 HB3 ALA 8 12.292 -8.722 1.791 713 H ASN 9 H ASN 9 9.347 -6.415 1.653 714 HA ASN 9 HA ASN 9 9.707 -6.090 -1.145 715 HB2 ASN 9 HB2 ASN 9 7.387 -5.187 0.619 716 HB3 ASN 9 HB3 ASN 9 7.349 -5.212 -1.140 717 HD21 ASN 9 HD21 ASN 9 5.583 -6.565 0.648 718 HD22 ASN 9 HD22 ASN 9 5.740 -8.254 0.332 719 H ALA 10 H ALA 10 9.427 -3.762 1.545 720 HA ALA 10 HA ALA 10 9.144 -1.409 -0.050 721 HB1 ALA 10 HB1 ALA 10 9.933 -1.707 2.872 722 HB2 ALA 10 HB2 ALA 10 8.285 -1.578 2.256 723 HB3 ALA 10 HB3 ALA 10 9.393 -0.216 2.091 724 H GLY 11 H GLY 11 11.916 -3.095 1.367 725 HA2 GLY 11 HA2 GLY 11 13.910 -1.108 1.016 726 HA3 GLY 11 HA3 GLY 11 14.187 -2.839 1.128 727 H LYS 12 H LYS 12 12.806 -3.731 -1.123 728 HA LYS 12 HA LYS 12 14.658 -3.223 -3.247 729 HB2 LYS 12 HB2 LYS 12 13.565 -5.437 -2.867 730 HB3 LYS 12 HB3 LYS 12 12.014 -4.741 -3.326 731 HG2 LYS 12 HG2 LYS 12 12.804 -4.363 -5.598 732 HG3 LYS 12 HG3 LYS 12 14.431 -4.886 -5.157 733 HD2 LYS 12 HD2 LYS 12 13.542 -7.168 -4.684 734 HD3 LYS 12 HD3 LYS 12 11.935 -6.629 -5.189 735 HE2 LYS 12 HE2 LYS 12 13.053 -7.848 -7.004 736 HE3 LYS 12 HE3 LYS 12 12.810 -6.161 -7.458 737 HZ1 LYS 12 HZ1 LYS 12 15.127 -5.732 -6.880 738 HZ2 LYS 12 HZ2 LYS 12 15.002 -6.920 -8.073 739 HZ3 LYS 12 HZ3 LYS 12 15.346 -7.362 -6.481 740 H VAL 13 H VAL 13 11.271 -2.286 -2.663 741 HA VAL 13 HA VAL 13 10.756 -0.827 -5.026 742 HB VAL 13 HB VAL 13 9.597 -0.518 -2.219 743 HG11 VAL 13 HG11 VAL 13 9.270 1.611 -3.402 744 HG12 VAL 13 HG12 VAL 13 7.732 0.764 -3.246 745 HG13 VAL 13 HG13 VAL 13 8.586 0.760 -4.791 746 HG21 VAL 13 HG21 VAL 13 7.647 -1.744 -3.129 747 HG22 VAL 13 HG22 VAL 13 9.123 -2.699 -3.289 748 HG23 VAL 13 HG23 VAL 13 8.451 -1.874 -4.697 749 H TRP 14 H TRP 14 12.203 0.162 -1.939 750 HA TRP 14 HA TRP 14 12.413 2.943 -2.500 751 HB2 TRP 14 HB2 TRP 14 12.493 1.878 -0.181 752 HB3 TRP 14 HB3 TRP 14 14.158 1.421 -0.518 753 HD1 TRP 14 HD1 TRP 14 11.976 4.609 -0.043 754 HE1 TRP 14 HE1 TRP 14 13.513 6.532 0.694 755 HE3 TRP 14 HE3 TRP 14 16.470 2.258 -0.501 756 HZ2 TRP 14 HZ2 TRP 14 16.279 6.995 1.052 757 HZ3 TRP 14 HZ3 TRP 14 18.536 3.501 0.054 758 HH2 TRP 14 HH2 TRP 14 18.436 5.829 0.814 759 H HIS 15 H HIS 15 14.622 0.211 -3.110 760 HA HIS 15 HA HIS 15 16.858 1.672 -4.050 761 HB2 HIS 15 HB2 HIS 15 17.048 -0.747 -3.686 762 HB3 HIS 15 HB3 HIS 15 15.851 -1.068 -4.940 763 HD1 HIS 15 HD1 HIS 15 19.368 0.300 -4.557 764 HD2 HIS 15 HD2 HIS 15 16.915 -1.278 -7.513 765 HE1 HIS 15 HE1 HIS 15 20.815 0.107 -6.594 766 HE2 HIS 15 HE2 HIS 15 19.286 -0.753 -8.393 767 H ALA 16 H ALA 16 13.949 0.527 -5.782 768 HA ALA 16 HA ALA 16 14.682 1.532 -8.373 769 HB1 ALA 16 HB1 ALA 16 12.348 1.022 -8.991 770 HB2 ALA 16 HB2 ALA 16 11.942 0.790 -7.288 771 HB3 ALA 16 HB3 ALA 16 13.071 -0.308 -8.081 772 H LEU 17 H LEU 17 13.004 2.852 -5.616 773 HA LEU 17 HA LEU 17 12.048 5.298 -6.755 774 HB2 LEU 17 HB2 LEU 17 11.050 4.229 -4.777 775 HB3 LEU 17 HB3 LEU 17 12.549 4.372 -3.895 776 HG LEU 17 HG LEU 17 10.595 5.943 -3.285 777 HD11 LEU 17 HD11 LEU 17 12.038 7.776 -2.645 778 HD12 LEU 17 HD12 LEU 17 13.291 7.219 -3.760 779 HD13 LEU 17 HD13 LEU 17 12.835 6.225 -2.374 780 HD21 LEU 17 HD21 LEU 17 11.524 7.424 -5.754 781 HD22 LEU 17 HD22 LEU 17 10.381 8.015 -4.546 782 HD23 LEU 17 HD23 LEU 17 9.966 6.621 -5.535 783 H ASN 18 H ASN 18 15.042 4.274 -5.172 784 HA ASN 18 HA ASN 18 16.233 6.932 -5.070 785 HB2 ASN 18 HB2 ASN 18 16.733 5.123 -3.372 786 HB3 ASN 18 HB3 ASN 18 17.541 4.202 -4.633 787 HD21 ASN 18 HD21 ASN 18 17.720 7.717 -4.041 788 HD22 ASN 18 HD22 ASN 18 19.408 7.726 -3.696 789 H GLU 19 H GLU 19 15.982 4.354 -7.349 790 HA GLU 19 HA GLU 19 18.334 4.899 -8.926 791 HB2 GLU 19 HB2 GLU 19 17.069 2.665 -8.751 792 HB3 GLU 19 HB3 GLU 19 15.826 3.376 -9.768 793 HG2 GLU 19 HG2 GLU 19 17.227 2.040 -11.165 794 HG3 GLU 19 HG3 GLU 19 17.572 3.728 -11.542 795 H ALA 20 H ALA 20 14.840 5.237 -9.567 796 HA ALA 20 HA ALA 20 15.125 7.895 -10.718 797 HB1 ALA 20 HB1 ALA 20 15.569 6.452 -12.682 798 HB2 ALA 20 HB2 ALA 20 14.046 7.324 -12.864 799 HB3 ALA 20 HB3 ALA 20 14.038 5.615 -12.422 800 H ASP 21 H ASP 21 13.566 8.945 -9.582 801 HA ASP 21 HA ASP 21 11.203 7.521 -8.594 802 HB2 ASP 21 HB2 ASP 21 10.926 9.363 -7.071 803 HB3 ASP 21 HB3 ASP 21 12.621 8.901 -7.069 804 H GLY 22 H GLY 22 9.243 9.279 -8.341 805 HA2 GLY 22 HA2 GLY 22 7.421 10.185 -9.418 806 HA3 GLY 22 HA3 GLY 22 8.475 10.621 -10.760 807 H ILE 23 H ILE 23 7.397 7.545 -9.261 808 HA ILE 23 HA ILE 23 6.876 6.437 -11.966 809 HB ILE 23 HB ILE 23 9.001 5.579 -11.023 810 HG12 ILE 23 HG12 ILE 23 8.552 3.113 -11.265 811 HG13 ILE 23 HG13 ILE 23 6.823 3.439 -11.176 812 HG21 ILE 23 HG21 ILE 23 8.511 5.768 -8.626 813 HG22 ILE 23 HG22 ILE 23 9.079 4.145 -9.024 814 HG23 ILE 23 HG23 ILE 23 7.360 4.432 -8.739 815 HD11 ILE 23 HD11 ILE 23 7.594 3.074 -13.459 816 HD12 ILE 23 HD12 ILE 23 8.683 4.454 -13.328 817 HD13 ILE 23 HD13 ILE 23 6.934 4.694 -13.251 818 H SER 24 H SER 24 5.067 5.208 -12.269 819 HA SER 24 HA SER 24 2.860 5.347 -10.445 820 HB2 SER 24 HB2 SER 24 3.133 3.636 -12.961 821 HB3 SER 24 HB3 SER 24 1.625 4.121 -12.174 822 HG SER 24 HG SER 24 2.635 6.368 -12.591 823 H ILE 25 H ILE 25 1.882 3.667 -9.209 824 HA ILE 25 HA ILE 25 3.467 1.751 -7.977 825 HB ILE 25 HB ILE 25 0.431 1.737 -8.222 826 HG12 ILE 25 HG12 ILE 25 2.252 2.774 -6.004 827 HG13 ILE 25 HG13 ILE 25 1.305 3.757 -7.114 828 HG21 ILE 25 HG21 ILE 25 0.387 0.242 -6.246 829 HG22 ILE 25 HG22 ILE 25 2.145 0.116 -6.301 830 HG23 ILE 25 HG23 ILE 25 1.172 -0.525 -7.628 831 HD11 ILE 25 HD11 ILE 25 -0.765 2.855 -6.119 832 HD12 ILE 25 HD12 ILE 25 0.255 3.678 -4.941 833 HD13 ILE 25 HD13 ILE 25 0.207 1.915 -4.980 834 HA PRO 26 HA PRO 26 1.628 -1.869 -10.652 835 HB2 PRO 26 HB2 PRO 26 0.504 -1.401 -13.109 836 HB3 PRO 26 HB3 PRO 26 -0.431 -1.351 -11.607 837 HG2 PRO 26 HG2 PRO 26 0.801 0.942 -13.142 838 HG3 PRO 26 HG3 PRO 26 -0.849 0.797 -12.493 839 HD2 PRO 26 HD2 PRO 26 1.064 2.179 -11.164 840 HD3 PRO 26 HD3 PRO 26 -0.160 1.233 -10.286 841 H GLU 27 H GLU 27 3.274 0.779 -12.317 842 HA GLU 27 HA GLU 27 4.735 -0.896 -14.185 843 HB2 GLU 27 HB2 GLU 27 4.259 1.528 -14.623 844 HB3 GLU 27 HB3 GLU 27 5.294 1.958 -13.259 845 HG2 GLU 27 HG2 GLU 27 6.508 2.287 -15.333 846 HG3 GLU 27 HG3 GLU 27 7.241 0.966 -14.430 847 H LEU 28 H LEU 28 5.440 0.880 -11.249 848 HA LEU 28 HA LEU 28 8.040 0.127 -10.615 849 HB2 LEU 28 HB2 LEU 28 6.843 1.932 -9.547 850 HB3 LEU 28 HB3 LEU 28 5.602 0.839 -8.966 851 HG LEU 28 HG LEU 28 7.242 -0.156 -7.387 852 HD11 LEU 28 HD11 LEU 28 9.382 0.965 -6.943 853 HD12 LEU 28 HD12 LEU 28 9.125 2.028 -8.329 854 HD13 LEU 28 HD13 LEU 28 9.336 0.291 -8.572 855 HD21 LEU 28 HD21 LEU 28 5.690 1.600 -6.704 856 HD22 LEU 28 HD22 LEU 28 6.850 2.845 -7.182 857 HD23 LEU 28 HD23 LEU 28 7.220 1.761 -5.835 858 H ALA 29 H ALA 29 4.981 -1.543 -10.016 859 HA ALA 29 HA ALA 29 5.873 -3.674 -8.403 860 HB1 ALA 29 HB1 ALA 29 3.556 -3.631 -10.366 861 HB2 ALA 29 HB2 ALA 29 3.497 -3.090 -8.688 862 HB3 ALA 29 HB3 ALA 29 3.783 -4.792 -9.053 863 H ARG 30 H ARG 30 5.678 -3.354 -11.951 864 HA ARG 30 HA ARG 30 6.587 -5.969 -12.647 865 HB2 ARG 30 HB2 ARG 30 6.890 -3.395 -14.255 866 HB3 ARG 30 HB3 ARG 30 6.992 -5.039 -14.887 867 HG2 ARG 30 HG2 ARG 30 4.623 -5.407 -14.368 868 HG3 ARG 30 HG3 ARG 30 4.511 -3.791 -13.667 869 HD2 ARG 30 HD2 ARG 30 5.120 -2.844 -15.914 870 HD3 ARG 30 HD3 ARG 30 5.059 -4.485 -16.573 871 HE ARG 30 HE ARG 30 2.724 -3.158 -15.323 872 HH11 ARG 30 HH11 ARG 30 4.015 -5.099 -17.891 873 HH12 ARG 30 HH12 ARG 30 2.498 -5.196 -18.708 874 HH21 ARG 30 HH21 ARG 30 0.808 -3.309 -16.388 875 HH22 ARG 30 HH22 ARG 30 0.708 -4.201 -17.867 876 H LYS 31 H LYS 31 8.242 -2.879 -12.114 877 HA LYS 31 HA LYS 31 10.882 -3.572 -12.797 878 HB2 LYS 31 HB2 LYS 31 9.878 -1.550 -10.747 879 HB3 LYS 31 HB3 LYS 31 11.538 -1.629 -11.333 880 HG2 LYS 31 HG2 LYS 31 10.775 -1.082 -13.608 881 HG3 LYS 31 HG3 LYS 31 9.101 -1.054 -13.050 882 HD2 LYS 31 HD2 LYS 31 10.012 1.231 -13.267 883 HD3 LYS 31 HD3 LYS 31 9.592 0.869 -11.591 884 HE2 LYS 31 HE2 LYS 31 11.743 2.073 -11.745 885 HE3 LYS 31 HE3 LYS 31 11.971 0.457 -11.077 886 HZ1 LYS 31 HZ1 LYS 31 12.694 -0.287 -13.277 887 HZ2 LYS 31 HZ2 LYS 31 13.668 0.964 -12.692 888 HZ3 LYS 31 HZ3 LYS 31 12.511 1.284 -13.879 889 H VAL 32 H VAL 32 9.181 -3.769 -9.653 890 HA VAL 32 HA VAL 32 11.511 -4.993 -8.353 891 HB VAL 32 HB VAL 32 10.321 -4.764 -6.241 892 HG11 VAL 32 HG11 VAL 32 10.088 -2.221 -7.901 893 HG12 VAL 32 HG12 VAL 32 11.531 -2.788 -7.056 894 HG13 VAL 32 HG13 VAL 32 10.108 -2.299 -6.135 895 HG21 VAL 32 HG21 VAL 32 7.922 -3.793 -7.851 896 HG22 VAL 32 HG22 VAL 32 8.050 -3.744 -6.091 897 HG23 VAL 32 HG23 VAL 32 8.026 -5.295 -6.930 898 H ASN 33 H ASN 33 9.140 -6.206 -10.254 899 HA ASN 33 HA ASN 33 8.430 -8.285 -10.785 900 HB2 ASN 33 HB2 ASN 33 10.922 -8.698 -10.528 901 HB3 ASN 33 HB3 ASN 33 10.617 -9.284 -8.902 902 HD21 ASN 33 HD21 ASN 33 9.756 -11.365 -8.645 903 HD22 ASN 33 HD22 ASN 33 9.582 -12.467 -9.960 904 H LEU 34 H LEU 34 7.097 -6.951 -8.601 905 HA LEU 34 HA LEU 34 5.888 -9.244 -7.147 906 HB2 LEU 34 HB2 LEU 34 6.182 -6.369 -6.165 907 HB3 LEU 34 HB3 LEU 34 5.373 -7.664 -5.293 908 HG LEU 34 HG LEU 34 8.351 -7.566 -5.932 909 HD11 LEU 34 HD11 LEU 34 6.939 -7.129 -3.283 910 HD12 LEU 34 HD12 LEU 34 7.737 -5.894 -4.261 911 HD13 LEU 34 HD13 LEU 34 8.687 -7.187 -3.537 912 HD21 LEU 34 HD21 LEU 34 6.802 -9.595 -4.283 913 HD22 LEU 34 HD22 LEU 34 8.558 -9.533 -4.459 914 HD23 LEU 34 HD23 LEU 34 7.547 -9.878 -5.858 915 H SER 35 H SER 35 3.590 -8.777 -6.463 916 HA SER 35 HA SER 35 1.907 -7.910 -8.581 917 HB2 SER 35 HB2 SER 35 1.152 -8.358 -5.657 918 HB3 SER 35 HB3 SER 35 0.048 -8.357 -7.036 919 HG SER 35 HG SER 35 0.615 -10.333 -7.486 920 H VAL 36 H VAL 36 0.400 -6.132 -8.616 921 HA VAL 36 HA VAL 36 1.298 -3.575 -7.991 922 HB VAL 36 HB VAL 36 -1.594 -4.492 -8.321 923 HG11 VAL 36 HG11 VAL 36 -2.115 -2.144 -8.971 924 HG12 VAL 36 HG12 VAL 36 -0.477 -1.664 -8.521 925 HG13 VAL 36 HG13 VAL 36 -1.590 -2.273 -7.290 926 HG21 VAL 36 HG21 VAL 36 -1.339 -3.792 -10.684 927 HG22 VAL 36 HG22 VAL 36 -0.208 -5.077 -10.260 928 HG23 VAL 36 HG23 VAL 36 0.360 -3.411 -10.388 929 H GLU 37 H GLU 37 -1.106 -5.498 -6.181 930 HA GLU 37 HA GLU 37 -1.529 -3.834 -3.954 931 HB2 GLU 37 HB2 GLU 37 -1.533 -6.875 -4.096 932 HB3 GLU 37 HB3 GLU 37 -2.247 -5.930 -2.792 933 HG2 GLU 37 HG2 GLU 37 -3.936 -5.037 -4.265 934 HG3 GLU 37 HG3 GLU 37 -3.140 -5.728 -5.681 935 H SER 38 H SER 38 0.765 -6.568 -4.273 936 HA SER 38 HA SER 38 1.973 -6.537 -1.749 937 HB2 SER 38 HB2 SER 38 2.260 -8.397 -3.336 938 HB3 SER 38 HB3 SER 38 3.197 -7.369 -4.417 939 HG SER 38 HG SER 38 4.898 -7.517 -3.113 940 H THR 39 H THR 39 2.712 -4.609 -4.583 941 HA THR 39 HA THR 39 5.125 -3.408 -3.526 942 HB THR 39 HB THR 39 3.450 -2.682 -5.973 943 HG1 THR 39 HG1 THR 39 4.342 -4.497 -6.635 944 HG21 THR 39 HG21 THR 39 5.461 -1.498 -6.792 945 HG22 THR 39 HG22 THR 39 6.286 -1.827 -5.267 946 HG23 THR 39 HG23 THR 39 4.872 -0.769 -5.294 947 H ALA 40 H ALA 40 1.716 -2.416 -3.984 948 HA ALA 40 HA ALA 40 1.956 0.345 -3.541 949 HB1 ALA 40 HB1 ALA 40 -0.469 -1.421 -3.054 950 HB2 ALA 40 HB2 ALA 40 -0.001 -0.706 -4.598 951 HB3 ALA 40 HB3 ALA 40 -0.490 0.334 -3.260 952 H LEU 41 H LEU 41 0.854 -2.136 -1.198 953 HA LEU 41 HA LEU 41 0.695 -0.283 0.982 954 HB2 LEU 41 HB2 LEU 41 -0.199 -1.961 2.280 955 HB3 LEU 41 HB3 LEU 41 -0.600 -2.515 0.681 956 HG LEU 41 HG LEU 41 -0.067 -4.449 1.888 957 HD11 LEU 41 HD11 LEU 41 0.977 -4.534 -0.280 958 HD12 LEU 41 HD12 LEU 41 1.901 -5.448 0.907 959 HD13 LEU 41 HD13 LEU 41 2.470 -3.861 0.379 960 HD21 LEU 41 HD21 LEU 41 1.891 -4.775 3.309 961 HD22 LEU 41 HD22 LEU 41 0.890 -3.430 3.850 962 HD23 LEU 41 HD23 LEU 41 2.402 -3.111 2.993 963 H ALA 42 H ALA 42 3.290 -2.248 -0.256 964 HA ALA 42 HA ALA 42 5.139 -1.986 1.910 965 HB1 ALA 42 HB1 ALA 42 5.692 -2.432 -1.042 966 HB2 ALA 42 HB2 ALA 42 5.392 -3.695 0.153 967 HB3 ALA 42 HB3 ALA 42 6.839 -2.690 0.277 968 H VAL 43 H VAL 43 4.477 0.013 -0.987 969 HA VAL 43 HA VAL 43 6.393 2.040 -0.543 970 HB VAL 43 HB VAL 43 3.609 2.377 -1.770 971 HG11 VAL 43 HG11 VAL 43 6.095 4.096 -2.117 972 HG12 VAL 43 HG12 VAL 43 4.646 4.538 -1.210 973 HG13 VAL 43 HG13 VAL 43 4.558 4.319 -2.958 974 HG21 VAL 43 HG21 VAL 43 4.667 2.041 -3.969 975 HG22 VAL 43 HG22 VAL 43 4.877 0.619 -2.953 976 HG23 VAL 43 HG23 VAL 43 6.221 1.730 -3.191 977 H GLY 44 H GLY 44 3.173 1.463 0.857 978 HA2 GLY 44 HA2 GLY 44 2.918 3.813 2.435 979 HA3 GLY 44 HA3 GLY 44 2.151 2.265 2.761 980 H TRP 45 H TRP 45 4.623 0.767 3.016 981 HA TRP 45 HA TRP 45 5.337 1.243 5.747 982 HB2 TRP 45 HB2 TRP 45 5.266 -1.021 4.658 983 HB3 TRP 45 HB3 TRP 45 6.691 -0.590 3.720 984 HD1 TRP 45 HD1 TRP 45 8.998 -1.147 4.847 985 HE1 TRP 45 HE1 TRP 45 9.723 -1.993 7.160 986 HE3 TRP 45 HE3 TRP 45 4.540 -0.721 7.309 987 HZ2 TRP 45 HZ2 TRP 45 8.572 -2.434 9.692 988 HZ3 TRP 45 HZ3 TRP 45 4.438 -1.382 9.680 989 HH2 TRP 45 HH2 TRP 45 6.408 -2.221 10.850 990 H LEU 46 H LEU 46 6.846 2.152 2.674 991 HA LEU 46 HA LEU 46 9.147 3.414 3.891 992 HB2 LEU 46 HB2 LEU 46 7.861 3.772 1.161 993 HB3 LEU 46 HB3 LEU 46 9.380 4.523 1.641 994 HG LEU 46 HG LEU 46 8.905 1.517 1.506 995 HD11 LEU 46 HD11 LEU 46 10.289 1.501 -0.499 996 HD12 LEU 46 HD12 LEU 46 10.423 3.261 -0.454 997 HD13 LEU 46 HD13 LEU 46 8.853 2.499 -0.736 998 HD21 LEU 46 HD21 LEU 46 11.477 3.072 1.968 999 HD22 LEU 46 HD22 LEU 46 11.340 1.318 1.797 1000 HD23 LEU 46 HD23 LEU 46 10.596 2.127 3.172 1001 H ALA 47 H ALA 47 5.944 4.519 2.835 1002 HA ALA 47 HA ALA 47 6.196 7.280 3.198 1003 HB1 ALA 47 HB1 ALA 47 3.666 5.615 3.402 1004 HB2 ALA 47 HB2 ALA 47 4.376 6.234 1.909 1005 HB3 ALA 47 HB3 ALA 47 3.744 7.357 3.114 1006 H ARG 48 H ARG 48 5.524 4.796 5.626 1007 HA ARG 48 HA ARG 48 4.571 6.357 7.757 1008 HB2 ARG 48 HB2 ARG 48 5.368 4.619 9.266 1009 HB3 ARG 48 HB3 ARG 48 4.724 3.863 7.813 1010 HG2 ARG 48 HG2 ARG 48 6.976 3.472 6.977 1011 HG3 ARG 48 HG3 ARG 48 7.673 4.343 8.334 1012 HD2 ARG 48 HD2 ARG 48 6.923 2.610 9.887 1013 HD3 ARG 48 HD3 ARG 48 6.100 1.755 8.577 1014 HE ARG 48 HE ARG 48 8.320 1.429 7.547 1015 HH11 ARG 48 HH11 ARG 48 8.270 2.017 10.968 1016 HH12 ARG 48 HH12 ARG 48 9.804 1.262 11.209 1017 HH21 ARG 48 HH21 ARG 48 10.262 0.497 7.892 1018 HH22 ARG 48 HH22 ARG 48 10.920 0.415 9.485 1019 H GLU 49 H GLU 49 7.856 6.072 6.519 1020 HA GLU 49 HA GLU 49 8.959 7.896 8.586 1021 HB2 GLU 49 HB2 GLU 49 10.374 6.108 6.564 1022 HB3 GLU 49 HB3 GLU 49 11.175 7.102 7.777 1023 HG2 GLU 49 HG2 GLU 49 10.262 5.752 9.570 1024 HG3 GLU 49 HG3 GLU 49 9.276 4.831 8.435 1025 H ASN 50 H ASN 50 7.552 8.158 5.658 1026 HA ASN 50 HA ASN 50 7.423 9.638 3.973 1027 HB2 ASN 50 HB2 ASN 50 7.700 11.267 5.967 1028 HB3 ASN 50 HB3 ASN 50 9.366 11.467 5.451 1029 HD21 ASN 50 HD21 ASN 50 9.773 12.594 3.490 1030 HD22 ASN 50 HD22 ASN 50 8.563 13.569 2.737 1031 H LYS 51 H LYS 51 9.614 7.568 4.068 1032 HA LYS 51 HA LYS 51 11.919 8.529 2.691 1033 HB2 LYS 51 HB2 LYS 51 10.795 5.700 2.780 1034 HB3 LYS 51 HB3 LYS 51 12.416 6.140 2.242 1035 HG2 LYS 51 HG2 LYS 51 12.898 7.003 4.536 1036 HG3 LYS 51 HG3 LYS 51 11.300 6.451 5.046 1037 HD2 LYS 51 HD2 LYS 51 12.930 4.798 5.729 1038 HD3 LYS 51 HD3 LYS 51 11.966 4.107 4.421 1039 HE2 LYS 51 HE2 LYS 51 13.788 4.613 2.821 1040 HE3 LYS 51 HE3 LYS 51 14.745 5.316 4.127 1041 HZ1 LYS 51 HZ1 LYS 51 13.893 2.486 3.892 1042 HZ2 LYS 51 HZ2 LYS 51 14.717 3.134 5.217 1043 HZ3 LYS 51 HZ3 LYS 51 15.457 3.090 3.697 1044 H VAL 52 H VAL 52 8.753 7.774 1.658 1045 HA VAL 52 HA VAL 52 9.449 8.405 -1.147 1046 HB VAL 52 HB VAL 52 7.457 7.117 -1.898 1047 HG11 VAL 52 HG11 VAL 52 9.638 6.020 -1.989 1048 HG12 VAL 52 HG12 VAL 52 8.384 4.840 -1.612 1049 HG13 VAL 52 HG13 VAL 52 9.447 5.437 -0.336 1050 HG21 VAL 52 HG21 VAL 52 6.090 7.202 0.144 1051 HG22 VAL 52 HG22 VAL 52 7.249 6.180 0.994 1052 HG23 VAL 52 HG23 VAL 52 6.321 5.525 -0.354 1053 H VAL 53 H VAL 53 7.954 9.706 -2.217 1054 HA VAL 53 HA VAL 53 5.938 11.160 -0.598 1055 HB VAL 53 HB VAL 53 7.450 12.097 -3.080 1056 HG11 VAL 53 HG11 VAL 53 5.470 13.627 -1.339 1057 HG12 VAL 53 HG12 VAL 53 5.171 13.054 -2.982 1058 HG13 VAL 53 HG13 VAL 53 6.386 14.295 -2.693 1059 HG21 VAL 53 HG21 VAL 53 8.916 11.984 -1.096 1060 HG22 VAL 53 HG22 VAL 53 7.777 12.977 -0.183 1061 HG23 VAL 53 HG23 VAL 53 8.625 13.659 -1.571 1062 H ILE 54 H ILE 54 3.849 10.969 -1.273 1063 HA ILE 54 HA ILE 54 3.291 9.732 -3.913 1064 HB ILE 54 HB ILE 54 1.880 9.276 -1.255 1065 HG12 ILE 54 HG12 ILE 54 3.425 7.321 -3.016 1066 HG13 ILE 54 HG13 ILE 54 4.068 8.079 -1.564 1067 HG21 ILE 54 HG21 ILE 54 1.139 8.177 -3.979 1068 HG22 ILE 54 HG22 ILE 54 0.204 9.331 -3.027 1069 HG23 ILE 54 HG23 ILE 54 0.417 7.680 -2.448 1070 HD11 ILE 54 HD11 ILE 54 1.765 6.144 -1.705 1071 HD12 ILE 54 HD12 ILE 54 2.346 6.936 -0.236 1072 HD13 ILE 54 HD13 ILE 54 3.394 5.826 -1.113 1073 H GLU 55 H GLU 55 2.441 11.183 -5.180 1074 HA GLU 55 HA GLU 55 0.192 12.867 -4.347 1075 HB2 GLU 55 HB2 GLU 55 1.442 14.695 -5.965 1076 HB3 GLU 55 HB3 GLU 55 1.608 14.682 -4.210 1077 HG2 GLU 55 HG2 GLU 55 3.717 13.324 -4.499 1078 HG3 GLU 55 HG3 GLU 55 3.560 13.553 -6.240 1079 H ARG 56 H ARG 56 -1.424 12.777 -5.793 1080 HA ARG 56 HA ARG 56 -1.107 11.217 -8.219 1081 HB2 ARG 56 HB2 ARG 56 -3.561 12.453 -6.916 1082 HB3 ARG 56 HB3 ARG 56 -3.624 11.581 -8.447 1083 HG2 ARG 56 HG2 ARG 56 -2.632 9.579 -7.217 1084 HG3 ARG 56 HG3 ARG 56 -2.893 10.470 -5.715 1085 HD2 ARG 56 HD2 ARG 56 -5.294 10.501 -6.094 1086 HD3 ARG 56 HD3 ARG 56 -5.101 9.804 -7.706 1087 HE ARG 56 HE ARG 56 -4.970 8.417 -5.147 1088 HH11 ARG 56 HH11 ARG 56 -4.380 8.143 -8.563 1089 HH12 ARG 56 HH12 ARG 56 -4.374 6.412 -8.519 1090 HH21 ARG 56 HH21 ARG 56 -4.963 6.187 -5.162 1091 HH22 ARG 56 HH22 ARG 56 -4.692 5.337 -6.645 1092 H LYS 57 H LYS 57 -0.404 12.100 -9.978 1093 HA LYS 57 HA LYS 57 -0.867 14.940 -10.642 1094 HB2 LYS 57 HB2 LYS 57 1.375 13.022 -11.071 1095 HB3 LYS 57 HB3 LYS 57 1.030 14.031 -12.467 1096 HG2 LYS 57 HG2 LYS 57 2.801 14.969 -11.031 1097 HG3 LYS 57 HG3 LYS 57 1.408 16.047 -11.172 1098 HD2 LYS 57 HD2 LYS 57 0.605 15.255 -8.940 1099 HD3 LYS 57 HD3 LYS 57 2.041 14.235 -8.799 1100 HE2 LYS 57 HE2 LYS 57 2.085 17.262 -9.074 1101 HE3 LYS 57 HE3 LYS 57 2.223 16.387 -7.551 1102 HZ1 LYS 57 HZ1 LYS 57 4.274 15.481 -8.191 1103 HZ2 LYS 57 HZ2 LYS 57 4.361 17.123 -8.596 1104 HZ3 LYS 57 HZ3 LYS 57 4.103 15.965 -9.804 1105 H ASN 58 H ASN 58 -2.352 15.418 -12.142 1106 HA ASN 58 HA ASN 58 -4.241 15.148 -13.360 1107 HB2 ASN 58 HB2 ASN 58 -2.408 13.376 -15.034 1108 HB3 ASN 58 HB3 ASN 58 -3.934 14.060 -15.586 1109 HD21 ASN 58 HD21 ASN 58 -0.612 14.754 -14.796 1110 HD22 ASN 58 HD22 ASN 58 -0.574 16.343 -15.472 1111 H GLY 59 H GLY 59 -4.052 13.409 -11.130 1112 HA2 GLY 59 HA2 GLY 59 -5.507 11.814 -10.208 1113 HA3 GLY 59 HA3 GLY 59 -5.965 11.296 -11.820 1114 H LEU 60 H LEU 60 -3.031 11.016 -12.567 1115 HA LEU 60 HA LEU 60 -2.755 8.241 -11.835 1116 HB2 LEU 60 HB2 LEU 60 -0.993 10.088 -13.500 1117 HB3 LEU 60 HB3 LEU 60 -0.597 8.406 -13.205 1118 HG LEU 60 HG LEU 60 -1.530 8.488 -15.385 1119 HD11 LEU 60 HD11 LEU 60 -2.306 6.592 -14.072 1120 HD12 LEU 60 HD12 LEU 60 -3.509 7.079 -15.264 1121 HD13 LEU 60 HD13 LEU 60 -3.732 7.502 -13.564 1122 HD21 LEU 60 HD21 LEU 60 -3.697 9.488 -15.966 1123 HD22 LEU 60 HD22 LEU 60 -2.578 10.688 -15.322 1124 HD23 LEU 60 HD23 LEU 60 -3.883 10.070 -14.307 1125 H ILE 61 H ILE 61 -1.794 7.526 -10.072 1126 HA ILE 61 HA ILE 61 -0.546 9.281 -8.184 1127 HB ILE 61 HB ILE 61 -2.071 7.502 -7.491 1128 HG12 ILE 61 HG12 ILE 61 0.696 6.923 -6.360 1129 HG13 ILE 61 HG13 ILE 61 -0.295 8.303 -5.898 1130 HG21 ILE 61 HG21 ILE 61 -1.477 5.119 -7.543 1131 HG22 ILE 61 HG22 ILE 61 0.013 5.499 -8.407 1132 HG23 ILE 61 HG23 ILE 61 -1.549 5.796 -9.173 1133 HD11 ILE 61 HD11 ILE 61 -2.011 6.798 -5.046 1134 HD12 ILE 61 HD12 ILE 61 -0.454 6.513 -4.271 1135 HD13 ILE 61 HD13 ILE 61 -1.032 5.403 -5.512 1136 H GLU 62 H GLU 62 1.541 9.875 -8.215 1137 HA GLU 62 HA GLU 62 3.592 8.062 -9.373 1138 HB2 GLU 62 HB2 GLU 62 3.648 11.110 -9.385 1139 HB3 GLU 62 HB3 GLU 62 4.855 10.040 -10.098 1140 HG2 GLU 62 HG2 GLU 62 2.005 10.503 -11.015 1141 HG3 GLU 62 HG3 GLU 62 3.489 10.938 -11.858 1142 H ILE 63 H ILE 63 5.188 7.487 -8.064 1143 HA ILE 63 HA ILE 63 5.337 8.581 -5.349 1144 HB ILE 63 HB ILE 63 6.475 6.005 -6.546 1145 HG12 ILE 63 HG12 ILE 63 4.936 4.906 -4.819 1146 HG13 ILE 63 HG13 ILE 63 4.243 6.489 -4.513 1147 HG21 ILE 63 HG21 ILE 63 7.234 5.407 -4.259 1148 HG22 ILE 63 HG22 ILE 63 6.774 7.014 -3.694 1149 HG23 ILE 63 HG23 ILE 63 8.066 6.833 -4.881 1150 HD11 ILE 63 HD11 ILE 63 4.132 4.959 -7.107 1151 HD12 ILE 63 HD12 ILE 63 3.435 6.557 -6.824 1152 HD13 ILE 63 HD13 ILE 63 2.825 5.160 -5.938 1153 H TYR 64 H TYR 64 6.551 10.378 -5.403 1154 HA TYR 64 HA TYR 64 9.078 10.593 -6.852 1155 HB2 TYR 64 HB2 TYR 64 7.602 12.566 -5.053 1156 HB3 TYR 64 HB3 TYR 64 9.106 12.929 -5.889 1157 HD1 TYR 64 HD2 TYR 64 5.508 12.106 -6.431 1158 HD2 TYR 64 HD1 TYR 64 9.094 13.612 -8.206 1159 HE1 TYR 64 HE2 TYR 64 4.224 12.860 -8.381 1160 HE2 TYR 64 HE1 TYR 64 7.802 14.367 -10.158 1161 HH TYR 64 HH TYR 64 5.645 13.818 -11.290 1162 H ASN 65 H ASN 65 10.945 11.619 -5.652 1163 HA ASN 65 HA ASN 65 11.713 10.004 -3.350 1164 HB2 ASN 65 HB2 ASN 65 13.180 10.513 -5.393 1165 HB3 ASN 65 HB3 ASN 65 13.314 12.165 -4.802 1166 HD21 ASN 65 HD21 ASN 65 14.247 8.861 -4.327 1167 HD22 ASN 65 HD22 ASN 65 15.488 9.172 -3.170 1168 H GLU 66 H GLU 66 12.218 10.832 -1.243 1169 HA GLU 66 HA GLU 66 10.850 13.046 -0.217 1170 HB2 GLU 66 HB2 GLU 66 11.661 11.188 1.190 1171 HB3 GLU 66 HB3 GLU 66 13.327 11.694 0.932 1172 HG2 GLU 66 HG2 GLU 66 12.891 13.794 2.150 1173 HG3 GLU 66 HG3 GLU 66 11.203 13.336 2.358 1174 H GLY 67 H GLY 67 13.941 12.988 -1.808 1175 HA2 GLY 67 HA2 GLY 67 15.193 15.333 -0.986 1176 HA3 GLY 67 HA3 GLY 67 15.325 14.632 -2.591 1177 H HIS 68 H HIS 68 12.379 15.004 -3.082 1178 HA HIS 68 HA HIS 68 11.958 17.889 -3.048 1179 HB2 HIS 68 HB2 HIS 68 11.543 17.964 -5.551 1180 HB3 HIS 68 HB3 HIS 68 13.226 17.770 -5.089 1181 HD1 HIS 68 HD1 HIS 68 14.389 15.568 -5.714 1182 HD2 HIS 68 HD2 HIS 68 10.429 15.751 -6.952 1183 HE1 HIS 68 HE1 HIS 68 14.102 13.666 -7.322 1184 HE2 HIS 68 HE2 HIS 68 11.693 13.767 -8.018 1185 H PHE 69 H PHE 69 9.901 18.243 -2.549 1186 HA PHE 69 HA PHE 69 7.688 16.729 -3.656 1187 HB2 PHE 69 HB2 PHE 69 6.744 15.998 -1.528 1188 HB3 PHE 69 HB3 PHE 69 8.342 15.312 -1.741 1189 HD1 PHE 69 HD1 PHE 69 10.313 16.442 -0.473 1190 HD2 PHE 69 HD2 PHE 69 6.201 17.148 0.485 1191 HE1 PHE 69 HE1 PHE 69 10.960 17.204 1.772 1192 HE2 PHE 69 HE2 PHE 69 6.859 17.914 2.724 1193 HZ PHE 69 HZ PHE 69 9.236 17.940 3.374 1194 H ASP 70 H ASP 70 5.592 17.636 -3.139 1195 HA ASP 70 HA ASP 70 4.087 19.314 -2.903 1196 HB2 ASP 70 HB2 ASP 70 4.538 18.746 -0.522 1197 HB3 ASP 70 HB3 ASP 70 5.802 19.969 -0.471 1198 H PHE 71 H PHE 71 5.009 20.230 -4.922 1199 HA PHE 71 HA PHE 71 6.598 22.674 -4.732 1200 HB2 PHE 71 HB2 PHE 71 6.939 21.053 -6.603 1201 HB3 PHE 71 HB3 PHE 71 5.295 21.342 -7.151 1202 HD1 PHE 71 HD2 PHE 71 8.549 23.106 -6.540 1203 HD2 PHE 71 HD1 PHE 71 4.883 23.065 -8.752 1204 HE1 PHE 71 HE2 PHE 71 9.360 24.962 -7.931 1205 HE2 PHE 71 HE1 PHE 71 5.706 24.924 -10.137 1206 HZ PHE 71 HZ PHE 71 7.943 25.875 -9.729 1207 H SER 72 H SER 72 5.823 24.765 -5.486 1208 HA SER 72 HA SER 72 3.118 25.442 -4.782 1209 HB2 SER 72 HB2 SER 72 5.231 27.134 -6.193 1210 HB3 SER 72 HB3 SER 72 3.739 27.748 -5.479 1211 HG SER 72 HG SER 72 6.100 27.239 -4.305 1212 H PHE 73 H PHE 73 1.797 24.177 -6.164 1213 HA PHE 73 HA PHE 73 2.095 24.097 -9.028 1214 HB2 PHE 73 HB2 PHE 73 -0.223 23.127 -7.306 1215 HB3 PHE 73 HB3 PHE 73 0.030 22.719 -9.000 1216 HD1 PHE 73 HD2 PHE 73 2.577 21.754 -9.442 1217 HD2 PHE 73 HD1 PHE 73 0.373 21.433 -5.785 1218 HE1 PHE 73 HE2 PHE 73 3.931 19.806 -8.788 1219 HE2 PHE 73 HE1 PHE 73 1.734 19.487 -5.142 1220 HZ PHE 73 HZ PHE 73 3.512 18.671 -6.639 1221 H GLY 74 H GLY 74 0.694 26.402 -7.006 1222 HA2 GLY 74 HA2 GLY 74 -1.576 27.282 -8.453 1223 HA3 GLY 74 HA3 GLY 74 -0.650 28.226 -7.301 1224 H LEU 75 H LEU 75 1.754 27.580 -9.329 1225 HA LEU 75 HA LEU 75 1.700 30.047 -10.731 1226 HB2 LEU 75 HB2 LEU 75 3.779 29.495 -11.655 1227 HB3 LEU 75 HB3 LEU 75 3.774 28.657 -10.118 1228 HG LEU 75 HG LEU 75 3.291 27.336 -12.827 1229 HD11 LEU 75 HD11 LEU 75 5.586 28.150 -12.637 1230 HD12 LEU 75 HD12 LEU 75 5.528 26.391 -12.621 1231 HD13 LEU 75 HD13 LEU 75 5.791 27.275 -11.115 1232 HD21 LEU 75 HD21 LEU 75 3.712 26.016 -10.124 1233 HD22 LEU 75 HD22 LEU 75 3.533 25.192 -11.675 1234 HD23 LEU 75 HD23 LEU 75 2.184 26.106 -11.005 1235 H GLU 76 H GLU 76 0.628 26.846 -11.633 1236 HA GLU 76 HA GLU 76 -0.058 27.626 -14.388 1237 HB2 GLU 76 HB2 GLU 76 1.025 25.454 -14.094 1238 HB3 GLU 76 HB3 GLU 76 -0.173 24.964 -12.901 1239 HG2 GLU 76 HG2 GLU 76 -1.906 24.874 -14.613 1240 HG3 GLU 76 HG3 GLU 76 -0.794 25.520 -15.821 1241 H HIS 77 H HIS 77 -1.498 27.028 -11.268 1242 HA HIS 77 HA HIS 77 -3.551 27.041 -10.370 1243 HB2 HIS 77 HB2 HIS 77 -4.464 28.525 -12.872 1244 HB3 HIS 77 HB3 HIS 77 -5.390 28.376 -11.383 1245 HD1 HIS 77 HD1 HIS 77 -4.673 29.879 -9.389 1246 HD2 HIS 77 HD2 HIS 77 -2.395 30.427 -12.818 1247 HE1 HIS 77 HE1 HIS 77 -3.411 32.012 -9.020 1248 HE2 HIS 77 HE2 HIS 77 -1.902 32.209 -11.017 1249 H HIS 78 H HIS 78 -4.593 26.763 -13.759 1250 HA HIS 78 HA HIS 78 -6.064 25.513 -14.846 1251 HB2 HIS 78 HB2 HIS 78 -5.525 23.184 -15.186 1252 HB3 HIS 78 HB3 HIS 78 -4.034 24.090 -15.012 1253 HD1 HIS 78 HD1 HIS 78 -2.423 23.310 -13.220 1254 HD2 HIS 78 HD2 HIS 78 -6.129 21.456 -12.927 1255 HE1 HIS 78 HE1 HIS 78 -2.139 21.515 -11.497 1256 HE2 HIS 78 HE2 HIS 78 -4.359 20.350 -11.404 1257 H HIS 79 H HIS 79 -8.068 24.370 -14.887 1258 HA HIS 79 HA HIS 79 -9.550 24.727 -12.446 1259 HB2 HIS 79 HB2 HIS 79 -11.540 24.180 -13.689 1260 HB3 HIS 79 HB3 HIS 79 -10.525 25.180 -14.718 1261 HD1 HIS 79 HD1 HIS 79 -11.760 21.628 -14.350 1262 HD2 HIS 79 HD2 HIS 79 -9.796 23.996 -17.138 1263 HE1 HIS 79 HE1 HIS 79 -11.736 20.286 -16.465 1264 HE2 HIS 79 HE2 HIS 79 -10.421 21.677 -18.095 1265 H HIS 80 H HIS 80 -11.059 23.057 -11.604 1266 HA HIS 80 HA HIS 80 -9.559 20.595 -10.986 1267 HB2 HIS 80 HB2 HIS 80 -11.990 21.831 -9.614 1268 HB3 HIS 80 HB3 HIS 80 -11.068 20.450 -9.025 1269 HD1 HIS 80 HD1 HIS 80 -9.047 20.948 -7.593 1270 HD2 HIS 80 HD2 HIS 80 -10.493 24.331 -9.532 1271 HE1 HIS 80 HE1 HIS 80 -7.719 22.872 -6.675 1272 HE2 HIS 80 HE2 HIS 80 -8.582 24.896 -7.888 1273 H HIS 81 H HIS 81 -10.955 18.579 -10.605 1274 HA HIS 81 HA HIS 81 -12.473 17.923 -12.945 1275 HB2 HIS 81 HB2 HIS 81 -12.820 15.707 -11.885 1276 HB3 HIS 81 HB3 HIS 81 -11.135 16.198 -11.831 1277 HD1 HIS 81 HD1 HIS 81 -14.036 15.374 -9.658 1278 HD2 HIS 81 HD2 HIS 81 -10.131 16.710 -9.221 1279 HE1 HIS 81 HE1 HIS 81 -13.511 15.113 -7.223 1280 HE2 HIS 81 HE2 HIS 81 -11.194 16.047 -6.961 1281 H HIS 82 H HIS 82 -14.694 17.563 -13.196 1282 HA HIS 82 HA HIS 82 -16.374 19.440 -11.914 1283 HB2 HIS 82 HB2 HIS 82 -16.680 18.787 -14.264 1284 HB3 HIS 82 HB3 HIS 82 -17.094 17.146 -13.782 1285 HD1 HIS 82 HD1 HIS 82 -19.461 16.729 -12.903 1286 HD2 HIS 82 HD2 HIS 82 -18.745 20.703 -13.863 1287 HE1 HIS 82 HE1 HIS 82 -21.705 17.841 -12.857 1288 HE2 HIS 82 HE2 HIS 82 -21.267 20.179 -13.670 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.711 15.287 -2.021 2 H2 MET 1 H2 MET 1 0.465 16.494 -3.172 3 H3 MET 1 H3 MET 1 -0.559 15.150 -3.135 4 HA MET 1 HA MET 1 -0.314 17.227 -1.026 5 HB2 MET 1 HB2 MET 1 -1.444 18.103 -3.016 6 HB3 MET 1 HB3 MET 1 -2.481 16.688 -3.107 7 HG2 MET 1 HG2 MET 1 -3.607 18.752 -2.236 8 HG3 MET 1 HG3 MET 1 -3.698 17.364 -1.144 9 HE1 MET 1 HE1 MET 1 -4.438 20.047 0.147 10 HE2 MET 1 HE2 MET 1 -3.423 20.049 1.590 11 HE3 MET 1 HE3 MET 1 -4.199 18.557 1.061 12 H ASP 2 H ASP 2 -0.856 13.980 -1.596 13 HA ASP 2 HA ASP 2 -3.246 13.699 0.073 14 HB2 ASP 2 HB2 ASP 2 -1.833 11.615 -1.627 15 HB3 ASP 2 HB3 ASP 2 -3.456 11.502 -0.941 16 H LYS 3 H LYS 3 -0.214 13.952 1.009 17 HA LYS 3 HA LYS 3 0.457 11.493 2.262 18 HB2 LYS 3 HB2 LYS 3 2.080 13.335 1.692 19 HB3 LYS 3 HB3 LYS 3 1.425 14.281 3.021 20 HG2 LYS 3 HG2 LYS 3 3.510 13.217 3.693 21 HG3 LYS 3 HG3 LYS 3 2.166 12.550 4.625 22 HD2 LYS 3 HD2 LYS 3 2.128 10.565 3.110 23 HD3 LYS 3 HD3 LYS 3 3.503 11.230 2.218 24 HE2 LYS 3 HE2 LYS 3 3.488 10.386 5.139 25 HE3 LYS 3 HE3 LYS 3 4.260 9.526 3.803 26 HZ1 LYS 3 HZ1 LYS 3 4.968 12.288 4.624 27 HZ2 LYS 3 HZ2 LYS 3 5.791 11.313 3.512 28 HZ3 LYS 3 HZ3 LYS 3 5.777 10.908 5.155 29 H LYS 4 H LYS 4 -1.496 14.221 3.373 30 HA LYS 4 HA LYS 4 -1.965 13.094 6.036 31 HB2 LYS 4 HB2 LYS 4 -3.185 15.463 4.557 32 HB3 LYS 4 HB3 LYS 4 -3.658 14.992 6.186 33 HG2 LYS 4 HG2 LYS 4 -0.880 15.879 5.344 34 HG3 LYS 4 HG3 LYS 4 -2.077 16.867 6.190 35 HD2 LYS 4 HD2 LYS 4 -2.021 15.158 8.076 36 HD3 LYS 4 HD3 LYS 4 -0.663 14.382 7.249 37 HE2 LYS 4 HE2 LYS 4 0.139 15.874 9.026 38 HE3 LYS 4 HE3 LYS 4 0.638 16.488 7.448 39 HZ1 LYS 4 HZ1 LYS 4 -1.735 17.450 8.953 40 HZ2 LYS 4 HZ2 LYS 4 -1.122 18.098 7.518 41 HZ3 LYS 4 HZ3 LYS 4 -0.229 18.216 8.949 42 H ILE 5 H ILE 5 -3.534 13.245 2.909 43 HA ILE 5 HA ILE 5 -6.139 12.380 3.618 44 HB ILE 5 HB ILE 5 -4.712 12.198 0.926 45 HG12 ILE 5 HG12 ILE 5 -6.525 14.413 2.006 46 HG13 ILE 5 HG13 ILE 5 -4.772 14.516 1.897 47 HG21 ILE 5 HG21 ILE 5 -6.964 12.171 -0.103 48 HG22 ILE 5 HG22 ILE 5 -7.699 12.129 1.500 49 HG23 ILE 5 HG23 ILE 5 -6.720 10.772 0.945 50 HD11 ILE 5 HD11 ILE 5 -4.935 14.348 -0.552 51 HD12 ILE 5 HD12 ILE 5 -5.806 15.735 0.100 52 HD13 ILE 5 HD13 ILE 5 -6.697 14.304 -0.417 53 H VAL 6 H VAL 6 -3.159 10.584 2.977 54 HA VAL 6 HA VAL 6 -4.242 7.989 2.585 55 HB VAL 6 HB VAL 6 -2.042 7.067 3.135 56 HG11 VAL 6 HG11 VAL 6 -0.615 8.309 1.579 57 HG12 VAL 6 HG12 VAL 6 -1.700 9.693 1.659 58 HG13 VAL 6 HG13 VAL 6 -2.262 8.179 0.959 59 HG21 VAL 6 HG21 VAL 6 -1.526 8.334 5.199 60 HG22 VAL 6 HG22 VAL 6 -1.292 9.807 4.258 61 HG23 VAL 6 HG23 VAL 6 -0.184 8.448 4.056 62 H GLY 7 H GLY 7 -3.599 9.887 5.483 63 HA2 GLY 7 HA2 GLY 7 -4.067 7.842 7.435 64 HA3 GLY 7 HA3 GLY 7 -4.033 9.575 7.717 65 H ALA 8 H ALA 8 -6.076 10.457 6.078 66 HA ALA 8 HA ALA 8 -8.455 9.933 7.531 67 HB1 ALA 8 HB1 ALA 8 -8.137 11.218 4.796 68 HB2 ALA 8 HB2 ALA 8 -8.053 12.055 6.347 69 HB3 ALA 8 HB3 ALA 8 -9.571 11.322 5.823 70 H ASN 9 H ASN 9 -7.201 8.604 4.498 71 HA ASN 9 HA ASN 9 -9.511 7.014 3.839 72 HB2 ASN 9 HB2 ASN 9 -6.637 6.946 2.825 73 HB3 ASN 9 HB3 ASN 9 -7.905 5.895 2.196 74 HD21 ASN 9 HD21 ASN 9 -6.351 7.933 0.797 75 HD22 ASN 9 HD22 ASN 9 -7.498 9.055 0.161 76 H ALA 10 H ALA 10 -6.556 6.493 5.723 77 HA ALA 10 HA ALA 10 -6.609 3.624 5.722 78 HB1 ALA 10 HB1 ALA 10 -5.154 5.543 7.582 79 HB2 ALA 10 HB2 ALA 10 -4.530 4.911 6.056 80 HB3 ALA 10 HB3 ALA 10 -4.825 3.814 7.407 81 H GLY 11 H GLY 11 -7.575 6.122 8.089 82 HA2 GLY 11 HA2 GLY 11 -8.486 4.432 10.175 83 HA3 GLY 11 HA3 GLY 11 -8.983 6.098 9.910 84 H LYS 12 H LYS 12 -10.101 5.720 7.316 85 HA LYS 12 HA LYS 12 -12.753 4.870 7.837 86 HB2 LYS 12 HB2 LYS 12 -12.095 6.593 6.167 87 HB3 LYS 12 HB3 LYS 12 -11.337 5.349 5.180 88 HG2 LYS 12 HG2 LYS 12 -13.523 4.315 4.762 89 HG3 LYS 12 HG3 LYS 12 -14.302 5.496 5.825 90 HD2 LYS 12 HD2 LYS 12 -13.583 7.327 4.305 91 HD3 LYS 12 HD3 LYS 12 -12.822 6.141 3.240 92 HE2 LYS 12 HE2 LYS 12 -14.995 6.826 2.362 93 HE3 LYS 12 HE3 LYS 12 -15.032 5.123 2.812 94 HZ1 LYS 12 HZ1 LYS 12 -16.118 7.372 4.407 95 HZ2 LYS 12 HZ2 LYS 12 -16.142 5.745 4.866 96 HZ3 LYS 12 HZ3 LYS 12 -17.017 6.254 3.514 97 H VAL 13 H VAL 13 -10.046 3.318 6.087 98 HA VAL 13 HA VAL 13 -11.320 0.918 5.306 99 HB VAL 13 HB VAL 13 -8.374 1.513 5.843 100 HG11 VAL 13 HG11 VAL 13 -8.683 -0.913 6.113 101 HG12 VAL 13 HG12 VAL 13 -7.822 -0.582 4.609 102 HG13 VAL 13 HG13 VAL 13 -9.536 -1.001 4.569 103 HG21 VAL 13 HG21 VAL 13 -9.904 1.240 3.218 104 HG22 VAL 13 HG22 VAL 13 -8.179 1.590 3.374 105 HG23 VAL 13 HG23 VAL 13 -9.371 2.758 3.945 106 H TRP 14 H TRP 14 -9.438 1.687 8.237 107 HA TRP 14 HA TRP 14 -9.519 -0.925 9.360 108 HB2 TRP 14 HB2 TRP 14 -7.883 1.016 9.933 109 HB3 TRP 14 HB3 TRP 14 -9.127 1.574 11.045 110 HD1 TRP 14 HD1 TRP 14 -6.656 -1.329 10.526 111 HE1 TRP 14 HE1 TRP 14 -6.408 -2.603 12.736 112 HE3 TRP 14 HE3 TRP 14 -10.290 0.980 13.185 113 HZ2 TRP 14 HZ2 TRP 14 -7.576 -2.623 15.302 114 HZ3 TRP 14 HZ3 TRP 14 -10.691 0.305 15.534 115 HH2 TRP 14 HH2 TRP 14 -9.357 -1.474 16.569 116 H HIS 15 H HIS 15 -11.644 1.871 9.688 117 HA HIS 15 HA HIS 15 -13.335 1.053 11.773 118 HB2 HIS 15 HB2 HIS 15 -13.386 3.322 10.754 119 HB3 HIS 15 HB3 HIS 15 -14.045 2.649 9.268 120 HD1 HIS 15 HD1 HIS 15 -14.982 3.427 12.831 121 HD2 HIS 15 HD2 HIS 15 -16.825 2.215 9.307 122 HE1 HIS 15 HE1 HIS 15 -17.441 3.625 13.258 123 HE2 HIS 15 HE2 HIS 15 -18.525 2.681 11.203 124 H ALA 16 H ALA 16 -13.365 0.221 8.315 125 HA ALA 16 HA ALA 16 -15.711 -1.424 8.347 126 HB1 ALA 16 HB1 ALA 16 -14.828 -0.450 6.261 127 HB2 ALA 16 HB2 ALA 16 -14.951 -2.205 6.137 128 HB3 ALA 16 HB3 ALA 16 -13.377 -1.446 6.396 129 H LEU 17 H LEU 17 -12.229 -2.082 8.793 130 HA LEU 17 HA LEU 17 -12.281 -4.923 8.633 131 HB2 LEU 17 HB2 LEU 17 -10.296 -3.090 10.012 132 HB3 LEU 17 HB3 LEU 17 -10.021 -4.801 9.698 133 HG LEU 17 HG LEU 17 -10.401 -2.686 7.540 134 HD11 LEU 17 HD11 LEU 17 -8.340 -2.311 8.798 135 HD12 LEU 17 HD12 LEU 17 -7.992 -2.870 7.158 136 HD13 LEU 17 HD13 LEU 17 -7.845 -3.989 8.519 137 HD21 LEU 17 HD21 LEU 17 -9.563 -5.602 7.289 138 HD22 LEU 17 HD22 LEU 17 -9.636 -4.429 5.971 139 HD23 LEU 17 HD23 LEU 17 -11.114 -4.920 6.791 140 H ASN 18 H ASN 18 -13.221 -2.826 11.191 141 HA ASN 18 HA ASN 18 -12.604 -4.269 13.504 142 HB2 ASN 18 HB2 ASN 18 -13.342 -1.922 13.520 143 HB3 ASN 18 HB3 ASN 18 -14.950 -2.397 12.990 144 HD21 ASN 18 HD21 ASN 18 -16.394 -3.216 14.518 145 HD22 ASN 18 HD22 ASN 18 -16.053 -3.241 16.210 146 H GLU 19 H GLU 19 -15.339 -4.684 11.280 147 HA GLU 19 HA GLU 19 -16.040 -7.218 12.649 148 HB2 GLU 19 HB2 GLU 19 -18.025 -5.214 11.496 149 HB3 GLU 19 HB3 GLU 19 -18.441 -6.850 12.012 150 HG2 GLU 19 HG2 GLU 19 -17.509 -6.193 14.313 151 HG3 GLU 19 HG3 GLU 19 -17.522 -4.530 13.723 152 H ALA 20 H ALA 20 -15.877 -5.430 9.611 153 HA ALA 20 HA ALA 20 -16.296 -7.859 8.002 154 HB1 ALA 20 HB1 ALA 20 -17.416 -5.779 7.280 155 HB2 ALA 20 HB2 ALA 20 -16.252 -6.322 6.069 156 HB3 ALA 20 HB3 ALA 20 -15.851 -4.974 7.136 157 H ASP 21 H ASP 21 -14.460 -9.096 8.263 158 HA ASP 21 HA ASP 21 -11.794 -7.907 7.747 159 HB2 ASP 21 HB2 ASP 21 -10.878 -9.331 9.599 160 HB3 ASP 21 HB3 ASP 21 -12.003 -8.100 10.161 161 H GLY 22 H GLY 22 -10.107 -9.573 7.270 162 HA2 GLY 22 HA2 GLY 22 -9.285 -11.291 5.980 163 HA3 GLY 22 HA3 GLY 22 -10.767 -12.181 6.314 164 H ILE 23 H ILE 23 -9.658 -9.361 4.452 165 HA ILE 23 HA ILE 23 -11.361 -10.087 2.179 166 HB ILE 23 HB ILE 23 -12.814 -8.762 3.619 167 HG12 ILE 23 HG12 ILE 23 -11.888 -7.039 1.282 168 HG13 ILE 23 HG13 ILE 23 -12.976 -8.417 1.151 169 HG21 ILE 23 HG21 ILE 23 -10.719 -6.558 3.586 170 HG22 ILE 23 HG22 ILE 23 -11.138 -7.573 4.968 171 HG23 ILE 23 HG23 ILE 23 -12.325 -6.444 4.314 172 HD11 ILE 23 HD11 ILE 23 -14.608 -7.237 2.554 173 HD12 ILE 23 HD12 ILE 23 -14.199 -6.350 1.087 174 HD13 ILE 23 HD13 ILE 23 -13.518 -5.849 2.633 175 H SER 24 H SER 24 -10.421 -9.604 0.254 176 HA SER 24 HA SER 24 -7.705 -8.622 0.183 177 HB2 SER 24 HB2 SER 24 -8.583 -10.471 -1.284 178 HB3 SER 24 HB3 SER 24 -9.550 -9.284 -2.157 179 HG SER 24 HG SER 24 -6.887 -9.864 -2.316 180 H ILE 25 H ILE 25 -7.002 -6.897 -1.350 181 HA ILE 25 HA ILE 25 -7.841 -4.404 -0.544 182 HB ILE 25 HB ILE 25 -6.374 -5.073 -3.127 183 HG12 ILE 25 HG12 ILE 25 -5.200 -4.158 -0.462 184 HG13 ILE 25 HG13 ILE 25 -5.288 -5.838 -0.968 185 HG21 ILE 25 HG21 ILE 25 -6.583 -2.364 -1.748 186 HG22 ILE 25 HG22 ILE 25 -7.269 -2.801 -3.314 187 HG23 ILE 25 HG23 ILE 25 -5.521 -2.736 -3.109 188 HD11 ILE 25 HD11 ILE 25 -3.070 -4.909 -1.307 189 HD12 ILE 25 HD12 ILE 25 -3.729 -3.674 -2.377 190 HD13 ILE 25 HD13 ILE 25 -3.802 -5.375 -2.842 191 HA PRO 26 HA PRO 26 -10.248 -3.475 -4.651 192 HB2 PRO 26 HB2 PRO 26 -11.086 -5.964 -5.995 193 HB3 PRO 26 HB3 PRO 26 -10.112 -4.634 -6.629 194 HG2 PRO 26 HG2 PRO 26 -9.106 -7.123 -6.071 195 HG3 PRO 26 HG3 PRO 26 -8.119 -5.649 -6.056 196 HD2 PRO 26 HD2 PRO 26 -9.322 -7.182 -3.759 197 HD3 PRO 26 HD3 PRO 26 -7.727 -6.405 -3.885 198 H GLU 27 H GLU 27 -11.298 -6.313 -2.843 199 HA GLU 27 HA GLU 27 -14.152 -5.940 -3.125 200 HB2 GLU 27 HB2 GLU 27 -12.557 -7.378 -0.955 201 HB3 GLU 27 HB3 GLU 27 -14.293 -7.546 -1.230 202 HG2 GLU 27 HG2 GLU 27 -13.852 -8.592 -3.411 203 HG3 GLU 27 HG3 GLU 27 -12.114 -8.394 -3.165 204 H LEU 28 H LEU 28 -11.674 -5.181 -0.836 205 HA LEU 28 HA LEU 28 -13.144 -3.906 1.228 206 HB2 LEU 28 HB2 LEU 28 -10.975 -4.937 1.548 207 HB3 LEU 28 HB3 LEU 28 -10.244 -3.897 0.340 208 HG LEU 28 HG LEU 28 -10.508 -1.960 1.853 209 HD11 LEU 28 HD11 LEU 28 -11.108 -2.267 4.223 210 HD12 LEU 28 HD12 LEU 28 -11.528 -3.953 3.907 211 HD13 LEU 28 HD13 LEU 28 -12.460 -2.652 3.159 212 HD21 LEU 28 HD21 LEU 28 -8.707 -2.613 3.404 213 HD22 LEU 28 HD22 LEU 28 -8.420 -3.228 1.777 214 HD23 LEU 28 HD23 LEU 28 -9.006 -4.316 3.040 215 H ALA 29 H ALA 29 -11.488 -2.726 -1.649 216 HA ALA 29 HA ALA 29 -11.570 0.045 -1.311 217 HB1 ALA 29 HB1 ALA 29 -11.234 0.178 -3.744 218 HB2 ALA 29 HB2 ALA 29 -11.702 -1.517 -3.915 219 HB3 ALA 29 HB3 ALA 29 -10.230 -1.093 -3.041 220 H ARG 30 H ARG 30 -14.012 -2.150 -2.660 221 HA ARG 30 HA ARG 30 -15.872 -0.242 -3.631 222 HB2 ARG 30 HB2 ARG 30 -16.396 -3.061 -2.591 223 HB3 ARG 30 HB3 ARG 30 -17.517 -2.102 -3.564 224 HG2 ARG 30 HG2 ARG 30 -15.934 -2.136 -5.446 225 HG3 ARG 30 HG3 ARG 30 -14.783 -3.058 -4.474 226 HD2 ARG 30 HD2 ARG 30 -16.393 -4.921 -4.330 227 HD3 ARG 30 HD3 ARG 30 -17.560 -3.990 -5.281 228 HE ARG 30 HE ARG 30 -14.973 -4.450 -6.528 229 HH11 ARG 30 HH11 ARG 30 -18.258 -5.507 -6.285 230 HH12 ARG 30 HH12 ARG 30 -18.167 -6.453 -7.724 231 HH21 ARG 30 HH21 ARG 30 -14.886 -5.664 -8.362 232 HH22 ARG 30 HH22 ARG 30 -16.284 -6.526 -8.894 233 H LYS 31 H LYS 31 -15.560 -1.851 -0.468 234 HA LYS 31 HA LYS 31 -17.971 -0.896 0.709 235 HB2 LYS 31 HB2 LYS 31 -15.424 -1.770 2.144 236 HB3 LYS 31 HB3 LYS 31 -17.049 -1.702 2.831 237 HG2 LYS 31 HG2 LYS 31 -17.749 -3.464 1.175 238 HG3 LYS 31 HG3 LYS 31 -16.063 -3.579 0.660 239 HD2 LYS 31 HD2 LYS 31 -16.489 -5.364 2.234 240 HD3 LYS 31 HD3 LYS 31 -15.436 -4.186 3.021 241 HE2 LYS 31 HE2 LYS 31 -17.172 -4.946 4.578 242 HE3 LYS 31 HE3 LYS 31 -17.418 -3.240 4.202 243 HZ1 LYS 31 HZ1 LYS 31 -18.884 -5.512 2.984 244 HZ2 LYS 31 HZ2 LYS 31 -19.127 -3.883 2.621 245 HZ3 LYS 31 HZ3 LYS 31 -19.491 -4.466 4.164 246 H VAL 32 H VAL 32 -14.617 0.287 0.819 247 HA VAL 32 HA VAL 32 -15.313 2.592 2.485 248 HB VAL 32 HB VAL 32 -12.904 3.120 2.468 249 HG11 VAL 32 HG11 VAL 32 -13.731 1.527 4.146 250 HG12 VAL 32 HG12 VAL 32 -12.092 1.097 3.660 251 HG13 VAL 32 HG13 VAL 32 -13.465 0.177 3.037 252 HG21 VAL 32 HG21 VAL 32 -12.321 2.423 0.165 253 HG22 VAL 32 HG22 VAL 32 -12.566 0.731 0.597 254 HG23 VAL 32 HG23 VAL 32 -11.251 1.647 1.337 255 H ASN 33 H ASN 33 -15.671 1.984 -0.740 256 HA ASN 33 HA ASN 33 -16.208 3.237 -2.550 257 HB2 ASN 33 HB2 ASN 33 -17.658 4.361 -0.815 258 HB3 ASN 33 HB3 ASN 33 -16.392 5.553 -0.570 259 HD21 ASN 33 HD21 ASN 33 -17.752 7.255 -1.169 260 HD22 ASN 33 HD22 ASN 33 -18.258 7.512 -2.798 261 H LEU 34 H LEU 34 -13.362 2.996 -1.758 262 HA LEU 34 HA LEU 34 -12.159 5.309 -3.199 263 HB2 LEU 34 HB2 LEU 34 -10.716 3.275 -1.444 264 HB3 LEU 34 HB3 LEU 34 -10.049 4.761 -2.107 265 HG LEU 34 HG LEU 34 -12.185 4.588 0.063 266 HD11 LEU 34 HD11 LEU 34 -9.262 5.352 0.315 267 HD12 LEU 34 HD12 LEU 34 -10.005 3.851 0.877 268 HD13 LEU 34 HD13 LEU 34 -10.468 5.386 1.606 269 HD21 LEU 34 HD21 LEU 34 -11.925 7.017 0.331 270 HD22 LEU 34 HD22 LEU 34 -12.478 6.619 -1.294 271 HD23 LEU 34 HD23 LEU 34 -10.792 7.059 -1.023 272 H SER 35 H SER 35 -10.386 4.728 -4.726 273 HA SER 35 HA SER 35 -10.888 2.355 -6.309 274 HB2 SER 35 HB2 SER 35 -10.181 4.416 -7.427 275 HB3 SER 35 HB3 SER 35 -8.684 4.457 -6.496 276 HG SER 35 HG SER 35 -8.165 3.564 -8.430 277 H VAL 36 H VAL 36 -9.083 0.875 -6.939 278 HA VAL 36 HA VAL 36 -8.178 -0.690 -4.833 279 HB VAL 36 HB VAL 36 -7.111 -0.552 -7.689 280 HG11 VAL 36 HG11 VAL 36 -6.687 -2.764 -5.634 281 HG12 VAL 36 HG12 VAL 36 -5.443 -1.700 -6.295 282 HG13 VAL 36 HG13 VAL 36 -6.252 -2.864 -7.343 283 HG21 VAL 36 HG21 VAL 36 -9.195 -2.398 -6.451 284 HG22 VAL 36 HG22 VAL 36 -8.610 -2.477 -8.116 285 HG23 VAL 36 HG23 VAL 36 -9.519 -1.069 -7.567 286 H GLU 37 H GLU 37 -6.140 1.481 -6.860 287 HA GLU 37 HA GLU 37 -3.705 1.200 -5.495 288 HB2 GLU 37 HB2 GLU 37 -4.729 3.649 -6.997 289 HB3 GLU 37 HB3 GLU 37 -3.047 3.360 -6.553 290 HG2 GLU 37 HG2 GLU 37 -3.034 1.335 -7.987 291 HG3 GLU 37 HG3 GLU 37 -4.698 1.674 -8.462 292 H SER 38 H SER 38 -6.325 3.521 -4.929 293 HA SER 38 HA SER 38 -5.111 5.108 -2.922 294 HB2 SER 38 HB2 SER 38 -8.057 4.590 -3.506 295 HB3 SER 38 HB3 SER 38 -7.461 5.863 -2.439 296 HG SER 38 HG SER 38 -7.462 5.715 -5.205 297 H THR 39 H THR 39 -7.019 2.128 -2.738 298 HA THR 39 HA THR 39 -7.404 2.183 0.127 299 HB THR 39 HB THR 39 -7.913 -0.051 -1.890 300 HG1 THR 39 HG1 THR 39 -9.451 1.349 -2.366 301 HG21 THR 39 HG21 THR 39 -7.719 -0.990 0.398 302 HG22 THR 39 HG22 THR 39 -9.392 -1.041 -0.163 303 HG23 THR 39 HG23 THR 39 -8.886 0.197 0.990 304 H ALA 40 H ALA 40 -5.335 0.314 -2.111 305 HA ALA 40 HA ALA 40 -4.085 -1.465 -0.339 306 HB1 ALA 40 HB1 ALA 40 -2.345 -1.680 -2.084 307 HB2 ALA 40 HB2 ALA 40 -2.939 -0.212 -2.868 308 HB3 ALA 40 HB3 ALA 40 -3.959 -1.650 -2.799 309 H LEU 41 H LEU 41 -2.989 1.682 -1.484 310 HA LEU 41 HA LEU 41 -0.607 1.918 0.029 311 HB2 LEU 41 HB2 LEU 41 -0.998 3.066 -2.080 312 HB3 LEU 41 HB3 LEU 41 -2.377 3.913 -1.435 313 HG LEU 41 HG LEU 41 -0.151 5.209 -1.864 314 HD11 LEU 41 HD11 LEU 41 -2.092 6.195 -0.803 315 HD12 LEU 41 HD12 LEU 41 -0.598 6.774 -0.074 316 HD13 LEU 41 HD13 LEU 41 -1.580 5.571 0.768 317 HD21 LEU 41 HD21 LEU 41 0.568 4.088 0.864 318 HD22 LEU 41 HD22 LEU 41 1.462 5.304 -0.054 319 HD23 LEU 41 HD23 LEU 41 1.356 3.650 -0.656 320 H ALA 42 H ALA 42 -3.975 2.784 0.758 321 HA ALA 42 HA ALA 42 -3.495 4.243 3.180 322 HB1 ALA 42 HB1 ALA 42 -5.596 4.463 1.913 323 HB2 ALA 42 HB2 ALA 42 -5.908 3.994 3.585 324 HB3 ALA 42 HB3 ALA 42 -6.016 2.792 2.295 325 H VAL 43 H VAL 43 -4.107 0.781 2.503 326 HA VAL 43 HA VAL 43 -4.273 -0.140 5.184 327 HB VAL 43 HB VAL 43 -3.368 -1.660 2.690 328 HG11 VAL 43 HG11 VAL 43 -3.877 -3.751 3.940 329 HG12 VAL 43 HG12 VAL 43 -4.199 -2.806 5.395 330 HG13 VAL 43 HG13 VAL 43 -2.574 -2.844 4.710 331 HG21 VAL 43 HG21 VAL 43 -5.677 -2.556 2.632 332 HG22 VAL 43 HG22 VAL 43 -5.680 -0.797 2.511 333 HG23 VAL 43 HG23 VAL 43 -6.102 -1.573 4.036 334 H GLY 44 H GLY 44 -1.498 0.473 3.059 335 HA2 GLY 44 HA2 GLY 44 0.598 -0.572 4.643 336 HA3 GLY 44 HA3 GLY 44 0.750 0.745 3.487 337 H TRP 45 H TRP 45 -1.141 2.497 4.864 338 HA TRP 45 HA TRP 45 0.559 3.730 6.832 339 HB2 TRP 45 HB2 TRP 45 -0.952 4.959 5.218 340 HB3 TRP 45 HB3 TRP 45 -2.336 4.392 6.143 341 HD1 TRP 45 HD1 TRP 45 -3.014 5.836 8.241 342 HE1 TRP 45 HE1 TRP 45 -2.087 7.974 9.311 343 HE3 TRP 45 HE3 TRP 45 1.464 6.138 5.769 344 HZ2 TRP 45 HZ2 TRP 45 0.212 9.578 9.163 345 HZ3 TRP 45 HZ3 TRP 45 2.976 8.014 6.305 346 HH2 TRP 45 HH2 TRP 45 2.363 9.697 7.971 347 H LEU 46 H LEU 46 -2.302 1.633 6.979 348 HA LEU 46 HA LEU 46 -2.608 1.672 9.844 349 HB2 LEU 46 HB2 LEU 46 -3.494 -0.345 7.754 350 HB3 LEU 46 HB3 LEU 46 -3.924 -0.458 9.457 351 HG LEU 46 HG LEU 46 -4.728 1.800 7.579 352 HD11 LEU 46 HD11 LEU 46 -5.907 -0.300 7.078 353 HD12 LEU 46 HD12 LEU 46 -6.997 0.910 7.752 354 HD13 LEU 46 HD13 LEU 46 -6.431 -0.420 8.765 355 HD21 LEU 46 HD21 LEU 46 -6.128 2.607 9.450 356 HD22 LEU 46 HD22 LEU 46 -4.419 2.628 9.871 357 HD23 LEU 46 HD23 LEU 46 -5.464 1.351 10.500 358 H ALA 47 H ALA 47 -0.783 -0.372 7.578 359 HA ALA 47 HA ALA 47 0.292 -2.259 9.338 360 HB1 ALA 47 HB1 ALA 47 1.587 -1.103 6.845 361 HB2 ALA 47 HB2 ALA 47 0.458 -2.457 6.887 362 HB3 ALA 47 HB3 ALA 47 2.046 -2.612 7.642 363 H ARG 48 H ARG 48 1.342 1.065 8.652 364 HA ARG 48 HA ARG 48 3.660 1.357 10.156 365 HB2 ARG 48 HB2 ARG 48 2.690 3.211 8.901 366 HB3 ARG 48 HB3 ARG 48 1.246 3.192 9.902 367 HG2 ARG 48 HG2 ARG 48 2.633 3.925 11.857 368 HG3 ARG 48 HG3 ARG 48 4.028 4.040 10.779 369 HD2 ARG 48 HD2 ARG 48 3.079 6.247 11.079 370 HD3 ARG 48 HD3 ARG 48 2.781 5.729 9.420 371 HE ARG 48 HE ARG 48 0.468 5.164 10.165 372 HH11 ARG 48 HH11 ARG 48 2.257 7.487 12.004 373 HH12 ARG 48 HH12 ARG 48 0.838 8.272 12.591 374 HH21 ARG 48 HH21 ARG 48 -1.342 6.199 10.948 375 HH22 ARG 48 HH22 ARG 48 -1.170 7.547 12.012 376 H GLU 49 H GLU 49 0.303 1.477 11.288 377 HA GLU 49 HA GLU 49 0.915 1.883 14.075 378 HB2 GLU 49 HB2 GLU 49 -1.712 1.158 12.712 379 HB3 GLU 49 HB3 GLU 49 -1.537 1.766 14.356 380 HG2 GLU 49 HG2 GLU 49 -0.774 3.322 11.859 381 HG3 GLU 49 HG3 GLU 49 -2.321 3.470 12.696 382 H ASN 50 H ASN 50 0.841 -0.880 12.103 383 HA ASN 50 HA ASN 50 0.858 -3.124 12.355 384 HB2 ASN 50 HB2 ASN 50 1.533 -2.477 15.252 385 HB3 ASN 50 HB3 ASN 50 1.707 -4.068 14.516 386 HD21 ASN 50 HD21 ASN 50 2.715 -2.988 11.949 387 HD22 ASN 50 HD22 ASN 50 4.316 -2.454 12.279 388 H LYS 51 H LYS 51 -1.646 -1.589 12.863 389 HA LYS 51 HA LYS 51 -3.210 -3.267 14.678 390 HB2 LYS 51 HB2 LYS 51 -3.896 -0.794 13.042 391 HB3 LYS 51 HB3 LYS 51 -5.054 -1.629 14.078 392 HG2 LYS 51 HG2 LYS 51 -3.767 -1.101 16.062 393 HG3 LYS 51 HG3 LYS 51 -2.437 -0.465 15.092 394 HD2 LYS 51 HD2 LYS 51 -3.748 1.356 16.098 395 HD3 LYS 51 HD3 LYS 51 -3.856 1.405 14.338 396 HE2 LYS 51 HE2 LYS 51 -6.087 0.375 14.433 397 HE3 LYS 51 HE3 LYS 51 -5.973 0.247 16.189 398 HZ1 LYS 51 HZ1 LYS 51 -5.988 2.595 16.378 399 HZ2 LYS 51 HZ2 LYS 51 -7.274 2.155 15.372 400 HZ3 LYS 51 HZ3 LYS 51 -5.867 2.802 14.704 401 H VAL 52 H VAL 52 -2.243 -3.549 11.509 402 HA VAL 52 HA VAL 52 -4.491 -5.370 10.861 403 HB VAL 52 HB VAL 52 -4.187 -4.927 8.441 404 HG11 VAL 52 HG11 VAL 52 -5.250 -2.699 8.347 405 HG12 VAL 52 HG12 VAL 52 -4.780 -2.399 10.021 406 HG13 VAL 52 HG13 VAL 52 -5.928 -3.687 9.644 407 HG21 VAL 52 HG21 VAL 52 -1.824 -4.204 8.408 408 HG22 VAL 52 HG22 VAL 52 -2.243 -2.724 9.272 409 HG23 VAL 52 HG23 VAL 52 -2.843 -2.986 7.633 410 H VAL 53 H VAL 53 -3.946 -7.240 9.678 411 HA VAL 53 HA VAL 53 -1.096 -7.962 9.367 412 HB VAL 53 HB VAL 53 -1.727 -10.337 10.141 413 HG11 VAL 53 HG11 VAL 53 -1.823 -8.130 12.245 414 HG12 VAL 53 HG12 VAL 53 -0.358 -8.834 11.556 415 HG13 VAL 53 HG13 VAL 53 -1.427 -9.825 12.552 416 HG21 VAL 53 HG21 VAL 53 -4.163 -8.911 11.293 417 HG22 VAL 53 HG22 VAL 53 -3.689 -10.572 11.655 418 HG23 VAL 53 HG23 VAL 53 -4.184 -10.134 10.021 419 H ILE 54 H ILE 54 -0.645 -8.968 7.479 420 HA ILE 54 HA ILE 54 -2.857 -9.508 5.583 421 HB ILE 54 HB ILE 54 0.033 -8.699 5.010 422 HG12 ILE 54 HG12 ILE 54 -1.165 -6.739 3.773 423 HG13 ILE 54 HG13 ILE 54 -2.613 -7.218 4.645 424 HG21 ILE 54 HG21 ILE 54 -2.115 -9.453 2.994 425 HG22 ILE 54 HG22 ILE 54 -0.627 -10.342 3.328 426 HG23 ILE 54 HG23 ILE 54 -0.549 -8.743 2.592 427 HD11 ILE 54 HD11 ILE 54 -0.026 -6.274 5.886 428 HD12 ILE 54 HD12 ILE 54 -1.490 -6.725 6.763 429 HD13 ILE 54 HD13 ILE 54 -1.502 -5.329 5.686 430 H GLU 55 H GLU 55 -3.173 -11.552 4.946 431 HA GLU 55 HA GLU 55 -1.091 -13.624 5.363 432 HB2 GLU 55 HB2 GLU 55 -4.105 -13.718 5.523 433 HB3 GLU 55 HB3 GLU 55 -3.219 -15.187 5.148 434 HG2 GLU 55 HG2 GLU 55 -2.695 -13.533 7.628 435 HG3 GLU 55 HG3 GLU 55 -3.853 -14.860 7.569 436 H ARG 56 H ARG 56 -0.449 -14.865 3.702 437 HA ARG 56 HA ARG 56 -1.750 -14.616 1.051 438 HB2 ARG 56 HB2 ARG 56 1.161 -15.257 1.689 439 HB3 ARG 56 HB3 ARG 56 0.455 -15.219 0.071 440 HG2 ARG 56 HG2 ARG 56 -0.010 -12.815 0.315 441 HG3 ARG 56 HG3 ARG 56 0.664 -12.837 1.950 442 HD2 ARG 56 HD2 ARG 56 2.148 -13.358 -0.651 443 HD3 ARG 56 HD3 ARG 56 2.316 -11.948 0.402 444 HE ARG 56 HE ARG 56 2.907 -14.245 1.903 445 HH11 ARG 56 HH11 ARG 56 4.294 -12.490 -0.728 446 HH12 ARG 56 HH12 ARG 56 5.895 -13.008 -0.360 447 HH21 ARG 56 HH21 ARG 56 4.946 -14.906 2.341 448 HH22 ARG 56 HH22 ARG 56 6.266 -14.362 1.364 449 H LYS 57 H LYS 57 -2.667 -16.400 0.312 450 HA LYS 57 HA LYS 57 -1.820 -19.084 1.179 451 HB2 LYS 57 HB2 LYS 57 -4.138 -19.800 1.634 452 HB3 LYS 57 HB3 LYS 57 -3.637 -18.533 2.740 453 HG2 LYS 57 HG2 LYS 57 -5.466 -18.121 0.340 454 HG3 LYS 57 HG3 LYS 57 -6.024 -18.366 1.994 455 HD2 LYS 57 HD2 LYS 57 -4.309 -16.024 1.068 456 HD3 LYS 57 HD3 LYS 57 -6.063 -15.971 1.259 457 HE2 LYS 57 HE2 LYS 57 -4.060 -16.509 3.475 458 HE3 LYS 57 HE3 LYS 57 -4.891 -14.981 3.186 459 HZ1 LYS 57 HZ1 LYS 57 -6.993 -16.085 3.591 460 HZ2 LYS 57 HZ2 LYS 57 -5.963 -16.249 4.924 461 HZ3 LYS 57 HZ3 LYS 57 -6.200 -17.554 3.879 462 H ASN 58 H ASN 58 -1.506 -20.285 -0.603 463 HA ASN 58 HA ASN 58 -1.471 -21.015 -2.749 464 HB2 ASN 58 HB2 ASN 58 -3.760 -21.722 -1.992 465 HB3 ASN 58 HB3 ASN 58 -4.422 -20.227 -2.635 466 HD21 ASN 58 HD21 ASN 58 -5.791 -21.235 -4.037 467 HD22 ASN 58 HD22 ASN 58 -5.261 -22.097 -5.434 468 H GLY 59 H GLY 59 -0.710 -18.257 -2.326 469 HA2 GLY 59 HA2 GLY 59 0.149 -16.591 -3.731 470 HA3 GLY 59 HA3 GLY 59 -0.844 -17.191 -5.044 471 H LEU 60 H LEU 60 -3.047 -16.923 -2.700 472 HA LEU 60 HA LEU 60 -4.126 -14.405 -3.675 473 HB2 LEU 60 HB2 LEU 60 -5.217 -16.414 -1.658 474 HB3 LEU 60 HB3 LEU 60 -6.116 -15.043 -2.297 475 HG LEU 60 HG LEU 60 -5.114 -17.406 -3.944 476 HD11 LEU 60 HD11 LEU 60 -6.892 -18.094 -2.411 477 HD12 LEU 60 HD12 LEU 60 -7.461 -18.113 -4.077 478 HD13 LEU 60 HD13 LEU 60 -7.936 -16.796 -3.000 479 HD21 LEU 60 HD21 LEU 60 -6.508 -16.489 -5.767 480 HD22 LEU 60 HD22 LEU 60 -5.239 -15.364 -5.296 481 HD23 LEU 60 HD23 LEU 60 -6.900 -15.085 -4.770 482 H ILE 61 H ILE 61 -3.757 -12.495 -2.688 483 HA ILE 61 HA ILE 61 -2.768 -12.352 0.087 484 HB ILE 61 HB ILE 61 -3.004 -10.174 -2.046 485 HG12 ILE 61 HG12 ILE 61 -0.533 -11.721 -1.123 486 HG13 ILE 61 HG13 ILE 61 -1.364 -11.961 -2.656 487 HG21 ILE 61 HG21 ILE 61 -1.593 -10.075 0.648 488 HG22 ILE 61 HG22 ILE 61 -3.065 -9.205 0.215 489 HG23 ILE 61 HG23 ILE 61 -1.543 -8.809 -0.581 490 HD11 ILE 61 HD11 ILE 61 0.094 -9.463 -1.798 491 HD12 ILE 61 HD12 ILE 61 -0.743 -9.689 -3.337 492 HD13 ILE 61 HD13 ILE 61 0.663 -10.677 -2.942 493 H GLU 62 H GLU 62 -4.127 -11.789 1.737 494 HA GLU 62 HA GLU 62 -6.584 -10.219 1.214 495 HB2 GLU 62 HB2 GLU 62 -6.447 -12.669 3.034 496 HB3 GLU 62 HB3 GLU 62 -7.846 -11.616 2.837 497 HG2 GLU 62 HG2 GLU 62 -7.977 -12.295 0.444 498 HG3 GLU 62 HG3 GLU 62 -6.636 -13.410 0.707 499 H ILE 63 H ILE 63 -7.135 -8.755 2.779 500 HA ILE 63 HA ILE 63 -5.114 -8.124 4.824 501 HB ILE 63 HB ILE 63 -7.359 -6.413 3.648 502 HG12 ILE 63 HG12 ILE 63 -5.416 -4.943 2.891 503 HG13 ILE 63 HG13 ILE 63 -4.314 -6.198 3.437 504 HG21 ILE 63 HG21 ILE 63 -5.416 -5.642 5.868 505 HG22 ILE 63 HG22 ILE 63 -7.164 -5.825 6.021 506 HG23 ILE 63 HG23 ILE 63 -6.501 -4.522 5.037 507 HD11 ILE 63 HD11 ILE 63 -4.616 -6.238 1.040 508 HD12 ILE 63 HD12 ILE 63 -6.355 -6.464 1.233 509 HD13 ILE 63 HD13 ILE 63 -5.234 -7.720 1.766 510 H TYR 64 H TYR 64 -5.481 -8.827 6.771 511 HA TYR 64 HA TYR 64 -8.201 -9.023 7.942 512 HB2 TYR 64 HB2 TYR 64 -5.555 -10.282 8.840 513 HB3 TYR 64 HB3 TYR 64 -7.090 -10.480 9.670 514 HD1 TYR 64 HD1 TYR 64 -5.445 -11.109 6.344 515 HD2 TYR 64 HD2 TYR 64 -8.463 -12.358 9.113 516 HE1 TYR 64 HE1 TYR 64 -5.895 -13.086 4.965 517 HE2 TYR 64 HE2 TYR 64 -8.908 -14.337 7.721 518 HH TYR 64 HH TYR 64 -8.608 -14.944 5.240 519 H ASN 65 H ASN 65 -8.362 -8.287 10.216 520 HA ASN 65 HA ASN 65 -6.620 -6.015 10.935 521 HB2 ASN 65 HB2 ASN 65 -8.296 -5.589 12.733 522 HB3 ASN 65 HB3 ASN 65 -9.047 -5.629 11.143 523 HD21 ASN 65 HD21 ASN 65 -10.042 -6.200 13.965 524 HD22 ASN 65 HD22 ASN 65 -10.875 -7.695 13.791 525 H GLU 66 H GLU 66 -5.700 -5.949 13.146 526 HA GLU 66 HA GLU 66 -4.791 -8.503 14.148 527 HB2 GLU 66 HB2 GLU 66 -3.330 -6.513 14.287 528 HB3 GLU 66 HB3 GLU 66 -4.476 -5.727 15.367 529 HG2 GLU 66 HG2 GLU 66 -2.514 -6.694 16.561 530 HG3 GLU 66 HG3 GLU 66 -4.053 -7.354 17.108 531 H GLY 67 H GLY 67 -5.540 -9.607 15.918 532 HA2 GLY 67 HA2 GLY 67 -7.143 -9.380 17.948 533 HA3 GLY 67 HA3 GLY 67 -8.327 -8.985 16.707 534 H HIS 68 H HIS 68 -6.356 -11.078 15.201 535 HA HIS 68 HA HIS 68 -8.151 -13.366 15.613 536 HB2 HIS 68 HB2 HIS 68 -6.015 -12.803 13.515 537 HB3 HIS 68 HB3 HIS 68 -6.991 -14.268 13.559 538 HD1 HIS 68 HD1 HIS 68 -8.902 -14.173 12.012 539 HD2 HIS 68 HD2 HIS 68 -7.897 -10.387 13.363 540 HE1 HIS 68 HE1 HIS 68 -10.424 -12.613 10.796 541 HE2 HIS 68 HE2 HIS 68 -9.993 -10.386 11.848 542 H PHE 69 H PHE 69 -5.025 -12.365 16.628 543 HA PHE 69 HA PHE 69 -3.977 -15.122 16.915 544 HB2 PHE 69 HB2 PHE 69 -2.533 -12.443 17.143 545 HB3 PHE 69 HB3 PHE 69 -1.774 -14.031 17.255 546 HD1 PHE 69 HD2 PHE 69 -1.949 -15.607 15.217 547 HD2 PHE 69 HD1 PHE 69 -2.823 -11.425 14.997 548 HE1 PHE 69 HE2 PHE 69 -1.698 -15.671 12.775 549 HE2 PHE 69 HE1 PHE 69 -2.571 -11.511 12.559 550 HZ PHE 69 HZ PHE 69 -2.008 -13.627 11.442 551 H ASP 70 H ASP 70 -4.716 -12.197 18.769 552 HA ASP 70 HA ASP 70 -3.907 -13.390 21.305 553 HB2 ASP 70 HB2 ASP 70 -4.643 -11.235 22.296 554 HB3 ASP 70 HB3 ASP 70 -3.514 -10.995 20.966 555 H PHE 71 H PHE 71 -5.288 -13.800 23.021 556 HA PHE 71 HA PHE 71 -7.931 -14.826 22.440 557 HB2 PHE 71 HB2 PHE 71 -6.327 -15.975 23.972 558 HB3 PHE 71 HB3 PHE 71 -6.420 -14.613 25.081 559 HD1 PHE 71 HD2 PHE 71 -8.816 -16.924 23.306 560 HD2 PHE 71 HD1 PHE 71 -7.773 -14.978 26.975 561 HE1 PHE 71 HE2 PHE 71 -10.717 -18.003 24.431 562 HE2 PHE 71 HE1 PHE 71 -9.681 -16.066 28.085 563 HZ PHE 71 HZ PHE 71 -11.152 -17.577 26.815 564 H SER 72 H SER 72 -6.701 -11.784 23.470 565 HA SER 72 HA SER 72 -8.670 -10.921 25.317 566 HB2 SER 72 HB2 SER 72 -6.843 -9.234 23.554 567 HB3 SER 72 HB3 SER 72 -7.729 -8.649 24.967 568 HG SER 72 HG SER 72 -5.852 -9.153 25.845 569 H PHE 73 H PHE 73 -8.501 -10.625 21.771 570 HA PHE 73 HA PHE 73 -10.711 -8.793 21.547 571 HB2 PHE 73 HB2 PHE 73 -8.905 -8.915 19.849 572 HB3 PHE 73 HB3 PHE 73 -9.428 -10.535 19.405 573 HD1 PHE 73 HD2 PHE 73 -10.574 -6.960 19.502 574 HD2 PHE 73 HD1 PHE 73 -11.137 -10.821 17.730 575 HE1 PHE 73 HE2 PHE 73 -12.124 -5.989 17.855 576 HE2 PHE 73 HE1 PHE 73 -12.689 -9.834 16.096 577 HZ PHE 73 HZ PHE 73 -13.181 -7.422 16.152 578 H GLY 74 H GLY 74 -12.830 -9.179 21.014 579 HA2 GLY 74 HA2 GLY 74 -14.234 -11.168 19.934 580 HA3 GLY 74 HA3 GLY 74 -13.939 -11.838 21.538 581 H LEU 75 H LEU 75 -15.141 -11.146 23.232 582 HA LEU 75 HA LEU 75 -16.607 -10.114 24.556 583 HB2 LEU 75 HB2 LEU 75 -15.858 -7.693 22.901 584 HB3 LEU 75 HB3 LEU 75 -16.964 -7.593 24.261 585 HG LEU 75 HG LEU 75 -15.088 -8.517 25.739 586 HD11 LEU 75 HD11 LEU 75 -13.306 -7.917 23.361 587 HD12 LEU 75 HD12 LEU 75 -13.660 -9.514 24.017 588 HD13 LEU 75 HD13 LEU 75 -12.770 -8.346 24.990 589 HD21 LEU 75 HD21 LEU 75 -14.560 -5.836 24.418 590 HD22 LEU 75 HD22 LEU 75 -13.949 -6.365 25.989 591 HD23 LEU 75 HD23 LEU 75 -15.679 -6.137 25.752 592 H GLU 76 H GLU 76 -17.506 -8.494 21.452 593 HA GLU 76 HA GLU 76 -20.038 -9.940 21.315 594 HB2 GLU 76 HB2 GLU 76 -20.527 -8.104 22.921 595 HB3 GLU 76 HB3 GLU 76 -20.012 -6.915 21.725 596 HG2 GLU 76 HG2 GLU 76 -21.868 -7.622 20.240 597 HG3 GLU 76 HG3 GLU 76 -22.377 -8.804 21.448 598 H HIS 77 H HIS 77 -20.303 -10.405 19.199 599 HA HIS 77 HA HIS 77 -19.456 -8.581 17.069 600 HB2 HIS 77 HB2 HIS 77 -20.388 -10.315 15.510 601 HB3 HIS 77 HB3 HIS 77 -19.165 -10.950 16.596 602 HD1 HIS 77 HD1 HIS 77 -22.805 -11.214 15.776 603 HD2 HIS 77 HD2 HIS 77 -20.091 -12.906 18.427 604 HE1 HIS 77 HE1 HIS 77 -23.976 -13.199 16.759 605 HE2 HIS 77 HE2 HIS 77 -22.390 -14.092 18.479 606 H HIS 78 H HIS 78 -20.761 -7.056 16.209 607 HA HIS 78 HA HIS 78 -23.435 -6.690 17.346 608 HB2 HIS 78 HB2 HIS 78 -21.934 -4.797 15.478 609 HB3 HIS 78 HB3 HIS 78 -23.292 -4.404 16.533 610 HD1 HIS 78 HD1 HIS 78 -22.678 -4.831 19.224 611 HD2 HIS 78 HD2 HIS 78 -19.515 -4.225 16.595 612 HE1 HIS 78 HE1 HIS 78 -20.717 -4.230 20.665 613 HE2 HIS 78 HE2 HIS 78 -18.876 -3.699 19.044 614 H HIS 79 H HIS 79 -22.186 -6.199 13.989 615 HA HIS 79 HA HIS 79 -22.844 -6.861 11.937 616 HB2 HIS 79 HB2 HIS 79 -22.319 -9.079 12.820 617 HB3 HIS 79 HB3 HIS 79 -23.930 -9.237 13.498 618 HD1 HIS 79 HD1 HIS 79 -22.117 -9.270 10.178 619 HD2 HIS 79 HD2 HIS 79 -25.839 -10.252 11.747 620 HE1 HIS 79 HE1 HIS 79 -23.301 -10.542 8.370 621 HE2 HIS 79 HE2 HIS 79 -25.563 -11.076 9.314 622 H HIS 80 H HIS 80 -24.264 -5.459 11.055 623 HA HIS 80 HA HIS 80 -26.147 -4.529 10.228 624 HB2 HIS 80 HB2 HIS 80 -26.847 -6.891 9.758 625 HB3 HIS 80 HB3 HIS 80 -27.644 -6.954 11.323 626 HD1 HIS 80 HD1 HIS 80 -29.941 -5.798 11.523 627 HD2 HIS 80 HD2 HIS 80 -28.209 -5.389 7.773 628 HE1 HIS 80 HE1 HIS 80 -31.761 -4.932 10.042 629 HE2 HIS 80 HE2 HIS 80 -30.718 -4.773 7.764 630 H HIS 81 H HIS 81 -25.532 -4.740 13.449 631 HA HIS 81 HA HIS 81 -27.828 -3.511 14.633 632 HB2 HIS 81 HB2 HIS 81 -26.136 -4.764 15.967 633 HB3 HIS 81 HB3 HIS 81 -24.918 -3.563 15.560 634 HD1 HIS 81 HD1 HIS 81 -27.828 -4.175 17.811 635 HD2 HIS 81 HD2 HIS 81 -25.124 -1.130 17.012 636 HE1 HIS 81 HE1 HIS 81 -28.037 -2.579 19.729 637 HE2 HIS 81 HE2 HIS 81 -26.246 -0.869 19.321 638 H HIS 82 H HIS 82 -28.510 -1.653 13.714 639 HA HIS 82 HA HIS 82 -26.943 0.242 12.328 640 HB2 HIS 82 HB2 HIS 82 -29.391 -0.184 11.962 641 HB3 HIS 82 HB3 HIS 82 -29.736 0.597 13.499 642 HD1 HIS 82 HD1 HIS 82 -28.836 1.310 9.951 643 HD2 HIS 82 HD2 HIS 82 -29.537 3.450 13.443 644 HE1 HIS 82 HE1 HIS 82 -29.092 3.699 9.236 645 HE2 HIS 82 HE2 HIS 82 -29.623 4.955 11.343 646 H1 MET 1 H MET 1 3.148 -11.231 9.804 647 HA MET 1 HA MET 1 5.653 -12.464 9.581 648 HB2 MET 1 HB2 MET 1 5.362 -13.764 7.446 649 HB3 MET 1 HB3 MET 1 4.541 -14.476 8.826 650 HG2 MET 1 HG2 MET 1 2.395 -13.632 8.034 651 HG3 MET 1 HG3 MET 1 3.191 -12.805 6.692 652 HE1 MET 1 HE1 MET 1 1.270 -15.724 4.894 653 HE2 MET 1 HE2 MET 1 1.489 -13.978 5.004 654 HE3 MET 1 HE3 MET 1 0.712 -14.857 6.325 655 H ASP 2 H ASP 2 3.032 -10.830 7.887 656 HA ASP 2 HA ASP 2 4.245 -9.835 5.608 657 HB2 ASP 2 HB2 ASP 2 2.432 -8.069 5.657 658 HB3 ASP 2 HB3 ASP 2 1.847 -9.714 5.873 659 H LYS 3 H LYS 3 4.175 -8.379 8.826 660 HA LYS 3 HA LYS 3 5.177 -5.841 8.462 661 HB2 LYS 3 HB2 LYS 3 4.301 -6.839 10.564 662 HB3 LYS 3 HB3 LYS 3 5.778 -7.776 10.734 663 HG2 LYS 3 HG2 LYS 3 7.070 -5.675 11.021 664 HG3 LYS 3 HG3 LYS 3 5.578 -4.742 10.851 665 HD2 LYS 3 HD2 LYS 3 6.260 -6.713 13.075 666 HD3 LYS 3 HD3 LYS 3 6.113 -4.960 13.225 667 HE2 LYS 3 HE2 LYS 3 3.698 -5.109 12.712 668 HE3 LYS 3 HE3 LYS 3 3.837 -6.854 12.504 669 HZ1 LYS 3 HZ1 LYS 3 2.951 -6.295 14.648 670 HZ2 LYS 3 HZ2 LYS 3 4.316 -5.366 15.015 671 HZ3 LYS 3 HZ3 LYS 3 4.460 -7.039 14.819 672 H LYS 4 H LYS 4 7.057 -8.835 8.875 673 HA LYS 4 HA LYS 4 9.657 -7.576 8.753 674 HB2 LYS 4 HB2 LYS 4 8.879 -10.517 8.563 675 HB3 LYS 4 HB3 LYS 4 10.516 -9.906 8.817 676 HG2 LYS 4 HG2 LYS 4 9.878 -8.988 10.991 677 HG3 LYS 4 HG3 LYS 4 8.195 -9.460 10.735 678 HD2 LYS 4 HD2 LYS 4 10.551 -11.381 10.961 679 HD3 LYS 4 HD3 LYS 4 9.403 -11.016 12.253 680 HE2 LYS 4 HE2 LYS 4 7.564 -11.952 10.881 681 HE3 LYS 4 HE3 LYS 4 8.711 -12.304 9.584 682 HZ1 LYS 4 HZ1 LYS 4 8.242 -14.249 10.913 683 HZ2 LYS 4 HZ2 LYS 4 8.774 -13.463 12.312 684 HZ3 LYS 4 HZ3 LYS 4 9.869 -13.807 11.067 685 H ILE 5 H ILE 5 7.627 -9.456 6.515 686 HA ILE 5 HA ILE 5 9.434 -9.786 4.382 687 HB ILE 5 HB ILE 5 6.389 -9.563 4.258 688 HG12 ILE 5 HG12 ILE 5 8.136 -12.070 4.435 689 HG13 ILE 5 HG13 ILE 5 7.252 -11.374 5.789 690 HG21 ILE 5 HG21 ILE 5 6.543 -10.817 2.113 691 HG22 ILE 5 HG22 ILE 5 8.303 -10.734 2.196 692 HG23 ILE 5 HG23 ILE 5 7.360 -9.254 2.015 693 HD11 ILE 5 HD11 ILE 5 6.093 -13.295 4.884 694 HD12 ILE 5 HD12 ILE 5 6.037 -12.550 3.287 695 HD13 ILE 5 HD13 ILE 5 5.137 -11.835 4.628 696 H VAL 6 H VAL 6 6.804 -7.335 4.653 697 HA VAL 6 HA VAL 6 7.489 -5.837 2.372 698 HB VAL 6 HB VAL 6 6.012 -4.057 3.222 699 HG11 VAL 6 HG11 VAL 6 3.926 -5.374 3.413 700 HG12 VAL 6 HG12 VAL 6 4.870 -6.839 3.699 701 HG13 VAL 6 HG13 VAL 6 4.978 -6.008 2.144 702 HG21 VAL 6 HG21 VAL 6 4.896 -4.250 5.448 703 HG22 VAL 6 HG22 VAL 6 6.640 -4.037 5.603 704 HG23 VAL 6 HG23 VAL 6 5.925 -5.631 5.836 705 H GLY 7 H GLY 7 8.708 -5.668 5.690 706 HA2 GLY 7 HA2 GLY 7 10.133 -3.241 5.607 707 HA3 GLY 7 HA3 GLY 7 10.555 -4.640 6.583 708 H ALA 8 H ALA 8 11.248 -6.546 4.837 709 HA ALA 8 HA ALA 8 13.851 -5.923 3.938 710 HB1 ALA 8 HB1 ALA 8 13.138 -8.198 4.571 711 HB2 ALA 8 HB2 ALA 8 13.842 -8.186 2.953 712 HB3 ALA 8 HB3 ALA 8 12.088 -8.274 3.154 713 H ASN 9 H ASN 9 10.762 -6.068 2.191 714 HA ASN 9 HA ASN 9 11.985 -5.618 -0.418 715 HB2 ASN 9 HB2 ASN 9 9.086 -5.945 0.437 716 HB3 ASN 9 HB3 ASN 9 9.574 -5.640 -1.230 717 HD21 ASN 9 HD21 ASN 9 9.328 -8.020 1.246 718 HD22 ASN 9 HD22 ASN 9 9.922 -9.348 0.326 719 H ALA 10 H ALA 10 10.940 -3.542 2.101 720 HA ALA 10 HA ALA 10 9.891 -1.367 0.529 721 HB1 ALA 10 HB1 ALA 10 11.005 -1.331 3.360 722 HB2 ALA 10 HB2 ALA 10 9.325 -1.622 2.912 723 HB3 ALA 10 HB3 ALA 10 10.053 -0.048 2.601 724 H GLY 11 H GLY 11 13.084 -2.148 1.885 725 HA2 GLY 11 HA2 GLY 11 14.448 0.217 1.004 726 HA3 GLY 11 HA3 GLY 11 15.196 -1.306 1.463 727 H LYS 12 H LYS 12 13.713 -2.886 -0.485 728 HA LYS 12 HA LYS 12 15.425 -2.690 -2.751 729 HB2 LYS 12 HB2 LYS 12 14.475 -4.817 -1.849 730 HB3 LYS 12 HB3 LYS 12 12.873 -4.323 -2.387 731 HG2 LYS 12 HG2 LYS 12 13.580 -4.433 -4.721 732 HG3 LYS 12 HG3 LYS 12 15.245 -4.770 -4.231 733 HD2 LYS 12 HD2 LYS 12 14.484 -6.907 -3.190 734 HD3 LYS 12 HD3 LYS 12 12.837 -6.572 -3.736 735 HE2 LYS 12 HE2 LYS 12 13.986 -8.166 -5.226 736 HE3 LYS 12 HE3 LYS 12 13.575 -6.679 -6.076 737 HZ1 LYS 12 HZ1 LYS 12 16.254 -7.339 -4.978 738 HZ2 LYS 12 HZ2 LYS 12 15.846 -5.948 -5.852 739 HZ3 LYS 12 HZ3 LYS 12 15.797 -7.457 -6.603 740 H VAL 13 H VAL 13 11.922 -1.971 -2.294 741 HA VAL 13 HA VAL 13 11.528 -1.002 -4.965 742 HB VAL 13 HB VAL 13 9.311 -0.201 -4.255 743 HG11 VAL 13 HG11 VAL 13 8.321 -2.359 -3.556 744 HG12 VAL 13 HG12 VAL 13 9.925 -2.959 -3.126 745 HG13 VAL 13 HG13 VAL 13 9.545 -2.588 -4.810 746 HG21 VAL 13 HG21 VAL 13 9.840 0.693 -2.027 747 HG22 VAL 13 HG22 VAL 13 10.120 -0.937 -1.417 748 HG23 VAL 13 HG23 VAL 13 8.500 -0.453 -1.925 749 H TRP 14 H TRP 14 12.413 0.561 -1.912 750 HA TRP 14 HA TRP 14 12.238 3.252 -2.862 751 HB2 TRP 14 HB2 TRP 14 12.395 2.503 -0.377 752 HB3 TRP 14 HB3 TRP 14 14.135 2.428 -0.626 753 HD1 TRP 14 HD1 TRP 14 11.268 4.946 -0.216 754 HE1 TRP 14 HE1 TRP 14 12.237 7.309 0.027 755 HE3 TRP 14 HE3 TRP 14 16.136 3.943 -1.326 756 HZ2 TRP 14 HZ2 TRP 14 14.736 8.591 -0.211 757 HZ3 TRP 14 HZ3 TRP 14 17.778 5.792 -1.300 758 HH2 TRP 14 HH2 TRP 14 17.082 8.074 -0.754 759 H HIS 15 H HIS 15 14.854 0.839 -2.920 760 HA HIS 15 HA HIS 15 16.933 2.384 -4.011 761 HB2 HIS 15 HB2 HIS 15 17.416 0.112 -3.321 762 HB3 HIS 15 HB3 HIS 15 16.220 -0.550 -4.428 763 HD1 HIS 15 HD1 HIS 15 19.631 1.106 -4.461 764 HD2 HIS 15 HD2 HIS 15 17.174 -1.102 -6.984 765 HE1 HIS 15 HE1 HIS 15 21.024 0.593 -6.483 766 HE2 HIS 15 HE2 HIS 15 19.443 -0.529 -8.075 767 H ALA 16 H ALA 16 14.285 0.656 -5.630 768 HA ALA 16 HA ALA 16 14.950 1.403 -8.296 769 HB1 ALA 16 HB1 ALA 16 12.319 0.467 -7.122 770 HB2 ALA 16 HB2 ALA 16 13.593 -0.560 -7.781 771 HB3 ALA 16 HB3 ALA 16 12.707 0.535 -8.843 772 H LEU 17 H LEU 17 12.979 2.941 -5.791 773 HA LEU 17 HA LEU 17 11.966 5.145 -7.302 774 HB2 LEU 17 HB2 LEU 17 12.473 4.690 -4.347 775 HB3 LEU 17 HB3 LEU 17 11.843 6.218 -4.933 776 HG LEU 17 HG LEU 17 10.426 3.565 -5.398 777 HD11 LEU 17 HD11 LEU 17 9.890 5.598 -3.202 778 HD12 LEU 17 HD12 LEU 17 10.589 3.993 -2.975 779 HD13 LEU 17 HD13 LEU 17 8.929 4.155 -3.550 780 HD21 LEU 17 HD21 LEU 17 9.827 5.331 -6.994 781 HD22 LEU 17 HD22 LEU 17 9.484 6.447 -5.669 782 HD23 LEU 17 HD23 LEU 17 8.480 5.011 -5.902 783 H ASN 18 H ASN 18 15.020 4.538 -5.645 784 HA ASN 18 HA ASN 18 16.040 7.217 -5.674 785 HB2 ASN 18 HB2 ASN 18 16.815 5.587 -4.012 786 HB3 ASN 18 HB3 ASN 18 17.397 4.513 -5.275 787 HD21 ASN 18 HD21 ASN 18 17.987 7.548 -3.612 788 HD22 ASN 18 HD22 ASN 18 19.640 7.688 -4.077 789 H GLU 19 H GLU 19 16.124 4.509 -7.926 790 HA GLU 19 HA GLU 19 18.086 5.595 -9.753 791 HB2 GLU 19 HB2 GLU 19 15.963 3.446 -10.194 792 HB3 GLU 19 HB3 GLU 19 17.345 3.760 -11.244 793 HG2 GLU 19 HG2 GLU 19 18.888 3.005 -9.529 794 HG3 GLU 19 HG3 GLU 19 17.580 2.859 -8.357 795 H ALA 20 H ALA 20 14.529 5.320 -9.702 796 HA ALA 20 HA ALA 20 14.216 7.565 -11.595 797 HB1 ALA 20 HB1 ALA 20 12.494 6.324 -12.867 798 HB2 ALA 20 HB2 ALA 20 12.804 4.882 -11.894 799 HB3 ALA 20 HB3 ALA 20 14.059 5.513 -12.962 800 H ASP 21 H ASP 21 12.420 8.869 -11.094 801 HA ASP 21 HA ASP 21 11.295 8.300 -8.403 802 HB2 ASP 21 HB2 ASP 21 13.196 9.983 -8.524 803 HB3 ASP 21 HB3 ASP 21 12.140 11.023 -9.474 804 H GLY 22 H GLY 22 9.228 9.147 -7.869 805 HA2 GLY 22 HA2 GLY 22 6.979 9.466 -8.238 806 HA3 GLY 22 HA3 GLY 22 7.418 10.433 -9.640 807 H ILE 23 H ILE 23 8.342 7.067 -9.327 808 HA ILE 23 HA ILE 23 7.354 6.497 -11.975 809 HB ILE 23 HB ILE 23 9.561 5.695 -11.281 810 HG12 ILE 23 HG12 ILE 23 7.661 3.340 -11.728 811 HG13 ILE 23 HG13 ILE 23 8.386 4.330 -12.992 812 HG21 ILE 23 HG21 ILE 23 9.145 5.402 -8.873 813 HG22 ILE 23 HG22 ILE 23 9.899 3.964 -9.561 814 HG23 ILE 23 HG23 ILE 23 8.170 3.967 -9.203 815 HD11 ILE 23 HD11 ILE 23 9.827 2.472 -11.105 816 HD12 ILE 23 HD12 ILE 23 10.614 3.513 -12.295 817 HD13 ILE 23 HD13 ILE 23 9.529 2.228 -12.825 818 H SER 24 H SER 24 5.748 5.061 -12.601 819 HA SER 24 HA SER 24 3.478 4.587 -10.999 820 HB2 SER 24 HB2 SER 24 4.312 3.167 -13.570 821 HB3 SER 24 HB3 SER 24 2.686 3.156 -12.879 822 HG SER 24 HG SER 24 3.109 5.632 -13.040 823 H ILE 25 H ILE 25 2.702 2.751 -9.954 824 HA ILE 25 HA ILE 25 4.527 1.201 -8.513 825 HB ILE 25 HB ILE 25 1.545 0.701 -8.889 826 HG12 ILE 25 HG12 ILE 25 2.995 2.231 -6.669 827 HG13 ILE 25 HG13 ILE 25 2.122 2.981 -7.999 828 HG21 ILE 25 HG21 ILE 25 1.645 -0.554 -6.744 829 HG22 ILE 25 HG22 ILE 25 3.401 -0.380 -6.726 830 HG23 ILE 25 HG23 ILE 25 2.619 -1.319 -8.000 831 HD11 ILE 25 HD11 ILE 25 0.814 3.010 -5.961 832 HD12 ILE 25 HD12 ILE 25 0.902 1.253 -5.841 833 HD13 ILE 25 HD13 ILE 25 0.029 2.006 -7.179 834 HA PRO 26 HA PRO 26 3.499 -2.718 -11.307 835 HB2 PRO 26 HB2 PRO 26 2.686 -2.298 -13.909 836 HB3 PRO 26 HB3 PRO 26 1.555 -2.527 -12.567 837 HG2 PRO 26 HG2 PRO 26 2.535 0.059 -13.791 838 HG3 PRO 26 HG3 PRO 26 0.866 -0.429 -13.411 839 HD2 PRO 26 HD2 PRO 26 2.230 1.182 -11.742 840 HD3 PRO 26 HD3 PRO 26 1.154 -0.078 -11.095 841 H GLU 27 H GLU 27 4.876 0.223 -12.689 842 HA GLU 27 HA GLU 27 6.782 -1.071 -14.453 843 HB2 GLU 27 HB2 GLU 27 5.865 1.232 -14.844 844 HB3 GLU 27 HB3 GLU 27 6.692 1.795 -13.391 845 HG2 GLU 27 HG2 GLU 27 7.886 2.416 -15.476 846 HG3 GLU 27 HG3 GLU 27 8.864 1.398 -14.417 847 H LEU 28 H LEU 28 6.836 0.574 -11.396 848 HA LEU 28 HA LEU 28 9.426 0.233 -10.445 849 HB2 LEU 28 HB2 LEU 28 7.679 1.723 -9.555 850 HB3 LEU 28 HB3 LEU 28 6.712 0.340 -9.079 851 HG LEU 28 HG LEU 28 8.402 -0.237 -7.358 852 HD11 LEU 28 HD11 LEU 28 10.184 1.341 -6.773 853 HD12 LEU 28 HD12 LEU 28 9.777 2.342 -8.169 854 HD13 LEU 28 HD13 LEU 28 10.406 0.708 -8.402 855 HD21 LEU 28 HD21 LEU 28 7.317 2.596 -7.210 856 HD22 LEU 28 HD22 LEU 28 7.842 1.624 -5.828 857 HD23 LEU 28 HD23 LEU 28 6.448 1.116 -6.784 858 H ALA 29 H ALA 29 6.579 -1.880 -10.250 859 HA ALA 29 HA ALA 29 7.562 -3.981 -8.666 860 HB1 ALA 29 HB1 ALA 29 5.449 -4.135 -10.842 861 HB2 ALA 29 HB2 ALA 29 5.167 -3.651 -9.169 862 HB3 ALA 29 HB3 ALA 29 5.684 -5.297 -9.530 863 H ARG 30 H ARG 30 7.838 -3.410 -12.145 864 HA ARG 30 HA ARG 30 8.874 -5.928 -12.951 865 HB2 ARG 30 HB2 ARG 30 9.215 -3.163 -14.184 866 HB3 ARG 30 HB3 ARG 30 9.705 -4.661 -14.978 867 HG2 ARG 30 HG2 ARG 30 7.417 -5.426 -15.100 868 HG3 ARG 30 HG3 ARG 30 6.864 -4.083 -14.098 869 HD2 ARG 30 HD2 ARG 30 7.514 -2.489 -15.873 870 HD3 ARG 30 HD3 ARG 30 8.050 -3.837 -16.885 871 HE ARG 30 HE ARG 30 5.665 -4.634 -16.750 872 HH11 ARG 30 HH11 ARG 30 6.395 -1.258 -16.548 873 HH12 ARG 30 HH12 ARG 30 4.823 -0.790 -17.085 874 HH21 ARG 30 HH21 ARG 30 3.677 -4.009 -17.438 875 HH22 ARG 30 HH22 ARG 30 3.298 -2.328 -17.576 876 H LYS 31 H LYS 31 10.515 -2.946 -11.840 877 HA LYS 31 HA LYS 31 13.179 -3.912 -12.352 878 HB2 LYS 31 HB2 LYS 31 12.294 -1.586 -10.594 879 HB3 LYS 31 HB3 LYS 31 13.949 -1.910 -11.116 880 HG2 LYS 31 HG2 LYS 31 13.009 -1.715 -13.534 881 HG3 LYS 31 HG3 LYS 31 11.596 -0.968 -12.779 882 HD2 LYS 31 HD2 LYS 31 14.474 0.013 -12.577 883 HD3 LYS 31 HD3 LYS 31 13.210 0.725 -13.580 884 HE2 LYS 31 HE2 LYS 31 11.962 1.396 -11.589 885 HE3 LYS 31 HE3 LYS 31 13.120 0.568 -10.548 886 HZ1 LYS 31 HZ1 LYS 31 13.479 2.962 -10.656 887 HZ2 LYS 31 HZ2 LYS 31 13.775 2.855 -12.318 888 HZ3 LYS 31 HZ3 LYS 31 14.818 2.096 -11.220 889 H VAL 32 H VAL 32 11.019 -4.025 -9.564 890 HA VAL 32 HA VAL 32 13.114 -5.181 -7.842 891 HB VAL 32 HB VAL 32 11.526 -4.959 -5.990 892 HG11 VAL 32 HG11 VAL 32 11.673 -2.429 -7.678 893 HG12 VAL 32 HG12 VAL 32 12.906 -3.006 -6.552 894 HG13 VAL 32 HG13 VAL 32 11.332 -2.490 -5.947 895 HG21 VAL 32 HG21 VAL 32 9.285 -3.929 -6.283 896 HG22 VAL 32 HG22 VAL 32 9.409 -5.450 -7.168 897 HG23 VAL 32 HG23 VAL 32 9.517 -3.919 -8.035 898 H ASN 33 H ASN 33 10.831 -6.357 -10.024 899 HA ASN 33 HA ASN 33 10.199 -8.417 -10.664 900 HB2 ASN 33 HB2 ASN 33 12.646 -8.916 -10.129 901 HB3 ASN 33 HB3 ASN 33 12.119 -9.542 -8.576 902 HD21 ASN 33 HD21 ASN 33 11.898 -10.004 -12.050 903 HD22 ASN 33 HD22 ASN 33 11.530 -11.690 -11.986 904 H LEU 34 H LEU 34 8.972 -7.049 -8.173 905 HA LEU 34 HA LEU 34 7.671 -9.333 -6.823 906 HB2 LEU 34 HB2 LEU 34 7.460 -6.356 -6.207 907 HB3 LEU 34 HB3 LEU 34 6.803 -7.664 -5.232 908 HG LEU 34 HG LEU 34 9.766 -7.114 -5.688 909 HD11 LEU 34 HD11 LEU 34 8.065 -6.660 -3.217 910 HD12 LEU 34 HD12 LEU 34 8.729 -5.414 -4.278 911 HD13 LEU 34 HD13 LEU 34 9.813 -6.431 -3.333 912 HD21 LEU 34 HD21 LEU 34 9.373 -9.517 -5.399 913 HD22 LEU 34 HD22 LEU 34 8.452 -9.217 -3.924 914 HD23 LEU 34 HD23 LEU 34 10.180 -8.853 -3.978 915 H SER 35 H SER 35 5.325 -9.283 -6.518 916 HA SER 35 HA SER 35 3.732 -8.656 -8.790 917 HB2 SER 35 HB2 SER 35 2.821 -9.175 -5.916 918 HB3 SER 35 HB3 SER 35 1.804 -9.260 -7.357 919 HG SER 35 HG SER 35 2.461 -11.223 -7.596 920 H VAL 36 H VAL 36 2.068 -7.006 -8.999 921 HA VAL 36 HA VAL 36 2.892 -4.393 -8.450 922 HB VAL 36 HB VAL 36 0.051 -5.319 -9.081 923 HG11 VAL 36 HG11 VAL 36 -0.308 -3.033 -10.005 924 HG12 VAL 36 HG12 VAL 36 1.294 -2.558 -9.437 925 HG13 VAL 36 HG13 VAL 36 0.039 -2.992 -8.272 926 HG21 VAL 36 HG21 VAL 36 2.275 -4.486 -10.990 927 HG22 VAL 36 HG22 VAL 36 0.620 -4.880 -11.458 928 HG23 VAL 36 HG23 VAL 36 1.661 -6.128 -10.771 929 H GLU 37 H GLU 37 0.355 -6.276 -6.790 930 HA GLU 37 HA GLU 37 -0.396 -4.435 -4.797 931 HB2 GLU 37 HB2 GLU 37 -0.394 -7.478 -4.650 932 HB3 GLU 37 HB3 GLU 37 -1.279 -6.406 -3.563 933 HG2 GLU 37 HG2 GLU 37 -2.636 -5.593 -5.434 934 HG3 GLU 37 HG3 GLU 37 -1.728 -6.609 -6.551 935 H SER 38 H SER 38 2.157 -6.931 -4.726 936 HA SER 38 HA SER 38 2.951 -6.674 -2.011 937 HB2 SER 38 HB2 SER 38 3.575 -8.646 -3.351 938 HB3 SER 38 HB3 SER 38 4.559 -7.644 -4.418 939 HG SER 38 HG SER 38 6.104 -7.587 -2.954 940 H THR 39 H THR 39 4.025 -5.078 -4.955 941 HA THR 39 HA THR 39 6.214 -3.594 -3.908 942 HB THR 39 HB THR 39 4.507 -3.076 -6.391 943 HG1 THR 39 HG1 THR 39 5.486 -4.863 -6.979 944 HG21 THR 39 HG21 THR 39 7.297 -2.053 -5.720 945 HG22 THR 39 HG22 THR 39 5.833 -1.069 -5.789 946 HG23 THR 39 HG23 THR 39 6.456 -1.825 -7.257 947 H ALA 40 H ALA 40 2.810 -2.695 -4.624 948 HA ALA 40 HA ALA 40 2.815 -0.014 -3.781 949 HB1 ALA 40 HB1 ALA 40 0.497 -1.984 -3.696 950 HB2 ALA 40 HB2 ALA 40 0.992 -1.037 -5.099 951 HB3 ALA 40 HB3 ALA 40 0.362 -0.219 -3.670 952 H LEU 41 H LEU 41 2.294 -2.974 -1.939 953 HA LEU 41 HA LEU 41 1.509 -1.868 0.558 954 HB2 LEU 41 HB2 LEU 41 1.565 -4.373 -0.456 955 HB3 LEU 41 HB3 LEU 41 3.066 -4.447 0.438 956 HG LEU 41 HG LEU 41 0.244 -4.118 1.528 957 HD11 LEU 41 HD11 LEU 41 2.380 -6.209 1.989 958 HD12 LEU 41 HD12 LEU 41 0.936 -6.378 0.985 959 HD13 LEU 41 HD13 LEU 41 0.772 -6.193 2.730 960 HD21 LEU 41 HD21 LEU 41 1.146 -3.954 3.812 961 HD22 LEU 41 HD22 LEU 41 1.640 -2.571 2.841 962 HD23 LEU 41 HD23 LEU 41 2.793 -3.864 3.176 963 H ALA 42 H ALA 42 4.672 -2.959 -0.686 964 HA ALA 42 HA ALA 42 6.278 -2.331 1.559 965 HB1 ALA 42 HB1 ALA 42 7.083 -2.494 -1.367 966 HB2 ALA 42 HB2 ALA 42 7.015 -3.847 -0.235 967 HB3 ALA 42 HB3 ALA 42 8.187 -2.551 0.013 968 H VAL 43 H VAL 43 5.057 -0.355 -1.066 969 HA VAL 43 HA VAL 43 6.715 1.970 -0.536 970 HB VAL 43 HB VAL 43 4.183 1.653 -2.209 971 HG11 VAL 43 HG11 VAL 43 5.988 4.101 -2.000 972 HG12 VAL 43 HG12 VAL 43 4.313 3.992 -1.454 973 HG13 VAL 43 HG13 VAL 43 4.686 3.892 -3.174 974 HG21 VAL 43 HG21 VAL 43 7.100 1.943 -3.052 975 HG22 VAL 43 HG22 VAL 43 5.722 1.817 -4.148 976 HG23 VAL 43 HG23 VAL 43 6.149 0.456 -3.112 977 H GLY 44 H GLY 44 3.399 0.962 0.365 978 HA2 GLY 44 HA2 GLY 44 2.652 3.241 1.896 979 HA3 GLY 44 HA3 GLY 44 2.018 1.612 2.096 980 H TRP 45 H TRP 45 4.656 0.470 2.591 981 HA TRP 45 HA TRP 45 4.984 0.856 5.411 982 HB2 TRP 45 HB2 TRP 45 5.325 -1.314 4.153 983 HB3 TRP 45 HB3 TRP 45 6.785 -0.631 3.447 984 HD1 TRP 45 HD1 TRP 45 8.968 -1.027 4.811 985 HE1 TRP 45 HE1 TRP 45 9.518 -1.963 7.130 986 HE3 TRP 45 HE3 TRP 45 4.240 -1.310 6.723 987 HZ2 TRP 45 HZ2 TRP 45 8.160 -2.727 9.464 988 HZ3 TRP 45 HZ3 TRP 45 3.952 -2.161 9.017 989 HH2 TRP 45 HH2 TRP 45 5.872 -2.851 10.362 990 H LEU 46 H LEU 46 6.677 2.051 2.519 991 HA LEU 46 HA LEU 46 8.812 3.413 3.877 992 HB2 LEU 46 HB2 LEU 46 7.566 3.835 1.138 993 HB3 LEU 46 HB3 LEU 46 8.988 4.708 1.698 994 HG LEU 46 HG LEU 46 8.846 1.682 1.391 995 HD11 LEU 46 HD11 LEU 46 10.256 1.976 -0.603 996 HD12 LEU 46 HD12 LEU 46 10.104 3.729 -0.465 997 HD13 LEU 46 HD13 LEU 46 8.677 2.738 -0.797 998 HD21 LEU 46 HD21 LEU 46 11.295 1.759 1.688 999 HD22 LEU 46 HD22 LEU 46 10.458 2.393 3.103 1000 HD23 LEU 46 HD23 LEU 46 11.218 3.503 1.958 1001 H ALA 47 H ALA 47 5.517 4.329 2.931 1002 HA ALA 47 HA ALA 47 5.528 7.079 3.439 1003 HB1 ALA 47 HB1 ALA 47 3.228 5.144 3.889 1004 HB2 ALA 47 HB2 ALA 47 3.644 5.909 2.355 1005 HB3 ALA 47 HB3 ALA 47 3.087 6.896 3.707 1006 H ARG 48 H ARG 48 5.318 4.371 5.702 1007 HA ARG 48 HA ARG 48 4.538 5.719 8.045 1008 HB2 ARG 48 HB2 ARG 48 4.831 3.684 9.077 1009 HB3 ARG 48 HB3 ARG 48 4.986 3.099 7.433 1010 HG2 ARG 48 HG2 ARG 48 7.492 3.296 7.696 1011 HG3 ARG 48 HG3 ARG 48 7.224 3.685 9.394 1012 HD2 ARG 48 HD2 ARG 48 6.032 1.464 9.622 1013 HD3 ARG 48 HD3 ARG 48 6.548 1.085 7.973 1014 HE ARG 48 HE ARG 48 8.142 1.025 10.356 1015 HH11 ARG 48 HH11 ARG 48 8.370 1.408 6.921 1016 HH12 ARG 48 HH12 ARG 48 10.047 1.003 6.894 1017 HH21 ARG 48 HH21 ARG 48 10.274 0.489 10.273 1018 HH22 ARG 48 HH22 ARG 48 11.094 0.456 8.755 1019 H GLU 49 H GLU 49 7.753 5.329 6.584 1020 HA GLU 49 HA GLU 49 9.119 6.821 8.722 1021 HB2 GLU 49 HB2 GLU 49 10.218 5.552 6.184 1022 HB3 GLU 49 HB3 GLU 49 11.185 6.260 7.474 1023 HG2 GLU 49 HG2 GLU 49 10.438 4.509 9.012 1024 HG3 GLU 49 HG3 GLU 49 9.411 3.820 7.753 1025 H ASN 50 H ASN 50 7.276 7.751 6.241 1026 HA ASN 50 HA ASN 50 6.935 9.592 4.985 1027 HB2 ASN 50 HB2 ASN 50 9.079 10.821 6.774 1028 HB3 ASN 50 HB3 ASN 50 8.052 11.741 5.677 1029 HD21 ASN 50 HD21 ASN 50 8.172 9.981 8.677 1030 HD22 ASN 50 HD22 ASN 50 6.619 10.464 9.257 1031 H LYS 51 H LYS 51 9.000 7.608 4.139 1032 HA LYS 51 HA LYS 51 11.099 9.045 2.768 1033 HB2 LYS 51 HB2 LYS 51 10.295 6.123 2.487 1034 HB3 LYS 51 HB3 LYS 51 11.812 6.848 1.952 1035 HG2 LYS 51 HG2 LYS 51 12.342 7.379 4.338 1036 HG3 LYS 51 HG3 LYS 51 10.866 6.537 4.814 1037 HD2 LYS 51 HD2 LYS 51 12.670 4.991 5.128 1038 HD3 LYS 51 HD3 LYS 51 11.802 4.455 3.689 1039 HE2 LYS 51 HE2 LYS 51 14.202 4.312 3.291 1040 HE3 LYS 51 HE3 LYS 51 13.528 5.588 2.275 1041 HZ1 LYS 51 HZ1 LYS 51 14.291 7.218 3.890 1042 HZ2 LYS 51 HZ2 LYS 51 15.584 6.285 3.334 1043 HZ3 LYS 51 HZ3 LYS 51 14.929 5.998 4.864 1044 H VAL 52 H VAL 52 7.841 8.332 1.961 1045 HA VAL 52 HA VAL 52 8.371 8.937 -0.888 1046 HB VAL 52 HB VAL 52 6.334 7.645 -1.551 1047 HG11 VAL 52 HG11 VAL 52 8.468 5.985 -0.148 1048 HG12 VAL 52 HG12 VAL 52 8.562 6.624 -1.790 1049 HG13 VAL 52 HG13 VAL 52 7.358 5.397 -1.392 1050 HG21 VAL 52 HG21 VAL 52 5.334 5.998 0.010 1051 HG22 VAL 52 HG22 VAL 52 5.123 7.644 0.607 1052 HG23 VAL 52 HG23 VAL 52 6.359 6.605 1.314 1053 H VAL 53 H VAL 53 7.063 10.347 -1.951 1054 HA VAL 53 HA VAL 53 5.234 12.052 -0.342 1055 HB VAL 53 HB VAL 53 6.817 12.854 -2.832 1056 HG11 VAL 53 HG11 VAL 53 5.317 14.580 -0.817 1057 HG12 VAL 53 HG12 VAL 53 4.815 14.241 -2.476 1058 HG13 VAL 53 HG13 VAL 53 6.276 15.184 -2.173 1059 HG21 VAL 53 HG21 VAL 53 8.422 12.317 -1.036 1060 HG22 VAL 53 HG22 VAL 53 7.564 13.384 0.078 1061 HG23 VAL 53 HG23 VAL 53 8.389 14.061 -1.327 1062 H ILE 54 H ILE 54 3.155 11.432 -0.836 1063 HA ILE 54 HA ILE 54 2.451 10.314 -3.437 1064 HB ILE 54 HB ILE 54 0.693 10.686 -0.958 1065 HG12 ILE 54 HG12 ILE 54 0.855 8.084 -0.896 1066 HG13 ILE 54 HG13 ILE 54 2.203 8.243 -2.011 1067 HG21 ILE 54 HG21 ILE 54 0.075 9.196 -3.545 1068 HG22 ILE 54 HG22 ILE 54 -0.698 10.680 -2.980 1069 HG23 ILE 54 HG23 ILE 54 -0.932 9.175 -2.093 1070 HD11 ILE 54 HD11 ILE 54 2.950 7.915 0.266 1071 HD12 ILE 54 HD12 ILE 54 2.074 9.353 0.793 1072 HD13 ILE 54 HD13 ILE 54 3.439 9.506 -0.317 1073 H GLU 55 H GLU 55 1.764 11.553 -5.084 1074 HA GLU 55 HA GLU 55 0.125 13.980 -4.617 1075 HB2 GLU 55 HB2 GLU 55 2.317 13.696 -6.716 1076 HB3 GLU 55 HB3 GLU 55 1.254 15.087 -6.513 1077 HG2 GLU 55 HG2 GLU 55 2.250 15.362 -4.184 1078 HG3 GLU 55 HG3 GLU 55 3.446 14.146 -4.638 1079 H ARG 56 H ARG 56 -1.864 13.578 -5.429 1080 HA ARG 56 HA ARG 56 -2.325 11.956 -7.805 1081 HB2 ARG 56 HB2 ARG 56 -4.190 13.505 -5.969 1082 HB3 ARG 56 HB3 ARG 56 -4.765 12.746 -7.453 1083 HG2 ARG 56 HG2 ARG 56 -4.038 10.536 -6.597 1084 HG3 ARG 56 HG3 ARG 56 -3.487 11.305 -5.103 1085 HD2 ARG 56 HD2 ARG 56 -5.776 12.029 -4.600 1086 HD3 ARG 56 HD3 ARG 56 -6.350 11.345 -6.124 1087 HE ARG 56 HE ARG 56 -5.757 9.129 -5.231 1088 HH11 ARG 56 HH11 ARG 56 -5.988 11.649 -2.871 1089 HH12 ARG 56 HH12 ARG 56 -6.587 10.581 -1.655 1090 HH21 ARG 56 HH21 ARG 56 -6.495 7.795 -3.652 1091 HH22 ARG 56 HH22 ARG 56 -6.874 8.431 -2.095 1092 H LYS 57 H LYS 57 -2.026 12.771 -9.737 1093 HA LYS 57 HA LYS 57 -2.755 15.570 -10.411 1094 HB2 LYS 57 HB2 LYS 57 -0.438 13.873 -11.452 1095 HB3 LYS 57 HB3 LYS 57 -0.892 15.442 -12.116 1096 HG2 LYS 57 HG2 LYS 57 -0.125 16.621 -10.237 1097 HG3 LYS 57 HG3 LYS 57 -0.246 15.217 -9.172 1098 HD2 LYS 57 HD2 LYS 57 1.684 14.189 -10.288 1099 HD3 LYS 57 HD3 LYS 57 1.810 15.571 -11.383 1100 HE2 LYS 57 HE2 LYS 57 2.395 17.033 -9.525 1101 HE3 LYS 57 HE3 LYS 57 2.096 15.738 -8.363 1102 HZ1 LYS 57 HZ1 LYS 57 3.893 14.476 -9.532 1103 HZ2 LYS 57 HZ2 LYS 57 4.400 15.847 -8.681 1104 HZ3 LYS 57 HZ3 LYS 57 4.269 15.901 -10.366 1105 H ASN 58 H ASN 58 -4.449 15.571 -11.793 1106 HA ASN 58 HA ASN 58 -6.232 14.855 -12.992 1107 HB2 ASN 58 HB2 ASN 58 -4.129 13.219 -14.485 1108 HB3 ASN 58 HB3 ASN 58 -5.772 13.511 -15.056 1109 HD21 ASN 58 HD21 ASN 58 -2.639 14.933 -14.525 1110 HD22 ASN 58 HD22 ASN 58 -2.917 16.365 -15.441 1111 H GLY 59 H GLY 59 -5.659 13.480 -10.550 1112 HA2 GLY 59 HA2 GLY 59 -6.773 11.825 -9.351 1113 HA3 GLY 59 HA3 GLY 59 -7.239 11.045 -10.851 1114 H LEU 60 H LEU 60 -4.172 11.334 -11.532 1115 HA LEU 60 HA LEU 60 -3.619 8.558 -10.935 1116 HB2 LEU 60 HB2 LEU 60 -1.861 10.563 -12.414 1117 HB3 LEU 60 HB3 LEU 60 -1.789 8.806 -12.515 1118 HG LEU 60 HG LEU 60 -4.033 10.579 -13.582 1119 HD11 LEU 60 HD11 LEU 60 -1.998 10.727 -14.928 1120 HD12 LEU 60 HD12 LEU 60 -3.285 9.912 -15.810 1121 HD13 LEU 60 HD13 LEU 60 -1.964 8.970 -15.111 1122 HD21 LEU 60 HD21 LEU 60 -4.956 8.447 -12.800 1123 HD22 LEU 60 HD22 LEU 60 -3.786 7.556 -13.774 1124 HD23 LEU 60 HD23 LEU 60 -5.018 8.548 -14.559 1125 H ILE 61 H ILE 61 -2.400 7.844 -9.270 1126 HA ILE 61 HA ILE 61 -1.134 9.677 -7.408 1127 HB ILE 61 HB ILE 61 -1.415 6.630 -7.332 1128 HG12 ILE 61 HG12 ILE 61 -2.944 7.197 -5.304 1129 HG13 ILE 61 HG13 ILE 61 -2.919 8.855 -5.881 1130 HG21 ILE 61 HG21 ILE 61 0.633 7.213 -6.123 1131 HG22 ILE 61 HG22 ILE 61 -0.609 6.723 -4.971 1132 HG23 ILE 61 HG23 ILE 61 -0.230 8.432 -5.181 1133 HD11 ILE 61 HD11 ILE 61 -4.003 6.462 -7.362 1134 HD12 ILE 61 HD12 ILE 61 -3.975 8.121 -7.970 1135 HD13 ILE 61 HD13 ILE 61 -4.936 7.719 -6.547 1136 H GLU 62 H GLU 62 0.969 10.233 -7.443 1137 HA GLU 62 HA GLU 62 3.027 8.361 -8.486 1138 HB2 GLU 62 HB2 GLU 62 3.125 11.404 -8.283 1139 HB3 GLU 62 HB3 GLU 62 4.523 10.395 -8.643 1140 HG2 GLU 62 HG2 GLU 62 3.309 9.572 -10.686 1141 HG3 GLU 62 HG3 GLU 62 2.055 10.774 -10.360 1142 H ILE 63 H ILE 63 4.759 7.895 -7.129 1143 HA ILE 63 HA ILE 63 4.794 9.094 -4.417 1144 HB ILE 63 HB ILE 63 5.753 6.978 -3.506 1145 HG12 ILE 63 HG12 ILE 63 6.598 5.986 -5.700 1146 HG13 ILE 63 HG13 ILE 63 5.734 4.851 -4.680 1147 HG21 ILE 63 HG21 ILE 63 2.994 6.685 -4.750 1148 HG22 ILE 63 HG22 ILE 63 3.379 7.454 -3.209 1149 HG23 ILE 63 HG23 ILE 63 3.615 5.717 -3.408 1150 HD11 ILE 63 HD11 ILE 63 3.780 5.031 -6.119 1151 HD12 ILE 63 HD12 ILE 63 5.212 4.577 -7.043 1152 HD13 ILE 63 HD13 ILE 63 4.610 6.235 -7.109 1153 H TYR 64 H TYR 64 6.306 10.545 -4.526 1154 HA TYR 64 HA TYR 64 8.865 10.179 -5.868 1155 HB2 TYR 64 HB2 TYR 64 7.701 12.498 -4.284 1156 HB3 TYR 64 HB3 TYR 64 9.310 12.526 -5.000 1157 HD1 TYR 64 HD2 TYR 64 5.662 12.315 -5.830 1158 HD2 TYR 64 HD1 TYR 64 9.607 13.006 -7.336 1159 HE1 TYR 64 HE2 TYR 64 4.721 13.107 -7.955 1160 HE2 TYR 64 HE1 TYR 64 8.657 13.797 -9.457 1161 HH TYR 64 HH TYR 64 6.411 13.399 -10.726 1162 H ASN 65 H ASN 65 10.893 10.931 -4.595 1163 HA ASN 65 HA ASN 65 11.134 9.380 -2.126 1164 HB2 ASN 65 HB2 ASN 65 13.175 10.936 -3.762 1165 HB3 ASN 65 HB3 ASN 65 13.581 10.136 -2.249 1166 HD21 ASN 65 HD21 ASN 65 11.456 8.910 -4.820 1167 HD22 ASN 65 HD22 ASN 65 12.472 7.593 -5.229 1168 H GLU 66 H GLU 66 11.959 10.193 -0.175 1169 HA GLU 66 HA GLU 66 11.026 12.486 1.015 1170 HB2 GLU 66 HB2 GLU 66 13.001 12.139 2.663 1171 HB3 GLU 66 HB3 GLU 66 11.879 10.799 2.448 1172 HG2 GLU 66 HG2 GLU 66 13.434 9.655 0.976 1173 HG3 GLU 66 HG3 GLU 66 14.536 11.031 1.007 1174 H GLY 67 H GLY 67 11.230 14.399 -0.049 1175 HA2 GLY 67 HA2 GLY 67 13.376 16.110 0.200 1176 HA3 GLY 67 HA3 GLY 67 13.615 15.329 -1.358 1177 H HIS 68 H HIS 68 10.902 15.046 -2.070 1178 HA HIS 68 HA HIS 68 10.441 17.679 -3.195 1179 HB2 HIS 68 HB2 HIS 68 10.308 15.592 -4.548 1180 HB3 HIS 68 HB3 HIS 68 8.936 15.056 -3.586 1181 HD1 HIS 68 HD1 HIS 68 9.474 18.476 -5.204 1182 HD2 HIS 68 HD2 HIS 68 6.903 15.221 -5.396 1183 HE1 HIS 68 HE1 HIS 68 7.682 19.132 -6.828 1184 HE2 HIS 68 HE2 HIS 68 6.086 17.192 -6.843 1185 H PHE 69 H PHE 69 9.336 16.172 -0.345 1186 HA PHE 69 HA PHE 69 6.617 17.116 -0.306 1187 HB2 PHE 69 HB2 PHE 69 6.558 16.373 2.040 1188 HB3 PHE 69 HB3 PHE 69 7.254 15.139 1.008 1189 HD1 PHE 69 HD1 PHE 69 9.761 14.698 1.106 1190 HD2 PHE 69 HD2 PHE 69 7.821 17.303 3.902 1191 HE1 PHE 69 HE1 PHE 69 11.689 14.517 2.630 1192 HE2 PHE 69 HE2 PHE 69 9.761 17.119 5.409 1193 HZ PHE 69 HZ PHE 69 11.692 15.727 4.775 1194 H ASP 70 H ASP 70 5.814 19.061 0.340 1195 HA ASP 70 HA ASP 70 7.482 20.879 1.987 1196 HB2 ASP 70 HB2 ASP 70 7.476 21.674 -0.369 1197 HB3 ASP 70 HB3 ASP 70 5.714 21.691 -0.374 1198 H PHE 71 H PHE 71 6.354 22.159 3.481 1199 HA PHE 71 HA PHE 71 3.478 22.077 3.778 1200 HB2 PHE 71 HB2 PHE 71 3.961 19.907 4.780 1201 HB3 PHE 71 HB3 PHE 71 5.278 20.572 5.736 1202 HD1 PHE 71 HD2 PHE 71 1.576 21.173 5.258 1203 HD2 PHE 71 HD1 PHE 71 4.829 20.854 8.028 1204 HE1 PHE 71 HE2 PHE 71 0.026 21.525 7.136 1205 HE2 PHE 71 HE1 PHE 71 3.265 21.203 9.895 1206 HZ PHE 71 HZ PHE 71 0.867 21.539 9.452 1207 H SER 72 H SER 72 6.218 22.486 6.025 1208 HA SER 72 HA SER 72 6.266 25.265 6.335 1209 HB2 SER 72 HB2 SER 72 3.895 25.010 7.142 1210 HB3 SER 72 HB3 SER 72 4.439 23.881 8.378 1211 HG SER 72 HG SER 72 4.514 25.666 9.517 1212 H PHE 73 H PHE 73 7.048 25.645 8.922 1213 HA PHE 73 HA PHE 73 9.354 24.063 9.415 1214 HB2 PHE 73 HB2 PHE 73 9.045 26.400 10.282 1215 HB3 PHE 73 HB3 PHE 73 7.819 25.810 11.398 1216 HD1 PHE 73 HD1 PHE 73 11.427 25.464 10.492 1217 HD2 PHE 73 HD2 PHE 73 8.473 24.942 13.549 1218 HE1 PHE 73 HE1 PHE 73 13.194 24.944 12.115 1219 HE2 PHE 73 HE2 PHE 73 10.256 24.427 15.164 1220 HZ PHE 73 HZ PHE 73 12.612 24.429 14.453 1221 H GLY 74 H GLY 74 9.717 22.410 10.963 1222 HA2 GLY 74 HA2 GLY 74 8.897 20.802 12.614 1223 HA3 GLY 74 HA3 GLY 74 7.303 20.904 11.876 1224 H LEU 75 H LEU 75 10.217 20.783 9.964 1225 HA LEU 75 HA LEU 75 9.399 18.458 8.490 1226 HB2 LEU 75 HB2 LEU 75 11.982 20.083 8.402 1227 HB3 LEU 75 HB3 LEU 75 11.491 18.894 7.202 1228 HG LEU 75 HG LEU 75 9.901 21.427 7.788 1229 HD11 LEU 75 HD11 LEU 75 10.860 22.391 5.743 1230 HD12 LEU 75 HD12 LEU 75 11.936 21.000 5.581 1231 HD13 LEU 75 HD13 LEU 75 12.095 22.086 6.967 1232 HD21 LEU 75 HD21 LEU 75 8.569 19.627 6.775 1233 HD22 LEU 75 HD22 LEU 75 9.729 19.482 5.452 1234 HD23 LEU 75 HD23 LEU 75 8.783 20.961 5.642 1235 H GLU 76 H GLU 76 10.031 16.393 8.817 1236 HA GLU 76 HA GLU 76 11.791 15.567 10.931 1237 HB2 GLU 76 HB2 GLU 76 9.828 14.214 10.136 1238 HB3 GLU 76 HB3 GLU 76 10.662 13.924 8.616 1239 HG2 GLU 76 HG2 GLU 76 10.866 11.970 10.039 1240 HG3 GLU 76 HG3 GLU 76 12.452 12.714 9.839 1241 H HIS 77 H HIS 77 13.948 15.867 10.795 1242 HA HIS 77 HA HIS 77 15.335 16.343 8.311 1243 HB2 HIS 77 HB2 HIS 77 15.807 17.574 10.456 1244 HB3 HIS 77 HB3 HIS 77 16.457 16.092 11.139 1245 HD1 HIS 77 HD1 HIS 77 17.248 18.832 8.704 1246 HD2 HIS 77 HD2 HIS 77 19.079 15.453 10.305 1247 HE1 HIS 77 HE1 HIS 77 19.673 19.027 8.099 1248 HE2 HIS 77 HE2 HIS 77 20.735 16.928 8.971 1249 H HIS 78 H HIS 78 15.086 14.355 7.207 1250 HA HIS 78 HA HIS 78 15.998 11.826 8.171 1251 HB2 HIS 78 HB2 HIS 78 15.722 11.085 5.760 1252 HB3 HIS 78 HB3 HIS 78 14.295 11.829 6.463 1253 HD1 HIS 78 HD1 HIS 78 16.649 12.113 3.664 1254 HD2 HIS 78 HD2 HIS 78 13.714 14.467 5.410 1255 HE1 HIS 78 HE1 HIS 78 16.186 13.936 2.005 1256 HE2 HIS 78 HE2 HIS 78 14.511 15.416 3.140 1257 H HIS 79 H HIS 79 18.032 11.204 8.473 1258 HA HIS 79 HA HIS 79 20.272 12.804 7.433 1259 HB2 HIS 79 HB2 HIS 79 20.116 12.522 9.862 1260 HB3 HIS 79 HB3 HIS 79 20.058 10.773 9.698 1261 HD1 HIS 79 HD1 HIS 79 22.461 13.673 9.522 1262 HD2 HIS 79 HD2 HIS 79 22.556 9.518 9.497 1263 HE1 HIS 79 HE1 HIS 79 24.867 13.056 9.817 1264 HE2 HIS 79 HE2 HIS 79 24.883 10.544 9.946 1265 H HIS 80 H HIS 80 21.591 12.077 5.869 1266 HA HIS 80 HA HIS 80 22.528 9.346 5.725 1267 HB2 HIS 80 HB2 HIS 80 21.918 8.997 3.314 1268 HB3 HIS 80 HB3 HIS 80 20.511 9.065 4.366 1269 HD1 HIS 80 HD1 HIS 80 18.854 10.973 4.014 1270 HD2 HIS 80 HD2 HIS 80 22.157 11.202 1.503 1271 HE1 HIS 80 HE1 HIS 80 18.286 12.732 2.313 1272 HE2 HIS 80 HE2 HIS 80 20.229 12.735 0.721 1273 H HIS 81 H HIS 81 24.285 9.113 4.061 1274 HA HIS 81 HA HIS 81 26.062 11.399 4.139 1275 HB2 HIS 81 HB2 HIS 81 26.407 8.613 2.947 1276 HB3 HIS 81 HB3 HIS 81 27.677 9.833 2.962 1277 HD1 HIS 81 HD1 HIS 81 25.834 7.462 5.190 1278 HD2 HIS 81 HD2 HIS 81 28.927 10.222 5.446 1279 HE1 HIS 81 HE1 HIS 81 26.896 7.073 7.426 1280 HE2 HIS 81 HE2 HIS 81 28.790 8.716 7.544 1281 H HIS 82 H HIS 82 26.188 12.944 2.656 1282 HA HIS 82 HA HIS 82 24.845 12.981 0.149 1283 HB2 HIS 82 HB2 HIS 82 25.988 15.148 -0.223 1284 HB3 HIS 82 HB3 HIS 82 25.320 15.060 1.400 1285 HD1 HIS 82 HD1 HIS 82 28.360 15.889 -0.369 1286 HD2 HIS 82 HD2 HIS 82 27.455 14.426 3.411 1287 HE1 HIS 82 HE1 HIS 82 30.391 16.337 1.028 1288 HE2 HIS 82 HE2 HIS 82 29.870 15.322 3.261 Start of MODEL 5 1 H1 MET 1 H1 MET 1 1.768 14.747 -2.812 2 H2 MET 1 H2 MET 1 1.900 16.424 -2.667 3 H3 MET 1 H3 MET 1 1.413 15.742 -4.132 4 HA MET 1 HA MET 1 -0.475 16.674 -3.009 5 HB2 MET 1 HB2 MET 1 -0.660 14.520 -4.349 6 HB3 MET 1 HB3 MET 1 -0.541 13.620 -2.843 7 HG2 MET 1 HG2 MET 1 -2.861 13.789 -3.605 8 HG3 MET 1 HG3 MET 1 -2.645 14.645 -2.072 9 HE1 MET 1 HE1 MET 1 -5.332 16.880 -3.889 10 HE2 MET 1 HE2 MET 1 -4.934 16.022 -2.402 11 HE3 MET 1 HE3 MET 1 -5.215 15.120 -3.893 12 H ASP 2 H ASP 2 -2.023 16.407 -1.125 13 HA ASP 2 HA ASP 2 -0.872 16.844 1.365 14 HB2 ASP 2 HB2 ASP 2 -3.682 15.756 0.866 15 HB3 ASP 2 HB3 ASP 2 -3.137 16.627 2.302 16 H LYS 3 H LYS 3 -0.029 15.570 2.905 17 HA LYS 3 HA LYS 3 0.163 12.708 2.505 18 HB2 LYS 3 HB2 LYS 3 2.096 14.156 3.202 19 HB3 LYS 3 HB3 LYS 3 1.304 14.411 4.754 20 HG2 LYS 3 HG2 LYS 3 1.500 12.037 5.294 21 HG3 LYS 3 HG3 LYS 3 2.160 11.698 3.690 22 HD2 LYS 3 HD2 LYS 3 4.123 13.149 4.229 23 HD3 LYS 3 HD3 LYS 3 3.469 13.396 5.852 24 HE2 LYS 3 HE2 LYS 3 3.685 10.993 6.321 25 HE3 LYS 3 HE3 LYS 3 4.268 10.706 4.678 26 HZ1 LYS 3 HZ1 LYS 3 5.616 12.405 6.700 27 HZ2 LYS 3 HZ2 LYS 3 6.189 12.067 5.148 28 HZ3 LYS 3 HZ3 LYS 3 6.064 10.830 6.292 29 H LYS 4 H LYS 4 -1.710 14.846 4.576 30 HA LYS 4 HA LYS 4 -2.470 13.011 6.607 31 HB2 LYS 4 HB2 LYS 4 -3.853 15.507 5.559 32 HB3 LYS 4 HB3 LYS 4 -4.455 14.591 6.940 33 HG2 LYS 4 HG2 LYS 4 -2.317 15.018 8.133 34 HG3 LYS 4 HG3 LYS 4 -1.758 15.979 6.756 35 HD2 LYS 4 HD2 LYS 4 -3.585 17.587 7.102 36 HD3 LYS 4 HD3 LYS 4 -4.241 16.603 8.416 37 HE2 LYS 4 HE2 LYS 4 -2.220 17.020 9.756 38 HE3 LYS 4 HE3 LYS 4 -1.513 17.952 8.432 39 HZ1 LYS 4 HZ1 LYS 4 -3.348 19.520 8.636 40 HZ2 LYS 4 HZ2 LYS 4 -2.471 19.397 10.074 41 HZ3 LYS 4 HZ3 LYS 4 -3.976 18.641 9.934 42 H ILE 5 H ILE 5 -3.430 13.140 3.298 43 HA ILE 5 HA ILE 5 -6.011 12.015 3.357 44 HB ILE 5 HB ILE 5 -3.823 11.720 1.249 45 HG12 ILE 5 HG12 ILE 5 -6.228 13.600 1.400 46 HG13 ILE 5 HG13 ILE 5 -4.548 14.060 1.646 47 HG21 ILE 5 HG21 ILE 5 -6.777 11.026 0.967 48 HG22 ILE 5 HG22 ILE 5 -5.435 9.882 0.951 49 HG23 ILE 5 HG23 ILE 5 -5.605 11.054 -0.354 50 HD11 ILE 5 HD11 ILE 5 -5.759 13.079 -0.941 51 HD12 ILE 5 HD12 ILE 5 -4.067 13.527 -0.701 52 HD13 ILE 5 HD13 ILE 5 -5.334 14.743 -0.538 53 H VAL 6 H VAL 6 -2.799 10.420 3.520 54 HA VAL 6 HA VAL 6 -3.761 7.749 3.209 55 HB VAL 6 HB VAL 6 -1.582 6.954 3.895 56 HG11 VAL 6 HG11 VAL 6 -0.124 8.170 2.335 57 HG12 VAL 6 HG12 VAL 6 -1.258 9.521 2.305 58 HG13 VAL 6 HG13 VAL 6 -1.739 7.950 1.659 59 HG21 VAL 6 HG21 VAL 6 0.196 8.431 4.821 60 HG22 VAL 6 HG22 VAL 6 -1.184 8.304 5.912 61 HG23 VAL 6 HG23 VAL 6 -0.969 9.751 4.932 62 H GLY 7 H GLY 7 -3.351 9.832 6.034 63 HA2 GLY 7 HA2 GLY 7 -3.817 7.842 8.049 64 HA3 GLY 7 HA3 GLY 7 -3.863 9.584 8.261 65 H ALA 8 H ALA 8 -5.874 10.288 6.479 66 HA ALA 8 HA ALA 8 -8.234 9.843 7.998 67 HB1 ALA 8 HB1 ALA 8 -9.357 11.197 6.273 68 HB2 ALA 8 HB2 ALA 8 -7.947 11.040 5.218 69 HB3 ALA 8 HB3 ALA 8 -7.816 11.923 6.741 70 H ASN 9 H ASN 9 -7.238 8.681 4.778 71 HA ASN 9 HA ASN 9 -9.487 7.023 4.242 72 HB2 ASN 9 HB2 ASN 9 -6.664 6.997 3.090 73 HB3 ASN 9 HB3 ASN 9 -7.984 6.004 2.469 74 HD21 ASN 9 HD21 ASN 9 -7.851 7.008 0.436 75 HD22 ASN 9 HD22 ASN 9 -8.415 8.615 0.167 76 H ALA 10 H ALA 10 -6.566 6.506 6.131 77 HA ALA 10 HA ALA 10 -6.580 3.639 6.143 78 HB1 ALA 10 HB1 ALA 10 -5.303 5.566 8.114 79 HB2 ALA 10 HB2 ALA 10 -4.541 4.927 6.655 80 HB3 ALA 10 HB3 ALA 10 -4.958 3.838 7.982 81 H GLY 11 H GLY 11 -8.043 6.146 8.169 82 HA2 GLY 11 HA2 GLY 11 -9.046 4.514 10.272 83 HA3 GLY 11 HA3 GLY 11 -9.662 6.091 9.805 84 H LYS 12 H LYS 12 -10.436 5.472 7.139 85 HA LYS 12 HA LYS 12 -13.039 4.367 7.547 86 HB2 LYS 12 HB2 LYS 12 -12.655 6.135 5.887 87 HB3 LYS 12 HB3 LYS 12 -11.575 5.088 4.973 88 HG2 LYS 12 HG2 LYS 12 -13.445 3.602 4.405 89 HG3 LYS 12 HG3 LYS 12 -14.545 4.569 5.390 90 HD2 LYS 12 HD2 LYS 12 -13.075 5.590 2.921 91 HD3 LYS 12 HD3 LYS 12 -14.740 5.002 2.925 92 HE2 LYS 12 HE2 LYS 12 -13.695 7.418 4.449 93 HE3 LYS 12 HE3 LYS 12 -14.690 7.452 2.993 94 HZ1 LYS 12 HZ1 LYS 12 -15.963 7.820 5.040 95 HZ2 LYS 12 HZ2 LYS 12 -15.538 6.280 5.585 96 HZ3 LYS 12 HZ3 LYS 12 -16.485 6.452 4.199 97 H VAL 13 H VAL 13 -10.156 3.130 5.761 98 HA VAL 13 HA VAL 13 -11.386 0.704 4.927 99 HB VAL 13 HB VAL 13 -9.429 1.611 3.727 100 HG11 VAL 13 HG11 VAL 13 -8.091 2.459 5.608 101 HG12 VAL 13 HG12 VAL 13 -7.127 1.387 4.592 102 HG13 VAL 13 HG13 VAL 13 -7.758 0.809 6.137 103 HG21 VAL 13 HG21 VAL 13 -8.224 -0.510 3.345 104 HG22 VAL 13 HG22 VAL 13 -9.964 -0.780 3.476 105 HG23 VAL 13 HG23 VAL 13 -8.906 -1.173 4.833 106 H TRP 14 H TRP 14 -9.429 1.517 7.800 107 HA TRP 14 HA TRP 14 -9.212 -1.105 8.860 108 HB2 TRP 14 HB2 TRP 14 -7.865 0.887 9.659 109 HB3 TRP 14 HB3 TRP 14 -9.295 1.454 10.515 110 HD1 TRP 14 HD1 TRP 14 -6.751 -1.489 10.586 111 HE1 TRP 14 HE1 TRP 14 -6.792 -2.538 12.932 112 HE3 TRP 14 HE3 TRP 14 -10.583 1.188 12.575 113 HZ2 TRP 14 HZ2 TRP 14 -8.255 -2.251 15.334 114 HZ3 TRP 14 HZ3 TRP 14 -11.258 0.769 14.920 115 HH2 TRP 14 HH2 TRP 14 -10.111 -0.926 16.269 116 H HIS 15 H HIS 15 -11.694 1.419 9.307 117 HA HIS 15 HA HIS 15 -13.369 0.082 11.145 118 HB2 HIS 15 HB2 HIS 15 -13.600 2.500 10.501 119 HB3 HIS 15 HB3 HIS 15 -14.231 2.006 8.934 120 HD1 HIS 15 HD1 HIS 15 -16.617 0.769 8.989 121 HD2 HIS 15 HD2 HIS 15 -15.457 2.586 12.537 122 HE1 HIS 15 HE1 HIS 15 -18.692 0.901 10.381 123 HE2 HIS 15 HE2 HIS 15 -17.998 2.128 12.458 124 H ALA 16 H ALA 16 -13.206 -0.065 7.600 125 HA ALA 16 HA ALA 16 -15.453 -1.744 7.131 126 HB1 ALA 16 HB1 ALA 16 -12.975 -1.375 5.417 127 HB2 ALA 16 HB2 ALA 16 -14.428 -0.377 5.360 128 HB3 ALA 16 HB3 ALA 16 -14.509 -2.074 4.885 129 H LEU 17 H LEU 17 -12.104 -2.439 7.959 130 HA LEU 17 HA LEU 17 -12.111 -5.254 7.640 131 HB2 LEU 17 HB2 LEU 17 -10.551 -3.524 9.592 132 HB3 LEU 17 HB3 LEU 17 -10.215 -5.222 9.283 133 HG LEU 17 HG LEU 17 -10.015 -3.030 7.181 134 HD11 LEU 17 HD11 LEU 17 -7.589 -3.189 7.430 135 HD12 LEU 17 HD12 LEU 17 -7.778 -4.339 8.757 136 HD13 LEU 17 HD13 LEU 17 -8.350 -2.674 8.939 137 HD21 LEU 17 HD21 LEU 17 -8.834 -4.727 5.838 138 HD22 LEU 17 HD22 LEU 17 -10.479 -5.233 6.215 139 HD23 LEU 17 HD23 LEU 17 -9.120 -5.934 7.101 140 H ASN 18 H ASN 18 -12.907 -3.214 10.516 141 HA ASN 18 HA ASN 18 -13.487 -5.334 12.310 142 HB2 ASN 18 HB2 ASN 18 -14.721 -2.547 12.328 143 HB3 ASN 18 HB3 ASN 18 -14.683 -3.669 13.687 144 HD21 ASN 18 HD21 ASN 18 -12.534 -4.227 14.546 145 HD22 ASN 18 HD22 ASN 18 -11.265 -3.066 14.433 146 H GLU 19 H GLU 19 -15.459 -3.749 9.872 147 HA GLU 19 HA GLU 19 -17.955 -5.012 10.475 148 HB2 GLU 19 HB2 GLU 19 -16.939 -3.799 7.869 149 HB3 GLU 19 HB3 GLU 19 -18.614 -4.250 8.191 150 HG2 GLU 19 HG2 GLU 19 -18.757 -2.579 9.973 151 HG3 GLU 19 HG3 GLU 19 -17.058 -2.159 9.749 152 H ALA 20 H ALA 20 -15.385 -5.733 8.077 153 HA ALA 20 HA ALA 20 -15.658 -8.565 8.305 154 HB1 ALA 20 HB1 ALA 20 -17.663 -8.175 6.912 155 HB2 ALA 20 HB2 ALA 20 -16.444 -9.094 6.027 156 HB3 ALA 20 HB3 ALA 20 -16.669 -7.375 5.693 157 H ASP 21 H ASP 21 -13.471 -8.851 8.435 158 HA ASP 21 HA ASP 21 -11.704 -7.832 6.282 159 HB2 ASP 21 HB2 ASP 21 -9.847 -8.057 7.835 160 HB3 ASP 21 HB3 ASP 21 -11.128 -7.136 8.609 161 H GLY 22 H GLY 22 -9.596 -9.462 6.306 162 HA2 GLY 22 HA2 GLY 22 -8.801 -11.462 5.475 163 HA3 GLY 22 HA3 GLY 22 -10.292 -12.249 5.992 164 H ILE 23 H ILE 23 -10.031 -9.448 3.904 165 HA ILE 23 HA ILE 23 -11.204 -10.934 1.625 166 HB ILE 23 HB ILE 23 -12.899 -9.553 2.823 167 HG12 ILE 23 HG12 ILE 23 -12.252 -8.415 0.064 168 HG13 ILE 23 HG13 ILE 23 -13.131 -9.910 0.362 169 HG21 ILE 23 HG21 ILE 23 -11.444 -7.801 3.739 170 HG22 ILE 23 HG22 ILE 23 -12.793 -7.090 2.852 171 HG23 ILE 23 HG23 ILE 23 -11.187 -7.141 2.120 172 HD11 ILE 23 HD11 ILE 23 -14.918 -8.615 1.453 173 HD12 ILE 23 HD12 ILE 23 -14.647 -8.132 -0.221 174 HD13 ILE 23 HD13 ILE 23 -14.039 -7.126 1.093 175 H SER 24 H SER 24 -10.667 -10.113 -0.497 176 HA SER 24 HA SER 24 -8.000 -9.251 -0.890 177 HB2 SER 24 HB2 SER 24 -10.313 -9.132 -2.870 178 HB3 SER 24 HB3 SER 24 -8.598 -9.035 -3.282 179 HG SER 24 HG SER 24 -10.165 -11.199 -2.702 180 H ILE 25 H ILE 25 -7.140 -7.299 -1.574 181 HA ILE 25 HA ILE 25 -8.089 -4.941 -0.412 182 HB ILE 25 HB ILE 25 -6.003 -5.273 -2.602 183 HG12 ILE 25 HG12 ILE 25 -5.676 -5.125 0.434 184 HG13 ILE 25 HG13 ILE 25 -5.530 -6.585 -0.536 185 HG21 ILE 25 HG21 ILE 25 -6.449 -2.882 -0.776 186 HG22 ILE 25 HG22 ILE 25 -6.716 -2.929 -2.519 187 HG23 ILE 25 HG23 ILE 25 -5.083 -3.090 -1.877 188 HD11 ILE 25 HD11 ILE 25 -3.554 -5.645 -1.639 189 HD12 ILE 25 HD12 ILE 25 -3.363 -5.738 0.111 190 HD13 ILE 25 HD13 ILE 25 -3.700 -4.187 -0.655 191 HA PRO 26 HA PRO 26 -9.563 -3.447 -4.916 192 HB2 PRO 26 HB2 PRO 26 -10.559 -5.453 -6.574 193 HB3 PRO 26 HB3 PRO 26 -8.919 -4.799 -6.692 194 HG2 PRO 26 HG2 PRO 26 -9.872 -7.266 -5.232 195 HG3 PRO 26 HG3 PRO 26 -8.482 -7.088 -6.328 196 HD2 PRO 26 HD2 PRO 26 -8.091 -7.068 -3.693 197 HD3 PRO 26 HD3 PRO 26 -7.202 -5.919 -4.718 198 H GLU 27 H GLU 27 -11.091 -6.261 -3.367 199 HA GLU 27 HA GLU 27 -13.825 -5.586 -4.007 200 HB2 GLU 27 HB2 GLU 27 -12.714 -7.346 -1.770 201 HB3 GLU 27 HB3 GLU 27 -14.394 -7.306 -2.314 202 HG2 GLU 27 HG2 GLU 27 -13.666 -8.174 -4.527 203 HG3 GLU 27 HG3 GLU 27 -12.008 -8.264 -3.921 204 H LEU 28 H LEU 28 -11.863 -5.476 -1.123 205 HA LEU 28 HA LEU 28 -13.324 -3.998 0.701 206 HB2 LEU 28 HB2 LEU 28 -11.309 -5.276 1.171 207 HB3 LEU 28 HB3 LEU 28 -10.360 -4.256 0.108 208 HG LEU 28 HG LEU 28 -10.624 -2.375 1.714 209 HD11 LEU 28 HD11 LEU 28 -12.722 -2.995 2.803 210 HD12 LEU 28 HD12 LEU 28 -11.444 -2.803 4.000 211 HD13 LEU 28 HD13 LEU 28 -11.960 -4.421 3.519 212 HD21 LEU 28 HD21 LEU 28 -9.009 -3.263 3.351 213 HD22 LEU 28 HD22 LEU 28 -8.632 -3.801 1.711 214 HD23 LEU 28 HD23 LEU 28 -9.401 -4.914 2.850 215 H ALA 29 H ALA 29 -11.234 -2.869 -1.938 216 HA ALA 29 HA ALA 29 -11.164 -0.097 -1.387 217 HB1 ALA 29 HB1 ALA 29 -10.377 0.159 -3.706 218 HB2 ALA 29 HB2 ALA 29 -10.874 -1.498 -4.070 219 HB3 ALA 29 HB3 ALA 29 -9.577 -1.199 -2.913 220 H ARG 30 H ARG 30 -13.353 -2.019 -3.440 221 HA ARG 30 HA ARG 30 -14.859 0.159 -4.509 222 HB2 ARG 30 HB2 ARG 30 -15.585 -2.788 -4.249 223 HB3 ARG 30 HB3 ARG 30 -16.464 -1.619 -5.238 224 HG2 ARG 30 HG2 ARG 30 -14.475 -1.282 -6.644 225 HG3 ARG 30 HG3 ARG 30 -13.554 -2.398 -5.635 226 HD2 ARG 30 HD2 ARG 30 -14.277 -3.521 -7.678 227 HD3 ARG 30 HD3 ARG 30 -15.093 -4.232 -6.284 228 HE ARG 30 HE ARG 30 -17.103 -3.111 -6.919 229 HH11 ARG 30 HH11 ARG 30 -14.652 -2.916 -9.355 230 HH12 ARG 30 HH12 ARG 30 -15.776 -2.446 -10.578 231 HH21 ARG 30 HH21 ARG 30 -18.492 -2.481 -8.493 232 HH22 ARG 30 HH22 ARG 30 -17.912 -2.207 -10.100 233 H LYS 31 H LYS 31 -15.103 -1.661 -1.533 234 HA LYS 31 HA LYS 31 -17.738 -0.826 -0.736 235 HB2 LYS 31 HB2 LYS 31 -15.410 -1.819 0.965 236 HB3 LYS 31 HB3 LYS 31 -17.091 -1.709 1.490 237 HG2 LYS 31 HG2 LYS 31 -17.739 -3.432 -0.137 238 HG3 LYS 31 HG3 LYS 31 -16.085 -3.494 -0.755 239 HD2 LYS 31 HD2 LYS 31 -16.472 -5.376 0.758 240 HD3 LYS 31 HD3 LYS 31 -15.288 -4.275 1.469 241 HE2 LYS 31 HE2 LYS 31 -17.132 -3.278 2.851 242 HE3 LYS 31 HE3 LYS 31 -18.238 -4.488 2.194 243 HZ1 LYS 31 HZ1 LYS 31 -15.796 -5.062 3.781 244 HZ2 LYS 31 HZ2 LYS 31 -16.886 -6.204 3.187 245 HZ3 LYS 31 HZ3 LYS 31 -17.382 -5.100 4.363 246 H VAL 32 H VAL 32 -14.430 0.274 0.099 247 HA VAL 32 HA VAL 32 -15.394 2.579 1.622 248 HB VAL 32 HB VAL 32 -13.021 3.083 2.050 249 HG11 VAL 32 HG11 VAL 32 -12.432 1.048 3.337 250 HG12 VAL 32 HG12 VAL 32 -13.664 0.135 2.462 251 HG13 VAL 32 HG13 VAL 32 -14.138 1.464 3.524 252 HG21 VAL 32 HG21 VAL 32 -11.197 1.616 1.209 253 HG22 VAL 32 HG22 VAL 32 -12.033 2.430 -0.113 254 HG23 VAL 32 HG23 VAL 32 -12.368 0.733 0.223 255 H ASN 33 H ASN 33 -15.131 1.987 -1.603 256 HA ASN 33 HA ASN 33 -15.456 3.209 -3.460 257 HB2 ASN 33 HB2 ASN 33 -15.747 5.535 -1.521 258 HB3 ASN 33 HB3 ASN 33 -16.045 5.667 -3.253 259 HD21 ASN 33 HD21 ASN 33 -17.183 4.261 -0.259 260 HD22 ASN 33 HD22 ASN 33 -18.750 3.830 -0.832 261 H LEU 34 H LEU 34 -12.685 3.080 -2.001 262 HA LEU 34 HA LEU 34 -11.217 5.147 -3.501 263 HB2 LEU 34 HB2 LEU 34 -10.179 3.018 -1.581 264 HB3 LEU 34 HB3 LEU 34 -9.247 4.355 -2.247 265 HG LEU 34 HG LEU 34 -11.603 4.640 -0.331 266 HD11 LEU 34 HD11 LEU 34 -8.634 4.950 0.223 267 HD12 LEU 34 HD12 LEU 34 -9.679 3.644 0.790 268 HD13 LEU 34 HD13 LEU 34 -9.946 5.288 1.360 269 HD21 LEU 34 HD21 LEU 34 -9.728 6.775 -1.417 270 HD22 LEU 34 HD22 LEU 34 -10.962 7.023 -0.178 271 HD23 LEU 34 HD23 LEU 34 -11.438 6.581 -1.815 272 H SER 35 H SER 35 -9.231 4.405 -4.753 273 HA SER 35 HA SER 35 -9.716 2.101 -6.428 274 HB2 SER 35 HB2 SER 35 -7.677 2.708 -7.587 275 HB3 SER 35 HB3 SER 35 -8.515 4.211 -7.200 276 HG SER 35 HG SER 35 -6.141 3.984 -6.749 277 H VAL 36 H VAL 36 -8.096 0.361 -6.697 278 HA VAL 36 HA VAL 36 -7.595 -1.156 -4.407 279 HB VAL 36 HB VAL 36 -6.055 -1.348 -7.040 280 HG11 VAL 36 HG11 VAL 36 -6.610 -3.468 -4.924 281 HG12 VAL 36 HG12 VAL 36 -5.047 -2.724 -5.278 282 HG13 VAL 36 HG13 VAL 36 -5.820 -3.762 -6.476 283 HG21 VAL 36 HG21 VAL 36 -8.734 -2.599 -6.327 284 HG22 VAL 36 HG22 VAL 36 -7.811 -2.937 -7.792 285 HG23 VAL 36 HG23 VAL 36 -8.462 -1.322 -7.512 286 H GLU 37 H GLU 37 -5.329 0.812 -6.297 287 HA GLU 37 HA GLU 37 -2.984 0.422 -4.806 288 HB2 GLU 37 HB2 GLU 37 -3.820 2.791 -6.525 289 HB3 GLU 37 HB3 GLU 37 -2.179 2.507 -5.938 290 HG2 GLU 37 HG2 GLU 37 -2.081 0.395 -7.188 291 HG3 GLU 37 HG3 GLU 37 -3.729 0.647 -7.763 292 H SER 38 H SER 38 -5.527 2.899 -4.446 293 HA SER 38 HA SER 38 -4.255 4.462 -2.429 294 HB2 SER 38 HB2 SER 38 -7.187 4.211 -3.198 295 HB3 SER 38 HB3 SER 38 -6.578 5.394 -2.037 296 HG SER 38 HG SER 38 -6.085 5.206 -4.804 297 H THR 39 H THR 39 -6.495 1.723 -2.273 298 HA THR 39 HA THR 39 -7.004 1.812 0.532 299 HB THR 39 HB THR 39 -7.358 -0.419 -1.511 300 HG1 THR 39 HG1 THR 39 -9.645 0.566 -0.587 301 HG21 THR 39 HG21 THR 39 -7.251 -1.450 0.735 302 HG22 THR 39 HG22 THR 39 -8.902 -1.484 0.114 303 HG23 THR 39 HG23 THR 39 -8.446 -0.295 1.335 304 H ALA 40 H ALA 40 -4.792 -0.262 -1.425 305 HA ALA 40 HA ALA 40 -3.615 -1.731 0.688 306 HB1 ALA 40 HB1 ALA 40 -3.422 -2.393 -1.668 307 HB2 ALA 40 HB2 ALA 40 -1.822 -2.255 -0.940 308 HB3 ALA 40 HB3 ALA 40 -2.424 -0.978 -2.007 309 H LEU 41 H LEU 41 -2.727 1.359 -0.763 310 HA LEU 41 HA LEU 41 -0.312 1.889 0.617 311 HB2 LEU 41 HB2 LEU 41 -0.836 2.924 -1.490 312 HB3 LEU 41 HB3 LEU 41 -2.350 3.552 -0.906 313 HG LEU 41 HG LEU 41 -0.451 5.211 -1.399 314 HD11 LEU 41 HD11 LEU 41 -2.499 5.843 -0.248 315 HD12 LEU 41 HD12 LEU 41 -1.105 6.731 0.355 316 HD13 LEU 41 HD13 LEU 41 -1.779 5.405 1.305 317 HD21 LEU 41 HD21 LEU 41 0.622 4.262 1.275 318 HD22 LEU 41 HD22 LEU 41 1.199 5.648 0.344 319 HD23 LEU 41 HD23 LEU 41 1.387 4.018 -0.297 320 H ALA 42 H ALA 42 -3.718 2.653 1.348 321 HA ALA 42 HA ALA 42 -3.255 4.195 3.722 322 HB1 ALA 42 HB1 ALA 42 -5.678 3.955 4.108 323 HB2 ALA 42 HB2 ALA 42 -5.767 2.725 2.841 324 HB3 ALA 42 HB3 ALA 42 -5.339 4.388 2.431 325 H VAL 43 H VAL 43 -3.794 0.728 3.128 326 HA VAL 43 HA VAL 43 -3.943 -0.127 5.837 327 HB VAL 43 HB VAL 43 -3.065 -1.683 3.360 328 HG11 VAL 43 HG11 VAL 43 -2.159 -2.788 5.365 329 HG12 VAL 43 HG12 VAL 43 -3.476 -3.745 4.693 330 HG13 VAL 43 HG13 VAL 43 -3.752 -2.759 6.128 331 HG21 VAL 43 HG21 VAL 43 -5.350 -2.653 3.427 332 HG22 VAL 43 HG22 VAL 43 -5.409 -0.899 3.244 333 HG23 VAL 43 HG23 VAL 43 -5.748 -1.632 4.812 334 H GLY 44 H GLY 44 -1.201 0.560 3.701 335 HA2 GLY 44 HA2 GLY 44 0.929 -0.429 5.261 336 HA3 GLY 44 HA3 GLY 44 1.023 0.925 4.147 337 H TRP 45 H TRP 45 -0.942 2.554 5.574 338 HA TRP 45 HA TRP 45 0.658 3.766 7.634 339 HB2 TRP 45 HB2 TRP 45 -0.923 4.994 6.080 340 HB3 TRP 45 HB3 TRP 45 -2.271 4.292 6.966 341 HD1 TRP 45 HD1 TRP 45 -2.996 5.533 9.197 342 HE1 TRP 45 HE1 TRP 45 -2.186 7.663 10.385 343 HE3 TRP 45 HE3 TRP 45 1.379 6.307 6.631 344 HZ2 TRP 45 HZ2 TRP 45 -0.001 9.435 10.264 345 HZ3 TRP 45 HZ3 TRP 45 2.779 8.245 7.242 346 HH2 TRP 45 HH2 TRP 45 2.099 9.778 9.026 347 H LEU 46 H LEU 46 -2.100 1.548 7.593 348 HA LEU 46 HA LEU 46 -2.557 1.446 10.426 349 HB2 LEU 46 HB2 LEU 46 -3.216 -0.568 8.249 350 HB3 LEU 46 HB3 LEU 46 -3.831 -0.635 9.898 351 HG LEU 46 HG LEU 46 -4.403 1.602 7.911 352 HD11 LEU 46 HD11 LEU 46 -5.493 -0.475 7.226 353 HD12 LEU 46 HD12 LEU 46 -6.677 0.703 7.790 354 HD13 LEU 46 HD13 LEU 46 -6.219 -0.649 8.830 355 HD21 LEU 46 HD21 LEU 46 -5.529 1.136 10.700 356 HD22 LEU 46 HD22 LEU 46 -6.034 2.404 9.578 357 HD23 LEU 46 HD23 LEU 46 -4.399 2.410 10.230 358 H ALA 47 H ALA 47 -0.445 -0.351 8.220 359 HA ALA 47 HA ALA 47 0.695 -2.172 10.042 360 HB1 ALA 47 HB1 ALA 47 1.978 -0.869 7.616 361 HB2 ALA 47 HB2 ALA 47 1.000 -2.338 7.605 362 HB3 ALA 47 HB3 ALA 47 2.559 -2.323 8.434 363 H ARG 48 H ARG 48 1.354 1.289 9.506 364 HA ARG 48 HA ARG 48 3.597 1.578 11.233 365 HB2 ARG 48 HB2 ARG 48 2.733 3.362 9.649 366 HB3 ARG 48 HB3 ARG 48 1.384 3.627 10.750 367 HG2 ARG 48 HG2 ARG 48 3.130 4.173 12.547 368 HG3 ARG 48 HG3 ARG 48 4.330 4.161 11.254 369 HD2 ARG 48 HD2 ARG 48 3.751 6.434 11.545 370 HD3 ARG 48 HD3 ARG 48 2.876 5.931 10.095 371 HE ARG 48 HE ARG 48 0.952 5.549 11.789 372 HH11 ARG 48 HH11 ARG 48 3.218 8.166 11.984 373 HH12 ARG 48 HH12 ARG 48 2.102 9.190 12.812 374 HH21 ARG 48 HH21 ARG 48 -0.418 6.858 12.857 375 HH22 ARG 48 HH22 ARG 48 0.064 8.463 13.291 376 H GLU 49 H GLU 49 0.103 1.714 11.776 377 HA GLU 49 HA GLU 49 0.156 2.195 14.595 378 HB2 GLU 49 HB2 GLU 49 -2.099 0.997 12.928 379 HB3 GLU 49 HB3 GLU 49 -2.254 1.735 14.522 380 HG2 GLU 49 HG2 GLU 49 -1.553 3.144 11.922 381 HG3 GLU 49 HG3 GLU 49 -3.072 3.251 12.808 382 H ASN 50 H ASN 50 0.504 -0.629 12.645 383 HA ASN 50 HA ASN 50 0.874 -2.821 12.984 384 HB2 ASN 50 HB2 ASN 50 2.383 -1.752 14.843 385 HB3 ASN 50 HB3 ASN 50 1.172 -2.329 15.972 386 HD21 ASN 50 HD21 ASN 50 0.964 -4.594 16.285 387 HD22 ASN 50 HD22 ASN 50 2.216 -5.680 15.797 388 H LYS 51 H LYS 51 -1.848 -1.637 13.239 389 HA LYS 51 HA LYS 51 -3.271 -3.407 15.123 390 HB2 LYS 51 HB2 LYS 51 -4.182 -0.939 13.585 391 HB3 LYS 51 HB3 LYS 51 -5.219 -1.874 14.663 392 HG2 LYS 51 HG2 LYS 51 -3.787 -1.338 16.574 393 HG3 LYS 51 HG3 LYS 51 -2.651 -0.494 15.522 394 HD2 LYS 51 HD2 LYS 51 -4.039 1.110 16.732 395 HD3 LYS 51 HD3 LYS 51 -4.385 1.197 15.003 396 HE2 LYS 51 HE2 LYS 51 -6.447 -0.066 15.312 397 HE3 LYS 51 HE3 LYS 51 -6.074 -0.337 17.017 398 HZ1 LYS 51 HZ1 LYS 51 -7.647 1.427 16.808 399 HZ2 LYS 51 HZ2 LYS 51 -6.660 2.266 15.724 400 HZ3 LYS 51 HZ3 LYS 51 -6.178 2.079 17.335 401 H VAL 52 H VAL 52 -2.290 -3.782 12.055 402 HA VAL 52 HA VAL 52 -4.606 -5.488 11.320 403 HB VAL 52 HB VAL 52 -4.078 -5.140 8.905 404 HG11 VAL 52 HG11 VAL 52 -5.035 -2.875 8.682 405 HG12 VAL 52 HG12 VAL 52 -4.688 -2.554 10.383 406 HG13 VAL 52 HG13 VAL 52 -5.857 -3.800 9.941 407 HG21 VAL 52 HG21 VAL 52 -1.689 -4.511 9.068 408 HG22 VAL 52 HG22 VAL 52 -2.124 -2.990 9.852 409 HG23 VAL 52 HG23 VAL 52 -2.590 -3.281 8.173 410 H VAL 53 H VAL 53 -4.125 -7.490 10.369 411 HA VAL 53 HA VAL 53 -1.295 -8.398 10.438 412 HB VAL 53 HB VAL 53 -3.831 -10.092 10.662 413 HG11 VAL 53 HG11 VAL 53 -2.288 -12.004 11.094 414 HG12 VAL 53 HG12 VAL 53 -0.907 -10.963 10.750 415 HG13 VAL 53 HG13 VAL 53 -2.066 -11.338 9.472 416 HG21 VAL 53 HG21 VAL 53 -3.395 -8.820 12.725 417 HG22 VAL 53 HG22 VAL 53 -1.739 -9.431 12.774 418 HG23 VAL 53 HG23 VAL 53 -3.096 -10.541 12.986 419 H ILE 54 H ILE 54 -0.524 -8.186 8.403 420 HA ILE 54 HA ILE 54 -2.174 -8.860 6.058 421 HB ILE 54 HB ILE 54 0.625 -7.654 6.234 422 HG12 ILE 54 HG12 ILE 54 -2.039 -6.249 5.702 423 HG13 ILE 54 HG13 ILE 54 -1.193 -6.222 7.247 424 HG21 ILE 54 HG21 ILE 54 0.251 -8.796 4.078 425 HG22 ILE 54 HG22 ILE 54 0.315 -7.048 3.851 426 HG23 ILE 54 HG23 ILE 54 -1.242 -7.880 3.837 427 HD11 ILE 54 HD11 ILE 54 -0.842 -4.182 6.034 428 HD12 ILE 54 HD12 ILE 54 -0.208 -5.069 4.650 429 HD13 ILE 54 HD13 ILE 54 0.679 -5.062 6.177 430 H GLU 55 H GLU 55 -2.134 -10.973 5.463 431 HA GLU 55 HA GLU 55 0.420 -12.446 5.535 432 HB2 GLU 55 HB2 GLU 55 -1.463 -12.924 7.475 433 HB3 GLU 55 HB3 GLU 55 -2.015 -14.066 6.245 434 HG2 GLU 55 HG2 GLU 55 0.150 -15.161 6.234 435 HG3 GLU 55 HG3 GLU 55 0.815 -13.947 7.323 436 H ARG 56 H ARG 56 0.856 -13.433 3.684 437 HA ARG 56 HA ARG 56 -1.025 -13.271 1.463 438 HB2 ARG 56 HB2 ARG 56 1.933 -13.993 1.601 439 HB3 ARG 56 HB3 ARG 56 1.007 -13.890 0.101 440 HG2 ARG 56 HG2 ARG 56 0.619 -11.520 0.421 441 HG3 ARG 56 HG3 ARG 56 1.341 -11.563 2.035 442 HD2 ARG 56 HD2 ARG 56 2.802 -12.092 -0.577 443 HD3 ARG 56 HD3 ARG 56 2.873 -10.594 0.357 444 HE ARG 56 HE ARG 56 3.671 -12.397 2.174 445 HH11 ARG 56 HH11 ARG 56 4.715 -12.009 -1.099 446 HH12 ARG 56 HH12 ARG 56 6.329 -12.504 -0.741 447 HH21 ARG 56 HH21 ARG 56 5.708 -13.031 2.587 448 HH22 ARG 56 HH22 ARG 56 6.882 -13.077 1.316 449 H LYS 57 H LYS 57 -2.418 -14.889 1.318 450 HA LYS 57 HA LYS 57 -1.571 -17.719 1.620 451 HB2 LYS 57 HB2 LYS 57 -4.234 -16.301 1.904 452 HB3 LYS 57 HB3 LYS 57 -4.227 -17.997 1.435 453 HG2 LYS 57 HG2 LYS 57 -4.578 -17.848 3.801 454 HG3 LYS 57 HG3 LYS 57 -2.973 -18.532 3.521 455 HD2 LYS 57 HD2 LYS 57 -1.912 -16.409 4.076 456 HD3 LYS 57 HD3 LYS 57 -3.481 -15.597 4.165 457 HE2 LYS 57 HE2 LYS 57 -2.503 -17.794 6.020 458 HE3 LYS 57 HE3 LYS 57 -2.624 -16.079 6.408 459 HZ1 LYS 57 HZ1 LYS 57 -4.879 -17.889 5.765 460 HZ2 LYS 57 HZ2 LYS 57 -5.018 -16.230 6.026 461 HZ3 LYS 57 HZ3 LYS 57 -4.506 -17.238 7.279 462 H ASN 58 H ASN 58 -1.763 -19.101 -0.101 463 HA ASN 58 HA ASN 58 -1.566 -19.754 -2.273 464 HB2 ASN 58 HB2 ASN 58 -3.653 -19.817 -3.540 465 HB3 ASN 58 HB3 ASN 58 -3.978 -20.114 -1.848 466 HD21 ASN 58 HD21 ASN 58 -5.204 -18.616 -0.677 467 HD22 ASN 58 HD22 ASN 58 -6.088 -17.344 -1.436 468 H GLY 59 H GLY 59 -0.393 -17.140 -1.820 469 HA2 GLY 59 HA2 GLY 59 0.993 -15.964 -3.315 470 HA3 GLY 59 HA3 GLY 59 -0.137 -16.254 -4.618 471 H LEU 60 H LEU 60 -2.445 -15.215 -2.804 472 HA LEU 60 HA LEU 60 -2.031 -12.421 -3.625 473 HB2 LEU 60 HB2 LEU 60 -4.270 -12.196 -3.972 474 HB3 LEU 60 HB3 LEU 60 -4.179 -13.934 -4.139 475 HG LEU 60 HG LEU 60 -5.102 -12.508 -1.596 476 HD11 LEU 60 HD11 LEU 60 -7.385 -13.083 -2.232 477 HD12 LEU 60 HD12 LEU 60 -6.812 -13.761 -3.758 478 HD13 LEU 60 HD13 LEU 60 -6.642 -12.031 -3.436 479 HD21 LEU 60 HD21 LEU 60 -5.331 -15.432 -2.377 480 HD22 LEU 60 HD22 LEU 60 -6.029 -14.685 -0.935 481 HD23 LEU 60 HD23 LEU 60 -4.283 -14.754 -1.127 482 H ILE 61 H ILE 61 -2.643 -10.609 -2.302 483 HA ILE 61 HA ILE 61 -1.759 -10.885 0.483 484 HB ILE 61 HB ILE 61 -2.297 -8.368 -1.183 485 HG12 ILE 61 HG12 ILE 61 0.260 -8.054 -0.926 486 HG13 ILE 61 HG13 ILE 61 0.321 -9.716 -0.358 487 HG21 ILE 61 HG21 ILE 61 -1.253 -7.082 0.681 488 HG22 ILE 61 HG22 ILE 61 -1.191 -8.558 1.646 489 HG23 ILE 61 HG23 ILE 61 -2.749 -7.880 1.174 490 HD11 ILE 61 HD11 ILE 61 -0.586 -8.807 -3.088 491 HD12 ILE 61 HD12 ILE 61 -0.497 -10.481 -2.529 492 HD13 ILE 61 HD13 ILE 61 0.974 -9.521 -2.679 493 H GLU 62 H GLU 62 -3.279 -11.201 2.036 494 HA GLU 62 HA GLU 62 -5.980 -9.997 1.756 495 HB2 GLU 62 HB2 GLU 62 -5.102 -12.468 3.297 496 HB3 GLU 62 HB3 GLU 62 -6.703 -11.740 3.433 497 HG2 GLU 62 HG2 GLU 62 -7.062 -12.154 1.003 498 HG3 GLU 62 HG3 GLU 62 -5.490 -12.957 0.931 499 H ILE 63 H ILE 63 -6.510 -8.448 3.161 500 HA ILE 63 HA ILE 63 -4.733 -7.758 5.374 501 HB ILE 63 HB ILE 63 -7.187 -6.223 4.413 502 HG12 ILE 63 HG12 ILE 63 -5.704 -6.416 2.477 503 HG13 ILE 63 HG13 ILE 63 -5.578 -4.779 3.102 504 HG21 ILE 63 HG21 ILE 63 -4.778 -5.334 6.051 505 HG22 ILE 63 HG22 ILE 63 -6.419 -5.582 6.655 506 HG23 ILE 63 HG23 ILE 63 -6.090 -4.282 5.509 507 HD11 ILE 63 HD11 ILE 63 -3.579 -7.006 3.483 508 HD12 ILE 63 HD12 ILE 63 -3.447 -5.390 4.180 509 HD13 ILE 63 HD13 ILE 63 -3.420 -5.600 2.430 510 H TYR 64 H TYR 64 -5.130 -8.953 7.124 511 HA TYR 64 HA TYR 64 -7.848 -9.472 8.144 512 HB2 TYR 64 HB2 TYR 64 -5.176 -10.432 9.282 513 HB3 TYR 64 HB3 TYR 64 -6.778 -11.037 9.687 514 HD1 TYR 64 HD2 TYR 64 -8.110 -12.196 7.751 515 HD2 TYR 64 HD1 TYR 64 -3.875 -11.575 7.608 516 HE1 TYR 64 HE2 TYR 64 -7.892 -13.970 6.073 517 HE2 TYR 64 HE1 TYR 64 -3.690 -13.354 5.927 518 HH TYR 64 HH TYR 64 -6.358 -14.643 4.292 519 H ASN 65 H ASN 65 -8.137 -9.182 10.586 520 HA ASN 65 HA ASN 65 -6.671 -6.869 11.721 521 HB2 ASN 65 HB2 ASN 65 -9.214 -8.297 12.607 522 HB3 ASN 65 HB3 ASN 65 -8.381 -7.148 13.646 523 HD21 ASN 65 HD21 ASN 65 -10.741 -7.480 11.320 524 HD22 ASN 65 HD22 ASN 65 -10.917 -5.822 10.911 525 H GLU 66 H GLU 66 -6.081 -7.099 14.075 526 HA GLU 66 HA GLU 66 -4.240 -9.062 14.667 527 HB2 GLU 66 HB2 GLU 66 -4.428 -6.956 15.935 528 HB3 GLU 66 HB3 GLU 66 -5.938 -7.504 16.663 529 HG2 GLU 66 HG2 GLU 66 -4.697 -9.351 17.782 530 HG3 GLU 66 HG3 GLU 66 -3.195 -8.747 17.087 531 H GLY 67 H GLY 67 -4.475 -11.217 14.793 532 HA2 GLY 67 HA2 GLY 67 -5.071 -13.217 15.895 533 HA3 GLY 67 HA3 GLY 67 -6.508 -12.447 16.539 534 H HIS 68 H HIS 68 -6.856 -11.498 13.548 535 HA HIS 68 HA HIS 68 -8.718 -13.635 12.831 536 HB2 HIS 68 HB2 HIS 68 -8.213 -10.856 11.691 537 HB3 HIS 68 HB3 HIS 68 -9.404 -11.971 11.027 538 HD1 HIS 68 HD1 HIS 68 -11.576 -11.004 11.624 539 HD2 HIS 68 HD2 HIS 68 -8.929 -10.873 14.826 540 HE1 HIS 68 HE1 HIS 68 -12.903 -10.110 13.550 541 HE2 HIS 68 HE2 HIS 68 -11.336 -10.202 15.508 542 H PHE 69 H PHE 69 -5.632 -13.743 12.372 543 HA PHE 69 HA PHE 69 -5.001 -13.467 9.654 544 HB2 PHE 69 HB2 PHE 69 -2.926 -14.763 10.213 545 HB3 PHE 69 HB3 PHE 69 -3.258 -13.443 11.323 546 HD1 PHE 69 HD1 PHE 69 -3.192 -17.139 10.975 547 HD2 PHE 69 HD2 PHE 69 -3.767 -13.872 13.683 548 HE1 PHE 69 HE1 PHE 69 -3.028 -18.683 12.884 549 HE2 PHE 69 HE2 PHE 69 -3.601 -15.429 15.580 550 HZ PHE 69 HZ PHE 69 -3.234 -17.832 15.185 551 H ASP 70 H ASP 70 -6.966 -15.909 10.927 552 HA ASP 70 HA ASP 70 -6.070 -17.977 9.027 553 HB2 ASP 70 HB2 ASP 70 -6.298 -18.474 11.512 554 HB3 ASP 70 HB3 ASP 70 -8.040 -18.279 11.330 555 H PHE 71 H PHE 71 -8.880 -15.906 9.725 556 HA PHE 71 HA PHE 71 -10.735 -17.493 8.125 557 HB2 PHE 71 HB2 PHE 71 -11.505 -16.358 10.192 558 HB3 PHE 71 HB3 PHE 71 -11.140 -14.791 9.482 559 HD1 PHE 71 HD2 PHE 71 -13.363 -17.780 9.172 560 HD2 PHE 71 HD1 PHE 71 -12.746 -13.700 8.021 561 HE1 PHE 71 HE2 PHE 71 -15.622 -17.702 8.199 562 HE2 PHE 71 HE1 PHE 71 -15.008 -13.637 7.052 563 HZ PHE 71 HZ PHE 71 -16.444 -15.636 7.140 564 H SER 72 H SER 72 -11.401 -17.105 6.058 565 HA SER 72 HA SER 72 -10.224 -14.825 4.546 566 HB2 SER 72 HB2 SER 72 -9.085 -16.946 3.992 567 HB3 SER 72 HB3 SER 72 -10.627 -17.706 3.607 568 HG SER 72 HG SER 72 -9.330 -15.592 2.228 569 H PHE 73 H PHE 73 -11.337 -14.398 2.457 570 HA PHE 73 HA PHE 73 -14.198 -14.076 2.738 571 HB2 PHE 73 HB2 PHE 73 -14.046 -12.780 0.644 572 HB3 PHE 73 HB3 PHE 73 -12.778 -12.281 1.752 573 HD1 PHE 73 HD1 PHE 73 -10.372 -13.102 1.325 574 HD2 PHE 73 HD2 PHE 73 -13.492 -13.601 -1.555 575 HE1 PHE 73 HE1 PHE 73 -8.699 -13.489 -0.436 576 HE2 PHE 73 HE2 PHE 73 -11.808 -13.989 -3.302 577 HZ PHE 73 HZ PHE 73 -9.418 -13.933 -2.744 578 H GLY 74 H GLY 74 -15.642 -14.558 0.766 579 HA2 GLY 74 HA2 GLY 74 -15.372 -17.380 -0.022 580 HA3 GLY 74 HA3 GLY 74 -16.809 -16.383 -0.153 581 H LEU 75 H LEU 75 -17.301 -16.625 -2.329 582 HA LEU 75 HA LEU 75 -15.388 -15.415 -4.242 583 HB2 LEU 75 HB2 LEU 75 -17.077 -17.900 -4.749 584 HB3 LEU 75 HB3 LEU 75 -16.384 -16.943 -6.044 585 HG LEU 75 HG LEU 75 -14.083 -17.437 -4.841 586 HD11 LEU 75 HD11 LEU 75 -13.952 -19.605 -3.706 587 HD12 LEU 75 HD12 LEU 75 -15.710 -19.750 -3.749 588 HD13 LEU 75 HD13 LEU 75 -14.951 -18.467 -2.804 589 HD21 LEU 75 HD21 LEU 75 -13.771 -19.456 -6.204 590 HD22 LEU 75 HD22 LEU 75 -14.651 -18.214 -7.092 591 HD23 LEU 75 HD23 LEU 75 -15.521 -19.596 -6.418 592 H GLU 76 H GLU 76 -16.206 -13.586 -4.967 593 HA GLU 76 HA GLU 76 -18.921 -13.438 -6.080 594 HB2 GLU 76 HB2 GLU 76 -19.241 -12.484 -3.850 595 HB3 GLU 76 HB3 GLU 76 -17.810 -11.478 -4.017 596 HG2 GLU 76 HG2 GLU 76 -19.814 -10.118 -4.245 597 HG3 GLU 76 HG3 GLU 76 -18.937 -10.148 -5.769 598 H HIS 77 H HIS 77 -18.987 -12.233 -7.943 599 HA HIS 77 HA HIS 77 -16.679 -10.569 -8.740 600 HB2 HIS 77 HB2 HIS 77 -17.903 -12.794 -10.439 601 HB3 HIS 77 HB3 HIS 77 -16.764 -11.593 -11.045 602 HD1 HIS 77 HD1 HIS 77 -14.309 -11.741 -10.158 603 HD2 HIS 77 HD2 HIS 77 -16.730 -14.907 -8.997 604 HE1 HIS 77 HE1 HIS 77 -12.743 -13.504 -9.321 605 HE2 HIS 77 HE2 HIS 77 -14.211 -15.480 -8.839 606 H HIS 78 H HIS 78 -17.528 -8.615 -9.016 607 HA HIS 78 HA HIS 78 -20.284 -8.051 -9.433 608 HB2 HIS 78 HB2 HIS 78 -18.721 -6.563 -8.171 609 HB3 HIS 78 HB3 HIS 78 -17.874 -6.184 -9.664 610 HD1 HIS 78 HD1 HIS 78 -18.959 -4.441 -11.220 611 HD2 HIS 78 HD2 HIS 78 -21.265 -5.329 -7.875 612 HE1 HIS 78 HE1 HIS 78 -20.741 -2.676 -11.142 613 HE2 HIS 78 HE2 HIS 78 -22.082 -3.189 -9.082 614 H HIS 79 H HIS 79 -21.406 -7.442 -11.249 615 HA HIS 79 HA HIS 79 -20.665 -8.108 -13.859 616 HB2 HIS 79 HB2 HIS 79 -23.011 -7.818 -13.186 617 HB3 HIS 79 HB3 HIS 79 -22.745 -6.111 -12.859 618 HD1 HIS 79 HD1 HIS 79 -22.892 -8.530 -15.771 619 HD2 HIS 79 HD2 HIS 79 -23.172 -4.453 -15.030 620 HE1 HIS 79 HE1 HIS 79 -23.629 -7.506 -17.931 621 HE2 HIS 79 HE2 HIS 79 -24.025 -5.095 -17.387 622 H HIS 80 H HIS 80 -19.085 -7.229 -15.077 623 HA HIS 80 HA HIS 80 -17.905 -4.645 -14.566 624 HB2 HIS 80 HB2 HIS 80 -16.358 -5.225 -16.406 625 HB3 HIS 80 HB3 HIS 80 -16.531 -6.576 -15.293 626 HD1 HIS 80 HD1 HIS 80 -17.176 -5.550 -18.806 627 HD2 HIS 80 HD2 HIS 80 -17.821 -8.865 -16.392 628 HE1 HIS 80 HE1 HIS 80 -17.825 -7.393 -20.367 629 HE2 HIS 80 HE2 HIS 80 -18.327 -9.351 -18.884 630 H HIS 81 H HIS 81 -17.295 -3.517 -16.961 631 HA HIS 81 HA HIS 81 -17.913 -2.110 -18.590 632 HB2 HIS 81 HB2 HIS 81 -18.866 -4.018 -19.771 633 HB3 HIS 81 HB3 HIS 81 -20.346 -3.925 -18.827 634 HD1 HIS 81 HD1 HIS 81 -22.127 -2.279 -19.584 635 HD2 HIS 81 HD2 HIS 81 -18.632 -2.000 -21.810 636 HE1 HIS 81 HE1 HIS 81 -22.704 -0.853 -21.559 637 HE2 HIS 81 HE2 HIS 81 -20.640 -0.860 -22.974 638 H HIS 82 H HIS 82 -17.953 -0.527 -16.900 639 HA HIS 82 HA HIS 82 -20.505 0.924 -16.752 640 HB2 HIS 82 HB2 HIS 82 -18.801 0.336 -14.281 641 HB3 HIS 82 HB3 HIS 82 -20.137 1.476 -14.313 642 HD1 HIS 82 HD1 HIS 82 -22.535 0.282 -15.010 643 HD2 HIS 82 HD2 HIS 82 -19.546 -2.177 -13.507 644 HE1 HIS 82 HE1 HIS 82 -23.694 -1.817 -14.291 645 HE2 HIS 82 HE2 HIS 82 -21.898 -3.220 -13.250 646 H1 MET 1 H MET 1 4.203 -13.280 9.962 647 HA MET 1 HA MET 1 6.833 -14.081 9.021 648 HB2 MET 1 HB2 MET 1 4.941 -15.582 8.583 649 HB3 MET 1 HB3 MET 1 4.082 -14.313 7.722 650 HG2 MET 1 HG2 MET 1 5.756 -14.357 5.935 651 HG3 MET 1 HG3 MET 1 6.699 -15.555 6.820 652 HE1 MET 1 HE1 MET 1 2.546 -16.417 4.950 653 HE2 MET 1 HE2 MET 1 3.374 -14.866 4.797 654 HE3 MET 1 HE3 MET 1 2.744 -15.380 6.364 655 H ASP 2 H ASP 2 4.211 -12.094 7.578 656 HA ASP 2 HA ASP 2 6.017 -10.994 5.608 657 HB2 ASP 2 HB2 ASP 2 3.062 -10.494 6.089 658 HB3 ASP 2 HB3 ASP 2 3.973 -9.875 4.709 659 H LYS 3 H LYS 3 5.326 -9.998 8.762 660 HA LYS 3 HA LYS 3 5.091 -7.192 8.539 661 HB2 LYS 3 HB2 LYS 3 4.644 -8.405 10.640 662 HB3 LYS 3 HB3 LYS 3 6.336 -8.856 10.769 663 HG2 LYS 3 HG2 LYS 3 5.857 -7.061 12.327 664 HG3 LYS 3 HG3 LYS 3 6.946 -6.472 11.072 665 HD2 LYS 3 HD2 LYS 3 5.254 -4.777 11.575 666 HD3 LYS 3 HD3 LYS 3 5.036 -5.371 9.928 667 HE2 LYS 3 HE2 LYS 3 2.880 -5.075 11.127 668 HE3 LYS 3 HE3 LYS 3 3.144 -6.754 10.651 669 HZ1 LYS 3 HZ1 LYS 3 2.295 -6.470 12.938 670 HZ2 LYS 3 HZ2 LYS 3 3.736 -5.687 13.356 671 HZ3 LYS 3 HZ3 LYS 3 3.762 -7.301 12.865 672 H LYS 4 H LYS 4 8.024 -9.231 8.805 673 HA LYS 4 HA LYS 4 9.818 -6.951 8.439 674 HB2 LYS 4 HB2 LYS 4 11.644 -8.554 8.684 675 HB3 LYS 4 HB3 LYS 4 10.464 -8.774 9.969 676 HG2 LYS 4 HG2 LYS 4 9.546 -10.756 8.797 677 HG3 LYS 4 HG3 LYS 4 10.722 -10.533 7.500 678 HD2 LYS 4 HD2 LYS 4 11.492 -12.288 9.009 679 HD3 LYS 4 HD3 LYS 4 12.570 -10.897 9.134 680 HE2 LYS 4 HE2 LYS 4 11.437 -10.212 11.226 681 HE3 LYS 4 HE3 LYS 4 10.344 -11.591 11.091 682 HZ1 LYS 4 HZ1 LYS 4 12.130 -12.042 12.619 683 HZ2 LYS 4 HZ2 LYS 4 13.290 -11.731 11.429 684 HZ3 LYS 4 HZ3 LYS 4 12.255 -13.058 11.276 685 H ILE 5 H ILE 5 8.358 -9.441 6.438 686 HA ILE 5 HA ILE 5 10.156 -9.350 4.230 687 HB ILE 5 HB ILE 5 7.217 -10.169 4.300 688 HG12 ILE 5 HG12 ILE 5 9.770 -11.854 4.320 689 HG13 ILE 5 HG13 ILE 5 8.713 -11.582 5.701 690 HG21 ILE 5 HG21 ILE 5 9.225 -10.593 2.045 691 HG22 ILE 5 HG22 ILE 5 7.807 -9.545 1.991 692 HG23 ILE 5 HG23 ILE 5 7.604 -11.291 2.113 693 HD11 ILE 5 HD11 ILE 5 6.920 -12.804 4.569 694 HD12 ILE 5 HD12 ILE 5 8.379 -13.784 4.734 695 HD13 ILE 5 HD13 ILE 5 7.973 -13.064 3.176 696 H VAL 6 H VAL 6 7.075 -7.600 4.862 697 HA VAL 6 HA VAL 6 7.076 -6.066 2.463 698 HB VAL 6 HB VAL 6 5.363 -4.608 3.524 699 HG11 VAL 6 HG11 VAL 6 4.957 -7.573 4.101 700 HG12 VAL 6 HG12 VAL 6 4.634 -6.732 2.577 701 HG13 VAL 6 HG13 VAL 6 3.678 -6.355 4.010 702 HG21 VAL 6 HG21 VAL 6 5.967 -6.119 6.116 703 HG22 VAL 6 HG22 VAL 6 4.646 -4.971 5.880 704 HG23 VAL 6 HG23 VAL 6 6.318 -4.416 5.800 705 H GLY 7 H GLY 7 8.696 -5.668 5.543 706 HA2 GLY 7 HA2 GLY 7 9.633 -3.013 5.304 707 HA3 GLY 7 HA3 GLY 7 10.389 -4.293 6.233 708 H ALA 8 H ALA 8 11.243 -6.083 4.453 709 HA ALA 8 HA ALA 8 13.587 -4.927 3.318 710 HB1 ALA 8 HB1 ALA 8 14.081 -7.208 2.535 711 HB2 ALA 8 HB2 ALA 8 12.425 -7.703 2.900 712 HB3 ALA 8 HB3 ALA 8 13.512 -7.226 4.206 713 H ASN 9 H ASN 9 10.559 -6.088 1.898 714 HA ASN 9 HA ASN 9 11.189 -5.706 -0.852 715 HB2 ASN 9 HB2 ASN 9 8.528 -5.973 0.608 716 HB3 ASN 9 HB3 ASN 9 8.652 -5.855 -1.147 717 HD21 ASN 9 HD21 ASN 9 7.632 -7.927 -1.239 718 HD22 ASN 9 HD22 ASN 9 8.531 -9.371 -0.955 719 H ALA 10 H ALA 10 9.958 -3.551 1.657 720 HA ALA 10 HA ALA 10 9.135 -1.415 -0.089 721 HB1 ALA 10 HB1 ALA 10 9.827 -1.352 2.870 722 HB2 ALA 10 HB2 ALA 10 8.225 -1.628 2.183 723 HB3 ALA 10 HB3 ALA 10 9.014 -0.066 1.971 724 H GLY 11 H GLY 11 12.111 -2.182 1.736 725 HA2 GLY 11 HA2 GLY 11 13.656 0.115 1.088 726 HA3 GLY 11 HA3 GLY 11 14.301 -1.472 1.485 727 H LYS 12 H LYS 12 13.013 -2.861 -0.649 728 HA LYS 12 HA LYS 12 14.774 -2.549 -2.855 729 HB2 LYS 12 HB2 LYS 12 13.706 -4.689 -2.101 730 HB3 LYS 12 HB3 LYS 12 12.147 -4.085 -2.655 731 HG2 LYS 12 HG2 LYS 12 12.990 -4.042 -4.972 732 HG3 LYS 12 HG3 LYS 12 14.561 -4.633 -4.408 733 HD2 LYS 12 HD2 LYS 12 13.411 -6.704 -3.549 734 HD3 LYS 12 HD3 LYS 12 11.900 -6.113 -4.256 735 HE2 LYS 12 HE2 LYS 12 12.959 -6.151 -6.497 736 HE3 LYS 12 HE3 LYS 12 14.449 -6.768 -5.775 737 HZ1 LYS 12 HZ1 LYS 12 13.154 -8.530 -6.727 738 HZ2 LYS 12 HZ2 LYS 12 11.813 -8.130 -5.779 739 HZ3 LYS 12 HZ3 LYS 12 13.221 -8.720 -5.052 740 H VAL 13 H VAL 13 11.414 -1.520 -2.275 741 HA VAL 13 HA VAL 13 10.880 -0.415 -4.860 742 HB VAL 13 HB VAL 13 9.595 0.136 -2.148 743 HG11 VAL 13 HG11 VAL 13 8.623 1.043 -4.886 744 HG12 VAL 13 HG12 VAL 13 9.197 2.089 -3.584 745 HG13 VAL 13 HG13 VAL 13 7.706 1.171 -3.383 746 HG21 VAL 13 HG21 VAL 13 7.758 -1.300 -2.971 747 HG22 VAL 13 HG22 VAL 13 9.288 -2.177 -2.963 748 HG23 VAL 13 HG23 VAL 13 8.632 -1.566 -4.483 749 H TRP 14 H TRP 14 12.144 0.959 -1.851 750 HA TRP 14 HA TRP 14 12.308 3.672 -2.684 751 HB2 TRP 14 HB2 TRP 14 12.376 2.854 -0.278 752 HB3 TRP 14 HB3 TRP 14 14.040 2.343 -0.551 753 HD1 TRP 14 HD1 TRP 14 11.910 5.554 -0.230 754 HE1 TRP 14 HE1 TRP 14 13.484 7.530 0.268 755 HE3 TRP 14 HE3 TRP 14 16.351 3.173 -0.814 756 HZ2 TRP 14 HZ2 TRP 14 16.268 8.015 0.380 757 HZ3 TRP 14 HZ3 TRP 14 18.451 4.442 -0.500 758 HH2 TRP 14 HH2 TRP 14 18.406 6.821 0.085 759 H HIS 15 H HIS 15 14.571 0.953 -2.950 760 HA HIS 15 HA HIS 15 16.829 2.140 -4.084 761 HB2 HIS 15 HB2 HIS 15 16.954 -0.190 -3.577 762 HB3 HIS 15 HB3 HIS 15 15.506 -0.563 -4.498 763 HD1 HIS 15 HD1 HIS 15 19.182 0.110 -4.940 764 HD2 HIS 15 HD2 HIS 15 15.930 -1.110 -7.215 765 HE1 HIS 15 HE1 HIS 15 20.135 -0.631 -7.134 766 HE2 HIS 15 HE2 HIS 15 18.176 -1.535 -8.412 767 H ALA 16 H ALA 16 13.771 1.226 -5.653 768 HA ALA 16 HA ALA 16 14.499 1.747 -8.344 769 HB1 ALA 16 HB1 ALA 16 12.100 1.635 -8.819 770 HB2 ALA 16 HB2 ALA 16 11.743 1.757 -7.093 771 HB3 ALA 16 HB3 ALA 16 12.586 0.339 -7.720 772 H LEU 17 H LEU 17 13.210 3.836 -5.820 773 HA LEU 17 HA LEU 17 12.672 6.179 -7.303 774 HB2 LEU 17 HB2 LEU 17 13.638 5.827 -4.442 775 HB3 LEU 17 HB3 LEU 17 13.100 7.362 -5.103 776 HG LEU 17 HG LEU 17 11.384 4.879 -4.735 777 HD11 LEU 17 HD11 LEU 17 11.333 7.546 -3.284 778 HD12 LEU 17 HD12 LEU 17 11.904 6.007 -2.628 779 HD13 LEU 17 HD13 LEU 17 10.204 6.207 -3.048 780 HD21 LEU 17 HD21 LEU 17 10.694 6.087 -6.751 781 HD22 LEU 17 HD22 LEU 17 10.612 7.602 -5.850 782 HD23 LEU 17 HD23 LEU 17 9.496 6.288 -5.474 783 H ASN 18 H ASN 18 15.673 5.021 -5.781 784 HA ASN 18 HA ASN 18 17.321 7.252 -6.350 785 HB2 ASN 18 HB2 ASN 18 18.258 4.374 -6.054 786 HB3 ASN 18 HB3 ASN 18 19.188 5.831 -5.728 787 HD21 ASN 18 HD21 ASN 18 16.895 7.133 -4.293 788 HD22 ASN 18 HD22 ASN 18 16.803 6.308 -2.784 789 H GLU 19 H GLU 19 16.252 4.610 -8.358 790 HA GLU 19 HA GLU 19 18.145 4.975 -10.509 791 HB2 GLU 19 HB2 GLU 19 15.413 3.609 -10.489 792 HB3 GLU 19 HB3 GLU 19 16.603 3.499 -11.787 793 HG2 GLU 19 HG2 GLU 19 18.177 2.366 -10.259 794 HG3 GLU 19 HG3 GLU 19 17.001 2.491 -8.947 795 H ALA 20 H ALA 20 14.704 5.878 -9.978 796 HA ALA 20 HA ALA 20 14.915 8.435 -11.222 797 HB1 ALA 20 HB1 ALA 20 14.949 7.100 -13.306 798 HB2 ALA 20 HB2 ALA 20 13.481 8.074 -13.206 799 HB3 ALA 20 HB3 ALA 20 13.420 6.342 -12.859 800 H ASP 21 H ASP 21 13.461 9.657 -10.102 801 HA ASP 21 HA ASP 21 11.259 8.573 -8.622 802 HB2 ASP 21 HB2 ASP 21 10.821 10.900 -7.952 803 HB3 ASP 21 HB3 ASP 21 12.535 10.529 -7.826 804 H GLY 22 H GLY 22 9.056 9.871 -8.750 805 HA2 GLY 22 HA2 GLY 22 7.088 10.287 -9.874 806 HA3 GLY 22 HA3 GLY 22 8.028 10.577 -11.333 807 H ILE 23 H ILE 23 8.428 7.566 -9.658 808 HA ILE 23 HA ILE 23 7.501 6.071 -11.975 809 HB ILE 23 HB ILE 23 9.671 5.495 -10.974 810 HG12 ILE 23 HG12 ILE 23 9.358 3.000 -10.689 811 HG13 ILE 23 HG13 ILE 23 7.619 3.256 -10.637 812 HG21 ILE 23 HG21 ILE 23 9.247 6.114 -8.631 813 HG22 ILE 23 HG22 ILE 23 9.929 4.489 -8.743 814 HG23 ILE 23 HG23 ILE 23 8.203 4.703 -8.436 815 HD11 ILE 23 HD11 ILE 23 9.416 3.878 -12.976 816 HD12 ILE 23 HD12 ILE 23 7.661 4.074 -12.928 817 HD13 ILE 23 HD13 ILE 23 8.373 2.467 -12.804 818 H SER 24 H SER 24 5.529 5.100 -12.116 819 HA SER 24 HA SER 24 3.645 5.286 -9.884 820 HB2 SER 24 HB2 SER 24 2.985 5.941 -12.215 821 HB3 SER 24 HB3 SER 24 3.171 4.264 -12.718 822 HG SER 24 HG SER 24 1.266 5.412 -10.979 823 H ILE 25 H ILE 25 2.484 3.518 -9.032 824 HA ILE 25 HA ILE 25 4.009 1.416 -8.121 825 HB ILE 25 HB ILE 25 0.987 1.674 -8.212 826 HG12 ILE 25 HG12 ILE 25 2.963 2.225 -5.952 827 HG13 ILE 25 HG13 ILE 25 2.214 3.452 -6.966 828 HG21 ILE 25 HG21 ILE 25 2.567 -0.336 -6.567 829 HG22 ILE 25 HG22 ILE 25 1.474 -0.707 -7.903 830 HG23 ILE 25 HG23 ILE 25 0.837 -0.016 -6.413 831 HD11 ILE 25 HD11 ILE 25 0.015 2.835 -6.077 832 HD12 ILE 25 HD12 ILE 25 1.135 3.329 -4.809 833 HD13 ILE 25 HD13 ILE 25 0.777 1.621 -5.048 834 HA PRO 26 HA PRO 26 1.820 -1.730 -11.352 835 HB2 PRO 26 HB2 PRO 26 1.674 0.169 -13.696 836 HB3 PRO 26 HB3 PRO 26 0.602 -1.177 -13.274 837 HG2 PRO 26 HG2 PRO 26 -0.138 1.346 -12.830 838 HG3 PRO 26 HG3 PRO 26 -0.546 0.076 -11.661 839 HD2 PRO 26 HD2 PRO 26 1.580 2.194 -11.522 840 HD3 PRO 26 HD3 PRO 26 0.555 1.540 -10.225 841 H GLU 27 H GLU 27 3.882 0.862 -12.726 842 HA GLU 27 HA GLU 27 5.487 -0.895 -14.384 843 HB2 GLU 27 HB2 GLU 27 5.045 1.536 -14.871 844 HB3 GLU 27 HB3 GLU 27 6.027 1.970 -13.475 845 HG2 GLU 27 HG2 GLU 27 7.263 2.247 -15.586 846 HG3 GLU 27 HG3 GLU 27 8.020 1.046 -14.540 847 H LEU 28 H LEU 28 5.766 0.711 -11.359 848 HA LEU 28 HA LEU 28 8.379 0.125 -10.502 849 HB2 LEU 28 HB2 LEU 28 6.941 1.852 -9.587 850 HB3 LEU 28 HB3 LEU 28 5.744 0.668 -9.107 851 HG LEU 28 HG LEU 28 7.255 -0.159 -7.351 852 HD11 LEU 28 HD11 LEU 28 9.295 1.074 -6.748 853 HD12 LEU 28 HD12 LEU 28 9.134 2.061 -8.203 854 HD13 LEU 28 HD13 LEU 28 9.429 0.324 -8.337 855 HD21 LEU 28 HD21 LEU 28 5.580 1.552 -6.875 856 HD22 LEU 28 HD22 LEU 28 6.729 2.829 -7.292 857 HD23 LEU 28 HD23 LEU 28 7.015 1.808 -5.877 858 H ALA 29 H ALA 29 5.366 -1.709 -10.310 859 HA ALA 29 HA ALA 29 6.098 -3.825 -8.610 860 HB1 ALA 29 HB1 ALA 29 4.115 -3.887 -10.910 861 HB2 ALA 29 HB2 ALA 29 3.769 -3.331 -9.271 862 HB3 ALA 29 HB3 ALA 29 4.177 -5.023 -9.557 863 H ARG 30 H ARG 30 6.565 -3.445 -12.136 864 HA ARG 30 HA ARG 30 7.657 -6.025 -12.689 865 HB2 ARG 30 HB2 ARG 30 8.043 -3.354 -14.102 866 HB3 ARG 30 HB3 ARG 30 8.838 -4.817 -14.656 867 HG2 ARG 30 HG2 ARG 30 6.934 -4.513 -16.035 868 HG3 ARG 30 HG3 ARG 30 6.564 -5.860 -14.958 869 HD2 ARG 30 HD2 ARG 30 5.181 -4.411 -13.566 870 HD3 ARG 30 HD3 ARG 30 5.629 -3.003 -14.533 871 HE ARG 30 HE ARG 30 4.520 -4.402 -16.428 872 HH11 ARG 30 HH11 ARG 30 3.370 -4.191 -13.167 873 HH12 ARG 30 HH12 ARG 30 1.723 -4.398 -13.634 874 HH21 ARG 30 HH21 ARG 30 2.419 -4.649 -16.984 875 HH22 ARG 30 HH22 ARG 30 1.192 -4.665 -15.769 876 H LYS 31 H LYS 31 9.119 -2.954 -11.703 877 HA LYS 31 HA LYS 31 11.854 -3.671 -11.950 878 HB2 LYS 31 HB2 LYS 31 10.538 -1.531 -10.217 879 HB3 LYS 31 HB3 LYS 31 12.268 -1.636 -10.550 880 HG2 LYS 31 HG2 LYS 31 11.795 -1.320 -12.976 881 HG3 LYS 31 HG3 LYS 31 10.078 -1.155 -12.600 882 HD2 LYS 31 HD2 LYS 31 11.127 1.050 -12.921 883 HD3 LYS 31 HD3 LYS 31 10.549 0.865 -11.263 884 HE2 LYS 31 HE2 LYS 31 12.792 1.942 -11.373 885 HE3 LYS 31 HE3 LYS 31 12.826 0.421 -10.483 886 HZ1 LYS 31 HZ1 LYS 31 13.669 0.779 -13.305 887 HZ2 LYS 31 HZ2 LYS 31 13.738 -0.664 -12.428 888 HZ3 LYS 31 HZ3 LYS 31 14.704 0.644 -11.978 889 H VAL 32 H VAL 32 9.600 -3.854 -9.202 890 HA VAL 32 HA VAL 32 11.685 -4.968 -7.439 891 HB VAL 32 HB VAL 32 10.124 -4.614 -5.591 892 HG11 VAL 32 HG11 VAL 32 9.980 -2.140 -5.679 893 HG12 VAL 32 HG12 VAL 32 10.299 -2.177 -7.412 894 HG13 VAL 32 HG13 VAL 32 11.536 -2.720 -6.274 895 HG21 VAL 32 HG21 VAL 32 7.896 -3.545 -5.932 896 HG22 VAL 32 HG22 VAL 32 7.982 -5.132 -6.696 897 HG23 VAL 32 HG23 VAL 32 8.108 -3.675 -7.682 898 H ASN 33 H ASN 33 9.432 -6.207 -9.582 899 HA ASN 33 HA ASN 33 8.702 -8.276 -10.105 900 HB2 ASN 33 HB2 ASN 33 11.121 -8.828 -9.626 901 HB3 ASN 33 HB3 ASN 33 10.668 -9.281 -7.996 902 HD21 ASN 33 HD21 ASN 33 9.636 -11.274 -7.672 903 HD22 ASN 33 HD22 ASN 33 9.511 -12.468 -8.910 904 H LEU 34 H LEU 34 7.344 -6.732 -7.987 905 HA LEU 34 HA LEU 34 5.906 -8.881 -6.514 906 HB2 LEU 34 HB2 LEU 34 5.982 -5.882 -5.980 907 HB3 LEU 34 HB3 LEU 34 5.055 -7.048 -5.047 908 HG LEU 34 HG LEU 34 8.098 -6.932 -5.204 909 HD11 LEU 34 HD11 LEU 34 6.240 -6.135 -2.934 910 HD12 LEU 34 HD12 LEU 34 7.182 -5.041 -3.953 911 HD13 LEU 34 HD13 LEU 34 8.006 -6.161 -2.873 912 HD21 LEU 34 HD21 LEU 34 6.315 -8.746 -3.534 913 HD22 LEU 34 HD22 LEU 34 8.072 -8.632 -3.401 914 HD23 LEU 34 HD23 LEU 34 7.339 -9.238 -4.885 915 H SER 35 H SER 35 3.528 -8.589 -6.331 916 HA SER 35 HA SER 35 2.170 -7.796 -8.740 917 HB2 SER 35 HB2 SER 35 1.308 -9.615 -7.304 918 HB3 SER 35 HB3 SER 35 1.045 -8.480 -5.983 919 HG SER 35 HG SER 35 -0.556 -9.078 -8.035 920 H VAL 36 H VAL 36 0.386 -6.142 -8.779 921 HA VAL 36 HA VAL 36 1.239 -3.555 -8.143 922 HB VAL 36 HB VAL 36 -1.629 -4.470 -8.640 923 HG11 VAL 36 HG11 VAL 36 -2.081 -2.126 -9.368 924 HG12 VAL 36 HG12 VAL 36 -0.465 -1.659 -8.839 925 HG13 VAL 36 HG13 VAL 36 -1.653 -2.222 -7.658 926 HG21 VAL 36 HG21 VAL 36 -1.229 -3.848 -11.000 927 HG22 VAL 36 HG22 VAL 36 -0.124 -5.120 -10.476 928 HG23 VAL 36 HG23 VAL 36 0.450 -3.456 -10.616 929 H GLU 37 H GLU 37 -1.214 -5.520 -6.448 930 HA GLU 37 HA GLU 37 -1.829 -3.793 -4.308 931 HB2 GLU 37 HB2 GLU 37 -1.864 -6.838 -4.424 932 HB3 GLU 37 HB3 GLU 37 -2.637 -5.876 -3.160 933 HG2 GLU 37 HG2 GLU 37 -4.159 -4.882 -4.754 934 HG3 GLU 37 HG3 GLU 37 -3.323 -5.649 -6.104 935 H SER 38 H SER 38 0.704 -6.288 -4.552 936 HA SER 38 HA SER 38 1.671 -6.133 -1.873 937 HB2 SER 38 HB2 SER 38 2.125 -8.084 -3.331 938 HB3 SER 38 HB3 SER 38 3.105 -7.076 -4.393 939 HG SER 38 HG SER 38 4.675 -6.999 -2.905 940 H THR 39 H THR 39 2.467 -4.389 -4.821 941 HA THR 39 HA THR 39 4.835 -3.065 -3.802 942 HB THR 39 HB THR 39 3.241 -2.506 -6.352 943 HG1 THR 39 HG1 THR 39 4.085 -4.351 -6.936 944 HG21 THR 39 HG21 THR 39 5.331 -1.476 -7.189 945 HG22 THR 39 HG22 THR 39 6.093 -1.730 -5.617 946 HG23 THR 39 HG23 THR 39 4.728 -0.619 -5.766 947 H ALA 40 H ALA 40 1.413 -2.263 -4.249 948 HA ALA 40 HA ALA 40 1.535 0.515 -3.571 949 HB1 ALA 40 HB1 ALA 40 -0.821 -1.406 -3.444 950 HB2 ALA 40 HB2 ALA 40 -0.347 -0.439 -4.841 951 HB3 ALA 40 HB3 ALA 40 -0.924 0.358 -3.378 952 H LEU 41 H LEU 41 1.061 -2.441 -1.736 953 HA LEU 41 HA LEU 41 0.714 -1.182 0.827 954 HB2 LEU 41 HB2 LEU 41 -0.217 -3.392 0.326 955 HB3 LEU 41 HB3 LEU 41 1.372 -4.043 0.019 956 HG LEU 41 HG LEU 41 0.137 -4.620 2.266 957 HD11 LEU 41 HD11 LEU 41 2.419 -5.317 1.784 958 HD12 LEU 41 HD12 LEU 41 2.230 -4.864 3.475 959 HD13 LEU 41 HD13 LEU 41 3.036 -3.764 2.351 960 HD21 LEU 41 HD21 LEU 41 0.549 -3.126 4.140 961 HD22 LEU 41 HD22 LEU 41 -0.404 -2.293 2.913 962 HD23 LEU 41 HD23 LEU 41 1.323 -1.949 3.080 963 H ALA 42 H ALA 42 3.504 -2.387 -1.030 964 HA ALA 42 HA ALA 42 5.474 -2.216 1.014 965 HB1 ALA 42 HB1 ALA 42 5.857 -1.981 -1.996 966 HB2 ALA 42 HB2 ALA 42 5.828 -3.483 -1.069 967 HB3 ALA 42 HB3 ALA 42 7.123 -2.314 -0.807 968 H VAL 43 H VAL 43 4.423 0.197 -1.469 969 HA VAL 43 HA VAL 43 6.132 2.304 -0.562 970 HB VAL 43 HB VAL 43 4.819 3.885 -1.882 971 HG11 VAL 43 HG11 VAL 43 4.992 2.854 -4.124 972 HG12 VAL 43 HG12 VAL 43 5.144 1.260 -3.378 973 HG13 VAL 43 HG13 VAL 43 6.394 2.479 -3.119 974 HG21 VAL 43 HG21 VAL 43 2.762 1.681 -2.313 975 HG22 VAL 43 HG22 VAL 43 2.744 3.271 -3.080 976 HG23 VAL 43 HG23 VAL 43 2.531 3.132 -1.335 977 H GLY 44 H GLY 44 2.955 1.174 0.448 978 HA2 GLY 44 HA2 GLY 44 2.235 3.242 2.246 979 HA3 GLY 44 HA3 GLY 44 1.707 1.567 2.324 980 H TRP 45 H TRP 45 4.313 0.370 2.653 981 HA TRP 45 HA TRP 45 4.829 0.780 5.448 982 HB2 TRP 45 HB2 TRP 45 5.130 -1.441 4.357 983 HB3 TRP 45 HB3 TRP 45 6.467 -0.796 3.407 984 HD1 TRP 45 HD1 TRP 45 8.827 -0.503 4.662 985 HE1 TRP 45 HE1 TRP 45 9.725 -1.333 6.909 986 HE3 TRP 45 HE3 TRP 45 4.419 -1.915 6.848 987 HZ2 TRP 45 HZ2 TRP 45 8.739 -2.435 9.297 988 HZ3 TRP 45 HZ3 TRP 45 4.484 -2.844 9.133 989 HH2 TRP 45 HH2 TRP 45 6.606 -3.101 10.333 990 H LEU 46 H LEU 46 6.427 1.828 2.438 991 HA LEU 46 HA LEU 46 8.572 3.238 3.665 992 HB2 LEU 46 HB2 LEU 46 7.271 3.503 0.950 993 HB3 LEU 46 HB3 LEU 46 8.575 4.570 1.450 994 HG LEU 46 HG LEU 46 8.768 1.545 1.171 995 HD11 LEU 46 HD11 LEU 46 8.680 2.672 -1.001 996 HD12 LEU 46 HD12 LEU 46 10.280 1.994 -0.705 997 HD13 LEU 46 HD13 LEU 46 10.017 3.728 -0.527 998 HD21 LEU 46 HD21 LEU 46 10.191 2.328 3.011 999 HD22 LEU 46 HD22 LEU 46 10.933 3.532 1.954 1000 HD23 LEU 46 HD23 LEU 46 11.173 1.810 1.641 1001 H ALA 47 H ALA 47 5.207 4.169 3.050 1002 HA ALA 47 HA ALA 47 5.349 6.846 3.947 1003 HB1 ALA 47 HB1 ALA 47 3.032 4.907 4.252 1004 HB2 ALA 47 HB2 ALA 47 3.351 5.912 2.839 1005 HB3 ALA 47 HB3 ALA 47 2.935 6.665 4.380 1006 H ARG 48 H ARG 48 5.139 3.770 5.827 1007 HA ARG 48 HA ARG 48 5.016 4.893 8.436 1008 HB2 ARG 48 HB2 ARG 48 4.738 2.430 7.899 1009 HB3 ARG 48 HB3 ARG 48 6.471 2.334 7.612 1010 HG2 ARG 48 HG2 ARG 48 6.622 3.295 10.089 1011 HG3 ARG 48 HG3 ARG 48 4.984 2.674 10.208 1012 HD2 ARG 48 HD2 ARG 48 6.249 0.890 11.021 1013 HD3 ARG 48 HD3 ARG 48 6.034 0.434 9.328 1014 HE ARG 48 HE ARG 48 8.278 1.014 8.894 1015 HH11 ARG 48 HH11 ARG 48 7.546 1.275 12.276 1016 HH12 ARG 48 HH12 ARG 48 9.202 1.489 12.721 1017 HH21 ARG 48 HH21 ARG 48 10.399 1.342 9.511 1018 HH22 ARG 48 HH22 ARG 48 10.785 1.514 11.190 1019 H GLU 49 H GLU 49 7.753 4.036 6.335 1020 HA GLU 49 HA GLU 49 9.882 4.851 8.037 1021 HB2 GLU 49 HB2 GLU 49 9.945 4.809 4.987 1022 HB3 GLU 49 HB3 GLU 49 11.315 4.675 6.083 1023 HG2 GLU 49 HG2 GLU 49 9.157 2.612 5.591 1024 HG3 GLU 49 HG3 GLU 49 10.832 2.537 5.057 1025 H ASN 50 H ASN 50 7.708 6.604 5.993 1026 HA ASN 50 HA ASN 50 7.388 8.729 5.309 1027 HB2 ASN 50 HB2 ASN 50 9.467 9.485 7.413 1028 HB3 ASN 50 HB3 ASN 50 8.389 10.615 6.600 1029 HD21 ASN 50 HD21 ASN 50 8.594 8.070 8.983 1030 HD22 ASN 50 HD22 ASN 50 7.035 8.325 9.674 1031 H LYS 51 H LYS 51 9.479 7.016 4.096 1032 HA LYS 51 HA LYS 51 11.549 8.872 3.139 1033 HB2 LYS 51 HB2 LYS 51 11.261 5.851 2.931 1034 HB3 LYS 51 HB3 LYS 51 12.591 6.755 2.207 1035 HG2 LYS 51 HG2 LYS 51 13.330 7.511 4.411 1036 HG3 LYS 51 HG3 LYS 51 11.950 6.720 5.177 1037 HD2 LYS 51 HD2 LYS 51 13.935 5.346 5.486 1038 HD3 LYS 51 HD3 LYS 51 12.823 4.507 4.404 1039 HE2 LYS 51 HE2 LYS 51 15.128 4.300 3.601 1040 HE3 LYS 51 HE3 LYS 51 14.178 5.255 2.464 1041 HZ1 LYS 51 HZ1 LYS 51 16.410 6.164 2.944 1042 HZ2 LYS 51 HZ2 LYS 51 15.940 6.426 4.544 1043 HZ3 LYS 51 HZ3 LYS 51 15.157 7.244 3.287 1044 H VAL 52 H VAL 52 8.507 8.210 2.035 1045 HA VAL 52 HA VAL 52 9.294 8.643 -0.802 1046 HB VAL 52 HB VAL 52 7.107 7.581 -1.504 1047 HG11 VAL 52 HG11 VAL 52 9.054 5.760 -0.053 1048 HG12 VAL 52 HG12 VAL 52 9.200 6.345 -1.710 1049 HG13 VAL 52 HG13 VAL 52 7.888 5.251 -1.278 1050 HG21 VAL 52 HG21 VAL 52 5.864 7.748 0.627 1051 HG22 VAL 52 HG22 VAL 52 6.978 6.612 1.389 1052 HG23 VAL 52 HG23 VAL 52 5.924 6.070 0.080 1053 H VAL 53 H VAL 53 8.078 10.015 -2.049 1054 HA VAL 53 HA VAL 53 6.142 11.826 -0.723 1055 HB VAL 53 HB VAL 53 7.725 12.209 -3.305 1056 HG11 VAL 53 HG11 VAL 53 5.582 13.416 -3.423 1057 HG12 VAL 53 HG12 VAL 53 6.914 14.561 -3.260 1058 HG13 VAL 53 HG13 VAL 53 5.903 14.183 -1.864 1059 HG21 VAL 53 HG21 VAL 53 9.043 13.881 -2.047 1060 HG22 VAL 53 HG22 VAL 53 9.189 12.275 -1.329 1061 HG23 VAL 53 HG23 VAL 53 8.147 13.486 -0.577 1062 H ILE 54 H ILE 54 4.024 11.633 -1.308 1063 HA ILE 54 HA ILE 54 3.289 9.897 -3.592 1064 HB ILE 54 HB ILE 54 1.554 10.734 -1.217 1065 HG12 ILE 54 HG12 ILE 54 3.412 9.303 -0.421 1066 HG13 ILE 54 HG13 ILE 54 1.882 8.447 -0.309 1067 HG21 ILE 54 HG21 ILE 54 0.220 10.175 -3.206 1068 HG22 ILE 54 HG22 ILE 54 0.014 8.934 -1.970 1069 HG23 ILE 54 HG23 ILE 54 1.055 8.625 -3.362 1070 HD11 ILE 54 HD11 ILE 54 2.453 7.190 -2.339 1071 HD12 ILE 54 HD12 ILE 54 3.651 6.985 -1.062 1072 HD13 ILE 54 HD13 ILE 54 3.995 8.046 -2.426 1073 H GLU 55 H GLU 55 2.754 11.060 -5.392 1074 HA GLU 55 HA GLU 55 1.020 13.460 -5.101 1075 HB2 GLU 55 HB2 GLU 55 3.074 12.794 -7.243 1076 HB3 GLU 55 HB3 GLU 55 1.836 14.025 -7.474 1077 HG2 GLU 55 HG2 GLU 55 2.725 15.284 -5.539 1078 HG3 GLU 55 HG3 GLU 55 3.974 14.054 -5.317 1079 H ARG 56 H ARG 56 -1.011 13.160 -5.751 1080 HA ARG 56 HA ARG 56 -1.755 10.872 -7.435 1081 HB2 ARG 56 HB2 ARG 56 -3.437 12.825 -5.801 1082 HB3 ARG 56 HB3 ARG 56 -4.101 11.496 -6.755 1083 HG2 ARG 56 HG2 ARG 56 -2.926 9.860 -5.373 1084 HG3 ARG 56 HG3 ARG 56 -2.140 11.147 -4.455 1085 HD2 ARG 56 HD2 ARG 56 -4.249 11.825 -3.490 1086 HD3 ARG 56 HD3 ARG 56 -5.151 10.737 -4.554 1087 HE ARG 56 HE ARG 56 -3.429 9.932 -2.291 1088 HH11 ARG 56 HH11 ARG 56 -5.925 9.135 -4.547 1089 HH12 ARG 56 HH12 ARG 56 -6.159 7.556 -3.891 1090 HH21 ARG 56 HH21 ARG 56 -3.736 7.876 -1.487 1091 HH22 ARG 56 HH22 ARG 56 -4.931 6.856 -2.198 1092 H LYS 57 H LYS 57 -1.296 11.388 -9.505 1093 HA LYS 57 HA LYS 57 -2.119 13.992 -10.645 1094 HB2 LYS 57 HB2 LYS 57 -0.034 11.949 -11.512 1095 HB3 LYS 57 HB3 LYS 57 -0.508 13.318 -12.514 1096 HG2 LYS 57 HG2 LYS 57 0.329 14.891 -10.884 1097 HG3 LYS 57 HG3 LYS 57 0.625 13.605 -9.715 1098 HD2 LYS 57 HD2 LYS 57 2.704 14.444 -10.815 1099 HD3 LYS 57 HD3 LYS 57 2.449 12.720 -11.046 1100 HE2 LYS 57 HE2 LYS 57 1.567 14.681 -13.178 1101 HE3 LYS 57 HE3 LYS 57 3.253 14.187 -13.067 1102 HZ1 LYS 57 HZ1 LYS 57 2.078 12.818 -14.634 1103 HZ2 LYS 57 HZ2 LYS 57 0.933 12.376 -13.479 1104 HZ3 LYS 57 HZ3 LYS 57 2.536 11.872 -13.310 1105 H ASN 58 H ASN 58 -3.971 13.953 -11.674 1106 HA ASN 58 HA ASN 58 -5.837 13.409 -12.828 1107 HB2 ASN 58 HB2 ASN 58 -4.072 11.414 -14.316 1108 HB3 ASN 58 HB3 ASN 58 -5.586 12.107 -14.897 1109 HD21 ASN 58 HD21 ASN 58 -2.849 12.180 -16.018 1110 HD22 ASN 58 HD22 ASN 58 -2.494 13.850 -16.246 1111 H GLY 59 H GLY 59 -5.278 11.948 -10.350 1112 HA2 GLY 59 HA2 GLY 59 -6.535 10.430 -9.108 1113 HA3 GLY 59 HA3 GLY 59 -7.211 9.775 -10.585 1114 H LEU 60 H LEU 60 -3.941 9.760 -11.132 1115 HA LEU 60 HA LEU 60 -3.647 6.955 -10.263 1116 HB2 LEU 60 HB2 LEU 60 -2.034 8.582 -12.281 1117 HB3 LEU 60 HB3 LEU 60 -1.658 6.929 -11.825 1118 HG LEU 60 HG LEU 60 -2.770 6.707 -13.887 1119 HD11 LEU 60 HD11 LEU 60 -4.852 5.534 -13.446 1120 HD12 LEU 60 HD12 LEU 60 -4.949 6.253 -11.837 1121 HD13 LEU 60 HD13 LEU 60 -3.639 5.136 -12.229 1122 HD21 LEU 60 HD21 LEU 60 -4.867 7.809 -14.525 1123 HD22 LEU 60 HD22 LEU 60 -3.611 8.984 -14.142 1124 HD23 LEU 60 HD23 LEU 60 -4.903 8.668 -12.980 1125 H ILE 61 H ILE 61 -1.769 6.188 -9.182 1126 HA ILE 61 HA ILE 61 -0.675 8.086 -7.241 1127 HB ILE 61 HB ILE 61 -0.155 5.080 -7.375 1128 HG12 ILE 61 HG12 ILE 61 -2.622 5.540 -7.220 1129 HG13 ILE 61 HG13 ILE 61 -1.988 4.722 -5.800 1130 HG21 ILE 61 HG21 ILE 61 0.122 7.069 -5.078 1131 HG22 ILE 61 HG22 ILE 61 1.442 6.299 -5.961 1132 HG23 ILE 61 HG23 ILE 61 0.374 5.325 -4.951 1133 HD11 ILE 61 HD11 ILE 61 -3.618 6.407 -5.214 1134 HD12 ILE 61 HD12 ILE 61 -2.649 7.659 -5.996 1135 HD13 ILE 61 HD13 ILE 61 -2.033 6.825 -4.565 1136 H GLU 62 H GLU 62 1.232 9.075 -7.585 1137 HA GLU 62 HA GLU 62 3.352 7.849 -9.280 1138 HB2 GLU 62 HB2 GLU 62 2.826 10.812 -8.721 1139 HB3 GLU 62 HB3 GLU 62 4.045 10.160 -9.813 1140 HG2 GLU 62 HG2 GLU 62 1.094 9.636 -10.254 1141 HG3 GLU 62 HG3 GLU 62 1.852 11.122 -10.805 1142 H ILE 63 H ILE 63 5.178 7.291 -8.143 1143 HA ILE 63 HA ILE 63 5.499 8.233 -5.355 1144 HB ILE 63 HB ILE 63 6.951 5.871 -6.643 1145 HG12 ILE 63 HG12 ILE 63 4.496 5.470 -6.813 1146 HG13 ILE 63 HG13 ILE 63 5.253 4.355 -5.684 1147 HG21 ILE 63 HG21 ILE 63 7.255 5.105 -4.296 1148 HG22 ILE 63 HG22 ILE 63 6.433 6.554 -3.715 1149 HG23 ILE 63 HG23 ILE 63 7.976 6.695 -4.560 1150 HD11 ILE 63 HD11 ILE 63 4.402 5.677 -3.813 1151 HD12 ILE 63 HD12 ILE 63 3.109 5.122 -4.874 1152 HD13 ILE 63 HD13 ILE 63 3.648 6.800 -4.949 1153 H TYR 64 H TYR 64 7.059 9.687 -4.910 1154 HA TYR 64 HA TYR 64 9.413 10.046 -6.699 1155 HB2 TYR 64 HB2 TYR 64 8.022 12.134 -4.958 1156 HB3 TYR 64 HB3 TYR 64 9.476 12.418 -5.908 1157 HD1 TYR 64 HD2 TYR 64 5.902 11.329 -6.302 1158 HD2 TYR 64 HD1 TYR 64 9.243 13.302 -8.097 1159 HE1 TYR 64 HE2 TYR 64 4.493 12.011 -8.182 1160 HE2 TYR 64 HE1 TYR 64 7.818 13.991 -9.980 1161 HH TYR 64 HH TYR 64 4.481 13.895 -9.832 1162 H ASN 65 H ASN 65 11.315 11.065 -5.560 1163 HA ASN 65 HA ASN 65 12.088 9.532 -3.245 1164 HB2 ASN 65 HB2 ASN 65 13.567 11.791 -4.670 1165 HB3 ASN 65 HB3 ASN 65 14.264 10.713 -3.462 1166 HD21 ASN 65 HD21 ASN 65 15.841 10.010 -4.910 1167 HD22 ASN 65 HD22 ASN 65 15.480 8.967 -6.238 1168 H GLU 66 H GLU 66 12.293 10.195 -1.161 1169 HA GLU 66 HA GLU 66 11.035 12.265 0.111 1170 HB2 GLU 66 HB2 GLU 66 12.656 11.856 1.993 1171 HB3 GLU 66 HB3 GLU 66 11.955 10.389 1.319 1172 HG2 GLU 66 HG2 GLU 66 13.989 9.901 0.081 1173 HG3 GLU 66 HG3 GLU 66 14.703 11.437 0.562 1174 H GLY 67 H GLY 67 14.094 12.519 -1.608 1175 HA2 GLY 67 HA2 GLY 67 15.241 14.778 -0.353 1176 HA3 GLY 67 HA3 GLY 67 15.611 14.192 -1.962 1177 H HIS 68 H HIS 68 12.612 14.623 -2.641 1178 HA HIS 68 HA HIS 68 12.375 17.542 -2.558 1179 HB2 HIS 68 HB2 HIS 68 11.966 17.723 -5.008 1180 HB3 HIS 68 HB3 HIS 68 13.601 17.187 -4.653 1181 HD1 HIS 68 HD1 HIS 68 14.085 14.592 -5.062 1182 HD2 HIS 68 HD2 HIS 68 10.545 16.041 -6.687 1183 HE1 HIS 68 HE1 HIS 68 13.357 12.867 -6.730 1184 HE2 HIS 68 HE2 HIS 68 11.366 13.897 -7.868 1185 H PHE 69 H PHE 69 10.338 18.117 -2.115 1186 HA PHE 69 HA PHE 69 8.039 16.484 -2.944 1187 HB2 PHE 69 HB2 PHE 69 7.063 16.509 -0.652 1188 HB3 PHE 69 HB3 PHE 69 8.563 15.603 -0.722 1189 HD1 PHE 69 HD1 PHE 69 10.666 16.571 0.290 1190 HD2 PHE 69 HD2 PHE 69 6.847 18.449 0.800 1191 HE1 PHE 69 HE1 PHE 69 11.542 17.850 2.203 1192 HE2 PHE 69 HE2 PHE 69 7.737 19.722 2.708 1193 HZ PHE 69 HZ PHE 69 10.080 19.424 3.411 1194 H ASP 70 H ASP 70 6.018 17.578 -2.825 1195 HA ASP 70 HA ASP 70 6.048 20.370 -3.383 1196 HB2 ASP 70 HB2 ASP 70 3.516 20.117 -3.363 1197 HB3 ASP 70 HB3 ASP 70 4.371 19.045 -4.465 1198 H PHE 71 H PHE 71 5.985 22.040 -2.028 1199 HA PHE 71 HA PHE 71 5.799 21.647 0.867 1200 HB2 PHE 71 HB2 PHE 71 6.547 24.082 -0.816 1201 HB3 PHE 71 HB3 PHE 71 6.562 24.058 0.942 1202 HD1 PHE 71 HD2 PHE 71 8.291 22.892 -2.103 1203 HD2 PHE 71 HD1 PHE 71 8.311 22.856 2.175 1204 HE1 PHE 71 HE2 PHE 71 10.608 22.065 -2.115 1205 HE2 PHE 71 HE1 PHE 71 10.629 22.037 2.151 1206 HZ PHE 71 HZ PHE 71 11.778 21.639 0.009 1207 H SER 72 H SER 72 4.776 23.685 2.038 1208 HA SER 72 HA SER 72 1.995 23.887 1.663 1209 HB2 SER 72 HB2 SER 72 3.028 24.490 3.806 1210 HB3 SER 72 HB3 SER 72 3.914 25.811 3.049 1211 HG SER 72 HG SER 72 1.107 25.750 2.870 1212 H PHE 73 H PHE 73 4.556 26.259 0.862 1213 HA PHE 73 HA PHE 73 2.854 27.608 -1.105 1214 HB2 PHE 73 HB2 PHE 73 4.250 28.998 0.382 1215 HB3 PHE 73 HB3 PHE 73 5.701 28.181 -0.181 1216 HD1 PHE 73 HD1 PHE 73 2.822 30.239 -1.458 1217 HD2 PHE 73 HD2 PHE 73 6.927 29.133 -1.976 1218 HE1 PHE 73 HE1 PHE 73 3.065 31.915 -3.241 1219 HE2 PHE 73 HE2 PHE 73 7.152 30.818 -3.750 1220 HZ PHE 73 HZ PHE 73 5.225 32.210 -4.379 1221 H GLY 74 H GLY 74 2.671 25.638 -2.401 1222 HA2 GLY 74 HA2 GLY 74 4.970 25.033 -4.163 1223 HA3 GLY 74 HA3 GLY 74 3.446 24.160 -4.089 1224 H LEU 75 H LEU 75 2.422 27.206 -4.043 1225 HA LEU 75 HA LEU 75 1.586 28.769 -5.367 1226 HB2 LEU 75 HB2 LEU 75 3.798 28.949 -6.424 1227 HB3 LEU 75 HB3 LEU 75 3.383 27.668 -7.551 1228 HG LEU 75 HG LEU 75 1.563 29.140 -8.469 1229 HD11 LEU 75 HD11 LEU 75 1.551 31.546 -7.973 1230 HD12 LEU 75 HD12 LEU 75 2.773 31.301 -6.722 1231 HD13 LEU 75 HD13 LEU 75 1.169 30.583 -6.547 1232 HD21 LEU 75 HD21 LEU 75 4.358 30.320 -8.650 1233 HD22 LEU 75 HD22 LEU 75 3.040 30.581 -9.798 1234 HD23 LEU 75 HD23 LEU 75 3.733 28.974 -9.610 1235 H GLU 76 H GLU 76 1.557 25.492 -6.686 1236 HA GLU 76 HA GLU 76 -0.357 25.633 -8.667 1237 HB2 GLU 76 HB2 GLU 76 1.031 23.657 -8.288 1238 HB3 GLU 76 HB3 GLU 76 0.246 23.348 -6.745 1239 HG2 GLU 76 HG2 GLU 76 -0.542 21.809 -8.509 1240 HG3 GLU 76 HG3 GLU 76 -1.852 22.805 -7.877 1241 H HIS 77 H HIS 77 -2.489 25.783 -8.775 1242 HA HIS 77 HA HIS 77 -4.313 25.074 -6.645 1243 HB2 HIS 77 HB2 HIS 77 -3.618 27.451 -6.089 1244 HB3 HIS 77 HB3 HIS 77 -4.271 27.969 -7.637 1245 HD1 HIS 77 HD1 HIS 77 -5.371 26.552 -4.317 1246 HD2 HIS 77 HD2 HIS 77 -7.015 28.423 -7.631 1247 HE1 HIS 77 HE1 HIS 77 -7.716 27.116 -3.663 1248 HE2 HIS 77 HE2 HIS 77 -8.573 28.506 -5.573 1249 H HIS 78 H HIS 78 -4.951 23.573 -8.183 1250 HA HIS 78 HA HIS 78 -5.588 23.976 -10.891 1251 HB2 HIS 78 HB2 HIS 78 -5.043 21.786 -9.872 1252 HB3 HIS 78 HB3 HIS 78 -6.529 21.829 -8.937 1253 HD1 HIS 78 HD1 HIS 78 -5.268 21.293 -12.447 1254 HD2 HIS 78 HD2 HIS 78 -8.794 20.906 -10.295 1255 HE1 HIS 78 HE1 HIS 78 -6.812 20.002 -13.927 1256 HE2 HIS 78 HE2 HIS 78 -8.859 19.611 -12.530 1257 H HIS 79 H HIS 79 -7.678 23.856 -11.975 1258 HA HIS 79 HA HIS 79 -9.732 25.548 -11.435 1259 HB2 HIS 79 HB2 HIS 79 -9.458 24.267 -13.546 1260 HB3 HIS 79 HB3 HIS 79 -9.956 22.788 -12.734 1261 HD1 HIS 79 HD1 HIS 79 -12.541 22.698 -11.995 1262 HD2 HIS 79 HD2 HIS 79 -11.520 25.784 -14.594 1263 HE1 HIS 79 HE1 HIS 79 -14.708 23.499 -12.972 1264 HE2 HIS 79 HE2 HIS 79 -14.081 25.483 -14.378 1265 H HIS 80 H HIS 80 -11.559 25.633 -10.130 1266 HA HIS 80 HA HIS 80 -11.633 24.204 -7.714 1267 HB2 HIS 80 HB2 HIS 80 -13.855 25.824 -9.027 1268 HB3 HIS 80 HB3 HIS 80 -13.882 25.273 -7.356 1269 HD1 HIS 80 HD1 HIS 80 -12.113 26.392 -5.727 1270 HD2 HIS 80 HD2 HIS 80 -12.454 28.184 -9.462 1271 HE1 HIS 80 HE1 HIS 80 -11.053 28.651 -5.490 1272 HE2 HIS 80 HE2 HIS 80 -11.104 29.631 -7.800 1273 H HIS 81 H HIS 81 -12.404 22.248 -7.185 1274 HA HIS 81 HA HIS 81 -13.975 20.669 -9.092 1275 HB2 HIS 81 HB2 HIS 81 -13.521 18.762 -7.550 1276 HB3 HIS 81 HB3 HIS 81 -12.050 19.558 -8.086 1277 HD1 HIS 81 HD1 HIS 81 -10.601 20.689 -6.316 1278 HD2 HIS 81 HD2 HIS 81 -14.076 19.025 -4.761 1279 HE1 HIS 81 HE1 HIS 81 -10.294 20.697 -3.831 1280 HE2 HIS 81 HE2 HIS 81 -12.467 19.853 -2.908 1281 H HIS 82 H HIS 82 -15.973 19.686 -8.612 1282 HA HIS 82 HA HIS 82 -17.845 21.243 -7.145 1283 HB2 HIS 82 HB2 HIS 82 -19.515 19.527 -7.786 1284 HB3 HIS 82 HB3 HIS 82 -18.514 19.988 -9.157 1285 HD1 HIS 82 HD1 HIS 82 -19.439 17.081 -7.040 1286 HD2 HIS 82 HD2 HIS 82 -16.720 17.944 -10.058 1287 HE1 HIS 82 HE1 HIS 82 -18.544 14.868 -7.796 1288 HE2 HIS 82 HE2 HIS 82 -17.023 15.404 -9.717 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -0.574 18.745 1.903 2 H2 MET 1 H2 MET 1 0.075 17.205 2.177 3 H3 MET 1 H3 MET 1 -1.012 17.873 3.288 4 HA MET 1 HA MET 1 -2.795 17.786 1.750 5 HB2 MET 1 HB2 MET 1 -1.552 18.241 -0.313 6 HB3 MET 1 HB3 MET 1 -0.716 16.702 -0.189 7 HG2 MET 1 HG2 MET 1 -2.854 15.518 -0.568 8 HG3 MET 1 HG3 MET 1 -3.673 17.076 -0.730 9 HE1 MET 1 HE1 MET 1 -3.537 14.568 -2.877 10 HE2 MET 1 HE2 MET 1 -3.427 15.469 -4.391 11 HE3 MET 1 HE3 MET 1 -4.550 15.987 -3.134 12 H ASP 2 H ASP 2 -0.646 15.010 0.958 13 HA ASP 2 HA ASP 2 -2.771 13.204 1.514 14 HB2 ASP 2 HB2 ASP 2 -0.282 13.114 0.041 15 HB3 ASP 2 HB3 ASP 2 -0.313 11.726 1.114 16 H LYS 3 H LYS 3 -0.170 14.348 3.541 17 HA LYS 3 HA LYS 3 0.103 12.148 5.286 18 HB2 LYS 3 HB2 LYS 3 0.497 15.119 5.719 19 HB3 LYS 3 HB3 LYS 3 0.758 13.969 7.026 20 HG2 LYS 3 HG2 LYS 3 2.201 13.886 4.352 21 HG3 LYS 3 HG3 LYS 3 2.851 14.600 5.833 22 HD2 LYS 3 HD2 LYS 3 2.743 12.397 6.955 23 HD3 LYS 3 HD3 LYS 3 2.060 11.672 5.496 24 HE2 LYS 3 HE2 LYS 3 4.130 12.116 4.272 25 HE3 LYS 3 HE3 LYS 3 4.808 12.958 5.668 26 HZ1 LYS 3 HZ1 LYS 3 5.648 10.718 5.505 27 HZ2 LYS 3 HZ2 LYS 3 4.084 10.078 5.563 28 HZ3 LYS 3 HZ3 LYS 3 4.720 10.885 6.911 29 H LYS 4 H LYS 4 -2.309 14.773 5.365 30 HA LYS 4 HA LYS 4 -3.655 13.774 7.726 31 HB2 LYS 4 HB2 LYS 4 -3.630 16.218 6.909 32 HB3 LYS 4 HB3 LYS 4 -4.771 15.723 5.666 33 HG2 LYS 4 HG2 LYS 4 -5.974 16.742 7.506 34 HG3 LYS 4 HG3 LYS 4 -6.368 15.020 7.432 35 HD2 LYS 4 HD2 LYS 4 -4.776 14.573 9.283 36 HD3 LYS 4 HD3 LYS 4 -4.362 16.289 9.348 37 HE2 LYS 4 HE2 LYS 4 -5.931 15.731 11.136 38 HE3 LYS 4 HE3 LYS 4 -6.711 16.808 9.978 39 HZ1 LYS 4 HZ1 LYS 4 -7.060 13.863 10.135 40 HZ2 LYS 4 HZ2 LYS 4 -7.786 14.867 8.985 41 HZ3 LYS 4 HZ3 LYS 4 -8.183 15.025 10.622 42 H ILE 5 H ILE 5 -4.116 13.599 4.217 43 HA ILE 5 HA ILE 5 -6.718 12.484 4.177 44 HB ILE 5 HB ILE 5 -4.552 12.450 2.034 45 HG12 ILE 5 HG12 ILE 5 -6.927 14.324 2.464 46 HG13 ILE 5 HG13 ILE 5 -5.241 14.725 2.763 47 HG21 ILE 5 HG21 ILE 5 -7.521 11.866 1.705 48 HG22 ILE 5 HG22 ILE 5 -6.215 10.690 1.556 49 HG23 ILE 5 HG23 ILE 5 -6.350 12.008 0.391 50 HD11 ILE 5 HD11 ILE 5 -4.785 14.512 0.359 51 HD12 ILE 5 HD12 ILE 5 -6.013 15.726 0.714 52 HD13 ILE 5 HD13 ILE 5 -6.492 14.152 0.079 53 H VAL 6 H VAL 6 -3.503 10.898 4.067 54 HA VAL 6 HA VAL 6 -4.434 8.264 3.604 55 HB VAL 6 HB VAL 6 -2.220 7.435 4.370 56 HG11 VAL 6 HG11 VAL 6 -0.842 8.525 2.641 57 HG12 VAL 6 HG12 VAL 6 -2.033 9.821 2.501 58 HG13 VAL 6 HG13 VAL 6 -2.469 8.172 2.051 59 HG21 VAL 6 HG21 VAL 6 -1.793 9.009 6.218 60 HG22 VAL 6 HG22 VAL 6 -1.613 10.337 5.074 61 HG23 VAL 6 HG23 VAL 6 -0.445 9.014 5.079 62 H GLY 7 H GLY 7 -4.015 10.137 6.571 63 HA2 GLY 7 HA2 GLY 7 -4.523 8.046 8.443 64 HA3 GLY 7 HA3 GLY 7 -4.772 9.766 8.720 65 H ALA 8 H ALA 8 -6.651 10.311 6.730 66 HA ALA 8 HA ALA 8 -9.083 9.616 8.047 67 HB1 ALA 8 HB1 ALA 8 -8.657 11.007 5.379 68 HB2 ALA 8 HB2 ALA 8 -8.723 11.798 6.953 69 HB3 ALA 8 HB3 ALA 8 -10.161 10.997 6.312 70 H ASN 9 H ASN 9 -7.680 8.628 4.901 71 HA ASN 9 HA ASN 9 -9.923 6.971 4.195 72 HB2 ASN 9 HB2 ASN 9 -8.646 6.397 2.160 73 HB3 ASN 9 HB3 ASN 9 -8.725 8.131 2.413 74 HD21 ASN 9 HD21 ASN 9 -6.896 8.644 1.211 75 HD22 ASN 9 HD22 ASN 9 -5.301 8.179 1.673 76 H ALA 10 H ALA 10 -6.912 6.423 5.911 77 HA ALA 10 HA ALA 10 -6.938 3.539 5.696 78 HB1 ALA 10 HB1 ALA 10 -5.509 5.299 7.718 79 HB2 ALA 10 HB2 ALA 10 -4.853 4.746 6.177 80 HB3 ALA 10 HB3 ALA 10 -5.215 3.575 7.443 81 H GLY 11 H GLY 11 -8.188 5.922 8.024 82 HA2 GLY 11 HA2 GLY 11 -9.228 4.089 9.960 83 HA3 GLY 11 HA3 GLY 11 -9.777 5.741 9.701 84 H LYS 12 H LYS 12 -10.462 5.384 6.961 85 HA LYS 12 HA LYS 12 -13.113 4.370 6.996 86 HB2 LYS 12 HB2 LYS 12 -12.127 6.237 5.573 87 HB3 LYS 12 HB3 LYS 12 -11.328 5.005 4.607 88 HG2 LYS 12 HG2 LYS 12 -13.536 4.135 3.907 89 HG3 LYS 12 HG3 LYS 12 -14.329 5.375 4.893 90 HD2 LYS 12 HD2 LYS 12 -13.073 7.121 3.523 91 HD3 LYS 12 HD3 LYS 12 -12.550 5.815 2.458 92 HE2 LYS 12 HE2 LYS 12 -14.455 6.950 1.481 93 HE3 LYS 12 HE3 LYS 12 -14.940 5.323 1.962 94 HZ1 LYS 12 HZ1 LYS 12 -15.454 7.783 3.537 95 HZ2 LYS 12 HZ2 LYS 12 -15.996 6.224 3.902 96 HZ3 LYS 12 HZ3 LYS 12 -16.577 7.023 2.531 97 H VAL 13 H VAL 13 -10.076 3.139 5.537 98 HA VAL 13 HA VAL 13 -11.003 0.642 4.555 99 HB VAL 13 HB VAL 13 -8.232 1.674 5.295 100 HG11 VAL 13 HG11 VAL 13 -8.097 -0.757 5.626 101 HG12 VAL 13 HG12 VAL 13 -7.213 -0.294 4.171 102 HG13 VAL 13 HG13 VAL 13 -8.808 -1.034 4.035 103 HG21 VAL 13 HG21 VAL 13 -9.508 1.072 2.598 104 HG22 VAL 13 HG22 VAL 13 -7.883 1.718 2.846 105 HG23 VAL 13 HG23 VAL 13 -9.293 2.676 3.303 106 H TRP 14 H TRP 14 -9.753 1.611 7.705 107 HA TRP 14 HA TRP 14 -9.577 -1.006 8.860 108 HB2 TRP 14 HB2 TRP 14 -8.352 1.142 9.650 109 HB3 TRP 14 HB3 TRP 14 -9.848 1.573 10.471 110 HD1 TRP 14 HD1 TRP 14 -7.063 -1.106 10.536 111 HE1 TRP 14 HE1 TRP 14 -7.052 -2.228 12.843 112 HE3 TRP 14 HE3 TRP 14 -11.196 1.100 12.513 113 HZ2 TRP 14 HZ2 TRP 14 -8.578 -2.185 15.210 114 HZ3 TRP 14 HZ3 TRP 14 -11.877 0.514 14.816 115 HH2 TRP 14 HH2 TRP 14 -10.590 -1.101 16.138 116 H HIS 15 H HIS 15 -12.111 1.455 8.720 117 HA HIS 15 HA HIS 15 -14.045 0.333 10.429 118 HB2 HIS 15 HB2 HIS 15 -14.288 2.599 9.509 119 HB3 HIS 15 HB3 HIS 15 -14.414 1.956 7.874 120 HD1 HIS 15 HD1 HIS 15 -16.388 2.468 11.016 121 HD2 HIS 15 HD2 HIS 15 -16.957 0.884 7.218 122 HE1 HIS 15 HE1 HIS 15 -18.857 2.082 10.813 123 HE2 HIS 15 HE2 HIS 15 -19.163 1.054 8.538 124 H ALA 16 H ALA 16 -13.149 -0.514 7.118 125 HA ALA 16 HA ALA 16 -15.314 -2.189 6.432 126 HB1 ALA 16 HB1 ALA 16 -12.437 -2.411 5.495 127 HB2 ALA 16 HB2 ALA 16 -13.666 -1.361 4.792 128 HB3 ALA 16 HB3 ALA 16 -13.853 -3.112 4.700 129 H LEU 17 H LEU 17 -12.563 -2.823 8.518 130 HA LEU 17 HA LEU 17 -12.745 -5.660 8.700 131 HB2 LEU 17 HB2 LEU 17 -11.709 -3.645 10.716 132 HB3 LEU 17 HB3 LEU 17 -11.479 -5.384 10.854 133 HG LEU 17 HG LEU 17 -10.385 -3.650 8.597 134 HD11 LEU 17 HD11 LEU 17 -9.267 -3.145 10.699 135 HD12 LEU 17 HD12 LEU 17 -8.182 -4.012 9.616 136 HD13 LEU 17 HD13 LEU 17 -8.936 -4.857 10.970 137 HD21 LEU 17 HD21 LEU 17 -9.913 -6.594 9.198 138 HD22 LEU 17 HD22 LEU 17 -9.104 -5.651 7.942 139 HD23 LEU 17 HD23 LEU 17 -10.839 -5.938 7.843 140 H ASN 18 H ASN 18 -14.308 -3.090 10.655 141 HA ASN 18 HA ASN 18 -15.774 -4.629 12.470 142 HB2 ASN 18 HB2 ASN 18 -15.664 -2.185 12.628 143 HB3 ASN 18 HB3 ASN 18 -16.536 -2.006 11.110 144 HD21 ASN 18 HD21 ASN 18 -18.805 -2.318 11.104 145 HD22 ASN 18 HD22 ASN 18 -19.716 -2.395 12.566 146 H GLU 19 H GLU 19 -16.427 -3.925 9.094 147 HA GLU 19 HA GLU 19 -19.067 -5.148 9.017 148 HB2 GLU 19 HB2 GLU 19 -17.248 -4.253 6.730 149 HB3 GLU 19 HB3 GLU 19 -18.966 -4.637 6.609 150 HG2 GLU 19 HG2 GLU 19 -19.514 -2.711 8.042 151 HG3 GLU 19 HG3 GLU 19 -17.797 -2.338 8.216 152 H ALA 20 H ALA 20 -15.787 -5.969 7.885 153 HA ALA 20 HA ALA 20 -16.458 -8.810 7.558 154 HB1 ALA 20 HB1 ALA 20 -16.946 -7.795 5.362 155 HB2 ALA 20 HB2 ALA 20 -15.553 -8.873 5.259 156 HB3 ALA 20 HB3 ALA 20 -15.314 -7.124 5.294 157 H ASP 21 H ASP 21 -14.946 -9.793 8.766 158 HA ASP 21 HA ASP 21 -12.159 -8.821 8.890 159 HB2 ASP 21 HB2 ASP 21 -13.540 -9.512 10.988 160 HB3 ASP 21 HB3 ASP 21 -13.310 -11.170 10.455 161 H GLY 22 H GLY 22 -10.530 -9.881 7.789 162 HA2 GLY 22 HA2 GLY 22 -9.483 -11.515 6.489 163 HA3 GLY 22 HA3 GLY 22 -10.910 -12.539 6.613 164 H ILE 23 H ILE 23 -10.355 -9.220 5.407 165 HA ILE 23 HA ILE 23 -11.755 -9.901 2.877 166 HB ILE 23 HB ILE 23 -13.034 -8.352 4.379 167 HG12 ILE 23 HG12 ILE 23 -13.508 -6.570 2.641 168 HG13 ILE 23 HG13 ILE 23 -12.096 -7.120 1.746 169 HG21 ILE 23 HG21 ILE 23 -10.759 -6.382 3.976 170 HG22 ILE 23 HG22 ILE 23 -11.168 -7.199 5.486 171 HG23 ILE 23 HG23 ILE 23 -12.294 -6.038 4.779 172 HD11 ILE 23 HD11 ILE 23 -13.160 -9.288 1.391 173 HD12 ILE 23 HD12 ILE 23 -14.163 -7.966 0.798 174 HD13 ILE 23 HD13 ILE 23 -14.567 -8.759 2.321 175 H SER 24 H SER 24 -10.770 -9.352 0.932 176 HA SER 24 HA SER 24 -7.944 -8.654 0.950 177 HB2 SER 24 HB2 SER 24 -8.016 -9.170 -1.459 178 HB3 SER 24 HB3 SER 24 -8.807 -10.446 -0.536 179 HG SER 24 HG SER 24 -9.992 -9.794 -2.400 180 H ILE 25 H ILE 25 -7.061 -7.058 -0.640 181 HA ILE 25 HA ILE 25 -7.842 -4.472 0.010 182 HB ILE 25 HB ILE 25 -6.078 -5.390 -2.291 183 HG12 ILE 25 HG12 ILE 25 -5.319 -4.410 0.504 184 HG13 ILE 25 HG13 ILE 25 -5.282 -6.084 -0.038 185 HG21 ILE 25 HG21 ILE 25 -6.300 -2.579 -1.158 186 HG22 ILE 25 HG22 ILE 25 -6.815 -3.105 -2.763 187 HG23 ILE 25 HG23 ILE 25 -5.105 -3.122 -2.338 188 HD11 ILE 25 HD11 ILE 25 -3.519 -5.516 -1.657 189 HD12 ILE 25 HD12 ILE 25 -3.053 -5.141 -0.000 190 HD13 ILE 25 HD13 ILE 25 -3.541 -3.844 -1.087 191 HA PRO 26 HA PRO 26 -9.729 -3.658 -4.418 192 HB2 PRO 26 HB2 PRO 26 -10.490 -5.706 -6.062 193 HB3 PRO 26 HB3 PRO 26 -8.835 -5.076 -6.038 194 HG2 PRO 26 HG2 PRO 26 -9.955 -7.500 -4.631 195 HG3 PRO 26 HG3 PRO 26 -8.466 -7.360 -5.592 196 HD2 PRO 26 HD2 PRO 26 -8.423 -7.260 -2.877 197 HD3 PRO 26 HD3 PRO 26 -7.291 -6.307 -3.858 198 H GLU 27 H GLU 27 -11.020 -6.475 -2.702 199 HA GLU 27 HA GLU 27 -13.780 -6.081 -3.357 200 HB2 GLU 27 HB2 GLU 27 -12.454 -7.688 -1.140 201 HB3 GLU 27 HB3 GLU 27 -14.182 -7.739 -1.495 202 HG2 GLU 27 HG2 GLU 27 -11.941 -8.570 -3.366 203 HG3 GLU 27 HG3 GLU 27 -13.011 -9.654 -2.476 204 H LEU 28 H LEU 28 -11.811 -5.291 -0.477 205 HA LEU 28 HA LEU 28 -13.923 -3.885 0.867 206 HB2 LEU 28 HB2 LEU 28 -12.473 -3.625 2.641 207 HB3 LEU 28 HB3 LEU 28 -11.738 -4.990 1.841 208 HG LEU 28 HG LEU 28 -10.250 -3.036 0.693 209 HD11 LEU 28 HD11 LEU 28 -9.710 -1.261 2.288 210 HD12 LEU 28 HD12 LEU 28 -10.968 -1.834 3.385 211 HD13 LEU 28 HD13 LEU 28 -11.403 -1.182 1.803 212 HD21 LEU 28 HD21 LEU 28 -8.500 -3.454 2.354 213 HD22 LEU 28 HD22 LEU 28 -9.336 -4.946 1.931 214 HD23 LEU 28 HD23 LEU 28 -9.692 -4.148 3.464 215 H ALA 29 H ALA 29 -11.433 -2.977 -1.452 216 HA ALA 29 HA ALA 29 -11.401 -0.190 -1.246 217 HB1 ALA 29 HB1 ALA 29 -10.637 -0.151 -3.586 218 HB2 ALA 29 HB2 ALA 29 -11.157 -1.828 -3.794 219 HB3 ALA 29 HB3 ALA 29 -9.841 -1.446 -2.684 220 H ARG 30 H ARG 30 -13.629 -2.266 -3.092 221 HA ARG 30 HA ARG 30 -15.218 -0.166 -4.189 222 HB2 ARG 30 HB2 ARG 30 -15.837 -3.115 -3.764 223 HB3 ARG 30 HB3 ARG 30 -16.856 -2.012 -4.690 224 HG2 ARG 30 HG2 ARG 30 -14.910 -1.596 -6.231 225 HG3 ARG 30 HG3 ARG 30 -13.998 -2.822 -5.343 226 HD2 ARG 30 HD2 ARG 30 -16.610 -3.311 -6.815 227 HD3 ARG 30 HD3 ARG 30 -15.008 -3.677 -7.455 228 HE ARG 30 HE ARG 30 -14.898 -5.137 -5.282 229 HH11 ARG 30 HH11 ARG 30 -17.668 -4.777 -7.343 230 HH12 ARG 30 HH12 ARG 30 -18.224 -6.383 -7.033 231 HH21 ARG 30 HH21 ARG 30 -15.641 -7.191 -4.933 232 HH22 ARG 30 HH22 ARG 30 -17.095 -7.722 -5.695 233 H LYS 31 H LYS 31 -15.354 -1.942 -1.136 234 HA LYS 31 HA LYS 31 -17.884 -0.960 -0.219 235 HB2 LYS 31 HB2 LYS 31 -15.478 -2.025 1.324 236 HB3 LYS 31 HB3 LYS 31 -17.029 -1.642 2.070 237 HG2 LYS 31 HG2 LYS 31 -18.125 -3.377 0.704 238 HG3 LYS 31 HG3 LYS 31 -16.586 -3.747 -0.080 239 HD2 LYS 31 HD2 LYS 31 -17.165 -5.375 1.728 240 HD3 LYS 31 HD3 LYS 31 -15.641 -4.538 2.026 241 HE2 LYS 31 HE2 LYS 31 -17.053 -4.759 4.076 242 HE3 LYS 31 HE3 LYS 31 -16.712 -3.080 3.669 243 HZ1 LYS 31 HZ1 LYS 31 -19.027 -3.452 4.317 244 HZ2 LYS 31 HZ2 LYS 31 -19.239 -4.501 3.004 245 HZ3 LYS 31 HZ3 LYS 31 -18.906 -2.868 2.737 246 H VAL 32 H VAL 32 -14.536 0.232 0.105 247 HA VAL 32 HA VAL 32 -15.405 2.531 1.739 248 HB VAL 32 HB VAL 32 -13.046 2.930 2.230 249 HG11 VAL 32 HG11 VAL 32 -12.518 0.842 3.464 250 HG12 VAL 32 HG12 VAL 32 -13.760 -0.016 2.548 251 HG13 VAL 32 HG13 VAL 32 -14.213 1.297 3.639 252 HG21 VAL 32 HG21 VAL 32 -12.396 0.619 0.348 253 HG22 VAL 32 HG22 VAL 32 -11.234 1.448 1.388 254 HG23 VAL 32 HG23 VAL 32 -12.023 2.322 0.075 255 H ASN 33 H ASN 33 -15.334 1.957 -1.452 256 HA ASN 33 HA ASN 33 -15.569 3.245 -3.289 257 HB2 ASN 33 HB2 ASN 33 -15.708 5.538 -1.294 258 HB3 ASN 33 HB3 ASN 33 -16.195 5.644 -2.984 259 HD21 ASN 33 HD21 ASN 33 -17.785 6.050 -0.550 260 HD22 ASN 33 HD22 ASN 33 -19.111 4.949 -0.664 261 H LEU 34 H LEU 34 -12.782 2.931 -1.985 262 HA LEU 34 HA LEU 34 -11.302 5.074 -3.391 263 HB2 LEU 34 HB2 LEU 34 -10.247 2.892 -1.540 264 HB3 LEU 34 HB3 LEU 34 -9.321 4.236 -2.192 265 HG LEU 34 HG LEU 34 -11.609 4.480 -0.193 266 HD11 LEU 34 HD11 LEU 34 -9.887 5.078 1.445 267 HD12 LEU 34 HD12 LEU 34 -8.621 4.798 0.247 268 HD13 LEU 34 HD13 LEU 34 -9.621 3.455 0.808 269 HD21 LEU 34 HD21 LEU 34 -10.961 6.847 0.002 270 HD22 LEU 34 HD22 LEU 34 -11.482 6.461 -1.634 271 HD23 LEU 34 HD23 LEU 34 -9.762 6.637 -1.279 272 H SER 35 H SER 35 -9.559 4.486 -4.863 273 HA SER 35 HA SER 35 -9.908 2.189 -6.541 274 HB2 SER 35 HB2 SER 35 -8.836 4.216 -7.419 275 HB3 SER 35 HB3 SER 35 -7.513 4.064 -6.262 276 HG SER 35 HG SER 35 -7.439 3.150 -8.621 277 H VAL 36 H VAL 36 -8.248 0.454 -6.873 278 HA VAL 36 HA VAL 36 -7.693 -0.994 -4.533 279 HB VAL 36 HB VAL 36 -6.383 -1.334 -7.263 280 HG11 VAL 36 HG11 VAL 36 -6.622 -3.327 -4.973 281 HG12 VAL 36 HG12 VAL 36 -5.133 -2.577 -5.558 282 HG13 VAL 36 HG13 VAL 36 -6.017 -3.702 -6.589 283 HG21 VAL 36 HG21 VAL 36 -8.153 -3.005 -7.714 284 HG22 VAL 36 HG22 VAL 36 -8.840 -1.406 -7.427 285 HG23 VAL 36 HG23 VAL 36 -8.906 -2.633 -6.159 286 H GLU 37 H GLU 37 -5.488 1.000 -6.528 287 HA GLU 37 HA GLU 37 -3.119 0.661 -5.008 288 HB2 GLU 37 HB2 GLU 37 -3.940 3.067 -6.679 289 HB3 GLU 37 HB3 GLU 37 -2.304 2.717 -6.125 290 HG2 GLU 37 HG2 GLU 37 -2.353 0.624 -7.478 291 HG3 GLU 37 HG3 GLU 37 -3.931 1.100 -8.106 292 H SER 38 H SER 38 -5.572 3.264 -4.896 293 HA SER 38 HA SER 38 -4.561 4.863 -2.833 294 HB2 SER 38 HB2 SER 38 -6.409 5.631 -4.222 295 HB3 SER 38 HB3 SER 38 -7.446 4.327 -3.647 296 HG SER 38 HG SER 38 -8.050 5.963 -2.392 297 H THR 39 H THR 39 -6.601 1.993 -2.654 298 HA THR 39 HA THR 39 -7.091 2.019 0.155 299 HB THR 39 HB THR 39 -7.357 -0.230 -1.885 300 HG1 THR 39 HG1 THR 39 -8.983 1.074 -2.350 301 HG21 THR 39 HG21 THR 39 -7.121 -1.229 0.360 302 HG22 THR 39 HG22 THR 39 -8.780 -1.389 -0.221 303 HG23 THR 39 HG23 THR 39 -8.381 -0.158 0.979 304 H ALA 40 H ALA 40 -4.890 0.051 -1.897 305 HA ALA 40 HA ALA 40 -3.610 -1.438 0.105 306 HB1 ALA 40 HB1 ALA 40 -1.867 -1.886 -1.573 307 HB2 ALA 40 HB2 ALA 40 -2.485 -0.566 -2.570 308 HB3 ALA 40 HB3 ALA 40 -3.481 -1.994 -2.283 309 H LEU 41 H LEU 41 -2.909 1.801 -1.062 310 HA LEU 41 HA LEU 41 -0.499 2.291 0.372 311 HB2 LEU 41 HB2 LEU 41 -0.995 3.601 -1.548 312 HB3 LEU 41 HB3 LEU 41 -2.604 3.985 -0.997 313 HG LEU 41 HG LEU 41 -0.827 5.865 -1.096 314 HD11 LEU 41 HD11 LEU 41 -3.024 6.161 -0.108 315 HD12 LEU 41 HD12 LEU 41 -1.791 7.053 0.774 316 HD13 LEU 41 HD13 LEU 41 -2.436 5.551 1.442 317 HD21 LEU 41 HD21 LEU 41 0.065 4.638 1.528 318 HD22 LEU 41 HD22 LEU 41 0.575 6.195 0.870 319 HD23 LEU 41 HD23 LEU 41 1.005 4.702 0.036 320 H ALA 42 H ALA 42 -3.932 2.967 1.093 321 HA ALA 42 HA ALA 42 -3.621 4.079 3.681 322 HB1 ALA 42 HB1 ALA 42 -5.997 2.587 2.520 323 HB2 ALA 42 HB2 ALA 42 -5.677 4.314 2.352 324 HB3 ALA 42 HB3 ALA 42 -6.031 3.634 3.941 325 H VAL 43 H VAL 43 -3.862 0.737 2.585 326 HA VAL 43 HA VAL 43 -4.106 -0.642 5.010 327 HB VAL 43 HB VAL 43 -2.795 -1.447 2.379 328 HG11 VAL 43 HG11 VAL 43 -3.533 -3.268 4.697 329 HG12 VAL 43 HG12 VAL 43 -1.900 -2.912 4.125 330 HG13 VAL 43 HG13 VAL 43 -3.021 -3.807 3.097 331 HG21 VAL 43 HG21 VAL 43 -4.905 -2.656 1.942 332 HG22 VAL 43 HG22 VAL 43 -5.197 -0.935 2.183 333 HG23 VAL 43 HG23 VAL 43 -5.562 -2.078 3.473 334 H GLY 44 H GLY 44 -1.183 0.383 3.210 335 HA2 GLY 44 HA2 GLY 44 0.807 -0.577 4.964 336 HA3 GLY 44 HA3 GLY 44 0.978 0.799 3.882 337 H TRP 45 H TRP 45 -1.189 2.318 5.120 338 HA TRP 45 HA TRP 45 0.242 3.644 7.227 339 HB2 TRP 45 HB2 TRP 45 -1.244 4.742 5.463 340 HB3 TRP 45 HB3 TRP 45 -2.631 4.154 6.374 341 HD1 TRP 45 HD1 TRP 45 -3.439 5.712 8.336 342 HE1 TRP 45 HE1 TRP 45 -2.537 7.861 9.409 343 HE3 TRP 45 HE3 TRP 45 1.180 5.835 6.149 344 HZ2 TRP 45 HZ2 TRP 45 -0.189 9.415 9.346 345 HZ3 TRP 45 HZ3 TRP 45 2.705 7.691 6.712 346 HH2 TRP 45 HH2 TRP 45 2.027 9.438 8.285 347 H LEU 46 H LEU 46 -2.471 1.375 7.152 348 HA LEU 46 HA LEU 46 -2.914 1.406 10.006 349 HB2 LEU 46 HB2 LEU 46 -3.683 -0.629 7.887 350 HB3 LEU 46 HB3 LEU 46 -4.204 -0.707 9.566 351 HG LEU 46 HG LEU 46 -4.893 1.518 7.603 352 HD11 LEU 46 HD11 LEU 46 -7.183 0.669 7.696 353 HD12 LEU 46 HD12 LEU 46 -6.667 -0.663 8.734 354 HD13 LEU 46 HD13 LEU 46 -6.071 -0.551 7.072 355 HD21 LEU 46 HD21 LEU 46 -5.797 1.140 10.480 356 HD22 LEU 46 HD22 LEU 46 -6.379 2.380 9.364 357 HD23 LEU 46 HD23 LEU 46 -4.698 2.387 9.884 358 H ALA 47 H ALA 47 -1.034 -0.632 7.794 359 HA ALA 47 HA ALA 47 -0.122 -2.620 9.526 360 HB1 ALA 47 HB1 ALA 47 1.264 -1.518 7.059 361 HB2 ALA 47 HB2 ALA 47 0.018 -2.769 7.070 362 HB3 ALA 47 HB3 ALA 47 1.587 -3.082 7.815 363 H ARG 48 H ARG 48 1.225 0.626 8.943 364 HA ARG 48 HA ARG 48 3.689 0.361 10.298 365 HB2 ARG 48 HB2 ARG 48 3.752 2.775 10.438 366 HB3 ARG 48 HB3 ARG 48 3.038 2.341 8.891 367 HG2 ARG 48 HG2 ARG 48 0.854 2.940 9.627 368 HG3 ARG 48 HG3 ARG 48 1.364 3.054 11.303 369 HD2 ARG 48 HD2 ARG 48 2.823 5.015 10.623 370 HD3 ARG 48 HD3 ARG 48 2.016 4.966 9.046 371 HE ARG 48 HE ARG 48 -0.128 5.155 10.470 372 HH11 ARG 48 HH11 ARG 48 2.842 6.755 11.277 373 HH12 ARG 48 HH12 ARG 48 2.040 8.016 12.144 374 HH21 ARG 48 HH21 ARG 48 -1.115 6.719 11.625 375 HH22 ARG 48 HH22 ARG 48 -0.189 7.984 12.357 376 H GLU 49 H GLU 49 0.442 0.895 11.558 377 HA GLU 49 HA GLU 49 1.352 1.276 14.335 378 HB2 GLU 49 HB2 GLU 49 -1.373 1.631 13.013 379 HB3 GLU 49 HB3 GLU 49 -1.075 1.888 14.730 380 HG2 GLU 49 HG2 GLU 49 0.379 3.762 14.279 381 HG3 GLU 49 HG3 GLU 49 0.371 3.428 12.553 382 H ASN 50 H ASN 50 0.697 -1.300 12.429 383 HA ASN 50 HA ASN 50 0.180 -3.483 12.677 384 HB2 ASN 50 HB2 ASN 50 1.846 -3.171 14.587 385 HB3 ASN 50 HB3 ASN 50 0.476 -3.060 15.685 386 HD21 ASN 50 HD21 ASN 50 -0.698 -4.974 16.160 387 HD22 ASN 50 HD22 ASN 50 -0.101 -6.539 15.742 388 H LYS 51 H LYS 51 -1.974 -1.508 12.695 389 HA LYS 51 HA LYS 51 -4.132 -2.358 14.387 390 HB2 LYS 51 HB2 LYS 51 -4.007 -0.629 11.893 391 HB3 LYS 51 HB3 LYS 51 -5.516 -0.942 12.747 392 HG2 LYS 51 HG2 LYS 51 -4.655 0.124 14.760 393 HG3 LYS 51 HG3 LYS 51 -3.078 0.362 13.993 394 HD2 LYS 51 HD2 LYS 51 -3.998 1.932 12.409 395 HD3 LYS 51 HD3 LYS 51 -5.653 1.562 12.898 396 HE2 LYS 51 HE2 LYS 51 -5.316 2.613 15.048 397 HE3 LYS 51 HE3 LYS 51 -3.590 2.822 14.739 398 HZ1 LYS 51 HZ1 LYS 51 -4.869 4.862 14.414 399 HZ2 LYS 51 HZ2 LYS 51 -5.758 4.122 13.177 400 HZ3 LYS 51 HZ3 LYS 51 -4.093 4.371 12.995 401 H VAL 52 H VAL 52 -2.838 -3.557 11.446 402 HA VAL 52 HA VAL 52 -5.180 -5.310 10.974 403 HB VAL 52 HB VAL 52 -4.684 -5.244 8.516 404 HG11 VAL 52 HG11 VAL 52 -5.690 -3.029 8.071 405 HG12 VAL 52 HG12 VAL 52 -5.336 -2.530 9.726 406 HG13 VAL 52 HG13 VAL 52 -6.482 -3.838 9.425 407 HG21 VAL 52 HG21 VAL 52 -2.772 -2.966 9.202 408 HG22 VAL 52 HG22 VAL 52 -3.253 -3.441 7.571 409 HG23 VAL 52 HG23 VAL 52 -2.313 -4.549 8.571 410 H VAL 53 H VAL 53 -4.742 -7.403 10.326 411 HA VAL 53 HA VAL 53 -1.985 -8.415 10.609 412 HB VAL 53 HB VAL 53 -4.583 -10.024 10.486 413 HG11 VAL 53 HG11 VAL 53 -3.243 -11.905 11.374 414 HG12 VAL 53 HG12 VAL 53 -1.790 -10.906 11.325 415 HG13 VAL 53 HG13 VAL 53 -2.607 -11.347 9.824 416 HG21 VAL 53 HG21 VAL 53 -4.610 -8.605 12.483 417 HG22 VAL 53 HG22 VAL 53 -3.016 -9.198 12.954 418 HG23 VAL 53 HG23 VAL 53 -4.396 -10.298 12.935 419 H ILE 54 H ILE 54 -1.063 -8.069 8.596 420 HA ILE 54 HA ILE 54 -2.397 -8.710 6.118 421 HB ILE 54 HB ILE 54 0.541 -8.085 6.672 422 HG12 ILE 54 HG12 ILE 54 -0.888 -6.183 7.257 423 HG13 ILE 54 HG13 ILE 54 -0.008 -5.809 5.780 424 HG21 ILE 54 HG21 ILE 54 0.369 -9.305 4.553 425 HG22 ILE 54 HG22 ILE 54 0.756 -7.614 4.240 426 HG23 ILE 54 HG23 ILE 54 -0.889 -8.202 3.985 427 HD11 ILE 54 HD11 ILE 54 -2.282 -5.026 5.656 428 HD12 ILE 54 HD12 ILE 54 -2.904 -6.643 5.966 429 HD13 ILE 54 HD13 ILE 54 -2.029 -6.304 4.469 430 H GLU 55 H GLU 55 -2.590 -10.702 5.296 431 HA GLU 55 HA GLU 55 -0.484 -12.716 5.760 432 HB2 GLU 55 HB2 GLU 55 -2.856 -12.945 7.062 433 HB3 GLU 55 HB3 GLU 55 -3.348 -13.668 5.536 434 HG2 GLU 55 HG2 GLU 55 -1.058 -14.605 7.307 435 HG3 GLU 55 HG3 GLU 55 -2.654 -15.344 7.212 436 H ARG 56 H ARG 56 0.388 -13.138 3.864 437 HA ARG 56 HA ARG 56 -1.122 -12.893 1.355 438 HB2 ARG 56 HB2 ARG 56 1.851 -13.242 1.935 439 HB3 ARG 56 HB3 ARG 56 1.172 -13.234 0.306 440 HG2 ARG 56 HG2 ARG 56 0.376 -10.952 0.587 441 HG3 ARG 56 HG3 ARG 56 0.889 -10.937 2.275 442 HD2 ARG 56 HD2 ARG 56 2.778 -11.240 -0.086 443 HD3 ARG 56 HD3 ARG 56 2.435 -9.709 0.723 444 HE ARG 56 HE ARG 56 4.057 -11.907 1.708 445 HH11 ARG 56 HH11 ARG 56 2.511 -8.910 2.556 446 HH12 ARG 56 HH12 ARG 56 3.428 -8.744 4.009 447 HH21 ARG 56 HH21 ARG 56 5.218 -11.607 3.559 448 HH22 ARG 56 HH22 ARG 56 4.937 -10.217 4.546 449 H LYS 57 H LYS 57 -2.303 -14.625 0.951 450 HA LYS 57 HA LYS 57 -1.150 -17.348 1.275 451 HB2 LYS 57 HB2 LYS 57 -3.448 -18.231 1.434 452 HB3 LYS 57 HB3 LYS 57 -3.113 -17.086 2.719 453 HG2 LYS 57 HG2 LYS 57 -4.604 -16.266 0.217 454 HG3 LYS 57 HG3 LYS 57 -5.433 -17.026 1.573 455 HD2 LYS 57 HD2 LYS 57 -3.826 -14.448 1.753 456 HD3 LYS 57 HD3 LYS 57 -5.581 -14.529 1.564 457 HE2 LYS 57 HE2 LYS 57 -3.988 -15.595 3.926 458 HE3 LYS 57 HE3 LYS 57 -4.974 -14.135 3.905 459 HZ1 LYS 57 HZ1 LYS 57 -6.931 -15.487 3.530 460 HZ2 LYS 57 HZ2 LYS 57 -6.128 -15.992 4.930 461 HZ3 LYS 57 HZ3 LYS 57 -6.002 -16.894 3.506 462 H ASN 58 H ASN 58 -0.893 -18.569 -0.502 463 HA ASN 58 HA ASN 58 -0.596 -19.153 -2.685 464 HB2 ASN 58 HB2 ASN 58 -3.416 -18.028 -3.015 465 HB3 ASN 58 HB3 ASN 58 -2.617 -19.106 -4.152 466 HD21 ASN 58 HD21 ASN 58 -5.123 -19.432 -2.631 467 HD22 ASN 58 HD22 ASN 58 -4.937 -20.909 -1.754 468 H GLY 59 H GLY 59 0.302 -16.455 -1.926 469 HA2 GLY 59 HA2 GLY 59 1.417 -14.743 -3.052 470 HA3 GLY 59 HA3 GLY 59 0.640 -15.222 -4.548 471 H LEU 60 H LEU 60 -2.033 -15.060 -2.956 472 HA LEU 60 HA LEU 60 -2.670 -12.350 -3.736 473 HB2 LEU 60 HB2 LEU 60 -4.367 -14.569 -2.516 474 HB3 LEU 60 HB3 LEU 60 -5.005 -12.981 -2.888 475 HG LEU 60 HG LEU 60 -5.703 -14.393 -4.658 476 HD11 LEU 60 HD11 LEU 60 -4.678 -13.451 -6.649 477 HD12 LEU 60 HD12 LEU 60 -3.311 -12.866 -5.697 478 HD13 LEU 60 HD13 LEU 60 -4.929 -12.218 -5.415 479 HD21 LEU 60 HD21 LEU 60 -4.231 -15.830 -5.993 480 HD22 LEU 60 HD22 LEU 60 -4.224 -16.288 -4.292 481 HD23 LEU 60 HD23 LEU 60 -2.860 -15.393 -4.964 482 H ILE 61 H ILE 61 -3.336 -10.667 -2.393 483 HA ILE 61 HA ILE 61 -2.321 -10.722 0.355 484 HB ILE 61 HB ILE 61 -3.634 -8.317 -0.973 485 HG12 ILE 61 HG12 ILE 61 -1.895 -9.144 -2.551 486 HG13 ILE 61 HG13 ILE 61 -1.497 -7.568 -1.885 487 HG21 ILE 61 HG21 ILE 61 -2.174 -7.005 0.534 488 HG22 ILE 61 HG22 ILE 61 -1.500 -8.499 1.188 489 HG23 ILE 61 HG23 ILE 61 -3.205 -8.121 1.435 490 HD11 ILE 61 HD11 ILE 61 0.120 -8.615 -0.384 491 HD12 ILE 61 HD12 ILE 61 0.449 -8.980 -2.077 492 HD13 ILE 61 HD13 ILE 61 -0.295 -10.200 -1.045 493 H GLU 62 H GLU 62 -3.654 -10.738 2.163 494 HA GLU 62 HA GLU 62 -6.427 -9.810 1.943 495 HB2 GLU 62 HB2 GLU 62 -6.474 -12.285 1.566 496 HB3 GLU 62 HB3 GLU 62 -5.777 -12.525 3.158 497 HG2 GLU 62 HG2 GLU 62 -7.757 -11.687 4.240 498 HG3 GLU 62 HG3 GLU 62 -8.421 -11.109 2.710 499 H ILE 63 H ILE 63 -7.300 -9.015 3.813 500 HA ILE 63 HA ILE 63 -5.355 -8.359 5.942 501 HB ILE 63 HB ILE 63 -7.755 -6.764 4.959 502 HG12 ILE 63 HG12 ILE 63 -4.781 -6.294 4.469 503 HG13 ILE 63 HG13 ILE 63 -5.953 -6.834 3.266 504 HG21 ILE 63 HG21 ILE 63 -6.911 -4.922 6.369 505 HG22 ILE 63 HG22 ILE 63 -5.619 -5.959 6.968 506 HG23 ILE 63 HG23 ILE 63 -7.300 -6.341 7.345 507 HD11 ILE 63 HD11 ILE 63 -5.932 -4.191 4.686 508 HD12 ILE 63 HD12 ILE 63 -7.157 -4.724 3.533 509 HD13 ILE 63 HD13 ILE 63 -5.490 -4.502 3.008 510 H TYR 64 H TYR 64 -5.880 -8.676 7.949 511 HA TYR 64 HA TYR 64 -8.626 -9.469 8.761 512 HB2 TYR 64 HB2 TYR 64 -5.977 -10.453 9.901 513 HB3 TYR 64 HB3 TYR 64 -7.561 -10.851 10.550 514 HD1 TYR 64 HD1 TYR 64 -5.247 -11.413 7.686 515 HD2 TYR 64 HD2 TYR 64 -8.933 -12.573 9.516 516 HE1 TYR 64 HE1 TYR 64 -5.351 -13.397 6.228 517 HE2 TYR 64 HE2 TYR 64 -9.029 -14.552 8.068 518 HH TYR 64 HH TYR 64 -8.120 -15.210 5.805 519 H ASN 65 H ASN 65 -9.088 -8.904 11.076 520 HA ASN 65 HA ASN 65 -8.007 -6.296 11.817 521 HB2 ASN 65 HB2 ASN 65 -10.487 -7.121 12.037 522 HB3 ASN 65 HB3 ASN 65 -9.944 -7.942 13.492 523 HD21 ASN 65 HD21 ASN 65 -11.873 -5.780 13.160 524 HD22 ASN 65 HD22 ASN 65 -11.311 -4.471 14.131 525 H GLU 66 H GLU 66 -6.885 -5.900 13.875 526 HA GLU 66 HA GLU 66 -4.817 -7.669 14.454 527 HB2 GLU 66 HB2 GLU 66 -4.331 -6.183 16.435 528 HB3 GLU 66 HB3 GLU 66 -4.513 -5.353 14.900 529 HG2 GLU 66 HG2 GLU 66 -5.608 -3.969 16.457 530 HG3 GLU 66 HG3 GLU 66 -6.905 -4.801 15.603 531 H GLY 67 H GLY 67 -8.016 -7.700 15.839 532 HA2 GLY 67 HA2 GLY 67 -7.541 -9.248 18.179 533 HA3 GLY 67 HA3 GLY 67 -9.072 -9.091 17.332 534 H HIS 68 H HIS 68 -7.608 -10.176 14.830 535 HA HIS 68 HA HIS 68 -8.359 -12.918 15.093 536 HB2 HIS 68 HB2 HIS 68 -8.542 -11.631 12.966 537 HB3 HIS 68 HB3 HIS 68 -6.787 -11.543 12.865 538 HD1 HIS 68 HD1 HIS 68 -9.661 -13.951 12.488 539 HD2 HIS 68 HD2 HIS 68 -5.567 -13.833 11.796 540 HE1 HIS 68 HE1 HIS 68 -9.148 -16.015 11.164 541 HE2 HIS 68 HE2 HIS 68 -6.653 -15.996 10.882 542 H PHE 69 H PHE 69 -5.424 -11.319 15.927 543 HA PHE 69 HA PHE 69 -3.493 -13.331 15.588 544 HB2 PHE 69 HB2 PHE 69 -3.726 -11.074 17.601 545 HB3 PHE 69 HB3 PHE 69 -2.412 -12.237 17.718 546 HD1 PHE 69 HD2 PHE 69 -1.471 -12.672 15.029 547 HD2 PHE 69 HD1 PHE 69 -2.871 -9.026 16.786 548 HE1 PHE 69 HE2 PHE 69 -0.091 -11.375 13.453 549 HE2 PHE 69 HE1 PHE 69 -1.483 -7.742 15.209 550 HZ PHE 69 HZ PHE 69 -0.091 -8.913 13.544 551 H ASP 70 H ASP 70 -4.366 -15.384 16.049 552 HA ASP 70 HA ASP 70 -4.923 -16.123 18.818 553 HB2 ASP 70 HB2 ASP 70 -6.096 -17.285 16.960 554 HB3 ASP 70 HB3 ASP 70 -4.556 -17.840 16.317 555 H PHE 71 H PHE 71 -3.236 -16.199 20.211 556 HA PHE 71 HA PHE 71 -0.525 -16.033 19.402 557 HB2 PHE 71 HB2 PHE 71 -1.488 -15.046 21.507 558 HB3 PHE 71 HB3 PHE 71 -1.593 -16.665 22.185 559 HD1 PHE 71 HD2 PHE 71 0.789 -14.066 20.968 560 HD2 PHE 71 HD1 PHE 71 0.359 -17.706 23.180 561 HE1 PHE 71 HE2 PHE 71 3.102 -13.852 21.779 562 HE2 PHE 71 HE1 PHE 71 2.675 -17.482 23.983 563 HZ PHE 71 HZ PHE 71 4.048 -15.560 23.283 564 H SER 72 H SER 72 0.254 -17.756 18.281 565 HA SER 72 HA SER 72 0.442 -20.391 19.643 566 HB2 SER 72 HB2 SER 72 0.346 -21.440 17.363 567 HB3 SER 72 HB3 SER 72 -1.142 -20.592 17.782 568 HG SER 72 HG SER 72 -0.739 -19.106 16.307 569 H PHE 73 H PHE 73 2.382 -21.524 19.362 570 HA PHE 73 HA PHE 73 4.738 -19.860 18.848 571 HB2 PHE 73 HB2 PHE 73 4.421 -22.637 20.072 572 HB3 PHE 73 HB3 PHE 73 5.967 -21.825 19.869 573 HD1 PHE 73 HD2 PHE 73 2.756 -21.763 21.726 574 HD2 PHE 73 HD1 PHE 73 6.647 -20.018 21.348 575 HE1 PHE 73 HE2 PHE 73 2.471 -20.643 23.899 576 HE2 PHE 73 HE1 PHE 73 6.350 -18.901 23.521 577 HZ PHE 73 HZ PHE 73 4.267 -19.211 24.797 578 H GLY 74 H GLY 74 5.440 -19.781 16.789 579 HA2 GLY 74 HA2 GLY 74 5.315 -22.137 14.996 580 HA3 GLY 74 HA3 GLY 74 5.506 -20.462 14.502 581 H LEU 75 H LEU 75 7.266 -22.584 16.792 582 HA LEU 75 HA LEU 75 9.857 -21.598 15.977 583 HB2 LEU 75 HB2 LEU 75 8.963 -23.717 17.950 584 HB3 LEU 75 HB3 LEU 75 10.658 -23.512 17.568 585 HG LEU 75 HG LEU 75 10.177 -22.378 19.647 586 HD11 LEU 75 HD11 LEU 75 10.592 -20.334 17.451 587 HD12 LEU 75 HD12 LEU 75 11.838 -21.337 18.199 588 HD13 LEU 75 HD13 LEU 75 10.988 -20.131 19.161 589 HD21 LEU 75 HD21 LEU 75 7.774 -22.011 19.374 590 HD22 LEU 75 HD22 LEU 75 8.081 -20.748 18.181 591 HD23 LEU 75 HD23 LEU 75 8.595 -20.529 19.858 592 H GLU 76 H GLU 76 7.839 -24.218 14.971 593 HA GLU 76 HA GLU 76 9.774 -25.985 13.891 594 HB2 GLU 76 HB2 GLU 76 6.869 -25.522 13.093 595 HB3 GLU 76 HB3 GLU 76 7.857 -26.864 12.514 596 HG2 GLU 76 HG2 GLU 76 8.099 -27.704 14.808 597 HG3 GLU 76 HG3 GLU 76 7.175 -26.340 15.426 598 H HIS 77 H HIS 77 11.317 -25.051 12.700 599 HA HIS 77 HA HIS 77 11.192 -23.033 10.795 600 HB2 HIS 77 HB2 HIS 77 13.400 -23.995 9.978 601 HB3 HIS 77 HB3 HIS 77 13.309 -23.688 11.708 602 HD1 HIS 77 HD1 HIS 77 13.477 -26.507 9.225 603 HD2 HIS 77 HD2 HIS 77 13.530 -25.973 13.345 604 HE1 HIS 77 HE1 HIS 77 14.146 -28.725 10.177 605 HE2 HIS 77 HE2 HIS 77 14.268 -28.356 12.663 606 H HIS 78 H HIS 78 10.579 -22.892 8.718 607 HA HIS 78 HA HIS 78 10.069 -25.255 7.057 608 HB2 HIS 78 HB2 HIS 78 7.714 -24.642 6.651 609 HB3 HIS 78 HB3 HIS 78 7.977 -24.922 8.367 610 HD1 HIS 78 HD1 HIS 78 6.765 -22.401 5.993 611 HD2 HIS 78 HD2 HIS 78 8.045 -22.455 9.946 612 HE1 HIS 78 HE1 HIS 78 6.015 -20.220 6.971 613 HE2 HIS 78 HE2 HIS 78 6.657 -20.350 9.393 614 H HIS 79 H HIS 79 10.295 -24.842 4.896 615 HA HIS 79 HA HIS 79 10.886 -23.849 2.952 616 HB2 HIS 79 HB2 HIS 79 8.602 -22.818 3.302 617 HB3 HIS 79 HB3 HIS 79 9.378 -21.408 4.006 618 HD1 HIS 79 HD1 HIS 79 10.376 -19.692 2.412 619 HD2 HIS 79 HD2 HIS 79 8.999 -23.091 0.462 620 HE1 HIS 79 HE1 HIS 79 10.465 -19.136 -0.031 621 HE2 HIS 79 HE2 HIS 79 9.648 -21.213 -1.189 622 H HIS 80 H HIS 80 12.566 -23.376 5.496 623 HA HIS 80 HA HIS 80 13.921 -20.873 5.170 624 HB2 HIS 80 HB2 HIS 80 13.793 -22.010 7.365 625 HB3 HIS 80 HB3 HIS 80 14.751 -23.352 6.750 626 HD1 HIS 80 HD1 HIS 80 15.062 -19.679 7.615 627 HD2 HIS 80 HD2 HIS 80 17.509 -22.958 6.906 628 HE1 HIS 80 HE1 HIS 80 17.381 -18.919 8.191 629 HE2 HIS 80 HE2 HIS 80 18.855 -20.855 7.572 630 H HIS 81 H HIS 81 14.651 -20.710 3.089 631 HA HIS 81 HA HIS 81 16.097 -22.697 1.666 632 HB2 HIS 81 HB2 HIS 81 14.814 -20.888 0.540 633 HB3 HIS 81 HB3 HIS 81 15.956 -19.694 1.142 634 HD1 HIS 81 HD1 HIS 81 18.252 -19.552 -0.017 635 HD2 HIS 81 HD2 HIS 81 15.741 -22.431 -1.651 636 HE1 HIS 81 HE1 HIS 81 19.353 -20.264 -2.149 637 HE2 HIS 81 HE2 HIS 81 17.724 -21.854 -3.209 638 H HIS 82 H HIS 82 18.233 -23.171 1.626 639 HA HIS 82 HA HIS 82 19.987 -22.106 3.641 640 HB2 HIS 82 HB2 HIS 82 20.579 -24.069 1.387 641 HB3 HIS 82 HB3 HIS 82 21.611 -23.768 2.783 642 HD1 HIS 82 HD1 HIS 82 19.893 -26.459 1.810 643 HD2 HIS 82 HD2 HIS 82 19.339 -24.039 5.144 644 HE1 HIS 82 HE1 HIS 82 18.704 -27.891 3.491 645 HE2 HIS 82 HE2 HIS 82 18.524 -26.458 5.546 646 H1 MET 1 H MET 1 7.352 -12.857 11.938 647 HA MET 1 HA MET 1 8.754 -12.991 9.898 648 HB2 MET 1 HB2 MET 1 7.318 -14.654 8.638 649 HB3 MET 1 HB3 MET 1 7.485 -14.975 10.356 650 HG2 MET 1 HG2 MET 1 5.247 -14.152 10.790 651 HG3 MET 1 HG3 MET 1 5.071 -13.622 9.118 652 HE1 MET 1 HE1 MET 1 4.725 -15.254 7.061 653 HE2 MET 1 HE2 MET 1 4.824 -17.013 7.175 654 HE3 MET 1 HE3 MET 1 6.269 -16.031 7.415 655 H ASP 2 H ASP 2 5.555 -11.519 9.451 656 HA ASP 2 HA ASP 2 5.700 -11.165 6.627 657 HB2 ASP 2 HB2 ASP 2 3.593 -11.270 8.109 658 HB3 ASP 2 HB3 ASP 2 3.911 -9.596 8.534 659 H LYS 3 H LYS 3 6.417 -9.048 9.388 660 HA LYS 3 HA LYS 3 6.833 -6.647 7.899 661 HB2 LYS 3 HB2 LYS 3 7.696 -7.395 10.708 662 HB3 LYS 3 HB3 LYS 3 7.858 -5.775 10.025 663 HG2 LYS 3 HG2 LYS 3 5.404 -5.654 9.739 664 HG3 LYS 3 HG3 LYS 3 5.247 -7.274 10.433 665 HD2 LYS 3 HD2 LYS 3 6.204 -6.450 12.563 666 HD3 LYS 3 HD3 LYS 3 6.368 -4.833 11.870 667 HE2 LYS 3 HE2 LYS 3 3.930 -4.660 11.653 668 HE3 LYS 3 HE3 LYS 3 3.739 -6.308 12.259 669 HZ1 LYS 3 HZ1 LYS 3 4.795 -3.971 13.753 670 HZ2 LYS 3 HZ2 LYS 3 4.796 -5.559 14.340 671 HZ3 LYS 3 HZ3 LYS 3 3.332 -4.779 14.017 672 H LYS 4 H LYS 4 8.979 -9.293 8.769 673 HA LYS 4 HA LYS 4 11.441 -8.046 7.992 674 HB2 LYS 4 HB2 LYS 4 10.667 -10.992 8.114 675 HB3 LYS 4 HB3 LYS 4 12.307 -10.418 7.814 676 HG2 LYS 4 HG2 LYS 4 10.686 -9.887 10.327 677 HG3 LYS 4 HG3 LYS 4 11.962 -11.098 10.167 678 HD2 LYS 4 HD2 LYS 4 13.650 -9.371 9.860 679 HD3 LYS 4 HD3 LYS 4 12.418 -8.112 9.758 680 HE2 LYS 4 HE2 LYS 4 12.989 -9.778 12.238 681 HE3 LYS 4 HE3 LYS 4 13.568 -8.136 11.956 682 HZ1 LYS 4 HZ1 LYS 4 11.573 -8.200 13.341 683 HZ2 LYS 4 HZ2 LYS 4 10.705 -8.921 12.084 684 HZ3 LYS 4 HZ3 LYS 4 11.308 -7.348 11.909 685 H ILE 5 H ILE 5 8.991 -9.919 6.261 686 HA ILE 5 HA ILE 5 10.269 -10.053 3.730 687 HB ILE 5 HB ILE 5 7.296 -10.143 4.415 688 HG12 ILE 5 HG12 ILE 5 9.254 -12.444 3.957 689 HG13 ILE 5 HG13 ILE 5 8.695 -11.907 5.536 690 HG21 ILE 5 HG21 ILE 5 8.667 -11.026 1.848 691 HG22 ILE 5 HG22 ILE 5 7.589 -9.638 2.027 692 HG23 ILE 5 HG23 ILE 5 6.963 -11.272 2.243 693 HD11 ILE 5 HD11 ILE 5 6.982 -13.117 3.360 694 HD12 ILE 5 HD12 ILE 5 6.403 -12.562 4.934 695 HD13 ILE 5 HD13 ILE 5 7.534 -13.911 4.835 696 H VAL 6 H VAL 6 7.722 -7.774 4.928 697 HA VAL 6 HA VAL 6 7.755 -6.144 2.569 698 HB VAL 6 HB VAL 6 6.257 -4.590 3.741 699 HG11 VAL 6 HG11 VAL 6 5.577 -7.493 4.358 700 HG12 VAL 6 HG12 VAL 6 5.257 -6.625 2.848 701 HG13 VAL 6 HG13 VAL 6 4.434 -6.140 4.331 702 HG21 VAL 6 HG21 VAL 6 5.652 -4.878 6.118 703 HG22 VAL 6 HG22 VAL 6 7.375 -4.542 5.947 704 HG23 VAL 6 HG23 VAL 6 6.827 -6.186 6.271 705 H GLY 7 H GLY 7 9.548 -6.029 5.604 706 HA2 GLY 7 HA2 GLY 7 10.770 -3.479 5.294 707 HA3 GLY 7 HA3 GLY 7 11.406 -4.822 6.233 708 H ALA 8 H ALA 8 11.678 -6.716 4.148 709 HA ALA 8 HA ALA 8 14.215 -6.028 3.038 710 HB1 ALA 8 HB1 ALA 8 12.396 -8.379 2.394 711 HB2 ALA 8 HB2 ALA 8 13.626 -8.336 3.656 712 HB3 ALA 8 HB3 ALA 8 14.106 -8.247 1.961 713 H ASN 9 H ASN 9 10.990 -6.510 1.514 714 HA ASN 9 HA ASN 9 11.955 -6.004 -1.140 715 HB2 ASN 9 HB2 ASN 9 9.623 -6.302 -1.858 716 HB3 ASN 9 HB3 ASN 9 10.122 -7.578 -0.761 717 HD21 ASN 9 HD21 ASN 9 8.004 -8.109 -0.169 718 HD22 ASN 9 HD22 ASN 9 7.011 -7.075 0.791 719 H ALA 10 H ALA 10 10.725 -3.910 1.358 720 HA ALA 10 HA ALA 10 9.952 -1.680 -0.256 721 HB1 ALA 10 HB1 ALA 10 10.915 -1.726 2.624 722 HB2 ALA 10 HB2 ALA 10 9.245 -1.931 2.095 723 HB3 ALA 10 HB3 ALA 10 10.067 -0.389 1.837 724 H GLY 11 H GLY 11 13.036 -2.926 0.839 725 HA2 GLY 11 HA2 GLY 11 14.715 -0.691 0.315 726 HA3 GLY 11 HA3 GLY 11 15.210 -2.379 0.329 727 H LYS 12 H LYS 12 13.419 -3.236 -1.789 728 HA LYS 12 HA LYS 12 14.846 -2.561 -4.176 729 HB2 LYS 12 HB2 LYS 12 12.136 -3.919 -3.864 730 HB3 LYS 12 HB3 LYS 12 13.057 -3.843 -5.361 731 HG2 LYS 12 HG2 LYS 12 14.845 -5.208 -4.301 732 HG3 LYS 12 HG3 LYS 12 13.855 -5.328 -2.836 733 HD2 LYS 12 HD2 LYS 12 12.076 -6.464 -4.101 734 HD3 LYS 12 HD3 LYS 12 12.984 -6.274 -5.601 735 HE2 LYS 12 HE2 LYS 12 14.767 -7.741 -4.652 736 HE3 LYS 12 HE3 LYS 12 13.765 -7.987 -3.219 737 HZ1 LYS 12 HZ1 LYS 12 13.053 -8.728 -6.005 738 HZ2 LYS 12 HZ2 LYS 12 12.050 -8.931 -4.660 739 HZ3 LYS 12 HZ3 LYS 12 13.498 -9.799 -4.770 740 H VAL 13 H VAL 13 11.624 -1.716 -2.942 741 HA VAL 13 HA VAL 13 10.711 -0.125 -5.100 742 HB VAL 13 HB VAL 13 9.853 -0.124 -2.167 743 HG11 VAL 13 HG11 VAL 13 9.063 1.941 -3.241 744 HG12 VAL 13 HG12 VAL 13 7.703 0.858 -2.944 745 HG13 VAL 13 HG13 VAL 13 8.370 1.012 -4.571 746 HG21 VAL 13 HG21 VAL 13 9.620 -2.338 -3.221 747 HG22 VAL 13 HG22 VAL 13 8.704 -1.630 -4.553 748 HG23 VAL 13 HG23 VAL 13 8.027 -1.633 -2.924 749 H TRP 14 H TRP 14 12.455 0.703 -2.133 750 HA TRP 14 HA TRP 14 12.526 3.539 -2.550 751 HB2 TRP 14 HB2 TRP 14 12.822 2.471 -0.299 752 HB3 TRP 14 HB3 TRP 14 14.376 1.827 -0.820 753 HD1 TRP 14 HD1 TRP 14 12.657 5.197 -0.015 754 HE1 TRP 14 HE1 TRP 14 14.481 6.930 0.493 755 HE3 TRP 14 HE3 TRP 14 16.750 2.388 -1.127 756 HZ2 TRP 14 HZ2 TRP 14 17.305 7.100 0.427 757 HZ3 TRP 14 HZ3 TRP 14 18.998 3.393 -0.890 758 HH2 TRP 14 HH2 TRP 14 19.263 5.708 -0.126 759 H HIS 15 H HIS 15 14.678 0.856 -3.428 760 HA HIS 15 HA HIS 15 16.799 2.386 -4.534 761 HB2 HIS 15 HB2 HIS 15 17.106 0.012 -4.019 762 HB3 HIS 15 HB3 HIS 15 15.893 -0.439 -5.214 763 HD1 HIS 15 HD1 HIS 15 18.977 1.800 -5.449 764 HD2 HIS 15 HD2 HIS 15 17.248 -1.479 -7.336 765 HE1 HIS 15 HE1 HIS 15 20.430 1.330 -7.439 766 HE2 HIS 15 HE2 HIS 15 19.362 -0.649 -8.570 767 H ALA 16 H ALA 16 13.694 1.356 -5.860 768 HA ALA 16 HA ALA 16 14.024 2.014 -8.568 769 HB1 ALA 16 HB1 ALA 16 11.507 2.283 -6.895 770 HB2 ALA 16 HB2 ALA 16 12.057 0.813 -7.700 771 HB3 ALA 16 HB3 ALA 16 11.577 2.213 -8.661 772 H LEU 17 H LEU 17 13.409 4.137 -5.785 773 HA LEU 17 HA LEU 17 13.008 6.609 -7.131 774 HB2 LEU 17 HB2 LEU 17 14.343 6.162 -4.435 775 HB3 LEU 17 HB3 LEU 17 13.682 7.688 -5.010 776 HG LEU 17 HG LEU 17 12.078 5.182 -4.357 777 HD11 LEU 17 HD11 LEU 17 12.274 7.818 -2.866 778 HD12 LEU 17 HD12 LEU 17 12.982 6.280 -2.366 779 HD13 LEU 17 HD13 LEU 17 11.234 6.454 -2.450 780 HD21 LEU 17 HD21 LEU 17 11.007 6.402 -6.177 781 HD22 LEU 17 HD22 LEU 17 11.107 7.914 -5.270 782 HD23 LEU 17 HD23 LEU 17 10.078 6.601 -4.691 783 H ASN 18 H ASN 18 15.984 5.094 -5.871 784 HA ASN 18 HA ASN 18 17.877 7.032 -6.600 785 HB2 ASN 18 HB2 ASN 18 18.416 4.036 -6.597 786 HB3 ASN 18 HB3 ASN 18 19.564 5.326 -6.263 787 HD21 ASN 18 HD21 ASN 18 17.589 6.728 -4.474 788 HD22 ASN 18 HD22 ASN 18 17.587 5.791 -3.029 789 H GLU 19 H GLU 19 16.284 4.578 -8.498 790 HA GLU 19 HA GLU 19 17.958 4.816 -10.856 791 HB2 GLU 19 HB2 GLU 19 16.815 2.697 -10.217 792 HB3 GLU 19 HB3 GLU 19 15.253 3.470 -10.462 793 HG2 GLU 19 HG2 GLU 19 15.772 3.753 -12.866 794 HG3 GLU 19 HG3 GLU 19 17.339 2.981 -12.618 795 H ALA 20 H ALA 20 14.669 5.847 -9.892 796 HA ALA 20 HA ALA 20 14.636 8.143 -11.643 797 HB1 ALA 20 HB1 ALA 20 12.731 5.856 -12.309 798 HB2 ALA 20 HB2 ALA 20 14.101 6.373 -13.294 799 HB3 ALA 20 HB3 ALA 20 12.733 7.459 -13.055 800 H ASP 21 H ASP 21 12.823 9.534 -11.269 801 HA ASP 21 HA ASP 21 11.189 8.912 -8.865 802 HB2 ASP 21 HB2 ASP 21 11.085 11.321 -8.383 803 HB3 ASP 21 HB3 ASP 21 12.758 10.784 -8.441 804 H GLY 22 H GLY 22 8.973 9.779 -8.880 805 HA2 GLY 22 HA2 GLY 22 6.905 10.175 -9.810 806 HA3 GLY 22 HA3 GLY 22 7.718 10.873 -11.197 807 H ILE 23 H ILE 23 7.964 7.556 -9.990 808 HA ILE 23 HA ILE 23 6.896 6.531 -12.540 809 HB ILE 23 HB ILE 23 9.186 5.780 -11.990 810 HG12 ILE 23 HG12 ILE 23 7.210 3.458 -11.806 811 HG13 ILE 23 HG13 ILE 23 7.602 4.311 -13.295 812 HG21 ILE 23 HG21 ILE 23 9.105 5.825 -9.538 813 HG22 ILE 23 HG22 ILE 23 9.661 4.252 -10.113 814 HG23 ILE 23 HG23 ILE 23 8.005 4.443 -9.531 815 HD11 ILE 23 HD11 ILE 23 9.925 3.550 -13.105 816 HD12 ILE 23 HD12 ILE 23 8.776 2.214 -13.159 817 HD13 ILE 23 HD13 ILE 23 9.509 2.678 -11.626 818 H SER 24 H SER 24 5.125 5.243 -12.615 819 HA SER 24 HA SER 24 3.273 5.225 -10.426 820 HB2 SER 24 HB2 SER 24 3.129 3.826 -13.129 821 HB3 SER 24 HB3 SER 24 1.780 4.013 -12.004 822 HG SER 24 HG SER 24 2.139 6.338 -12.232 823 H ILE 25 H ILE 25 2.228 3.300 -9.533 824 HA ILE 25 HA ILE 25 4.053 1.583 -8.298 825 HB ILE 25 HB ILE 25 1.036 1.267 -8.513 826 HG12 ILE 25 HG12 ILE 25 2.748 2.565 -6.337 827 HG13 ILE 25 HG13 ILE 25 1.726 3.416 -7.492 828 HG21 ILE 25 HG21 ILE 25 2.932 -0.079 -6.553 829 HG22 ILE 25 HG22 ILE 25 2.028 -0.871 -7.846 830 HG23 ILE 25 HG23 ILE 25 1.171 -0.147 -6.486 831 HD11 ILE 25 HD11 ILE 25 0.684 3.294 -5.307 832 HD12 ILE 25 HD12 ILE 25 0.760 1.537 -5.331 833 HD13 ILE 25 HD13 ILE 25 -0.262 2.394 -6.488 834 HA PRO 26 HA PRO 26 2.479 -2.190 -11.038 835 HB2 PRO 26 HB2 PRO 26 1.442 -1.696 -13.542 836 HB3 PRO 26 HB3 PRO 26 0.439 -1.797 -12.087 837 HG2 PRO 26 HG2 PRO 26 1.550 0.664 -13.447 838 HG3 PRO 26 HG3 PRO 26 -0.113 0.350 -12.900 839 HD2 PRO 26 HD2 PRO 26 1.559 1.822 -11.390 840 HD3 PRO 26 HD3 PRO 26 0.435 0.672 -10.625 841 H GLU 27 H GLU 27 3.977 0.616 -12.484 842 HA GLU 27 HA GLU 27 5.494 -0.769 -14.512 843 HB2 GLU 27 HB2 GLU 27 5.920 2.058 -13.470 844 HB3 GLU 27 HB3 GLU 27 6.446 1.403 -15.022 845 HG2 GLU 27 HG2 GLU 27 3.597 1.915 -14.126 846 HG3 GLU 27 HG3 GLU 27 4.505 2.847 -15.312 847 H LEU 28 H LEU 28 6.278 0.704 -11.329 848 HA LEU 28 HA LEU 28 9.001 -0.242 -11.364 849 HB2 LEU 28 HB2 LEU 28 9.323 0.873 -9.359 850 HB3 LEU 28 HB3 LEU 28 8.023 1.787 -10.075 851 HG LEU 28 HG LEU 28 6.606 -0.012 -8.503 852 HD11 LEU 28 HD11 LEU 28 7.656 -0.080 -6.285 853 HD12 LEU 28 HD12 LEU 28 9.119 0.656 -6.939 854 HD13 LEU 28 HD13 LEU 28 8.615 -0.948 -7.483 855 HD21 LEU 28 HD21 LEU 28 6.150 2.392 -8.624 856 HD22 LEU 28 HD22 LEU 28 7.577 2.738 -7.646 857 HD23 LEU 28 HD23 LEU 28 6.217 1.854 -6.946 858 H ALA 29 H ALA 29 5.952 -1.539 -10.254 859 HA ALA 29 HA ALA 29 6.659 -3.513 -8.430 860 HB1 ALA 29 HB1 ALA 29 4.416 -3.659 -10.476 861 HB2 ALA 29 HB2 ALA 29 4.333 -2.846 -8.912 862 HB3 ALA 29 HB3 ALA 29 4.530 -4.598 -8.982 863 H ARG 30 H ARG 30 6.471 -3.806 -11.974 864 HA ARG 30 HA ARG 30 7.043 -6.577 -12.155 865 HB2 ARG 30 HB2 ARG 30 7.356 -6.160 -14.541 866 HB3 ARG 30 HB3 ARG 30 5.976 -5.244 -13.940 867 HG2 ARG 30 HG2 ARG 30 7.577 -3.238 -13.757 868 HG3 ARG 30 HG3 ARG 30 8.717 -4.198 -14.701 869 HD2 ARG 30 HD2 ARG 30 7.490 -2.691 -16.166 870 HD3 ARG 30 HD3 ARG 30 7.033 -4.361 -16.522 871 HE ARG 30 HE ARG 30 5.233 -3.274 -14.648 872 HH11 ARG 30 HH11 ARG 30 6.010 -2.949 -18.003 873 HH12 ARG 30 HH12 ARG 30 4.408 -2.462 -18.418 874 HH21 ARG 30 HH21 ARG 30 3.218 -2.661 -15.209 875 HH22 ARG 30 HH22 ARG 30 2.854 -2.285 -16.852 876 H LYS 31 H LYS 31 9.178 -3.781 -11.880 877 HA LYS 31 HA LYS 31 11.607 -5.162 -12.666 878 HB2 LYS 31 HB2 LYS 31 11.202 -2.469 -11.293 879 HB3 LYS 31 HB3 LYS 31 12.747 -3.070 -11.889 880 HG2 LYS 31 HG2 LYS 31 11.812 -3.093 -14.204 881 HG3 LYS 31 HG3 LYS 31 10.310 -2.398 -13.582 882 HD2 LYS 31 HD2 LYS 31 13.066 -1.101 -13.412 883 HD3 LYS 31 HD3 LYS 31 11.813 -0.670 -14.577 884 HE2 LYS 31 HE2 LYS 31 10.371 0.154 -12.795 885 HE3 LYS 31 HE3 LYS 31 11.484 -0.434 -11.561 886 HZ1 LYS 31 HZ1 LYS 31 13.130 1.135 -12.330 887 HZ2 LYS 31 HZ2 LYS 31 11.700 1.934 -11.916 888 HZ3 LYS 31 HZ3 LYS 31 12.087 1.689 -13.539 889 H VAL 32 H VAL 32 10.072 -4.176 -9.609 890 HA VAL 32 HA VAL 32 12.208 -5.240 -7.941 891 HB VAL 32 HB VAL 32 10.877 -4.511 -6.024 892 HG11 VAL 32 HG11 VAL 32 10.844 -2.409 -8.229 893 HG12 VAL 32 HG12 VAL 32 12.209 -2.793 -7.176 894 HG13 VAL 32 HG13 VAL 32 10.746 -2.083 -6.495 895 HG21 VAL 32 HG21 VAL 32 8.646 -3.452 -6.267 896 HG22 VAL 32 HG22 VAL 32 8.621 -5.139 -6.784 897 HG23 VAL 32 HG23 VAL 32 8.647 -3.852 -7.989 898 H ASN 33 H ASN 33 9.726 -6.639 -9.626 899 HA ASN 33 HA ASN 33 8.911 -8.730 -9.850 900 HB2 ASN 33 HB2 ASN 33 11.032 -9.460 -7.788 901 HB3 ASN 33 HB3 ASN 33 10.114 -10.634 -8.729 902 HD21 ASN 33 HD21 ASN 33 13.017 -10.153 -8.666 903 HD22 ASN 33 HD22 ASN 33 13.472 -9.804 -10.294 904 H LEU 34 H LEU 34 7.726 -6.916 -7.875 905 HA LEU 34 HA LEU 34 6.295 -8.850 -6.128 906 HB2 LEU 34 HB2 LEU 34 6.329 -5.807 -5.959 907 HB3 LEU 34 HB3 LEU 34 5.549 -6.899 -4.827 908 HG LEU 34 HG LEU 34 8.561 -6.687 -5.247 909 HD11 LEU 34 HD11 LEU 34 6.864 -5.611 -2.966 910 HD12 LEU 34 HD12 LEU 34 7.642 -4.650 -4.226 911 HD13 LEU 34 HD13 LEU 34 8.627 -5.552 -3.079 912 HD21 LEU 34 HD21 LEU 34 6.987 -8.245 -3.162 913 HD22 LEU 34 HD22 LEU 34 8.746 -8.082 -3.222 914 HD23 LEU 34 HD23 LEU 34 7.897 -8.931 -4.510 915 H SER 35 H SER 35 3.963 -8.781 -6.095 916 HA SER 35 HA SER 35 2.478 -8.007 -8.390 917 HB2 SER 35 HB2 SER 35 1.567 -9.676 -6.855 918 HB3 SER 35 HB3 SER 35 1.539 -8.510 -5.531 919 HG SER 35 HG SER 35 -0.492 -8.963 -6.818 920 H VAL 36 H VAL 36 0.995 -6.220 -8.681 921 HA VAL 36 HA VAL 36 1.861 -3.662 -8.017 922 HB VAL 36 HB VAL 36 -1.007 -4.478 -8.648 923 HG11 VAL 36 HG11 VAL 36 -1.289 -2.178 -9.539 924 HG12 VAL 36 HG12 VAL 36 0.332 -1.763 -8.976 925 HG13 VAL 36 HG13 VAL 36 -0.930 -2.171 -7.809 926 HG21 VAL 36 HG21 VAL 36 0.549 -5.327 -10.348 927 HG22 VAL 36 HG22 VAL 36 1.231 -3.713 -10.558 928 HG23 VAL 36 HG23 VAL 36 -0.444 -4.027 -11.014 929 H GLU 37 H GLU 37 -0.618 -5.608 -6.387 930 HA GLU 37 HA GLU 37 -1.411 -3.838 -4.339 931 HB2 GLU 37 HB2 GLU 37 -1.278 -6.877 -4.162 932 HB3 GLU 37 HB3 GLU 37 -2.305 -5.817 -3.201 933 HG2 GLU 37 HG2 GLU 37 -3.536 -5.185 -5.264 934 HG3 GLU 37 HG3 GLU 37 -2.520 -6.288 -6.190 935 H SER 38 H SER 38 1.100 -6.387 -4.297 936 HA SER 38 HA SER 38 1.965 -6.039 -1.601 937 HB2 SER 38 HB2 SER 38 2.400 -8.130 -2.828 938 HB3 SER 38 HB3 SER 38 3.440 -7.274 -3.967 939 HG SER 38 HG SER 38 4.974 -7.061 -2.429 940 H THR 39 H THR 39 2.875 -4.519 -4.606 941 HA THR 39 HA THR 39 5.271 -3.219 -3.707 942 HB THR 39 HB THR 39 3.528 -2.705 -6.155 943 HG1 THR 39 HG1 THR 39 4.497 -4.521 -6.673 944 HG21 THR 39 HG21 THR 39 6.309 -1.632 -5.562 945 HG22 THR 39 HG22 THR 39 4.831 -0.672 -5.655 946 HG23 THR 39 HG23 THR 39 5.454 -1.477 -7.098 947 H ALA 40 H ALA 40 1.885 -2.185 -4.214 948 HA ALA 40 HA ALA 40 2.132 0.530 -3.449 949 HB1 ALA 40 HB1 ALA 40 -0.286 -1.295 -3.290 950 HB2 ALA 40 HB2 ALA 40 0.201 -0.343 -4.693 951 HB3 ALA 40 HB3 ALA 40 -0.326 0.471 -3.218 952 H LEU 41 H LEU 41 1.506 -2.394 -1.586 953 HA LEU 41 HA LEU 41 1.170 -1.239 0.983 954 HB2 LEU 41 HB2 LEU 41 0.362 -3.442 0.552 955 HB3 LEU 41 HB3 LEU 41 1.904 -3.991 -0.052 956 HG LEU 41 HG LEU 41 1.078 -4.922 2.205 957 HD11 LEU 41 HD11 LEU 41 3.303 -5.089 3.135 958 HD12 LEU 41 HD12 LEU 41 3.864 -3.767 2.109 959 HD13 LEU 41 HD13 LEU 41 3.330 -5.286 1.384 960 HD21 LEU 41 HD21 LEU 41 1.602 -3.654 4.225 961 HD22 LEU 41 HD22 LEU 41 0.363 -2.841 3.268 962 HD23 LEU 41 HD23 LEU 41 2.027 -2.243 3.253 963 H ALA 42 H ALA 42 4.065 -2.489 -0.720 964 HA ALA 42 HA ALA 42 5.968 -1.972 1.326 965 HB1 ALA 42 HB1 ALA 42 6.420 -3.500 -0.551 966 HB2 ALA 42 HB2 ALA 42 7.670 -2.260 -0.431 967 HB3 ALA 42 HB3 ALA 42 6.422 -2.138 -1.674 968 H VAL 43 H VAL 43 4.759 0.053 -1.339 969 HA VAL 43 HA VAL 43 6.297 2.371 -1.018 970 HB VAL 43 HB VAL 43 3.460 1.921 -2.043 971 HG11 VAL 43 HG11 VAL 43 4.974 4.549 -2.125 972 HG12 VAL 43 HG12 VAL 43 3.490 4.225 -1.224 973 HG13 VAL 43 HG13 VAL 43 3.474 4.209 -2.989 974 HG21 VAL 43 HG21 VAL 43 6.019 2.597 -3.546 975 HG22 VAL 43 HG22 VAL 43 4.435 2.319 -4.274 976 HG23 VAL 43 HG23 VAL 43 5.270 0.999 -3.454 977 H GLY 44 H GLY 44 3.200 1.418 0.507 978 HA2 GLY 44 HA2 GLY 44 2.860 3.660 2.213 979 HA3 GLY 44 HA3 GLY 44 2.151 2.067 2.448 980 H TRP 45 H TRP 45 4.790 0.742 2.537 981 HA TRP 45 HA TRP 45 5.410 0.986 5.330 982 HB2 TRP 45 HB2 TRP 45 5.474 -1.147 3.898 983 HB3 TRP 45 HB3 TRP 45 6.993 -0.560 3.232 984 HD1 TRP 45 HD1 TRP 45 9.143 -1.200 4.602 985 HE1 TRP 45 HE1 TRP 45 9.569 -2.296 6.885 986 HE3 TRP 45 HE3 TRP 45 4.363 -1.198 6.407 987 HZ2 TRP 45 HZ2 TRP 45 8.086 -3.060 9.166 988 HZ3 TRP 45 HZ3 TRP 45 3.942 -2.123 8.658 989 HH2 TRP 45 HH2 TRP 45 5.770 -3.035 10.010 990 H LEU 46 H LEU 46 6.947 2.124 2.338 991 HA LEU 46 HA LEU 46 9.144 3.468 3.638 992 HB2 LEU 46 HB2 LEU 46 7.917 3.828 0.883 993 HB3 LEU 46 HB3 LEU 46 9.363 4.673 1.424 994 HG LEU 46 HG LEU 46 9.095 1.652 1.119 995 HD11 LEU 46 HD11 LEU 46 10.632 1.885 -0.776 996 HD12 LEU 46 HD12 LEU 46 10.607 3.641 -0.597 997 HD13 LEU 46 HD13 LEU 46 9.131 2.778 -1.044 998 HD21 LEU 46 HD21 LEU 46 10.639 2.243 2.940 999 HD22 LEU 46 HD22 LEU 46 11.543 3.300 1.852 1000 HD23 LEU 46 HD23 LEU 46 11.507 1.557 1.567 1001 H ALA 47 H ALA 47 5.874 4.421 2.662 1002 HA ALA 47 HA ALA 47 6.009 7.196 3.062 1003 HB1 ALA 47 HB1 ALA 47 4.217 6.082 1.792 1004 HB2 ALA 47 HB2 ALA 47 3.554 7.146 3.035 1005 HB3 ALA 47 HB3 ALA 47 3.576 5.397 3.287 1006 H ARG 48 H ARG 48 5.249 4.609 5.409 1007 HA ARG 48 HA ARG 48 4.556 6.257 7.622 1008 HB2 ARG 48 HB2 ARG 48 4.925 4.327 9.011 1009 HB3 ARG 48 HB3 ARG 48 4.261 3.741 7.489 1010 HG2 ARG 48 HG2 ARG 48 6.498 3.048 6.758 1011 HG3 ARG 48 HG3 ARG 48 7.207 3.692 8.233 1012 HD2 ARG 48 HD2 ARG 48 5.765 2.021 9.509 1013 HD3 ARG 48 HD3 ARG 48 5.384 1.288 7.949 1014 HE ARG 48 HE ARG 48 7.771 0.831 7.673 1015 HH11 ARG 48 HH11 ARG 48 6.722 1.534 10.916 1016 HH12 ARG 48 HH12 ARG 48 8.091 0.762 11.628 1017 HH21 ARG 48 HH21 ARG 48 9.509 -0.131 8.620 1018 HH22 ARG 48 HH22 ARG 48 9.649 -0.177 10.341 1019 H GLU 49 H GLU 49 7.641 5.376 6.246 1020 HA GLU 49 HA GLU 49 9.282 6.416 8.411 1021 HB2 GLU 49 HB2 GLU 49 10.021 5.384 5.637 1022 HB3 GLU 49 HB3 GLU 49 11.166 5.745 6.926 1023 HG2 GLU 49 HG2 GLU 49 9.029 3.592 7.058 1024 HG3 GLU 49 HG3 GLU 49 10.711 3.316 6.615 1025 H ASN 50 H ASN 50 7.706 7.691 5.676 1026 HA ASN 50 HA ASN 50 7.774 9.531 4.383 1027 HB2 ASN 50 HB2 ASN 50 7.604 10.617 6.645 1028 HB3 ASN 50 HB3 ASN 50 9.352 10.804 6.665 1029 HD21 ASN 50 HD21 ASN 50 10.269 12.484 5.464 1030 HD22 ASN 50 HD22 ASN 50 9.327 13.669 4.634 1031 H LYS 51 H LYS 51 9.614 7.604 3.764 1032 HA LYS 51 HA LYS 51 12.026 8.995 2.824 1033 HB2 LYS 51 HB2 LYS 51 11.205 6.073 2.576 1034 HB3 LYS 51 HB3 LYS 51 12.756 6.744 2.061 1035 HG2 LYS 51 HG2 LYS 51 13.234 7.396 4.417 1036 HG3 LYS 51 HG3 LYS 51 11.703 6.676 4.911 1037 HD2 LYS 51 HD2 LYS 51 13.476 5.109 5.408 1038 HD3 LYS 51 HD3 LYS 51 12.528 4.459 4.067 1039 HE2 LYS 51 HE2 LYS 51 14.262 5.313 2.481 1040 HE3 LYS 51 HE3 LYS 51 15.214 5.873 3.857 1041 HZ1 LYS 51 HZ1 LYS 51 15.385 3.595 4.612 1042 HZ2 LYS 51 HZ2 LYS 51 15.981 3.746 3.038 1043 HZ3 LYS 51 HZ3 LYS 51 14.460 3.057 3.305 1044 H VAL 52 H VAL 52 8.896 8.437 1.723 1045 HA VAL 52 HA VAL 52 9.628 9.029 -1.085 1046 HB VAL 52 HB VAL 52 7.537 7.858 -1.839 1047 HG11 VAL 52 HG11 VAL 52 9.473 6.054 -0.343 1048 HG12 VAL 52 HG12 VAL 52 9.680 6.672 -1.982 1049 HG13 VAL 52 HG13 VAL 52 8.371 5.546 -1.628 1050 HG21 VAL 52 HG21 VAL 52 6.223 7.942 0.250 1051 HG22 VAL 52 HG22 VAL 52 7.354 6.832 1.027 1052 HG23 VAL 52 HG23 VAL 52 6.364 6.278 -0.325 1053 H VAL 53 H VAL 53 8.464 10.622 -2.108 1054 HA VAL 53 HA VAL 53 6.310 12.050 -0.661 1055 HB VAL 53 HB VAL 53 7.945 12.936 -3.099 1056 HG11 VAL 53 HG11 VAL 53 5.658 13.836 -3.273 1057 HG12 VAL 53 HG12 VAL 53 6.793 15.132 -2.898 1058 HG13 VAL 53 HG13 VAL 53 5.759 14.473 -1.628 1059 HG21 VAL 53 HG21 VAL 53 8.890 14.669 -1.598 1060 HG22 VAL 53 HG22 VAL 53 9.253 13.044 -1.018 1061 HG23 VAL 53 HG23 VAL 53 7.983 13.993 -0.243 1062 H ILE 54 H ILE 54 4.439 10.968 -1.113 1063 HA ILE 54 HA ILE 54 3.884 9.887 -3.780 1064 HB ILE 54 HB ILE 54 2.235 9.767 -1.213 1065 HG12 ILE 54 HG12 ILE 54 3.993 7.610 -2.484 1066 HG13 ILE 54 HG13 ILE 54 4.448 8.574 -1.082 1067 HG21 ILE 54 HG21 ILE 54 0.921 7.989 -2.341 1068 HG22 ILE 54 HG22 ILE 54 1.831 8.262 -3.828 1069 HG23 ILE 54 HG23 ILE 54 0.790 9.533 -3.188 1070 HD11 ILE 54 HD11 ILE 54 2.165 6.606 -1.223 1071 HD12 ILE 54 HD12 ILE 54 2.592 7.586 0.183 1072 HD13 ILE 54 HD13 ILE 54 3.719 6.374 -0.423 1073 H GLU 55 H GLU 55 2.941 11.149 -5.252 1074 HA GLU 55 HA GLU 55 1.079 13.298 -4.412 1075 HB2 GLU 55 HB2 GLU 55 3.451 13.758 -5.674 1076 HB3 GLU 55 HB3 GLU 55 2.458 13.468 -7.092 1077 HG2 GLU 55 HG2 GLU 55 1.987 15.579 -4.966 1078 HG3 GLU 55 HG3 GLU 55 2.648 15.861 -6.572 1079 H ARG 56 H ARG 56 -0.993 12.946 -5.029 1080 HA ARG 56 HA ARG 56 -1.625 10.894 -7.028 1081 HB2 ARG 56 HB2 ARG 56 -3.516 12.532 -5.287 1082 HB3 ARG 56 HB3 ARG 56 -3.967 11.173 -6.318 1083 HG2 ARG 56 HG2 ARG 56 -2.491 9.698 -4.931 1084 HG3 ARG 56 HG3 ARG 56 -2.196 11.072 -3.857 1085 HD2 ARG 56 HD2 ARG 56 -4.760 11.177 -3.580 1086 HD3 ARG 56 HD3 ARG 56 -4.788 9.580 -4.336 1087 HE ARG 56 HE ARG 56 -3.104 10.015 -1.964 1088 HH11 ARG 56 HH11 ARG 56 -5.859 8.441 -3.326 1089 HH12 ARG 56 HH12 ARG 56 -6.126 7.477 -1.919 1090 HH21 ARG 56 HH21 ARG 56 -3.470 8.802 -0.185 1091 HH22 ARG 56 HH22 ARG 56 -4.783 7.670 -0.160 1092 H LYS 57 H LYS 57 -1.207 11.701 -8.974 1093 HA LYS 57 HA LYS 57 -2.434 14.263 -9.825 1094 HB2 LYS 57 HB2 LYS 57 -0.508 14.189 -11.593 1095 HB3 LYS 57 HB3 LYS 57 -0.144 14.695 -9.950 1096 HG2 LYS 57 HG2 LYS 57 0.662 12.347 -9.479 1097 HG3 LYS 57 HG3 LYS 57 0.466 11.993 -11.200 1098 HD2 LYS 57 HD2 LYS 57 2.278 14.151 -10.030 1099 HD3 LYS 57 HD3 LYS 57 2.812 12.570 -10.610 1100 HE2 LYS 57 HE2 LYS 57 1.511 14.731 -12.307 1101 HE3 LYS 57 HE3 LYS 57 3.227 14.326 -12.282 1102 HZ1 LYS 57 HZ1 LYS 57 2.660 12.101 -13.075 1103 HZ2 LYS 57 HZ2 LYS 57 2.150 13.301 -14.156 1104 HZ3 LYS 57 HZ3 LYS 57 1.025 12.535 -13.154 1105 H ASN 58 H ASN 58 -3.991 14.062 -11.237 1106 HA ASN 58 HA ASN 58 -5.585 13.228 -12.594 1107 HB2 ASN 58 HB2 ASN 58 -3.295 11.668 -13.877 1108 HB3 ASN 58 HB3 ASN 58 -4.854 12.018 -14.625 1109 HD21 ASN 58 HD21 ASN 58 -2.111 12.764 -15.454 1110 HD22 ASN 58 HD22 ASN 58 -2.133 14.483 -15.613 1111 H GLY 59 H GLY 59 -5.059 11.844 -10.070 1112 HA2 GLY 59 HA2 GLY 59 -6.070 10.099 -8.939 1113 HA3 GLY 59 HA3 GLY 59 -6.621 9.434 -10.464 1114 H LEU 60 H LEU 60 -3.372 9.868 -10.881 1115 HA LEU 60 HA LEU 60 -2.799 7.031 -10.420 1116 HB2 LEU 60 HB2 LEU 60 -1.370 9.193 -12.004 1117 HB3 LEU 60 HB3 LEU 60 -0.573 7.678 -11.622 1118 HG LEU 60 HG LEU 60 -2.418 6.452 -12.832 1119 HD11 LEU 60 HD11 LEU 60 -4.194 8.120 -12.720 1120 HD12 LEU 60 HD12 LEU 60 -3.871 7.640 -14.384 1121 HD13 LEU 60 HD13 LEU 60 -3.278 9.193 -13.783 1122 HD21 LEU 60 HD21 LEU 60 -0.258 6.873 -13.906 1123 HD22 LEU 60 HD22 LEU 60 -0.840 8.427 -14.507 1124 HD23 LEU 60 HD23 LEU 60 -1.571 6.927 -15.082 1125 H ILE 61 H ILE 61 -1.417 6.258 -8.927 1126 HA ILE 61 HA ILE 61 -0.324 8.040 -6.884 1127 HB ILE 61 HB ILE 61 -0.120 4.994 -6.993 1128 HG12 ILE 61 HG12 ILE 61 -2.523 5.671 -7.134 1129 HG13 ILE 61 HG13 ILE 61 -2.159 4.822 -5.639 1130 HG21 ILE 61 HG21 ILE 61 1.416 6.036 -5.394 1131 HG22 ILE 61 HG22 ILE 61 0.156 5.155 -4.532 1132 HG23 ILE 61 HG23 ILE 61 0.083 6.916 -4.640 1133 HD11 ILE 61 HD11 ILE 61 -3.685 6.654 -5.278 1134 HD12 ILE 61 HD12 ILE 61 -2.523 7.799 -5.949 1135 HD13 ILE 61 HD13 ILE 61 -2.163 6.953 -4.440 1136 H GLU 62 H GLU 62 1.570 8.995 -7.513 1137 HA GLU 62 HA GLU 62 3.700 7.360 -8.788 1138 HB2 GLU 62 HB2 GLU 62 2.976 10.280 -9.262 1139 HB3 GLU 62 HB3 GLU 62 4.502 9.572 -9.792 1140 HG2 GLU 62 HG2 GLU 62 3.317 8.003 -11.243 1141 HG3 GLU 62 HG3 GLU 62 1.759 8.593 -10.659 1142 H ILE 63 H ILE 63 5.506 7.161 -7.641 1143 HA ILE 63 HA ILE 63 5.777 8.716 -5.158 1144 HB ILE 63 HB ILE 63 7.250 6.962 -4.326 1145 HG12 ILE 63 HG12 ILE 63 6.816 5.442 -6.946 1146 HG13 ILE 63 HG13 ILE 63 8.295 6.308 -6.549 1147 HG21 ILE 63 HG21 ILE 63 5.611 5.123 -4.169 1148 HG22 ILE 63 HG22 ILE 63 4.703 5.805 -5.519 1149 HG23 ILE 63 HG23 ILE 63 4.826 6.697 -4.000 1150 HD11 ILE 63 HD11 ILE 63 8.644 4.823 -4.630 1151 HD12 ILE 63 HD12 ILE 63 8.551 3.941 -6.154 1152 HD13 ILE 63 HD13 ILE 63 7.174 3.938 -5.054 1153 H TYR 64 H TYR 64 7.439 9.921 -4.672 1154 HA TYR 64 HA TYR 64 9.786 10.226 -6.475 1155 HB2 TYR 64 HB2 TYR 64 8.449 12.384 -4.758 1156 HB3 TYR 64 HB3 TYR 64 9.839 12.622 -5.810 1157 HD1 TYR 64 HD2 TYR 64 6.160 12.187 -5.714 1158 HD2 TYR 64 HD1 TYR 64 9.543 12.781 -8.268 1159 HE1 TYR 64 HE2 TYR 64 4.654 12.741 -7.573 1160 HE2 TYR 64 HE1 TYR 64 8.029 13.345 -10.123 1161 HH TYR 64 HH TYR 64 5.496 12.709 -10.697 1162 H ASN 65 H ASN 65 11.758 11.088 -5.183 1163 HA ASN 65 HA ASN 65 11.964 9.742 -2.590 1164 HB2 ASN 65 HB2 ASN 65 13.818 9.832 -4.415 1165 HB3 ASN 65 HB3 ASN 65 14.112 11.478 -3.870 1166 HD21 ASN 65 HD21 ASN 65 15.951 9.274 -3.813 1167 HD22 ASN 65 HD22 ASN 65 16.381 9.018 -2.161 1168 H GLU 66 H GLU 66 12.295 10.853 -0.580 1169 HA GLU 66 HA GLU 66 10.818 13.220 -0.233 1170 HB2 GLU 66 HB2 GLU 66 11.682 13.186 2.142 1171 HB3 GLU 66 HB3 GLU 66 10.904 11.711 1.602 1172 HG2 GLU 66 HG2 GLU 66 12.752 11.002 2.877 1173 HG3 GLU 66 HG3 GLU 66 13.227 10.756 1.200 1174 H GLY 67 H GLY 67 11.338 15.345 0.223 1175 HA2 GLY 67 HA2 GLY 67 12.666 17.256 0.406 1176 HA3 GLY 67 HA3 GLY 67 14.101 16.309 0.060 1177 H HIS 68 H HIS 68 12.460 15.243 -2.415 1178 HA HIS 68 HA HIS 68 13.630 16.826 -4.416 1179 HB2 HIS 68 HB2 HIS 68 12.893 14.491 -4.777 1180 HB3 HIS 68 HB3 HIS 68 11.210 14.978 -4.614 1181 HD1 HIS 68 HD1 HIS 68 13.963 16.491 -6.795 1182 HD2 HIS 68 HD2 HIS 68 10.241 14.675 -7.142 1183 HE1 HIS 68 HE1 HIS 68 13.397 16.583 -9.233 1184 HE2 HIS 68 HE2 HIS 68 11.269 15.257 -9.438 1185 H PHE 69 H PHE 69 10.169 16.804 -3.418 1186 HA PHE 69 HA PHE 69 9.621 19.323 -4.788 1187 HB2 PHE 69 HB2 PHE 69 7.932 17.344 -3.241 1188 HB3 PHE 69 HB3 PHE 69 7.310 18.963 -3.537 1189 HD1 PHE 69 HD1 PHE 69 6.743 19.716 -5.798 1190 HD2 PHE 69 HD2 PHE 69 8.197 15.748 -5.116 1191 HE1 PHE 69 HE1 PHE 69 6.002 19.054 -8.045 1192 HE2 PHE 69 HE2 PHE 69 7.448 15.104 -7.368 1193 HZ PHE 69 HZ PHE 69 6.357 16.750 -8.835 1194 H ASP 70 H ASP 70 10.418 18.271 -1.538 1195 HA ASP 70 HA ASP 70 10.754 19.307 0.442 1196 HB2 ASP 70 HB2 ASP 70 12.272 20.671 -1.043 1197 HB3 ASP 70 HB3 ASP 70 10.973 21.840 -1.236 1198 H PHE 71 H PHE 71 9.581 22.414 0.488 1199 HA PHE 71 HA PHE 71 6.874 21.609 1.350 1200 HB2 PHE 71 HB2 PHE 71 8.482 24.137 1.932 1201 HB3 PHE 71 HB3 PHE 71 6.838 23.861 2.490 1202 HD1 PHE 71 HD1 PHE 71 6.365 22.238 4.301 1203 HD2 PHE 71 HD2 PHE 71 10.372 22.935 2.967 1204 HE1 PHE 71 HE1 PHE 71 7.236 21.113 6.313 1205 HE2 PHE 71 HE2 PHE 71 11.228 21.812 4.978 1206 HZ PHE 71 HZ PHE 71 9.668 20.903 6.652 1207 H SER 72 H SER 72 7.719 22.049 -1.506 1208 HA SER 72 HA SER 72 6.391 24.481 -2.411 1209 HB2 SER 72 HB2 SER 72 7.420 22.120 -4.057 1210 HB3 SER 72 HB3 SER 72 6.985 23.716 -4.674 1211 HG SER 72 HG SER 72 9.331 22.920 -3.815 1212 H PHE 73 H PHE 73 4.926 23.960 -4.546 1213 HA PHE 73 HA PHE 73 2.466 22.756 -3.755 1214 HB2 PHE 73 HB2 PHE 73 1.754 23.213 -6.097 1215 HB3 PHE 73 HB3 PHE 73 2.552 24.607 -5.385 1216 HD1 PHE 73 HD2 PHE 73 4.906 25.211 -6.105 1217 HD2 PHE 73 HD1 PHE 73 2.679 22.136 -8.082 1218 HE1 PHE 73 HE2 PHE 73 6.444 25.319 -8.024 1219 HE2 PHE 73 HE1 PHE 73 4.229 22.252 -9.991 1220 HZ PHE 73 HZ PHE 73 6.106 23.842 -9.965 1221 H GLY 74 H GLY 74 1.370 21.029 -5.230 1222 HA2 GLY 74 HA2 GLY 74 2.936 18.583 -5.264 1223 HA3 GLY 74 HA3 GLY 74 1.234 18.761 -5.662 1224 H LEU 75 H LEU 75 1.083 17.776 -7.665 1225 HA LEU 75 HA LEU 75 2.169 19.201 -9.926 1226 HB2 LEU 75 HB2 LEU 75 3.981 17.515 -9.115 1227 HB3 LEU 75 HB3 LEU 75 2.906 16.257 -9.707 1228 HG LEU 75 HG LEU 75 3.075 17.141 -11.991 1229 HD11 LEU 75 HD11 LEU 75 3.312 19.519 -11.550 1230 HD12 LEU 75 HD12 LEU 75 4.637 18.962 -12.568 1231 HD13 LEU 75 HD13 LEU 75 4.915 19.263 -10.850 1232 HD21 LEU 75 HD21 LEU 75 4.726 15.470 -11.292 1233 HD22 LEU 75 HD22 LEU 75 5.811 16.748 -10.739 1234 HD23 LEU 75 HD23 LEU 75 5.424 16.597 -12.456 1235 H GLU 76 H GLU 76 -0.412 18.024 -8.594 1236 HA GLU 76 HA GLU 76 -1.710 16.496 -10.607 1237 HB2 GLU 76 HB2 GLU 76 -2.546 16.561 -8.279 1238 HB3 GLU 76 HB3 GLU 76 -2.924 18.274 -8.449 1239 HG2 GLU 76 HG2 GLU 76 -4.541 17.660 -10.291 1240 HG3 GLU 76 HG3 GLU 76 -4.237 15.961 -9.918 1241 H HIS 77 H HIS 77 -1.723 17.307 -12.618 1242 HA HIS 77 HA HIS 77 -3.357 19.690 -13.141 1243 HB2 HIS 77 HB2 HIS 77 -1.781 20.244 -15.122 1244 HB3 HIS 77 HB3 HIS 77 -1.235 20.664 -13.502 1245 HD1 HIS 77 HD1 HIS 77 -0.743 17.843 -16.022 1246 HD2 HIS 77 HD2 HIS 77 1.303 19.803 -12.985 1247 HE1 HIS 77 HE1 HIS 77 1.559 16.852 -16.020 1248 HE2 HIS 77 HE2 HIS 77 2.824 18.199 -14.321 1249 H HIS 78 H HIS 78 -5.099 18.939 -14.153 1250 HA HIS 78 HA HIS 78 -4.967 16.340 -15.510 1251 HB2 HIS 78 HB2 HIS 78 -6.626 16.667 -13.680 1252 HB3 HIS 78 HB3 HIS 78 -7.429 17.908 -14.641 1253 HD1 HIS 78 HD1 HIS 78 -6.871 14.191 -14.474 1254 HD2 HIS 78 HD2 HIS 78 -9.089 16.915 -16.692 1255 HE1 HIS 78 HE1 HIS 78 -8.454 12.807 -15.849 1256 HE2 HIS 78 HE2 HIS 78 -9.734 14.473 -17.231 1257 H HIS 79 H HIS 79 -4.390 16.560 -17.595 1258 HA HIS 79 HA HIS 79 -6.454 17.719 -19.365 1259 HB2 HIS 79 HB2 HIS 79 -3.441 17.917 -19.713 1260 HB3 HIS 79 HB3 HIS 79 -4.519 17.991 -21.105 1261 HD1 HIS 79 HD1 HIS 79 -2.654 20.336 -19.764 1262 HD2 HIS 79 HD2 HIS 79 -6.796 20.020 -19.736 1263 HE1 HIS 79 HE1 HIS 79 -3.505 22.677 -19.483 1264 HE2 HIS 79 HE2 HIS 79 -5.999 22.442 -19.306 1265 H HIS 80 H HIS 80 -6.122 16.659 -21.677 1266 HA HIS 80 HA HIS 80 -5.627 13.797 -21.581 1267 HB2 HIS 80 HB2 HIS 80 -7.838 13.983 -20.464 1268 HB3 HIS 80 HB3 HIS 80 -8.467 14.898 -21.830 1269 HD1 HIS 80 HD1 HIS 80 -7.453 11.425 -20.803 1270 HD2 HIS 80 HD2 HIS 80 -9.349 13.331 -23.965 1271 HE1 HIS 80 HE1 HIS 80 -8.421 9.590 -22.203 1272 HE2 HIS 80 HE2 HIS 80 -9.392 10.757 -24.203 1273 H HIS 81 H HIS 81 -4.795 13.317 -23.523 1274 HA HIS 81 HA HIS 81 -4.995 15.149 -25.761 1275 HB2 HIS 81 HB2 HIS 81 -3.451 12.553 -25.397 1276 HB3 HIS 81 HB3 HIS 81 -3.375 13.535 -26.855 1277 HD1 HIS 81 HD1 HIS 81 -2.083 15.773 -26.728 1278 HD2 HIS 81 HD2 HIS 81 -2.038 13.606 -23.181 1279 HE1 HIS 81 HE1 HIS 81 -0.295 16.829 -25.321 1280 HE2 HIS 81 HE2 HIS 81 -0.241 15.462 -23.208 1281 H HIS 82 H HIS 82 -6.836 15.102 -26.890 1282 HA HIS 82 HA HIS 82 -8.079 12.569 -27.762 1283 HB2 HIS 82 HB2 HIS 82 -9.588 14.260 -26.786 1284 HB3 HIS 82 HB3 HIS 82 -9.030 15.469 -27.933 1285 HD1 HIS 82 HD1 HIS 82 -10.650 12.011 -28.184 1286 HD2 HIS 82 HD2 HIS 82 -10.849 15.772 -29.927 1287 HE1 HIS 82 HE1 HIS 82 -12.473 11.854 -29.886 1288 HE2 HIS 82 HE2 HIS 82 -12.497 14.102 -31.009 Start of MODEL 7 1 H1 MET 1 H1 MET 1 2.233 14.801 -0.911 2 H2 MET 1 H2 MET 1 2.082 16.409 -1.413 3 H3 MET 1 H3 MET 1 0.864 15.292 -1.768 4 HA MET 1 HA MET 1 1.656 16.129 0.968 5 HB2 MET 1 HB2 MET 1 -0.446 17.457 1.009 6 HB3 MET 1 HB3 MET 1 0.652 18.020 -0.240 7 HG2 MET 1 HG2 MET 1 -0.683 16.812 -1.937 8 HG3 MET 1 HG3 MET 1 -1.812 16.312 -0.677 9 HE1 MET 1 HE1 MET 1 -3.340 18.084 0.710 10 HE2 MET 1 HE2 MET 1 -3.292 19.824 0.427 11 HE3 MET 1 HE3 MET 1 -1.901 19.008 1.141 12 H ASP 2 H ASP 2 1.477 13.481 0.087 13 HA ASP 2 HA ASP 2 -0.999 12.185 0.304 14 HB2 ASP 2 HB2 ASP 2 0.362 10.115 0.541 15 HB3 ASP 2 HB3 ASP 2 0.920 11.147 -0.767 16 H LYS 3 H LYS 3 1.081 13.324 2.866 17 HA LYS 3 HA LYS 3 0.764 11.166 4.667 18 HB2 LYS 3 HB2 LYS 3 2.688 12.789 4.589 19 HB3 LYS 3 HB3 LYS 3 1.645 13.993 5.328 20 HG2 LYS 3 HG2 LYS 3 3.224 12.848 6.912 21 HG3 LYS 3 HG3 LYS 3 1.524 12.762 7.381 22 HD2 LYS 3 HD2 LYS 3 2.742 10.615 7.724 23 HD3 LYS 3 HD3 LYS 3 1.365 10.460 6.640 24 HE2 LYS 3 HE2 LYS 3 3.283 9.157 5.844 25 HE3 LYS 3 HE3 LYS 3 2.886 10.436 4.701 26 HZ1 LYS 3 HZ1 LYS 3 5.258 10.216 5.060 27 HZ2 LYS 3 HZ2 LYS 3 5.054 10.537 6.706 28 HZ3 LYS 3 HZ3 LYS 3 4.703 11.733 5.571 29 H LYS 4 H LYS 4 -1.044 14.223 4.403 30 HA LYS 4 HA LYS 4 -2.722 13.629 6.713 31 HB2 LYS 4 HB2 LYS 4 -2.753 15.834 4.641 32 HB3 LYS 4 HB3 LYS 4 -4.118 15.616 5.727 33 HG2 LYS 4 HG2 LYS 4 -2.709 17.313 6.660 34 HG3 LYS 4 HG3 LYS 4 -2.576 15.875 7.671 35 HD2 LYS 4 HD2 LYS 4 -0.400 15.336 6.496 36 HD3 LYS 4 HD3 LYS 4 -0.539 16.875 5.639 37 HE2 LYS 4 HE2 LYS 4 -0.250 16.486 8.641 38 HE3 LYS 4 HE3 LYS 4 0.957 17.146 7.536 39 HZ1 LYS 4 HZ1 LYS 4 -0.137 18.912 8.716 40 HZ2 LYS 4 HZ2 LYS 4 -1.659 18.375 8.214 41 HZ3 LYS 4 HZ3 LYS 4 -0.567 18.990 7.082 42 H ILE 5 H ILE 5 -2.907 13.240 3.228 43 HA ILE 5 HA ILE 5 -5.622 12.517 2.938 44 HB ILE 5 HB ILE 5 -3.230 11.584 1.281 45 HG12 ILE 5 HG12 ILE 5 -5.072 13.973 0.786 46 HG13 ILE 5 HG13 ILE 5 -3.454 14.089 1.469 47 HG21 ILE 5 HG21 ILE 5 -6.175 11.634 0.509 48 HG22 ILE 5 HG22 ILE 5 -5.211 10.190 0.820 49 HG23 ILE 5 HG23 ILE 5 -4.839 11.214 -0.567 50 HD11 ILE 5 HD11 ILE 5 -3.479 14.684 -0.883 51 HD12 ILE 5 HD12 ILE 5 -4.130 13.101 -1.302 52 HD13 ILE 5 HD13 ILE 5 -2.507 13.237 -0.619 53 H VAL 6 H VAL 6 -2.734 10.474 3.506 54 HA VAL 6 HA VAL 6 -4.123 7.988 3.543 55 HB VAL 6 HB VAL 6 -2.021 6.950 4.289 56 HG11 VAL 6 HG11 VAL 6 -0.581 7.573 2.375 57 HG12 VAL 6 HG12 VAL 6 -1.555 9.021 2.106 58 HG13 VAL 6 HG13 VAL 6 -2.273 7.421 1.893 59 HG21 VAL 6 HG21 VAL 6 -1.216 8.641 5.895 60 HG22 VAL 6 HG22 VAL 6 -0.910 9.777 4.582 61 HG23 VAL 6 HG23 VAL 6 0.038 8.294 4.701 62 H GLY 7 H GLY 7 -3.070 10.269 6.064 63 HA2 GLY 7 HA2 GLY 7 -3.750 8.761 8.358 64 HA3 GLY 7 HA3 GLY 7 -3.717 10.517 8.256 65 H ALA 8 H ALA 8 -5.703 10.877 6.284 66 HA ALA 8 HA ALA 8 -8.138 10.724 7.745 67 HB1 ALA 8 HB1 ALA 8 -7.694 11.364 4.807 68 HB2 ALA 8 HB2 ALA 8 -7.648 12.521 6.137 69 HB3 ALA 8 HB3 ALA 8 -9.162 11.709 5.738 70 H ASN 9 H ASN 9 -7.072 8.970 4.772 71 HA ASN 9 HA ASN 9 -9.592 7.563 4.573 72 HB2 ASN 9 HB2 ASN 9 -8.682 6.598 2.499 73 HB3 ASN 9 HB3 ASN 9 -8.517 8.344 2.540 74 HD21 ASN 9 HD21 ASN 9 -6.891 8.287 0.964 75 HD22 ASN 9 HD22 ASN 9 -5.296 7.728 1.300 76 H ALA 10 H ALA 10 -6.678 6.829 6.228 77 HA ALA 10 HA ALA 10 -6.746 3.970 6.080 78 HB1 ALA 10 HB1 ALA 10 -5.537 5.743 8.224 79 HB2 ALA 10 HB2 ALA 10 -4.732 5.219 6.745 80 HB3 ALA 10 HB3 ALA 10 -5.187 4.031 7.965 81 H GLY 11 H GLY 11 -8.421 6.342 8.037 82 HA2 GLY 11 HA2 GLY 11 -9.362 4.678 10.131 83 HA3 GLY 11 HA3 GLY 11 -10.069 6.202 9.623 84 H LYS 12 H LYS 12 -10.880 5.632 7.029 85 HA LYS 12 HA LYS 12 -13.327 4.231 7.499 86 HB2 LYS 12 HB2 LYS 12 -13.861 4.698 5.113 87 HB3 LYS 12 HB3 LYS 12 -13.347 6.127 5.992 88 HG2 LYS 12 HG2 LYS 12 -11.143 6.014 4.941 89 HG3 LYS 12 HG3 LYS 12 -11.588 4.526 4.117 90 HD2 LYS 12 HD2 LYS 12 -11.757 6.280 2.505 91 HD3 LYS 12 HD3 LYS 12 -13.406 5.825 2.920 92 HE2 LYS 12 HE2 LYS 12 -11.940 8.244 4.027 93 HE3 LYS 12 HE3 LYS 12 -13.066 8.281 2.675 94 HZ1 LYS 12 HZ1 LYS 12 -14.780 7.428 4.253 95 HZ2 LYS 12 HZ2 LYS 12 -14.216 8.982 4.594 96 HZ3 LYS 12 HZ3 LYS 12 -13.678 7.672 5.513 97 H VAL 13 H VAL 13 -10.340 3.324 5.724 98 HA VAL 13 HA VAL 13 -11.412 0.878 4.686 99 HB VAL 13 HB VAL 13 -9.151 0.234 4.054 100 HG11 VAL 13 HG11 VAL 13 -9.591 3.200 3.550 101 HG12 VAL 13 HG12 VAL 13 -10.271 1.869 2.610 102 HG13 VAL 13 HG13 VAL 13 -8.528 2.142 2.615 103 HG21 VAL 13 HG21 VAL 13 -8.124 2.591 5.675 104 HG22 VAL 13 HG22 VAL 13 -7.147 1.561 4.625 105 HG23 VAL 13 HG23 VAL 13 -7.901 0.887 6.069 106 H TRP 14 H TRP 14 -9.637 1.683 7.649 107 HA TRP 14 HA TRP 14 -9.413 -0.979 8.651 108 HB2 TRP 14 HB2 TRP 14 -8.054 1.012 9.469 109 HB3 TRP 14 HB3 TRP 14 -9.482 1.556 10.341 110 HD1 TRP 14 HD1 TRP 14 -6.803 -1.224 10.402 111 HE1 TRP 14 HE1 TRP 14 -6.868 -2.378 12.698 112 HE3 TRP 14 HE3 TRP 14 -10.948 1.030 12.316 113 HZ2 TRP 14 HZ2 TRP 14 -8.460 -2.331 15.035 114 HZ3 TRP 14 HZ3 TRP 14 -11.697 0.437 14.598 115 HH2 TRP 14 HH2 TRP 14 -10.471 -1.218 15.927 116 H HIS 15 H HIS 15 -11.923 1.491 8.904 117 HA HIS 15 HA HIS 15 -13.630 0.185 10.765 118 HB2 HIS 15 HB2 HIS 15 -13.842 2.589 10.154 119 HB3 HIS 15 HB3 HIS 15 -14.368 2.133 8.535 120 HD1 HIS 15 HD1 HIS 15 -15.487 1.799 12.149 121 HD2 HIS 15 HD2 HIS 15 -17.092 1.778 8.318 122 HE1 HIS 15 HE1 HIS 15 -17.968 1.694 12.467 123 HE2 HIS 15 HE2 HIS 15 -18.884 1.428 10.146 124 H ALA 16 H ALA 16 -13.295 -0.090 7.247 125 HA ALA 16 HA ALA 16 -15.479 -1.847 6.747 126 HB1 ALA 16 HB1 ALA 16 -14.354 -2.327 4.615 127 HB2 ALA 16 HB2 ALA 16 -12.879 -1.561 5.210 128 HB3 ALA 16 HB3 ALA 16 -14.335 -0.596 4.960 129 H LEU 17 H LEU 17 -12.131 -2.417 7.746 130 HA LEU 17 HA LEU 17 -12.141 -5.285 7.678 131 HB2 LEU 17 HB2 LEU 17 -10.457 -3.391 9.360 132 HB3 LEU 17 HB3 LEU 17 -10.096 -5.088 9.062 133 HG LEU 17 HG LEU 17 -10.241 -3.024 6.831 134 HD11 LEU 17 HD11 LEU 17 -8.503 -2.360 8.434 135 HD12 LEU 17 HD12 LEU 17 -7.826 -2.872 6.889 136 HD13 LEU 17 HD13 LEU 17 -7.757 -3.954 8.283 137 HD21 LEU 17 HD21 LEU 17 -10.500 -5.363 6.122 138 HD22 LEU 17 HD22 LEU 17 -8.976 -5.780 6.911 139 HD23 LEU 17 HD23 LEU 17 -8.990 -4.669 5.538 140 H ASN 18 H ASN 18 -12.983 -2.873 10.117 141 HA ASN 18 HA ASN 18 -13.358 -4.662 12.325 142 HB2 ASN 18 HB2 ASN 18 -12.956 -2.077 12.309 143 HB3 ASN 18 HB3 ASN 18 -14.681 -1.935 12.021 144 HD21 ASN 18 HD21 ASN 18 -15.468 -4.110 13.867 145 HD22 ASN 18 HD22 ASN 18 -15.153 -3.520 15.445 146 H GLU 19 H GLU 19 -15.398 -3.504 9.677 147 HA GLU 19 HA GLU 19 -17.871 -4.624 10.680 148 HB2 GLU 19 HB2 GLU 19 -17.861 -2.683 9.117 149 HB3 GLU 19 HB3 GLU 19 -17.152 -3.693 7.861 150 HG2 GLU 19 HG2 GLU 19 -19.176 -5.077 7.785 151 HG3 GLU 19 HG3 GLU 19 -19.875 -4.173 9.125 152 H ALA 20 H ALA 20 -15.353 -5.601 8.357 153 HA ALA 20 HA ALA 20 -15.969 -8.413 8.681 154 HB1 ALA 20 HB1 ALA 20 -16.431 -8.889 6.309 155 HB2 ALA 20 HB2 ALA 20 -16.357 -7.166 5.930 156 HB3 ALA 20 HB3 ALA 20 -17.641 -7.787 6.970 157 H ASP 21 H ASP 21 -13.899 -8.989 9.177 158 HA ASP 21 HA ASP 21 -11.580 -8.135 7.654 159 HB2 ASP 21 HB2 ASP 21 -10.315 -9.612 9.174 160 HB3 ASP 21 HB3 ASP 21 -11.399 -8.557 10.072 161 H GLY 22 H GLY 22 -9.987 -10.105 7.002 162 HA2 GLY 22 HA2 GLY 22 -9.529 -11.712 5.412 163 HA3 GLY 22 HA3 GLY 22 -11.072 -12.450 5.812 164 H ILE 23 H ILE 23 -10.238 -9.292 4.421 165 HA ILE 23 HA ILE 23 -12.254 -9.726 2.293 166 HB ILE 23 HB ILE 23 -12.972 -8.166 4.083 167 HG12 ILE 23 HG12 ILE 23 -12.485 -6.591 1.520 168 HG13 ILE 23 HG13 ILE 23 -13.727 -7.824 1.687 169 HG21 ILE 23 HG21 ILE 23 -10.630 -6.415 3.270 170 HG22 ILE 23 HG22 ILE 23 -10.779 -7.314 4.783 171 HG23 ILE 23 HG23 ILE 23 -11.890 -5.988 4.432 172 HD11 ILE 23 HD11 ILE 23 -14.810 -6.495 3.443 173 HD12 ILE 23 HD12 ILE 23 -14.659 -5.602 1.929 174 HD13 ILE 23 HD13 ILE 23 -13.562 -5.257 3.264 175 H SER 24 H SER 24 -11.814 -8.967 0.198 176 HA SER 24 HA SER 24 -9.011 -8.784 -0.559 177 HB2 SER 24 HB2 SER 24 -10.622 -10.092 -1.923 178 HB3 SER 24 HB3 SER 24 -11.506 -8.615 -2.300 179 HG SER 24 HG SER 24 -10.016 -9.222 -3.950 180 H ILE 25 H ILE 25 -8.080 -7.024 -1.836 181 HA ILE 25 HA ILE 25 -8.440 -4.543 -0.567 182 HB ILE 25 HB ILE 25 -6.944 -4.988 -3.186 183 HG12 ILE 25 HG12 ILE 25 -5.923 -5.165 -0.308 184 HG13 ILE 25 HG13 ILE 25 -6.134 -6.516 -1.411 185 HG21 ILE 25 HG21 ILE 25 -6.650 -2.745 -1.142 186 HG22 ILE 25 HG22 ILE 25 -7.337 -2.595 -2.762 187 HG23 ILE 25 HG23 ILE 25 -5.629 -2.981 -2.560 188 HD11 ILE 25 HD11 ILE 25 -3.797 -5.893 -1.197 189 HD12 ILE 25 HD12 ILE 25 -4.151 -4.258 -1.753 190 HD13 ILE 25 HD13 ILE 25 -4.358 -5.630 -2.847 191 HA PRO 26 HA PRO 26 -10.760 -2.837 -4.581 192 HB2 PRO 26 HB2 PRO 26 -12.038 -4.681 -6.185 193 HB3 PRO 26 HB3 PRO 26 -10.391 -4.110 -6.493 194 HG2 PRO 26 HG2 PRO 26 -11.283 -6.624 -5.069 195 HG3 PRO 26 HG3 PRO 26 -10.066 -6.443 -6.352 196 HD2 PRO 26 HD2 PRO 26 -9.316 -6.622 -3.779 197 HD3 PRO 26 HD3 PRO 26 -8.472 -5.511 -4.888 198 H GLU 27 H GLU 27 -11.819 -5.550 -2.656 199 HA GLU 27 HA GLU 27 -14.642 -5.201 -2.913 200 HB2 GLU 27 HB2 GLU 27 -13.523 -7.363 -2.326 201 HB3 GLU 27 HB3 GLU 27 -13.085 -6.686 -0.763 202 HG2 GLU 27 HG2 GLU 27 -15.504 -6.442 -0.230 203 HG3 GLU 27 HG3 GLU 27 -15.903 -7.199 -1.771 204 H LEU 28 H LEU 28 -12.356 -4.399 -0.183 205 HA LEU 28 HA LEU 28 -14.363 -2.772 1.102 206 HB2 LEU 28 HB2 LEU 28 -12.816 -2.092 2.746 207 HB3 LEU 28 HB3 LEU 28 -12.611 -3.807 2.482 208 HG LEU 28 HG LEU 28 -10.715 -1.814 1.205 209 HD11 LEU 28 HD11 LEU 28 -9.230 -2.031 3.135 210 HD12 LEU 28 HD12 LEU 28 -10.450 -2.985 3.987 211 HD13 LEU 28 HD13 LEU 28 -10.767 -1.294 3.591 212 HD21 LEU 28 HD21 LEU 28 -10.595 -4.120 0.390 213 HD22 LEU 28 HD22 LEU 28 -10.361 -4.711 2.037 214 HD23 LEU 28 HD23 LEU 28 -9.134 -3.691 1.278 215 H ALA 29 H ALA 29 -11.877 -2.112 -1.297 216 HA ALA 29 HA ALA 29 -11.595 0.647 -1.176 217 HB1 ALA 29 HB1 ALA 29 -11.033 0.590 -3.562 218 HB2 ALA 29 HB2 ALA 29 -11.758 -1.015 -3.711 219 HB3 ALA 29 HB3 ALA 29 -10.318 -0.785 -2.717 220 H ARG 30 H ARG 30 -14.183 -1.135 -2.876 221 HA ARG 30 HA ARG 30 -15.542 1.180 -3.867 222 HB2 ARG 30 HB2 ARG 30 -17.334 -0.365 -4.503 223 HB3 ARG 30 HB3 ARG 30 -15.759 -1.030 -4.918 224 HG2 ARG 30 HG2 ARG 30 -15.911 -2.397 -2.762 225 HG3 ARG 30 HG3 ARG 30 -17.595 -1.879 -2.663 226 HD2 ARG 30 HD2 ARG 30 -17.486 -4.083 -3.688 227 HD3 ARG 30 HD3 ARG 30 -18.007 -2.909 -4.899 228 HE ARG 30 HE ARG 30 -15.533 -2.908 -5.569 229 HH11 ARG 30 HH11 ARG 30 -17.167 -5.746 -4.416 230 HH12 ARG 30 HH12 ARG 30 -16.064 -6.816 -5.201 231 HH21 ARG 30 HH21 ARG 30 -14.139 -4.305 -6.543 232 HH22 ARG 30 HH22 ARG 30 -14.375 -6.014 -6.399 233 H LYS 31 H LYS 31 -15.767 -0.608 -0.846 234 HA LYS 31 HA LYS 31 -18.228 0.468 0.150 235 HB2 LYS 31 HB2 LYS 31 -15.818 -0.657 1.656 236 HB3 LYS 31 HB3 LYS 31 -17.398 -0.347 2.373 237 HG2 LYS 31 HG2 LYS 31 -18.412 -2.058 0.939 238 HG3 LYS 31 HG3 LYS 31 -16.863 -2.330 0.138 239 HD2 LYS 31 HD2 LYS 31 -17.369 -4.073 1.846 240 HD3 LYS 31 HD3 LYS 31 -15.885 -3.190 2.205 241 HE2 LYS 31 HE2 LYS 31 -17.281 -3.591 4.226 242 HE3 LYS 31 HE3 LYS 31 -17.042 -1.873 3.913 243 HZ1 LYS 31 HZ1 LYS 31 -19.322 -2.377 4.508 244 HZ2 LYS 31 HZ2 LYS 31 -19.464 -3.434 3.200 245 HZ3 LYS 31 HZ3 LYS 31 -19.242 -1.781 2.929 246 H VAL 32 H VAL 32 -14.822 1.351 0.538 247 HA VAL 32 HA VAL 32 -15.363 3.727 2.164 248 HB VAL 32 HB VAL 32 -12.956 3.908 2.365 249 HG11 VAL 32 HG11 VAL 32 -14.048 2.255 3.816 250 HG12 VAL 32 HG12 VAL 32 -12.427 1.715 3.392 251 HG13 VAL 32 HG13 VAL 32 -13.828 0.997 2.594 252 HG21 VAL 32 HG21 VAL 32 -12.271 3.387 0.062 253 HG22 VAL 32 HG22 VAL 32 -12.721 1.698 0.285 254 HG23 VAL 32 HG23 VAL 32 -11.379 2.383 1.205 255 H ASN 33 H ASN 33 -15.463 3.054 -1.092 256 HA ASN 33 HA ASN 33 -15.785 4.257 -2.951 257 HB2 ASN 33 HB2 ASN 33 -15.982 6.635 -1.058 258 HB3 ASN 33 HB3 ASN 33 -16.462 6.663 -2.754 259 HD21 ASN 33 HD21 ASN 33 -18.321 5.484 -3.390 260 HD22 ASN 33 HD22 ASN 33 -19.500 4.969 -2.240 261 H LEU 34 H LEU 34 -13.010 3.899 -1.831 262 HA LEU 34 HA LEU 34 -11.535 5.989 -3.323 263 HB2 LEU 34 HB2 LEU 34 -10.464 3.763 -1.537 264 HB3 LEU 34 HB3 LEU 34 -9.521 5.069 -2.246 265 HG LEU 34 HG LEU 34 -11.701 5.444 -0.147 266 HD11 LEU 34 HD11 LEU 34 -9.873 5.878 1.426 267 HD12 LEU 34 HD12 LEU 34 -8.682 5.495 0.179 268 HD13 LEU 34 HD13 LEU 34 -9.779 4.244 0.773 269 HD21 LEU 34 HD21 LEU 34 -10.848 7.751 0.038 270 HD22 LEU 34 HD22 LEU 34 -11.455 7.424 -1.582 271 HD23 LEU 34 HD23 LEU 34 -9.715 7.451 -1.285 272 H SER 35 H SER 35 -9.724 5.239 -4.720 273 HA SER 35 HA SER 35 -10.277 3.041 -6.464 274 HB2 SER 35 HB2 SER 35 -7.686 4.613 -6.106 275 HB3 SER 35 HB3 SER 35 -8.071 3.557 -7.469 276 HG SER 35 HG SER 35 -8.933 5.259 -8.319 277 H VAL 36 H VAL 36 -8.911 1.116 -6.782 278 HA VAL 36 HA VAL 36 -8.534 -0.444 -4.483 279 HB VAL 36 HB VAL 36 -7.222 -0.872 -7.204 280 HG11 VAL 36 HG11 VAL 36 -7.860 -2.901 -5.021 281 HG12 VAL 36 HG12 VAL 36 -6.249 -2.346 -5.485 282 HG13 VAL 36 HG13 VAL 36 -7.217 -3.282 -6.622 283 HG21 VAL 36 HG21 VAL 36 -9.204 -2.252 -7.767 284 HG22 VAL 36 HG22 VAL 36 -9.646 -0.572 -7.461 285 HG23 VAL 36 HG23 VAL 36 -9.952 -1.800 -6.231 286 H GLU 37 H GLU 37 -6.031 1.126 -6.505 287 HA GLU 37 HA GLU 37 -3.770 0.462 -4.946 288 HB2 GLU 37 HB2 GLU 37 -4.182 2.847 -6.791 289 HB3 GLU 37 HB3 GLU 37 -2.622 2.316 -6.167 290 HG2 GLU 37 HG2 GLU 37 -2.930 0.140 -7.333 291 HG3 GLU 37 HG3 GLU 37 -4.445 0.738 -8.004 292 H SER 38 H SER 38 -5.923 3.290 -4.745 293 HA SER 38 HA SER 38 -4.505 4.777 -2.782 294 HB2 SER 38 HB2 SER 38 -7.489 4.783 -3.394 295 HB3 SER 38 HB3 SER 38 -6.631 6.028 -2.483 296 HG SER 38 HG SER 38 -7.000 6.437 -4.797 297 H THR 39 H THR 39 -6.811 2.145 -2.537 298 HA THR 39 HA THR 39 -7.211 2.283 0.319 299 HB THR 39 HB THR 39 -7.853 0.087 -1.696 300 HG1 THR 39 HG1 THR 39 -9.188 1.762 -2.110 301 HG21 THR 39 HG21 THR 39 -7.703 -0.913 0.559 302 HG22 THR 39 HG22 THR 39 -9.378 -0.852 0.009 303 HG23 THR 39 HG23 THR 39 -8.797 0.323 1.190 304 H ALA 40 H ALA 40 -5.251 0.204 -1.865 305 HA ALA 40 HA ALA 40 -4.043 -1.467 0.065 306 HB1 ALA 40 HB1 ALA 40 -2.909 -0.538 -2.596 307 HB2 ALA 40 HB2 ALA 40 -3.969 -1.928 -2.354 308 HB3 ALA 40 HB3 ALA 40 -2.343 -1.932 -1.666 309 H LEU 41 H LEU 41 -3.148 1.729 -1.103 310 HA LEU 41 HA LEU 41 -0.725 2.223 0.224 311 HB2 LEU 41 HB2 LEU 41 -2.204 3.620 -1.503 312 HB3 LEU 41 HB3 LEU 41 -2.868 4.339 -0.057 313 HG LEU 41 HG LEU 41 -0.101 4.631 -1.246 314 HD11 LEU 41 HD11 LEU 41 -2.147 6.635 -0.262 315 HD12 LEU 41 HD12 LEU 41 -1.831 6.185 -1.939 316 HD13 LEU 41 HD13 LEU 41 -0.591 7.025 -1.012 317 HD21 LEU 41 HD21 LEU 41 -0.754 5.357 1.633 318 HD22 LEU 41 HD22 LEU 41 0.706 5.822 0.750 319 HD23 LEU 41 HD23 LEU 41 0.389 4.125 1.093 320 H ALA 42 H ALA 42 -4.064 2.933 1.255 321 HA ALA 42 HA ALA 42 -3.538 4.002 3.806 322 HB1 ALA 42 HB1 ALA 42 -5.946 3.705 4.210 323 HB2 ALA 42 HB2 ALA 42 -6.056 2.638 2.805 324 HB3 ALA 42 HB3 ALA 42 -5.647 4.342 2.591 325 H VAL 43 H VAL 43 -4.039 0.671 2.752 326 HA VAL 43 HA VAL 43 -4.217 -0.563 5.324 327 HB VAL 43 HB VAL 43 -3.393 -1.725 2.627 328 HG11 VAL 43 HG11 VAL 43 -3.805 -3.976 3.593 329 HG12 VAL 43 HG12 VAL 43 -4.028 -3.249 5.186 330 HG13 VAL 43 HG13 VAL 43 -2.457 -3.161 4.388 331 HG21 VAL 43 HG21 VAL 43 -5.681 -2.667 2.576 332 HG22 VAL 43 HG22 VAL 43 -5.724 -0.908 2.692 333 HG23 VAL 43 HG23 VAL 43 -6.044 -1.893 4.120 334 H GLY 44 H GLY 44 -1.448 0.089 3.156 335 HA2 GLY 44 HA2 GLY 44 0.626 -1.042 4.718 336 HA3 GLY 44 HA3 GLY 44 0.812 0.264 3.555 337 H TRP 45 H TRP 45 -0.999 2.084 4.914 338 HA TRP 45 HA TRP 45 0.739 3.313 6.828 339 HB2 TRP 45 HB2 TRP 45 -0.755 4.601 5.302 340 HB3 TRP 45 HB3 TRP 45 -2.162 3.968 6.152 341 HD1 TRP 45 HD1 TRP 45 -3.078 5.595 7.969 342 HE1 TRP 45 HE1 TRP 45 -2.138 7.546 9.337 343 HE3 TRP 45 HE3 TRP 45 1.790 5.411 6.415 344 HZ2 TRP 45 HZ2 TRP 45 0.318 8.837 9.729 345 HZ3 TRP 45 HZ3 TRP 45 3.374 7.044 7.350 346 HH2 TRP 45 HH2 TRP 45 2.655 8.719 8.976 347 H LEU 46 H LEU 46 -2.132 1.278 7.108 348 HA LEU 46 HA LEU 46 -2.338 1.368 9.981 349 HB2 LEU 46 HB2 LEU 46 -3.387 -0.684 7.996 350 HB3 LEU 46 HB3 LEU 46 -3.859 -0.582 9.688 351 HG LEU 46 HG LEU 46 -4.392 1.584 7.611 352 HD11 LEU 46 HD11 LEU 46 -5.699 -0.411 7.106 353 HD12 LEU 46 HD12 LEU 46 -6.738 0.887 7.690 354 HD13 LEU 46 HD13 LEU 46 -6.320 -0.454 8.761 355 HD21 LEU 46 HD21 LEU 46 -5.385 1.342 10.470 356 HD22 LEU 46 HD22 LEU 46 -5.845 2.594 9.309 357 HD23 LEU 46 HD23 LEU 46 -4.182 2.492 9.878 358 H ALA 47 H ALA 47 -0.708 -0.791 7.670 359 HA ALA 47 HA ALA 47 0.012 -2.948 9.264 360 HB1 ALA 47 HB1 ALA 47 1.558 -1.816 6.911 361 HB2 ALA 47 HB2 ALA 47 0.179 -2.912 6.804 362 HB3 ALA 47 HB3 ALA 47 1.685 -3.463 7.540 363 H ARG 48 H ARG 48 1.781 0.083 8.824 364 HA ARG 48 HA ARG 48 4.148 -0.519 10.247 365 HB2 ARG 48 HB2 ARG 48 4.494 1.891 10.443 366 HB3 ARG 48 HB3 ARG 48 3.830 1.533 8.849 367 HG2 ARG 48 HG2 ARG 48 1.629 2.279 9.535 368 HG3 ARG 48 HG3 ARG 48 2.163 2.475 11.199 369 HD2 ARG 48 HD2 ARG 48 3.791 4.249 10.324 370 HD3 ARG 48 HD3 ARG 48 2.900 4.166 8.800 371 HE ARG 48 HE ARG 48 0.913 4.901 9.976 372 HH11 ARG 48 HH11 ARG 48 3.866 5.303 11.763 373 HH12 ARG 48 HH12 ARG 48 3.188 6.504 12.802 374 HH21 ARG 48 HH21 ARG 48 0.065 6.384 11.360 375 HH22 ARG 48 HH22 ARG 48 1.049 7.097 12.588 376 H GLU 49 H GLU 49 0.939 0.199 11.438 377 HA GLU 49 HA GLU 49 1.777 0.446 14.268 378 HB2 GLU 49 HB2 GLU 49 -0.942 0.950 12.974 379 HB3 GLU 49 HB3 GLU 49 -0.511 1.313 14.643 380 HG2 GLU 49 HG2 GLU 49 1.041 3.044 13.903 381 HG3 GLU 49 HG3 GLU 49 0.754 2.623 12.217 382 H ASN 50 H ASN 50 1.078 -2.047 12.288 383 HA ASN 50 HA ASN 50 0.401 -4.204 12.453 384 HB2 ASN 50 HB2 ASN 50 0.475 -3.721 15.462 385 HB3 ASN 50 HB3 ASN 50 0.360 -5.305 14.703 386 HD21 ASN 50 HD21 ASN 50 2.275 -6.039 15.610 387 HD22 ASN 50 HD22 ASN 50 3.821 -5.450 15.124 388 H LYS 51 H LYS 51 -1.676 -2.008 12.424 389 HA LYS 51 HA LYS 51 -3.957 -3.026 13.884 390 HB2 LYS 51 HB2 LYS 51 -3.570 -0.736 11.933 391 HB3 LYS 51 HB3 LYS 51 -5.149 -1.122 12.617 392 HG2 LYS 51 HG2 LYS 51 -4.493 -0.532 14.806 393 HG3 LYS 51 HG3 LYS 51 -2.774 -0.639 14.428 394 HD2 LYS 51 HD2 LYS 51 -3.468 1.692 14.724 395 HD3 LYS 51 HD3 LYS 51 -2.915 1.403 13.077 396 HE2 LYS 51 HE2 LYS 51 -5.312 1.260 12.360 397 HE3 LYS 51 HE3 LYS 51 -5.790 1.685 14.008 398 HZ1 LYS 51 HZ1 LYS 51 -4.678 3.774 13.803 399 HZ2 LYS 51 HZ2 LYS 51 -5.700 3.598 12.469 400 HZ3 LYS 51 HZ3 LYS 51 -4.031 3.359 12.296 401 H VAL 52 H VAL 52 -2.575 -3.713 10.826 402 HA VAL 52 HA VAL 52 -4.966 -5.292 10.049 403 HB VAL 52 HB VAL 52 -4.133 -5.184 7.671 404 HG11 VAL 52 HG11 VAL 52 -4.934 -2.896 7.220 405 HG12 VAL 52 HG12 VAL 52 -4.781 -2.502 8.935 406 HG13 VAL 52 HG13 VAL 52 -5.944 -3.718 8.409 407 HG21 VAL 52 HG21 VAL 52 -1.767 -4.620 8.089 408 HG22 VAL 52 HG22 VAL 52 -2.240 -3.047 8.730 409 HG23 VAL 52 HG23 VAL 52 -2.513 -3.423 7.026 410 H VAL 53 H VAL 53 -4.681 -7.413 9.542 411 HA VAL 53 HA VAL 53 -1.985 -8.621 9.804 412 HB VAL 53 HB VAL 53 -4.720 -9.897 10.296 413 HG11 VAL 53 HG11 VAL 53 -3.461 -11.857 11.163 414 HG12 VAL 53 HG12 VAL 53 -1.949 -11.102 10.661 415 HG13 VAL 53 HG13 VAL 53 -3.140 -11.575 9.449 416 HG21 VAL 53 HG21 VAL 53 -4.142 -8.290 12.078 417 HG22 VAL 53 HG22 VAL 53 -2.588 -9.092 12.320 418 HG23 VAL 53 HG23 VAL 53 -4.087 -9.946 12.688 419 H ILE 54 H ILE 54 -1.220 -8.807 7.727 420 HA ILE 54 HA ILE 54 -2.944 -9.794 5.555 421 HB ILE 54 HB ILE 54 -0.070 -8.756 5.523 422 HG12 ILE 54 HG12 ILE 54 -1.102 -7.065 3.865 423 HG13 ILE 54 HG13 ILE 54 -2.676 -7.688 4.341 424 HG21 ILE 54 HG21 ILE 54 -0.139 -10.613 3.932 425 HG22 ILE 54 HG22 ILE 54 -0.050 -9.087 3.052 426 HG23 ILE 54 HG23 ILE 54 -1.587 -9.950 3.170 427 HD11 ILE 54 HD11 ILE 54 -0.684 -6.323 6.147 428 HD12 ILE 54 HD12 ILE 54 -2.270 -6.933 6.630 429 HD13 ILE 54 HD13 ILE 54 -2.148 -5.614 5.466 430 H GLU 55 H GLU 55 -3.086 -11.930 5.145 431 HA GLU 55 HA GLU 55 -0.792 -13.709 5.771 432 HB2 GLU 55 HB2 GLU 55 -3.713 -14.455 5.293 433 HB3 GLU 55 HB3 GLU 55 -2.409 -15.598 5.613 434 HG2 GLU 55 HG2 GLU 55 -2.081 -14.411 7.841 435 HG3 GLU 55 HG3 GLU 55 -3.579 -13.542 7.508 436 H ARG 56 H ARG 56 0.484 -13.927 4.010 437 HA ARG 56 HA ARG 56 -0.595 -14.018 1.294 438 HB2 ARG 56 HB2 ARG 56 2.289 -14.469 2.194 439 HB3 ARG 56 HB3 ARG 56 1.729 -14.114 0.559 440 HG2 ARG 56 HG2 ARG 56 1.009 -11.858 1.302 441 HG3 ARG 56 HG3 ARG 56 1.565 -12.225 2.938 442 HD2 ARG 56 HD2 ARG 56 3.892 -12.593 1.882 443 HD3 ARG 56 HD3 ARG 56 3.226 -11.830 0.430 444 HE ARG 56 HE ARG 56 3.164 -10.457 3.044 445 HH11 ARG 56 HH11 ARG 56 4.035 -10.362 -0.296 446 HH12 ARG 56 HH12 ARG 56 4.671 -8.764 -0.177 447 HH21 ARG 56 HH21 ARG 56 3.961 -8.466 3.190 448 HH22 ARG 56 HH22 ARG 56 4.638 -7.701 1.793 449 H LYS 57 H LYS 57 -1.778 -15.847 1.101 450 HA LYS 57 HA LYS 57 -0.559 -18.495 1.705 451 HB2 LYS 57 HB2 LYS 57 -2.924 -19.357 1.793 452 HB3 LYS 57 HB3 LYS 57 -2.533 -18.196 3.048 453 HG2 LYS 57 HG2 LYS 57 -3.696 -16.820 0.748 454 HG3 LYS 57 HG3 LYS 57 -4.750 -18.134 1.261 455 HD2 LYS 57 HD2 LYS 57 -3.704 -15.913 3.067 456 HD3 LYS 57 HD3 LYS 57 -5.310 -15.956 2.335 457 HE2 LYS 57 HE2 LYS 57 -5.705 -18.142 3.580 458 HE3 LYS 57 HE3 LYS 57 -4.185 -17.849 4.432 459 HZ1 LYS 57 HZ1 LYS 57 -6.135 -17.106 5.666 460 HZ2 LYS 57 HZ2 LYS 57 -6.524 -16.017 4.437 461 HZ3 LYS 57 HZ3 LYS 57 -5.094 -15.823 5.323 462 H ASN 58 H ASN 58 -0.014 -19.715 -0.025 463 HA ASN 58 HA ASN 58 0.598 -20.154 -2.167 464 HB2 ASN 58 HB2 ASN 58 -2.337 -19.573 -2.768 465 HB3 ASN 58 HB3 ASN 58 -1.244 -20.498 -3.794 466 HD21 ASN 58 HD21 ASN 58 -3.748 -21.350 -2.656 467 HD22 ASN 58 HD22 ASN 58 -3.414 -22.706 -1.642 468 H GLY 59 H GLY 59 1.008 -17.428 -1.315 469 HA2 GLY 59 HA2 GLY 59 1.832 -15.468 -2.212 470 HA3 GLY 59 HA3 GLY 59 1.470 -16.075 -3.818 471 H LEU 60 H LEU 60 -1.337 -16.260 -1.995 472 HA LEU 60 HA LEU 60 -2.495 -13.871 -3.270 473 HB2 LEU 60 HB2 LEU 60 -3.860 -16.182 -1.820 474 HB3 LEU 60 HB3 LEU 60 -4.668 -14.923 -2.748 475 HG LEU 60 HG LEU 60 -2.791 -17.038 -3.897 476 HD11 LEU 60 HD11 LEU 60 -5.813 -16.828 -4.109 477 HD12 LEU 60 HD12 LEU 60 -4.907 -18.018 -3.170 478 HD13 LEU 60 HD13 LEU 60 -4.789 -18.016 -4.926 479 HD21 LEU 60 HD21 LEU 60 -2.665 -14.963 -5.186 480 HD22 LEU 60 HD22 LEU 60 -4.422 -14.922 -5.347 481 HD23 LEU 60 HD23 LEU 60 -3.492 -16.215 -6.109 482 H ILE 61 H ILE 61 -3.255 -12.152 -2.105 483 HA ILE 61 HA ILE 61 -2.568 -12.023 0.756 484 HB ILE 61 HB ILE 61 -3.111 -9.836 -1.296 485 HG12 ILE 61 HG12 ILE 61 -0.510 -10.705 0.051 486 HG13 ILE 61 HG13 ILE 61 -0.963 -11.053 -1.614 487 HG21 ILE 61 HG21 ILE 61 -2.377 -8.196 0.413 488 HG22 ILE 61 HG22 ILE 61 -2.307 -9.487 1.611 489 HG23 ILE 61 HG23 ILE 61 -3.853 -9.034 0.899 490 HD11 ILE 61 HD11 ILE 61 -0.882 -8.655 -2.121 491 HD12 ILE 61 HD12 ILE 61 0.651 -9.268 -1.506 492 HD13 ILE 61 HD13 ILE 61 -0.402 -8.325 -0.454 493 H GLU 62 H GLU 62 -4.177 -12.386 2.160 494 HA GLU 62 HA GLU 62 -6.813 -11.081 1.744 495 HB2 GLU 62 HB2 GLU 62 -6.112 -13.460 3.516 496 HB3 GLU 62 HB3 GLU 62 -7.642 -12.595 3.601 497 HG2 GLU 62 HG2 GLU 62 -7.979 -13.223 1.145 498 HG3 GLU 62 HG3 GLU 62 -6.597 -14.308 1.329 499 H ILE 63 H ILE 63 -7.349 -9.449 3.142 500 HA ILE 63 HA ILE 63 -5.383 -8.732 5.229 501 HB ILE 63 HB ILE 63 -7.551 -6.959 4.030 502 HG12 ILE 63 HG12 ILE 63 -4.586 -7.095 3.301 503 HG13 ILE 63 HG13 ILE 63 -5.909 -7.663 2.283 504 HG21 ILE 63 HG21 ILE 63 -6.799 -6.225 6.267 505 HG22 ILE 63 HG22 ILE 63 -6.250 -5.094 5.031 506 HG23 ILE 63 HG23 ILE 63 -5.118 -6.254 5.725 507 HD11 ILE 63 HD11 ILE 63 -5.070 -5.492 1.576 508 HD12 ILE 63 HD12 ILE 63 -5.463 -4.816 3.158 509 HD13 ILE 63 HD13 ILE 63 -6.750 -5.393 2.097 510 H TYR 64 H TYR 64 -5.913 -8.620 7.272 511 HA TYR 64 HA TYR 64 -8.689 -9.163 8.195 512 HB2 TYR 64 HB2 TYR 64 -6.114 -10.362 9.326 513 HB3 TYR 64 HB3 TYR 64 -7.706 -10.563 10.034 514 HD1 TYR 64 HD1 TYR 64 -5.603 -11.441 7.093 515 HD2 TYR 64 HD2 TYR 64 -9.220 -12.284 9.212 516 HE1 TYR 64 HE1 TYR 64 -5.926 -13.459 5.737 517 HE2 TYR 64 HE2 TYR 64 -9.543 -14.306 7.846 518 HH TYR 64 HH TYR 64 -8.850 -15.146 5.597 519 H ASN 65 H ASN 65 -8.867 -8.687 10.627 520 HA ASN 65 HA ASN 65 -7.511 -6.148 11.294 521 HB2 ASN 65 HB2 ASN 65 -10.136 -6.574 11.308 522 HB3 ASN 65 HB3 ASN 65 -9.828 -7.318 12.871 523 HD21 ASN 65 HD21 ASN 65 -11.362 -4.918 12.196 524 HD22 ASN 65 HD22 ASN 65 -10.672 -3.628 13.110 525 H GLU 66 H GLU 66 -6.816 -5.859 13.572 526 HA GLU 66 HA GLU 66 -5.006 -7.687 14.614 527 HB2 GLU 66 HB2 GLU 66 -5.085 -5.283 15.193 528 HB3 GLU 66 HB3 GLU 66 -6.593 -5.517 16.058 529 HG2 GLU 66 HG2 GLU 66 -4.821 -5.289 17.661 530 HG3 GLU 66 HG3 GLU 66 -5.392 -6.956 17.706 531 H GLY 67 H GLY 67 -5.026 -9.111 16.432 532 HA2 GLY 67 HA2 GLY 67 -6.141 -10.316 18.211 533 HA3 GLY 67 HA3 GLY 67 -7.672 -10.133 17.363 534 H HIS 68 H HIS 68 -5.563 -10.832 14.966 535 HA HIS 68 HA HIS 68 -6.439 -13.596 14.720 536 HB2 HIS 68 HB2 HIS 68 -6.388 -11.848 12.841 537 HB3 HIS 68 HB3 HIS 68 -4.637 -12.013 12.832 538 HD1 HIS 68 HD1 HIS 68 -7.794 -13.796 11.864 539 HD2 HIS 68 HD2 HIS 68 -3.689 -14.371 11.556 540 HE1 HIS 68 HE1 HIS 68 -7.501 -15.716 10.276 541 HE2 HIS 68 HE2 HIS 68 -5.017 -16.003 10.053 542 H PHE 69 H PHE 69 -3.957 -12.345 16.463 543 HA PHE 69 HA PHE 69 -2.156 -14.678 16.048 544 HB2 PHE 69 HB2 PHE 69 -1.457 -11.826 16.876 545 HB3 PHE 69 HB3 PHE 69 -0.321 -13.169 16.958 546 HD1 PHE 69 HD2 PHE 69 -0.148 -14.536 14.626 547 HD2 PHE 69 HD1 PHE 69 -1.258 -10.421 15.014 548 HE1 PHE 69 HE2 PHE 69 0.548 -14.124 12.307 549 HE2 PHE 69 HE1 PHE 69 -0.554 -10.019 12.693 550 HZ PHE 69 HZ PHE 69 0.349 -11.868 11.337 551 H ASP 70 H ASP 70 -1.113 -15.523 17.961 552 HA ASP 70 HA ASP 70 -2.539 -15.069 20.511 553 HB2 ASP 70 HB2 ASP 70 -0.729 -17.374 19.659 554 HB3 ASP 70 HB3 ASP 70 -1.545 -17.249 21.216 555 H PHE 71 H PHE 71 -1.587 -13.765 21.919 556 HA PHE 71 HA PHE 71 1.374 -13.740 22.218 557 HB2 PHE 71 HB2 PHE 71 -0.560 -11.412 22.631 558 HB3 PHE 71 HB3 PHE 71 1.169 -11.364 22.968 559 HD1 PHE 71 HD1 PHE 71 2.733 -12.007 20.932 560 HD2 PHE 71 HD2 PHE 71 -1.296 -10.633 20.528 561 HE1 PHE 71 HE1 PHE 71 3.195 -11.321 18.620 562 HE2 PHE 71 HE2 PHE 71 -0.824 -9.951 18.214 563 HZ PHE 71 HZ PHE 71 1.418 -10.297 17.255 564 H SER 72 H SER 72 2.123 -13.228 24.405 565 HA SER 72 HA SER 72 2.359 -13.675 26.591 566 HB2 SER 72 HB2 SER 72 0.470 -12.155 27.022 567 HB3 SER 72 HB3 SER 72 -0.669 -13.485 26.811 568 HG SER 72 HG SER 72 1.419 -13.548 28.736 569 H PHE 73 H PHE 73 -0.682 -15.491 25.879 570 HA PHE 73 HA PHE 73 0.280 -17.984 26.872 571 HB2 PHE 73 HB2 PHE 73 -2.157 -17.385 26.616 572 HB3 PHE 73 HB3 PHE 73 -1.973 -17.465 24.867 573 HD1 PHE 73 HD2 PHE 73 -1.336 -19.585 27.912 574 HD2 PHE 73 HD1 PHE 73 -2.595 -19.497 23.822 575 HE1 PHE 73 HE2 PHE 73 -1.846 -21.987 28.011 576 HE2 PHE 73 HE1 PHE 73 -3.104 -21.903 23.939 577 HZ PHE 73 HZ PHE 73 -2.729 -23.147 26.029 578 H GLY 74 H GLY 74 1.873 -19.167 25.943 579 HA2 GLY 74 HA2 GLY 74 3.113 -18.299 23.502 580 HA3 GLY 74 HA3 GLY 74 3.672 -19.559 24.577 581 H LEU 75 H LEU 75 1.252 -18.926 22.020 582 HA LEU 75 HA LEU 75 1.594 -21.705 21.040 583 HB2 LEU 75 HB2 LEU 75 -0.448 -19.573 20.332 584 HB3 LEU 75 HB3 LEU 75 -0.299 -21.093 19.465 585 HG LEU 75 HG LEU 75 -1.045 -20.801 22.402 586 HD11 LEU 75 HD11 LEU 75 -3.274 -21.562 21.749 587 HD12 LEU 75 HD12 LEU 75 -2.795 -21.592 20.050 588 HD13 LEU 75 HD13 LEU 75 -2.857 -20.060 20.927 589 HD21 LEU 75 HD21 LEU 75 -1.510 -23.219 22.340 590 HD22 LEU 75 HD22 LEU 75 0.190 -22.871 22.038 591 HD23 LEU 75 HD23 LEU 75 -0.871 -23.305 20.694 592 H GLU 76 H GLU 76 3.654 -21.453 20.165 593 HA GLU 76 HA GLU 76 4.095 -19.608 17.938 594 HB2 GLU 76 HB2 GLU 76 5.991 -19.964 19.400 595 HB3 GLU 76 HB3 GLU 76 5.844 -21.709 19.267 596 HG2 GLU 76 HG2 GLU 76 7.757 -20.965 17.982 597 HG3 GLU 76 HG3 GLU 76 6.531 -21.593 16.893 598 H HIS 77 H HIS 77 3.733 -20.133 15.876 599 HA HIS 77 HA HIS 77 2.702 -22.703 15.073 600 HB2 HIS 77 HB2 HIS 77 1.855 -20.606 14.064 601 HB3 HIS 77 HB3 HIS 77 3.454 -20.249 13.418 602 HD1 HIS 77 HD1 HIS 77 0.556 -22.627 12.978 603 HD2 HIS 77 HD2 HIS 77 4.012 -21.476 10.980 604 HE1 HIS 77 HE1 HIS 77 0.400 -23.682 10.712 605 HE2 HIS 77 HE2 HIS 77 2.574 -23.115 9.588 606 H HIS 78 H HIS 78 4.121 -24.360 15.005 607 HA HIS 78 HA HIS 78 6.903 -24.162 14.626 608 HB2 HIS 78 HB2 HIS 78 5.731 -26.064 15.789 609 HB3 HIS 78 HB3 HIS 78 5.195 -26.652 14.219 610 HD1 HIS 78 HD1 HIS 78 6.726 -28.327 13.152 611 HD2 HIS 78 HD2 HIS 78 8.701 -25.988 15.965 612 HE1 HIS 78 HE1 HIS 78 9.053 -29.255 13.281 613 HE2 HIS 78 HE2 HIS 78 10.147 -27.964 15.141 614 H HIS 79 H HIS 79 7.895 -23.567 12.818 615 HA HIS 79 HA HIS 79 6.777 -23.727 10.176 616 HB2 HIS 79 HB2 HIS 79 9.615 -23.059 11.075 617 HB3 HIS 79 HB3 HIS 79 8.981 -22.805 9.451 618 HD1 HIS 79 HD1 HIS 79 7.694 -20.668 9.035 619 HD2 HIS 79 HD2 HIS 79 8.513 -21.265 13.065 620 HE1 HIS 79 HE1 HIS 79 7.069 -18.523 10.170 621 HE2 HIS 79 HE2 HIS 79 7.415 -18.969 12.618 622 H HIS 80 H HIS 80 7.227 -25.166 8.535 623 HA HIS 80 HA HIS 80 8.452 -27.725 9.215 624 HB2 HIS 80 HB2 HIS 80 6.940 -26.731 6.767 625 HB3 HIS 80 HB3 HIS 80 7.680 -28.327 6.832 626 HD1 HIS 80 HD1 HIS 80 4.498 -27.146 6.976 627 HD2 HIS 80 HD2 HIS 80 6.686 -29.444 9.650 628 HE1 HIS 80 HE1 HIS 80 2.794 -28.356 8.361 629 HE2 HIS 80 HE2 HIS 80 4.148 -29.892 9.822 630 H HIS 81 H HIS 81 10.257 -28.639 8.244 631 HA HIS 81 HA HIS 81 12.282 -26.937 7.149 632 HB2 HIS 81 HB2 HIS 81 13.596 -29.065 6.847 633 HB3 HIS 81 HB3 HIS 81 12.993 -28.826 8.478 634 HD1 HIS 81 HD1 HIS 81 11.567 -30.631 9.459 635 HD2 HIS 81 HD2 HIS 81 12.213 -31.171 5.396 636 HE1 HIS 81 HE1 HIS 81 10.699 -32.919 8.947 637 HE2 HIS 81 HE2 HIS 81 11.293 -33.301 6.534 638 H HIS 82 H HIS 82 13.018 -26.710 5.053 639 HA HIS 82 HA HIS 82 11.735 -28.043 2.800 640 HB2 HIS 82 HB2 HIS 82 10.947 -25.856 1.793 641 HB3 HIS 82 HB3 HIS 82 10.049 -26.348 3.223 642 HD1 HIS 82 HD1 HIS 82 10.351 -24.926 5.373 643 HD2 HIS 82 HD2 HIS 82 12.390 -23.452 2.074 644 HE1 HIS 82 HE1 HIS 82 11.047 -22.605 6.005 645 HE2 HIS 82 HE2 HIS 82 12.156 -21.689 3.943 646 H1 MET 1 H MET 1 5.493 -12.564 11.947 647 HA MET 1 HA MET 1 7.006 -13.094 10.301 648 HB2 MET 1 HB2 MET 1 5.411 -14.997 10.261 649 HB3 MET 1 HB3 MET 1 4.444 -14.169 9.049 650 HG2 MET 1 HG2 MET 1 6.266 -14.358 7.431 651 HG3 MET 1 HG3 MET 1 7.302 -15.095 8.655 652 HE1 MET 1 HE1 MET 1 6.576 -18.089 6.214 653 HE2 MET 1 HE2 MET 1 7.824 -17.122 6.997 654 HE3 MET 1 HE3 MET 1 6.790 -16.396 5.764 655 H ASP 2 H ASP 2 4.145 -11.438 9.051 656 HA ASP 2 HA ASP 2 5.117 -10.971 6.428 657 HB2 ASP 2 HB2 ASP 2 2.637 -10.908 7.443 658 HB3 ASP 2 HB3 ASP 2 2.974 -9.191 7.607 659 H LYS 3 H LYS 3 5.342 -9.048 9.401 660 HA LYS 3 HA LYS 3 6.172 -6.606 8.199 661 HB2 LYS 3 HB2 LYS 3 5.323 -6.533 10.463 662 HB3 LYS 3 HB3 LYS 3 6.581 -7.625 11.029 663 HG2 LYS 3 HG2 LYS 3 8.299 -5.946 10.670 664 HG3 LYS 3 HG3 LYS 3 7.143 -4.854 9.909 665 HD2 LYS 3 HD2 LYS 3 6.976 -5.760 12.808 666 HD3 LYS 3 HD3 LYS 3 7.776 -4.276 12.288 667 HE2 LYS 3 HE2 LYS 3 5.557 -3.561 11.270 668 HE3 LYS 3 HE3 LYS 3 4.824 -4.955 12.073 669 HZ1 LYS 3 HZ1 LYS 3 6.304 -2.780 13.444 670 HZ2 LYS 3 HZ2 LYS 3 5.496 -4.070 14.181 671 HZ3 LYS 3 HZ3 LYS 3 4.621 -2.897 13.340 672 H LYS 4 H LYS 4 8.083 -9.426 9.333 673 HA LYS 4 HA LYS 4 10.690 -8.460 8.939 674 HB2 LYS 4 HB2 LYS 4 9.647 -11.240 8.250 675 HB3 LYS 4 HB3 LYS 4 11.350 -10.809 8.386 676 HG2 LYS 4 HG2 LYS 4 10.967 -10.284 10.809 677 HG3 LYS 4 HG3 LYS 4 9.304 -10.870 10.633 678 HD2 LYS 4 HD2 LYS 4 10.189 -13.097 9.923 679 HD3 LYS 4 HD3 LYS 4 11.836 -12.500 10.135 680 HE2 LYS 4 HE2 LYS 4 9.762 -12.806 12.333 681 HE3 LYS 4 HE3 LYS 4 11.128 -13.881 12.040 682 HZ1 LYS 4 HZ1 LYS 4 12.612 -12.001 12.483 683 HZ2 LYS 4 HZ2 LYS 4 11.642 -12.371 13.813 684 HZ3 LYS 4 HZ3 LYS 4 11.282 -11.028 12.853 685 H ILE 5 H ILE 5 8.364 -9.748 6.625 686 HA ILE 5 HA ILE 5 9.961 -9.691 4.290 687 HB ILE 5 HB ILE 5 6.919 -9.494 4.456 688 HG12 ILE 5 HG12 ILE 5 8.619 -12.029 4.263 689 HG13 ILE 5 HG13 ILE 5 7.872 -11.452 5.748 690 HG21 ILE 5 HG21 ILE 5 8.705 -10.458 2.188 691 HG22 ILE 5 HG22 ILE 5 7.763 -8.966 2.214 692 HG23 ILE 5 HG23 ILE 5 6.938 -10.526 2.197 693 HD11 ILE 5 HD11 ILE 5 6.581 -13.240 4.794 694 HD12 ILE 5 HD12 ILE 5 6.425 -12.372 3.264 695 HD13 ILE 5 HD13 ILE 5 5.654 -11.742 4.724 696 H VAL 6 H VAL 6 7.523 -7.316 5.537 697 HA VAL 6 HA VAL 6 7.700 -5.584 3.266 698 HB VAL 6 HB VAL 6 6.228 -4.051 4.388 699 HG11 VAL 6 HG11 VAL 6 4.393 -5.496 5.135 700 HG12 VAL 6 HG12 VAL 6 5.507 -6.851 5.319 701 HG13 VAL 6 HG13 VAL 6 5.197 -6.175 3.720 702 HG21 VAL 6 HG21 VAL 6 6.904 -5.411 7.038 703 HG22 VAL 6 HG22 VAL 6 5.691 -4.145 6.823 704 HG23 VAL 6 HG23 VAL 6 7.394 -3.789 6.545 705 H GLY 7 H GLY 7 9.400 -5.645 6.367 706 HA2 GLY 7 HA2 GLY 7 10.696 -3.109 6.190 707 HA3 GLY 7 HA3 GLY 7 11.204 -4.472 7.180 708 H ALA 8 H ALA 8 11.730 -6.402 5.316 709 HA ALA 8 HA ALA 8 14.287 -5.714 4.255 710 HB1 ALA 8 HB1 ALA 8 12.565 -8.163 3.708 711 HB2 ALA 8 HB2 ALA 8 13.727 -7.987 5.026 712 HB3 ALA 8 HB3 ALA 8 14.297 -8.006 3.358 713 H ASN 9 H ASN 9 11.066 -5.773 2.862 714 HA ASN 9 HA ASN 9 11.971 -5.732 0.088 715 HB2 ASN 9 HB2 ASN 9 9.826 -6.903 1.159 716 HB3 ASN 9 HB3 ASN 9 9.077 -5.338 0.883 717 HD21 ASN 9 HD21 ASN 9 8.476 -7.908 -0.314 718 HD22 ASN 9 HD22 ASN 9 8.647 -7.708 -2.015 719 H ALA 10 H ALA 10 10.897 -3.420 2.490 720 HA ALA 10 HA ALA 10 9.952 -1.340 0.815 721 HB1 ALA 10 HB1 ALA 10 9.440 -1.469 3.213 722 HB2 ALA 10 HB2 ALA 10 10.148 0.094 2.795 723 HB3 ALA 10 HB3 ALA 10 11.129 -1.133 3.602 724 H GLY 11 H GLY 11 13.185 -2.191 1.913 725 HA2 GLY 11 HA2 GLY 11 14.580 0.146 1.078 726 HA3 GLY 11 HA3 GLY 11 15.278 -1.456 1.291 727 H LYS 12 H LYS 12 13.753 -2.890 -0.584 728 HA LYS 12 HA LYS 12 15.273 -2.483 -2.945 729 HB2 LYS 12 HB2 LYS 12 14.329 -4.681 -2.056 730 HB3 LYS 12 HB3 LYS 12 12.754 -4.182 -2.665 731 HG2 LYS 12 HG2 LYS 12 13.624 -4.177 -4.970 732 HG3 LYS 12 HG3 LYS 12 15.242 -4.574 -4.373 733 HD2 LYS 12 HD2 LYS 12 14.179 -6.705 -3.375 734 HD3 LYS 12 HD3 LYS 12 12.755 -6.323 -4.349 735 HE2 LYS 12 HE2 LYS 12 15.558 -6.839 -5.405 736 HE3 LYS 12 HE3 LYS 12 14.200 -7.959 -5.485 737 HZ1 LYS 12 HZ1 LYS 12 14.557 -6.792 -7.578 738 HZ2 LYS 12 HZ2 LYS 12 14.306 -5.304 -6.815 739 HZ3 LYS 12 HZ3 LYS 12 13.047 -6.422 -6.921 740 H VAL 13 H VAL 13 11.818 -1.885 -2.209 741 HA VAL 13 HA VAL 13 11.150 -0.868 -4.788 742 HB VAL 13 HB VAL 13 9.008 -0.128 -3.826 743 HG11 VAL 13 HG11 VAL 13 8.160 -2.320 -3.060 744 HG12 VAL 13 HG12 VAL 13 9.816 -2.887 -2.829 745 HG13 VAL 13 HG13 VAL 13 9.234 -2.498 -4.449 746 HG21 VAL 13 HG21 VAL 13 10.164 -0.910 -1.123 747 HG22 VAL 13 HG22 VAL 13 8.480 -0.471 -1.424 748 HG23 VAL 13 HG23 VAL 13 9.757 0.725 -1.648 749 H TRP 14 H TRP 14 12.316 0.672 -1.857 750 HA TRP 14 HA TRP 14 12.012 3.384 -2.741 751 HB2 TRP 14 HB2 TRP 14 12.306 2.659 -0.318 752 HB3 TRP 14 HB3 TRP 14 14.013 2.415 -0.660 753 HD1 TRP 14 HD1 TRP 14 11.392 5.304 -0.552 754 HE1 TRP 14 HE1 TRP 14 12.644 7.505 -0.119 755 HE3 TRP 14 HE3 TRP 14 16.170 3.547 -0.689 756 HZ2 TRP 14 HZ2 TRP 14 15.315 8.387 0.158 757 HZ3 TRP 14 HZ3 TRP 14 18.039 5.122 -0.320 758 HH2 TRP 14 HH2 TRP 14 17.614 7.499 0.094 759 H HIS 15 H HIS 15 14.621 1.006 -3.070 760 HA HIS 15 HA HIS 15 16.648 2.799 -3.999 761 HB2 HIS 15 HB2 HIS 15 16.389 -0.220 -4.228 762 HB3 HIS 15 HB3 HIS 15 17.798 0.659 -4.819 763 HD1 HIS 15 HD1 HIS 15 18.272 -1.393 -2.693 764 HD2 HIS 15 HD2 HIS 15 17.362 2.552 -1.768 765 HE1 HIS 15 HE1 HIS 15 19.134 -1.040 -0.365 766 HE2 HIS 15 HE2 HIS 15 18.664 1.382 0.132 767 H ALA 16 H ALA 16 14.132 0.978 -5.672 768 HA ALA 16 HA ALA 16 14.942 1.474 -8.352 769 HB1 ALA 16 HB1 ALA 16 12.155 1.035 -7.248 770 HB2 ALA 16 HB2 ALA 16 13.275 -0.229 -7.751 771 HB3 ALA 16 HB3 ALA 16 12.625 0.895 -8.946 772 H LEU 17 H LEU 17 13.060 3.398 -6.049 773 HA LEU 17 HA LEU 17 12.179 5.510 -7.706 774 HB2 LEU 17 HB2 LEU 17 12.929 5.538 -4.763 775 HB3 LEU 17 HB3 LEU 17 12.045 6.825 -5.570 776 HG LEU 17 HG LEU 17 11.023 3.969 -5.284 777 HD11 LEU 17 HD11 LEU 17 10.272 6.418 -3.651 778 HD12 LEU 17 HD12 LEU 17 11.212 5.033 -3.077 779 HD13 LEU 17 HD13 LEU 17 9.524 4.821 -3.545 780 HD21 LEU 17 HD21 LEU 17 8.867 4.915 -5.985 781 HD22 LEU 17 HD22 LEU 17 10.095 5.143 -7.227 782 HD23 LEU 17 HD23 LEU 17 9.617 6.500 -6.201 783 H ASN 18 H ASN 18 15.316 4.933 -6.191 784 HA ASN 18 HA ASN 18 16.417 7.550 -6.479 785 HB2 ASN 18 HB2 ASN 18 17.724 4.837 -6.026 786 HB3 ASN 18 HB3 ASN 18 18.645 6.339 -6.090 787 HD21 ASN 18 HD21 ASN 18 16.221 4.576 -4.285 788 HD22 ASN 18 HD22 ASN 18 16.373 5.487 -2.836 789 H GLU 19 H GLU 19 15.723 5.280 -8.895 790 HA GLU 19 HA GLU 19 17.757 6.092 -10.787 791 HB2 GLU 19 HB2 GLU 19 16.671 3.891 -10.989 792 HB3 GLU 19 HB3 GLU 19 15.100 4.659 -11.189 793 HG2 GLU 19 HG2 GLU 19 15.896 5.688 -13.314 794 HG3 GLU 19 HG3 GLU 19 17.441 4.862 -13.120 795 H ALA 20 H ALA 20 14.201 6.607 -10.628 796 HA ALA 20 HA ALA 20 14.348 9.386 -11.375 797 HB1 ALA 20 HB1 ALA 20 13.129 9.210 -13.513 798 HB2 ALA 20 HB2 ALA 20 13.161 7.446 -13.405 799 HB3 ALA 20 HB3 ALA 20 14.666 8.347 -13.601 800 H ASP 21 H ASP 21 12.655 10.404 -10.482 801 HA ASP 21 HA ASP 21 10.471 9.083 -9.192 802 HB2 ASP 21 HB2 ASP 21 10.899 12.039 -9.787 803 HB3 ASP 21 HB3 ASP 21 9.710 11.382 -8.663 804 H GLY 22 H GLY 22 8.161 10.088 -9.522 805 HA2 GLY 22 HA2 GLY 22 6.285 10.458 -10.829 806 HA3 GLY 22 HA3 GLY 22 7.333 10.783 -12.204 807 H ILE 23 H ILE 23 6.528 8.042 -10.094 808 HA ILE 23 HA ILE 23 6.413 6.233 -12.426 809 HB ILE 23 HB ILE 23 8.686 6.121 -11.614 810 HG12 ILE 23 HG12 ILE 23 7.173 3.665 -10.636 811 HG13 ILE 23 HG13 ILE 23 7.672 3.967 -12.297 812 HG21 ILE 23 HG21 ILE 23 8.389 7.042 -9.359 813 HG22 ILE 23 HG22 ILE 23 9.330 5.550 -9.317 814 HG23 ILE 23 HG23 ILE 23 7.633 5.535 -8.831 815 HD11 ILE 23 HD11 ILE 23 10.034 3.906 -11.553 816 HD12 ILE 23 HD12 ILE 23 9.159 2.402 -11.275 817 HD13 ILE 23 HD13 ILE 23 9.475 3.493 -9.928 818 H SER 24 H SER 24 4.583 5.132 -12.406 819 HA SER 24 HA SER 24 2.728 5.051 -10.252 820 HB2 SER 24 HB2 SER 24 2.802 3.416 -12.823 821 HB3 SER 24 HB3 SER 24 1.409 3.547 -11.749 822 HG SER 24 HG SER 24 1.737 5.943 -12.166 823 H ILE 25 H ILE 25 1.774 3.002 -9.333 824 HA ILE 25 HA ILE 25 3.695 1.455 -7.977 825 HB ILE 25 HB ILE 25 0.746 0.760 -8.358 826 HG12 ILE 25 HG12 ILE 25 2.112 2.356 -6.139 827 HG13 ILE 25 HG13 ILE 25 1.026 3.005 -7.359 828 HG21 ILE 25 HG21 ILE 25 0.971 -0.588 -6.296 829 HG22 ILE 25 HG22 ILE 25 2.699 -0.236 -6.247 830 HG23 ILE 25 HG23 ILE 25 2.029 -1.185 -7.576 831 HD11 ILE 25 HD11 ILE 25 -0.102 2.809 -5.244 832 HD12 ILE 25 HD12 ILE 25 0.284 1.093 -5.141 833 HD13 ILE 25 HD13 ILE 25 -0.814 1.679 -6.393 834 HA PRO 26 HA PRO 26 2.838 -2.241 -11.079 835 HB2 PRO 26 HB2 PRO 26 1.829 -1.696 -13.584 836 HB3 PRO 26 HB3 PRO 26 0.799 -2.079 -12.198 837 HG2 PRO 26 HG2 PRO 26 1.559 0.633 -13.291 838 HG3 PRO 26 HG3 PRO 26 -0.055 0.020 -12.862 839 HD2 PRO 26 HD2 PRO 26 1.317 1.586 -11.153 840 HD3 PRO 26 HD3 PRO 26 0.337 0.230 -10.548 841 H GLU 27 H GLU 27 3.982 0.883 -12.216 842 HA GLU 27 HA GLU 27 5.887 -0.029 -14.183 843 HB2 GLU 27 HB2 GLU 27 5.688 2.544 -12.548 844 HB3 GLU 27 HB3 GLU 27 6.887 2.294 -13.815 845 HG2 GLU 27 HG2 GLU 27 3.886 2.246 -14.260 846 HG3 GLU 27 HG3 GLU 27 4.910 3.663 -14.504 847 H LEU 28 H LEU 28 6.056 1.126 -10.902 848 HA LEU 28 HA LEU 28 8.685 0.590 -10.166 849 HB2 LEU 28 HB2 LEU 28 7.111 2.078 -9.009 850 HB3 LEU 28 HB3 LEU 28 6.088 0.714 -8.593 851 HG LEU 28 HG LEU 28 7.875 -0.144 -7.103 852 HD11 LEU 28 HD11 LEU 28 9.772 1.299 -6.474 853 HD12 LEU 28 HD12 LEU 28 9.326 2.443 -7.744 854 HD13 LEU 28 HD13 LEU 28 9.858 0.811 -8.167 855 HD21 LEU 28 HD21 LEU 28 6.966 2.692 -6.528 856 HD22 LEU 28 HD22 LEU 28 7.520 1.521 -5.325 857 HD23 LEU 28 HD23 LEU 28 6.037 1.216 -6.236 858 H ALA 29 H ALA 29 5.788 -1.453 -10.053 859 HA ALA 29 HA ALA 29 6.668 -3.587 -8.468 860 HB1 ALA 29 HB1 ALA 29 4.674 -3.705 -10.756 861 HB2 ALA 29 HB2 ALA 29 4.310 -3.233 -9.095 862 HB3 ALA 29 HB3 ALA 29 4.830 -4.882 -9.443 863 H ARG 30 H ARG 30 6.952 -3.157 -11.987 864 HA ARG 30 HA ARG 30 8.027 -5.749 -12.547 865 HB2 ARG 30 HB2 ARG 30 8.224 -3.224 -14.240 866 HB3 ARG 30 HB3 ARG 30 8.480 -4.880 -14.796 867 HG2 ARG 30 HG2 ARG 30 6.098 -5.397 -14.214 868 HG3 ARG 30 HG3 ARG 30 5.867 -3.697 -13.798 869 HD2 ARG 30 HD2 ARG 30 6.522 -3.121 -16.172 870 HD3 ARG 30 HD3 ARG 30 6.525 -4.855 -16.528 871 HE ARG 30 HE ARG 30 4.117 -3.470 -15.507 872 HH11 ARG 30 HH11 ARG 30 5.554 -5.531 -17.906 873 HH12 ARG 30 HH12 ARG 30 4.047 -5.810 -18.700 874 HH21 ARG 30 HH21 ARG 30 2.232 -3.834 -16.548 875 HH22 ARG 30 HH22 ARG 30 2.187 -4.856 -17.939 876 H LYS 31 H LYS 31 9.501 -2.584 -11.904 877 HA LYS 31 HA LYS 31 12.224 -3.237 -12.385 878 HB2 LYS 31 HB2 LYS 31 11.047 -1.211 -10.431 879 HB3 LYS 31 HB3 LYS 31 12.733 -1.257 -10.947 880 HG2 LYS 31 HG2 LYS 31 12.025 -0.760 -13.269 881 HG3 LYS 31 HG3 LYS 31 10.340 -0.713 -12.735 882 HD2 LYS 31 HD2 LYS 31 11.182 1.565 -12.901 883 HD3 LYS 31 HD3 LYS 31 10.901 1.179 -11.204 884 HE2 LYS 31 HE2 LYS 31 12.998 2.404 -11.432 885 HE3 LYS 31 HE3 LYS 31 13.347 0.749 -10.931 886 HZ1 LYS 31 HZ1 LYS 31 13.888 0.220 -13.226 887 HZ2 LYS 31 HZ2 LYS 31 14.844 1.491 -12.660 888 HZ3 LYS 31 HZ3 LYS 31 13.549 1.811 -13.698 889 H VAL 32 H VAL 32 10.212 -3.406 -9.448 890 HA VAL 32 HA VAL 32 12.420 -4.403 -7.801 891 HB VAL 32 HB VAL 32 10.957 -4.131 -5.898 892 HG11 VAL 32 HG11 VAL 32 12.027 -2.102 -6.736 893 HG12 VAL 32 HG12 VAL 32 10.432 -1.705 -6.097 894 HG13 VAL 32 HG13 VAL 32 10.680 -1.802 -7.841 895 HG21 VAL 32 HG21 VAL 32 8.684 -3.564 -7.850 896 HG22 VAL 32 HG22 VAL 32 8.588 -3.415 -6.093 897 HG23 VAL 32 HG23 VAL 32 8.844 -4.995 -6.830 898 H ASN 33 H ASN 33 10.466 -5.887 -9.929 899 HA ASN 33 HA ASN 33 10.218 -8.052 -10.513 900 HB2 ASN 33 HB2 ASN 33 11.878 -8.734 -8.044 901 HB3 ASN 33 HB3 ASN 33 11.545 -9.815 -9.392 902 HD21 ASN 33 HD21 ASN 33 12.605 -9.444 -11.380 903 HD22 ASN 33 HD22 ASN 33 14.001 -8.443 -11.491 904 H LEU 34 H LEU 34 8.375 -6.710 -8.451 905 HA LEU 34 HA LEU 34 7.085 -9.108 -7.254 906 HB2 LEU 34 HB2 LEU 34 6.711 -6.186 -6.493 907 HB3 LEU 34 HB3 LEU 34 6.027 -7.574 -5.663 908 HG LEU 34 HG LEU 34 8.991 -6.884 -5.778 909 HD11 LEU 34 HD11 LEU 34 6.992 -6.576 -3.508 910 HD12 LEU 34 HD12 LEU 34 7.687 -5.265 -4.467 911 HD13 LEU 34 HD13 LEU 34 8.723 -6.237 -3.429 912 HD21 LEU 34 HD21 LEU 34 9.274 -8.651 -4.081 913 HD22 LEU 34 HD22 LEU 34 8.621 -9.315 -5.577 914 HD23 LEU 34 HD23 LEU 34 7.558 -9.053 -4.193 915 H SER 35 H SER 35 4.667 -8.874 -6.980 916 HA SER 35 HA SER 35 3.259 -7.872 -9.323 917 HB2 SER 35 HB2 SER 35 2.203 -9.117 -6.746 918 HB3 SER 35 HB3 SER 35 1.238 -8.789 -8.187 919 HG SER 35 HG SER 35 2.393 -10.329 -9.301 920 H VAL 36 H VAL 36 1.347 -6.411 -9.067 921 HA VAL 36 HA VAL 36 2.086 -3.871 -8.189 922 HB VAL 36 HB VAL 36 -0.750 -4.889 -8.682 923 HG11 VAL 36 HG11 VAL 36 -1.341 -2.528 -9.198 924 HG12 VAL 36 HG12 VAL 36 0.278 -2.019 -8.713 925 HG13 VAL 36 HG13 VAL 36 -0.819 -2.719 -7.521 926 HG21 VAL 36 HG21 VAL 36 0.719 -5.309 -10.608 927 HG22 VAL 36 HG22 VAL 36 1.216 -3.616 -10.624 928 HG23 VAL 36 HG23 VAL 36 -0.456 -4.049 -10.993 929 H GLU 37 H GLU 37 -0.237 -6.088 -6.596 930 HA GLU 37 HA GLU 37 -0.948 -4.501 -4.374 931 HB2 GLU 37 HB2 GLU 37 -0.804 -7.540 -4.545 932 HB3 GLU 37 HB3 GLU 37 -1.705 -6.633 -3.332 933 HG2 GLU 37 HG2 GLU 37 -3.236 -5.796 -5.009 934 HG3 GLU 37 HG3 GLU 37 -2.263 -6.486 -6.309 935 H SER 38 H SER 38 1.575 -7.017 -4.639 936 HA SER 38 HA SER 38 2.543 -6.961 -1.984 937 HB2 SER 38 HB2 SER 38 2.992 -8.825 -3.569 938 HB3 SER 38 HB3 SER 38 4.041 -7.764 -4.510 939 HG SER 38 HG SER 38 4.984 -9.252 -2.818 940 H THR 39 H THR 39 3.488 -5.112 -4.850 941 HA THR 39 HA THR 39 5.784 -3.813 -3.769 942 HB THR 39 HB THR 39 4.003 -2.980 -6.101 943 HG1 THR 39 HG1 THR 39 6.422 -4.486 -5.972 944 HG21 THR 39 HG21 THR 39 6.823 -2.051 -5.416 945 HG22 THR 39 HG22 THR 39 5.365 -1.056 -5.345 946 HG23 THR 39 HG23 THR 39 5.946 -1.663 -6.897 947 H ALA 40 H ALA 40 2.406 -2.668 -4.241 948 HA ALA 40 HA ALA 40 2.599 -0.074 -3.217 949 HB1 ALA 40 HB1 ALA 40 0.217 -1.959 -3.052 950 HB2 ALA 40 HB2 ALA 40 0.630 -0.942 -4.431 951 HB3 ALA 40 HB3 ALA 40 0.154 -0.197 -2.905 952 H LEU 41 H LEU 41 1.845 -3.081 -1.509 953 HA LEU 41 HA LEU 41 1.478 -2.028 1.096 954 HB2 LEU 41 HB2 LEU 41 0.537 -4.148 0.344 955 HB3 LEU 41 HB3 LEU 41 2.125 -4.810 0.057 956 HG LEU 41 HG LEU 41 0.720 -5.599 2.131 957 HD11 LEU 41 HD11 LEU 41 2.986 -6.340 1.671 958 HD12 LEU 41 HD12 LEU 41 2.722 -6.108 3.397 959 HD13 LEU 41 HD13 LEU 41 3.639 -4.910 2.476 960 HD21 LEU 41 HD21 LEU 41 1.030 -4.392 4.197 961 HD22 LEU 41 HD22 LEU 41 0.247 -3.331 3.026 962 HD23 LEU 41 HD23 LEU 41 1.970 -3.136 3.384 963 H ALA 42 H ALA 42 4.391 -3.226 -0.599 964 HA ALA 42 HA ALA 42 6.192 -3.099 1.614 965 HB1 ALA 42 HB1 ALA 42 6.832 -2.894 -1.350 966 HB2 ALA 42 HB2 ALA 42 6.686 -4.392 -0.429 967 HB3 ALA 42 HB3 ALA 42 7.984 -3.257 -0.058 968 H VAL 43 H VAL 43 5.313 -0.694 -0.879 969 HA VAL 43 HA VAL 43 7.118 1.356 -0.079 970 HB VAL 43 HB VAL 43 4.463 1.753 -1.535 971 HG11 VAL 43 HG11 VAL 43 6.977 3.476 -1.533 972 HG12 VAL 43 HG12 VAL 43 5.450 3.869 -0.739 973 HG13 VAL 43 HG13 VAL 43 5.529 3.772 -2.499 974 HG21 VAL 43 HG21 VAL 43 5.720 1.563 -3.650 975 HG22 VAL 43 HG22 VAL 43 5.826 0.068 -2.723 976 HG23 VAL 43 HG23 VAL 43 7.192 1.181 -2.756 977 H GLY 44 H GLY 44 3.903 0.455 1.051 978 HA2 GLY 44 HA2 GLY 44 3.140 2.650 2.596 979 HA3 GLY 44 HA3 GLY 44 2.747 0.980 2.972 980 H TRP 45 H TRP 45 5.615 0.235 3.339 981 HA TRP 45 HA TRP 45 5.987 0.956 6.113 982 HB2 TRP 45 HB2 TRP 45 6.583 -1.291 5.186 983 HB3 TRP 45 HB3 TRP 45 7.872 -0.550 4.247 984 HD1 TRP 45 HD1 TRP 45 10.202 -0.267 5.477 985 HE1 TRP 45 HE1 TRP 45 11.059 -0.780 7.842 986 HE3 TRP 45 HE3 TRP 45 5.728 -1.241 7.784 987 HZ2 TRP 45 HZ2 TRP 45 10.001 -1.498 10.349 988 HZ3 TRP 45 HZ3 TRP 45 5.743 -1.822 10.178 989 HH2 TRP 45 HH2 TRP 45 7.839 -1.948 11.434 990 H LEU 46 H LEU 46 7.236 2.167 3.068 991 HA LEU 46 HA LEU 46 9.371 3.792 4.103 992 HB2 LEU 46 HB2 LEU 46 7.782 4.047 1.521 993 HB3 LEU 46 HB3 LEU 46 9.268 4.921 1.877 994 HG LEU 46 HG LEU 46 9.052 1.890 1.647 995 HD11 LEU 46 HD11 LEU 46 10.239 2.132 -0.488 996 HD12 LEU 46 HD12 LEU 46 10.147 3.889 -0.356 997 HD13 LEU 46 HD13 LEU 46 8.669 2.935 -0.523 998 HD21 LEU 46 HD21 LEU 46 11.492 3.680 1.953 999 HD22 LEU 46 HD22 LEU 46 11.520 1.936 1.681 1000 HD23 LEU 46 HD23 LEU 46 10.839 2.580 3.170 1001 H ALA 47 H ALA 47 5.933 4.383 3.379 1002 HA ALA 47 HA ALA 47 5.678 7.083 3.995 1003 HB1 ALA 47 HB1 ALA 47 3.673 4.881 4.581 1004 HB2 ALA 47 HB2 ALA 47 3.852 5.731 3.047 1005 HB3 ALA 47 HB3 ALA 47 3.306 6.608 4.479 1006 H ARG 48 H ARG 48 5.828 4.335 6.237 1007 HA ARG 48 HA ARG 48 5.455 5.531 8.729 1008 HB2 ARG 48 HB2 ARG 48 5.735 3.156 8.650 1009 HB3 ARG 48 HB3 ARG 48 7.258 3.286 7.788 1010 HG2 ARG 48 HG2 ARG 48 8.309 4.224 9.867 1011 HG3 ARG 48 HG3 ARG 48 6.791 3.929 10.717 1012 HD2 ARG 48 HD2 ARG 48 7.005 1.529 10.362 1013 HD3 ARG 48 HD3 ARG 48 8.422 1.765 9.329 1014 HE ARG 48 HE ARG 48 8.333 2.277 12.250 1015 HH11 ARG 48 HH11 ARG 48 10.187 1.482 9.419 1016 HH12 ARG 48 HH12 ARG 48 11.626 1.183 10.322 1017 HH21 ARG 48 HH21 ARG 48 10.194 1.930 13.367 1018 HH22 ARG 48 HH22 ARG 48 11.632 1.450 12.542 1019 H GLU 49 H GLU 49 8.485 5.287 6.857 1020 HA GLU 49 HA GLU 49 9.971 6.978 8.705 1021 HB2 GLU 49 HB2 GLU 49 10.820 5.643 6.107 1022 HB3 GLU 49 HB3 GLU 49 11.898 6.500 7.205 1023 HG2 GLU 49 HG2 GLU 49 11.385 4.825 8.980 1024 HG3 GLU 49 HG3 GLU 49 10.373 3.945 7.832 1025 H ASN 50 H ASN 50 7.883 7.639 6.227 1026 HA ASN 50 HA ASN 50 7.245 9.505 5.131 1027 HB2 ASN 50 HB2 ASN 50 9.288 11.015 6.814 1028 HB3 ASN 50 HB3 ASN 50 7.900 11.717 5.989 1029 HD21 ASN 50 HD21 ASN 50 8.535 11.870 8.808 1030 HD22 ASN 50 HD22 ASN 50 7.214 11.152 9.650 1031 H LYS 51 H LYS 51 9.592 7.919 4.074 1032 HA LYS 51 HA LYS 51 11.396 9.873 2.851 1033 HB2 LYS 51 HB2 LYS 51 11.335 6.836 2.719 1034 HB3 LYS 51 HB3 LYS 51 12.585 7.833 1.973 1035 HG2 LYS 51 HG2 LYS 51 13.238 8.681 4.199 1036 HG3 LYS 51 HG3 LYS 51 11.987 7.686 4.953 1037 HD2 LYS 51 HD2 LYS 51 14.414 6.667 3.409 1038 HD3 LYS 51 HD3 LYS 51 14.203 6.630 5.161 1039 HE2 LYS 51 HE2 LYS 51 12.169 5.147 4.777 1040 HE3 LYS 51 HE3 LYS 51 12.645 5.057 3.080 1041 HZ1 LYS 51 HZ1 LYS 51 14.348 4.214 5.363 1042 HZ2 LYS 51 HZ2 LYS 51 14.700 4.019 3.716 1043 HZ3 LYS 51 HZ3 LYS 51 13.416 3.169 4.419 1044 H VAL 52 H VAL 52 8.385 8.871 1.963 1045 HA VAL 52 HA VAL 52 8.929 9.194 -0.933 1046 HB VAL 52 HB VAL 52 7.016 7.623 -1.412 1047 HG11 VAL 52 HG11 VAL 52 9.328 6.368 0.120 1048 HG12 VAL 52 HG12 VAL 52 9.341 6.831 -1.584 1049 HG13 VAL 52 HG13 VAL 52 8.277 5.536 -1.033 1050 HG21 VAL 52 HG21 VAL 52 5.835 7.743 0.758 1051 HG22 VAL 52 HG22 VAL 52 7.188 6.941 1.559 1052 HG23 VAL 52 HG23 VAL 52 6.228 6.068 0.361 1053 H VAL 53 H VAL 53 7.310 10.232 -2.169 1054 HA VAL 53 HA VAL 53 5.005 11.433 -0.725 1055 HB VAL 53 HB VAL 53 6.349 12.592 -3.226 1056 HG11 VAL 53 HG11 VAL 53 3.944 13.127 -3.079 1057 HG12 VAL 53 HG12 VAL 53 4.918 14.576 -2.826 1058 HG13 VAL 53 HG13 VAL 53 4.170 13.767 -1.448 1059 HG21 VAL 53 HG21 VAL 53 7.878 12.831 -1.308 1060 HG22 VAL 53 HG22 VAL 53 6.595 13.581 -0.356 1061 HG23 VAL 53 HG23 VAL 53 7.231 14.404 -1.782 1062 H ILE 54 H ILE 54 3.445 9.855 -1.184 1063 HA ILE 54 HA ILE 54 3.207 8.790 -3.938 1064 HB ILE 54 HB ILE 54 1.651 7.915 -1.460 1065 HG12 ILE 54 HG12 ILE 54 4.174 6.625 -2.609 1066 HG13 ILE 54 HG13 ILE 54 4.147 7.631 -1.164 1067 HG21 ILE 54 HG21 ILE 54 0.593 7.277 -3.593 1068 HG22 ILE 54 HG22 ILE 54 1.217 5.850 -2.766 1069 HG23 ILE 54 HG23 ILE 54 2.098 6.527 -4.137 1070 HD11 ILE 54 HD11 ILE 54 2.765 4.973 -1.521 1071 HD12 ILE 54 HD12 ILE 54 2.662 5.988 -0.079 1072 HD13 ILE 54 HD13 ILE 54 4.211 5.306 -0.570 1073 H GLU 55 H GLU 55 1.961 10.080 -5.233 1074 HA GLU 55 HA GLU 55 -0.407 11.430 -4.112 1075 HB2 GLU 55 HB2 GLU 55 1.666 12.901 -3.981 1076 HB3 GLU 55 HB3 GLU 55 1.718 12.890 -5.742 1077 HG2 GLU 55 HG2 GLU 55 0.681 14.929 -4.821 1078 HG3 GLU 55 HG3 GLU 55 -0.425 14.024 -5.857 1079 H ARG 56 H ARG 56 -2.114 11.576 -5.467 1080 HA ARG 56 HA ARG 56 -1.966 10.082 -7.983 1081 HB2 ARG 56 HB2 ARG 56 -4.380 11.216 -6.517 1082 HB3 ARG 56 HB3 ARG 56 -4.424 10.079 -7.868 1083 HG2 ARG 56 HG2 ARG 56 -3.717 8.292 -6.582 1084 HG3 ARG 56 HG3 ARG 56 -2.860 9.303 -5.423 1085 HD2 ARG 56 HD2 ARG 56 -5.848 8.819 -5.600 1086 HD3 ARG 56 HD3 ARG 56 -4.760 8.380 -4.277 1087 HE ARG 56 HE ARG 56 -6.134 10.796 -4.575 1088 HH11 ARG 56 HH11 ARG 56 -2.970 9.787 -3.505 1089 HH12 ARG 56 HH12 ARG 56 -2.660 11.304 -2.744 1090 HH21 ARG 56 HH21 ARG 56 -5.671 12.675 -3.610 1091 HH22 ARG 56 HH22 ARG 56 -4.148 12.910 -2.828 1092 H LYS 57 H LYS 57 -1.133 11.327 -9.505 1093 HA LYS 57 HA LYS 57 -2.209 14.031 -10.030 1094 HB2 LYS 57 HB2 LYS 57 0.469 12.765 -10.737 1095 HB3 LYS 57 HB3 LYS 57 -0.037 14.381 -11.241 1096 HG2 LYS 57 HG2 LYS 57 -0.123 15.140 -8.938 1097 HG3 LYS 57 HG3 LYS 57 0.174 13.508 -8.337 1098 HD2 LYS 57 HD2 LYS 57 2.191 14.901 -8.183 1099 HD3 LYS 57 HD3 LYS 57 2.434 13.545 -9.286 1100 HE2 LYS 57 HE2 LYS 57 2.062 15.066 -11.212 1101 HE3 LYS 57 HE3 LYS 57 1.847 16.418 -10.094 1102 HZ1 LYS 57 HZ1 LYS 57 4.074 16.397 -10.934 1103 HZ2 LYS 57 HZ2 LYS 57 4.298 14.792 -10.455 1104 HZ3 LYS 57 HZ3 LYS 57 4.115 16.001 -9.289 1105 H ASN 58 H ASN 58 -3.227 14.404 -11.904 1106 HA ASN 58 HA ASN 58 -4.591 13.979 -13.655 1107 HB2 ASN 58 HB2 ASN 58 -2.336 12.138 -14.583 1108 HB3 ASN 58 HB3 ASN 58 -3.589 12.844 -15.605 1109 HD21 ASN 58 HD21 ASN 58 -0.550 13.111 -15.460 1110 HD22 ASN 58 HD22 ASN 58 -0.288 14.815 -15.492 1111 H GLY 59 H GLY 59 -4.886 12.347 -11.256 1112 HA2 GLY 59 HA2 GLY 59 -6.425 10.743 -10.579 1113 HA3 GLY 59 HA3 GLY 59 -6.641 10.247 -12.246 1114 H LEU 60 H LEU 60 -3.544 9.936 -12.341 1115 HA LEU 60 HA LEU 60 -3.530 7.129 -11.520 1116 HB2 LEU 60 HB2 LEU 60 -1.696 8.792 -13.283 1117 HB3 LEU 60 HB3 LEU 60 -1.234 7.188 -12.739 1118 HG LEU 60 HG LEU 60 -3.257 6.235 -13.870 1119 HD11 LEU 60 HD11 LEU 60 -4.726 8.180 -13.882 1120 HD12 LEU 60 HD12 LEU 60 -4.527 7.521 -15.502 1121 HD13 LEU 60 HD13 LEU 60 -3.671 8.995 -15.039 1122 HD21 LEU 60 HD21 LEU 60 -1.085 6.200 -14.998 1123 HD22 LEU 60 HD22 LEU 60 -1.417 7.775 -15.724 1124 HD23 LEU 60 HD23 LEU 60 -2.401 6.375 -16.157 1125 H ILE 61 H ILE 61 -2.248 6.262 -9.956 1126 HA ILE 61 HA ILE 61 -1.321 8.001 -7.855 1127 HB ILE 61 HB ILE 61 -1.220 4.943 -8.068 1128 HG12 ILE 61 HG12 ILE 61 -3.034 4.976 -6.317 1129 HG13 ILE 61 HG13 ILE 61 -3.075 6.725 -6.400 1130 HG21 ILE 61 HG21 ILE 61 0.585 5.734 -6.595 1131 HG22 ILE 61 HG22 ILE 61 -0.662 4.920 -5.653 1132 HG23 ILE 61 HG23 ILE 61 -0.570 6.685 -5.656 1133 HD11 ILE 61 HD11 ILE 61 -3.871 4.830 -8.606 1134 HD12 ILE 61 HD12 ILE 61 -3.936 6.595 -8.682 1135 HD13 ILE 61 HD13 ILE 61 -4.956 5.724 -7.538 1136 H GLU 62 H GLU 62 0.595 9.022 -8.036 1137 HA GLU 62 HA GLU 62 2.896 7.778 -9.439 1138 HB2 GLU 62 HB2 GLU 62 2.188 10.703 -8.911 1139 HB3 GLU 62 HB3 GLU 62 3.710 10.184 -9.633 1140 HG2 GLU 62 HG2 GLU 62 0.979 9.616 -10.839 1141 HG3 GLU 62 HG3 GLU 62 1.965 11.018 -11.254 1142 H ILE 63 H ILE 63 4.516 7.070 -8.118 1143 HA ILE 63 HA ILE 63 4.708 8.061 -5.361 1144 HB ILE 63 HB ILE 63 6.168 5.693 -6.635 1145 HG12 ILE 63 HG12 ILE 63 4.711 4.297 -5.063 1146 HG13 ILE 63 HG13 ILE 63 3.765 5.746 -4.743 1147 HG21 ILE 63 HG21 ILE 63 6.868 5.107 -4.331 1148 HG22 ILE 63 HG22 ILE 63 6.115 6.584 -3.726 1149 HG23 ILE 63 HG23 ILE 63 7.497 6.683 -4.820 1150 HD11 ILE 63 HD11 ILE 63 4.071 4.341 -7.387 1151 HD12 ILE 63 HD12 ILE 63 3.143 5.818 -7.115 1152 HD13 ILE 63 HD13 ILE 63 2.663 4.318 -6.326 1153 H TYR 64 H TYR 64 6.269 9.332 -4.699 1154 HA TYR 64 HA TYR 64 8.655 9.922 -6.370 1155 HB2 TYR 64 HB2 TYR 64 7.093 11.867 -4.592 1156 HB3 TYR 64 HB3 TYR 64 8.550 12.263 -5.500 1157 HD1 TYR 64 HD1 TYR 64 8.466 12.201 -8.022 1158 HD2 TYR 64 HD2 TYR 64 4.902 11.990 -5.664 1159 HE1 TYR 64 HE1 TYR 64 7.130 12.752 -9.992 1160 HE2 TYR 64 HE2 TYR 64 3.570 12.533 -7.650 1161 HH TYR 64 HH TYR 64 4.771 12.331 -10.767 1162 H ASN 65 H ASN 65 10.469 10.878 -4.981 1163 HA ASN 65 HA ASN 65 10.652 9.664 -2.308 1164 HB2 ASN 65 HB2 ASN 65 12.708 11.212 -3.952 1165 HB3 ASN 65 HB3 ASN 65 13.017 10.515 -2.366 1166 HD21 ASN 65 HD21 ASN 65 12.631 9.876 -5.739 1167 HD22 ASN 65 HD22 ASN 65 13.114 8.229 -5.698 1168 H GLU 66 H GLU 66 11.275 10.995 -0.485 1169 HA GLU 66 HA GLU 66 9.586 12.998 0.207 1170 HB2 GLU 66 HB2 GLU 66 10.954 11.812 1.856 1171 HB3 GLU 66 HB3 GLU 66 12.416 12.581 1.245 1172 HG2 GLU 66 HG2 GLU 66 11.569 14.786 2.006 1173 HG3 GLU 66 HG3 GLU 66 10.112 14.004 2.620 1174 H GLY 67 H GLY 67 13.008 13.699 -0.694 1175 HA2 GLY 67 HA2 GLY 67 12.577 16.568 -0.602 1176 HA3 GLY 67 HA3 GLY 67 14.077 15.735 -0.952 1177 H HIS 68 H HIS 68 11.381 14.795 -2.948 1178 HA HIS 68 HA HIS 68 12.618 16.104 -5.266 1179 HB2 HIS 68 HB2 HIS 68 11.954 13.661 -5.346 1180 HB3 HIS 68 HB3 HIS 68 10.264 14.151 -5.247 1181 HD1 HIS 68 HD1 HIS 68 13.278 14.443 -7.526 1182 HD2 HIS 68 HD2 HIS 68 9.146 14.831 -7.709 1183 HE1 HIS 68 HE1 HIS 68 12.752 14.787 -9.948 1184 HE2 HIS 68 HE2 HIS 68 10.249 15.038 -10.038 1185 H PHE 69 H PHE 69 10.081 16.843 -3.094 1186 HA PHE 69 HA PHE 69 8.166 18.073 -4.761 1187 HB2 PHE 69 HB2 PHE 69 7.380 19.306 -2.795 1188 HB3 PHE 69 HB3 PHE 69 7.737 17.643 -2.359 1189 HD1 PHE 69 HD1 PHE 69 9.654 17.123 -0.878 1190 HD2 PHE 69 HD2 PHE 69 8.696 21.168 -1.840 1191 HE1 PHE 69 HE1 PHE 69 11.085 17.896 0.963 1192 HE2 PHE 69 HE2 PHE 69 10.132 21.938 -0.001 1193 HZ PHE 69 HZ PHE 69 11.327 20.306 1.402 1194 H ASP 70 H ASP 70 11.169 19.341 -3.396 1195 HA ASP 70 HA ASP 70 10.861 21.916 -4.751 1196 HB2 ASP 70 HB2 ASP 70 11.812 21.621 -2.365 1197 HB3 ASP 70 HB3 ASP 70 13.259 20.961 -3.125 1198 H PHE 71 H PHE 71 11.035 21.528 -6.901 1199 HA PHE 71 HA PHE 71 13.491 20.302 -8.012 1200 HB2 PHE 71 HB2 PHE 71 11.571 18.650 -7.953 1201 HB3 PHE 71 HB3 PHE 71 10.645 19.733 -8.982 1202 HD1 PHE 71 HD2 PHE 71 14.086 18.187 -8.989 1203 HD2 PHE 71 HD1 PHE 71 10.547 19.060 -11.234 1204 HE1 PHE 71 HE2 PHE 71 15.045 17.056 -10.951 1205 HE2 PHE 71 HE1 PHE 71 11.515 17.920 -13.191 1206 HZ PHE 71 HZ PHE 71 13.763 16.916 -13.050 1207 H SER 72 H SER 72 14.248 21.289 -9.916 1208 HA SER 72 HA SER 72 13.495 23.994 -10.401 1209 HB2 SER 72 HB2 SER 72 15.811 23.234 -10.735 1210 HB3 SER 72 HB3 SER 72 15.301 22.177 -12.048 1211 HG SER 72 HG SER 72 16.156 24.537 -12.379 1212 H PHE 73 H PHE 73 12.581 24.982 -12.257 1213 HA PHE 73 HA PHE 73 10.463 23.405 -13.535 1214 HB2 PHE 73 HB2 PHE 73 10.005 25.621 -12.411 1215 HB3 PHE 73 HB3 PHE 73 10.967 26.414 -13.650 1216 HD1 PHE 73 HD1 PHE 73 7.781 24.696 -12.931 1217 HD2 PHE 73 HD2 PHE 73 10.067 26.701 -15.946 1218 HE1 PHE 73 HE1 PHE 73 5.772 24.902 -14.331 1219 HE2 PHE 73 HE2 PHE 73 8.046 26.896 -17.337 1220 HZ PHE 73 HZ PHE 73 5.899 26.001 -16.528 1221 H GLY 74 H GLY 74 10.499 22.780 -15.631 1222 HA2 GLY 74 HA2 GLY 74 11.553 24.090 -17.859 1223 HA3 GLY 74 HA3 GLY 74 12.814 23.007 -17.284 1224 H LEU 75 H LEU 75 9.535 23.187 -18.544 1225 HA LEU 75 HA LEU 75 9.246 20.282 -18.699 1226 HB2 LEU 75 HB2 LEU 75 7.306 22.587 -19.098 1227 HB3 LEU 75 HB3 LEU 75 6.891 20.948 -19.565 1228 HG LEU 75 HG LEU 75 7.147 20.201 -17.199 1229 HD11 LEU 75 HD11 LEU 75 7.306 21.813 -15.358 1230 HD12 LEU 75 HD12 LEU 75 7.570 23.121 -16.514 1231 HD13 LEU 75 HD13 LEU 75 8.759 21.825 -16.359 1232 HD21 LEU 75 HD21 LEU 75 4.927 20.832 -18.041 1233 HD22 LEU 75 HD22 LEU 75 5.193 22.500 -17.529 1234 HD23 LEU 75 HD23 LEU 75 5.094 21.213 -16.327 1235 H GLU 76 H GLU 76 9.199 19.129 -20.534 1236 HA GLU 76 HA GLU 76 10.332 20.055 -22.963 1237 HB2 GLU 76 HB2 GLU 76 10.602 17.761 -22.194 1238 HB3 GLU 76 HB3 GLU 76 8.872 17.474 -22.244 1239 HG2 GLU 76 HG2 GLU 76 10.270 18.198 -24.810 1240 HG3 GLU 76 HG3 GLU 76 10.531 16.586 -24.151 1241 H HIS 77 H HIS 77 9.409 21.104 -24.618 1242 HA HIS 77 HA HIS 77 6.505 21.534 -24.687 1243 HB2 HIS 77 HB2 HIS 77 8.257 23.425 -24.800 1244 HB3 HIS 77 HB3 HIS 77 8.619 22.879 -26.430 1245 HD1 HIS 77 HD1 HIS 77 6.049 24.652 -24.390 1246 HD2 HIS 77 HD2 HIS 77 6.654 23.573 -28.360 1247 HE1 HIS 77 HE1 HIS 77 4.362 25.953 -25.702 1248 HE2 HIS 77 HE2 HIS 77 4.664 25.210 -28.081 1249 H HIS 78 H HIS 78 5.238 20.365 -26.039 1250 HA HIS 78 HA HIS 78 6.339 18.528 -27.967 1251 HB2 HIS 78 HB2 HIS 78 4.034 17.769 -28.317 1252 HB3 HIS 78 HB3 HIS 78 4.353 17.937 -26.600 1253 HD1 HIS 78 HD1 HIS 78 2.831 19.474 -25.285 1254 HD2 HIS 78 HD2 HIS 78 2.249 19.794 -29.388 1255 HE1 HIS 78 HE1 HIS 78 0.744 20.827 -25.563 1256 HE2 HIS 78 HE2 HIS 78 0.339 20.902 -28.040 1257 H HIS 79 H HIS 79 5.581 18.368 -30.228 1258 HA HIS 79 HA HIS 79 5.805 20.984 -31.571 1259 HB2 HIS 79 HB2 HIS 79 6.185 18.144 -32.628 1260 HB3 HIS 79 HB3 HIS 79 6.362 19.598 -33.605 1261 HD1 HIS 79 HD1 HIS 79 8.654 20.537 -33.719 1262 HD2 HIS 79 HD2 HIS 79 8.155 18.118 -30.381 1263 HE1 HIS 79 HE1 HIS 79 10.920 20.380 -32.662 1264 HE2 HIS 79 HE2 HIS 79 10.626 18.781 -30.745 1265 H HIS 80 H HIS 80 4.673 21.162 -33.733 1266 HA HIS 80 HA HIS 80 1.839 20.263 -33.615 1267 HB2 HIS 80 HB2 HIS 80 3.062 22.817 -34.759 1268 HB3 HIS 80 HB3 HIS 80 1.376 22.358 -34.978 1269 HD1 HIS 80 HD1 HIS 80 -0.195 23.224 -33.271 1270 HD2 HIS 80 HD2 HIS 80 3.710 23.200 -31.861 1271 HE1 HIS 80 HE1 HIS 80 -0.293 24.301 -31.008 1272 HE2 HIS 80 HE2 HIS 80 2.103 24.455 -30.275 1273 H HIS 81 H HIS 81 0.999 20.827 -36.191 1274 HA HIS 81 HA HIS 81 2.900 19.706 -38.132 1275 HB2 HIS 81 HB2 HIS 81 1.274 18.052 -39.007 1276 HB3 HIS 81 HB3 HIS 81 1.682 17.722 -37.328 1277 HD1 HIS 81 HD1 HIS 81 -1.155 18.977 -39.477 1278 HD2 HIS 81 HD2 HIS 81 -0.494 17.754 -35.562 1279 HE1 HIS 81 HE1 HIS 81 -3.428 18.755 -38.454 1280 HE2 HIS 81 HE2 HIS 81 -2.992 18.200 -36.045 1281 H HIS 82 H HIS 82 2.679 20.547 -40.171 1282 HA HIS 82 HA HIS 82 1.076 22.914 -40.527 1283 HB2 HIS 82 HB2 HIS 82 3.467 22.571 -41.381 1284 HB3 HIS 82 HB3 HIS 82 2.797 21.520 -42.618 1285 HD1 HIS 82 HD1 HIS 82 3.584 25.003 -41.908 1286 HD2 HIS 82 HD2 HIS 82 1.018 23.004 -44.492 1287 HE1 HIS 82 HE1 HIS 82 2.950 26.687 -43.644 1288 HE2 HIS 82 HE2 HIS 82 1.338 25.486 -45.148 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -0.653 15.277 -1.822 2 H2 MET 1 H2 MET 1 0.950 14.818 -2.093 3 H3 MET 1 H3 MET 1 0.122 15.734 -3.247 4 HA MET 1 HA MET 1 1.727 17.011 -1.958 5 HB2 MET 1 HB2 MET 1 0.073 18.897 -1.421 6 HB3 MET 1 HB3 MET 1 0.040 18.262 -3.059 7 HG2 MET 1 HG2 MET 1 -1.955 16.937 -2.520 8 HG3 MET 1 HG3 MET 1 -1.922 17.558 -0.865 9 HE1 MET 1 HE1 MET 1 -4.491 17.736 -2.841 10 HE2 MET 1 HE2 MET 1 -5.044 19.364 -2.449 11 HE3 MET 1 HE3 MET 1 -4.477 18.292 -1.167 12 H ASP 2 H ASP 2 -1.110 16.107 0.079 13 HA ASP 2 HA ASP 2 0.391 16.797 2.511 14 HB2 ASP 2 HB2 ASP 2 -2.535 16.009 2.165 15 HB3 ASP 2 HB3 ASP 2 -1.792 16.558 3.666 16 H LYS 3 H LYS 3 0.805 15.342 4.185 17 HA LYS 3 HA LYS 3 0.679 12.471 3.733 18 HB2 LYS 3 HB2 LYS 3 1.256 13.948 6.334 19 HB3 LYS 3 HB3 LYS 3 1.607 12.258 5.995 20 HG2 LYS 3 HG2 LYS 3 2.926 14.633 4.638 21 HG3 LYS 3 HG3 LYS 3 3.607 13.708 5.979 22 HD2 LYS 3 HD2 LYS 3 3.447 11.647 4.417 23 HD3 LYS 3 HD3 LYS 3 3.151 12.803 3.110 24 HE2 LYS 3 HE2 LYS 3 5.317 13.919 3.663 25 HE3 LYS 3 HE3 LYS 3 5.600 12.701 4.911 26 HZ1 LYS 3 HZ1 LYS 3 6.796 12.129 2.952 27 HZ2 LYS 3 HZ2 LYS 3 5.417 12.245 1.987 28 HZ3 LYS 3 HZ3 LYS 3 5.540 11.012 3.137 29 H LYS 4 H LYS 4 -1.391 14.910 5.038 30 HA LYS 4 HA LYS 4 -3.027 13.626 6.879 31 HB2 LYS 4 HB2 LYS 4 -3.857 15.670 4.775 32 HB3 LYS 4 HB3 LYS 4 -4.816 15.240 6.189 33 HG2 LYS 4 HG2 LYS 4 -2.097 16.588 6.221 34 HG3 LYS 4 HG3 LYS 4 -3.656 17.378 6.480 35 HD2 LYS 4 HD2 LYS 4 -3.965 15.803 8.489 36 HD3 LYS 4 HD3 LYS 4 -2.270 15.346 8.271 37 HE2 LYS 4 HE2 LYS 4 -3.330 18.130 8.886 38 HE3 LYS 4 HE3 LYS 4 -2.455 17.068 9.991 39 HZ1 LYS 4 HZ1 LYS 4 -1.029 18.790 9.058 40 HZ2 LYS 4 HZ2 LYS 4 -1.340 18.238 7.492 41 HZ3 LYS 4 HZ3 LYS 4 -0.504 17.256 8.585 42 H ILE 5 H ILE 5 -3.065 13.390 3.369 43 HA ILE 5 HA ILE 5 -5.563 12.332 2.794 44 HB ILE 5 HB ILE 5 -2.925 11.581 1.448 45 HG12 ILE 5 HG12 ILE 5 -4.856 13.831 0.713 46 HG13 ILE 5 HG13 ILE 5 -3.334 14.062 1.565 47 HG21 ILE 5 HG21 ILE 5 -5.765 11.398 0.368 48 HG22 ILE 5 HG22 ILE 5 -4.711 10.042 0.774 49 HG23 ILE 5 HG23 ILE 5 -4.298 11.106 -0.571 50 HD11 ILE 5 HD11 ILE 5 -3.640 13.022 -1.257 51 HD12 ILE 5 HD12 ILE 5 -2.112 13.251 -0.401 52 HD13 ILE 5 HD13 ILE 5 -3.127 14.641 -0.780 53 H VAL 6 H VAL 6 -2.580 10.435 3.421 54 HA VAL 6 HA VAL 6 -3.733 7.891 3.065 55 HB VAL 6 HB VAL 6 -1.656 6.961 4.032 56 HG11 VAL 6 HG11 VAL 6 -1.161 9.344 2.200 57 HG12 VAL 6 HG12 VAL 6 -1.632 7.718 1.698 58 HG13 VAL 6 HG13 VAL 6 -0.056 7.986 2.440 59 HG21 VAL 6 HG21 VAL 6 -1.323 8.532 5.914 60 HG22 VAL 6 HG22 VAL 6 -0.938 9.827 4.780 61 HG23 VAL 6 HG23 VAL 6 0.132 8.432 4.917 62 H GLY 7 H GLY 7 -3.324 9.794 6.054 63 HA2 GLY 7 HA2 GLY 7 -4.257 7.742 7.860 64 HA3 GLY 7 HA3 GLY 7 -4.066 9.451 8.223 65 H ALA 8 H ALA 8 -5.768 10.504 6.227 66 HA ALA 8 HA ALA 8 -8.294 10.485 7.487 67 HB1 ALA 8 HB1 ALA 8 -7.577 11.421 4.683 68 HB2 ALA 8 HB2 ALA 8 -7.448 12.379 6.160 69 HB3 ALA 8 HB3 ALA 8 -9.035 11.864 5.589 70 H ASN 9 H ASN 9 -7.092 8.753 4.637 71 HA ASN 9 HA ASN 9 -9.634 7.427 4.136 72 HB2 ASN 9 HB2 ASN 9 -6.898 7.128 2.832 73 HB3 ASN 9 HB3 ASN 9 -8.311 6.183 2.361 74 HD21 ASN 9 HD21 ASN 9 -6.782 9.283 2.151 75 HD22 ASN 9 HD22 ASN 9 -7.929 10.009 1.098 76 H ALA 10 H ALA 10 -6.673 6.723 5.944 77 HA ALA 10 HA ALA 10 -6.895 3.867 5.999 78 HB1 ALA 10 HB1 ALA 10 -4.774 5.037 6.482 79 HB2 ALA 10 HB2 ALA 10 -5.227 3.961 7.807 80 HB3 ALA 10 HB3 ALA 10 -5.471 5.704 7.962 81 H GLY 11 H GLY 11 -8.238 6.440 8.012 82 HA2 GLY 11 HA2 GLY 11 -9.323 4.928 10.134 83 HA3 GLY 11 HA3 GLY 11 -9.947 6.460 9.545 84 H LYS 12 H LYS 12 -10.713 5.817 6.995 85 HA LYS 12 HA LYS 12 -13.251 4.551 7.379 86 HB2 LYS 12 HB2 LYS 12 -12.799 6.508 5.854 87 HB3 LYS 12 HB3 LYS 12 -11.926 5.421 4.777 88 HG2 LYS 12 HG2 LYS 12 -14.014 4.131 4.407 89 HG3 LYS 12 HG3 LYS 12 -14.878 5.243 5.479 90 HD2 LYS 12 HD2 LYS 12 -14.268 7.127 3.920 91 HD3 LYS 12 HD3 LYS 12 -13.545 5.938 2.831 92 HE2 LYS 12 HE2 LYS 12 -15.775 4.838 2.618 93 HE3 LYS 12 HE3 LYS 12 -16.472 6.104 3.636 94 HZ1 LYS 12 HZ1 LYS 12 -15.722 7.730 1.971 95 HZ2 LYS 12 HZ2 LYS 12 -16.835 6.625 1.343 96 HZ3 LYS 12 HZ3 LYS 12 -15.188 6.465 0.983 97 H VAL 13 H VAL 13 -10.226 3.583 5.776 98 HA VAL 13 HA VAL 13 -11.095 1.184 4.553 99 HB VAL 13 HB VAL 13 -8.320 2.114 5.390 100 HG11 VAL 13 HG11 VAL 13 -8.269 -0.344 5.364 101 HG12 VAL 13 HG12 VAL 13 -7.382 0.296 3.979 102 HG13 VAL 13 HG13 VAL 13 -9.006 -0.360 3.759 103 HG21 VAL 13 HG21 VAL 13 -9.644 1.926 2.650 104 HG22 VAL 13 HG22 VAL 13 -8.007 2.509 2.964 105 HG23 VAL 13 HG23 VAL 13 -9.395 3.411 3.573 106 H TRP 14 H TRP 14 -9.493 1.735 7.666 107 HA TRP 14 HA TRP 14 -9.613 -0.951 8.589 108 HB2 TRP 14 HB2 TRP 14 -8.137 0.887 9.565 109 HB3 TRP 14 HB3 TRP 14 -9.560 1.496 10.404 110 HD1 TRP 14 HD1 TRP 14 -7.304 -1.648 10.277 111 HE1 TRP 14 HE1 TRP 14 -7.489 -2.873 12.524 112 HE3 TRP 14 HE3 TRP 14 -10.957 1.169 12.421 113 HZ2 TRP 14 HZ2 TRP 14 -9.000 -2.688 14.908 114 HZ3 TRP 14 HZ3 TRP 14 -11.744 0.589 14.692 115 HH2 TRP 14 HH2 TRP 14 -10.779 -1.306 15.907 116 H HIS 15 H HIS 15 -11.919 1.720 8.783 117 HA HIS 15 HA HIS 15 -13.773 0.649 10.623 118 HB2 HIS 15 HB2 HIS 15 -13.746 3.019 9.829 119 HB3 HIS 15 HB3 HIS 15 -14.312 2.487 8.251 120 HD1 HIS 15 HD1 HIS 15 -15.462 2.579 11.867 121 HD2 HIS 15 HD2 HIS 15 -17.049 2.397 8.033 122 HE1 HIS 15 HE1 HIS 15 -17.940 2.826 12.158 123 HE2 HIS 15 HE2 HIS 15 -18.880 2.479 9.854 124 H ALA 16 H ALA 16 -13.576 0.296 7.082 125 HA ALA 16 HA ALA 16 -15.875 -1.388 6.752 126 HB1 ALA 16 HB1 ALA 16 -14.929 -0.069 4.909 127 HB2 ALA 16 HB2 ALA 16 -14.976 -1.782 4.490 128 HB3 ALA 16 HB3 ALA 16 -13.450 -1.029 4.962 129 H LEU 17 H LEU 17 -12.460 -1.969 7.281 130 HA LEU 17 HA LEU 17 -12.384 -4.805 7.001 131 HB2 LEU 17 HB2 LEU 17 -10.444 -3.364 6.660 132 HB3 LEU 17 HB3 LEU 17 -10.553 -2.739 8.285 133 HG LEU 17 HG LEU 17 -8.621 -4.334 7.734 134 HD11 LEU 17 HD11 LEU 17 -10.292 -5.046 10.148 135 HD12 LEU 17 HD12 LEU 17 -9.169 -3.691 10.023 136 HD13 LEU 17 HD13 LEU 17 -8.563 -5.344 9.926 137 HD21 LEU 17 HD21 LEU 17 -10.771 -6.452 7.943 138 HD22 LEU 17 HD22 LEU 17 -9.028 -6.730 7.853 139 HD23 LEU 17 HD23 LEU 17 -9.874 -6.009 6.487 140 H ASN 18 H ASN 18 -13.243 -2.673 9.648 141 HA ASN 18 HA ASN 18 -12.453 -4.240 11.859 142 HB2 ASN 18 HB2 ASN 18 -12.883 -1.765 11.914 143 HB3 ASN 18 HB3 ASN 18 -14.611 -2.086 11.792 144 HD21 ASN 18 HD21 ASN 18 -15.014 -1.066 13.768 145 HD22 ASN 18 HD22 ASN 18 -14.577 -1.766 15.283 146 H GLU 19 H GLU 19 -15.616 -4.001 10.215 147 HA GLU 19 HA GLU 19 -16.960 -5.739 12.123 148 HB2 GLU 19 HB2 GLU 19 -17.934 -4.589 9.481 149 HB3 GLU 19 HB3 GLU 19 -18.942 -5.447 10.644 150 HG2 GLU 19 HG2 GLU 19 -17.546 -2.787 11.074 151 HG3 GLU 19 HG3 GLU 19 -19.270 -3.039 10.820 152 H ALA 20 H ALA 20 -15.102 -6.284 9.303 153 HA ALA 20 HA ALA 20 -15.576 -9.132 9.383 154 HB1 ALA 20 HB1 ALA 20 -17.504 -8.439 8.005 155 HB2 ALA 20 HB2 ALA 20 -16.362 -9.399 7.062 156 HB3 ALA 20 HB3 ALA 20 -16.417 -7.644 6.863 157 H ASP 21 H ASP 21 -13.386 -9.397 9.699 158 HA ASP 21 HA ASP 21 -11.424 -8.191 7.918 159 HB2 ASP 21 HB2 ASP 21 -9.752 -9.132 9.415 160 HB3 ASP 21 HB3 ASP 21 -11.004 -8.335 10.355 161 H GLY 22 H GLY 22 -9.562 -9.704 7.169 162 HA2 GLY 22 HA2 GLY 22 -8.850 -11.428 5.794 163 HA3 GLY 22 HA3 GLY 22 -10.318 -12.321 6.175 164 H ILE 23 H ILE 23 -9.501 -9.239 4.597 165 HA ILE 23 HA ILE 23 -11.202 -9.906 2.270 166 HB ILE 23 HB ILE 23 -12.483 -8.435 3.791 167 HG12 ILE 23 HG12 ILE 23 -11.618 -6.913 1.294 168 HG13 ILE 23 HG13 ILE 23 -12.802 -8.215 1.317 169 HG21 ILE 23 HG21 ILE 23 -11.800 -6.124 4.290 170 HG22 ILE 23 HG22 ILE 23 -10.264 -6.391 3.465 171 HG23 ILE 23 HG23 ILE 23 -10.640 -7.288 4.938 172 HD11 ILE 23 HD11 ILE 23 -14.263 -6.835 2.742 173 HD12 ILE 23 HD12 ILE 23 -13.890 -6.066 1.201 174 HD13 ILE 23 HD13 ILE 23 -13.076 -5.528 2.668 175 H SER 24 H SER 24 -10.332 -9.373 0.295 176 HA SER 24 HA SER 24 -7.566 -8.588 0.120 177 HB2 SER 24 HB2 SER 24 -7.864 -8.881 -2.313 178 HB3 SER 24 HB3 SER 24 -8.558 -10.241 -1.432 179 HG SER 24 HG SER 24 -10.561 -9.566 -1.915 180 H ILE 25 H ILE 25 -6.737 -6.774 -1.125 181 HA ILE 25 HA ILE 25 -7.613 -4.305 -0.236 182 HB ILE 25 HB ILE 25 -5.908 -4.799 -2.710 183 HG12 ILE 25 HG12 ILE 25 -5.010 -4.310 0.165 184 HG13 ILE 25 HG13 ILE 25 -5.029 -5.881 -0.625 185 HG21 ILE 25 HG21 ILE 25 -6.137 -2.288 -1.006 186 HG22 ILE 25 HG22 ILE 25 -6.721 -2.483 -2.661 187 HG23 ILE 25 HG23 ILE 25 -4.992 -2.532 -2.327 188 HD11 ILE 25 HD11 ILE 25 -2.792 -4.947 -0.554 189 HD12 ILE 25 HD12 ILE 25 -3.325 -3.523 -1.445 190 HD13 ILE 25 HD13 ILE 25 -3.341 -5.109 -2.221 191 HA PRO 26 HA PRO 26 -9.714 -3.283 -4.560 192 HB2 PRO 26 HB2 PRO 26 -10.738 -5.410 -6.024 193 HB3 PRO 26 HB3 PRO 26 -9.149 -4.694 -6.319 194 HG2 PRO 26 HG2 PRO 26 -9.854 -7.135 -4.689 195 HG3 PRO 26 HG3 PRO 26 -8.566 -6.937 -5.898 196 HD2 PRO 26 HD2 PRO 26 -8.004 -6.791 -3.276 197 HD3 PRO 26 HD3 PRO 26 -7.199 -5.696 -4.427 198 H GLU 27 H GLU 27 -10.905 -6.061 -2.689 199 HA GLU 27 HA GLU 27 -13.734 -5.474 -3.027 200 HB2 GLU 27 HB2 GLU 27 -12.266 -7.339 -1.112 201 HB3 GLU 27 HB3 GLU 27 -14.024 -7.248 -1.267 202 HG2 GLU 27 HG2 GLU 27 -13.734 -7.858 -3.724 203 HG3 GLU 27 HG3 GLU 27 -12.040 -8.189 -3.361 204 H LEU 28 H LEU 28 -11.240 -4.863 -0.749 205 HA LEU 28 HA LEU 28 -12.726 -3.574 1.314 206 HB2 LEU 28 HB2 LEU 28 -10.562 -4.695 1.587 207 HB3 LEU 28 HB3 LEU 28 -9.812 -3.574 0.466 208 HG LEU 28 HG LEU 28 -10.074 -1.755 2.085 209 HD11 LEU 28 HD11 LEU 28 -12.105 -2.435 3.264 210 HD12 LEU 28 HD12 LEU 28 -10.787 -2.203 4.410 211 HD13 LEU 28 HD13 LEU 28 -11.270 -3.836 3.945 212 HD21 LEU 28 HD21 LEU 28 -8.386 -2.583 3.684 213 HD22 LEU 28 HD22 LEU 28 -8.040 -3.093 2.026 214 HD23 LEU 28 HD23 LEU 28 -8.736 -4.241 3.176 215 H ALA 29 H ALA 29 -11.123 -2.536 -1.656 216 HA ALA 29 HA ALA 29 -11.245 0.270 -1.320 217 HB1 ALA 29 HB1 ALA 29 -10.768 0.396 -3.722 218 HB2 ALA 29 HB2 ALA 29 -11.144 -1.322 -3.898 219 HB3 ALA 29 HB3 ALA 29 -9.753 -0.817 -2.937 220 H ARG 30 H ARG 30 -13.579 -2.007 -2.813 221 HA ARG 30 HA ARG 30 -15.390 0.015 -3.756 222 HB2 ARG 30 HB2 ARG 30 -16.936 -1.764 -4.273 223 HB3 ARG 30 HB3 ARG 30 -15.319 -2.334 -4.661 224 HG2 ARG 30 HG2 ARG 30 -15.278 -3.616 -2.535 225 HG3 ARG 30 HG3 ARG 30 -16.918 -3.075 -2.187 226 HD2 ARG 30 HD2 ARG 30 -17.696 -4.241 -4.251 227 HD3 ARG 30 HD3 ARG 30 -16.045 -4.816 -4.522 228 HE ARG 30 HE ARG 30 -17.522 -5.489 -2.045 229 HH11 ARG 30 HH11 ARG 30 -15.846 -6.607 -4.871 230 HH12 ARG 30 HH12 ARG 30 -15.765 -8.228 -4.287 231 HH21 ARG 30 HH21 ARG 30 -17.417 -7.559 -1.356 232 HH22 ARG 30 HH22 ARG 30 -16.634 -8.757 -2.320 233 H LYS 31 H LYS 31 -14.993 -1.663 -0.697 234 HA LYS 31 HA LYS 31 -17.415 -0.928 0.603 235 HB2 LYS 31 HB2 LYS 31 -14.645 -1.663 1.623 236 HB3 LYS 31 HB3 LYS 31 -15.977 -1.329 2.722 237 HG2 LYS 31 HG2 LYS 31 -16.101 -3.490 0.595 238 HG3 LYS 31 HG3 LYS 31 -15.484 -3.781 2.225 239 HD2 LYS 31 HD2 LYS 31 -18.277 -2.731 1.602 240 HD3 LYS 31 HD3 LYS 31 -17.894 -4.426 1.912 241 HE2 LYS 31 HE2 LYS 31 -17.476 -2.140 3.878 242 HE3 LYS 31 HE3 LYS 31 -18.804 -3.301 3.919 243 HZ1 LYS 31 HZ1 LYS 31 -15.917 -3.931 4.266 244 HZ2 LYS 31 HZ2 LYS 31 -17.154 -5.077 4.219 245 HZ3 LYS 31 HZ3 LYS 31 -17.101 -3.946 5.476 246 H VAL 32 H VAL 32 -14.284 0.697 0.240 247 HA VAL 32 HA VAL 32 -15.168 2.978 1.909 248 HB VAL 32 HB VAL 32 -12.811 3.614 2.052 249 HG11 VAL 32 HG11 VAL 32 -13.288 0.662 2.626 250 HG12 VAL 32 HG12 VAL 32 -13.667 2.017 3.694 251 HG13 VAL 32 HG13 VAL 32 -11.990 1.638 3.315 252 HG21 VAL 32 HG21 VAL 32 -12.042 2.891 -0.190 253 HG22 VAL 32 HG22 VAL 32 -12.213 1.202 0.286 254 HG23 VAL 32 HG23 VAL 32 -11.009 2.224 1.076 255 H ASN 33 H ASN 33 -15.212 2.177 -1.287 256 HA ASN 33 HA ASN 33 -15.725 3.274 -3.178 257 HB2 ASN 33 HB2 ASN 33 -16.015 5.757 -1.436 258 HB3 ASN 33 HB3 ASN 33 -16.671 5.552 -3.060 259 HD21 ASN 33 HD21 ASN 33 -18.100 6.137 -0.585 260 HD22 ASN 33 HD22 ASN 33 -19.244 4.862 -0.381 261 H LEU 34 H LEU 34 -12.921 3.122 -2.272 262 HA LEU 34 HA LEU 34 -11.685 5.327 -3.832 263 HB2 LEU 34 HB2 LEU 34 -10.380 3.367 -1.897 264 HB3 LEU 34 HB3 LEU 34 -9.565 4.683 -2.730 265 HG LEU 34 HG LEU 34 -11.734 5.026 -0.612 266 HD11 LEU 34 HD11 LEU 34 -9.931 5.805 0.857 267 HD12 LEU 34 HD12 LEU 34 -8.733 5.453 -0.393 268 HD13 LEU 34 HD13 LEU 34 -9.658 4.140 0.345 269 HD21 LEU 34 HD21 LEU 34 -10.023 7.121 -2.003 270 HD22 LEU 34 HD22 LEU 34 -11.142 7.421 -0.669 271 HD23 LEU 34 HD23 LEU 34 -11.758 6.873 -2.225 272 H SER 35 H SER 35 -9.647 4.604 -5.055 273 HA SER 35 HA SER 35 -10.014 2.245 -6.680 274 HB2 SER 35 HB2 SER 35 -7.887 2.905 -7.739 275 HB3 SER 35 HB3 SER 35 -8.922 4.318 -7.555 276 HG SER 35 HG SER 35 -7.054 5.034 -6.791 277 H VAL 36 H VAL 36 -8.287 0.558 -6.870 278 HA VAL 36 HA VAL 36 -7.743 -0.815 -4.483 279 HB VAL 36 HB VAL 36 -6.231 -1.105 -7.121 280 HG11 VAL 36 HG11 VAL 36 -6.604 -3.134 -4.876 281 HG12 VAL 36 HG12 VAL 36 -5.108 -2.276 -5.256 282 HG13 VAL 36 HG13 VAL 36 -5.778 -3.428 -6.411 283 HG21 VAL 36 HG21 VAL 36 -7.885 -2.851 -7.711 284 HG22 VAL 36 HG22 VAL 36 -8.655 -1.276 -7.503 285 HG23 VAL 36 HG23 VAL 36 -8.789 -2.497 -6.236 286 H GLU 37 H GLU 37 -5.609 1.227 -6.449 287 HA GLU 37 HA GLU 37 -3.230 0.915 -4.922 288 HB2 GLU 37 HB2 GLU 37 -4.056 3.111 -6.862 289 HB3 GLU 37 HB3 GLU 37 -2.409 2.837 -6.294 290 HG2 GLU 37 HG2 GLU 37 -2.261 0.737 -7.435 291 HG3 GLU 37 HG3 GLU 37 -3.991 0.715 -7.778 292 H SER 38 H SER 38 -5.828 3.374 -4.770 293 HA SER 38 HA SER 38 -4.559 5.105 -2.864 294 HB2 SER 38 HB2 SER 38 -6.428 5.881 -4.300 295 HB3 SER 38 HB3 SER 38 -7.527 4.779 -3.473 296 HG SER 38 HG SER 38 -7.548 6.051 -1.748 297 H THR 39 H THR 39 -6.756 2.350 -2.566 298 HA THR 39 HA THR 39 -7.140 2.493 0.272 299 HB THR 39 HB THR 39 -7.596 0.181 -1.661 300 HG1 THR 39 HG1 THR 39 -9.140 1.541 -2.208 301 HG21 THR 39 HG21 THR 39 -7.434 -0.682 0.657 302 HG22 THR 39 HG22 THR 39 -9.093 -0.768 0.061 303 HG23 THR 39 HG23 THR 39 -8.626 0.511 1.184 304 H ALA 40 H ALA 40 -5.001 0.537 -1.821 305 HA ALA 40 HA ALA 40 -3.768 -1.119 0.084 306 HB1 ALA 40 HB1 ALA 40 -2.546 -0.007 -2.470 307 HB2 ALA 40 HB2 ALA 40 -3.550 -1.453 -2.356 308 HB3 ALA 40 HB3 ALA 40 -1.968 -1.419 -1.576 309 H LEU 41 H LEU 41 -2.994 2.135 -0.951 310 HA LEU 41 HA LEU 41 -0.598 2.634 0.430 311 HB2 LEU 41 HB2 LEU 41 -2.166 4.005 -1.323 312 HB3 LEU 41 HB3 LEU 41 -2.642 4.815 0.150 313 HG LEU 41 HG LEU 41 0.057 4.796 -1.217 314 HD11 LEU 41 HD11 LEU 41 -0.243 7.231 -1.153 315 HD12 LEU 41 HD12 LEU 41 -1.797 7.014 -0.335 316 HD13 LEU 41 HD13 LEU 41 -1.570 6.414 -1.980 317 HD21 LEU 41 HD21 LEU 41 -0.441 5.760 1.621 318 HD22 LEU 41 HD22 LEU 41 1.014 6.072 0.670 319 HD23 LEU 41 HD23 LEU 41 0.600 4.423 1.127 320 H ALA 42 H ALA 42 -3.969 3.294 1.348 321 HA ALA 42 HA ALA 42 -3.501 4.286 3.964 322 HB1 ALA 42 HB1 ALA 42 -5.937 4.035 4.254 323 HB2 ALA 42 HB2 ALA 42 -6.015 3.076 2.775 324 HB3 ALA 42 HB3 ALA 42 -5.544 4.773 2.701 325 H VAL 43 H VAL 43 -3.994 1.012 2.714 326 HA VAL 43 HA VAL 43 -4.259 -0.355 5.215 327 HB VAL 43 HB VAL 43 -3.305 -1.400 2.507 328 HG11 VAL 43 HG11 VAL 43 -2.467 -2.904 4.271 329 HG12 VAL 43 HG12 VAL 43 -3.750 -3.688 3.353 330 HG13 VAL 43 HG13 VAL 43 -4.091 -3.033 4.955 331 HG21 VAL 43 HG21 VAL 43 -5.567 -2.364 2.296 332 HG22 VAL 43 HG22 VAL 43 -5.637 -0.610 2.473 333 HG23 VAL 43 HG23 VAL 43 -6.024 -1.649 3.844 334 H GLY 44 H GLY 44 -1.453 0.438 3.168 335 HA2 GLY 44 HA2 GLY 44 0.594 -0.702 4.752 336 HA3 GLY 44 HA3 GLY 44 0.787 0.649 3.643 337 H TRP 45 H TRP 45 -1.078 2.404 5.018 338 HA TRP 45 HA TRP 45 0.562 3.499 7.111 339 HB2 TRP 45 HB2 TRP 45 -0.829 4.876 5.532 340 HB3 TRP 45 HB3 TRP 45 -2.280 4.270 6.324 341 HD1 TRP 45 HD1 TRP 45 -3.028 5.508 8.539 342 HE1 TRP 45 HE1 TRP 45 -2.141 7.539 9.828 343 HE3 TRP 45 HE3 TRP 45 1.515 6.036 6.229 344 HZ2 TRP 45 HZ2 TRP 45 0.167 9.165 9.884 345 HZ3 TRP 45 HZ3 TRP 45 3.002 7.863 6.961 346 HH2 TRP 45 HH2 TRP 45 2.347 9.396 8.746 347 H LEU 46 H LEU 46 -2.372 1.504 7.031 348 HA LEU 46 HA LEU 46 -2.799 1.426 9.867 349 HB2 LEU 46 HB2 LEU 46 -3.658 -0.452 7.641 350 HB3 LEU 46 HB3 LEU 46 -4.162 -0.650 9.316 351 HG LEU 46 HG LEU 46 -4.795 1.771 7.578 352 HD11 LEU 46 HD11 LEU 46 -6.002 -0.209 6.804 353 HD12 LEU 46 HD12 LEU 46 -7.098 0.958 7.543 354 HD13 LEU 46 HD13 LEU 46 -6.624 -0.489 8.438 355 HD21 LEU 46 HD21 LEU 46 -6.283 2.462 9.405 356 HD22 LEU 46 HD22 LEU 46 -4.612 2.364 9.954 357 HD23 LEU 46 HD23 LEU 46 -5.754 1.085 10.377 358 H ALA 47 H ALA 47 -0.960 -0.626 7.610 359 HA ALA 47 HA ALA 47 0.039 -2.543 9.402 360 HB1 ALA 47 HB1 ALA 47 1.787 -2.954 7.702 361 HB2 ALA 47 HB2 ALA 47 1.344 -1.451 6.885 362 HB3 ALA 47 HB3 ALA 47 0.192 -2.786 6.959 363 H ARG 48 H ARG 48 1.180 0.752 8.677 364 HA ARG 48 HA ARG 48 3.479 0.933 10.256 365 HB2 ARG 48 HB2 ARG 48 2.932 2.863 8.979 366 HB3 ARG 48 HB3 ARG 48 1.282 2.910 9.576 367 HG2 ARG 48 HG2 ARG 48 2.060 3.689 11.769 368 HG3 ARG 48 HG3 ARG 48 3.734 3.571 11.233 369 HD2 ARG 48 HD2 ARG 48 3.390 5.376 9.626 370 HD3 ARG 48 HD3 ARG 48 1.665 5.441 10.020 371 HE ARG 48 HE ARG 48 2.549 5.946 12.391 372 HH11 ARG 48 HH11 ARG 48 4.070 7.161 9.520 373 HH12 ARG 48 HH12 ARG 48 4.712 8.535 10.345 374 HH21 ARG 48 HH21 ARG 48 3.392 7.701 13.387 375 HH22 ARG 48 HH22 ARG 48 4.332 8.836 12.487 376 H GLU 49 H GLU 49 0.082 1.347 11.218 377 HA GLU 49 HA GLU 49 0.697 1.721 14.034 378 HB2 GLU 49 HB2 GLU 49 -2.026 1.466 12.720 379 HB3 GLU 49 HB3 GLU 49 -1.667 2.188 14.284 380 HG2 GLU 49 HG2 GLU 49 -0.455 4.021 13.108 381 HG3 GLU 49 HG3 GLU 49 -0.909 3.303 11.562 382 H ASN 50 H ASN 50 0.477 -0.994 12.139 383 HA ASN 50 HA ASN 50 0.120 -3.210 12.354 384 HB2 ASN 50 HB2 ASN 50 0.322 -2.597 15.332 385 HB3 ASN 50 HB3 ASN 50 0.270 -4.228 14.671 386 HD21 ASN 50 HD21 ASN 50 2.192 -1.325 14.961 387 HD22 ASN 50 HD22 ASN 50 3.680 -2.037 14.460 388 H LYS 51 H LYS 51 -2.207 -1.320 12.389 389 HA LYS 51 HA LYS 51 -4.378 -2.388 13.896 390 HB2 LYS 51 HB2 LYS 51 -4.342 -0.672 11.377 391 HB3 LYS 51 HB3 LYS 51 -5.767 -0.947 12.374 392 HG2 LYS 51 HG2 LYS 51 -3.301 0.183 13.664 393 HG3 LYS 51 HG3 LYS 51 -4.272 1.241 12.643 394 HD2 LYS 51 HD2 LYS 51 -5.530 -0.352 14.904 395 HD3 LYS 51 HD3 LYS 51 -4.736 1.196 15.205 396 HE2 LYS 51 HE2 LYS 51 -7.065 0.751 13.298 397 HE3 LYS 51 HE3 LYS 51 -7.165 1.480 14.906 398 HZ1 LYS 51 HZ1 LYS 51 -7.086 3.176 13.203 399 HZ2 LYS 51 HZ2 LYS 51 -5.623 2.570 12.603 400 HZ3 LYS 51 HZ3 LYS 51 -5.691 3.246 14.151 401 H VAL 52 H VAL 52 -2.935 -3.331 10.884 402 HA VAL 52 HA VAL 52 -5.046 -5.349 10.398 403 HB VAL 52 HB VAL 52 -4.747 -5.115 7.941 404 HG11 VAL 52 HG11 VAL 52 -6.026 -3.029 7.629 405 HG12 VAL 52 HG12 VAL 52 -5.611 -2.519 9.266 406 HG13 VAL 52 HG13 VAL 52 -6.622 -3.944 9.018 407 HG21 VAL 52 HG21 VAL 52 -3.045 -2.670 8.585 408 HG22 VAL 52 HG22 VAL 52 -3.593 -3.135 6.973 409 HG23 VAL 52 HG23 VAL 52 -2.475 -4.172 7.856 410 H VAL 53 H VAL 53 -4.329 -7.306 9.477 411 HA VAL 53 HA VAL 53 -1.415 -7.848 9.600 412 HB VAL 53 HB VAL 53 -3.664 -9.846 10.147 413 HG11 VAL 53 HG11 VAL 53 -1.862 -11.340 10.929 414 HG12 VAL 53 HG12 VAL 53 -0.657 -10.123 10.528 415 HG13 VAL 53 HG13 VAL 53 -1.603 -10.879 9.248 416 HG21 VAL 53 HG21 VAL 53 -3.589 -8.179 11.961 417 HG22 VAL 53 HG22 VAL 53 -1.856 -8.445 12.161 418 HG23 VAL 53 HG23 VAL 53 -2.997 -9.741 12.535 419 H ILE 54 H ILE 54 -0.658 -8.025 7.571 420 HA ILE 54 HA ILE 54 -2.300 -8.990 5.353 421 HB ILE 54 HB ILE 54 0.571 -7.927 5.380 422 HG12 ILE 54 HG12 ILE 54 -0.530 -6.022 3.983 423 HG13 ILE 54 HG13 ILE 54 -2.075 -6.653 4.534 424 HG21 ILE 54 HG21 ILE 54 0.364 -9.554 3.570 425 HG22 ILE 54 HG22 ILE 54 0.456 -7.927 2.897 426 HG23 ILE 54 HG23 ILE 54 -1.099 -8.760 2.980 427 HD11 ILE 54 HD11 ILE 54 -1.444 -6.161 6.844 428 HD12 ILE 54 HD12 ILE 54 -1.359 -4.726 5.825 429 HD13 ILE 54 HD13 ILE 54 0.123 -5.560 6.293 430 H GLU 55 H GLU 55 -2.531 -11.158 5.212 431 HA GLU 55 HA GLU 55 -0.186 -12.939 5.635 432 HB2 GLU 55 HB2 GLU 55 -3.129 -13.538 6.211 433 HB3 GLU 55 HB3 GLU 55 -1.815 -14.709 6.350 434 HG2 GLU 55 HG2 GLU 55 -0.761 -13.298 8.090 435 HG3 GLU 55 HG3 GLU 55 -2.096 -12.157 7.970 436 H ARG 56 H ARG 56 0.516 -13.829 3.816 437 HA ARG 56 HA ARG 56 -1.060 -13.905 1.364 438 HB2 ARG 56 HB2 ARG 56 1.824 -14.772 1.875 439 HB3 ARG 56 HB3 ARG 56 1.056 -14.621 0.293 440 HG2 ARG 56 HG2 ARG 56 0.825 -12.194 0.609 441 HG3 ARG 56 HG3 ARG 56 1.516 -12.323 2.233 442 HD2 ARG 56 HD2 ARG 56 3.631 -13.201 1.197 443 HD3 ARG 56 HD3 ARG 56 2.933 -12.897 -0.397 444 HE ARG 56 HE ARG 56 3.492 -10.792 1.614 445 HH11 ARG 56 HH11 ARG 56 3.266 -11.715 -1.708 446 HH12 ARG 56 HH12 ARG 56 3.948 -10.231 -2.262 447 HH21 ARG 56 HH21 ARG 56 4.327 -8.927 0.909 448 HH22 ARG 56 HH22 ARG 56 4.541 -8.655 -0.786 449 H LYS 57 H LYS 57 -2.496 -15.506 1.326 450 HA LYS 57 HA LYS 57 -1.786 -18.251 2.239 451 HB2 LYS 57 HB2 LYS 57 -4.523 -16.897 2.175 452 HB3 LYS 57 HB3 LYS 57 -4.181 -18.513 2.794 453 HG2 LYS 57 HG2 LYS 57 -2.879 -17.594 4.636 454 HG3 LYS 57 HG3 LYS 57 -2.997 -15.966 3.962 455 HD2 LYS 57 HD2 LYS 57 -4.551 -16.187 5.821 456 HD3 LYS 57 HD3 LYS 57 -5.462 -16.013 4.320 457 HE2 LYS 57 HE2 LYS 57 -6.469 -17.725 5.769 458 HE3 LYS 57 HE3 LYS 57 -5.855 -18.460 4.289 459 HZ1 LYS 57 HZ1 LYS 57 -3.974 -19.284 5.450 460 HZ2 LYS 57 HZ2 LYS 57 -5.340 -19.696 6.361 461 HZ3 LYS 57 HZ3 LYS 57 -4.354 -18.408 6.843 462 H ASN 58 H ASN 58 -1.500 -19.611 0.519 463 HA ASN 58 HA ASN 58 -1.332 -20.364 -1.610 464 HB2 ASN 58 HB2 ASN 58 -4.285 -19.594 -1.712 465 HB3 ASN 58 HB3 ASN 58 -3.480 -20.689 -2.834 466 HD21 ASN 58 HD21 ASN 58 -4.657 -20.296 0.427 467 HD22 ASN 58 HD22 ASN 58 -4.575 -21.958 0.875 468 H GLY 59 H GLY 59 -0.518 -17.680 -1.252 469 HA2 GLY 59 HA2 GLY 59 0.338 -15.998 -2.616 470 HA3 GLY 59 HA3 GLY 59 -0.599 -16.620 -3.961 471 H LEU 60 H LEU 60 -2.907 -16.341 -1.705 472 HA LEU 60 HA LEU 60 -3.931 -13.848 -2.778 473 HB2 LEU 60 HB2 LEU 60 -5.111 -15.682 -0.648 474 HB3 LEU 60 HB3 LEU 60 -5.953 -14.357 -1.442 475 HG LEU 60 HG LEU 60 -4.988 -16.913 -2.794 476 HD11 LEU 60 HD11 LEU 60 -7.815 -16.035 -2.114 477 HD12 LEU 60 HD12 LEU 60 -6.897 -17.312 -1.313 478 HD13 LEU 60 HD13 LEU 60 -7.360 -17.495 -3.002 479 HD21 LEU 60 HD21 LEU 60 -4.899 -15.035 -4.360 480 HD22 LEU 60 HD22 LEU 60 -6.569 -14.603 -3.981 481 HD23 LEU 60 HD23 LEU 60 -6.209 -16.134 -4.786 482 H ILE 61 H ILE 61 -2.984 -12.037 -1.960 483 HA ILE 61 HA ILE 61 -2.195 -11.655 0.760 484 HB ILE 61 HB ILE 61 -2.717 -9.658 -1.488 485 HG12 ILE 61 HG12 ILE 61 -0.116 -10.809 -0.375 486 HG13 ILE 61 HG13 ILE 61 -0.866 -11.258 -1.903 487 HG21 ILE 61 HG21 ILE 61 -1.417 -9.100 1.200 488 HG22 ILE 61 HG22 ILE 61 -2.972 -8.477 0.647 489 HG23 ILE 61 HG23 ILE 61 -1.486 -7.977 -0.159 490 HD11 ILE 61 HD11 ILE 61 0.298 -8.559 -1.219 491 HD12 ILE 61 HD12 ILE 61 -0.466 -8.993 -2.750 492 HD13 ILE 61 HD13 ILE 61 1.019 -9.796 -2.246 493 H GLU 62 H GLU 62 -3.685 -11.849 2.295 494 HA GLU 62 HA GLU 62 -6.394 -10.692 1.976 495 HB2 GLU 62 HB2 GLU 62 -5.411 -13.085 3.592 496 HB3 GLU 62 HB3 GLU 62 -7.018 -12.389 3.789 497 HG2 GLU 62 HG2 GLU 62 -5.960 -13.511 1.173 498 HG3 GLU 62 HG3 GLU 62 -6.923 -14.432 2.327 499 H ILE 63 H ILE 63 -6.877 -9.013 3.238 500 HA ILE 63 HA ILE 63 -5.023 -8.169 5.347 501 HB ILE 63 HB ILE 63 -7.332 -6.693 3.988 502 HG12 ILE 63 HG12 ILE 63 -5.465 -5.157 3.166 503 HG13 ILE 63 HG13 ILE 63 -4.303 -6.310 3.805 504 HG21 ILE 63 HG21 ILE 63 -5.480 -5.624 6.147 505 HG22 ILE 63 HG22 ILE 63 -7.209 -5.937 6.313 506 HG23 ILE 63 HG23 ILE 63 -6.646 -4.665 5.229 507 HD11 ILE 63 HD11 ILE 63 -4.557 -6.525 1.413 508 HD12 ILE 63 HD12 ILE 63 -6.287 -6.816 1.591 509 HD13 ILE 63 HD13 ILE 63 -5.124 -7.987 2.219 510 H TYR 64 H TYR 64 -5.448 -9.318 7.124 511 HA TYR 64 HA TYR 64 -8.136 -9.563 8.264 512 HB2 TYR 64 HB2 TYR 64 -5.401 -10.560 9.169 513 HB3 TYR 64 HB3 TYR 64 -6.876 -10.811 10.096 514 HD1 TYR 64 HD1 TYR 64 -5.178 -11.657 6.878 515 HD2 TYR 64 HD2 TYR 64 -8.415 -12.573 9.514 516 HE1 TYR 64 HE1 TYR 64 -5.631 -13.717 5.618 517 HE2 TYR 64 HE2 TYR 64 -8.865 -14.624 8.252 518 HH TYR 64 HH TYR 64 -8.476 -15.466 5.922 519 H ASN 65 H ASN 65 -8.228 -9.119 10.724 520 HA ASN 65 HA ASN 65 -7.332 -6.386 11.295 521 HB2 ASN 65 HB2 ASN 65 -9.699 -7.223 11.738 522 HB3 ASN 65 HB3 ASN 65 -9.041 -8.227 13.024 523 HD21 ASN 65 HD21 ASN 65 -7.970 -4.921 12.276 524 HD22 ASN 65 HD22 ASN 65 -8.578 -4.230 13.734 525 H GLU 66 H GLU 66 -6.195 -5.829 13.261 526 HA GLU 66 HA GLU 66 -4.029 -7.281 14.130 527 HB2 GLU 66 HB2 GLU 66 -4.591 -4.840 14.594 528 HB3 GLU 66 HB3 GLU 66 -5.638 -5.381 15.895 529 HG2 GLU 66 HG2 GLU 66 -2.673 -6.028 15.820 530 HG3 GLU 66 HG3 GLU 66 -3.290 -4.532 16.506 531 H GLY 67 H GLY 67 -3.793 -9.113 15.286 532 HA2 GLY 67 HA2 GLY 67 -4.775 -10.313 17.383 533 HA3 GLY 67 HA3 GLY 67 -6.205 -10.436 16.364 534 H HIS 68 H HIS 68 -3.377 -10.602 14.496 535 HA HIS 68 HA HIS 68 -3.262 -13.578 14.623 536 HB2 HIS 68 HB2 HIS 68 -2.962 -11.731 12.230 537 HB3 HIS 68 HB3 HIS 68 -2.505 -13.428 12.185 538 HD1 HIS 68 HD1 HIS 68 -4.265 -14.953 11.396 539 HD2 HIS 68 HD2 HIS 68 -5.867 -11.407 12.844 540 HE1 HIS 68 HE1 HIS 68 -6.730 -15.123 10.989 541 HE2 HIS 68 HE2 HIS 68 -7.696 -13.048 12.031 542 H PHE 69 H PHE 69 -1.356 -10.641 14.773 543 HA PHE 69 HA PHE 69 1.227 -11.874 14.213 544 HB2 PHE 69 HB2 PHE 69 0.404 -9.105 15.184 545 HB3 PHE 69 HB3 PHE 69 2.095 -9.578 15.115 546 HD1 PHE 69 HD1 PHE 69 2.170 -11.091 12.520 547 HD2 PHE 69 HD2 PHE 69 0.262 -7.398 13.551 548 HE1 PHE 69 HE1 PHE 69 2.377 -10.325 10.191 549 HE2 PHE 69 HE2 PHE 69 0.461 -6.647 11.217 550 HZ PHE 69 HZ PHE 69 1.519 -8.107 9.534 551 H ASP 70 H ASP 70 -0.538 -12.671 16.718 552 HA ASP 70 HA ASP 70 0.845 -11.858 19.063 553 HB2 ASP 70 HB2 ASP 70 -0.936 -14.291 18.647 554 HB3 ASP 70 HB3 ASP 70 -0.488 -13.593 20.206 555 H PHE 71 H PHE 71 1.595 -14.387 16.787 556 HA PHE 71 HA PHE 71 3.380 -15.812 18.647 557 HB2 PHE 71 HB2 PHE 71 3.599 -17.499 16.925 558 HB3 PHE 71 HB3 PHE 71 1.897 -17.087 17.062 559 HD1 PHE 71 HD1 PHE 71 0.849 -15.575 15.269 560 HD2 PHE 71 HD2 PHE 71 4.753 -17.273 14.824 561 HE1 PHE 71 HE1 PHE 71 0.759 -15.171 12.843 562 HE2 PHE 71 HE2 PHE 71 4.651 -16.861 12.402 563 HZ PHE 71 HZ PHE 71 2.655 -15.810 11.409 564 H SER 72 H SER 72 3.769 -13.002 17.072 565 HA SER 72 HA SER 72 5.858 -13.334 15.204 566 HB2 SER 72 HB2 SER 72 6.119 -10.869 15.302 567 HB3 SER 72 HB3 SER 72 4.420 -11.330 15.231 568 HG SER 72 HG SER 72 4.158 -10.271 17.008 569 H PHE 73 H PHE 73 8.006 -13.275 15.288 570 HA PHE 73 HA PHE 73 9.471 -12.806 17.815 571 HB2 PHE 73 HB2 PHE 73 10.959 -14.787 17.147 572 HB3 PHE 73 HB3 PHE 73 9.345 -15.201 17.704 573 HD1 PHE 73 HD2 PHE 73 11.532 -15.015 14.698 574 HD2 PHE 73 HD1 PHE 73 7.727 -16.257 16.220 575 HE1 PHE 73 HE2 PHE 73 11.122 -16.304 12.645 576 HE2 PHE 73 HE1 PHE 73 7.329 -17.539 14.163 577 HZ PHE 73 HZ PHE 73 9.024 -17.568 12.375 578 H GLY 74 H GLY 74 11.871 -12.522 17.380 579 HA2 GLY 74 HA2 GLY 74 12.292 -10.972 14.864 580 HA3 GLY 74 HA3 GLY 74 12.879 -10.458 16.438 581 H LEU 75 H LEU 75 13.054 -13.405 14.405 582 HA LEU 75 HA LEU 75 15.926 -13.693 15.031 583 HB2 LEU 75 HB2 LEU 75 13.897 -15.604 13.825 584 HB3 LEU 75 HB3 LEU 75 15.621 -15.914 13.722 585 HG LEU 75 HG LEU 75 15.742 -15.946 16.230 586 HD11 LEU 75 HD11 LEU 75 13.720 -16.147 17.582 587 HD12 LEU 75 HD12 LEU 75 12.719 -15.824 16.165 588 HD13 LEU 75 HD13 LEU 75 13.797 -14.574 16.789 589 HD21 LEU 75 HD21 LEU 75 13.809 -17.957 15.028 590 HD22 LEU 75 HD22 LEU 75 14.741 -18.175 16.511 591 HD23 LEU 75 HD23 LEU 75 15.573 -18.044 14.963 592 H GLU 76 H GLU 76 17.256 -12.608 13.700 593 HA GLU 76 HA GLU 76 16.756 -12.228 10.866 594 HB2 GLU 76 HB2 GLU 76 19.073 -11.535 12.703 595 HB3 GLU 76 HB3 GLU 76 19.230 -11.378 10.959 596 HG2 GLU 76 HG2 GLU 76 18.683 -9.225 11.965 597 HG3 GLU 76 HG3 GLU 76 17.392 -9.764 10.897 598 H HIS 77 H HIS 77 18.186 -13.028 9.174 599 HA HIS 77 HA HIS 77 19.125 -15.804 9.695 600 HB2 HIS 77 HB2 HIS 77 17.403 -14.961 7.322 601 HB3 HIS 77 HB3 HIS 77 17.905 -16.597 7.738 602 HD1 HIS 77 HD1 HIS 77 16.842 -17.531 10.069 603 HD2 HIS 77 HD2 HIS 77 14.973 -14.242 8.351 604 HE1 HIS 77 HE1 HIS 77 14.602 -17.378 11.184 605 HE2 HIS 77 HE2 HIS 77 13.559 -15.291 10.244 606 H HIS 78 H HIS 78 21.067 -16.238 8.871 607 HA HIS 78 HA HIS 78 23.089 -15.968 7.837 608 HB2 HIS 78 HB2 HIS 78 22.852 -16.654 5.367 609 HB3 HIS 78 HB3 HIS 78 22.183 -17.723 6.589 610 HD1 HIS 78 HD1 HIS 78 20.909 -14.945 4.294 611 HD2 HIS 78 HD2 HIS 78 19.639 -18.518 5.991 612 HE1 HIS 78 HE1 HIS 78 18.623 -15.350 3.359 613 HE2 HIS 78 HE2 HIS 78 17.962 -17.598 4.249 614 H HIS 79 H HIS 79 23.542 -13.717 8.309 615 HA HIS 79 HA HIS 79 23.166 -11.661 6.329 616 HB2 HIS 79 HB2 HIS 79 23.394 -11.061 8.701 617 HB3 HIS 79 HB3 HIS 79 25.008 -11.761 8.761 618 HD1 HIS 79 HD1 HIS 79 23.174 -8.931 6.993 619 HD2 HIS 79 HD2 HIS 79 27.005 -9.942 8.233 620 HE1 HIS 79 HE1 HIS 79 24.597 -6.941 6.453 621 HE2 HIS 79 HE2 HIS 79 26.939 -7.680 6.993 622 H HIS 80 H HIS 80 25.872 -13.854 7.143 623 HA HIS 80 HA HIS 80 27.684 -12.624 5.244 624 HB2 HIS 80 HB2 HIS 80 29.283 -14.384 5.815 625 HB3 HIS 80 HB3 HIS 80 28.598 -13.685 7.271 626 HD1 HIS 80 HD1 HIS 80 27.489 -15.273 8.895 627 HD2 HIS 80 HD2 HIS 80 28.376 -17.083 5.266 628 HE1 HIS 80 HE1 HIS 80 27.123 -17.725 9.262 629 HE2 HIS 80 HE2 HIS 80 27.861 -18.811 7.117 630 H HIS 81 H HIS 81 28.279 -13.302 3.241 631 HA HIS 81 HA HIS 81 27.073 -15.698 2.001 632 HB2 HIS 81 HB2 HIS 81 27.020 -12.927 0.698 633 HB3 HIS 81 HB3 HIS 81 26.410 -14.420 -0.008 634 HD1 HIS 81 HD1 HIS 81 24.295 -15.506 1.354 635 HD2 HIS 81 HD2 HIS 81 25.155 -11.517 2.120 636 HE1 HIS 81 HE1 HIS 81 22.274 -14.605 2.532 637 HE2 HIS 81 HE2 HIS 81 22.769 -12.166 2.868 638 H HIS 82 H HIS 82 28.088 -15.788 -0.411 639 HA HIS 82 HA HIS 82 31.024 -15.681 -0.069 640 HB2 HIS 82 HB2 HIS 82 29.279 -17.126 -2.105 641 HB3 HIS 82 HB3 HIS 82 31.040 -17.163 -2.114 642 HD1 HIS 82 HD1 HIS 82 32.089 -19.016 -0.823 643 HD2 HIS 82 HD2 HIS 82 28.183 -18.318 0.404 644 HE1 HIS 82 HE1 HIS 82 31.556 -20.853 0.797 645 HE2 HIS 82 HE2 HIS 82 29.156 -20.477 1.442 646 H1 MET 1 H MET 1 1.620 -12.774 7.970 647 HA MET 1 HA MET 1 4.113 -12.876 9.355 648 HB2 MET 1 HB2 MET 1 3.294 -14.791 8.030 649 HB3 MET 1 HB3 MET 1 3.400 -13.845 6.554 650 HG2 MET 1 HG2 MET 1 5.863 -13.724 6.837 651 HG3 MET 1 HG3 MET 1 5.725 -14.742 8.274 652 HE1 MET 1 HE1 MET 1 7.315 -17.103 5.490 653 HE2 MET 1 HE2 MET 1 7.551 -16.428 7.102 654 HE3 MET 1 HE3 MET 1 7.593 -15.372 5.688 655 H ASP 2 H ASP 2 2.900 -10.836 6.782 656 HA ASP 2 HA ASP 2 5.302 -10.022 5.565 657 HB2 ASP 2 HB2 ASP 2 2.513 -8.933 5.605 658 HB3 ASP 2 HB3 ASP 2 3.770 -7.837 5.056 659 H LYS 3 H LYS 3 4.404 -9.283 8.749 660 HA LYS 3 HA LYS 3 5.124 -6.663 9.225 661 HB2 LYS 3 HB2 LYS 3 4.259 -8.201 10.944 662 HB3 LYS 3 HB3 LYS 3 5.771 -9.089 10.936 663 HG2 LYS 3 HG2 LYS 3 5.903 -7.790 12.877 664 HG3 LYS 3 HG3 LYS 3 6.874 -6.874 11.730 665 HD2 LYS 3 HD2 LYS 3 3.952 -6.242 12.318 666 HD3 LYS 3 HD3 LYS 3 5.276 -5.536 13.235 667 HE2 LYS 3 HE2 LYS 3 6.132 -4.545 11.060 668 HE3 LYS 3 HE3 LYS 3 4.653 -5.128 10.290 669 HZ1 LYS 3 HZ1 LYS 3 4.444 -2.831 10.937 670 HZ2 LYS 3 HZ2 LYS 3 4.798 -3.213 12.546 671 HZ3 LYS 3 HZ3 LYS 3 3.375 -3.786 11.836 672 H LYS 4 H LYS 4 7.376 -9.410 8.860 673 HA LYS 4 HA LYS 4 9.737 -7.670 9.010 674 HB2 LYS 4 HB2 LYS 4 9.470 -10.683 8.721 675 HB3 LYS 4 HB3 LYS 4 11.017 -9.841 8.761 676 HG2 LYS 4 HG2 LYS 4 8.963 -9.876 11.011 677 HG3 LYS 4 HG3 LYS 4 10.444 -10.837 10.954 678 HD2 LYS 4 HD2 LYS 4 10.328 -7.786 11.011 679 HD3 LYS 4 HD3 LYS 4 10.671 -8.813 12.402 680 HE2 LYS 4 HE2 LYS 4 12.737 -9.607 11.356 681 HE3 LYS 4 HE3 LYS 4 12.376 -8.711 9.881 682 HZ1 LYS 4 HZ1 LYS 4 13.995 -7.590 11.265 683 HZ2 LYS 4 HZ2 LYS 4 12.890 -7.504 12.542 684 HZ3 LYS 4 HZ3 LYS 4 12.591 -6.657 11.106 685 H ILE 5 H ILE 5 7.907 -9.500 6.606 686 HA ILE 5 HA ILE 5 9.785 -9.572 4.498 687 HB ILE 5 HB ILE 5 6.744 -9.549 4.278 688 HG12 ILE 5 HG12 ILE 5 8.652 -11.924 4.529 689 HG13 ILE 5 HG13 ILE 5 7.571 -11.343 5.792 690 HG21 ILE 5 HG21 ILE 5 7.771 -9.125 2.088 691 HG22 ILE 5 HG22 ILE 5 7.056 -10.737 2.119 692 HG23 ILE 5 HG23 ILE 5 8.804 -10.547 2.271 693 HD11 ILE 5 HD11 ILE 5 6.734 -12.548 3.150 694 HD12 ILE 5 HD12 ILE 5 5.637 -11.945 4.396 695 HD13 ILE 5 HD13 ILE 5 6.678 -13.326 4.732 696 H VAL 6 H VAL 6 7.322 -7.138 5.306 697 HA VAL 6 HA VAL 6 7.537 -5.476 3.042 698 HB VAL 6 HB VAL 6 6.487 -3.685 4.451 699 HG11 VAL 6 HG11 VAL 6 4.363 -4.865 4.904 700 HG12 VAL 6 HG12 VAL 6 5.184 -6.417 4.719 701 HG13 VAL 6 HG13 VAL 6 5.048 -5.322 3.345 702 HG21 VAL 6 HG21 VAL 6 5.848 -4.190 6.799 703 HG22 VAL 6 HG22 VAL 6 7.599 -4.153 6.601 704 HG23 VAL 6 HG23 VAL 6 6.760 -5.700 6.724 705 H GLY 7 H GLY 7 9.500 -5.637 5.982 706 HA2 GLY 7 HA2 GLY 7 10.968 -3.227 5.675 707 HA3 GLY 7 HA3 GLY 7 11.496 -4.653 6.558 708 H ALA 8 H ALA 8 11.516 -6.506 4.432 709 HA ALA 8 HA ALA 8 14.075 -5.981 3.249 710 HB1 ALA 8 HB1 ALA 8 12.148 -8.274 2.744 711 HB2 ALA 8 HB2 ALA 8 13.388 -8.228 3.996 712 HB3 ALA 8 HB3 ALA 8 13.858 -8.233 2.296 713 H ASN 9 H ASN 9 10.792 -6.385 1.811 714 HA ASN 9 HA ASN 9 11.716 -6.116 -0.882 715 HB2 ASN 9 HB2 ASN 9 9.287 -6.152 -1.502 716 HB3 ASN 9 HB3 ASN 9 9.786 -7.492 -0.484 717 HD21 ASN 9 HD21 ASN 9 7.716 -7.919 0.287 718 HD22 ASN 9 HD22 ASN 9 6.863 -6.856 1.344 719 H ALA 10 H ALA 10 10.488 -3.768 1.435 720 HA ALA 10 HA ALA 10 9.864 -1.672 -0.430 721 HB1 ALA 10 HB1 ALA 10 10.424 -1.513 2.547 722 HB2 ALA 10 HB2 ALA 10 8.846 -1.785 1.806 723 HB3 ALA 10 HB3 ALA 10 9.677 -0.249 1.562 724 H GLY 11 H GLY 11 12.777 -2.723 1.202 725 HA2 GLY 11 HA2 GLY 11 14.429 -0.449 0.871 726 HA3 GLY 11 HA3 GLY 11 14.983 -2.112 1.011 727 H LYS 12 H LYS 12 13.745 -3.191 -1.262 728 HA LYS 12 HA LYS 12 15.505 -2.454 -3.390 729 HB2 LYS 12 HB2 LYS 12 14.729 -4.772 -3.083 730 HB3 LYS 12 HB3 LYS 12 13.065 -4.277 -3.373 731 HG2 LYS 12 HG2 LYS 12 13.577 -3.737 -5.695 732 HG3 LYS 12 HG3 LYS 12 15.291 -4.078 -5.439 733 HD2 LYS 12 HD2 LYS 12 13.038 -6.120 -5.200 734 HD3 LYS 12 HD3 LYS 12 14.093 -5.935 -6.605 735 HE2 LYS 12 HE2 LYS 12 16.053 -6.520 -5.195 736 HE3 LYS 12 HE3 LYS 12 14.987 -6.713 -3.803 737 HZ1 LYS 12 HZ1 LYS 12 13.886 -8.519 -4.915 738 HZ2 LYS 12 HZ2 LYS 12 15.547 -8.817 -4.858 739 HZ3 LYS 12 HZ3 LYS 12 14.832 -8.308 -6.299 740 H VAL 13 H VAL 13 12.034 -1.895 -2.760 741 HA VAL 13 HA VAL 13 11.364 -0.587 -5.178 742 HB VAL 13 HB VAL 13 10.107 -0.294 -2.414 743 HG11 VAL 13 HG11 VAL 13 8.992 0.604 -5.103 744 HG12 VAL 13 HG12 VAL 13 9.495 1.660 -3.779 745 HG13 VAL 13 HG13 VAL 13 8.099 0.600 -3.580 746 HG21 VAL 13 HG21 VAL 13 8.400 -1.874 -3.275 747 HG22 VAL 13 HG22 VAL 13 10.009 -2.595 -3.294 748 HG23 VAL 13 HG23 VAL 13 9.289 -2.008 -4.796 749 H TRP 14 H TRP 14 12.388 0.771 -2.040 750 HA TRP 14 HA TRP 14 12.358 3.506 -2.806 751 HB2 TRP 14 HB2 TRP 14 12.374 2.560 -0.412 752 HB3 TRP 14 HB3 TRP 14 14.107 2.338 -0.598 753 HD1 TRP 14 HD1 TRP 14 11.472 5.076 -0.061 754 HE1 TRP 14 HE1 TRP 14 12.669 7.277 0.534 755 HE3 TRP 14 HE3 TRP 14 16.242 3.654 -1.020 756 HZ2 TRP 14 HZ2 TRP 14 15.319 8.275 0.593 757 HZ3 TRP 14 HZ3 TRP 14 18.083 5.272 -0.679 758 HH2 TRP 14 HH2 TRP 14 17.619 7.543 0.108 759 H HIS 15 H HIS 15 14.872 1.019 -2.940 760 HA HIS 15 HA HIS 15 17.075 2.564 -3.818 761 HB2 HIS 15 HB2 HIS 15 17.224 0.212 -3.021 762 HB3 HIS 15 HB3 HIS 15 16.374 -0.338 -4.456 763 HD1 HIS 15 HD1 HIS 15 17.712 -0.355 -6.678 764 HD2 HIS 15 HD2 HIS 15 19.950 0.727 -3.363 765 HE1 HIS 15 HE1 HIS 15 20.094 -0.548 -7.403 766 HE2 HIS 15 HE2 HIS 15 21.416 -0.132 -5.313 767 H ALA 16 H ALA 16 14.432 0.991 -5.609 768 HA ALA 16 HA ALA 16 15.209 1.734 -8.246 769 HB1 ALA 16 HB1 ALA 16 12.925 1.102 -8.894 770 HB2 ALA 16 HB2 ALA 16 12.436 1.079 -7.197 771 HB3 ALA 16 HB3 ALA 16 13.614 -0.092 -7.791 772 H LEU 17 H LEU 17 13.313 3.374 -5.755 773 HA LEU 17 HA LEU 17 12.442 5.600 -7.357 774 HB2 LEU 17 HB2 LEU 17 12.726 5.329 -4.342 775 HB3 LEU 17 HB3 LEU 17 11.875 6.635 -5.160 776 HG LEU 17 HG LEU 17 11.061 3.705 -5.321 777 HD11 LEU 17 HD11 LEU 17 9.854 5.884 -3.598 778 HD12 LEU 17 HD12 LEU 17 10.842 4.531 -3.027 779 HD13 LEU 17 HD13 LEU 17 9.266 4.225 -3.765 780 HD21 LEU 17 HD21 LEU 17 10.344 5.018 -7.267 781 HD22 LEU 17 HD22 LEU 17 9.577 6.203 -6.205 782 HD23 LEU 17 HD23 LEU 17 8.964 4.547 -6.275 783 H ASN 18 H ASN 18 15.328 4.884 -5.466 784 HA ASN 18 HA ASN 18 16.276 7.589 -5.226 785 HB2 ASN 18 HB2 ASN 18 16.858 5.635 -3.670 786 HB3 ASN 18 HB3 ASN 18 17.943 5.045 -4.924 787 HD21 ASN 18 HD21 ASN 18 19.868 6.202 -5.327 788 HD22 ASN 18 HD22 ASN 18 20.460 7.402 -4.243 789 H GLU 19 H GLU 19 16.554 5.081 -7.646 790 HA GLU 19 HA GLU 19 18.550 6.573 -9.218 791 HB2 GLU 19 HB2 GLU 19 18.580 4.592 -10.692 792 HB3 GLU 19 HB3 GLU 19 18.888 4.151 -9.017 793 HG2 GLU 19 HG2 GLU 19 16.527 3.403 -8.804 794 HG3 GLU 19 HG3 GLU 19 16.264 3.786 -10.500 795 H ALA 20 H ALA 20 15.096 5.798 -9.184 796 HA ALA 20 HA ALA 20 14.453 7.882 -11.064 797 HB1 ALA 20 HB1 ALA 20 13.428 6.492 -12.821 798 HB2 ALA 20 HB2 ALA 20 13.947 5.025 -11.987 799 HB3 ALA 20 HB3 ALA 20 15.149 6.124 -12.667 800 H ASP 21 H ASP 21 13.051 8.648 -9.432 801 HA ASP 21 HA ASP 21 10.777 6.981 -8.575 802 HB2 ASP 21 HB2 ASP 21 10.341 8.741 -6.917 803 HB3 ASP 21 HB3 ASP 21 12.012 8.201 -6.825 804 H GLY 22 H GLY 22 8.675 8.514 -8.244 805 HA2 GLY 22 HA2 GLY 22 6.937 9.665 -9.222 806 HA3 GLY 22 HA3 GLY 22 8.087 10.379 -10.343 807 H ILE 23 H ILE 23 7.367 6.963 -9.839 808 HA ILE 23 HA ILE 23 6.462 6.703 -12.654 809 HB ILE 23 HB ILE 23 8.743 5.809 -12.359 810 HG12 ILE 23 HG12 ILE 23 6.741 3.533 -12.730 811 HG13 ILE 23 HG13 ILE 23 7.203 4.683 -13.979 812 HG21 ILE 23 HG21 ILE 23 8.688 5.281 -9.968 813 HG22 ILE 23 HG22 ILE 23 9.248 3.893 -10.903 814 HG23 ILE 23 HG23 ILE 23 7.598 3.924 -10.275 815 HD11 ILE 23 HD11 ILE 23 9.011 2.659 -12.661 816 HD12 ILE 23 HD12 ILE 23 9.506 3.829 -13.888 817 HD13 ILE 23 HD13 ILE 23 8.331 2.577 -14.287 818 H SER 24 H SER 24 4.825 5.122 -13.090 819 HA SER 24 HA SER 24 2.779 4.787 -11.182 820 HB2 SER 24 HB2 SER 24 3.187 3.091 -13.682 821 HB3 SER 24 HB3 SER 24 1.663 3.375 -12.831 822 HG SER 24 HG SER 24 3.005 4.936 -14.649 823 H ILE 25 H ILE 25 2.184 3.092 -9.840 824 HA ILE 25 HA ILE 25 4.079 1.428 -8.678 825 HB ILE 25 HB ILE 25 1.059 1.009 -8.687 826 HG12 ILE 25 HG12 ILE 25 2.799 2.511 -6.675 827 HG13 ILE 25 HG13 ILE 25 1.754 3.265 -7.871 828 HG21 ILE 25 HG21 ILE 25 2.187 -1.032 -7.920 829 HG22 ILE 25 HG22 ILE 25 1.375 -0.244 -6.571 830 HG23 ILE 25 HG23 ILE 25 3.126 -0.102 -6.747 831 HD11 ILE 25 HD11 ILE 25 0.735 3.310 -5.679 832 HD12 ILE 25 HD12 ILE 25 0.844 1.555 -5.551 833 HD13 ILE 25 HD13 ILE 25 -0.212 2.290 -6.762 834 HA PRO 26 HA PRO 26 2.452 -2.397 -11.356 835 HB2 PRO 26 HB2 PRO 26 1.481 -1.800 -13.899 836 HB3 PRO 26 HB3 PRO 26 0.457 -2.070 -12.483 837 HG2 PRO 26 HG2 PRO 26 1.439 0.539 -13.637 838 HG3 PRO 26 HG3 PRO 26 -0.202 0.099 -13.115 839 HD2 PRO 26 HD2 PRO 26 1.367 1.553 -11.509 840 HD3 PRO 26 HD3 PRO 26 0.344 0.269 -10.821 841 H GLU 27 H GLU 27 3.979 0.403 -12.912 842 HA GLU 27 HA GLU 27 5.637 -1.107 -14.763 843 HB2 GLU 27 HB2 GLU 27 5.873 1.770 -13.777 844 HB3 GLU 27 HB3 GLU 27 6.800 1.076 -15.113 845 HG2 GLU 27 HG2 GLU 27 4.652 0.702 -16.342 846 HG3 GLU 27 HG3 GLU 27 3.801 1.524 -15.031 847 H LEU 28 H LEU 28 6.134 0.725 -11.824 848 HA LEU 28 HA LEU 28 8.757 0.191 -11.114 849 HB2 LEU 28 HB2 LEU 28 7.354 1.882 -10.086 850 HB3 LEU 28 HB3 LEU 28 6.232 0.664 -9.509 851 HG LEU 28 HG LEU 28 8.005 -0.168 -7.950 852 HD11 LEU 28 HD11 LEU 28 9.956 1.257 -7.461 853 HD12 LEU 28 HD12 LEU 28 9.559 2.277 -8.847 854 HD13 LEU 28 HD13 LEU 28 10.019 0.590 -9.092 855 HD21 LEU 28 HD21 LEU 28 6.222 1.329 -7.223 856 HD22 LEU 28 HD22 LEU 28 7.202 2.736 -7.654 857 HD23 LEU 28 HD23 LEU 28 7.719 1.668 -6.343 858 H ALA 29 H ALA 29 5.841 -1.735 -10.534 859 HA ALA 29 HA ALA 29 6.799 -3.759 -8.854 860 HB1 ALA 29 HB1 ALA 29 4.415 -3.423 -9.373 861 HB2 ALA 29 HB2 ALA 29 4.895 -5.094 -9.672 862 HB3 ALA 29 HB3 ALA 29 4.684 -3.978 -11.027 863 H ARG 30 H ARG 30 6.879 -3.531 -12.397 864 HA ARG 30 HA ARG 30 7.989 -6.143 -12.857 865 HB2 ARG 30 HB2 ARG 30 7.970 -3.758 -14.752 866 HB3 ARG 30 HB3 ARG 30 8.171 -5.452 -15.197 867 HG2 ARG 30 HG2 ARG 30 5.660 -4.148 -14.090 868 HG3 ARG 30 HG3 ARG 30 5.916 -4.703 -15.745 869 HD2 ARG 30 HD2 ARG 30 6.044 -7.033 -14.960 870 HD3 ARG 30 HD3 ARG 30 5.864 -6.495 -13.285 871 HE ARG 30 HE ARG 30 3.651 -5.537 -14.674 872 HH11 ARG 30 HH11 ARG 30 4.946 -8.661 -13.915 873 HH12 ARG 30 HH12 ARG 30 3.392 -9.407 -13.864 874 HH21 ARG 30 HH21 ARG 30 1.679 -6.529 -14.603 875 HH22 ARG 30 HH22 ARG 30 1.566 -8.219 -14.256 876 H LYS 31 H LYS 31 9.346 -2.988 -12.178 877 HA LYS 31 HA LYS 31 12.070 -3.560 -12.948 878 HB2 LYS 31 HB2 LYS 31 11.004 -1.439 -11.033 879 HB3 LYS 31 HB3 LYS 31 12.620 -1.473 -11.738 880 HG2 LYS 31 HG2 LYS 31 11.620 -1.177 -13.993 881 HG3 LYS 31 HG3 LYS 31 10.015 -1.118 -13.258 882 HD2 LYS 31 HD2 LYS 31 10.722 1.155 -13.678 883 HD3 LYS 31 HD3 LYS 31 10.756 0.895 -11.932 884 HE2 LYS 31 HE2 LYS 31 12.739 2.147 -12.651 885 HE3 LYS 31 HE3 LYS 31 13.221 0.559 -12.052 886 HZ1 LYS 31 HZ1 LYS 31 14.378 1.141 -14.089 887 HZ2 LYS 31 HZ2 LYS 31 12.911 1.304 -14.915 888 HZ3 LYS 31 HZ3 LYS 31 13.393 -0.208 -14.338 889 H VAL 32 H VAL 32 10.244 -3.650 -9.877 890 HA VAL 32 HA VAL 32 12.576 -4.581 -8.354 891 HB VAL 32 HB VAL 32 11.186 -4.373 -6.353 892 HG11 VAL 32 HG11 VAL 32 10.877 -1.947 -8.173 893 HG12 VAL 32 HG12 VAL 32 12.284 -2.333 -7.177 894 HG13 VAL 32 HG13 VAL 32 10.746 -1.935 -6.410 895 HG21 VAL 32 HG21 VAL 32 9.018 -5.148 -7.236 896 HG22 VAL 32 HG22 VAL 32 8.865 -3.683 -8.204 897 HG23 VAL 32 HG23 VAL 32 8.831 -3.581 -6.443 898 H ASN 33 H ASN 33 10.477 -6.118 -10.333 899 HA ASN 33 HA ASN 33 10.083 -8.291 -10.828 900 HB2 ASN 33 HB2 ASN 33 12.504 -8.542 -10.172 901 HB3 ASN 33 HB3 ASN 33 11.997 -8.948 -8.543 902 HD21 ASN 33 HD21 ASN 33 10.420 -10.113 -11.494 903 HD22 ASN 33 HD22 ASN 33 10.877 -11.756 -11.286 904 H LEU 34 H LEU 34 8.481 -6.853 -8.707 905 HA LEU 34 HA LEU 34 7.205 -9.183 -7.365 906 HB2 LEU 34 HB2 LEU 34 7.118 -6.242 -6.563 907 HB3 LEU 34 HB3 LEU 34 6.323 -7.558 -5.710 908 HG LEU 34 HG LEU 34 9.338 -7.200 -5.982 909 HD11 LEU 34 HD11 LEU 34 8.370 -5.517 -4.500 910 HD12 LEU 34 HD12 LEU 34 9.321 -6.680 -3.585 911 HD13 LEU 34 HD13 LEU 34 7.558 -6.772 -3.559 912 HD21 LEU 34 HD21 LEU 34 7.766 -9.291 -4.436 913 HD22 LEU 34 HD22 LEU 34 9.517 -9.066 -4.372 914 HD23 LEU 34 HD23 LEU 34 8.750 -9.569 -5.874 915 H SER 35 H SER 35 4.813 -8.899 -6.986 916 HA SER 35 HA SER 35 3.304 -8.128 -9.301 917 HB2 SER 35 HB2 SER 35 2.527 -9.941 -7.814 918 HB3 SER 35 HB3 SER 35 2.365 -8.803 -6.477 919 HG SER 35 HG SER 35 0.358 -9.153 -7.475 920 H VAL 36 H VAL 36 1.583 -6.495 -9.343 921 HA VAL 36 HA VAL 36 2.349 -3.889 -8.635 922 HB VAL 36 HB VAL 36 -0.504 -4.829 -9.150 923 HG11 VAL 36 HG11 VAL 36 -0.919 -2.538 -9.987 924 HG12 VAL 36 HG12 VAL 36 0.728 -2.074 -9.558 925 HG13 VAL 36 HG13 VAL 36 -0.418 -2.521 -8.294 926 HG21 VAL 36 HG21 VAL 36 0.955 -5.634 -10.947 927 HG22 VAL 36 HG22 VAL 36 1.598 -4.008 -11.186 928 HG23 VAL 36 HG23 VAL 36 -0.097 -4.348 -11.542 929 H GLU 37 H GLU 37 -0.069 -6.011 -7.087 930 HA GLU 37 HA GLU 37 -0.811 -4.316 -4.946 931 HB2 GLU 37 HB2 GLU 37 -0.888 -7.360 -5.074 932 HB3 GLU 37 HB3 GLU 37 -1.736 -6.373 -3.884 933 HG2 GLU 37 HG2 GLU 37 -3.051 -5.335 -5.715 934 HG3 GLU 37 HG3 GLU 37 -2.232 -6.376 -6.878 935 H SER 38 H SER 38 1.731 -6.818 -5.145 936 HA SER 38 HA SER 38 2.581 -6.740 -2.428 937 HB2 SER 38 HB2 SER 38 4.138 -7.576 -4.910 938 HB3 SER 38 HB3 SER 38 4.619 -7.919 -3.244 939 HG SER 38 HG SER 38 3.480 -9.649 -4.311 940 H THR 39 H THR 39 3.499 -4.855 -5.258 941 HA THR 39 HA THR 39 5.767 -3.536 -4.062 942 HB THR 39 HB THR 39 4.216 -2.842 -6.598 943 HG1 THR 39 HG1 THR 39 5.217 -4.591 -7.253 944 HG21 THR 39 HG21 THR 39 6.972 -1.897 -5.707 945 HG22 THR 39 HG22 THR 39 5.529 -0.887 -5.830 946 HG23 THR 39 HG23 THR 39 6.241 -1.589 -7.284 947 H ALA 40 H ALA 40 2.346 -2.637 -4.664 948 HA ALA 40 HA ALA 40 2.416 -0.011 -3.579 949 HB1 ALA 40 HB1 ALA 40 0.095 -1.976 -3.679 950 HB2 ALA 40 HB2 ALA 40 0.545 -0.838 -4.950 951 HB3 ALA 40 HB3 ALA 40 -0.041 -0.234 -3.400 952 H LEU 41 H LEU 41 1.853 -3.173 -2.096 953 HA LEU 41 HA LEU 41 1.430 -2.400 0.591 954 HB2 LEU 41 HB2 LEU 41 0.764 -4.567 -0.181 955 HB3 LEU 41 HB3 LEU 41 2.351 -4.941 -0.793 956 HG LEU 41 HG LEU 41 1.454 -6.203 1.293 957 HD11 LEU 41 HD11 LEU 41 3.706 -6.479 0.457 958 HD12 LEU 41 HD12 LEU 41 3.676 -6.511 2.218 959 HD13 LEU 41 HD13 LEU 41 4.252 -5.069 1.372 960 HD21 LEU 41 HD21 LEU 41 1.873 -5.240 3.474 961 HD22 LEU 41 HD22 LEU 41 0.728 -4.238 2.589 962 HD23 LEU 41 HD23 LEU 41 2.410 -3.720 2.750 963 H ALA 42 H ALA 42 4.410 -3.155 -1.219 964 HA ALA 42 HA ALA 42 6.277 -2.906 0.896 965 HB1 ALA 42 HB1 ALA 42 6.807 -3.986 -1.251 966 HB2 ALA 42 HB2 ALA 42 7.972 -2.717 -0.874 967 HB3 ALA 42 HB3 ALA 42 6.707 -2.427 -2.073 968 H VAL 43 H VAL 43 5.081 -0.466 -1.446 969 HA VAL 43 HA VAL 43 6.635 1.728 -0.597 970 HB VAL 43 HB VAL 43 3.863 1.760 -1.874 971 HG11 VAL 43 HG11 VAL 43 5.869 4.039 -1.641 972 HG12 VAL 43 HG12 VAL 43 4.314 3.933 -0.812 973 HG13 VAL 43 HG13 VAL 43 4.367 4.088 -2.567 974 HG21 VAL 43 HG21 VAL 43 5.045 2.171 -4.006 975 HG22 VAL 43 HG22 VAL 43 5.543 0.636 -3.295 976 HG23 VAL 43 HG23 VAL 43 6.601 2.041 -3.180 977 H GLY 44 H GLY 44 3.645 0.372 0.718 978 HA2 GLY 44 HA2 GLY 44 2.811 2.432 2.437 979 HA3 GLY 44 HA3 GLY 44 2.510 0.721 2.683 980 H TRP 45 H TRP 45 5.381 0.053 2.893 981 HA TRP 45 HA TRP 45 5.902 0.577 5.678 982 HB2 TRP 45 HB2 TRP 45 6.564 -1.535 4.582 983 HB3 TRP 45 HB3 TRP 45 7.658 -0.662 3.519 984 HD1 TRP 45 HD1 TRP 45 10.120 -0.355 4.389 985 HE1 TRP 45 HE1 TRP 45 11.342 -0.960 6.562 986 HE3 TRP 45 HE3 TRP 45 6.083 -1.578 7.300 987 HZ2 TRP 45 HZ2 TRP 45 10.703 -1.853 9.157 988 HZ3 TRP 45 HZ3 TRP 45 6.475 -2.300 9.622 989 HH2 TRP 45 HH2 TRP 45 8.742 -2.434 10.531 990 H LEU 46 H LEU 46 7.123 1.873 2.625 991 HA LEU 46 HA LEU 46 9.111 3.620 3.730 992 HB2 LEU 46 HB2 LEU 46 7.651 3.800 1.066 993 HB3 LEU 46 HB3 LEU 46 9.129 4.662 1.484 994 HG LEU 46 HG LEU 46 8.859 1.636 1.218 995 HD11 LEU 46 HD11 LEU 46 10.216 1.841 -0.800 996 HD12 LEU 46 HD12 LEU 46 10.231 3.600 -0.640 997 HD13 LEU 46 HD13 LEU 46 8.712 2.750 -0.954 998 HD21 LEU 46 HD21 LEU 46 11.337 3.309 1.768 999 HD22 LEU 46 HD22 LEU 46 11.310 1.568 1.463 1000 HD23 LEU 46 HD23 LEU 46 10.534 2.219 2.904 1001 H ALA 47 H ALA 47 5.711 4.034 2.776 1002 HA ALA 47 HA ALA 47 5.347 6.745 3.414 1003 HB1 ALA 47 HB1 ALA 47 3.291 4.509 3.456 1004 HB2 ALA 47 HB2 ALA 47 3.754 5.455 2.041 1005 HB3 ALA 47 HB3 ALA 47 2.937 6.238 3.395 1006 H ARG 48 H ARG 48 5.179 3.822 5.444 1007 HA ARG 48 HA ARG 48 4.261 4.786 7.879 1008 HB2 ARG 48 HB2 ARG 48 4.856 2.433 7.554 1009 HB3 ARG 48 HB3 ARG 48 6.544 2.854 7.301 1010 HG2 ARG 48 HG2 ARG 48 6.599 3.695 9.699 1011 HG3 ARG 48 HG3 ARG 48 4.991 3.011 9.892 1012 HD2 ARG 48 HD2 ARG 48 6.410 1.353 10.754 1013 HD3 ARG 48 HD3 ARG 48 6.041 0.777 9.130 1014 HE ARG 48 HE ARG 48 8.240 1.568 8.425 1015 HH11 ARG 48 HH11 ARG 48 7.784 1.256 11.860 1016 HH12 ARG 48 HH12 ARG 48 9.477 1.134 12.169 1017 HH21 ARG 48 HH21 ARG 48 10.381 1.377 8.875 1018 HH22 ARG 48 HH22 ARG 48 10.925 1.199 10.504 1019 H GLU 49 H GLU 49 7.583 4.829 6.650 1020 HA GLU 49 HA GLU 49 8.631 6.469 8.814 1021 HB2 GLU 49 HB2 GLU 49 9.919 5.432 6.262 1022 HB3 GLU 49 HB3 GLU 49 10.780 6.159 7.616 1023 HG2 GLU 49 HG2 GLU 49 10.359 4.287 9.019 1024 HG3 GLU 49 HG3 GLU 49 9.115 3.656 7.941 1025 H ASN 50 H ASN 50 7.008 7.104 5.952 1026 HA ASN 50 HA ASN 50 6.609 8.841 4.594 1027 HB2 ASN 50 HB2 ASN 50 7.827 10.430 6.893 1028 HB3 ASN 50 HB3 ASN 50 7.021 11.170 5.508 1029 HD21 ASN 50 HD21 ASN 50 6.521 9.130 8.346 1030 HD22 ASN 50 HD22 ASN 50 4.808 9.324 8.394 1031 H LYS 51 H LYS 51 9.067 7.360 4.336 1032 HA LYS 51 HA LYS 51 11.236 8.906 3.353 1033 HB2 LYS 51 HB2 LYS 51 10.395 6.040 2.760 1034 HB3 LYS 51 HB3 LYS 51 11.970 6.718 2.353 1035 HG2 LYS 51 HG2 LYS 51 10.957 6.690 5.196 1036 HG3 LYS 51 HG3 LYS 51 11.733 5.269 4.499 1037 HD2 LYS 51 HD2 LYS 51 13.086 7.990 4.460 1038 HD3 LYS 51 HD3 LYS 51 13.181 6.937 5.876 1039 HE2 LYS 51 HE2 LYS 51 14.051 6.126 3.074 1040 HE3 LYS 51 HE3 LYS 51 15.138 6.708 4.340 1041 HZ1 LYS 51 HZ1 LYS 51 15.002 4.242 4.140 1042 HZ2 LYS 51 HZ2 LYS 51 13.396 4.316 4.667 1043 HZ3 LYS 51 HZ3 LYS 51 14.647 4.830 5.683 1044 H VAL 52 H VAL 52 8.177 8.486 2.041 1045 HA VAL 52 HA VAL 52 9.036 9.115 -0.713 1046 HB VAL 52 HB VAL 52 7.061 7.758 -1.555 1047 HG11 VAL 52 HG11 VAL 52 9.212 6.187 -0.085 1048 HG12 VAL 52 HG12 VAL 52 9.343 6.861 -1.711 1049 HG13 VAL 52 HG13 VAL 52 8.192 5.563 -1.386 1050 HG21 VAL 52 HG21 VAL 52 7.011 6.630 1.279 1051 HG22 VAL 52 HG22 VAL 52 6.074 6.022 -0.089 1052 HG23 VAL 52 HG23 VAL 52 5.757 7.633 0.550 1053 H VAL 53 H VAL 53 7.677 10.466 -1.891 1054 HA VAL 53 HA VAL 53 5.789 12.152 -0.387 1055 HB VAL 53 HB VAL 53 6.922 12.478 -3.208 1056 HG11 VAL 53 HG11 VAL 53 4.759 13.629 -3.049 1057 HG12 VAL 53 HG12 VAL 53 6.064 14.815 -3.112 1058 HG13 VAL 53 HG13 VAL 53 5.276 14.453 -1.573 1059 HG21 VAL 53 HG21 VAL 53 8.685 12.687 -1.502 1060 HG22 VAL 53 HG22 VAL 53 7.731 13.895 -0.638 1061 HG23 VAL 53 HG23 VAL 53 8.361 14.257 -2.248 1062 H ILE 54 H ILE 54 3.584 12.056 -0.741 1063 HA ILE 54 HA ILE 54 2.549 10.048 -2.656 1064 HB ILE 54 HB ILE 54 1.534 10.906 0.085 1065 HG12 ILE 54 HG12 ILE 54 1.317 8.413 0.447 1066 HG13 ILE 54 HG13 ILE 54 1.980 8.154 -1.159 1067 HG21 ILE 54 HG21 ILE 54 -0.445 11.137 -1.325 1068 HG22 ILE 54 HG22 ILE 54 -0.616 9.704 -0.313 1069 HG23 ILE 54 HG23 ILE 54 -0.183 9.533 -2.015 1070 HD11 ILE 54 HD11 ILE 54 3.429 9.458 1.138 1071 HD12 ILE 54 HD12 ILE 54 4.095 9.094 -0.459 1072 HD13 ILE 54 HD13 ILE 54 3.604 7.783 0.613 1073 H GLU 55 H GLU 55 1.507 10.892 -4.351 1074 HA GLU 55 HA GLU 55 0.093 13.479 -4.134 1075 HB2 GLU 55 HB2 GLU 55 2.473 13.744 -5.056 1076 HB3 GLU 55 HB3 GLU 55 1.978 12.767 -6.434 1077 HG2 GLU 55 HG2 GLU 55 1.970 15.143 -6.944 1078 HG3 GLU 55 HG3 GLU 55 0.356 14.450 -7.085 1079 H ARG 56 H ARG 56 -1.563 13.765 -5.767 1080 HA ARG 56 HA ARG 56 -2.176 11.390 -7.438 1081 HB2 ARG 56 HB2 ARG 56 -4.101 13.344 -6.127 1082 HB3 ARG 56 HB3 ARG 56 -4.588 12.236 -7.411 1083 HG2 ARG 56 HG2 ARG 56 -3.945 10.305 -5.991 1084 HG3 ARG 56 HG3 ARG 56 -3.459 11.414 -4.704 1085 HD2 ARG 56 HD2 ARG 56 -5.770 12.231 -4.508 1086 HD3 ARG 56 HD3 ARG 56 -6.273 11.177 -5.833 1087 HE ARG 56 HE ARG 56 -5.503 9.293 -4.302 1088 HH11 ARG 56 HH11 ARG 56 -6.692 12.259 -2.973 1089 HH12 ARG 56 HH12 ARG 56 -7.396 11.485 -1.600 1090 HH21 ARG 56 HH21 ARG 56 -6.411 8.316 -2.519 1091 HH22 ARG 56 HH22 ARG 56 -7.242 9.282 -1.354 1092 H LYS 57 H LYS 57 -1.570 11.768 -9.455 1093 HA LYS 57 HA LYS 57 -1.882 14.426 -10.700 1094 HB2 LYS 57 HB2 LYS 57 -0.024 12.129 -11.082 1095 HB3 LYS 57 HB3 LYS 57 -0.642 12.755 -12.594 1096 HG2 LYS 57 HG2 LYS 57 1.448 13.805 -12.173 1097 HG3 LYS 57 HG3 LYS 57 0.191 15.020 -11.955 1098 HD2 LYS 57 HD2 LYS 57 0.412 14.837 -9.512 1099 HD3 LYS 57 HD3 LYS 57 1.601 13.541 -9.698 1100 HE2 LYS 57 HE2 LYS 57 3.093 15.156 -10.921 1101 HE3 LYS 57 HE3 LYS 57 1.926 16.438 -10.582 1102 HZ1 LYS 57 HZ1 LYS 57 2.297 16.104 -8.227 1103 HZ2 LYS 57 HZ2 LYS 57 3.759 16.425 -9.007 1104 HZ3 LYS 57 HZ3 LYS 57 3.381 14.845 -8.543 1105 H ASN 58 H ASN 58 -3.863 14.679 -11.576 1106 HA ASN 58 HA ASN 58 -5.883 14.356 -12.546 1107 HB2 ASN 58 HB2 ASN 58 -4.394 12.285 -14.225 1108 HB3 ASN 58 HB3 ASN 58 -5.939 13.023 -14.642 1109 HD21 ASN 58 HD21 ASN 58 -2.504 13.547 -14.385 1110 HD22 ASN 58 HD22 ASN 58 -2.459 15.029 -15.266 1111 H GLY 59 H GLY 59 -5.395 12.878 -10.139 1112 HA2 GLY 59 HA2 GLY 59 -6.816 11.515 -8.861 1113 HA3 GLY 59 HA3 GLY 59 -7.430 10.765 -10.324 1114 H LEU 60 H LEU 60 -4.450 10.433 -11.152 1115 HA LEU 60 HA LEU 60 -4.247 7.687 -10.278 1116 HB2 LEU 60 HB2 LEU 60 -2.300 9.350 -11.942 1117 HB3 LEU 60 HB3 LEU 60 -2.286 7.598 -11.781 1118 HG LEU 60 HG LEU 60 -4.487 9.234 -13.115 1119 HD11 LEU 60 HD11 LEU 60 -3.698 8.269 -15.223 1120 HD12 LEU 60 HD12 LEU 60 -2.382 7.447 -14.377 1121 HD13 LEU 60 HD13 LEU 60 -2.431 9.212 -14.439 1122 HD21 LEU 60 HD21 LEU 60 -5.420 7.222 -12.078 1123 HD22 LEU 60 HD22 LEU 60 -4.220 6.213 -12.889 1124 HD23 LEU 60 HD23 LEU 60 -5.436 7.078 -13.835 1125 H ILE 61 H ILE 61 -2.760 6.775 -8.855 1126 HA ILE 61 HA ILE 61 -1.713 8.555 -6.828 1127 HB ILE 61 HB ILE 61 -1.614 5.500 -6.941 1128 HG12 ILE 61 HG12 ILE 61 -3.298 5.718 -4.999 1129 HG13 ILE 61 HG13 ILE 61 -3.437 7.418 -5.414 1130 HG21 ILE 61 HG21 ILE 61 0.275 6.344 -5.604 1131 HG22 ILE 61 HG22 ILE 61 -0.922 5.587 -4.553 1132 HG23 ILE 61 HG23 ILE 61 -0.825 7.347 -4.652 1133 HD11 ILE 61 HD11 ILE 61 -4.363 6.814 -7.582 1134 HD12 ILE 61 HD12 ILE 61 -5.284 6.086 -6.265 1135 HD13 ILE 61 HD13 ILE 61 -4.161 5.102 -7.203 1136 H GLU 62 H GLU 62 0.202 9.414 -6.888 1137 HA GLU 62 HA GLU 62 2.464 8.318 -8.418 1138 HB2 GLU 62 HB2 GLU 62 1.698 11.147 -7.599 1139 HB3 GLU 62 HB3 GLU 62 3.313 10.759 -8.184 1140 HG2 GLU 62 HG2 GLU 62 0.771 10.262 -9.758 1141 HG3 GLU 62 HG3 GLU 62 1.754 11.717 -9.901 1142 H ILE 63 H ILE 63 4.423 8.029 -7.413 1143 HA ILE 63 HA ILE 63 4.759 8.805 -4.606 1144 HB ILE 63 HB ILE 63 5.996 6.477 -4.326 1145 HG12 ILE 63 HG12 ILE 63 4.645 4.613 -5.538 1146 HG13 ILE 63 HG13 ILE 63 4.107 5.853 -6.657 1147 HG21 ILE 63 HG21 ILE 63 3.904 5.476 -3.441 1148 HG22 ILE 63 HG22 ILE 63 2.965 6.719 -4.271 1149 HG23 ILE 63 HG23 ILE 63 4.083 7.171 -2.980 1150 HD11 ILE 63 HD11 ILE 63 6.406 6.187 -7.386 1151 HD12 ILE 63 HD12 ILE 63 5.910 4.504 -7.555 1152 HD13 ILE 63 HD13 ILE 63 6.958 4.981 -6.220 1153 H TYR 64 H TYR 64 6.524 9.884 -4.253 1154 HA TYR 64 HA TYR 64 8.810 9.785 -6.163 1155 HB2 TYR 64 HB2 TYR 64 7.968 12.165 -4.441 1156 HB3 TYR 64 HB3 TYR 64 9.214 12.154 -5.683 1157 HD1 TYR 64 HD1 TYR 64 8.575 12.061 -8.099 1158 HD2 TYR 64 HD2 TYR 64 5.605 12.376 -5.040 1159 HE1 TYR 64 HE1 TYR 64 6.892 12.672 -9.783 1160 HE2 TYR 64 HE2 TYR 64 3.938 12.982 -6.725 1161 HH TYR 64 HH TYR 64 4.323 12.475 -9.960 1162 H ASN 65 H ASN 65 10.921 10.580 -5.080 1163 HA ASN 65 HA ASN 65 11.252 9.282 -2.430 1164 HB2 ASN 65 HB2 ASN 65 12.645 8.612 -4.494 1165 HB3 ASN 65 HB3 ASN 65 13.435 10.178 -4.368 1166 HD21 ASN 65 HD21 ASN 65 14.402 7.367 -4.065 1167 HD22 ASN 65 HD22 ASN 65 15.228 7.340 -2.555 1168 H GLU 66 H GLU 66 12.377 10.424 -0.710 1169 HA GLU 66 HA GLU 66 12.008 13.254 -0.539 1170 HB2 GLU 66 HB2 GLU 66 13.624 11.364 1.206 1171 HB3 GLU 66 HB3 GLU 66 13.410 13.075 1.566 1172 HG2 GLU 66 HG2 GLU 66 10.933 12.687 1.636 1173 HG3 GLU 66 HG3 GLU 66 11.244 10.959 1.449 1174 H GLY 67 H GLY 67 14.704 11.246 -1.522 1175 HA2 GLY 67 HA2 GLY 67 16.753 13.243 -1.569 1176 HA3 GLY 67 HA3 GLY 67 16.777 11.691 -2.390 1177 H HIS 68 H HIS 68 14.032 12.810 -3.598 1178 HA HIS 68 HA HIS 68 15.046 13.689 -6.113 1179 HB2 HIS 68 HB2 HIS 68 12.863 12.493 -5.757 1180 HB3 HIS 68 HB3 HIS 68 12.222 13.944 -4.989 1181 HD1 HIS 68 HD1 HIS 68 13.166 12.514 -8.325 1182 HD2 HIS 68 HD2 HIS 68 11.397 15.941 -6.794 1183 HE1 HIS 68 HE1 HIS 68 12.216 13.716 -10.307 1184 HE2 HIS 68 HE2 HIS 68 11.082 15.742 -9.349 1185 H PHE 69 H PHE 69 13.594 15.427 -3.369 1186 HA PHE 69 HA PHE 69 14.456 18.040 -4.481 1187 HB2 PHE 69 HB2 PHE 69 12.952 19.078 -2.821 1188 HB3 PHE 69 HB3 PHE 69 12.075 17.939 -3.824 1189 HD1 PHE 69 HD1 PHE 69 11.171 15.845 -2.848 1190 HD2 PHE 69 HD2 PHE 69 13.247 18.679 -0.398 1191 HE1 PHE 69 HE1 PHE 69 10.276 14.769 -0.827 1192 HE2 PHE 69 HE2 PHE 69 12.351 17.586 1.617 1193 HZ PHE 69 HZ PHE 69 10.864 15.632 1.405 1194 H ASP 70 H ASP 70 15.626 19.543 -2.990 1195 HA ASP 70 HA ASP 70 17.373 18.065 -1.107 1196 HB2 ASP 70 HB2 ASP 70 18.986 19.892 -1.360 1197 HB3 ASP 70 HB3 ASP 70 18.537 19.241 -2.932 1198 H PHE 71 H PHE 71 15.404 21.031 -1.308 1199 HA PHE 71 HA PHE 71 14.427 22.406 0.173 1200 HB2 PHE 71 HB2 PHE 71 13.253 20.355 0.878 1201 HB3 PHE 71 HB3 PHE 71 14.538 19.983 2.021 1202 HD1 PHE 71 HD2 PHE 71 12.111 22.758 1.223 1203 HD2 PHE 71 HD1 PHE 71 14.210 20.613 4.280 1204 HE1 PHE 71 HE2 PHE 71 10.927 24.050 2.949 1205 HE2 PHE 71 HE1 PHE 71 13.022 21.914 5.997 1206 HZ PHE 71 HZ PHE 71 11.379 23.631 5.336 1207 H SER 72 H SER 72 15.814 24.067 0.593 1208 HA SER 72 HA SER 72 17.736 23.816 2.859 1209 HB2 SER 72 HB2 SER 72 18.860 24.110 0.650 1210 HB3 SER 72 HB3 SER 72 17.975 25.614 0.395 1211 HG SER 72 HG SER 72 19.918 26.206 1.228 1212 H PHE 73 H PHE 73 18.233 25.890 3.935 1213 HA PHE 73 HA PHE 73 15.907 27.343 4.793 1214 HB2 PHE 73 HB2 PHE 73 17.940 26.704 6.217 1215 HB3 PHE 73 HB3 PHE 73 18.848 27.944 5.368 1216 HD1 PHE 73 HD1 PHE 73 15.731 27.506 7.421 1217 HD2 PHE 73 HD2 PHE 73 18.939 30.113 6.320 1218 HE1 PHE 73 HE1 PHE 73 14.978 29.148 9.091 1219 HE2 PHE 73 HE2 PHE 73 18.177 31.750 7.988 1220 HZ PHE 73 HZ PHE 73 16.196 31.270 9.376 1221 H GLY 74 H GLY 74 16.148 29.920 4.896 1222 HA2 GLY 74 HA2 GLY 74 16.137 30.945 2.194 1223 HA3 GLY 74 HA3 GLY 74 15.806 31.843 3.663 1224 H LEU 75 H LEU 75 18.642 30.201 2.248 1225 HA LEU 75 HA LEU 75 20.286 32.654 2.464 1226 HB2 LEU 75 HB2 LEU 75 21.148 29.814 3.172 1227 HB3 LEU 75 HB3 LEU 75 22.231 31.192 3.083 1228 HG LEU 75 HG LEU 75 19.963 30.876 5.090 1229 HD11 LEU 75 HD11 LEU 75 22.954 30.605 5.514 1230 HD12 LEU 75 HD12 LEU 75 21.767 29.298 5.545 1231 HD13 LEU 75 HD13 LEU 75 21.715 30.558 6.773 1232 HD21 LEU 75 HD21 LEU 75 20.354 33.235 4.571 1233 HD22 LEU 75 HD22 LEU 75 22.081 33.049 4.893 1234 HD23 LEU 75 HD23 LEU 75 20.910 32.863 6.202 1235 H GLU 76 H GLU 76 22.566 31.857 1.221 1236 HA GLU 76 HA GLU 76 21.781 31.057 -1.499 1237 HB2 GLU 76 HB2 GLU 76 24.380 32.137 -0.341 1238 HB3 GLU 76 HB3 GLU 76 24.159 31.733 -2.041 1239 HG2 GLU 76 HG2 GLU 76 22.597 33.849 -0.516 1240 HG3 GLU 76 HG3 GLU 76 23.952 34.156 -1.601 1241 H HIS 77 H HIS 77 23.407 29.745 1.292 1242 HA HIS 77 HA HIS 77 24.919 27.687 -0.004 1243 HB2 HIS 77 HB2 HIS 77 25.436 28.579 2.276 1244 HB3 HIS 77 HB3 HIS 77 23.971 27.823 2.896 1245 HD1 HIS 77 HD1 HIS 77 27.462 27.060 1.784 1246 HD2 HIS 77 HD2 HIS 77 24.156 25.012 3.248 1247 HE1 HIS 77 HE1 HIS 77 28.300 24.772 2.371 1248 HE2 HIS 77 HE2 HIS 77 26.328 23.621 3.419 1249 H HIS 78 H HIS 78 24.173 25.891 -0.943 1250 HA HIS 78 HA HIS 78 23.048 24.023 -1.488 1251 HB2 HIS 78 HB2 HIS 78 23.358 23.496 0.950 1252 HB3 HIS 78 HB3 HIS 78 21.787 24.213 1.285 1253 HD1 HIS 78 HD1 HIS 78 23.257 21.314 -0.712 1254 HD2 HIS 78 HD2 HIS 78 19.727 22.386 1.200 1255 HE1 HIS 78 HE1 HIS 78 21.783 19.292 -0.848 1256 HE2 HIS 78 HE2 HIS 78 19.678 19.940 0.368 1257 H HIS 79 H HIS 79 21.734 26.863 -1.672 1258 HA HIS 79 HA HIS 79 18.876 26.417 -1.559 1259 HB2 HIS 79 HB2 HIS 79 19.978 28.599 -1.014 1260 HB3 HIS 79 HB3 HIS 79 20.438 28.767 -2.701 1261 HD1 HIS 79 HD1 HIS 79 18.733 29.788 -4.261 1262 HD2 HIS 79 HD2 HIS 79 17.130 28.808 -0.554 1263 HE1 HIS 79 HE1 HIS 79 16.434 30.779 -4.244 1264 HE2 HIS 79 HE2 HIS 79 15.565 30.341 -1.928 1265 H HIS 80 H HIS 80 18.422 24.739 -3.049 1266 HA HIS 80 HA HIS 80 18.601 25.408 -5.933 1267 HB2 HIS 80 HB2 HIS 80 19.402 22.737 -4.708 1268 HB3 HIS 80 HB3 HIS 80 19.321 23.075 -6.435 1269 HD1 HIS 80 HD1 HIS 80 20.902 25.414 -6.988 1270 HD2 HIS 80 HD2 HIS 80 21.973 22.922 -3.846 1271 HE1 HIS 80 HE1 HIS 80 23.307 25.933 -6.520 1272 HE2 HIS 80 HE2 HIS 80 23.862 24.563 -4.489 1273 H HIS 81 H HIS 81 17.489 23.275 -7.115 1274 HA HIS 81 HA HIS 81 14.699 23.210 -6.131 1275 HB2 HIS 81 HB2 HIS 81 15.840 22.589 -8.895 1276 HB3 HIS 81 HB3 HIS 81 14.127 22.585 -8.478 1277 HD1 HIS 81 HD1 HIS 81 17.035 24.927 -8.965 1278 HD2 HIS 81 HD2 HIS 81 12.913 25.095 -8.485 1279 HE1 HIS 81 HE1 HIS 81 16.406 27.309 -9.432 1280 HE2 HIS 81 HE2 HIS 81 13.898 27.335 -9.329 1281 H HIS 82 H HIS 82 17.368 21.073 -7.137 1282 HA HIS 82 HA HIS 82 15.703 18.649 -6.729 1283 HB2 HIS 82 HB2 HIS 82 18.392 18.935 -8.137 1284 HB3 HIS 82 HB3 HIS 82 17.450 17.454 -8.025 1285 HD1 HIS 82 HD1 HIS 82 15.407 17.226 -9.598 1286 HD2 HIS 82 HD2 HIS 82 17.442 20.816 -10.022 1287 HE1 HIS 82 HE1 HIS 82 14.556 18.226 -11.732 1288 HE2 HIS 82 HE2 HIS 82 15.678 20.471 -11.877 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.229 19.401 0.622 2 H2 MET 1 H2 MET 1 0.046 20.604 0.674 3 H3 MET 1 H3 MET 1 0.724 20.148 -0.806 4 HA MET 1 HA MET 1 -1.488 19.245 -0.535 5 HB2 MET 1 HB2 MET 1 0.186 18.005 -1.887 6 HB3 MET 1 HB3 MET 1 0.728 17.146 -0.453 7 HG2 MET 1 HG2 MET 1 -1.456 16.040 -0.271 8 HG3 MET 1 HG3 MET 1 -2.037 16.936 -1.678 9 HE1 MET 1 HE1 MET 1 -1.642 13.206 -2.970 10 HE2 MET 1 HE2 MET 1 -2.774 14.540 -2.754 11 HE3 MET 1 HE3 MET 1 -2.122 13.700 -1.346 12 H ASP 2 H ASP 2 -3.017 18.170 0.717 13 HA ASP 2 HA ASP 2 -2.737 18.183 3.539 14 HB2 ASP 2 HB2 ASP 2 -4.886 16.725 1.934 15 HB3 ASP 2 HB3 ASP 2 -5.015 17.322 3.589 16 H LYS 3 H LYS 3 -1.243 16.821 4.432 17 HA LYS 3 HA LYS 3 -0.586 14.230 3.427 18 HB2 LYS 3 HB2 LYS 3 1.016 15.762 4.550 19 HB3 LYS 3 HB3 LYS 3 0.152 15.550 6.067 20 HG2 LYS 3 HG2 LYS 3 0.811 13.224 6.194 21 HG3 LYS 3 HG3 LYS 3 1.503 13.283 4.568 22 HD2 LYS 3 HD2 LYS 3 3.225 14.860 5.330 23 HD3 LYS 3 HD3 LYS 3 2.506 14.897 6.944 24 HE2 LYS 3 HE2 LYS 3 3.620 12.382 5.660 25 HE3 LYS 3 HE3 LYS 3 4.549 13.441 6.720 26 HZ1 LYS 3 HZ1 LYS 3 3.603 11.553 7.901 27 HZ2 LYS 3 HZ2 LYS 3 2.040 12.053 7.487 28 HZ3 LYS 3 HZ3 LYS 3 2.999 13.015 8.493 29 H LYS 4 H LYS 4 -3.005 15.305 5.665 30 HA LYS 4 HA LYS 4 -3.357 12.842 7.093 31 HB2 LYS 4 HB2 LYS 4 -5.212 15.225 6.826 32 HB3 LYS 4 HB3 LYS 4 -5.524 13.834 7.864 33 HG2 LYS 4 HG2 LYS 4 -3.227 14.411 8.957 34 HG3 LYS 4 HG3 LYS 4 -3.415 15.982 8.164 35 HD2 LYS 4 HD2 LYS 4 -5.320 14.703 10.173 36 HD3 LYS 4 HD3 LYS 4 -4.269 16.091 10.459 37 HE2 LYS 4 HE2 LYS 4 -5.566 17.441 8.879 38 HE3 LYS 4 HE3 LYS 4 -6.558 16.045 8.456 39 HZ1 LYS 4 HZ1 LYS 4 -7.367 15.978 10.722 40 HZ2 LYS 4 HZ2 LYS 4 -7.686 17.475 10.008 41 HZ3 LYS 4 HZ3 LYS 4 -6.426 17.323 11.124 42 H ILE 5 H ILE 5 -4.269 13.712 3.890 43 HA ILE 5 HA ILE 5 -6.722 12.489 3.451 44 HB ILE 5 HB ILE 5 -4.269 12.537 1.638 45 HG12 ILE 5 HG12 ILE 5 -6.872 14.132 1.527 46 HG13 ILE 5 HG13 ILE 5 -5.352 14.733 2.179 47 HG21 ILE 5 HG21 ILE 5 -5.751 11.912 -0.272 48 HG22 ILE 5 HG22 ILE 5 -7.059 11.594 0.869 49 HG23 ILE 5 HG23 ILE 5 -5.597 10.609 0.909 50 HD11 ILE 5 HD11 ILE 5 -5.866 13.960 -0.693 51 HD12 ILE 5 HD12 ILE 5 -4.334 14.552 -0.045 52 HD13 ILE 5 HD13 ILE 5 -5.754 15.596 -0.046 53 H VAL 6 H VAL 6 -3.520 10.858 3.345 54 HA VAL 6 HA VAL 6 -4.445 8.226 2.926 55 HB VAL 6 HB VAL 6 -2.185 7.475 3.705 56 HG11 VAL 6 HG11 VAL 6 -0.875 8.658 1.972 57 HG12 VAL 6 HG12 VAL 6 -2.139 9.883 1.843 58 HG13 VAL 6 HG13 VAL 6 -2.480 8.206 1.392 59 HG21 VAL 6 HG21 VAL 6 -1.845 9.082 5.567 60 HG22 VAL 6 HG22 VAL 6 -1.724 10.414 4.414 61 HG23 VAL 6 HG23 VAL 6 -0.493 9.147 4.433 62 H GLY 7 H GLY 7 -4.184 10.102 5.886 63 HA2 GLY 7 HA2 GLY 7 -4.562 7.960 7.768 64 HA3 GLY 7 HA3 GLY 7 -4.740 9.678 8.083 65 H ALA 8 H ALA 8 -6.751 10.324 6.251 66 HA ALA 8 HA ALA 8 -9.116 9.659 7.687 67 HB1 ALA 8 HB1 ALA 8 -10.282 11.008 5.974 68 HB2 ALA 8 HB2 ALA 8 -8.824 11.010 4.973 69 HB3 ALA 8 HB3 ALA 8 -8.821 11.821 6.541 70 H ASN 9 H ASN 9 -7.892 8.687 4.480 71 HA ASN 9 HA ASN 9 -10.042 6.899 3.863 72 HB2 ASN 9 HB2 ASN 9 -7.269 7.177 2.636 73 HB3 ASN 9 HB3 ASN 9 -8.513 6.095 2.013 74 HD21 ASN 9 HD21 ASN 9 -7.370 9.309 2.054 75 HD22 ASN 9 HD22 ASN 9 -8.629 10.018 1.120 76 H ALA 10 H ALA 10 -6.983 6.518 5.615 77 HA ALA 10 HA ALA 10 -6.960 3.637 5.632 78 HB1 ALA 10 HB1 ALA 10 -5.255 3.859 7.396 79 HB2 ALA 10 HB2 ALA 10 -5.591 5.588 7.520 80 HB3 ALA 10 HB3 ALA 10 -4.906 4.924 6.036 81 H GLY 11 H GLY 11 -8.413 6.139 7.633 82 HA2 GLY 11 HA2 GLY 11 -9.348 4.542 9.786 83 HA3 GLY 11 HA3 GLY 11 -10.039 6.066 9.246 84 H LYS 12 H LYS 12 -10.719 5.279 6.590 85 HA LYS 12 HA LYS 12 -13.223 3.942 7.052 86 HB2 LYS 12 HB2 LYS 12 -12.826 5.845 5.414 87 HB3 LYS 12 HB3 LYS 12 -12.007 4.697 4.362 88 HG2 LYS 12 HG2 LYS 12 -14.036 3.440 4.032 89 HG3 LYS 12 HG3 LYS 12 -14.867 4.344 5.298 90 HD2 LYS 12 HD2 LYS 12 -14.671 6.413 3.899 91 HD3 LYS 12 HD3 LYS 12 -13.939 5.442 2.615 92 HE2 LYS 12 HE2 LYS 12 -16.358 5.845 2.231 93 HE3 LYS 12 HE3 LYS 12 -15.997 4.127 2.405 94 HZ1 LYS 12 HZ1 LYS 12 -16.767 4.242 4.698 95 HZ2 LYS 12 HZ2 LYS 12 -17.975 4.732 3.626 96 HZ3 LYS 12 HZ3 LYS 12 -17.122 5.887 4.520 97 H VAL 13 H VAL 13 -10.172 3.056 5.446 98 HA VAL 13 HA VAL 13 -10.870 0.474 4.505 99 HB VAL 13 HB VAL 13 -8.169 1.711 5.211 100 HG11 VAL 13 HG11 VAL 13 -7.906 -0.723 5.468 101 HG12 VAL 13 HG12 VAL 13 -7.070 -0.177 4.015 102 HG13 VAL 13 HG13 VAL 13 -8.630 -0.991 3.881 103 HG21 VAL 13 HG21 VAL 13 -9.463 1.109 2.516 104 HG22 VAL 13 HG22 VAL 13 -7.875 1.845 2.751 105 HG23 VAL 13 HG23 VAL 13 -9.329 2.703 3.262 106 H TRP 14 H TRP 14 -9.314 1.502 7.566 107 HA TRP 14 HA TRP 14 -9.177 -1.101 8.719 108 HB2 TRP 14 HB2 TRP 14 -7.842 0.958 9.522 109 HB3 TRP 14 HB3 TRP 14 -9.298 1.464 10.371 110 HD1 TRP 14 HD1 TRP 14 -6.472 -1.148 10.533 111 HE1 TRP 14 HE1 TRP 14 -6.591 -2.372 12.800 112 HE3 TRP 14 HE3 TRP 14 -10.912 0.698 12.238 113 HZ2 TRP 14 HZ2 TRP 14 -8.339 -2.535 15.006 114 HZ3 TRP 14 HZ3 TRP 14 -11.750 -0.038 14.431 115 HH2 TRP 14 HH2 TRP 14 -10.486 -1.629 15.792 116 H HIS 15 H HIS 15 -11.695 1.421 8.724 117 HA HIS 15 HA HIS 15 -13.430 0.214 10.617 118 HB2 HIS 15 HB2 HIS 15 -13.772 2.551 9.851 119 HB3 HIS 15 HB3 HIS 15 -14.217 1.968 8.248 120 HD1 HIS 15 HD1 HIS 15 -15.437 1.808 11.843 121 HD2 HIS 15 HD2 HIS 15 -16.901 1.278 7.990 122 HE1 HIS 15 HE1 HIS 15 -17.894 1.397 12.107 123 HE2 HIS 15 HE2 HIS 15 -18.691 0.829 9.795 124 H ALA 16 H ALA 16 -12.948 -0.383 7.150 125 HA ALA 16 HA ALA 16 -15.135 -2.178 6.753 126 HB1 ALA 16 HB1 ALA 16 -12.492 -2.034 5.275 127 HB2 ALA 16 HB2 ALA 16 -13.955 -1.134 4.879 128 HB3 ALA 16 HB3 ALA 16 -13.936 -2.890 4.724 129 H LEU 17 H LEU 17 -11.880 -2.628 8.026 130 HA LEU 17 HA LEU 17 -11.945 -5.489 8.293 131 HB2 LEU 17 HB2 LEU 17 -10.325 -3.357 9.744 132 HB3 LEU 17 HB3 LEU 17 -10.037 -5.083 9.896 133 HG LEU 17 HG LEU 17 -9.765 -3.510 7.300 134 HD11 LEU 17 HD11 LEU 17 -8.046 -2.834 8.911 135 HD12 LEU 17 HD12 LEU 17 -7.340 -3.746 7.577 136 HD13 LEU 17 HD13 LEU 17 -7.576 -4.522 9.147 137 HD21 LEU 17 HD21 LEU 17 -10.360 -5.866 6.913 138 HD22 LEU 17 HD22 LEU 17 -9.016 -6.393 7.930 139 HD23 LEU 17 HD23 LEU 17 -8.701 -5.548 6.411 140 H ASN 18 H ASN 18 -12.554 -2.793 10.561 141 HA ASN 18 HA ASN 18 -13.450 -4.173 12.819 142 HB2 ASN 18 HB2 ASN 18 -12.878 -1.766 12.791 143 HB3 ASN 18 HB3 ASN 18 -14.249 -1.430 11.746 144 HD21 ASN 18 HD21 ASN 18 -14.217 -3.513 14.636 145 HD22 ASN 18 HD22 ASN 18 -15.309 -2.534 15.540 146 H GLU 19 H GLU 19 -15.087 -3.432 9.823 147 HA GLU 19 HA GLU 19 -17.780 -4.005 10.726 148 HB2 GLU 19 HB2 GLU 19 -17.000 -2.340 8.854 149 HB3 GLU 19 HB3 GLU 19 -16.884 -3.760 7.825 150 HG2 GLU 19 HG2 GLU 19 -18.996 -2.736 7.401 151 HG3 GLU 19 HG3 GLU 19 -19.312 -4.219 8.302 152 H ALA 20 H ALA 20 -15.467 -5.477 8.445 153 HA ALA 20 HA ALA 20 -16.390 -8.201 9.033 154 HB1 ALA 20 HB1 ALA 20 -17.762 -7.501 7.092 155 HB2 ALA 20 HB2 ALA 20 -16.627 -8.772 6.637 156 HB3 ALA 20 HB3 ALA 20 -16.299 -7.095 6.191 157 H ASP 21 H ASP 21 -14.435 -8.779 9.914 158 HA ASP 21 HA ASP 21 -11.903 -7.854 8.960 159 HB2 ASP 21 HB2 ASP 21 -10.962 -9.167 10.799 160 HB3 ASP 21 HB3 ASP 21 -12.358 -8.255 11.350 161 H GLY 22 H GLY 22 -10.111 -9.104 8.193 162 HA2 GLY 22 HA2 GLY 22 -8.990 -10.768 7.057 163 HA3 GLY 22 HA3 GLY 22 -10.280 -11.883 7.488 164 H ILE 23 H ILE 23 -9.589 -9.144 5.280 165 HA ILE 23 HA ILE 23 -11.290 -10.390 3.205 166 HB ILE 23 HB ILE 23 -12.661 -8.787 4.479 167 HG12 ILE 23 HG12 ILE 23 -12.095 -7.629 1.715 168 HG13 ILE 23 HG13 ILE 23 -13.027 -9.097 1.985 169 HG21 ILE 23 HG21 ILE 23 -10.678 -6.638 3.644 170 HG22 ILE 23 HG22 ILE 23 -10.915 -7.258 5.279 171 HG23 ILE 23 HG23 ILE 23 -12.209 -6.361 4.483 172 HD11 ILE 23 HD11 ILE 23 -14.685 -7.801 3.249 173 HD12 ILE 23 HD12 ILE 23 -14.473 -7.202 1.606 174 HD13 ILE 23 HD13 ILE 23 -13.749 -6.331 2.955 175 H SER 24 H SER 24 -10.715 -9.982 1.064 176 HA SER 24 HA SER 24 -7.961 -9.477 0.513 177 HB2 SER 24 HB2 SER 24 -10.302 -9.699 -1.427 178 HB3 SER 24 HB3 SER 24 -8.595 -9.768 -1.873 179 HG SER 24 HG SER 24 -8.402 -11.703 -0.984 180 H ILE 25 H ILE 25 -6.960 -7.781 -0.657 181 HA ILE 25 HA ILE 25 -7.614 -5.181 0.071 182 HB ILE 25 HB ILE 25 -5.820 -6.006 -2.253 183 HG12 ILE 25 HG12 ILE 25 -5.112 -5.462 0.674 184 HG13 ILE 25 HG13 ILE 25 -5.121 -7.038 -0.107 185 HG21 ILE 25 HG21 ILE 25 -4.709 -3.801 -1.977 186 HG22 ILE 25 HG22 ILE 25 -5.905 -3.352 -0.760 187 HG23 ILE 25 HG23 ILE 25 -6.406 -3.624 -2.430 188 HD11 ILE 25 HD11 ILE 25 -3.280 -6.309 -1.569 189 HD12 ILE 25 HD12 ILE 25 -2.863 -6.219 0.142 190 HD13 ILE 25 HD13 ILE 25 -3.259 -4.746 -0.744 191 HA PRO 26 HA PRO 26 -9.461 -4.235 -4.397 192 HB2 PRO 26 HB2 PRO 26 -10.441 -6.347 -5.867 193 HB3 PRO 26 HB3 PRO 26 -8.787 -5.740 -6.032 194 HG2 PRO 26 HG2 PRO 26 -9.786 -8.076 -4.390 195 HG3 PRO 26 HG3 PRO 26 -8.405 -8.013 -5.509 196 HD2 PRO 26 HD2 PRO 26 -8.018 -7.785 -2.859 197 HD3 PRO 26 HD3 PRO 26 -7.062 -6.806 -3.995 198 H GLU 27 H GLU 27 -10.771 -6.806 -2.340 199 HA GLU 27 HA GLU 27 -13.506 -6.476 -3.109 200 HB2 GLU 27 HB2 GLU 27 -12.701 -8.626 -2.273 201 HB3 GLU 27 HB3 GLU 27 -12.288 -7.910 -0.721 202 HG2 GLU 27 HG2 GLU 27 -14.378 -9.232 -0.632 203 HG3 GLU 27 HG3 GLU 27 -14.631 -7.544 -0.198 204 H LEU 28 H LEU 28 -11.810 -5.605 -0.000 205 HA LEU 28 HA LEU 28 -14.070 -4.175 0.991 206 HB2 LEU 28 HB2 LEU 28 -12.878 -3.476 2.849 207 HB3 LEU 28 HB3 LEU 28 -12.220 -5.052 2.467 208 HG LEU 28 HG LEU 28 -10.800 -2.495 1.631 209 HD11 LEU 28 HD11 LEU 28 -9.434 -2.658 3.646 210 HD12 LEU 28 HD12 LEU 28 -10.423 -4.000 4.232 211 HD13 LEU 28 HD13 LEU 28 -11.131 -2.393 4.045 212 HD21 LEU 28 HD21 LEU 28 -10.064 -4.545 0.506 213 HD22 LEU 28 HD22 LEU 28 -9.780 -5.320 2.067 214 HD23 LEU 28 HD23 LEU 28 -8.809 -3.927 1.580 215 H ALA 29 H ALA 29 -11.347 -3.191 -1.001 216 HA ALA 29 HA ALA 29 -11.533 -0.443 -1.089 217 HB1 ALA 29 HB1 ALA 29 -10.702 -0.582 -3.404 218 HB2 ALA 29 HB2 ALA 29 -11.154 -2.289 -3.472 219 HB3 ALA 29 HB3 ALA 29 -9.884 -1.757 -2.370 220 H ARG 30 H ARG 30 -13.629 -2.778 -2.817 221 HA ARG 30 HA ARG 30 -15.282 -0.922 -4.189 222 HB2 ARG 30 HB2 ARG 30 -16.070 -3.699 -3.207 223 HB3 ARG 30 HB3 ARG 30 -16.875 -2.771 -4.475 224 HG2 ARG 30 HG2 ARG 30 -14.649 -2.876 -5.750 225 HG3 ARG 30 HG3 ARG 30 -14.138 -4.073 -4.555 226 HD2 ARG 30 HD2 ARG 30 -16.496 -4.281 -6.458 227 HD3 ARG 30 HD3 ARG 30 -14.984 -5.181 -6.558 228 HE ARG 30 HE ARG 30 -15.924 -5.949 -4.143 229 HH11 ARG 30 HH11 ARG 30 -17.505 -5.802 -7.230 230 HH12 ARG 30 HH12 ARG 30 -18.520 -7.152 -6.878 231 HH21 ARG 30 HH21 ARG 30 -17.248 -7.682 -3.750 232 HH22 ARG 30 HH22 ARG 30 -18.384 -8.192 -4.954 233 H LYS 31 H LYS 31 -15.531 -2.355 -0.964 234 HA LYS 31 HA LYS 31 -18.150 -1.429 -0.286 235 HB2 LYS 31 HB2 LYS 31 -15.879 -2.209 1.594 236 HB3 LYS 31 HB3 LYS 31 -17.595 -2.151 2.000 237 HG2 LYS 31 HG2 LYS 31 -18.043 -4.015 0.471 238 HG3 LYS 31 HG3 LYS 31 -16.351 -4.035 -0.031 239 HD2 LYS 31 HD2 LYS 31 -16.538 -5.814 1.526 240 HD3 LYS 31 HD3 LYS 31 -15.766 -4.511 2.425 241 HE2 LYS 31 HE2 LYS 31 -18.722 -5.204 2.567 242 HE3 LYS 31 HE3 LYS 31 -17.512 -5.726 3.731 243 HZ1 LYS 31 HZ1 LYS 31 -18.675 -3.865 4.595 244 HZ2 LYS 31 HZ2 LYS 31 -18.407 -2.950 3.203 245 HZ3 LYS 31 HZ3 LYS 31 -17.110 -3.344 4.213 246 H VAL 32 H VAL 32 -14.891 -0.121 0.190 247 HA VAL 32 HA VAL 32 -15.878 2.181 1.734 248 HB VAL 32 HB VAL 32 -13.543 2.692 2.241 249 HG11 VAL 32 HG11 VAL 32 -12.963 0.674 3.556 250 HG12 VAL 32 HG12 VAL 32 -14.150 -0.267 2.644 251 HG13 VAL 32 HG13 VAL 32 -14.681 1.063 3.681 252 HG21 VAL 32 HG21 VAL 32 -12.466 2.049 0.121 253 HG22 VAL 32 HG22 VAL 32 -12.771 0.346 0.455 254 HG23 VAL 32 HG23 VAL 32 -11.661 1.260 1.480 255 H ASN 33 H ASN 33 -15.657 1.502 -1.449 256 HA ASN 33 HA ASN 33 -15.891 2.705 -3.338 257 HB2 ASN 33 HB2 ASN 33 -17.441 4.032 -1.820 258 HB3 ASN 33 HB3 ASN 33 -16.129 5.168 -1.551 259 HD21 ASN 33 HD21 ASN 33 -18.327 3.864 -3.960 260 HD22 ASN 33 HD22 ASN 33 -18.224 5.199 -5.046 261 H LEU 34 H LEU 34 -13.158 2.382 -2.035 262 HA LEU 34 HA LEU 34 -11.646 4.561 -3.365 263 HB2 LEU 34 HB2 LEU 34 -10.707 2.548 -1.276 264 HB3 LEU 34 HB3 LEU 34 -9.719 3.817 -1.984 265 HG LEU 34 HG LEU 34 -12.158 4.266 -0.209 266 HD11 LEU 34 HD11 LEU 34 -10.552 5.075 1.473 267 HD12 LEU 34 HD12 LEU 34 -9.208 4.628 0.416 268 HD13 LEU 34 HD13 LEU 34 -10.276 3.381 1.067 269 HD21 LEU 34 HD21 LEU 34 -11.497 6.657 -0.230 270 HD22 LEU 34 HD22 LEU 34 -11.947 6.080 -1.831 271 HD23 LEU 34 HD23 LEU 34 -10.243 6.295 -1.422 272 H SER 35 H SER 35 -9.710 3.993 -4.527 273 HA SER 35 HA SER 35 -9.847 1.748 -6.278 274 HB2 SER 35 HB2 SER 35 -7.490 3.591 -5.666 275 HB3 SER 35 HB3 SER 35 -7.605 2.500 -7.052 276 HG SER 35 HG SER 35 -9.458 4.592 -6.521 277 H VAL 36 H VAL 36 -8.318 -0.040 -6.438 278 HA VAL 36 HA VAL 36 -7.637 -1.469 -4.129 279 HB VAL 36 HB VAL 36 -6.284 -1.646 -6.861 280 HG11 VAL 36 HG11 VAL 36 -6.375 -3.718 -4.629 281 HG12 VAL 36 HG12 VAL 36 -4.950 -2.823 -5.170 282 HG13 VAL 36 HG13 VAL 36 -5.719 -3.989 -6.248 283 HG21 VAL 36 HG21 VAL 36 -7.902 -3.445 -7.373 284 HG22 VAL 36 HG22 VAL 36 -8.722 -1.914 -7.057 285 HG23 VAL 36 HG23 VAL 36 -8.698 -3.174 -5.820 286 H GLU 37 H GLU 37 -5.627 0.707 -6.115 287 HA GLU 37 HA GLU 37 -3.198 0.592 -4.678 288 HB2 GLU 37 HB2 GLU 37 -4.348 2.960 -6.220 289 HB3 GLU 37 HB3 GLU 37 -2.654 2.753 -5.764 290 HG2 GLU 37 HG2 GLU 37 -2.556 0.716 -7.189 291 HG3 GLU 37 HG3 GLU 37 -4.224 1.005 -7.680 292 H SER 38 H SER 38 -5.916 2.911 -4.379 293 HA SER 38 HA SER 38 -4.932 4.551 -2.326 294 HB2 SER 38 HB2 SER 38 -6.902 5.175 -3.671 295 HB3 SER 38 HB3 SER 38 -7.830 3.851 -2.969 296 HG SER 38 HG SER 38 -8.052 4.954 -1.141 297 H THR 39 H THR 39 -6.754 1.534 -2.150 298 HA THR 39 HA THR 39 -7.161 1.485 0.676 299 HB THR 39 HB THR 39 -7.287 -0.770 -1.373 300 HG1 THR 39 HG1 THR 39 -8.990 0.433 -1.837 301 HG21 THR 39 HG21 THR 39 -8.277 -0.751 1.510 302 HG22 THR 39 HG22 THR 39 -6.980 -1.759 0.865 303 HG23 THR 39 HG23 THR 39 -8.641 -2.003 0.319 304 H ALA 40 H ALA 40 -4.823 -0.272 -1.446 305 HA ALA 40 HA ALA 40 -3.498 -1.720 0.605 306 HB1 ALA 40 HB1 ALA 40 -2.481 -0.973 -2.158 307 HB2 ALA 40 HB2 ALA 40 -3.434 -2.401 -1.751 308 HB3 ALA 40 HB3 ALA 40 -1.799 -2.229 -1.114 309 H LEU 41 H LEU 41 -2.870 1.458 -0.766 310 HA LEU 41 HA LEU 41 -0.377 1.976 0.550 311 HB2 LEU 41 HB2 LEU 41 -0.863 3.098 -1.509 312 HB3 LEU 41 HB3 LEU 41 -2.414 3.661 -0.947 313 HG LEU 41 HG LEU 41 -0.513 5.388 -1.282 314 HD11 LEU 41 HD11 LEU 41 -2.637 5.928 -0.216 315 HD12 LEU 41 HD12 LEU 41 -1.295 6.817 0.494 316 HD13 LEU 41 HD13 LEU 41 -1.989 5.439 1.354 317 HD21 LEU 41 HD21 LEU 41 1.014 5.789 0.579 318 HD22 LEU 41 HD22 LEU 41 1.291 4.190 -0.108 319 HD23 LEU 41 HD23 LEU 41 0.417 4.355 1.418 320 H ALA 42 H ALA 42 -3.790 2.754 1.239 321 HA ALA 42 HA ALA 42 -3.404 4.155 3.684 322 HB1 ALA 42 HB1 ALA 42 -5.830 2.572 2.745 323 HB2 ALA 42 HB2 ALA 42 -5.499 4.271 2.399 324 HB3 ALA 42 HB3 ALA 42 -5.811 3.757 4.055 325 H VAL 43 H VAL 43 -3.682 0.711 2.940 326 HA VAL 43 HA VAL 43 -3.725 -0.374 5.557 327 HB VAL 43 HB VAL 43 -2.759 -1.507 2.892 328 HG11 VAL 43 HG11 VAL 43 -2.723 -3.763 3.926 329 HG12 VAL 43 HG12 VAL 43 -3.002 -3.036 5.510 330 HG13 VAL 43 HG13 VAL 43 -1.507 -2.698 4.636 331 HG21 VAL 43 HG21 VAL 43 -5.192 -1.111 3.067 332 HG22 VAL 43 HG22 VAL 43 -5.257 -2.108 4.520 333 HG23 VAL 43 HG23 VAL 43 -4.834 -2.837 2.969 334 H GLY 44 H GLY 44 -1.049 0.455 3.333 335 HA2 GLY 44 HA2 GLY 44 1.125 -0.311 4.990 336 HA3 GLY 44 HA3 GLY 44 1.185 0.849 3.668 337 H TRP 45 H TRP 45 -0.850 2.623 4.857 338 HA TRP 45 HA TRP 45 0.713 4.217 6.636 339 HB2 TRP 45 HB2 TRP 45 -0.962 5.222 5.125 340 HB3 TRP 45 HB3 TRP 45 -2.261 4.385 5.972 341 HD1 TRP 45 HD1 TRP 45 -3.326 5.685 7.985 342 HE1 TRP 45 HE1 TRP 45 -2.801 7.868 9.223 343 HE3 TRP 45 HE3 TRP 45 1.274 6.681 5.970 344 HZ2 TRP 45 HZ2 TRP 45 -0.728 9.767 9.343 345 HZ3 TRP 45 HZ3 TRP 45 2.474 8.710 6.709 346 HH2 TRP 45 HH2 TRP 45 1.487 10.221 8.369 347 H LEU 46 H LEU 46 -2.138 2.073 7.149 348 HA LEU 46 HA LEU 46 -2.399 2.365 9.955 349 HB2 LEU 46 HB2 LEU 46 -3.058 0.020 8.141 350 HB3 LEU 46 HB3 LEU 46 -3.526 0.084 9.836 351 HG LEU 46 HG LEU 46 -4.427 2.123 7.759 352 HD11 LEU 46 HD11 LEU 46 -5.332 -0.074 7.177 353 HD12 LEU 46 HD12 LEU 46 -6.604 1.002 7.754 354 HD13 LEU 46 HD13 LEU 46 -5.977 -0.265 8.814 355 HD21 LEU 46 HD21 LEU 46 -5.409 1.622 10.597 356 HD22 LEU 46 HD22 LEU 46 -6.068 2.806 9.463 357 HD23 LEU 46 HD23 LEU 46 -4.423 2.988 10.064 358 H ALA 47 H ALA 47 -0.271 0.350 8.028 359 HA ALA 47 HA ALA 47 0.808 -1.403 9.888 360 HB1 ALA 47 HB1 ALA 47 2.256 -0.143 7.545 361 HB2 ALA 47 HB2 ALA 47 1.199 -1.553 7.461 362 HB3 ALA 47 HB3 ALA 47 2.708 -1.638 8.373 363 H ARG 48 H ARG 48 1.482 2.078 9.602 364 HA ARG 48 HA ARG 48 3.935 2.293 10.972 365 HB2 ARG 48 HB2 ARG 48 3.397 4.615 11.383 366 HB3 ARG 48 HB3 ARG 48 2.680 4.201 9.830 367 HG2 ARG 48 HG2 ARG 48 0.477 3.902 10.980 368 HG3 ARG 48 HG3 ARG 48 1.226 4.422 12.481 369 HD2 ARG 48 HD2 ARG 48 1.652 6.639 11.530 370 HD3 ARG 48 HD3 ARG 48 0.952 6.127 9.986 371 HE ARG 48 HE ARG 48 -1.058 5.574 11.641 372 HH11 ARG 48 HH11 ARG 48 0.809 8.485 11.458 373 HH12 ARG 48 HH12 ARG 48 -0.477 9.451 12.081 374 HH21 ARG 48 HH21 ARG 48 -2.632 6.798 12.445 375 HH22 ARG 48 HH22 ARG 48 -2.412 8.502 12.637 376 H GLU 49 H GLU 49 0.663 1.855 12.245 377 HA GLU 49 HA GLU 49 1.588 1.772 15.064 378 HB2 GLU 49 HB2 GLU 49 -1.213 2.019 13.887 379 HB3 GLU 49 HB3 GLU 49 -0.848 2.011 15.610 380 HG2 GLU 49 HG2 GLU 49 0.206 4.139 15.506 381 HG3 GLU 49 HG3 GLU 49 0.309 4.094 13.752 382 H ASN 50 H ASN 50 1.418 -0.302 12.659 383 HA ASN 50 HA ASN 50 1.261 -2.528 12.328 384 HB2 ASN 50 HB2 ASN 50 1.188 -2.668 15.376 385 HB3 ASN 50 HB3 ASN 50 1.465 -4.044 14.309 386 HD21 ASN 50 HD21 ASN 50 2.838 -1.080 15.561 387 HD22 ASN 50 HD22 ASN 50 4.462 -1.394 15.070 388 H LYS 51 H LYS 51 -1.245 -0.904 12.501 389 HA LYS 51 HA LYS 51 -3.289 -2.373 13.835 390 HB2 LYS 51 HB2 LYS 51 -3.474 -0.165 11.755 391 HB3 LYS 51 HB3 LYS 51 -4.866 -0.833 12.607 392 HG2 LYS 51 HG2 LYS 51 -3.847 -0.110 14.770 393 HG3 LYS 51 HG3 LYS 51 -2.523 0.632 13.869 394 HD2 LYS 51 HD2 LYS 51 -4.170 2.333 14.524 395 HD3 LYS 51 HD3 LYS 51 -4.139 2.166 12.767 396 HE2 LYS 51 HE2 LYS 51 -6.453 2.371 13.647 397 HE3 LYS 51 HE3 LYS 51 -6.199 0.830 12.837 398 HZ1 LYS 51 HZ1 LYS 51 -5.928 -0.227 14.991 399 HZ2 LYS 51 HZ2 LYS 51 -7.419 0.557 14.894 400 HZ3 LYS 51 HZ3 LYS 51 -6.154 1.251 15.771 401 H VAL 52 H VAL 52 -1.780 -2.994 10.865 402 HA VAL 52 HA VAL 52 -3.912 -4.900 10.082 403 HB VAL 52 HB VAL 52 -3.078 -4.639 7.690 404 HG11 VAL 52 HG11 VAL 52 -4.318 -2.549 7.228 405 HG12 VAL 52 HG12 VAL 52 -4.277 -2.136 8.945 406 HG13 VAL 52 HG13 VAL 52 -5.173 -3.556 8.401 407 HG21 VAL 52 HG21 VAL 52 -1.626 -2.205 8.826 408 HG22 VAL 52 HG22 VAL 52 -1.778 -2.593 7.111 409 HG23 VAL 52 HG23 VAL 52 -0.862 -3.658 8.176 410 H VAL 53 H VAL 53 -3.274 -6.934 9.443 411 HA VAL 53 HA VAL 53 -0.406 -7.585 9.175 412 HB VAL 53 HB VAL 53 -0.942 -9.900 10.169 413 HG11 VAL 53 HG11 VAL 53 -1.088 -7.505 12.055 414 HG12 VAL 53 HG12 VAL 53 0.389 -8.237 11.419 415 HG13 VAL 53 HG13 VAL 53 -0.644 -9.153 12.518 416 HG21 VAL 53 HG21 VAL 53 -3.402 -8.461 11.248 417 HG22 VAL 53 HG22 VAL 53 -2.858 -10.069 11.735 418 HG23 VAL 53 HG23 VAL 53 -3.407 -9.787 10.084 419 H ILE 54 H ILE 54 -0.029 -8.219 7.184 420 HA ILE 54 HA ILE 54 -2.215 -8.894 5.341 421 HB ILE 54 HB ILE 54 0.684 -8.084 4.776 422 HG12 ILE 54 HG12 ILE 54 -0.446 -5.990 3.753 423 HG13 ILE 54 HG13 ILE 54 -1.924 -6.503 4.554 424 HG21 ILE 54 HG21 ILE 54 -0.095 -9.570 2.990 425 HG22 ILE 54 HG22 ILE 54 0.042 -7.920 2.384 426 HG23 ILE 54 HG23 ILE 54 -1.546 -8.587 2.766 427 HD11 ILE 54 HD11 ILE 54 -0.839 -6.233 6.719 428 HD12 ILE 54 HD12 ILE 54 -0.778 -4.750 5.771 429 HD13 ILE 54 HD13 ILE 54 0.662 -5.757 5.919 430 H GLU 55 H GLU 55 -2.431 -10.911 4.396 431 HA GLU 55 HA GLU 55 -0.116 -12.740 4.236 432 HB2 GLU 55 HB2 GLU 55 -2.875 -13.520 5.260 433 HB3 GLU 55 HB3 GLU 55 -1.657 -14.690 4.759 434 HG2 GLU 55 HG2 GLU 55 -0.159 -13.904 6.547 435 HG3 GLU 55 HG3 GLU 55 -1.359 -12.707 7.040 436 H ARG 56 H ARG 56 -0.103 -14.053 2.412 437 HA ARG 56 HA ARG 56 -2.239 -13.597 0.401 438 HB2 ARG 56 HB2 ARG 56 -0.426 -13.972 -1.332 439 HB3 ARG 56 HB3 ARG 56 -0.268 -12.497 -0.382 440 HG2 ARG 56 HG2 ARG 56 1.444 -13.613 1.029 441 HG3 ARG 56 HG3 ARG 56 1.329 -15.047 -0.001 442 HD2 ARG 56 HD2 ARG 56 3.254 -13.709 -0.661 443 HD3 ARG 56 HD3 ARG 56 2.041 -13.670 -1.947 444 HE ARG 56 HE ARG 56 1.663 -11.469 -0.235 445 HH11 ARG 56 HH11 ARG 56 3.869 -12.536 -2.669 446 HH12 ARG 56 HH12 ARG 56 4.360 -10.927 -3.061 447 HH21 ARG 56 HH21 ARG 56 2.307 -9.439 -0.762 448 HH22 ARG 56 HH22 ARG 56 3.476 -9.207 -2.009 449 H LYS 57 H LYS 57 -3.455 -15.304 0.205 450 HA LYS 57 HA LYS 57 -2.377 -18.061 0.497 451 HB2 LYS 57 HB2 LYS 57 -5.197 -16.945 0.777 452 HB3 LYS 57 HB3 LYS 57 -4.880 -18.668 0.656 453 HG2 LYS 57 HG2 LYS 57 -5.157 -18.268 2.949 454 HG3 LYS 57 HG3 LYS 57 -3.412 -18.404 2.736 455 HD2 LYS 57 HD2 LYS 57 -3.170 -15.966 2.852 456 HD3 LYS 57 HD3 LYS 57 -4.925 -15.761 2.911 457 HE2 LYS 57 HE2 LYS 57 -3.969 -15.503 5.145 458 HE3 LYS 57 HE3 LYS 57 -4.971 -16.952 5.093 459 HZ1 LYS 57 HZ1 LYS 57 -2.024 -16.955 4.801 460 HZ2 LYS 57 HZ2 LYS 57 -3.026 -18.304 4.968 461 HZ3 LYS 57 HZ3 LYS 57 -2.828 -17.229 6.258 462 H ASN 58 H ASN 58 -2.249 -19.325 -1.283 463 HA ASN 58 HA ASN 58 -2.316 -20.121 -3.406 464 HB2 ASN 58 HB2 ASN 58 -5.115 -18.920 -3.372 465 HB3 ASN 58 HB3 ASN 58 -4.543 -20.093 -4.557 466 HD21 ASN 58 HD21 ASN 58 -6.702 -20.206 -2.495 467 HD22 ASN 58 HD22 ASN 58 -6.380 -21.646 -1.605 468 H GLY 59 H GLY 59 -1.148 -17.512 -3.094 469 HA2 GLY 59 HA2 GLY 59 -0.103 -15.984 -4.505 470 HA3 GLY 59 HA3 GLY 59 -1.073 -16.567 -5.842 471 H LEU 60 H LEU 60 -3.370 -15.939 -3.666 472 HA LEU 60 HA LEU 60 -3.944 -13.227 -4.659 473 HB2 LEU 60 HB2 LEU 60 -5.671 -15.269 -3.179 474 HB3 LEU 60 HB3 LEU 60 -6.238 -13.691 -3.720 475 HG LEU 60 HG LEU 60 -5.276 -15.932 -5.556 476 HD11 LEU 60 HD11 LEU 60 -8.111 -14.976 -5.032 477 HD12 LEU 60 HD12 LEU 60 -7.410 -16.507 -4.501 478 HD13 LEU 60 HD13 LEU 60 -7.625 -16.191 -6.220 479 HD21 LEU 60 HD21 LEU 60 -4.829 -13.719 -6.524 480 HD22 LEU 60 HD22 LEU 60 -6.509 -13.241 -6.270 481 HD23 LEU 60 HD23 LEU 60 -6.119 -14.531 -7.411 482 H ILE 61 H ILE 61 -4.089 -11.455 -3.237 483 HA ILE 61 HA ILE 61 -2.870 -11.932 -0.587 484 HB ILE 61 HB ILE 61 -2.840 -9.307 -2.146 485 HG12 ILE 61 HG12 ILE 61 -0.725 -11.522 -2.039 486 HG13 ILE 61 HG13 ILE 61 -1.676 -11.085 -3.452 487 HG21 ILE 61 HG21 ILE 61 -1.015 -8.691 -0.593 488 HG22 ILE 61 HG22 ILE 61 -1.149 -10.259 0.212 489 HG23 ILE 61 HG23 ILE 61 -2.478 -9.097 0.312 490 HD11 ILE 61 HD11 ILE 61 -0.548 -8.927 -3.536 491 HD12 ILE 61 HD12 ILE 61 0.596 -10.265 -3.593 492 HD13 ILE 61 HD13 ILE 61 0.389 -9.351 -2.100 493 H GLU 62 H GLU 62 -3.911 -11.492 1.183 494 HA GLU 62 HA GLU 62 -6.418 -9.930 1.277 495 HB2 GLU 62 HB2 GLU 62 -5.647 -12.443 2.839 496 HB3 GLU 62 HB3 GLU 62 -7.035 -11.445 3.236 497 HG2 GLU 62 HG2 GLU 62 -7.831 -13.357 2.064 498 HG3 GLU 62 HG3 GLU 62 -8.005 -11.961 1.002 499 H ILE 63 H ILE 63 -6.727 -8.655 3.179 500 HA ILE 63 HA ILE 63 -4.407 -8.366 5.007 501 HB ILE 63 HB ILE 63 -5.190 -6.085 5.538 502 HG12 ILE 63 HG12 ILE 63 -7.249 -6.433 3.299 503 HG13 ILE 63 HG13 ILE 63 -7.638 -6.440 5.015 504 HG21 ILE 63 HG21 ILE 63 -3.495 -6.391 3.784 505 HG22 ILE 63 HG22 ILE 63 -4.513 -5.000 3.419 506 HG23 ILE 63 HG23 ILE 63 -4.758 -6.522 2.558 507 HD11 ILE 63 HD11 ILE 63 -6.822 -4.133 5.190 508 HD12 ILE 63 HD12 ILE 63 -8.149 -4.314 4.047 509 HD13 ILE 63 HD13 ILE 63 -6.503 -4.137 3.452 510 H TYR 64 H TYR 64 -4.730 -8.379 7.189 511 HA TYR 64 HA TYR 64 -7.386 -9.166 8.261 512 HB2 TYR 64 HB2 TYR 64 -4.659 -10.320 9.046 513 HB3 TYR 64 HB3 TYR 64 -6.187 -10.730 9.814 514 HD1 TYR 64 HD1 TYR 64 -4.186 -11.092 6.696 515 HD2 TYR 64 HD2 TYR 64 -7.723 -12.317 8.766 516 HE1 TYR 64 HE1 TYR 64 -4.552 -12.861 5.032 517 HE2 TYR 64 HE2 TYR 64 -8.080 -14.087 7.100 518 HH TYR 64 HH TYR 64 -7.467 -14.521 4.729 519 H ASN 65 H ASN 65 -7.455 -8.880 10.703 520 HA ASN 65 HA ASN 65 -6.669 -6.144 11.352 521 HB2 ASN 65 HB2 ASN 65 -8.333 -8.134 12.963 522 HB3 ASN 65 HB3 ASN 65 -8.145 -6.419 13.326 523 HD21 ASN 65 HD21 ASN 65 -10.341 -6.040 13.190 524 HD22 ASN 65 HD22 ASN 65 -11.201 -6.069 11.697 525 H GLU 66 H GLU 66 -5.366 -5.495 13.057 526 HA GLU 66 HA GLU 66 -3.561 -7.269 14.391 527 HB2 GLU 66 HB2 GLU 66 -2.722 -5.375 15.509 528 HB3 GLU 66 HB3 GLU 66 -3.335 -4.683 14.016 529 HG2 GLU 66 HG2 GLU 66 -4.865 -4.637 16.645 530 HG3 GLU 66 HG3 GLU 66 -3.758 -3.365 16.142 531 H GLY 67 H GLY 67 -6.850 -6.384 14.896 532 HA2 GLY 67 HA2 GLY 67 -7.275 -6.583 17.634 533 HA3 GLY 67 HA3 GLY 67 -8.472 -6.909 16.400 534 H HIS 68 H HIS 68 -6.524 -9.201 15.499 535 HA HIS 68 HA HIS 68 -7.612 -11.277 17.274 536 HB2 HIS 68 HB2 HIS 68 -5.974 -11.490 14.712 537 HB3 HIS 68 HB3 HIS 68 -6.658 -12.864 15.585 538 HD1 HIS 68 HD1 HIS 68 -9.354 -12.856 15.759 539 HD2 HIS 68 HD2 HIS 68 -7.698 -10.327 12.912 540 HE1 HIS 68 HE1 HIS 68 -11.231 -12.280 14.207 541 HE2 HIS 68 HE2 HIS 68 -10.162 -10.922 12.396 542 H PHE 69 H PHE 69 -5.048 -9.309 17.542 543 HA PHE 69 HA PHE 69 -3.319 -11.238 18.977 544 HB2 PHE 69 HB2 PHE 69 -2.282 -9.018 17.139 545 HB3 PHE 69 HB3 PHE 69 -1.297 -10.151 18.057 546 HD1 PHE 69 HD2 PHE 69 -1.309 -12.610 17.416 547 HD2 PHE 69 HD1 PHE 69 -3.125 -9.611 14.953 548 HE1 PHE 69 HE2 PHE 69 -1.311 -14.166 15.509 549 HE2 PHE 69 HE1 PHE 69 -3.125 -11.183 13.054 550 HZ PHE 69 HZ PHE 69 -2.223 -13.457 13.333 551 H ASP 70 H ASP 70 -3.187 -7.712 18.271 552 HA ASP 70 HA ASP 70 -3.576 -7.049 21.141 553 HB2 ASP 70 HB2 ASP 70 -1.716 -5.604 19.180 554 HB3 ASP 70 HB3 ASP 70 -1.955 -5.205 20.880 555 H PHE 71 H PHE 71 -5.797 -6.460 20.883 556 HA PHE 71 HA PHE 71 -6.727 -4.956 18.619 557 HB2 PHE 71 HB2 PHE 71 -8.243 -6.523 19.755 558 HB3 PHE 71 HB3 PHE 71 -8.168 -5.572 21.238 559 HD1 PHE 71 HD2 PHE 71 -9.218 -5.382 17.636 560 HD2 PHE 71 HD1 PHE 71 -9.721 -3.769 21.569 561 HE1 PHE 71 HE2 PHE 71 -11.085 -4.000 16.834 562 HE2 PHE 71 HE1 PHE 71 -11.584 -2.385 20.752 563 HZ PHE 71 HZ PHE 71 -12.270 -2.501 18.388 564 H SER 72 H SER 72 -6.910 -2.835 18.323 565 HA SER 72 HA SER 72 -7.264 -0.943 20.511 566 HB2 SER 72 HB2 SER 72 -4.788 -0.996 20.253 567 HB3 SER 72 HB3 SER 72 -4.953 -0.637 18.534 568 HG SER 72 HG SER 72 -5.013 1.041 20.670 569 H PHE 73 H PHE 73 -8.952 0.316 19.875 570 HA PHE 73 HA PHE 73 -9.859 0.362 17.130 571 HB2 PHE 73 HB2 PHE 73 -11.417 0.241 19.103 572 HB3 PHE 73 HB3 PHE 73 -10.966 1.888 19.533 573 HD1 PHE 73 HD2 PHE 73 -12.185 -0.002 16.508 574 HD2 PHE 73 HD1 PHE 73 -12.488 3.570 18.848 575 HE1 PHE 73 HE2 PHE 73 -13.966 0.823 15.027 576 HE2 PHE 73 HE1 PHE 73 -14.277 4.379 17.357 577 HZ PHE 73 HZ PHE 73 -15.017 3.006 15.451 578 H GLY 74 H GLY 74 -9.761 3.323 19.144 579 HA2 GLY 74 HA2 GLY 74 -8.421 5.219 19.022 580 HA3 GLY 74 HA3 GLY 74 -7.560 4.532 17.661 581 H LEU 75 H LEU 75 -10.392 4.149 16.386 582 HA LEU 75 HA LEU 75 -10.222 6.483 14.732 583 HB2 LEU 75 HB2 LEU 75 -12.016 4.039 14.753 584 HB3 LEU 75 HB3 LEU 75 -12.392 5.391 13.703 585 HG LEU 75 HG LEU 75 -10.251 5.110 12.507 586 HD11 LEU 75 HD11 LEU 75 -8.830 4.214 14.282 587 HD12 LEU 75 HD12 LEU 75 -8.797 3.175 12.859 588 HD13 LEU 75 HD13 LEU 75 -9.744 2.703 14.274 589 HD21 LEU 75 HD21 LEU 75 -11.856 2.541 12.684 590 HD22 LEU 75 HD22 LEU 75 -10.789 3.006 11.356 591 HD23 LEU 75 HD23 LEU 75 -12.243 3.945 11.685 592 H GLU 76 H GLU 76 -11.152 8.415 15.182 593 HA GLU 76 HA GLU 76 -13.644 8.664 16.688 594 HB2 GLU 76 HB2 GLU 76 -11.942 10.725 15.227 595 HB3 GLU 76 HB3 GLU 76 -13.440 11.115 16.073 596 HG2 GLU 76 HG2 GLU 76 -12.404 10.251 18.191 597 HG3 GLU 76 HG3 GLU 76 -10.886 10.036 17.311 598 H HIS 77 H HIS 77 -15.622 9.427 15.798 599 HA HIS 77 HA HIS 77 -16.168 8.532 13.073 600 HB2 HIS 77 HB2 HIS 77 -18.067 9.697 15.163 601 HB3 HIS 77 HB3 HIS 77 -18.546 8.908 13.664 602 HD1 HIS 77 HD1 HIS 77 -18.302 6.313 13.555 603 HD2 HIS 77 HD2 HIS 77 -17.365 7.963 17.257 604 HE1 HIS 77 HE1 HIS 77 -18.180 4.380 15.141 605 HE2 HIS 77 HE2 HIS 77 -17.654 5.392 17.374 606 H HIS 78 H HIS 78 -14.720 10.215 12.166 607 HA HIS 78 HA HIS 78 -15.272 13.007 12.448 608 HB2 HIS 78 HB2 HIS 78 -13.507 13.362 10.789 609 HB3 HIS 78 HB3 HIS 78 -12.994 12.149 11.949 610 HD1 HIS 78 HD1 HIS 78 -13.008 12.789 8.446 611 HD2 HIS 78 HD2 HIS 78 -13.450 9.364 10.769 612 HE1 HIS 78 HE1 HIS 78 -12.486 10.869 6.917 613 HE2 HIS 78 HE2 HIS 78 -12.849 8.817 8.311 614 H HIS 79 H HIS 79 -16.523 14.332 11.299 615 HA HIS 79 HA HIS 79 -17.837 13.539 8.783 616 HB2 HIS 79 HB2 HIS 79 -19.310 14.267 11.359 617 HB3 HIS 79 HB3 HIS 79 -20.079 14.274 9.777 618 HD1 HIS 79 HD1 HIS 79 -19.443 12.110 12.598 619 HD2 HIS 79 HD2 HIS 79 -20.029 11.574 8.521 620 HE1 HIS 79 HE1 HIS 79 -20.090 9.704 12.326 621 HE2 HIS 79 HE2 HIS 79 -20.577 9.440 9.877 622 H HIS 80 H HIS 80 -19.597 15.578 8.427 623 HA HIS 80 HA HIS 80 -18.036 17.834 7.719 624 HB2 HIS 80 HB2 HIS 80 -20.172 17.150 6.590 625 HB3 HIS 80 HB3 HIS 80 -21.072 17.660 8.017 626 HD1 HIS 80 HD1 HIS 80 -18.746 19.157 5.400 627 HD2 HIS 80 HD2 HIS 80 -21.861 20.297 7.907 628 HE1 HIS 80 HE1 HIS 80 -19.252 21.536 4.799 629 HE2 HIS 80 HE2 HIS 80 -21.271 22.119 6.170 630 H HIS 81 H HIS 81 -20.174 17.237 10.483 631 HA HIS 81 HA HIS 81 -18.905 19.479 11.958 632 HB2 HIS 81 HB2 HIS 81 -21.237 20.082 11.514 633 HB3 HIS 81 HB3 HIS 81 -21.800 18.529 12.114 634 HD1 HIS 81 HD1 HIS 81 -22.649 18.606 14.436 635 HD2 HIS 81 HD2 HIS 81 -19.866 21.613 13.746 636 HE1 HIS 81 HE1 HIS 81 -22.566 19.940 16.554 637 HE2 HIS 81 HE2 HIS 81 -21.023 21.854 16.045 638 H HIS 82 H HIS 82 -17.379 18.301 13.006 639 HA HIS 82 HA HIS 82 -16.342 16.942 14.472 640 HB2 HIS 82 HB2 HIS 82 -17.889 18.106 16.049 641 HB3 HIS 82 HB3 HIS 82 -19.062 16.813 15.841 642 HD1 HIS 82 HD1 HIS 82 -15.475 17.244 17.046 643 HD2 HIS 82 HD2 HIS 82 -18.785 14.823 17.710 644 HE1 HIS 82 HE1 HIS 82 -14.820 15.718 18.920 645 HE2 HIS 82 HE2 HIS 82 -16.768 14.155 19.185 646 H1 MET 1 H MET 1 3.211 -12.907 10.673 647 HA MET 1 HA MET 1 6.051 -12.783 10.463 648 HB2 MET 1 HB2 MET 1 4.777 -14.811 9.849 649 HB3 MET 1 HB3 MET 1 3.998 -13.951 8.529 650 HG2 MET 1 HG2 MET 1 5.780 -15.433 7.722 651 HG3 MET 1 HG3 MET 1 6.156 -13.744 7.373 652 HE1 MET 1 HE1 MET 1 8.757 -14.248 6.957 653 HE2 MET 1 HE2 MET 1 8.379 -15.961 7.167 654 HE3 MET 1 HE3 MET 1 9.722 -15.238 8.052 655 H ASP 2 H ASP 2 3.414 -11.210 8.750 656 HA ASP 2 HA ASP 2 4.662 -10.406 6.379 657 HB2 ASP 2 HB2 ASP 2 2.776 -8.928 6.068 658 HB3 ASP 2 HB3 ASP 2 2.200 -10.396 6.843 659 H LYS 3 H LYS 3 4.581 -8.850 9.525 660 HA LYS 3 HA LYS 3 5.298 -6.229 8.738 661 HB2 LYS 3 HB2 LYS 3 4.250 -7.249 10.992 662 HB3 LYS 3 HB3 LYS 3 5.928 -7.243 11.514 663 HG2 LYS 3 HG2 LYS 3 4.888 -5.221 12.287 664 HG3 LYS 3 HG3 LYS 3 6.029 -4.798 11.012 665 HD2 LYS 3 HD2 LYS 3 4.083 -3.471 10.617 666 HD3 LYS 3 HD3 LYS 3 4.050 -4.735 9.393 667 HE2 LYS 3 HE2 LYS 3 2.448 -4.851 11.976 668 HE3 LYS 3 HE3 LYS 3 1.818 -4.197 10.468 669 HZ1 LYS 3 HZ1 LYS 3 2.650 -6.996 10.986 670 HZ2 LYS 3 HZ2 LYS 3 2.228 -6.403 9.465 671 HZ3 LYS 3 HZ3 LYS 3 1.086 -6.423 10.705 672 H LYS 4 H LYS 4 7.184 -9.066 9.192 673 HA LYS 4 HA LYS 4 9.790 -7.744 9.293 674 HB2 LYS 4 HB2 LYS 4 8.957 -10.678 9.170 675 HB3 LYS 4 HB3 LYS 4 10.635 -10.165 9.096 676 HG2 LYS 4 HG2 LYS 4 10.103 -10.901 11.344 677 HG3 LYS 4 HG3 LYS 4 10.449 -9.172 11.350 678 HD2 LYS 4 HD2 LYS 4 8.051 -8.660 11.518 679 HD3 LYS 4 HD3 LYS 4 7.641 -10.371 11.375 680 HE2 LYS 4 HE2 LYS 4 9.280 -9.198 13.653 681 HE3 LYS 4 HE3 LYS 4 7.537 -9.474 13.723 682 HZ1 LYS 4 HZ1 LYS 4 7.903 -11.811 13.378 683 HZ2 LYS 4 HZ2 LYS 4 8.802 -11.287 14.712 684 HZ3 LYS 4 HZ3 LYS 4 9.571 -11.574 13.239 685 H ILE 5 H ILE 5 7.855 -9.715 7.039 686 HA ILE 5 HA ILE 5 9.573 -9.886 4.843 687 HB ILE 5 HB ILE 5 6.525 -9.637 4.740 688 HG12 ILE 5 HG12 ILE 5 8.246 -12.156 4.934 689 HG13 ILE 5 HG13 ILE 5 7.286 -11.480 6.246 690 HG21 ILE 5 HG21 ILE 5 6.665 -10.859 2.576 691 HG22 ILE 5 HG22 ILE 5 8.426 -10.817 2.666 692 HG23 ILE 5 HG23 ILE 5 7.517 -9.314 2.504 693 HD11 ILE 5 HD11 ILE 5 5.242 -11.926 4.955 694 HD12 ILE 5 HD12 ILE 5 6.181 -13.386 5.256 695 HD13 ILE 5 HD13 ILE 5 6.222 -12.629 3.664 696 H VAL 6 H VAL 6 7.164 -7.373 5.571 697 HA VAL 6 HA VAL 6 7.370 -5.867 3.198 698 HB VAL 6 HB VAL 6 6.102 -4.102 4.400 699 HG11 VAL 6 HG11 VAL 6 4.868 -6.043 3.516 700 HG12 VAL 6 HG12 VAL 6 4.110 -5.438 4.987 701 HG13 VAL 6 HG13 VAL 6 5.093 -6.904 5.043 702 HG21 VAL 6 HG21 VAL 6 5.500 -4.358 6.796 703 HG22 VAL 6 HG22 VAL 6 7.246 -4.199 6.599 704 HG23 VAL 6 HG23 VAL 6 6.537 -5.785 6.912 705 H GLY 7 H GLY 7 9.220 -5.735 6.208 706 HA2 GLY 7 HA2 GLY 7 10.534 -3.239 5.829 707 HA3 GLY 7 HA3 GLY 7 11.092 -4.563 6.842 708 H ALA 8 H ALA 8 11.477 -6.579 5.011 709 HA ALA 8 HA ALA 8 13.987 -5.918 3.780 710 HB1 ALA 8 HB1 ALA 8 13.999 -8.278 3.065 711 HB2 ALA 8 HB2 ALA 8 12.300 -8.437 3.529 712 HB3 ALA 8 HB3 ALA 8 13.529 -8.134 4.761 713 H ASN 9 H ASN 9 10.714 -6.419 2.593 714 HA ASN 9 HA ASN 9 11.191 -6.559 -0.199 715 HB2 ASN 9 HB2 ASN 9 9.144 -7.416 0.929 716 HB3 ASN 9 HB3 ASN 9 8.671 -5.778 1.342 717 HD21 ASN 9 HD21 ASN 9 7.508 -8.030 -0.385 718 HD22 ASN 9 HD22 ASN 9 7.059 -7.222 -1.843 719 H ALA 10 H ALA 10 10.249 -3.856 1.942 720 HA ALA 10 HA ALA 10 9.872 -1.927 -0.137 721 HB1 ALA 10 HB1 ALA 10 8.701 -1.781 2.022 722 HB2 ALA 10 HB2 ALA 10 9.617 -0.311 1.689 723 HB3 ALA 10 HB3 ALA 10 10.234 -1.494 2.846 724 H GLY 11 H GLY 11 12.684 -3.014 1.637 725 HA2 GLY 11 HA2 GLY 11 14.448 -0.828 1.245 726 HA3 GLY 11 HA3 GLY 11 14.921 -2.505 1.471 727 H LYS 12 H LYS 12 13.814 -3.715 -0.744 728 HA LYS 12 HA LYS 12 15.623 -3.115 -2.871 729 HB2 LYS 12 HB2 LYS 12 14.821 -5.403 -2.460 730 HB3 LYS 12 HB3 LYS 12 13.160 -4.914 -2.790 731 HG2 LYS 12 HG2 LYS 12 13.750 -4.482 -5.151 732 HG3 LYS 12 HG3 LYS 12 15.428 -4.933 -4.820 733 HD2 LYS 12 HD2 LYS 12 14.718 -7.228 -4.262 734 HD3 LYS 12 HD3 LYS 12 13.028 -6.782 -4.512 735 HE2 LYS 12 HE2 LYS 12 13.904 -8.007 -6.445 736 HE3 LYS 12 HE3 LYS 12 13.498 -6.354 -6.899 737 HZ1 LYS 12 HZ1 LYS 12 16.222 -7.368 -6.314 738 HZ2 LYS 12 HZ2 LYS 12 15.836 -5.782 -6.758 739 HZ3 LYS 12 HZ3 LYS 12 15.588 -7.046 -7.847 740 H VAL 13 H VAL 13 12.112 -2.645 -2.457 741 HA VAL 13 HA VAL 13 11.473 -1.534 -4.958 742 HB VAL 13 HB VAL 13 10.106 -1.107 -2.260 743 HG11 VAL 13 HG11 VAL 13 9.018 -0.499 -5.043 744 HG12 VAL 13 HG12 VAL 13 9.400 0.686 -3.792 745 HG13 VAL 13 HG13 VAL 13 8.074 -0.452 -3.550 746 HG21 VAL 13 HG21 VAL 13 10.192 -3.477 -2.950 747 HG22 VAL 13 HG22 VAL 13 9.474 -3.067 -4.510 748 HG23 VAL 13 HG23 VAL 13 8.535 -2.873 -3.028 749 H TRP 14 H TRP 14 12.276 0.129 -1.896 750 HA TRP 14 HA TRP 14 12.010 2.794 -2.762 751 HB2 TRP 14 HB2 TRP 14 12.184 2.085 -0.347 752 HB3 TRP 14 HB3 TRP 14 13.906 1.813 -0.573 753 HD1 TRP 14 HD1 TRP 14 11.336 4.650 -0.181 754 HE1 TRP 14 HE1 TRP 14 12.593 6.833 0.298 755 HE3 TRP 14 HE3 TRP 14 16.093 3.088 -1.055 756 HZ2 TRP 14 HZ2 TRP 14 15.228 7.800 0.317 757 HZ3 TRP 14 HZ3 TRP 14 17.958 4.693 -0.787 758 HH2 TRP 14 HH2 TRP 14 17.525 7.012 -0.120 759 H HIS 15 H HIS 15 14.906 0.684 -2.706 760 HA HIS 15 HA HIS 15 16.817 2.615 -3.495 761 HB2 HIS 15 HB2 HIS 15 17.505 0.486 -2.496 762 HB3 HIS 15 HB3 HIS 15 16.847 -0.411 -3.861 763 HD1 HIS 15 HD1 HIS 15 19.554 2.191 -3.193 764 HD2 HIS 15 HD2 HIS 15 18.705 -0.912 -5.826 765 HE1 HIS 15 HE1 HIS 15 21.556 2.006 -4.684 766 HE2 HIS 15 HE2 HIS 15 21.086 0.032 -6.156 767 H ALA 16 H ALA 16 14.892 0.347 -5.448 768 HA ALA 16 HA ALA 16 15.976 1.076 -8.004 769 HB1 ALA 16 HB1 ALA 16 14.143 -0.278 -8.909 770 HB2 ALA 16 HB2 ALA 16 13.351 -0.290 -7.331 771 HB3 ALA 16 HB3 ALA 16 14.903 -1.101 -7.545 772 H LEU 17 H LEU 17 13.261 2.183 -6.079 773 HA LEU 17 HA LEU 17 12.092 4.008 -7.949 774 HB2 LEU 17 HB2 LEU 17 10.780 3.044 -6.164 775 HB3 LEU 17 HB3 LEU 17 11.893 3.593 -4.940 776 HG LEU 17 HG LEU 17 9.589 4.724 -5.076 777 HD11 LEU 17 HD11 LEU 17 11.420 5.601 -3.705 778 HD12 LEU 17 HD12 LEU 17 10.404 6.884 -4.364 779 HD13 LEU 17 HD13 LEU 17 11.989 6.565 -5.072 780 HD21 LEU 17 HD21 LEU 17 9.465 5.033 -7.501 781 HD22 LEU 17 HD22 LEU 17 10.817 6.168 -7.446 782 HD23 LEU 17 HD23 LEU 17 9.291 6.569 -6.653 783 H ASN 18 H ASN 18 14.702 4.239 -5.582 784 HA ASN 18 HA ASN 18 14.910 7.139 -5.697 785 HB2 ASN 18 HB2 ASN 18 15.428 5.796 -3.614 786 HB3 ASN 18 HB3 ASN 18 16.839 5.131 -4.431 787 HD21 ASN 18 HD21 ASN 18 18.652 6.464 -4.726 788 HD22 ASN 18 HD22 ASN 18 18.822 7.987 -3.935 789 H GLU 19 H GLU 19 16.157 4.434 -7.449 790 HA GLU 19 HA GLU 19 18.477 5.599 -8.641 791 HB2 GLU 19 HB2 GLU 19 18.040 3.156 -8.601 792 HB3 GLU 19 HB3 GLU 19 16.634 3.371 -9.631 793 HG2 GLU 19 HG2 GLU 19 18.496 2.496 -10.923 794 HG3 GLU 19 HG3 GLU 19 18.088 4.119 -11.474 795 H ALA 20 H ALA 20 15.022 5.607 -9.417 796 HA ALA 20 HA ALA 20 15.202 8.121 -10.812 797 HB1 ALA 20 HB1 ALA 20 14.202 7.390 -12.952 798 HB2 ALA 20 HB2 ALA 20 14.283 5.706 -12.427 799 HB3 ALA 20 HB3 ALA 20 15.769 6.617 -12.698 800 H ASP 21 H ASP 21 13.551 9.137 -9.730 801 HA ASP 21 HA ASP 21 11.212 7.600 -8.815 802 HB2 ASP 21 HB2 ASP 21 10.773 9.503 -7.317 803 HB3 ASP 21 HB3 ASP 21 12.417 8.906 -7.129 804 H GLY 22 H GLY 22 9.119 9.079 -8.664 805 HA2 GLY 22 HA2 GLY 22 7.370 10.065 -9.820 806 HA3 GLY 22 HA3 GLY 22 8.497 10.571 -11.074 807 H ILE 23 H ILE 23 7.720 7.356 -9.785 808 HA ILE 23 HA ILE 23 6.595 6.495 -12.372 809 HB ILE 23 HB ILE 23 8.962 5.810 -12.376 810 HG12 ILE 23 HG12 ILE 23 7.154 3.383 -11.969 811 HG13 ILE 23 HG13 ILE 23 7.237 4.331 -13.449 812 HG21 ILE 23 HG21 ILE 23 9.403 5.703 -9.969 813 HG22 ILE 23 HG22 ILE 23 9.882 4.194 -10.747 814 HG23 ILE 23 HG23 ILE 23 8.381 4.269 -9.822 815 HD11 ILE 23 HD11 ILE 23 9.574 3.658 -13.734 816 HD12 ILE 23 HD12 ILE 23 8.482 2.276 -13.646 817 HD13 ILE 23 HD13 ILE 23 9.474 2.702 -12.251 818 H SER 24 H SER 24 4.930 5.038 -12.229 819 HA SER 24 HA SER 24 3.497 5.033 -9.722 820 HB2 SER 24 HB2 SER 24 2.742 3.926 -12.453 821 HB3 SER 24 HB3 SER 24 1.652 3.978 -11.063 822 HG SER 24 HG SER 24 2.899 6.368 -11.685 823 H ILE 25 H ILE 25 2.397 3.166 -8.879 824 HA ILE 25 HA ILE 25 4.021 1.207 -7.838 825 HB ILE 25 HB ILE 25 0.989 1.147 -8.184 826 HG12 ILE 25 HG12 ILE 25 2.613 2.016 -5.747 827 HG13 ILE 25 HG13 ILE 25 1.956 3.127 -6.940 828 HG21 ILE 25 HG21 ILE 25 2.672 -0.506 -6.274 829 HG22 ILE 25 HG22 ILE 25 1.791 -1.112 -7.677 830 HG23 ILE 25 HG23 ILE 25 0.908 -0.442 -6.306 831 HD11 ILE 25 HD11 ILE 25 0.334 1.315 -5.157 832 HD12 ILE 25 HD12 ILE 25 -0.312 2.452 -6.343 833 HD13 ILE 25 HD13 ILE 25 0.584 3.047 -4.946 834 HA PRO 26 HA PRO 26 2.417 -2.256 -10.856 835 HB2 PRO 26 HB2 PRO 26 1.222 -1.635 -13.245 836 HB3 PRO 26 HB3 PRO 26 0.307 -1.821 -11.739 837 HG2 PRO 26 HG2 PRO 26 1.281 0.712 -13.066 838 HG3 PRO 26 HG3 PRO 26 -0.316 0.356 -12.367 839 HD2 PRO 26 HD2 PRO 26 1.561 1.777 -11.002 840 HD3 PRO 26 HD3 PRO 26 0.418 0.695 -10.176 841 H GLU 27 H GLU 27 3.806 0.669 -12.208 842 HA GLU 27 HA GLU 27 5.255 -0.573 -14.363 843 HB2 GLU 27 HB2 GLU 27 5.745 2.142 -13.077 844 HB3 GLU 27 HB3 GLU 27 6.279 1.611 -14.673 845 HG2 GLU 27 HG2 GLU 27 3.884 1.456 -15.364 846 HG3 GLU 27 HG3 GLU 27 3.421 2.103 -13.789 847 H LEU 28 H LEU 28 6.286 0.906 -11.249 848 HA LEU 28 HA LEU 28 8.972 0.043 -11.352 849 HB2 LEU 28 HB2 LEU 28 9.154 0.769 -9.021 850 HB3 LEU 28 HB3 LEU 28 8.281 1.937 -9.987 851 HG LEU 28 HG LEU 28 6.128 0.721 -8.950 852 HD11 LEU 28 HD11 LEU 28 6.427 -0.015 -6.647 853 HD12 LEU 28 HD12 LEU 28 8.178 0.154 -6.797 854 HD13 LEU 28 HD13 LEU 28 7.317 -1.047 -7.764 855 HD21 LEU 28 HD21 LEU 28 6.650 3.101 -8.644 856 HD22 LEU 28 HD22 LEU 28 7.749 2.704 -7.320 857 HD23 LEU 28 HD23 LEU 28 6.016 2.378 -7.164 858 H ALA 29 H ALA 29 6.072 -1.563 -10.189 859 HA ALA 29 HA ALA 29 7.040 -3.706 -8.720 860 HB1 ALA 29 HB1 ALA 29 5.010 -4.924 -9.407 861 HB2 ALA 29 HB2 ALA 29 4.743 -3.756 -10.707 862 HB3 ALA 29 HB3 ALA 29 4.646 -3.239 -9.022 863 H ARG 30 H ARG 30 7.014 -3.331 -12.236 864 HA ARG 30 HA ARG 30 7.746 -6.015 -12.876 865 HB2 ARG 30 HB2 ARG 30 7.801 -3.471 -14.542 866 HB3 ARG 30 HB3 ARG 30 8.106 -5.088 -15.195 867 HG2 ARG 30 HG2 ARG 30 5.850 -5.801 -14.440 868 HG3 ARG 30 HG3 ARG 30 5.548 -4.171 -13.833 869 HD2 ARG 30 HD2 ARG 30 5.592 -3.263 -16.073 870 HD3 ARG 30 HD3 ARG 30 6.120 -4.812 -16.749 871 HE ARG 30 HE ARG 30 3.839 -5.534 -15.588 872 HH11 ARG 30 HH11 ARG 30 4.423 -2.817 -17.651 873 HH12 ARG 30 HH12 ARG 30 2.798 -2.809 -18.237 874 HH21 ARG 30 HH21 ARG 30 1.804 -5.493 -16.355 875 HH22 ARG 30 HH22 ARG 30 1.339 -4.301 -17.519 876 H LYS 31 H LYS 31 9.737 -3.069 -12.330 877 HA LYS 31 HA LYS 31 12.158 -4.365 -13.276 878 HB2 LYS 31 HB2 LYS 31 13.403 -2.429 -12.511 879 HB3 LYS 31 HB3 LYS 31 11.978 -1.914 -13.398 880 HG2 LYS 31 HG2 LYS 31 10.886 -1.130 -11.446 881 HG3 LYS 31 HG3 LYS 31 11.977 -2.008 -10.373 882 HD2 LYS 31 HD2 LYS 31 12.456 0.413 -10.359 883 HD3 LYS 31 HD3 LYS 31 13.827 -0.515 -10.967 884 HE2 LYS 31 HE2 LYS 31 13.554 1.456 -12.339 885 HE3 LYS 31 HE3 LYS 31 13.103 0.051 -13.305 886 HZ1 LYS 31 HZ1 LYS 31 10.776 0.549 -12.782 887 HZ2 LYS 31 HZ2 LYS 31 11.537 1.800 -13.617 888 HZ3 LYS 31 HZ3 LYS 31 11.266 1.942 -11.955 889 H VAL 32 H VAL 32 10.586 -3.973 -10.121 890 HA VAL 32 HA VAL 32 12.796 -5.279 -8.703 891 HB VAL 32 HB VAL 32 11.461 -5.027 -6.652 892 HG11 VAL 32 HG11 VAL 32 11.540 -2.456 -8.283 893 HG12 VAL 32 HG12 VAL 32 12.868 -3.132 -7.334 894 HG13 VAL 32 HG13 VAL 32 11.412 -2.554 -6.522 895 HG21 VAL 32 HG21 VAL 32 9.192 -5.376 -7.547 896 HG22 VAL 32 HG22 VAL 32 9.273 -3.841 -8.413 897 HG23 VAL 32 HG23 VAL 32 9.267 -3.857 -6.647 898 H ASN 33 H ASN 33 10.193 -6.314 -10.564 899 HA ASN 33 HA ASN 33 9.500 -8.354 -11.213 900 HB2 ASN 33 HB2 ASN 33 11.968 -8.912 -10.857 901 HB3 ASN 33 HB3 ASN 33 11.535 -9.565 -9.288 902 HD21 ASN 33 HD21 ASN 33 10.475 -11.566 -9.202 903 HD22 ASN 33 HD22 ASN 33 10.312 -12.592 -10.579 904 H LEU 34 H LEU 34 8.491 -6.974 -8.651 905 HA LEU 34 HA LEU 34 7.192 -9.243 -7.253 906 HB2 LEU 34 HB2 LEU 34 7.344 -6.309 -6.446 907 HB3 LEU 34 HB3 LEU 34 6.645 -7.608 -5.487 908 HG LEU 34 HG LEU 34 9.595 -7.427 -6.249 909 HD11 LEU 34 HD11 LEU 34 8.268 -6.763 -3.601 910 HD12 LEU 34 HD12 LEU 34 9.006 -5.618 -4.726 911 HD13 LEU 34 HD13 LEU 34 10.009 -6.813 -3.909 912 HD21 LEU 34 HD21 LEU 34 8.871 -9.749 -5.909 913 HD22 LEU 34 HD22 LEU 34 8.181 -9.331 -4.340 914 HD23 LEU 34 HD23 LEU 34 9.926 -9.235 -4.591 915 H SER 35 H SER 35 4.908 -9.003 -6.665 916 HA SER 35 HA SER 35 3.163 -8.228 -8.769 917 HB2 SER 35 HB2 SER 35 2.532 -8.913 -5.862 918 HB3 SER 35 HB3 SER 35 1.328 -8.771 -7.148 919 HG SER 35 HG SER 35 1.865 -10.673 -7.854 920 H VAL 36 H VAL 36 1.408 -6.637 -8.664 921 HA VAL 36 HA VAL 36 2.270 -4.028 -8.025 922 HB VAL 36 HB VAL 36 -0.572 -4.954 -8.637 923 HG11 VAL 36 HG11 VAL 36 -0.919 -2.591 -9.411 924 HG12 VAL 36 HG12 VAL 36 0.679 -2.178 -8.773 925 HG13 VAL 36 HG13 VAL 36 -0.602 -2.711 -7.677 926 HG21 VAL 36 HG21 VAL 36 -0.076 -4.321 -10.989 927 HG22 VAL 36 HG22 VAL 36 0.979 -5.624 -10.434 928 HG23 VAL 36 HG23 VAL 36 1.596 -3.973 -10.541 929 H GLU 37 H GLU 37 -0.127 -6.116 -6.379 930 HA GLU 37 HA GLU 37 -0.808 -4.364 -4.268 931 HB2 GLU 37 HB2 GLU 37 -0.752 -7.405 -4.237 932 HB3 GLU 37 HB3 GLU 37 -1.586 -6.389 -3.062 933 HG2 GLU 37 HG2 GLU 37 -3.064 -5.544 -4.849 934 HG3 GLU 37 HG3 GLU 37 -2.227 -6.559 -6.020 935 H SER 38 H SER 38 1.945 -6.566 -4.630 936 HA SER 38 HA SER 38 3.003 -6.483 -2.002 937 HB2 SER 38 HB2 SER 38 4.513 -6.803 -4.630 938 HB3 SER 38 HB3 SER 38 5.140 -7.204 -3.031 939 HG SER 38 HG SER 38 4.045 -8.879 -4.511 940 H THR 39 H THR 39 3.548 -4.436 -4.852 941 HA THR 39 HA THR 39 5.578 -2.802 -3.628 942 HB THR 39 HB THR 39 5.244 -1.402 -5.794 943 HG1 THR 39 HG1 THR 39 3.990 -2.247 -7.360 944 HG21 THR 39 HG21 THR 39 7.057 -3.073 -5.496 945 HG22 THR 39 HG22 THR 39 6.453 -3.011 -7.150 946 HG23 THR 39 HG23 THR 39 5.966 -4.334 -6.088 947 H ALA 40 H ALA 40 2.127 -2.240 -4.423 948 HA ALA 40 HA ALA 40 1.806 0.407 -3.605 949 HB1 ALA 40 HB1 ALA 40 -0.188 -1.869 -3.267 950 HB2 ALA 40 HB2 ALA 40 0.036 -0.902 -4.727 951 HB3 ALA 40 HB3 ALA 40 -0.578 -0.144 -3.257 952 H LEU 41 H LEU 41 1.533 -2.524 -1.684 953 HA LEU 41 HA LEU 41 1.060 -1.347 0.852 954 HB2 LEU 41 HB2 LEU 41 0.271 -3.539 0.429 955 HB3 LEU 41 HB3 LEU 41 1.805 -4.087 -0.189 956 HG LEU 41 HG LEU 41 0.980 -5.075 2.029 957 HD11 LEU 41 HD11 LEU 41 3.769 -3.920 2.040 958 HD12 LEU 41 HD12 LEU 41 3.256 -5.359 1.156 959 HD13 LEU 41 HD13 LEU 41 3.183 -5.338 2.912 960 HD21 LEU 41 HD21 LEU 41 1.455 -3.861 4.099 961 HD22 LEU 41 HD22 LEU 41 0.247 -3.008 3.138 962 HD23 LEU 41 HD23 LEU 41 1.914 -2.423 3.180 963 H ALA 42 H ALA 42 4.052 -2.417 -0.784 964 HA ALA 42 HA ALA 42 5.847 -2.016 1.396 965 HB1 ALA 42 HB1 ALA 42 6.422 -3.436 -0.530 966 HB2 ALA 42 HB2 ALA 42 7.646 -2.189 -0.279 967 HB3 ALA 42 HB3 ALA 42 6.465 -2.018 -1.582 968 H VAL 43 H VAL 43 4.827 0.118 -1.254 969 HA VAL 43 HA VAL 43 6.433 2.371 -0.653 970 HB VAL 43 HB VAL 43 3.809 2.099 -2.187 971 HG11 VAL 43 HG11 VAL 43 5.518 4.609 -1.990 972 HG12 VAL 43 HG12 VAL 43 3.896 4.409 -1.322 973 HG13 VAL 43 HG13 VAL 43 4.139 4.386 -3.069 974 HG21 VAL 43 HG21 VAL 43 5.229 2.427 -4.193 975 HG22 VAL 43 HG22 VAL 43 5.774 1.036 -3.252 976 HG23 VAL 43 HG23 VAL 43 6.661 2.559 -3.165 977 H GLY 44 H GLY 44 3.235 1.317 0.502 978 HA2 GLY 44 HA2 GLY 44 2.612 3.535 2.165 979 HA3 GLY 44 HA3 GLY 44 2.015 1.894 2.367 980 H TRP 45 H TRP 45 4.512 0.589 2.758 981 HA TRP 45 HA TRP 45 5.054 0.989 5.525 982 HB2 TRP 45 HB2 TRP 45 5.297 -1.208 4.406 983 HB3 TRP 45 HB3 TRP 45 6.623 -0.581 3.432 984 HD1 TRP 45 HD1 TRP 45 9.023 -0.837 4.462 985 HE1 TRP 45 HE1 TRP 45 9.948 -1.655 6.709 986 HE3 TRP 45 HE3 TRP 45 4.647 -1.115 7.098 987 HZ2 TRP 45 HZ2 TRP 45 8.978 -2.329 9.259 988 HZ3 TRP 45 HZ3 TRP 45 4.733 -1.850 9.448 989 HH2 TRP 45 HH2 TRP 45 6.860 -2.443 10.506 990 H LEU 46 H LEU 46 6.667 2.120 2.587 991 HA LEU 46 HA LEU 46 8.867 3.434 3.882 992 HB2 LEU 46 HB2 LEU 46 7.576 3.896 1.164 993 HB3 LEU 46 HB3 LEU 46 9.093 4.625 1.680 994 HG LEU 46 HG LEU 46 8.645 1.620 1.439 995 HD11 LEU 46 HD11 LEU 46 9.995 1.688 -0.606 996 HD12 LEU 46 HD12 LEU 46 10.053 3.451 -0.527 997 HD13 LEU 46 HD13 LEU 46 8.511 2.625 -0.780 998 HD21 LEU 46 HD21 LEU 46 11.205 3.200 1.881 999 HD22 LEU 46 HD22 LEU 46 11.097 1.451 1.659 1000 HD23 LEU 46 HD23 LEU 46 10.372 2.202 3.077 1001 H ALA 47 H ALA 47 5.612 4.428 2.899 1002 HA ALA 47 HA ALA 47 5.735 7.187 3.420 1003 HB1 ALA 47 HB1 ALA 47 3.294 5.384 3.532 1004 HB2 ALA 47 HB2 ALA 47 3.952 6.139 2.077 1005 HB3 ALA 47 HB3 ALA 47 3.283 7.142 3.366 1006 H ARG 48 H ARG 48 5.292 4.508 5.703 1007 HA ARG 48 HA ARG 48 4.217 5.889 7.915 1008 HB2 ARG 48 HB2 ARG 48 4.874 4.067 9.292 1009 HB3 ARG 48 HB3 ARG 48 4.644 3.332 7.710 1010 HG2 ARG 48 HG2 ARG 48 7.067 3.308 7.348 1011 HG3 ARG 48 HG3 ARG 48 7.328 4.151 8.864 1012 HD2 ARG 48 HD2 ARG 48 6.393 2.190 10.083 1013 HD3 ARG 48 HD3 ARG 48 6.257 1.335 8.537 1014 HE ARG 48 HE ARG 48 8.812 1.950 8.430 1015 HH11 ARG 48 HH11 ARG 48 7.116 0.790 11.202 1016 HH12 ARG 48 HH12 ARG 48 8.529 0.064 11.875 1017 HH21 ARG 48 HH21 ARG 48 10.583 1.047 9.307 1018 HH22 ARG 48 HH22 ARG 48 10.470 0.209 10.817 1019 H GLU 49 H GLU 49 7.552 5.699 6.747 1020 HA GLU 49 HA GLU 49 8.562 7.562 8.816 1021 HB2 GLU 49 HB2 GLU 49 10.049 5.742 6.871 1022 HB3 GLU 49 HB3 GLU 49 10.831 6.834 8.010 1023 HG2 GLU 49 HG2 GLU 49 9.924 5.580 9.896 1024 HG3 GLU 49 HG3 GLU 49 9.019 4.539 8.804 1025 H ASN 50 H ASN 50 7.167 7.755 5.907 1026 HA ASN 50 HA ASN 50 7.009 9.174 4.180 1027 HB2 ASN 50 HB2 ASN 50 6.931 10.753 6.241 1028 HB3 ASN 50 HB3 ASN 50 8.569 11.224 5.806 1029 HD21 ASN 50 HD21 ASN 50 8.872 12.436 3.900 1030 HD22 ASN 50 HD22 ASN 50 7.566 13.229 3.101 1031 H LYS 51 H LYS 51 9.207 7.367 4.144 1032 HA LYS 51 HA LYS 51 11.541 8.520 2.962 1033 HB2 LYS 51 HB2 LYS 51 10.498 5.680 2.593 1034 HB3 LYS 51 HB3 LYS 51 12.154 6.237 2.358 1035 HG2 LYS 51 HG2 LYS 51 10.662 6.085 5.003 1036 HG3 LYS 51 HG3 LYS 51 11.920 4.976 4.453 1037 HD2 LYS 51 HD2 LYS 51 12.332 7.955 4.985 1038 HD3 LYS 51 HD3 LYS 51 12.721 6.670 6.131 1039 HE2 LYS 51 HE2 LYS 51 14.392 5.762 4.544 1040 HE3 LYS 51 HE3 LYS 51 13.980 7.028 3.383 1041 HZ1 LYS 51 HZ1 LYS 51 14.749 8.677 4.936 1042 HZ2 LYS 51 HZ2 LYS 51 15.973 7.539 4.664 1043 HZ3 LYS 51 HZ3 LYS 51 15.081 7.495 6.097 1044 H VAL 52 H VAL 52 8.385 7.902 1.784 1045 HA VAL 52 HA VAL 52 9.146 8.839 -0.910 1046 HB VAL 52 HB VAL 52 7.296 7.474 -1.916 1047 HG11 VAL 52 HG11 VAL 52 9.424 5.785 -0.542 1048 HG12 VAL 52 HG12 VAL 52 9.609 6.639 -2.076 1049 HG13 VAL 52 HG13 VAL 52 8.469 5.298 -1.948 1050 HG21 VAL 52 HG21 VAL 52 7.144 6.122 0.815 1051 HG22 VAL 52 HG22 VAL 52 6.313 5.565 -0.638 1052 HG23 VAL 52 HG23 VAL 52 5.891 7.121 0.075 1053 H VAL 53 H VAL 53 7.525 10.147 -1.912 1054 HA VAL 53 HA VAL 53 5.453 11.245 -0.100 1055 HB VAL 53 HB VAL 53 5.670 13.405 -1.484 1056 HG11 VAL 53 HG11 VAL 53 8.066 12.569 0.208 1057 HG12 VAL 53 HG12 VAL 53 6.549 13.231 0.823 1058 HG13 VAL 53 HG13 VAL 53 7.608 14.232 -0.171 1059 HG21 VAL 53 HG21 VAL 53 7.821 13.812 -2.634 1060 HG22 VAL 53 HG22 VAL 53 6.913 12.512 -3.406 1061 HG23 VAL 53 HG23 VAL 53 8.283 12.127 -2.364 1062 H ILE 54 H ILE 54 3.494 10.720 -0.669 1063 HA ILE 54 HA ILE 54 2.802 9.643 -3.268 1064 HB ILE 54 HB ILE 54 1.117 10.111 -0.765 1065 HG12 ILE 54 HG12 ILE 54 2.881 8.419 -0.407 1066 HG13 ILE 54 HG13 ILE 54 1.300 7.648 -0.429 1067 HG21 ILE 54 HG21 ILE 54 -0.366 10.093 -2.716 1068 HG22 ILE 54 HG22 ILE 54 -0.587 8.611 -1.787 1069 HG23 ILE 54 HG23 ILE 54 0.348 8.582 -3.284 1070 HD11 ILE 54 HD11 ILE 54 1.711 6.887 -2.724 1071 HD12 ILE 54 HD12 ILE 54 2.941 6.315 -1.599 1072 HD13 ILE 54 HD13 ILE 54 3.304 7.651 -2.689 1073 H GLU 55 H GLU 55 2.603 11.127 -4.865 1074 HA GLU 55 HA GLU 55 0.882 13.522 -4.453 1075 HB2 GLU 55 HB2 GLU 55 3.244 13.164 -6.346 1076 HB3 GLU 55 HB3 GLU 55 2.223 14.599 -6.254 1077 HG2 GLU 55 HG2 GLU 55 3.006 15.049 -3.984 1078 HG3 GLU 55 HG3 GLU 55 3.947 13.554 -3.985 1079 H ARG 56 H ARG 56 -1.081 12.968 -5.311 1080 HA ARG 56 HA ARG 56 -1.202 11.402 -7.786 1081 HB2 ARG 56 HB2 ARG 56 -3.734 11.453 -7.391 1082 HB3 ARG 56 HB3 ARG 56 -2.755 10.543 -6.250 1083 HG2 ARG 56 HG2 ARG 56 -2.910 12.370 -4.638 1084 HG3 ARG 56 HG3 ARG 56 -3.897 13.302 -5.776 1085 HD2 ARG 56 HD2 ARG 56 -5.582 11.423 -5.723 1086 HD3 ARG 56 HD3 ARG 56 -4.619 10.660 -4.449 1087 HE ARG 56 HE ARG 56 -5.274 13.342 -3.766 1088 HH11 ARG 56 HH11 ARG 56 -6.700 10.184 -3.870 1089 HH12 ARG 56 HH12 ARG 56 -7.905 10.586 -2.704 1090 HH21 ARG 56 HH21 ARG 56 -6.839 13.820 -2.311 1091 HH22 ARG 56 HH22 ARG 56 -7.991 12.618 -1.846 1092 H LYS 57 H LYS 57 -0.937 12.430 -9.541 1093 HA LYS 57 HA LYS 57 -1.722 15.258 -9.918 1094 HB2 LYS 57 HB2 LYS 57 0.349 13.460 -11.243 1095 HB3 LYS 57 HB3 LYS 57 -0.036 15.067 -11.854 1096 HG2 LYS 57 HG2 LYS 57 0.897 16.146 -9.988 1097 HG3 LYS 57 HG3 LYS 57 0.838 14.699 -8.981 1098 HD2 LYS 57 HD2 LYS 57 2.737 13.747 -10.002 1099 HD3 LYS 57 HD3 LYS 57 2.617 14.776 -11.435 1100 HE2 LYS 57 HE2 LYS 57 4.518 15.409 -9.985 1101 HE3 LYS 57 HE3 LYS 57 3.348 16.718 -10.129 1102 HZ1 LYS 57 HZ1 LYS 57 4.113 16.466 -7.868 1103 HZ2 LYS 57 HZ2 LYS 57 3.599 14.856 -7.836 1104 HZ3 LYS 57 HZ3 LYS 57 2.464 16.101 -7.970 1105 H ASN 58 H ASN 58 -3.237 15.770 -11.410 1106 HA ASN 58 HA ASN 58 -5.126 15.568 -12.645 1107 HB2 ASN 58 HB2 ASN 58 -3.483 13.484 -14.151 1108 HB3 ASN 58 HB3 ASN 58 -4.913 14.307 -14.776 1109 HD21 ASN 58 HD21 ASN 58 -2.070 14.261 -15.703 1110 HD22 ASN 58 HD22 ASN 58 -1.618 15.921 -15.829 1111 H GLY 59 H GLY 59 -4.964 13.973 -10.261 1112 HA2 GLY 59 HA2 GLY 59 -6.430 12.528 -9.144 1113 HA3 GLY 59 HA3 GLY 59 -7.029 11.944 -10.686 1114 H LEU 60 H LEU 60 -4.140 11.447 -11.562 1115 HA LEU 60 HA LEU 60 -4.101 8.656 -10.771 1116 HB2 LEU 60 HB2 LEU 60 -2.386 10.256 -12.721 1117 HB3 LEU 60 HB3 LEU 60 -2.094 8.562 -12.382 1118 HG LEU 60 HG LEU 60 -3.271 8.703 -14.467 1119 HD11 LEU 60 HD11 LEU 60 -3.902 6.824 -13.057 1120 HD12 LEU 60 HD12 LEU 60 -5.248 7.339 -14.070 1121 HD13 LEU 60 HD13 LEU 60 -5.223 7.764 -12.356 1122 HD21 LEU 60 HD21 LEU 60 -5.469 9.743 -14.763 1123 HD22 LEU 60 HD22 LEU 60 -4.264 10.926 -14.260 1124 HD23 LEU 60 HD23 LEU 60 -5.440 10.319 -13.092 1125 H ILE 61 H ILE 61 -2.848 7.773 -9.211 1126 HA ILE 61 HA ILE 61 -1.289 9.510 -7.524 1127 HB ILE 61 HB ILE 61 -1.633 6.480 -7.218 1128 HG12 ILE 61 HG12 ILE 61 -3.265 7.170 -5.323 1129 HG13 ILE 61 HG13 ILE 61 -3.252 8.786 -6.004 1130 HG21 ILE 61 HG21 ILE 61 -0.673 8.582 -5.218 1131 HG22 ILE 61 HG22 ILE 61 0.348 7.378 -6.024 1132 HG23 ILE 61 HG23 ILE 61 -0.887 6.856 -4.880 1133 HD11 ILE 61 HD11 ILE 61 -5.236 7.547 -6.625 1134 HD12 ILE 61 HD12 ILE 61 -4.251 6.292 -7.377 1135 HD13 ILE 61 HD13 ILE 61 -4.270 7.924 -8.050 1136 H GLU 62 H GLU 62 0.824 9.876 -7.628 1137 HA GLU 62 HA GLU 62 2.609 8.155 -9.263 1138 HB2 GLU 62 HB2 GLU 62 1.953 10.510 -10.160 1139 HB3 GLU 62 HB3 GLU 62 2.952 11.162 -8.873 1140 HG2 GLU 62 HG2 GLU 62 4.301 11.156 -10.826 1141 HG3 GLU 62 HG3 GLU 62 4.885 9.818 -9.835 1142 H ILE 63 H ILE 63 4.666 7.686 -8.383 1143 HA ILE 63 HA ILE 63 4.947 8.259 -5.482 1144 HB ILE 63 HB ILE 63 5.959 5.831 -7.044 1145 HG12 ILE 63 HG12 ILE 63 4.452 4.533 -5.429 1146 HG13 ILE 63 HG13 ILE 63 3.786 6.072 -4.902 1147 HG21 ILE 63 HG21 ILE 63 6.784 4.939 -4.878 1148 HG22 ILE 63 HG22 ILE 63 6.352 6.459 -4.090 1149 HG23 ILE 63 HG23 ILE 63 7.609 6.435 -5.328 1150 HD11 ILE 63 HD11 ILE 63 3.610 4.920 -7.681 1151 HD12 ILE 63 HD12 ILE 63 2.913 6.451 -7.147 1152 HD13 ILE 63 HD13 ILE 63 2.332 4.934 -6.466 1153 H TYR 64 H TYR 64 6.369 9.807 -5.164 1154 HA TYR 64 HA TYR 64 8.950 9.909 -6.628 1155 HB2 TYR 64 HB2 TYR 64 7.441 12.000 -5.003 1156 HB3 TYR 64 HB3 TYR 64 9.078 12.251 -5.579 1157 HD1 TYR 64 HD2 TYR 64 5.532 11.848 -6.630 1158 HD2 TYR 64 HD1 TYR 64 9.491 12.823 -7.921 1159 HE1 TYR 64 HE2 TYR 64 4.635 12.693 -8.753 1160 HE2 TYR 64 HE1 TYR 64 8.589 13.664 -10.046 1161 HH TYR 64 HH TYR 64 6.548 13.280 -11.451 1162 H ASN 65 H ASN 65 10.906 10.375 -5.321 1163 HA ASN 65 HA ASN 65 11.005 8.715 -2.935 1164 HB2 ASN 65 HB2 ASN 65 13.480 9.067 -3.061 1165 HB3 ASN 65 HB3 ASN 65 12.785 8.416 -4.536 1166 HD21 ASN 65 HD21 ASN 65 14.619 9.103 -5.692 1167 HD22 ASN 65 HD22 ASN 65 14.845 10.753 -6.135 1168 H GLU 66 H GLU 66 12.341 9.411 -1.044 1169 HA GLU 66 HA GLU 66 11.496 11.650 0.359 1170 HB2 GLU 66 HB2 GLU 66 12.551 9.708 1.393 1171 HB3 GLU 66 HB3 GLU 66 14.076 10.056 0.590 1172 HG2 GLU 66 HG2 GLU 66 14.366 12.069 1.937 1173 HG3 GLU 66 HG3 GLU 66 12.779 11.835 2.674 1174 H GLY 67 H GLY 67 14.167 11.399 -1.954 1175 HA2 GLY 67 HA2 GLY 67 15.552 13.817 -1.404 1176 HA3 GLY 67 HA3 GLY 67 15.590 12.930 -2.920 1177 H HIS 68 H HIS 68 12.433 13.408 -2.780 1178 HA HIS 68 HA HIS 68 12.149 15.649 -4.460 1179 HB2 HIS 68 HB2 HIS 68 10.451 13.856 -4.224 1180 HB3 HIS 68 HB3 HIS 68 10.102 14.382 -2.584 1181 HD1 HIS 68 HD1 HIS 68 8.755 16.609 -2.329 1182 HD2 HIS 68 HD2 HIS 68 9.170 15.288 -6.240 1183 HE1 HIS 68 HE1 HIS 68 7.053 17.886 -3.642 1184 HE2 HIS 68 HE2 HIS 68 7.116 16.823 -5.908 1185 H PHE 69 H PHE 69 12.110 15.401 -0.924 1186 HA PHE 69 HA PHE 69 12.194 18.368 -0.720 1187 HB2 PHE 69 HB2 PHE 69 11.322 18.191 1.572 1188 HB3 PHE 69 HB3 PHE 69 10.200 17.456 0.439 1189 HD1 PHE 69 HD1 PHE 69 9.946 14.956 0.371 1190 HD2 PHE 69 HD2 PHE 69 12.380 16.869 3.331 1191 HE1 PHE 69 HE1 PHE 69 9.917 12.907 1.732 1192 HE2 PHE 69 HE2 PHE 69 12.345 14.813 4.678 1193 HZ PHE 69 HZ PHE 69 11.113 12.836 3.882 1194 H ASP 70 H ASP 70 13.675 19.267 0.791 1195 HA ASP 70 HA ASP 70 15.746 19.599 1.655 1196 HB2 ASP 70 HB2 ASP 70 14.634 18.181 3.454 1197 HB3 ASP 70 HB3 ASP 70 15.434 16.772 2.765 1198 H PHE 71 H PHE 71 15.815 18.932 -0.981 1199 HA PHE 71 HA PHE 71 17.407 16.761 -1.785 1200 HB2 PHE 71 HB2 PHE 71 15.905 18.063 -3.293 1201 HB3 PHE 71 HB3 PHE 71 17.006 19.432 -3.200 1202 HD1 PHE 71 HD2 PHE 71 16.698 15.905 -4.388 1203 HD2 PHE 71 HD1 PHE 71 18.938 19.546 -4.651 1204 HE1 PHE 71 HE2 PHE 71 17.941 15.010 -6.316 1205 HE2 PHE 71 HE1 PHE 71 20.175 18.635 -6.576 1206 HZ PHE 71 HZ PHE 71 19.675 16.373 -7.405 1207 H SER 72 H SER 72 19.361 16.457 -0.874 1208 HA SER 72 HA SER 72 21.207 18.522 -0.115 1209 HB2 SER 72 HB2 SER 72 21.570 15.496 -0.278 1210 HB3 SER 72 HB3 SER 72 22.704 16.610 0.492 1211 HG SER 72 HG SER 72 20.397 15.558 1.457 1212 H PHE 73 H PHE 73 23.631 18.255 -0.810 1213 HA PHE 73 HA PHE 73 23.801 18.963 -3.577 1214 HB2 PHE 73 HB2 PHE 73 26.053 18.437 -1.585 1215 HB3 PHE 73 HB3 PHE 73 26.241 19.226 -3.150 1216 HD1 PHE 73 HD2 PHE 73 24.601 21.328 -3.514 1217 HD2 PHE 73 HD1 PHE 73 25.851 19.844 0.301 1218 HE1 PHE 73 HE2 PHE 73 24.109 23.513 -2.498 1219 HE2 PHE 73 HE1 PHE 73 25.353 22.036 1.307 1220 HZ PHE 73 HZ PHE 73 24.485 23.870 -0.090 1221 H GLY 74 H GLY 74 25.454 16.294 -1.804 1222 HA2 GLY 74 HA2 GLY 74 26.039 14.154 -2.414 1223 HA3 GLY 74 HA3 GLY 74 24.892 14.270 -3.741 1224 H LEU 75 H LEU 75 28.190 15.083 -2.734 1225 HA LEU 75 HA LEU 75 29.111 16.098 -5.245 1226 HB2 LEU 75 HB2 LEU 75 30.660 15.150 -2.803 1227 HB3 LEU 75 HB3 LEU 75 31.406 15.910 -4.197 1228 HG LEU 75 HG LEU 75 29.982 17.980 -3.707 1229 HD11 LEU 75 HD11 LEU 75 29.080 18.309 -1.463 1230 HD12 LEU 75 HD12 LEU 75 29.465 16.639 -1.038 1231 HD13 LEU 75 HD13 LEU 75 28.257 16.979 -2.279 1232 HD21 LEU 75 HD21 LEU 75 31.488 18.827 -1.964 1233 HD22 LEU 75 HD22 LEU 75 32.375 17.896 -3.169 1234 HD23 LEU 75 HD23 LEU 75 32.013 17.182 -1.596 1235 H GLU 76 H GLU 76 28.783 12.901 -4.012 1236 HA GLU 76 HA GLU 76 30.837 11.512 -5.376 1237 HB2 GLU 76 HB2 GLU 76 29.680 10.595 -3.411 1238 HB3 GLU 76 HB3 GLU 76 28.154 10.543 -4.291 1239 HG2 GLU 76 HG2 GLU 76 29.100 8.842 -5.818 1240 HG3 GLU 76 HG3 GLU 76 30.627 8.905 -4.941 1241 H HIS 77 H HIS 77 27.351 11.042 -6.096 1242 HA HIS 77 HA HIS 77 26.311 10.214 -7.931 1243 HB2 HIS 77 HB2 HIS 77 25.932 11.952 -9.647 1244 HB3 HIS 77 HB3 HIS 77 25.850 12.589 -8.015 1245 HD1 HIS 77 HD1 HIS 77 27.945 12.728 -11.134 1246 HD2 HIS 77 HD2 HIS 77 27.743 14.593 -7.424 1247 HE1 HIS 77 HE1 HIS 77 29.461 14.716 -11.296 1248 HE2 HIS 77 HE2 HIS 77 29.284 15.862 -9.072 1249 H HIS 78 H HIS 78 28.045 8.446 -8.120 1250 HA HIS 78 HA HIS 78 29.340 8.492 -10.804 1251 HB2 HIS 78 HB2 HIS 78 29.888 6.687 -8.405 1252 HB3 HIS 78 HB3 HIS 78 30.664 6.522 -9.977 1253 HD1 HIS 78 HD1 HIS 78 32.031 8.779 -10.751 1254 HD2 HIS 78 HD2 HIS 78 31.300 8.296 -6.695 1255 HE1 HIS 78 HE1 HIS 78 33.609 10.340 -9.598 1256 HE2 HIS 78 HE2 HIS 78 33.054 10.135 -7.161 1257 H HIS 79 H HIS 79 28.807 7.001 -12.347 1258 HA HIS 79 HA HIS 79 26.597 5.094 -11.776 1259 HB2 HIS 79 HB2 HIS 79 27.043 6.759 -14.295 1260 HB3 HIS 79 HB3 HIS 79 25.824 5.497 -14.138 1261 HD1 HIS 79 HD1 HIS 79 23.740 6.025 -12.728 1262 HD2 HIS 79 HD2 HIS 79 26.418 9.191 -12.989 1263 HE1 HIS 79 HE1 HIS 79 22.510 8.012 -11.836 1264 HE2 HIS 79 HE2 HIS 79 24.090 9.941 -12.141 1265 H HIS 80 H HIS 80 27.728 3.203 -11.599 1266 HA HIS 80 HA HIS 80 29.554 2.190 -13.587 1267 HB2 HIS 80 HB2 HIS 80 27.932 0.710 -11.459 1268 HB3 HIS 80 HB3 HIS 80 29.205 -0.012 -12.438 1269 HD1 HIS 80 HD1 HIS 80 28.637 1.935 -9.370 1270 HD2 HIS 80 HD2 HIS 80 31.848 0.983 -11.835 1271 HE1 HIS 80 HE1 HIS 80 30.688 2.454 -8.029 1272 HE2 HIS 80 HE2 HIS 80 32.612 1.783 -9.502 1273 H HIS 81 H HIS 81 26.147 2.547 -13.408 1274 HA HIS 81 HA HIS 81 25.163 0.504 -15.075 1275 HB2 HIS 81 HB2 HIS 81 23.720 1.925 -13.675 1276 HB3 HIS 81 HB3 HIS 81 24.153 3.346 -14.614 1277 HD1 HIS 81 HD1 HIS 81 23.160 3.488 -17.049 1278 HD2 HIS 81 HD2 HIS 81 21.624 0.415 -14.717 1279 HE1 HIS 81 HE1 HIS 81 21.068 2.753 -18.214 1280 HE2 HIS 81 HE2 HIS 81 20.106 0.968 -16.735 1281 H HIS 82 H HIS 82 26.363 0.140 -16.903 1282 HA HIS 82 HA HIS 82 26.796 2.324 -18.859 1283 HB2 HIS 82 HB2 HIS 82 28.560 0.795 -19.844 1284 HB3 HIS 82 HB3 HIS 82 28.898 1.359 -18.216 1285 HD1 HIS 82 HD1 HIS 82 27.439 -1.756 -19.869 1286 HD2 HIS 82 HD2 HIS 82 29.649 -0.658 -16.527 1287 HE1 HIS 82 HE1 HIS 82 28.097 -3.904 -18.767 1288 HE2 HIS 82 HE2 HIS 82 29.608 -3.219 -16.891 Start of MODEL 10 1 H1 MET 1 H1 MET 1 1.886 16.542 2.079 2 H2 MET 1 H2 MET 1 1.393 18.024 1.435 3 H3 MET 1 H3 MET 1 1.372 16.643 0.468 4 HA MET 1 HA MET 1 -0.299 17.130 2.867 5 HB2 MET 1 HB2 MET 1 -1.012 18.524 0.991 6 HB3 MET 1 HB3 MET 1 -1.006 17.140 -0.095 7 HG2 MET 1 HG2 MET 1 -3.287 17.882 0.660 8 HG3 MET 1 HG3 MET 1 -2.927 16.185 0.986 9 HE1 MET 1 HE1 MET 1 -5.380 17.344 2.494 10 HE2 MET 1 HE2 MET 1 -5.039 16.831 4.149 11 HE3 MET 1 HE3 MET 1 -4.700 15.749 2.798 12 H ASP 2 H ASP 2 0.867 14.880 0.486 13 HA ASP 2 HA ASP 2 -0.895 12.794 0.442 14 HB2 ASP 2 HB2 ASP 2 1.119 11.355 -0.055 15 HB3 ASP 2 HB3 ASP 2 1.012 12.831 -0.998 16 H LYS 3 H LYS 3 1.570 13.324 2.951 17 HA LYS 3 HA LYS 3 1.372 10.930 4.388 18 HB2 LYS 3 HB2 LYS 3 3.124 12.701 4.603 19 HB3 LYS 3 HB3 LYS 3 1.967 13.715 5.453 20 HG2 LYS 3 HG2 LYS 3 1.882 12.129 7.311 21 HG3 LYS 3 HG3 LYS 3 2.940 11.011 6.441 22 HD2 LYS 3 HD2 LYS 3 3.692 13.809 7.388 23 HD3 LYS 3 HD3 LYS 3 4.194 12.296 8.148 24 HE2 LYS 3 HE2 LYS 3 5.445 11.682 6.091 25 HE3 LYS 3 HE3 LYS 3 4.924 13.185 5.326 26 HZ1 LYS 3 HZ1 LYS 3 6.581 13.008 7.773 27 HZ2 LYS 3 HZ2 LYS 3 6.148 14.423 6.954 28 HZ3 LYS 3 HZ3 LYS 3 7.168 13.299 6.218 29 H LYS 4 H LYS 4 -0.614 13.855 4.613 30 HA LYS 4 HA LYS 4 -2.209 12.980 6.865 31 HB2 LYS 4 HB2 LYS 4 -2.763 15.205 4.855 32 HB3 LYS 4 HB3 LYS 4 -3.597 14.970 6.394 33 HG2 LYS 4 HG2 LYS 4 -1.434 15.355 7.576 34 HG3 LYS 4 HG3 LYS 4 -0.669 15.686 6.014 35 HD2 LYS 4 HD2 LYS 4 -2.183 17.615 5.677 36 HD3 LYS 4 HD3 LYS 4 -2.987 17.267 7.212 37 HE2 LYS 4 HE2 LYS 4 -0.811 17.656 8.386 38 HE3 LYS 4 HE3 LYS 4 -0.092 18.112 6.839 39 HZ1 LYS 4 HZ1 LYS 4 -2.358 19.485 8.178 40 HZ2 LYS 4 HZ2 LYS 4 -1.676 19.931 6.696 41 HZ3 LYS 4 HZ3 LYS 4 -0.761 20.034 8.111 42 H ILE 5 H ILE 5 -2.534 12.965 3.338 43 HA ILE 5 HA ILE 5 -5.222 12.122 3.101 44 HB ILE 5 HB ILE 5 -2.885 11.637 1.194 45 HG12 ILE 5 HG12 ILE 5 -4.992 13.852 1.183 46 HG13 ILE 5 HG13 ILE 5 -3.311 14.053 1.666 47 HG21 ILE 5 HG21 ILE 5 -5.867 11.444 0.620 48 HG22 ILE 5 HG22 ILE 5 -4.732 10.095 0.681 49 HG23 ILE 5 HG23 ILE 5 -4.581 11.314 -0.583 50 HD11 ILE 5 HD11 ILE 5 -4.299 13.352 -1.101 51 HD12 ILE 5 HD12 ILE 5 -2.605 13.513 -0.628 52 HD13 ILE 5 HD13 ILE 5 -3.676 14.912 -0.561 53 H VAL 6 H VAL 6 -2.191 10.199 3.187 54 HA VAL 6 HA VAL 6 -3.421 7.656 2.814 55 HB VAL 6 HB VAL 6 -1.260 6.639 3.338 56 HG11 VAL 6 HG11 VAL 6 0.163 7.779 1.684 57 HG12 VAL 6 HG12 VAL 6 -0.876 9.204 1.752 58 HG13 VAL 6 HG13 VAL 6 -1.510 7.678 1.130 59 HG21 VAL 6 HG21 VAL 6 -0.607 7.944 5.336 60 HG22 VAL 6 HG22 VAL 6 -0.341 9.376 4.341 61 HG23 VAL 6 HG23 VAL 6 0.694 7.959 4.140 62 H GLY 7 H GLY 7 -2.661 9.578 5.673 63 HA2 GLY 7 HA2 GLY 7 -3.242 7.675 7.691 64 HA3 GLY 7 HA3 GLY 7 -3.342 9.421 7.857 65 H ALA 8 H ALA 8 -5.297 10.185 6.187 66 HA ALA 8 HA ALA 8 -7.690 9.674 7.574 67 HB1 ALA 8 HB1 ALA 8 -7.357 10.859 4.794 68 HB2 ALA 8 HB2 ALA 8 -7.271 11.749 6.314 69 HB3 ALA 8 HB3 ALA 8 -8.792 11.005 5.820 70 H ASN 9 H ASN 9 -6.650 8.497 4.355 71 HA ASN 9 HA ASN 9 -8.960 6.964 3.741 72 HB2 ASN 9 HB2 ASN 9 -6.116 6.729 2.670 73 HB3 ASN 9 HB3 ASN 9 -7.505 5.884 1.986 74 HD21 ASN 9 HD21 ASN 9 -5.761 7.790 0.705 75 HD22 ASN 9 HD22 ASN 9 -6.763 9.088 0.171 76 H ALA 10 H ALA 10 -6.094 6.221 5.634 77 HA ALA 10 HA ALA 10 -6.331 3.347 5.539 78 HB1 ALA 10 HB1 ALA 10 -4.183 4.483 5.933 79 HB2 ALA 10 HB2 ALA 10 -4.578 3.379 7.253 80 HB3 ALA 10 HB3 ALA 10 -4.788 5.123 7.463 81 H GLY 11 H GLY 11 -7.139 5.873 7.949 82 HA2 GLY 11 HA2 GLY 11 -8.295 4.207 9.930 83 HA3 GLY 11 HA3 GLY 11 -8.685 5.905 9.671 84 H LYS 12 H LYS 12 -9.610 5.723 7.031 85 HA LYS 12 HA LYS 12 -12.332 5.125 7.311 86 HB2 LYS 12 HB2 LYS 12 -11.396 6.767 5.713 87 HB3 LYS 12 HB3 LYS 12 -10.700 5.456 4.762 88 HG2 LYS 12 HG2 LYS 12 -12.919 4.627 4.204 89 HG3 LYS 12 HG3 LYS 12 -13.662 5.819 5.276 90 HD2 LYS 12 HD2 LYS 12 -12.660 7.630 3.799 91 HD3 LYS 12 HD3 LYS 12 -12.186 6.347 2.671 92 HE2 LYS 12 HE2 LYS 12 -14.322 7.396 2.016 93 HE3 LYS 12 HE3 LYS 12 -14.536 5.691 2.406 94 HZ1 LYS 12 HZ1 LYS 12 -16.289 6.991 3.371 95 HZ2 LYS 12 HZ2 LYS 12 -15.188 7.988 4.170 96 HZ3 LYS 12 HZ3 LYS 12 -15.326 6.364 4.610 97 H VAL 13 H VAL 13 -9.798 3.290 5.498 98 HA VAL 13 HA VAL 13 -11.543 1.160 4.745 99 HB VAL 13 HB VAL 13 -9.557 -0.102 4.015 100 HG11 VAL 13 HG11 VAL 13 -10.480 1.597 2.505 101 HG12 VAL 13 HG12 VAL 13 -8.729 1.498 2.312 102 HG13 VAL 13 HG13 VAL 13 -9.442 2.832 3.225 103 HG21 VAL 13 HG21 VAL 13 -7.892 2.124 5.246 104 HG22 VAL 13 HG22 VAL 13 -7.269 0.818 4.234 105 HG23 VAL 13 HG23 VAL 13 -7.971 0.453 5.811 106 H TRP 14 H TRP 14 -9.565 1.706 7.576 107 HA TRP 14 HA TRP 14 -9.787 -0.882 8.738 108 HB2 TRP 14 HB2 TRP 14 -8.123 0.961 9.385 109 HB3 TRP 14 HB3 TRP 14 -9.427 1.704 10.301 110 HD1 TRP 14 HD1 TRP 14 -7.241 -1.518 10.295 111 HE1 TRP 14 HE1 TRP 14 -7.276 -2.514 12.663 112 HE3 TRP 14 HE3 TRP 14 -10.645 1.606 12.405 113 HZ2 TRP 14 HZ2 TRP 14 -8.563 -2.018 15.132 114 HZ3 TRP 14 HZ3 TRP 14 -11.238 1.310 14.790 115 HH2 TRP 14 HH2 TRP 14 -10.214 -0.477 16.125 116 H HIS 15 H HIS 15 -11.916 1.988 8.873 117 HA HIS 15 HA HIS 15 -13.837 1.088 10.735 118 HB2 HIS 15 HB2 HIS 15 -14.083 2.903 8.312 119 HB3 HIS 15 HB3 HIS 15 -15.495 2.501 9.278 120 HD1 HIS 15 HD1 HIS 15 -15.152 3.113 11.945 121 HD2 HIS 15 HD2 HIS 15 -12.842 5.172 9.181 122 HE1 HIS 15 HE1 HIS 15 -14.383 5.182 13.129 123 HE2 HIS 15 HE2 HIS 15 -12.780 6.249 11.533 124 H ALA 16 H ALA 16 -13.461 0.296 7.295 125 HA ALA 16 HA ALA 16 -15.871 -1.226 7.000 126 HB1 ALA 16 HB1 ALA 16 -13.336 -1.286 5.338 127 HB2 ALA 16 HB2 ALA 16 -14.717 -0.220 5.080 128 HB3 ALA 16 HB3 ALA 16 -14.897 -1.963 4.866 129 H LEU 17 H LEU 17 -12.575 -2.047 7.976 130 HA LEU 17 HA LEU 17 -12.746 -4.891 7.922 131 HB2 LEU 17 HB2 LEU 17 -11.004 -3.016 9.558 132 HB3 LEU 17 HB3 LEU 17 -10.780 -4.761 9.524 133 HG LEU 17 HG LEU 17 -10.588 -3.010 7.037 134 HD11 LEU 17 HD11 LEU 17 -8.850 -2.352 8.650 135 HD12 LEU 17 HD12 LEU 17 -8.163 -3.149 7.233 136 HD13 LEU 17 HD13 LEU 17 -8.306 -4.033 8.757 137 HD21 LEU 17 HD21 LEU 17 -9.724 -5.885 7.543 138 HD22 LEU 17 HD22 LEU 17 -9.474 -4.979 6.045 139 HD23 LEU 17 HD23 LEU 17 -11.108 -5.367 6.573 140 H ASN 18 H ASN 18 -13.983 -2.543 10.176 141 HA ASN 18 HA ASN 18 -14.167 -4.102 12.536 142 HB2 ASN 18 HB2 ASN 18 -14.372 -1.605 12.447 143 HB3 ASN 18 HB3 ASN 18 -15.929 -1.778 11.643 144 HD21 ASN 18 HD21 ASN 18 -17.042 -0.708 13.275 145 HD22 ASN 18 HD22 ASN 18 -17.289 -1.385 14.844 146 H GLU 19 H GLU 19 -16.224 -3.910 9.657 147 HA GLU 19 HA GLU 19 -18.376 -5.555 10.668 148 HB2 GLU 19 HB2 GLU 19 -17.546 -4.828 7.827 149 HB3 GLU 19 HB3 GLU 19 -18.994 -5.750 8.229 150 HG2 GLU 19 HG2 GLU 19 -19.899 -3.812 9.447 151 HG3 GLU 19 HG3 GLU 19 -18.442 -2.883 9.052 152 H ALA 20 H ALA 20 -15.698 -6.091 8.344 153 HA ALA 20 HA ALA 20 -15.447 -8.907 9.045 154 HB1 ALA 20 HB1 ALA 20 -17.296 -8.950 7.409 155 HB2 ALA 20 HB2 ALA 20 -15.857 -9.733 6.752 156 HB3 ALA 20 HB3 ALA 20 -16.290 -8.099 6.236 157 H ASP 21 H ASP 21 -13.293 -8.840 9.430 158 HA ASP 21 HA ASP 21 -11.430 -7.653 7.490 159 HB2 ASP 21 HB2 ASP 21 -9.690 -8.120 9.223 160 HB3 ASP 21 HB3 ASP 21 -10.985 -7.083 9.804 161 H GLY 22 H GLY 22 -9.368 -9.034 7.099 162 HA2 GLY 22 HA2 GLY 22 -8.481 -10.875 5.995 163 HA3 GLY 22 HA3 GLY 22 -9.851 -11.843 6.530 164 H ILE 23 H ILE 23 -10.288 -8.809 4.916 165 HA ILE 23 HA ILE 23 -11.600 -10.084 2.613 166 HB ILE 23 HB ILE 23 -12.857 -8.423 3.983 167 HG12 ILE 23 HG12 ILE 23 -12.334 -7.390 1.160 168 HG13 ILE 23 HG13 ILE 23 -13.431 -8.706 1.566 169 HG21 ILE 23 HG21 ILE 23 -10.988 -6.987 4.690 170 HG22 ILE 23 HG22 ILE 23 -12.286 -6.027 3.977 171 HG23 ILE 23 HG23 ILE 23 -10.826 -6.367 3.044 172 HD11 ILE 23 HD11 ILE 23 -14.811 -7.130 2.854 173 HD12 ILE 23 HD12 ILE 23 -14.646 -6.666 1.161 174 HD13 ILE 23 HD13 ILE 23 -13.716 -5.821 2.397 175 H SER 24 H SER 24 -11.085 -9.378 0.399 176 HA SER 24 HA SER 24 -8.282 -8.727 -0.017 177 HB2 SER 24 HB2 SER 24 -10.543 -9.213 -1.996 178 HB3 SER 24 HB3 SER 24 -8.858 -8.922 -2.465 179 HG SER 24 HG SER 24 -8.379 -10.773 -1.032 180 H ILE 25 H ILE 25 -7.555 -7.019 -1.453 181 HA ILE 25 HA ILE 25 -8.140 -4.523 -0.366 182 HB ILE 25 HB ILE 25 -6.599 -5.190 -2.905 183 HG12 ILE 25 HG12 ILE 25 -5.598 -4.624 -0.070 184 HG13 ILE 25 HG13 ILE 25 -5.714 -6.219 -0.800 185 HG21 ILE 25 HG21 ILE 25 -6.620 -2.559 -1.375 186 HG22 ILE 25 HG22 ILE 25 -7.259 -2.831 -2.998 187 HG23 ILE 25 HG23 ILE 25 -5.529 -2.966 -2.703 188 HD11 ILE 25 HD11 ILE 25 -3.430 -5.421 -0.807 189 HD12 ILE 25 HD12 ILE 25 -3.898 -3.983 -1.712 190 HD13 ILE 25 HD13 ILE 25 -4.022 -5.578 -2.461 191 HA PRO 26 HA PRO 26 -10.437 -3.117 -4.442 192 HB2 PRO 26 HB2 PRO 26 -11.565 -4.990 -6.114 193 HB3 PRO 26 HB3 PRO 26 -9.913 -4.390 -6.322 194 HG2 PRO 26 HG2 PRO 26 -10.846 -6.916 -4.945 195 HG3 PRO 26 HG3 PRO 26 -9.545 -6.717 -6.140 196 HD2 PRO 26 HD2 PRO 26 -8.992 -6.866 -3.499 197 HD3 PRO 26 HD3 PRO 26 -8.063 -5.789 -4.567 198 H GLU 27 H GLU 27 -11.585 -5.866 -2.596 199 HA GLU 27 HA GLU 27 -14.434 -5.388 -2.890 200 HB2 GLU 27 HB2 GLU 27 -12.973 -6.998 -0.750 201 HB3 GLU 27 HB3 GLU 27 -14.677 -7.139 -1.202 202 HG2 GLU 27 HG2 GLU 27 -13.903 -7.929 -3.477 203 HG3 GLU 27 HG3 GLU 27 -12.259 -7.963 -2.834 204 H LEU 28 H LEU 28 -12.006 -4.975 -0.418 205 HA LEU 28 HA LEU 28 -13.329 -3.537 1.573 206 HB2 LEU 28 HB2 LEU 28 -11.150 -4.650 1.769 207 HB3 LEU 28 HB3 LEU 28 -10.454 -3.548 0.592 208 HG LEU 28 HG LEU 28 -10.729 -1.677 2.205 209 HD11 LEU 28 HD11 LEU 28 -12.624 -2.506 3.516 210 HD12 LEU 28 HD12 LEU 28 -11.258 -2.133 4.563 211 HD13 LEU 28 HD13 LEU 28 -11.629 -3.813 4.168 212 HD21 LEU 28 HD21 LEU 28 -8.879 -2.361 3.675 213 HD22 LEU 28 HD22 LEU 28 -8.617 -2.890 2.011 214 HD23 LEU 28 HD23 LEU 28 -9.148 -4.052 3.232 215 H ALA 29 H ALA 29 -11.593 -2.439 -1.323 216 HA ALA 29 HA ALA 29 -11.817 0.353 -1.087 217 HB1 ALA 29 HB1 ALA 29 -11.363 0.415 -3.500 218 HB2 ALA 29 HB2 ALA 29 -11.744 -1.306 -3.633 219 HB3 ALA 29 HB3 ALA 29 -10.335 -0.781 -2.708 220 H ARG 30 H ARG 30 -14.057 -2.041 -2.431 221 HA ARG 30 HA ARG 30 -15.994 -0.294 -3.541 222 HB2 ARG 30 HB2 ARG 30 -15.882 -2.676 -4.146 223 HB3 ARG 30 HB3 ARG 30 -16.269 -3.140 -2.493 224 HG2 ARG 30 HG2 ARG 30 -18.512 -2.076 -2.746 225 HG3 ARG 30 HG3 ARG 30 -18.120 -1.704 -4.429 226 HD2 ARG 30 HD2 ARG 30 -18.237 -4.498 -3.233 227 HD3 ARG 30 HD3 ARG 30 -19.524 -3.747 -4.184 228 HE ARG 30 HE ARG 30 -17.256 -3.626 -5.754 229 HH11 ARG 30 HH11 ARG 30 -19.048 -6.199 -4.305 230 HH12 ARG 30 HH12 ARG 30 -18.725 -7.286 -5.604 231 HH21 ARG 30 HH21 ARG 30 -16.849 -5.033 -7.383 232 HH22 ARG 30 HH22 ARG 30 -17.491 -6.635 -7.323 233 H LYS 31 H LYS 31 -15.676 -1.747 -0.296 234 HA LYS 31 HA LYS 31 -18.136 -0.868 0.811 235 HB2 LYS 31 HB2 LYS 31 -15.509 -1.454 2.247 236 HB3 LYS 31 HB3 LYS 31 -17.087 -1.317 3.024 237 HG2 LYS 31 HG2 LYS 31 -17.865 -3.283 1.675 238 HG3 LYS 31 HG3 LYS 31 -16.228 -3.444 1.033 239 HD2 LYS 31 HD2 LYS 31 -16.567 -5.032 2.862 240 HD3 LYS 31 HD3 LYS 31 -15.370 -3.826 3.338 241 HE2 LYS 31 HE2 LYS 31 -16.916 -4.306 5.193 242 HE3 LYS 31 HE3 LYS 31 -17.106 -2.639 4.659 243 HZ1 LYS 31 HZ1 LYS 31 -19.233 -3.654 5.047 244 HZ2 LYS 31 HZ2 LYS 31 -18.881 -4.916 3.980 245 HZ3 LYS 31 HZ3 LYS 31 -19.062 -3.344 3.393 246 H VAL 32 H VAL 32 -14.928 0.668 0.688 247 HA VAL 32 HA VAL 32 -15.859 3.023 2.198 248 HB VAL 32 HB VAL 32 -13.490 3.696 2.281 249 HG11 VAL 32 HG11 VAL 32 -12.669 1.862 3.715 250 HG12 VAL 32 HG12 VAL 32 -13.908 0.784 3.073 251 HG13 VAL 32 HG13 VAL 32 -14.373 2.195 4.029 252 HG21 VAL 32 HG21 VAL 32 -11.693 2.228 1.388 253 HG22 VAL 32 HG22 VAL 32 -12.728 2.829 0.092 254 HG23 VAL 32 HG23 VAL 32 -12.911 1.171 0.664 255 H ASN 33 H ASN 33 -15.803 2.124 -1.017 256 HA ASN 33 HA ASN 33 -16.288 3.183 -2.947 257 HB2 ASN 33 HB2 ASN 33 -17.839 4.527 -1.461 258 HB3 ASN 33 HB3 ASN 33 -16.579 5.740 -1.303 259 HD21 ASN 33 HD21 ASN 33 -17.748 7.387 -2.256 260 HD22 ASN 33 HD22 ASN 33 -18.196 7.392 -3.921 261 H LEU 34 H LEU 34 -13.421 3.321 -1.629 262 HA LEU 34 HA LEU 34 -12.187 5.479 -3.221 263 HB2 LEU 34 HB2 LEU 34 -10.853 3.498 -1.321 264 HB3 LEU 34 HB3 LEU 34 -10.076 4.874 -2.089 265 HG LEU 34 HG LEU 34 -12.300 5.047 -0.009 266 HD11 LEU 34 HD11 LEU 34 -10.568 5.918 1.505 267 HD12 LEU 34 HD12 LEU 34 -9.332 5.632 0.276 268 HD13 LEU 34 HD13 LEU 34 -10.209 4.272 0.983 269 HD21 LEU 34 HD21 LEU 34 -11.850 7.480 0.012 270 HD22 LEU 34 HD22 LEU 34 -12.425 6.937 -1.560 271 HD23 LEU 34 HD23 LEU 34 -10.711 7.283 -1.326 272 H SER 35 H SER 35 -10.251 4.961 -4.566 273 HA SER 35 HA SER 35 -10.520 2.818 -6.393 274 HB2 SER 35 HB2 SER 35 -9.285 4.782 -7.079 275 HB3 SER 35 HB3 SER 35 -8.150 4.618 -5.744 276 HG SER 35 HG SER 35 -7.623 3.830 -8.029 277 H VAL 36 H VAL 36 -9.230 0.938 -6.712 278 HA VAL 36 HA VAL 36 -8.575 -0.714 -4.551 279 HB VAL 36 HB VAL 36 -7.383 -0.825 -7.364 280 HG11 VAL 36 HG11 VAL 36 -7.617 -3.042 -5.281 281 HG12 VAL 36 HG12 VAL 36 -6.124 -2.266 -5.820 282 HG13 VAL 36 HG13 VAL 36 -7.055 -3.254 -6.944 283 HG21 VAL 36 HG21 VAL 36 -9.836 -0.796 -7.467 284 HG22 VAL 36 HG22 VAL 36 -9.920 -2.138 -6.324 285 HG23 VAL 36 HG23 VAL 36 -9.218 -2.387 -7.922 286 H GLU 37 H GLU 37 -6.446 1.221 -6.625 287 HA GLU 37 HA GLU 37 -3.954 0.736 -5.392 288 HB2 GLU 37 HB2 GLU 37 -4.904 3.198 -6.913 289 HB3 GLU 37 HB3 GLU 37 -3.218 2.767 -6.621 290 HG2 GLU 37 HG2 GLU 37 -3.357 0.859 -8.061 291 HG3 GLU 37 HG3 GLU 37 -5.115 0.966 -8.150 292 H SER 38 H SER 38 -6.365 3.297 -4.828 293 HA SER 38 HA SER 38 -4.951 4.803 -2.879 294 HB2 SER 38 HB2 SER 38 -7.938 4.612 -3.411 295 HB3 SER 38 HB3 SER 38 -7.191 5.806 -2.340 296 HG SER 38 HG SER 38 -7.563 6.540 -4.521 297 H THR 39 H THR 39 -6.955 1.961 -2.640 298 HA THR 39 HA THR 39 -7.214 2.007 0.248 299 HB THR 39 HB THR 39 -7.989 -0.080 -1.833 300 HG1 THR 39 HG1 THR 39 -9.487 1.428 -2.004 301 HG21 THR 39 HG21 THR 39 -7.596 -1.253 0.305 302 HG22 THR 39 HG22 THR 39 -9.322 -1.172 -0.049 303 HG23 THR 39 HG23 THR 39 -8.615 -0.084 1.147 304 H ALA 40 H ALA 40 -5.279 0.157 -2.138 305 HA ALA 40 HA ALA 40 -4.098 -1.768 -0.457 306 HB1 ALA 40 HB1 ALA 40 -2.918 -0.502 -2.964 307 HB2 ALA 40 HB2 ALA 40 -4.033 -1.870 -2.931 308 HB3 ALA 40 HB3 ALA 40 -2.417 -2.037 -2.244 309 H LEU 41 H LEU 41 -2.825 1.329 -1.544 310 HA LEU 41 HA LEU 41 -0.434 1.388 -0.027 311 HB2 LEU 41 HB2 LEU 41 -0.718 2.590 -2.117 312 HB3 LEU 41 HB3 LEU 41 -2.064 3.498 -1.488 313 HG LEU 41 HG LEU 41 0.226 4.689 -1.852 314 HD11 LEU 41 HD11 LEU 41 -1.684 5.750 -0.786 315 HD12 LEU 41 HD12 LEU 41 -0.167 6.246 -0.045 316 HD13 LEU 41 HD13 LEU 41 -1.208 5.079 0.776 317 HD21 LEU 41 HD21 LEU 41 0.849 3.449 0.848 318 HD22 LEU 41 HD22 LEU 41 1.809 4.663 -0.005 319 HD23 LEU 41 HD23 LEU 41 1.644 3.041 -0.678 320 H ALA 42 H ALA 42 -3.738 2.464 0.687 321 HA ALA 42 HA ALA 42 -3.174 3.918 3.096 322 HB1 ALA 42 HB1 ALA 42 -5.787 2.653 2.199 323 HB2 ALA 42 HB2 ALA 42 -5.234 4.281 1.796 324 HB3 ALA 42 HB3 ALA 42 -5.598 3.867 3.472 325 H VAL 43 H VAL 43 -4.110 0.532 2.457 326 HA VAL 43 HA VAL 43 -4.337 -0.334 5.149 327 HB VAL 43 HB VAL 43 -3.715 -1.923 2.616 328 HG11 VAL 43 HG11 VAL 43 -4.444 -3.006 5.370 329 HG12 VAL 43 HG12 VAL 43 -2.888 -3.198 4.558 330 HG13 VAL 43 HG13 VAL 43 -4.331 -3.964 3.892 331 HG21 VAL 43 HG21 VAL 43 -5.948 -0.846 2.626 332 HG22 VAL 43 HG22 VAL 43 -6.321 -1.613 4.170 333 HG23 VAL 43 HG23 VAL 43 -6.092 -2.602 2.726 334 H GLY 44 H GLY 44 -1.567 -0.021 2.964 335 HA2 GLY 44 HA2 GLY 44 0.478 -1.194 4.483 336 HA3 GLY 44 HA3 GLY 44 0.681 0.173 3.398 337 H TRP 45 H TRP 45 -1.077 1.981 4.857 338 HA TRP 45 HA TRP 45 0.672 2.995 6.905 339 HB2 TRP 45 HB2 TRP 45 -0.692 4.509 5.490 340 HB3 TRP 45 HB3 TRP 45 -2.165 3.842 6.178 341 HD1 TRP 45 HD1 TRP 45 -2.978 4.865 8.503 342 HE1 TRP 45 HE1 TRP 45 -2.171 6.805 9.968 343 HE3 TRP 45 HE3 TRP 45 1.551 5.688 6.320 344 HZ2 TRP 45 HZ2 TRP 45 0.078 8.483 10.177 345 HZ3 TRP 45 HZ3 TRP 45 2.987 7.490 7.207 346 HH2 TRP 45 HH2 TRP 45 2.264 8.859 9.105 347 H LEU 46 H LEU 46 -2.297 1.043 6.935 348 HA LEU 46 HA LEU 46 -2.693 1.062 9.780 349 HB2 LEU 46 HB2 LEU 46 -3.588 -0.940 7.673 350 HB3 LEU 46 HB3 LEU 46 -4.104 -0.979 9.355 351 HG LEU 46 HG LEU 46 -4.711 1.232 7.355 352 HD11 LEU 46 HD11 LEU 46 -5.995 -0.808 6.929 353 HD12 LEU 46 HD12 LEU 46 -7.039 0.473 7.543 354 HD13 LEU 46 HD13 LEU 46 -6.542 -0.842 8.612 355 HD21 LEU 46 HD21 LEU 46 -5.540 0.993 10.273 356 HD22 LEU 46 HD22 LEU 46 -6.118 2.214 9.136 357 HD23 LEU 46 HD23 LEU 46 -4.419 2.179 9.597 358 H ALA 47 H ALA 47 -0.953 -1.141 7.571 359 HA ALA 47 HA ALA 47 0.042 -2.987 9.467 360 HB1 ALA 47 HB1 ALA 47 1.730 -3.540 7.743 361 HB2 ALA 47 HB2 ALA 47 1.296 -2.079 6.847 362 HB3 ALA 47 HB3 ALA 47 0.120 -3.380 7.037 363 H ARG 48 H ARG 48 1.205 0.160 8.378 364 HA ARG 48 HA ARG 48 3.620 0.372 9.815 365 HB2 ARG 48 HB2 ARG 48 3.174 1.821 7.969 366 HB3 ARG 48 HB3 ARG 48 1.625 2.320 8.608 367 HG2 ARG 48 HG2 ARG 48 4.112 3.081 10.102 368 HG3 ARG 48 HG3 ARG 48 3.721 3.939 8.613 369 HD2 ARG 48 HD2 ARG 48 1.514 4.557 9.584 370 HD3 ARG 48 HD3 ARG 48 1.960 3.727 11.082 371 HE ARG 48 HE ARG 48 3.527 6.004 10.028 372 HH11 ARG 48 HH11 ARG 48 1.785 4.548 12.647 373 HH12 ARG 48 HH12 ARG 48 2.254 5.780 13.764 374 HH21 ARG 48 HH21 ARG 48 4.091 7.542 11.466 375 HH22 ARG 48 HH22 ARG 48 3.540 7.454 13.101 376 H GLU 49 H GLU 49 0.257 1.269 10.702 377 HA GLU 49 HA GLU 49 0.987 2.156 13.392 378 HB2 GLU 49 HB2 GLU 49 -1.740 1.861 12.065 379 HB3 GLU 49 HB3 GLU 49 -1.464 2.577 13.652 380 HG2 GLU 49 HG2 GLU 49 -0.131 4.367 12.621 381 HG3 GLU 49 HG3 GLU 49 -0.387 3.653 11.029 382 H ASN 50 H ASN 50 0.578 -0.843 12.079 383 HA ASN 50 HA ASN 50 0.391 -2.948 12.858 384 HB2 ASN 50 HB2 ASN 50 0.598 -1.692 15.632 385 HB3 ASN 50 HB3 ASN 50 0.847 -3.397 15.259 386 HD21 ASN 50 HD21 ASN 50 2.693 -1.428 16.440 387 HD22 ASN 50 HD22 ASN 50 4.088 -1.433 15.422 388 H LYS 51 H LYS 51 -2.060 -1.208 12.552 389 HA LYS 51 HA LYS 51 -4.060 -2.206 14.363 390 HB2 LYS 51 HB2 LYS 51 -4.214 -0.631 11.766 391 HB3 LYS 51 HB3 LYS 51 -5.645 -1.113 12.672 392 HG2 LYS 51 HG2 LYS 51 -4.779 0.174 14.636 393 HG3 LYS 51 HG3 LYS 51 -3.445 0.748 13.625 394 HD2 LYS 51 HD2 LYS 51 -5.003 1.880 12.123 395 HD3 LYS 51 HD3 LYS 51 -6.392 1.180 12.960 396 HE2 LYS 51 HE2 LYS 51 -6.072 3.528 13.588 397 HE3 LYS 51 HE3 LYS 51 -5.822 2.476 14.981 398 HZ1 LYS 51 HZ1 LYS 51 -4.162 4.218 14.834 399 HZ2 LYS 51 HZ2 LYS 51 -3.684 3.665 13.314 400 HZ3 LYS 51 HZ3 LYS 51 -3.452 2.691 14.676 401 H VAL 52 H VAL 52 -2.606 -3.447 11.489 402 HA VAL 52 HA VAL 52 -4.768 -5.444 11.153 403 HB VAL 52 HB VAL 52 -4.471 -5.488 8.706 404 HG11 VAL 52 HG11 VAL 52 -5.598 -3.364 8.146 405 HG12 VAL 52 HG12 VAL 52 -5.143 -2.702 9.717 406 HG13 VAL 52 HG13 VAL 52 -6.252 -4.072 9.626 407 HG21 VAL 52 HG21 VAL 52 -2.134 -4.726 8.518 408 HG22 VAL 52 HG22 VAL 52 -2.597 -3.110 9.049 409 HG23 VAL 52 HG23 VAL 52 -3.185 -3.730 7.505 410 H VAL 53 H VAL 53 -4.180 -7.459 10.347 411 HA VAL 53 HA VAL 53 -1.348 -8.266 10.661 412 HB VAL 53 HB VAL 53 -3.841 -10.044 10.637 413 HG11 VAL 53 HG11 VAL 53 -2.331 -11.815 11.501 414 HG12 VAL 53 HG12 VAL 53 -0.957 -10.715 11.375 415 HG13 VAL 53 HG13 VAL 53 -1.804 -11.240 9.917 416 HG21 VAL 53 HG21 VAL 53 -2.250 -9.077 13.054 417 HG22 VAL 53 HG22 VAL 53 -3.558 -10.262 13.097 418 HG23 VAL 53 HG23 VAL 53 -3.896 -8.593 12.631 419 H ILE 54 H ILE 54 -0.439 -8.009 8.627 420 HA ILE 54 HA ILE 54 -1.728 -8.613 6.140 421 HB ILE 54 HB ILE 54 1.274 -8.429 6.698 422 HG12 ILE 54 HG12 ILE 54 0.146 -6.347 7.443 423 HG13 ILE 54 HG13 ILE 54 1.157 -6.050 6.037 424 HG21 ILE 54 HG21 ILE 54 0.797 -9.471 4.522 425 HG22 ILE 54 HG22 ILE 54 1.498 -7.869 4.289 426 HG23 ILE 54 HG23 ILE 54 -0.237 -8.110 4.070 427 HD11 ILE 54 HD11 ILE 54 -1.847 -6.314 6.040 428 HD12 ILE 54 HD12 ILE 54 -0.841 -6.026 4.617 429 HD13 ILE 54 HD13 ILE 54 -0.917 -4.822 5.903 430 H GLU 55 H GLU 55 -2.085 -10.634 5.301 431 HA GLU 55 HA GLU 55 -0.304 -12.885 6.020 432 HB2 GLU 55 HB2 GLU 55 -2.910 -12.559 7.077 433 HB3 GLU 55 HB3 GLU 55 -3.142 -13.723 5.781 434 HG2 GLU 55 HG2 GLU 55 -1.077 -14.054 7.981 435 HG3 GLU 55 HG3 GLU 55 -2.725 -14.670 8.091 436 H ARG 56 H ARG 56 0.254 -14.148 4.330 437 HA ARG 56 HA ARG 56 -1.236 -13.901 1.772 438 HB2 ARG 56 HB2 ARG 56 1.748 -14.128 2.267 439 HB3 ARG 56 HB3 ARG 56 1.051 -14.630 0.728 440 HG2 ARG 56 HG2 ARG 56 0.105 -12.339 0.437 441 HG3 ARG 56 HG3 ARG 56 0.894 -11.846 1.938 442 HD2 ARG 56 HD2 ARG 56 3.084 -12.179 0.980 443 HD3 ARG 56 HD3 ARG 56 2.403 -12.960 -0.453 444 HE ARG 56 HE ARG 56 1.268 -10.491 -0.483 445 HH11 ARG 56 HH11 ARG 56 4.564 -11.510 -0.326 446 HH12 ARG 56 HH12 ARG 56 5.132 -10.144 -1.215 447 HH21 ARG 56 HH21 ARG 56 2.023 -8.769 -1.619 448 HH22 ARG 56 HH22 ARG 56 3.715 -8.607 -1.927 449 H LYS 57 H LYS 57 -1.686 -15.694 0.616 450 HA LYS 57 HA LYS 57 -0.950 -18.381 1.477 451 HB2 LYS 57 HB2 LYS 57 -3.429 -19.035 1.707 452 HB3 LYS 57 HB3 LYS 57 -2.734 -18.108 3.029 453 HG2 LYS 57 HG2 LYS 57 -4.010 -16.357 1.018 454 HG3 LYS 57 HG3 LYS 57 -5.146 -17.535 1.678 455 HD2 LYS 57 HD2 LYS 57 -3.418 -15.667 3.361 456 HD3 LYS 57 HD3 LYS 57 -5.100 -15.345 2.917 457 HE2 LYS 57 HE2 LYS 57 -5.818 -17.378 4.125 458 HE3 LYS 57 HE3 LYS 57 -4.141 -17.736 4.541 459 HZ1 LYS 57 HZ1 LYS 57 -4.048 -15.738 5.831 460 HZ2 LYS 57 HZ2 LYS 57 -5.357 -16.682 6.332 461 HZ3 LYS 57 HZ3 LYS 57 -5.625 -15.318 5.380 462 H ASN 58 H ASN 58 -0.557 -19.440 -0.379 463 HA ASN 58 HA ASN 58 -0.284 -19.871 -2.594 464 HB2 ASN 58 HB2 ASN 58 -3.312 -19.483 -2.598 465 HB3 ASN 58 HB3 ASN 58 -2.395 -20.292 -3.866 466 HD21 ASN 58 HD21 ASN 58 -3.470 -20.500 -0.556 467 HD22 ASN 58 HD22 ASN 58 -3.203 -22.192 -0.369 468 H GLY 59 H GLY 59 0.081 -17.104 -1.890 469 HA2 GLY 59 HA2 GLY 59 0.816 -15.262 -3.157 470 HA3 GLY 59 HA3 GLY 59 -0.174 -15.793 -4.503 471 H LEU 60 H LEU 60 -2.446 -16.004 -2.307 472 HA LEU 60 HA LEU 60 -3.643 -13.450 -2.973 473 HB2 LEU 60 HB2 LEU 60 -4.672 -15.860 -1.417 474 HB3 LEU 60 HB3 LEU 60 -5.611 -14.388 -1.601 475 HG LEU 60 HG LEU 60 -5.527 -14.727 -4.116 476 HD11 LEU 60 HD11 LEU 60 -4.993 -16.941 -5.019 477 HD12 LEU 60 HD12 LEU 60 -4.420 -17.464 -3.433 478 HD13 LEU 60 HD13 LEU 60 -3.576 -16.177 -4.298 479 HD21 LEU 60 HD21 LEU 60 -7.519 -15.309 -2.820 480 HD22 LEU 60 HD22 LEU 60 -6.878 -16.927 -2.522 481 HD23 LEU 60 HD23 LEU 60 -7.293 -16.427 -4.163 482 H ILE 61 H ILE 61 -4.029 -11.722 -1.637 483 HA ILE 61 HA ILE 61 -2.743 -11.714 1.030 484 HB ILE 61 HB ILE 61 -3.582 -9.336 -0.700 485 HG12 ILE 61 HG12 ILE 61 -0.800 -10.535 -0.277 486 HG13 ILE 61 HG13 ILE 61 -1.742 -10.644 -1.759 487 HG21 ILE 61 HG21 ILE 61 -2.220 -7.966 0.863 488 HG22 ILE 61 HG22 ILE 61 -1.907 -9.395 1.846 489 HG23 ILE 61 HG23 ILE 61 -3.550 -8.769 1.703 490 HD11 ILE 61 HD11 ILE 61 -0.609 -8.120 -0.554 491 HD12 ILE 61 HD12 ILE 61 -1.576 -8.209 -2.029 492 HD13 ILE 61 HD13 ILE 61 0.002 -8.991 -1.959 493 H GLU 62 H GLU 62 -4.019 -11.784 2.776 494 HA GLU 62 HA GLU 62 -6.677 -10.470 2.835 495 HB2 GLU 62 HB2 GLU 62 -5.767 -13.007 4.275 496 HB3 GLU 62 HB3 GLU 62 -7.223 -12.117 4.712 497 HG2 GLU 62 HG2 GLU 62 -8.129 -12.525 2.438 498 HG3 GLU 62 HG3 GLU 62 -6.690 -13.473 2.051 499 H ILE 63 H ILE 63 -6.694 -8.757 4.223 500 HA ILE 63 HA ILE 63 -4.618 -8.609 6.335 501 HB ILE 63 HB ILE 63 -4.684 -6.228 6.326 502 HG12 ILE 63 HG12 ILE 63 -7.154 -5.828 6.003 503 HG13 ILE 63 HG13 ILE 63 -6.158 -4.773 5.015 504 HG21 ILE 63 HG21 ILE 63 -3.332 -7.235 4.559 505 HG22 ILE 63 HG22 ILE 63 -3.986 -5.696 4.004 506 HG23 ILE 63 HG23 ILE 63 -4.703 -7.208 3.445 507 HD11 ILE 63 HD11 ILE 63 -7.641 -7.219 4.068 508 HD12 ILE 63 HD12 ILE 63 -6.655 -6.155 3.061 509 HD13 ILE 63 HD13 ILE 63 -8.118 -5.538 3.825 510 H TYR 64 H TYR 64 -5.282 -9.190 8.229 511 HA TYR 64 HA TYR 64 -8.094 -9.166 9.048 512 HB2 TYR 64 HB2 TYR 64 -5.609 -10.310 10.404 513 HB3 TYR 64 HB3 TYR 64 -7.267 -10.546 10.955 514 HD1 TYR 64 HD2 TYR 64 -8.867 -11.883 9.539 515 HD2 TYR 64 HD1 TYR 64 -4.703 -11.683 8.595 516 HE1 TYR 64 HE2 TYR 64 -9.098 -13.855 8.101 517 HE2 TYR 64 HE1 TYR 64 -4.944 -13.663 7.155 518 HH TYR 64 HH TYR 64 -7.910 -14.848 6.128 519 H ASN 65 H ASN 65 -8.471 -8.592 11.457 520 HA ASN 65 HA ASN 65 -7.189 -6.051 12.190 521 HB2 ASN 65 HB2 ASN 65 -9.531 -7.623 13.336 522 HB3 ASN 65 HB3 ASN 65 -8.875 -6.201 14.146 523 HD21 ASN 65 HD21 ASN 65 -11.516 -6.732 12.877 524 HD22 ASN 65 HD22 ASN 65 -11.741 -5.442 11.759 525 H GLU 66 H GLU 66 -6.017 -5.753 14.137 526 HA GLU 66 HA GLU 66 -4.870 -8.184 15.335 527 HB2 GLU 66 HB2 GLU 66 -3.810 -5.563 14.822 528 HB3 GLU 66 HB3 GLU 66 -3.855 -5.721 16.572 529 HG2 GLU 66 HG2 GLU 66 -2.484 -7.663 14.667 530 HG3 GLU 66 HG3 GLU 66 -1.673 -6.395 15.589 531 H GLY 67 H GLY 67 -4.496 -8.040 17.822 532 HA2 GLY 67 HA2 GLY 67 -5.550 -7.489 19.968 533 HA3 GLY 67 HA3 GLY 67 -7.108 -7.484 19.149 534 H HIS 68 H HIS 68 -5.001 -9.988 18.084 535 HA HIS 68 HA HIS 68 -6.090 -11.961 20.000 536 HB2 HIS 68 HB2 HIS 68 -6.700 -13.514 18.149 537 HB3 HIS 68 HB3 HIS 68 -7.645 -12.036 18.140 538 HD1 HIS 68 HD1 HIS 68 -6.112 -14.219 15.856 539 HD2 HIS 68 HD2 HIS 68 -6.320 -10.084 16.169 540 HE1 HIS 68 HE1 HIS 68 -5.710 -13.351 13.542 541 HE2 HIS 68 HE2 HIS 68 -6.125 -10.881 13.722 542 H PHE 69 H PHE 69 -3.357 -10.995 18.089 543 HA PHE 69 HA PHE 69 -1.939 -13.534 18.404 544 HB2 PHE 69 HB2 PHE 69 -1.167 -10.826 17.276 545 HB3 PHE 69 HB3 PHE 69 0.076 -12.019 17.635 546 HD1 PHE 69 HD1 PHE 69 -2.968 -11.403 15.563 547 HD2 PHE 69 HD2 PHE 69 0.473 -13.872 16.179 548 HE1 PHE 69 HE1 PHE 69 -3.351 -12.502 13.397 549 HE2 PHE 69 HE2 PHE 69 0.076 -14.957 14.011 550 HZ PHE 69 HZ PHE 69 -1.837 -14.275 12.621 551 H ASP 70 H ASP 70 -1.173 -14.136 20.309 552 HA ASP 70 HA ASP 70 -0.036 -12.154 22.202 553 HB2 ASP 70 HB2 ASP 70 -1.296 -14.857 22.831 554 HB3 ASP 70 HB3 ASP 70 -0.598 -13.748 24.013 555 H PHE 71 H PHE 71 1.768 -12.841 23.463 556 HA PHE 71 HA PHE 71 3.352 -15.176 22.695 557 HB2 PHE 71 HB2 PHE 71 3.886 -13.374 20.990 558 HB3 PHE 71 HB3 PHE 71 4.436 -12.336 22.297 559 HD1 PHE 71 HD2 PHE 71 5.068 -15.840 21.035 560 HD2 PHE 71 HD1 PHE 71 6.772 -12.225 22.574 561 HE1 PHE 71 HE2 PHE 71 7.324 -16.790 20.792 562 HE2 PHE 71 HE1 PHE 71 9.022 -13.190 22.328 563 HZ PHE 71 HZ PHE 71 9.298 -15.468 21.439 564 H SER 72 H SER 72 2.011 -13.654 25.056 565 HA SER 72 HA SER 72 4.263 -13.019 26.837 566 HB2 SER 72 HB2 SER 72 2.371 -11.419 26.623 567 HB3 SER 72 HB3 SER 72 1.262 -12.647 27.231 568 HG SER 72 HG SER 72 1.839 -11.352 28.929 569 H PHE 73 H PHE 73 4.447 -13.941 28.961 570 HA PHE 73 HA PHE 73 3.854 -16.749 29.156 571 HB2 PHE 73 HB2 PHE 73 5.038 -14.845 31.228 572 HB3 PHE 73 HB3 PHE 73 4.989 -16.600 31.379 573 HD1 PHE 73 HD1 PHE 73 6.286 -18.020 29.699 574 HD2 PHE 73 HD2 PHE 73 6.814 -13.783 29.993 575 HE1 PHE 73 HE1 PHE 73 8.433 -18.199 28.521 576 HE2 PHE 73 HE2 PHE 73 8.962 -13.978 28.816 577 HZ PHE 73 HZ PHE 73 9.778 -16.181 28.075 578 H GLY 74 H GLY 74 1.675 -17.166 29.331 579 HA2 GLY 74 HA2 GLY 74 -0.104 -15.600 31.014 580 HA3 GLY 74 HA3 GLY 74 -0.538 -16.943 29.972 581 H LEU 75 H LEU 75 1.008 -16.179 33.103 582 HA LEU 75 HA LEU 75 -0.340 -18.570 34.229 583 HB2 LEU 75 HB2 LEU 75 1.388 -18.800 35.944 584 HB3 LEU 75 HB3 LEU 75 2.045 -19.023 34.338 585 HG LEU 75 HG LEU 75 2.383 -16.407 35.867 586 HD11 LEU 75 HD11 LEU 75 4.607 -17.156 36.563 587 HD12 LEU 75 HD12 LEU 75 4.316 -18.749 35.859 588 HD13 LEU 75 HD13 LEU 75 3.353 -18.200 37.234 589 HD21 LEU 75 HD21 LEU 75 4.292 -16.042 34.344 590 HD22 LEU 75 HD22 LEU 75 2.790 -16.243 33.448 591 HD23 LEU 75 HD23 LEU 75 3.948 -17.572 33.528 592 H GLU 76 H GLU 76 -1.712 -18.235 35.815 593 HA GLU 76 HA GLU 76 -2.675 -15.627 36.389 594 HB2 GLU 76 HB2 GLU 76 -4.344 -16.801 37.792 595 HB3 GLU 76 HB3 GLU 76 -4.157 -17.561 36.214 596 HG2 GLU 76 HG2 GLU 76 -2.722 -19.309 37.224 597 HG3 GLU 76 HG3 GLU 76 -2.924 -18.560 38.806 598 H HIS 77 H HIS 77 -0.537 -17.778 38.164 599 HA HIS 77 HA HIS 77 -0.741 -16.291 40.676 600 HB2 HIS 77 HB2 HIS 77 0.863 -18.769 39.907 601 HB3 HIS 77 HB3 HIS 77 0.886 -18.040 41.511 602 HD1 HIS 77 HD1 HIS 77 -0.904 -20.508 39.551 603 HD2 HIS 77 HD2 HIS 77 -1.809 -18.010 42.743 604 HE1 HIS 77 HE1 HIS 77 -2.976 -21.463 40.583 605 HE2 HIS 77 HE2 HIS 77 -3.353 -20.079 42.640 606 H HIS 78 H HIS 78 1.640 -16.169 41.781 607 HA HIS 78 HA HIS 78 2.650 -13.755 40.789 608 HB2 HIS 78 HB2 HIS 78 3.852 -15.629 42.861 609 HB3 HIS 78 HB3 HIS 78 4.419 -13.991 42.570 610 HD1 HIS 78 HD1 HIS 78 2.198 -15.827 44.691 611 HD2 HIS 78 HD2 HIS 78 2.218 -12.009 43.058 612 HE1 HIS 78 HE1 HIS 78 0.630 -14.485 46.112 613 HE2 HIS 78 HE2 HIS 78 0.541 -12.231 45.013 614 H HIS 79 H HIS 79 3.313 -14.096 38.630 615 HA HIS 79 HA HIS 79 5.846 -15.361 38.030 616 HB2 HIS 79 HB2 HIS 79 5.667 -13.677 35.967 617 HB3 HIS 79 HB3 HIS 79 4.612 -15.076 36.055 618 HD1 HIS 79 HD1 HIS 79 2.107 -14.664 36.349 619 HD2 HIS 79 HD2 HIS 79 4.346 -11.162 36.372 620 HE1 HIS 79 HE1 HIS 79 0.446 -12.808 36.186 621 HE2 HIS 79 HE2 HIS 79 1.801 -10.703 36.361 622 H HIS 80 H HIS 80 7.348 -14.707 39.490 623 HA HIS 80 HA HIS 80 7.345 -12.250 40.870 624 HB2 HIS 80 HB2 HIS 80 9.633 -14.258 40.669 625 HB3 HIS 80 HB3 HIS 80 9.424 -13.043 41.927 626 HD1 HIS 80 HD1 HIS 80 8.521 -16.475 41.031 627 HD2 HIS 80 HD2 HIS 80 7.156 -13.593 43.693 628 HE1 HIS 80 HE1 HIS 80 7.076 -17.709 42.662 629 HE2 HIS 80 HE2 HIS 80 6.355 -15.973 44.327 630 H HIS 81 H HIS 81 7.500 -10.481 39.537 631 HA HIS 81 HA HIS 81 8.516 -8.649 38.750 632 HB2 HIS 81 HB2 HIS 81 10.370 -9.085 40.300 633 HB3 HIS 81 HB3 HIS 81 11.137 -10.146 39.129 634 HD1 HIS 81 HD1 HIS 81 12.834 -9.088 37.677 635 HD2 HIS 81 HD2 HIS 81 10.274 -6.269 39.324 636 HE1 HIS 81 HE1 HIS 81 13.734 -6.871 36.953 637 HE2 HIS 81 HE2 HIS 81 12.275 -5.180 38.101 638 H HIS 82 H HIS 82 8.895 -11.649 37.092 639 HA HIS 82 HA HIS 82 9.131 -12.323 34.958 640 HB2 HIS 82 HB2 HIS 82 7.112 -10.995 34.587 641 HB3 HIS 82 HB3 HIS 82 8.057 -9.524 34.404 642 HD1 HIS 82 HD1 HIS 82 8.678 -8.907 32.071 643 HD2 HIS 82 HD2 HIS 82 7.549 -12.897 32.360 644 HE1 HIS 82 HE1 HIS 82 8.635 -9.760 29.718 645 HE2 HIS 82 HE2 HIS 82 8.108 -12.198 29.927 646 H1 MET 1 H MET 1 4.810 -17.435 8.284 647 HA MET 1 HA MET 1 4.657 -15.425 7.243 648 HB2 MET 1 HB2 MET 1 2.227 -15.821 7.292 649 HB3 MET 1 HB3 MET 1 2.117 -15.135 8.908 650 HG2 MET 1 HG2 MET 1 1.328 -13.586 7.139 651 HG3 MET 1 HG3 MET 1 2.688 -12.928 8.054 652 HE1 MET 1 HE1 MET 1 3.365 -11.471 4.465 653 HE2 MET 1 HE2 MET 1 3.040 -11.095 6.156 654 HE3 MET 1 HE3 MET 1 1.758 -11.751 5.134 655 H ASP 2 H ASP 2 5.675 -13.500 7.522 656 HA ASP 2 HA ASP 2 5.902 -12.270 10.214 657 HB2 ASP 2 HB2 ASP 2 8.041 -12.560 8.056 658 HB3 ASP 2 HB3 ASP 2 8.210 -11.486 9.443 659 H LYS 3 H LYS 3 5.953 -9.967 10.284 660 HA LYS 3 HA LYS 3 4.672 -8.570 8.080 661 HB2 LYS 3 HB2 LYS 3 4.073 -7.999 10.410 662 HB3 LYS 3 HB3 LYS 3 5.733 -7.507 10.738 663 HG2 LYS 3 HG2 LYS 3 5.519 -5.656 9.111 664 HG3 LYS 3 HG3 LYS 3 3.871 -6.162 8.738 665 HD2 LYS 3 HD2 LYS 3 4.799 -5.244 11.489 666 HD3 LYS 3 HD3 LYS 3 4.046 -4.184 10.294 667 HE2 LYS 3 HE2 LYS 3 2.000 -5.595 10.353 668 HE3 LYS 3 HE3 LYS 3 2.760 -6.628 11.570 669 HZ1 LYS 3 HZ1 LYS 3 1.292 -5.008 12.569 670 HZ2 LYS 3 HZ2 LYS 3 2.171 -3.736 11.876 671 HZ3 LYS 3 HZ3 LYS 3 2.892 -4.731 13.039 672 H LYS 4 H LYS 4 7.933 -8.840 9.421 673 HA LYS 4 HA LYS 4 9.168 -6.649 8.146 674 HB2 LYS 4 HB2 LYS 4 11.325 -7.788 8.580 675 HB3 LYS 4 HB3 LYS 4 10.279 -7.724 9.991 676 HG2 LYS 4 HG2 LYS 4 9.729 -10.072 9.777 677 HG3 LYS 4 HG3 LYS 4 10.577 -10.183 8.228 678 HD2 LYS 4 HD2 LYS 4 12.723 -9.750 9.330 679 HD3 LYS 4 HD3 LYS 4 11.913 -9.488 10.878 680 HE2 LYS 4 HE2 LYS 4 11.893 -12.120 9.359 681 HE3 LYS 4 HE3 LYS 4 13.001 -11.726 10.675 682 HZ1 LYS 4 HZ1 LYS 4 11.125 -13.007 11.452 683 HZ2 LYS 4 HZ2 LYS 4 10.045 -11.844 10.883 684 HZ3 LYS 4 HZ3 LYS 4 11.105 -11.466 12.139 685 H ILE 5 H ILE 5 8.062 -9.559 6.686 686 HA ILE 5 HA ILE 5 9.677 -9.872 4.429 687 HB ILE 5 HB ILE 5 6.642 -10.161 4.597 688 HG12 ILE 5 HG12 ILE 5 8.824 -12.270 4.967 689 HG13 ILE 5 HG13 ILE 5 7.877 -11.554 6.266 690 HG21 ILE 5 HG21 ILE 5 8.543 -11.326 2.521 691 HG22 ILE 5 HG22 ILE 5 7.350 -10.058 2.239 692 HG23 ILE 5 HG23 ILE 5 6.819 -11.688 2.645 693 HD11 ILE 5 HD11 ILE 5 6.800 -13.291 4.040 694 HD12 ILE 5 HD12 ILE 5 5.850 -12.579 5.350 695 HD13 ILE 5 HD13 ILE 5 7.089 -13.779 5.710 696 H VAL 6 H VAL 6 6.872 -7.634 4.850 697 HA VAL 6 HA VAL 6 7.109 -6.392 2.291 698 HB VAL 6 HB VAL 6 5.605 -4.646 3.040 699 HG11 VAL 6 HG11 VAL 6 3.681 -5.973 3.846 700 HG12 VAL 6 HG12 VAL 6 4.764 -7.309 4.241 701 HG13 VAL 6 HG13 VAL 6 4.560 -6.806 2.560 702 HG21 VAL 6 HG21 VAL 6 4.851 -4.397 5.399 703 HG22 VAL 6 HG22 VAL 6 6.578 -4.087 5.231 704 HG23 VAL 6 HG23 VAL 6 6.020 -5.619 5.897 705 H GLY 7 H GLY 7 8.776 -5.888 5.320 706 HA2 GLY 7 HA2 GLY 7 10.024 -3.388 4.801 707 HA3 GLY 7 HA3 GLY 7 10.598 -4.619 5.912 708 H ALA 8 H ALA 8 11.029 -6.735 4.102 709 HA ALA 8 HA ALA 8 13.528 -6.163 2.879 710 HB1 ALA 8 HB1 ALA 8 11.647 -8.499 2.375 711 HB2 ALA 8 HB2 ALA 8 12.888 -8.428 3.627 712 HB3 ALA 8 HB3 ALA 8 13.357 -8.435 1.924 713 H ASN 9 H ASN 9 10.239 -6.447 1.577 714 HA ASN 9 HA ASN 9 10.853 -5.924 -1.164 715 HB2 ASN 9 HB2 ASN 9 8.224 -5.616 0.352 716 HB3 ASN 9 HB3 ASN 9 8.385 -5.583 -1.403 717 HD21 ASN 9 HD21 ASN 9 6.849 -7.416 0.291 718 HD22 ASN 9 HD22 ASN 9 7.426 -8.998 -0.085 719 H ALA 10 H ALA 10 10.285 -3.829 1.615 720 HA ALA 10 HA ALA 10 9.665 -1.432 0.123 721 HB1 ALA 10 HB1 ALA 10 10.390 -1.771 3.055 722 HB2 ALA 10 HB2 ALA 10 8.758 -1.809 2.383 723 HB3 ALA 10 HB3 ALA 10 9.704 -0.320 2.310 724 H GLY 11 H GLY 11 12.527 -2.791 1.733 725 HA2 GLY 11 HA2 GLY 11 14.371 -0.691 1.257 726 HA3 GLY 11 HA3 GLY 11 14.777 -2.387 1.480 727 H LYS 12 H LYS 12 13.210 -3.319 -0.766 728 HA LYS 12 HA LYS 12 15.022 -2.990 -2.945 729 HB2 LYS 12 HB2 LYS 12 13.870 -5.097 -2.560 730 HB3 LYS 12 HB3 LYS 12 12.296 -4.322 -2.719 731 HG2 LYS 12 HG2 LYS 12 12.769 -3.875 -5.111 732 HG3 LYS 12 HG3 LYS 12 14.339 -4.667 -4.946 733 HD2 LYS 12 HD2 LYS 12 11.754 -6.134 -4.301 734 HD3 LYS 12 HD3 LYS 12 12.355 -6.019 -5.951 735 HE2 LYS 12 HE2 LYS 12 13.027 -8.146 -4.963 736 HE3 LYS 12 HE3 LYS 12 14.448 -7.153 -5.267 737 HZ1 LYS 12 HZ1 LYS 12 13.130 -7.458 -2.626 738 HZ2 LYS 12 HZ2 LYS 12 14.567 -6.621 -2.945 739 HZ3 LYS 12 HZ3 LYS 12 14.505 -8.295 -3.130 740 H VAL 13 H VAL 13 11.592 -1.938 -2.469 741 HA VAL 13 HA VAL 13 11.380 -0.750 -5.054 742 HB VAL 13 HB VAL 13 9.197 0.175 -4.372 743 HG11 VAL 13 HG11 VAL 13 8.026 -1.949 -3.880 744 HG12 VAL 13 HG12 VAL 13 9.564 -2.700 -3.451 745 HG13 VAL 13 HG13 VAL 13 9.277 -2.167 -5.107 746 HG21 VAL 13 HG21 VAL 13 9.702 0.846 -2.053 747 HG22 VAL 13 HG22 VAL 13 9.823 -0.846 -1.573 748 HG23 VAL 13 HG23 VAL 13 8.271 -0.189 -2.099 749 H TRP 14 H TRP 14 12.171 0.626 -1.867 750 HA TRP 14 HA TRP 14 12.062 3.340 -2.786 751 HB2 TRP 14 HB2 TRP 14 11.827 2.667 -0.338 752 HB3 TRP 14 HB3 TRP 14 13.577 2.470 -0.299 753 HD1 TRP 14 HD1 TRP 14 10.891 5.221 -0.764 754 HE1 TRP 14 HE1 TRP 14 11.973 7.514 -0.366 755 HE3 TRP 14 HE3 TRP 14 15.714 3.737 -0.241 756 HZ2 TRP 14 HZ2 TRP 14 14.541 8.566 0.136 757 HZ3 TRP 14 HZ3 TRP 14 17.457 5.434 0.203 758 HH2 TRP 14 HH2 TRP 14 16.873 7.808 0.384 759 H HIS 15 H HIS 15 14.694 0.955 -2.583 760 HA HIS 15 HA HIS 15 16.818 2.733 -3.255 761 HB2 HIS 15 HB2 HIS 15 17.166 0.412 -2.387 762 HB3 HIS 15 HB3 HIS 15 16.592 -0.235 -3.921 763 HD1 HIS 15 HD1 HIS 15 19.391 2.011 -2.633 764 HD2 HIS 15 HD2 HIS 15 18.609 -0.624 -5.749 765 HE1 HIS 15 HE1 HIS 15 21.545 1.810 -3.903 766 HE2 HIS 15 HE2 HIS 15 21.024 0.292 -5.834 767 H ALA 16 H ALA 16 14.444 0.997 -5.196 768 HA ALA 16 HA ALA 16 15.372 1.700 -7.800 769 HB1 ALA 16 HB1 ALA 16 13.129 0.992 -8.537 770 HB2 ALA 16 HB2 ALA 16 12.580 0.977 -6.859 771 HB3 ALA 16 HB3 ALA 16 13.820 -0.159 -7.390 772 H LEU 17 H LEU 17 13.238 3.319 -5.475 773 HA LEU 17 HA LEU 17 12.411 5.525 -7.106 774 HB2 LEU 17 HB2 LEU 17 12.585 5.147 -4.097 775 HB3 LEU 17 HB3 LEU 17 11.917 6.597 -4.833 776 HG LEU 17 HG LEU 17 10.775 3.822 -5.339 777 HD11 LEU 17 HD11 LEU 17 9.805 5.858 -3.302 778 HD12 LEU 17 HD12 LEU 17 10.632 4.342 -2.926 779 HD13 LEU 17 HD13 LEU 17 9.043 4.312 -3.693 780 HD21 LEU 17 HD21 LEU 17 10.245 5.502 -7.058 781 HD22 LEU 17 HD22 LEU 17 9.636 6.604 -5.819 782 HD23 LEU 17 HD23 LEU 17 8.803 5.077 -6.134 783 H ASN 18 H ASN 18 15.021 5.107 -4.705 784 HA ASN 18 HA ASN 18 16.085 7.716 -4.758 785 HB2 ASN 18 HB2 ASN 18 16.485 5.996 -2.949 786 HB3 ASN 18 HB3 ASN 18 17.531 5.119 -4.057 787 HD21 ASN 18 HD21 ASN 18 17.174 8.070 -2.197 788 HD22 ASN 18 HD22 ASN 18 18.848 8.489 -2.193 789 H GLU 19 H GLU 19 16.530 4.946 -6.836 790 HA GLU 19 HA GLU 19 18.666 6.007 -8.441 791 HB2 GLU 19 HB2 GLU 19 18.224 3.595 -8.337 792 HB3 GLU 19 HB3 GLU 19 16.595 3.836 -8.965 793 HG2 GLU 19 HG2 GLU 19 17.575 4.672 -11.102 794 HG3 GLU 19 HG3 GLU 19 19.188 4.352 -10.457 795 H ALA 20 H ALA 20 15.105 5.725 -8.832 796 HA ALA 20 HA ALA 20 14.925 8.102 -10.492 797 HB1 ALA 20 HB1 ALA 20 13.918 6.966 -12.444 798 HB2 ALA 20 HB2 ALA 20 14.200 5.395 -11.684 799 HB3 ALA 20 HB3 ALA 20 15.568 6.401 -12.162 800 H ASP 21 H ASP 21 13.429 8.998 -9.120 801 HA ASP 21 HA ASP 21 10.984 7.525 -8.374 802 HB2 ASP 21 HB2 ASP 21 10.620 9.256 -6.696 803 HB3 ASP 21 HB3 ASP 21 12.255 8.628 -6.548 804 H GLY 22 H GLY 22 9.088 9.381 -8.085 805 HA2 GLY 22 HA2 GLY 22 7.451 10.534 -9.233 806 HA3 GLY 22 HA3 GLY 22 8.657 10.989 -10.436 807 H ILE 23 H ILE 23 7.635 7.771 -9.370 808 HA ILE 23 HA ILE 23 7.026 7.041 -12.176 809 HB ILE 23 HB ILE 23 9.266 6.265 -11.556 810 HG12 ILE 23 HG12 ILE 23 7.323 3.914 -11.664 811 HG13 ILE 23 HG13 ILE 23 7.894 4.822 -13.060 812 HG21 ILE 23 HG21 ILE 23 9.029 6.168 -9.115 813 HG22 ILE 23 HG22 ILE 23 9.688 4.655 -9.740 814 HG23 ILE 23 HG23 ILE 23 7.992 4.745 -9.257 815 HD11 ILE 23 HD11 ILE 23 9.569 3.115 -11.228 816 HD12 ILE 23 HD12 ILE 23 10.183 4.060 -12.586 817 HD13 ILE 23 HD13 ILE 23 9.061 2.732 -12.871 818 H SER 24 H SER 24 5.344 5.683 -12.543 819 HA SER 24 HA SER 24 3.175 5.543 -10.724 820 HB2 SER 24 HB2 SER 24 3.610 3.933 -13.279 821 HB3 SER 24 HB3 SER 24 2.060 4.220 -12.482 822 HG SER 24 HG SER 24 3.409 6.535 -13.033 823 H ILE 25 H ILE 25 2.188 3.686 -9.717 824 HA ILE 25 HA ILE 25 3.852 1.951 -8.318 825 HB ILE 25 HB ILE 25 0.903 1.457 -8.930 826 HG12 ILE 25 HG12 ILE 25 2.152 2.946 -6.571 827 HG13 ILE 25 HG13 ILE 25 1.264 3.691 -7.893 828 HG21 ILE 25 HG21 ILE 25 1.980 -0.569 -8.055 829 HG22 ILE 25 HG22 ILE 25 0.879 0.100 -6.853 830 HG23 ILE 25 HG23 ILE 25 2.620 0.333 -6.678 831 HD11 ILE 25 HD11 ILE 25 0.125 1.798 -5.829 832 HD12 ILE 25 HD12 ILE 25 -0.773 2.516 -7.170 833 HD13 ILE 25 HD13 ILE 25 -0.105 3.545 -5.905 834 HA PRO 26 HA PRO 26 2.892 -1.708 -11.423 835 HB2 PRO 26 HB2 PRO 26 1.988 -1.191 -13.961 836 HB3 PRO 26 HB3 PRO 26 0.891 -1.408 -12.588 837 HG2 PRO 26 HG2 PRO 26 1.927 1.166 -13.792 838 HG3 PRO 26 HG3 PRO 26 0.253 0.729 -13.373 839 HD2 PRO 26 HD2 PRO 26 1.760 2.242 -11.711 840 HD3 PRO 26 HD3 PRO 26 0.605 1.050 -11.074 841 H GLU 27 H GLU 27 4.307 1.281 -12.691 842 HA GLU 27 HA GLU 27 6.092 -0.005 -14.590 843 HB2 GLU 27 HB2 GLU 27 5.252 2.363 -14.832 844 HB3 GLU 27 HB3 GLU 27 6.216 2.814 -13.425 845 HG2 GLU 27 HG2 GLU 27 7.347 3.463 -15.500 846 HG3 GLU 27 HG3 GLU 27 8.282 2.243 -14.638 847 H LEU 28 H LEU 28 6.304 1.478 -11.450 848 HA LEU 28 HA LEU 28 8.943 0.950 -10.689 849 HB2 LEU 28 HB2 LEU 28 7.433 2.524 -9.590 850 HB3 LEU 28 HB3 LEU 28 6.349 1.222 -9.136 851 HG LEU 28 HG LEU 28 8.066 0.347 -7.576 852 HD11 LEU 28 HD11 LEU 28 10.048 1.688 -6.994 853 HD12 LEU 28 HD12 LEU 28 9.684 2.815 -8.303 854 HD13 LEU 28 HD13 LEU 28 10.115 1.142 -8.669 855 HD21 LEU 28 HD21 LEU 28 7.298 3.255 -7.172 856 HD22 LEU 28 HD22 LEU 28 7.775 2.129 -5.892 857 HD23 LEU 28 HD23 LEU 28 6.294 1.844 -6.815 858 H ALA 29 H ALA 29 5.965 -0.988 -10.400 859 HA ALA 29 HA ALA 29 6.908 -3.210 -8.973 860 HB1 ALA 29 HB1 ALA 29 4.976 -4.431 -9.885 861 HB2 ALA 29 HB2 ALA 29 4.744 -3.170 -11.101 862 HB3 ALA 29 HB3 ALA 29 4.517 -2.800 -9.393 863 H ARG 30 H ARG 30 7.091 -2.479 -12.425 864 HA ARG 30 HA ARG 30 8.089 -4.951 -13.389 865 HB2 ARG 30 HB2 ARG 30 8.357 -2.117 -14.461 866 HB3 ARG 30 HB3 ARG 30 8.888 -3.544 -15.350 867 HG2 ARG 30 HG2 ARG 30 6.627 -4.387 -15.490 868 HG3 ARG 30 HG3 ARG 30 6.031 -3.116 -14.418 869 HD2 ARG 30 HD2 ARG 30 5.563 -2.749 -16.875 870 HD3 ARG 30 HD3 ARG 30 6.409 -1.427 -16.072 871 HE ARG 30 HE ARG 30 8.338 -1.910 -17.275 872 HH11 ARG 30 HH11 ARG 30 5.916 -4.258 -18.078 873 HH12 ARG 30 HH12 ARG 30 6.767 -4.794 -19.481 874 HH21 ARG 30 HH21 ARG 30 9.391 -2.629 -19.048 875 HH22 ARG 30 HH22 ARG 30 8.709 -3.887 -20.018 876 H LYS 31 H LYS 31 9.836 -1.948 -12.402 877 HA LYS 31 HA LYS 31 12.427 -3.078 -12.971 878 HB2 LYS 31 HB2 LYS 31 13.391 -1.019 -12.147 879 HB3 LYS 31 HB3 LYS 31 12.005 -0.640 -13.158 880 HG2 LYS 31 HG2 LYS 31 10.648 -0.221 -11.118 881 HG3 LYS 31 HG3 LYS 31 12.062 -0.570 -10.119 882 HD2 LYS 31 HD2 LYS 31 11.776 1.720 -12.110 883 HD3 LYS 31 HD3 LYS 31 11.751 1.857 -10.350 884 HE2 LYS 31 HE2 LYS 31 14.112 1.046 -10.286 885 HE3 LYS 31 HE3 LYS 31 14.123 0.982 -12.048 886 HZ1 LYS 31 HZ1 LYS 31 15.149 2.984 -11.313 887 HZ2 LYS 31 HZ2 LYS 31 13.814 3.398 -10.356 888 HZ3 LYS 31 HZ3 LYS 31 13.677 3.391 -12.040 889 H VAL 32 H VAL 32 10.388 -3.035 -10.108 890 HA VAL 32 HA VAL 32 12.563 -4.062 -8.403 891 HB VAL 32 HB VAL 32 11.082 -3.876 -6.508 892 HG11 VAL 32 HG11 VAL 32 10.819 -1.423 -8.286 893 HG12 VAL 32 HG12 VAL 32 12.170 -1.803 -7.214 894 HG13 VAL 32 HG13 VAL 32 10.582 -1.448 -6.536 895 HG21 VAL 32 HG21 VAL 32 8.717 -3.118 -6.685 896 HG22 VAL 32 HG22 VAL 32 8.968 -4.670 -7.482 897 HG23 VAL 32 HG23 VAL 32 8.829 -3.201 -8.445 898 H ASN 33 H ASN 33 10.381 -5.355 -10.564 899 HA ASN 33 HA ASN 33 9.872 -7.465 -11.204 900 HB2 ASN 33 HB2 ASN 33 11.903 -8.342 -9.097 901 HB3 ASN 33 HB3 ASN 33 11.275 -9.352 -10.397 902 HD21 ASN 33 HD21 ASN 33 13.365 -6.657 -9.621 903 HD22 ASN 33 HD22 ASN 33 14.199 -6.608 -11.131 904 H LEU 34 H LEU 34 8.446 -6.173 -8.838 905 HA LEU 34 HA LEU 34 7.187 -8.568 -7.603 906 HB2 LEU 34 HB2 LEU 34 7.070 -5.654 -6.702 907 HB3 LEU 34 HB3 LEU 34 6.332 -7.015 -5.865 908 HG LEU 34 HG LEU 34 9.331 -6.556 -6.208 909 HD11 LEU 34 HD11 LEU 34 7.607 -6.272 -3.723 910 HD12 LEU 34 HD12 LEU 34 8.342 -4.957 -4.645 911 HD13 LEU 34 HD13 LEU 34 9.367 -6.109 -3.793 912 HD21 LEU 34 HD21 LEU 34 7.893 -8.757 -4.679 913 HD22 LEU 34 HD22 LEU 34 9.636 -8.465 -4.664 914 HD23 LEU 34 HD23 LEU 34 8.838 -8.953 -6.156 915 H SER 35 H SER 35 4.768 -8.349 -7.213 916 HA SER 35 HA SER 35 3.309 -7.467 -9.535 917 HB2 SER 35 HB2 SER 35 2.282 -8.401 -6.819 918 HB3 SER 35 HB3 SER 35 1.280 -8.179 -8.261 919 HG SER 35 HG SER 35 2.586 -9.787 -9.283 920 H VAL 36 H VAL 36 1.401 -5.980 -9.401 921 HA VAL 36 HA VAL 36 2.137 -3.374 -8.692 922 HB VAL 36 HB VAL 36 -0.697 -4.404 -9.188 923 HG11 VAL 36 HG11 VAL 36 -1.223 -2.082 -9.903 924 HG12 VAL 36 HG12 VAL 36 0.401 -1.567 -9.448 925 HG13 VAL 36 HG13 VAL 36 -0.723 -2.133 -8.211 926 HG21 VAL 36 HG21 VAL 36 1.347 -3.343 -11.185 927 HG22 VAL 36 HG22 VAL 36 -0.324 -3.777 -11.558 928 HG23 VAL 36 HG23 VAL 36 0.813 -5.021 -11.036 929 H GLU 37 H GLU 37 -0.295 -5.477 -7.067 930 HA GLU 37 HA GLU 37 -0.876 -3.790 -4.866 931 HB2 GLU 37 HB2 GLU 37 -1.040 -6.826 -5.053 932 HB3 GLU 37 HB3 GLU 37 -1.758 -5.864 -3.760 933 HG2 GLU 37 HG2 GLU 37 -3.233 -4.761 -5.377 934 HG3 GLU 37 HG3 GLU 37 -2.494 -5.672 -6.697 935 H SER 38 H SER 38 1.632 -6.275 -5.276 936 HA SER 38 HA SER 38 2.566 -6.430 -2.598 937 HB2 SER 38 HB2 SER 38 3.086 -8.143 -4.343 938 HB3 SER 38 HB3 SER 38 4.126 -6.980 -5.166 939 HG SER 38 HG SER 38 5.596 -7.832 -3.904 940 H THR 39 H THR 39 3.497 -4.395 -5.332 941 HA THR 39 HA THR 39 5.744 -3.103 -4.124 942 HB THR 39 HB THR 39 4.048 -2.268 -6.524 943 HG1 THR 39 HG1 THR 39 5.068 -3.921 -7.360 944 HG21 THR 39 HG21 THR 39 6.825 -1.309 -5.713 945 HG22 THR 39 HG22 THR 39 5.351 -0.339 -5.660 946 HG23 THR 39 HG23 THR 39 5.983 -0.896 -7.210 947 H ALA 40 H ALA 40 2.344 -2.069 -4.680 948 HA ALA 40 HA ALA 40 2.408 0.475 -3.485 949 HB1 ALA 40 HB1 ALA 40 0.059 -1.452 -3.628 950 HB2 ALA 40 HB2 ALA 40 0.544 -0.324 -4.894 951 HB3 ALA 40 HB3 ALA 40 -0.049 0.290 -3.352 952 H LEU 41 H LEU 41 1.920 -2.702 -2.029 953 HA LEU 41 HA LEU 41 1.227 -1.950 0.623 954 HB2 LEU 41 HB2 LEU 41 1.223 -4.278 -0.714 955 HB3 LEU 41 HB3 LEU 41 2.799 -4.458 0.018 956 HG LEU 41 HG LEU 41 0.089 -4.360 1.394 957 HD11 LEU 41 HD11 LEU 41 0.742 -6.591 2.199 958 HD12 LEU 41 HD12 LEU 41 2.263 -6.461 1.306 959 HD13 LEU 41 HD13 LEU 41 0.727 -6.491 0.437 960 HD21 LEU 41 HD21 LEU 41 2.779 -4.320 2.822 961 HD22 LEU 41 HD22 LEU 41 1.203 -4.558 3.583 962 HD23 LEU 41 HD23 LEU 41 1.583 -3.021 2.813 963 H ALA 42 H ALA 42 4.324 -2.848 -0.896 964 HA ALA 42 HA ALA 42 6.056 -2.516 1.306 965 HB1 ALA 42 HB1 ALA 42 6.680 -3.741 -0.730 966 HB2 ALA 42 HB2 ALA 42 7.859 -2.477 -0.376 967 HB3 ALA 42 HB3 ALA 42 6.664 -2.238 -1.657 968 H VAL 43 H VAL 43 4.755 -0.201 -1.002 969 HA VAL 43 HA VAL 43 6.415 2.040 -0.237 970 HB VAL 43 HB VAL 43 3.741 2.003 -1.711 971 HG11 VAL 43 HG11 VAL 43 5.687 4.331 -1.385 972 HG12 VAL 43 HG12 VAL 43 4.082 4.214 -0.659 973 HG13 VAL 43 HG13 VAL 43 4.250 4.333 -2.411 974 HG21 VAL 43 HG21 VAL 43 5.098 2.371 -3.756 975 HG22 VAL 43 HG22 VAL 43 5.562 0.870 -2.955 976 HG23 VAL 43 HG23 VAL 43 6.578 2.301 -2.795 977 H GLY 44 H GLY 44 3.313 0.741 0.873 978 HA2 GLY 44 HA2 GLY 44 2.578 2.800 2.694 979 HA3 GLY 44 HA3 GLY 44 2.076 1.118 2.773 980 H TRP 45 H TRP 45 4.845 0.087 2.950 981 HA TRP 45 HA TRP 45 5.403 0.413 5.761 982 HB2 TRP 45 HB2 TRP 45 5.803 -1.726 4.467 983 HB3 TRP 45 HB3 TRP 45 7.152 -0.934 3.658 984 HD1 TRP 45 HD1 TRP 45 9.467 -1.028 4.925 985 HE1 TRP 45 HE1 TRP 45 10.240 -1.893 7.211 986 HE3 TRP 45 HE3 TRP 45 4.898 -1.845 7.067 987 HZ2 TRP 45 HZ2 TRP 45 9.086 -2.786 9.618 988 HZ3 TRP 45 HZ3 TRP 45 4.816 -2.691 9.380 989 HH2 TRP 45 HH2 TRP 45 6.871 -3.151 10.631 990 H LEU 46 H LEU 46 6.637 1.878 2.812 991 HA LEU 46 HA LEU 46 8.911 3.196 3.971 992 HB2 LEU 46 HB2 LEU 46 7.294 3.838 1.480 993 HB3 LEU 46 HB3 LEU 46 8.812 4.623 1.909 994 HG LEU 46 HG LEU 46 8.482 1.651 1.332 995 HD11 LEU 46 HD11 LEU 46 9.729 2.083 -0.737 996 HD12 LEU 46 HD12 LEU 46 9.711 3.815 -0.401 997 HD13 LEU 46 HD13 LEU 46 8.196 2.953 -0.701 998 HD21 LEU 46 HD21 LEU 46 10.998 3.261 1.898 999 HD22 LEU 46 HD22 LEU 46 10.955 1.567 1.399 1000 HD23 LEU 46 HD23 LEU 46 10.269 2.043 2.950 1001 H ALA 47 H ALA 47 5.500 3.957 3.764 1002 HA ALA 47 HA ALA 47 5.384 6.622 4.464 1003 HB1 ALA 47 HB1 ALA 47 3.496 4.448 5.398 1004 HB2 ALA 47 HB2 ALA 47 3.451 5.241 3.821 1005 HB3 ALA 47 HB3 ALA 47 3.136 6.173 5.285 1006 H ARG 48 H ARG 48 6.024 3.904 6.788 1007 HA ARG 48 HA ARG 48 6.006 5.624 9.131 1008 HB2 ARG 48 HB2 ARG 48 7.345 3.772 10.282 1009 HB3 ARG 48 HB3 ARG 48 5.756 3.331 9.700 1010 HG2 ARG 48 HG2 ARG 48 6.637 2.090 7.874 1011 HG3 ARG 48 HG3 ARG 48 8.257 2.745 8.116 1012 HD2 ARG 48 HD2 ARG 48 6.848 1.001 10.163 1013 HD3 ARG 48 HD3 ARG 48 7.899 0.361 8.896 1014 HE ARG 48 HE ARG 48 9.320 2.355 10.222 1015 HH11 ARG 48 HH11 ARG 48 8.028 -0.745 11.036 1016 HH12 ARG 48 HH12 ARG 48 9.287 -1.084 12.163 1017 HH21 ARG 48 HH21 ARG 48 10.907 1.891 11.630 1018 HH22 ARG 48 HH22 ARG 48 10.911 0.394 12.487 1019 H GLU 49 H GLU 49 8.425 4.739 6.774 1020 HA GLU 49 HA GLU 49 10.661 5.972 8.130 1021 HB2 GLU 49 HB2 GLU 49 10.416 5.223 5.184 1022 HB3 GLU 49 HB3 GLU 49 11.904 5.481 6.092 1023 HG2 GLU 49 HG2 GLU 49 9.932 3.195 6.472 1024 HG3 GLU 49 HG3 GLU 49 11.515 3.092 5.700 1025 H ASN 50 H ASN 50 8.057 7.041 6.162 1026 HA ASN 50 HA ASN 50 7.306 8.992 5.315 1027 HB2 ASN 50 HB2 ASN 50 9.350 10.245 7.202 1028 HB3 ASN 50 HB3 ASN 50 8.026 11.107 6.424 1029 HD21 ASN 50 HD21 ASN 50 8.853 8.760 8.885 1030 HD22 ASN 50 HD22 ASN 50 7.326 8.783 9.688 1031 H LYS 51 H LYS 51 9.659 7.664 4.022 1032 HA LYS 51 HA LYS 51 11.249 9.855 2.898 1033 HB2 LYS 51 HB2 LYS 51 11.459 6.838 2.525 1034 HB3 LYS 51 HB3 LYS 51 12.575 8.017 1.837 1035 HG2 LYS 51 HG2 LYS 51 13.126 8.756 4.189 1036 HG3 LYS 51 HG3 LYS 51 12.141 7.415 4.782 1037 HD2 LYS 51 HD2 LYS 51 14.624 7.164 3.031 1038 HD3 LYS 51 HD3 LYS 51 14.555 6.859 4.769 1039 HE2 LYS 51 HE2 LYS 51 12.963 4.987 4.353 1040 HE3 LYS 51 HE3 LYS 51 13.083 5.290 2.617 1041 HZ1 LYS 51 HZ1 LYS 51 15.353 4.555 4.370 1042 HZ2 LYS 51 HZ2 LYS 51 15.394 4.733 2.688 1043 HZ3 LYS 51 HZ3 LYS 51 14.499 3.483 3.385 1044 H VAL 52 H VAL 52 8.264 8.848 2.094 1045 HA VAL 52 HA VAL 52 8.685 9.063 -0.834 1046 HB VAL 52 HB VAL 52 6.663 7.592 -1.144 1047 HG11 VAL 52 HG11 VAL 52 8.997 6.315 0.336 1048 HG12 VAL 52 HG12 VAL 52 8.922 6.662 -1.395 1049 HG13 VAL 52 HG13 VAL 52 7.840 5.460 -0.690 1050 HG21 VAL 52 HG21 VAL 52 5.591 7.879 1.073 1051 HG22 VAL 52 HG22 VAL 52 6.939 7.045 1.849 1052 HG23 VAL 52 HG23 VAL 52 5.878 6.166 0.745 1053 H VAL 53 H VAL 53 7.276 10.267 -2.022 1054 HA VAL 53 HA VAL 53 5.143 11.821 -0.662 1055 HB VAL 53 HB VAL 53 6.829 12.656 -3.073 1056 HG11 VAL 53 HG11 VAL 53 4.565 13.603 -3.221 1057 HG12 VAL 53 HG12 VAL 53 5.724 14.876 -2.838 1058 HG13 VAL 53 HG13 VAL 53 4.686 14.220 -1.569 1059 HG21 VAL 53 HG21 VAL 53 7.850 14.351 -1.568 1060 HG22 VAL 53 HG22 VAL 53 8.177 12.707 -1.011 1061 HG23 VAL 53 HG23 VAL 53 6.946 13.683 -0.205 1062 H ILE 54 H ILE 54 3.222 10.955 -1.228 1063 HA ILE 54 HA ILE 54 2.836 9.487 -3.741 1064 HB ILE 54 HB ILE 54 0.919 9.847 -1.389 1065 HG12 ILE 54 HG12 ILE 54 2.952 8.746 -0.575 1066 HG13 ILE 54 HG13 ILE 54 1.648 7.569 -0.643 1067 HG21 ILE 54 HG21 ILE 54 -0.244 7.845 -2.272 1068 HG22 ILE 54 HG22 ILE 54 0.852 7.818 -3.655 1069 HG23 ILE 54 HG23 ILE 54 -0.255 9.175 -3.433 1070 HD11 ILE 54 HD11 ILE 54 2.594 6.671 -2.726 1071 HD12 ILE 54 HD12 ILE 54 3.728 6.602 -1.378 1072 HD13 ILE 54 HD13 ILE 54 3.913 7.841 -2.618 1073 H GLU 55 H GLU 55 1.942 10.495 -5.518 1074 HA GLU 55 HA GLU 55 0.077 12.783 -5.102 1075 HB2 GLU 55 HB2 GLU 55 1.900 12.251 -7.480 1076 HB3 GLU 55 HB3 GLU 55 0.729 13.563 -7.374 1077 HG2 GLU 55 HG2 GLU 55 2.026 14.419 -5.376 1078 HG3 GLU 55 HG3 GLU 55 3.264 13.216 -5.749 1079 H ARG 56 H ARG 56 -1.903 12.732 -6.054 1080 HA ARG 56 HA ARG 56 -2.561 10.602 -8.014 1081 HB2 ARG 56 HB2 ARG 56 -4.372 12.068 -6.045 1082 HB3 ARG 56 HB3 ARG 56 -4.986 11.059 -7.357 1083 HG2 ARG 56 HG2 ARG 56 -3.764 9.120 -6.416 1084 HG3 ARG 56 HG3 ARG 56 -3.210 10.129 -5.079 1085 HD2 ARG 56 HD2 ARG 56 -5.574 10.471 -4.385 1086 HD3 ARG 56 HD3 ARG 56 -6.099 9.435 -5.716 1087 HE ARG 56 HE ARG 56 -5.298 7.563 -4.590 1088 HH11 ARG 56 HH11 ARG 56 -4.669 10.409 -2.722 1089 HH12 ARG 56 HH12 ARG 56 -4.128 9.507 -1.355 1090 HH21 ARG 56 HH21 ARG 56 -4.573 6.449 -2.829 1091 HH22 ARG 56 HH22 ARG 56 -4.073 7.295 -1.413 1092 H LYS 57 H LYS 57 -2.498 11.354 -10.004 1093 HA LYS 57 HA LYS 57 -3.854 13.832 -10.778 1094 HB2 LYS 57 HB2 LYS 57 -1.919 14.566 -12.217 1095 HB3 LYS 57 HB3 LYS 57 -1.607 14.694 -10.496 1096 HG2 LYS 57 HG2 LYS 57 -0.596 12.379 -12.189 1097 HG3 LYS 57 HG3 LYS 57 0.328 13.863 -11.933 1098 HD2 LYS 57 HD2 LYS 57 0.324 13.436 -9.487 1099 HD3 LYS 57 HD3 LYS 57 -0.617 11.965 -9.745 1100 HE2 LYS 57 HE2 LYS 57 1.689 11.360 -9.408 1101 HE3 LYS 57 HE3 LYS 57 1.273 11.051 -11.095 1102 HZ1 LYS 57 HZ1 LYS 57 2.313 13.205 -11.633 1103 HZ2 LYS 57 HZ2 LYS 57 3.389 12.074 -11.009 1104 HZ3 LYS 57 HZ3 LYS 57 2.831 13.340 -10.029 1105 H ASN 58 H ASN 58 -4.975 13.576 -12.609 1106 HA ASN 58 HA ASN 58 -6.146 12.541 -14.254 1107 HB2 ASN 58 HB2 ASN 58 -3.487 11.209 -14.940 1108 HB3 ASN 58 HB3 ASN 58 -4.888 11.293 -16.001 1109 HD21 ASN 58 HD21 ASN 58 -2.158 12.265 -16.396 1110 HD22 ASN 58 HD22 ASN 58 -2.304 13.952 -16.732 1111 H GLY 59 H GLY 59 -6.008 11.261 -11.602 1112 HA2 GLY 59 HA2 GLY 59 -6.910 9.405 -10.579 1113 HA3 GLY 59 HA3 GLY 59 -7.168 8.677 -12.153 1114 H LEU 60 H LEU 60 -3.962 9.568 -12.034 1115 HA LEU 60 HA LEU 60 -3.080 6.802 -11.561 1116 HB2 LEU 60 HB2 LEU 60 -2.526 7.886 -13.721 1117 HB3 LEU 60 HB3 LEU 60 -1.677 9.165 -12.868 1118 HG LEU 60 HG LEU 60 -0.041 7.432 -12.015 1119 HD11 LEU 60 HD11 LEU 60 -1.429 5.429 -12.192 1120 HD12 LEU 60 HD12 LEU 60 0.070 5.230 -13.095 1121 HD13 LEU 60 HD13 LEU 60 -1.438 5.561 -13.954 1122 HD21 LEU 60 HD21 LEU 60 0.533 8.848 -13.919 1123 HD22 LEU 60 HD22 LEU 60 -0.230 7.711 -15.034 1124 HD23 LEU 60 HD23 LEU 60 1.209 7.233 -14.130 1125 H ILE 61 H ILE 61 -1.875 6.258 -9.821 1126 HA ILE 61 HA ILE 61 -0.855 8.334 -7.994 1127 HB ILE 61 HB ILE 61 -1.090 5.320 -7.572 1128 HG12 ILE 61 HG12 ILE 61 -2.831 7.622 -6.569 1129 HG13 ILE 61 HG13 ILE 61 -3.315 6.355 -7.689 1130 HG21 ILE 61 HG21 ILE 61 -0.325 7.486 -5.570 1131 HG22 ILE 61 HG22 ILE 61 0.757 6.261 -6.233 1132 HG23 ILE 61 HG23 ILE 61 -0.578 5.781 -5.185 1133 HD11 ILE 61 HD11 ILE 61 -3.089 4.707 -5.865 1134 HD12 ILE 61 HD12 ILE 61 -4.270 5.969 -5.518 1135 HD13 ILE 61 HD13 ILE 61 -2.680 6.022 -4.759 1136 H GLU 62 H GLU 62 1.249 8.889 -8.058 1137 HA GLU 62 HA GLU 62 3.290 6.917 -8.912 1138 HB2 GLU 62 HB2 GLU 62 3.342 9.895 -9.585 1139 HB3 GLU 62 HB3 GLU 62 4.637 8.744 -9.923 1140 HG2 GLU 62 HG2 GLU 62 2.928 7.470 -11.345 1141 HG3 GLU 62 HG3 GLU 62 1.887 8.883 -11.186 1142 H ILE 63 H ILE 63 5.147 6.872 -7.736 1143 HA ILE 63 HA ILE 63 5.055 8.214 -5.118 1144 HB ILE 63 HB ILE 63 6.761 5.787 -5.871 1145 HG12 ILE 63 HG12 ILE 63 5.062 4.515 -4.354 1146 HG13 ILE 63 HG13 ILE 63 3.987 5.884 -4.599 1147 HG21 ILE 63 HG21 ILE 63 7.038 5.530 -3.419 1148 HG22 ILE 63 HG22 ILE 63 6.103 7.004 -3.160 1149 HG23 ILE 63 HG23 ILE 63 7.658 7.081 -3.991 1150 HD11 ILE 63 HD11 ILE 63 5.078 4.070 -6.739 1151 HD12 ILE 63 HD12 ILE 63 4.003 5.446 -6.999 1152 HD13 ILE 63 HD13 ILE 63 3.448 4.054 -6.069 1153 H TYR 64 H TYR 64 6.462 9.696 -4.663 1154 HA TYR 64 HA TYR 64 8.937 10.136 -6.247 1155 HB2 TYR 64 HB2 TYR 64 7.211 12.103 -4.658 1156 HB3 TYR 64 HB3 TYR 64 8.754 12.522 -5.392 1157 HD1 TYR 64 HD2 TYR 64 5.446 10.989 -6.431 1158 HD2 TYR 64 HD1 TYR 64 8.661 13.610 -7.474 1159 HE1 TYR 64 HE2 TYR 64 4.302 11.558 -8.532 1160 HE2 TYR 64 HE1 TYR 64 7.511 14.185 -9.566 1161 HH TYR 64 HH TYR 64 5.856 13.241 -11.075 1162 H ASN 65 H ASN 65 10.742 11.167 -4.915 1163 HA ASN 65 HA ASN 65 11.061 9.865 -2.300 1164 HB2 ASN 65 HB2 ASN 65 12.949 11.434 -4.095 1165 HB3 ASN 65 HB3 ASN 65 13.407 10.949 -2.465 1166 HD21 ASN 65 HD21 ASN 65 14.449 10.203 -5.116 1167 HD22 ASN 65 HD22 ASN 65 14.416 8.488 -5.144 1168 H GLU 66 H GLU 66 11.611 10.980 -0.384 1169 HA GLU 66 HA GLU 66 10.330 13.386 0.281 1170 HB2 GLU 66 HB2 GLU 66 11.034 11.680 1.950 1171 HB3 GLU 66 HB3 GLU 66 12.725 12.066 1.640 1172 HG2 GLU 66 HG2 GLU 66 12.278 14.399 2.478 1173 HG3 GLU 66 HG3 GLU 66 10.647 13.881 2.914 1174 H GLY 67 H GLY 67 10.780 15.262 -0.716 1175 HA2 GLY 67 HA2 GLY 67 12.627 17.093 -0.636 1176 HA3 GLY 67 HA3 GLY 67 13.519 15.939 -1.623 1177 H HIS 68 H HIS 68 10.785 15.127 -2.789 1178 HA HIS 68 HA HIS 68 10.470 17.321 -4.764 1179 HB2 HIS 68 HB2 HIS 68 9.776 14.355 -5.052 1180 HB3 HIS 68 HB3 HIS 68 9.618 15.576 -6.309 1181 HD1 HIS 68 HD1 HIS 68 11.734 16.191 -7.623 1182 HD2 HIS 68 HD2 HIS 68 12.470 13.560 -4.492 1183 HE1 HIS 68 HE1 HIS 68 14.082 15.398 -7.947 1184 HE2 HIS 68 HE2 HIS 68 14.558 13.934 -5.969 1185 H PHE 69 H PHE 69 9.100 18.367 -3.080 1186 HA PHE 69 HA PHE 69 6.286 17.782 -3.392 1187 HB2 PHE 69 HB2 PHE 69 5.716 17.381 -1.037 1188 HB3 PHE 69 HB3 PHE 69 6.836 16.153 -1.602 1189 HD1 PHE 69 HD1 PHE 69 9.255 16.227 -0.844 1190 HD2 PHE 69 HD2 PHE 69 6.294 18.819 0.842 1191 HE1 PHE 69 HE1 PHE 69 10.719 16.665 1.082 1192 HE2 PHE 69 HE2 PHE 69 7.774 19.251 2.761 1193 HZ PHE 69 HZ PHE 69 9.986 18.173 2.882 1194 H ASP 70 H ASP 70 8.820 19.710 -1.939 1195 HA ASP 70 HA ASP 70 7.524 21.643 -0.478 1196 HB2 ASP 70 HB2 ASP 70 9.543 23.115 -1.047 1197 HB3 ASP 70 HB3 ASP 70 9.912 21.519 -0.407 1198 H PHE 71 H PHE 71 8.031 21.710 -3.998 1199 HA PHE 71 HA PHE 71 5.679 23.323 -4.423 1200 HB2 PHE 71 HB2 PHE 71 7.379 25.089 -3.911 1201 HB3 PHE 71 HB3 PHE 71 8.403 24.485 -5.212 1202 HD1 PHE 71 HD2 PHE 71 4.774 25.466 -4.822 1203 HD2 PHE 71 HD1 PHE 71 8.365 25.857 -7.116 1204 HE1 PHE 71 HE2 PHE 71 3.623 26.978 -6.380 1205 HE2 PHE 71 HE1 PHE 71 7.202 27.370 -8.662 1206 HZ PHE 71 HZ PHE 71 4.836 27.931 -8.296 1207 H SER 72 H SER 72 4.751 22.602 -6.261 1208 HA SER 72 HA SER 72 6.040 20.728 -8.027 1209 HB2 SER 72 HB2 SER 72 3.871 20.705 -9.237 1210 HB3 SER 72 HB3 SER 72 3.620 20.543 -7.503 1211 HG SER 72 HG SER 72 2.837 22.534 -9.217 1212 H PHE 73 H PHE 73 7.081 21.131 -9.927 1213 HA PHE 73 HA PHE 73 7.525 23.876 -10.772 1214 HB2 PHE 73 HB2 PHE 73 9.425 22.302 -10.712 1215 HB3 PHE 73 HB3 PHE 73 8.632 21.257 -11.888 1216 HD1 PHE 73 HD1 PHE 73 9.901 24.770 -11.470 1217 HD2 PHE 73 HD2 PHE 73 9.100 21.581 -14.209 1218 HE1 PHE 73 HE1 PHE 73 10.934 26.064 -13.287 1219 HE2 PHE 73 HE2 PHE 73 10.138 22.888 -16.020 1220 HZ PHE 73 HZ PHE 73 11.056 25.125 -15.559 1221 H GLY 74 H GLY 74 5.769 24.715 -11.788 1222 HA2 GLY 74 HA2 GLY 74 5.196 23.764 -14.512 1223 HA3 GLY 74 HA3 GLY 74 3.828 23.937 -13.410 1224 H LEU 75 H LEU 75 6.762 25.878 -13.881 1225 HA LEU 75 HA LEU 75 5.258 28.353 -13.647 1226 HB2 LEU 75 HB2 LEU 75 8.244 27.798 -13.890 1227 HB3 LEU 75 HB3 LEU 75 7.570 29.415 -13.799 1228 HG LEU 75 HG LEU 75 6.623 28.819 -11.516 1229 HD11 LEU 75 HD11 LEU 75 6.621 26.378 -11.682 1230 HD12 LEU 75 HD12 LEU 75 7.540 26.919 -10.283 1231 HD13 LEU 75 HD13 LEU 75 8.386 26.361 -11.728 1232 HD21 LEU 75 HD21 LEU 75 8.752 29.120 -10.318 1233 HD22 LEU 75 HD22 LEU 75 8.659 30.170 -11.729 1234 HD23 LEU 75 HD23 LEU 75 9.649 28.709 -11.784 1235 H GLU 76 H GLU 76 4.420 29.369 -15.382 1236 HA GLU 76 HA GLU 76 5.171 28.830 -18.097 1237 HB2 GLU 76 HB2 GLU 76 2.878 29.597 -17.488 1238 HB3 GLU 76 HB3 GLU 76 3.527 31.155 -16.985 1239 HG2 GLU 76 HG2 GLU 76 4.296 31.547 -19.338 1240 HG3 GLU 76 HG3 GLU 76 3.555 30.021 -19.809 1241 H HIS 77 H HIS 77 6.453 30.007 -19.480 1242 HA HIS 77 HA HIS 77 7.992 32.326 -18.448 1243 HB2 HIS 77 HB2 HIS 77 9.310 30.132 -18.478 1244 HB3 HIS 77 HB3 HIS 77 9.109 30.091 -20.227 1245 HD1 HIS 77 HD1 HIS 77 10.973 31.784 -17.489 1246 HD2 HIS 77 HD2 HIS 77 10.744 31.956 -21.636 1247 HE1 HIS 77 HE1 HIS 77 12.940 33.149 -18.211 1248 HE2 HIS 77 HE2 HIS 77 12.908 33.038 -20.719 1249 H HIS 78 H HIS 78 8.245 34.019 -19.910 1250 HA HIS 78 HA HIS 78 6.523 34.425 -22.046 1251 HB2 HIS 78 HB2 HIS 78 8.032 36.346 -22.714 1252 HB3 HIS 78 HB3 HIS 78 7.592 36.326 -21.014 1253 HD1 HIS 78 HD1 HIS 78 10.543 35.790 -23.300 1254 HD2 HIS 78 HD2 HIS 78 9.732 36.085 -19.237 1255 HE1 HIS 78 HE1 HIS 78 12.786 35.913 -22.173 1256 HE2 HIS 78 HE2 HIS 78 12.256 36.256 -19.743 1257 H HIS 79 H HIS 79 6.369 33.652 -24.031 1258 HA HIS 79 HA HIS 79 8.146 31.644 -24.998 1259 HB2 HIS 79 HB2 HIS 79 5.635 31.663 -25.322 1260 HB3 HIS 79 HB3 HIS 79 5.833 32.966 -26.487 1261 HD1 HIS 79 HD1 HIS 79 6.038 29.303 -26.112 1262 HD2 HIS 79 HD2 HIS 79 7.085 32.127 -28.975 1263 HE1 HIS 79 HE1 HIS 79 6.478 28.003 -28.205 1264 HE2 HIS 79 HE2 HIS 79 6.979 29.733 -29.948 1265 H HIS 80 H HIS 80 10.154 32.371 -25.576 1266 HA HIS 80 HA HIS 80 10.635 34.618 -27.311 1267 HB2 HIS 80 HB2 HIS 80 12.989 33.819 -27.353 1268 HB3 HIS 80 HB3 HIS 80 12.360 33.935 -25.715 1269 HD1 HIS 80 HD1 HIS 80 13.653 31.495 -28.212 1270 HD2 HIS 80 HD2 HIS 80 12.083 31.448 -24.363 1271 HE1 HIS 80 HE1 HIS 80 14.192 29.222 -27.297 1272 HE2 HIS 80 HE2 HIS 80 13.306 29.242 -24.945 1273 H HIS 81 H HIS 81 11.153 34.619 -29.535 1274 HA HIS 81 HA HIS 81 10.422 32.164 -31.045 1275 HB2 HIS 81 HB2 HIS 81 9.633 33.570 -32.853 1276 HB3 HIS 81 HB3 HIS 81 8.887 34.118 -31.363 1277 HD1 HIS 81 HD1 HIS 81 9.825 36.432 -30.387 1278 HD2 HIS 81 HD2 HIS 81 11.017 35.496 -34.254 1279 HE1 HIS 81 HE1 HIS 81 10.684 38.580 -31.360 1280 HE2 HIS 81 HE2 HIS 81 11.349 38.007 -33.712 1281 H HIS 82 H HIS 82 11.775 31.368 -32.617 1282 HA HIS 82 HA HIS 82 14.102 32.813 -33.589 1283 HB2 HIS 82 HB2 HIS 82 14.773 31.877 -31.288 1284 HB3 HIS 82 HB3 HIS 82 14.571 30.264 -31.960 1285 HD1 HIS 82 HD1 HIS 82 16.931 33.091 -31.755 1286 HD2 HIS 82 HD2 HIS 82 16.593 29.565 -33.923 1287 HE1 HIS 82 HE1 HIS 82 19.199 32.695 -32.744 1288 HE2 HIS 82 HE2 HIS 82 19.007 30.484 -33.919 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.349 15.085 -3.511 2 H2 MET 1 H2 MET 1 -1.024 14.740 -2.584 3 H3 MET 1 H3 MET 1 0.415 13.891 -2.314 4 HA MET 1 HA MET 1 1.516 15.860 -1.546 5 HB2 MET 1 HB2 MET 1 0.369 17.999 -1.346 6 HB3 MET 1 HB3 MET 1 0.239 17.443 -3.011 7 HG2 MET 1 HG2 MET 1 -1.935 17.261 -0.908 8 HG3 MET 1 HG3 MET 1 -1.858 18.449 -2.216 9 HE1 MET 1 HE1 MET 1 -4.501 16.815 -1.800 10 HE2 MET 1 HE2 MET 1 -4.856 16.278 -3.443 11 HE3 MET 1 HE3 MET 1 -4.261 17.915 -3.159 12 H ASP 2 H ASP 2 0.963 17.027 0.631 13 HA ASP 2 HA ASP 2 0.561 16.852 2.842 14 HB2 ASP 2 HB2 ASP 2 -2.226 16.496 1.710 15 HB3 ASP 2 HB3 ASP 2 -1.932 16.750 3.427 16 H LYS 3 H LYS 3 1.475 15.264 3.913 17 HA LYS 3 HA LYS 3 1.004 12.489 3.679 18 HB2 LYS 3 HB2 LYS 3 3.090 13.620 4.582 19 HB3 LYS 3 HB3 LYS 3 2.207 13.953 6.066 20 HG2 LYS 3 HG2 LYS 3 3.581 12.025 6.438 21 HG3 LYS 3 HG3 LYS 3 1.899 11.482 6.375 22 HD2 LYS 3 HD2 LYS 3 2.251 10.789 3.995 23 HD3 LYS 3 HD3 LYS 3 3.949 11.268 4.131 24 HE2 LYS 3 HE2 LYS 3 2.537 9.070 5.670 25 HE3 LYS 3 HE3 LYS 3 3.789 8.872 4.443 26 HZ1 LYS 3 HZ1 LYS 3 5.363 9.950 5.903 27 HZ2 LYS 3 HZ2 LYS 3 4.653 8.648 6.710 28 HZ3 LYS 3 HZ3 LYS 3 4.170 10.222 7.065 29 H LYS 4 H LYS 4 -0.815 14.878 5.408 30 HA LYS 4 HA LYS 4 -1.988 13.217 7.423 31 HB2 LYS 4 HB2 LYS 4 -3.067 15.798 6.230 32 HB3 LYS 4 HB3 LYS 4 -3.598 15.061 7.739 33 HG2 LYS 4 HG2 LYS 4 -0.878 16.280 7.161 34 HG3 LYS 4 HG3 LYS 4 -2.130 16.939 8.216 35 HD2 LYS 4 HD2 LYS 4 -0.607 14.334 8.685 36 HD3 LYS 4 HD3 LYS 4 -0.276 15.868 9.491 37 HE2 LYS 4 HE2 LYS 4 -2.479 15.805 10.570 38 HE3 LYS 4 HE3 LYS 4 -2.889 14.327 9.698 39 HZ1 LYS 4 HZ1 LYS 4 -1.154 13.172 10.861 40 HZ2 LYS 4 HZ2 LYS 4 -2.179 13.920 11.978 41 HZ3 LYS 4 HZ3 LYS 4 -0.668 14.591 11.641 42 H ILE 5 H ILE 5 -2.695 13.681 4.035 43 HA ILE 5 HA ILE 5 -5.418 12.953 3.920 44 HB ILE 5 HB ILE 5 -3.240 12.575 1.818 45 HG12 ILE 5 HG12 ILE 5 -5.305 14.801 2.143 46 HG13 ILE 5 HG13 ILE 5 -3.596 14.937 2.539 47 HG21 ILE 5 HG21 ILE 5 -5.050 12.447 0.130 48 HG22 ILE 5 HG22 ILE 5 -6.256 12.472 1.418 49 HG23 ILE 5 HG23 ILE 5 -5.145 11.109 1.279 50 HD11 ILE 5 HD11 ILE 5 -4.086 16.004 0.431 51 HD12 ILE 5 HD12 ILE 5 -4.754 14.507 -0.216 52 HD13 ILE 5 HD13 ILE 5 -3.034 14.615 0.171 53 H VAL 6 H VAL 6 -2.482 10.881 3.634 54 HA VAL 6 HA VAL 6 -3.834 8.424 3.188 55 HB VAL 6 HB VAL 6 -1.742 7.266 3.760 56 HG11 VAL 6 HG11 VAL 6 -0.218 8.362 2.166 57 HG12 VAL 6 HG12 VAL 6 -1.219 9.819 2.198 58 HG13 VAL 6 HG13 VAL 6 -1.875 8.303 1.561 59 HG21 VAL 6 HG21 VAL 6 -1.092 8.532 5.787 60 HG22 VAL 6 HG22 VAL 6 -0.705 9.938 4.798 61 HG23 VAL 6 HG23 VAL 6 0.246 8.461 4.636 62 H GLY 7 H GLY 7 -3.137 10.194 6.132 63 HA2 GLY 7 HA2 GLY 7 -3.821 8.208 8.042 64 HA3 GLY 7 HA3 GLY 7 -3.814 9.943 8.303 65 H ALA 8 H ALA 8 -5.710 10.885 6.655 66 HA ALA 8 HA ALA 8 -8.140 10.433 7.994 67 HB1 ALA 8 HB1 ALA 8 -7.693 11.704 5.271 68 HB2 ALA 8 HB2 ALA 8 -7.579 12.526 6.828 69 HB3 ALA 8 HB3 ALA 8 -9.133 11.894 6.284 70 H ASN 9 H ASN 9 -6.994 9.175 4.861 71 HA ASN 9 HA ASN 9 -9.409 7.739 4.226 72 HB2 ASN 9 HB2 ASN 9 -6.618 7.676 3.019 73 HB3 ASN 9 HB3 ASN 9 -7.933 6.662 2.424 74 HD21 ASN 9 HD21 ASN 9 -6.649 9.872 2.520 75 HD22 ASN 9 HD22 ASN 9 -7.792 10.585 1.455 76 H ALA 10 H ALA 10 -6.509 6.943 6.062 77 HA ALA 10 HA ALA 10 -6.578 4.101 5.759 78 HB1 ALA 10 HB1 ALA 10 -4.966 4.048 7.612 79 HB2 ALA 10 HB2 ALA 10 -5.305 5.746 7.972 80 HB3 ALA 10 HB3 ALA 10 -4.544 5.302 6.442 81 H GLY 11 H GLY 11 -8.008 6.305 8.139 82 HA2 GLY 11 HA2 GLY 11 -8.954 4.348 10.001 83 HA3 GLY 11 HA3 GLY 11 -9.536 6.000 9.846 84 H LYS 12 H LYS 12 -10.384 5.834 7.133 85 HA LYS 12 HA LYS 12 -12.985 4.710 7.297 86 HB2 LYS 12 HB2 LYS 12 -12.367 6.660 5.858 87 HB3 LYS 12 HB3 LYS 12 -11.412 5.587 4.837 88 HG2 LYS 12 HG2 LYS 12 -13.532 4.330 4.303 89 HG3 LYS 12 HG3 LYS 12 -14.431 5.557 5.200 90 HD2 LYS 12 HD2 LYS 12 -12.709 6.056 2.736 91 HD3 LYS 12 HD3 LYS 12 -14.473 5.974 2.755 92 HE2 LYS 12 HE2 LYS 12 -12.776 8.050 4.193 93 HE3 LYS 12 HE3 LYS 12 -13.687 8.302 2.705 94 HZ1 LYS 12 HZ1 LYS 12 -15.726 7.835 3.928 95 HZ2 LYS 12 HZ2 LYS 12 -14.893 9.145 4.591 96 HZ3 LYS 12 HZ3 LYS 12 -14.846 7.640 5.359 97 H VAL 13 H VAL 13 -10.032 3.698 5.554 98 HA VAL 13 HA VAL 13 -10.947 1.289 4.421 99 HB VAL 13 HB VAL 13 -8.145 2.184 5.211 100 HG11 VAL 13 HG11 VAL 13 -8.890 -0.253 3.546 101 HG12 VAL 13 HG12 VAL 13 -8.109 -0.270 5.129 102 HG13 VAL 13 HG13 VAL 13 -7.256 0.390 3.732 103 HG21 VAL 13 HG21 VAL 13 -9.533 2.098 2.499 104 HG22 VAL 13 HG22 VAL 13 -7.871 2.623 2.784 105 HG23 VAL 13 HG23 VAL 13 -9.215 3.549 3.455 106 H TRP 14 H TRP 14 -9.463 1.942 7.570 107 HA TRP 14 HA TRP 14 -9.317 -0.723 8.520 108 HB2 TRP 14 HB2 TRP 14 -8.117 1.252 9.579 109 HB3 TRP 14 HB3 TRP 14 -9.652 1.749 10.286 110 HD1 TRP 14 HD1 TRP 14 -6.984 -1.035 10.555 111 HE1 TRP 14 HE1 TRP 14 -7.289 -2.261 12.798 112 HE3 TRP 14 HE3 TRP 14 -11.326 1.144 12.084 113 HZ2 TRP 14 HZ2 TRP 14 -9.130 -2.317 14.929 114 HZ3 TRP 14 HZ3 TRP 14 -12.317 0.455 14.243 115 HH2 TRP 14 HH2 TRP 14 -11.235 -1.248 15.635 116 H HIS 15 H HIS 15 -11.929 1.688 8.644 117 HA HIS 15 HA HIS 15 -13.721 0.280 10.329 118 HB2 HIS 15 HB2 HIS 15 -14.085 2.639 9.820 119 HB3 HIS 15 HB3 HIS 15 -14.284 2.284 8.106 120 HD1 HIS 15 HD1 HIS 15 -15.990 1.218 11.359 121 HD2 HIS 15 HD2 HIS 15 -16.916 2.175 7.424 122 HE1 HIS 15 HE1 HIS 15 -18.481 1.047 11.200 123 HE2 HIS 15 HE2 HIS 15 -19.027 1.794 8.866 124 H ALA 16 H ALA 16 -13.355 0.225 6.767 125 HA ALA 16 HA ALA 16 -15.427 -1.678 6.215 126 HB1 ALA 16 HB1 ALA 16 -14.521 -0.153 4.510 127 HB2 ALA 16 HB2 ALA 16 -14.374 -1.833 3.989 128 HB3 ALA 16 HB3 ALA 16 -12.958 -0.968 4.597 129 H LEU 17 H LEU 17 -12.025 -1.935 6.980 130 HA LEU 17 HA LEU 17 -11.684 -4.762 6.670 131 HB2 LEU 17 HB2 LEU 17 -9.869 -3.125 6.473 132 HB3 LEU 17 HB3 LEU 17 -10.118 -2.578 8.111 133 HG LEU 17 HG LEU 17 -8.037 -3.974 7.629 134 HD11 LEU 17 HD11 LEU 17 -9.790 -4.977 9.876 135 HD12 LEU 17 HD12 LEU 17 -8.829 -3.496 9.895 136 HD13 LEU 17 HD13 LEU 17 -8.026 -5.061 9.770 137 HD21 LEU 17 HD21 LEU 17 -9.046 -5.685 6.207 138 HD22 LEU 17 HD22 LEU 17 -9.993 -6.291 7.569 139 HD23 LEU 17 HD23 LEU 17 -8.232 -6.404 7.594 140 H ASN 18 H ASN 18 -12.862 -2.695 9.251 141 HA ASN 18 HA ASN 18 -12.483 -4.521 11.443 142 HB2 ASN 18 HB2 ASN 18 -12.498 -2.092 11.829 143 HB3 ASN 18 HB3 ASN 18 -14.144 -1.969 11.221 144 HD21 ASN 18 HD21 ASN 18 -15.853 -2.574 12.571 145 HD22 ASN 18 HD22 ASN 18 -15.638 -2.921 14.247 146 H GLU 19 H GLU 19 -15.316 -3.526 9.480 147 HA GLU 19 HA GLU 19 -17.317 -4.879 10.953 148 HB2 GLU 19 HB2 GLU 19 -17.363 -4.205 7.986 149 HB3 GLU 19 HB3 GLU 19 -18.766 -4.531 8.996 150 HG2 GLU 19 HG2 GLU 19 -16.919 -2.130 9.160 151 HG3 GLU 19 HG3 GLU 19 -18.575 -2.145 8.567 152 H ALA 20 H ALA 20 -15.232 -5.944 8.333 153 HA ALA 20 HA ALA 20 -15.447 -8.702 9.059 154 HB1 ALA 20 HB1 ALA 20 -16.286 -9.578 6.906 155 HB2 ALA 20 HB2 ALA 20 -16.552 -7.931 6.327 156 HB3 ALA 20 HB3 ALA 20 -17.496 -8.553 7.681 157 H ASP 21 H ASP 21 -13.316 -9.206 9.010 158 HA ASP 21 HA ASP 21 -11.500 -7.894 7.106 159 HB2 ASP 21 HB2 ASP 21 -9.718 -8.506 8.567 160 HB3 ASP 21 HB3 ASP 21 -11.030 -7.930 9.586 161 H GLY 22 H GLY 22 -9.448 -9.555 6.665 162 HA2 GLY 22 HA2 GLY 22 -8.763 -11.134 5.126 163 HA3 GLY 22 HA3 GLY 22 -10.176 -12.094 5.569 164 H ILE 23 H ILE 23 -9.931 -8.820 4.237 165 HA ILE 23 HA ILE 23 -11.891 -9.521 2.128 166 HB ILE 23 HB ILE 23 -12.920 -8.172 3.890 167 HG12 ILE 23 HG12 ILE 23 -13.723 -6.201 2.526 168 HG13 ILE 23 HG13 ILE 23 -12.471 -6.563 1.343 169 HG21 ILE 23 HG21 ILE 23 -10.801 -6.051 3.445 170 HG22 ILE 23 HG22 ILE 23 -10.961 -7.085 4.867 171 HG23 ILE 23 HG23 ILE 23 -12.213 -5.896 4.495 172 HD11 ILE 23 HD11 ILE 23 -13.505 -8.678 0.838 173 HD12 ILE 23 HD12 ILE 23 -14.696 -7.384 0.720 174 HD13 ILE 23 HD13 ILE 23 -14.691 -8.444 2.126 175 H SER 24 H SER 24 -11.037 -9.380 0.118 176 HA SER 24 HA SER 24 -8.369 -8.675 -0.354 177 HB2 SER 24 HB2 SER 24 -10.594 -9.066 -2.397 178 HB3 SER 24 HB3 SER 24 -8.868 -9.030 -2.776 179 HG SER 24 HG SER 24 -8.880 -10.790 -0.992 180 H ILE 25 H ILE 25 -7.373 -7.027 -1.566 181 HA ILE 25 HA ILE 25 -8.051 -4.495 -0.659 182 HB ILE 25 HB ILE 25 -6.080 -5.191 -2.871 183 HG12 ILE 25 HG12 ILE 25 -5.673 -4.829 0.145 184 HG13 ILE 25 HG13 ILE 25 -5.618 -6.356 -0.725 185 HG21 ILE 25 HG21 ILE 25 -4.987 -3.029 -2.359 186 HG22 ILE 25 HG22 ILE 25 -6.279 -2.640 -1.220 187 HG23 ILE 25 HG23 ILE 25 -6.637 -2.793 -2.940 188 HD11 ILE 25 HD11 ILE 25 -3.661 -4.075 -1.004 189 HD12 ILE 25 HD12 ILE 25 -3.616 -5.575 -1.934 190 HD13 ILE 25 HD13 ILE 25 -3.392 -5.613 -0.186 191 HA PRO 26 HA PRO 26 -9.731 -3.256 -5.125 192 HB2 PRO 26 HB2 PRO 26 -10.811 -5.349 -6.613 193 HB3 PRO 26 HB3 PRO 26 -9.195 -4.677 -6.861 194 HG2 PRO 26 HG2 PRO 26 -10.008 -7.116 -5.289 195 HG3 PRO 26 HG3 PRO 26 -8.663 -6.920 -6.432 196 HD2 PRO 26 HD2 PRO 26 -8.228 -6.830 -3.780 197 HD3 PRO 26 HD3 PRO 26 -7.343 -5.743 -4.878 198 H GLU 27 H GLU 27 -11.122 -5.785 -3.065 199 HA GLU 27 HA GLU 27 -13.869 -5.179 -3.750 200 HB2 GLU 27 HB2 GLU 27 -13.151 -7.463 -3.112 201 HB3 GLU 27 HB3 GLU 27 -12.790 -6.893 -1.489 202 HG2 GLU 27 HG2 GLU 27 -14.918 -8.052 -1.498 203 HG3 GLU 27 HG3 GLU 27 -15.177 -6.345 -1.148 204 H LEU 28 H LEU 28 -11.993 -4.748 -0.634 205 HA LEU 28 HA LEU 28 -14.096 -3.221 0.562 206 HB2 LEU 28 HB2 LEU 28 -12.840 -2.860 2.466 207 HB3 LEU 28 HB3 LEU 28 -12.320 -4.430 1.898 208 HG LEU 28 HG LEU 28 -10.687 -1.923 1.362 209 HD11 LEU 28 HD11 LEU 28 -9.344 -2.445 3.341 210 HD12 LEU 28 HD12 LEU 28 -10.444 -3.761 3.763 211 HD13 LEU 28 HD13 LEU 28 -11.015 -2.091 3.784 212 HD21 LEU 28 HD21 LEU 28 -10.130 -3.871 -0.007 213 HD22 LEU 28 HD22 LEU 28 -9.926 -4.857 1.444 214 HD23 LEU 28 HD23 LEU 28 -8.831 -3.505 1.127 215 H ALA 29 H ALA 29 -11.413 -2.318 -1.472 216 HA ALA 29 HA ALA 29 -11.321 0.426 -1.356 217 HB1 ALA 29 HB1 ALA 29 -9.972 -0.937 -2.899 218 HB2 ALA 29 HB2 ALA 29 -10.754 0.398 -3.748 219 HB3 ALA 29 HB3 ALA 29 -11.400 -1.241 -3.890 220 H ARG 30 H ARG 30 -13.922 -1.517 -2.849 221 HA ARG 30 HA ARG 30 -15.441 0.727 -3.827 222 HB2 ARG 30 HB2 ARG 30 -15.967 -2.232 -3.568 223 HB3 ARG 30 HB3 ARG 30 -17.326 -1.162 -3.875 224 HG2 ARG 30 HG2 ARG 30 -16.464 -2.142 -5.952 225 HG3 ARG 30 HG3 ARG 30 -16.309 -0.386 -5.950 226 HD2 ARG 30 HD2 ARG 30 -13.914 -0.582 -5.421 227 HD3 ARG 30 HD3 ARG 30 -14.061 -2.339 -5.365 228 HE ARG 30 HE ARG 30 -14.460 -2.353 -7.717 229 HH11 ARG 30 HH11 ARG 30 -13.381 0.735 -6.559 230 HH12 ARG 30 HH12 ARG 30 -12.920 1.261 -8.137 231 HH21 ARG 30 HH21 ARG 30 -13.841 -1.657 -9.692 232 HH22 ARG 30 HH22 ARG 30 -13.168 -0.074 -9.878 233 H LYS 31 H LYS 31 -15.495 -1.148 -0.808 234 HA LYS 31 HA LYS 31 -17.907 -0.056 0.269 235 HB2 LYS 31 HB2 LYS 31 -15.516 -1.255 1.740 236 HB3 LYS 31 HB3 LYS 31 -17.083 -0.913 2.476 237 HG2 LYS 31 HG2 LYS 31 -18.098 -2.513 0.763 238 HG3 LYS 31 HG3 LYS 31 -16.450 -2.980 0.342 239 HD2 LYS 31 HD2 LYS 31 -17.696 -3.230 3.113 240 HD3 LYS 31 HD3 LYS 31 -17.551 -4.549 1.954 241 HE2 LYS 31 HE2 LYS 31 -15.109 -4.434 2.091 242 HE3 LYS 31 HE3 LYS 31 -15.210 -3.036 3.160 243 HZ1 LYS 31 HZ1 LYS 31 -16.334 -4.429 4.789 244 HZ2 LYS 31 HZ2 LYS 31 -14.805 -5.039 4.405 245 HZ3 LYS 31 HZ3 LYS 31 -16.193 -5.765 3.768 246 H VAL 32 H VAL 32 -14.564 1.056 0.289 247 HA VAL 32 HA VAL 32 -15.200 3.418 1.944 248 HB VAL 32 HB VAL 32 -12.785 3.841 1.997 249 HG11 VAL 32 HG11 VAL 32 -12.067 1.810 3.227 250 HG12 VAL 32 HG12 VAL 32 -13.457 0.930 2.587 251 HG13 VAL 32 HG13 VAL 32 -13.700 2.306 3.668 252 HG21 VAL 32 HG21 VAL 32 -12.461 1.408 0.188 253 HG22 VAL 32 HG22 VAL 32 -11.144 2.307 0.950 254 HG23 VAL 32 HG23 VAL 32 -12.155 3.084 -0.267 255 H ASN 33 H ASN 33 -15.143 2.579 -1.333 256 HA ASN 33 HA ASN 33 -15.427 3.644 -3.281 257 HB2 ASN 33 HB2 ASN 33 -17.125 4.943 -1.871 258 HB3 ASN 33 HB3 ASN 33 -15.920 6.216 -1.716 259 HD21 ASN 33 HD21 ASN 33 -17.277 7.706 -2.793 260 HD22 ASN 33 HD22 ASN 33 -17.568 7.620 -4.491 261 H LEU 34 H LEU 34 -12.754 3.533 -2.040 262 HA LEU 34 HA LEU 34 -11.333 5.719 -3.459 263 HB2 LEU 34 HB2 LEU 34 -10.286 3.703 -1.418 264 HB3 LEU 34 HB3 LEU 34 -9.335 4.976 -2.168 265 HG LEU 34 HG LEU 34 -11.723 5.468 -0.340 266 HD11 LEU 34 HD11 LEU 34 -10.077 6.167 1.352 267 HD12 LEU 34 HD12 LEU 34 -8.757 5.665 0.291 268 HD13 LEU 34 HD13 LEU 34 -9.891 4.467 0.924 269 HD21 LEU 34 HD21 LEU 34 -11.399 7.276 -1.957 270 HD22 LEU 34 HD22 LEU 34 -9.695 7.406 -1.517 271 HD23 LEU 34 HD23 LEU 34 -10.947 7.819 -0.343 272 H SER 35 H SER 35 -9.386 5.112 -4.684 273 HA SER 35 HA SER 35 -9.653 2.962 -6.505 274 HB2 SER 35 HB2 SER 35 -7.136 4.536 -5.794 275 HB3 SER 35 HB3 SER 35 -7.378 3.587 -7.260 276 HG SER 35 HG SER 35 -9.140 5.050 -7.758 277 H VAL 36 H VAL 36 -8.369 1.028 -6.734 278 HA VAL 36 HA VAL 36 -8.029 -0.625 -4.519 279 HB VAL 36 HB VAL 36 -6.558 -0.806 -7.188 280 HG11 VAL 36 HG11 VAL 36 -6.400 -3.248 -6.758 281 HG12 VAL 36 HG12 VAL 36 -7.095 -3.008 -5.152 282 HG13 VAL 36 HG13 VAL 36 -5.523 -2.307 -5.548 283 HG21 VAL 36 HG21 VAL 36 -8.398 -2.289 -7.917 284 HG22 VAL 36 HG22 VAL 36 -8.979 -0.669 -7.533 285 HG23 VAL 36 HG23 VAL 36 -9.242 -1.992 -6.394 286 H GLU 37 H GLU 37 -5.499 1.061 -6.364 287 HA GLU 37 HA GLU 37 -3.241 0.495 -4.798 288 HB2 GLU 37 HB2 GLU 37 -3.875 2.926 -6.502 289 HB3 GLU 37 HB3 GLU 37 -2.261 2.489 -5.954 290 HG2 GLU 37 HG2 GLU 37 -2.246 0.514 -7.320 291 HG3 GLU 37 HG3 GLU 37 -3.957 0.682 -7.701 292 H SER 38 H SER 38 -5.533 3.229 -4.542 293 HA SER 38 HA SER 38 -4.260 4.714 -2.491 294 HB2 SER 38 HB2 SER 38 -7.182 4.559 -3.303 295 HB3 SER 38 HB3 SER 38 -6.593 5.671 -2.068 296 HG SER 38 HG SER 38 -6.071 5.648 -4.837 297 H THR 39 H THR 39 -6.534 2.019 -2.356 298 HA THR 39 HA THR 39 -7.014 2.077 0.464 299 HB THR 39 HB THR 39 -7.458 -0.155 -1.569 300 HG1 THR 39 HG1 THR 39 -8.898 1.317 -2.148 301 HG21 THR 39 HG21 THR 39 -9.075 -1.090 0.053 302 HG22 THR 39 HG22 THR 39 -8.600 0.126 1.241 303 HG23 THR 39 HG23 THR 39 -7.439 -1.096 0.715 304 H ALA 40 H ALA 40 -4.885 0.055 -1.624 305 HA ALA 40 HA ALA 40 -3.734 -1.601 0.357 306 HB1 ALA 40 HB1 ALA 40 -2.491 -0.647 -2.248 307 HB2 ALA 40 HB2 ALA 40 -3.564 -2.035 -2.066 308 HB3 ALA 40 HB3 ALA 40 -1.973 -2.052 -1.305 309 H LEU 41 H LEU 41 -2.771 1.577 -0.814 310 HA LEU 41 HA LEU 41 -0.339 1.836 0.644 311 HB2 LEU 41 HB2 LEU 41 -0.697 3.026 -1.418 312 HB3 LEU 41 HB3 LEU 41 -2.162 3.765 -0.827 313 HG LEU 41 HG LEU 41 -0.049 5.234 -1.109 314 HD11 LEU 41 HD11 LEU 41 -2.082 6.020 -0.033 315 HD12 LEU 41 HD12 LEU 41 -0.642 6.679 0.733 316 HD13 LEU 41 HD13 LEU 41 -1.534 5.373 1.517 317 HD21 LEU 41 HD21 LEU 41 0.708 4.007 1.559 318 HD22 LEU 41 HD22 LEU 41 1.512 5.350 0.742 319 HD23 LEU 41 HD23 LEU 41 1.550 3.739 0.027 320 H ALA 42 H ALA 42 -3.696 2.909 1.248 321 HA ALA 42 HA ALA 42 -3.242 4.286 3.696 322 HB1 ALA 42 HB1 ALA 42 -5.277 4.603 2.356 323 HB2 ALA 42 HB2 ALA 42 -5.684 4.139 4.009 324 HB3 ALA 42 HB3 ALA 42 -5.786 2.950 2.707 325 H VAL 43 H VAL 43 -3.889 0.872 2.982 326 HA VAL 43 HA VAL 43 -4.112 -0.205 5.567 327 HB VAL 43 HB VAL 43 -3.017 -1.376 2.977 328 HG11 VAL 43 HG11 VAL 43 -3.127 -3.638 3.995 329 HG12 VAL 43 HG12 VAL 43 -3.449 -2.903 5.568 330 HG13 VAL 43 HG13 VAL 43 -1.903 -2.625 4.765 331 HG21 VAL 43 HG21 VAL 43 -5.137 -2.638 2.925 332 HG22 VAL 43 HG22 VAL 43 -5.444 -0.902 3.014 333 HG23 VAL 43 HG23 VAL 43 -5.622 -1.903 4.455 334 H GLY 44 H GLY 44 -1.224 0.718 3.711 335 HA2 GLY 44 HA2 GLY 44 0.792 -0.268 5.432 336 HA3 GLY 44 HA3 GLY 44 0.962 1.072 4.314 337 H TRP 45 H TRP 45 -1.083 2.741 5.567 338 HA TRP 45 HA TRP 45 0.436 3.967 7.681 339 HB2 TRP 45 HB2 TRP 45 -0.945 5.252 6.039 340 HB3 TRP 45 HB3 TRP 45 -2.401 4.584 6.771 341 HD1 TRP 45 HD1 TRP 45 -3.330 5.841 8.906 342 HE1 TRP 45 HE1 TRP 45 -2.599 7.929 10.202 343 HE3 TRP 45 HE3 TRP 45 1.335 6.460 6.892 344 HZ2 TRP 45 HZ2 TRP 45 -0.344 9.609 10.383 345 HZ3 TRP 45 HZ3 TRP 45 2.728 8.325 7.705 346 HH2 TRP 45 HH2 TRP 45 1.905 9.867 9.416 347 H LEU 46 H LEU 46 -2.324 1.787 7.566 348 HA LEU 46 HA LEU 46 -2.834 1.758 10.396 349 HB2 LEU 46 HB2 LEU 46 -3.465 -0.311 8.257 350 HB3 LEU 46 HB3 LEU 46 -4.121 -0.317 9.891 351 HG LEU 46 HG LEU 46 -4.619 1.870 7.826 352 HD11 LEU 46 HD11 LEU 46 -5.703 -0.219 7.158 353 HD12 LEU 46 HD12 LEU 46 -6.887 0.998 7.633 354 HD13 LEU 46 HD13 LEU 46 -6.501 -0.328 8.734 355 HD21 LEU 46 HD21 LEU 46 -6.307 2.705 9.417 356 HD22 LEU 46 HD22 LEU 46 -4.692 2.731 10.116 357 HD23 LEU 46 HD23 LEU 46 -5.832 1.466 10.584 358 H ALA 47 H ALA 47 -0.796 -0.178 8.214 359 HA ALA 47 HA ALA 47 0.121 -2.129 10.028 360 HB1 ALA 47 HB1 ALA 47 1.496 -1.094 7.522 361 HB2 ALA 47 HB2 ALA 47 0.273 -2.364 7.581 362 HB3 ALA 47 HB3 ALA 47 1.842 -2.621 8.343 363 H ARG 48 H ARG 48 1.331 1.172 9.446 364 HA ARG 48 HA ARG 48 3.742 0.865 10.982 365 HB2 ARG 48 HB2 ARG 48 3.973 3.284 10.868 366 HB3 ARG 48 HB3 ARG 48 3.512 2.634 9.311 367 HG2 ARG 48 HG2 ARG 48 2.139 4.454 9.309 368 HG3 ARG 48 HG3 ARG 48 1.067 3.336 10.141 369 HD2 ARG 48 HD2 ARG 48 1.964 4.297 12.331 370 HD3 ARG 48 HD3 ARG 48 2.755 5.544 11.358 371 HE ARG 48 HE ARG 48 0.028 5.442 10.659 372 HH11 ARG 48 HH11 ARG 48 1.987 6.470 13.329 373 HH12 ARG 48 HH12 ARG 48 0.762 7.516 13.947 374 HH21 ARG 48 HH21 ARG 48 -1.511 6.772 11.501 375 HH22 ARG 48 HH22 ARG 48 -1.186 7.678 12.934 376 H GLU 49 H GLU 49 0.471 1.116 11.927 377 HA GLU 49 HA GLU 49 1.184 1.567 14.778 378 HB2 GLU 49 HB2 GLU 49 -1.542 1.634 13.412 379 HB3 GLU 49 HB3 GLU 49 -1.252 1.943 15.124 380 HG2 GLU 49 HG2 GLU 49 0.032 3.939 14.582 381 HG3 GLU 49 HG3 GLU 49 -0.140 3.610 12.857 382 H ASN 50 H ASN 50 0.619 -0.908 12.600 383 HA ASN 50 HA ASN 50 0.061 -3.084 12.619 384 HB2 ASN 50 HB2 ASN 50 0.611 -2.830 15.601 385 HB3 ASN 50 HB3 ASN 50 0.297 -4.369 14.804 386 HD21 ASN 50 HD21 ASN 50 2.599 -1.778 15.207 387 HD22 ASN 50 HD22 ASN 50 3.918 -2.578 14.438 388 H LYS 51 H LYS 51 -2.077 -1.048 12.959 389 HA LYS 51 HA LYS 51 -4.290 -2.249 14.307 390 HB2 LYS 51 HB2 LYS 51 -4.096 -0.179 12.100 391 HB3 LYS 51 HB3 LYS 51 -5.656 -0.758 12.675 392 HG2 LYS 51 HG2 LYS 51 -5.071 0.011 14.961 393 HG3 LYS 51 HG3 LYS 51 -3.555 0.670 14.332 394 HD2 LYS 51 HD2 LYS 51 -4.723 2.293 12.983 395 HD3 LYS 51 HD3 LYS 51 -6.283 1.512 13.267 396 HE2 LYS 51 HE2 LYS 51 -6.066 3.571 14.596 397 HE3 LYS 51 HE3 LYS 51 -6.180 2.159 15.644 398 HZ1 LYS 51 HZ1 LYS 51 -4.499 3.616 16.463 399 HZ2 LYS 51 HZ2 LYS 51 -3.734 3.681 14.961 400 HZ3 LYS 51 HZ3 LYS 51 -3.729 2.239 15.845 401 H VAL 52 H VAL 52 -2.671 -3.124 11.453 402 HA VAL 52 HA VAL 52 -4.748 -5.111 10.790 403 HB VAL 52 HB VAL 52 -4.208 -4.884 8.366 404 HG11 VAL 52 HG11 VAL 52 -5.476 -2.814 7.915 405 HG12 VAL 52 HG12 VAL 52 -5.251 -2.307 9.591 406 HG13 VAL 52 HG13 VAL 52 -6.205 -3.747 9.227 407 HG21 VAL 52 HG21 VAL 52 -1.951 -3.917 8.512 408 HG22 VAL 52 HG22 VAL 52 -2.610 -2.422 9.177 409 HG23 VAL 52 HG23 VAL 52 -2.987 -2.888 7.518 410 H VAL 53 H VAL 53 -3.948 -7.059 9.881 411 HA VAL 53 HA VAL 53 -1.017 -7.517 9.890 412 HB VAL 53 HB VAL 53 -1.401 -9.870 10.671 413 HG11 VAL 53 HG11 VAL 53 -0.715 -8.155 12.315 414 HG12 VAL 53 HG12 VAL 53 -1.773 -9.349 13.067 415 HG13 VAL 53 HG13 VAL 53 -2.408 -7.762 12.631 416 HG21 VAL 53 HG21 VAL 53 -4.262 -8.973 11.181 417 HG22 VAL 53 HG22 VAL 53 -3.566 -10.505 11.714 418 HG23 VAL 53 HG23 VAL 53 -3.740 -10.168 9.992 419 H ILE 54 H ILE 54 -0.245 -8.893 8.239 420 HA ILE 54 HA ILE 54 -2.141 -9.319 5.978 421 HB ILE 54 HB ILE 54 0.764 -8.401 5.826 422 HG12 ILE 54 HG12 ILE 54 -1.754 -6.793 5.235 423 HG13 ILE 54 HG13 ILE 54 -0.849 -6.681 6.740 424 HG21 ILE 54 HG21 ILE 54 0.160 -9.740 3.860 425 HG22 ILE 54 HG22 ILE 54 0.345 -8.044 3.410 426 HG23 ILE 54 HG23 ILE 54 -1.268 -8.736 3.592 427 HD11 ILE 54 HD11 ILE 54 1.082 -5.859 5.509 428 HD12 ILE 54 HD12 ILE 54 -0.347 -4.854 5.265 429 HD13 ILE 54 HD13 ILE 54 0.167 -5.972 4.002 430 H GLU 55 H GLU 55 -2.078 -11.259 4.992 431 HA GLU 55 HA GLU 55 0.033 -13.226 5.701 432 HB2 GLU 55 HB2 GLU 55 -2.963 -13.601 5.341 433 HB3 GLU 55 HB3 GLU 55 -1.841 -14.957 5.309 434 HG2 GLU 55 HG2 GLU 55 -2.135 -13.050 7.643 435 HG3 GLU 55 HG3 GLU 55 -2.975 -14.596 7.509 436 H ARG 56 H ARG 56 1.204 -13.929 4.018 437 HA ARG 56 HA ARG 56 0.135 -13.833 1.271 438 HB2 ARG 56 HB2 ARG 56 2.927 -14.259 2.375 439 HB3 ARG 56 HB3 ARG 56 2.539 -14.681 0.710 440 HG2 ARG 56 HG2 ARG 56 1.775 -12.286 0.381 441 HG3 ARG 56 HG3 ARG 56 2.439 -11.924 1.978 442 HD2 ARG 56 HD2 ARG 56 4.672 -12.403 1.264 443 HD3 ARG 56 HD3 ARG 56 4.115 -13.201 -0.211 444 HE ARG 56 HE ARG 56 3.226 -10.606 -0.406 445 HH11 ARG 56 HH11 ARG 56 6.359 -12.024 -0.025 446 HH12 ARG 56 HH12 ARG 56 7.133 -10.826 -0.995 447 HH21 ARG 56 HH21 ARG 56 4.237 -9.105 -1.671 448 HH22 ARG 56 HH22 ARG 56 5.948 -9.186 -1.905 449 H LYS 57 H LYS 57 -1.191 -15.468 0.935 450 HA LYS 57 HA LYS 57 -0.381 -18.243 1.621 451 HB2 LYS 57 HB2 LYS 57 -2.783 -18.874 1.382 452 HB3 LYS 57 HB3 LYS 57 -2.492 -17.743 2.691 453 HG2 LYS 57 HG2 LYS 57 -3.473 -16.796 -0.012 454 HG3 LYS 57 HG3 LYS 57 -4.592 -17.420 1.201 455 HD2 LYS 57 HD2 LYS 57 -2.695 -15.080 1.660 456 HD3 LYS 57 HD3 LYS 57 -4.385 -14.914 1.171 457 HE2 LYS 57 HE2 LYS 57 -3.432 -16.236 3.741 458 HE3 LYS 57 HE3 LYS 57 -4.082 -14.601 3.609 459 HZ1 LYS 57 HZ1 LYS 57 -5.777 -16.137 4.340 460 HZ2 LYS 57 HZ2 LYS 57 -5.550 -17.104 2.975 461 HZ3 LYS 57 HZ3 LYS 57 -6.171 -15.544 2.805 462 H ASN 58 H ASN 58 0.176 -19.554 0.015 463 HA ASN 58 HA ASN 58 0.851 -20.303 -2.020 464 HB2 ASN 58 HB2 ASN 58 -1.842 -19.234 -2.998 465 HB3 ASN 58 HB3 ASN 58 -0.882 -20.504 -3.750 466 HD21 ASN 58 HD21 ASN 58 -3.016 -19.715 -1.127 467 HD22 ASN 58 HD22 ASN 58 -3.300 -21.334 -0.599 468 H GLY 59 H GLY 59 1.650 -17.590 -1.355 469 HA2 GLY 59 HA2 GLY 59 2.983 -15.998 -2.435 470 HA3 GLY 59 HA3 GLY 59 2.347 -16.514 -3.985 471 H LEU 60 H LEU 60 -0.492 -16.203 -2.840 472 HA LEU 60 HA LEU 60 -0.895 -13.486 -3.749 473 HB2 LEU 60 HB2 LEU 60 -2.866 -15.583 -2.745 474 HB3 LEU 60 HB3 LEU 60 -3.351 -13.994 -3.296 475 HG LEU 60 HG LEU 60 -3.815 -15.488 -5.080 476 HD11 LEU 60 HD11 LEU 60 -2.857 -13.381 -5.811 477 HD12 LEU 60 HD12 LEU 60 -2.450 -14.683 -6.925 478 HD13 LEU 60 HD13 LEU 60 -1.236 -14.082 -5.792 479 HD21 LEU 60 HD21 LEU 60 -2.202 -17.044 -6.083 480 HD22 LEU 60 HD22 LEU 60 -2.483 -17.406 -4.382 481 HD23 LEU 60 HD23 LEU 60 -0.998 -16.589 -4.871 482 H ILE 61 H ILE 61 -1.594 -11.720 -2.560 483 HA ILE 61 HA ILE 61 -1.168 -11.818 0.348 484 HB ILE 61 HB ILE 61 -1.410 -9.481 -1.589 485 HG12 ILE 61 HG12 ILE 61 0.941 -10.697 -0.095 486 HG13 ILE 61 HG13 ILE 61 0.698 -10.664 -1.837 487 HG21 ILE 61 HG21 ILE 61 -0.893 -9.337 1.402 488 HG22 ILE 61 HG22 ILE 61 -2.340 -8.763 0.573 489 HG23 ILE 61 HG23 ILE 61 -0.789 -7.977 0.281 490 HD11 ILE 61 HD11 ILE 61 0.996 -8.230 -1.804 491 HD12 ILE 61 HD12 ILE 61 2.389 -9.102 -1.165 492 HD13 ILE 61 HD13 ILE 61 1.274 -8.300 -0.060 493 H GLU 62 H GLU 62 -2.735 -11.631 1.805 494 HA GLU 62 HA GLU 62 -5.350 -10.437 1.116 495 HB2 GLU 62 HB2 GLU 62 -5.545 -12.920 1.221 496 HB3 GLU 62 HB3 GLU 62 -4.910 -12.901 2.859 497 HG2 GLU 62 HG2 GLU 62 -7.314 -13.175 2.920 498 HG3 GLU 62 HG3 GLU 62 -6.885 -11.607 3.602 499 H ILE 63 H ILE 63 -6.228 -9.083 2.676 500 HA ILE 63 HA ILE 63 -4.439 -8.340 4.899 501 HB ILE 63 HB ILE 63 -4.788 -6.542 3.304 502 HG12 ILE 63 HG12 ILE 63 -5.596 -4.743 4.809 503 HG13 ILE 63 HG13 ILE 63 -6.339 -5.946 5.864 504 HG21 ILE 63 HG21 ILE 63 -7.765 -6.754 3.818 505 HG22 ILE 63 HG22 ILE 63 -6.932 -7.216 2.333 506 HG23 ILE 63 HG23 ILE 63 -6.970 -5.522 2.833 507 HD11 ILE 63 HD11 ILE 63 -4.209 -5.061 6.689 508 HD12 ILE 63 HD12 ILE 63 -3.387 -5.752 5.296 509 HD13 ILE 63 HD13 ILE 63 -4.183 -6.806 6.471 510 H TYR 64 H TYR 64 -5.018 -8.637 6.906 511 HA TYR 64 HA TYR 64 -7.785 -9.363 7.696 512 HB2 TYR 64 HB2 TYR 64 -5.097 -10.404 8.699 513 HB3 TYR 64 HB3 TYR 64 -6.607 -10.715 9.541 514 HD1 TYR 64 HD1 TYR 64 -4.595 -11.533 6.554 515 HD2 TYR 64 HD2 TYR 64 -8.263 -12.284 8.620 516 HE1 TYR 64 HE1 TYR 64 -4.982 -13.519 5.157 517 HE2 TYR 64 HE2 TYR 64 -8.648 -14.264 7.225 518 HH TYR 64 HH TYR 64 -7.992 -15.126 5.038 519 H ASN 65 H ASN 65 -8.194 -9.020 10.071 520 HA ASN 65 HA ASN 65 -7.442 -6.355 10.943 521 HB2 ASN 65 HB2 ASN 65 -9.763 -7.126 11.227 522 HB3 ASN 65 HB3 ASN 65 -9.231 -8.475 12.222 523 HD21 ASN 65 HD21 ASN 65 -9.617 -4.974 12.100 524 HD22 ASN 65 HD22 ASN 65 -9.571 -4.731 13.809 525 H GLU 66 H GLU 66 -6.262 -5.823 12.777 526 HA GLU 66 HA GLU 66 -3.952 -6.975 13.488 527 HB2 GLU 66 HB2 GLU 66 -4.066 -5.648 15.604 528 HB3 GLU 66 HB3 GLU 66 -4.530 -4.759 14.163 529 HG2 GLU 66 HG2 GLU 66 -6.957 -5.202 14.765 530 HG3 GLU 66 HG3 GLU 66 -6.386 -5.861 16.299 531 H GLY 67 H GLY 67 -7.041 -7.962 14.960 532 HA2 GLY 67 HA2 GLY 67 -5.818 -9.667 16.977 533 HA3 GLY 67 HA3 GLY 67 -7.525 -9.522 16.620 534 H HIS 68 H HIS 68 -5.387 -10.261 13.980 535 HA HIS 68 HA HIS 68 -6.078 -13.152 14.027 536 HB2 HIS 68 HB2 HIS 68 -6.164 -11.222 11.658 537 HB3 HIS 68 HB3 HIS 68 -6.240 -12.976 11.490 538 HD1 HIS 68 HD1 HIS 68 -8.190 -10.206 13.232 539 HD2 HIS 68 HD2 HIS 68 -8.754 -13.969 11.581 540 HE1 HIS 68 HE1 HIS 68 -10.649 -10.658 13.437 541 HE2 HIS 68 HE2 HIS 68 -10.980 -12.817 12.199 542 H PHE 69 H PHE 69 -3.646 -11.643 14.849 543 HA PHE 69 HA PHE 69 -1.570 -12.316 12.949 544 HB2 PHE 69 HB2 PHE 69 0.001 -11.464 14.605 545 HB3 PHE 69 HB3 PHE 69 -1.354 -10.356 14.482 546 HD1 PHE 69 HD2 PHE 69 -3.157 -10.409 16.326 547 HD2 PHE 69 HD1 PHE 69 0.601 -12.412 16.732 548 HE1 PHE 69 HE2 PHE 69 -3.466 -10.512 18.762 549 HE2 PHE 69 HE1 PHE 69 0.280 -12.514 19.166 550 HZ PHE 69 HZ PHE 69 -1.752 -11.566 20.184 551 H ASP 70 H ASP 70 0.037 -13.925 13.208 552 HA ASP 70 HA ASP 70 -0.660 -16.335 14.631 553 HB2 ASP 70 HB2 ASP 70 0.611 -16.184 12.383 554 HB3 ASP 70 HB3 ASP 70 2.022 -15.714 13.318 555 H PHE 71 H PHE 71 0.391 -17.186 16.489 556 HA PHE 71 HA PHE 71 1.311 -15.244 18.408 557 HB2 PHE 71 HB2 PHE 71 1.031 -18.267 18.630 558 HB3 PHE 71 HB3 PHE 71 1.401 -17.197 19.981 559 HD1 PHE 71 HD1 PHE 71 -0.306 -15.466 20.699 560 HD2 PHE 71 HD2 PHE 71 -1.244 -18.533 17.864 561 HE1 PHE 71 HE1 PHE 71 -2.706 -15.071 21.058 562 HE2 PHE 71 HE2 PHE 71 -3.641 -18.134 18.235 563 HZ PHE 71 HZ PHE 71 -4.376 -16.404 19.831 564 H SER 72 H SER 72 3.033 -16.684 15.987 565 HA SER 72 HA SER 72 5.606 -16.991 17.230 566 HB2 SER 72 HB2 SER 72 5.121 -18.026 15.033 567 HB3 SER 72 HB3 SER 72 4.847 -16.438 14.318 568 HG SER 72 HG SER 72 6.909 -16.926 13.805 569 H PHE 73 H PHE 73 5.567 -15.069 18.588 570 HA PHE 73 HA PHE 73 5.598 -12.413 17.431 571 HB2 PHE 73 HB2 PHE 73 4.541 -12.728 19.610 572 HB3 PHE 73 HB3 PHE 73 6.018 -13.404 20.282 573 HD1 PHE 73 HD2 PHE 73 4.648 -10.247 18.781 574 HD2 PHE 73 HD1 PHE 73 7.542 -11.974 21.421 575 HE1 PHE 73 HE2 PHE 73 5.331 -8.001 19.513 576 HE2 PHE 73 HE1 PHE 73 8.216 -9.721 22.146 577 HZ PHE 73 HZ PHE 73 7.112 -7.732 21.194 578 H GLY 74 H GLY 74 7.976 -14.410 19.243 579 HA2 GLY 74 HA2 GLY 74 10.307 -14.496 19.005 580 HA3 GLY 74 HA3 GLY 74 10.245 -13.179 17.842 581 H LEU 75 H LEU 75 9.916 -13.936 21.292 582 HA LEU 75 HA LEU 75 9.769 -11.333 22.324 583 HB2 LEU 75 HB2 LEU 75 10.354 -12.387 24.525 584 HB3 LEU 75 HB3 LEU 75 9.038 -13.145 23.659 585 HG LEU 75 HG LEU 75 10.881 -14.881 22.877 586 HD11 LEU 75 HD11 LEU 75 12.646 -15.332 24.507 587 HD12 LEU 75 HD12 LEU 75 12.217 -13.872 25.401 588 HD13 LEU 75 HD13 LEU 75 12.852 -13.747 23.760 589 HD21 LEU 75 HD21 LEU 75 10.369 -16.329 24.784 590 HD22 LEU 75 HD22 LEU 75 8.935 -15.450 24.259 591 HD23 LEU 75 HD23 LEU 75 9.798 -14.937 25.710 592 H GLU 76 H GLU 76 12.598 -13.230 21.511 593 HA GLU 76 HA GLU 76 14.591 -11.684 22.831 594 HB2 GLU 76 HB2 GLU 76 14.899 -14.028 22.087 595 HB3 GLU 76 HB3 GLU 76 14.767 -13.523 20.410 596 HG2 GLU 76 HG2 GLU 76 17.083 -13.955 20.998 597 HG3 GLU 76 HG3 GLU 76 16.849 -12.255 20.597 598 H HIS 77 H HIS 77 12.962 -11.348 19.747 599 HA HIS 77 HA HIS 77 14.827 -9.319 18.720 600 HB2 HIS 77 HB2 HIS 77 12.434 -10.740 17.498 601 HB3 HIS 77 HB3 HIS 77 13.328 -9.468 16.669 602 HD1 HIS 77 HD1 HIS 77 13.318 -13.074 17.176 603 HD2 HIS 77 HD2 HIS 77 16.130 -10.180 16.205 604 HE1 HIS 77 HE1 HIS 77 15.266 -14.329 16.214 605 HE2 HIS 77 HE2 HIS 77 17.008 -12.572 15.788 606 H HIS 78 H HIS 78 12.656 -8.956 21.006 607 HA HIS 78 HA HIS 78 11.020 -6.775 20.126 608 HB2 HIS 78 HB2 HIS 78 10.523 -8.087 22.204 609 HB3 HIS 78 HB3 HIS 78 11.976 -7.440 22.955 610 HD1 HIS 78 HD1 HIS 78 8.406 -6.719 22.393 611 HD2 HIS 78 HD2 HIS 78 11.780 -4.588 23.569 612 HE1 HIS 78 HE1 HIS 78 7.544 -4.605 23.432 613 HE2 HIS 78 HE2 HIS 78 9.595 -3.304 24.074 614 H HIS 79 H HIS 79 12.382 -5.399 18.923 615 HA HIS 79 HA HIS 79 14.881 -4.373 19.892 616 HB2 HIS 79 HB2 HIS 79 13.194 -3.461 17.528 617 HB3 HIS 79 HB3 HIS 79 14.849 -2.948 17.844 618 HD1 HIS 79 HD1 HIS 79 13.687 -4.633 15.325 619 HD2 HIS 79 HD2 HIS 79 16.019 -6.061 18.456 620 HE1 HIS 79 HE1 HIS 79 14.829 -6.673 14.432 621 HE2 HIS 79 HE2 HIS 79 16.370 -7.405 16.271 622 H HIS 80 H HIS 80 15.378 -2.054 20.087 623 HA HIS 80 HA HIS 80 13.242 -0.519 21.475 624 HB2 HIS 80 HB2 HIS 80 16.180 -0.527 22.289 625 HB3 HIS 80 HB3 HIS 80 14.807 0.090 23.203 626 HD1 HIS 80 HD1 HIS 80 16.775 -2.956 22.553 627 HD2 HIS 80 HD2 HIS 80 13.191 -2.009 24.420 628 HE1 HIS 80 HE1 HIS 80 16.147 -4.999 23.858 629 HE2 HIS 80 HE2 HIS 80 14.045 -4.362 25.066 630 H HIS 81 H HIS 81 15.192 1.749 21.921 631 HA HIS 81 HA HIS 81 14.783 3.139 19.440 632 HB2 HIS 81 HB2 HIS 81 16.145 3.926 22.034 633 HB3 HIS 81 HB3 HIS 81 16.084 5.013 20.647 634 HD1 HIS 81 HD1 HIS 81 14.146 3.967 23.557 635 HD2 HIS 81 HD2 HIS 81 13.347 5.694 19.867 636 HE1 HIS 81 HE1 HIS 81 11.832 4.907 23.750 637 HE2 HIS 81 HE2 HIS 81 11.307 5.781 21.455 638 H HIS 82 H HIS 82 17.395 1.175 20.512 639 HA HIS 82 HA HIS 82 19.161 2.205 18.347 640 HB2 HIS 82 HB2 HIS 82 19.826 0.499 20.790 641 HB3 HIS 82 HB3 HIS 82 20.970 0.823 19.491 642 HD1 HIS 82 HD1 HIS 82 22.352 2.881 19.731 643 HD2 HIS 82 HD2 HIS 82 19.014 2.984 22.195 644 HE1 HIS 82 HE1 HIS 82 22.650 4.904 21.178 645 HE2 HIS 82 HE2 HIS 82 20.707 4.851 22.769 646 H1 MET 1 H MET 1 2.784 -12.070 11.140 647 HA MET 1 HA MET 1 5.653 -12.408 11.000 648 HB2 MET 1 HB2 MET 1 4.144 -14.319 10.586 649 HB3 MET 1 HB3 MET 1 3.429 -13.486 9.211 650 HG2 MET 1 HG2 MET 1 5.011 -15.232 8.510 651 HG3 MET 1 HG3 MET 1 5.555 -13.633 7.997 652 HE1 MET 1 HE1 MET 1 7.524 -16.149 7.997 653 HE2 MET 1 HE2 MET 1 8.965 -15.458 8.742 654 HE3 MET 1 HE3 MET 1 8.054 -14.523 7.557 655 H ASP 2 H ASP 2 3.220 -10.507 9.315 656 HA ASP 2 HA ASP 2 4.565 -10.128 6.870 657 HB2 ASP 2 HB2 ASP 2 2.980 -8.332 6.408 658 HB3 ASP 2 HB3 ASP 2 2.165 -9.726 7.106 659 H LYS 3 H LYS 3 5.112 -8.520 9.937 660 HA LYS 3 HA LYS 3 6.224 -6.068 9.228 661 HB2 LYS 3 HB2 LYS 3 7.165 -7.973 11.404 662 HB3 LYS 3 HB3 LYS 3 7.628 -6.281 11.302 663 HG2 LYS 3 HG2 LYS 3 4.793 -7.291 11.726 664 HG3 LYS 3 HG3 LYS 3 5.876 -6.744 12.999 665 HD2 LYS 3 HD2 LYS 3 4.676 -4.798 12.697 666 HD3 LYS 3 HD3 LYS 3 5.945 -4.511 11.510 667 HE2 LYS 3 HE2 LYS 3 3.740 -3.950 10.592 668 HE3 LYS 3 HE3 LYS 3 4.429 -5.316 9.714 669 HZ1 LYS 3 HZ1 LYS 3 2.122 -5.722 10.166 670 HZ2 LYS 3 HZ2 LYS 3 2.338 -5.442 11.825 671 HZ3 LYS 3 HZ3 LYS 3 3.044 -6.793 11.096 672 H LYS 4 H LYS 4 7.759 -9.248 9.143 673 HA LYS 4 HA LYS 4 10.391 -8.388 8.357 674 HB2 LYS 4 HB2 LYS 4 9.042 -11.115 8.177 675 HB3 LYS 4 HB3 LYS 4 10.762 -10.824 7.918 676 HG2 LYS 4 HG2 LYS 4 11.001 -10.074 10.243 677 HG3 LYS 4 HG3 LYS 4 9.272 -10.326 10.515 678 HD2 LYS 4 HD2 LYS 4 9.519 -12.730 10.185 679 HD3 LYS 4 HD3 LYS 4 11.209 -12.538 9.704 680 HE2 LYS 4 HE2 LYS 4 10.076 -11.921 12.458 681 HE3 LYS 4 HE3 LYS 4 11.007 -13.355 12.025 682 HZ1 LYS 4 HZ1 LYS 4 12.884 -11.918 11.485 683 HZ2 LYS 4 HZ2 LYS 4 12.399 -11.717 13.093 684 HZ3 LYS 4 HZ3 LYS 4 11.994 -10.551 11.937 685 H ILE 5 H ILE 5 7.645 -9.861 6.671 686 HA ILE 5 HA ILE 5 8.719 -10.154 4.103 687 HB ILE 5 HB ILE 5 5.800 -9.701 4.878 688 HG12 ILE 5 HG12 ILE 5 7.324 -12.329 4.551 689 HG13 ILE 5 HG13 ILE 5 6.871 -11.612 6.093 690 HG21 ILE 5 HG21 ILE 5 6.932 -10.970 2.355 691 HG22 ILE 5 HG22 ILE 5 6.116 -9.408 2.456 692 HG23 ILE 5 HG23 ILE 5 5.222 -10.892 2.784 693 HD11 ILE 5 HD11 ILE 5 5.382 -13.422 5.516 694 HD12 ILE 5 HD12 ILE 5 4.975 -12.654 3.982 695 HD13 ILE 5 HD13 ILE 5 4.495 -11.899 5.506 696 H VAL 6 H VAL 6 6.461 -7.581 5.175 697 HA VAL 6 HA VAL 6 6.505 -6.018 2.858 698 HB VAL 6 HB VAL 6 5.386 -4.262 4.141 699 HG11 VAL 6 HG11 VAL 6 4.055 -6.242 3.580 700 HG12 VAL 6 HG12 VAL 6 3.526 -5.556 5.116 701 HG13 VAL 6 HG13 VAL 6 4.517 -7.018 5.102 702 HG21 VAL 6 HG21 VAL 6 5.153 -4.353 6.615 703 HG22 VAL 6 HG22 VAL 6 6.845 -4.193 6.143 704 HG23 VAL 6 HG23 VAL 6 6.223 -5.756 6.672 705 H GLY 7 H GLY 7 8.709 -5.996 5.615 706 HA2 GLY 7 HA2 GLY 7 10.141 -3.602 5.034 707 HA3 GLY 7 HA3 GLY 7 10.739 -4.968 5.968 708 H ALA 8 H ALA 8 10.694 -6.997 4.112 709 HA ALA 8 HA ALA 8 13.055 -6.664 2.592 710 HB1 ALA 8 HB1 ALA 8 12.566 -8.908 1.710 711 HB2 ALA 8 HB2 ALA 8 10.913 -8.805 2.329 712 HB3 ALA 8 HB3 ALA 8 12.278 -8.842 3.449 713 H ASN 9 H ASN 9 9.619 -6.643 1.607 714 HA ASN 9 HA ASN 9 10.023 -6.258 -1.181 715 HB2 ASN 9 HB2 ASN 9 7.620 -5.643 0.589 716 HB3 ASN 9 HB3 ASN 9 7.606 -5.445 -1.161 717 HD21 ASN 9 HD21 ASN 9 7.497 -7.732 1.438 718 HD22 ASN 9 HD22 ASN 9 7.203 -9.125 0.478 719 H ALA 10 H ALA 10 9.714 -3.990 1.544 720 HA ALA 10 HA ALA 10 9.227 -1.630 0.001 721 HB1 ALA 10 HB1 ALA 10 8.493 -1.879 2.341 722 HB2 ALA 10 HB2 ALA 10 9.494 -0.440 2.129 723 HB3 ALA 10 HB3 ALA 10 10.176 -1.890 2.874 724 H GLY 11 H GLY 11 12.154 -3.056 1.428 725 HA2 GLY 11 HA2 GLY 11 13.973 -0.932 0.990 726 HA3 GLY 11 HA3 GLY 11 14.397 -2.631 1.146 727 H LYS 12 H LYS 12 13.001 -3.641 -1.072 728 HA LYS 12 HA LYS 12 14.771 -3.144 -3.246 729 HB2 LYS 12 HB2 LYS 12 13.733 -5.338 -2.874 730 HB3 LYS 12 HB3 LYS 12 12.129 -4.650 -3.126 731 HG2 LYS 12 HG2 LYS 12 12.727 -4.155 -5.483 732 HG3 LYS 12 HG3 LYS 12 14.319 -4.879 -5.226 733 HD2 LYS 12 HD2 LYS 12 11.668 -6.345 -4.911 734 HD3 LYS 12 HD3 LYS 12 12.678 -6.403 -6.357 735 HE2 LYS 12 HE2 LYS 12 13.501 -7.366 -3.593 736 HE3 LYS 12 HE3 LYS 12 12.995 -8.387 -4.938 737 HZ1 LYS 12 HZ1 LYS 12 14.886 -7.623 -6.209 738 HZ2 LYS 12 HZ2 LYS 12 15.395 -8.295 -4.742 739 HZ3 LYS 12 HZ3 LYS 12 15.375 -6.618 -4.941 740 H VAL 13 H VAL 13 11.322 -2.300 -2.716 741 HA VAL 13 HA VAL 13 10.788 -0.980 -5.141 742 HB VAL 13 HB VAL 13 9.546 -0.571 -2.385 743 HG11 VAL 13 HG11 VAL 13 7.621 0.499 -3.548 744 HG12 VAL 13 HG12 VAL 13 8.527 0.457 -5.062 745 HG13 VAL 13 HG13 VAL 13 9.104 1.444 -3.718 746 HG21 VAL 13 HG21 VAL 13 9.250 -2.846 -3.317 747 HG22 VAL 13 HG22 VAL 13 8.558 -2.162 -4.789 748 HG23 VAL 13 HG23 VAL 13 7.709 -1.986 -3.250 749 H TRP 14 H TRP 14 11.962 0.342 -2.056 750 HA TRP 14 HA TRP 14 12.072 3.060 -2.896 751 HB2 TRP 14 HB2 TRP 14 12.016 2.198 -0.458 752 HB3 TRP 14 HB3 TRP 14 13.752 1.952 -0.615 753 HD1 TRP 14 HD1 TRP 14 11.127 4.791 -0.502 754 HE1 TRP 14 HE1 TRP 14 12.337 7.010 -0.040 755 HE3 TRP 14 HE3 TRP 14 15.931 3.152 -0.781 756 HZ2 TRP 14 HZ2 TRP 14 14.984 7.944 0.200 757 HZ3 TRP 14 HZ3 TRP 14 17.773 4.761 -0.413 758 HH2 TRP 14 HH2 TRP 14 17.299 7.116 0.066 759 H HIS 15 H HIS 15 14.420 0.427 -3.013 760 HA HIS 15 HA HIS 15 16.748 1.836 -3.716 761 HB2 HIS 15 HB2 HIS 15 16.517 -0.657 -3.142 762 HB3 HIS 15 HB3 HIS 15 16.009 -0.905 -4.808 763 HD1 HIS 15 HD1 HIS 15 18.962 -0.662 -2.684 764 HD2 HIS 15 HD2 HIS 15 18.144 -0.233 -6.737 765 HE1 HIS 15 HE1 HIS 15 21.182 -0.799 -3.830 766 HE2 HIS 15 HE2 HIS 15 20.663 -0.619 -6.280 767 H ALA 16 H ALA 16 14.015 0.796 -5.652 768 HA ALA 16 HA ALA 16 15.005 1.587 -8.229 769 HB1 ALA 16 HB1 ALA 16 12.152 1.058 -7.339 770 HB2 ALA 16 HB2 ALA 16 13.271 -0.147 -7.978 771 HB3 ALA 16 HB3 ALA 16 12.715 1.173 -9.011 772 H LEU 17 H LEU 17 13.246 3.204 -5.656 773 HA LEU 17 HA LEU 17 12.366 5.501 -7.119 774 HB2 LEU 17 HB2 LEU 17 12.666 4.974 -4.150 775 HB3 LEU 17 HB3 LEU 17 11.963 6.453 -4.793 776 HG LEU 17 HG LEU 17 10.829 3.682 -5.364 777 HD11 LEU 17 HD11 LEU 17 10.712 4.149 -2.952 778 HD12 LEU 17 HD12 LEU 17 9.112 4.140 -3.697 779 HD13 LEU 17 HD13 LEU 17 9.882 5.675 -3.283 780 HD21 LEU 17 HD21 LEU 17 10.261 5.374 -7.047 781 HD22 LEU 17 HD22 LEU 17 9.670 6.461 -5.787 782 HD23 LEU 17 HD23 LEU 17 8.837 4.934 -6.105 783 H ASN 18 H ASN 18 15.255 4.922 -5.026 784 HA ASN 18 HA ASN 18 16.238 7.616 -5.387 785 HB2 ASN 18 HB2 ASN 18 18.267 6.884 -4.246 786 HB3 ASN 18 HB3 ASN 18 16.849 6.284 -3.400 787 HD21 ASN 18 HD21 ASN 18 19.487 5.331 -5.546 788 HD22 ASN 18 HD22 ASN 18 19.448 3.662 -5.116 789 H GLU 19 H GLU 19 16.322 4.788 -7.345 790 HA GLU 19 HA GLU 19 18.418 5.712 -9.143 791 HB2 GLU 19 HB2 GLU 19 18.026 3.324 -9.019 792 HB3 GLU 19 HB3 GLU 19 16.305 3.517 -9.312 793 HG2 GLU 19 HG2 GLU 19 17.408 2.600 -11.275 794 HG3 GLU 19 HG3 GLU 19 16.752 4.194 -11.631 795 H ALA 20 H ALA 20 14.861 5.683 -9.060 796 HA ALA 20 HA ALA 20 14.593 8.036 -10.710 797 HB1 ALA 20 HB1 ALA 20 13.577 5.394 -11.827 798 HB2 ALA 20 HB2 ALA 20 14.931 6.327 -12.465 799 HB3 ALA 20 HB3 ALA 20 13.298 6.992 -12.529 800 H ASP 21 H ASP 21 13.351 8.941 -9.083 801 HA ASP 21 HA ASP 21 10.991 7.611 -8.005 802 HB2 ASP 21 HB2 ASP 21 10.723 9.752 -6.695 803 HB3 ASP 21 HB3 ASP 21 12.268 8.946 -6.454 804 H GLY 22 H GLY 22 8.842 8.659 -8.071 805 HA2 GLY 22 HA2 GLY 22 7.106 9.857 -9.055 806 HA3 GLY 22 HA3 GLY 22 8.250 10.586 -10.174 807 H ILE 23 H ILE 23 6.810 7.414 -9.411 808 HA ILE 23 HA ILE 23 6.194 6.896 -12.239 809 HB ILE 23 HB ILE 23 8.449 5.971 -12.011 810 HG12 ILE 23 HG12 ILE 23 6.376 3.733 -12.037 811 HG13 ILE 23 HG13 ILE 23 6.848 4.706 -13.423 812 HG21 ILE 23 HG21 ILE 23 8.560 5.684 -9.582 813 HG22 ILE 23 HG22 ILE 23 9.034 4.196 -10.403 814 HG23 ILE 23 HG23 ILE 23 7.433 4.326 -9.672 815 HD11 ILE 23 HD11 ILE 23 9.110 3.743 -13.293 816 HD12 ILE 23 HD12 ILE 23 7.855 2.528 -13.522 817 HD13 ILE 23 HD13 ILE 23 8.587 2.742 -11.933 818 H SER 24 H SER 24 4.353 5.621 -12.525 819 HA SER 24 HA SER 24 2.542 5.248 -10.385 820 HB2 SER 24 HB2 SER 24 2.484 3.934 -13.135 821 HB3 SER 24 HB3 SER 24 1.121 4.053 -12.020 822 HG SER 24 HG SER 24 0.972 6.179 -12.393 823 H ILE 25 H ILE 25 1.791 3.391 -9.340 824 HA ILE 25 HA ILE 25 3.682 1.670 -8.299 825 HB ILE 25 HB ILE 25 0.667 1.258 -8.362 826 HG12 ILE 25 HG12 ILE 25 2.461 2.595 -6.292 827 HG13 ILE 25 HG13 ILE 25 1.351 3.416 -7.382 828 HG21 ILE 25 HG21 ILE 25 2.695 -0.048 -6.506 829 HG22 ILE 25 HG22 ILE 25 1.764 -0.861 -7.768 830 HG23 ILE 25 HG23 ILE 25 0.939 -0.178 -6.368 831 HD11 ILE 25 HD11 ILE 25 0.596 1.555 -5.139 832 HD12 ILE 25 HD12 ILE 25 -0.533 2.333 -6.247 833 HD13 ILE 25 HD13 ILE 25 0.450 3.309 -5.159 834 HA PRO 26 HA PRO 26 2.112 -2.094 -10.962 835 HB2 PRO 26 HB2 PRO 26 0.865 -1.660 -13.388 836 HB3 PRO 26 HB3 PRO 26 -0.008 -1.816 -11.858 837 HG2 PRO 26 HG2 PRO 26 0.804 0.690 -13.322 838 HG3 PRO 26 HG3 PRO 26 -0.752 0.292 -12.558 839 HD2 PRO 26 HD2 PRO 26 1.076 1.869 -11.328 840 HD3 PRO 26 HD3 PRO 26 0.028 0.764 -10.410 841 H GLU 27 H GLU 27 3.442 0.719 -12.596 842 HA GLU 27 HA GLU 27 4.998 -0.689 -14.592 843 HB2 GLU 27 HB2 GLU 27 5.401 2.112 -13.443 844 HB3 GLU 27 HB3 GLU 27 6.107 1.489 -14.938 845 HG2 GLU 27 HG2 GLU 27 3.802 1.291 -15.885 846 HG3 GLU 27 HG3 GLU 27 3.168 2.029 -14.411 847 H LEU 28 H LEU 28 5.702 1.043 -11.625 848 HA LEU 28 HA LEU 28 8.337 0.397 -11.066 849 HB2 LEU 28 HB2 LEU 28 7.053 2.123 -9.941 850 HB3 LEU 28 HB3 LEU 28 5.917 0.940 -9.321 851 HG LEU 28 HG LEU 28 7.697 0.038 -7.835 852 HD11 LEU 28 HD11 LEU 28 9.762 1.328 -7.456 853 HD12 LEU 28 HD12 LEU 28 9.371 2.360 -8.836 854 HD13 LEU 28 HD13 LEU 28 9.702 0.642 -9.080 855 HD21 LEU 28 HD21 LEU 28 7.122 2.999 -7.526 856 HD22 LEU 28 HD22 LEU 28 7.621 1.901 -6.233 857 HD23 LEU 28 HD23 LEU 28 6.063 1.671 -7.033 858 H ALA 29 H ALA 29 5.392 -1.438 -10.405 859 HA ALA 29 HA ALA 29 6.346 -3.426 -8.667 860 HB1 ALA 29 HB1 ALA 29 4.316 -4.673 -9.275 861 HB2 ALA 29 HB2 ALA 29 4.064 -3.610 -10.664 862 HB3 ALA 29 HB3 ALA 29 3.958 -2.964 -9.025 863 H ARG 30 H ARG 30 6.215 -3.375 -12.230 864 HA ARG 30 HA ARG 30 7.177 -6.055 -12.621 865 HB2 ARG 30 HB2 ARG 30 6.969 -3.697 -14.537 866 HB3 ARG 30 HB3 ARG 30 7.474 -5.317 -15.023 867 HG2 ARG 30 HG2 ARG 30 5.255 -6.173 -14.140 868 HG3 ARG 30 HG3 ARG 30 4.756 -4.488 -13.947 869 HD2 ARG 30 HD2 ARG 30 4.898 -4.108 -16.327 870 HD3 ARG 30 HD3 ARG 30 5.702 -5.660 -16.589 871 HE ARG 30 HE ARG 30 2.887 -5.425 -15.669 872 HH11 ARG 30 HH11 ARG 30 5.249 -6.969 -17.697 873 HH12 ARG 30 HH12 ARG 30 4.095 -8.068 -18.360 874 HH21 ARG 30 HH21 ARG 30 1.455 -6.862 -16.527 875 HH22 ARG 30 HH22 ARG 30 1.976 -8.014 -17.704 876 H LYS 31 H LYS 31 8.729 -2.936 -12.250 877 HA LYS 31 HA LYS 31 11.354 -3.704 -13.149 878 HB2 LYS 31 HB2 LYS 31 10.498 -1.384 -11.357 879 HB3 LYS 31 HB3 LYS 31 12.073 -1.546 -12.139 880 HG2 LYS 31 HG2 LYS 31 10.927 -1.458 -14.368 881 HG3 LYS 31 HG3 LYS 31 9.392 -1.203 -13.534 882 HD2 LYS 31 HD2 LYS 31 10.252 0.934 -14.331 883 HD3 LYS 31 HD3 LYS 31 10.290 0.912 -12.567 884 HE2 LYS 31 HE2 LYS 31 12.698 0.459 -12.597 885 HE3 LYS 31 HE3 LYS 31 12.684 0.351 -14.358 886 HZ1 LYS 31 HZ1 LYS 31 12.078 2.676 -14.463 887 HZ2 LYS 31 HZ2 LYS 31 13.505 2.477 -13.577 888 HZ3 LYS 31 HZ3 LYS 31 12.053 2.773 -12.776 889 H VAL 32 H VAL 32 9.708 -3.683 -10.013 890 HA VAL 32 HA VAL 32 12.078 -4.751 -8.609 891 HB VAL 32 HB VAL 32 10.813 -4.411 -6.532 892 HG11 VAL 32 HG11 VAL 32 10.710 -1.961 -8.343 893 HG12 VAL 32 HG12 VAL 32 12.107 -2.514 -7.414 894 HG13 VAL 32 HG13 VAL 32 10.668 -1.937 -6.576 895 HG21 VAL 32 HG21 VAL 32 8.577 -3.331 -6.512 896 HG22 VAL 32 HG22 VAL 32 8.529 -4.908 -7.301 897 HG23 VAL 32 HG23 VAL 32 8.512 -3.439 -8.275 898 H ASN 33 H ASN 33 9.713 -6.078 -10.450 899 HA ASN 33 HA ASN 33 8.900 -8.153 -10.830 900 HB2 ASN 33 HB2 ASN 33 11.140 -8.999 -8.944 901 HB3 ASN 33 HB3 ASN 33 10.191 -10.129 -9.907 902 HD21 ASN 33 HD21 ASN 33 13.062 -9.592 -9.982 903 HD22 ASN 33 HD22 ASN 33 13.413 -9.115 -11.602 904 H LEU 34 H LEU 34 7.978 -6.606 -8.325 905 HA LEU 34 HA LEU 34 6.686 -8.789 -6.795 906 HB2 LEU 34 HB2 LEU 34 6.835 -5.804 -6.175 907 HB3 LEU 34 HB3 LEU 34 6.217 -7.058 -5.107 908 HG LEU 34 HG LEU 34 9.122 -6.800 -5.997 909 HD11 LEU 34 HD11 LEU 34 7.888 -6.094 -3.315 910 HD12 LEU 34 HD12 LEU 34 8.503 -4.957 -4.519 911 HD13 LEU 34 HD13 LEU 34 9.610 -6.062 -3.711 912 HD21 LEU 34 HD21 LEU 34 8.517 -9.129 -5.547 913 HD22 LEU 34 HD22 LEU 34 7.884 -8.682 -3.961 914 HD23 LEU 34 HD23 LEU 34 9.609 -8.518 -4.304 915 H SER 35 H SER 35 4.375 -8.646 -6.380 916 HA SER 35 HA SER 35 2.700 -7.857 -8.521 917 HB2 SER 35 HB2 SER 35 1.927 -8.354 -5.604 918 HB3 SER 35 HB3 SER 35 0.804 -8.311 -6.968 919 HG SER 35 HG SER 35 1.387 -10.440 -6.434 920 H VAL 36 H VAL 36 1.127 -6.135 -8.654 921 HA VAL 36 HA VAL 36 1.678 -3.531 -7.946 922 HB VAL 36 HB VAL 36 -1.002 -4.909 -8.352 923 HG11 VAL 36 HG11 VAL 36 -0.553 -1.918 -8.087 924 HG12 VAL 36 HG12 VAL 36 -1.593 -2.955 -7.090 925 HG13 VAL 36 HG13 VAL 36 -2.009 -2.646 -8.780 926 HG21 VAL 36 HG21 VAL 36 0.654 -3.195 -10.222 927 HG22 VAL 36 HG22 VAL 36 -0.926 -3.888 -10.598 928 HG23 VAL 36 HG23 VAL 36 0.455 -4.946 -10.302 929 H GLU 37 H GLU 37 -0.346 -5.796 -6.159 930 HA GLU 37 HA GLU 37 -1.064 -4.090 -4.006 931 HB2 GLU 37 HB2 GLU 37 -1.034 -7.132 -3.909 932 HB3 GLU 37 HB3 GLU 37 -2.039 -6.039 -2.967 933 HG2 GLU 37 HG2 GLU 37 -3.562 -6.767 -4.557 934 HG3 GLU 37 HG3 GLU 37 -2.981 -5.302 -5.310 935 H SER 38 H SER 38 1.554 -6.465 -4.402 936 HA SER 38 HA SER 38 2.711 -6.340 -1.827 937 HB2 SER 38 HB2 SER 38 4.080 -6.867 -4.501 938 HB3 SER 38 HB3 SER 38 4.786 -7.206 -2.917 939 HG SER 38 HG SER 38 3.625 -8.957 -4.147 940 H THR 39 H THR 39 3.221 -4.374 -4.722 941 HA THR 39 HA THR 39 5.499 -2.923 -3.731 942 HB THR 39 HB THR 39 3.737 -2.427 -6.175 943 HG1 THR 39 HG1 THR 39 4.800 -4.190 -6.739 944 HG21 THR 39 HG21 THR 39 6.467 -1.249 -5.528 945 HG22 THR 39 HG22 THR 39 4.945 -0.352 -5.588 946 HG23 THR 39 HG23 THR 39 5.606 -1.071 -7.059 947 H ALA 40 H ALA 40 2.045 -2.083 -4.233 948 HA ALA 40 HA ALA 40 2.077 0.630 -3.487 949 HB1 ALA 40 HB1 ALA 40 0.195 -0.459 -4.655 950 HB2 ALA 40 HB2 ALA 40 -0.363 0.380 -3.207 951 HB3 ALA 40 HB3 ALA 40 -0.187 -1.379 -3.200 952 H LEU 41 H LEU 41 1.383 -2.245 -1.563 953 HA LEU 41 HA LEU 41 0.996 -0.922 0.935 954 HB2 LEU 41 HB2 LEU 41 -0.139 -2.972 0.467 955 HB3 LEU 41 HB3 LEU 41 1.341 -3.803 0.067 956 HG LEU 41 HG LEU 41 0.130 -4.422 2.263 957 HD11 LEU 41 HD11 LEU 41 2.347 -5.237 1.692 958 HD12 LEU 41 HD12 LEU 41 2.199 -4.922 3.417 959 HD13 LEU 41 HD13 LEU 41 3.084 -3.792 2.390 960 HD21 LEU 41 HD21 LEU 41 0.612 -3.121 4.247 961 HD22 LEU 41 HD22 LEU 41 -0.253 -2.116 3.084 962 HD23 LEU 41 HD23 LEU 41 1.491 -1.916 3.302 963 H ALA 42 H ALA 42 3.822 -2.488 -0.603 964 HA ALA 42 HA ALA 42 5.643 -2.266 1.562 965 HB1 ALA 42 HB1 ALA 42 6.116 -3.640 -0.415 966 HB2 ALA 42 HB2 ALA 42 7.420 -2.487 -0.131 967 HB3 ALA 42 HB3 ALA 42 6.245 -2.192 -1.416 968 H VAL 43 H VAL 43 4.739 0.045 -0.988 969 HA VAL 43 HA VAL 43 6.390 2.208 -0.213 970 HB VAL 43 HB VAL 43 3.697 2.192 -1.644 971 HG11 VAL 43 HG11 VAL 43 5.635 4.514 -1.353 972 HG12 VAL 43 HG12 VAL 43 4.023 4.409 -0.640 973 HG13 VAL 43 HG13 VAL 43 4.209 4.497 -2.391 974 HG21 VAL 43 HG21 VAL 43 5.014 2.530 -3.700 975 HG22 VAL 43 HG22 VAL 43 5.511 1.047 -2.880 976 HG23 VAL 43 HG23 VAL 43 6.511 2.496 -2.763 977 H GLY 44 H GLY 44 3.231 1.086 0.971 978 HA2 GLY 44 HA2 GLY 44 2.629 3.194 2.765 979 HA3 GLY 44 HA3 GLY 44 2.082 1.529 2.911 980 H TRP 45 H TRP 45 4.694 0.324 3.148 981 HA TRP 45 HA TRP 45 5.366 0.767 5.908 982 HB2 TRP 45 HB2 TRP 45 5.514 -1.463 4.797 983 HB3 TRP 45 HB3 TRP 45 6.832 -0.870 3.796 984 HD1 TRP 45 HD1 TRP 45 9.255 -1.068 4.814 985 HE1 TRP 45 HE1 TRP 45 10.199 -1.881 7.054 986 HE3 TRP 45 HE3 TRP 45 4.884 -1.454 7.472 987 HZ2 TRP 45 HZ2 TRP 45 9.253 -2.594 9.607 988 HZ3 TRP 45 HZ3 TRP 45 4.997 -2.209 9.817 989 HH2 TRP 45 HH2 TRP 45 7.141 -2.768 10.863 990 H LEU 46 H LEU 46 6.761 1.813 2.818 991 HA LEU 46 HA LEU 46 9.039 3.176 3.904 992 HB2 LEU 46 HB2 LEU 46 7.518 3.597 1.302 993 HB3 LEU 46 HB3 LEU 46 9.045 4.383 1.686 994 HG LEU 46 HG LEU 46 8.662 1.370 1.434 995 HD11 LEU 46 HD11 LEU 46 9.872 1.521 -0.684 996 HD12 LEU 46 HD12 LEU 46 9.928 3.281 -0.555 997 HD13 LEU 46 HD13 LEU 46 8.376 2.454 -0.741 998 HD21 LEU 46 HD21 LEU 46 11.115 1.246 1.514 999 HD22 LEU 46 HD22 LEU 46 10.470 1.967 2.986 1000 HD23 LEU 46 HD23 LEU 46 11.212 2.994 1.756 1001 H ALA 47 H ALA 47 5.690 4.120 3.258 1002 HA ALA 47 HA ALA 47 5.820 6.837 4.011 1003 HB1 ALA 47 HB1 ALA 47 3.364 6.721 4.178 1004 HB2 ALA 47 HB2 ALA 47 3.435 4.957 4.123 1005 HB3 ALA 47 HB3 ALA 47 3.939 5.903 2.722 1006 H ARG 48 H ARG 48 5.466 3.877 5.970 1007 HA ARG 48 HA ARG 48 5.012 4.958 8.508 1008 HB2 ARG 48 HB2 ARG 48 5.093 2.574 8.283 1009 HB3 ARG 48 HB3 ARG 48 6.696 2.617 7.562 1010 HG2 ARG 48 HG2 ARG 48 7.631 3.358 9.758 1011 HG3 ARG 48 HG3 ARG 48 6.019 3.201 10.461 1012 HD2 ARG 48 HD2 ARG 48 6.018 0.807 10.044 1013 HD3 ARG 48 HD3 ARG 48 7.539 0.925 9.152 1014 HE ARG 48 HE ARG 48 8.636 1.541 11.236 1015 HH11 ARG 48 HH11 ARG 48 5.497 0.097 11.604 1016 HH12 ARG 48 HH12 ARG 48 5.835 -0.466 13.200 1017 HH21 ARG 48 HH21 ARG 48 9.028 0.798 13.273 1018 HH22 ARG 48 HH22 ARG 48 7.803 -0.066 14.139 1019 H GLU 49 H GLU 49 8.124 4.447 6.845 1020 HA GLU 49 HA GLU 49 9.687 5.877 8.820 1021 HB2 GLU 49 HB2 GLU 49 10.464 4.802 6.075 1022 HB3 GLU 49 HB3 GLU 49 11.588 5.366 7.309 1023 HG2 GLU 49 HG2 GLU 49 9.778 2.933 7.493 1024 HG3 GLU 49 HG3 GLU 49 11.523 2.924 7.248 1025 H ASN 50 H ASN 50 7.762 6.839 6.253 1026 HA ASN 50 HA ASN 50 7.252 8.759 5.212 1027 HB2 ASN 50 HB2 ASN 50 7.508 9.633 7.614 1028 HB3 ASN 50 HB3 ASN 50 9.108 10.201 7.156 1029 HD21 ASN 50 HD21 ASN 50 8.541 12.354 7.524 1030 HD22 ASN 50 HD22 ASN 50 7.486 13.224 6.475 1031 H LYS 51 H LYS 51 9.402 7.177 4.223 1032 HA LYS 51 HA LYS 51 11.407 8.965 3.097 1033 HB2 LYS 51 HB2 LYS 51 10.992 5.985 2.617 1034 HB3 LYS 51 HB3 LYS 51 12.417 6.927 2.172 1035 HG2 LYS 51 HG2 LYS 51 12.834 7.357 4.604 1036 HG3 LYS 51 HG3 LYS 51 11.456 6.325 4.988 1037 HD2 LYS 51 HD2 LYS 51 13.405 4.964 5.269 1038 HD3 LYS 51 HD3 LYS 51 12.664 4.438 3.756 1039 HE2 LYS 51 HE2 LYS 51 15.095 4.603 3.501 1040 HE3 LYS 51 HE3 LYS 51 14.307 5.819 2.497 1041 HZ1 LYS 51 HZ1 LYS 51 15.577 6.292 5.144 1042 HZ2 LYS 51 HZ2 LYS 51 14.782 7.465 4.224 1043 HZ3 LYS 51 HZ3 LYS 51 16.198 6.754 3.641 1044 H VAL 52 H VAL 52 8.248 8.281 2.269 1045 HA VAL 52 HA VAL 52 8.677 9.011 -0.568 1046 HB VAL 52 HB VAL 52 6.865 7.444 -1.293 1047 HG11 VAL 52 HG11 VAL 52 9.184 6.017 0.062 1048 HG12 VAL 52 HG12 VAL 52 9.202 6.728 -1.555 1049 HG13 VAL 52 HG13 VAL 52 8.159 5.346 -1.212 1050 HG21 VAL 52 HG21 VAL 52 5.638 7.199 0.822 1051 HG22 VAL 52 HG22 VAL 52 7.006 6.352 1.549 1052 HG23 VAL 52 HG23 VAL 52 6.114 5.610 0.220 1053 H VAL 53 H VAL 53 6.836 9.970 -1.614 1054 HA VAL 53 HA VAL 53 4.487 10.690 0.047 1055 HB VAL 53 HB VAL 53 4.234 12.782 -1.401 1056 HG11 VAL 53 HG11 VAL 53 5.849 14.149 -0.110 1057 HG12 VAL 53 HG12 VAL 53 6.705 12.684 0.377 1058 HG13 VAL 53 HG13 VAL 53 5.049 12.961 0.923 1059 HG21 VAL 53 HG21 VAL 53 6.223 13.666 -2.547 1060 HG22 VAL 53 HG22 VAL 53 5.706 12.130 -3.246 1061 HG23 VAL 53 HG23 VAL 53 7.105 12.183 -2.170 1062 H ILE 54 H ILE 54 2.487 10.995 -1.199 1063 HA ILE 54 HA ILE 54 2.345 9.211 -3.571 1064 HB ILE 54 HB ILE 54 0.181 9.611 -1.460 1065 HG12 ILE 54 HG12 ILE 54 2.088 8.442 -0.440 1066 HG13 ILE 54 HG13 ILE 54 0.742 7.330 -0.644 1067 HG21 ILE 54 HG21 ILE 54 -0.752 8.981 -3.643 1068 HG22 ILE 54 HG22 ILE 54 -0.918 7.645 -2.505 1069 HG23 ILE 54 HG23 ILE 54 0.343 7.598 -3.740 1070 HD11 ILE 54 HD11 ILE 54 2.834 6.262 -1.162 1071 HD12 ILE 54 HD12 ILE 54 3.207 7.481 -2.379 1072 HD13 ILE 54 HD13 ILE 54 1.849 6.376 -2.618 1073 H GLU 55 H GLU 55 1.737 10.252 -5.381 1074 HA GLU 55 HA GLU 55 0.093 12.716 -5.195 1075 HB2 GLU 55 HB2 GLU 55 2.114 11.974 -7.349 1076 HB3 GLU 55 HB3 GLU 55 1.181 13.467 -7.274 1077 HG2 GLU 55 HG2 GLU 55 3.389 12.575 -5.395 1078 HG3 GLU 55 HG3 GLU 55 3.447 13.899 -6.552 1079 H ARG 56 H ARG 56 -1.964 12.269 -5.761 1080 HA ARG 56 HA ARG 56 -2.637 10.358 -7.863 1081 HB2 ARG 56 HB2 ARG 56 -4.407 12.277 -6.280 1082 HB3 ARG 56 HB3 ARG 56 -4.998 11.070 -7.422 1083 HG2 ARG 56 HG2 ARG 56 -4.153 9.268 -6.013 1084 HG3 ARG 56 HG3 ARG 56 -3.432 10.426 -4.895 1085 HD2 ARG 56 HD2 ARG 56 -5.654 11.246 -4.266 1086 HD3 ARG 56 HD3 ARG 56 -6.410 10.185 -5.459 1087 HE ARG 56 HE ARG 56 -5.594 8.278 -4.129 1088 HH11 ARG 56 HH11 ARG 56 -5.779 11.326 -2.481 1089 HH12 ARG 56 HH12 ARG 56 -5.965 10.587 -0.936 1090 HH21 ARG 56 HH21 ARG 56 -5.835 7.374 -2.135 1091 HH22 ARG 56 HH22 ARG 56 -6.003 8.376 -0.741 1092 H LYS 57 H LYS 57 -1.885 11.073 -9.795 1093 HA LYS 57 HA LYS 57 -2.388 13.851 -10.679 1094 HB2 LYS 57 HB2 LYS 57 -0.419 11.795 -11.780 1095 HB3 LYS 57 HB3 LYS 57 -0.548 13.488 -12.265 1096 HG2 LYS 57 HG2 LYS 57 0.145 14.198 -9.995 1097 HG3 LYS 57 HG3 LYS 57 0.251 12.508 -9.496 1098 HD2 LYS 57 HD2 LYS 57 2.482 13.365 -9.979 1099 HD3 LYS 57 HD3 LYS 57 2.049 12.146 -11.179 1100 HE2 LYS 57 HE2 LYS 57 3.138 14.037 -12.272 1101 HE3 LYS 57 HE3 LYS 57 1.447 13.971 -12.770 1102 HZ1 LYS 57 HZ1 LYS 57 2.100 16.215 -12.258 1103 HZ2 LYS 57 HZ2 LYS 57 2.595 15.766 -10.705 1104 HZ3 LYS 57 HZ3 LYS 57 0.961 15.690 -11.125 1105 H ASN 58 H ASN 58 -4.187 14.038 -11.898 1106 HA ASN 58 HA ASN 58 -6.028 13.566 -13.130 1107 HB2 ASN 58 HB2 ASN 58 -4.031 12.043 -14.866 1108 HB3 ASN 58 HB3 ASN 58 -5.600 12.650 -15.388 1109 HD21 ASN 58 HD21 ASN 58 -2.335 13.521 -14.549 1110 HD22 ASN 58 HD22 ASN 58 -2.393 15.135 -15.152 1111 H GLY 59 H GLY 59 -5.541 11.723 -10.966 1112 HA2 GLY 59 HA2 GLY 59 -6.970 10.020 -10.143 1113 HA3 GLY 59 HA3 GLY 59 -7.262 9.466 -11.781 1114 H LEU 60 H LEU 60 -4.103 9.702 -11.990 1115 HA LEU 60 HA LEU 60 -3.640 6.871 -11.522 1116 HB2 LEU 60 HB2 LEU 60 -1.880 9.049 -12.726 1117 HB3 LEU 60 HB3 LEU 60 -1.335 7.396 -12.501 1118 HG LEU 60 HG LEU 60 -3.211 6.638 -14.030 1119 HD11 LEU 60 HD11 LEU 60 -4.717 8.546 -13.871 1120 HD12 LEU 60 HD12 LEU 60 -4.257 8.249 -15.546 1121 HD13 LEU 60 HD13 LEU 60 -3.521 9.584 -14.654 1122 HD21 LEU 60 HD21 LEU 60 -0.911 6.804 -14.829 1123 HD22 LEU 60 HD22 LEU 60 -1.156 8.503 -15.246 1124 HD23 LEU 60 HD23 LEU 60 -2.049 7.243 -16.104 1125 H ILE 61 H ILE 61 -2.406 5.964 -9.921 1126 HA ILE 61 HA ILE 61 -1.526 7.677 -7.698 1127 HB ILE 61 HB ILE 61 -1.557 4.628 -7.790 1128 HG12 ILE 61 HG12 ILE 61 -3.852 5.501 -8.221 1129 HG13 ILE 61 HG13 ILE 61 -3.753 4.677 -6.674 1130 HG21 ILE 61 HG21 ILE 61 -1.456 6.555 -5.432 1131 HG22 ILE 61 HG22 ILE 61 -0.137 5.534 -6.010 1132 HG23 ILE 61 HG23 ILE 61 -1.577 4.797 -5.306 1133 HD11 ILE 61 HD11 ILE 61 -5.123 6.652 -6.544 1134 HD12 ILE 61 HD12 ILE 61 -3.783 7.657 -7.095 1135 HD13 ILE 61 HD13 ILE 61 -3.690 6.832 -5.535 1136 H GLU 62 H GLU 62 0.500 8.456 -7.891 1137 HA GLU 62 HA GLU 62 2.646 6.807 -9.104 1138 HB2 GLU 62 HB2 GLU 62 2.234 9.827 -9.249 1139 HB3 GLU 62 HB3 GLU 62 3.689 8.998 -9.811 1140 HG2 GLU 62 HG2 GLU 62 2.338 7.726 -11.444 1141 HG3 GLU 62 HG3 GLU 62 0.881 8.543 -10.883 1142 H ILE 63 H ILE 63 4.407 6.466 -7.946 1143 HA ILE 63 HA ILE 63 4.560 7.428 -5.195 1144 HB ILE 63 HB ILE 63 6.278 5.291 -6.540 1145 HG12 ILE 63 HG12 ILE 63 3.976 4.540 -6.735 1146 HG13 ILE 63 HG13 ILE 63 4.739 3.612 -5.451 1147 HG21 ILE 63 HG21 ILE 63 6.727 4.513 -4.229 1148 HG22 ILE 63 HG22 ILE 63 5.776 5.856 -3.589 1149 HG23 ILE 63 HG23 ILE 63 7.269 6.176 -4.475 1150 HD11 ILE 63 HD11 ILE 63 2.520 4.181 -4.814 1151 HD12 ILE 63 HD12 ILE 63 2.793 5.889 -5.143 1152 HD13 ILE 63 HD13 ILE 63 3.629 5.100 -3.801 1153 H TYR 64 H TYR 64 5.725 9.189 -4.835 1154 HA TYR 64 HA TYR 64 8.266 9.698 -6.276 1155 HB2 TYR 64 HB2 TYR 64 6.376 11.521 -4.736 1156 HB3 TYR 64 HB3 TYR 64 7.991 12.034 -5.196 1157 HD1 TYR 64 HD2 TYR 64 4.794 10.715 -6.662 1158 HD2 TYR 64 HD1 TYR 64 8.310 13.063 -7.313 1159 HE1 TYR 64 HE2 TYR 64 3.920 11.421 -8.855 1160 HE2 TYR 64 HE1 TYR 64 7.436 13.771 -9.498 1161 HH TYR 64 HH TYR 64 5.818 12.916 -11.210 1162 H ASN 65 H ASN 65 10.073 10.456 -4.984 1163 HA ASN 65 HA ASN 65 10.333 9.074 -2.403 1164 HB2 ASN 65 HB2 ASN 65 12.071 8.862 -4.249 1165 HB3 ASN 65 HB3 ASN 65 12.435 10.573 -4.035 1166 HD21 ASN 65 HD21 ASN 65 14.604 9.965 -3.561 1167 HD22 ASN 65 HD22 ASN 65 15.027 9.310 -2.025 1168 H GLU 66 H GLU 66 10.967 10.207 -0.468 1169 HA GLU 66 HA GLU 66 10.302 13.075 -0.449 1170 HB2 GLU 66 HB2 GLU 66 9.735 11.007 1.403 1171 HB3 GLU 66 HB3 GLU 66 10.958 11.975 2.211 1172 HG2 GLU 66 HG2 GLU 66 8.321 13.003 1.098 1173 HG3 GLU 66 HG3 GLU 66 8.674 12.694 2.800 1174 H GLY 67 H GLY 67 11.649 14.554 0.823 1175 HA2 GLY 67 HA2 GLY 67 14.083 14.871 1.581 1176 HA3 GLY 67 HA3 GLY 67 14.456 14.262 -0.032 1177 H HIS 68 H HIS 68 11.680 15.759 -0.579 1178 HA HIS 68 HA HIS 68 12.981 18.194 -1.585 1179 HB2 HIS 68 HB2 HIS 68 10.927 18.396 -3.015 1180 HB3 HIS 68 HB3 HIS 68 11.828 16.910 -3.273 1181 HD1 HIS 68 HD1 HIS 68 10.725 14.697 -2.503 1182 HD2 HIS 68 HD2 HIS 68 8.317 18.035 -1.990 1183 HE1 HIS 68 HE1 HIS 68 8.452 13.803 -2.022 1184 HE2 HIS 68 HE2 HIS 68 6.994 15.826 -1.764 1185 H PHE 69 H PHE 69 10.441 17.282 0.739 1186 HA PHE 69 HA PHE 69 9.307 19.875 1.097 1187 HB2 PHE 69 HB2 PHE 69 9.485 17.504 3.001 1188 HB3 PHE 69 HB3 PHE 69 8.655 18.994 3.432 1189 HD1 PHE 69 HD2 PHE 69 7.612 19.223 0.341 1190 HD2 PHE 69 HD1 PHE 69 7.355 16.290 3.452 1191 HE1 PHE 69 HE2 PHE 69 5.535 18.351 -0.638 1192 HE2 PHE 69 HE1 PHE 69 5.273 15.434 2.462 1193 HZ PHE 69 HZ PHE 69 4.363 16.459 0.415 1194 H ASP 70 H ASP 70 9.801 21.562 2.496 1195 HA ASP 70 HA ASP 70 12.505 22.094 3.067 1196 HB2 ASP 70 HB2 ASP 70 11.635 24.123 4.284 1197 HB3 ASP 70 HB3 ASP 70 10.986 23.929 2.662 1198 H PHE 71 H PHE 71 13.666 20.910 4.478 1199 HA PHE 71 HA PHE 71 12.497 20.158 7.099 1200 HB2 PHE 71 HB2 PHE 71 13.920 18.165 7.090 1201 HB3 PHE 71 HB3 PHE 71 12.912 18.208 5.655 1202 HD1 PHE 71 HD1 PHE 71 14.058 19.106 3.447 1203 HD2 PHE 71 HD2 PHE 71 16.247 17.754 6.865 1204 HE1 PHE 71 HE1 PHE 71 16.029 18.716 2.033 1205 HE2 PHE 71 HE2 PHE 71 18.214 17.369 5.442 1206 HZ PHE 71 HZ PHE 71 18.109 17.845 3.027 1207 H SER 72 H SER 72 13.231 21.326 8.691 1208 HA SER 72 HA SER 72 16.013 21.302 9.424 1209 HB2 SER 72 HB2 SER 72 16.328 23.717 9.721 1210 HB3 SER 72 HB3 SER 72 15.932 23.392 8.037 1211 HG SER 72 HG SER 72 14.782 25.173 8.864 1212 H PHE 73 H PHE 73 16.233 22.414 11.680 1213 HA PHE 73 HA PHE 73 14.129 21.158 13.291 1214 HB2 PHE 73 HB2 PHE 73 16.906 22.158 14.042 1215 HB3 PHE 73 HB3 PHE 73 15.808 21.328 15.143 1216 HD1 PHE 73 HD2 PHE 73 15.139 18.933 14.663 1217 HD2 PHE 73 HD1 PHE 73 18.245 20.893 12.468 1218 HE1 PHE 73 HE2 PHE 73 15.957 16.756 13.868 1219 HE2 PHE 73 HE1 PHE 73 19.052 18.709 11.674 1220 HZ PHE 73 HZ PHE 73 17.910 16.645 12.373 1221 H GLY 74 H GLY 74 13.517 23.758 12.098 1222 HA2 GLY 74 HA2 GLY 74 13.266 25.648 14.291 1223 HA3 GLY 74 HA3 GLY 74 12.550 25.782 12.692 1224 H LEU 75 H LEU 75 12.284 23.780 15.638 1225 HA LEU 75 HA LEU 75 9.348 23.917 15.538 1226 HB2 LEU 75 HB2 LEU 75 9.254 21.421 16.085 1227 HB3 LEU 75 HB3 LEU 75 9.663 21.864 14.444 1228 HG LEU 75 HG LEU 75 12.135 21.447 15.092 1229 HD11 LEU 75 HD11 LEU 75 11.933 21.408 17.518 1230 HD12 LEU 75 HD12 LEU 75 12.577 19.881 16.922 1231 HD13 LEU 75 HD13 LEU 75 10.889 19.986 17.434 1232 HD21 LEU 75 HD21 LEU 75 10.239 19.078 15.011 1233 HD22 LEU 75 HD22 LEU 75 11.972 19.031 14.672 1234 HD23 LEU 75 HD23 LEU 75 10.895 19.943 13.618 1235 H GLU 76 H GLU 76 8.285 23.456 17.546 1236 HA GLU 76 HA GLU 76 9.900 24.190 19.882 1237 HB2 GLU 76 HB2 GLU 76 7.144 24.721 19.029 1238 HB3 GLU 76 HB3 GLU 76 7.159 24.081 20.665 1239 HG2 GLU 76 HG2 GLU 76 8.636 26.536 19.669 1240 HG3 GLU 76 HG3 GLU 76 7.215 26.511 20.715 1241 H HIS 77 H HIS 77 8.458 23.231 21.982 1242 HA HIS 77 HA HIS 77 8.255 21.540 23.437 1243 HB2 HIS 77 HB2 HIS 77 6.797 20.452 21.677 1244 HB3 HIS 77 HB3 HIS 77 8.209 19.573 21.111 1245 HD1 HIS 77 HD1 HIS 77 6.723 17.421 21.683 1246 HD2 HIS 77 HD2 HIS 77 7.928 19.645 24.979 1247 HE1 HIS 77 HE1 HIS 77 6.306 15.951 23.666 1248 HE2 HIS 77 HE2 HIS 77 7.211 17.244 25.620 1249 H HIS 78 H HIS 78 10.372 20.190 20.843 1250 HA HIS 78 HA HIS 78 12.476 19.359 22.561 1251 HB2 HIS 78 HB2 HIS 78 12.254 18.461 20.272 1252 HB3 HIS 78 HB3 HIS 78 12.536 20.057 19.591 1253 HD1 HIS 78 HD1 HIS 78 14.978 20.962 19.642 1254 HD2 HIS 78 HD2 HIS 78 14.571 17.095 21.105 1255 HE1 HIS 78 HE1 HIS 78 17.314 20.078 19.844 1256 HE2 HIS 78 HE2 HIS 78 17.051 17.794 20.867 1257 H HIS 79 H HIS 79 13.969 20.539 23.582 1258 HA HIS 79 HA HIS 79 14.735 23.243 22.633 1259 HB2 HIS 79 HB2 HIS 79 14.276 22.343 25.521 1260 HB3 HIS 79 HB3 HIS 79 14.990 23.890 25.064 1261 HD1 HIS 79 HD1 HIS 79 11.774 22.340 25.762 1262 HD2 HIS 79 HD2 HIS 79 13.116 25.552 23.499 1263 HE1 HIS 79 HE1 HIS 79 9.738 23.730 25.299 1264 HE2 HIS 79 HE2 HIS 79 10.546 25.543 23.761 1265 H HIS 80 H HIS 80 16.939 23.901 23.209 1266 HA HIS 80 HA HIS 80 18.863 21.772 23.115 1267 HB2 HIS 80 HB2 HIS 80 20.589 23.633 23.331 1268 HB3 HIS 80 HB3 HIS 80 19.510 23.740 21.954 1269 HD1 HIS 80 HD1 HIS 80 18.477 25.958 21.570 1270 HD2 HIS 80 HD2 HIS 80 19.812 25.564 25.487 1271 HE1 HIS 80 HE1 HIS 80 18.233 28.232 22.597 1272 HE2 HIS 80 HE2 HIS 80 18.903 27.935 25.000 1273 H HIS 81 H HIS 81 19.251 20.499 24.791 1274 HA HIS 81 HA HIS 81 18.763 21.355 27.526 1275 HB2 HIS 81 HB2 HIS 81 17.996 19.122 26.693 1276 HB3 HIS 81 HB3 HIS 81 19.676 18.630 26.505 1277 HD1 HIS 81 HD1 HIS 81 17.250 19.701 29.220 1278 HD2 HIS 81 HD2 HIS 81 20.788 17.559 28.807 1279 HE1 HIS 81 HE1 HIS 81 17.696 18.699 31.476 1280 HE2 HIS 81 HE2 HIS 81 19.871 17.467 31.226 1281 H HIS 82 H HIS 82 20.303 22.318 28.696 1282 HA HIS 82 HA HIS 82 23.142 22.102 28.115 1283 HB2 HIS 82 HB2 HIS 82 22.135 24.267 28.805 1284 HB3 HIS 82 HB3 HIS 82 21.656 23.567 30.350 1285 HD1 HIS 82 HD1 HIS 82 24.858 24.287 28.396 1286 HD2 HIS 82 HD2 HIS 82 23.535 23.936 32.318 1287 HE1 HIS 82 HE1 HIS 82 26.817 24.915 29.822 1288 HE2 HIS 82 HE2 HIS 82 25.943 24.857 32.173 Start of MODEL 12 1 H1 MET 1 H1 MET 1 2.913 14.240 -0.496 2 H2 MET 1 H2 MET 1 3.753 14.907 0.807 3 H3 MET 1 H3 MET 1 3.483 15.834 -0.582 4 HA MET 1 HA MET 1 2.022 16.499 1.194 5 HB2 MET 1 HB2 MET 1 1.297 16.678 -1.157 6 HB3 MET 1 HB3 MET 1 0.624 15.060 -1.096 7 HG2 MET 1 HG2 MET 1 -1.145 15.761 0.358 8 HG3 MET 1 HG3 MET 1 -0.364 17.311 0.663 9 HE1 MET 1 HE1 MET 1 -0.414 15.792 -3.007 10 HE2 MET 1 HE2 MET 1 -2.017 16.290 -3.551 11 HE3 MET 1 HE3 MET 1 -1.858 15.080 -2.282 12 H ASP 2 H ASP 2 1.212 13.177 0.149 13 HA ASP 2 HA ASP 2 0.517 11.345 1.278 14 HB2 ASP 2 HB2 ASP 2 2.455 10.726 2.995 15 HB3 ASP 2 HB3 ASP 2 2.725 10.787 1.265 16 H LYS 3 H LYS 3 1.693 13.123 4.213 17 HA LYS 3 HA LYS 3 0.696 11.232 5.934 18 HB2 LYS 3 HB2 LYS 3 1.144 14.155 6.611 19 HB3 LYS 3 HB3 LYS 3 1.056 12.836 7.779 20 HG2 LYS 3 HG2 LYS 3 3.180 13.267 5.656 21 HG3 LYS 3 HG3 LYS 3 3.375 13.426 7.407 22 HD2 LYS 3 HD2 LYS 3 3.056 11.018 7.704 23 HD3 LYS 3 HD3 LYS 3 2.675 10.811 5.991 24 HE2 LYS 3 HE2 LYS 3 4.979 10.097 6.506 25 HE3 LYS 3 HE3 LYS 3 4.962 11.459 5.384 26 HZ1 LYS 3 HZ1 LYS 3 6.631 11.705 7.124 27 HZ2 LYS 3 HZ2 LYS 3 5.431 11.669 8.313 28 HZ3 LYS 3 HZ3 LYS 3 5.480 12.942 7.195 29 H LYS 4 H LYS 4 -1.056 14.315 5.222 30 HA LYS 4 HA LYS 4 -3.253 13.668 6.973 31 HB2 LYS 4 HB2 LYS 4 -2.944 15.813 4.845 32 HB3 LYS 4 HB3 LYS 4 -4.453 15.587 5.712 33 HG2 LYS 4 HG2 LYS 4 -3.296 17.374 6.789 34 HG3 LYS 4 HG3 LYS 4 -3.215 15.980 7.868 35 HD2 LYS 4 HD2 LYS 4 -0.885 15.541 7.117 36 HD3 LYS 4 HD3 LYS 4 -0.975 16.929 6.027 37 HE2 LYS 4 HE2 LYS 4 0.235 17.509 8.091 38 HE3 LYS 4 HE3 LYS 4 -1.262 18.434 7.972 39 HZ1 LYS 4 HZ1 LYS 4 -0.850 17.545 10.208 40 HZ2 LYS 4 HZ2 LYS 4 -0.924 15.971 9.599 41 HZ3 LYS 4 HZ3 LYS 4 -2.295 16.959 9.548 42 H ILE 5 H ILE 5 -2.694 13.241 3.495 43 HA ILE 5 HA ILE 5 -5.246 12.343 2.673 44 HB ILE 5 HB ILE 5 -2.574 11.294 1.619 45 HG12 ILE 5 HG12 ILE 5 -4.087 13.745 0.603 46 HG13 ILE 5 HG13 ILE 5 -2.632 13.804 1.596 47 HG21 ILE 5 HG21 ILE 5 -5.284 11.444 0.244 48 HG22 ILE 5 HG22 ILE 5 -4.500 9.983 0.846 49 HG23 ILE 5 HG23 ILE 5 -3.782 10.875 -0.496 50 HD11 ILE 5 HD11 ILE 5 -1.376 12.675 -0.191 51 HD12 ILE 5 HD12 ILE 5 -2.104 14.184 -0.732 52 HD13 ILE 5 HD13 ILE 5 -2.835 12.648 -1.189 53 H VAL 6 H VAL 6 -2.391 10.391 3.538 54 HA VAL 6 HA VAL 6 -3.601 7.853 3.361 55 HB VAL 6 HB VAL 6 -1.516 6.980 4.414 56 HG11 VAL 6 HG11 VAL 6 -0.967 9.137 2.334 57 HG12 VAL 6 HG12 VAL 6 -1.517 7.495 2.000 58 HG13 VAL 6 HG13 VAL 6 0.077 7.760 2.702 59 HG21 VAL 6 HG21 VAL 6 -0.765 9.911 4.807 60 HG22 VAL 6 HG22 VAL 6 0.304 8.531 5.082 61 HG23 VAL 6 HG23 VAL 6 -1.125 8.751 6.090 62 H GLY 7 H GLY 7 -3.181 10.058 6.103 63 HA2 GLY 7 HA2 GLY 7 -4.008 8.290 8.189 64 HA3 GLY 7 HA3 GLY 7 -4.016 10.048 8.248 65 H ALA 8 H ALA 8 -5.770 10.689 6.222 66 HA ALA 8 HA ALA 8 -8.345 10.384 7.345 67 HB1 ALA 8 HB1 ALA 8 -7.586 11.233 4.522 68 HB2 ALA 8 HB2 ALA 8 -7.712 12.299 5.925 69 HB3 ALA 8 HB3 ALA 8 -9.156 11.503 5.299 70 H ASN 9 H ASN 9 -6.822 8.808 4.535 71 HA ASN 9 HA ASN 9 -9.015 7.203 3.727 72 HB2 ASN 9 HB2 ASN 9 -6.032 6.842 3.223 73 HB3 ASN 9 HB3 ASN 9 -7.288 5.888 2.434 74 HD21 ASN 9 HD21 ASN 9 -5.320 7.597 1.212 75 HD22 ASN 9 HD22 ASN 9 -6.188 8.796 0.328 76 H ALA 10 H ALA 10 -6.334 6.628 6.002 77 HA ALA 10 HA ALA 10 -6.625 3.802 6.229 78 HB1 ALA 10 HB1 ALA 10 -5.121 4.031 8.167 79 HB2 ALA 10 HB2 ALA 10 -5.351 5.780 8.149 80 HB3 ALA 10 HB3 ALA 10 -4.544 4.982 6.799 81 H GLY 11 H GLY 11 -8.018 6.540 8.001 82 HA2 GLY 11 HA2 GLY 11 -9.267 5.138 10.124 83 HA3 GLY 11 HA3 GLY 11 -9.752 6.708 9.503 84 H LYS 12 H LYS 12 -10.401 5.963 6.863 85 HA LYS 12 HA LYS 12 -13.055 4.897 7.160 86 HB2 LYS 12 HB2 LYS 12 -12.503 6.718 5.562 87 HB3 LYS 12 HB3 LYS 12 -11.492 5.609 4.637 88 HG2 LYS 12 HG2 LYS 12 -13.432 4.293 3.991 89 HG3 LYS 12 HG3 LYS 12 -14.477 5.240 5.054 90 HD2 LYS 12 HD2 LYS 12 -13.999 7.264 3.653 91 HD3 LYS 12 HD3 LYS 12 -13.051 6.250 2.560 92 HE2 LYS 12 HE2 LYS 12 -15.337 6.642 1.705 93 HE3 LYS 12 HE3 LYS 12 -15.050 4.932 2.017 94 HZ1 LYS 12 HZ1 LYS 12 -17.213 5.605 2.806 95 HZ2 LYS 12 HZ2 LYS 12 -16.533 6.798 3.785 96 HZ3 LYS 12 HZ3 LYS 12 -16.242 5.170 4.119 97 H VAL 13 H VAL 13 -10.030 3.670 5.754 98 HA VAL 13 HA VAL 13 -11.083 1.306 4.584 99 HB VAL 13 HB VAL 13 -8.221 2.083 5.283 100 HG11 VAL 13 HG11 VAL 13 -9.138 -0.380 3.735 101 HG12 VAL 13 HG12 VAL 13 -8.331 -0.377 5.307 102 HG13 VAL 13 HG13 VAL 13 -7.466 0.176 3.873 103 HG21 VAL 13 HG21 VAL 13 -9.279 3.408 3.474 104 HG22 VAL 13 HG22 VAL 13 -9.669 1.924 2.600 105 HG23 VAL 13 HG23 VAL 13 -7.984 2.393 2.833 106 H TRP 14 H TRP 14 -9.402 1.889 7.655 107 HA TRP 14 HA TRP 14 -9.495 -0.771 8.633 108 HB2 TRP 14 HB2 TRP 14 -8.056 1.132 9.570 109 HB3 TRP 14 HB3 TRP 14 -9.489 1.699 10.418 110 HD1 TRP 14 HD1 TRP 14 -6.888 -1.119 10.484 111 HE1 TRP 14 HE1 TRP 14 -7.083 -2.384 12.715 112 HE3 TRP 14 HE3 TRP 14 -11.149 0.994 12.194 113 HZ2 TRP 14 HZ2 TRP 14 -8.846 -2.477 14.935 114 HZ3 TRP 14 HZ3 TRP 14 -12.070 0.290 14.388 115 HH2 TRP 14 HH2 TRP 14 -10.933 -1.425 15.725 116 H HIS 15 H HIS 15 -11.813 1.885 8.821 117 HA HIS 15 HA HIS 15 -13.689 0.804 10.626 118 HB2 HIS 15 HB2 HIS 15 -13.657 3.169 9.810 119 HB3 HIS 15 HB3 HIS 15 -14.214 2.620 8.233 120 HD1 HIS 15 HD1 HIS 15 -15.367 3.058 11.786 121 HD2 HIS 15 HD2 HIS 15 -16.961 2.167 8.057 122 HE1 HIS 15 HE1 HIS 15 -17.852 3.231 12.058 123 HE2 HIS 15 HE2 HIS 15 -18.755 2.956 9.739 124 H ALA 16 H ALA 16 -13.480 0.532 7.074 125 HA ALA 16 HA ALA 16 -15.706 -1.225 6.743 126 HB1 ALA 16 HB1 ALA 16 -14.876 -1.545 4.461 127 HB2 ALA 16 HB2 ALA 16 -13.345 -0.777 4.895 128 HB3 ALA 16 HB3 ALA 16 -14.839 0.163 4.908 129 H LEU 17 H LEU 17 -12.238 -1.785 7.226 130 HA LEU 17 HA LEU 17 -12.091 -4.572 6.862 131 HB2 LEU 17 HB2 LEU 17 -10.531 -2.605 8.549 132 HB3 LEU 17 HB3 LEU 17 -10.154 -4.318 8.620 133 HG LEU 17 HG LEU 17 -10.114 -2.758 6.013 134 HD11 LEU 17 HD11 LEU 17 -8.506 -1.757 7.599 135 HD12 LEU 17 HD12 LEU 17 -7.701 -2.560 6.245 136 HD13 LEU 17 HD13 LEU 17 -7.759 -3.342 7.828 137 HD21 LEU 17 HD21 LEU 17 -8.920 -5.444 6.798 138 HD22 LEU 17 HD22 LEU 17 -8.760 -4.660 5.225 139 HD23 LEU 17 HD23 LEU 17 -10.343 -5.195 5.780 140 H ASN 18 H ASN 18 -12.926 -2.646 9.716 141 HA ASN 18 HA ASN 18 -12.911 -4.629 11.694 142 HB2 ASN 18 HB2 ASN 18 -12.922 -2.147 12.077 143 HB3 ASN 18 HB3 ASN 18 -14.610 -2.099 11.586 144 HD21 ASN 18 HD21 ASN 18 -12.397 -2.945 14.123 145 HD22 ASN 18 HD22 ASN 18 -13.589 -3.267 15.328 146 H GLU 19 H GLU 19 -15.310 -3.929 9.258 147 HA GLU 19 HA GLU 19 -17.630 -5.126 10.397 148 HB2 GLU 19 HB2 GLU 19 -16.887 -4.868 7.453 149 HB3 GLU 19 HB3 GLU 19 -18.514 -5.083 8.103 150 HG2 GLU 19 HG2 GLU 19 -18.515 -2.866 9.031 151 HG3 GLU 19 HG3 GLU 19 -16.791 -2.659 8.715 152 H ALA 20 H ALA 20 -15.005 -6.374 8.336 153 HA ALA 20 HA ALA 20 -15.424 -9.118 9.155 154 HB1 ALA 20 HB1 ALA 20 -17.126 -8.943 7.374 155 HB2 ALA 20 HB2 ALA 20 -15.832 -10.046 6.905 156 HB3 ALA 20 HB3 ALA 20 -15.890 -8.414 6.230 157 H ASP 21 H ASP 21 -13.350 -9.566 9.675 158 HA ASP 21 HA ASP 21 -11.049 -8.689 8.165 159 HB2 ASP 21 HB2 ASP 21 -9.738 -10.007 9.790 160 HB3 ASP 21 HB3 ASP 21 -10.908 -8.984 10.609 161 H GLY 22 H GLY 22 -9.385 -10.311 7.354 162 HA2 GLY 22 HA2 GLY 22 -8.769 -12.059 5.967 163 HA3 GLY 22 HA3 GLY 22 -10.236 -12.909 6.443 164 H ILE 23 H ILE 23 -9.225 -10.068 4.548 165 HA ILE 23 HA ILE 23 -11.143 -10.698 2.410 166 HB ILE 23 HB ILE 23 -12.388 -9.282 3.960 167 HG12 ILE 23 HG12 ILE 23 -11.575 -7.634 1.525 168 HG13 ILE 23 HG13 ILE 23 -12.758 -8.938 1.512 169 HG21 ILE 23 HG21 ILE 23 -11.718 -6.998 4.580 170 HG22 ILE 23 HG22 ILE 23 -10.197 -7.193 3.706 171 HG23 ILE 23 HG23 ILE 23 -10.527 -8.181 5.131 172 HD11 ILE 23 HD11 ILE 23 -13.864 -6.813 1.530 173 HD12 ILE 23 HD12 ILE 23 -12.985 -6.309 2.969 174 HD13 ILE 23 HD13 ILE 23 -14.164 -7.622 3.068 175 H SER 24 H SER 24 -10.406 -10.177 0.400 176 HA SER 24 HA SER 24 -7.687 -9.410 -0.023 177 HB2 SER 24 HB2 SER 24 -9.974 -9.670 -2.023 178 HB3 SER 24 HB3 SER 24 -8.263 -9.536 -2.443 179 HG SER 24 HG SER 24 -7.957 -11.549 -1.884 180 H ILE 25 H ILE 25 -6.890 -7.561 -1.199 181 HA ILE 25 HA ILE 25 -7.710 -5.085 -0.208 182 HB ILE 25 HB ILE 25 -5.992 -5.569 -2.682 183 HG12 ILE 25 HG12 ILE 25 -5.134 -5.235 0.238 184 HG13 ILE 25 HG13 ILE 25 -5.123 -6.749 -0.659 185 HG21 ILE 25 HG21 ILE 25 -5.027 -3.331 -2.238 186 HG22 ILE 25 HG22 ILE 25 -6.167 -3.094 -0.913 187 HG23 ILE 25 HG23 ILE 25 -6.757 -3.233 -2.571 188 HD11 ILE 25 HD11 ILE 25 -2.897 -5.822 -0.476 189 HD12 ILE 25 HD12 ILE 25 -3.419 -4.328 -1.249 190 HD13 ILE 25 HD13 ILE 25 -3.410 -5.839 -2.163 191 HA PRO 26 HA PRO 26 -9.792 -3.997 -4.549 192 HB2 PRO 26 HB2 PRO 26 -10.752 -6.082 -6.089 193 HB3 PRO 26 HB3 PRO 26 -9.137 -5.387 -6.295 194 HG2 PRO 26 HG2 PRO 26 -9.955 -7.841 -4.727 195 HG3 PRO 26 HG3 PRO 26 -8.632 -7.657 -5.902 196 HD2 PRO 26 HD2 PRO 26 -8.128 -7.541 -3.267 197 HD3 PRO 26 HD3 PRO 26 -7.280 -6.454 -4.391 198 H GLU 27 H GLU 27 -10.958 -6.780 -2.688 199 HA GLU 27 HA GLU 27 -13.773 -6.390 -3.107 200 HB2 GLU 27 HB2 GLU 27 -12.718 -8.548 -2.377 201 HB3 GLU 27 HB3 GLU 27 -12.302 -7.806 -0.834 202 HG2 GLU 27 HG2 GLU 27 -14.304 -9.286 -0.731 203 HG3 GLU 27 HG3 GLU 27 -14.613 -7.634 -0.198 204 H LEU 28 H LEU 28 -11.558 -5.688 -0.503 205 HA LEU 28 HA LEU 28 -13.058 -4.072 1.210 206 HB2 LEU 28 HB2 LEU 28 -10.953 -5.096 1.804 207 HB3 LEU 28 HB3 LEU 28 -10.121 -4.273 0.497 208 HG LEU 28 HG LEU 28 -10.416 -2.115 1.690 209 HD11 LEU 28 HD11 LEU 28 -12.421 -2.599 3.009 210 HD12 LEU 28 HD12 LEU 28 -11.099 -2.071 4.047 211 HD13 LEU 28 HD13 LEU 28 -11.526 -3.782 3.970 212 HD21 LEU 28 HD21 LEU 28 -8.688 -2.575 3.395 213 HD22 LEU 28 HD22 LEU 28 -8.350 -3.388 1.866 214 HD23 LEU 28 HD23 LEU 28 -8.998 -4.309 3.228 215 H ALA 29 H ALA 29 -11.249 -3.261 -1.737 216 HA ALA 29 HA ALA 29 -11.210 -0.452 -1.550 217 HB1 ALA 29 HB1 ALA 29 -10.687 -0.441 -3.945 218 HB2 ALA 29 HB2 ALA 29 -11.205 -2.127 -4.082 219 HB3 ALA 29 HB3 ALA 29 -9.787 -1.715 -3.117 220 H ARG 30 H ARG 30 -13.681 -2.621 -2.923 221 HA ARG 30 HA ARG 30 -15.403 -0.563 -3.928 222 HB2 ARG 30 HB2 ARG 30 -15.770 -3.507 -3.373 223 HB3 ARG 30 HB3 ARG 30 -17.192 -2.523 -3.661 224 HG2 ARG 30 HG2 ARG 30 -16.491 -3.642 -5.706 225 HG3 ARG 30 HG3 ARG 30 -16.372 -1.894 -5.876 226 HD2 ARG 30 HD2 ARG 30 -13.969 -1.962 -5.701 227 HD3 ARG 30 HD3 ARG 30 -13.996 -3.658 -5.221 228 HE ARG 30 HE ARG 30 -14.332 -4.291 -7.415 229 HH11 ARG 30 HH11 ARG 30 -14.399 -0.817 -7.267 230 HH12 ARG 30 HH12 ARG 30 -14.262 -0.656 -8.982 231 HH21 ARG 30 HH21 ARG 30 -14.172 -4.031 -9.582 232 HH22 ARG 30 HH22 ARG 30 -14.153 -2.445 -10.268 233 H LYS 31 H LYS 31 -15.214 -2.225 -0.761 234 HA LYS 31 HA LYS 31 -17.627 -1.200 0.348 235 HB2 LYS 31 HB2 LYS 31 -15.104 -2.051 1.834 236 HB3 LYS 31 HB3 LYS 31 -16.684 -1.779 2.572 237 HG2 LYS 31 HG2 LYS 31 -17.498 -3.628 0.892 238 HG3 LYS 31 HG3 LYS 31 -15.781 -4.037 0.775 239 HD2 LYS 31 HD2 LYS 31 -17.496 -4.022 3.296 240 HD3 LYS 31 HD3 LYS 31 -16.880 -5.445 2.452 241 HE2 LYS 31 HE2 LYS 31 -14.579 -4.808 3.040 242 HE3 LYS 31 HE3 LYS 31 -15.169 -3.346 3.830 243 HZ1 LYS 31 HZ1 LYS 31 -16.369 -4.698 5.402 244 HZ2 LYS 31 HZ2 LYS 31 -14.724 -5.099 5.414 245 HZ3 LYS 31 HZ3 LYS 31 -15.837 -6.114 4.647 246 H VAL 32 H VAL 32 -14.283 0.031 0.462 247 HA VAL 32 HA VAL 32 -15.042 2.496 1.833 248 HB VAL 32 HB VAL 32 -12.685 3.130 1.684 249 HG11 VAL 32 HG11 VAL 32 -11.673 1.249 2.943 250 HG12 VAL 32 HG12 VAL 32 -13.019 0.210 2.467 251 HG13 VAL 32 HG13 VAL 32 -13.307 1.616 3.497 252 HG21 VAL 32 HG21 VAL 32 -12.245 0.641 -0.024 253 HG22 VAL 32 HG22 VAL 32 -10.977 1.710 0.586 254 HG23 VAL 32 HG23 VAL 32 -12.148 2.311 -0.588 255 H ASN 33 H ASN 33 -15.052 1.378 -1.362 256 HA ASN 33 HA ASN 33 -15.747 2.214 -3.304 257 HB2 ASN 33 HB2 ASN 33 -17.354 3.521 -1.775 258 HB3 ASN 33 HB3 ASN 33 -16.279 4.899 -1.967 259 HD21 ASN 33 HD21 ASN 33 -17.189 2.528 -4.466 260 HD22 ASN 33 HD22 ASN 33 -17.980 3.669 -5.483 261 H LEU 34 H LEU 34 -12.929 2.654 -2.184 262 HA LEU 34 HA LEU 34 -11.916 4.762 -3.993 263 HB2 LEU 34 HB2 LEU 34 -10.390 3.194 -1.863 264 HB3 LEU 34 HB3 LEU 34 -9.795 4.577 -2.772 265 HG LEU 34 HG LEU 34 -12.038 4.651 -0.703 266 HD11 LEU 34 HD11 LEU 34 -9.872 4.304 0.354 267 HD12 LEU 34 HD12 LEU 34 -10.457 5.932 0.686 268 HD13 LEU 34 HD13 LEU 34 -9.187 5.681 -0.517 269 HD21 LEU 34 HD21 LEU 34 -11.938 7.113 -0.941 270 HD22 LEU 34 HD22 LEU 34 -12.438 6.330 -2.435 271 HD23 LEU 34 HD23 LEU 34 -10.789 6.937 -2.273 272 H SER 35 H SER 35 -9.678 4.125 -5.002 273 HA SER 35 HA SER 35 -9.957 1.764 -6.645 274 HB2 SER 35 HB2 SER 35 -8.965 3.814 -7.562 275 HB3 SER 35 HB3 SER 35 -7.675 3.769 -6.361 276 HG SER 35 HG SER 35 -7.212 2.899 -8.551 277 H VAL 36 H VAL 36 -8.290 0.058 -6.836 278 HA VAL 36 HA VAL 36 -7.679 -1.283 -4.441 279 HB VAL 36 HB VAL 36 -6.312 -1.646 -7.146 280 HG11 VAL 36 HG11 VAL 36 -5.020 -2.749 -5.358 281 HG12 VAL 36 HG12 VAL 36 -5.792 -3.953 -6.386 282 HG13 VAL 36 HG13 VAL 36 -6.471 -3.588 -4.799 283 HG21 VAL 36 HG21 VAL 36 -8.759 -3.057 -6.019 284 HG22 VAL 36 HG22 VAL 36 -7.964 -3.439 -7.549 285 HG23 VAL 36 HG23 VAL 36 -8.752 -1.876 -7.332 286 H GLU 37 H GLU 37 -5.575 0.694 -6.518 287 HA GLU 37 HA GLU 37 -3.139 0.430 -5.122 288 HB2 GLU 37 HB2 GLU 37 -4.121 2.759 -6.825 289 HB3 GLU 37 HB3 GLU 37 -2.445 2.485 -6.348 290 HG2 GLU 37 HG2 GLU 37 -2.429 0.368 -7.611 291 HG3 GLU 37 HG3 GLU 37 -4.109 0.633 -8.082 292 H SER 38 H SER 38 -5.690 2.927 -4.800 293 HA SER 38 HA SER 38 -4.371 4.481 -2.796 294 HB2 SER 38 HB2 SER 38 -6.610 5.590 -2.512 295 HB3 SER 38 HB3 SER 38 -6.061 5.531 -4.187 296 HG SER 38 HG SER 38 -7.938 3.770 -2.968 297 H THR 39 H THR 39 -6.531 1.727 -2.662 298 HA THR 39 HA THR 39 -7.129 1.869 0.151 299 HB THR 39 HB THR 39 -7.456 -0.431 -1.826 300 HG1 THR 39 HG1 THR 39 -9.115 0.742 -2.417 301 HG21 THR 39 HG21 THR 39 -8.620 -0.146 0.975 302 HG22 THR 39 HG22 THR 39 -7.409 -1.331 0.476 303 HG23 THR 39 HG23 THR 39 -9.042 -1.406 -0.189 304 H ALA 40 H ALA 40 -4.901 -0.171 -1.796 305 HA ALA 40 HA ALA 40 -3.761 -1.706 0.289 306 HB1 ALA 40 HB1 ALA 40 -1.957 -2.226 -1.327 307 HB2 ALA 40 HB2 ALA 40 -2.522 -0.921 -2.378 308 HB3 ALA 40 HB3 ALA 40 -3.548 -2.325 -2.086 309 H LEU 41 H LEU 41 -2.829 1.388 -1.105 310 HA LEU 41 HA LEU 41 -0.469 1.958 0.309 311 HB2 LEU 41 HB2 LEU 41 -1.045 3.148 -1.677 312 HB3 LEU 41 HB3 LEU 41 -2.616 3.594 -1.071 313 HG LEU 41 HG LEU 41 -0.824 5.430 -1.388 314 HD11 LEU 41 HD11 LEU 41 -2.970 5.828 -0.318 315 HD12 LEU 41 HD12 LEU 41 -1.688 6.768 0.436 316 HD13 LEU 41 HD13 LEU 41 -2.312 5.325 1.242 317 HD21 LEU 41 HD21 LEU 41 0.204 4.338 1.248 318 HD22 LEU 41 HD22 LEU 41 0.677 5.868 0.501 319 HD23 LEU 41 HD23 LEU 41 1.061 4.345 -0.296 320 H ALA 42 H ALA 42 -3.880 2.612 1.124 321 HA ALA 42 HA ALA 42 -3.388 3.953 3.607 322 HB1 ALA 42 HB1 ALA 42 -5.466 4.267 2.334 323 HB2 ALA 42 HB2 ALA 42 -5.804 3.736 3.981 324 HB3 ALA 42 HB3 ALA 42 -5.922 2.590 2.642 325 H VAL 43 H VAL 43 -4.000 0.542 2.779 326 HA VAL 43 HA VAL 43 -4.179 -0.470 5.438 327 HB VAL 43 HB VAL 43 -3.404 -1.939 2.872 328 HG11 VAL 43 HG11 VAL 43 -4.051 -4.020 4.058 329 HG12 VAL 43 HG12 VAL 43 -4.310 -3.096 5.540 330 HG13 VAL 43 HG13 VAL 43 -2.691 -3.222 4.850 331 HG21 VAL 43 HG21 VAL 43 -5.753 -2.712 2.807 332 HG22 VAL 43 HG22 VAL 43 -5.666 -0.953 2.726 333 HG23 VAL 43 HG23 VAL 43 -6.122 -1.743 4.236 334 H GLY 44 H GLY 44 -1.456 0.069 3.217 335 HA2 GLY 44 HA2 GLY 44 0.639 -1.059 4.765 336 HA3 GLY 44 HA3 GLY 44 0.815 0.225 3.575 337 H TRP 45 H TRP 45 -0.941 2.102 4.878 338 HA TRP 45 HA TRP 45 0.748 3.276 6.889 339 HB2 TRP 45 HB2 TRP 45 -0.619 4.613 5.270 340 HB3 TRP 45 HB3 TRP 45 -2.086 4.046 6.065 341 HD1 TRP 45 HD1 TRP 45 -2.867 5.387 8.204 342 HE1 TRP 45 HE1 TRP 45 -1.956 7.417 9.476 343 HE3 TRP 45 HE3 TRP 45 1.736 5.743 5.992 344 HZ2 TRP 45 HZ2 TRP 45 0.383 8.971 9.547 345 HZ3 TRP 45 HZ3 TRP 45 3.248 7.543 6.724 346 HH2 TRP 45 HH2 TRP 45 2.585 9.122 8.467 347 H LEU 46 H LEU 46 -2.233 1.346 6.964 348 HA LEU 46 HA LEU 46 -2.742 1.559 9.772 349 HB2 LEU 46 HB2 LEU 46 -3.566 -0.494 7.692 350 HB3 LEU 46 HB3 LEU 46 -4.082 -0.601 9.373 351 HG LEU 46 HG LEU 46 -4.699 1.743 7.527 352 HD11 LEU 46 HD11 LEU 46 -5.902 -0.255 6.792 353 HD12 LEU 46 HD12 LEU 46 -7.008 0.926 7.494 354 HD13 LEU 46 HD13 LEU 46 -6.535 -0.498 8.426 355 HD21 LEU 46 HD21 LEU 46 -4.559 2.407 9.888 356 HD22 LEU 46 HD22 LEU 46 -5.706 1.138 10.329 357 HD23 LEU 46 HD23 LEU 46 -6.224 2.482 9.308 358 H ALA 47 H ALA 47 -0.792 -0.668 7.824 359 HA ALA 47 HA ALA 47 0.091 -2.423 9.830 360 HB1 ALA 47 HB1 ALA 47 1.958 -2.936 8.305 361 HB2 ALA 47 HB2 ALA 47 1.580 -1.497 7.352 362 HB3 ALA 47 HB3 ALA 47 0.428 -2.831 7.429 363 H ARG 48 H ARG 48 1.139 0.869 9.077 364 HA ARG 48 HA ARG 48 3.542 1.071 10.525 365 HB2 ARG 48 HB2 ARG 48 2.786 2.850 9.015 366 HB3 ARG 48 HB3 ARG 48 1.381 3.161 10.025 367 HG2 ARG 48 HG2 ARG 48 2.901 3.922 11.858 368 HG3 ARG 48 HG3 ARG 48 4.278 3.677 10.784 369 HD2 ARG 48 HD2 ARG 48 3.396 5.391 9.251 370 HD3 ARG 48 HD3 ARG 48 1.984 5.611 10.289 371 HE ARG 48 HE ARG 48 3.647 6.322 12.057 372 HH11 ARG 48 HH11 ARG 48 4.379 6.783 8.702 373 HH12 ARG 48 HH12 ARG 48 5.360 8.167 8.995 374 HH21 ARG 48 HH21 ARG 48 4.927 8.098 12.405 375 HH22 ARG 48 HH22 ARG 48 5.661 8.913 11.067 376 H GLU 49 H GLU 49 0.211 1.701 11.587 377 HA GLU 49 HA GLU 49 1.053 2.321 14.325 378 HB2 GLU 49 HB2 GLU 49 -1.689 2.454 13.002 379 HB3 GLU 49 HB3 GLU 49 -1.290 3.089 14.597 380 HG2 GLU 49 HG2 GLU 49 -0.095 4.080 11.974 381 HG3 GLU 49 HG3 GLU 49 -1.446 4.837 12.813 382 H ASN 50 H ASN 50 0.833 -0.502 12.989 383 HA ASN 50 HA ASN 50 0.179 -2.631 13.385 384 HB2 ASN 50 HB2 ASN 50 0.447 -1.662 16.263 385 HB3 ASN 50 HB3 ASN 50 0.320 -3.358 15.801 386 HD21 ASN 50 HD21 ASN 50 2.354 -0.529 15.728 387 HD22 ASN 50 HD22 ASN 50 3.809 -1.338 15.278 388 H LYS 51 H LYS 51 -1.920 -1.209 12.626 389 HA LYS 51 HA LYS 51 -4.271 -1.673 14.271 390 HB2 LYS 51 HB2 LYS 51 -4.007 -0.689 11.397 391 HB3 LYS 51 HB3 LYS 51 -5.455 -0.586 12.393 392 HG2 LYS 51 HG2 LYS 51 -2.851 0.798 13.119 393 HG3 LYS 51 HG3 LYS 51 -4.086 1.555 12.110 394 HD2 LYS 51 HD2 LYS 51 -4.547 0.553 14.952 395 HD3 LYS 51 HD3 LYS 51 -4.191 2.231 14.528 396 HE2 LYS 51 HE2 LYS 51 -6.264 2.301 13.152 397 HE3 LYS 51 HE3 LYS 51 -6.620 0.635 13.618 398 HZ1 LYS 51 HZ1 LYS 51 -6.373 2.908 15.506 399 HZ2 LYS 51 HZ2 LYS 51 -6.836 1.324 15.890 400 HZ3 LYS 51 HZ3 LYS 51 -7.832 2.286 14.921 401 H VAL 52 H VAL 52 -2.642 -3.244 11.567 402 HA VAL 52 HA VAL 52 -4.795 -5.251 11.275 403 HB VAL 52 HB VAL 52 -4.580 -5.234 8.797 404 HG11 VAL 52 HG11 VAL 52 -5.811 -3.140 8.342 405 HG12 VAL 52 HG12 VAL 52 -5.332 -2.508 9.919 406 HG13 VAL 52 HG13 VAL 52 -6.389 -3.918 9.820 407 HG21 VAL 52 HG21 VAL 52 -2.809 -2.774 9.160 408 HG22 VAL 52 HG22 VAL 52 -3.411 -3.381 7.613 409 HG23 VAL 52 HG23 VAL 52 -2.283 -4.350 8.563 410 H VAL 53 H VAL 53 -4.163 -7.307 10.640 411 HA VAL 53 HA VAL 53 -1.257 -7.850 10.344 412 HB VAL 53 HB VAL 53 -1.931 -10.310 11.007 413 HG11 VAL 53 HG11 VAL 53 -1.463 -9.861 13.400 414 HG12 VAL 53 HG12 VAL 53 -1.746 -8.141 13.137 415 HG13 VAL 53 HG13 VAL 53 -0.392 -8.941 12.340 416 HG21 VAL 53 HG21 VAL 53 -4.377 -10.010 11.073 417 HG22 VAL 53 HG22 VAL 53 -4.215 -8.801 12.349 418 HG23 VAL 53 HG23 VAL 53 -3.775 -10.481 12.665 419 H ILE 54 H ILE 54 -0.835 -8.097 8.296 420 HA ILE 54 HA ILE 54 -2.868 -8.983 6.370 421 HB ILE 54 HB ILE 54 -0.043 -7.935 5.880 422 HG12 ILE 54 HG12 ILE 54 -2.690 -6.417 5.658 423 HG13 ILE 54 HG13 ILE 54 -1.591 -6.278 7.026 424 HG21 ILE 54 HG21 ILE 54 -0.850 -9.269 3.986 425 HG22 ILE 54 HG22 ILE 54 -0.822 -7.562 3.545 426 HG23 ILE 54 HG23 ILE 54 -2.354 -8.344 3.938 427 HD11 ILE 54 HD11 ILE 54 0.133 -5.375 5.520 428 HD12 ILE 54 HD12 ILE 54 -1.341 -4.408 5.534 429 HD13 ILE 54 HD13 ILE 54 -1.009 -5.480 4.176 430 H GLU 55 H GLU 55 -2.971 -11.114 5.895 431 HA GLU 55 HA GLU 55 -0.688 -12.872 6.526 432 HB2 GLU 55 HB2 GLU 55 -3.649 -13.539 6.227 433 HB3 GLU 55 HB3 GLU 55 -2.380 -14.679 6.683 434 HG2 GLU 55 HG2 GLU 55 -3.367 -12.290 8.282 435 HG3 GLU 55 HG3 GLU 55 -3.608 -13.992 8.663 436 H ARG 56 H ARG 56 0.499 -13.520 4.829 437 HA ARG 56 HA ARG 56 -0.549 -13.540 2.116 438 HB2 ARG 56 HB2 ARG 56 2.161 -14.537 3.096 439 HB3 ARG 56 HB3 ARG 56 1.698 -14.209 1.423 440 HG2 ARG 56 HG2 ARG 56 1.382 -11.786 2.080 441 HG3 ARG 56 HG3 ARG 56 2.047 -12.192 3.666 442 HD2 ARG 56 HD2 ARG 56 3.912 -11.370 2.511 443 HD3 ARG 56 HD3 ARG 56 4.093 -13.109 2.339 444 HE ARG 56 HE ARG 56 3.340 -12.934 0.074 445 HH11 ARG 56 HH11 ARG 56 3.972 -9.852 1.566 446 HH12 ARG 56 HH12 ARG 56 4.161 -9.056 0.044 447 HH21 ARG 56 HH21 ARG 56 3.552 -11.883 -1.835 448 HH22 ARG 56 HH22 ARG 56 3.946 -10.199 -1.866 449 H LYS 57 H LYS 57 -1.860 -15.140 1.545 450 HA LYS 57 HA LYS 57 -1.550 -17.872 2.640 451 HB2 LYS 57 HB2 LYS 57 -3.945 -16.742 1.130 452 HB3 LYS 57 HB3 LYS 57 -3.900 -18.153 2.184 453 HG2 LYS 57 HG2 LYS 57 -3.597 -15.258 3.086 454 HG3 LYS 57 HG3 LYS 57 -5.079 -16.211 3.194 455 HD2 LYS 57 HD2 LYS 57 -2.480 -16.977 4.588 456 HD3 LYS 57 HD3 LYS 57 -3.739 -16.003 5.351 457 HE2 LYS 57 HE2 LYS 57 -5.323 -17.848 5.200 458 HE3 LYS 57 HE3 LYS 57 -4.178 -18.811 4.266 459 HZ1 LYS 57 HZ1 LYS 57 -2.737 -18.946 6.138 460 HZ2 LYS 57 HZ2 LYS 57 -4.290 -19.413 6.638 461 HZ3 LYS 57 HZ3 LYS 57 -3.696 -17.886 7.039 462 H ASN 58 H ASN 58 -0.383 -19.160 1.292 463 HA ASN 58 HA ASN 58 0.829 -19.894 -0.493 464 HB2 ASN 58 HB2 ASN 58 -1.796 -19.429 -1.982 465 HB3 ASN 58 HB3 ASN 58 -0.477 -20.459 -2.530 466 HD21 ASN 58 HD21 ASN 58 -3.048 -20.118 -0.188 467 HD22 ASN 58 HD22 ASN 58 -3.074 -21.767 0.319 468 H GLY 59 H GLY 59 1.121 -17.056 0.008 469 HA2 GLY 59 HA2 GLY 59 2.507 -15.467 -1.042 470 HA3 GLY 59 HA3 GLY 59 2.079 -16.120 -2.612 471 H LEU 60 H LEU 60 -0.874 -15.934 -1.581 472 HA LEU 60 HA LEU 60 -1.474 -13.452 -2.907 473 HB2 LEU 60 HB2 LEU 60 -3.258 -15.484 -1.497 474 HB3 LEU 60 HB3 LEU 60 -3.886 -14.037 -2.264 475 HG LEU 60 HG LEU 60 -2.995 -14.866 -4.471 476 HD11 LEU 60 HD11 LEU 60 -2.379 -17.223 -4.750 477 HD12 LEU 60 HD12 LEU 60 -2.419 -17.449 -2.998 478 HD13 LEU 60 HD13 LEU 60 -1.226 -16.370 -3.723 479 HD21 LEU 60 HD21 LEU 60 -4.770 -16.534 -4.834 480 HD22 LEU 60 HD22 LEU 60 -5.350 -15.168 -3.884 481 HD23 LEU 60 HD23 LEU 60 -4.978 -16.699 -3.087 482 H ILE 61 H ILE 61 -2.116 -11.499 -2.037 483 HA ILE 61 HA ILE 61 -1.513 -11.047 0.781 484 HB ILE 61 HB ILE 61 -2.245 -9.019 -1.396 485 HG12 ILE 61 HG12 ILE 61 0.268 -8.364 -1.134 486 HG13 ILE 61 HG13 ILE 61 0.480 -9.903 -0.311 487 HG21 ILE 61 HG21 ILE 61 -1.430 -7.291 0.189 488 HG22 ILE 61 HG22 ILE 61 -1.203 -8.536 1.422 489 HG23 ILE 61 HG23 ILE 61 -2.825 -8.166 0.828 490 HD11 ILE 61 HD11 ILE 61 -0.423 -9.520 -3.170 491 HD12 ILE 61 HD12 ILE 61 -0.183 -11.071 -2.359 492 HD13 ILE 61 HD13 ILE 61 1.187 -9.996 -2.629 493 H GLU 62 H GLU 62 -3.131 -11.605 2.145 494 HA GLU 62 HA GLU 62 -5.923 -10.706 1.624 495 HB2 GLU 62 HB2 GLU 62 -5.654 -13.171 1.505 496 HB3 GLU 62 HB3 GLU 62 -4.948 -13.184 3.116 497 HG2 GLU 62 HG2 GLU 62 -7.066 -12.504 4.103 498 HG3 GLU 62 HG3 GLU 62 -7.783 -12.296 2.503 499 H ILE 63 H ILE 63 -6.712 -9.258 3.098 500 HA ILE 63 HA ILE 63 -4.922 -8.399 5.252 501 HB ILE 63 HB ILE 63 -7.459 -6.950 4.388 502 HG12 ILE 63 HG12 ILE 63 -6.143 -7.322 2.319 503 HG13 ILE 63 HG13 ILE 63 -6.154 -5.623 2.764 504 HG21 ILE 63 HG21 ILE 63 -6.432 -6.160 6.471 505 HG22 ILE 63 HG22 ILE 63 -6.260 -4.939 5.208 506 HG23 ILE 63 HG23 ILE 63 -4.878 -5.945 5.657 507 HD11 ILE 63 HD11 ILE 63 -3.875 -5.851 3.640 508 HD12 ILE 63 HD12 ILE 63 -3.993 -6.300 1.940 509 HD13 ILE 63 HD13 ILE 63 -3.873 -7.555 3.172 510 H TYR 64 H TYR 64 -5.295 -9.073 7.311 511 HA TYR 64 HA TYR 64 -8.078 -9.446 8.303 512 HB2 TYR 64 HB2 TYR 64 -5.423 -10.495 9.375 513 HB3 TYR 64 HB3 TYR 64 -6.917 -10.575 10.296 514 HD1 TYR 64 HD1 TYR 64 -5.580 -11.575 6.918 515 HD2 TYR 64 HD2 TYR 64 -8.167 -12.554 10.179 516 HE1 TYR 64 HE1 TYR 64 -6.082 -13.741 5.874 517 HE2 TYR 64 HE2 TYR 64 -8.668 -14.714 9.132 518 HH TYR 64 HH TYR 64 -6.986 -15.813 6.249 519 H ASN 65 H ASN 65 -8.540 -8.689 10.485 520 HA ASN 65 HA ASN 65 -7.274 -6.147 11.232 521 HB2 ASN 65 HB2 ASN 65 -9.575 -7.517 12.704 522 HB3 ASN 65 HB3 ASN 65 -9.139 -5.810 12.717 523 HD21 ASN 65 HD21 ASN 65 -11.689 -7.087 12.149 524 HD22 ASN 65 HD22 ASN 65 -12.142 -6.570 10.572 525 H GLU 66 H GLU 66 -6.357 -5.853 13.372 526 HA GLU 66 HA GLU 66 -5.425 -8.282 14.701 527 HB2 GLU 66 HB2 GLU 66 -4.922 -5.338 15.290 528 HB3 GLU 66 HB3 GLU 66 -4.265 -6.663 16.251 529 HG2 GLU 66 HG2 GLU 66 -3.193 -7.564 14.162 530 HG3 GLU 66 HG3 GLU 66 -3.740 -6.116 13.323 531 H GLY 67 H GLY 67 -7.483 -9.127 15.181 532 HA2 GLY 67 HA2 GLY 67 -9.417 -7.839 16.891 533 HA3 GLY 67 HA3 GLY 67 -9.421 -9.513 16.359 534 H HIS 68 H HIS 68 -6.607 -9.790 17.502 535 HA HIS 68 HA HIS 68 -7.270 -10.338 20.294 536 HB2 HIS 68 HB2 HIS 68 -4.705 -10.717 18.695 537 HB3 HIS 68 HB3 HIS 68 -4.890 -11.192 20.381 538 HD1 HIS 68 HD1 HIS 68 -6.022 -13.401 20.852 539 HD2 HIS 68 HD2 HIS 68 -6.280 -12.298 16.855 540 HE1 HIS 68 HE1 HIS 68 -6.935 -15.409 19.664 541 HE2 HIS 68 HE2 HIS 68 -7.321 -14.621 17.308 542 H PHE 69 H PHE 69 -6.147 -7.690 18.540 543 HA PHE 69 HA PHE 69 -4.842 -6.347 20.856 544 HB2 PHE 69 HB2 PHE 69 -4.407 -5.940 17.856 545 HB3 PHE 69 HB3 PHE 69 -3.590 -5.040 19.115 546 HD1 PHE 69 HD1 PHE 69 -3.820 -8.333 17.430 547 HD2 PHE 69 HD2 PHE 69 -1.713 -6.012 20.345 548 HE1 PHE 69 HE1 PHE 69 -2.008 -9.998 17.454 549 HE2 PHE 69 HE2 PHE 69 0.093 -7.682 20.358 550 HZ PHE 69 HZ PHE 69 -0.051 -9.671 18.915 551 H ASP 70 H ASP 70 -7.762 -6.493 19.912 552 HA ASP 70 HA ASP 70 -8.467 -4.185 18.412 553 HB2 ASP 70 HB2 ASP 70 -10.774 -4.881 18.774 554 HB3 ASP 70 HB3 ASP 70 -9.791 -6.306 18.462 555 H PHE 71 H PHE 71 -9.845 -2.426 19.040 556 HA PHE 71 HA PHE 71 -9.881 -1.681 21.920 557 HB2 PHE 71 HB2 PHE 71 -9.523 0.186 19.530 558 HB3 PHE 71 HB3 PHE 71 -9.768 0.728 21.185 559 HD1 PHE 71 HD1 PHE 71 -7.991 0.279 22.919 560 HD2 PHE 71 HD2 PHE 71 -7.336 -0.507 18.768 561 HE1 PHE 71 HE1 PHE 71 -5.563 0.227 23.307 562 HE2 PHE 71 HE2 PHE 71 -4.908 -0.560 19.164 563 HZ PHE 71 HZ PHE 71 -4.020 -0.192 21.433 564 H SER 72 H SER 72 -11.475 -0.854 18.791 565 HA SER 72 HA SER 72 -14.127 -0.933 20.110 566 HB2 SER 72 HB2 SER 72 -13.401 1.439 20.059 567 HB3 SER 72 HB3 SER 72 -13.143 1.336 18.320 568 HG SER 72 HG SER 72 -15.152 2.223 18.632 569 H PHE 73 H PHE 73 -15.933 -1.030 18.595 570 HA PHE 73 HA PHE 73 -15.294 -2.186 15.938 571 HB2 PHE 73 HB2 PHE 73 -17.541 -3.070 17.816 572 HB3 PHE 73 HB3 PHE 73 -17.252 -3.701 16.197 573 HD1 PHE 73 HD1 PHE 73 -15.128 -5.023 15.743 574 HD2 PHE 73 HD2 PHE 73 -16.343 -3.954 19.706 575 HE1 PHE 73 HE1 PHE 73 -13.614 -6.725 16.675 576 HE2 PHE 73 HE2 PHE 73 -14.826 -5.657 20.626 577 HZ PHE 73 HZ PHE 73 -13.457 -7.041 19.114 578 H GLY 74 H GLY 74 -16.881 -1.826 14.289 579 HA2 GLY 74 HA2 GLY 74 -19.108 -0.027 14.608 580 HA3 GLY 74 HA3 GLY 74 -17.703 0.777 13.917 581 H LEU 75 H LEU 75 -19.997 -1.871 13.467 582 HA LEU 75 HA LEU 75 -19.223 -2.436 10.730 583 HB2 LEU 75 HB2 LEU 75 -21.534 -3.423 12.456 584 HB3 LEU 75 HB3 LEU 75 -21.328 -3.897 10.779 585 HG LEU 75 HG LEU 75 -19.083 -4.894 11.402 586 HD11 LEU 75 HD11 LEU 75 -18.610 -3.671 13.461 587 HD12 LEU 75 HD12 LEU 75 -18.579 -5.410 13.739 588 HD13 LEU 75 HD13 LEU 75 -19.970 -4.459 14.267 589 HD21 LEU 75 HD21 LEU 75 -21.493 -6.096 12.807 590 HD22 LEU 75 HD22 LEU 75 -20.007 -6.949 12.374 591 HD23 LEU 75 HD23 LEU 75 -21.056 -6.316 11.109 592 H GLU 76 H GLU 76 -19.798 -1.165 9.090 593 HA GLU 76 HA GLU 76 -22.030 0.763 9.387 594 HB2 GLU 76 HB2 GLU 76 -19.741 1.706 9.137 595 HB3 GLU 76 HB3 GLU 76 -19.547 0.848 7.613 596 HG2 GLU 76 HG2 GLU 76 -21.413 2.209 6.660 597 HG3 GLU 76 HG3 GLU 76 -21.511 3.093 8.182 598 H HIS 77 H HIS 77 -23.621 0.929 7.788 599 HA HIS 77 HA HIS 77 -23.711 -0.944 5.558 600 HB2 HIS 77 HB2 HIS 77 -25.526 1.397 6.309 601 HB3 HIS 77 HB3 HIS 77 -25.804 0.336 4.928 602 HD1 HIS 77 HD1 HIS 77 -26.200 -2.248 5.534 603 HD2 HIS 77 HD2 HIS 77 -26.526 0.429 8.693 604 HE1 HIS 77 HE1 HIS 77 -27.448 -3.480 7.318 605 HE2 HIS 77 HE2 HIS 77 -27.515 -1.891 9.270 606 H HIS 78 H HIS 78 -21.603 -0.272 4.873 607 HA HIS 78 HA HIS 78 -20.808 2.185 3.827 608 HB2 HIS 78 HB2 HIS 78 -19.105 0.710 2.534 609 HB3 HIS 78 HB3 HIS 78 -19.109 0.592 4.288 610 HD1 HIS 78 HD1 HIS 78 -20.049 -1.586 5.345 611 HD2 HIS 78 HD2 HIS 78 -19.800 -1.686 1.196 612 HE1 HIS 78 HE1 HIS 78 -20.413 -3.976 4.710 613 HE2 HIS 78 HE2 HIS 78 -20.373 -4.005 2.204 614 H HIS 79 H HIS 79 -21.899 3.308 2.327 615 HA HIS 79 HA HIS 79 -23.460 2.094 0.214 616 HB2 HIS 79 HB2 HIS 79 -22.878 5.023 0.822 617 HB3 HIS 79 HB3 HIS 79 -24.010 4.463 -0.406 618 HD1 HIS 79 HD1 HIS 79 -26.171 3.211 0.482 619 HD2 HIS 79 HD2 HIS 79 -23.894 5.090 3.402 620 HE1 HIS 79 HE1 HIS 79 -27.648 3.331 2.505 621 HE2 HIS 79 HE2 HIS 79 -26.181 4.304 4.300 622 H HIS 80 H HIS 80 -21.788 0.966 -0.862 623 HA HIS 80 HA HIS 80 -19.739 2.292 -2.389 624 HB2 HIS 80 HB2 HIS 80 -19.495 0.053 -3.525 625 HB3 HIS 80 HB3 HIS 80 -19.402 -0.037 -1.776 626 HD1 HIS 80 HD1 HIS 80 -21.382 -1.229 -4.677 627 HD2 HIS 80 HD2 HIS 80 -21.622 -1.364 -0.529 628 HE1 HIS 80 HE1 HIS 80 -23.124 -2.958 -4.165 629 HE2 HIS 80 HE2 HIS 80 -23.371 -2.902 -1.669 630 H HIS 81 H HIS 81 -20.102 3.504 -4.175 631 HA HIS 81 HA HIS 81 -22.529 3.405 -5.725 632 HB2 HIS 81 HB2 HIS 81 -19.873 4.751 -6.404 633 HB3 HIS 81 HB3 HIS 81 -21.406 5.032 -7.229 634 HD1 HIS 81 HD1 HIS 81 -19.345 6.513 -4.760 635 HD2 HIS 81 HD2 HIS 81 -23.448 6.022 -5.164 636 HE1 HIS 81 HE1 HIS 81 -20.363 8.163 -3.185 637 HE2 HIS 81 HE2 HIS 81 -22.838 7.982 -3.583 638 H HIS 82 H HIS 82 -19.149 2.485 -6.381 639 HA HIS 82 HA HIS 82 -19.873 0.029 -7.688 640 HB2 HIS 82 HB2 HIS 82 -20.165 1.718 -9.543 641 HB3 HIS 82 HB3 HIS 82 -18.470 2.156 -9.379 642 HD1 HIS 82 HD1 HIS 82 -20.678 -0.731 -10.422 643 HD2 HIS 82 HD2 HIS 82 -16.717 0.485 -10.753 644 HE1 HIS 82 HE1 HIS 82 -19.620 -2.327 -12.040 645 HE2 HIS 82 HE2 HIS 82 -17.287 -1.450 -12.370 646 H1 MET 1 H MET 1 4.125 -13.032 10.960 647 HA MET 1 HA MET 1 6.129 -13.207 9.468 648 HB2 MET 1 HB2 MET 1 4.330 -14.872 9.212 649 HB3 MET 1 HB3 MET 1 3.424 -13.779 8.180 650 HG2 MET 1 HG2 MET 1 5.275 -13.928 6.499 651 HG3 MET 1 HG3 MET 1 6.052 -15.136 7.528 652 HE1 MET 1 HE1 MET 1 6.072 -16.888 5.458 653 HE2 MET 1 HE2 MET 1 5.309 -15.670 4.433 654 HE3 MET 1 HE3 MET 1 4.630 -17.295 4.528 655 H ASP 2 H ASP 2 3.371 -11.589 7.805 656 HA ASP 2 HA ASP 2 5.047 -10.557 5.717 657 HB2 ASP 2 HB2 ASP 2 2.675 -11.226 5.338 658 HB3 ASP 2 HB3 ASP 2 2.152 -9.858 6.319 659 H LYS 3 H LYS 3 4.059 -9.260 8.808 660 HA LYS 3 HA LYS 3 4.531 -6.497 8.379 661 HB2 LYS 3 HB2 LYS 3 4.986 -8.158 10.894 662 HB3 LYS 3 HB3 LYS 3 4.969 -6.393 10.853 663 HG2 LYS 3 HG2 LYS 3 2.612 -8.142 10.049 664 HG3 LYS 3 HG3 LYS 3 2.831 -7.479 11.666 665 HD2 LYS 3 HD2 LYS 3 2.952 -5.432 9.500 666 HD3 LYS 3 HD3 LYS 3 1.404 -6.267 9.598 667 HE2 LYS 3 HE2 LYS 3 2.759 -4.855 11.929 668 HE3 LYS 3 HE3 LYS 3 1.466 -4.166 10.944 669 HZ1 LYS 3 HZ1 LYS 3 0.520 -5.062 12.934 670 HZ2 LYS 3 HZ2 LYS 3 1.289 -6.550 12.719 671 HZ3 LYS 3 HZ3 LYS 3 0.063 -6.071 11.658 672 H LYS 4 H LYS 4 6.764 -9.176 8.647 673 HA LYS 4 HA LYS 4 9.164 -7.491 8.617 674 HB2 LYS 4 HB2 LYS 4 8.739 -10.503 8.603 675 HB3 LYS 4 HB3 LYS 4 10.335 -9.779 8.404 676 HG2 LYS 4 HG2 LYS 4 8.535 -9.360 10.820 677 HG3 LYS 4 HG3 LYS 4 9.854 -10.536 10.732 678 HD2 LYS 4 HD2 LYS 4 11.462 -8.654 10.346 679 HD3 LYS 4 HD3 LYS 4 10.130 -7.504 10.510 680 HE2 LYS 4 HE2 LYS 4 9.784 -8.247 12.847 681 HE3 LYS 4 HE3 LYS 4 11.104 -9.413 12.673 682 HZ1 LYS 4 HZ1 LYS 4 12.605 -7.553 12.254 683 HZ2 LYS 4 HZ2 LYS 4 11.869 -7.437 13.768 684 HZ3 LYS 4 HZ3 LYS 4 11.339 -6.460 12.491 685 H ILE 5 H ILE 5 7.356 -9.644 6.409 686 HA ILE 5 HA ILE 5 9.228 -9.692 4.286 687 HB ILE 5 HB ILE 5 6.212 -10.135 4.178 688 HG12 ILE 5 HG12 ILE 5 8.526 -12.127 4.379 689 HG13 ILE 5 HG13 ILE 5 7.412 -11.712 5.676 690 HG21 ILE 5 HG21 ILE 5 8.291 -10.839 2.061 691 HG22 ILE 5 HG22 ILE 5 7.027 -9.617 1.913 692 HG23 ILE 5 HG23 ILE 5 6.591 -11.320 2.024 693 HD11 ILE 5 HD11 ILE 5 6.866 -13.860 4.723 694 HD12 ILE 5 HD12 ILE 5 6.710 -13.152 3.118 695 HD13 ILE 5 HD13 ILE 5 5.568 -12.713 4.391 696 H VAL 6 H VAL 6 6.346 -7.553 4.738 697 HA VAL 6 HA VAL 6 6.673 -5.991 2.423 698 HB VAL 6 HB VAL 6 5.353 -4.205 3.522 699 HG11 VAL 6 HG11 VAL 6 4.163 -6.086 2.495 700 HG12 VAL 6 HG12 VAL 6 3.287 -5.494 3.906 701 HG13 VAL 6 HG13 VAL 6 4.227 -6.985 4.015 702 HG21 VAL 6 HG21 VAL 6 4.514 -4.479 5.850 703 HG22 VAL 6 HG22 VAL 6 6.267 -4.303 5.807 704 HG23 VAL 6 HG23 VAL 6 5.549 -5.894 6.056 705 H GLY 7 H GLY 7 8.383 -5.862 5.505 706 HA2 GLY 7 HA2 GLY 7 9.750 -3.403 5.221 707 HA3 GLY 7 HA3 GLY 7 10.331 -4.802 6.112 708 H ALA 8 H ALA 8 10.725 -6.694 4.224 709 HA ALA 8 HA ALA 8 13.170 -6.009 2.947 710 HB1 ALA 8 HB1 ALA 8 13.040 -8.273 1.953 711 HB2 ALA 8 HB2 ALA 8 11.353 -8.398 2.465 712 HB3 ALA 8 HB3 ALA 8 12.638 -8.299 3.671 713 H ASN 9 H ASN 9 9.883 -6.433 1.699 714 HA ASN 9 HA ASN 9 10.415 -6.058 -1.063 715 HB2 ASN 9 HB2 ASN 9 7.832 -5.845 0.538 716 HB3 ASN 9 HB3 ASN 9 7.893 -5.727 -1.221 717 HD21 ASN 9 HD21 ASN 9 6.605 -7.561 -1.474 718 HD22 ASN 9 HD22 ASN 9 7.185 -9.154 -1.154 719 H ALA 10 H ALA 10 9.618 -3.799 1.557 720 HA ALA 10 HA ALA 10 8.933 -1.555 -0.091 721 HB1 ALA 10 HB1 ALA 10 9.070 -0.247 1.992 722 HB2 ALA 10 HB2 ALA 10 9.821 -1.616 2.817 723 HB3 ALA 10 HB3 ALA 10 8.159 -1.734 2.236 724 H GLY 11 H GLY 11 11.887 -2.659 1.535 725 HA2 GLY 11 HA2 GLY 11 13.632 -0.536 0.975 726 HA3 GLY 11 HA3 GLY 11 14.109 -2.220 1.162 727 H LYS 12 H LYS 12 12.900 -3.435 -0.945 728 HA LYS 12 HA LYS 12 14.592 -2.955 -3.161 729 HB2 LYS 12 HB2 LYS 12 13.576 -5.145 -2.552 730 HB3 LYS 12 HB3 LYS 12 11.991 -4.543 -3.019 731 HG2 LYS 12 HG2 LYS 12 12.708 -4.400 -5.364 732 HG3 LYS 12 HG3 LYS 12 14.347 -4.895 -4.916 733 HD2 LYS 12 HD2 LYS 12 13.454 -7.078 -4.111 734 HD3 LYS 12 HD3 LYS 12 11.827 -6.585 -4.588 735 HE2 LYS 12 HE2 LYS 12 12.793 -8.085 -6.252 736 HE3 LYS 12 HE3 LYS 12 12.568 -6.485 -6.947 737 HZ1 LYS 12 HZ1 LYS 12 14.926 -6.061 -6.605 738 HZ2 LYS 12 HZ2 LYS 12 14.674 -7.413 -7.587 739 HZ3 LYS 12 HZ3 LYS 12 15.126 -7.614 -5.971 740 H VAL 13 H VAL 13 11.161 -2.122 -2.617 741 HA VAL 13 HA VAL 13 10.610 -0.902 -5.122 742 HB VAL 13 HB VAL 13 9.271 -0.553 -2.402 743 HG11 VAL 13 HG11 VAL 13 8.764 1.442 -3.754 744 HG12 VAL 13 HG12 VAL 13 7.328 0.431 -3.601 745 HG13 VAL 13 HG13 VAL 13 8.256 0.424 -5.105 746 HG21 VAL 13 HG21 VAL 13 8.416 -2.175 -4.839 747 HG22 VAL 13 HG22 VAL 13 7.529 -2.052 -3.316 748 HG23 VAL 13 HG23 VAL 13 9.108 -2.835 -3.355 749 H TRP 14 H TRP 14 11.924 0.384 -2.117 750 HA TRP 14 HA TRP 14 11.899 3.154 -2.892 751 HB2 TRP 14 HB2 TRP 14 11.897 2.323 -0.497 752 HB3 TRP 14 HB3 TRP 14 13.584 1.866 -0.697 753 HD1 TRP 14 HD1 TRP 14 11.337 4.982 -0.374 754 HE1 TRP 14 HE1 TRP 14 12.825 6.999 0.199 755 HE3 TRP 14 HE3 TRP 14 15.892 2.797 -0.938 756 HZ2 TRP 14 HZ2 TRP 14 15.581 7.601 0.377 757 HZ3 TRP 14 HZ3 TRP 14 17.930 4.146 -0.555 758 HH2 TRP 14 HH2 TRP 14 17.769 6.503 0.089 759 H HIS 15 H HIS 15 14.292 0.547 -3.116 760 HA HIS 15 HA HIS 15 16.576 2.058 -3.834 761 HB2 HIS 15 HB2 HIS 15 15.837 -0.798 -4.581 762 HB3 HIS 15 HB3 HIS 15 17.416 -0.083 -4.887 763 HD1 HIS 15 HD1 HIS 15 16.854 -2.584 -3.026 764 HD2 HIS 15 HD2 HIS 15 17.497 1.319 -1.733 765 HE1 HIS 15 HE1 HIS 15 17.668 -2.784 -0.663 766 HE2 HIS 15 HE2 HIS 15 18.109 -0.425 0.082 767 H ALA 16 H ALA 16 13.832 0.957 -5.737 768 HA ALA 16 HA ALA 16 14.729 1.557 -8.341 769 HB1 ALA 16 HB1 ALA 16 11.906 1.733 -7.246 770 HB2 ALA 16 HB2 ALA 16 12.680 0.278 -7.875 771 HB3 ALA 16 HB3 ALA 16 12.354 1.634 -8.956 772 H LEU 17 H LEU 17 13.537 3.726 -5.786 773 HA LEU 17 HA LEU 17 13.091 6.063 -7.323 774 HB2 LEU 17 HB2 LEU 17 13.785 5.677 -4.405 775 HB3 LEU 17 HB3 LEU 17 13.577 7.283 -5.083 776 HG LEU 17 HG LEU 17 11.425 5.129 -4.976 777 HD11 LEU 17 HD11 LEU 17 11.705 7.704 -3.382 778 HD12 LEU 17 HD12 LEU 17 11.923 6.066 -2.760 779 HD13 LEU 17 HD13 LEU 17 10.337 6.585 -3.320 780 HD21 LEU 17 HD21 LEU 17 11.147 6.540 -6.960 781 HD22 LEU 17 HD22 LEU 17 11.276 8.000 -5.974 782 HD23 LEU 17 HD23 LEU 17 9.899 6.912 -5.770 783 H ASN 18 H ASN 18 16.078 4.756 -5.919 784 HA ASN 18 HA ASN 18 17.793 6.959 -6.293 785 HB2 ASN 18 HB2 ASN 18 18.371 4.935 -4.940 786 HB3 ASN 18 HB3 ASN 18 18.492 3.984 -6.417 787 HD21 ASN 18 HD21 ASN 18 19.969 6.578 -4.544 788 HD22 ASN 18 HD22 ASN 18 21.525 6.465 -5.281 789 H GLU 19 H GLU 19 16.483 4.716 -8.620 790 HA GLU 19 HA GLU 19 18.321 5.552 -10.778 791 HB2 GLU 19 HB2 GLU 19 17.882 3.118 -10.485 792 HB3 GLU 19 HB3 GLU 19 16.157 3.395 -10.701 793 HG2 GLU 19 HG2 GLU 19 16.531 4.102 -13.020 794 HG3 GLU 19 HG3 GLU 19 18.270 3.939 -12.808 795 H ALA 20 H ALA 20 14.887 5.642 -9.831 796 HA ALA 20 HA ALA 20 14.225 7.700 -11.795 797 HB1 ALA 20 HB1 ALA 20 14.006 5.614 -13.097 798 HB2 ALA 20 HB2 ALA 20 12.435 6.377 -12.860 799 HB3 ALA 20 HB3 ALA 20 12.886 4.969 -11.895 800 H ASP 21 H ASP 21 12.419 8.904 -11.217 801 HA ASP 21 HA ASP 21 10.845 8.108 -8.837 802 HB2 ASP 21 HB2 ASP 21 10.887 10.410 -7.989 803 HB3 ASP 21 HB3 ASP 21 12.526 9.790 -8.140 804 H GLY 22 H GLY 22 8.833 9.529 -8.619 805 HA2 GLY 22 HA2 GLY 22 6.816 10.293 -9.405 806 HA3 GLY 22 HA3 GLY 22 7.634 10.774 -10.880 807 H ILE 23 H ILE 23 8.003 7.469 -10.166 808 HA ILE 23 HA ILE 23 6.411 6.745 -12.491 809 HB ILE 23 HB ILE 23 8.680 5.881 -12.388 810 HG12 ILE 23 HG12 ILE 23 6.706 3.592 -11.954 811 HG13 ILE 23 HG13 ILE 23 6.942 4.452 -13.472 812 HG21 ILE 23 HG21 ILE 23 9.032 5.846 -9.959 813 HG22 ILE 23 HG22 ILE 23 9.477 4.297 -10.675 814 HG23 ILE 23 HG23 ILE 23 7.949 4.459 -9.803 815 HD11 ILE 23 HD11 ILE 23 8.058 2.322 -13.506 816 HD12 ILE 23 HD12 ILE 23 8.970 2.730 -12.055 817 HD13 ILE 23 HD13 ILE 23 9.253 3.617 -13.557 818 H SER 24 H SER 24 4.494 5.692 -12.445 819 HA SER 24 HA SER 24 3.033 5.400 -10.005 820 HB2 SER 24 HB2 SER 24 2.345 4.599 -12.858 821 HB3 SER 24 HB3 SER 24 1.214 4.486 -11.502 822 HG SER 24 HG SER 24 1.332 6.698 -11.246 823 H ILE 25 H ILE 25 1.838 3.445 -9.405 824 HA ILE 25 HA ILE 25 3.683 1.634 -8.381 825 HB ILE 25 HB ILE 25 0.648 1.449 -8.452 826 HG12 ILE 25 HG12 ILE 25 2.522 2.527 -6.285 827 HG13 ILE 25 HG13 ILE 25 1.582 3.520 -7.389 828 HG21 ILE 25 HG21 ILE 25 2.579 -0.084 -6.671 829 HG22 ILE 25 HG22 ILE 25 1.563 -0.768 -7.942 830 HG23 ILE 25 HG23 ILE 25 0.824 -0.071 -6.502 831 HD11 ILE 25 HD11 ILE 25 -0.489 2.656 -6.393 832 HD12 ILE 25 HD12 ILE 25 0.554 3.438 -5.206 833 HD13 ILE 25 HD13 ILE 25 0.465 1.680 -5.272 834 HA PRO 26 HA PRO 26 2.051 -1.930 -11.327 835 HB2 PRO 26 HB2 PRO 26 1.147 -1.265 -13.844 836 HB3 PRO 26 HB3 PRO 26 0.080 -1.431 -12.443 837 HG2 PRO 26 HG2 PRO 26 1.292 1.078 -13.609 838 HG3 PRO 26 HG3 PRO 26 -0.396 0.771 -13.138 839 HD2 PRO 26 HD2 PRO 26 1.267 2.108 -11.491 840 HD3 PRO 26 HD3 PRO 26 0.075 0.962 -10.837 841 H GLU 27 H GLU 27 3.605 0.893 -12.790 842 HA GLU 27 HA GLU 27 5.326 -0.583 -14.607 843 HB2 GLU 27 HB2 GLU 27 5.504 2.305 -13.643 844 HB3 GLU 27 HB3 GLU 27 6.364 1.621 -15.030 845 HG2 GLU 27 HG2 GLU 27 3.380 2.102 -14.749 846 HG3 GLU 27 HG3 GLU 27 4.504 2.910 -15.843 847 H LEU 28 H LEU 28 5.626 1.111 -11.590 848 HA LEU 28 HA LEU 28 8.261 0.622 -10.817 849 HB2 LEU 28 HB2 LEU 28 6.760 2.237 -9.794 850 HB3 LEU 28 HB3 LEU 28 5.654 0.966 -9.308 851 HG LEU 28 HG LEU 28 7.325 0.155 -7.661 852 HD11 LEU 28 HD11 LEU 28 9.274 1.535 -7.080 853 HD12 LEU 28 HD12 LEU 28 8.958 2.586 -8.462 854 HD13 LEU 28 HD13 LEU 28 9.406 0.897 -8.719 855 HD21 LEU 28 HD21 LEU 28 5.540 1.689 -7.016 856 HD22 LEU 28 HD22 LEU 28 6.552 3.077 -7.428 857 HD23 LEU 28 HD23 LEU 28 7.003 2.022 -6.082 858 H ALA 29 H ALA 29 5.321 -1.337 -10.414 859 HA ALA 29 HA ALA 29 6.339 -3.470 -8.867 860 HB1 ALA 29 HB1 ALA 29 4.351 -4.722 -9.587 861 HB2 ALA 29 HB2 ALA 29 4.051 -3.539 -10.866 862 HB3 ALA 29 HB3 ALA 29 3.926 -3.058 -9.174 863 H ARG 30 H ARG 30 6.198 -2.985 -12.385 864 HA ARG 30 HA ARG 30 7.262 -5.444 -13.271 865 HB2 ARG 30 HB2 ARG 30 7.411 -2.655 -14.489 866 HB3 ARG 30 HB3 ARG 30 7.977 -4.101 -15.327 867 HG2 ARG 30 HG2 ARG 30 5.722 -5.039 -15.314 868 HG3 ARG 30 HG3 ARG 30 5.124 -3.673 -14.367 869 HD2 ARG 30 HD2 ARG 30 5.462 -2.151 -16.215 870 HD3 ARG 30 HD3 ARG 30 6.328 -3.380 -17.147 871 HE ARG 30 HE ARG 30 3.937 -4.543 -16.755 872 HH11 ARG 30 HH11 ARG 30 4.630 -1.358 -17.935 873 HH12 ARG 30 HH12 ARG 30 3.271 -1.364 -18.993 874 HH21 ARG 30 HH21 ARG 30 2.241 -4.513 -18.126 875 HH22 ARG 30 HH22 ARG 30 1.946 -3.122 -19.110 876 H LYS 31 H LYS 31 8.901 -2.435 -12.280 877 HA LYS 31 HA LYS 31 11.560 -3.285 -12.943 878 HB2 LYS 31 HB2 LYS 31 10.641 -1.037 -11.096 879 HB3 LYS 31 HB3 LYS 31 12.290 -1.258 -11.685 880 HG2 LYS 31 HG2 LYS 31 11.410 -0.989 -14.030 881 HG3 LYS 31 HG3 LYS 31 9.831 -0.604 -13.339 882 HD2 LYS 31 HD2 LYS 31 10.961 1.467 -13.898 883 HD3 LYS 31 HD3 LYS 31 10.868 1.337 -12.141 884 HE2 LYS 31 HE2 LYS 31 13.076 2.164 -12.883 885 HE3 LYS 31 HE3 LYS 31 13.222 0.614 -12.056 886 HZ1 LYS 31 HZ1 LYS 31 14.579 0.728 -14.057 887 HZ2 LYS 31 HZ2 LYS 31 13.198 0.972 -15.002 888 HZ3 LYS 31 HZ3 LYS 31 13.411 -0.487 -14.184 889 H VAL 32 H VAL 32 9.647 -3.332 -9.944 890 HA VAL 32 HA VAL 32 11.873 -4.470 -8.402 891 HB VAL 32 HB VAL 32 10.548 -4.126 -6.414 892 HG11 VAL 32 HG11 VAL 32 10.320 -1.726 -8.278 893 HG12 VAL 32 HG12 VAL 32 11.709 -2.149 -7.273 894 HG13 VAL 32 HG13 VAL 32 10.191 -1.664 -6.518 895 HG21 VAL 32 HG21 VAL 32 8.325 -4.817 -7.211 896 HG22 VAL 32 HG22 VAL 32 8.204 -3.374 -8.218 897 HG23 VAL 32 HG23 VAL 32 8.224 -3.224 -6.459 898 H ASN 33 H ASN 33 9.672 -5.756 -10.458 899 HA ASN 33 HA ASN 33 9.275 -7.898 -11.066 900 HB2 ASN 33 HB2 ASN 33 11.652 -8.215 -10.259 901 HB3 ASN 33 HB3 ASN 33 11.020 -8.713 -8.699 902 HD21 ASN 33 HD21 ASN 33 11.977 -10.753 -8.835 903 HD22 ASN 33 HD22 ASN 33 11.432 -11.969 -9.932 904 H LEU 34 H LEU 34 7.767 -6.527 -8.617 905 HA LEU 34 HA LEU 34 6.483 -8.932 -7.443 906 HB2 LEU 34 HB2 LEU 34 6.235 -6.049 -6.477 907 HB3 LEU 34 HB3 LEU 34 5.700 -7.498 -5.641 908 HG LEU 34 HG LEU 34 8.588 -6.658 -6.117 909 HD11 LEU 34 HD11 LEU 34 7.478 -5.343 -4.378 910 HD12 LEU 34 HD12 LEU 34 8.708 -6.394 -3.685 911 HD13 LEU 34 HD13 LEU 34 7.000 -6.822 -3.535 912 HD21 LEU 34 HD21 LEU 34 9.237 -8.614 -4.754 913 HD22 LEU 34 HD22 LEU 34 8.436 -9.093 -6.246 914 HD23 LEU 34 HD23 LEU 34 7.553 -9.149 -4.718 915 H SER 35 H SER 35 4.060 -8.600 -6.898 916 HA SER 35 HA SER 35 2.502 -7.829 -9.192 917 HB2 SER 35 HB2 SER 35 1.691 -9.611 -7.722 918 HB3 SER 35 HB3 SER 35 1.654 -8.518 -6.338 919 HG SER 35 HG SER 35 -0.379 -8.993 -7.671 920 H VAL 36 H VAL 36 0.839 -6.167 -9.239 921 HA VAL 36 HA VAL 36 1.621 -3.580 -8.485 922 HB VAL 36 HB VAL 36 -1.200 -4.542 -9.140 923 HG11 VAL 36 HG11 VAL 36 -0.059 -1.715 -9.241 924 HG12 VAL 36 HG12 VAL 36 -1.286 -2.311 -8.116 925 HG13 VAL 36 HG13 VAL 36 -1.654 -2.193 -9.837 926 HG21 VAL 36 HG21 VAL 36 -0.706 -3.856 -11.468 927 HG22 VAL 36 HG22 VAL 36 0.389 -5.128 -10.926 928 HG23 VAL 36 HG23 VAL 36 0.949 -3.456 -11.001 929 H GLU 37 H GLU 37 -0.654 -5.818 -6.911 930 HA GLU 37 HA GLU 37 -1.562 -4.154 -4.807 931 HB2 GLU 37 HB2 GLU 37 -1.321 -7.192 -4.855 932 HB3 GLU 37 HB3 GLU 37 -2.265 -6.262 -3.689 933 HG2 GLU 37 HG2 GLU 37 -3.691 -5.427 -5.539 934 HG3 GLU 37 HG3 GLU 37 -2.760 -6.400 -6.679 935 H SER 38 H SER 38 1.116 -6.527 -4.873 936 HA SER 38 HA SER 38 1.834 -6.231 -2.114 937 HB2 SER 38 HB2 SER 38 3.821 -7.618 -2.708 938 HB3 SER 38 HB3 SER 38 2.312 -8.323 -3.285 939 HG SER 38 HG SER 38 4.186 -8.207 -4.781 940 H THR 39 H THR 39 2.908 -4.699 -5.089 941 HA THR 39 HA THR 39 5.151 -3.289 -3.981 942 HB THR 39 HB THR 39 3.538 -2.739 -6.510 943 HG1 THR 39 HG1 THR 39 4.640 -4.622 -6.779 944 HG21 THR 39 HG21 THR 39 6.225 -1.565 -5.686 945 HG22 THR 39 HG22 THR 39 4.709 -0.668 -5.833 946 HG23 THR 39 HG23 THR 39 5.459 -1.374 -7.266 947 H ALA 40 H ALA 40 1.742 -2.360 -4.661 948 HA ALA 40 HA ALA 40 1.796 0.306 -3.734 949 HB1 ALA 40 HB1 ALA 40 -0.659 0.117 -3.563 950 HB2 ALA 40 HB2 ALA 40 -0.536 -1.643 -3.679 951 HB3 ALA 40 HB3 ALA 40 -0.069 -0.634 -5.048 952 H LEU 41 H LEU 41 1.260 -2.714 -2.013 953 HA LEU 41 HA LEU 41 0.650 -1.769 0.583 954 HB2 LEU 41 HB2 LEU 41 0.624 -4.184 -0.546 955 HB3 LEU 41 HB3 LEU 41 2.254 -4.287 0.081 956 HG LEU 41 HG LEU 41 -0.369 -4.197 1.606 957 HD11 LEU 41 HD11 LEU 41 1.962 -6.128 1.637 958 HD12 LEU 41 HD12 LEU 41 0.407 -6.366 0.836 959 HD13 LEU 41 HD13 LEU 41 0.482 -6.279 2.594 960 HD21 LEU 41 HD21 LEU 41 0.870 -4.110 3.741 961 HD22 LEU 41 HD22 LEU 41 1.045 -2.623 2.821 962 HD23 LEU 41 HD23 LEU 41 2.369 -3.790 2.865 963 H ALA 42 H ALA 42 3.721 -2.787 -0.896 964 HA ALA 42 HA ALA 42 5.478 -2.243 1.240 965 HB1 ALA 42 HB1 ALA 42 6.055 -3.694 -0.656 966 HB2 ALA 42 HB2 ALA 42 7.258 -2.422 -0.459 967 HB3 ALA 42 HB3 ALA 42 6.053 -2.303 -1.743 968 H VAL 43 H VAL 43 4.206 -0.176 -1.307 969 HA VAL 43 HA VAL 43 5.847 2.128 -0.876 970 HB VAL 43 HB VAL 43 3.104 1.785 -2.166 971 HG11 VAL 43 HG11 VAL 43 3.172 4.089 -1.327 972 HG12 VAL 43 HG12 VAL 43 3.317 4.085 -3.083 973 HG13 VAL 43 HG13 VAL 43 4.748 4.346 -2.083 974 HG21 VAL 43 HG21 VAL 43 4.995 0.790 -3.411 975 HG22 VAL 43 HG22 VAL 43 5.833 2.342 -3.404 976 HG23 VAL 43 HG23 VAL 43 4.315 2.161 -4.289 977 H GLY 44 H GLY 44 2.726 1.072 0.484 978 HA2 GLY 44 HA2 GLY 44 2.212 3.284 2.190 979 HA3 GLY 44 HA3 GLY 44 1.608 1.647 2.412 980 H TRP 45 H TRP 45 4.202 0.370 2.632 981 HA TRP 45 HA TRP 45 4.866 0.849 5.392 982 HB2 TRP 45 HB2 TRP 45 4.922 -1.411 4.240 983 HB3 TRP 45 HB3 TRP 45 6.376 -0.887 3.396 984 HD1 TRP 45 HD1 TRP 45 8.653 -1.193 4.694 985 HE1 TRP 45 HE1 TRP 45 9.290 -2.080 7.011 986 HE3 TRP 45 HE3 TRP 45 3.997 -1.388 6.830 987 HZ2 TRP 45 HZ2 TRP 45 8.032 -2.765 9.426 988 HZ3 TRP 45 HZ3 TRP 45 3.809 -2.167 9.160 989 HH2 TRP 45 HH2 TRP 45 5.786 -2.841 10.431 990 H LEU 46 H LEU 46 6.251 1.873 2.315 991 HA LEU 46 HA LEU 46 8.611 3.101 3.391 992 HB2 LEU 46 HB2 LEU 46 7.082 3.560 0.808 993 HB3 LEU 46 HB3 LEU 46 8.569 4.413 1.200 994 HG LEU 46 HG LEU 46 8.293 1.403 0.829 995 HD11 LEU 46 HD11 LEU 46 9.690 1.706 -1.165 996 HD12 LEU 46 HD12 LEU 46 9.685 3.455 -0.925 997 HD13 LEU 46 HD13 LEU 46 8.178 2.609 -1.302 998 HD21 LEU 46 HD21 LEU 46 9.958 1.920 2.548 999 HD22 LEU 46 HD22 LEU 46 10.767 3.048 1.456 1000 HD23 LEU 46 HD23 LEU 46 10.737 1.323 1.085 1001 H ALA 47 H ALA 47 5.301 4.263 2.778 1002 HA ALA 47 HA ALA 47 5.625 6.930 3.710 1003 HB1 ALA 47 HB1 ALA 47 3.164 6.938 3.961 1004 HB2 ALA 47 HB2 ALA 47 3.136 5.182 3.758 1005 HB3 ALA 47 HB3 ALA 47 3.649 6.217 2.423 1006 H ARG 48 H ARG 48 5.042 3.854 5.380 1007 HA ARG 48 HA ARG 48 4.590 4.722 8.005 1008 HB2 ARG 48 HB2 ARG 48 4.153 2.450 7.446 1009 HB3 ARG 48 HB3 ARG 48 5.745 2.206 6.770 1010 HG2 ARG 48 HG2 ARG 48 5.584 2.759 9.709 1011 HG3 ARG 48 HG3 ARG 48 4.995 1.200 9.147 1012 HD2 ARG 48 HD2 ARG 48 7.182 0.703 8.157 1013 HD3 ARG 48 HD3 ARG 48 7.780 2.294 8.638 1014 HE ARG 48 HE ARG 48 6.875 1.104 10.950 1015 HH11 ARG 48 HH11 ARG 48 9.305 0.292 8.606 1016 HH12 ARG 48 HH12 ARG 48 10.318 -0.455 9.786 1017 HH21 ARG 48 HH21 ARG 48 8.150 0.142 12.401 1018 HH22 ARG 48 HH22 ARG 48 9.665 -0.538 11.924 1019 H GLU 49 H GLU 49 7.660 4.003 6.334 1020 HA GLU 49 HA GLU 49 9.311 4.902 8.565 1021 HB2 GLU 49 HB2 GLU 49 10.055 4.042 5.748 1022 HB3 GLU 49 HB3 GLU 49 11.204 4.345 7.052 1023 HG2 GLU 49 HG2 GLU 49 10.335 2.471 8.322 1024 HG3 GLU 49 HG3 GLU 49 9.035 2.225 7.158 1025 H ASN 50 H ASN 50 7.571 6.579 6.347 1026 HA ASN 50 HA ASN 50 7.396 8.744 5.733 1027 HB2 ASN 50 HB2 ASN 50 9.652 9.318 7.710 1028 HB3 ASN 50 HB3 ASN 50 8.467 10.472 7.102 1029 HD21 ASN 50 HD21 ASN 50 9.025 7.844 9.322 1030 HD22 ASN 50 HD22 ASN 50 7.553 8.007 10.207 1031 H LYS 51 H LYS 51 9.381 6.974 4.347 1032 HA LYS 51 HA LYS 51 11.470 8.844 3.423 1033 HB2 LYS 51 HB2 LYS 51 12.642 6.779 2.624 1034 HB3 LYS 51 HB3 LYS 51 12.322 6.798 4.356 1035 HG2 LYS 51 HG2 LYS 51 10.242 5.369 3.827 1036 HG3 LYS 51 HG3 LYS 51 10.945 5.143 2.220 1037 HD2 LYS 51 HD2 LYS 51 12.309 4.413 4.848 1038 HD3 LYS 51 HD3 LYS 51 11.435 3.275 3.826 1039 HE2 LYS 51 HE2 LYS 51 13.070 3.741 1.993 1040 HE3 LYS 51 HE3 LYS 51 13.969 4.778 3.099 1041 HZ1 LYS 51 HZ1 LYS 51 13.464 1.882 3.450 1042 HZ2 LYS 51 HZ2 LYS 51 14.303 2.866 4.534 1043 HZ3 LYS 51 HZ3 LYS 51 14.927 2.589 2.991 1044 H VAL 52 H VAL 52 8.467 8.173 2.300 1045 HA VAL 52 HA VAL 52 9.302 8.882 -0.460 1046 HB VAL 52 HB VAL 52 7.301 7.717 -1.425 1047 HG11 VAL 52 HG11 VAL 52 9.238 5.854 -0.008 1048 HG12 VAL 52 HG12 VAL 52 9.501 6.642 -1.564 1049 HG13 VAL 52 HG13 VAL 52 8.229 5.434 -1.395 1050 HG21 VAL 52 HG21 VAL 52 5.875 7.562 0.581 1051 HG22 VAL 52 HG22 VAL 52 7.011 6.438 1.327 1052 HG23 VAL 52 HG23 VAL 52 6.119 5.958 -0.118 1053 H VAL 53 H VAL 53 7.944 10.306 -1.577 1054 HA VAL 53 HA VAL 53 6.017 11.847 0.065 1055 HB VAL 53 HB VAL 53 7.370 12.716 -2.540 1056 HG11 VAL 53 HG11 VAL 53 5.799 14.331 -0.483 1057 HG12 VAL 53 HG12 VAL 53 5.264 13.916 -2.114 1058 HG13 VAL 53 HG13 VAL 53 6.633 15.005 -1.888 1059 HG21 VAL 53 HG21 VAL 53 8.866 14.126 -1.146 1060 HG22 VAL 53 HG22 VAL 53 9.091 12.410 -0.803 1061 HG23 VAL 53 HG23 VAL 53 8.172 13.420 0.317 1062 H ILE 54 H ILE 54 4.025 10.883 -0.238 1063 HA ILE 54 HA ILE 54 3.165 9.740 -2.758 1064 HB ILE 54 HB ILE 54 1.435 10.330 -0.309 1065 HG12 ILE 54 HG12 ILE 54 3.362 8.888 0.337 1066 HG13 ILE 54 HG13 ILE 54 1.834 8.028 0.457 1067 HG21 ILE 54 HG21 ILE 54 0.093 9.884 -2.309 1068 HG22 ILE 54 HG22 ILE 54 -0.052 8.542 -1.174 1069 HG23 ILE 54 HG23 ILE 54 0.974 8.380 -2.600 1070 HD11 ILE 54 HD11 ILE 54 3.559 6.606 -0.432 1071 HD12 ILE 54 HD12 ILE 54 3.872 7.741 -1.743 1072 HD13 ILE 54 HD13 ILE 54 2.326 6.890 -1.660 1073 H GLU 55 H GLU 55 2.504 10.968 -4.425 1074 HA GLU 55 HA GLU 55 0.972 13.478 -3.972 1075 HB2 GLU 55 HB2 GLU 55 3.149 12.887 -6.018 1076 HB3 GLU 55 HB3 GLU 55 2.086 14.289 -6.122 1077 HG2 GLU 55 HG2 GLU 55 3.979 13.704 -3.823 1078 HG3 GLU 55 HG3 GLU 55 4.329 14.791 -5.163 1079 H ARG 56 H ARG 56 -0.550 14.055 -5.610 1080 HA ARG 56 HA ARG 56 -1.428 11.894 -7.458 1081 HB2 ARG 56 HB2 ARG 56 -3.099 14.009 -6.022 1082 HB3 ARG 56 HB3 ARG 56 -3.723 12.949 -7.286 1083 HG2 ARG 56 HG2 ARG 56 -3.285 10.978 -5.870 1084 HG3 ARG 56 HG3 ARG 56 -2.629 12.023 -4.602 1085 HD2 ARG 56 HD2 ARG 56 -4.786 13.071 -4.260 1086 HD3 ARG 56 HD3 ARG 56 -5.468 12.264 -5.676 1087 HE ARG 56 HE ARG 56 -4.963 11.104 -3.038 1088 HH11 ARG 56 HH11 ARG 56 -5.986 10.520 -6.296 1089 HH12 ARG 56 HH12 ARG 56 -6.843 9.082 -5.879 1090 HH21 ARG 56 HH21 ARG 56 -6.060 9.248 -2.543 1091 HH22 ARG 56 HH22 ARG 56 -6.874 8.368 -3.783 1092 H LYS 57 H LYS 57 -0.578 12.498 -9.448 1093 HA LYS 57 HA LYS 57 -1.373 15.173 -10.488 1094 HB2 LYS 57 HB2 LYS 57 1.064 13.503 -11.241 1095 HB3 LYS 57 HB3 LYS 57 0.473 14.824 -12.238 1096 HG2 LYS 57 HG2 LYS 57 2.177 15.837 -11.024 1097 HG3 LYS 57 HG3 LYS 57 0.732 16.300 -10.123 1098 HD2 LYS 57 HD2 LYS 57 1.211 14.443 -8.499 1099 HD3 LYS 57 HD3 LYS 57 2.693 14.084 -9.394 1100 HE2 LYS 57 HE2 LYS 57 3.237 15.438 -7.449 1101 HE3 LYS 57 HE3 LYS 57 3.504 16.401 -8.903 1102 HZ1 LYS 57 HZ1 LYS 57 1.434 17.525 -8.527 1103 HZ2 LYS 57 HZ2 LYS 57 2.353 17.606 -7.112 1104 HZ3 LYS 57 HZ3 LYS 57 1.064 16.524 -7.221 1105 H ASN 58 H ASN 58 -2.752 15.194 -12.146 1106 HA ASN 58 HA ASN 58 -4.180 14.610 -13.811 1107 HB2 ASN 58 HB2 ASN 58 -2.134 12.427 -14.414 1108 HB3 ASN 58 HB3 ASN 58 -3.414 12.943 -15.505 1109 HD21 ASN 58 HD21 ASN 58 -0.484 12.971 -15.823 1110 HD22 ASN 58 HD22 ASN 58 -0.072 14.600 -16.211 1111 H GLY 59 H GLY 59 -4.578 13.481 -11.164 1112 HA2 GLY 59 HA2 GLY 59 -6.101 12.119 -10.091 1113 HA3 GLY 59 HA3 GLY 59 -6.614 11.503 -11.652 1114 H LEU 60 H LEU 60 -3.251 11.281 -11.026 1115 HA LEU 60 HA LEU 60 -3.434 8.357 -10.559 1116 HB2 LEU 60 HB2 LEU 60 -2.918 9.013 -12.918 1117 HB3 LEU 60 HB3 LEU 60 -1.514 9.901 -12.356 1118 HG LEU 60 HG LEU 60 -0.467 7.770 -11.610 1119 HD11 LEU 60 HD11 LEU 60 -2.468 6.459 -11.105 1120 HD12 LEU 60 HD12 LEU 60 -1.444 5.602 -12.254 1121 HD13 LEU 60 HD13 LEU 60 -2.905 6.422 -12.816 1122 HD21 LEU 60 HD21 LEU 60 0.030 8.640 -13.856 1123 HD22 LEU 60 HD22 LEU 60 -1.345 7.755 -14.524 1124 HD23 LEU 60 HD23 LEU 60 0.032 6.877 -13.853 1125 H ILE 61 H ILE 61 -2.018 7.502 -9.067 1126 HA ILE 61 HA ILE 61 -0.699 9.343 -7.249 1127 HB ILE 61 HB ILE 61 -0.917 6.291 -7.100 1128 HG12 ILE 61 HG12 ILE 61 -2.498 6.887 -5.099 1129 HG13 ILE 61 HG13 ILE 61 -2.555 8.508 -5.776 1130 HG21 ILE 61 HG21 ILE 61 0.126 8.234 -5.000 1131 HG22 ILE 61 HG22 ILE 61 1.079 7.047 -5.894 1132 HG23 ILE 61 HG23 ILE 61 -0.144 6.505 -4.745 1133 HD11 ILE 61 HD11 ILE 61 -3.489 5.973 -7.128 1134 HD12 ILE 61 HD12 ILE 61 -3.554 7.595 -7.824 1135 HD13 ILE 61 HD13 ILE 61 -4.503 7.213 -6.390 1136 H GLU 62 H GLU 62 1.380 9.917 -7.390 1137 HA GLU 62 HA GLU 62 3.394 8.172 -8.700 1138 HB2 GLU 62 HB2 GLU 62 3.285 11.227 -8.817 1139 HB3 GLU 62 HB3 GLU 62 4.524 10.207 -9.549 1140 HG2 GLU 62 HG2 GLU 62 2.718 9.205 -10.999 1141 HG3 GLU 62 HG3 GLU 62 1.600 10.408 -10.353 1142 H ILE 63 H ILE 63 5.210 7.790 -7.506 1143 HA ILE 63 HA ILE 63 5.469 9.100 -4.871 1144 HB ILE 63 HB ILE 63 7.180 7.076 -4.497 1145 HG12 ILE 63 HG12 ILE 63 6.190 4.939 -5.615 1146 HG13 ILE 63 HG13 ILE 63 5.458 6.017 -6.792 1147 HG21 ILE 63 HG21 ILE 63 5.175 7.479 -3.179 1148 HG22 ILE 63 HG22 ILE 63 5.361 5.757 -3.512 1149 HG23 ILE 63 HG23 ILE 63 4.173 6.707 -4.412 1150 HD11 ILE 63 HD11 ILE 63 8.414 5.710 -6.290 1151 HD12 ILE 63 HD12 ILE 63 7.662 6.725 -7.524 1152 HD13 ILE 63 HD13 ILE 63 7.496 4.973 -7.603 1153 H TYR 64 H TYR 64 7.039 10.492 -4.452 1154 HA TYR 64 HA TYR 64 9.419 10.657 -6.228 1155 HB2 TYR 64 HB2 TYR 64 8.212 12.784 -4.399 1156 HB3 TYR 64 HB3 TYR 64 9.644 13.006 -5.398 1157 HD1 TYR 64 HD1 TYR 64 9.153 12.232 -8.020 1158 HD2 TYR 64 HD2 TYR 64 6.281 13.796 -5.270 1159 HE1 TYR 64 HE1 TYR 64 7.757 12.980 -9.899 1160 HE2 TYR 64 HE2 TYR 64 4.885 14.532 -7.149 1161 HH TYR 64 HH TYR 64 5.233 13.473 -10.255 1162 H ASN 65 H ASN 65 11.450 11.394 -5.166 1163 HA ASN 65 HA ASN 65 12.242 9.750 -2.985 1164 HB2 ASN 65 HB2 ASN 65 13.628 12.149 -4.258 1165 HB3 ASN 65 HB3 ASN 65 14.397 11.022 -3.142 1166 HD21 ASN 65 HD21 ASN 65 15.021 9.001 -3.905 1167 HD22 ASN 65 HD22 ASN 65 14.971 8.578 -5.576 1168 H GLU 66 H GLU 66 12.563 10.190 -0.833 1169 HA GLU 66 HA GLU 66 11.085 11.911 0.652 1170 HB2 GLU 66 HB2 GLU 66 12.744 11.490 2.501 1171 HB3 GLU 66 HB3 GLU 66 12.193 10.046 1.666 1172 HG2 GLU 66 HG2 GLU 66 14.274 9.876 0.430 1173 HG3 GLU 66 HG3 GLU 66 14.825 11.427 1.059 1174 H GLY 67 H GLY 67 14.252 12.711 -0.747 1175 HA2 GLY 67 HA2 GLY 67 15.199 14.588 1.062 1176 HA3 GLY 67 HA3 GLY 67 15.668 14.503 -0.620 1177 H HIS 68 H HIS 68 12.649 15.224 -1.227 1178 HA HIS 68 HA HIS 68 12.996 18.144 -0.950 1179 HB2 HIS 68 HB2 HIS 68 12.589 17.206 -3.237 1180 HB3 HIS 68 HB3 HIS 68 11.014 16.630 -2.702 1181 HD1 HIS 68 HD1 HIS 68 12.878 19.958 -2.874 1182 HD2 HIS 68 HD2 HIS 68 9.037 18.433 -3.246 1183 HE1 HIS 68 HE1 HIS 68 11.439 21.918 -3.483 1184 HE2 HIS 68 HE2 HIS 68 9.153 20.937 -3.863 1185 H PHE 69 H PHE 69 10.713 15.538 -0.077 1186 HA PHE 69 HA PHE 69 8.780 15.433 1.137 1187 HB2 PHE 69 HB2 PHE 69 10.282 17.557 2.724 1188 HB3 PHE 69 HB3 PHE 69 8.807 16.793 3.299 1189 HD1 PHE 69 HD1 PHE 69 8.902 14.073 3.118 1190 HD2 PHE 69 HD2 PHE 69 12.279 16.661 3.599 1191 HE1 PHE 69 HE1 PHE 69 10.193 12.218 4.089 1192 HE2 PHE 69 HE2 PHE 69 13.563 14.794 4.569 1193 HZ PHE 69 HZ PHE 69 12.520 12.574 4.816 1194 H ASP 70 H ASP 70 8.323 16.886 -1.137 1195 HA ASP 70 HA ASP 70 7.300 18.567 -2.251 1196 HB2 ASP 70 HB2 ASP 70 4.911 18.718 -1.849 1197 HB3 ASP 70 HB3 ASP 70 5.450 17.063 -1.634 1198 H PHE 71 H PHE 71 8.993 19.648 -0.066 1199 HA PHE 71 HA PHE 71 8.033 22.413 -0.038 1200 HB2 PHE 71 HB2 PHE 71 7.081 21.489 2.049 1201 HB3 PHE 71 HB3 PHE 71 8.656 20.873 2.535 1202 HD1 PHE 71 HD2 PHE 71 6.783 24.046 1.831 1203 HD2 PHE 71 HD1 PHE 71 10.138 22.267 3.810 1204 HE1 PHE 71 HE2 PHE 71 7.239 26.168 2.987 1205 HE2 PHE 71 HE1 PHE 71 10.584 24.396 4.958 1206 HZ PHE 71 HZ PHE 71 9.137 26.348 4.547 1207 H SER 72 H SER 72 9.743 23.514 -0.837 1208 HA SER 72 HA SER 72 12.471 22.556 -0.630 1209 HB2 SER 72 HB2 SER 72 11.600 23.706 -2.691 1210 HB3 SER 72 HB3 SER 72 11.498 25.209 -1.775 1211 HG SER 72 HG SER 72 13.550 25.468 -2.085 1212 H PHE 73 H PHE 73 14.034 23.221 0.781 1213 HA PHE 73 HA PHE 73 13.664 25.639 2.427 1214 HB2 PHE 73 HB2 PHE 73 12.668 23.749 3.723 1215 HB3 PHE 73 HB3 PHE 73 14.193 22.877 3.629 1216 HD1 PHE 73 HD1 PHE 73 12.587 25.962 5.005 1217 HD2 PHE 73 HD2 PHE 73 15.931 23.302 5.242 1218 HE1 PHE 73 HE1 PHE 73 13.325 27.059 7.079 1219 HE2 PHE 73 HE2 PHE 73 16.655 24.407 7.314 1220 HZ PHE 73 HZ PHE 73 15.356 26.282 8.235 1221 H GLY 74 H GLY 74 15.594 26.560 3.193 1222 HA2 GLY 74 HA2 GLY 74 18.145 25.345 3.233 1223 HA3 GLY 74 HA3 GLY 74 17.963 26.205 1.708 1224 H LEU 75 H LEU 75 17.681 26.651 5.242 1225 HA LEU 75 HA LEU 75 18.551 29.482 4.962 1226 HB2 LEU 75 HB2 LEU 75 16.559 28.411 7.005 1227 HB3 LEU 75 HB3 LEU 75 17.103 30.078 6.870 1228 HG LEU 75 HG LEU 75 15.418 28.591 4.810 1229 HD11 LEU 75 HD11 LEU 75 13.582 30.062 5.488 1230 HD12 LEU 75 HD12 LEU 75 14.603 30.797 6.727 1231 HD13 LEU 75 HD13 LEU 75 14.154 29.095 6.848 1232 HD21 LEU 75 HD21 LEU 75 16.863 30.242 3.714 1233 HD22 LEU 75 HD22 LEU 75 16.295 31.501 4.811 1234 HD23 LEU 75 HD23 LEU 75 15.177 30.758 3.664 1235 H GLU 76 H GLU 76 18.175 26.946 7.509 1236 HA GLU 76 HA GLU 76 20.241 28.287 9.124 1237 HB2 GLU 76 HB2 GLU 76 19.345 26.967 11.019 1238 HB3 GLU 76 HB3 GLU 76 18.085 27.898 10.215 1239 HG2 GLU 76 HG2 GLU 76 17.188 25.933 9.154 1240 HG3 GLU 76 HG3 GLU 76 18.570 24.955 9.656 1241 H HIS 77 H HIS 77 21.764 27.048 10.394 1242 HA HIS 77 HA HIS 77 22.410 24.294 9.561 1243 HB2 HIS 77 HB2 HIS 77 24.441 26.564 9.743 1244 HB3 HIS 77 HB3 HIS 77 24.869 24.861 9.607 1245 HD1 HIS 77 HD1 HIS 77 24.056 27.802 7.601 1246 HD2 HIS 77 HD2 HIS 77 24.046 23.678 7.055 1247 HE1 HIS 77 HE1 HIS 77 23.946 27.452 5.118 1248 HE2 HIS 77 HE2 HIS 77 23.882 24.956 4.810 1249 H HIS 78 H HIS 78 22.278 23.097 11.341 1250 HA HIS 78 HA HIS 78 22.292 24.148 14.016 1251 HB2 HIS 78 HB2 HIS 78 20.786 22.320 13.289 1252 HB3 HIS 78 HB3 HIS 78 22.170 21.278 12.987 1253 HD1 HIS 78 HD1 HIS 78 20.253 22.876 15.831 1254 HD2 HIS 78 HD2 HIS 78 23.065 19.873 15.210 1255 HE1 HIS 78 HE1 HIS 78 20.480 21.698 18.036 1256 HE2 HIS 78 HE2 HIS 78 22.198 19.905 17.652 1257 H HIS 79 H HIS 79 24.851 23.265 12.011 1258 HA HIS 79 HA HIS 79 26.567 21.757 13.710 1259 HB2 HIS 79 HB2 HIS 79 26.596 21.829 11.187 1260 HB3 HIS 79 HB3 HIS 79 27.301 23.433 11.273 1261 HD1 HIS 79 HD1 HIS 79 29.807 23.581 11.957 1262 HD2 HIS 79 HD2 HIS 79 28.373 19.697 11.634 1263 HE1 HIS 79 HE1 HIS 79 31.845 22.127 11.896 1264 HE2 HIS 79 HE2 HIS 79 30.954 19.815 11.479 1265 H HIS 80 H HIS 80 25.701 24.932 14.263 1266 HA HIS 80 HA HIS 80 28.127 26.151 15.053 1267 HB2 HIS 80 HB2 HIS 80 26.617 27.600 16.549 1268 HB3 HIS 80 HB3 HIS 80 26.269 27.611 14.830 1269 HD1 HIS 80 HD1 HIS 80 23.940 26.911 14.102 1270 HD2 HIS 80 HD2 HIS 80 24.620 26.213 18.144 1271 HE1 HIS 80 HE1 HIS 80 21.700 26.329 15.070 1272 HE2 HIS 80 HE2 HIS 80 22.131 25.907 17.508 1273 H HIS 81 H HIS 81 29.370 24.542 16.058 1274 HA HIS 81 HA HIS 81 29.360 24.483 18.906 1275 HB2 HIS 81 HB2 HIS 81 27.558 22.790 18.563 1276 HB3 HIS 81 HB3 HIS 81 28.623 21.840 17.536 1277 HD1 HIS 81 HD1 HIS 81 30.448 20.425 18.706 1278 HD2 HIS 81 HD2 HIS 81 28.032 22.539 21.350 1279 HE1 HIS 81 HE1 HIS 81 30.935 19.466 20.969 1280 HE2 HIS 81 HE2 HIS 81 29.413 20.693 22.539 1281 H HIS 82 H HIS 82 31.434 24.052 19.615 1282 HA HIS 82 HA HIS 82 33.629 23.741 17.870 1283 HB2 HIS 82 HB2 HIS 82 33.936 24.802 20.029 1284 HB3 HIS 82 HB3 HIS 82 33.384 23.366 20.876 1285 HD1 HIS 82 HD1 HIS 82 35.127 21.675 21.530 1286 HD2 HIS 82 HD2 HIS 82 36.604 24.493 18.847 1287 HE1 HIS 82 HE1 HIS 82 37.597 21.268 21.423 1288 HE2 HIS 82 HE2 HIS 82 38.458 22.903 19.718 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.833 16.036 -3.694 2 H2 MET 1 H2 MET 1 1.182 14.766 -2.771 3 H3 MET 1 H3 MET 1 2.826 15.149 -2.654 4 HA MET 1 HA MET 1 2.389 17.216 -1.649 5 HB2 MET 1 HB2 MET 1 0.013 17.900 -1.128 6 HB3 MET 1 HB3 MET 1 0.429 17.923 -2.833 7 HG2 MET 1 HG2 MET 1 -0.734 15.749 -3.124 8 HG3 MET 1 HG3 MET 1 -1.214 15.802 -1.422 9 HE1 MET 1 HE1 MET 1 -3.153 15.612 -4.125 10 HE2 MET 1 HE2 MET 1 -4.493 16.633 -3.605 11 HE3 MET 1 HE3 MET 1 -3.789 15.469 -2.484 12 H ASP 2 H ASP 2 0.161 17.008 0.442 13 HA ASP 2 HA ASP 2 1.453 15.977 2.584 14 HB2 ASP 2 HB2 ASP 2 -1.564 15.960 2.126 15 HB3 ASP 2 HB3 ASP 2 -0.789 15.782 3.697 16 H LYS 3 H LYS 3 2.032 14.042 3.327 17 HA LYS 3 HA LYS 3 1.105 11.504 2.307 18 HB2 LYS 3 HB2 LYS 3 3.404 11.941 3.149 19 HB3 LYS 3 HB3 LYS 3 2.764 12.226 4.760 20 HG2 LYS 3 HG2 LYS 3 2.243 9.924 5.073 21 HG3 LYS 3 HG3 LYS 3 2.444 9.566 3.354 22 HD2 LYS 3 HD2 LYS 3 4.374 8.783 4.747 23 HD3 LYS 3 HD3 LYS 3 4.845 9.920 3.486 24 HE2 LYS 3 HE2 LYS 3 6.018 10.418 5.575 25 HE3 LYS 3 HE3 LYS 3 4.926 11.738 5.168 26 HZ1 LYS 3 HZ1 LYS 3 4.419 9.601 7.163 27 HZ2 LYS 3 HZ2 LYS 3 3.342 10.846 6.769 28 HZ3 LYS 3 HZ3 LYS 3 4.824 11.210 7.501 29 H LYS 4 H LYS 4 -0.128 13.746 4.522 30 HA LYS 4 HA LYS 4 -1.696 12.219 6.285 31 HB2 LYS 4 HB2 LYS 4 -2.232 14.956 5.059 32 HB3 LYS 4 HB3 LYS 4 -3.050 14.311 6.484 33 HG2 LYS 4 HG2 LYS 4 -0.990 14.355 7.766 34 HG3 LYS 4 HG3 LYS 4 -0.049 14.761 6.330 35 HD2 LYS 4 HD2 LYS 4 -0.387 16.723 7.786 36 HD3 LYS 4 HD3 LYS 4 -1.124 16.958 6.200 37 HE2 LYS 4 HE2 LYS 4 -3.340 16.483 7.133 38 HE3 LYS 4 HE3 LYS 4 -2.632 16.135 8.712 39 HZ1 LYS 4 HZ1 LYS 4 -3.586 18.367 8.549 40 HZ2 LYS 4 HZ2 LYS 4 -2.481 18.757 7.329 41 HZ3 LYS 4 HZ3 LYS 4 -1.930 18.405 8.889 42 H ILE 5 H ILE 5 -2.075 12.677 2.836 43 HA ILE 5 HA ILE 5 -4.801 12.134 2.436 44 HB ILE 5 HB ILE 5 -2.448 11.183 0.735 45 HG12 ILE 5 HG12 ILE 5 -4.195 13.656 0.319 46 HG13 ILE 5 HG13 ILE 5 -2.606 13.695 1.074 47 HG21 ILE 5 HG21 ILE 5 -4.067 11.008 -1.147 48 HG22 ILE 5 HG22 ILE 5 -5.388 11.377 -0.036 49 HG23 ILE 5 HG23 ILE 5 -4.458 9.891 0.165 50 HD11 ILE 5 HD11 ILE 5 -1.601 12.867 -1.015 51 HD12 ILE 5 HD12 ILE 5 -2.468 14.384 -1.236 52 HD13 ILE 5 HD13 ILE 5 -3.200 12.871 -1.771 53 H VAL 6 H VAL 6 -2.086 9.754 2.560 54 HA VAL 6 HA VAL 6 -3.771 7.448 2.559 55 HB VAL 6 HB VAL 6 -1.805 6.086 3.037 56 HG11 VAL 6 HG11 VAL 6 -1.121 8.308 1.078 57 HG12 VAL 6 HG12 VAL 6 -2.082 6.867 0.727 58 HG13 VAL 6 HG13 VAL 6 -0.371 6.709 1.133 59 HG21 VAL 6 HG21 VAL 6 -0.266 8.666 3.547 60 HG22 VAL 6 HG22 VAL 6 0.431 7.046 3.489 61 HG23 VAL 6 HG23 VAL 6 -0.708 7.468 4.767 62 H GLY 7 H GLY 7 -2.566 9.517 5.118 63 HA2 GLY 7 HA2 GLY 7 -3.239 7.908 7.365 64 HA3 GLY 7 HA3 GLY 7 -3.087 9.655 7.353 65 H ALA 8 H ALA 8 -5.101 10.281 5.507 66 HA ALA 8 HA ALA 8 -7.400 10.364 7.186 67 HB1 ALA 8 HB1 ALA 8 -8.439 11.616 5.337 68 HB2 ALA 8 HB2 ALA 8 -7.119 11.144 4.259 69 HB3 ALA 8 HB3 ALA 8 -6.798 12.189 5.645 70 H ASN 9 H ASN 9 -6.877 8.766 4.001 71 HA ASN 9 HA ASN 9 -9.454 7.541 3.901 72 HB2 ASN 9 HB2 ASN 9 -8.548 6.303 1.917 73 HB3 ASN 9 HB3 ASN 9 -8.342 8.044 1.832 74 HD21 ASN 9 HD21 ASN 9 -6.631 7.968 0.371 75 HD22 ASN 9 HD22 ASN 9 -5.073 7.354 0.782 76 H ALA 10 H ALA 10 -6.555 6.589 5.508 77 HA ALA 10 HA ALA 10 -6.898 3.759 5.567 78 HB1 ALA 10 HB1 ALA 10 -5.196 3.799 7.341 79 HB2 ALA 10 HB2 ALA 10 -5.354 5.554 7.465 80 HB3 ALA 10 HB3 ALA 10 -4.727 4.826 5.984 81 H GLY 11 H GLY 11 -8.219 6.387 7.502 82 HA2 GLY 11 HA2 GLY 11 -9.096 4.918 9.776 83 HA3 GLY 11 HA3 GLY 11 -9.738 6.461 9.233 84 H LYS 12 H LYS 12 -10.738 5.765 6.741 85 HA LYS 12 HA LYS 12 -13.281 4.647 7.334 86 HB2 LYS 12 HB2 LYS 12 -13.062 6.327 5.608 87 HB3 LYS 12 HB3 LYS 12 -11.918 5.341 4.708 88 HG2 LYS 12 HG2 LYS 12 -13.682 3.748 4.140 89 HG3 LYS 12 HG3 LYS 12 -14.836 4.633 5.134 90 HD2 LYS 12 HD2 LYS 12 -15.133 5.086 2.712 91 HD3 LYS 12 HD3 LYS 12 -14.758 6.548 3.621 92 HE2 LYS 12 HE2 LYS 12 -12.542 5.030 2.229 93 HE3 LYS 12 HE3 LYS 12 -13.587 6.104 1.306 94 HZ1 LYS 12 HZ1 LYS 12 -11.958 6.905 3.653 95 HZ2 LYS 12 HZ2 LYS 12 -12.943 7.924 2.734 96 HZ3 LYS 12 HZ3 LYS 12 -11.580 7.210 2.037 97 H VAL 13 H VAL 13 -10.479 3.322 5.513 98 HA VAL 13 HA VAL 13 -11.770 0.877 4.796 99 HB VAL 13 HB VAL 13 -9.862 1.863 3.511 100 HG11 VAL 13 HG11 VAL 13 -8.393 2.536 5.362 101 HG12 VAL 13 HG12 VAL 13 -7.531 1.511 4.216 102 HG13 VAL 13 HG13 VAL 13 -8.084 0.844 5.754 103 HG21 VAL 13 HG21 VAL 13 -8.766 -0.269 2.927 104 HG22 VAL 13 HG22 VAL 13 -10.508 -0.472 3.127 105 HG23 VAL 13 HG23 VAL 13 -9.408 -1.005 4.399 106 H TRP 14 H TRP 14 -9.768 1.818 7.550 107 HA TRP 14 HA TRP 14 -9.513 -0.789 8.716 108 HB2 TRP 14 HB2 TRP 14 -8.015 1.179 9.249 109 HB3 TRP 14 HB3 TRP 14 -9.338 1.892 10.160 110 HD1 TRP 14 HD1 TRP 14 -6.864 -1.102 10.322 111 HE1 TRP 14 HE1 TRP 14 -6.772 -1.922 12.749 112 HE3 TRP 14 HE3 TRP 14 -10.545 1.802 12.303 113 HZ2 TRP 14 HZ2 TRP 14 -8.062 -1.410 15.195 114 HZ3 TRP 14 HZ3 TRP 14 -11.061 1.600 14.712 115 HH2 TRP 14 HH2 TRP 14 -9.840 0.016 16.129 116 H HIS 15 H HIS 15 -11.931 1.793 9.023 117 HA HIS 15 HA HIS 15 -13.497 0.758 11.141 118 HB2 HIS 15 HB2 HIS 15 -13.799 3.050 10.337 119 HB3 HIS 15 HB3 HIS 15 -14.301 2.474 8.754 120 HD1 HIS 15 HD1 HIS 15 -15.519 2.297 12.364 121 HD2 HIS 15 HD2 HIS 15 -17.020 2.287 8.491 122 HE1 HIS 15 HE1 HIS 15 -18.009 2.314 12.612 123 HE2 HIS 15 HE2 HIS 15 -18.879 2.053 10.277 124 H ALA 16 H ALA 16 -13.499 0.040 7.681 125 HA ALA 16 HA ALA 16 -15.738 -1.681 7.521 126 HB1 ALA 16 HB1 ALA 16 -14.719 -2.494 5.433 127 HB2 ALA 16 HB2 ALA 16 -13.187 -1.732 5.875 128 HB3 ALA 16 HB3 ALA 16 -14.603 -0.735 5.545 129 H LEU 17 H LEU 17 -12.422 -2.260 8.561 130 HA LEU 17 HA LEU 17 -12.489 -5.129 8.589 131 HB2 LEU 17 HB2 LEU 17 -10.624 -3.245 10.072 132 HB3 LEU 17 HB3 LEU 17 -10.341 -4.959 9.783 133 HG LEU 17 HG LEU 17 -10.530 -2.847 7.592 134 HD11 LEU 17 HD11 LEU 17 -8.566 -2.447 8.987 135 HD12 LEU 17 HD12 LEU 17 -8.105 -3.018 7.382 136 HD13 LEU 17 HD13 LEU 17 -8.038 -4.122 8.760 137 HD21 LEU 17 HD21 LEU 17 -11.181 -5.082 6.807 138 HD22 LEU 17 HD22 LEU 17 -9.669 -5.760 7.418 139 HD23 LEU 17 HD23 LEU 17 -9.645 -4.588 6.097 140 H ASN 18 H ASN 18 -13.143 -2.620 11.042 141 HA ASN 18 HA ASN 18 -13.447 -4.276 13.322 142 HB2 ASN 18 HB2 ASN 18 -14.777 -1.620 12.641 143 HB3 ASN 18 HB3 ASN 18 -14.921 -2.405 14.213 144 HD21 ASN 18 HD21 ASN 18 -13.912 -0.791 15.341 145 HD22 ASN 18 HD22 ASN 18 -12.234 -0.426 15.183 146 H GLU 19 H GLU 19 -15.703 -3.485 10.722 147 HA GLU 19 HA GLU 19 -17.961 -4.908 11.813 148 HB2 GLU 19 HB2 GLU 19 -18.358 -3.124 10.207 149 HB3 GLU 19 HB3 GLU 19 -17.302 -3.879 9.023 150 HG2 GLU 19 HG2 GLU 19 -19.624 -4.147 8.372 151 HG3 GLU 19 HG3 GLU 19 -18.908 -5.713 8.724 152 H ALA 20 H ALA 20 -15.556 -5.585 9.256 153 HA ALA 20 HA ALA 20 -15.767 -8.464 9.577 154 HB1 ALA 20 HB1 ALA 20 -16.492 -8.894 7.256 155 HB2 ALA 20 HB2 ALA 20 -16.666 -7.158 6.983 156 HB3 ALA 20 HB3 ALA 20 -17.713 -7.979 8.142 157 H ASP 21 H ASP 21 -13.543 -8.553 9.916 158 HA ASP 21 HA ASP 21 -11.726 -7.610 7.809 159 HB2 ASP 21 HB2 ASP 21 -9.911 -8.143 9.312 160 HB3 ASP 21 HB3 ASP 21 -11.116 -7.222 10.193 161 H GLY 22 H GLY 22 -10.180 -9.119 6.820 162 HA2 GLY 22 HA2 GLY 22 -9.720 -11.170 5.754 163 HA3 GLY 22 HA3 GLY 22 -11.122 -11.897 6.535 164 H ILE 23 H ILE 23 -10.297 -9.328 4.251 165 HA ILE 23 HA ILE 23 -12.404 -10.090 2.378 166 HB ILE 23 HB ILE 23 -13.600 -8.554 3.833 167 HG12 ILE 23 HG12 ILE 23 -12.855 -7.066 1.276 168 HG13 ILE 23 HG13 ILE 23 -14.032 -8.370 1.375 169 HG21 ILE 23 HG21 ILE 23 -11.403 -6.505 3.398 170 HG22 ILE 23 HG22 ILE 23 -11.717 -7.393 4.891 171 HG23 ILE 23 HG23 ILE 23 -12.906 -6.236 4.290 172 HD11 ILE 23 HD11 ILE 23 -14.252 -5.659 2.686 173 HD12 ILE 23 HD12 ILE 23 -15.432 -6.965 2.837 174 HD13 ILE 23 HD13 ILE 23 -15.128 -6.227 1.265 175 H SER 24 H SER 24 -11.636 -9.967 0.353 176 HA SER 24 HA SER 24 -8.960 -9.462 -0.280 177 HB2 SER 24 HB2 SER 24 -11.358 -9.547 -2.160 178 HB3 SER 24 HB3 SER 24 -9.670 -9.720 -2.655 179 HG SER 24 HG SER 24 -9.708 -11.561 -1.055 180 H ILE 25 H ILE 25 -7.933 -7.812 -1.600 181 HA ILE 25 HA ILE 25 -8.395 -5.228 -0.683 182 HB ILE 25 HB ILE 25 -6.844 -5.873 -3.235 183 HG12 ILE 25 HG12 ILE 25 -5.907 -5.863 -0.332 184 HG13 ILE 25 HG13 ILE 25 -5.977 -7.257 -1.399 185 HG21 ILE 25 HG21 ILE 25 -5.582 -3.798 -2.742 186 HG22 ILE 25 HG22 ILE 25 -6.607 -3.500 -1.337 187 HG23 ILE 25 HG23 ILE 25 -7.302 -3.463 -2.958 188 HD11 ILE 25 HD11 ILE 25 -4.120 -4.891 -1.663 189 HD12 ILE 25 HD12 ILE 25 -4.196 -6.262 -2.773 190 HD13 ILE 25 HD13 ILE 25 -3.706 -6.509 -1.098 191 HA PRO 26 HA PRO 26 -10.549 -3.886 -4.833 192 HB2 PRO 26 HB2 PRO 26 -11.567 -5.700 -6.594 193 HB3 PRO 26 HB3 PRO 26 -9.869 -5.205 -6.634 194 HG2 PRO 26 HG2 PRO 26 -11.090 -7.660 -5.363 195 HG3 PRO 26 HG3 PRO 26 -9.669 -7.548 -6.427 196 HD2 PRO 26 HD2 PRO 26 -9.422 -7.693 -3.717 197 HD3 PRO 26 HD3 PRO 26 -8.281 -6.762 -4.713 198 H GLU 27 H GLU 27 -11.896 -6.626 -3.089 199 HA GLU 27 HA GLU 27 -14.702 -6.073 -3.502 200 HB2 GLU 27 HB2 GLU 27 -13.799 -8.312 -2.820 201 HB3 GLU 27 HB3 GLU 27 -13.263 -7.624 -1.293 202 HG2 GLU 27 HG2 GLU 27 -15.287 -8.903 -0.948 203 HG3 GLU 27 HG3 GLU 27 -15.613 -7.194 -0.664 204 H LEU 28 H LEU 28 -12.369 -5.559 -0.983 205 HA LEU 28 HA LEU 28 -13.760 -3.937 0.840 206 HB2 LEU 28 HB2 LEU 28 -11.758 -5.253 1.333 207 HB3 LEU 28 HB3 LEU 28 -10.827 -4.332 0.167 208 HG LEU 28 HG LEU 28 -10.970 -2.343 1.619 209 HD11 LEU 28 HD11 LEU 28 -12.396 -4.146 3.602 210 HD12 LEU 28 HD12 LEU 28 -13.087 -2.751 2.766 211 HD13 LEU 28 HD13 LEU 28 -11.790 -2.520 3.935 212 HD21 LEU 28 HD21 LEU 28 -9.052 -3.854 1.741 213 HD22 LEU 28 HD22 LEU 28 -9.868 -4.827 2.971 214 HD23 LEU 28 HD23 LEU 28 -9.396 -3.163 3.330 215 H ALA 29 H ALA 29 -11.724 -3.182 -1.974 216 HA ALA 29 HA ALA 29 -11.475 -0.384 -1.678 217 HB1 ALA 29 HB1 ALA 29 -11.393 -2.000 -4.252 218 HB2 ALA 29 HB2 ALA 29 -10.029 -1.713 -3.170 219 HB3 ALA 29 HB3 ALA 29 -10.765 -0.361 -4.028 220 H ARG 30 H ARG 30 -13.922 -2.331 -3.358 221 HA ARG 30 HA ARG 30 -15.357 -0.159 -4.547 222 HB2 ARG 30 HB2 ARG 30 -15.508 -2.426 -5.465 223 HB3 ARG 30 HB3 ARG 30 -16.193 -3.028 -3.959 224 HG2 ARG 30 HG2 ARG 30 -18.230 -1.718 -4.314 225 HG3 ARG 30 HG3 ARG 30 -17.544 -0.994 -5.770 226 HD2 ARG 30 HD2 ARG 30 -19.150 -2.813 -6.282 227 HD3 ARG 30 HD3 ARG 30 -17.529 -3.160 -6.890 228 HE ARG 30 HE ARG 30 -18.525 -4.307 -4.347 229 HH11 ARG 30 HH11 ARG 30 -17.076 -4.788 -7.461 230 HH12 ARG 30 HH12 ARG 30 -16.810 -6.469 -7.173 231 HH21 ARG 30 HH21 ARG 30 -18.186 -6.440 -4.034 232 HH22 ARG 30 HH22 ARG 30 -17.431 -7.382 -5.266 233 H LYS 31 H LYS 31 -15.726 -2.008 -1.535 234 HA LYS 31 HA LYS 31 -18.084 -0.885 -0.509 235 HB2 LYS 31 HB2 LYS 31 -17.112 -2.864 0.496 236 HB3 LYS 31 HB3 LYS 31 -15.621 -2.011 0.885 237 HG2 LYS 31 HG2 LYS 31 -16.790 -0.646 2.540 238 HG3 LYS 31 HG3 LYS 31 -18.330 -1.396 2.113 239 HD2 LYS 31 HD2 LYS 31 -15.937 -2.857 3.317 240 HD3 LYS 31 HD3 LYS 31 -17.350 -2.302 4.222 241 HE2 LYS 31 HE2 LYS 31 -17.336 -4.383 2.005 242 HE3 LYS 31 HE3 LYS 31 -17.553 -4.688 3.727 243 HZ1 LYS 31 HZ1 LYS 31 -19.400 -3.092 2.029 244 HZ2 LYS 31 HZ2 LYS 31 -19.613 -3.450 3.668 245 HZ3 LYS 31 HZ3 LYS 31 -19.651 -4.689 2.518 246 H VAL 32 H VAL 32 -14.692 0.110 0.073 247 HA VAL 32 HA VAL 32 -15.493 2.547 1.466 248 HB VAL 32 HB VAL 32 -13.104 2.892 1.904 249 HG11 VAL 32 HG11 VAL 32 -14.329 1.378 3.406 250 HG12 VAL 32 HG12 VAL 32 -12.652 0.860 3.247 251 HG13 VAL 32 HG13 VAL 32 -13.925 -0.005 2.381 252 HG21 VAL 32 HG21 VAL 32 -12.583 0.463 0.133 253 HG22 VAL 32 HG22 VAL 32 -11.367 1.294 1.107 254 HG23 VAL 32 HG23 VAL 32 -12.146 2.131 -0.237 255 H ASN 33 H ASN 33 -15.296 1.761 -1.725 256 HA ASN 33 HA ASN 33 -15.366 2.867 -3.682 257 HB2 ASN 33 HB2 ASN 33 -15.865 5.256 -1.865 258 HB3 ASN 33 HB3 ASN 33 -15.989 5.338 -3.621 259 HD21 ASN 33 HD21 ASN 33 -17.348 3.865 -0.742 260 HD22 ASN 33 HD22 ASN 33 -18.858 3.432 -1.445 261 H LEU 34 H LEU 34 -12.694 2.803 -2.080 262 HA LEU 34 HA LEU 34 -11.136 4.862 -3.495 263 HB2 LEU 34 HB2 LEU 34 -10.144 2.641 -1.654 264 HB3 LEU 34 HB3 LEU 34 -9.224 4.033 -2.208 265 HG LEU 34 HG LEU 34 -11.577 4.084 -0.269 266 HD11 LEU 34 HD11 LEU 34 -9.922 4.770 1.413 267 HD12 LEU 34 HD12 LEU 34 -8.626 4.609 0.225 268 HD13 LEU 34 HD13 LEU 34 -9.538 3.187 0.737 269 HD21 LEU 34 HD21 LEU 34 -11.615 6.113 -1.630 270 HD22 LEU 34 HD22 LEU 34 -9.913 6.419 -1.277 271 HD23 LEU 34 HD23 LEU 34 -11.113 6.491 0.018 272 H SER 35 H SER 35 -9.343 4.249 -4.940 273 HA SER 35 HA SER 35 -9.684 2.000 -6.642 274 HB2 SER 35 HB2 SER 35 -7.143 3.635 -6.182 275 HB3 SER 35 HB3 SER 35 -7.488 2.623 -7.586 276 HG SER 35 HG SER 35 -8.880 4.090 -8.329 277 H VAL 36 H VAL 36 -8.397 0.048 -6.819 278 HA VAL 36 HA VAL 36 -7.921 -1.458 -4.530 279 HB VAL 36 HB VAL 36 -6.644 -1.796 -7.281 280 HG11 VAL 36 HG11 VAL 36 -6.358 -4.193 -6.728 281 HG12 VAL 36 HG12 VAL 36 -6.951 -3.893 -5.094 282 HG13 VAL 36 HG13 VAL 36 -5.431 -3.170 -5.626 283 HG21 VAL 36 HG21 VAL 36 -8.507 -3.359 -7.742 284 HG22 VAL 36 HG22 VAL 36 -9.099 -1.735 -7.385 285 HG23 VAL 36 HG23 VAL 36 -9.200 -2.999 -6.156 286 H GLU 37 H GLU 37 -5.470 0.206 -6.509 287 HA GLU 37 HA GLU 37 -3.163 -0.277 -4.981 288 HB2 GLU 37 HB2 GLU 37 -3.842 2.188 -6.634 289 HB3 GLU 37 HB3 GLU 37 -2.217 1.714 -6.132 290 HG2 GLU 37 HG2 GLU 37 -2.333 -0.292 -7.489 291 HG3 GLU 37 HG3 GLU 37 -4.016 0.034 -7.898 292 H SER 38 H SER 38 -5.491 2.428 -4.721 293 HA SER 38 HA SER 38 -4.231 3.922 -2.668 294 HB2 SER 38 HB2 SER 38 -7.175 3.756 -3.434 295 HB3 SER 38 HB3 SER 38 -6.506 4.963 -2.330 296 HG SER 38 HG SER 38 -5.639 4.594 -5.013 297 H THR 39 H THR 39 -6.502 1.225 -2.544 298 HA THR 39 HA THR 39 -7.070 1.298 0.258 299 HB THR 39 HB THR 39 -7.381 -0.959 -1.773 300 HG1 THR 39 HG1 THR 39 -9.710 -0.017 -1.114 301 HG21 THR 39 HG21 THR 39 -8.618 -0.722 1.002 302 HG22 THR 39 HG22 THR 39 -7.395 -1.901 0.517 303 HG23 THR 39 HG23 THR 39 -9.007 -1.956 -0.198 304 H ALA 40 H ALA 40 -4.945 -0.849 -1.715 305 HA ALA 40 HA ALA 40 -3.789 -2.358 0.369 306 HB1 ALA 40 HB1 ALA 40 -2.065 -2.971 -1.291 307 HB2 ALA 40 HB2 ALA 40 -2.595 -1.646 -2.334 308 HB3 ALA 40 HB3 ALA 40 -3.680 -2.997 -2.007 309 H LEU 41 H LEU 41 -2.871 0.762 -0.975 310 HA LEU 41 HA LEU 41 -0.365 1.147 0.326 311 HB2 LEU 41 HB2 LEU 41 -1.642 2.412 -1.671 312 HB3 LEU 41 HB3 LEU 41 -2.162 3.463 -0.375 313 HG LEU 41 HG LEU 41 0.669 3.007 -1.389 314 HD11 LEU 41 HD11 LEU 41 -0.701 4.500 -2.724 315 HD12 LEU 41 HD12 LEU 41 0.562 5.414 -1.902 316 HD13 LEU 41 HD13 LEU 41 -1.102 5.462 -1.299 317 HD21 LEU 41 HD21 LEU 41 -0.106 4.672 1.039 318 HD22 LEU 41 HD22 LEU 41 1.493 4.602 0.289 319 HD23 LEU 41 HD23 LEU 41 0.821 3.170 1.062 320 H ALA 42 H ALA 42 -3.651 2.330 1.066 321 HA ALA 42 HA ALA 42 -3.132 3.674 3.494 322 HB1 ALA 42 HB1 ALA 42 -5.186 4.003 2.179 323 HB2 ALA 42 HB2 ALA 42 -5.572 3.577 3.846 324 HB3 ALA 42 HB3 ALA 42 -5.714 2.365 2.567 325 H VAL 43 H VAL 43 -3.766 0.302 2.791 326 HA VAL 43 HA VAL 43 -4.067 -0.606 5.509 327 HB VAL 43 HB VAL 43 -3.519 -2.071 2.898 328 HG11 VAL 43 HG11 VAL 43 -3.915 -4.214 4.078 329 HG12 VAL 43 HG12 VAL 43 -3.945 -3.358 5.621 330 HG13 VAL 43 HG13 VAL 43 -2.460 -3.409 4.669 331 HG21 VAL 43 HG21 VAL 43 -5.844 -2.894 3.177 332 HG22 VAL 43 HG22 VAL 43 -5.792 -1.130 3.145 333 HG23 VAL 43 HG23 VAL 43 -5.991 -1.978 4.680 334 H GLY 44 H GLY 44 -1.300 -0.414 3.253 335 HA2 GLY 44 HA2 GLY 44 0.707 -1.528 4.928 336 HA3 GLY 44 HA3 GLY 44 0.979 -0.393 3.611 337 H TRP 45 H TRP 45 -0.732 1.666 4.787 338 HA TRP 45 HA TRP 45 1.036 3.048 6.549 339 HB2 TRP 45 HB2 TRP 45 -0.457 4.217 4.979 340 HB3 TRP 45 HB3 TRP 45 -1.872 3.565 5.795 341 HD1 TRP 45 HD1 TRP 45 -2.877 5.063 7.685 342 HE1 TRP 45 HE1 TRP 45 -2.153 7.232 8.860 343 HE3 TRP 45 HE3 TRP 45 1.879 5.426 5.863 344 HZ2 TRP 45 HZ2 TRP 45 0.115 8.890 8.991 345 HZ3 TRP 45 HZ3 TRP 45 3.266 7.345 6.561 346 HH2 TRP 45 HH2 TRP 45 2.405 9.039 8.100 347 H LEU 46 H LEU 46 -2.032 1.283 7.063 348 HA LEU 46 HA LEU 46 -2.267 1.688 9.881 349 HB2 LEU 46 HB2 LEU 46 -3.355 -0.508 8.076 350 HB3 LEU 46 HB3 LEU 46 -3.838 -0.295 9.755 351 HG LEU 46 HG LEU 46 -4.254 1.829 7.610 352 HD11 LEU 46 HD11 LEU 46 -6.278 -0.194 8.625 353 HD12 LEU 46 HD12 LEU 46 -5.552 -0.152 7.013 354 HD13 LEU 46 HD13 LEU 46 -6.607 1.159 7.535 355 HD21 LEU 46 HD21 LEU 46 -5.788 2.854 9.234 356 HD22 LEU 46 HD22 LEU 46 -4.165 2.713 9.906 357 HD23 LEU 46 HD23 LEU 46 -5.426 1.583 10.406 358 H ALA 47 H ALA 47 -0.643 -0.776 7.936 359 HA ALA 47 HA ALA 47 0.107 -2.663 9.838 360 HB1 ALA 47 HB1 ALA 47 1.677 -1.810 7.382 361 HB2 ALA 47 HB2 ALA 47 0.358 -2.981 7.408 362 HB3 ALA 47 HB3 ALA 47 1.864 -3.335 8.257 363 H ARG 48 H ARG 48 1.508 0.541 9.288 364 HA ARG 48 HA ARG 48 4.038 0.235 10.494 365 HB2 ARG 48 HB2 ARG 48 4.234 2.556 10.473 366 HB3 ARG 48 HB3 ARG 48 3.009 2.299 9.243 367 HG2 ARG 48 HG2 ARG 48 1.254 2.904 10.919 368 HG3 ARG 48 HG3 ARG 48 2.524 3.221 12.100 369 HD2 ARG 48 HD2 ARG 48 3.432 4.991 10.584 370 HD3 ARG 48 HD3 ARG 48 2.077 4.711 9.485 371 HE ARG 48 HE ARG 48 2.040 6.160 11.974 372 HH11 ARG 48 HH11 ARG 48 -0.006 4.324 9.878 373 HH12 ARG 48 HH12 ARG 48 -1.416 5.211 10.330 374 HH21 ARG 48 HH21 ARG 48 0.207 7.249 12.546 375 HH22 ARG 48 HH22 ARG 48 -1.298 6.826 11.815 376 H GLU 49 H GLU 49 0.902 0.590 11.973 377 HA GLU 49 HA GLU 49 2.035 0.503 14.701 378 HB2 GLU 49 HB2 GLU 49 -0.084 1.819 15.362 379 HB3 GLU 49 HB3 GLU 49 1.179 2.695 14.508 380 HG2 GLU 49 HG2 GLU 49 -0.114 2.393 12.386 381 HG3 GLU 49 HG3 GLU 49 -1.409 1.658 13.318 382 H ASN 50 H ASN 50 1.111 -1.603 12.788 383 HA ASN 50 HA ASN 50 0.384 -3.721 12.961 384 HB2 ASN 50 HB2 ASN 50 0.238 -3.142 15.945 385 HB3 ASN 50 HB3 ASN 50 0.226 -4.750 15.222 386 HD21 ASN 50 HD21 ASN 50 2.125 -3.790 17.120 387 HD22 ASN 50 HD22 ASN 50 3.672 -3.823 16.360 388 H LYS 51 H LYS 51 -1.700 -1.548 12.673 389 HA LYS 51 HA LYS 51 -4.069 -2.426 14.019 390 HB2 LYS 51 HB2 LYS 51 -3.600 -0.501 11.725 391 HB3 LYS 51 HB3 LYS 51 -5.197 -0.818 12.400 392 HG2 LYS 51 HG2 LYS 51 -4.332 -0.062 14.637 393 HG3 LYS 51 HG3 LYS 51 -2.824 0.415 13.844 394 HD2 LYS 51 HD2 LYS 51 -3.977 2.055 12.496 395 HD3 LYS 51 HD3 LYS 51 -5.561 1.475 13.030 396 HE2 LYS 51 HE2 LYS 51 -3.480 2.877 14.743 397 HE3 LYS 51 HE3 LYS 51 -4.996 3.562 14.161 398 HZ1 LYS 51 HZ1 LYS 51 -4.693 1.326 16.083 399 HZ2 LYS 51 HZ2 LYS 51 -6.170 1.879 15.477 400 HZ3 LYS 51 HZ3 LYS 51 -5.217 2.896 16.431 401 H VAL 52 H VAL 52 -2.493 -3.478 11.123 402 HA VAL 52 HA VAL 52 -4.810 -5.200 10.446 403 HB VAL 52 HB VAL 52 -4.112 -5.170 8.056 404 HG11 VAL 52 HG11 VAL 52 -4.929 -2.903 7.491 405 HG12 VAL 52 HG12 VAL 52 -4.695 -2.397 9.166 406 HG13 VAL 52 HG13 VAL 52 -5.889 -3.638 8.778 407 HG21 VAL 52 HG21 VAL 52 -1.718 -4.630 8.322 408 HG22 VAL 52 HG22 VAL 52 -2.126 -3.009 8.888 409 HG23 VAL 52 HG23 VAL 52 -2.489 -3.481 7.227 410 H VAL 53 H VAL 53 -4.389 -7.315 9.833 411 HA VAL 53 HA VAL 53 -1.639 -8.383 10.158 412 HB VAL 53 HB VAL 53 -4.265 -9.948 10.155 413 HG11 VAL 53 HG11 VAL 53 -2.930 -11.812 11.100 414 HG12 VAL 53 HG12 VAL 53 -1.465 -10.843 10.945 415 HG13 VAL 53 HG13 VAL 53 -2.348 -11.343 9.500 416 HG21 VAL 53 HG21 VAL 53 -4.234 -8.455 12.102 417 HG22 VAL 53 HG22 VAL 53 -2.635 -9.048 12.560 418 HG23 VAL 53 HG23 VAL 53 -4.025 -10.134 12.615 419 H ILE 54 H ILE 54 -0.593 -9.066 8.319 420 HA ILE 54 HA ILE 54 -2.054 -9.001 5.744 421 HB ILE 54 HB ILE 54 0.913 -8.612 6.349 422 HG12 ILE 54 HG12 ILE 54 -0.427 -6.668 7.050 423 HG13 ILE 54 HG13 ILE 54 0.535 -6.249 5.639 424 HG21 ILE 54 HG21 ILE 54 0.680 -9.683 4.157 425 HG22 ILE 54 HG22 ILE 54 1.192 -8.009 3.958 426 HG23 ILE 54 HG23 ILE 54 -0.487 -8.457 3.650 427 HD11 ILE 54 HD11 ILE 54 -1.464 -6.509 4.224 428 HD12 ILE 54 HD12 ILE 54 -1.669 -5.294 5.484 429 HD13 ILE 54 HD13 ILE 54 -2.418 -6.879 5.665 430 H GLU 55 H GLU 55 -2.479 -10.957 4.845 431 HA GLU 55 HA GLU 55 -0.513 -13.168 5.100 432 HB2 GLU 55 HB2 GLU 55 -3.549 -13.325 5.170 433 HB3 GLU 55 HB3 GLU 55 -2.504 -14.731 4.968 434 HG2 GLU 55 HG2 GLU 55 -1.442 -14.228 7.165 435 HG3 GLU 55 HG3 GLU 55 -2.544 -12.867 7.366 436 H ARG 56 H ARG 56 0.478 -13.387 3.188 437 HA ARG 56 HA ARG 56 -0.822 -12.824 0.656 438 HB2 ARG 56 HB2 ARG 56 1.973 -13.782 1.377 439 HB3 ARG 56 HB3 ARG 56 1.424 -13.716 -0.296 440 HG2 ARG 56 HG2 ARG 56 0.997 -11.276 -0.040 441 HG3 ARG 56 HG3 ARG 56 1.623 -11.353 1.609 442 HD2 ARG 56 HD2 ARG 56 3.835 -11.972 0.794 443 HD3 ARG 56 HD3 ARG 56 3.232 -12.108 -0.860 444 HE ARG 56 HE ARG 56 2.801 -9.671 -0.776 445 HH11 ARG 56 HH11 ARG 56 5.174 -10.949 1.415 446 HH12 ARG 56 HH12 ARG 56 6.012 -9.442 1.524 447 HH21 ARG 56 HH21 ARG 56 3.887 -7.780 -0.580 448 HH22 ARG 56 HH22 ARG 56 5.294 -7.679 0.413 449 H LYS 57 H LYS 57 -2.394 -14.219 0.266 450 HA LYS 57 HA LYS 57 -1.945 -17.148 0.331 451 HB2 LYS 57 HB2 LYS 57 -4.521 -15.502 0.236 452 HB3 LYS 57 HB3 LYS 57 -4.441 -17.263 0.309 453 HG2 LYS 57 HG2 LYS 57 -3.614 -17.252 2.543 454 HG3 LYS 57 HG3 LYS 57 -3.211 -15.531 2.477 455 HD2 LYS 57 HD2 LYS 57 -5.568 -14.936 2.433 456 HD3 LYS 57 HD3 LYS 57 -6.041 -16.636 2.359 457 HE2 LYS 57 HE2 LYS 57 -4.621 -15.294 4.685 458 HE3 LYS 57 HE3 LYS 57 -6.339 -15.669 4.614 459 HZ1 LYS 57 HZ1 LYS 57 -5.841 -17.992 4.561 460 HZ2 LYS 57 HZ2 LYS 57 -5.023 -17.294 5.872 461 HZ3 LYS 57 HZ3 LYS 57 -4.177 -17.696 4.465 462 H ASN 58 H ASN 58 -1.298 -17.879 -1.634 463 HA ASN 58 HA ASN 58 -1.139 -18.362 -3.841 464 HB2 ASN 58 HB2 ASN 58 -4.003 -17.314 -3.995 465 HB3 ASN 58 HB3 ASN 58 -3.214 -18.341 -5.189 466 HD21 ASN 58 HD21 ASN 58 -4.612 -18.219 -2.007 467 HD22 ASN 58 HD22 ASN 58 -4.716 -19.918 -1.763 468 H GLY 59 H GLY 59 -0.174 -15.753 -3.037 469 HA2 GLY 59 HA2 GLY 59 0.986 -14.113 -4.235 470 HA3 GLY 59 HA3 GLY 59 0.021 -14.461 -5.657 471 H LEU 60 H LEU 60 -2.345 -14.152 -3.511 472 HA LEU 60 HA LEU 60 -2.749 -11.265 -3.946 473 HB2 LEU 60 HB2 LEU 60 -4.709 -13.412 -3.028 474 HB3 LEU 60 HB3 LEU 60 -5.115 -11.725 -3.329 475 HG LEU 60 HG LEU 60 -4.315 -13.827 -5.388 476 HD11 LEU 60 HD11 LEU 60 -6.891 -12.251 -5.053 477 HD12 LEU 60 HD12 LEU 60 -6.647 -13.952 -4.645 478 HD13 LEU 60 HD13 LEU 60 -6.546 -13.431 -6.324 479 HD21 LEU 60 HD21 LEU 60 -4.758 -10.858 -5.856 480 HD22 LEU 60 HD22 LEU 60 -4.598 -12.084 -7.119 481 HD23 LEU 60 HD23 LEU 60 -3.243 -11.747 -6.048 482 H ILE 61 H ILE 61 -2.892 -9.820 -2.252 483 HA ILE 61 HA ILE 61 -2.100 -10.746 0.411 484 HB ILE 61 HB ILE 61 -2.400 -7.948 -0.753 485 HG12 ILE 61 HG12 ILE 61 0.031 -9.631 0.009 486 HG13 ILE 61 HG13 ILE 61 -0.467 -9.200 -1.621 487 HG21 ILE 61 HG21 ILE 61 -1.380 -7.072 1.334 488 HG22 ILE 61 HG22 ILE 61 -1.475 -8.680 2.052 489 HG23 ILE 61 HG23 ILE 61 -2.955 -7.811 1.640 490 HD11 ILE 61 HD11 ILE 61 0.586 -7.320 0.488 491 HD12 ILE 61 HD12 ILE 61 0.058 -6.849 -1.129 492 HD13 ILE 61 HD13 ILE 61 1.445 -7.917 -0.929 493 H GLU 62 H GLU 62 -3.384 -10.929 2.117 494 HA GLU 62 HA GLU 62 -6.228 -10.155 1.936 495 HB2 GLU 62 HB2 GLU 62 -4.968 -12.689 2.528 496 HB3 GLU 62 HB3 GLU 62 -5.787 -12.170 3.989 497 HG2 GLU 62 HG2 GLU 62 -7.165 -12.290 1.287 498 HG3 GLU 62 HG3 GLU 62 -7.088 -13.669 2.383 499 H ILE 63 H ILE 63 -7.208 -9.060 3.657 500 HA ILE 63 HA ILE 63 -5.285 -7.737 5.504 501 HB ILE 63 HB ILE 63 -7.778 -6.453 4.280 502 HG12 ILE 63 HG12 ILE 63 -6.052 -4.887 3.160 503 HG13 ILE 63 HG13 ILE 63 -4.832 -6.085 3.574 504 HG21 ILE 63 HG21 ILE 63 -7.320 -5.584 6.522 505 HG22 ILE 63 HG22 ILE 63 -6.965 -4.350 5.314 506 HG23 ILE 63 HG23 ILE 63 -5.646 -5.241 6.078 507 HD11 ILE 63 HD11 ILE 63 -5.543 -6.289 1.290 508 HD12 ILE 63 HD12 ILE 63 -7.218 -6.500 1.794 509 HD13 ILE 63 HD13 ILE 63 -6.010 -7.721 2.203 510 H TYR 64 H TYR 64 -5.623 -8.330 7.492 511 HA TYR 64 HA TYR 64 -8.367 -8.695 8.572 512 HB2 TYR 64 HB2 TYR 64 -5.748 -9.875 9.609 513 HB3 TYR 64 HB3 TYR 64 -7.338 -10.136 10.317 514 HD1 TYR 64 HD1 TYR 64 -5.140 -10.957 7.441 515 HD2 TYR 64 HD2 TYR 64 -8.945 -11.661 9.264 516 HE1 TYR 64 HE1 TYR 64 -5.521 -12.848 5.919 517 HE2 TYR 64 HE2 TYR 64 -9.316 -13.557 7.748 518 HH TYR 64 HH TYR 64 -8.426 -14.150 5.314 519 H ASN 65 H ASN 65 -8.376 -8.227 11.058 520 HA ASN 65 HA ASN 65 -7.355 -5.476 11.452 521 HB2 ASN 65 HB2 ASN 65 -9.853 -6.211 11.660 522 HB3 ASN 65 HB3 ASN 65 -9.390 -6.929 13.194 523 HD21 ASN 65 HD21 ASN 65 -11.301 -4.868 12.747 524 HD22 ASN 65 HD22 ASN 65 -10.777 -3.465 13.604 525 H GLU 66 H GLU 66 -6.474 -4.849 13.539 526 HA GLU 66 HA GLU 66 -4.575 -6.394 14.855 527 HB2 GLU 66 HB2 GLU 66 -4.775 -3.922 14.987 528 HB3 GLU 66 HB3 GLU 66 -6.243 -4.084 15.944 529 HG2 GLU 66 HG2 GLU 66 -4.905 -5.157 17.754 530 HG3 GLU 66 HG3 GLU 66 -3.445 -4.910 16.786 531 H GLY 67 H GLY 67 -8.041 -6.084 15.541 532 HA2 GLY 67 HA2 GLY 67 -8.113 -7.527 18.017 533 HA3 GLY 67 HA3 GLY 67 -9.482 -7.133 16.994 534 H HIS 68 H HIS 68 -7.408 -8.762 14.977 535 HA HIS 68 HA HIS 68 -8.866 -11.242 15.028 536 HB2 HIS 68 HB2 HIS 68 -7.858 -10.149 12.956 537 HB3 HIS 68 HB3 HIS 68 -6.270 -10.647 13.525 538 HD1 HIS 68 HD1 HIS 68 -9.343 -11.898 11.851 539 HD2 HIS 68 HD2 HIS 68 -5.793 -13.484 13.331 540 HE1 HIS 68 HE1 HIS 68 -9.195 -14.218 10.909 541 HE2 HIS 68 HE2 HIS 68 -7.142 -15.212 11.954 542 H PHE 69 H PHE 69 -5.911 -10.097 16.518 543 HA PHE 69 HA PHE 69 -4.730 -12.622 17.177 544 HB2 PHE 69 HB2 PHE 69 -4.371 -9.885 18.464 545 HB3 PHE 69 HB3 PHE 69 -3.391 -11.293 18.853 546 HD1 PHE 69 HD2 PHE 69 -2.270 -12.468 16.715 547 HD2 PHE 69 HD1 PHE 69 -3.475 -8.366 16.899 548 HE1 PHE 69 HE2 PHE 69 -0.703 -11.919 14.900 549 HE2 PHE 69 HE1 PHE 69 -1.904 -7.826 15.084 550 HZ PHE 69 HZ PHE 69 -0.518 -9.601 14.083 551 H ASP 70 H ASP 70 -4.370 -13.336 19.463 552 HA ASP 70 HA ASP 70 -6.768 -14.111 20.704 553 HB2 ASP 70 HB2 ASP 70 -5.290 -15.069 22.479 554 HB3 ASP 70 HB3 ASP 70 -4.765 -15.484 20.853 555 H PHE 71 H PHE 71 -7.646 -13.639 22.777 556 HA PHE 71 HA PHE 71 -7.911 -10.854 23.305 557 HB2 PHE 71 HB2 PHE 71 -8.930 -13.256 24.872 558 HB3 PHE 71 HB3 PHE 71 -9.442 -11.594 25.152 559 HD1 PHE 71 HD1 PHE 71 -10.085 -10.402 22.703 560 HD2 PHE 71 HD2 PHE 71 -10.562 -14.520 23.750 561 HE1 PHE 71 HE1 PHE 71 -11.861 -10.629 21.023 562 HE2 PHE 71 HE2 PHE 71 -12.341 -14.737 22.061 563 HZ PHE 71 HZ PHE 71 -12.990 -12.792 20.695 564 H SER 72 H SER 72 -5.646 -13.118 24.559 565 HA SER 72 HA SER 72 -5.177 -11.914 27.132 566 HB2 SER 72 HB2 SER 72 -4.548 -14.264 26.694 567 HB3 SER 72 HB3 SER 72 -3.397 -13.743 25.466 568 HG SER 72 HG SER 72 -2.834 -12.429 27.725 569 H PHE 73 H PHE 73 -3.437 -11.821 23.999 570 HA PHE 73 HA PHE 73 -1.797 -10.548 23.106 571 HB2 PHE 73 HB2 PHE 73 -2.915 -8.340 24.886 572 HB3 PHE 73 HB3 PHE 73 -1.793 -8.087 23.556 573 HD1 PHE 73 HD1 PHE 73 -2.571 -8.674 21.172 574 HD2 PHE 73 HD2 PHE 73 -5.273 -8.388 24.479 575 HE1 PHE 73 HE1 PHE 73 -4.459 -8.394 19.617 576 HE2 PHE 73 HE2 PHE 73 -7.156 -8.113 22.913 577 HZ PHE 73 HZ PHE 73 -6.748 -8.115 20.481 578 H GLY 74 H GLY 74 0.294 -11.059 23.557 579 HA2 GLY 74 HA2 GLY 74 1.354 -11.330 26.197 580 HA3 GLY 74 HA3 GLY 74 2.255 -11.457 24.697 581 H LEU 75 H LEU 75 0.949 -8.493 24.424 582 HA LEU 75 HA LEU 75 3.332 -7.048 24.865 583 HB2 LEU 75 HB2 LEU 75 0.471 -6.065 24.489 584 HB3 LEU 75 HB3 LEU 75 1.858 -4.994 24.569 585 HG LEU 75 HG LEU 75 2.787 -6.196 22.515 586 HD11 LEU 75 HD11 LEU 75 1.481 -8.262 22.597 587 HD12 LEU 75 HD12 LEU 75 1.254 -7.431 21.060 588 HD13 LEU 75 HD13 LEU 75 -0.006 -7.356 22.295 589 HD21 LEU 75 HD21 LEU 75 1.762 -3.974 22.369 590 HD22 LEU 75 HD22 LEU 75 0.168 -4.704 22.158 591 HD23 LEU 75 HD23 LEU 75 1.414 -4.926 20.926 592 H GLU 76 H GLU 76 4.213 -6.753 26.836 593 HA GLU 76 HA GLU 76 4.589 -6.282 29.011 594 HB2 GLU 76 HB2 GLU 76 3.514 -4.108 28.326 595 HB3 GLU 76 HB3 GLU 76 1.973 -4.714 28.904 596 HG2 GLU 76 HG2 GLU 76 2.963 -3.155 30.503 597 HG3 GLU 76 HG3 GLU 76 2.833 -4.764 31.207 598 H HIS 77 H HIS 77 2.826 -8.620 28.189 599 HA HIS 77 HA HIS 77 1.627 -9.288 30.832 600 HB2 HIS 77 HB2 HIS 77 0.557 -9.921 28.046 601 HB3 HIS 77 HB3 HIS 77 -0.040 -10.704 29.503 602 HD1 HIS 77 HD1 HIS 77 -1.988 -9.178 27.783 603 HD2 HIS 77 HD2 HIS 77 0.062 -7.427 30.944 604 HE1 HIS 77 HE1 HIS 77 -3.400 -7.231 28.493 605 HE2 HIS 77 HE2 HIS 77 -2.083 -6.125 30.331 606 H HIS 78 H HIS 78 4.340 -9.952 29.432 607 HA HIS 78 HA HIS 78 4.340 -12.702 30.484 608 HB2 HIS 78 HB2 HIS 78 5.681 -13.627 28.662 609 HB3 HIS 78 HB3 HIS 78 4.178 -12.988 28.023 610 HD1 HIS 78 HD1 HIS 78 4.353 -11.295 26.162 611 HD2 HIS 78 HD2 HIS 78 8.025 -12.032 27.959 612 HE1 HIS 78 HE1 HIS 78 6.050 -10.181 24.692 613 HE2 HIS 78 HE2 HIS 78 8.265 -10.657 25.779 614 H HIS 79 H HIS 79 6.263 -13.415 31.370 615 HA HIS 79 HA HIS 79 8.603 -11.610 31.520 616 HB2 HIS 79 HB2 HIS 79 7.302 -12.960 33.942 617 HB3 HIS 79 HB3 HIS 79 8.830 -12.089 33.973 618 HD1 HIS 79 HD1 HIS 79 8.733 -9.572 34.248 619 HD2 HIS 79 HD2 HIS 79 4.980 -11.282 33.739 620 HE1 HIS 79 HE1 HIS 79 7.089 -7.751 34.768 621 HE2 HIS 79 HE2 HIS 79 4.830 -8.819 34.519 622 H HIS 80 H HIS 80 10.576 -12.745 32.123 623 HA HIS 80 HA HIS 80 10.705 -15.585 31.509 624 HB2 HIS 80 HB2 HIS 80 12.861 -13.678 32.557 625 HB3 HIS 80 HB3 HIS 80 13.146 -15.330 32.011 626 HD1 HIS 80 HD1 HIS 80 12.896 -11.889 30.795 627 HD2 HIS 80 HD2 HIS 80 12.655 -15.699 29.160 628 HE1 HIS 80 HE1 HIS 80 13.107 -11.567 28.319 629 HE2 HIS 80 HE2 HIS 80 12.757 -13.860 27.347 630 H HIS 81 H HIS 81 10.557 -17.213 33.007 631 HA HIS 81 HA HIS 81 8.987 -16.678 35.249 632 HB2 HIS 81 HB2 HIS 81 10.474 -19.260 34.652 633 HB3 HIS 81 HB3 HIS 81 9.075 -19.093 35.710 634 HD1 HIS 81 HD1 HIS 81 9.988 -19.819 32.275 635 HD2 HIS 81 HD2 HIS 81 6.658 -18.282 34.225 636 HE1 HIS 81 HE1 HIS 81 8.103 -20.026 30.638 637 HE2 HIS 81 HE2 HIS 81 6.134 -18.962 31.787 638 H HIS 82 H HIS 82 10.073 -15.256 36.642 639 HA HIS 82 HA HIS 82 11.652 -16.577 38.752 640 HB2 HIS 82 HB2 HIS 82 12.468 -13.973 37.371 641 HB3 HIS 82 HB3 HIS 82 13.074 -14.435 38.958 642 HD1 HIS 82 HD1 HIS 82 14.561 -16.640 39.048 643 HD2 HIS 82 HD2 HIS 82 13.827 -15.140 35.236 644 HE1 HIS 82 HE1 HIS 82 16.241 -17.749 37.557 645 HE2 HIS 82 HE2 HIS 82 15.898 -16.701 35.298 646 H1 MET 1 H MET 1 7.119 -13.449 11.938 647 HA MET 1 HA MET 1 9.101 -12.042 10.925 648 HB2 MET 1 HB2 MET 1 9.544 -13.719 9.232 649 HB3 MET 1 HB3 MET 1 8.852 -14.528 10.630 650 HG2 MET 1 HG2 MET 1 7.417 -13.861 8.042 651 HG3 MET 1 HG3 MET 1 7.928 -15.462 8.582 652 HE1 MET 1 HE1 MET 1 4.913 -14.581 7.609 653 HE2 MET 1 HE2 MET 1 3.944 -15.492 8.767 654 HE3 MET 1 HE3 MET 1 5.352 -16.241 8.010 655 H ASP 2 H ASP 2 5.882 -11.824 9.734 656 HA ASP 2 HA ASP 2 6.120 -10.970 7.107 657 HB2 ASP 2 HB2 ASP 2 3.852 -9.869 7.504 658 HB3 ASP 2 HB3 ASP 2 3.968 -11.570 7.945 659 H LYS 3 H LYS 3 6.518 -9.040 10.016 660 HA LYS 3 HA LYS 3 6.444 -6.437 8.918 661 HB2 LYS 3 HB2 LYS 3 7.924 -7.463 11.379 662 HB3 LYS 3 HB3 LYS 3 7.618 -5.762 11.024 663 HG2 LYS 3 HG2 LYS 3 5.437 -7.845 11.424 664 HG3 LYS 3 HG3 LYS 3 6.026 -6.772 12.697 665 HD2 LYS 3 HD2 LYS 3 5.158 -4.822 11.588 666 HD3 LYS 3 HD3 LYS 3 4.879 -5.703 10.085 667 HE2 LYS 3 HE2 LYS 3 2.789 -5.199 11.390 668 HE3 LYS 3 HE3 LYS 3 3.027 -6.913 11.051 669 HZ1 LYS 3 HZ1 LYS 3 2.300 -6.513 13.322 670 HZ2 LYS 3 HZ2 LYS 3 3.673 -5.573 13.622 671 HZ3 LYS 3 HZ3 LYS 3 3.831 -7.223 13.285 672 H LYS 4 H LYS 4 9.141 -8.724 9.317 673 HA LYS 4 HA LYS 4 11.177 -6.998 8.222 674 HB2 LYS 4 HB2 LYS 4 11.154 -10.006 8.717 675 HB3 LYS 4 HB3 LYS 4 12.560 -9.131 8.115 676 HG2 LYS 4 HG2 LYS 4 11.211 -8.688 10.803 677 HG3 LYS 4 HG3 LYS 4 12.725 -9.560 10.530 678 HD2 LYS 4 HD2 LYS 4 13.702 -7.412 9.593 679 HD3 LYS 4 HD3 LYS 4 12.216 -6.583 10.068 680 HE2 LYS 4 HE2 LYS 4 13.954 -6.217 11.746 681 HE3 LYS 4 HE3 LYS 4 12.667 -7.202 12.443 682 HZ1 LYS 4 HZ1 LYS 4 14.011 -9.163 12.112 683 HZ2 LYS 4 HZ2 LYS 4 14.879 -8.022 13.005 684 HZ3 LYS 4 HZ3 LYS 4 15.231 -8.255 11.368 685 H ILE 5 H ILE 5 8.959 -9.407 6.871 686 HA ILE 5 HA ILE 5 10.156 -9.706 4.310 687 HB ILE 5 HB ILE 5 7.188 -9.953 4.993 688 HG12 ILE 5 HG12 ILE 5 9.350 -12.114 4.984 689 HG13 ILE 5 HG13 ILE 5 8.608 -11.422 6.424 690 HG21 ILE 5 HG21 ILE 5 8.740 -11.120 2.641 691 HG22 ILE 5 HG22 ILE 5 7.567 -9.803 2.554 692 HG23 ILE 5 HG23 ILE 5 7.039 -11.424 3.003 693 HD11 ILE 5 HD11 ILE 5 7.676 -13.595 5.941 694 HD12 ILE 5 HD12 ILE 5 7.216 -13.078 4.318 695 HD13 ILE 5 HD13 ILE 5 6.438 -12.357 5.731 696 H VAL 6 H VAL 6 7.376 -7.614 5.313 697 HA VAL 6 HA VAL 6 7.211 -6.160 2.869 698 HB VAL 6 HB VAL 6 5.814 -4.494 4.108 699 HG11 VAL 6 HG11 VAL 6 4.754 -6.464 3.119 700 HG12 VAL 6 HG12 VAL 6 3.942 -6.029 4.623 701 HG13 VAL 6 HG13 VAL 6 5.052 -7.402 4.589 702 HG21 VAL 6 HG21 VAL 6 6.938 -4.542 6.306 703 HG22 VAL 6 HG22 VAL 6 6.394 -6.200 6.571 704 HG23 VAL 6 HG23 VAL 6 5.215 -4.887 6.489 705 H GLY 7 H GLY 7 9.198 -5.738 5.739 706 HA2 GLY 7 HA2 GLY 7 10.277 -3.167 5.234 707 HA3 GLY 7 HA3 GLY 7 11.069 -4.456 6.125 708 H ALA 8 H ALA 8 11.279 -6.384 4.093 709 HA ALA 8 HA ALA 8 13.572 -5.536 2.584 710 HB1 ALA 8 HB1 ALA 8 11.939 -8.091 2.366 711 HB2 ALA 8 HB2 ALA 8 13.324 -7.844 3.429 712 HB3 ALA 8 HB3 ALA 8 13.549 -7.830 1.679 713 H ASN 9 H ASN 9 10.171 -6.147 1.812 714 HA ASN 9 HA ASN 9 10.258 -5.759 -0.994 715 HB2 ASN 9 HB2 ASN 9 7.927 -5.244 0.910 716 HB3 ASN 9 HB3 ASN 9 7.804 -5.420 -0.836 717 HD21 ASN 9 HD21 ASN 9 9.691 -7.698 -0.950 718 HD22 ASN 9 HD22 ASN 9 8.848 -9.039 -0.271 719 H ALA 10 H ALA 10 9.897 -3.529 1.737 720 HA ALA 10 HA ALA 10 9.141 -1.209 0.220 721 HB1 ALA 10 HB1 ALA 10 10.154 -1.445 3.078 722 HB2 ALA 10 HB2 ALA 10 8.466 -1.514 2.566 723 HB3 ALA 10 HB3 ALA 10 9.383 -0.021 2.365 724 H GLY 11 H GLY 11 12.151 -2.405 1.680 725 HA2 GLY 11 HA2 GLY 11 13.890 -0.262 1.185 726 HA3 GLY 11 HA3 GLY 11 14.368 -1.952 1.274 727 H LYS 12 H LYS 12 13.234 -3.117 -0.839 728 HA LYS 12 HA LYS 12 14.866 -2.510 -3.049 729 HB2 LYS 12 HB2 LYS 12 14.036 -4.759 -2.710 730 HB3 LYS 12 HB3 LYS 12 12.364 -4.225 -2.774 731 HG2 LYS 12 HG2 LYS 12 12.938 -5.423 -4.809 732 HG3 LYS 12 HG3 LYS 12 12.593 -3.738 -5.176 733 HD2 LYS 12 HD2 LYS 12 14.487 -4.429 -6.503 734 HD3 LYS 12 HD3 LYS 12 15.066 -3.300 -5.279 735 HE2 LYS 12 HE2 LYS 12 15.905 -5.187 -3.932 736 HE3 LYS 12 HE3 LYS 12 15.296 -6.329 -5.134 737 HZ1 LYS 12 HZ1 LYS 12 16.810 -5.433 -6.746 738 HZ2 LYS 12 HZ2 LYS 12 17.675 -5.865 -5.359 739 HZ3 LYS 12 HZ3 LYS 12 17.332 -4.241 -5.669 740 H VAL 13 H VAL 13 11.364 -1.827 -2.571 741 HA VAL 13 HA VAL 13 10.805 -0.517 -4.993 742 HB VAL 13 HB VAL 13 9.585 -0.119 -2.224 743 HG11 VAL 13 HG11 VAL 13 9.146 1.944 -3.493 744 HG12 VAL 13 HG12 VAL 13 7.657 1.016 -3.322 745 HG13 VAL 13 HG13 VAL 13 8.530 1.004 -4.856 746 HG21 VAL 13 HG21 VAL 13 7.724 -1.490 -3.110 747 HG22 VAL 13 HG22 VAL 13 9.254 -2.361 -3.217 748 HG23 VAL 13 HG23 VAL 13 8.557 -1.630 -4.663 749 H TRP 14 H TRP 14 11.993 0.858 -1.928 750 HA TRP 14 HA TRP 14 12.090 3.571 -2.782 751 HB2 TRP 14 HB2 TRP 14 12.015 2.799 -0.378 752 HB3 TRP 14 HB3 TRP 14 13.702 2.334 -0.520 753 HD1 TRP 14 HD1 TRP 14 11.461 5.452 -0.278 754 HE1 TRP 14 HE1 TRP 14 12.947 7.478 0.286 755 HE3 TRP 14 HE3 TRP 14 15.996 3.275 -0.860 756 HZ2 TRP 14 HZ2 TRP 14 15.712 8.067 0.458 757 HZ3 TRP 14 HZ3 TRP 14 18.050 4.610 -0.489 758 HH2 TRP 14 HH2 TRP 14 17.902 6.972 0.154 759 H HIS 15 H HIS 15 14.510 0.972 -2.825 760 HA HIS 15 HA HIS 15 16.762 2.539 -3.578 761 HB2 HIS 15 HB2 HIS 15 16.159 -0.418 -3.999 762 HB3 HIS 15 HB3 HIS 15 17.702 0.316 -4.422 763 HD1 HIS 15 HD1 HIS 15 16.702 -1.813 -1.987 764 HD2 HIS 15 HD2 HIS 15 18.362 1.980 -1.725 765 HE1 HIS 15 HE1 HIS 15 17.783 -1.713 0.272 766 HE2 HIS 15 HE2 HIS 15 18.985 0.490 0.293 767 H ALA 16 H ALA 16 14.157 1.032 -5.459 768 HA ALA 16 HA ALA 16 15.141 1.764 -8.054 769 HB1 ALA 16 HB1 ALA 16 12.871 1.255 -8.844 770 HB2 ALA 16 HB2 ALA 16 12.292 1.190 -7.177 771 HB3 ALA 16 HB3 ALA 16 13.457 -0.002 -7.754 772 H LEU 17 H LEU 17 13.184 3.447 -5.607 773 HA LEU 17 HA LEU 17 12.424 5.712 -7.220 774 HB2 LEU 17 HB2 LEU 17 12.632 5.461 -4.193 775 HB3 LEU 17 HB3 LEU 17 11.841 6.780 -5.044 776 HG LEU 17 HG LEU 17 10.920 3.880 -5.151 777 HD11 LEU 17 HD11 LEU 17 9.804 6.156 -3.481 778 HD12 LEU 17 HD12 LEU 17 10.708 4.758 -2.877 779 HD13 LEU 17 HD13 LEU 17 9.123 4.529 -3.622 780 HD21 LEU 17 HD21 LEU 17 10.265 5.158 -7.140 781 HD22 LEU 17 HD22 LEU 17 9.552 6.414 -6.125 782 HD23 LEU 17 HD23 LEU 17 8.857 4.790 -6.144 783 H ASN 18 H ASN 18 15.233 4.868 -5.299 784 HA ASN 18 HA ASN 18 16.326 7.471 -4.891 785 HB2 ASN 18 HB2 ASN 18 16.908 5.511 -3.480 786 HB3 ASN 18 HB3 ASN 18 17.709 4.755 -4.850 787 HD21 ASN 18 HD21 ASN 18 17.932 8.200 -3.960 788 HD22 ASN 18 HD22 ASN 18 19.611 8.143 -3.573 789 H GLU 19 H GLU 19 16.543 5.144 -7.509 790 HA GLU 19 HA GLU 19 18.467 6.809 -9.006 791 HB2 GLU 19 HB2 GLU 19 18.581 4.866 -10.573 792 HB3 GLU 19 HB3 GLU 19 19.021 4.443 -8.922 793 HG2 GLU 19 HG2 GLU 19 16.719 3.512 -8.593 794 HG3 GLU 19 HG3 GLU 19 16.381 3.828 -10.296 795 H ALA 20 H ALA 20 15.073 5.872 -8.943 796 HA ALA 20 HA ALA 20 14.345 7.770 -11.026 797 HB1 ALA 20 HB1 ALA 20 13.837 4.808 -11.512 798 HB2 ALA 20 HB2 ALA 20 14.992 5.813 -12.391 799 HB3 ALA 20 HB3 ALA 20 13.262 6.138 -12.525 800 H ASP 21 H ASP 21 13.117 8.706 -9.315 801 HA ASP 21 HA ASP 21 10.834 7.226 -8.217 802 HB2 ASP 21 HB2 ASP 21 10.516 9.129 -6.746 803 HB3 ASP 21 HB3 ASP 21 12.209 8.664 -6.723 804 H GLY 22 H GLY 22 8.726 8.639 -8.057 805 HA2 GLY 22 HA2 GLY 22 6.904 9.568 -9.116 806 HA3 GLY 22 HA3 GLY 22 8.008 10.330 -10.254 807 H ILE 23 H ILE 23 6.673 7.137 -9.438 808 HA ILE 23 HA ILE 23 6.274 6.476 -12.268 809 HB ILE 23 HB ILE 23 8.549 5.728 -11.856 810 HG12 ILE 23 HG12 ILE 23 6.749 3.260 -11.819 811 HG13 ILE 23 HG13 ILE 23 7.101 4.217 -13.253 812 HG21 ILE 23 HG21 ILE 23 7.524 4.161 -9.470 813 HG22 ILE 23 HG22 ILE 23 8.521 5.618 -9.417 814 HG23 ILE 23 HG23 ILE 23 9.177 4.126 -10.094 815 HD11 ILE 23 HD11 ILE 23 9.478 3.599 -13.057 816 HD12 ILE 23 HD12 ILE 23 8.423 2.196 -13.215 817 HD13 ILE 23 HD13 ILE 23 9.092 2.617 -11.639 818 H SER 24 H SER 24 4.634 5.047 -12.648 819 HA SER 24 HA SER 24 2.543 4.683 -10.807 820 HB2 SER 24 HB2 SER 24 3.095 3.116 -13.366 821 HB3 SER 24 HB3 SER 24 1.550 3.162 -12.509 822 HG SER 24 HG SER 24 1.911 4.657 -14.370 823 H ILE 25 H ILE 25 1.904 2.978 -9.514 824 HA ILE 25 HA ILE 25 3.766 1.404 -8.215 825 HB ILE 25 HB ILE 25 0.747 1.058 -8.359 826 HG12 ILE 25 HG12 ILE 25 2.533 2.414 -6.282 827 HG13 ILE 25 HG13 ILE 25 1.517 3.236 -7.456 828 HG21 ILE 25 HG21 ILE 25 2.645 -0.276 -6.386 829 HG22 ILE 25 HG22 ILE 25 1.666 -1.087 -7.614 830 HG23 ILE 25 HG23 ILE 25 0.882 -0.273 -6.263 831 HD11 ILE 25 HD11 ILE 25 0.560 1.537 -5.147 832 HD12 ILE 25 HD12 ILE 25 -0.478 2.322 -6.339 833 HD13 ILE 25 HD13 ILE 25 0.519 3.297 -5.262 834 HA PRO 26 HA PRO 26 2.598 -2.608 -10.709 835 HB2 PRO 26 HB2 PRO 26 1.374 -2.494 -13.145 836 HB3 PRO 26 HB3 PRO 26 0.456 -2.491 -11.633 837 HG2 PRO 26 HG2 PRO 26 1.266 -0.143 -13.354 838 HG3 PRO 26 HG3 PRO 26 -0.327 -0.513 -12.654 839 HD2 PRO 26 HD2 PRO 26 1.378 1.255 -11.478 840 HD3 PRO 26 HD3 PRO 26 0.290 0.228 -10.524 841 H GLU 27 H GLU 27 3.695 0.218 -12.504 842 HA GLU 27 HA GLU 27 5.384 -1.211 -14.378 843 HB2 GLU 27 HB2 GLU 27 4.393 1.097 -14.799 844 HB3 GLU 27 HB3 GLU 27 5.493 1.735 -13.573 845 HG2 GLU 27 HG2 GLU 27 7.427 1.054 -14.933 846 HG3 GLU 27 HG3 GLU 27 6.358 0.342 -16.137 847 H LEU 28 H LEU 28 5.851 0.780 -11.522 848 HA LEU 28 HA LEU 28 8.512 0.400 -10.876 849 HB2 LEU 28 HB2 LEU 28 7.017 2.016 -9.838 850 HB3 LEU 28 HB3 LEU 28 6.015 0.734 -9.188 851 HG LEU 28 HG LEU 28 7.798 0.113 -7.610 852 HD11 LEU 28 HD11 LEU 28 9.798 1.524 -7.307 853 HD12 LEU 28 HD12 LEU 28 9.386 2.430 -8.765 854 HD13 LEU 28 HD13 LEU 28 9.799 0.717 -8.875 855 HD21 LEU 28 HD21 LEU 28 7.616 2.125 -6.182 856 HD22 LEU 28 HD22 LEU 28 6.080 1.710 -6.951 857 HD23 LEU 28 HD23 LEU 28 7.045 3.052 -7.578 858 H ALA 29 H ALA 29 5.693 -1.646 -10.133 859 HA ALA 29 HA ALA 29 6.906 -3.631 -8.550 860 HB1 ALA 29 HB1 ALA 29 4.959 -5.024 -9.087 861 HB2 ALA 29 HB2 ALA 29 4.531 -3.937 -10.413 862 HB3 ALA 29 HB3 ALA 29 4.470 -3.362 -8.745 863 H ARG 30 H ARG 30 6.632 -3.379 -12.104 864 HA ARG 30 HA ARG 30 7.692 -6.010 -12.614 865 HB2 ARG 30 HB2 ARG 30 7.296 -5.640 -14.871 866 HB3 ARG 30 HB3 ARG 30 6.137 -4.535 -14.153 867 HG2 ARG 30 HG2 ARG 30 7.822 -2.676 -14.541 868 HG3 ARG 30 HG3 ARG 30 8.802 -3.840 -15.430 869 HD2 ARG 30 HD2 ARG 30 6.870 -4.208 -16.979 870 HD3 ARG 30 HD3 ARG 30 5.982 -2.940 -16.120 871 HE ARG 30 HE ARG 30 8.561 -2.102 -17.120 872 HH11 ARG 30 HH11 ARG 30 5.196 -2.336 -17.894 873 HH12 ARG 30 HH12 ARG 30 5.312 -1.219 -19.202 874 HH21 ARG 30 HH21 ARG 30 8.692 -0.707 -18.805 875 HH22 ARG 30 HH22 ARG 30 7.287 -0.323 -19.730 876 H LYS 31 H LYS 31 9.089 -2.848 -12.099 877 HA LYS 31 HA LYS 31 11.742 -3.482 -13.062 878 HB2 LYS 31 HB2 LYS 31 10.912 -1.267 -11.128 879 HB3 LYS 31 HB3 LYS 31 12.426 -1.360 -12.021 880 HG2 LYS 31 HG2 LYS 31 9.656 -0.885 -13.165 881 HG3 LYS 31 HG3 LYS 31 10.966 0.287 -13.048 882 HD2 LYS 31 HD2 LYS 31 10.993 -2.228 -14.777 883 HD3 LYS 31 HD3 LYS 31 10.647 -0.600 -15.360 884 HE2 LYS 31 HE2 LYS 31 12.937 0.109 -14.757 885 HE3 LYS 31 HE3 LYS 31 13.278 -1.507 -14.129 886 HZ1 LYS 31 HZ1 LYS 31 12.905 -2.388 -16.362 887 HZ2 LYS 31 HZ2 LYS 31 14.156 -1.251 -16.340 888 HZ3 LYS 31 HZ3 LYS 31 12.636 -0.825 -16.945 889 H VAL 32 H VAL 32 10.129 -3.435 -9.866 890 HA VAL 32 HA VAL 32 12.573 -4.173 -8.437 891 HB VAL 32 HB VAL 32 11.296 -3.887 -6.377 892 HG11 VAL 32 HG11 VAL 32 10.753 -1.617 -8.331 893 HG12 VAL 32 HG12 VAL 32 12.238 -1.868 -7.408 894 HG13 VAL 32 HG13 VAL 32 10.735 -1.487 -6.568 895 HG21 VAL 32 HG21 VAL 32 8.833 -3.431 -8.106 896 HG22 VAL 32 HG22 VAL 32 8.912 -3.211 -6.357 897 HG23 VAL 32 HG23 VAL 32 9.121 -4.817 -7.055 898 H ASN 33 H ASN 33 10.531 -5.968 -10.182 899 HA ASN 33 HA ASN 33 10.003 -8.152 -10.427 900 HB2 ASN 33 HB2 ASN 33 12.143 -8.593 -8.308 901 HB3 ASN 33 HB3 ASN 33 11.458 -9.864 -9.320 902 HD21 ASN 33 HD21 ASN 33 14.242 -8.800 -9.090 903 HD22 ASN 33 HD22 ASN 33 14.692 -8.381 -10.704 904 H LEU 34 H LEU 34 8.803 -6.532 -7.992 905 HA LEU 34 HA LEU 34 7.658 -8.773 -6.437 906 HB2 LEU 34 HB2 LEU 34 7.457 -5.768 -5.952 907 HB3 LEU 34 HB3 LEU 34 6.850 -7.024 -4.883 908 HG LEU 34 HG LEU 34 9.799 -6.584 -5.532 909 HD11 LEU 34 HD11 LEU 34 8.274 -5.835 -3.013 910 HD12 LEU 34 HD12 LEU 34 8.912 -4.713 -4.220 911 HD13 LEU 34 HD13 LEU 34 10.018 -5.690 -3.260 912 HD21 LEU 34 HD21 LEU 34 8.486 -8.444 -3.514 913 HD22 LEU 34 HD22 LEU 34 10.224 -8.175 -3.686 914 HD23 LEU 34 HD23 LEU 34 9.317 -8.923 -4.996 915 H SER 35 H SER 35 5.335 -8.792 -6.019 916 HA SER 35 HA SER 35 3.594 -8.340 -8.198 917 HB2 SER 35 HB2 SER 35 2.827 -8.672 -5.258 918 HB3 SER 35 HB3 SER 35 1.796 -8.981 -6.655 919 HG SER 35 HG SER 35 2.584 -10.913 -6.657 920 H VAL 36 H VAL 36 1.787 -6.832 -8.382 921 HA VAL 36 HA VAL 36 2.312 -4.116 -7.946 922 HB VAL 36 HB VAL 36 -0.403 -5.445 -8.346 923 HG11 VAL 36 HG11 VAL 36 0.393 -2.546 -8.826 924 HG12 VAL 36 HG12 VAL 36 -0.723 -3.142 -7.589 925 HG13 VAL 36 HG13 VAL 36 -1.149 -3.270 -9.296 926 HG21 VAL 36 HG21 VAL 36 -0.076 -5.020 -10.761 927 HG22 VAL 36 HG22 VAL 36 1.185 -6.074 -10.120 928 HG23 VAL 36 HG23 VAL 36 1.534 -4.372 -10.433 929 H GLU 37 H GLU 37 0.035 -6.206 -6.177 930 HA GLU 37 HA GLU 37 -0.801 -4.508 -4.114 931 HB2 GLU 37 HB2 GLU 37 -0.329 -7.515 -3.977 932 HB3 GLU 37 HB3 GLU 37 -1.349 -6.592 -2.877 933 HG2 GLU 37 HG2 GLU 37 -2.956 -6.150 -4.618 934 HG3 GLU 37 HG3 GLU 37 -1.879 -6.793 -5.854 935 H SER 38 H SER 38 2.021 -6.677 -4.240 936 HA SER 38 HA SER 38 3.028 -6.325 -1.628 937 HB2 SER 38 HB2 SER 38 4.476 -7.103 -4.188 938 HB3 SER 38 HB3 SER 38 5.195 -7.198 -2.577 939 HG SER 38 HG SER 38 4.190 -9.176 -3.416 940 H THR 39 H THR 39 3.618 -4.507 -4.602 941 HA THR 39 HA THR 39 5.672 -2.803 -3.563 942 HB THR 39 HB THR 39 3.884 -2.502 -6.014 943 HG1 THR 39 HG1 THR 39 6.316 -3.014 -6.751 944 HG21 THR 39 HG21 THR 39 4.790 -0.285 -5.409 945 HG22 THR 39 HG22 THR 39 5.572 -0.899 -6.864 946 HG23 THR 39 HG23 THR 39 6.420 -0.962 -5.319 947 H ALA 40 H ALA 40 2.141 -2.314 -4.118 948 HA ALA 40 HA ALA 40 1.930 0.371 -3.294 949 HB1 ALA 40 HB1 ALA 40 0.171 -0.810 -4.545 950 HB2 ALA 40 HB2 ALA 40 -0.489 -0.058 -3.091 951 HB3 ALA 40 HB3 ALA 40 -0.189 -1.799 -3.129 952 H LEU 41 H LEU 41 1.500 -2.599 -1.375 953 HA LEU 41 HA LEU 41 0.972 -1.487 1.172 954 HB2 LEU 41 HB2 LEU 41 0.825 -3.929 0.326 955 HB3 LEU 41 HB3 LEU 41 2.539 -4.038 0.655 956 HG LEU 41 HG LEU 41 0.322 -3.621 2.719 957 HD11 LEU 41 HD11 LEU 41 2.107 -5.996 2.152 958 HD12 LEU 41 HD12 LEU 41 0.390 -5.851 1.752 959 HD13 LEU 41 HD13 LEU 41 0.897 -5.888 3.439 960 HD21 LEU 41 HD21 LEU 41 2.018 -3.938 4.481 961 HD22 LEU 41 HD22 LEU 41 2.367 -2.497 3.534 962 HD23 LEU 41 HD23 LEU 41 3.303 -3.970 3.267 963 H ALA 42 H ALA 42 4.008 -2.505 -0.354 964 HA ALA 42 HA ALA 42 5.835 -1.971 1.700 965 HB1 ALA 42 HB1 ALA 42 6.273 -1.892 -1.305 966 HB2 ALA 42 HB2 ALA 42 6.366 -3.321 -0.276 967 HB3 ALA 42 HB3 ALA 42 7.542 -2.024 -0.087 968 H VAL 43 H VAL 43 4.365 0.180 -0.663 969 HA VAL 43 HA VAL 43 6.047 2.468 -0.264 970 HB VAL 43 HB VAL 43 3.199 2.266 -1.331 971 HG11 VAL 43 HG11 VAL 43 3.528 4.535 -0.433 972 HG12 VAL 43 HG12 VAL 43 3.476 4.573 -2.191 973 HG13 VAL 43 HG13 VAL 43 5.024 4.705 -1.355 974 HG21 VAL 43 HG21 VAL 43 4.239 2.596 -3.548 975 HG22 VAL 43 HG22 VAL 43 4.911 1.173 -2.752 976 HG23 VAL 43 HG23 VAL 43 5.837 2.672 -2.802 977 H GLY 44 H GLY 44 3.009 1.386 1.279 978 HA2 GLY 44 HA2 GLY 44 2.648 3.574 3.068 979 HA3 GLY 44 HA3 GLY 44 2.022 1.944 3.286 980 H TRP 45 H TRP 45 4.646 0.670 3.217 981 HA TRP 45 HA TRP 45 5.502 0.983 5.947 982 HB2 TRP 45 HB2 TRP 45 5.429 -1.193 4.568 983 HB3 TRP 45 HB3 TRP 45 6.915 -0.644 3.800 984 HD1 TRP 45 HD1 TRP 45 9.164 -1.018 5.176 985 HE1 TRP 45 HE1 TRP 45 9.690 -2.099 7.443 986 HE3 TRP 45 HE3 TRP 45 4.416 -1.413 7.023 987 HZ2 TRP 45 HZ2 TRP 45 8.309 -3.040 9.695 988 HZ3 TRP 45 HZ3 TRP 45 4.101 -2.428 9.253 989 HH2 TRP 45 HH2 TRP 45 6.013 -3.214 10.562 990 H LEU 46 H LEU 46 6.734 2.119 2.825 991 HA LEU 46 HA LEU 46 9.094 3.391 3.895 992 HB2 LEU 46 HB2 LEU 46 7.505 3.865 1.346 993 HB3 LEU 46 HB3 LEU 46 9.009 4.705 1.722 994 HG LEU 46 HG LEU 46 8.737 1.690 1.404 995 HD11 LEU 46 HD11 LEU 46 9.940 1.948 -0.715 996 HD12 LEU 46 HD12 LEU 46 9.898 3.706 -0.545 997 HD13 LEU 46 HD13 LEU 46 8.392 2.797 -0.741 998 HD21 LEU 46 HD21 LEU 46 11.213 3.414 1.785 999 HD22 LEU 46 HD22 LEU 46 11.208 1.678 1.456 1000 HD23 LEU 46 HD23 LEU 46 10.526 2.288 2.960 1001 H ALA 47 H ALA 47 5.745 4.332 3.414 1002 HA ALA 47 HA ALA 47 5.901 7.088 3.892 1003 HB1 ALA 47 HB1 ALA 47 3.471 6.991 4.187 1004 HB2 ALA 47 HB2 ALA 47 3.546 5.236 4.372 1005 HB3 ALA 47 HB3 ALA 47 3.972 5.979 2.829 1006 H ARG 48 H ARG 48 5.537 4.374 6.238 1007 HA ARG 48 HA ARG 48 5.155 5.990 8.558 1008 HB2 ARG 48 HB2 ARG 48 5.880 4.057 9.875 1009 HB3 ARG 48 HB3 ARG 48 4.769 3.569 8.606 1010 HG2 ARG 48 HG2 ARG 48 6.529 2.581 7.316 1011 HG3 ARG 48 HG3 ARG 48 7.774 3.283 8.346 1012 HD2 ARG 48 HD2 ARG 48 5.766 1.167 9.206 1013 HD3 ARG 48 HD3 ARG 48 7.455 0.865 8.769 1014 HE ARG 48 HE ARG 48 7.291 2.815 10.813 1015 HH11 ARG 48 HH11 ARG 48 7.052 -0.600 10.412 1016 HH12 ARG 48 HH12 ARG 48 7.500 -0.918 12.044 1017 HH21 ARG 48 HH21 ARG 48 7.832 2.401 12.850 1018 HH22 ARG 48 HH22 ARG 48 7.937 0.775 13.420 1019 H GLU 49 H GLU 49 8.058 5.018 6.816 1020 HA GLU 49 HA GLU 49 9.932 6.147 8.732 1021 HB2 GLU 49 HB2 GLU 49 10.428 5.122 5.906 1022 HB3 GLU 49 HB3 GLU 49 11.649 5.399 7.144 1023 HG2 GLU 49 HG2 GLU 49 10.708 3.557 8.484 1024 HG3 GLU 49 HG3 GLU 49 9.459 3.295 7.267 1025 H ASN 50 H ASN 50 7.907 7.497 6.471 1026 HA ASN 50 HA ASN 50 7.587 9.523 5.541 1027 HB2 ASN 50 HB2 ASN 50 9.953 10.437 7.244 1028 HB3 ASN 50 HB3 ASN 50 8.798 11.499 6.442 1029 HD21 ASN 50 HD21 ASN 50 9.316 9.370 9.141 1030 HD22 ASN 50 HD22 ASN 50 7.858 9.747 9.981 1031 H LYS 51 H LYS 51 9.304 7.595 4.217 1032 HA LYS 51 HA LYS 51 11.457 9.101 2.914 1033 HB2 LYS 51 HB2 LYS 51 10.781 6.168 3.167 1034 HB3 LYS 51 HB3 LYS 51 11.978 6.709 1.995 1035 HG2 LYS 51 HG2 LYS 51 13.460 7.483 3.670 1036 HG3 LYS 51 HG3 LYS 51 12.208 7.459 4.915 1037 HD2 LYS 51 HD2 LYS 51 13.824 5.603 5.175 1038 HD3 LYS 51 HD3 LYS 51 12.180 5.033 4.915 1039 HE2 LYS 51 HE2 LYS 51 12.773 4.656 2.495 1040 HE3 LYS 51 HE3 LYS 51 14.450 5.037 2.908 1041 HZ1 LYS 51 HZ1 LYS 51 14.473 3.204 4.441 1042 HZ2 LYS 51 HZ2 LYS 51 13.979 2.656 2.920 1043 HZ3 LYS 51 HZ3 LYS 51 12.836 2.882 4.149 1044 H VAL 52 H VAL 52 8.242 8.641 2.122 1045 HA VAL 52 HA VAL 52 8.827 8.899 -0.780 1046 HB VAL 52 HB VAL 52 6.635 7.760 -1.297 1047 HG11 VAL 52 HG11 VAL 52 8.680 6.044 0.160 1048 HG12 VAL 52 HG12 VAL 52 8.745 6.534 -1.535 1049 HG13 VAL 52 HG13 VAL 52 7.467 5.451 -0.981 1050 HG21 VAL 52 HG21 VAL 52 5.507 8.039 0.890 1051 HG22 VAL 52 HG22 VAL 52 6.675 6.955 1.648 1052 HG23 VAL 52 HG23 VAL 52 5.556 6.332 0.432 1053 H VAL 53 H VAL 53 7.565 10.281 -1.985 1054 HA VAL 53 HA VAL 53 5.561 12.003 -0.626 1055 HB VAL 53 HB VAL 53 7.069 12.530 -3.235 1056 HG11 VAL 53 HG11 VAL 53 6.085 14.816 -3.148 1057 HG12 VAL 53 HG12 VAL 53 5.129 14.347 -1.743 1058 HG13 VAL 53 HG13 VAL 53 4.840 13.572 -3.304 1059 HG21 VAL 53 HG21 VAL 53 8.587 12.708 -1.308 1060 HG22 VAL 53 HG22 VAL 53 7.477 13.830 -0.516 1061 HG23 VAL 53 HG23 VAL 53 8.286 14.302 -2.010 1062 H ILE 54 H ILE 54 3.438 11.642 -1.220 1063 HA ILE 54 HA ILE 54 2.894 9.917 -3.572 1064 HB ILE 54 HB ILE 54 1.469 10.002 -0.874 1065 HG12 ILE 54 HG12 ILE 54 3.103 7.787 -2.211 1066 HG13 ILE 54 HG13 ILE 54 3.649 8.785 -0.871 1067 HG21 ILE 54 HG21 ILE 54 0.745 8.320 -3.304 1068 HG22 ILE 54 HG22 ILE 54 -0.202 9.660 -2.655 1069 HG23 ILE 54 HG23 ILE 54 0.007 8.188 -1.707 1070 HD11 ILE 54 HD11 ILE 54 1.420 6.764 -0.822 1071 HD12 ILE 54 HD12 ILE 54 1.883 7.798 0.535 1072 HD13 ILE 54 HD13 ILE 54 3.021 6.610 -0.102 1073 H GLU 55 H GLU 55 1.544 10.695 -5.053 1074 HA GLU 55 HA GLU 55 -0.004 13.155 -4.578 1075 HB2 GLU 55 HB2 GLU 55 2.287 13.851 -5.179 1076 HB3 GLU 55 HB3 GLU 55 2.223 12.867 -6.637 1077 HG2 GLU 55 HG2 GLU 55 1.934 15.250 -7.092 1078 HG3 GLU 55 HG3 GLU 55 0.536 14.299 -7.589 1079 H ARG 56 H ARG 56 -1.907 13.107 -5.620 1080 HA ARG 56 HA ARG 56 -2.420 11.086 -7.702 1081 HB2 ARG 56 HB2 ARG 56 -4.291 12.768 -5.993 1082 HB3 ARG 56 HB3 ARG 56 -4.855 11.795 -7.353 1083 HG2 ARG 56 HG2 ARG 56 -3.890 9.771 -6.244 1084 HG3 ARG 56 HG3 ARG 56 -3.473 10.773 -4.850 1085 HD2 ARG 56 HD2 ARG 56 -5.813 11.247 -4.427 1086 HD3 ARG 56 HD3 ARG 56 -6.297 10.423 -5.915 1087 HE ARG 56 HE ARG 56 -5.052 8.448 -4.620 1088 HH11 ARG 56 HH11 ARG 56 -7.396 10.691 -3.433 1089 HH12 ARG 56 HH12 ARG 56 -8.085 9.544 -2.353 1090 HH21 ARG 56 HH21 ARG 56 -5.983 6.994 -3.238 1091 HH22 ARG 56 HH22 ARG 56 -7.312 7.489 -2.250 1092 H LYS 57 H LYS 57 -1.657 11.876 -9.537 1093 HA LYS 57 HA LYS 57 -2.477 14.558 -10.494 1094 HB2 LYS 57 HB2 LYS 57 -0.225 12.702 -11.377 1095 HB3 LYS 57 HB3 LYS 57 -0.633 14.217 -12.191 1096 HG2 LYS 57 HG2 LYS 57 -0.121 15.477 -10.158 1097 HG3 LYS 57 HG3 LYS 57 0.187 13.978 -9.281 1098 HD2 LYS 57 HD2 LYS 57 2.289 15.044 -9.892 1099 HD3 LYS 57 HD3 LYS 57 2.118 13.512 -10.753 1100 HE2 LYS 57 HE2 LYS 57 3.020 15.265 -12.228 1101 HE3 LYS 57 HE3 LYS 57 1.436 14.739 -12.794 1102 HZ1 LYS 57 HZ1 LYS 57 0.459 16.696 -11.805 1103 HZ2 LYS 57 HZ2 LYS 57 1.707 17.153 -12.847 1104 HZ3 LYS 57 HZ3 LYS 57 1.952 17.175 -11.177 1105 H ASN 58 H ASN 58 -3.966 14.693 -12.016 1106 HA ASN 58 HA ASN 58 -5.735 14.194 -13.334 1107 HB2 ASN 58 HB2 ASN 58 -3.924 12.005 -14.457 1108 HB3 ASN 58 HB3 ASN 58 -5.360 12.660 -15.237 1109 HD21 ASN 58 HD21 ASN 58 -2.029 13.242 -14.433 1110 HD22 ASN 58 HD22 ASN 58 -1.815 14.635 -15.428 1111 H GLY 59 H GLY 59 -5.593 12.968 -10.718 1112 HA2 GLY 59 HA2 GLY 59 -7.083 11.620 -9.509 1113 HA3 GLY 59 HA3 GLY 59 -7.503 10.757 -10.976 1114 H LEU 60 H LEU 60 -4.495 10.376 -11.506 1115 HA LEU 60 HA LEU 60 -4.400 7.775 -10.144 1116 HB2 LEU 60 HB2 LEU 60 -2.932 8.834 -12.591 1117 HB3 LEU 60 HB3 LEU 60 -2.589 7.273 -11.866 1118 HG LEU 60 HG LEU 60 -5.038 6.650 -12.311 1119 HD11 LEU 60 HD11 LEU 60 -5.971 8.885 -12.647 1120 HD12 LEU 60 HD12 LEU 60 -6.258 7.852 -14.045 1121 HD13 LEU 60 HD13 LEU 60 -4.998 9.087 -14.107 1122 HD21 LEU 60 HD21 LEU 60 -3.274 7.176 -14.720 1123 HD22 LEU 60 HD22 LEU 60 -4.633 6.049 -14.654 1124 HD23 LEU 60 HD23 LEU 60 -3.204 5.762 -13.664 1125 H ILE 61 H ILE 61 -2.743 7.081 -8.862 1126 HA ILE 61 HA ILE 61 -1.129 9.076 -7.520 1127 HB ILE 61 HB ILE 61 -1.272 6.055 -7.091 1128 HG12 ILE 61 HG12 ILE 61 -2.748 8.297 -5.641 1129 HG13 ILE 61 HG13 ILE 61 -3.475 7.145 -6.756 1130 HG21 ILE 61 HG21 ILE 61 -0.135 8.197 -5.252 1131 HG22 ILE 61 HG22 ILE 61 0.796 6.982 -6.131 1132 HG23 ILE 61 HG23 ILE 61 -0.309 6.485 -4.850 1133 HD11 ILE 61 HD11 ILE 61 -2.259 6.500 -4.071 1134 HD12 ILE 61 HD12 ILE 61 -2.977 5.329 -5.187 1135 HD13 ILE 61 HD13 ILE 61 -3.975 6.592 -4.463 1136 H GLU 62 H GLU 62 1.025 9.472 -7.781 1137 HA GLU 62 HA GLU 62 2.801 7.431 -9.006 1138 HB2 GLU 62 HB2 GLU 62 3.112 10.470 -9.060 1139 HB3 GLU 62 HB3 GLU 62 4.341 9.331 -9.610 1140 HG2 GLU 62 HG2 GLU 62 2.735 8.504 -11.332 1141 HG3 GLU 62 HG3 GLU 62 1.589 9.743 -10.821 1142 H ILE 63 H ILE 63 4.399 6.694 -7.684 1143 HA ILE 63 HA ILE 63 4.738 7.806 -5.008 1144 HB ILE 63 HB ILE 63 6.067 5.329 -6.198 1145 HG12 ILE 63 HG12 ILE 63 3.664 4.964 -6.395 1146 HG13 ILE 63 HG13 ILE 63 4.246 4.000 -5.045 1147 HG21 ILE 63 HG21 ILE 63 6.342 4.620 -3.835 1148 HG22 ILE 63 HG22 ILE 63 5.639 6.147 -3.299 1149 HG23 ILE 63 HG23 ILE 63 7.174 6.141 -4.169 1150 HD11 ILE 63 HD11 ILE 63 2.140 4.984 -4.494 1151 HD12 ILE 63 HD12 ILE 63 2.723 6.597 -4.896 1152 HD13 ILE 63 HD13 ILE 63 3.386 5.739 -3.502 1153 H TYR 64 H TYR 64 6.110 9.500 -4.913 1154 HA TYR 64 HA TYR 64 8.665 9.584 -6.376 1155 HB2 TYR 64 HB2 TYR 64 7.362 11.705 -4.605 1156 HB3 TYR 64 HB3 TYR 64 8.785 11.936 -5.608 1157 HD1 TYR 64 HD2 TYR 64 5.088 11.573 -5.641 1158 HD2 TYR 64 HD1 TYR 64 8.558 12.300 -8.035 1159 HE1 TYR 64 HE2 TYR 64 3.659 12.309 -7.500 1160 HE2 TYR 64 HE1 TYR 64 7.119 13.046 -9.885 1161 HH TYR 64 HH TYR 64 4.688 12.586 -10.623 1162 H ASN 65 H ASN 65 10.580 10.417 -5.063 1163 HA ASN 65 HA ASN 65 10.812 8.984 -2.483 1164 HB2 ASN 65 HB2 ASN 65 12.414 8.580 -4.458 1165 HB3 ASN 65 HB3 ASN 65 13.067 10.179 -4.145 1166 HD21 ASN 65 HD21 ASN 65 14.334 7.545 -4.022 1167 HD22 ASN 65 HD22 ASN 65 15.017 7.413 -2.448 1168 H GLU 66 H GLU 66 11.774 9.985 -0.663 1169 HA GLU 66 HA GLU 66 11.156 12.666 -0.012 1170 HB2 GLU 66 HB2 GLU 66 11.382 10.755 1.597 1171 HB3 GLU 66 HB3 GLU 66 13.117 10.761 1.339 1172 HG2 GLU 66 HG2 GLU 66 11.676 13.186 2.428 1173 HG3 GLU 66 HG3 GLU 66 12.137 11.855 3.483 1174 H GLY 67 H GLY 67 14.204 11.129 -1.063 1175 HA2 GLY 67 HA2 GLY 67 15.825 13.523 -0.929 1176 HA3 GLY 67 HA3 GLY 67 16.266 11.991 -1.665 1177 H HIS 68 H HIS 68 13.861 14.555 -2.266 1178 HA HIS 68 HA HIS 68 14.772 14.934 -5.032 1179 HB2 HIS 68 HB2 HIS 68 12.946 13.160 -5.037 1180 HB3 HIS 68 HB3 HIS 68 11.846 14.346 -4.356 1181 HD1 HIS 68 HD1 HIS 68 13.379 13.235 -7.534 1182 HD2 HIS 68 HD2 HIS 68 11.031 16.386 -6.204 1183 HE1 HIS 68 HE1 HIS 68 12.550 14.361 -9.607 1184 HE2 HIS 68 HE2 HIS 68 11.318 16.390 -8.776 1185 H PHE 69 H PHE 69 12.812 15.973 -2.254 1186 HA PHE 69 HA PHE 69 12.594 18.726 -3.327 1187 HB2 PHE 69 HB2 PHE 69 10.827 19.093 -1.671 1188 HB3 PHE 69 HB3 PHE 69 10.470 17.662 -2.621 1189 HD1 PHE 69 HD1 PHE 69 10.472 15.416 -1.562 1190 HD2 PHE 69 HD2 PHE 69 11.334 18.911 0.756 1191 HE1 PHE 69 HE1 PHE 69 10.115 14.145 0.515 1192 HE2 PHE 69 HE2 PHE 69 10.984 17.621 2.820 1193 HZ PHE 69 HZ PHE 69 10.371 15.240 2.702 1194 H ASP 70 H ASP 70 15.090 17.568 -2.100 1195 HA ASP 70 HA ASP 70 15.476 18.527 0.540 1196 HB2 ASP 70 HB2 ASP 70 17.894 18.080 0.119 1197 HB3 ASP 70 HB3 ASP 70 16.851 16.740 -0.337 1198 H PHE 71 H PHE 71 15.471 20.353 -2.391 1199 HA PHE 71 HA PHE 71 17.021 22.602 -1.420 1200 HB2 PHE 71 HB2 PHE 71 16.813 22.186 -3.839 1201 HB3 PHE 71 HB3 PHE 71 15.066 22.373 -3.750 1202 HD1 PHE 71 HD2 PHE 71 18.231 24.285 -3.032 1203 HD2 PHE 71 HD1 PHE 71 14.144 24.484 -4.285 1204 HE1 PHE 71 HE2 PHE 71 18.482 26.689 -3.494 1205 HE2 PHE 71 HE1 PHE 71 14.404 26.889 -4.739 1206 HZ PHE 71 HZ PHE 71 16.573 27.993 -4.345 1207 H SER 72 H SER 72 13.634 21.618 -1.329 1208 HA SER 72 HA SER 72 12.576 24.021 -0.151 1209 HB2 SER 72 HB2 SER 72 11.104 22.373 -1.309 1210 HB3 SER 72 HB3 SER 72 11.469 21.173 -0.068 1211 HG SER 72 HG SER 72 9.507 22.204 0.379 1212 H PHE 73 H PHE 73 13.914 24.595 1.562 1213 HA PHE 73 HA PHE 73 14.752 22.790 3.632 1214 HB2 PHE 73 HB2 PHE 73 14.912 25.831 3.534 1215 HB3 PHE 73 HB3 PHE 73 15.745 24.802 4.699 1216 HD1 PHE 73 HD2 PHE 73 17.201 22.827 3.531 1217 HD2 PHE 73 HD1 PHE 73 16.194 26.559 1.687 1218 HE1 PHE 73 HE2 PHE 73 19.095 22.575 1.975 1219 HE2 PHE 73 HE1 PHE 73 18.086 26.291 0.134 1220 HZ PHE 73 HZ PHE 73 19.537 24.305 0.278 1221 H GLY 74 H GLY 74 12.733 21.947 4.284 1222 HA2 GLY 74 HA2 GLY 74 11.431 23.507 6.458 1223 HA3 GLY 74 HA3 GLY 74 10.483 22.544 5.326 1224 H LEU 75 H LEU 75 13.575 21.894 6.930 1225 HA LEU 75 HA LEU 75 12.741 19.158 7.556 1226 HB2 LEU 75 HB2 LEU 75 15.460 20.528 7.637 1227 HB3 LEU 75 HB3 LEU 75 15.202 18.879 8.171 1228 HG LEU 75 HG LEU 75 14.422 18.322 5.810 1229 HD11 LEU 75 HD11 LEU 75 13.882 20.553 4.974 1230 HD12 LEU 75 HD12 LEU 75 15.090 19.774 3.954 1231 HD13 LEU 75 HD13 LEU 75 15.578 21.032 5.095 1232 HD21 LEU 75 HD21 LEU 75 16.643 17.687 6.616 1233 HD22 LEU 75 HD22 LEU 75 17.295 19.252 6.123 1234 HD23 LEU 75 HD23 LEU 75 16.702 18.120 4.906 1235 H GLU 76 H GLU 76 12.282 21.913 9.276 1236 HA GLU 76 HA GLU 76 13.363 21.282 11.836 1237 HB2 GLU 76 HB2 GLU 76 12.634 23.578 11.287 1238 HB3 GLU 76 HB3 GLU 76 10.963 23.042 11.187 1239 HG2 GLU 76 HG2 GLU 76 11.345 24.183 13.302 1240 HG3 GLU 76 HG3 GLU 76 10.992 22.483 13.601 1241 H HIS 77 H HIS 77 12.793 19.754 13.207 1242 HA HIS 77 HA HIS 77 10.073 18.557 13.156 1243 HB2 HIS 77 HB2 HIS 77 12.747 17.143 13.583 1244 HB3 HIS 77 HB3 HIS 77 11.171 16.384 13.774 1245 HD1 HIS 77 HD1 HIS 77 13.780 16.690 11.384 1246 HD2 HIS 77 HD2 HIS 77 9.631 16.615 11.156 1247 HE1 HIS 77 HE1 HIS 77 13.251 16.033 9.028 1248 HE2 HIS 77 HE2 HIS 77 10.745 15.910 8.927 1249 H HIS 78 H HIS 78 11.358 20.736 14.876 1250 HA HIS 78 HA HIS 78 11.578 19.713 17.535 1251 HB2 HIS 78 HB2 HIS 78 12.537 21.896 16.913 1252 HB3 HIS 78 HB3 HIS 78 10.932 22.541 16.599 1253 HD1 HIS 78 HD1 HIS 78 9.700 23.534 18.554 1254 HD2 HIS 78 HD2 HIS 78 13.044 21.373 19.739 1255 HE1 HIS 78 HE1 HIS 78 9.979 24.021 20.995 1256 HE2 HIS 78 HE2 HIS 78 12.109 22.853 21.645 1257 H HIS 79 H HIS 79 9.814 18.320 17.760 1258 HA HIS 79 HA HIS 79 7.095 19.428 17.983 1259 HB2 HIS 79 HB2 HIS 79 6.408 17.028 18.313 1260 HB3 HIS 79 HB3 HIS 79 7.222 17.314 16.781 1261 HD1 HIS 79 HD1 HIS 79 7.671 15.561 20.079 1262 HD2 HIS 79 HD2 HIS 79 9.639 15.918 16.440 1263 HE1 HIS 79 HE1 HIS 79 9.467 13.815 20.118 1264 HE2 HIS 79 HE2 HIS 79 10.532 13.939 17.841 1265 H HIS 80 H HIS 80 5.872 18.315 20.001 1266 HA HIS 80 HA HIS 80 7.160 19.223 22.427 1267 HB2 HIS 80 HB2 HIS 80 4.496 17.826 21.932 1268 HB3 HIS 80 HB3 HIS 80 5.036 18.346 23.527 1269 HD1 HIS 80 HD1 HIS 80 4.630 20.746 24.147 1270 HD2 HIS 80 HD2 HIS 80 4.032 20.055 20.090 1271 HE1 HIS 80 HE1 HIS 80 3.648 22.870 23.243 1272 HE2 HIS 80 HE2 HIS 80 3.419 22.479 20.768 1273 H HIS 81 H HIS 81 8.155 18.021 23.969 1274 HA HIS 81 HA HIS 81 8.198 15.100 23.905 1275 HB2 HIS 81 HB2 HIS 81 10.724 15.061 23.805 1276 HB3 HIS 81 HB3 HIS 81 9.960 15.572 22.305 1277 HD1 HIS 81 HD1 HIS 81 10.137 18.143 21.717 1278 HD2 HIS 81 HD2 HIS 81 12.481 16.928 24.922 1279 HE1 HIS 81 HE1 HIS 81 11.755 20.016 22.100 1280 HE2 HIS 81 HE2 HIS 81 13.203 19.242 24.003 1281 H HIS 82 H HIS 82 8.716 14.190 25.858 1282 HA HIS 82 HA HIS 82 9.728 15.760 28.108 1283 HB2 HIS 82 HB2 HIS 82 7.315 16.321 28.139 1284 HB3 HIS 82 HB3 HIS 82 6.887 14.619 28.108 1285 HD1 HIS 82 HD1 HIS 82 7.017 13.317 30.333 1286 HD2 HIS 82 HD2 HIS 82 8.151 17.303 30.676 1287 HE1 HIS 82 HE1 HIS 82 7.104 13.779 32.790 1288 HE2 HIS 82 HE2 HIS 82 7.852 16.163 32.986 Start of MODEL 14 1 H1 MET 1 H1 MET 1 2.025 16.267 1.114 2 H2 MET 1 H2 MET 1 2.164 16.365 2.796 3 H3 MET 1 H3 MET 1 1.990 17.776 1.881 4 HA MET 1 HA MET 1 -0.064 17.183 3.014 5 HB2 MET 1 HB2 MET 1 -1.549 17.468 1.098 6 HB3 MET 1 HB3 MET 1 -0.093 18.414 0.834 7 HG2 MET 1 HG2 MET 1 -0.777 15.761 -0.466 8 HG3 MET 1 HG3 MET 1 -0.767 17.348 -1.240 9 HE1 MET 1 HE1 MET 1 2.316 15.489 -2.879 10 HE2 MET 1 HE2 MET 1 0.763 16.264 -3.188 11 HE3 MET 1 HE3 MET 1 0.824 14.709 -2.353 12 H ASP 2 H ASP 2 1.304 14.659 1.067 13 HA ASP 2 HA ASP 2 -0.713 12.802 0.777 14 HB2 ASP 2 HB2 ASP 2 1.160 11.159 0.479 15 HB3 ASP 2 HB3 ASP 2 1.364 12.644 -0.435 16 H LYS 3 H LYS 3 1.225 13.390 3.634 17 HA LYS 3 HA LYS 3 1.090 10.843 4.838 18 HB2 LYS 3 HB2 LYS 3 2.608 12.999 5.303 19 HB3 LYS 3 HB3 LYS 3 1.389 13.334 6.518 20 HG2 LYS 3 HG2 LYS 3 3.235 12.194 7.560 21 HG3 LYS 3 HG3 LYS 3 1.841 11.114 7.543 22 HD2 LYS 3 HD2 LYS 3 3.712 9.763 6.960 23 HD3 LYS 3 HD3 LYS 3 2.833 10.026 5.459 24 HE2 LYS 3 HE2 LYS 3 5.311 11.574 6.297 25 HE3 LYS 3 HE3 LYS 3 5.328 10.166 5.245 26 HZ1 LYS 3 HZ1 LYS 3 5.440 12.146 3.948 27 HZ2 LYS 3 HZ2 LYS 3 4.059 12.786 4.671 28 HZ3 LYS 3 HZ3 LYS 3 3.936 11.425 3.670 29 H LYS 4 H LYS 4 -0.997 13.735 5.281 30 HA LYS 4 HA LYS 4 -2.735 12.403 7.196 31 HB2 LYS 4 HB2 LYS 4 -4.102 14.425 7.167 32 HB3 LYS 4 HB3 LYS 4 -2.405 14.841 7.351 33 HG2 LYS 4 HG2 LYS 4 -2.261 15.659 5.098 34 HG3 LYS 4 HG3 LYS 4 -3.835 14.984 4.679 35 HD2 LYS 4 HD2 LYS 4 -3.963 17.433 5.001 36 HD3 LYS 4 HD3 LYS 4 -4.956 16.577 6.182 37 HE2 LYS 4 HE2 LYS 4 -3.754 18.433 7.245 38 HE3 LYS 4 HE3 LYS 4 -3.182 16.895 7.889 39 HZ1 LYS 4 HZ1 LYS 4 -1.255 17.054 6.446 40 HZ2 LYS 4 HZ2 LYS 4 -1.372 18.422 7.432 41 HZ3 LYS 4 HZ3 LYS 4 -1.825 18.510 5.806 42 H ILE 5 H ILE 5 -2.676 12.868 3.718 43 HA ILE 5 HA ILE 5 -5.374 12.244 3.116 44 HB ILE 5 HB ILE 5 -2.866 11.832 1.423 45 HG12 ILE 5 HG12 ILE 5 -4.970 14.046 1.370 46 HG13 ILE 5 HG13 ILE 5 -3.353 14.199 2.049 47 HG21 ILE 5 HG21 ILE 5 -5.768 11.690 0.504 48 HG22 ILE 5 HG22 ILE 5 -4.628 10.343 0.564 49 HG23 ILE 5 HG23 ILE 5 -4.356 11.677 -0.556 50 HD11 ILE 5 HD11 ILE 5 -2.396 13.887 -0.193 51 HD12 ILE 5 HD12 ILE 5 -3.499 15.259 -0.122 52 HD13 ILE 5 HD13 ILE 5 -4.023 13.750 -0.865 53 H VAL 6 H VAL 6 -2.501 10.075 2.907 54 HA VAL 6 HA VAL 6 -3.956 7.669 2.618 55 HB VAL 6 HB VAL 6 -1.848 6.479 3.133 56 HG11 VAL 6 HG11 VAL 6 -1.416 8.901 1.335 57 HG12 VAL 6 HG12 VAL 6 -2.166 7.373 0.862 58 HG13 VAL 6 HG13 VAL 6 -0.461 7.414 1.308 59 HG21 VAL 6 HG21 VAL 6 -1.009 7.867 4.993 60 HG22 VAL 6 HG22 VAL 6 -0.712 9.208 3.887 61 HG23 VAL 6 HG23 VAL 6 0.224 7.719 3.736 62 H GLY 7 H GLY 7 -3.021 9.470 5.488 63 HA2 GLY 7 HA2 GLY 7 -3.662 7.564 7.499 64 HA3 GLY 7 HA3 GLY 7 -3.632 9.307 7.696 65 H ALA 8 H ALA 8 -5.607 10.081 5.910 66 HA ALA 8 HA ALA 8 -7.985 9.776 7.421 67 HB1 ALA 8 HB1 ALA 8 -9.048 11.116 5.645 68 HB2 ALA 8 HB2 ALA 8 -7.637 10.875 4.607 69 HB3 ALA 8 HB3 ALA 8 -7.486 11.795 6.105 70 H ASN 9 H ASN 9 -7.025 8.444 4.252 71 HA ASN 9 HA ASN 9 -9.414 6.945 3.800 72 HB2 ASN 9 HB2 ASN 9 -6.655 6.708 2.536 73 HB3 ASN 9 HB3 ASN 9 -8.082 5.841 1.970 74 HD21 ASN 9 HD21 ASN 9 -6.359 8.781 1.807 75 HD22 ASN 9 HD22 ASN 9 -7.504 9.666 0.873 76 H ALA 10 H ALA 10 -6.469 6.234 5.564 77 HA ALA 10 HA ALA 10 -6.664 3.380 5.593 78 HB1 ALA 10 HB1 ALA 10 -5.212 5.239 7.499 79 HB2 ALA 10 HB2 ALA 10 -4.555 4.579 6.000 80 HB3 ALA 10 HB3 ALA 10 -4.948 3.498 7.339 81 H GLY 11 H GLY 11 -7.822 5.955 7.739 82 HA2 GLY 11 HA2 GLY 11 -8.760 4.394 9.898 83 HA3 GLY 11 HA3 GLY 11 -9.355 5.985 9.453 84 H LYS 12 H LYS 12 -10.317 5.314 6.842 85 HA LYS 12 HA LYS 12 -12.903 4.279 7.545 86 HB2 LYS 12 HB2 LYS 12 -12.499 6.177 5.905 87 HB3 LYS 12 HB3 LYS 12 -11.942 4.971 4.744 88 HG2 LYS 12 HG2 LYS 12 -14.160 3.843 4.899 89 HG3 LYS 12 HG3 LYS 12 -14.701 5.107 6.008 90 HD2 LYS 12 HD2 LYS 12 -14.276 6.780 4.152 91 HD3 LYS 12 HD3 LYS 12 -13.964 5.410 3.073 92 HE2 LYS 12 HE2 LYS 12 -16.560 6.009 4.543 93 HE3 LYS 12 HE3 LYS 12 -16.273 6.159 2.811 94 HZ1 LYS 12 HZ1 LYS 12 -15.918 3.746 2.727 95 HZ2 LYS 12 HZ2 LYS 12 -17.456 4.135 3.291 96 HZ3 LYS 12 HZ3 LYS 12 -16.267 3.625 4.376 97 H VAL 13 H VAL 13 -10.214 3.029 5.478 98 HA VAL 13 HA VAL 13 -11.605 0.710 4.579 99 HB VAL 13 HB VAL 13 -9.457 -0.235 3.864 100 HG11 VAL 13 HG11 VAL 13 -10.463 1.484 2.429 101 HG12 VAL 13 HG12 VAL 13 -8.703 1.550 2.337 102 HG13 VAL 13 HG13 VAL 13 -9.582 2.748 3.293 103 HG21 VAL 13 HG21 VAL 13 -8.099 2.043 5.353 104 HG22 VAL 13 HG22 VAL 13 -7.292 0.881 4.296 105 HG23 VAL 13 HG23 VAL 13 -8.041 0.337 5.796 106 H TRP 14 H TRP 14 -9.664 1.334 7.450 107 HA TRP 14 HA TRP 14 -9.659 -1.325 8.491 108 HB2 TRP 14 HB2 TRP 14 -8.113 0.586 9.225 109 HB3 TRP 14 HB3 TRP 14 -9.454 1.195 10.185 110 HD1 TRP 14 HD1 TRP 14 -6.940 -1.714 10.047 111 HE1 TRP 14 HE1 TRP 14 -6.924 -2.894 12.325 112 HE3 TRP 14 HE3 TRP 14 -10.875 0.648 12.201 113 HZ2 TRP 14 HZ2 TRP 14 -8.392 -2.857 14.735 114 HZ3 TRP 14 HZ3 TRP 14 -11.542 0.036 14.509 115 HH2 TRP 14 HH2 TRP 14 -10.319 -1.694 15.746 116 H HIS 15 H HIS 15 -11.941 1.371 8.801 117 HA HIS 15 HA HIS 15 -13.671 0.319 10.782 118 HB2 HIS 15 HB2 HIS 15 -13.707 2.676 9.885 119 HB3 HIS 15 HB3 HIS 15 -14.427 2.072 8.399 120 HD1 HIS 15 HD1 HIS 15 -15.210 2.984 11.912 121 HD2 HIS 15 HD2 HIS 15 -17.188 1.349 8.643 122 HE1 HIS 15 HE1 HIS 15 -17.649 3.104 12.477 123 HE2 HIS 15 HE2 HIS 15 -18.811 1.959 10.565 124 H ALA 16 H ALA 16 -13.581 -0.131 7.261 125 HA ALA 16 HA ALA 16 -15.839 -1.866 7.021 126 HB1 ALA 16 HB1 ALA 16 -14.953 -0.607 5.110 127 HB2 ALA 16 HB2 ALA 16 -14.965 -2.339 4.763 128 HB3 ALA 16 HB3 ALA 16 -13.451 -1.531 5.182 129 H LEU 17 H LEU 17 -12.391 -2.451 7.630 130 HA LEU 17 HA LEU 17 -12.410 -5.311 7.546 131 HB2 LEU 17 HB2 LEU 17 -10.597 -3.324 8.955 132 HB3 LEU 17 HB3 LEU 17 -10.288 -5.052 8.948 133 HG LEU 17 HG LEU 17 -10.436 -3.386 6.408 134 HD11 LEU 17 HD11 LEU 17 -8.609 -2.553 7.834 135 HD12 LEU 17 HD12 LEU 17 -7.995 -3.357 6.385 136 HD13 LEU 17 HD13 LEU 17 -7.941 -4.188 7.943 137 HD21 LEU 17 HD21 LEU 17 -9.316 -5.317 5.375 138 HD22 LEU 17 HD22 LEU 17 -10.854 -5.788 6.093 139 HD23 LEU 17 HD23 LEU 17 -9.342 -6.176 6.920 140 H ASN 18 H ASN 18 -13.064 -2.953 10.128 141 HA ASN 18 HA ASN 18 -13.173 -4.793 12.311 142 HB2 ASN 18 HB2 ASN 18 -12.849 -2.312 12.555 143 HB3 ASN 18 HB3 ASN 18 -14.513 -2.060 12.044 144 HD21 ASN 18 HD21 ASN 18 -13.371 -4.610 14.260 145 HD22 ASN 18 HD22 ASN 18 -14.199 -4.000 15.641 146 H GLU 19 H GLU 19 -15.482 -3.788 9.865 147 HA GLU 19 HA GLU 19 -17.761 -5.215 10.926 148 HB2 GLU 19 HB2 GLU 19 -18.154 -3.342 9.416 149 HB3 GLU 19 HB3 GLU 19 -17.131 -4.061 8.175 150 HG2 GLU 19 HG2 GLU 19 -18.779 -5.918 7.935 151 HG3 GLU 19 HG3 GLU 19 -19.807 -5.130 9.132 152 H ALA 20 H ALA 20 -15.284 -5.838 8.418 153 HA ALA 20 HA ALA 20 -15.546 -8.723 8.644 154 HB1 ALA 20 HB1 ALA 20 -16.268 -7.368 6.015 155 HB2 ALA 20 HB2 ALA 20 -17.390 -8.204 7.090 156 HB3 ALA 20 HB3 ALA 20 -16.119 -9.111 6.269 157 H ASP 21 H ASP 21 -13.343 -8.816 9.147 158 HA ASP 21 HA ASP 21 -11.309 -7.772 7.332 159 HB2 ASP 21 HB2 ASP 21 -9.682 -8.746 8.954 160 HB3 ASP 21 HB3 ASP 21 -10.833 -7.662 9.719 161 H GLY 22 H GLY 22 -9.413 -9.417 6.829 162 HA2 GLY 22 HA2 GLY 22 -8.689 -11.278 5.662 163 HA3 GLY 22 HA3 GLY 22 -10.145 -12.125 6.163 164 H ILE 23 H ILE 23 -10.884 -9.194 4.701 165 HA ILE 23 HA ILE 23 -11.929 -10.351 2.271 166 HB ILE 23 HB ILE 23 -13.097 -8.551 3.575 167 HG12 ILE 23 HG12 ILE 23 -12.403 -7.604 0.759 168 HG13 ILE 23 HG13 ILE 23 -13.598 -8.841 1.133 169 HG21 ILE 23 HG21 ILE 23 -10.862 -6.715 2.659 170 HG22 ILE 23 HG22 ILE 23 -11.137 -7.272 4.310 171 HG23 ILE 23 HG23 ILE 23 -12.317 -6.216 3.531 172 HD11 ILE 23 HD11 ILE 23 -13.731 -5.934 1.941 173 HD12 ILE 23 HD12 ILE 23 -14.923 -7.169 2.360 174 HD13 ILE 23 HD13 ILE 23 -14.667 -6.725 0.674 175 H SER 24 H SER 24 -11.256 -9.586 0.066 176 HA SER 24 HA SER 24 -8.383 -9.202 -0.208 177 HB2 SER 24 HB2 SER 24 -10.563 -9.254 -2.346 178 HB3 SER 24 HB3 SER 24 -8.826 -9.246 -2.667 179 HG SER 24 HG SER 24 -10.307 -11.243 -1.288 180 H ILE 25 H ILE 25 -7.358 -7.404 -1.234 181 HA ILE 25 HA ILE 25 -8.036 -4.898 -0.247 182 HB ILE 25 HB ILE 25 -6.192 -5.571 -2.572 183 HG12 ILE 25 HG12 ILE 25 -5.566 -5.129 0.388 184 HG13 ILE 25 HG13 ILE 25 -5.588 -6.683 -0.435 185 HG21 ILE 25 HG21 ILE 25 -6.763 -3.192 -2.694 186 HG22 ILE 25 HG22 ILE 25 -5.087 -3.398 -2.198 187 HG23 ILE 25 HG23 ILE 25 -6.309 -2.970 -0.999 188 HD11 ILE 25 HD11 ILE 25 -3.321 -5.919 -0.083 189 HD12 ILE 25 HD12 ILE 25 -3.646 -4.427 -0.966 190 HD13 ILE 25 HD13 ILE 25 -3.678 -5.979 -1.809 191 HA PRO 26 HA PRO 26 -9.747 -3.492 -4.635 192 HB2 PRO 26 HB2 PRO 26 -10.723 -5.386 -6.375 193 HB3 PRO 26 HB3 PRO 26 -9.035 -4.856 -6.389 194 HG2 PRO 26 HG2 PRO 26 -10.243 -7.279 -5.047 195 HG3 PRO 26 HG3 PRO 26 -8.801 -7.185 -6.085 196 HD2 PRO 26 HD2 PRO 26 -8.562 -7.240 -3.404 197 HD3 PRO 26 HD3 PRO 26 -7.483 -6.227 -4.391 198 H GLU 27 H GLU 27 -11.207 -6.150 -2.875 199 HA GLU 27 HA GLU 27 -13.980 -5.552 -3.484 200 HB2 GLU 27 HB2 GLU 27 -12.777 -7.173 -1.190 201 HB3 GLU 27 HB3 GLU 27 -14.478 -7.167 -1.670 202 HG2 GLU 27 HG2 GLU 27 -13.759 -8.125 -3.897 203 HG3 GLU 27 HG3 GLU 27 -12.132 -8.287 -3.230 204 H LEU 28 H LEU 28 -11.819 -5.203 -0.748 205 HA LEU 28 HA LEU 28 -13.260 -3.631 1.036 206 HB2 LEU 28 HB2 LEU 28 -11.162 -4.816 1.526 207 HB3 LEU 28 HB3 LEU 28 -10.294 -3.783 0.406 208 HG LEU 28 HG LEU 28 -10.743 -1.838 1.909 209 HD11 LEU 28 HD11 LEU 28 -12.750 -2.636 3.052 210 HD12 LEU 28 HD12 LEU 28 -11.494 -2.208 4.209 211 HD13 LEU 28 HD13 LEU 28 -11.814 -3.908 3.849 212 HD21 LEU 28 HD21 LEU 28 -9.261 -4.156 3.172 213 HD22 LEU 28 HD22 LEU 28 -9.041 -2.445 3.567 214 HD23 LEU 28 HD23 LEU 28 -8.619 -3.042 1.959 215 H ALA 29 H ALA 29 -11.230 -2.679 -1.724 216 HA ALA 29 HA ALA 29 -11.235 0.115 -1.489 217 HB1 ALA 29 HB1 ALA 29 -11.181 -1.541 -4.037 218 HB2 ALA 29 HB2 ALA 29 -9.781 -1.126 -3.047 219 HB3 ALA 29 HB3 ALA 29 -10.671 0.145 -3.885 220 H ARG 30 H ARG 30 -13.552 -2.044 -3.080 221 HA ARG 30 HA ARG 30 -15.328 -0.087 -4.132 222 HB2 ARG 30 HB2 ARG 30 -15.752 -3.008 -3.389 223 HB3 ARG 30 HB3 ARG 30 -16.954 -2.039 -4.238 224 HG2 ARG 30 HG2 ARG 30 -15.520 -1.799 -6.156 225 HG3 ARG 30 HG3 ARG 30 -14.159 -2.531 -5.302 226 HD2 ARG 30 HD2 ARG 30 -15.242 -4.084 -6.906 227 HD3 ARG 30 HD3 ARG 30 -15.281 -4.683 -5.245 228 HE ARG 30 HE ARG 30 -17.678 -3.337 -5.690 229 HH11 ARG 30 HH11 ARG 30 -16.116 -6.162 -6.955 230 HH12 ARG 30 HH12 ARG 30 -17.615 -6.951 -7.283 231 HH21 ARG 30 HH21 ARG 30 -19.562 -4.383 -6.103 232 HH22 ARG 30 HH22 ARG 30 -19.537 -5.954 -6.813 233 H LYS 31 H LYS 31 -15.206 -1.777 -0.997 234 HA LYS 31 HA LYS 31 -17.703 -0.989 0.079 235 HB2 LYS 31 HB2 LYS 31 -15.105 -1.494 1.603 236 HB3 LYS 31 HB3 LYS 31 -16.725 -1.520 2.294 237 HG2 LYS 31 HG2 LYS 31 -15.617 -3.462 0.238 238 HG3 LYS 31 HG3 LYS 31 -15.855 -3.791 1.955 239 HD2 LYS 31 HD2 LYS 31 -18.083 -3.153 -0.032 240 HD3 LYS 31 HD3 LYS 31 -17.633 -4.774 0.495 241 HE2 LYS 31 HE2 LYS 31 -18.262 -4.219 2.807 242 HE3 LYS 31 HE3 LYS 31 -18.658 -2.570 2.320 243 HZ1 LYS 31 HZ1 LYS 31 -20.600 -4.015 2.512 244 HZ2 LYS 31 HZ2 LYS 31 -19.994 -5.005 1.285 245 HZ3 LYS 31 HZ3 LYS 31 -20.419 -3.402 0.950 246 H VAL 32 H VAL 32 -14.606 0.656 -0.053 247 HA VAL 32 HA VAL 32 -15.627 2.973 1.478 248 HB VAL 32 HB VAL 32 -13.240 3.617 1.744 249 HG11 VAL 32 HG11 VAL 32 -13.832 0.759 2.633 250 HG12 VAL 32 HG12 VAL 32 -14.325 2.230 3.478 251 HG13 VAL 32 HG13 VAL 32 -12.614 1.830 3.336 252 HG21 VAL 32 HG21 VAL 32 -11.436 2.046 1.083 253 HG22 VAL 32 HG22 VAL 32 -12.328 2.624 -0.322 254 HG23 VAL 32 HG23 VAL 32 -12.626 1.003 0.302 255 H ASN 33 H ASN 33 -15.558 2.107 -1.668 256 HA ASN 33 HA ASN 33 -15.760 3.136 -3.655 257 HB2 ASN 33 HB2 ASN 33 -16.210 5.594 -1.924 258 HB3 ASN 33 HB3 ASN 33 -16.448 5.585 -3.671 259 HD21 ASN 33 HD21 ASN 33 -18.413 6.080 -1.577 260 HD22 ASN 33 HD22 ASN 33 -19.648 4.892 -1.784 261 H LEU 34 H LEU 34 -13.015 3.090 -2.306 262 HA LEU 34 HA LEU 34 -11.618 5.184 -3.861 263 HB2 LEU 34 HB2 LEU 34 -10.385 3.210 -1.894 264 HB3 LEU 34 HB3 LEU 34 -9.654 4.671 -2.545 265 HG LEU 34 HG LEU 34 -11.985 4.567 -0.590 266 HD11 LEU 34 HD11 LEU 34 -10.420 5.473 1.057 267 HD12 LEU 34 HD12 LEU 34 -9.106 5.385 -0.119 268 HD13 LEU 34 HD13 LEU 34 -9.887 3.905 0.450 269 HD21 LEU 34 HD21 LEU 34 -11.752 7.024 -0.421 270 HD22 LEU 34 HD22 LEU 34 -12.225 6.513 -2.037 271 HD23 LEU 34 HD23 LEU 34 -10.558 6.999 -1.722 272 H SER 35 H SER 35 -9.600 4.468 -5.046 273 HA SER 35 HA SER 35 -9.954 2.121 -6.670 274 HB2 SER 35 HB2 SER 35 -8.855 4.114 -7.602 275 HB3 SER 35 HB3 SER 35 -7.560 3.995 -6.409 276 HG SER 35 HG SER 35 -7.054 3.096 -8.510 277 H VAL 36 H VAL 36 -8.443 0.356 -6.861 278 HA VAL 36 HA VAL 36 -7.886 -1.082 -4.529 279 HB VAL 36 HB VAL 36 -6.452 -1.446 -7.200 280 HG11 VAL 36 HG11 VAL 36 -5.483 -2.806 -5.389 281 HG12 VAL 36 HG12 VAL 36 -6.289 -3.834 -6.572 282 HG13 VAL 36 HG13 VAL 36 -7.072 -3.492 -5.026 283 HG21 VAL 36 HG21 VAL 36 -8.294 -2.957 -7.874 284 HG22 VAL 36 HG22 VAL 36 -8.866 -1.307 -7.621 285 HG23 VAL 36 HG23 VAL 36 -9.176 -2.543 -6.401 286 H GLU 37 H GLU 37 -5.700 0.813 -6.574 287 HA GLU 37 HA GLU 37 -3.261 0.388 -5.216 288 HB2 GLU 37 HB2 GLU 37 -4.070 2.838 -6.836 289 HB3 GLU 37 HB3 GLU 37 -2.422 2.309 -6.490 290 HG2 GLU 37 HG2 GLU 37 -2.847 0.237 -7.798 291 HG3 GLU 37 HG3 GLU 37 -4.462 0.832 -8.185 292 H SER 38 H SER 38 -5.759 2.866 -4.781 293 HA SER 38 HA SER 38 -4.406 4.491 -2.859 294 HB2 SER 38 HB2 SER 38 -7.381 4.226 -3.453 295 HB3 SER 38 HB3 SER 38 -6.656 5.507 -2.477 296 HG SER 38 HG SER 38 -5.642 5.103 -5.051 297 H THR 39 H THR 39 -6.537 1.698 -2.627 298 HA THR 39 HA THR 39 -6.949 1.828 0.220 299 HB THR 39 HB THR 39 -7.529 -0.364 -1.807 300 HG1 THR 39 HG1 THR 39 -9.676 0.843 -0.697 301 HG21 THR 39 HG21 THR 39 -7.367 -1.387 0.442 302 HG22 THR 39 HG22 THR 39 -9.041 -1.349 -0.115 303 HG23 THR 39 HG23 THR 39 -8.486 -0.176 1.082 304 H ALA 40 H ALA 40 -4.942 -0.300 -1.899 305 HA ALA 40 HA ALA 40 -3.742 -1.912 0.079 306 HB1 ALA 40 HB1 ALA 40 -2.558 -1.037 -2.582 307 HB2 ALA 40 HB2 ALA 40 -3.630 -2.415 -2.339 308 HB3 ALA 40 HB3 ALA 40 -2.021 -2.417 -1.616 309 H LEU 41 H LEU 41 -2.825 1.232 -1.193 310 HA LEU 41 HA LEU 41 -0.394 1.674 0.186 311 HB2 LEU 41 HB2 LEU 41 -1.679 2.958 -1.766 312 HB3 LEU 41 HB3 LEU 41 -2.331 3.898 -0.446 313 HG LEU 41 HG LEU 41 0.549 3.727 -1.391 314 HD11 LEU 41 HD11 LEU 41 0.262 6.148 -1.735 315 HD12 LEU 41 HD12 LEU 41 -1.413 6.019 -1.180 316 HD13 LEU 41 HD13 LEU 41 -0.902 5.190 -2.653 317 HD21 LEU 41 HD21 LEU 41 -0.396 5.142 1.133 318 HD22 LEU 41 HD22 LEU 41 1.214 5.255 0.415 319 HD23 LEU 41 HD23 LEU 41 0.651 3.721 1.063 320 H ALA 42 H ALA 42 -3.751 2.622 0.958 321 HA ALA 42 HA ALA 42 -3.312 3.868 3.453 322 HB1 ALA 42 HB1 ALA 42 -5.744 3.649 3.764 323 HB2 ALA 42 HB2 ALA 42 -5.820 2.486 2.436 324 HB3 ALA 42 HB3 ALA 42 -5.363 4.160 2.120 325 H VAL 43 H VAL 43 -3.760 0.482 2.587 326 HA VAL 43 HA VAL 43 -4.001 -0.601 5.228 327 HB VAL 43 HB VAL 43 -3.077 -1.873 2.613 328 HG11 VAL 43 HG11 VAL 43 -3.322 -4.086 3.693 329 HG12 VAL 43 HG12 VAL 43 -3.609 -3.302 5.246 330 HG13 VAL 43 HG13 VAL 43 -2.043 -3.137 4.450 331 HG21 VAL 43 HG21 VAL 43 -5.460 -1.217 2.651 332 HG22 VAL 43 HG22 VAL 43 -5.707 -2.145 4.130 333 HG23 VAL 43 HG23 VAL 43 -5.296 -2.974 2.627 334 H GLY 44 H GLY 44 -1.216 0.133 3.143 335 HA2 GLY 44 HA2 GLY 44 0.873 -0.782 4.810 336 HA3 GLY 44 HA3 GLY 44 0.999 0.499 3.615 337 H TRP 45 H TRP 45 -0.986 2.255 4.884 338 HA TRP 45 HA TRP 45 0.557 3.546 6.926 339 HB2 TRP 45 HB2 TRP 45 -0.979 4.835 5.469 340 HB3 TRP 45 HB3 TRP 45 -2.363 3.994 6.164 341 HD1 TRP 45 HD1 TRP 45 -3.226 4.851 8.572 342 HE1 TRP 45 HE1 TRP 45 -2.637 6.883 10.024 343 HE3 TRP 45 HE3 TRP 45 1.020 6.356 6.173 344 HZ2 TRP 45 HZ2 TRP 45 -0.656 8.874 10.143 345 HZ3 TRP 45 HZ3 TRP 45 2.210 8.334 7.022 346 HH2 TRP 45 HH2 TRP 45 1.391 9.571 8.968 347 H LEU 46 H LEU 46 -2.288 1.403 6.993 348 HA LEU 46 HA LEU 46 -2.650 1.409 9.822 349 HB2 LEU 46 HB2 LEU 46 -3.391 -0.677 7.742 350 HB3 LEU 46 HB3 LEU 46 -3.928 -0.718 9.417 351 HG LEU 46 HG LEU 46 -4.622 1.457 7.405 352 HD11 LEU 46 HD11 LEU 46 -5.715 -0.644 6.839 353 HD12 LEU 46 HD12 LEU 46 -6.890 0.521 7.446 354 HD13 LEU 46 HD13 LEU 46 -6.341 -0.796 8.486 355 HD21 LEU 46 HD21 LEU 46 -5.604 1.061 10.254 356 HD22 LEU 46 HD22 LEU 46 -6.185 2.282 9.118 357 HD23 LEU 46 HD23 LEU 46 -4.521 2.339 9.692 358 H ALA 47 H ALA 47 -0.616 -0.565 7.659 359 HA ALA 47 HA ALA 47 0.524 -2.288 9.584 360 HB1 ALA 47 HB1 ALA 47 2.316 -2.649 7.924 361 HB2 ALA 47 HB2 ALA 47 1.759 -1.243 7.010 362 HB3 ALA 47 HB3 ALA 47 0.726 -2.665 7.158 363 H ARG 48 H ARG 48 1.361 1.069 8.662 364 HA ARG 48 HA ARG 48 3.622 1.434 10.330 365 HB2 ARG 48 HB2 ARG 48 3.049 3.112 8.673 366 HB3 ARG 48 HB3 ARG 48 1.463 3.366 9.384 367 HG2 ARG 48 HG2 ARG 48 2.531 4.358 11.396 368 HG3 ARG 48 HG3 ARG 48 4.114 4.111 10.655 369 HD2 ARG 48 HD2 ARG 48 3.427 5.618 8.785 370 HD3 ARG 48 HD3 ARG 48 1.900 5.916 9.625 371 HE ARG 48 HE ARG 48 3.489 6.705 11.514 372 HH11 ARG 48 HH11 ARG 48 4.066 7.249 8.143 373 HH12 ARG 48 HH12 ARG 48 4.956 8.696 8.428 374 HH21 ARG 48 HH21 ARG 48 4.607 8.561 11.842 375 HH22 ARG 48 HH22 ARG 48 5.245 9.439 10.500 376 H GLU 49 H GLU 49 0.154 1.987 10.942 377 HA GLU 49 HA GLU 49 0.472 2.680 13.732 378 HB2 GLU 49 HB2 GLU 49 -2.060 2.121 12.126 379 HB3 GLU 49 HB3 GLU 49 -2.003 2.854 13.731 380 HG2 GLU 49 HG2 GLU 49 -0.710 4.764 12.761 381 HG3 GLU 49 HG3 GLU 49 -0.904 4.048 11.163 382 H ASN 50 H ASN 50 0.540 -0.238 12.161 383 HA ASN 50 HA ASN 50 0.586 -2.410 12.759 384 HB2 ASN 50 HB2 ASN 50 0.440 -1.476 15.654 385 HB3 ASN 50 HB3 ASN 50 1.068 -3.018 15.063 386 HD21 ASN 50 HD21 ASN 50 1.729 0.362 15.495 387 HD22 ASN 50 HD22 ASN 50 3.390 0.311 15.028 388 H LYS 51 H LYS 51 -2.010 -0.956 12.471 389 HA LYS 51 HA LYS 51 -3.978 -2.285 14.088 390 HB2 LYS 51 HB2 LYS 51 -4.169 -0.491 11.644 391 HB3 LYS 51 HB3 LYS 51 -5.584 -1.166 12.445 392 HG2 LYS 51 HG2 LYS 51 -4.879 0.010 14.551 393 HG3 LYS 51 HG3 LYS 51 -3.585 0.787 13.626 394 HD2 LYS 51 HD2 LYS 51 -5.222 1.879 12.170 395 HD3 LYS 51 HD3 LYS 51 -6.550 1.008 12.942 396 HE2 LYS 51 HE2 LYS 51 -6.473 3.301 13.757 397 HE3 LYS 51 HE3 LYS 51 -6.058 2.192 15.065 398 HZ1 LYS 51 HZ1 LYS 51 -4.602 4.127 15.007 399 HZ2 LYS 51 HZ2 LYS 51 -4.111 3.736 13.434 400 HZ3 LYS 51 HZ3 LYS 51 -3.729 2.702 14.724 401 H VAL 52 H VAL 52 -2.320 -3.169 11.168 402 HA VAL 52 HA VAL 52 -4.275 -5.339 10.667 403 HB VAL 52 HB VAL 52 -3.942 -5.162 8.211 404 HG11 VAL 52 HG11 VAL 52 -5.383 -3.199 7.811 405 HG12 VAL 52 HG12 VAL 52 -5.068 -2.628 9.451 406 HG13 VAL 52 HG13 VAL 52 -5.936 -4.145 9.196 407 HG21 VAL 52 HG21 VAL 52 -2.463 -2.571 8.813 408 HG22 VAL 52 HG22 VAL 52 -2.929 -3.132 7.205 409 HG23 VAL 52 HG23 VAL 52 -1.755 -4.047 8.150 410 H VAL 53 H VAL 53 -3.483 -7.219 9.642 411 HA VAL 53 HA VAL 53 -0.557 -7.565 9.369 412 HB VAL 53 HB VAL 53 -0.901 -9.999 10.144 413 HG11 VAL 53 HG11 VAL 53 -1.338 -7.804 12.222 414 HG12 VAL 53 HG12 VAL 53 0.225 -8.307 11.571 415 HG13 VAL 53 HG13 VAL 53 -0.718 -9.427 12.553 416 HG21 VAL 53 HG21 VAL 53 -3.517 -8.896 11.236 417 HG22 VAL 53 HG22 VAL 53 -2.823 -10.469 11.641 418 HG23 VAL 53 HG23 VAL 53 -3.348 -10.135 9.991 419 H ILE 54 H ILE 54 0.006 -8.196 7.367 420 HA ILE 54 HA ILE 54 -2.112 -8.865 5.414 421 HB ILE 54 HB ILE 54 0.719 -7.791 4.981 422 HG12 ILE 54 HG12 ILE 54 -0.607 -5.791 3.978 423 HG13 ILE 54 HG13 ILE 54 -2.024 -6.475 4.757 424 HG21 ILE 54 HG21 ILE 54 0.184 -9.269 3.114 425 HG22 ILE 54 HG22 ILE 54 0.150 -7.593 2.568 426 HG23 ILE 54 HG23 ILE 54 -1.363 -8.453 2.864 427 HD11 ILE 54 HD11 ILE 54 0.472 -5.499 6.147 428 HD12 ILE 54 HD12 ILE 54 -0.956 -6.171 6.940 429 HD13 ILE 54 HD13 ILE 54 -1.076 -4.660 6.043 430 H GLU 55 H GLU 55 -2.351 -11.039 5.053 431 HA GLU 55 HA GLU 55 0.030 -12.815 5.246 432 HB2 GLU 55 HB2 GLU 55 -2.845 -13.361 6.095 433 HB3 GLU 55 HB3 GLU 55 -1.556 -14.563 6.111 434 HG2 GLU 55 HG2 GLU 55 -0.360 -13.361 7.833 435 HG3 GLU 55 HG3 GLU 55 -1.450 -11.978 7.699 436 H ARG 56 H ARG 56 0.375 -14.275 3.649 437 HA ARG 56 HA ARG 56 -1.226 -14.175 1.196 438 HB2 ARG 56 HB2 ARG 56 1.425 -15.529 1.845 439 HB3 ARG 56 HB3 ARG 56 0.662 -15.568 0.257 440 HG2 ARG 56 HG2 ARG 56 0.947 -13.157 0.012 441 HG3 ARG 56 HG3 ARG 56 1.571 -13.030 1.663 442 HD2 ARG 56 HD2 ARG 56 3.500 -14.447 1.051 443 HD3 ARG 56 HD3 ARG 56 2.886 -14.579 -0.603 444 HE ARG 56 HE ARG 56 3.111 -11.925 -0.339 445 HH11 ARG 56 HH11 ARG 56 5.363 -14.366 0.578 446 HH12 ARG 56 HH12 ARG 56 6.736 -13.407 0.158 447 HH21 ARG 56 HH21 ARG 56 4.880 -10.711 -0.880 448 HH22 ARG 56 HH22 ARG 56 6.468 -11.359 -0.653 449 H LYS 57 H LYS 57 -3.042 -15.415 1.449 450 HA LYS 57 HA LYS 57 -2.782 -18.223 2.346 451 HB2 LYS 57 HB2 LYS 57 -4.948 -16.167 2.610 452 HB3 LYS 57 HB3 LYS 57 -5.490 -17.809 2.306 453 HG2 LYS 57 HG2 LYS 57 -5.424 -17.231 4.720 454 HG3 LYS 57 HG3 LYS 57 -4.429 -18.625 4.303 455 HD2 LYS 57 HD2 LYS 57 -2.414 -17.081 4.312 456 HD3 LYS 57 HD3 LYS 57 -3.465 -15.799 4.926 457 HE2 LYS 57 HE2 LYS 57 -3.935 -17.125 6.934 458 HE3 LYS 57 HE3 LYS 57 -2.988 -18.472 6.300 459 HZ1 LYS 57 HZ1 LYS 57 -1.034 -16.992 6.346 460 HZ2 LYS 57 HZ2 LYS 57 -1.699 -17.264 7.878 461 HZ3 LYS 57 HZ3 LYS 57 -1.977 -15.800 7.090 462 H ASN 58 H ASN 58 -2.822 -19.757 0.852 463 HA ASN 58 HA ASN 58 -2.876 -20.876 -1.110 464 HB2 ASN 58 HB2 ASN 58 -5.452 -19.315 -1.551 465 HB3 ASN 58 HB3 ASN 58 -5.000 -20.802 -2.385 466 HD21 ASN 58 HD21 ASN 58 -7.309 -20.205 -0.645 467 HD22 ASN 58 HD22 ASN 58 -7.257 -21.390 0.607 468 H GLY 59 H GLY 59 -1.361 -18.462 -1.084 469 HA2 GLY 59 HA2 GLY 59 0.015 -17.393 -2.645 470 HA3 GLY 59 HA3 GLY 59 -1.061 -17.888 -3.937 471 H LEU 60 H LEU 60 -3.342 -16.672 -2.187 472 HA LEU 60 HA LEU 60 -3.312 -14.074 -3.499 473 HB2 LEU 60 HB2 LEU 60 -5.428 -15.587 -1.913 474 HB3 LEU 60 HB3 LEU 60 -5.669 -13.926 -2.423 475 HG LEU 60 HG LEU 60 -5.389 -14.681 -4.824 476 HD11 LEU 60 HD11 LEU 60 -5.631 -17.046 -5.392 477 HD12 LEU 60 HD12 LEU 60 -5.538 -17.481 -3.683 478 HD13 LEU 60 HD13 LEU 60 -4.148 -16.747 -4.486 479 HD21 LEU 60 HD21 LEU 60 -7.603 -14.268 -3.863 480 HD22 LEU 60 HD22 LEU 60 -7.695 -15.940 -3.301 481 HD23 LEU 60 HD23 LEU 60 -7.658 -15.587 -5.032 482 H ILE 61 H ILE 61 -3.147 -12.097 -2.535 483 HA ILE 61 HA ILE 61 -2.232 -11.877 0.223 484 HB ILE 61 HB ILE 61 -2.657 -9.694 -1.886 485 HG12 ILE 61 HG12 ILE 61 -0.023 -9.635 -1.751 486 HG13 ILE 61 HG13 ILE 61 -0.169 -11.241 -1.055 487 HG21 ILE 61 HG21 ILE 61 -1.358 -8.203 -0.378 488 HG22 ILE 61 HG22 ILE 61 -1.358 -9.466 0.852 489 HG23 ILE 61 HG23 ILE 61 -2.879 -8.731 0.345 490 HD11 ILE 61 HD11 ILE 61 -1.094 -10.384 -3.798 491 HD12 ILE 61 HD12 ILE 61 -1.272 -12.005 -3.116 492 HD13 ILE 61 HD13 ILE 61 0.336 -11.344 -3.412 493 H GLU 62 H GLU 62 -3.715 -11.796 1.815 494 HA GLU 62 HA GLU 62 -6.215 -10.215 1.484 495 HB2 GLU 62 HB2 GLU 62 -5.860 -12.722 3.204 496 HB3 GLU 62 HB3 GLU 62 -7.321 -11.738 3.110 497 HG2 GLU 62 HG2 GLU 62 -7.492 -12.322 0.688 498 HG3 GLU 62 HG3 GLU 62 -6.111 -13.399 0.885 499 H ILE 63 H ILE 63 -6.644 -8.750 3.138 500 HA ILE 63 HA ILE 63 -4.481 -8.388 5.116 501 HB ILE 63 HB ILE 63 -4.969 -6.033 5.256 502 HG12 ILE 63 HG12 ILE 63 -7.490 -6.141 4.890 503 HG13 ILE 63 HG13 ILE 63 -6.683 -4.824 4.055 504 HG21 ILE 63 HG21 ILE 63 -3.454 -6.736 3.487 505 HG22 ILE 63 HG22 ILE 63 -4.369 -5.328 2.950 506 HG23 ILE 63 HG23 ILE 63 -4.797 -6.936 2.356 507 HD11 ILE 63 HD11 ILE 63 -8.440 -5.893 2.731 508 HD12 ILE 63 HD12 ILE 63 -7.545 -7.412 2.781 509 HD13 ILE 63 HD13 ILE 63 -6.859 -6.008 1.959 510 H TYR 64 H TYR 64 -4.842 -8.677 7.124 511 HA TYR 64 HA TYR 64 -7.554 -9.107 8.245 512 HB2 TYR 64 HB2 TYR 64 -4.833 -10.198 9.111 513 HB3 TYR 64 HB3 TYR 64 -6.349 -10.563 9.912 514 HD1 TYR 64 HD1 TYR 64 -4.275 -11.193 6.925 515 HD2 TYR 64 HD2 TYR 64 -7.962 -12.134 8.873 516 HE1 TYR 64 HE1 TYR 64 -4.585 -13.095 5.408 517 HE2 TYR 64 HE2 TYR 64 -8.269 -14.045 7.353 518 HH TYR 64 HH TYR 64 -7.331 -14.549 4.808 519 H ASN 65 H ASN 65 -7.616 -8.589 10.696 520 HA ASN 65 HA ASN 65 -6.330 -5.995 11.238 521 HB2 ASN 65 HB2 ASN 65 -8.529 -7.524 12.676 522 HB3 ASN 65 HB3 ASN 65 -7.893 -5.979 13.241 523 HD21 ASN 65 HD21 ASN 65 -10.591 -6.758 12.309 524 HD22 ASN 65 HD22 ASN 65 -10.965 -5.649 11.051 525 H GLU 66 H GLU 66 -5.490 -5.560 13.412 526 HA GLU 66 HA GLU 66 -3.546 -7.298 14.465 527 HB2 GLU 66 HB2 GLU 66 -3.454 -5.685 16.362 528 HB3 GLU 66 HB3 GLU 66 -3.498 -4.866 14.804 529 HG2 GLU 66 HG2 GLU 66 -5.928 -4.447 15.108 530 HG3 GLU 66 HG3 GLU 66 -5.847 -5.210 16.694 531 H GLY 67 H GLY 67 -6.971 -7.154 15.045 532 HA2 GLY 67 HA2 GLY 67 -7.110 -8.674 17.464 533 HA3 GLY 67 HA3 GLY 67 -8.415 -8.387 16.324 534 H HIS 68 H HIS 68 -6.040 -9.681 14.434 535 HA HIS 68 HA HIS 68 -7.083 -12.303 14.162 536 HB2 HIS 68 HB2 HIS 68 -5.718 -10.972 12.456 537 HB3 HIS 68 HB3 HIS 68 -4.279 -11.371 13.382 538 HD1 HIS 68 HD1 HIS 68 -6.947 -12.950 11.244 539 HD2 HIS 68 HD2 HIS 68 -3.229 -13.893 12.830 540 HE1 HIS 68 HE1 HIS 68 -6.247 -15.066 10.098 541 HE2 HIS 68 HE2 HIS 68 -3.890 -15.440 10.869 542 H PHE 69 H PHE 69 -4.483 -10.978 16.120 543 HA PHE 69 HA PHE 69 -4.092 -13.574 17.500 544 HB2 PHE 69 HB2 PHE 69 -1.934 -12.610 18.330 545 HB3 PHE 69 HB3 PHE 69 -1.994 -12.756 16.583 546 HD1 PHE 69 HD1 PHE 69 -2.015 -10.335 19.408 547 HD2 PHE 69 HD2 PHE 69 -1.857 -10.787 15.149 548 HE1 PHE 69 HE1 PHE 69 -1.346 -7.978 19.176 549 HE2 PHE 69 HE2 PHE 69 -1.194 -8.427 14.932 550 HZ PHE 69 HZ PHE 69 -0.939 -7.021 16.942 551 H ASP 70 H ASP 70 -3.481 -13.199 19.930 552 HA ASP 70 HA ASP 70 -5.682 -11.855 21.228 553 HB2 ASP 70 HB2 ASP 70 -3.225 -13.186 22.467 554 HB3 ASP 70 HB3 ASP 70 -4.683 -12.711 23.334 555 H PHE 71 H PHE 71 -5.451 -9.645 20.753 556 HA PHE 71 HA PHE 71 -3.038 -8.167 21.328 557 HB2 PHE 71 HB2 PHE 71 -4.568 -7.465 19.514 558 HB3 PHE 71 HB3 PHE 71 -5.856 -7.179 20.682 559 HD1 PHE 71 HD2 PHE 71 -2.328 -6.120 19.927 560 HD2 PHE 71 HD1 PHE 71 -6.129 -4.979 21.532 561 HE1 PHE 71 HE2 PHE 71 -1.517 -3.819 20.231 562 HE2 PHE 71 HE1 PHE 71 -5.302 -2.678 21.834 563 HZ PHE 71 HZ PHE 71 -2.998 -2.100 21.181 564 H SER 72 H SER 72 -6.248 -8.459 22.878 565 HA SER 72 HA SER 72 -5.751 -6.729 25.103 566 HB2 SER 72 HB2 SER 72 -8.048 -7.242 24.372 567 HB3 SER 72 HB3 SER 72 -7.828 -8.944 24.772 568 HG SER 72 HG SER 72 -8.769 -7.108 26.338 569 H PHE 73 H PHE 73 -5.810 -7.477 27.412 570 HA PHE 73 HA PHE 73 -3.802 -9.565 27.870 571 HB2 PHE 73 HB2 PHE 73 -5.038 -7.532 29.785 572 HB3 PHE 73 HB3 PHE 73 -3.702 -8.611 30.175 573 HD1 PHE 73 HD1 PHE 73 -1.552 -8.410 28.721 574 HD2 PHE 73 HD2 PHE 73 -4.571 -5.382 28.868 575 HE1 PHE 73 HE1 PHE 73 0.053 -6.756 27.866 576 HE2 PHE 73 HE2 PHE 73 -2.957 -3.736 28.010 577 HZ PHE 73 HZ PHE 73 -0.644 -4.422 27.507 578 H GLY 74 H GLY 74 -7.236 -9.231 28.085 579 HA2 GLY 74 HA2 GLY 74 -8.882 -10.768 28.597 580 HA3 GLY 74 HA3 GLY 74 -7.626 -11.970 28.844 581 H LEU 75 H LEU 75 -8.520 -8.928 30.498 582 HA LEU 75 HA LEU 75 -7.765 -10.023 33.090 583 HB2 LEU 75 HB2 LEU 75 -8.785 -7.255 32.351 584 HB3 LEU 75 HB3 LEU 75 -8.045 -7.706 33.884 585 HG LEU 75 HG LEU 75 -6.632 -7.712 31.186 586 HD11 LEU 75 HD11 LEU 75 -6.359 -5.732 33.466 587 HD12 LEU 75 HD12 LEU 75 -7.150 -5.440 31.914 588 HD13 LEU 75 HD13 LEU 75 -5.418 -5.749 31.968 589 HD21 LEU 75 HD21 LEU 75 -5.484 -8.196 33.957 590 HD22 LEU 75 HD22 LEU 75 -4.559 -8.079 32.455 591 HD23 LEU 75 HD23 LEU 75 -5.697 -9.404 32.686 592 H GLU 76 H GLU 76 -10.722 -9.790 31.379 593 HA GLU 76 HA GLU 76 -12.522 -9.311 33.579 594 HB2 GLU 76 HB2 GLU 76 -13.157 -8.807 31.239 595 HB3 GLU 76 HB3 GLU 76 -13.054 -10.513 30.826 596 HG2 GLU 76 HG2 GLU 76 -14.934 -10.986 32.377 597 HG3 GLU 76 HG3 GLU 76 -15.041 -9.270 32.760 598 H HIS 77 H HIS 77 -12.658 -10.740 35.225 599 HA HIS 77 HA HIS 77 -12.872 -13.660 34.664 600 HB2 HIS 77 HB2 HIS 77 -11.968 -12.240 37.217 601 HB3 HIS 77 HB3 HIS 77 -12.174 -13.984 37.056 602 HD1 HIS 77 HD1 HIS 77 -9.942 -11.163 35.993 603 HD2 HIS 77 HD2 HIS 77 -10.101 -15.302 35.695 604 HE1 HIS 77 HE1 HIS 77 -7.703 -11.853 35.123 605 HE2 HIS 77 HE2 HIS 77 -7.891 -14.332 34.763 606 H HIS 78 H HIS 78 -14.877 -14.475 34.889 607 HA HIS 78 HA HIS 78 -17.018 -12.861 36.032 608 HB2 HIS 78 HB2 HIS 78 -17.040 -15.508 34.525 609 HB3 HIS 78 HB3 HIS 78 -18.497 -14.748 35.167 610 HD1 HIS 78 HD1 HIS 78 -19.190 -12.451 34.117 611 HD2 HIS 78 HD2 HIS 78 -16.113 -14.399 32.126 612 HE1 HIS 78 HE1 HIS 78 -19.022 -11.321 31.895 613 HE2 HIS 78 HE2 HIS 78 -17.060 -12.414 30.765 614 H HIS 79 H HIS 79 -17.408 -12.916 38.108 615 HA HIS 79 HA HIS 79 -17.752 -15.447 39.534 616 HB2 HIS 79 HB2 HIS 79 -16.471 -14.515 41.544 617 HB3 HIS 79 HB3 HIS 79 -15.477 -14.972 40.164 618 HD1 HIS 79 HD1 HIS 79 -16.778 -11.889 41.955 619 HD2 HIS 79 HD2 HIS 79 -13.941 -12.915 39.095 620 HE1 HIS 79 HE1 HIS 79 -15.400 -9.820 41.601 621 HE2 HIS 79 HE2 HIS 79 -13.635 -10.490 39.946 622 H HIS 80 H HIS 80 -19.622 -15.383 40.661 623 HA HIS 80 HA HIS 80 -21.209 -12.960 40.789 624 HB2 HIS 80 HB2 HIS 80 -21.812 -15.728 41.924 625 HB3 HIS 80 HB3 HIS 80 -22.972 -14.416 41.731 626 HD1 HIS 80 HD1 HIS 80 -22.645 -17.409 40.278 627 HD2 HIS 80 HD2 HIS 80 -22.369 -13.621 38.599 628 HE1 HIS 80 HE1 HIS 80 -23.088 -17.730 37.833 629 HE2 HIS 80 HE2 HIS 80 -22.731 -15.462 36.819 630 H HIS 81 H HIS 81 -19.249 -14.810 43.025 631 HA HIS 81 HA HIS 81 -19.717 -12.870 45.213 632 HB2 HIS 81 HB2 HIS 81 -18.128 -15.480 45.182 633 HB3 HIS 81 HB3 HIS 81 -18.377 -14.459 46.595 634 HD1 HIS 81 HD1 HIS 81 -20.858 -14.334 47.513 635 HD2 HIS 81 HD2 HIS 81 -20.161 -17.297 44.687 636 HE1 HIS 81 HE1 HIS 81 -22.827 -15.870 47.660 637 HE2 HIS 81 HE2 HIS 81 -22.275 -17.764 46.103 638 H HIS 82 H HIS 82 -18.128 -11.385 45.742 639 HA HIS 82 HA HIS 82 -16.383 -10.453 43.786 640 HB2 HIS 82 HB2 HIS 82 -15.493 -8.913 45.546 641 HB3 HIS 82 HB3 HIS 82 -17.251 -8.990 45.528 642 HD1 HIS 82 HD1 HIS 82 -14.273 -10.103 47.562 643 HD2 HIS 82 HD2 HIS 82 -18.408 -9.843 47.920 644 HE1 HIS 82 HE1 HIS 82 -14.779 -10.674 49.946 645 HE2 HIS 82 HE2 HIS 82 -17.266 -10.420 50.166 646 H1 MET 1 H MET 1 1.613 -12.396 11.556 647 HA MET 1 HA MET 1 2.958 -12.823 8.969 648 HB2 MET 1 HB2 MET 1 0.939 -11.558 8.461 649 HB3 MET 1 HB3 MET 1 1.274 -10.405 9.746 650 HG2 MET 1 HG2 MET 1 1.744 -9.521 7.476 651 HG3 MET 1 HG3 MET 1 3.166 -9.513 8.524 652 HE1 MET 1 HE1 MET 1 4.644 -9.133 6.237 653 HE2 MET 1 HE2 MET 1 3.178 -9.241 5.259 654 HE3 MET 1 HE3 MET 1 4.576 -10.243 4.869 655 H ASP 2 H ASP 2 5.047 -12.073 8.864 656 HA ASP 2 HA ASP 2 6.208 -10.693 11.177 657 HB2 ASP 2 HB2 ASP 2 7.539 -11.861 8.702 658 HB3 ASP 2 HB3 ASP 2 8.401 -11.106 10.039 659 H LYS 3 H LYS 3 6.673 -8.621 11.234 660 HA LYS 3 HA LYS 3 5.877 -6.760 9.224 661 HB2 LYS 3 HB2 LYS 3 5.794 -6.386 11.704 662 HB3 LYS 3 HB3 LYS 3 7.551 -6.323 11.733 663 HG2 LYS 3 HG2 LYS 3 7.463 -4.300 10.265 664 HG3 LYS 3 HG3 LYS 3 5.700 -4.354 10.337 665 HD2 LYS 3 HD2 LYS 3 7.570 -3.968 12.715 666 HD3 LYS 3 HD3 LYS 3 6.639 -2.695 11.922 667 HE2 LYS 3 HE2 LYS 3 4.549 -3.703 12.642 668 HE3 LYS 3 HE3 LYS 3 5.399 -5.111 13.283 669 HZ1 LYS 3 HZ1 LYS 3 6.398 -3.772 14.957 670 HZ2 LYS 3 HZ2 LYS 3 4.732 -3.474 14.981 671 HZ3 LYS 3 HZ3 LYS 3 5.781 -2.350 14.285 672 H LYS 4 H LYS 4 8.924 -8.282 10.005 673 HA LYS 4 HA LYS 4 10.744 -6.506 8.758 674 HB2 LYS 4 HB2 LYS 4 12.325 -8.415 8.833 675 HB3 LYS 4 HB3 LYS 4 11.478 -8.186 10.358 676 HG2 LYS 4 HG2 LYS 4 9.955 -10.058 9.802 677 HG3 LYS 4 HG3 LYS 4 10.806 -10.305 8.275 678 HD2 LYS 4 HD2 LYS 4 12.041 -10.567 11.047 679 HD3 LYS 4 HD3 LYS 4 11.497 -11.919 10.054 680 HE2 LYS 4 HE2 LYS 4 13.193 -11.329 8.338 681 HE3 LYS 4 HE3 LYS 4 13.718 -9.968 9.332 682 HZ1 LYS 4 HZ1 LYS 4 15.142 -11.922 9.542 683 HZ2 LYS 4 HZ2 LYS 4 13.844 -12.814 10.166 684 HZ3 LYS 4 HZ3 LYS 4 14.446 -11.483 11.021 685 H ILE 5 H ILE 5 8.619 -8.922 7.373 686 HA ILE 5 HA ILE 5 9.929 -9.436 4.913 687 HB ILE 5 HB ILE 5 6.943 -9.515 5.541 688 HG12 ILE 5 HG12 ILE 5 8.991 -11.783 5.546 689 HG13 ILE 5 HG13 ILE 5 8.319 -11.022 6.984 690 HG21 ILE 5 HG21 ILE 5 8.406 -10.772 3.186 691 HG22 ILE 5 HG22 ILE 5 7.265 -9.426 3.106 692 HG23 ILE 5 HG23 ILE 5 6.705 -11.027 3.587 693 HD11 ILE 5 HD11 ILE 5 7.272 -13.166 6.556 694 HD12 ILE 5 HD12 ILE 5 6.777 -12.643 4.947 695 HD13 ILE 5 HD13 ILE 5 6.091 -11.870 6.380 696 H VAL 6 H VAL 6 7.267 -7.114 5.643 697 HA VAL 6 HA VAL 6 7.182 -5.924 3.067 698 HB VAL 6 HB VAL 6 5.757 -4.177 4.015 699 HG11 VAL 6 HG11 VAL 6 5.144 -6.877 5.275 700 HG12 VAL 6 HG12 VAL 6 4.748 -6.380 3.625 701 HG13 VAL 6 HG13 VAL 6 3.985 -5.571 4.995 702 HG21 VAL 6 HG21 VAL 6 5.321 -3.984 6.451 703 HG22 VAL 6 HG22 VAL 6 7.014 -3.658 6.078 704 HG23 VAL 6 HG23 VAL 6 6.549 -5.212 6.773 705 H GLY 7 H GLY 7 9.204 -5.284 5.849 706 HA2 GLY 7 HA2 GLY 7 10.352 -2.802 5.091 707 HA3 GLY 7 HA3 GLY 7 11.094 -4.009 6.129 708 H ALA 8 H ALA 8 11.415 -6.152 4.475 709 HA ALA 8 HA ALA 8 13.707 -5.564 2.908 710 HB1 ALA 8 HB1 ALA 8 11.992 -8.072 2.920 711 HB2 ALA 8 HB2 ALA 8 13.346 -7.743 4.001 712 HB3 ALA 8 HB3 ALA 8 13.631 -7.943 2.271 713 H ASN 9 H ASN 9 10.323 -6.234 2.001 714 HA ASN 9 HA ASN 9 10.532 -6.143 -0.813 715 HB2 ASN 9 HB2 ASN 9 8.187 -5.355 0.982 716 HB3 ASN 9 HB3 ASN 9 8.068 -5.589 -0.760 717 HD21 ASN 9 HD21 ASN 9 6.728 -6.990 1.469 718 HD22 ASN 9 HD22 ASN 9 7.095 -8.661 1.251 719 H ALA 10 H ALA 10 10.113 -3.583 1.594 720 HA ALA 10 HA ALA 10 9.589 -1.450 -0.273 721 HB1 ALA 10 HB1 ALA 10 8.637 -1.495 1.996 722 HB2 ALA 10 HB2 ALA 10 9.593 -0.034 1.728 723 HB3 ALA 10 HB3 ALA 10 10.256 -1.364 2.684 724 H GLY 11 H GLY 11 12.454 -2.779 1.266 725 HA2 GLY 11 HA2 GLY 11 14.337 -0.730 0.834 726 HA3 GLY 11 HA3 GLY 11 14.693 -2.451 0.872 727 H LYS 12 H LYS 12 13.236 -3.330 -1.281 728 HA LYS 12 HA LYS 12 14.867 -2.733 -3.544 729 HB2 LYS 12 HB2 LYS 12 13.842 -4.957 -3.077 730 HB3 LYS 12 HB3 LYS 12 12.244 -4.272 -3.354 731 HG2 LYS 12 HG2 LYS 12 12.872 -3.821 -5.715 732 HG3 LYS 12 HG3 LYS 12 14.450 -4.563 -5.423 733 HD2 LYS 12 HD2 LYS 12 11.752 -5.960 -5.175 734 HD3 LYS 12 HD3 LYS 12 12.865 -6.120 -6.535 735 HE2 LYS 12 HE2 LYS 12 13.447 -6.970 -3.675 736 HE3 LYS 12 HE3 LYS 12 13.001 -8.047 -4.997 737 HZ1 LYS 12 HZ1 LYS 12 15.371 -8.053 -4.656 738 HZ2 LYS 12 HZ2 LYS 12 15.454 -6.380 -4.870 739 HZ3 LYS 12 HZ3 LYS 12 15.015 -7.377 -6.161 740 H VAL 13 H VAL 13 11.521 -1.882 -2.638 741 HA VAL 13 HA VAL 13 10.687 -0.554 -4.980 742 HB VAL 13 HB VAL 13 9.785 -0.209 -2.088 743 HG11 VAL 13 HG11 VAL 13 7.724 0.871 -2.969 744 HG12 VAL 13 HG12 VAL 13 8.428 0.875 -4.587 745 HG13 VAL 13 HG13 VAL 13 9.167 1.832 -3.303 746 HG21 VAL 13 HG21 VAL 13 7.864 -1.623 -2.766 747 HG22 VAL 13 HG22 VAL 13 9.396 -2.463 -3.016 748 HG23 VAL 13 HG23 VAL 13 8.539 -1.765 -4.393 749 H TRP 14 H TRP 14 12.212 0.766 -2.039 750 HA TRP 14 HA TRP 14 12.228 3.481 -2.957 751 HB2 TRP 14 HB2 TRP 14 12.366 2.646 -0.482 752 HB3 TRP 14 HB3 TRP 14 14.096 2.498 -0.769 753 HD1 TRP 14 HD1 TRP 14 11.327 5.128 -0.401 754 HE1 TRP 14 HE1 TRP 14 12.389 7.446 -0.144 755 HE3 TRP 14 HE3 TRP 14 16.183 3.891 -1.310 756 HZ2 TRP 14 HZ2 TRP 14 14.951 8.618 -0.295 757 HZ3 TRP 14 HZ3 TRP 14 17.900 5.667 -1.241 758 HH2 TRP 14 HH2 TRP 14 17.288 7.984 -0.744 759 H HIS 15 H HIS 15 14.598 0.837 -3.140 760 HA HIS 15 HA HIS 15 16.823 2.207 -4.163 761 HB2 HIS 15 HB2 HIS 15 17.004 -0.149 -3.585 762 HB3 HIS 15 HB3 HIS 15 15.805 -0.594 -4.795 763 HD1 HIS 15 HD1 HIS 15 19.266 1.014 -4.714 764 HD2 HIS 15 HD2 HIS 15 16.935 -1.432 -7.134 765 HE1 HIS 15 HE1 HIS 15 20.714 0.441 -6.681 766 HE2 HIS 15 HE2 HIS 15 19.223 -0.881 -8.208 767 H ALA 16 H ALA 16 13.891 1.106 -5.854 768 HA ALA 16 HA ALA 16 14.617 1.844 -8.501 769 HB1 ALA 16 HB1 ALA 16 12.211 1.699 -9.001 770 HB2 ALA 16 HB2 ALA 16 11.846 1.674 -7.272 771 HB3 ALA 16 HB3 ALA 16 12.733 0.338 -8.005 772 H LEU 17 H LEU 17 13.229 3.677 -5.823 773 HA LEU 17 HA LEU 17 12.627 6.098 -7.248 774 HB2 LEU 17 HB2 LEU 17 12.984 5.455 -4.303 775 HB3 LEU 17 HB3 LEU 17 12.522 7.050 -4.877 776 HG LEU 17 HG LEU 17 10.900 4.524 -5.359 777 HD11 LEU 17 HD11 LEU 17 10.442 6.744 -3.340 778 HD12 LEU 17 HD12 LEU 17 10.936 5.086 -2.977 779 HD13 LEU 17 HD13 LEU 17 9.349 5.397 -3.675 780 HD21 LEU 17 HD21 LEU 17 10.252 7.447 -5.880 781 HD22 LEU 17 HD22 LEU 17 9.149 6.088 -6.105 782 HD23 LEU 17 HD23 LEU 17 10.591 6.218 -7.102 783 H ASN 18 H ASN 18 15.416 4.910 -5.427 784 HA ASN 18 HA ASN 18 16.873 7.298 -5.095 785 HB2 ASN 18 HB2 ASN 18 17.418 5.246 -3.840 786 HB3 ASN 18 HB3 ASN 18 17.856 4.415 -5.330 787 HD21 ASN 18 HD21 ASN 18 18.793 6.956 -3.093 788 HD22 ASN 18 HD22 ASN 18 20.451 7.016 -3.564 789 H GLU 19 H GLU 19 16.797 4.936 -7.735 790 HA GLU 19 HA GLU 19 18.726 6.297 -9.401 791 HB2 GLU 19 HB2 GLU 19 18.486 3.864 -9.551 792 HB3 GLU 19 HB3 GLU 19 16.778 4.020 -9.955 793 HG2 GLU 19 HG2 GLU 19 17.374 5.099 -12.090 794 HG3 GLU 19 HG3 GLU 19 19.083 4.983 -11.676 795 H ALA 20 H ALA 20 15.157 5.928 -9.363 796 HA ALA 20 HA ALA 20 14.795 8.308 -11.044 797 HB1 ALA 20 HB1 ALA 20 15.038 6.459 -12.668 798 HB2 ALA 20 HB2 ALA 20 13.408 7.135 -12.703 799 HB3 ALA 20 HB3 ALA 20 13.710 5.595 -11.890 800 H ASP 21 H ASP 21 13.635 9.375 -9.455 801 HA ASP 21 HA ASP 21 11.455 8.199 -7.982 802 HB2 ASP 21 HB2 ASP 21 11.147 10.457 -7.037 803 HB3 ASP 21 HB3 ASP 21 12.836 9.974 -6.995 804 H GLY 22 H GLY 22 9.291 9.534 -7.899 805 HA2 GLY 22 HA2 GLY 22 7.387 10.366 -8.910 806 HA3 GLY 22 HA3 GLY 22 8.310 10.666 -10.375 807 H ILE 23 H ILE 23 8.482 7.446 -9.144 808 HA ILE 23 HA ILE 23 7.317 6.423 -11.586 809 HB ILE 23 HB ILE 23 9.408 5.472 -10.537 810 HG12 ILE 23 HG12 ILE 23 8.775 3.012 -10.877 811 HG13 ILE 23 HG13 ILE 23 7.103 3.537 -11.039 812 HG21 ILE 23 HG21 ILE 23 8.729 5.559 -8.179 813 HG22 ILE 23 HG22 ILE 23 9.275 3.942 -8.626 814 HG23 ILE 23 HG23 ILE 23 7.549 4.276 -8.461 815 HD11 ILE 23 HD11 ILE 23 8.142 3.140 -13.192 816 HD12 ILE 23 HD12 ILE 23 9.390 4.335 -12.839 817 HD13 ILE 23 HD13 ILE 23 7.705 4.839 -13.015 818 H SER 24 H SER 24 5.371 5.358 -11.850 819 HA SER 24 HA SER 24 3.365 5.525 -9.733 820 HB2 SER 24 HB2 SER 24 3.158 4.617 -12.634 821 HB3 SER 24 HB3 SER 24 1.788 4.651 -11.517 822 HG SER 24 HG SER 24 1.994 6.862 -11.355 823 H ILE 25 H ILE 25 2.074 3.723 -9.033 824 HA ILE 25 HA ILE 25 3.616 1.703 -7.931 825 HB ILE 25 HB ILE 25 0.590 1.702 -8.258 826 HG12 ILE 25 HG12 ILE 25 2.328 2.768 -5.978 827 HG13 ILE 25 HG13 ILE 25 1.419 3.742 -7.127 828 HG21 ILE 25 HG21 ILE 25 2.285 0.117 -6.288 829 HG22 ILE 25 HG22 ILE 25 1.381 -0.544 -7.654 830 HG23 ILE 25 HG23 ILE 25 0.520 0.193 -6.304 831 HD11 ILE 25 HD11 ILE 25 -0.680 2.832 -6.218 832 HD12 ILE 25 HD12 ILE 25 0.284 3.663 -5.000 833 HD13 ILE 25 HD13 ILE 25 0.246 1.901 -5.036 834 HA PRO 26 HA PRO 26 1.921 -1.642 -11.045 835 HB2 PRO 26 HB2 PRO 26 1.015 -0.934 -13.531 836 HB3 PRO 26 HB3 PRO 26 -0.041 -1.026 -12.114 837 HG2 PRO 26 HG2 PRO 26 1.241 1.393 -13.368 838 HG3 PRO 26 HG3 PRO 26 -0.417 1.185 -12.765 839 HD2 PRO 26 HD2 PRO 26 1.533 2.442 -11.310 840 HD3 PRO 26 HD3 PRO 26 0.202 1.549 -10.552 841 H GLU 27 H GLU 27 3.636 1.136 -12.413 842 HA GLU 27 HA GLU 27 5.294 -0.344 -14.266 843 HB2 GLU 27 HB2 GLU 27 5.529 2.439 -13.040 844 HB3 GLU 27 HB3 GLU 27 6.658 1.814 -14.248 845 HG2 GLU 27 HG2 GLU 27 3.677 2.209 -14.648 846 HG3 GLU 27 HG3 GLU 27 4.947 3.274 -15.249 847 H LEU 28 H LEU 28 5.766 1.195 -11.175 848 HA LEU 28 HA LEU 28 8.278 0.391 -10.363 849 HB2 LEU 28 HB2 LEU 28 6.934 2.082 -9.263 850 HB3 LEU 28 HB3 LEU 28 5.690 0.906 -8.880 851 HG LEU 28 HG LEU 28 7.236 -0.187 -7.279 852 HD11 LEU 28 HD11 LEU 28 9.279 0.929 -6.533 853 HD12 LEU 28 HD12 LEU 28 9.113 2.130 -7.816 854 HD13 LEU 28 HD13 LEU 28 9.407 0.435 -8.221 855 HD21 LEU 28 HD21 LEU 28 5.577 1.433 -6.555 856 HD22 LEU 28 HD22 LEU 28 6.719 2.756 -6.818 857 HD23 LEU 28 HD23 LEU 28 7.032 1.554 -5.562 858 H ALA 29 H ALA 29 5.187 -1.352 -10.151 859 HA ALA 29 HA ALA 29 5.918 -3.593 -8.645 860 HB1 ALA 29 HB1 ALA 29 3.917 -3.476 -10.928 861 HB2 ALA 29 HB2 ALA 29 3.591 -3.050 -9.247 862 HB3 ALA 29 HB3 ALA 29 3.986 -4.717 -9.670 863 H ARG 30 H ARG 30 6.244 -3.047 -12.169 864 HA ARG 30 HA ARG 30 7.396 -5.611 -12.774 865 HB2 ARG 30 HB2 ARG 30 7.226 -3.007 -14.322 866 HB3 ARG 30 HB3 ARG 30 8.208 -4.327 -14.927 867 HG2 ARG 30 HG2 ARG 30 6.036 -4.319 -16.024 868 HG3 ARG 30 HG3 ARG 30 6.221 -5.780 -15.055 869 HD2 ARG 30 HD2 ARG 30 4.809 -4.840 -13.306 870 HD3 ARG 30 HD3 ARG 30 4.693 -3.313 -14.177 871 HE ARG 30 HE ARG 30 3.652 -4.976 -15.972 872 HH11 ARG 30 HH11 ARG 30 3.002 -4.847 -12.558 873 HH12 ARG 30 HH12 ARG 30 1.347 -5.295 -12.768 874 HH21 ARG 30 HH21 ARG 30 1.544 -5.517 -16.189 875 HH22 ARG 30 HH22 ARG 30 0.534 -5.668 -14.795 876 H LYS 31 H LYS 31 8.752 -2.398 -12.011 877 HA LYS 31 HA LYS 31 11.495 -2.902 -12.464 878 HB2 LYS 31 HB2 LYS 31 10.304 -1.057 -10.336 879 HB3 LYS 31 HB3 LYS 31 11.942 -0.969 -10.974 880 HG2 LYS 31 HG2 LYS 31 9.400 -0.460 -12.561 881 HG3 LYS 31 HG3 LYS 31 10.452 0.788 -11.891 882 HD2 LYS 31 HD2 LYS 31 11.349 -1.272 -13.947 883 HD3 LYS 31 HD3 LYS 31 10.753 0.335 -14.362 884 HE2 LYS 31 HE2 LYS 31 13.180 -0.203 -12.616 885 HE3 LYS 31 HE3 LYS 31 13.241 0.181 -14.336 886 HZ1 LYS 31 HZ1 LYS 31 12.137 1.956 -12.215 887 HZ2 LYS 31 HZ2 LYS 31 12.227 2.324 -13.863 888 HZ3 LYS 31 HZ3 LYS 31 13.644 2.130 -12.963 889 H VAL 32 H VAL 32 9.513 -3.397 -9.556 890 HA VAL 32 HA VAL 32 11.733 -4.579 -8.053 891 HB VAL 32 HB VAL 32 10.308 -4.499 -6.098 892 HG11 VAL 32 HG11 VAL 32 9.888 -2.060 -5.950 893 HG12 VAL 32 HG12 VAL 32 10.068 -1.921 -7.702 894 HG13 VAL 32 HG13 VAL 32 11.443 -2.415 -6.708 895 HG21 VAL 32 HG21 VAL 32 7.961 -3.661 -6.161 896 HG22 VAL 32 HG22 VAL 32 8.147 -5.165 -7.061 897 HG23 VAL 32 HG23 VAL 32 8.025 -3.635 -7.927 898 H ASN 33 H ASN 33 9.373 -5.679 -10.170 899 HA ASN 33 HA ASN 33 8.770 -7.698 -10.950 900 HB2 ASN 33 HB2 ASN 33 10.971 -8.770 -9.126 901 HB3 ASN 33 HB3 ASN 33 10.164 -9.700 -10.391 902 HD21 ASN 33 HD21 ASN 33 12.400 -7.088 -9.745 903 HD22 ASN 33 HD22 ASN 33 13.058 -6.992 -11.338 904 H LEU 34 H LEU 34 7.582 -6.583 -8.402 905 HA LEU 34 HA LEU 34 6.284 -9.029 -7.318 906 HB2 LEU 34 HB2 LEU 34 6.311 -6.215 -6.131 907 HB3 LEU 34 HB3 LEU 34 5.647 -7.659 -5.377 908 HG LEU 34 HG LEU 34 8.598 -7.132 -5.931 909 HD11 LEU 34 HD11 LEU 34 7.763 -5.750 -4.109 910 HD12 LEU 34 HD12 LEU 34 8.855 -6.987 -3.496 911 HD13 LEU 34 HD13 LEU 34 7.110 -7.171 -3.286 912 HD21 LEU 34 HD21 LEU 34 9.056 -9.201 -4.669 913 HD22 LEU 34 HD22 LEU 34 8.127 -9.519 -6.131 914 HD23 LEU 34 HD23 LEU 34 7.321 -9.523 -4.559 915 H SER 35 H SER 35 3.899 -8.656 -6.715 916 HA SER 35 HA SER 35 2.365 -7.700 -8.963 917 HB2 SER 35 HB2 SER 35 1.550 -9.617 -7.662 918 HB3 SER 35 HB3 SER 35 1.455 -8.633 -6.200 919 HG SER 35 HG SER 35 -0.538 -9.012 -7.578 920 H VAL 36 H VAL 36 0.677 -6.025 -8.867 921 HA VAL 36 HA VAL 36 1.620 -3.509 -8.053 922 HB VAL 36 HB VAL 36 -1.234 -4.321 -8.762 923 HG11 VAL 36 HG11 VAL 36 -1.634 -1.919 -9.307 924 HG12 VAL 36 HG12 VAL 36 -0.051 -1.514 -8.642 925 HG13 VAL 36 HG13 VAL 36 -1.311 -2.165 -7.588 926 HG21 VAL 36 HG21 VAL 36 -0.684 -3.458 -11.025 927 HG22 VAL 36 HG22 VAL 36 0.356 -4.809 -10.566 928 HG23 VAL 36 HG23 VAL 36 0.976 -3.156 -10.499 929 H GLU 37 H GLU 37 -0.866 -5.554 -6.503 930 HA GLU 37 HA GLU 37 -1.595 -3.898 -4.342 931 HB2 GLU 37 HB2 GLU 37 -1.490 -6.942 -4.458 932 HB3 GLU 37 HB3 GLU 37 -2.363 -6.008 -3.245 933 HG2 GLU 37 HG2 GLU 37 -3.828 -5.099 -4.997 934 HG3 GLU 37 HG3 GLU 37 -2.946 -6.011 -6.221 935 H SER 38 H SER 38 0.853 -6.468 -4.492 936 HA SER 38 HA SER 38 1.856 -6.381 -1.869 937 HB2 SER 38 HB2 SER 38 3.367 -7.164 -4.396 938 HB3 SER 38 HB3 SER 38 3.708 -7.713 -2.749 939 HG SER 38 HG SER 38 2.323 -9.017 -4.377 940 H THR 39 H THR 39 2.776 -4.629 -4.774 941 HA THR 39 HA THR 39 5.170 -3.418 -3.807 942 HB THR 39 HB THR 39 3.396 -2.673 -6.176 943 HG1 THR 39 HG1 THR 39 4.279 -4.434 -6.957 944 HG21 THR 39 HG21 THR 39 5.363 -1.491 -7.082 945 HG22 THR 39 HG22 THR 39 6.257 -1.819 -5.596 946 HG23 THR 39 HG23 THR 39 4.842 -0.762 -5.560 947 H ALA 40 H ALA 40 1.808 -2.209 -4.205 948 HA ALA 40 HA ALA 40 2.164 0.435 -3.251 949 HB1 ALA 40 HB1 ALA 40 -0.338 -1.294 -3.147 950 HB2 ALA 40 HB2 ALA 40 0.170 -0.296 -4.509 951 HB3 ALA 40 HB3 ALA 40 -0.291 0.468 -2.988 952 H LEU 41 H LEU 41 1.470 -2.579 -1.564 953 HA LEU 41 HA LEU 41 1.030 -1.530 1.049 954 HB2 LEU 41 HB2 LEU 41 0.126 -3.674 0.332 955 HB3 LEU 41 HB3 LEU 41 1.716 -4.290 -0.030 956 HG LEU 41 HG LEU 41 0.434 -5.154 2.081 957 HD11 LEU 41 HD11 LEU 41 2.705 -5.804 1.536 958 HD12 LEU 41 HD12 LEU 41 2.501 -5.595 3.272 959 HD13 LEU 41 HD13 LEU 41 3.338 -4.359 2.328 960 HD21 LEU 41 HD21 LEU 41 1.591 -2.625 3.292 961 HD22 LEU 41 HD22 LEU 41 0.793 -3.943 4.154 962 HD23 LEU 41 HD23 LEU 41 -0.126 -2.948 3.026 963 H ALA 42 H ALA 42 3.915 -2.749 -0.668 964 HA ALA 42 HA ALA 42 5.799 -2.440 1.451 965 HB1 ALA 42 HB1 ALA 42 6.284 -2.382 -1.550 966 HB2 ALA 42 HB2 ALA 42 6.246 -3.828 -0.537 967 HB3 ALA 42 HB3 ALA 42 7.515 -2.623 -0.303 968 H VAL 43 H VAL 43 4.623 -0.186 -1.059 969 HA VAL 43 HA VAL 43 6.281 2.038 -0.512 970 HB VAL 43 HB VAL 43 3.391 2.018 -1.504 971 HG11 VAL 43 HG11 VAL 43 5.406 4.297 -1.631 972 HG12 VAL 43 HG12 VAL 43 3.942 4.256 -0.645 973 HG13 VAL 43 HG13 VAL 43 3.818 4.290 -2.404 974 HG21 VAL 43 HG21 VAL 43 4.353 2.255 -3.767 975 HG22 VAL 43 HG22 VAL 43 4.908 0.772 -2.994 976 HG23 VAL 43 HG23 VAL 43 5.982 2.165 -3.092 977 H GLY 44 H GLY 44 3.345 0.860 1.067 978 HA2 GLY 44 HA2 GLY 44 2.765 3.006 2.795 979 HA3 GLY 44 HA3 GLY 44 2.357 1.324 3.078 980 H TRP 45 H TRP 45 5.137 0.381 3.136 981 HA TRP 45 HA TRP 45 5.910 0.920 5.836 982 HB2 TRP 45 HB2 TRP 45 6.475 -1.228 4.795 983 HB3 TRP 45 HB3 TRP 45 7.460 -0.422 3.577 984 HD1 TRP 45 HD1 TRP 45 9.982 0.124 4.244 985 HE1 TRP 45 HE1 TRP 45 11.416 -0.345 6.316 986 HE3 TRP 45 HE3 TRP 45 6.303 -1.378 7.459 987 HZ2 TRP 45 HZ2 TRP 45 11.061 -1.229 8.960 988 HZ3 TRP 45 HZ3 TRP 45 6.938 -2.012 9.755 989 HH2 TRP 45 HH2 TRP 45 9.269 -1.939 10.492 990 H LEU 46 H LEU 46 7.066 2.120 2.692 991 HA LEU 46 HA LEU 46 9.195 3.750 3.698 992 HB2 LEU 46 HB2 LEU 46 7.637 3.949 1.093 993 HB3 LEU 46 HB3 LEU 46 9.135 4.807 1.438 994 HG LEU 46 HG LEU 46 8.828 1.784 1.220 995 HD11 LEU 46 HD11 LEU 46 10.181 3.728 -0.678 996 HD12 LEU 46 HD12 LEU 46 8.644 2.898 -0.954 997 HD13 LEU 46 HD13 LEU 46 10.136 1.968 -0.836 998 HD21 LEU 46 HD21 LEU 46 11.280 1.692 1.410 999 HD22 LEU 46 HD22 LEU 46 10.547 2.367 2.862 1000 HD23 LEU 46 HD23 LEU 46 11.335 3.435 1.695 1001 H ALA 47 H ALA 47 5.764 4.362 3.025 1002 HA ALA 47 HA ALA 47 5.626 7.098 3.700 1003 HB1 ALA 47 HB1 ALA 47 3.484 4.959 4.004 1004 HB2 ALA 47 HB2 ALA 47 3.808 5.898 2.545 1005 HB3 ALA 47 HB3 ALA 47 3.207 6.705 3.996 1006 H ARG 48 H ARG 48 5.601 4.175 5.735 1007 HA ARG 48 HA ARG 48 5.159 5.400 8.258 1008 HB2 ARG 48 HB2 ARG 48 4.917 3.037 8.139 1009 HB3 ARG 48 HB3 ARG 48 6.479 2.816 7.373 1010 HG2 ARG 48 HG2 ARG 48 7.630 3.284 9.469 1011 HG3 ARG 48 HG3 ARG 48 6.101 3.678 10.260 1012 HD2 ARG 48 HD2 ARG 48 5.352 1.388 10.119 1013 HD3 ARG 48 HD3 ARG 48 6.703 0.952 9.071 1014 HE ARG 48 HE ARG 48 8.179 1.402 11.017 1015 HH11 ARG 48 HH11 ARG 48 4.852 0.665 11.702 1016 HH12 ARG 48 HH12 ARG 48 5.222 -0.018 13.241 1017 HH21 ARG 48 HH21 ARG 48 8.623 0.490 12.947 1018 HH22 ARG 48 HH22 ARG 48 7.348 -0.131 13.936 1019 H GLU 49 H GLU 49 8.146 4.690 6.458 1020 HA GLU 49 HA GLU 49 9.915 5.877 8.421 1021 HB2 GLU 49 HB2 GLU 49 10.498 5.005 5.566 1022 HB3 GLU 49 HB3 GLU 49 11.696 5.330 6.816 1023 HG2 GLU 49 HG2 GLU 49 10.838 3.409 8.119 1024 HG3 GLU 49 HG3 GLU 49 9.660 3.079 6.849 1025 H ASN 50 H ASN 50 7.884 7.246 6.163 1026 HA ASN 50 HA ASN 50 7.516 9.299 5.302 1027 HB2 ASN 50 HB2 ASN 50 9.654 10.209 7.268 1028 HB3 ASN 50 HB3 ASN 50 8.508 11.268 6.446 1029 HD21 ASN 50 HD21 ASN 50 8.862 10.950 9.285 1030 HD22 ASN 50 HD22 ASN 50 7.352 10.398 9.909 1031 H LYS 51 H LYS 51 9.668 7.590 4.147 1032 HA LYS 51 HA LYS 51 11.683 9.392 3.056 1033 HB2 LYS 51 HB2 LYS 51 11.196 6.400 2.883 1034 HB3 LYS 51 HB3 LYS 51 12.444 7.182 1.917 1035 HG2 LYS 51 HG2 LYS 51 13.734 7.754 3.808 1036 HG3 LYS 51 HG3 LYS 51 12.379 7.542 4.913 1037 HD2 LYS 51 HD2 LYS 51 14.046 5.739 5.144 1038 HD3 LYS 51 HD3 LYS 51 12.472 5.124 4.649 1039 HE2 LYS 51 HE2 LYS 51 13.308 4.951 2.311 1040 HE3 LYS 51 HE3 LYS 51 14.894 5.510 2.859 1041 HZ1 LYS 51 HZ1 LYS 51 15.052 3.592 4.293 1042 HZ2 LYS 51 HZ2 LYS 51 14.755 3.087 2.704 1043 HZ3 LYS 51 HZ3 LYS 51 13.502 3.079 3.843 1044 H VAL 52 H VAL 52 8.531 8.769 2.123 1045 HA VAL 52 HA VAL 52 9.112 9.235 -0.750 1046 HB VAL 52 HB VAL 52 7.126 7.881 -1.402 1047 HG11 VAL 52 HG11 VAL 52 9.368 6.879 -1.475 1048 HG12 VAL 52 HG12 VAL 52 8.149 5.665 -1.084 1049 HG13 VAL 52 HG13 VAL 52 9.186 6.317 0.190 1050 HG21 VAL 52 HG21 VAL 52 5.812 7.996 0.687 1051 HG22 VAL 52 HG22 VAL 52 7.024 7.025 1.525 1052 HG23 VAL 52 HG23 VAL 52 6.072 6.313 0.219 1053 H VAL 53 H VAL 53 7.772 10.604 -1.879 1054 HA VAL 53 HA VAL 53 5.641 12.053 -0.391 1055 HB VAL 53 HB VAL 53 7.011 13.065 -2.929 1056 HG11 VAL 53 HG11 VAL 53 6.053 15.257 -2.254 1057 HG12 VAL 53 HG12 VAL 53 5.304 14.501 -0.847 1058 HG13 VAL 53 HG13 VAL 53 4.794 14.039 -2.474 1059 HG21 VAL 53 HG21 VAL 53 8.755 12.861 -1.204 1060 HG22 VAL 53 HG22 VAL 53 7.773 13.793 -0.073 1061 HG23 VAL 53 HG23 VAL 53 8.400 14.559 -1.532 1062 H ILE 54 H ILE 54 3.602 11.569 -1.084 1063 HA ILE 54 HA ILE 54 3.287 9.995 -3.580 1064 HB ILE 54 HB ILE 54 1.560 10.024 -1.067 1065 HG12 ILE 54 HG12 ILE 54 3.553 7.924 -2.046 1066 HG13 ILE 54 HG13 ILE 54 3.836 9.042 -0.718 1067 HG21 ILE 54 HG21 ILE 54 1.381 8.212 -3.502 1068 HG22 ILE 54 HG22 ILE 54 0.228 9.474 -3.061 1069 HG23 ILE 54 HG23 ILE 54 0.419 8.059 -2.029 1070 HD11 ILE 54 HD11 ILE 54 2.022 7.981 0.539 1071 HD12 ILE 54 HD12 ILE 54 3.297 6.848 0.094 1072 HD13 ILE 54 HD13 ILE 54 1.774 6.849 -0.794 1073 H GLU 55 H GLU 55 2.438 11.105 -5.213 1074 HA GLU 55 HA GLU 55 0.591 13.383 -4.755 1075 HB2 GLU 55 HB2 GLU 55 2.610 12.953 -7.014 1076 HB3 GLU 55 HB3 GLU 55 1.538 14.344 -6.855 1077 HG2 GLU 55 HG2 GLU 55 2.658 14.934 -4.723 1078 HG3 GLU 55 HG3 GLU 55 3.747 13.568 -4.924 1079 H ARG 56 H ARG 56 -1.287 13.494 -5.994 1080 HA ARG 56 HA ARG 56 -1.974 11.136 -7.663 1081 HB2 ARG 56 HB2 ARG 56 -3.774 12.868 -5.918 1082 HB3 ARG 56 HB3 ARG 56 -4.361 11.609 -7.004 1083 HG2 ARG 56 HG2 ARG 56 -3.154 9.898 -5.708 1084 HG3 ARG 56 HG3 ARG 56 -2.502 11.147 -4.640 1085 HD2 ARG 56 HD2 ARG 56 -4.745 11.694 -3.852 1086 HD3 ARG 56 HD3 ARG 56 -5.458 10.550 -4.997 1087 HE ARG 56 HE ARG 56 -3.574 9.360 -3.157 1088 HH11 ARG 56 HH11 ARG 56 -6.888 10.205 -3.644 1089 HH12 ARG 56 HH12 ARG 56 -7.457 9.070 -2.478 1090 HH21 ARG 56 HH21 ARG 56 -4.343 7.894 -1.653 1091 HH22 ARG 56 HH22 ARG 56 -6.043 7.780 -1.368 1092 H LYS 57 H LYS 57 -1.646 11.766 -9.692 1093 HA LYS 57 HA LYS 57 -2.843 14.278 -10.743 1094 HB2 LYS 57 HB2 LYS 57 -0.424 12.651 -11.633 1095 HB3 LYS 57 HB3 LYS 57 -1.236 13.723 -12.759 1096 HG2 LYS 57 HG2 LYS 57 0.776 14.747 -11.770 1097 HG3 LYS 57 HG3 LYS 57 -0.688 15.662 -11.413 1098 HD2 LYS 57 HD2 LYS 57 -0.727 14.816 -9.130 1099 HD3 LYS 57 HD3 LYS 57 0.609 13.713 -9.468 1100 HE2 LYS 57 HE2 LYS 57 0.816 16.741 -9.574 1101 HE3 LYS 57 HE3 LYS 57 1.283 15.749 -8.191 1102 HZ1 LYS 57 HZ1 LYS 57 2.488 15.667 -10.908 1103 HZ2 LYS 57 HZ2 LYS 57 2.858 14.585 -9.667 1104 HZ3 LYS 57 HZ3 LYS 57 3.210 16.232 -9.483 1105 H ASN 58 H ASN 58 -4.775 13.867 -11.730 1106 HA ASN 58 HA ASN 58 -6.470 12.919 -12.924 1107 HB2 ASN 58 HB2 ASN 58 -4.163 11.545 -14.366 1108 HB3 ASN 58 HB3 ASN 58 -5.818 11.563 -14.958 1109 HD21 ASN 58 HD21 ASN 58 -3.317 12.636 -16.113 1110 HD22 ASN 58 HD22 ASN 58 -3.636 14.303 -16.436 1111 H GLY 59 H GLY 59 -5.708 11.567 -10.449 1112 HA2 GLY 59 HA2 GLY 59 -6.543 9.736 -9.273 1113 HA3 GLY 59 HA3 GLY 59 -7.031 8.984 -10.780 1114 H LEU 60 H LEU 60 -3.974 9.714 -11.461 1115 HA LEU 60 HA LEU 60 -2.944 7.046 -10.916 1116 HB2 LEU 60 HB2 LEU 60 -2.663 8.175 -13.135 1117 HB3 LEU 60 HB3 LEU 60 -1.705 9.428 -12.368 1118 HG LEU 60 HG LEU 60 -0.015 7.632 -11.741 1119 HD11 LEU 60 HD11 LEU 60 -1.437 5.667 -11.871 1120 HD12 LEU 60 HD12 LEU 60 -0.065 5.501 -12.964 1121 HD13 LEU 60 HD13 LEU 60 -1.662 5.907 -13.607 1122 HD21 LEU 60 HD21 LEU 60 -0.492 8.065 -14.713 1123 HD22 LEU 60 HD22 LEU 60 1.028 7.552 -13.972 1124 HD23 LEU 60 HD23 LEU 60 0.379 9.153 -13.627 1125 H ILE 61 H ILE 61 -1.558 6.557 -9.274 1126 HA ILE 61 HA ILE 61 -0.596 8.633 -7.450 1127 HB ILE 61 HB ILE 61 -0.377 5.584 -7.274 1128 HG12 ILE 61 HG12 ILE 61 -1.893 5.964 -5.197 1129 HG13 ILE 61 HG13 ILE 61 -2.157 7.587 -5.816 1130 HG21 ILE 61 HG21 ILE 61 1.594 6.555 -6.196 1131 HG22 ILE 61 HG22 ILE 61 0.512 5.894 -4.970 1132 HG23 ILE 61 HG23 ILE 61 0.576 7.637 -5.242 1133 HD11 ILE 61 HD11 ILE 61 -3.988 6.083 -6.350 1134 HD12 ILE 61 HD12 ILE 61 -2.887 5.020 -7.227 1135 HD13 ILE 61 HD13 ILE 61 -3.194 6.657 -7.816 1136 H GLU 62 H GLU 62 1.395 9.489 -7.573 1137 HA GLU 62 HA GLU 62 3.648 8.042 -8.862 1138 HB2 GLU 62 HB2 GLU 62 3.325 11.070 -8.576 1139 HB3 GLU 62 HB3 GLU 62 4.612 10.226 -9.436 1140 HG2 GLU 62 HG2 GLU 62 3.003 9.493 -11.135 1141 HG3 GLU 62 HG3 GLU 62 1.691 10.278 -10.251 1142 H ILE 63 H ILE 63 5.095 7.407 -7.278 1143 HA ILE 63 HA ILE 63 5.285 9.007 -4.795 1144 HB ILE 63 HB ILE 63 6.333 7.111 -3.701 1145 HG12 ILE 63 HG12 ILE 63 5.948 5.439 -6.231 1146 HG13 ILE 63 HG13 ILE 63 7.486 6.177 -5.801 1147 HG21 ILE 63 HG21 ILE 63 3.795 6.289 -5.167 1148 HG22 ILE 63 HG22 ILE 63 3.883 7.238 -3.681 1149 HG23 ILE 63 HG23 ILE 63 4.403 5.553 -3.680 1150 HD11 ILE 63 HD11 ILE 63 5.998 4.126 -4.175 1151 HD12 ILE 63 HD12 ILE 63 7.531 4.880 -3.726 1152 HD13 ILE 63 HD13 ILE 63 7.436 3.857 -5.157 1153 H TYR 64 H TYR 64 7.153 9.897 -4.134 1154 HA TYR 64 HA TYR 64 9.496 9.939 -5.975 1155 HB2 TYR 64 HB2 TYR 64 8.340 12.243 -4.321 1156 HB3 TYR 64 HB3 TYR 64 9.791 12.337 -5.312 1157 HD1 TYR 64 HD2 TYR 64 6.100 11.657 -5.575 1158 HD2 TYR 64 HD1 TYR 64 9.597 13.088 -7.563 1159 HE1 TYR 64 HE2 TYR 64 4.730 12.355 -7.480 1160 HE2 TYR 64 HE1 TYR 64 8.216 13.789 -9.476 1161 HH TYR 64 HH TYR 64 4.784 13.872 -9.319 1162 H ASN 65 H ASN 65 11.494 10.909 -4.715 1163 HA ASN 65 HA ASN 65 11.833 9.633 -2.118 1164 HB2 ASN 65 HB2 ASN 65 13.703 11.568 -3.570 1165 HB3 ASN 65 HB3 ASN 65 14.114 10.607 -2.150 1166 HD21 ASN 65 HD21 ASN 65 15.733 9.363 -3.059 1167 HD22 ASN 65 HD22 ASN 65 15.475 8.276 -4.374 1168 H GLU 66 H GLU 66 12.368 10.809 -0.153 1169 HA GLU 66 HA GLU 66 10.866 12.982 0.634 1170 HB2 GLU 66 HB2 GLU 66 12.107 11.465 2.177 1171 HB3 GLU 66 HB3 GLU 66 13.628 12.201 1.685 1172 HG2 GLU 66 HG2 GLU 66 12.814 14.382 2.606 1173 HG3 GLU 66 HG3 GLU 66 11.363 13.563 3.177 1174 H GLY 67 H GLY 67 10.797 14.821 -0.611 1175 HA2 GLY 67 HA2 GLY 67 12.825 16.796 -0.565 1176 HA3 GLY 67 HA3 GLY 67 12.919 15.941 -2.101 1177 H HIS 68 H HIS 68 10.127 15.469 -2.482 1178 HA HIS 68 HA HIS 68 9.172 18.044 -3.367 1179 HB2 HIS 68 HB2 HIS 68 8.034 15.247 -3.490 1180 HB3 HIS 68 HB3 HIS 68 7.008 16.622 -3.878 1181 HD1 HIS 68 HD1 HIS 68 6.827 16.798 -6.314 1182 HD2 HIS 68 HD2 HIS 68 10.663 15.695 -5.154 1183 HE1 HIS 68 HE1 HIS 68 8.166 16.712 -8.431 1184 HE2 HIS 68 HE2 HIS 68 10.508 16.175 -7.690 1185 H PHE 69 H PHE 69 9.044 16.584 -0.307 1186 HA PHE 69 HA PHE 69 6.770 17.878 0.802 1187 HB2 PHE 69 HB2 PHE 69 9.475 17.292 2.090 1188 HB3 PHE 69 HB3 PHE 69 8.027 17.771 2.969 1189 HD1 PHE 69 HD1 PHE 69 5.881 16.197 2.240 1190 HD2 PHE 69 HD2 PHE 69 9.991 15.012 2.279 1191 HE1 PHE 69 HE1 PHE 69 5.209 13.853 2.506 1192 HE2 PHE 69 HE2 PHE 69 9.305 12.663 2.539 1193 HZ PHE 69 HZ PHE 69 6.914 12.085 2.654 1194 H ASP 70 H ASP 70 10.156 18.905 0.340 1195 HA ASP 70 HA ASP 70 9.858 21.619 1.189 1196 HB2 ASP 70 HB2 ASP 70 11.938 20.426 -0.717 1197 HB3 ASP 70 HB3 ASP 70 12.071 21.967 0.133 1198 H PHE 71 H PHE 71 9.609 23.491 -0.079 1199 HA PHE 71 HA PHE 71 8.938 23.218 -2.930 1200 HB2 PHE 71 HB2 PHE 71 6.857 24.495 -2.702 1201 HB3 PHE 71 HB3 PHE 71 6.785 23.064 -1.684 1202 HD1 PHE 71 HD1 PHE 71 7.092 23.327 0.843 1203 HD2 PHE 71 HD2 PHE 71 6.610 26.705 -1.748 1204 HE1 PHE 71 HE1 PHE 71 6.501 24.738 2.772 1205 HE2 PHE 71 HE2 PHE 71 6.023 28.102 0.193 1206 HZ PHE 71 HZ PHE 71 5.967 27.119 2.452 1207 H SER 72 H SER 72 9.340 24.996 -4.178 1208 HA SER 72 HA SER 72 10.569 27.406 -2.975 1209 HB2 SER 72 HB2 SER 72 11.378 27.892 -5.277 1210 HB3 SER 72 HB3 SER 72 11.875 26.275 -4.783 1211 HG SER 72 HG SER 72 10.798 26.721 -6.981 1212 H PHE 73 H PHE 73 9.974 29.391 -4.666 1213 HA PHE 73 HA PHE 73 7.137 29.863 -4.424 1214 HB2 PHE 73 HB2 PHE 73 8.906 31.671 -4.219 1215 HB3 PHE 73 HB3 PHE 73 9.186 31.535 -5.950 1216 HD1 PHE 73 HD1 PHE 73 6.640 32.474 -3.384 1217 HD2 PHE 73 HD2 PHE 73 7.709 32.677 -7.528 1218 HE1 PHE 73 HE1 PHE 73 4.831 34.095 -3.780 1219 HE2 PHE 73 HE2 PHE 73 5.894 34.303 -7.905 1220 HZ PHE 73 HZ PHE 73 4.456 35.010 -6.034 1221 H GLY 74 H GLY 74 5.992 28.432 -5.689 1222 HA2 GLY 74 HA2 GLY 74 6.094 28.697 -8.614 1223 HA3 GLY 74 HA3 GLY 74 6.438 27.102 -7.955 1224 H LEU 75 H LEU 75 4.004 29.492 -8.562 1225 HA LEU 75 HA LEU 75 1.837 28.191 -7.185 1226 HB2 LEU 75 HB2 LEU 75 1.770 30.379 -9.306 1227 HB3 LEU 75 HB3 LEU 75 0.371 29.798 -8.422 1228 HG LEU 75 HG LEU 75 0.966 31.841 -7.408 1229 HD11 LEU 75 HD11 LEU 75 1.520 31.290 -5.102 1230 HD12 LEU 75 HD12 LEU 75 2.075 29.687 -5.595 1231 HD13 LEU 75 HD13 LEU 75 0.377 30.134 -5.785 1232 HD21 LEU 75 HD21 LEU 75 3.187 32.453 -6.593 1233 HD22 LEU 75 HD22 LEU 75 3.201 32.139 -8.326 1234 HD23 LEU 75 HD23 LEU 75 3.851 30.935 -7.209 1235 H GLU 76 H GLU 76 1.385 26.186 -7.856 1236 HA GLU 76 HA GLU 76 1.270 25.368 -10.636 1237 HB2 GLU 76 HB2 GLU 76 1.901 23.904 -8.568 1238 HB3 GLU 76 HB3 GLU 76 0.174 23.817 -8.248 1239 HG2 GLU 76 HG2 GLU 76 -0.118 22.820 -10.549 1240 HG3 GLU 76 HG3 GLU 76 1.635 22.781 -10.699 1241 H HIS 77 H HIS 77 -0.917 24.134 -11.313 1242 HA HIS 77 HA HIS 77 -2.998 25.923 -11.697 1243 HB2 HIS 77 HB2 HIS 77 -4.355 24.036 -12.488 1244 HB3 HIS 77 HB3 HIS 77 -2.693 23.813 -13.012 1245 HD1 HIS 77 HD1 HIS 77 -5.278 22.392 -10.691 1246 HD2 HIS 77 HD2 HIS 77 -1.412 21.535 -11.961 1247 HE1 HIS 77 HE1 HIS 77 -4.785 20.087 -9.830 1248 HE2 HIS 77 HE2 HIS 77 -2.371 19.703 -10.406 1249 H HIS 78 H HIS 78 -4.919 26.437 -10.675 1250 HA HIS 78 HA HIS 78 -5.087 26.205 -7.858 1251 HB2 HIS 78 HB2 HIS 78 -6.068 28.029 -9.435 1252 HB3 HIS 78 HB3 HIS 78 -7.432 26.941 -9.656 1253 HD1 HIS 78 HD1 HIS 78 -9.323 27.403 -8.076 1254 HD2 HIS 78 HD2 HIS 78 -5.677 28.650 -6.511 1255 HE1 HIS 78 HE1 HIS 78 -9.875 28.547 -5.910 1256 HE2 HIS 78 HE2 HIS 78 -7.663 29.321 -5.000 1257 H HIS 79 H HIS 79 -6.317 24.850 -6.525 1258 HA HIS 79 HA HIS 79 -6.559 22.180 -7.391 1259 HB2 HIS 79 HB2 HIS 79 -6.029 22.956 -5.053 1260 HB3 HIS 79 HB3 HIS 79 -7.717 23.406 -4.852 1261 HD1 HIS 79 HD1 HIS 79 -5.394 20.547 -4.657 1262 HD2 HIS 79 HD2 HIS 79 -9.505 21.135 -4.678 1263 HE1 HIS 79 HE1 HIS 79 -6.379 18.410 -3.794 1264 HE2 HIS 79 HE2 HIS 79 -8.852 18.711 -4.060 1265 H HIS 80 H HIS 80 -8.349 20.807 -7.695 1266 HA HIS 80 HA HIS 80 -10.410 21.710 -9.310 1267 HB2 HIS 80 HB2 HIS 80 -9.620 19.392 -9.300 1268 HB3 HIS 80 HB3 HIS 80 -10.248 19.146 -7.676 1269 HD1 HIS 80 HD1 HIS 80 -12.690 18.493 -7.458 1270 HD2 HIS 80 HD2 HIS 80 -11.658 19.505 -11.351 1271 HE1 HIS 80 HE1 HIS 80 -14.639 17.799 -8.867 1272 HE2 HIS 80 HE2 HIS 80 -14.053 18.535 -11.193 1273 H HIS 81 H HIS 81 -12.156 22.884 -8.896 1274 HA HIS 81 HA HIS 81 -13.394 23.266 -6.345 1275 HB2 HIS 81 HB2 HIS 81 -13.431 25.014 -8.085 1276 HB3 HIS 81 HB3 HIS 81 -14.341 23.966 -9.164 1277 HD1 HIS 81 HD1 HIS 81 -16.871 23.697 -8.699 1278 HD2 HIS 81 HD2 HIS 81 -14.955 26.305 -6.089 1279 HE1 HIS 81 HE1 HIS 81 -18.706 24.959 -7.548 1280 HE2 HIS 81 HE2 HIS 81 -17.526 26.635 -6.102 1281 H HIS 82 H HIS 82 -15.211 22.300 -5.463 1282 HA HIS 82 HA HIS 82 -15.927 19.660 -6.245 1283 HB2 HIS 82 HB2 HIS 82 -17.345 21.513 -4.291 1284 HB3 HIS 82 HB3 HIS 82 -17.585 19.772 -4.403 1285 HD1 HIS 82 HD1 HIS 82 -15.698 22.233 -2.585 1286 HD2 HIS 82 HD2 HIS 82 -15.068 18.300 -3.752 1287 HE1 HIS 82 HE1 HIS 82 -13.846 21.393 -1.124 1288 HE2 HIS 82 HE2 HIS 82 -13.622 18.962 -1.720 Start of MODEL 15 1 H1 MET 1 H1 MET 1 2.092 17.288 -2.905 2 H2 MET 1 H2 MET 1 2.145 17.623 -1.246 3 H3 MET 1 H3 MET 1 0.897 18.253 -2.196 4 HA MET 1 HA MET 1 0.058 16.070 -2.661 5 HB2 MET 1 HB2 MET 1 0.954 14.078 -1.533 6 HB3 MET 1 HB3 MET 1 2.167 14.831 -2.552 7 HG2 MET 1 HG2 MET 1 3.385 15.643 -0.690 8 HG3 MET 1 HG3 MET 1 2.047 15.344 0.419 9 HE1 MET 1 HE1 MET 1 1.261 12.933 1.176 10 HE2 MET 1 HE2 MET 1 2.042 11.437 0.676 11 HE3 MET 1 HE3 MET 1 1.111 12.376 -0.490 12 H ASP 2 H ASP 2 1.196 17.339 0.456 13 HA ASP 2 HA ASP 2 0.344 17.598 2.510 14 HB2 ASP 2 HB2 ASP 2 -2.365 17.406 1.113 15 HB3 ASP 2 HB3 ASP 2 -2.131 17.930 2.783 16 H LYS 3 H LYS 3 1.119 15.839 3.566 17 HA LYS 3 HA LYS 3 0.532 13.194 2.689 18 HB2 LYS 3 HB2 LYS 3 2.764 14.041 3.415 19 HB3 LYS 3 HB3 LYS 3 2.179 14.089 5.074 20 HG2 LYS 3 HG2 LYS 3 1.944 11.679 5.123 21 HG3 LYS 3 HG3 LYS 3 2.321 11.566 3.399 22 HD2 LYS 3 HD2 LYS 3 4.610 12.388 3.833 23 HD3 LYS 3 HD3 LYS 3 4.233 12.551 5.555 24 HE2 LYS 3 HE2 LYS 3 4.149 9.938 4.013 25 HE3 LYS 3 HE3 LYS 3 5.500 10.472 5.012 26 HZ1 LYS 3 HZ1 LYS 3 3.993 8.941 6.167 27 HZ2 LYS 3 HZ2 LYS 3 2.736 10.057 6.018 28 HZ3 LYS 3 HZ3 LYS 3 4.101 10.435 6.940 29 H LYS 4 H LYS 4 -1.004 15.056 5.154 30 HA LYS 4 HA LYS 4 -1.752 12.958 6.934 31 HB2 LYS 4 HB2 LYS 4 -3.381 14.514 7.881 32 HB3 LYS 4 HB3 LYS 4 -1.828 15.300 7.642 33 HG2 LYS 4 HG2 LYS 4 -2.674 16.462 5.658 34 HG3 LYS 4 HG3 LYS 4 -4.222 15.620 5.794 35 HD2 LYS 4 HD2 LYS 4 -3.066 17.581 7.824 36 HD3 LYS 4 HD3 LYS 4 -4.376 17.920 6.692 37 HE2 LYS 4 HE2 LYS 4 -5.801 16.259 7.813 38 HE3 LYS 4 HE3 LYS 4 -4.482 15.831 8.902 39 HZ1 LYS 4 HZ1 LYS 4 -6.012 17.298 9.985 40 HZ2 LYS 4 HZ2 LYS 4 -5.865 18.452 8.759 41 HZ3 LYS 4 HZ3 LYS 4 -4.545 18.108 9.760 42 H ILE 5 H ILE 5 -2.896 13.706 3.780 43 HA ILE 5 HA ILE 5 -5.507 12.839 3.628 44 HB ILE 5 HB ILE 5 -3.196 12.379 1.703 45 HG12 ILE 5 HG12 ILE 5 -5.522 14.351 1.572 46 HG13 ILE 5 HG13 ILE 5 -3.890 14.747 2.100 47 HG21 ILE 5 HG21 ILE 5 -6.120 11.826 1.104 48 HG22 ILE 5 HG22 ILE 5 -4.822 10.633 1.174 49 HG23 ILE 5 HG23 ILE 5 -4.824 11.859 -0.093 50 HD11 ILE 5 HD11 ILE 5 -4.683 13.842 -0.673 51 HD12 ILE 5 HD12 ILE 5 -3.040 14.234 -0.144 52 HD13 ILE 5 HD13 ILE 5 -4.283 15.487 -0.176 53 H VAL 6 H VAL 6 -2.607 10.719 3.581 54 HA VAL 6 HA VAL 6 -3.963 8.268 3.215 55 HB VAL 6 HB VAL 6 -1.850 7.151 3.887 56 HG11 VAL 6 HG11 VAL 6 -2.066 8.013 1.604 57 HG12 VAL 6 HG12 VAL 6 -0.395 8.144 2.157 58 HG13 VAL 6 HG13 VAL 6 -1.416 9.583 2.107 59 HG21 VAL 6 HG21 VAL 6 0.114 8.473 4.628 60 HG22 VAL 6 HG22 VAL 6 -1.211 8.609 5.785 61 HG23 VAL 6 HG23 VAL 6 -0.876 9.933 4.672 62 H GLY 7 H GLY 7 -3.332 10.102 6.150 63 HA2 GLY 7 HA2 GLY 7 -3.979 8.103 8.085 64 HA3 GLY 7 HA3 GLY 7 -4.024 9.843 8.334 65 H ALA 8 H ALA 8 -5.938 10.519 6.361 66 HA ALA 8 HA ALA 8 -8.424 10.024 7.674 67 HB1 ALA 8 HB1 ALA 8 -7.897 11.246 4.940 68 HB2 ALA 8 HB2 ALA 8 -7.949 12.123 6.468 69 HB3 ALA 8 HB3 ALA 8 -9.412 11.357 5.847 70 H ASN 9 H ASN 9 -7.197 9.001 4.465 71 HA ASN 9 HA ASN 9 -9.367 7.419 3.631 72 HB2 ASN 9 HB2 ASN 9 -6.435 7.442 2.822 73 HB3 ASN 9 HB3 ASN 9 -7.569 6.303 2.098 74 HD21 ASN 9 HD21 ASN 9 -6.841 9.724 2.487 75 HD22 ASN 9 HD22 ASN 9 -7.727 10.256 1.114 76 H ALA 10 H ALA 10 -6.451 6.494 5.479 77 HA ALA 10 HA ALA 10 -6.936 3.664 5.400 78 HB1 ALA 10 HB1 ALA 10 -5.139 5.242 7.267 79 HB2 ALA 10 HB2 ALA 10 -4.678 4.598 5.692 80 HB3 ALA 10 HB3 ALA 10 -5.094 3.494 7.000 81 H GLY 11 H GLY 11 -7.908 6.253 7.570 82 HA2 GLY 11 HA2 GLY 11 -8.762 4.750 9.816 83 HA3 GLY 11 HA3 GLY 11 -9.378 6.327 9.339 84 H LYS 12 H LYS 12 -10.431 5.672 6.823 85 HA LYS 12 HA LYS 12 -12.979 4.532 7.446 86 HB2 LYS 12 HB2 LYS 12 -12.759 6.301 5.763 87 HB3 LYS 12 HB3 LYS 12 -11.731 5.272 4.772 88 HG2 LYS 12 HG2 LYS 12 -13.598 3.761 4.324 89 HG3 LYS 12 HG3 LYS 12 -14.648 4.683 5.403 90 HD2 LYS 12 HD2 LYS 12 -13.388 5.743 2.838 91 HD3 LYS 12 HD3 LYS 12 -15.058 5.188 2.994 92 HE2 LYS 12 HE2 LYS 12 -15.481 6.974 4.658 93 HE3 LYS 12 HE3 LYS 12 -13.820 7.539 4.471 94 HZ1 LYS 12 HZ1 LYS 12 -15.254 8.876 3.153 95 HZ2 LYS 12 HZ2 LYS 12 -15.944 7.528 2.410 96 HZ3 LYS 12 HZ3 LYS 12 -14.332 7.926 2.103 97 H VAL 13 H VAL 13 -10.189 3.380 5.543 98 HA VAL 13 HA VAL 13 -11.158 0.872 4.731 99 HB VAL 13 HB VAL 13 -8.287 1.728 5.318 100 HG11 VAL 13 HG11 VAL 13 -8.408 -0.728 5.316 101 HG12 VAL 13 HG12 VAL 13 -7.571 -0.160 3.872 102 HG13 VAL 13 HG13 VAL 13 -9.245 -0.708 3.761 103 HG21 VAL 13 HG21 VAL 13 -9.384 3.095 3.577 104 HG22 VAL 13 HG22 VAL 13 -9.817 1.638 2.681 105 HG23 VAL 13 HG23 VAL 13 -8.120 2.087 2.869 106 H TRP 14 H TRP 14 -9.456 1.814 7.689 107 HA TRP 14 HA TRP 14 -9.258 -0.748 8.896 108 HB2 TRP 14 HB2 TRP 14 -7.881 1.278 9.564 109 HB3 TRP 14 HB3 TRP 14 -9.303 1.927 10.370 110 HD1 TRP 14 HD1 TRP 14 -6.724 -0.963 10.690 111 HE1 TRP 14 HE1 TRP 14 -6.800 -1.841 13.109 112 HE3 TRP 14 HE3 TRP 14 -10.719 1.713 12.400 113 HZ2 TRP 14 HZ2 TRP 14 -8.349 -1.455 15.440 114 HZ3 TRP 14 HZ3 TRP 14 -11.450 1.408 14.740 115 HH2 TRP 14 HH2 TRP 14 -10.285 -0.150 16.231 116 H HIS 15 H HIS 15 -11.808 1.731 8.962 117 HA HIS 15 HA HIS 15 -13.415 0.646 11.009 118 HB2 HIS 15 HB2 HIS 15 -13.943 2.868 10.178 119 HB3 HIS 15 HB3 HIS 15 -14.233 2.250 8.550 120 HD1 HIS 15 HD1 HIS 15 -15.680 1.851 12.052 121 HD2 HIS 15 HD2 HIS 15 -16.890 1.658 8.081 122 HE1 HIS 15 HE1 HIS 15 -18.130 1.326 12.126 123 HE2 HIS 15 HE2 HIS 15 -18.775 0.984 9.725 124 H ALA 16 H ALA 16 -13.623 0.084 7.461 125 HA ALA 16 HA ALA 16 -15.702 -1.870 7.539 126 HB1 ALA 16 HB1 ALA 16 -13.575 -1.438 5.410 127 HB2 ALA 16 HB2 ALA 16 -15.128 -0.608 5.496 128 HB3 ALA 16 HB3 ALA 16 -15.078 -2.347 5.199 129 H LEU 17 H LEU 17 -12.236 -2.073 7.839 130 HA LEU 17 HA LEU 17 -11.845 -4.876 7.620 131 HB2 LEU 17 HB2 LEU 17 -10.059 -3.306 7.224 132 HB3 LEU 17 HB3 LEU 17 -10.248 -2.580 8.798 133 HG LEU 17 HG LEU 17 -8.175 -4.083 8.300 134 HD11 LEU 17 HD11 LEU 17 -7.971 -4.778 10.621 135 HD12 LEU 17 HD12 LEU 17 -9.697 -4.509 10.880 136 HD13 LEU 17 HD13 LEU 17 -8.637 -3.149 10.501 137 HD21 LEU 17 HD21 LEU 17 -8.420 -6.448 8.738 138 HD22 LEU 17 HD22 LEU 17 -9.414 -5.981 7.367 139 HD23 LEU 17 HD23 LEU 17 -10.164 -6.274 8.940 140 H ASN 18 H ASN 18 -12.183 -2.728 10.465 141 HA ASN 18 HA ASN 18 -11.918 -4.823 12.415 142 HB2 ASN 18 HB2 ASN 18 -11.236 -2.434 12.815 143 HB3 ASN 18 HB3 ASN 18 -12.930 -1.963 12.813 144 HD21 ASN 18 HD21 ASN 18 -14.256 -2.658 14.598 145 HD22 ASN 18 HD22 ASN 18 -13.546 -3.156 16.090 146 H GLU 19 H GLU 19 -14.538 -3.455 10.642 147 HA GLU 19 HA GLU 19 -16.725 -4.317 12.339 148 HB2 GLU 19 HB2 GLU 19 -16.820 -2.285 10.882 149 HB3 GLU 19 HB3 GLU 19 -16.670 -3.305 9.458 150 HG2 GLU 19 HG2 GLU 19 -18.858 -4.343 9.988 151 HG3 GLU 19 HG3 GLU 19 -19.000 -3.304 11.404 152 H ALA 20 H ALA 20 -15.065 -5.431 9.408 153 HA ALA 20 HA ALA 20 -15.924 -8.178 9.780 154 HB1 ALA 20 HB1 ALA 20 -17.861 -7.251 8.546 155 HB2 ALA 20 HB2 ALA 20 -16.989 -8.428 7.564 156 HB3 ALA 20 HB3 ALA 20 -16.788 -6.701 7.258 157 H ASP 21 H ASP 21 -13.836 -8.956 9.755 158 HA ASP 21 HA ASP 21 -11.926 -8.127 7.680 159 HB2 ASP 21 HB2 ASP 21 -10.232 -9.242 9.042 160 HB3 ASP 21 HB3 ASP 21 -11.170 -8.135 10.031 161 H GLY 22 H GLY 22 -10.466 -9.905 6.780 162 HA2 GLY 22 HA2 GLY 22 -10.197 -11.993 5.724 163 HA3 GLY 22 HA3 GLY 22 -11.840 -12.439 6.168 164 H ILE 23 H ILE 23 -10.074 -10.078 4.170 165 HA ILE 23 HA ILE 23 -11.731 -10.540 1.834 166 HB ILE 23 HB ILE 23 -13.145 -9.010 3.180 167 HG12 ILE 23 HG12 ILE 23 -11.995 -7.591 0.740 168 HG13 ILE 23 HG13 ILE 23 -13.183 -8.888 0.679 169 HG21 ILE 23 HG21 ILE 23 -11.416 -7.845 4.475 170 HG22 ILE 23 HG22 ILE 23 -12.467 -6.685 3.660 171 HG23 ILE 23 HG23 ILE 23 -10.856 -7.015 3.020 172 HD11 ILE 23 HD11 ILE 23 -14.778 -7.478 1.865 173 HD12 ILE 23 HD12 ILE 23 -14.205 -6.728 0.376 174 HD13 ILE 23 HD13 ILE 23 -13.580 -6.182 1.929 175 H SER 24 H SER 24 -10.815 -9.658 -0.101 176 HA SER 24 HA SER 24 -7.977 -8.969 0.027 177 HB2 SER 24 HB2 SER 24 -9.802 -9.463 -2.365 178 HB3 SER 24 HB3 SER 24 -8.064 -9.167 -2.471 179 HG SER 24 HG SER 24 -7.884 -11.067 -1.016 180 H ILE 25 H ILE 25 -7.082 -7.167 -1.244 181 HA ILE 25 HA ILE 25 -7.973 -4.693 -0.375 182 HB ILE 25 HB ILE 25 -6.103 -5.273 -2.709 183 HG12 ILE 25 HG12 ILE 25 -5.456 -4.612 0.204 184 HG13 ILE 25 HG13 ILE 25 -5.345 -6.207 -0.526 185 HG21 ILE 25 HG21 ILE 25 -6.490 -2.631 -1.253 186 HG22 ILE 25 HG22 ILE 25 -6.903 -2.976 -2.936 187 HG23 ILE 25 HG23 ILE 25 -5.217 -2.973 -2.424 188 HD11 ILE 25 HD11 ILE 25 -3.154 -5.215 -0.293 189 HD12 ILE 25 HD12 ILE 25 -3.644 -3.809 -1.234 190 HD13 ILE 25 HD13 ILE 25 -3.547 -5.395 -2.002 191 HA PRO 26 HA PRO 26 -9.686 -3.466 -4.782 192 HB2 PRO 26 HB2 PRO 26 -10.465 -5.417 -6.573 193 HB3 PRO 26 HB3 PRO 26 -8.834 -4.733 -6.530 194 HG2 PRO 26 HG2 PRO 26 -9.846 -7.291 -5.290 195 HG3 PRO 26 HG3 PRO 26 -8.370 -7.023 -6.246 196 HD2 PRO 26 HD2 PRO 26 -8.286 -7.134 -3.545 197 HD3 PRO 26 HD3 PRO 26 -7.233 -6.024 -4.450 198 H GLU 27 H GLU 27 -11.045 -6.271 -3.172 199 HA GLU 27 HA GLU 27 -13.810 -5.767 -3.841 200 HB2 GLU 27 HB2 GLU 27 -12.784 -8.021 -3.217 201 HB3 GLU 27 HB3 GLU 27 -12.662 -7.435 -1.560 202 HG2 GLU 27 HG2 GLU 27 -14.620 -8.880 -1.863 203 HG3 GLU 27 HG3 GLU 27 -15.096 -7.240 -1.417 204 H LEU 28 H LEU 28 -11.740 -5.378 -1.053 205 HA LEU 28 HA LEU 28 -13.344 -3.992 0.771 206 HB2 LEU 28 HB2 LEU 28 -11.260 -5.111 1.329 207 HB3 LEU 28 HB3 LEU 28 -10.360 -4.086 0.227 208 HG LEU 28 HG LEU 28 -10.770 -2.147 1.729 209 HD11 LEU 28 HD11 LEU 28 -12.840 -2.845 2.828 210 HD12 LEU 28 HD12 LEU 28 -11.591 -2.500 4.021 211 HD13 LEU 28 HD13 LEU 28 -11.993 -4.174 3.629 212 HD21 LEU 28 HD21 LEU 28 -8.693 -3.423 1.829 213 HD22 LEU 28 HD22 LEU 28 -9.406 -4.539 2.998 214 HD23 LEU 28 HD23 LEU 28 -9.140 -2.849 3.440 215 H ALA 29 H ALA 29 -11.418 -2.855 -1.960 216 HA ALA 29 HA ALA 29 -11.357 -0.087 -1.498 217 HB1 ALA 29 HB1 ALA 29 -9.931 -1.211 -3.156 218 HB2 ALA 29 HB2 ALA 29 -10.816 0.128 -3.887 219 HB3 ALA 29 HB3 ALA 29 -11.342 -1.535 -4.166 220 H ARG 30 H ARG 30 -13.791 -2.060 -3.203 221 HA ARG 30 HA ARG 30 -15.421 0.144 -4.057 222 HB2 ARG 30 HB2 ARG 30 -16.011 -2.833 -3.863 223 HB3 ARG 30 HB3 ARG 30 -17.152 -1.661 -4.522 224 HG2 ARG 30 HG2 ARG 30 -15.439 -1.053 -6.253 225 HG3 ARG 30 HG3 ARG 30 -14.412 -2.354 -5.642 226 HD2 ARG 30 HD2 ARG 30 -15.709 -3.020 -7.660 227 HD3 ARG 30 HD3 ARG 30 -16.098 -4.014 -6.256 228 HE ARG 30 HE ARG 30 -18.149 -2.708 -6.000 229 HH11 ARG 30 HH11 ARG 30 -16.644 -2.457 -9.118 230 HH12 ARG 30 HH12 ARG 30 -18.116 -1.995 -9.889 231 HH21 ARG 30 HH21 ARG 30 -19.987 -2.133 -7.009 232 HH22 ARG 30 HH22 ARG 30 -19.996 -1.823 -8.711 233 H LYS 31 H LYS 31 -15.315 -1.792 -1.107 234 HA LYS 31 HA LYS 31 -17.846 -1.071 0.001 235 HB2 LYS 31 HB2 LYS 31 -15.254 -1.773 1.451 236 HB3 LYS 31 HB3 LYS 31 -16.860 -1.742 2.184 237 HG2 LYS 31 HG2 LYS 31 -17.560 -3.593 0.705 238 HG3 LYS 31 HG3 LYS 31 -15.949 -3.617 -0.022 239 HD2 LYS 31 HD2 LYS 31 -16.118 -5.383 1.651 240 HD3 LYS 31 HD3 LYS 31 -14.967 -4.162 2.193 241 HE2 LYS 31 HE2 LYS 31 -16.349 -4.843 4.069 242 HE3 LYS 31 HE3 LYS 31 -16.761 -3.184 3.642 243 HZ1 LYS 31 HZ1 LYS 31 -18.291 -5.611 2.869 244 HZ2 LYS 31 HZ2 LYS 31 -18.691 -4.025 2.441 245 HZ3 LYS 31 HZ3 LYS 31 -18.730 -4.496 4.062 246 H VAL 32 H VAL 32 -14.569 0.224 0.556 247 HA VAL 32 HA VAL 32 -15.466 2.521 2.080 248 HB VAL 32 HB VAL 32 -13.079 3.133 2.175 249 HG11 VAL 32 HG11 VAL 32 -12.239 1.132 3.373 250 HG12 VAL 32 HG12 VAL 32 -13.541 0.162 2.680 251 HG13 VAL 32 HG13 VAL 32 -13.918 1.482 3.792 252 HG21 VAL 32 HG21 VAL 32 -11.329 1.739 1.091 253 HG22 VAL 32 HG22 VAL 32 -12.379 2.495 -0.108 254 HG23 VAL 32 HG23 VAL 32 -12.582 0.788 0.284 255 H ASN 33 H ASN 33 -15.353 1.835 -1.203 256 HA ASN 33 HA ASN 33 -15.947 2.956 -3.047 257 HB2 ASN 33 HB2 ASN 33 -17.599 4.046 -1.501 258 HB3 ASN 33 HB3 ASN 33 -16.453 5.354 -1.234 259 HD21 ASN 33 HD21 ASN 33 -18.423 3.757 -3.701 260 HD22 ASN 33 HD22 ASN 33 -18.575 5.139 -4.718 261 H LEU 34 H LEU 34 -13.142 3.144 -1.788 262 HA LEU 34 HA LEU 34 -11.984 5.392 -3.316 263 HB2 LEU 34 HB2 LEU 34 -10.550 3.424 -1.481 264 HB3 LEU 34 HB3 LEU 34 -9.922 4.946 -2.101 265 HG LEU 34 HG LEU 34 -12.165 4.634 -0.057 266 HD11 LEU 34 HD11 LEU 34 -9.320 5.622 0.320 267 HD12 LEU 34 HD12 LEU 34 -9.977 4.076 0.866 268 HD13 LEU 34 HD13 LEU 34 -10.582 5.578 1.557 269 HD21 LEU 34 HD21 LEU 34 -12.565 6.622 -1.434 270 HD22 LEU 34 HD22 LEU 34 -10.928 7.203 -1.118 271 HD23 LEU 34 HD23 LEU 34 -12.094 7.082 0.202 272 H SER 35 H SER 35 -10.076 4.931 -4.717 273 HA SER 35 HA SER 35 -10.350 2.695 -6.465 274 HB2 SER 35 HB2 SER 35 -8.010 4.618 -6.119 275 HB3 SER 35 HB3 SER 35 -8.174 3.466 -7.445 276 HG SER 35 HG SER 35 -10.281 5.254 -6.940 277 H VAL 36 H VAL 36 -8.878 0.911 -6.815 278 HA VAL 36 HA VAL 36 -8.208 -0.614 -4.573 279 HB VAL 36 HB VAL 36 -6.987 -0.871 -7.354 280 HG11 VAL 36 HG11 VAL 36 -5.729 -2.215 -5.721 281 HG12 VAL 36 HG12 VAL 36 -6.646 -3.268 -6.801 282 HG13 VAL 36 HG13 VAL 36 -7.227 -2.971 -5.160 283 HG21 VAL 36 HG21 VAL 36 -8.812 -2.471 -7.823 284 HG22 VAL 36 HG22 VAL 36 -9.443 -0.863 -7.452 285 HG23 VAL 36 HG23 VAL 36 -9.508 -2.141 -6.234 286 H GLU 37 H GLU 37 -6.044 1.332 -6.630 287 HA GLU 37 HA GLU 37 -3.576 0.896 -5.339 288 HB2 GLU 37 HB2 GLU 37 -4.489 3.445 -6.750 289 HB3 GLU 37 HB3 GLU 37 -2.814 2.992 -6.436 290 HG2 GLU 37 HG2 GLU 37 -3.097 1.031 -7.927 291 HG3 GLU 37 HG3 GLU 37 -4.752 1.528 -8.255 292 H SER 38 H SER 38 -6.065 3.360 -4.701 293 HA SER 38 HA SER 38 -4.716 4.838 -2.677 294 HB2 SER 38 HB2 SER 38 -6.666 5.775 -3.867 295 HB3 SER 38 HB3 SER 38 -7.713 4.537 -3.175 296 HG SER 38 HG SER 38 -8.011 6.065 -1.726 297 H THR 39 H THR 39 -6.974 2.104 -2.528 298 HA THR 39 HA THR 39 -7.180 1.969 0.316 299 HB THR 39 HB THR 39 -7.848 -0.148 -1.771 300 HG1 THR 39 HG1 THR 39 -10.035 0.922 -0.835 301 HG21 THR 39 HG21 THR 39 -9.375 -1.105 -0.075 302 HG22 THR 39 HG22 THR 39 -8.805 0.068 1.115 303 HG23 THR 39 HG23 THR 39 -7.702 -1.161 0.492 304 H ALA 40 H ALA 40 -5.104 0.303 -2.062 305 HA ALA 40 HA ALA 40 -3.923 -1.649 -0.356 306 HB1 ALA 40 HB1 ALA 40 -2.789 -0.364 -2.870 307 HB2 ALA 40 HB2 ALA 40 -3.830 -1.787 -2.820 308 HB3 ALA 40 HB3 ALA 40 -2.209 -1.861 -2.127 309 H LEU 41 H LEU 41 -2.870 1.560 -1.367 310 HA LEU 41 HA LEU 41 -0.499 1.802 0.149 311 HB2 LEU 41 HB2 LEU 41 -0.864 3.149 -1.796 312 HB3 LEU 41 HB3 LEU 41 -2.398 3.737 -1.211 313 HG LEU 41 HG LEU 41 -0.423 5.387 -1.352 314 HD11 LEU 41 HD11 LEU 41 -2.539 5.904 -0.257 315 HD12 LEU 41 HD12 LEU 41 -1.171 6.667 0.540 316 HD13 LEU 41 HD13 LEU 41 -1.926 5.245 1.264 317 HD21 LEU 41 HD21 LEU 41 0.427 4.025 1.220 318 HD22 LEU 41 HD22 LEU 41 1.089 5.525 0.564 319 HD23 LEU 41 HD23 LEU 41 1.310 4.008 -0.310 320 H ALA 42 H ALA 42 -3.890 2.534 0.881 321 HA ALA 42 HA ALA 42 -3.467 3.820 3.400 322 HB1 ALA 42 HB1 ALA 42 -5.910 3.588 3.687 323 HB2 ALA 42 HB2 ALA 42 -5.975 2.511 2.289 324 HB3 ALA 42 HB3 ALA 42 -5.495 4.197 2.083 325 H VAL 43 H VAL 43 -4.166 0.400 2.520 326 HA VAL 43 HA VAL 43 -4.300 -0.650 5.160 327 HB VAL 43 HB VAL 43 -3.531 -2.057 2.556 328 HG11 VAL 43 HG11 VAL 43 -4.008 -4.199 3.714 329 HG12 VAL 43 HG12 VAL 43 -4.240 -3.327 5.232 330 HG13 VAL 43 HG13 VAL 43 -2.653 -3.350 4.463 331 HG21 VAL 43 HG21 VAL 43 -6.185 -2.027 4.050 332 HG22 VAL 43 HG22 VAL 43 -5.844 -2.940 2.577 333 HG23 VAL 43 HG23 VAL 43 -5.841 -1.177 2.543 334 H GLY 44 H GLY 44 -1.597 -0.117 2.914 335 HA2 GLY 44 HA2 GLY 44 0.532 -1.157 4.462 336 HA3 GLY 44 HA3 GLY 44 0.668 0.105 3.242 337 H TRP 45 H TRP 45 -1.126 1.966 4.540 338 HA TRP 45 HA TRP 45 0.576 3.207 6.492 339 HB2 TRP 45 HB2 TRP 45 -0.820 4.530 4.916 340 HB3 TRP 45 HB3 TRP 45 -2.278 3.913 5.683 341 HD1 TRP 45 HD1 TRP 45 -3.187 5.323 7.711 342 HE1 TRP 45 HE1 TRP 45 -2.342 7.354 9.027 343 HE3 TRP 45 HE3 TRP 45 1.576 5.575 5.865 344 HZ2 TRP 45 HZ2 TRP 45 0.011 8.869 9.271 345 HZ3 TRP 45 HZ3 TRP 45 3.062 7.345 6.708 346 HH2 TRP 45 HH2 TRP 45 2.301 8.956 8.376 347 H LEU 46 H LEU 46 -2.306 1.129 6.717 348 HA LEU 46 HA LEU 46 -2.686 1.444 9.557 349 HB2 LEU 46 HB2 LEU 46 -3.569 -0.753 7.652 350 HB3 LEU 46 HB3 LEU 46 -4.045 -0.688 9.347 351 HG LEU 46 HG LEU 46 -4.720 1.400 7.232 352 HD11 LEU 46 HD11 LEU 46 -5.983 -0.667 6.904 353 HD12 LEU 46 HD12 LEU 46 -7.033 0.637 7.454 354 HD13 LEU 46 HD13 LEU 46 -6.534 -0.625 8.585 355 HD21 LEU 46 HD21 LEU 46 -5.527 1.292 10.164 356 HD22 LEU 46 HD22 LEU 46 -6.106 2.460 8.972 357 HD23 LEU 46 HD23 LEU 46 -4.406 2.442 9.426 358 H ALA 47 H ALA 47 -0.781 -0.763 7.572 359 HA ALA 47 HA ALA 47 0.160 -2.588 9.444 360 HB1 ALA 47 HB1 ALA 47 2.037 -2.975 7.903 361 HB2 ALA 47 HB2 ALA 47 1.673 -1.462 7.070 362 HB3 ALA 47 HB3 ALA 47 0.520 -2.797 7.016 363 H ARG 48 H ARG 48 1.033 0.797 9.141 364 HA ARG 48 HA ARG 48 3.662 0.854 10.068 365 HB2 ARG 48 HB2 ARG 48 3.416 3.210 10.383 366 HB3 ARG 48 HB3 ARG 48 2.368 2.790 9.036 367 HG2 ARG 48 HG2 ARG 48 0.407 2.912 10.510 368 HG3 ARG 48 HG3 ARG 48 1.445 3.262 11.884 369 HD2 ARG 48 HD2 ARG 48 1.179 5.032 9.435 370 HD3 ARG 48 HD3 ARG 48 0.315 5.276 10.957 371 HE ARG 48 HE ARG 48 3.248 5.204 11.027 372 HH11 ARG 48 HH11 ARG 48 0.366 7.097 11.318 373 HH12 ARG 48 HH12 ARG 48 1.213 8.486 11.899 374 HH21 ARG 48 HH21 ARG 48 4.291 6.990 11.809 375 HH22 ARG 48 HH22 ARG 48 3.401 8.424 12.168 376 H GLU 49 H GLU 49 0.678 0.771 11.966 377 HA GLU 49 HA GLU 49 2.183 0.741 14.527 378 HB2 GLU 49 HB2 GLU 49 -0.704 1.530 13.935 379 HB3 GLU 49 HB3 GLU 49 -0.013 1.451 15.555 380 HG2 GLU 49 HG2 GLU 49 1.537 3.246 15.033 381 HG3 GLU 49 HG3 GLU 49 1.022 3.256 13.356 382 H ASN 50 H ASN 50 1.348 -1.460 12.505 383 HA ASN 50 HA ASN 50 0.756 -3.644 12.485 384 HB2 ASN 50 HB2 ASN 50 2.363 -3.478 14.551 385 HB3 ASN 50 HB3 ASN 50 0.919 -3.654 15.527 386 HD21 ASN 50 HD21 ASN 50 -0.210 -5.629 13.460 387 HD22 ASN 50 HD22 ASN 50 0.642 -7.079 13.806 388 H LYS 51 H LYS 51 -1.388 -1.993 12.193 389 HA LYS 51 HA LYS 51 -3.507 -2.637 14.089 390 HB2 LYS 51 HB2 LYS 51 -3.560 -0.949 11.554 391 HB3 LYS 51 HB3 LYS 51 -4.862 -1.055 12.743 392 HG2 LYS 51 HG2 LYS 51 -3.361 -0.082 14.462 393 HG3 LYS 51 HG3 LYS 51 -2.069 0.029 13.264 394 HD2 LYS 51 HD2 LYS 51 -3.107 2.217 13.543 395 HD3 LYS 51 HD3 LYS 51 -3.473 1.605 11.928 396 HE2 LYS 51 HE2 LYS 51 -5.445 2.668 12.994 397 HE3 LYS 51 HE3 LYS 51 -5.725 0.962 12.659 398 HZ1 LYS 51 HZ1 LYS 51 -5.323 0.452 14.968 399 HZ2 LYS 51 HZ2 LYS 51 -6.522 1.639 14.852 400 HZ3 LYS 51 HZ3 LYS 51 -4.950 2.069 15.305 401 H VAL 52 H VAL 52 -2.327 -4.043 11.214 402 HA VAL 52 HA VAL 52 -4.782 -5.648 10.812 403 HB VAL 52 HB VAL 52 -4.389 -5.609 8.317 404 HG11 VAL 52 HG11 VAL 52 -5.377 -3.381 7.906 405 HG12 VAL 52 HG12 VAL 52 -4.936 -2.872 9.536 406 HG13 VAL 52 HG13 VAL 52 -6.121 -4.159 9.306 407 HG21 VAL 52 HG21 VAL 52 -1.999 -4.965 8.289 408 HG22 VAL 52 HG22 VAL 52 -2.402 -3.371 8.932 409 HG23 VAL 52 HG23 VAL 52 -2.953 -3.836 7.320 410 H VAL 53 H VAL 53 -4.482 -7.767 10.109 411 HA VAL 53 HA VAL 53 -1.778 -8.963 10.152 412 HB VAL 53 HB VAL 53 -4.503 -10.367 10.225 413 HG11 VAL 53 HG11 VAL 53 -3.248 -12.384 10.935 414 HG12 VAL 53 HG12 VAL 53 -1.727 -11.508 10.741 415 HG13 VAL 53 HG13 VAL 53 -2.742 -11.834 9.334 416 HG21 VAL 53 HG21 VAL 53 -4.205 -9.033 12.268 417 HG22 VAL 53 HG22 VAL 53 -2.648 -9.810 12.564 418 HG23 VAL 53 HG23 VAL 53 -4.135 -10.763 12.628 419 H ILE 54 H ILE 54 -0.893 -9.152 8.085 420 HA ILE 54 HA ILE 54 -2.693 -9.392 5.751 421 HB ILE 54 HB ILE 54 0.263 -8.645 5.873 422 HG12 ILE 54 HG12 ILE 54 -1.160 -6.856 6.785 423 HG13 ILE 54 HG13 ILE 54 -0.518 -6.358 5.223 424 HG21 ILE 54 HG21 ILE 54 -0.194 -9.775 3.744 425 HG22 ILE 54 HG22 ILE 54 0.069 -8.055 3.468 426 HG23 ILE 54 HG23 ILE 54 -1.570 -8.709 3.441 427 HD11 ILE 54 HD11 ILE 54 -3.314 -7.371 5.753 428 HD12 ILE 54 HD12 ILE 54 -2.677 -6.878 4.181 429 HD13 ILE 54 HD13 ILE 54 -2.831 -5.698 5.480 430 H GLU 55 H GLU 55 -3.122 -11.437 5.226 431 HA GLU 55 HA GLU 55 -1.059 -13.565 5.342 432 HB2 GLU 55 HB2 GLU 55 -4.106 -13.685 5.183 433 HB3 GLU 55 HB3 GLU 55 -3.063 -15.103 5.111 434 HG2 GLU 55 HG2 GLU 55 -3.279 -13.192 7.460 435 HG3 GLU 55 HG3 GLU 55 -4.068 -14.762 7.341 436 H ARG 56 H ARG 56 -0.257 -14.358 3.426 437 HA ARG 56 HA ARG 56 -1.575 -13.545 0.890 438 HB2 ARG 56 HB2 ARG 56 1.385 -13.963 1.484 439 HB3 ARG 56 HB3 ARG 56 0.726 -13.658 -0.123 440 HG2 ARG 56 HG2 ARG 56 -0.110 -11.462 0.611 441 HG3 ARG 56 HG3 ARG 56 0.491 -11.759 2.244 442 HD2 ARG 56 HD2 ARG 56 2.790 -11.743 1.453 443 HD3 ARG 56 HD3 ARG 56 2.257 -11.631 -0.232 444 HE ARG 56 HE ARG 56 2.067 -9.502 1.811 445 HH11 ARG 56 HH11 ARG 56 1.852 -10.421 -1.515 446 HH12 ARG 56 HH12 ARG 56 1.813 -8.794 -2.080 447 HH21 ARG 56 HH21 ARG 56 1.987 -7.408 1.067 448 HH22 ARG 56 HH22 ARG 56 1.872 -7.098 -0.626 449 H LYS 57 H LYS 57 -2.723 -15.233 0.198 450 HA LYS 57 HA LYS 57 -1.461 -17.925 -0.005 451 HB2 LYS 57 HB2 LYS 57 -4.367 -17.111 0.341 452 HB3 LYS 57 HB3 LYS 57 -3.973 -18.646 -0.415 453 HG2 LYS 57 HG2 LYS 57 -4.451 -19.070 1.880 454 HG3 LYS 57 HG3 LYS 57 -2.720 -19.304 1.639 455 HD2 LYS 57 HD2 LYS 57 -2.247 -17.139 2.688 456 HD3 LYS 57 HD3 LYS 57 -3.976 -16.795 2.822 457 HE2 LYS 57 HE2 LYS 57 -4.229 -18.735 4.349 458 HE3 LYS 57 HE3 LYS 57 -2.494 -19.049 4.224 459 HZ1 LYS 57 HZ1 LYS 57 -2.091 -16.862 5.179 460 HZ2 LYS 57 HZ2 LYS 57 -3.010 -17.827 6.218 461 HZ3 LYS 57 HZ3 LYS 57 -3.756 -16.602 5.319 462 H ASN 58 H ASN 58 -0.822 -18.450 -2.015 463 HA ASN 58 HA ASN 58 -0.541 -18.543 -4.274 464 HB2 ASN 58 HB2 ASN 58 -3.550 -18.027 -4.368 465 HB3 ASN 58 HB3 ASN 58 -2.580 -18.724 -5.664 466 HD21 ASN 58 HD21 ASN 58 -3.994 -19.297 -2.528 467 HD22 ASN 58 HD22 ASN 58 -3.801 -21.013 -2.528 468 H GLY 59 H GLY 59 -0.087 -15.938 -3.073 469 HA2 GLY 59 HA2 GLY 59 0.635 -13.891 -3.901 470 HA3 GLY 59 HA3 GLY 59 -0.124 -14.252 -5.439 471 H LEU 60 H LEU 60 -2.550 -14.793 -3.304 472 HA LEU 60 HA LEU 60 -3.804 -12.190 -3.770 473 HB2 LEU 60 HB2 LEU 60 -4.954 -14.717 -2.497 474 HB3 LEU 60 HB3 LEU 60 -5.869 -13.299 -2.996 475 HG LEU 60 HG LEU 60 -4.391 -15.201 -4.867 476 HD11 LEU 60 HD11 LEU 60 -7.377 -14.896 -4.398 477 HD12 LEU 60 HD12 LEU 60 -6.369 -16.251 -3.883 478 HD13 LEU 60 HD13 LEU 60 -6.612 -15.944 -5.599 479 HD21 LEU 60 HD21 LEU 60 -4.400 -12.928 -5.779 480 HD22 LEU 60 HD22 LEU 60 -6.148 -12.815 -5.561 481 HD23 LEU 60 HD23 LEU 60 -5.472 -13.972 -6.712 482 H ILE 61 H ILE 61 -3.935 -10.642 -2.237 483 HA ILE 61 HA ILE 61 -2.842 -11.088 0.431 484 HB ILE 61 HB ILE 61 -3.749 -8.502 -0.932 485 HG12 ILE 61 HG12 ILE 61 -1.232 -7.942 -0.779 486 HG13 ILE 61 HG13 ILE 61 -0.964 -9.627 -0.356 487 HG21 ILE 61 HG21 ILE 61 -2.757 -7.275 0.987 488 HG22 ILE 61 HG22 ILE 61 -2.471 -8.809 1.812 489 HG23 ILE 61 HG23 ILE 61 -4.121 -8.283 1.479 490 HD11 ILE 61 HD11 ILE 61 -2.103 -8.599 -2.956 491 HD12 ILE 61 HD12 ILE 61 -1.833 -10.297 -2.550 492 HD13 ILE 61 HD13 ILE 61 -0.465 -9.193 -2.682 493 H GLU 62 H GLU 62 -4.050 -11.434 2.169 494 HA GLU 62 HA GLU 62 -6.942 -10.832 2.242 495 HB2 GLU 62 HB2 GLU 62 -5.384 -12.770 4.020 496 HB3 GLU 62 HB3 GLU 62 -7.131 -12.556 3.967 497 HG2 GLU 62 HG2 GLU 62 -7.057 -13.438 1.590 498 HG3 GLU 62 HG3 GLU 62 -5.357 -13.830 1.859 499 H ILE 63 H ILE 63 -7.598 -9.304 3.720 500 HA ILE 63 HA ILE 63 -5.601 -8.186 5.599 501 HB ILE 63 HB ILE 63 -8.046 -6.740 4.443 502 HG12 ILE 63 HG12 ILE 63 -6.263 -5.260 3.294 503 HG13 ILE 63 HG13 ILE 63 -5.092 -6.512 3.680 504 HG21 ILE 63 HG21 ILE 63 -7.434 -5.947 6.695 505 HG22 ILE 63 HG22 ILE 63 -7.100 -4.710 5.489 506 HG23 ILE 63 HG23 ILE 63 -5.777 -5.663 6.166 507 HD11 ILE 63 HD11 ILE 63 -7.489 -6.769 1.876 508 HD12 ILE 63 HD12 ILE 63 -6.382 -8.080 2.289 509 HD13 ILE 63 HD13 ILE 63 -5.794 -6.678 1.400 510 H TYR 64 H TYR 64 -5.925 -9.126 7.476 511 HA TYR 64 HA TYR 64 -8.620 -9.375 8.700 512 HB2 TYR 64 HB2 TYR 64 -5.985 -10.707 9.476 513 HB3 TYR 64 HB3 TYR 64 -7.516 -10.941 10.306 514 HD1 TYR 64 HD2 TYR 64 -9.411 -12.103 9.104 515 HD2 TYR 64 HD1 TYR 64 -5.470 -11.974 7.465 516 HE1 TYR 64 HE2 TYR 64 -9.984 -13.941 7.593 517 HE2 TYR 64 HE1 TYR 64 -6.053 -13.824 5.953 518 HH TYR 64 HH TYR 64 -9.071 -14.700 5.219 519 H ASN 65 H ASN 65 -8.675 -8.915 11.146 520 HA ASN 65 HA ASN 65 -7.226 -6.420 11.731 521 HB2 ASN 65 HB2 ASN 65 -8.755 -6.112 13.604 522 HB3 ASN 65 HB3 ASN 65 -9.678 -6.500 12.162 523 HD21 ASN 65 HD21 ASN 65 -10.882 -8.393 12.124 524 HD22 ASN 65 HD22 ASN 65 -11.093 -9.401 13.504 525 H GLU 66 H GLU 66 -5.902 -6.090 13.553 526 HA GLU 66 HA GLU 66 -4.458 -8.463 14.438 527 HB2 GLU 66 HB2 GLU 66 -3.301 -6.369 13.651 528 HB3 GLU 66 HB3 GLU 66 -3.857 -5.557 15.106 529 HG2 GLU 66 HG2 GLU 66 -1.516 -6.282 15.305 530 HG3 GLU 66 HG3 GLU 66 -2.544 -7.067 16.500 531 H GLY 67 H GLY 67 -7.202 -6.984 15.643 532 HA2 GLY 67 HA2 GLY 67 -6.955 -7.398 18.436 533 HA3 GLY 67 HA3 GLY 67 -8.438 -7.611 17.495 534 H HIS 68 H HIS 68 -8.348 -9.595 16.019 535 HA HIS 68 HA HIS 68 -6.505 -11.671 16.316 536 HB2 HIS 68 HB2 HIS 68 -7.695 -12.083 18.481 537 HB3 HIS 68 HB3 HIS 68 -9.193 -12.330 17.596 538 HD1 HIS 68 HD1 HIS 68 -9.690 -14.757 17.337 539 HD2 HIS 68 HD2 HIS 68 -5.591 -14.053 17.382 540 HE1 HIS 68 HE1 HIS 68 -8.618 -17.017 17.162 541 HE2 HIS 68 HE2 HIS 68 -6.157 -16.583 17.358 542 H PHE 69 H PHE 69 -6.461 -12.420 14.295 543 HA PHE 69 HA PHE 69 -8.608 -12.335 12.422 544 HB2 PHE 69 HB2 PHE 69 -7.133 -13.601 10.940 545 HB3 PHE 69 HB3 PHE 69 -6.180 -12.383 11.775 546 HD1 PHE 69 HD2 PHE 69 -4.721 -13.118 13.766 547 HD2 PHE 69 HD1 PHE 69 -6.536 -15.925 11.090 548 HE1 PHE 69 HE2 PHE 69 -3.169 -14.867 14.536 549 HE2 PHE 69 HE1 PHE 69 -4.982 -17.665 11.873 550 HZ PHE 69 HZ PHE 69 -3.300 -17.137 13.591 551 H ASP 70 H ASP 70 -10.036 -13.995 11.737 552 HA ASP 70 HA ASP 70 -10.201 -16.402 13.456 553 HB2 ASP 70 HB2 ASP 70 -12.248 -14.971 13.216 554 HB3 ASP 70 HB3 ASP 70 -12.263 -15.327 11.493 555 H PHE 71 H PHE 71 -10.529 -15.554 10.002 556 HA PHE 71 HA PHE 71 -10.106 -18.341 9.182 557 HB2 PHE 71 HB2 PHE 71 -10.822 -15.881 7.523 558 HB3 PHE 71 HB3 PHE 71 -10.813 -17.543 6.946 559 HD1 PHE 71 HD1 PHE 71 -12.526 -19.175 7.821 560 HD2 PHE 71 HD2 PHE 71 -12.735 -14.990 8.686 561 HE1 PHE 71 HE1 PHE 71 -14.898 -19.416 8.438 562 HE2 PHE 71 HE2 PHE 71 -15.105 -15.242 9.304 563 HZ PHE 71 HZ PHE 71 -16.188 -17.453 9.181 564 H SER 72 H SER 72 -8.754 -18.734 7.247 565 HA SER 72 HA SER 72 -6.973 -16.804 6.103 566 HB2 SER 72 HB2 SER 72 -5.771 -18.983 7.862 567 HB3 SER 72 HB3 SER 72 -4.866 -18.297 6.517 568 HG SER 72 HG SER 72 -5.898 -16.315 8.005 569 H PHE 73 H PHE 73 -7.707 -17.316 4.049 570 HA PHE 73 HA PHE 73 -7.784 -20.174 3.254 571 HB2 PHE 73 HB2 PHE 73 -10.018 -19.733 2.119 572 HB3 PHE 73 HB3 PHE 73 -10.042 -19.796 3.873 573 HD1 PHE 73 HD1 PHE 73 -10.224 -17.606 5.173 574 HD2 PHE 73 HD2 PHE 73 -10.842 -17.772 0.944 575 HE1 PHE 73 HE1 PHE 73 -11.415 -15.452 5.256 576 HE2 PHE 73 HE2 PHE 73 -12.032 -15.616 1.044 577 HZ PHE 73 HZ PHE 73 -12.318 -14.458 3.198 578 H GLY 74 H GLY 74 -8.474 -16.987 1.678 579 HA2 GLY 74 HA2 GLY 74 -8.141 -16.275 -0.479 580 HA3 GLY 74 HA3 GLY 74 -6.505 -16.843 -0.214 581 H LEU 75 H LEU 75 -9.594 -18.630 -0.658 582 HA LEU 75 HA LEU 75 -8.216 -20.366 -2.602 583 HB2 LEU 75 HB2 LEU 75 -9.476 -22.209 -1.928 584 HB3 LEU 75 HB3 LEU 75 -9.110 -21.379 -0.432 585 HG LEU 75 HG LEU 75 -11.804 -21.322 -1.857 586 HD11 LEU 75 HD11 LEU 75 -11.321 -23.539 -0.970 587 HD12 LEU 75 HD12 LEU 75 -12.618 -22.773 -0.057 588 HD13 LEU 75 HD13 LEU 75 -10.991 -22.860 0.627 589 HD21 LEU 75 HD21 LEU 75 -12.701 -20.273 0.166 590 HD22 LEU 75 HD22 LEU 75 -11.455 -19.269 -0.569 591 HD23 LEU 75 HD23 LEU 75 -11.083 -20.215 0.873 592 H GLU 76 H GLU 76 -9.037 -20.886 -4.516 593 HA GLU 76 HA GLU 76 -11.684 -20.497 -5.461 594 HB2 GLU 76 HB2 GLU 76 -11.020 -18.113 -5.566 595 HB3 GLU 76 HB3 GLU 76 -9.587 -18.523 -6.493 596 HG2 GLU 76 HG2 GLU 76 -11.282 -17.557 -7.943 597 HG3 GLU 76 HG3 GLU 76 -10.994 -19.235 -8.384 598 H HIS 77 H HIS 77 -12.013 -21.700 -7.345 599 HA HIS 77 HA HIS 77 -9.833 -23.383 -8.304 600 HB2 HIS 77 HB2 HIS 77 -11.655 -24.491 -9.680 601 HB3 HIS 77 HB3 HIS 77 -11.930 -24.512 -7.946 602 HD1 HIS 77 HD1 HIS 77 -14.065 -23.443 -7.085 603 HD2 HIS 77 HD2 HIS 77 -13.442 -22.713 -11.128 604 HE1 HIS 77 HE1 HIS 77 -16.195 -22.418 -7.915 605 HE2 HIS 77 HE2 HIS 77 -15.842 -22.100 -10.380 606 H HIS 78 H HIS 78 -8.998 -20.992 -8.946 607 HA HIS 78 HA HIS 78 -9.114 -20.851 -11.873 608 HB2 HIS 78 HB2 HIS 78 -10.814 -19.215 -11.125 609 HB3 HIS 78 HB3 HIS 78 -9.639 -18.444 -10.065 610 HD1 HIS 78 HD1 HIS 78 -8.976 -16.275 -11.066 611 HD2 HIS 78 HD2 HIS 78 -9.543 -19.186 -13.976 612 HE1 HIS 78 HE1 HIS 78 -8.426 -15.162 -13.243 613 HE2 HIS 78 HE2 HIS 78 -9.007 -16.869 -14.994 614 H HIS 79 H HIS 79 -7.064 -21.029 -12.469 615 HA HIS 79 HA HIS 79 -4.804 -20.429 -10.777 616 HB2 HIS 79 HB2 HIS 79 -4.931 -21.353 -13.683 617 HB3 HIS 79 HB3 HIS 79 -3.468 -21.288 -12.705 618 HD1 HIS 79 HD1 HIS 79 -6.433 -23.382 -13.419 619 HD2 HIS 79 HD2 HIS 79 -3.341 -23.278 -10.641 620 HE1 HIS 79 HE1 HIS 79 -6.469 -25.620 -12.292 621 HE2 HIS 79 HE2 HIS 79 -4.716 -25.465 -10.498 622 H HIS 80 H HIS 80 -2.861 -19.330 -11.888 623 HA HIS 80 HA HIS 80 -3.546 -16.599 -12.624 624 HB2 HIS 80 HB2 HIS 80 -0.809 -17.922 -12.332 625 HB3 HIS 80 HB3 HIS 80 -1.112 -16.189 -12.455 626 HD1 HIS 80 HD1 HIS 80 -0.793 -18.888 -10.026 627 HD2 HIS 80 HD2 HIS 80 -2.594 -15.142 -10.127 628 HE1 HIS 80 HE1 HIS 80 -1.256 -18.305 -7.636 629 HE2 HIS 80 HE2 HIS 80 -2.473 -16.114 -7.731 630 H HIS 81 H HIS 81 -2.361 -15.535 -14.460 631 HA HIS 81 HA HIS 81 -2.900 -16.983 -16.929 632 HB2 HIS 81 HB2 HIS 81 -2.109 -14.084 -16.430 633 HB3 HIS 81 HB3 HIS 81 -2.547 -14.745 -18.004 634 HD1 HIS 81 HD1 HIS 81 -4.027 -12.724 -15.602 635 HD2 HIS 81 HD2 HIS 81 -5.309 -16.159 -17.560 636 HE1 HIS 81 HE1 HIS 81 -6.530 -12.691 -15.447 637 HE2 HIS 81 HE2 HIS 81 -7.280 -14.674 -16.793 638 H HIS 82 H HIS 82 -0.236 -17.019 -15.075 639 HA HIS 82 HA HIS 82 1.433 -17.952 -17.253 640 HB2 HIS 82 HB2 HIS 82 2.003 -15.511 -17.146 641 HB3 HIS 82 HB3 HIS 82 2.447 -15.693 -15.453 642 HD1 HIS 82 HD1 HIS 82 3.495 -17.141 -18.825 643 HD2 HIS 82 HD2 HIS 82 5.128 -16.176 -15.127 644 HE1 HIS 82 HE1 HIS 82 5.951 -17.582 -19.045 645 HE2 HIS 82 HE2 HIS 82 6.938 -16.761 -16.884 646 H1 MET 1 H MET 1 8.364 -12.990 12.295 647 HA MET 1 HA MET 1 10.223 -12.294 10.335 648 HB2 MET 1 HB2 MET 1 9.563 -14.626 10.750 649 HB3 MET 1 HB3 MET 1 7.935 -14.295 10.171 650 HG2 MET 1 HG2 MET 1 8.844 -13.844 7.912 651 HG3 MET 1 HG3 MET 1 10.463 -14.224 8.502 652 HE1 MET 1 HE1 MET 1 10.647 -15.991 6.432 653 HE2 MET 1 HE2 MET 1 8.989 -15.638 5.941 654 HE3 MET 1 HE3 MET 1 9.499 -17.307 6.191 655 H ASP 2 H ASP 2 6.649 -12.402 9.979 656 HA ASP 2 HA ASP 2 6.395 -11.425 7.380 657 HB2 ASP 2 HB2 ASP 2 4.013 -10.845 8.052 658 HB3 ASP 2 HB3 ASP 2 4.512 -12.486 8.442 659 H LYS 3 H LYS 3 6.628 -9.640 10.378 660 HA LYS 3 HA LYS 3 5.936 -7.054 9.398 661 HB2 LYS 3 HB2 LYS 3 5.939 -8.064 11.845 662 HB3 LYS 3 HB3 LYS 3 7.602 -7.510 11.886 663 HG2 LYS 3 HG2 LYS 3 6.118 -5.888 12.940 664 HG3 LYS 3 HG3 LYS 3 6.856 -5.197 11.496 665 HD2 LYS 3 HD2 LYS 3 4.389 -4.671 11.814 666 HD3 LYS 3 HD3 LYS 3 4.811 -5.366 10.251 667 HE2 LYS 3 HE2 LYS 3 2.684 -6.262 11.360 668 HE3 LYS 3 HE3 LYS 3 3.840 -7.474 10.811 669 HZ1 LYS 3 HZ1 LYS 3 2.890 -7.884 13.042 670 HZ2 LYS 3 HZ2 LYS 3 3.678 -6.503 13.607 671 HZ3 LYS 3 HZ3 LYS 3 4.576 -7.812 13.031 672 H LYS 4 H LYS 4 8.898 -8.877 9.479 673 HA LYS 4 HA LYS 4 10.584 -6.593 8.766 674 HB2 LYS 4 HB2 LYS 4 11.270 -9.532 9.150 675 HB3 LYS 4 HB3 LYS 4 12.444 -8.264 8.805 676 HG2 LYS 4 HG2 LYS 4 10.726 -8.509 11.296 677 HG3 LYS 4 HG3 LYS 4 12.457 -8.837 11.176 678 HD2 LYS 4 HD2 LYS 4 11.097 -6.128 10.847 679 HD3 LYS 4 HD3 LYS 4 12.051 -6.658 12.234 680 HE2 LYS 4 HE2 LYS 4 13.090 -6.212 9.410 681 HE3 LYS 4 HE3 LYS 4 13.356 -5.156 10.796 682 HZ1 LYS 4 HZ1 LYS 4 14.638 -6.871 11.859 683 HZ2 LYS 4 HZ2 LYS 4 15.255 -6.610 10.304 684 HZ3 LYS 4 HZ3 LYS 4 14.301 -7.968 10.615 685 H ILE 5 H ILE 5 8.966 -9.293 7.198 686 HA ILE 5 HA ILE 5 10.324 -9.365 4.722 687 HB ILE 5 HB ILE 5 7.383 -9.910 5.338 688 HG12 ILE 5 HG12 ILE 5 9.718 -11.841 4.946 689 HG13 ILE 5 HG13 ILE 5 8.977 -11.437 6.489 690 HG21 ILE 5 HG21 ILE 5 7.250 -11.123 3.180 691 HG22 ILE 5 HG22 ILE 5 8.881 -10.588 2.780 692 HG23 ILE 5 HG23 ILE 5 7.582 -9.406 2.940 693 HD11 ILE 5 HD11 ILE 5 8.235 -13.608 5.710 694 HD12 ILE 5 HD12 ILE 5 7.641 -12.901 4.207 695 HD13 ILE 5 HD13 ILE 5 6.877 -12.481 5.741 696 H VAL 6 H VAL 6 7.525 -7.375 5.759 697 HA VAL 6 HA VAL 6 7.207 -5.917 3.347 698 HB VAL 6 HB VAL 6 5.863 -4.295 4.676 699 HG11 VAL 6 HG11 VAL 6 5.289 -7.206 5.343 700 HG12 VAL 6 HG12 VAL 6 4.817 -6.351 3.867 701 HG13 VAL 6 HG13 VAL 6 4.127 -5.876 5.419 702 HG21 VAL 6 HG21 VAL 6 6.739 -5.906 7.117 703 HG22 VAL 6 HG22 VAL 6 5.533 -4.615 7.112 704 HG23 VAL 6 HG23 VAL 6 7.219 -4.247 6.750 705 H GLY 7 H GLY 7 9.341 -5.408 6.111 706 HA2 GLY 7 HA2 GLY 7 10.273 -2.779 5.443 707 HA3 GLY 7 HA3 GLY 7 11.068 -3.928 6.509 708 H ALA 8 H ALA 8 11.518 -6.045 4.764 709 HA ALA 8 HA ALA 8 13.890 -5.321 3.378 710 HB1 ALA 8 HB1 ALA 8 13.915 -7.672 2.625 711 HB2 ALA 8 HB2 ALA 8 12.243 -7.870 3.163 712 HB3 ALA 8 HB3 ALA 8 13.520 -7.564 4.341 713 H ASN 9 H ASN 9 10.616 -6.139 2.214 714 HA ASN 9 HA ASN 9 11.042 -5.787 -0.572 715 HB2 ASN 9 HB2 ASN 9 8.468 -5.546 1.049 716 HB3 ASN 9 HB3 ASN 9 8.535 -5.609 -0.712 717 HD21 ASN 9 HD21 ASN 9 7.202 -7.431 1.108 718 HD22 ASN 9 HD22 ASN 9 7.878 -8.990 0.819 719 H ALA 10 H ALA 10 10.223 -3.528 2.029 720 HA ALA 10 HA ALA 10 9.473 -1.320 0.350 721 HB1 ALA 10 HB1 ALA 10 10.297 -1.334 3.278 722 HB2 ALA 10 HB2 ALA 10 8.655 -1.541 2.669 723 HB3 ALA 10 HB3 ALA 10 9.490 -0.007 2.428 724 H GLY 11 H GLY 11 12.471 -2.383 1.919 725 HA2 GLY 11 HA2 GLY 11 14.117 -0.144 1.295 726 HA3 GLY 11 HA3 GLY 11 14.678 -1.775 1.639 727 H LYS 12 H LYS 12 13.368 -3.126 -0.463 728 HA LYS 12 HA LYS 12 15.042 -2.795 -2.716 729 HB2 LYS 12 HB2 LYS 12 14.113 -4.961 -2.314 730 HB3 LYS 12 HB3 LYS 12 12.471 -4.333 -2.233 731 HG2 LYS 12 HG2 LYS 12 12.449 -3.939 -4.636 732 HG3 LYS 12 HG3 LYS 12 14.143 -4.416 -4.771 733 HD2 LYS 12 HD2 LYS 12 12.123 -6.373 -3.647 734 HD3 LYS 12 HD3 LYS 12 12.199 -6.117 -5.388 735 HE2 LYS 12 HE2 LYS 12 13.546 -8.064 -4.671 736 HE3 LYS 12 HE3 LYS 12 14.535 -6.822 -5.430 737 HZ1 LYS 12 HZ1 LYS 12 14.282 -7.213 -2.498 738 HZ2 LYS 12 HZ2 LYS 12 15.319 -6.133 -3.289 739 HZ3 LYS 12 HZ3 LYS 12 15.552 -7.799 -3.449 740 H VAL 13 H VAL 13 11.609 -1.891 -2.225 741 HA VAL 13 HA VAL 13 11.123 -0.706 -4.745 742 HB VAL 13 HB VAL 13 9.792 -0.215 -2.041 743 HG11 VAL 13 HG11 VAL 13 7.897 0.795 -3.292 744 HG12 VAL 13 HG12 VAL 13 8.836 0.701 -4.783 745 HG13 VAL 13 HG13 VAL 13 9.376 1.744 -3.465 746 HG21 VAL 13 HG21 VAL 13 8.000 -1.691 -2.922 747 HG22 VAL 13 HG22 VAL 13 9.553 -2.524 -2.882 748 HG23 VAL 13 HG23 VAL 13 8.919 -1.920 -4.414 749 H TRP 14 H TRP 14 12.153 0.736 -1.656 750 HA TRP 14 HA TRP 14 12.262 3.439 -2.476 751 HB2 TRP 14 HB2 TRP 14 12.229 2.531 -0.067 752 HB3 TRP 14 HB3 TRP 14 13.956 2.270 -0.236 753 HD1 TRP 14 HD1 TRP 14 11.376 5.193 -0.168 754 HE1 TRP 14 HE1 TRP 14 12.609 7.327 0.560 755 HE3 TRP 14 HE3 TRP 14 16.119 3.372 -0.080 756 HZ2 TRP 14 HZ2 TRP 14 15.254 8.133 1.134 757 HZ3 TRP 14 HZ3 TRP 14 17.974 4.871 0.583 758 HH2 TRP 14 HH2 TRP 14 17.541 7.210 1.174 759 H HIS 15 H HIS 15 14.676 0.859 -2.565 760 HA HIS 15 HA HIS 15 16.917 2.306 -3.455 761 HB2 HIS 15 HB2 HIS 15 17.056 -0.065 -2.754 762 HB3 HIS 15 HB3 HIS 15 16.101 -0.554 -4.151 763 HD1 HIS 15 HD1 HIS 15 19.495 0.826 -3.246 764 HD2 HIS 15 HD2 HIS 15 17.570 -0.904 -6.500 765 HE1 HIS 15 HE1 HIS 15 21.290 0.415 -4.947 766 HE2 HIS 15 HE2 HIS 15 20.079 -0.459 -6.969 767 H ALA 16 H ALA 16 14.299 0.735 -5.320 768 HA ALA 16 HA ALA 16 15.172 1.475 -7.916 769 HB1 ALA 16 HB1 ALA 16 12.924 0.843 -8.665 770 HB2 ALA 16 HB2 ALA 16 12.356 0.838 -6.992 771 HB3 ALA 16 HB3 ALA 16 13.562 -0.338 -7.518 772 H LEU 17 H LEU 17 13.283 3.248 -5.525 773 HA LEU 17 HA LEU 17 12.414 5.421 -7.167 774 HB2 LEU 17 HB2 LEU 17 13.025 5.393 -4.188 775 HB3 LEU 17 HB3 LEU 17 12.094 6.630 -5.027 776 HG LEU 17 HG LEU 17 11.276 3.714 -4.740 777 HD11 LEU 17 HD11 LEU 17 9.586 4.497 -3.164 778 HD12 LEU 17 HD12 LEU 17 10.203 6.146 -3.286 779 HD13 LEU 17 HD13 LEU 17 11.214 4.872 -2.589 780 HD21 LEU 17 HD21 LEU 17 10.434 4.704 -6.816 781 HD22 LEU 17 HD22 LEU 17 9.732 6.050 -5.914 782 HD23 LEU 17 HD23 LEU 17 9.119 4.411 -5.678 783 H ASN 18 H ASN 18 15.320 4.911 -5.154 784 HA ASN 18 HA ASN 18 16.601 7.394 -5.730 785 HB2 ASN 18 HB2 ASN 18 17.728 4.735 -4.765 786 HB3 ASN 18 HB3 ASN 18 18.704 6.186 -4.929 787 HD21 ASN 18 HD21 ASN 18 15.366 6.076 -3.671 788 HD22 ASN 18 HD22 ASN 18 15.793 6.549 -2.076 789 H GLU 19 H GLU 19 16.393 4.360 -7.475 790 HA GLU 19 HA GLU 19 18.479 4.855 -9.403 791 HB2 GLU 19 HB2 GLU 19 16.040 3.022 -9.537 792 HB3 GLU 19 HB3 GLU 19 17.381 2.997 -10.677 793 HG2 GLU 19 HG2 GLU 19 17.712 2.453 -7.716 794 HG3 GLU 19 HG3 GLU 19 17.354 1.192 -8.887 795 H ALA 20 H ALA 20 14.919 5.221 -9.393 796 HA ALA 20 HA ALA 20 14.879 7.525 -11.088 797 HB1 ALA 20 HB1 ALA 20 15.238 5.822 -12.856 798 HB2 ALA 20 HB2 ALA 20 13.655 6.583 -13.016 799 HB3 ALA 20 HB3 ALA 20 13.791 4.961 -12.328 800 H ASP 21 H ASP 21 13.439 8.600 -9.805 801 HA ASP 21 HA ASP 21 11.018 7.295 -8.767 802 HB2 ASP 21 HB2 ASP 21 10.805 9.278 -7.341 803 HB3 ASP 21 HB3 ASP 21 12.416 8.586 -7.203 804 H GLY 22 H GLY 22 9.101 9.081 -8.595 805 HA2 GLY 22 HA2 GLY 22 7.438 10.247 -9.700 806 HA3 GLY 22 HA3 GLY 22 8.584 10.613 -10.981 807 H ILE 23 H ILE 23 7.497 7.475 -9.737 808 HA ILE 23 HA ILE 23 6.548 6.694 -12.447 809 HB ILE 23 HB ILE 23 8.823 5.799 -11.985 810 HG12 ILE 23 HG12 ILE 23 6.744 3.562 -11.968 811 HG13 ILE 23 HG13 ILE 23 7.238 4.463 -13.397 812 HG21 ILE 23 HG21 ILE 23 8.748 5.689 -9.539 813 HG22 ILE 23 HG22 ILE 23 9.247 4.138 -10.217 814 HG23 ILE 23 HG23 ILE 23 7.600 4.349 -9.617 815 HD11 ILE 23 HD11 ILE 23 8.299 2.295 -13.320 816 HD12 ILE 23 HD12 ILE 23 8.994 2.653 -11.741 817 HD13 ILE 23 HD13 ILE 23 9.511 3.566 -13.162 818 H SER 24 H SER 24 4.866 5.073 -12.500 819 HA SER 24 HA SER 24 3.042 5.103 -10.244 820 HB2 SER 24 HB2 SER 24 2.828 3.655 -12.918 821 HB3 SER 24 HB3 SER 24 1.527 3.812 -11.729 822 HG SER 24 HG SER 24 1.648 6.073 -12.015 823 H ILE 25 H ILE 25 2.233 3.255 -9.134 824 HA ILE 25 HA ILE 25 4.057 1.521 -8.017 825 HB ILE 25 HB ILE 25 1.031 1.257 -8.180 826 HG12 ILE 25 HG12 ILE 25 2.819 2.307 -5.932 827 HG13 ILE 25 HG13 ILE 25 1.893 3.305 -7.045 828 HG21 ILE 25 HG21 ILE 25 1.136 -0.290 -6.234 829 HG22 ILE 25 HG22 ILE 25 2.891 -0.346 -6.386 830 HG23 ILE 25 HG23 ILE 25 1.873 -0.978 -7.683 831 HD11 ILE 25 HD11 ILE 25 -0.193 2.385 -6.126 832 HD12 ILE 25 HD12 ILE 25 0.797 3.165 -4.893 833 HD13 ILE 25 HD13 ILE 25 0.745 1.405 -4.993 834 HA PRO 26 HA PRO 26 2.529 -2.265 -10.710 835 HB2 PRO 26 HB2 PRO 26 1.463 -1.839 -13.209 836 HB3 PRO 26 HB3 PRO 26 0.479 -1.915 -11.742 837 HG2 PRO 26 HG2 PRO 26 1.538 0.523 -13.177 838 HG3 PRO 26 HG3 PRO 26 -0.108 0.200 -12.588 839 HD2 PRO 26 HD2 PRO 26 1.594 1.722 -11.155 840 HD3 PRO 26 HD3 PRO 26 0.469 0.608 -10.347 841 H GLU 27 H GLU 27 3.924 0.504 -12.392 842 HA GLU 27 HA GLU 27 5.530 -0.997 -14.283 843 HB2 GLU 27 HB2 GLU 27 5.658 1.923 -13.402 844 HB3 GLU 27 HB3 GLU 27 6.522 1.241 -14.785 845 HG2 GLU 27 HG2 GLU 27 3.518 1.525 -14.464 846 HG3 GLU 27 HG3 GLU 27 4.556 2.426 -15.568 847 H LEU 28 H LEU 28 6.084 0.857 -11.377 848 HA LEU 28 HA LEU 28 8.751 0.382 -10.768 849 HB2 LEU 28 HB2 LEU 28 7.305 2.011 -9.677 850 HB3 LEU 28 HB3 LEU 28 6.257 0.742 -9.073 851 HG LEU 28 HG LEU 28 8.071 -0.010 -7.552 852 HD11 LEU 28 HD11 LEU 28 10.035 1.408 -7.148 853 HD12 LEU 28 HD12 LEU 28 9.595 2.429 -8.520 854 HD13 LEU 28 HD13 LEU 28 10.048 0.742 -8.781 855 HD21 LEU 28 HD21 LEU 28 6.311 1.493 -6.790 856 HD22 LEU 28 HD22 LEU 28 7.251 2.897 -7.304 857 HD23 LEU 28 HD23 LEU 28 7.835 1.880 -5.983 858 H ALA 29 H ALA 29 5.871 -1.588 -10.078 859 HA ALA 29 HA ALA 29 6.983 -3.652 -8.523 860 HB1 ALA 29 HB1 ALA 29 4.623 -3.824 -10.427 861 HB2 ALA 29 HB2 ALA 29 4.557 -3.277 -8.751 862 HB3 ALA 29 HB3 ALA 29 4.983 -4.950 -9.110 863 H ARG 30 H ARG 30 6.736 -3.312 -12.042 864 HA ARG 30 HA ARG 30 7.623 -5.890 -12.830 865 HB2 ARG 30 HB2 ARG 30 7.971 -3.252 -14.327 866 HB3 ARG 30 HB3 ARG 30 8.067 -4.862 -15.036 867 HG2 ARG 30 HG2 ARG 30 5.585 -3.646 -13.792 868 HG3 ARG 30 HG3 ARG 30 5.930 -3.705 -15.521 869 HD2 ARG 30 HD2 ARG 30 5.671 -6.167 -13.754 870 HD3 ARG 30 HD3 ARG 30 4.345 -5.482 -14.698 871 HE ARG 30 HE ARG 30 6.842 -6.558 -15.880 872 HH11 ARG 30 HH11 ARG 30 3.415 -6.088 -16.062 873 HH12 ARG 30 HH12 ARG 30 3.279 -6.926 -17.563 874 HH21 ARG 30 HH21 ARG 30 6.630 -7.613 -17.807 875 HH22 ARG 30 HH22 ARG 30 5.071 -7.764 -18.536 876 H LYS 31 H LYS 31 9.348 -2.850 -12.226 877 HA LYS 31 HA LYS 31 11.960 -3.682 -13.009 878 HB2 LYS 31 HB2 LYS 31 11.124 -1.424 -11.136 879 HB3 LYS 31 HB3 LYS 31 12.715 -1.597 -11.880 880 HG2 LYS 31 HG2 LYS 31 11.715 -1.311 -14.112 881 HG3 LYS 31 HG3 LYS 31 10.111 -1.194 -13.387 882 HD2 LYS 31 HD2 LYS 31 10.828 1.034 -13.914 883 HD3 LYS 31 HD3 LYS 31 10.879 0.870 -12.160 884 HE2 LYS 31 HE2 LYS 31 13.337 0.546 -13.909 885 HE3 LYS 31 HE3 LYS 31 12.832 2.101 -13.266 886 HZ1 LYS 31 HZ1 LYS 31 13.069 1.174 -11.028 887 HZ2 LYS 31 HZ2 LYS 31 14.519 1.146 -11.896 888 HZ3 LYS 31 HZ3 LYS 31 13.639 -0.280 -11.686 889 H VAL 32 H VAL 32 10.349 -3.527 -9.818 890 HA VAL 32 HA VAL 32 12.670 -4.586 -8.406 891 HB VAL 32 HB VAL 32 11.345 -4.395 -6.365 892 HG11 VAL 32 HG11 VAL 32 10.916 -1.950 -6.379 893 HG12 VAL 32 HG12 VAL 32 11.010 -1.944 -8.146 894 HG13 VAL 32 HG13 VAL 32 12.433 -2.356 -7.186 895 HG21 VAL 32 HG21 VAL 32 9.147 -5.145 -7.189 896 HG22 VAL 32 HG22 VAL 32 8.968 -3.662 -8.123 897 HG23 VAL 32 HG23 VAL 32 8.995 -3.594 -6.360 898 H ASN 33 H ASN 33 10.237 -5.952 -10.234 899 HA ASN 33 HA ASN 33 9.731 -8.051 -10.851 900 HB2 ASN 33 HB2 ASN 33 12.219 -8.431 -10.536 901 HB3 ASN 33 HB3 ASN 33 11.881 -9.034 -8.924 902 HD21 ASN 33 HD21 ASN 33 9.918 -9.707 -11.820 903 HD22 ASN 33 HD22 ASN 33 10.290 -11.388 -11.869 904 H LEU 34 H LEU 34 8.757 -6.780 -8.137 905 HA LEU 34 HA LEU 34 7.525 -9.128 -6.850 906 HB2 LEU 34 HB2 LEU 34 7.254 -6.177 -6.119 907 HB3 LEU 34 HB3 LEU 34 6.736 -7.545 -5.144 908 HG LEU 34 HG LEU 34 9.615 -6.749 -5.757 909 HD11 LEU 34 HD11 LEU 34 8.085 -6.659 -3.132 910 HD12 LEU 34 HD12 LEU 34 8.540 -5.272 -4.126 911 HD13 LEU 34 HD13 LEU 34 9.790 -6.249 -3.362 912 HD21 LEU 34 HD21 LEU 34 8.623 -9.094 -4.100 913 HD22 LEU 34 HD22 LEU 34 10.303 -8.568 -4.241 914 HD23 LEU 34 HD23 LEU 34 9.454 -9.186 -5.654 915 H SER 35 H SER 35 5.127 -9.096 -6.470 916 HA SER 35 HA SER 35 3.499 -8.368 -8.683 917 HB2 SER 35 HB2 SER 35 2.652 -8.919 -5.803 918 HB3 SER 35 HB3 SER 35 1.565 -8.884 -7.193 919 HG SER 35 HG SER 35 2.598 -10.704 -8.011 920 H VAL 36 H VAL 36 1.896 -6.715 -8.848 921 HA VAL 36 HA VAL 36 2.519 -4.093 -8.294 922 HB VAL 36 HB VAL 36 -0.194 -5.392 -8.717 923 HG11 VAL 36 HG11 VAL 36 0.404 -2.420 -8.723 924 HG12 VAL 36 HG12 VAL 36 -0.688 -3.298 -7.639 925 HG13 VAL 36 HG13 VAL 36 -1.079 -3.149 -9.352 926 HG21 VAL 36 HG21 VAL 36 1.625 -3.930 -10.660 927 HG22 VAL 36 HG22 VAL 36 0.034 -4.586 -11.048 928 HG23 VAL 36 HG23 VAL 36 1.348 -5.671 -10.595 929 H GLU 37 H GLU 37 0.246 -6.117 -6.484 930 HA GLU 37 HA GLU 37 -0.448 -4.171 -4.512 931 HB2 GLU 37 HB2 GLU 37 -0.884 -7.183 -4.406 932 HB3 GLU 37 HB3 GLU 37 -1.710 -5.985 -3.418 933 HG2 GLU 37 HG2 GLU 37 -3.270 -6.578 -5.088 934 HG3 GLU 37 HG3 GLU 37 -2.646 -5.024 -5.600 935 H SER 38 H SER 38 1.966 -6.747 -4.618 936 HA SER 38 HA SER 38 2.841 -6.707 -1.911 937 HB2 SER 38 HB2 SER 38 4.458 -7.365 -4.418 938 HB3 SER 38 HB3 SER 38 4.923 -7.778 -2.767 939 HG SER 38 HG SER 38 3.906 -9.519 -3.882 940 H THR 39 H THR 39 3.807 -4.877 -4.772 941 HA THR 39 HA THR 39 5.913 -3.348 -3.598 942 HB THR 39 HB THR 39 4.287 -2.827 -6.132 943 HG1 THR 39 HG1 THR 39 5.396 -4.567 -6.678 944 HG21 THR 39 HG21 THR 39 6.186 -1.429 -6.878 945 HG22 THR 39 HG22 THR 39 6.966 -1.640 -5.310 946 HG23 THR 39 HG23 THR 39 5.443 -0.757 -5.423 947 H ALA 40 H ALA 40 2.445 -2.682 -4.211 948 HA ALA 40 HA ALA 40 2.329 0.035 -3.428 949 HB1 ALA 40 HB1 ALA 40 0.143 -2.076 -3.301 950 HB2 ALA 40 HB2 ALA 40 0.548 -1.097 -4.711 951 HB3 ALA 40 HB3 ALA 40 -0.110 -0.326 -3.268 952 H LEU 41 H LEU 41 1.786 -2.934 -1.596 953 HA LEU 41 HA LEU 41 1.147 -1.839 0.929 954 HB2 LEU 41 HB2 LEU 41 0.503 -4.076 0.327 955 HB3 LEU 41 HB3 LEU 41 2.143 -4.533 -0.050 956 HG LEU 41 HG LEU 41 1.037 -5.554 2.040 957 HD11 LEU 41 HD11 LEU 41 3.405 -5.787 1.533 958 HD12 LEU 41 HD12 LEU 41 3.109 -5.670 3.263 959 HD13 LEU 41 HD13 LEU 41 3.752 -4.279 2.387 960 HD21 LEU 41 HD21 LEU 41 1.695 -2.862 3.269 961 HD22 LEU 41 HD22 LEU 41 1.165 -4.309 4.133 962 HD23 LEU 41 HD23 LEU 41 0.075 -3.513 2.998 963 H ALA 42 H ALA 42 4.230 -2.740 -0.578 964 HA ALA 42 HA ALA 42 5.918 -2.253 1.683 965 HB1 ALA 42 HB1 ALA 42 6.618 -2.353 -1.275 966 HB2 ALA 42 HB2 ALA 42 6.594 -3.725 -0.163 967 HB3 ALA 42 HB3 ALA 42 7.769 -2.429 0.061 968 H VAL 43 H VAL 43 4.838 -0.206 -1.047 969 HA VAL 43 HA VAL 43 6.340 2.130 -0.498 970 HB VAL 43 HB VAL 43 3.614 1.828 -1.848 971 HG11 VAL 43 HG11 VAL 43 5.384 4.307 -1.803 972 HG12 VAL 43 HG12 VAL 43 3.808 4.142 -1.026 973 HG13 VAL 43 HG13 VAL 43 3.932 4.105 -2.785 974 HG21 VAL 43 HG21 VAL 43 6.372 2.229 -3.073 975 HG22 VAL 43 HG22 VAL 43 4.856 2.110 -3.967 976 HG23 VAL 43 HG23 VAL 43 5.456 0.721 -3.065 977 H GLY 44 H GLY 44 3.244 0.944 0.776 978 HA2 GLY 44 HA2 GLY 44 2.497 3.146 2.385 979 HA3 GLY 44 HA3 GLY 44 2.040 1.471 2.663 980 H TRP 45 H TRP 45 4.789 0.516 2.987 981 HA TRP 45 HA TRP 45 5.239 1.099 5.772 982 HB2 TRP 45 HB2 TRP 45 5.663 -1.149 4.588 983 HB3 TRP 45 HB3 TRP 45 7.140 -0.433 3.950 984 HD1 TRP 45 HD1 TRP 45 9.241 -0.371 5.607 985 HE1 TRP 45 HE1 TRP 45 9.619 -1.199 8.016 986 HE3 TRP 45 HE3 TRP 45 4.398 -1.359 6.913 987 HZ2 TRP 45 HZ2 TRP 45 8.087 -2.165 10.174 988 HZ3 TRP 45 HZ3 TRP 45 3.938 -2.233 9.170 989 HH2 TRP 45 HH2 TRP 45 5.744 -2.623 10.770 990 H LEU 46 H LEU 46 6.741 2.123 2.739 991 HA LEU 46 HA LEU 46 8.880 3.660 3.885 992 HB2 LEU 46 HB2 LEU 46 7.511 3.836 1.179 993 HB3 LEU 46 HB3 LEU 46 8.970 4.724 1.605 994 HG LEU 46 HG LEU 46 8.742 1.692 1.502 995 HD11 LEU 46 HD11 LEU 46 10.058 3.580 -0.476 996 HD12 LEU 46 HD12 LEU 46 8.581 2.643 -0.738 997 HD13 LEU 46 HD13 LEU 46 10.122 1.815 -0.522 998 HD21 LEU 46 HD21 LEU 46 11.194 1.702 1.774 999 HD22 LEU 46 HD22 LEU 46 10.389 2.428 3.160 1000 HD23 LEU 46 HD23 LEU 46 11.175 3.458 1.960 1001 H ALA 47 H ALA 47 5.561 4.400 2.890 1002 HA ALA 47 HA ALA 47 5.441 7.148 3.415 1003 HB1 ALA 47 HB1 ALA 47 3.221 5.092 3.737 1004 HB2 ALA 47 HB2 ALA 47 3.650 5.916 2.238 1005 HB3 ALA 47 HB3 ALA 47 3.000 6.839 3.594 1006 H ARG 48 H ARG 48 5.009 4.346 5.600 1007 HA ARG 48 HA ARG 48 4.412 5.526 8.038 1008 HB2 ARG 48 HB2 ARG 48 4.577 3.107 7.802 1009 HB3 ARG 48 HB3 ARG 48 6.269 3.214 7.349 1010 HG2 ARG 48 HG2 ARG 48 6.762 4.065 9.675 1011 HG3 ARG 48 HG3 ARG 48 5.081 3.725 10.082 1012 HD2 ARG 48 HD2 ARG 48 5.567 1.300 9.329 1013 HD3 ARG 48 HD3 ARG 48 7.280 1.758 9.370 1014 HE ARG 48 HE ARG 48 5.597 2.190 11.731 1015 HH11 ARG 48 HH11 ARG 48 8.291 0.536 10.367 1016 HH12 ARG 48 HH12 ARG 48 8.764 -0.128 11.889 1017 HH21 ARG 48 HH21 ARG 48 6.223 1.355 13.638 1018 HH22 ARG 48 HH22 ARG 48 7.610 0.329 13.711 1019 H GLU 49 H GLU 49 7.602 5.057 6.566 1020 HA GLU 49 HA GLU 49 9.081 6.285 8.724 1021 HB2 GLU 49 HB2 GLU 49 10.031 5.355 5.985 1022 HB3 GLU 49 HB3 GLU 49 11.046 5.671 7.393 1023 HG2 GLU 49 HG2 GLU 49 10.121 3.770 8.572 1024 HG3 GLU 49 HG3 GLU 49 8.909 3.513 7.318 1025 H ASN 50 H ASN 50 7.361 7.613 6.212 1026 HA ASN 50 HA ASN 50 7.107 9.675 5.347 1027 HB2 ASN 50 HB2 ASN 50 9.101 10.589 7.464 1028 HB3 ASN 50 HB3 ASN 50 8.013 11.642 6.565 1029 HD21 ASN 50 HD21 ASN 50 8.209 11.241 9.454 1030 HD22 ASN 50 HD22 ASN 50 6.649 10.717 9.977 1031 H LYS 51 H LYS 51 9.203 7.910 4.241 1032 HA LYS 51 HA LYS 51 11.307 9.749 3.283 1033 HB2 LYS 51 HB2 LYS 51 11.065 6.724 3.049 1034 HB3 LYS 51 HB3 LYS 51 12.450 7.673 2.507 1035 HG2 LYS 51 HG2 LYS 51 12.821 8.393 4.873 1036 HG3 LYS 51 HG3 LYS 51 11.503 7.329 5.375 1037 HD2 LYS 51 HD2 LYS 51 14.133 6.498 4.078 1038 HD3 LYS 51 HD3 LYS 51 13.650 6.229 5.755 1039 HE2 LYS 51 HE2 LYS 51 11.729 4.814 4.858 1040 HE3 LYS 51 HE3 LYS 51 12.477 4.947 3.265 1041 HZ1 LYS 51 HZ1 LYS 51 13.829 3.836 5.661 1042 HZ2 LYS 51 HZ2 LYS 51 14.406 3.818 4.073 1043 HZ3 LYS 51 HZ3 LYS 51 13.044 2.902 4.491 1044 H VAL 52 H VAL 52 8.305 9.104 2.161 1045 HA VAL 52 HA VAL 52 9.108 9.275 -0.679 1046 HB VAL 52 HB VAL 52 7.279 7.758 -1.374 1047 HG11 VAL 52 HG11 VAL 52 9.235 6.443 0.546 1048 HG12 VAL 52 HG12 VAL 52 9.542 6.839 -1.147 1049 HG13 VAL 52 HG13 VAL 52 8.335 5.621 -0.734 1050 HG21 VAL 52 HG21 VAL 52 6.895 7.172 1.592 1051 HG22 VAL 52 HG22 VAL 52 6.120 6.298 0.269 1052 HG23 VAL 52 HG23 VAL 52 5.746 8.001 0.537 1053 H VAL 53 H VAL 53 7.589 10.175 -2.104 1054 HA VAL 53 HA VAL 53 5.545 11.969 -0.922 1055 HB VAL 53 HB VAL 53 6.926 12.247 -3.636 1056 HG11 VAL 53 HG11 VAL 53 5.236 14.243 -2.077 1057 HG12 VAL 53 HG12 VAL 53 4.749 13.385 -3.542 1058 HG13 VAL 53 HG13 VAL 53 6.055 14.570 -3.607 1059 HG21 VAL 53 HG21 VAL 53 8.331 14.030 -2.639 1060 HG22 VAL 53 HG22 VAL 53 8.633 12.468 -1.873 1061 HG23 VAL 53 HG23 VAL 53 7.649 13.681 -1.050 1062 H ILE 54 H ILE 54 3.428 11.491 -1.443 1063 HA ILE 54 HA ILE 54 2.813 9.643 -3.696 1064 HB ILE 54 HB ILE 54 1.301 10.099 -1.072 1065 HG12 ILE 54 HG12 ILE 54 3.319 8.659 -0.823 1066 HG13 ILE 54 HG13 ILE 54 1.835 7.766 -0.517 1067 HG21 ILE 54 HG21 ILE 54 -0.284 8.328 -1.801 1068 HG22 ILE 54 HG22 ILE 54 0.491 8.299 -3.385 1069 HG23 ILE 54 HG23 ILE 54 -0.343 9.753 -2.840 1070 HD11 ILE 54 HD11 ILE 54 3.458 7.663 -3.056 1071 HD12 ILE 54 HD12 ILE 54 1.989 6.740 -2.724 1072 HD13 ILE 54 HD13 ILE 54 3.444 6.456 -1.772 1073 H GLU 55 H GLU 55 2.213 10.956 -5.378 1074 HA GLU 55 HA GLU 55 0.496 13.327 -4.820 1075 HB2 GLU 55 HB2 GLU 55 2.942 13.739 -5.552 1076 HB3 GLU 55 HB3 GLU 55 2.471 13.102 -7.128 1077 HG2 GLU 55 HG2 GLU 55 2.432 15.498 -7.210 1078 HG3 GLU 55 HG3 GLU 55 0.784 14.895 -7.326 1079 H ARG 56 H ARG 56 -1.478 13.069 -5.621 1080 HA ARG 56 HA ARG 56 -2.084 10.970 -7.540 1081 HB2 ARG 56 HB2 ARG 56 -3.916 12.835 -5.967 1082 HB3 ARG 56 HB3 ARG 56 -4.457 11.487 -6.970 1083 HG2 ARG 56 HG2 ARG 56 -3.256 9.898 -5.512 1084 HG3 ARG 56 HG3 ARG 56 -2.677 11.233 -4.510 1085 HD2 ARG 56 HD2 ARG 56 -4.988 11.756 -3.853 1086 HD3 ARG 56 HD3 ARG 56 -5.593 10.467 -4.905 1087 HE ARG 56 HE ARG 56 -3.720 9.798 -2.734 1088 HH11 ARG 56 HH11 ARG 56 -6.916 9.561 -4.007 1089 HH12 ARG 56 HH12 ARG 56 -7.372 8.299 -2.923 1090 HH21 ARG 56 HH21 ARG 56 -4.324 8.177 -1.353 1091 HH22 ARG 56 HH22 ARG 56 -5.914 7.515 -1.439 1092 H LYS 57 H LYS 57 -1.710 11.451 -9.566 1093 HA LYS 57 HA LYS 57 -2.588 13.993 -10.800 1094 HB2 LYS 57 HB2 LYS 57 -0.422 12.001 -11.403 1095 HB3 LYS 57 HB3 LYS 57 -1.218 12.697 -12.805 1096 HG2 LYS 57 HG2 LYS 57 0.773 13.936 -12.327 1097 HG3 LYS 57 HG3 LYS 57 -0.630 14.959 -12.013 1098 HD2 LYS 57 HD2 LYS 57 -0.367 14.695 -9.615 1099 HD3 LYS 57 HD3 LYS 57 0.886 13.466 -9.837 1100 HE2 LYS 57 HE2 LYS 57 1.100 16.397 -10.617 1101 HE3 LYS 57 HE3 LYS 57 1.899 15.618 -9.251 1102 HZ1 LYS 57 HZ1 LYS 57 3.437 15.799 -11.055 1103 HZ2 LYS 57 HZ2 LYS 57 2.366 15.053 -12.124 1104 HZ3 LYS 57 HZ3 LYS 57 3.044 14.166 -10.858 1105 H ASN 58 H ASN 58 -4.590 13.905 -11.666 1106 HA ASN 58 HA ASN 58 -6.485 13.259 -12.739 1107 HB2 ASN 58 HB2 ASN 58 -4.610 11.386 -14.241 1108 HB3 ASN 58 HB3 ASN 58 -6.211 11.873 -14.783 1109 HD21 ASN 58 HD21 ASN 58 -3.490 12.243 -15.953 1110 HD22 ASN 58 HD22 ASN 58 -3.370 13.933 -16.269 1111 H GLY 59 H GLY 59 -5.931 11.895 -10.253 1112 HA2 GLY 59 HA2 GLY 59 -7.137 10.337 -8.993 1113 HA3 GLY 59 HA3 GLY 59 -7.688 9.559 -10.467 1114 H LEU 60 H LEU 60 -4.687 9.569 -11.278 1115 HA LEU 60 HA LEU 60 -4.049 6.915 -10.236 1116 HB2 LEU 60 HB2 LEU 60 -3.975 7.240 -12.633 1117 HB3 LEU 60 HB3 LEU 60 -2.930 8.635 -12.488 1118 HG LEU 60 HG LEU 60 -1.861 5.951 -11.563 1119 HD11 LEU 60 HD11 LEU 60 -1.987 6.760 -14.490 1120 HD12 LEU 60 HD12 LEU 60 -2.862 5.422 -13.743 1121 HD13 LEU 60 HD13 LEU 60 -1.103 5.377 -13.832 1122 HD21 LEU 60 HD21 LEU 60 -0.466 7.956 -11.222 1123 HD22 LEU 60 HD22 LEU 60 -0.533 8.314 -12.948 1124 HD23 LEU 60 HD23 LEU 60 0.286 6.859 -12.378 1125 H ILE 61 H ILE 61 -2.273 6.471 -8.926 1126 HA ILE 61 HA ILE 61 -1.035 8.745 -7.553 1127 HB ILE 61 HB ILE 61 -0.946 5.755 -6.979 1128 HG12 ILE 61 HG12 ILE 61 -2.404 8.040 -5.571 1129 HG13 ILE 61 HG13 ILE 61 -3.155 6.814 -6.586 1130 HG21 ILE 61 HG21 ILE 61 0.263 7.993 -5.310 1131 HG22 ILE 61 HG22 ILE 61 1.158 6.750 -6.184 1132 HG23 ILE 61 HG23 ILE 61 0.141 6.302 -4.816 1133 HD11 ILE 61 HD11 ILE 61 -1.804 6.340 -3.930 1134 HD12 ILE 61 HD12 ILE 61 -2.549 5.101 -4.945 1135 HD13 ILE 61 HD13 ILE 61 -3.539 6.378 -4.242 1136 H GLU 62 H GLU 62 0.878 9.546 -8.106 1137 HA GLU 62 HA GLU 62 2.969 7.869 -9.383 1138 HB2 GLU 62 HB2 GLU 62 2.784 10.919 -9.313 1139 HB3 GLU 62 HB3 GLU 62 4.048 9.978 -10.102 1140 HG2 GLU 62 HG2 GLU 62 2.219 8.999 -11.574 1141 HG3 GLU 62 HG3 GLU 62 1.137 10.215 -10.894 1142 H ILE 63 H ILE 63 4.729 7.401 -8.144 1143 HA ILE 63 HA ILE 63 4.947 8.653 -5.480 1144 HB ILE 63 HB ILE 63 4.427 6.179 -5.685 1145 HG12 ILE 63 HG12 ILE 63 5.354 7.207 -3.583 1146 HG13 ILE 63 HG13 ILE 63 5.695 5.496 -3.754 1147 HG21 ILE 63 HG21 ILE 63 7.299 5.897 -6.610 1148 HG22 ILE 63 HG22 ILE 63 5.843 5.513 -7.526 1149 HG23 ILE 63 HG23 ILE 63 6.256 4.565 -6.100 1150 HD11 ILE 63 HD11 ILE 63 7.590 6.575 -2.854 1151 HD12 ILE 63 HD12 ILE 63 7.595 7.784 -4.132 1152 HD13 ILE 63 HD13 ILE 63 7.980 6.102 -4.504 1153 H TYR 64 H TYR 64 6.551 10.003 -5.133 1154 HA TYR 64 HA TYR 64 9.009 10.024 -6.792 1155 HB2 TYR 64 HB2 TYR 64 7.883 12.273 -5.055 1156 HB3 TYR 64 HB3 TYR 64 9.240 12.394 -6.167 1157 HD1 TYR 64 HD2 TYR 64 5.543 12.041 -5.951 1158 HD2 TYR 64 HD1 TYR 64 8.857 12.775 -8.551 1159 HE1 TYR 64 HE2 TYR 64 4.004 12.720 -7.733 1160 HE2 TYR 64 HE1 TYR 64 7.302 13.467 -10.326 1161 HH TYR 64 HH TYR 64 4.857 12.986 -10.914 1162 H ASN 65 H ASN 65 11.031 10.570 -5.653 1163 HA ASN 65 HA ASN 65 11.293 8.954 -3.236 1164 HB2 ASN 65 HB2 ASN 65 12.819 8.744 -5.243 1165 HB3 ASN 65 HB3 ASN 65 13.450 10.346 -4.882 1166 HD21 ASN 65 HD21 ASN 65 15.535 9.540 -4.600 1167 HD22 ASN 65 HD22 ASN 65 15.982 8.597 -3.228 1168 H GLU 66 H GLU 66 12.605 9.677 -1.404 1169 HA GLU 66 HA GLU 66 11.865 11.989 -0.086 1170 HB2 GLU 66 HB2 GLU 66 12.987 10.000 0.953 1171 HB3 GLU 66 HB3 GLU 66 14.514 10.492 0.233 1172 HG2 GLU 66 HG2 GLU 66 14.392 12.615 1.562 1173 HG3 GLU 66 HG3 GLU 66 12.934 12.001 2.341 1174 H GLY 67 H GLY 67 12.283 14.078 -0.417 1175 HA2 GLY 67 HA2 GLY 67 14.537 15.512 -0.403 1176 HA3 GLY 67 HA3 GLY 67 14.482 15.036 -2.099 1177 H HIS 68 H HIS 68 12.344 15.452 -3.201 1178 HA HIS 68 HA HIS 68 11.515 18.226 -2.668 1179 HB2 HIS 68 HB2 HIS 68 12.374 17.434 -4.951 1180 HB3 HIS 68 HB3 HIS 68 10.881 16.521 -5.115 1181 HD1 HIS 68 HD1 HIS 68 12.256 20.003 -5.166 1182 HD2 HIS 68 HD2 HIS 68 8.616 18.089 -5.754 1183 HE1 HIS 68 HE1 HIS 68 10.757 21.726 -6.197 1184 HE2 HIS 68 HE2 HIS 68 8.557 20.557 -6.539 1185 H PHE 69 H PHE 69 10.289 17.401 -0.742 1186 HA PHE 69 HA PHE 69 7.823 15.940 -1.106 1187 HB2 PHE 69 HB2 PHE 69 8.985 17.472 1.249 1188 HB3 PHE 69 HB3 PHE 69 7.397 16.720 1.318 1189 HD1 PHE 69 HD2 PHE 69 11.032 16.091 1.215 1190 HD2 PHE 69 HD1 PHE 69 7.160 14.285 1.416 1191 HE1 PHE 69 HE2 PHE 69 12.052 13.954 1.878 1192 HE2 PHE 69 HE1 PHE 69 8.193 12.153 2.076 1193 HZ PHE 69 HZ PHE 69 10.637 11.986 2.307 1194 H ASP 70 H ASP 70 8.669 19.387 -0.688 1195 HA ASP 70 HA ASP 70 5.977 20.353 -1.149 1196 HB2 ASP 70 HB2 ASP 70 8.609 21.879 -1.400 1197 HB3 ASP 70 HB3 ASP 70 7.004 22.588 -1.282 1198 H PHE 71 H PHE 71 5.470 19.115 -3.047 1199 HA PHE 71 HA PHE 71 6.927 19.207 -5.479 1200 HB2 PHE 71 HB2 PHE 71 5.292 17.409 -4.842 1201 HB3 PHE 71 HB3 PHE 71 3.975 18.551 -5.094 1202 HD1 PHE 71 HD2 PHE 71 6.791 16.806 -6.825 1203 HD2 PHE 71 HD1 PHE 71 3.093 18.902 -7.294 1204 HE1 PHE 71 HE2 PHE 71 6.751 16.210 -9.211 1205 HE2 PHE 71 HE1 PHE 71 3.066 18.308 -9.680 1206 HZ PHE 71 HZ PHE 71 4.891 16.960 -10.639 1207 H SER 72 H SER 72 3.974 20.893 -4.437 1208 HA SER 72 HA SER 72 4.165 22.907 -6.539 1209 HB2 SER 72 HB2 SER 72 2.139 23.866 -5.432 1210 HB3 SER 72 HB3 SER 72 1.936 22.165 -5.844 1211 HG SER 72 HG SER 72 2.447 23.294 -3.285 1212 H PHE 73 H PHE 73 5.746 24.383 -6.300 1213 HA PHE 73 HA PHE 73 6.772 25.235 -3.720 1214 HB2 PHE 73 HB2 PHE 73 8.211 24.829 -5.783 1215 HB3 PHE 73 HB3 PHE 73 7.509 26.273 -6.494 1216 HD1 PHE 73 HD1 PHE 73 8.845 25.559 -3.040 1217 HD2 PHE 73 HD2 PHE 73 9.194 27.905 -6.600 1218 HE1 PHE 73 HE1 PHE 73 10.670 26.853 -2.013 1219 HE2 PHE 73 HE2 PHE 73 11.010 29.195 -5.560 1220 HZ PHE 73 HZ PHE 73 11.754 28.672 -3.273 1221 H GLY 74 H GLY 74 4.891 26.200 -2.817 1222 HA2 GLY 74 HA2 GLY 74 3.431 28.316 -4.227 1223 HA3 GLY 74 HA3 GLY 74 2.976 27.539 -2.723 1224 H LEU 75 H LEU 75 5.254 29.888 -4.117 1225 HA LEU 75 HA LEU 75 6.001 31.104 -1.623 1226 HB2 LEU 75 HB2 LEU 75 6.262 32.110 -4.485 1227 HB3 LEU 75 HB3 LEU 75 7.001 32.886 -3.088 1228 HG LEU 75 HG LEU 75 7.650 30.082 -4.094 1229 HD11 LEU 75 HD11 LEU 75 9.291 32.628 -4.313 1230 HD12 LEU 75 HD12 LEU 75 8.472 31.789 -5.633 1231 HD13 LEU 75 HD13 LEU 75 9.808 31.007 -4.796 1232 HD21 LEU 75 HD21 LEU 75 8.942 31.671 -1.846 1233 HD22 LEU 75 HD22 LEU 75 9.493 30.111 -2.464 1234 HD23 LEU 75 HD23 LEU 75 7.930 30.234 -1.665 1235 H GLU 76 H GLU 76 3.995 32.334 -4.369 1236 HA GLU 76 HA GLU 76 2.987 34.526 -2.696 1237 HB2 GLU 76 HB2 GLU 76 3.939 34.886 -5.026 1238 HB3 GLU 76 HB3 GLU 76 2.509 34.085 -5.672 1239 HG2 GLU 76 HG2 GLU 76 1.082 35.846 -4.669 1240 HG3 GLU 76 HG3 GLU 76 2.516 36.632 -4.011 1241 H HIS 77 H HIS 77 2.014 31.676 -2.394 1242 HA HIS 77 HA HIS 77 -0.829 31.809 -2.810 1243 HB2 HIS 77 HB2 HIS 77 0.291 29.636 -2.401 1244 HB3 HIS 77 HB3 HIS 77 0.781 30.166 -0.795 1245 HD1 HIS 77 HD1 HIS 77 -0.864 29.773 1.074 1246 HD2 HIS 77 HD2 HIS 77 -2.583 29.287 -2.678 1247 HE1 HIS 77 HE1 HIS 77 -3.158 28.856 1.499 1248 HE2 HIS 77 HE2 HIS 77 -4.146 28.482 -0.782 1249 H HIS 78 H HIS 78 -1.964 33.458 -1.937 1250 HA HIS 78 HA HIS 78 -0.967 35.381 -0.221 1251 HB2 HIS 78 HB2 HIS 78 -2.876 35.685 -1.803 1252 HB3 HIS 78 HB3 HIS 78 -3.911 34.774 -0.711 1253 HD1 HIS 78 HD1 HIS 78 -4.835 36.001 1.336 1254 HD2 HIS 78 HD2 HIS 78 -2.225 38.322 -0.918 1255 HE1 HIS 78 HE1 HIS 78 -5.046 38.325 2.252 1256 HE2 HIS 78 HE2 HIS 78 -3.624 39.739 0.738 1257 H HIS 79 H HIS 79 -0.870 35.709 1.917 1258 HA HIS 79 HA HIS 79 -2.463 34.200 3.852 1259 HB2 HIS 79 HB2 HIS 79 -0.392 33.518 5.135 1260 HB3 HIS 79 HB3 HIS 79 -0.560 32.713 3.582 1261 HD1 HIS 79 HD1 HIS 79 1.216 33.194 1.790 1262 HD2 HIS 79 HD2 HIS 79 1.824 35.321 5.301 1263 HE1 HIS 79 HE1 HIS 79 3.523 34.140 1.599 1264 HE2 HIS 79 HE2 HIS 79 3.797 35.573 3.643 1265 H HIS 80 H HIS 80 -2.439 35.087 5.976 1266 HA HIS 80 HA HIS 80 -0.802 37.314 6.743 1267 HB2 HIS 80 HB2 HIS 80 -2.521 39.026 7.009 1268 HB3 HIS 80 HB3 HIS 80 -2.525 38.498 5.333 1269 HD1 HIS 80 HD1 HIS 80 -4.487 36.695 4.745 1270 HD2 HIS 80 HD2 HIS 80 -5.004 38.947 8.195 1271 HE1 HIS 80 HE1 HIS 80 -6.910 36.467 5.334 1272 HE2 HIS 80 HE2 HIS 80 -7.234 37.984 7.308 1273 H HIS 81 H HIS 81 -1.142 37.920 8.990 1274 HA HIS 81 HA HIS 81 -2.873 36.121 10.583 1275 HB2 HIS 81 HB2 HIS 81 0.067 36.730 11.028 1276 HB3 HIS 81 HB3 HIS 81 -0.969 36.235 12.365 1277 HD1 HIS 81 HD1 HIS 81 -1.423 33.800 12.623 1278 HD2 HIS 81 HD2 HIS 81 0.292 34.669 8.941 1279 HE1 HIS 81 HE1 HIS 81 -0.900 31.579 11.591 1280 HE2 HIS 81 HE2 HIS 81 -0.039 32.127 9.298 1281 H HIS 82 H HIS 82 -3.181 36.908 12.837 1282 HA HIS 82 HA HIS 82 -4.420 39.500 12.699 1283 HB2 HIS 82 HB2 HIS 82 -5.424 37.492 13.809 1284 HB3 HIS 82 HB3 HIS 82 -4.161 37.549 15.028 1285 HD1 HIS 82 HD1 HIS 82 -4.917 38.617 17.133 1286 HD2 HIS 82 HD2 HIS 82 -6.981 40.097 13.842 1287 HE1 HIS 82 HE1 HIS 82 -6.638 40.186 18.069 1288 HE2 HIS 82 HE2 HIS 82 -7.746 41.203 16.058 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.382 15.073 -3.097 2 H2 MET 1 H2 MET 1 1.485 13.854 -1.934 3 H3 MET 1 H3 MET 1 2.212 15.350 -1.655 4 HA MET 1 HA MET 1 0.061 16.425 -1.684 5 HB2 MET 1 HB2 MET 1 -0.968 14.661 -3.162 6 HB3 MET 1 HB3 MET 1 -1.006 13.568 -1.789 7 HG2 MET 1 HG2 MET 1 -2.614 14.971 -0.659 8 HG3 MET 1 HG3 MET 1 -2.481 16.206 -1.909 9 HE1 MET 1 HE1 MET 1 -2.455 14.560 -4.594 10 HE2 MET 1 HE2 MET 1 -3.468 15.984 -4.335 11 HE3 MET 1 HE3 MET 1 -4.176 14.498 -4.971 12 H ASP 2 H ASP 2 -1.358 16.422 0.329 13 HA ASP 2 HA ASP 2 0.204 16.451 2.610 14 HB2 ASP 2 HB2 ASP 2 -1.860 17.786 2.225 15 HB3 ASP 2 HB3 ASP 2 -2.839 16.343 2.435 16 H LYS 3 H LYS 3 0.254 15.256 4.561 17 HA LYS 3 HA LYS 3 0.280 12.394 4.156 18 HB2 LYS 3 HB2 LYS 3 2.116 13.610 5.339 19 HB3 LYS 3 HB3 LYS 3 1.004 13.986 6.649 20 HG2 LYS 3 HG2 LYS 3 2.401 12.107 7.304 21 HG3 LYS 3 HG3 LYS 3 0.738 11.555 7.113 22 HD2 LYS 3 HD2 LYS 3 1.865 9.838 6.012 23 HD3 LYS 3 HD3 LYS 3 1.538 10.903 4.654 24 HE2 LYS 3 HE2 LYS 3 4.157 10.636 6.169 25 HE3 LYS 3 HE3 LYS 3 3.827 10.089 4.526 26 HZ1 LYS 3 HZ1 LYS 3 3.544 12.405 3.875 27 HZ2 LYS 3 HZ2 LYS 3 5.072 12.137 4.543 28 HZ3 LYS 3 HZ3 LYS 3 3.878 12.907 5.453 29 H LYS 4 H LYS 4 -1.773 14.638 6.010 30 HA LYS 4 HA LYS 4 -2.983 12.686 7.720 31 HB2 LYS 4 HB2 LYS 4 -4.033 15.405 6.864 32 HB3 LYS 4 HB3 LYS 4 -4.693 14.438 8.180 33 HG2 LYS 4 HG2 LYS 4 -1.854 15.538 8.127 34 HG3 LYS 4 HG3 LYS 4 -3.218 16.354 8.884 35 HD2 LYS 4 HD2 LYS 4 -2.212 15.299 10.715 36 HD3 LYS 4 HD3 LYS 4 -3.469 14.145 10.286 37 HE2 LYS 4 HE2 LYS 4 -1.778 12.757 9.110 38 HE3 LYS 4 HE3 LYS 4 -0.522 13.924 9.534 39 HZ1 LYS 4 HZ1 LYS 4 -2.147 12.339 11.450 40 HZ2 LYS 4 HZ2 LYS 4 -0.949 13.455 11.863 41 HZ3 LYS 4 HZ3 LYS 4 -0.532 12.046 11.038 42 H ILE 5 H ILE 5 -3.494 13.456 4.413 43 HA ILE 5 HA ILE 5 -6.121 12.482 4.028 44 HB ILE 5 HB ILE 5 -3.771 12.563 2.083 45 HG12 ILE 5 HG12 ILE 5 -6.072 14.517 2.584 46 HG13 ILE 5 HG13 ILE 5 -4.373 14.789 2.961 47 HG21 ILE 5 HG21 ILE 5 -5.440 12.405 0.257 48 HG22 ILE 5 HG22 ILE 5 -6.724 12.175 1.444 49 HG23 ILE 5 HG23 ILE 5 -5.458 10.958 1.268 50 HD11 ILE 5 HD11 ILE 5 -5.578 14.551 0.204 51 HD12 ILE 5 HD12 ILE 5 -3.865 14.789 0.559 52 HD13 ILE 5 HD13 ILE 5 -5.036 16.027 1.002 53 H VAL 6 H VAL 6 -2.937 10.748 3.778 54 HA VAL 6 HA VAL 6 -4.114 8.196 3.230 55 HB VAL 6 HB VAL 6 -1.951 7.172 3.520 56 HG11 VAL 6 HG11 VAL 6 -1.624 9.937 2.303 57 HG12 VAL 6 HG12 VAL 6 -2.222 8.477 1.498 58 HG13 VAL 6 HG13 VAL 6 -0.548 8.556 2.043 59 HG21 VAL 6 HG21 VAL 6 -1.273 8.189 5.681 60 HG22 VAL 6 HG22 VAL 6 -0.955 9.720 4.871 61 HG23 VAL 6 HG23 VAL 6 0.019 8.304 4.486 62 H GLY 7 H GLY 7 -3.400 9.892 6.219 63 HA2 GLY 7 HA2 GLY 7 -3.823 7.790 8.088 64 HA3 GLY 7 HA3 GLY 7 -4.039 9.506 8.402 65 H ALA 8 H ALA 8 -6.058 10.144 6.621 66 HA ALA 8 HA ALA 8 -8.453 9.257 7.880 67 HB1 ALA 8 HB1 ALA 8 -8.106 10.742 5.248 68 HB2 ALA 8 HB2 ALA 8 -8.239 11.484 6.844 69 HB3 ALA 8 HB3 ALA 8 -9.610 10.604 6.168 70 H ASN 9 H ASN 9 -6.983 8.490 4.714 71 HA ASN 9 HA ASN 9 -8.923 6.701 3.718 72 HB2 ASN 9 HB2 ASN 9 -5.928 6.817 3.155 73 HB3 ASN 9 HB3 ASN 9 -7.063 5.833 2.237 74 HD21 ASN 9 HD21 ASN 9 -5.331 7.972 1.318 75 HD22 ASN 9 HD22 ASN 9 -6.354 9.160 0.605 76 H ALA 10 H ALA 10 -6.186 6.214 5.907 77 HA ALA 10 HA ALA 10 -6.192 3.346 5.873 78 HB1 ALA 10 HB1 ALA 10 -4.198 4.682 6.438 79 HB2 ALA 10 HB2 ALA 10 -4.606 3.548 7.729 80 HB3 ALA 10 HB3 ALA 10 -4.996 5.263 7.901 81 H GLY 11 H GLY 11 -7.656 5.823 7.965 82 HA2 GLY 11 HA2 GLY 11 -8.813 4.073 9.914 83 HA3 GLY 11 HA3 GLY 11 -9.327 5.717 9.558 84 H LYS 12 H LYS 12 -9.870 5.237 6.768 85 HA LYS 12 HA LYS 12 -12.547 4.258 6.792 86 HB2 LYS 12 HB2 LYS 12 -11.587 6.071 5.297 87 HB3 LYS 12 HB3 LYS 12 -10.728 4.824 4.409 88 HG2 LYS 12 HG2 LYS 12 -12.668 5.427 3.148 89 HG3 LYS 12 HG3 LYS 12 -12.929 3.805 3.797 90 HD2 LYS 12 HD2 LYS 12 -14.375 4.738 5.573 91 HD3 LYS 12 HD3 LYS 12 -14.077 6.374 4.974 92 HE2 LYS 12 HE2 LYS 12 -15.162 5.745 2.817 93 HE3 LYS 12 HE3 LYS 12 -15.500 4.142 3.474 94 HZ1 LYS 12 HZ1 LYS 12 -16.543 6.712 4.516 95 HZ2 LYS 12 HZ2 LYS 12 -16.838 5.196 5.198 96 HZ3 LYS 12 HZ3 LYS 12 -17.416 5.552 3.652 97 H VAL 13 H VAL 13 -9.476 2.928 5.522 98 HA VAL 13 HA VAL 13 -10.465 0.457 4.507 99 HB VAL 13 HB VAL 13 -7.655 1.287 5.371 100 HG11 VAL 13 HG11 VAL 13 -7.768 -1.167 5.513 101 HG12 VAL 13 HG12 VAL 13 -6.793 -0.690 4.123 102 HG13 VAL 13 HG13 VAL 13 -8.449 -1.254 3.887 103 HG21 VAL 13 HG21 VAL 13 -8.879 1.012 2.593 104 HG22 VAL 13 HG22 VAL 13 -7.217 1.493 2.946 105 HG23 VAL 13 HG23 VAL 13 -8.557 2.532 3.432 106 H TRP 14 H TRP 14 -9.119 1.385 7.651 107 HA TRP 14 HA TRP 14 -9.121 -1.228 8.807 108 HB2 TRP 14 HB2 TRP 14 -7.740 0.794 9.611 109 HB3 TRP 14 HB3 TRP 14 -9.199 1.361 10.415 110 HD1 TRP 14 HD1 TRP 14 -6.748 -1.676 10.500 111 HE1 TRP 14 HE1 TRP 14 -6.853 -2.723 12.846 112 HE3 TRP 14 HE3 TRP 14 -10.446 1.199 12.478 113 HZ2 TRP 14 HZ2 TRP 14 -8.310 -2.363 15.241 114 HZ3 TRP 14 HZ3 TRP 14 -11.147 0.814 14.821 115 HH2 TRP 14 HH2 TRP 14 -10.095 -0.940 16.174 116 H HIS 15 H HIS 15 -11.506 1.428 8.757 117 HA HIS 15 HA HIS 15 -13.559 0.318 10.315 118 HB2 HIS 15 HB2 HIS 15 -13.806 2.578 9.436 119 HB3 HIS 15 HB3 HIS 15 -13.752 2.000 7.778 120 HD1 HIS 15 HD1 HIS 15 -16.040 2.243 10.746 121 HD2 HIS 15 HD2 HIS 15 -16.225 0.985 6.789 122 HE1 HIS 15 HE1 HIS 15 -18.476 1.872 10.268 123 HE2 HIS 15 HE2 HIS 15 -18.524 0.869 7.969 124 H ALA 16 H ALA 16 -12.789 -0.213 6.866 125 HA ALA 16 HA ALA 16 -14.903 -1.919 6.147 126 HB1 ALA 16 HB1 ALA 16 -13.365 -0.876 4.521 127 HB2 ALA 16 HB2 ALA 16 -13.518 -2.611 4.255 128 HB3 ALA 16 HB3 ALA 16 -12.079 -1.958 5.045 129 H LEU 17 H LEU 17 -11.868 -2.664 7.760 130 HA LEU 17 HA LEU 17 -12.059 -5.497 7.793 131 HB2 LEU 17 HB2 LEU 17 -10.704 -3.607 9.736 132 HB3 LEU 17 HB3 LEU 17 -10.451 -5.348 9.696 133 HG LEU 17 HG LEU 17 -9.754 -3.434 7.428 134 HD11 LEU 17 HD11 LEU 17 -7.927 -4.792 9.434 135 HD12 LEU 17 HD12 LEU 17 -8.326 -3.069 9.381 136 HD13 LEU 17 HD13 LEU 17 -7.419 -3.804 8.059 137 HD21 LEU 17 HD21 LEU 17 -10.310 -5.689 6.604 138 HD22 LEU 17 HD22 LEU 17 -9.151 -6.405 7.729 139 HD23 LEU 17 HD23 LEU 17 -8.588 -5.358 6.424 140 H ASN 18 H ASN 18 -13.019 -3.078 10.303 141 HA ASN 18 HA ASN 18 -14.225 -4.967 12.080 142 HB2 ASN 18 HB2 ASN 18 -14.710 -1.962 11.854 143 HB3 ASN 18 HB3 ASN 18 -15.263 -2.973 13.190 144 HD21 ASN 18 HD21 ASN 18 -12.528 -1.432 11.726 145 HD22 ASN 18 HD22 ASN 18 -11.415 -1.742 13.002 146 H GLU 19 H GLU 19 -15.333 -3.408 9.214 147 HA GLU 19 HA GLU 19 -18.158 -3.899 9.474 148 HB2 GLU 19 HB2 GLU 19 -17.035 -2.125 7.998 149 HB3 GLU 19 HB3 GLU 19 -16.542 -3.421 6.923 150 HG2 GLU 19 HG2 GLU 19 -18.471 -2.420 5.955 151 HG3 GLU 19 HG3 GLU 19 -18.990 -3.977 6.605 152 H ALA 20 H ALA 20 -15.470 -5.395 7.681 153 HA ALA 20 HA ALA 20 -16.312 -8.098 8.043 154 HB1 ALA 20 HB1 ALA 20 -17.945 -7.496 6.278 155 HB2 ALA 20 HB2 ALA 20 -16.784 -8.686 5.686 156 HB3 ALA 20 HB3 ALA 20 -16.625 -6.991 5.221 157 H ASP 21 H ASP 21 -14.200 -8.533 8.682 158 HA ASP 21 HA ASP 21 -11.870 -7.757 7.121 159 HB2 ASP 21 HB2 ASP 21 -10.568 -8.853 8.923 160 HB3 ASP 21 HB3 ASP 21 -11.730 -7.701 9.564 161 H GLY 22 H GLY 22 -10.089 -9.597 6.909 162 HA2 GLY 22 HA2 GLY 22 -9.380 -11.474 5.767 163 HA3 GLY 22 HA3 GLY 22 -10.942 -12.217 6.110 164 H ILE 23 H ILE 23 -9.502 -9.655 4.084 165 HA ILE 23 HA ILE 23 -11.224 -10.334 1.806 166 HB ILE 23 HB ILE 23 -12.539 -8.821 3.323 167 HG12 ILE 23 HG12 ILE 23 -11.847 -7.451 0.688 168 HG13 ILE 23 HG13 ILE 23 -12.925 -8.836 0.831 169 HG21 ILE 23 HG21 ILE 23 -10.693 -7.511 4.288 170 HG22 ILE 23 HG22 ILE 23 -11.935 -6.457 3.613 171 HG23 ILE 23 HG23 ILE 23 -10.427 -6.715 2.733 172 HD11 ILE 23 HD11 ILE 23 -14.432 -7.481 2.231 173 HD12 ILE 23 HD12 ILE 23 -14.179 -6.801 0.624 174 HD13 ILE 23 HD13 ILE 23 -13.354 -6.098 2.013 175 H SER 24 H SER 24 -10.578 -9.226 -0.196 176 HA SER 24 HA SER 24 -7.745 -8.643 -0.394 177 HB2 SER 24 HB2 SER 24 -9.935 -8.471 -2.513 178 HB3 SER 24 HB3 SER 24 -8.207 -8.306 -2.831 179 HG SER 24 HG SER 24 -8.130 -10.510 -1.758 180 H ILE 25 H ILE 25 -6.811 -6.698 -1.071 181 HA ILE 25 HA ILE 25 -7.657 -4.232 -0.147 182 HB ILE 25 HB ILE 25 -5.704 -4.969 -2.355 183 HG12 ILE 25 HG12 ILE 25 -5.167 -3.974 0.485 184 HG13 ILE 25 HG13 ILE 25 -5.161 -5.666 0.004 185 HG21 ILE 25 HG21 ILE 25 -6.448 -2.705 -2.883 186 HG22 ILE 25 HG22 ILE 25 -4.788 -2.679 -2.296 187 HG23 ILE 25 HG23 ILE 25 -6.100 -2.179 -1.233 188 HD11 ILE 25 HD11 ILE 25 -2.906 -4.810 0.182 189 HD12 ILE 25 HD12 ILE 25 -3.257 -3.540 -0.986 190 HD13 ILE 25 HD13 ILE 25 -3.262 -5.230 -1.493 191 HA PRO 26 HA PRO 26 -9.372 -2.965 -4.569 192 HB2 PRO 26 HB2 PRO 26 -9.989 -4.926 -6.404 193 HB3 PRO 26 HB3 PRO 26 -8.415 -4.121 -6.334 194 HG2 PRO 26 HG2 PRO 26 -9.237 -6.782 -5.163 195 HG3 PRO 26 HG3 PRO 26 -7.783 -6.376 -6.106 196 HD2 PRO 26 HD2 PRO 26 -7.689 -6.549 -3.414 197 HD3 PRO 26 HD3 PRO 26 -6.735 -5.327 -4.285 198 H GLU 27 H GLU 27 -10.545 -5.913 -3.018 199 HA GLU 27 HA GLU 27 -13.301 -5.684 -3.749 200 HB2 GLU 27 HB2 GLU 27 -11.803 -7.284 -1.661 201 HB3 GLU 27 HB3 GLU 27 -13.564 -7.274 -1.667 202 HG2 GLU 27 HG2 GLU 27 -11.873 -8.087 -4.053 203 HG3 GLU 27 HG3 GLU 27 -12.507 -9.216 -2.855 204 H LEU 28 H LEU 28 -11.598 -4.891 -0.671 205 HA LEU 28 HA LEU 28 -13.898 -3.738 0.570 206 HB2 LEU 28 HB2 LEU 28 -12.532 -3.236 2.414 207 HB3 LEU 28 HB3 LEU 28 -11.800 -4.662 1.716 208 HG LEU 28 HG LEU 28 -10.244 -2.774 0.512 209 HD11 LEU 28 HD11 LEU 28 -9.684 -0.961 2.065 210 HD12 LEU 28 HD12 LEU 28 -10.982 -1.463 3.147 211 HD13 LEU 28 HD13 LEU 28 -11.361 -0.854 1.534 212 HD21 LEU 28 HD21 LEU 28 -8.524 -3.177 2.214 213 HD22 LEU 28 HD22 LEU 28 -9.380 -4.665 1.812 214 HD23 LEU 28 HD23 LEU 28 -9.746 -3.822 3.319 215 H ALA 29 H ALA 29 -11.348 -2.459 -1.470 216 HA ALA 29 HA ALA 29 -11.532 0.290 -1.187 217 HB1 ALA 29 HB1 ALA 29 -10.621 0.431 -3.474 218 HB2 ALA 29 HB2 ALA 29 -11.052 -1.258 -3.758 219 HB3 ALA 29 HB3 ALA 29 -9.827 -0.853 -2.556 220 H ARG 30 H ARG 30 -13.551 -1.832 -3.193 221 HA ARG 30 HA ARG 30 -15.084 0.103 -4.570 222 HB2 ARG 30 HB2 ARG 30 -15.942 -2.715 -3.770 223 HB3 ARG 30 HB3 ARG 30 -16.642 -1.743 -5.068 224 HG2 ARG 30 HG2 ARG 30 -14.515 -1.845 -6.304 225 HG3 ARG 30 HG3 ARG 30 -13.787 -2.770 -4.993 226 HD2 ARG 30 HD2 ARG 30 -15.531 -4.558 -5.399 227 HD3 ARG 30 HD3 ARG 30 -16.040 -3.650 -6.830 228 HE ARG 30 HE ARG 30 -13.343 -4.837 -6.453 229 HH11 ARG 30 HH11 ARG 30 -15.900 -3.901 -8.614 230 HH12 ARG 30 HH12 ARG 30 -15.145 -4.652 -9.975 231 HH21 ARG 30 HH21 ARG 30 -12.421 -5.773 -8.213 232 HH22 ARG 30 HH22 ARG 30 -13.210 -5.705 -9.749 233 H LYS 31 H LYS 31 -15.561 -1.475 -1.444 234 HA LYS 31 HA LYS 31 -18.253 -0.587 -0.977 235 HB2 LYS 31 HB2 LYS 31 -16.264 -1.578 1.102 236 HB3 LYS 31 HB3 LYS 31 -18.028 -1.596 1.211 237 HG2 LYS 31 HG2 LYS 31 -18.122 -3.256 -0.618 238 HG3 LYS 31 HG3 LYS 31 -16.354 -3.219 -0.740 239 HD2 LYS 31 HD2 LYS 31 -16.319 -3.945 1.729 240 HD3 LYS 31 HD3 LYS 31 -18.055 -4.251 1.562 241 HE2 LYS 31 HE2 LYS 31 -15.842 -5.548 -0.052 242 HE3 LYS 31 HE3 LYS 31 -16.751 -6.304 1.255 243 HZ1 LYS 31 HZ1 LYS 31 -18.764 -6.031 -0.100 244 HZ2 LYS 31 HZ2 LYS 31 -17.610 -7.013 -0.844 245 HZ3 LYS 31 HZ3 LYS 31 -17.827 -5.421 -1.363 246 H VAL 32 H VAL 32 -15.045 0.453 0.123 247 HA VAL 32 HA VAL 32 -16.076 2.620 1.790 248 HB VAL 32 HB VAL 32 -13.751 3.007 2.430 249 HG11 VAL 32 HG11 VAL 32 -13.256 0.837 3.496 250 HG12 VAL 32 HG12 VAL 32 -14.416 0.038 2.427 251 HG13 VAL 32 HG13 VAL 32 -14.974 1.233 3.604 252 HG21 VAL 32 HG21 VAL 32 -12.966 0.900 0.373 253 HG22 VAL 32 HG22 VAL 32 -11.873 1.656 1.536 254 HG23 VAL 32 HG23 VAL 32 -12.623 2.628 0.270 255 H ASN 33 H ASN 33 -15.570 2.293 -1.433 256 HA ASN 33 HA ASN 33 -15.674 3.678 -3.215 257 HB2 ASN 33 HB2 ASN 33 -16.170 5.862 -1.147 258 HB3 ASN 33 HB3 ASN 33 -16.393 6.059 -2.881 259 HD21 ASN 33 HD21 ASN 33 -18.117 4.934 -3.898 260 HD22 ASN 33 HD22 ASN 33 -19.453 4.333 -2.986 261 H LEU 34 H LEU 34 -13.057 3.482 -1.406 262 HA LEU 34 HA LEU 34 -11.492 5.677 -2.573 263 HB2 LEU 34 HB2 LEU 34 -10.500 3.318 -0.907 264 HB3 LEU 34 HB3 LEU 34 -9.573 4.739 -1.357 265 HG LEU 34 HG LEU 34 -11.971 4.731 0.529 266 HD11 LEU 34 HD11 LEU 34 -10.329 5.186 2.307 267 HD12 LEU 34 HD12 LEU 34 -9.008 5.021 1.145 268 HD13 LEU 34 HD13 LEU 34 -10.029 3.632 1.531 269 HD21 LEU 34 HD21 LEU 34 -11.810 6.862 -0.684 270 HD22 LEU 34 HD22 LEU 34 -10.112 7.022 -0.226 271 HD23 LEU 34 HD23 LEU 34 -11.373 7.079 1.011 272 H SER 35 H SER 35 -9.904 5.365 -4.184 273 HA SER 35 HA SER 35 -10.112 3.244 -6.042 274 HB2 SER 35 HB2 SER 35 -9.150 5.479 -6.587 275 HB3 SER 35 HB3 SER 35 -7.739 5.113 -5.592 276 HG SER 35 HG SER 35 -7.351 4.667 -7.792 277 H VAL 36 H VAL 36 -8.580 1.507 -6.519 278 HA VAL 36 HA VAL 36 -7.886 -0.127 -4.354 279 HB VAL 36 HB VAL 36 -6.682 -0.225 -7.153 280 HG11 VAL 36 HG11 VAL 36 -6.856 -2.431 -5.061 281 HG12 VAL 36 HG12 VAL 36 -5.385 -1.631 -5.627 282 HG13 VAL 36 HG13 VAL 36 -6.313 -2.648 -6.730 283 HG21 VAL 36 HG21 VAL 36 -8.486 -1.831 -7.707 284 HG22 VAL 36 HG22 VAL 36 -9.137 -0.251 -7.263 285 HG23 VAL 36 HG23 VAL 36 -9.194 -1.586 -6.108 286 H GLU 37 H GLU 37 -5.799 1.981 -6.315 287 HA GLU 37 HA GLU 37 -3.347 1.593 -4.984 288 HB2 GLU 37 HB2 GLU 37 -4.352 4.098 -6.384 289 HB3 GLU 37 HB3 GLU 37 -2.671 3.775 -5.960 290 HG2 GLU 37 HG2 GLU 37 -2.739 1.779 -7.477 291 HG3 GLU 37 HG3 GLU 37 -4.363 2.250 -7.965 292 H SER 38 H SER 38 -5.926 4.002 -4.313 293 HA SER 38 HA SER 38 -4.701 5.368 -2.148 294 HB2 SER 38 HB2 SER 38 -7.650 4.971 -2.786 295 HB3 SER 38 HB3 SER 38 -7.070 6.034 -1.501 296 HG SER 38 HG SER 38 -6.189 6.288 -4.179 297 H THR 39 H THR 39 -6.476 2.372 -2.300 298 HA THR 39 HA THR 39 -6.925 2.072 0.528 299 HB THR 39 HB THR 39 -7.248 0.129 -1.797 300 HG1 THR 39 HG1 THR 39 -8.884 1.488 -2.015 301 HG21 THR 39 HG21 THR 39 -6.919 -1.182 0.265 302 HG22 THR 39 HG22 THR 39 -8.599 -1.271 -0.267 303 HG23 THR 39 HG23 THR 39 -8.158 -0.227 1.085 304 H ALA 40 H ALA 40 -4.777 0.389 -1.822 305 HA ALA 40 HA ALA 40 -3.496 -1.396 -0.071 306 HB1 ALA 40 HB1 ALA 40 -2.412 -0.198 -2.644 307 HB2 ALA 40 HB2 ALA 40 -3.457 -1.613 -2.526 308 HB3 ALA 40 HB3 ALA 40 -1.824 -1.668 -1.860 309 H LEU 41 H LEU 41 -2.520 1.819 -1.126 310 HA LEU 41 HA LEU 41 -0.090 2.056 0.299 311 HB2 LEU 41 HB2 LEU 41 -0.576 3.395 -1.640 312 HB3 LEU 41 HB3 LEU 41 -2.037 4.031 -0.930 313 HG LEU 41 HG LEU 41 0.016 5.593 -1.190 314 HD11 LEU 41 HD11 LEU 41 -1.994 6.228 0.021 315 HD12 LEU 41 HD12 LEU 41 -0.543 6.873 0.782 316 HD13 LEU 41 HD13 LEU 41 -1.366 5.482 1.493 317 HD21 LEU 41 HD21 LEU 41 0.916 4.208 1.352 318 HD22 LEU 41 HD22 LEU 41 1.645 5.632 0.606 319 HD23 LEU 41 HD23 LEU 41 1.708 4.078 -0.223 320 H ALA 42 H ALA 42 -3.452 2.855 1.144 321 HA ALA 42 HA ALA 42 -2.948 4.031 3.698 322 HB1 ALA 42 HB1 ALA 42 -5.485 2.701 2.674 323 HB2 ALA 42 HB2 ALA 42 -5.040 4.394 2.447 324 HB3 ALA 42 HB3 ALA 42 -5.363 3.779 4.068 325 H VAL 43 H VAL 43 -3.506 0.656 2.656 326 HA VAL 43 HA VAL 43 -3.670 -0.654 5.138 327 HB VAL 43 HB VAL 43 -2.454 -1.660 2.518 328 HG11 VAL 43 HG11 VAL 43 -3.277 -3.311 4.944 329 HG12 VAL 43 HG12 VAL 43 -1.629 -3.065 4.362 330 HG13 VAL 43 HG13 VAL 43 -2.784 -3.968 3.381 331 HG21 VAL 43 HG21 VAL 43 -4.619 -2.787 2.147 332 HG22 VAL 43 HG22 VAL 43 -4.837 -1.046 2.302 333 HG23 VAL 43 HG23 VAL 43 -5.245 -2.105 3.651 334 H GLY 44 H GLY 44 -0.868 0.368 3.214 335 HA2 GLY 44 HA2 GLY 44 1.212 -0.591 4.867 336 HA3 GLY 44 HA3 GLY 44 1.330 0.752 3.744 337 H TRP 45 H TRP 45 -0.702 2.407 5.080 338 HA TRP 45 HA TRP 45 0.857 3.650 7.144 339 HB2 TRP 45 HB2 TRP 45 -0.715 4.932 5.692 340 HB3 TRP 45 HB3 TRP 45 -2.079 4.106 6.440 341 HD1 TRP 45 HD1 TRP 45 -2.939 5.084 8.768 342 HE1 TRP 45 HE1 TRP 45 -2.295 7.116 10.182 343 HE3 TRP 45 HE3 TRP 45 1.423 6.334 6.427 344 HZ2 TRP 45 HZ2 TRP 45 -0.218 9.014 10.309 345 HZ3 TRP 45 HZ3 TRP 45 2.691 8.272 7.262 346 HH2 TRP 45 HH2 TRP 45 1.888 9.581 9.166 347 H LEU 46 H LEU 46 -1.989 1.513 7.157 348 HA LEU 46 HA LEU 46 -2.327 1.361 9.982 349 HB2 LEU 46 HB2 LEU 46 -3.089 -0.573 7.768 350 HB3 LEU 46 HB3 LEU 46 -3.554 -0.797 9.450 351 HG LEU 46 HG LEU 46 -4.382 1.561 7.709 352 HD11 LEU 46 HD11 LEU 46 -5.463 -0.521 6.983 353 HD12 LEU 46 HD12 LEU 46 -6.624 0.583 7.719 354 HD13 LEU 46 HD13 LEU 46 -6.038 -0.811 8.631 355 HD21 LEU 46 HD21 LEU 46 -5.229 0.836 10.541 356 HD22 LEU 46 HD22 LEU 46 -5.883 2.160 9.571 357 HD23 LEU 46 HD23 LEU 46 -4.197 2.195 10.078 358 H ALA 47 H ALA 47 -0.356 -0.534 7.690 359 HA ALA 47 HA ALA 47 0.761 -2.400 9.458 360 HB1 ALA 47 HB1 ALA 47 2.057 -1.157 7.006 361 HB2 ALA 47 HB2 ALA 47 0.996 -2.565 7.011 362 HB3 ALA 47 HB3 ALA 47 2.572 -2.649 7.800 363 H ARG 48 H ARG 48 1.821 0.942 8.686 364 HA ARG 48 HA ARG 48 4.080 1.214 10.311 365 HB2 ARG 48 HB2 ARG 48 3.560 3.044 8.875 366 HB3 ARG 48 HB3 ARG 48 1.905 3.149 9.454 367 HG2 ARG 48 HG2 ARG 48 2.768 4.009 11.644 368 HG3 ARG 48 HG3 ARG 48 4.396 3.992 10.967 369 HD2 ARG 48 HD2 ARG 48 3.668 5.626 9.245 370 HD3 ARG 48 HD3 ARG 48 2.054 5.651 9.970 371 HE ARG 48 HE ARG 48 3.361 6.380 12.081 372 HH11 ARG 48 HH11 ARG 48 4.200 7.379 8.870 373 HH12 ARG 48 HH12 ARG 48 4.863 8.874 9.407 374 HH21 ARG 48 HH21 ARG 48 4.206 8.280 12.723 375 HH22 ARG 48 HH22 ARG 48 4.892 9.370 11.570 376 H GLU 49 H GLU 49 0.657 1.767 11.158 377 HA GLU 49 HA GLU 49 1.145 2.208 13.978 378 HB2 GLU 49 HB2 GLU 49 -1.488 1.748 12.515 379 HB3 GLU 49 HB3 GLU 49 -1.296 2.425 14.133 380 HG2 GLU 49 HG2 GLU 49 -0.141 4.383 13.176 381 HG3 GLU 49 HG3 GLU 49 -0.317 3.708 11.556 382 H ASN 50 H ASN 50 1.077 -0.534 12.114 383 HA ASN 50 HA ASN 50 1.007 -2.751 12.382 384 HB2 ASN 50 HB2 ASN 50 1.354 -2.069 15.333 385 HB3 ASN 50 HB3 ASN 50 1.511 -3.694 14.664 386 HD21 ASN 50 HD21 ASN 50 2.960 -0.515 14.812 387 HD22 ASN 50 HD22 ASN 50 4.490 -0.966 14.158 388 H LYS 51 H LYS 51 -1.519 -1.169 12.506 389 HA LYS 51 HA LYS 51 -3.372 -2.582 14.172 390 HB2 LYS 51 HB2 LYS 51 -3.786 -0.512 11.990 391 HB3 LYS 51 HB3 LYS 51 -5.102 -1.190 12.948 392 HG2 LYS 51 HG2 LYS 51 -2.785 0.493 13.960 393 HG3 LYS 51 HG3 LYS 51 -4.482 0.975 13.851 394 HD2 LYS 51 HD2 LYS 51 -3.320 -1.166 15.690 395 HD3 LYS 51 HD3 LYS 51 -3.867 0.435 16.180 396 HE2 LYS 51 HE2 LYS 51 -6.178 -0.152 15.628 397 HE3 LYS 51 HE3 LYS 51 -5.665 -1.713 14.991 398 HZ1 LYS 51 HZ1 LYS 51 -6.553 -1.946 17.195 399 HZ2 LYS 51 HZ2 LYS 51 -5.450 -0.827 17.813 400 HZ3 LYS 51 HZ3 LYS 51 -4.900 -2.309 17.217 401 H VAL 52 H VAL 52 -1.962 -3.465 11.268 402 HA VAL 52 HA VAL 52 -4.137 -5.387 10.689 403 HB VAL 52 HB VAL 52 -3.634 -5.204 8.235 404 HG11 VAL 52 HG11 VAL 52 -4.863 -3.101 7.844 405 HG12 VAL 52 HG12 VAL 52 -4.568 -2.607 9.514 406 HG13 VAL 52 HG13 VAL 52 -5.571 -4.020 9.173 407 HG21 VAL 52 HG21 VAL 52 -1.350 -4.266 8.353 408 HG22 VAL 52 HG22 VAL 52 -1.983 -2.760 9.020 409 HG23 VAL 52 HG23 VAL 52 -2.390 -3.234 7.368 410 H VAL 53 H VAL 53 -3.533 -7.400 9.920 411 HA VAL 53 HA VAL 53 -0.649 -8.013 9.597 412 HB VAL 53 HB VAL 53 -1.136 -10.383 10.353 413 HG11 VAL 53 HG11 VAL 53 -1.096 -9.895 12.785 414 HG12 VAL 53 HG12 VAL 53 -1.638 -8.243 12.466 415 HG13 VAL 53 HG13 VAL 53 -0.055 -8.779 11.895 416 HG21 VAL 53 HG21 VAL 53 -3.785 -9.245 11.316 417 HG22 VAL 53 HG22 VAL 53 -3.153 -10.845 11.723 418 HG23 VAL 53 HG23 VAL 53 -3.566 -10.459 10.052 419 H ILE 54 H ILE 54 -0.160 -8.632 7.594 420 HA ILE 54 HA ILE 54 -2.314 -9.325 5.682 421 HB ILE 54 HB ILE 54 0.496 -8.241 5.145 422 HG12 ILE 54 HG12 ILE 54 -0.908 -6.340 4.020 423 HG13 ILE 54 HG13 ILE 54 -2.279 -6.989 4.910 424 HG21 ILE 54 HG21 ILE 54 -1.604 -9.070 3.104 425 HG22 ILE 54 HG22 ILE 54 -0.045 -9.849 3.385 426 HG23 ILE 54 HG23 ILE 54 -0.105 -8.213 2.732 427 HD11 ILE 54 HD11 ILE 54 -1.300 -5.072 6.020 428 HD12 ILE 54 HD12 ILE 54 0.264 -5.882 6.104 429 HD13 ILE 54 HD13 ILE 54 -1.111 -6.517 7.012 430 H GLU 55 H GLU 55 -2.458 -11.369 4.944 431 HA GLU 55 HA GLU 55 -0.156 -13.218 5.279 432 HB2 GLU 55 HB2 GLU 55 -3.105 -13.818 5.727 433 HB3 GLU 55 HB3 GLU 55 -1.831 -15.035 5.710 434 HG2 GLU 55 HG2 GLU 55 -0.779 -13.890 7.677 435 HG3 GLU 55 HG3 GLU 55 -2.152 -12.778 7.719 436 H ARG 56 H ARG 56 0.217 -14.749 3.692 437 HA ARG 56 HA ARG 56 -1.317 -14.584 1.178 438 HB2 ARG 56 HB2 ARG 56 1.403 -15.802 1.814 439 HB3 ARG 56 HB3 ARG 56 0.595 -16.007 0.261 440 HG2 ARG 56 HG2 ARG 56 0.643 -13.523 -0.048 441 HG3 ARG 56 HG3 ARG 56 1.556 -13.381 1.462 442 HD2 ARG 56 HD2 ARG 56 3.400 -14.641 0.537 443 HD3 ARG 56 HD3 ARG 56 2.475 -15.055 -0.908 444 HE ARG 56 HE ARG 56 3.816 -12.537 -0.315 445 HH11 ARG 56 HH11 ARG 56 1.535 -14.112 -2.415 446 HH12 ARG 56 HH12 ARG 56 1.860 -13.037 -3.722 447 HH21 ARG 56 HH21 ARG 56 4.205 -11.196 -2.017 448 HH22 ARG 56 HH22 ARG 56 3.350 -11.416 -3.505 449 H LYS 57 H LYS 57 -2.997 -15.950 1.118 450 HA LYS 57 HA LYS 57 -2.744 -18.741 2.103 451 HB2 LYS 57 HB2 LYS 57 -5.184 -17.018 1.514 452 HB3 LYS 57 HB3 LYS 57 -5.312 -18.765 1.623 453 HG2 LYS 57 HG2 LYS 57 -5.988 -17.872 3.716 454 HG3 LYS 57 HG3 LYS 57 -4.421 -18.646 3.959 455 HD2 LYS 57 HD2 LYS 57 -3.313 -16.447 3.965 456 HD3 LYS 57 HD3 LYS 57 -4.850 -15.647 3.612 457 HE2 LYS 57 HE2 LYS 57 -4.352 -15.437 5.982 458 HE3 LYS 57 HE3 LYS 57 -5.751 -16.484 5.774 459 HZ1 LYS 57 HZ1 LYS 57 -2.971 -17.348 6.333 460 HZ2 LYS 57 HZ2 LYS 57 -4.269 -18.395 6.064 461 HZ3 LYS 57 HZ3 LYS 57 -4.272 -17.374 7.411 462 H ASN 58 H ASN 58 -2.173 -20.167 0.587 463 HA ASN 58 HA ASN 58 -1.588 -21.126 -1.380 464 HB2 ASN 58 HB2 ASN 58 -4.304 -20.096 -2.301 465 HB3 ASN 58 HB3 ASN 58 -3.413 -21.441 -3.011 466 HD21 ASN 58 HD21 ASN 58 -6.093 -21.296 -1.726 467 HD22 ASN 58 HD22 ASN 58 -6.069 -22.500 -0.493 468 H GLY 59 H GLY 59 -0.657 -18.448 -1.021 469 HA2 GLY 59 HA2 GLY 59 0.753 -17.076 -2.319 470 HA3 GLY 59 HA3 GLY 59 -0.087 -17.583 -3.773 471 H LEU 60 H LEU 60 -2.750 -16.964 -2.376 472 HA LEU 60 HA LEU 60 -3.059 -14.332 -3.491 473 HB2 LEU 60 HB2 LEU 60 -4.996 -16.162 -2.015 474 HB3 LEU 60 HB3 LEU 60 -5.457 -14.574 -2.605 475 HG LEU 60 HG LEU 60 -4.870 -15.367 -4.953 476 HD11 LEU 60 HD11 LEU 60 -4.779 -17.770 -5.420 477 HD12 LEU 60 HD12 LEU 60 -4.772 -18.120 -3.689 478 HD13 LEU 60 HD13 LEU 60 -3.416 -17.260 -4.422 479 HD21 LEU 60 HD21 LEU 60 -7.110 -16.845 -3.536 480 HD22 LEU 60 HD22 LEU 60 -6.985 -16.570 -5.277 481 HD23 LEU 60 HD23 LEU 60 -7.191 -15.203 -4.183 482 H ILE 61 H ILE 61 -3.198 -12.374 -2.473 483 HA ILE 61 HA ILE 61 -2.336 -12.226 0.324 484 HB ILE 61 HB ILE 61 -2.574 -10.097 -1.844 485 HG12 ILE 61 HG12 ILE 61 -0.127 -11.494 -0.664 486 HG13 ILE 61 HG13 ILE 61 -0.815 -11.814 -2.252 487 HG21 ILE 61 HG21 ILE 61 -1.392 -9.810 0.944 488 HG22 ILE 61 HG22 ILE 61 -2.863 -9.034 0.355 489 HG23 ILE 61 HG23 ILE 61 -1.301 -8.595 -0.334 490 HD11 ILE 61 HD11 ILE 61 0.472 -9.244 -1.352 491 HD12 ILE 61 HD12 ILE 61 -0.225 -9.544 -2.948 492 HD13 ILE 61 HD13 ILE 61 1.172 -10.471 -2.404 493 H GLU 62 H GLU 62 -3.683 -11.815 1.946 494 HA GLU 62 HA GLU 62 -6.261 -10.397 1.546 495 HB2 GLU 62 HB2 GLU 62 -5.739 -12.825 3.335 496 HB3 GLU 62 HB3 GLU 62 -7.234 -11.894 3.321 497 HG2 GLU 62 HG2 GLU 62 -6.155 -13.426 0.931 498 HG3 GLU 62 HG3 GLU 62 -7.322 -14.075 2.080 499 H ILE 63 H ILE 63 -6.709 -8.833 3.077 500 HA ILE 63 HA ILE 63 -4.678 -8.222 5.120 501 HB ILE 63 HB ILE 63 -5.263 -6.351 3.661 502 HG12 ILE 63 HG12 ILE 63 -6.311 -5.977 6.507 503 HG13 ILE 63 HG13 ILE 63 -4.662 -5.720 5.950 504 HG21 ILE 63 HG21 ILE 63 -8.135 -6.650 4.599 505 HG22 ILE 63 HG22 ILE 63 -7.523 -7.004 2.984 506 HG23 ILE 63 HG23 ILE 63 -7.520 -5.346 3.580 507 HD11 ILE 63 HD11 ILE 63 -5.458 -3.817 4.593 508 HD12 ILE 63 HD12 ILE 63 -5.771 -3.617 6.315 509 HD13 ILE 63 HD13 ILE 63 -7.086 -4.069 5.232 510 H TYR 64 H TYR 64 -5.058 -8.297 7.273 511 HA TYR 64 HA TYR 64 -7.739 -8.988 8.353 512 HB2 TYR 64 HB2 TYR 64 -5.048 -10.226 9.114 513 HB3 TYR 64 HB3 TYR 64 -6.551 -10.542 9.962 514 HD1 TYR 64 HD2 TYR 64 -8.364 -11.856 8.823 515 HD2 TYR 64 HD1 TYR 64 -4.525 -11.337 7.018 516 HE1 TYR 64 HE2 TYR 64 -8.851 -13.684 7.259 517 HE2 TYR 64 HE1 TYR 64 -5.018 -13.162 5.454 518 HH TYR 64 HH TYR 64 -8.097 -14.364 4.942 519 H ASN 65 H ASN 65 -7.834 -8.571 10.793 520 HA ASN 65 HA ASN 65 -6.473 -6.099 11.611 521 HB2 ASN 65 HB2 ASN 65 -8.475 -7.861 13.113 522 HB3 ASN 65 HB3 ASN 65 -7.892 -6.294 13.669 523 HD21 ASN 65 HD21 ASN 65 -8.749 -4.428 12.743 524 HD22 ASN 65 HD22 ASN 65 -10.113 -4.454 11.697 525 H GLU 66 H GLU 66 -5.108 -5.956 13.496 526 HA GLU 66 HA GLU 66 -3.564 -8.259 14.266 527 HB2 GLU 66 HB2 GLU 66 -2.684 -6.652 16.106 528 HB3 GLU 66 HB3 GLU 66 -2.333 -6.270 14.433 529 HG2 GLU 66 HG2 GLU 66 -2.906 -4.284 15.763 530 HG3 GLU 66 HG3 GLU 66 -3.983 -4.530 14.401 531 H GLY 67 H GLY 67 -3.260 -8.183 17.010 532 HA2 GLY 67 HA2 GLY 67 -4.152 -9.006 18.970 533 HA3 GLY 67 HA3 GLY 67 -5.738 -8.483 18.426 534 H HIS 68 H HIS 68 -3.832 -10.610 16.452 535 HA HIS 68 HA HIS 68 -5.552 -12.943 17.107 536 HB2 HIS 68 HB2 HIS 68 -4.174 -12.130 14.505 537 HB3 HIS 68 HB3 HIS 68 -4.862 -13.733 14.758 538 HD1 HIS 68 HD1 HIS 68 -6.149 -10.155 15.153 539 HD2 HIS 68 HD2 HIS 68 -7.371 -13.853 13.712 540 HE1 HIS 68 HE1 HIS 68 -8.481 -9.803 14.323 541 HE2 HIS 68 HE2 HIS 68 -9.263 -12.086 13.649 542 H PHE 69 H PHE 69 -2.235 -12.027 16.105 543 HA PHE 69 HA PHE 69 -1.109 -14.530 17.168 544 HB2 PHE 69 HB2 PHE 69 0.278 -12.216 15.720 545 HB3 PHE 69 HB3 PHE 69 1.004 -13.771 16.119 546 HD1 PHE 69 HD2 PHE 69 0.190 -15.866 14.967 547 HD2 PHE 69 HD1 PHE 69 -1.125 -11.976 13.750 548 HE1 PHE 69 HE2 PHE 69 -0.615 -16.797 12.836 549 HE2 PHE 69 HE1 PHE 69 -1.931 -12.919 11.622 550 HZ PHE 69 HZ PHE 69 -1.678 -15.330 11.163 551 H ASP 70 H ASP 70 -0.184 -14.655 19.130 552 HA ASP 70 HA ASP 70 -0.520 -12.478 20.984 553 HB2 ASP 70 HB2 ASP 70 0.651 -15.252 21.468 554 HB3 ASP 70 HB3 ASP 70 0.075 -14.131 22.700 555 H PHE 71 H PHE 71 0.972 -11.028 21.573 556 HA PHE 71 HA PHE 71 3.764 -11.231 20.796 557 HB2 PHE 71 HB2 PHE 71 2.306 -9.112 22.442 558 HB3 PHE 71 HB3 PHE 71 3.964 -8.977 21.858 559 HD1 PHE 71 HD1 PHE 71 4.432 -8.602 19.464 560 HD2 PHE 71 HD2 PHE 71 0.406 -8.886 20.888 561 HE1 PHE 71 HE1 PHE 71 3.607 -7.695 17.331 562 HE2 PHE 71 HE2 PHE 71 -0.407 -7.975 18.752 563 HZ PHE 71 HZ PHE 71 1.190 -7.380 16.973 564 H SER 72 H SER 72 5.548 -11.321 22.196 565 HA SER 72 HA SER 72 6.840 -12.185 23.834 566 HB2 SER 72 HB2 SER 72 5.763 -10.454 25.301 567 HB3 SER 72 HB3 SER 72 4.529 -11.629 25.754 568 HG SER 72 HG SER 72 5.884 -12.155 27.275 569 H PHE 73 H PHE 73 5.126 -13.899 22.252 570 HA PHE 73 HA PHE 73 4.760 -16.273 24.022 571 HB2 PHE 73 HB2 PHE 73 2.700 -15.375 22.894 572 HB3 PHE 73 HB3 PHE 73 3.447 -15.661 21.329 573 HD1 PHE 73 HD2 PHE 73 2.586 -17.535 24.486 574 HD2 PHE 73 HD1 PHE 73 2.881 -17.666 20.216 575 HE1 PHE 73 HE2 PHE 73 1.652 -19.813 24.485 576 HE2 PHE 73 HE1 PHE 73 1.951 -19.946 20.231 577 HZ PHE 73 HZ PHE 73 1.338 -21.021 22.362 578 H GLY 74 H GLY 74 7.014 -15.040 22.051 579 HA2 GLY 74 HA2 GLY 74 8.916 -16.344 21.284 580 HA3 GLY 74 HA3 GLY 74 7.805 -17.609 20.768 581 H LEU 75 H LEU 75 6.456 -17.230 18.940 582 HA LEU 75 HA LEU 75 5.734 -16.509 16.943 583 HB2 LEU 75 HB2 LEU 75 7.010 -13.850 17.641 584 HB3 LEU 75 HB3 LEU 75 5.961 -14.113 16.253 585 HG LEU 75 HG LEU 75 5.134 -14.344 19.185 586 HD11 LEU 75 HD11 LEU 75 3.781 -12.337 18.769 587 HD12 LEU 75 HD12 LEU 75 4.420 -12.232 17.127 588 HD13 LEU 75 HD13 LEU 75 5.498 -12.025 18.509 589 HD21 LEU 75 HD21 LEU 75 3.421 -14.670 16.690 590 HD22 LEU 75 HD22 LEU 75 2.827 -14.643 18.353 591 HD23 LEU 75 HD23 LEU 75 3.876 -15.953 17.814 592 H GLU 76 H GLU 76 9.101 -15.351 17.362 593 HA GLU 76 HA GLU 76 9.911 -15.490 14.679 594 HB2 GLU 76 HB2 GLU 76 11.195 -14.248 16.374 595 HB3 GLU 76 HB3 GLU 76 11.562 -15.744 17.227 596 HG2 GLU 76 HG2 GLU 76 12.865 -16.527 15.255 597 HG3 GLU 76 HG3 GLU 76 12.529 -14.995 14.446 598 H HIS 77 H HIS 77 10.014 -17.217 13.427 599 HA HIS 77 HA HIS 77 11.151 -19.783 14.424 600 HB2 HIS 77 HB2 HIS 77 9.315 -19.308 12.017 601 HB3 HIS 77 HB3 HIS 77 10.016 -20.860 12.464 602 HD1 HIS 77 HD1 HIS 77 9.062 -22.008 14.625 603 HD2 HIS 77 HD2 HIS 77 7.038 -18.580 13.444 604 HE1 HIS 77 HE1 HIS 77 6.889 -22.045 15.880 605 HE2 HIS 77 HE2 HIS 77 5.611 -20.069 15.006 606 H HIS 78 H HIS 78 13.055 -20.437 13.458 607 HA HIS 78 HA HIS 78 14.662 -18.682 11.952 608 HB2 HIS 78 HB2 HIS 78 15.673 -20.408 13.333 609 HB3 HIS 78 HB3 HIS 78 14.907 -21.685 12.397 610 HD1 HIS 78 HD1 HIS 78 16.306 -22.672 10.594 611 HD2 HIS 78 HD2 HIS 78 17.683 -18.916 11.713 612 HE1 HIS 78 HE1 HIS 78 18.453 -22.346 9.347 613 HE2 HIS 78 HE2 HIS 78 19.364 -20.179 10.209 614 H HIS 79 H HIS 79 14.100 -17.997 9.972 615 HA HIS 79 HA HIS 79 12.547 -19.408 8.075 616 HB2 HIS 79 HB2 HIS 79 13.022 -17.564 6.521 617 HB3 HIS 79 HB3 HIS 79 12.661 -16.933 8.122 618 HD1 HIS 79 HD1 HIS 79 15.118 -16.730 5.449 619 HD2 HIS 79 HD2 HIS 79 15.100 -16.056 9.549 620 HE1 HIS 79 HE1 HIS 79 17.134 -15.309 5.907 621 HE2 HIS 79 HE2 HIS 79 16.996 -14.770 8.356 622 H HIS 80 H HIS 80 13.187 -20.029 5.872 623 HA HIS 80 HA HIS 80 15.377 -21.906 5.972 624 HB2 HIS 80 HB2 HIS 80 13.529 -21.224 3.638 625 HB3 HIS 80 HB3 HIS 80 14.561 -22.650 3.758 626 HD1 HIS 80 HD1 HIS 80 13.845 -24.437 5.622 627 HD2 HIS 80 HD2 HIS 80 11.048 -21.468 4.835 628 HE1 HIS 80 HE1 HIS 80 11.698 -25.256 6.624 629 HE2 HIS 80 HE2 HIS 80 10.015 -23.460 6.118 630 H HIS 81 H HIS 81 17.416 -21.509 5.403 631 HA HIS 81 HA HIS 81 18.269 -19.044 4.161 632 HB2 HIS 81 HB2 HIS 81 19.568 -20.023 6.004 633 HB3 HIS 81 HB3 HIS 81 19.822 -21.505 5.089 634 HD1 HIS 81 HD1 HIS 81 20.919 -17.896 5.231 635 HD2 HIS 81 HD2 HIS 81 21.985 -21.431 3.327 636 HE1 HIS 81 HE1 HIS 81 23.122 -17.429 4.137 637 HE2 HIS 81 HE2 HIS 81 23.831 -19.633 3.163 638 H HIS 82 H HIS 82 17.510 -19.011 2.078 639 HA HIS 82 HA HIS 82 17.376 -19.321 -0.150 640 HB2 HIS 82 HB2 HIS 82 19.852 -19.059 -0.017 641 HB3 HIS 82 HB3 HIS 82 20.026 -20.799 0.168 642 HD1 HIS 82 HD1 HIS 82 19.435 -18.139 -2.365 643 HD2 HIS 82 HD2 HIS 82 19.632 -22.287 -2.252 644 HE1 HIS 82 HE1 HIS 82 19.619 -18.866 -4.751 645 HE2 HIS 82 HE2 HIS 82 19.481 -21.369 -4.662 646 H1 MET 1 H MET 1 1.801 -12.426 5.098 647 HA MET 1 HA MET 1 1.014 -13.854 6.802 648 HB2 MET 1 HB2 MET 1 2.059 -16.040 7.227 649 HB3 MET 1 HB3 MET 1 1.632 -15.878 5.529 650 HG2 MET 1 HG2 MET 1 3.963 -15.417 4.954 651 HG3 MET 1 HG3 MET 1 4.415 -15.487 6.663 652 HE1 MET 1 HE1 MET 1 6.041 -18.798 5.370 653 HE2 MET 1 HE2 MET 1 6.293 -17.305 6.274 654 HE3 MET 1 HE3 MET 1 5.987 -17.246 4.535 655 H ASP 2 H ASP 2 3.896 -12.234 6.331 656 HA ASP 2 HA ASP 2 4.655 -12.180 9.166 657 HB2 ASP 2 HB2 ASP 2 5.931 -14.055 8.212 658 HB3 ASP 2 HB3 ASP 2 6.498 -13.035 6.893 659 H LYS 3 H LYS 3 6.101 -10.392 9.704 660 HA LYS 3 HA LYS 3 5.413 -7.997 8.205 661 HB2 LYS 3 HB2 LYS 3 5.300 -8.129 10.716 662 HB3 LYS 3 HB3 LYS 3 7.053 -8.234 10.758 663 HG2 LYS 3 HG2 LYS 3 6.400 -5.969 11.269 664 HG3 LYS 3 HG3 LYS 3 7.187 -5.982 9.692 665 HD2 LYS 3 HD2 LYS 3 5.252 -4.515 9.590 666 HD3 LYS 3 HD3 LYS 3 4.934 -5.935 8.594 667 HE2 LYS 3 HE2 LYS 3 2.950 -5.299 9.907 668 HE3 LYS 3 HE3 LYS 3 3.540 -6.887 10.400 669 HZ1 LYS 3 HZ1 LYS 3 2.961 -5.519 12.302 670 HZ2 LYS 3 HZ2 LYS 3 4.063 -4.330 11.822 671 HZ3 LYS 3 HZ3 LYS 3 4.615 -5.854 12.298 672 H LYS 4 H LYS 4 8.316 -9.988 8.611 673 HA LYS 4 HA LYS 4 10.250 -8.130 7.631 674 HB2 LYS 4 HB2 LYS 4 10.305 -11.166 7.376 675 HB3 LYS 4 HB3 LYS 4 11.684 -10.096 7.125 676 HG2 LYS 4 HG2 LYS 4 10.201 -10.515 9.744 677 HG3 LYS 4 HG3 LYS 4 11.760 -11.228 9.310 678 HD2 LYS 4 HD2 LYS 4 12.736 -8.928 9.164 679 HD3 LYS 4 HD3 LYS 4 11.176 -8.255 9.658 680 HE2 LYS 4 HE2 LYS 4 12.909 -10.122 11.318 681 HE3 LYS 4 HE3 LYS 4 12.736 -8.382 11.556 682 HZ1 LYS 4 HZ1 LYS 4 10.353 -8.760 11.960 683 HZ2 LYS 4 HZ2 LYS 4 11.336 -9.540 13.090 684 HZ3 LYS 4 HZ3 LYS 4 10.603 -10.426 11.848 685 H ILE 5 H ILE 5 7.779 -9.959 5.997 686 HA ILE 5 HA ILE 5 8.740 -9.978 3.352 687 HB ILE 5 HB ILE 5 5.844 -9.679 4.281 688 HG12 ILE 5 HG12 ILE 5 7.394 -12.204 3.514 689 HG13 ILE 5 HG13 ILE 5 6.951 -11.744 5.156 690 HG21 ILE 5 HG21 ILE 5 5.215 -10.552 2.034 691 HG22 ILE 5 HG22 ILE 5 6.914 -10.505 1.551 692 HG23 ILE 5 HG23 ILE 5 6.064 -9.006 1.928 693 HD11 ILE 5 HD11 ILE 5 5.479 -13.470 4.302 694 HD12 ILE 5 HD12 ILE 5 5.032 -12.456 2.930 695 HD13 ILE 5 HD13 ILE 5 4.575 -11.979 4.569 696 H VAL 6 H VAL 6 6.528 -7.517 4.869 697 HA VAL 6 HA VAL 6 6.592 -5.742 2.643 698 HB VAL 6 HB VAL 6 5.509 -4.055 4.080 699 HG11 VAL 6 HG11 VAL 6 4.366 -6.839 4.534 700 HG12 VAL 6 HG12 VAL 6 4.088 -5.816 3.121 701 HG13 VAL 6 HG13 VAL 6 3.478 -5.320 4.702 702 HG21 VAL 6 HG21 VAL 6 6.024 -5.954 6.412 703 HG22 VAL 6 HG22 VAL 6 5.052 -4.481 6.488 704 HG23 VAL 6 HG23 VAL 6 6.784 -4.379 6.169 705 H GLY 7 H GLY 7 8.649 -6.030 5.495 706 HA2 GLY 7 HA2 GLY 7 10.092 -3.592 5.295 707 HA3 GLY 7 HA3 GLY 7 10.641 -5.058 6.089 708 H ALA 8 H ALA 8 10.863 -6.864 4.109 709 HA ALA 8 HA ALA 8 13.253 -6.299 2.718 710 HB1 ALA 8 HB1 ALA 8 12.533 -8.586 3.293 711 HB2 ALA 8 HB2 ALA 8 12.856 -8.450 1.564 712 HB3 ALA 8 HB3 ALA 8 11.186 -8.467 2.155 713 H ASN 9 H ASN 9 9.863 -6.246 1.681 714 HA ASN 9 HA ASN 9 10.286 -5.728 -1.077 715 HB2 ASN 9 HB2 ASN 9 7.842 -5.202 0.667 716 HB3 ASN 9 HB3 ASN 9 7.855 -5.050 -1.091 717 HD21 ASN 9 HD21 ASN 9 6.199 -6.795 0.425 718 HD22 ASN 9 HD22 ASN 9 6.585 -8.408 -0.045 719 H ALA 10 H ALA 10 9.883 -3.555 1.735 720 HA ALA 10 HA ALA 10 9.376 -1.182 0.197 721 HB1 ALA 10 HB1 ALA 10 10.184 -1.482 3.109 722 HB2 ALA 10 HB2 ALA 10 8.532 -1.478 2.491 723 HB3 ALA 10 HB3 ALA 10 9.521 -0.025 2.357 724 H GLY 11 H GLY 11 12.258 -2.630 1.686 725 HA2 GLY 11 HA2 GLY 11 14.095 -0.506 1.286 726 HA3 GLY 11 HA3 GLY 11 14.508 -2.206 1.452 727 H LYS 12 H LYS 12 13.105 -3.190 -0.800 728 HA LYS 12 HA LYS 12 14.985 -2.673 -2.918 729 HB2 LYS 12 HB2 LYS 12 13.766 -4.906 -2.281 730 HB3 LYS 12 HB3 LYS 12 12.420 -4.279 -3.224 731 HG2 LYS 12 HG2 LYS 12 13.905 -4.144 -5.217 732 HG3 LYS 12 HG3 LYS 12 15.232 -4.802 -4.249 733 HD2 LYS 12 HD2 LYS 12 13.694 -6.834 -3.818 734 HD3 LYS 12 HD3 LYS 12 12.661 -6.182 -5.097 735 HE2 LYS 12 HE2 LYS 12 15.559 -7.063 -5.376 736 HE3 LYS 12 HE3 LYS 12 14.136 -7.894 -6.009 737 HZ1 LYS 12 HZ1 LYS 12 15.226 -6.653 -7.739 738 HZ2 LYS 12 HZ2 LYS 12 15.125 -5.221 -6.851 739 HZ3 LYS 12 HZ3 LYS 12 13.720 -5.958 -7.423 740 H VAL 13 H VAL 13 11.542 -1.987 -2.386 741 HA VAL 13 HA VAL 13 10.880 -0.819 -4.872 742 HB VAL 13 HB VAL 13 9.594 -0.637 -2.115 743 HG11 VAL 13 HG11 VAL 13 8.517 0.654 -4.652 744 HG12 VAL 13 HG12 VAL 13 9.039 1.496 -3.192 745 HG13 VAL 13 HG13 VAL 13 7.611 0.462 -3.148 746 HG21 VAL 13 HG21 VAL 13 9.404 -2.799 -3.301 747 HG22 VAL 13 HG22 VAL 13 8.686 -1.985 -4.693 748 HG23 VAL 13 HG23 VAL 13 7.823 -2.024 -3.153 749 H TRP 14 H TRP 14 11.857 0.709 -1.791 750 HA TRP 14 HA TRP 14 11.793 3.396 -2.690 751 HB2 TRP 14 HB2 TRP 14 11.871 2.703 -0.252 752 HB3 TRP 14 HB3 TRP 14 13.581 2.344 -0.451 753 HD1 TRP 14 HD1 TRP 14 11.140 5.354 -0.576 754 HE1 TRP 14 HE1 TRP 14 12.467 7.503 -0.125 755 HE3 TRP 14 HE3 TRP 14 15.838 3.393 -0.430 756 HZ2 TRP 14 HZ2 TRP 14 15.145 8.283 0.269 757 HZ3 TRP 14 HZ3 TRP 14 17.754 4.900 -0.007 758 HH2 TRP 14 HH2 TRP 14 17.408 7.303 0.333 759 H HIS 15 H HIS 15 14.351 0.950 -2.770 760 HA HIS 15 HA HIS 15 16.503 2.644 -3.518 761 HB2 HIS 15 HB2 HIS 15 16.677 0.244 -2.644 762 HB3 HIS 15 HB3 HIS 15 16.242 -0.302 -4.261 763 HD1 HIS 15 HD1 HIS 15 18.974 1.519 -2.396 764 HD2 HIS 15 HD2 HIS 15 18.379 -0.315 -6.071 765 HE1 HIS 15 HE1 HIS 15 21.234 1.412 -3.459 766 HE2 HIS 15 HE2 HIS 15 20.878 0.148 -5.595 767 H ALA 16 H ALA 16 14.263 0.658 -5.484 768 HA ALA 16 HA ALA 16 15.227 1.534 -8.044 769 HB1 ALA 16 HB1 ALA 16 12.564 0.261 -7.331 770 HB2 ALA 16 HB2 ALA 16 14.041 -0.605 -7.751 771 HB3 ALA 16 HB3 ALA 16 13.244 0.404 -8.959 772 H LEU 17 H LEU 17 12.840 2.794 -5.809 773 HA LEU 17 HA LEU 17 11.686 4.817 -7.487 774 HB2 LEU 17 HB2 LEU 17 10.499 3.983 -5.550 775 HB3 LEU 17 HB3 LEU 17 11.823 4.362 -4.482 776 HG LEU 17 HG LEU 17 9.645 5.771 -4.362 777 HD11 LEU 17 HD11 LEU 17 12.303 7.209 -4.441 778 HD12 LEU 17 HD12 LEU 17 11.633 6.307 -3.082 779 HD13 LEU 17 HD13 LEU 17 10.828 7.772 -3.644 780 HD21 LEU 17 HD21 LEU 17 10.894 7.162 -6.752 781 HD22 LEU 17 HD22 LEU 17 9.515 7.738 -5.810 782 HD23 LEU 17 HD23 LEU 17 9.382 6.248 -6.740 783 H ASN 18 H ASN 18 14.564 4.650 -5.425 784 HA ASN 18 HA ASN 18 15.265 7.423 -5.539 785 HB2 ASN 18 HB2 ASN 18 16.104 5.550 -3.890 786 HB3 ASN 18 HB3 ASN 18 17.279 5.171 -5.138 787 HD21 ASN 18 HD21 ASN 18 17.624 8.107 -5.839 788 HD22 ASN 18 HD22 ASN 18 18.545 8.743 -4.540 789 H GLU 19 H GLU 19 15.989 4.579 -7.543 790 HA GLU 19 HA GLU 19 17.829 5.854 -9.346 791 HB2 GLU 19 HB2 GLU 19 16.146 3.372 -9.935 792 HB3 GLU 19 HB3 GLU 19 17.660 3.843 -10.702 793 HG2 GLU 19 HG2 GLU 19 17.231 2.731 -7.920 794 HG3 GLU 19 HG3 GLU 19 18.143 2.022 -9.244 795 H ALA 20 H ALA 20 14.374 4.993 -9.560 796 HA ALA 20 HA ALA 20 13.999 6.770 -11.908 797 HB1 ALA 20 HB1 ALA 20 13.473 4.397 -12.345 798 HB2 ALA 20 HB2 ALA 20 12.028 5.401 -12.455 799 HB3 ALA 20 HB3 ALA 20 12.300 4.405 -11.023 800 H ASP 21 H ASP 21 13.824 8.628 -10.596 801 HA ASP 21 HA ASP 21 11.911 8.993 -8.525 802 HB2 ASP 21 HB2 ASP 21 12.382 11.502 -8.991 803 HB3 ASP 21 HB3 ASP 21 13.722 10.494 -8.464 804 H GLY 22 H GLY 22 9.763 9.332 -8.612 805 HA2 GLY 22 HA2 GLY 22 7.662 9.937 -9.371 806 HA3 GLY 22 HA3 GLY 22 8.410 10.700 -10.769 807 H ILE 23 H ILE 23 7.862 7.449 -9.409 808 HA ILE 23 HA ILE 23 7.413 6.379 -12.141 809 HB ILE 23 HB ILE 23 9.544 5.595 -11.126 810 HG12 ILE 23 HG12 ILE 23 9.191 3.112 -11.441 811 HG13 ILE 23 HG13 ILE 23 7.452 3.383 -11.440 812 HG21 ILE 23 HG21 ILE 23 8.950 5.710 -8.751 813 HG22 ILE 23 HG22 ILE 23 9.598 4.119 -9.156 814 HG23 ILE 23 HG23 ILE 23 7.858 4.333 -8.936 815 HD11 ILE 23 HD11 ILE 23 9.399 4.494 -13.468 816 HD12 ILE 23 HD12 ILE 23 7.643 4.693 -13.486 817 HD13 ILE 23 HD13 ILE 23 8.351 3.093 -13.688 818 H SER 24 H SER 24 5.578 5.202 -12.507 819 HA SER 24 HA SER 24 3.369 5.193 -10.701 820 HB2 SER 24 HB2 SER 24 3.794 3.620 -13.284 821 HB3 SER 24 HB3 SER 24 2.251 3.761 -12.436 822 HG SER 24 HG SER 24 2.011 5.712 -13.184 823 H ILE 25 H ILE 25 2.349 3.409 -9.626 824 HA ILE 25 HA ILE 25 4.068 1.758 -8.165 825 HB ILE 25 HB ILE 25 1.059 1.455 -8.518 826 HG12 ILE 25 HG12 ILE 25 2.655 2.934 -6.366 827 HG13 ILE 25 HG13 ILE 25 1.705 3.684 -7.643 828 HG21 ILE 25 HG21 ILE 25 1.077 0.202 -6.374 829 HG22 ILE 25 HG22 ILE 25 2.840 0.249 -6.364 830 HG23 ILE 25 HG23 ILE 25 1.988 -0.632 -7.634 831 HD11 ILE 25 HD11 ILE 25 0.608 2.014 -5.376 832 HD12 ILE 25 HD12 ILE 25 -0.344 2.769 -6.658 833 HD13 ILE 25 HD13 ILE 25 0.549 3.771 -5.514 834 HA PRO 26 HA PRO 26 2.701 -2.144 -10.787 835 HB2 PRO 26 HB2 PRO 26 1.704 -1.823 -13.336 836 HB3 PRO 26 HB3 PRO 26 0.673 -1.876 -11.898 837 HG2 PRO 26 HG2 PRO 26 1.724 0.537 -13.384 838 HG3 PRO 26 HG3 PRO 26 0.069 0.207 -12.821 839 HD2 PRO 26 HD2 PRO 26 1.733 1.808 -11.412 840 HD3 PRO 26 HD3 PRO 26 0.583 0.730 -10.590 841 H GLU 27 H GLU 27 4.148 0.607 -12.453 842 HA GLU 27 HA GLU 27 5.830 -0.876 -14.275 843 HB2 GLU 27 HB2 GLU 27 6.054 1.981 -13.204 844 HB3 GLU 27 HB3 GLU 27 7.050 1.319 -14.505 845 HG2 GLU 27 HG2 GLU 27 4.033 1.657 -14.595 846 HG3 GLU 27 HG3 GLU 27 5.209 2.740 -15.340 847 H LEU 28 H LEU 28 6.382 0.928 -11.325 848 HA LEU 28 HA LEU 28 8.954 0.260 -10.559 849 HB2 LEU 28 HB2 LEU 28 7.613 2.039 -9.589 850 HB3 LEU 28 HB3 LEU 28 6.422 0.888 -9.013 851 HG LEU 28 HG LEU 28 8.061 0.027 -7.368 852 HD11 LEU 28 HD11 LEU 28 9.878 2.275 -8.299 853 HD12 LEU 28 HD12 LEU 28 10.174 0.544 -8.493 854 HD13 LEU 28 HD13 LEU 28 10.134 1.252 -6.881 855 HD21 LEU 28 HD21 LEU 28 6.418 1.719 -6.745 856 HD22 LEU 28 HD22 LEU 28 7.526 3.010 -7.229 857 HD23 LEU 28 HD23 LEU 28 7.925 1.972 -5.857 858 H ALA 29 H ALA 29 5.914 -1.484 -9.977 859 HA ALA 29 HA ALA 29 6.764 -3.501 -8.220 860 HB1 ALA 29 HB1 ALA 29 4.576 -3.672 -10.322 861 HB2 ALA 29 HB2 ALA 29 4.392 -3.010 -8.697 862 HB3 ALA 29 HB3 ALA 29 4.750 -4.724 -8.910 863 H ARG 30 H ARG 30 6.671 -3.484 -11.785 864 HA ARG 30 HA ARG 30 7.693 -6.125 -12.197 865 HB2 ARG 30 HB2 ARG 30 7.812 -3.729 -14.079 866 HB3 ARG 30 HB3 ARG 30 7.990 -5.425 -14.540 867 HG2 ARG 30 HG2 ARG 30 5.676 -5.883 -14.013 868 HG3 ARG 30 HG3 ARG 30 5.472 -4.286 -13.291 869 HD2 ARG 30 HD2 ARG 30 6.007 -3.317 -15.596 870 HD3 ARG 30 HD3 ARG 30 5.844 -4.964 -16.224 871 HE ARG 30 HE ARG 30 3.537 -4.615 -14.864 872 HH11 ARG 30 HH11 ARG 30 5.039 -2.749 -17.358 873 HH12 ARG 30 HH12 ARG 30 3.545 -2.047 -17.861 874 HH21 ARG 30 HH21 ARG 30 1.652 -3.715 -15.544 875 HH22 ARG 30 HH22 ARG 30 1.657 -2.605 -16.868 876 H LYS 31 H LYS 31 9.196 -2.927 -11.936 877 HA LYS 31 HA LYS 31 11.858 -3.589 -12.641 878 HB2 LYS 31 HB2 LYS 31 10.781 -1.356 -10.866 879 HB3 LYS 31 HB3 LYS 31 12.450 -1.445 -11.431 880 HG2 LYS 31 HG2 LYS 31 11.733 -1.194 -13.746 881 HG3 LYS 31 HG3 LYS 31 10.035 -1.269 -13.267 882 HD2 LYS 31 HD2 LYS 31 10.705 1.058 -13.715 883 HD3 LYS 31 HD3 LYS 31 10.279 0.852 -12.015 884 HE2 LYS 31 HE2 LYS 31 12.293 2.246 -12.249 885 HE3 LYS 31 HE3 LYS 31 12.684 0.735 -11.430 886 HZ1 LYS 31 HZ1 LYS 31 13.135 1.248 -14.316 887 HZ2 LYS 31 HZ2 LYS 31 13.614 -0.122 -13.451 888 HZ3 LYS 31 HZ3 LYS 31 14.318 1.379 -13.120 889 H VAL 32 H VAL 32 10.107 -3.919 -9.578 890 HA VAL 32 HA VAL 32 12.565 -4.809 -8.181 891 HB VAL 32 HB VAL 32 11.296 -4.585 -6.076 892 HG11 VAL 32 HG11 VAL 32 12.549 -2.638 -6.909 893 HG12 VAL 32 HG12 VAL 32 11.103 -2.122 -6.044 894 HG13 VAL 32 HG13 VAL 32 11.132 -2.085 -7.809 895 HG21 VAL 32 HG21 VAL 32 9.032 -3.568 -6.035 896 HG22 VAL 32 HG22 VAL 32 9.030 -5.113 -6.884 897 HG23 VAL 32 HG23 VAL 32 8.983 -3.609 -7.801 898 H ASN 33 H ASN 33 10.263 -6.243 -9.996 899 HA ASN 33 HA ASN 33 9.527 -8.350 -10.373 900 HB2 ASN 33 HB2 ASN 33 11.656 -9.167 -8.352 901 HB3 ASN 33 HB3 ASN 33 10.804 -10.283 -9.414 902 HD21 ASN 33 HD21 ASN 33 13.648 -9.810 -9.240 903 HD22 ASN 33 HD22 ASN 33 14.160 -9.283 -10.803 904 H LEU 34 H LEU 34 8.252 -6.771 -8.226 905 HA LEU 34 HA LEU 34 6.972 -8.920 -6.625 906 HB2 LEU 34 HB2 LEU 34 7.100 -5.924 -6.074 907 HB3 LEU 34 HB3 LEU 34 6.314 -7.119 -5.049 908 HG LEU 34 HG LEU 34 9.314 -7.038 -5.614 909 HD11 LEU 34 HD11 LEU 34 7.821 -6.097 -3.146 910 HD12 LEU 34 HD12 LEU 34 8.646 -5.077 -4.327 911 HD13 LEU 34 HD13 LEU 34 9.578 -6.187 -3.327 912 HD21 LEU 34 HD21 LEU 34 7.737 -8.723 -3.630 913 HD22 LEU 34 HD22 LEU 34 9.497 -8.671 -3.765 914 HD23 LEU 34 HD23 LEU 34 8.532 -9.304 -5.095 915 H SER 35 H SER 35 4.651 -8.627 -6.188 916 HA SER 35 HA SER 35 2.997 -7.895 -8.385 917 HB2 SER 35 HB2 SER 35 2.241 -9.590 -6.801 918 HB3 SER 35 HB3 SER 35 2.325 -8.448 -5.461 919 HG SER 35 HG SER 35 0.199 -8.948 -6.667 920 H VAL 36 H VAL 36 1.437 -6.190 -8.527 921 HA VAL 36 HA VAL 36 2.136 -3.574 -7.820 922 HB VAL 36 HB VAL 36 -0.663 -4.654 -8.387 923 HG11 VAL 36 HG11 VAL 36 -1.232 -2.347 -9.129 924 HG12 VAL 36 HG12 VAL 36 0.351 -1.788 -8.581 925 HG13 VAL 36 HG13 VAL 36 -0.819 -2.411 -7.412 926 HG21 VAL 36 HG21 VAL 36 0.895 -5.228 -10.193 927 HG22 VAL 36 HG22 VAL 36 1.401 -3.542 -10.324 928 HG23 VAL 36 HG23 VAL 36 -0.251 -4.001 -10.742 929 H GLU 37 H GLU 37 -0.101 -5.819 -6.216 930 HA GLU 37 HA GLU 37 -0.975 -4.255 -4.045 931 HB2 GLU 37 HB2 GLU 37 -0.487 -7.269 -4.054 932 HB3 GLU 37 HB3 GLU 37 -1.549 -6.390 -2.951 933 HG2 GLU 37 HG2 GLU 37 -2.990 -5.762 -4.865 934 HG3 GLU 37 HG3 GLU 37 -1.931 -6.663 -5.949 935 H SER 38 H SER 38 1.828 -6.430 -4.293 936 HA SER 38 HA SER 38 2.801 -6.231 -1.637 937 HB2 SER 38 HB2 SER 38 3.448 -8.069 -3.160 938 HB3 SER 38 HB3 SER 38 4.300 -6.928 -4.197 939 HG SER 38 HG SER 38 5.908 -6.825 -2.792 940 H THR 39 H THR 39 3.495 -4.359 -4.550 941 HA THR 39 HA THR 39 5.692 -2.842 -3.486 942 HB THR 39 HB THR 39 3.995 -2.465 -5.987 943 HG1 THR 39 HG1 THR 39 6.588 -3.163 -6.361 944 HG21 THR 39 HG21 THR 39 6.614 -1.073 -5.283 945 HG22 THR 39 HG22 THR 39 5.035 -0.290 -5.408 946 HG23 THR 39 HG23 THR 39 5.788 -0.993 -6.841 947 H ALA 40 H ALA 40 2.258 -2.023 -4.186 948 HA ALA 40 HA ALA 40 2.274 0.674 -3.363 949 HB1 ALA 40 HB1 ALA 40 -0.043 -1.297 -3.342 950 HB2 ALA 40 HB2 ALA 40 0.473 -0.318 -4.717 951 HB3 ALA 40 HB3 ALA 40 -0.187 0.466 -3.282 952 H LEU 41 H LEU 41 1.555 -2.268 -1.532 953 HA LEU 41 HA LEU 41 0.956 -1.196 1.010 954 HB2 LEU 41 HB2 LEU 41 0.875 -3.646 -0.019 955 HB3 LEU 41 HB3 LEU 41 2.481 -3.780 0.656 956 HG LEU 41 HG LEU 41 -0.150 -3.441 2.146 957 HD11 LEU 41 HD11 LEU 41 0.451 -5.633 3.097 958 HD12 LEU 41 HD12 LEU 41 1.913 -5.653 2.104 959 HD13 LEU 41 HD13 LEU 41 0.324 -5.672 1.338 960 HD21 LEU 41 HD21 LEU 41 2.621 -3.449 3.413 961 HD22 LEU 41 HD22 LEU 41 1.082 -3.521 4.279 962 HD23 LEU 41 HD23 LEU 41 1.506 -2.083 3.357 963 H ALA 42 H ALA 42 4.026 -2.313 -0.394 964 HA ALA 42 HA ALA 42 5.772 -1.820 1.753 965 HB1 ALA 42 HB1 ALA 42 6.380 -1.808 -1.225 966 HB2 ALA 42 HB2 ALA 42 6.345 -3.228 -0.180 967 HB3 ALA 42 HB3 ALA 42 7.565 -1.984 0.073 968 H VAL 43 H VAL 43 4.519 0.345 -0.727 969 HA VAL 43 HA VAL 43 6.268 2.573 -0.254 970 HB VAL 43 HB VAL 43 3.478 2.485 -1.492 971 HG11 VAL 43 HG11 VAL 43 5.444 4.811 -1.484 972 HG12 VAL 43 HG12 VAL 43 3.885 4.763 -0.658 973 HG13 VAL 43 HG13 VAL 43 3.948 4.741 -2.419 974 HG21 VAL 43 HG21 VAL 43 6.219 2.676 -2.813 975 HG22 VAL 43 HG22 VAL 43 4.667 2.691 -3.655 976 HG23 VAL 43 HG23 VAL 43 5.183 1.248 -2.785 977 H GLY 44 H GLY 44 3.121 1.616 1.121 978 HA2 GLY 44 HA2 GLY 44 2.787 3.837 2.892 979 HA3 GLY 44 HA3 GLY 44 2.024 2.260 3.046 980 H TRP 45 H TRP 45 4.544 0.778 3.164 981 HA TRP 45 HA TRP 45 5.259 1.038 5.936 982 HB2 TRP 45 HB2 TRP 45 5.200 -1.148 4.700 983 HB3 TRP 45 HB3 TRP 45 6.591 -0.631 3.754 984 HD1 TRP 45 HD1 TRP 45 8.915 -1.313 4.748 985 HE1 TRP 45 HE1 TRP 45 9.751 -2.255 6.976 986 HE3 TRP 45 HE3 TRP 45 4.591 -0.951 7.454 987 HZ2 TRP 45 HZ2 TRP 45 8.746 -2.757 9.550 988 HZ3 TRP 45 HZ3 TRP 45 4.628 -1.676 9.808 989 HH2 TRP 45 HH2 TRP 45 6.658 -2.560 10.835 990 H LEU 46 H LEU 46 6.593 2.307 2.938 991 HA LEU 46 HA LEU 46 8.983 3.437 4.103 992 HB2 LEU 46 HB2 LEU 46 7.465 4.119 1.562 993 HB3 LEU 46 HB3 LEU 46 9.024 4.816 1.994 994 HG LEU 46 HG LEU 46 8.540 1.839 1.558 995 HD11 LEU 46 HD11 LEU 46 9.719 2.072 -0.575 996 HD12 LEU 46 HD12 LEU 46 9.814 3.822 -0.354 997 HD13 LEU 46 HD13 LEU 46 8.241 3.039 -0.554 998 HD21 LEU 46 HD21 LEU 46 10.388 2.301 3.103 999 HD22 LEU 46 HD22 LEU 46 11.133 3.379 1.920 1000 HD23 LEU 46 HD23 LEU 46 10.991 1.653 1.579 1001 H ALA 47 H ALA 47 5.653 4.551 3.675 1002 HA ALA 47 HA ALA 47 5.857 7.273 4.213 1003 HB1 ALA 47 HB1 ALA 47 3.815 6.196 3.351 1004 HB2 ALA 47 HB2 ALA 47 3.465 7.228 4.741 1005 HB3 ALA 47 HB3 ALA 47 3.528 5.473 4.935 1006 H ARG 48 H ARG 48 5.987 4.645 6.572 1007 HA ARG 48 HA ARG 48 5.554 6.125 8.952 1008 HB2 ARG 48 HB2 ARG 48 6.743 4.334 10.154 1009 HB3 ARG 48 HB3 ARG 48 5.607 3.675 8.982 1010 HG2 ARG 48 HG2 ARG 48 7.488 3.247 7.430 1011 HG3 ARG 48 HG3 ARG 48 8.614 3.862 8.639 1012 HD2 ARG 48 HD2 ARG 48 8.009 2.045 10.173 1013 HD3 ARG 48 HD3 ARG 48 6.797 1.456 9.032 1014 HE ARG 48 HE ARG 48 8.531 0.780 7.549 1015 HH11 ARG 48 HH11 ARG 48 9.789 1.816 10.612 1016 HH12 ARG 48 HH12 ARG 48 11.264 0.938 10.407 1017 HH21 ARG 48 HH21 ARG 48 10.413 -0.319 7.330 1018 HH22 ARG 48 HH22 ARG 48 11.611 -0.249 8.573 1019 H GLU 49 H GLU 49 8.446 5.720 6.993 1020 HA GLU 49 HA GLU 49 10.096 7.432 8.733 1021 HB2 GLU 49 HB2 GLU 49 10.796 5.849 6.225 1022 HB3 GLU 49 HB3 GLU 49 11.949 6.713 7.243 1023 HG2 GLU 49 HG2 GLU 49 11.529 5.198 9.100 1024 HG3 GLU 49 HG3 GLU 49 10.230 4.402 8.210 1025 H ASN 50 H ASN 50 7.931 7.825 6.261 1026 HA ASN 50 HA ASN 50 7.233 9.518 4.933 1027 HB2 ASN 50 HB2 ASN 50 9.227 11.132 6.582 1028 HB3 ASN 50 HB3 ASN 50 8.080 11.852 5.453 1029 HD21 ASN 50 HD21 ASN 50 8.308 9.901 8.392 1030 HD22 ASN 50 HD22 ASN 50 6.771 10.359 9.022 1031 H LYS 51 H LYS 51 9.614 7.869 4.119 1032 HA LYS 51 HA LYS 51 11.466 9.569 2.715 1033 HB2 LYS 51 HB2 LYS 51 11.090 6.553 2.654 1034 HB3 LYS 51 HB3 LYS 51 12.434 7.406 1.893 1035 HG2 LYS 51 HG2 LYS 51 13.145 8.250 4.106 1036 HG3 LYS 51 HG3 LYS 51 11.813 7.375 4.866 1037 HD2 LYS 51 HD2 LYS 51 14.166 6.142 3.366 1038 HD3 LYS 51 HD3 LYS 51 13.932 6.148 5.116 1039 HE2 LYS 51 HE2 LYS 51 11.787 4.829 4.719 1040 HE3 LYS 51 HE3 LYS 51 12.289 4.666 3.032 1041 HZ1 LYS 51 HZ1 LYS 51 14.331 3.594 3.852 1042 HZ2 LYS 51 HZ2 LYS 51 12.934 2.741 4.267 1043 HZ3 LYS 51 HZ3 LYS 51 13.728 3.674 5.435 1044 H VAL 52 H VAL 52 8.378 8.529 1.869 1045 HA VAL 52 HA VAL 52 8.830 9.156 -0.991 1046 HB VAL 52 HB VAL 52 6.919 7.603 -1.572 1047 HG11 VAL 52 HG11 VAL 52 9.338 6.241 -0.322 1048 HG12 VAL 52 HG12 VAL 52 9.239 6.887 -1.962 1049 HG13 VAL 52 HG13 VAL 52 8.236 5.513 -1.496 1050 HG21 VAL 52 HG21 VAL 52 6.256 5.831 0.053 1051 HG22 VAL 52 HG22 VAL 52 5.837 7.439 0.643 1052 HG23 VAL 52 HG23 VAL 52 7.248 6.601 1.296 1053 H VAL 53 H VAL 53 7.172 10.304 -2.022 1054 HA VAL 53 HA VAL 53 4.946 11.352 -0.366 1055 HB VAL 53 HB VAL 53 5.070 13.472 -1.816 1056 HG11 VAL 53 HG11 VAL 53 6.846 14.535 -0.442 1057 HG12 VAL 53 HG12 VAL 53 7.424 12.941 0.052 1058 HG13 VAL 53 HG13 VAL 53 5.819 13.486 0.541 1059 HG21 VAL 53 HG21 VAL 53 6.479 12.629 -3.620 1060 HG22 VAL 53 HG22 VAL 53 7.813 12.364 -2.497 1061 HG23 VAL 53 HG23 VAL 53 7.267 14.004 -2.845 1062 H ILE 54 H ILE 54 3.019 10.911 -1.133 1063 HA ILE 54 HA ILE 54 2.676 9.566 -3.712 1064 HB ILE 54 HB ILE 54 0.987 9.763 -1.187 1065 HG12 ILE 54 HG12 ILE 54 1.097 7.221 -1.340 1066 HG13 ILE 54 HG13 ILE 54 2.187 7.396 -2.706 1067 HG21 ILE 54 HG21 ILE 54 -0.654 10.028 -2.968 1068 HG22 ILE 54 HG22 ILE 54 -0.811 8.419 -2.264 1069 HG23 ILE 54 HG23 ILE 54 -0.009 8.625 -3.821 1070 HD11 ILE 54 HD11 ILE 54 3.369 6.870 -0.656 1071 HD12 ILE 54 HD12 ILE 54 2.722 8.313 0.122 1072 HD13 ILE 54 HD13 ILE 54 3.831 8.465 -1.244 1073 H GLU 55 H GLU 55 1.986 10.683 -5.451 1074 HA GLU 55 HA GLU 55 0.399 13.183 -5.093 1075 HB2 GLU 55 HB2 GLU 55 2.185 12.511 -7.478 1076 HB3 GLU 55 HB3 GLU 55 1.439 14.060 -7.101 1077 HG2 GLU 55 HG2 GLU 55 3.750 12.729 -5.653 1078 HG3 GLU 55 HG3 GLU 55 3.824 14.154 -6.683 1079 H ARG 56 H ARG 56 -1.562 13.302 -6.199 1080 HA ARG 56 HA ARG 56 -2.392 11.012 -7.871 1081 HB2 ARG 56 HB2 ARG 56 -4.007 13.194 -6.503 1082 HB3 ARG 56 HB3 ARG 56 -4.717 12.050 -7.637 1083 HG2 ARG 56 HG2 ARG 56 -4.080 10.178 -6.152 1084 HG3 ARG 56 HG3 ARG 56 -3.374 11.323 -5.007 1085 HD2 ARG 56 HD2 ARG 56 -5.539 12.316 -4.565 1086 HD3 ARG 56 HD3 ARG 56 -6.292 11.386 -5.864 1087 HE ARG 56 HE ARG 56 -5.493 9.395 -4.343 1088 HH11 ARG 56 HH11 ARG 56 -6.849 12.375 -3.231 1089 HH12 ARG 56 HH12 ARG 56 -7.704 11.625 -1.933 1090 HH21 ARG 56 HH21 ARG 56 -6.621 8.446 -2.688 1091 HH22 ARG 56 HH22 ARG 56 -7.585 9.421 -1.637 1092 H LYS 57 H LYS 57 -1.816 11.306 -9.949 1093 HA LYS 57 HA LYS 57 -2.490 13.820 -11.355 1094 HB2 LYS 57 HB2 LYS 57 -0.643 11.506 -12.066 1095 HB3 LYS 57 HB3 LYS 57 -1.191 12.640 -13.292 1096 HG2 LYS 57 HG2 LYS 57 0.973 13.348 -12.605 1097 HG3 LYS 57 HG3 LYS 57 -0.185 14.502 -11.942 1098 HD2 LYS 57 HD2 LYS 57 -0.009 13.381 -9.724 1099 HD3 LYS 57 HD3 LYS 57 1.158 12.239 -10.404 1100 HE2 LYS 57 HE2 LYS 57 1.523 15.241 -10.132 1101 HE3 LYS 57 HE3 LYS 57 2.322 13.997 -9.179 1102 HZ1 LYS 57 HZ1 LYS 57 3.370 13.194 -11.222 1103 HZ2 LYS 57 HZ2 LYS 57 3.792 14.792 -10.868 1104 HZ3 LYS 57 HZ3 LYS 57 2.662 14.466 -12.081 1105 H ASN 58 H ASN 58 -4.509 13.803 -12.068 1106 HA ASN 58 HA ASN 58 -6.490 13.310 -13.050 1107 HB2 ASN 58 HB2 ASN 58 -4.903 11.166 -14.545 1108 HB3 ASN 58 HB3 ASN 58 -6.503 11.748 -14.992 1109 HD21 ASN 58 HD21 ASN 58 -3.107 12.524 -14.889 1110 HD22 ASN 58 HD22 ASN 58 -3.188 13.906 -15.920 1111 H GLY 59 H GLY 59 -5.872 11.990 -10.503 1112 HA2 GLY 59 HA2 GLY 59 -7.231 10.642 -9.143 1113 HA3 GLY 59 HA3 GLY 59 -7.856 9.818 -10.560 1114 H LEU 60 H LEU 60 -4.815 9.601 -11.366 1115 HA LEU 60 HA LEU 60 -4.418 6.944 -10.173 1116 HB2 LEU 60 HB2 LEU 60 -3.010 8.389 -12.462 1117 HB3 LEU 60 HB3 LEU 60 -2.517 6.814 -11.865 1118 HG LEU 60 HG LEU 60 -4.773 5.902 -12.532 1119 HD11 LEU 60 HD11 LEU 60 -6.116 7.938 -12.545 1120 HD12 LEU 60 HD12 LEU 60 -6.185 7.136 -14.112 1121 HD13 LEU 60 HD13 LEU 60 -5.183 8.575 -13.902 1122 HD21 LEU 60 HD21 LEU 60 -2.802 5.590 -13.956 1123 HD22 LEU 60 HD22 LEU 60 -3.143 7.110 -14.785 1124 HD23 LEU 60 HD23 LEU 60 -4.266 5.755 -14.927 1125 H ILE 61 H ILE 61 -2.431 6.333 -9.102 1126 HA ILE 61 HA ILE 61 -1.140 8.555 -7.656 1127 HB ILE 61 HB ILE 61 -0.899 5.550 -7.173 1128 HG12 ILE 61 HG12 ILE 61 -3.236 6.422 -6.817 1129 HG13 ILE 61 HG13 ILE 61 -2.498 5.800 -5.348 1130 HG21 ILE 61 HG21 ILE 61 1.038 6.766 -6.277 1131 HG22 ILE 61 HG22 ILE 61 0.029 6.179 -4.954 1132 HG23 ILE 61 HG23 ILE 61 -0.032 7.883 -5.421 1133 HD11 ILE 61 HD11 ILE 61 -3.778 7.817 -4.950 1134 HD12 ILE 61 HD12 ILE 61 -2.759 8.708 -6.079 1135 HD13 ILE 61 HD13 ILE 61 -2.073 8.064 -4.586 1136 H GLU 62 H GLU 62 0.942 9.189 -8.006 1137 HA GLU 62 HA GLU 62 2.874 7.340 -9.294 1138 HB2 GLU 62 HB2 GLU 62 2.853 10.393 -9.509 1139 HB3 GLU 62 HB3 GLU 62 4.114 9.333 -10.139 1140 HG2 GLU 62 HG2 GLU 62 2.319 8.284 -11.613 1141 HG3 GLU 62 HG3 GLU 62 1.253 9.597 -11.109 1142 H ILE 63 H ILE 63 4.705 6.976 -8.146 1143 HA ILE 63 HA ILE 63 4.875 8.052 -5.422 1144 HB ILE 63 HB ILE 63 6.539 5.791 -6.636 1145 HG12 ILE 63 HG12 ILE 63 4.174 5.157 -6.846 1146 HG13 ILE 63 HG13 ILE 63 4.920 4.198 -5.576 1147 HG21 ILE 63 HG21 ILE 63 6.895 5.099 -4.279 1148 HG22 ILE 63 HG22 ILE 63 5.960 6.489 -3.725 1149 HG23 ILE 63 HG23 ILE 63 7.489 6.739 -4.570 1150 HD11 ILE 63 HD11 ILE 63 2.706 4.865 -4.929 1151 HD12 ILE 63 HD12 ILE 63 3.082 6.564 -5.206 1152 HD13 ILE 63 HD13 ILE 63 3.874 5.685 -3.895 1153 H TYR 64 H TYR 64 6.192 9.739 -5.058 1154 HA TYR 64 HA TYR 64 8.706 10.092 -6.611 1155 HB2 TYR 64 HB2 TYR 64 6.908 12.137 -5.240 1156 HB3 TYR 64 HB3 TYR 64 8.522 12.531 -5.809 1157 HD1 TYR 64 HD2 TYR 64 5.158 11.356 -6.968 1158 HD2 TYR 64 HD1 TYR 64 8.863 13.167 -8.094 1159 HE1 TYR 64 HE2 TYR 64 4.229 11.891 -9.186 1160 HE2 TYR 64 HE1 TYR 64 7.932 13.704 -10.303 1161 HH TYR 64 HH TYR 64 6.140 12.874 -11.797 1162 H ASN 65 H ASN 65 10.450 11.244 -5.319 1163 HA ASN 65 HA ASN 65 11.008 9.839 -2.836 1164 HB2 ASN 65 HB2 ASN 65 12.658 12.092 -4.070 1165 HB3 ASN 65 HB3 ASN 65 13.216 10.817 -2.993 1166 HD21 ASN 65 HD21 ASN 65 13.790 8.825 -3.886 1167 HD22 ASN 65 HD22 ASN 65 13.782 8.522 -5.585 1168 H GLU 66 H GLU 66 11.367 10.855 -0.737 1169 HA GLU 66 HA GLU 66 9.776 12.971 0.119 1170 HB2 GLU 66 HB2 GLU 66 10.896 11.418 1.695 1171 HB3 GLU 66 HB3 GLU 66 12.466 12.094 1.275 1172 HG2 GLU 66 HG2 GLU 66 11.698 14.303 2.215 1173 HG3 GLU 66 HG3 GLU 66 10.208 13.511 2.729 1174 H GLY 67 H GLY 67 9.975 15.085 0.446 1175 HA2 GLY 67 HA2 GLY 67 11.345 17.147 0.331 1176 HA3 GLY 67 HA3 GLY 67 11.990 16.521 -1.186 1177 H HIS 68 H HIS 68 11.153 17.729 -2.736 1178 HA HIS 68 HA HIS 68 10.219 19.681 -3.413 1179 HB2 HIS 68 HB2 HIS 68 8.279 19.373 -4.772 1180 HB3 HIS 68 HB3 HIS 68 9.245 17.914 -4.829 1181 HD1 HIS 68 HD1 HIS 68 5.884 19.167 -4.105 1182 HD2 HIS 68 HD2 HIS 68 8.008 15.643 -3.536 1183 HE1 HIS 68 HE1 HIS 68 4.160 17.409 -3.658 1184 HE2 HIS 68 HE2 HIS 68 5.447 15.261 -3.548 1185 H PHE 69 H PHE 69 7.530 18.400 -1.302 1186 HA PHE 69 HA PHE 69 6.836 20.820 -0.062 1187 HB2 PHE 69 HB2 PHE 69 7.025 18.004 1.128 1188 HB3 PHE 69 HB3 PHE 69 6.276 19.367 1.955 1189 HD1 PHE 69 HD1 PHE 69 4.410 20.626 0.448 1190 HD2 PHE 69 HD2 PHE 69 5.558 16.521 0.052 1191 HE1 PHE 69 HE1 PHE 69 2.233 20.109 -0.575 1192 HE2 PHE 69 HE2 PHE 69 3.384 16.020 -0.977 1193 HZ PHE 69 HZ PHE 69 1.721 17.808 -1.293 1194 H ASP 70 H ASP 70 7.707 21.963 1.667 1195 HA ASP 70 HA ASP 70 10.450 21.303 2.541 1196 HB2 ASP 70 HB2 ASP 70 10.553 23.686 3.306 1197 HB3 ASP 70 HB3 ASP 70 10.280 23.530 1.579 1198 H PHE 71 H PHE 71 10.989 21.171 4.719 1199 HA PHE 71 HA PHE 71 9.095 19.849 6.364 1200 HB2 PHE 71 HB2 PHE 71 11.874 20.917 7.040 1201 HB3 PHE 71 HB3 PHE 71 10.931 19.866 8.097 1202 HD1 PHE 71 HD1 PHE 71 10.485 17.511 7.452 1203 HD2 PHE 71 HD2 PHE 71 13.004 20.012 5.065 1204 HE1 PHE 71 HE1 PHE 71 11.359 15.527 6.295 1205 HE2 PHE 71 HE2 PHE 71 13.878 18.019 3.914 1206 HZ PHE 71 HZ PHE 71 13.050 15.776 4.523 1207 H SER 72 H SER 72 7.734 20.533 7.883 1208 HA SER 72 HA SER 72 6.509 21.760 9.314 1209 HB2 SER 72 HB2 SER 72 8.482 22.654 10.450 1210 HB3 SER 72 HB3 SER 72 8.706 23.874 9.196 1211 HG SER 72 HG SER 72 7.581 24.989 10.655 1212 H PHE 73 H PHE 73 7.594 23.202 6.327 1213 HA PHE 73 HA PHE 73 6.592 24.255 4.635 1214 HB2 PHE 73 HB2 PHE 73 4.614 22.805 5.115 1215 HB3 PHE 73 HB3 PHE 73 3.962 24.062 6.154 1216 HD1 PHE 73 HD1 PHE 73 4.833 23.224 2.626 1217 HD2 PHE 73 HD2 PHE 73 2.759 25.946 5.199 1218 HE1 PHE 73 HE1 PHE 73 3.732 24.236 0.678 1219 HE2 PHE 73 HE2 PHE 73 1.663 26.953 3.239 1220 HZ PHE 73 HZ PHE 73 2.145 26.096 0.977 1221 H GLY 74 H GLY 74 6.250 25.590 7.814 1222 HA2 GLY 74 HA2 GLY 74 7.037 27.991 7.919 1223 HA3 GLY 74 HA3 GLY 74 5.725 28.325 6.798 1224 H LEU 75 H LEU 75 4.712 25.894 8.876 1225 HA LEU 75 HA LEU 75 2.982 27.640 10.378 1226 HB2 LEU 75 HB2 LEU 75 3.355 24.611 10.411 1227 HB3 LEU 75 HB3 LEU 75 2.245 25.433 11.490 1228 HG LEU 75 HG LEU 75 0.937 24.552 9.691 1229 HD11 LEU 75 HD11 LEU 75 1.267 27.519 9.179 1230 HD12 LEU 75 HD12 LEU 75 0.268 26.783 10.435 1231 HD13 LEU 75 HD13 LEU 75 -0.126 26.525 8.738 1232 HD21 LEU 75 HD21 LEU 75 1.326 25.024 7.312 1233 HD22 LEU 75 HD22 LEU 75 2.687 24.169 8.031 1234 HD23 LEU 75 HD23 LEU 75 2.805 25.902 7.718 1235 H GLU 76 H GLU 76 3.111 28.198 12.475 1236 HA GLU 76 HA GLU 76 5.673 28.205 13.773 1237 HB2 GLU 76 HB2 GLU 76 2.958 29.215 14.705 1238 HB3 GLU 76 HB3 GLU 76 4.478 29.522 15.542 1239 HG2 GLU 76 HG2 GLU 76 5.303 30.797 13.613 1240 HG3 GLU 76 HG3 GLU 76 3.814 30.448 12.728 1241 H HIS 77 H HIS 77 6.078 25.968 14.226 1242 HA HIS 77 HA HIS 77 4.545 24.704 16.391 1243 HB2 HIS 77 HB2 HIS 77 7.063 23.749 14.949 1244 HB3 HIS 77 HB3 HIS 77 6.120 22.804 16.102 1245 HD1 HIS 77 HD1 HIS 77 3.606 22.218 15.304 1246 HD2 HIS 77 HD2 HIS 77 6.185 23.589 12.354 1247 HE1 HIS 77 HE1 HIS 77 2.492 21.657 13.130 1248 HE2 HIS 77 HE2 HIS 77 4.055 22.520 11.359 1249 H HIS 78 H HIS 78 4.855 26.109 18.100 1250 HA HIS 78 HA HIS 78 7.320 27.410 18.728 1251 HB2 HIS 78 HB2 HIS 78 4.794 27.162 20.410 1252 HB3 HIS 78 HB3 HIS 78 6.112 28.288 20.714 1253 HD1 HIS 78 HD1 HIS 78 2.876 28.197 19.256 1254 HD2 HIS 78 HD2 HIS 78 6.435 30.111 18.284 1255 HE1 HIS 78 HE1 HIS 78 2.223 30.103 17.766 1256 HE2 HIS 78 HE2 HIS 78 4.396 31.177 17.098 1257 H HIS 79 H HIS 79 8.743 25.631 18.903 1258 HA HIS 79 HA HIS 79 9.069 24.604 21.635 1259 HB2 HIS 79 HB2 HIS 79 9.065 22.822 19.154 1260 HB3 HIS 79 HB3 HIS 79 9.769 22.328 20.687 1261 HD1 HIS 79 HD1 HIS 79 6.822 21.798 18.850 1262 HD2 HIS 79 HD2 HIS 79 7.584 22.647 22.847 1263 HE1 HIS 79 HE1 HIS 79 4.783 21.038 20.096 1264 HE2 HIS 79 HE2 HIS 79 5.194 21.733 22.476 1265 H HIS 80 H HIS 80 10.388 25.007 18.368 1266 HA HIS 80 HA HIS 80 12.938 25.966 19.372 1267 HB2 HIS 80 HB2 HIS 80 14.314 24.325 18.114 1268 HB3 HIS 80 HB3 HIS 80 13.324 23.512 19.322 1269 HD1 HIS 80 HD1 HIS 80 13.928 23.687 15.663 1270 HD2 HIS 80 HD2 HIS 80 11.160 21.954 18.238 1271 HE1 HIS 80 HE1 HIS 80 12.669 22.019 14.274 1272 HE2 HIS 80 HE2 HIS 80 11.083 20.909 15.874 1273 H HIS 81 H HIS 81 14.225 26.965 17.697 1274 HA HIS 81 HA HIS 81 12.684 28.193 15.571 1275 HB2 HIS 81 HB2 HIS 81 15.601 28.524 16.397 1276 HB3 HIS 81 HB3 HIS 81 14.809 29.484 15.145 1277 HD1 HIS 81 HD1 HIS 81 14.845 28.934 18.860 1278 HD2 HIS 81 HD2 HIS 81 13.167 31.540 16.099 1279 HE1 HIS 81 HE1 HIS 81 13.796 30.755 20.216 1280 HE2 HIS 81 HE2 HIS 81 12.726 32.282 18.535 1281 H HIS 82 H HIS 82 13.568 28.366 13.347 1282 HA HIS 82 HA HIS 82 15.050 26.059 12.302 1283 HB2 HIS 82 HB2 HIS 82 12.694 25.264 12.392 1284 HB3 HIS 82 HB3 HIS 82 12.168 26.667 11.477 1285 HD1 HIS 82 HD1 HIS 82 12.330 26.538 8.957 1286 HD2 HIS 82 HD2 HIS 82 14.147 23.306 10.833 1287 HE1 HIS 82 HE1 HIS 82 12.843 24.910 7.129 1288 HE2 HIS 82 HE2 HIS 82 14.095 23.051 8.260 Start of MODEL 17 1 H1 MET 1 H1 MET 1 3.020 15.196 -1.762 2 H2 MET 1 H2 MET 1 2.283 15.166 -3.277 3 H3 MET 1 H3 MET 1 1.555 14.369 -1.971 4 HA MET 1 HA MET 1 1.956 17.286 -2.268 5 HB2 MET 1 HB2 MET 1 0.166 16.391 -3.713 6 HB3 MET 1 HB3 MET 1 -0.600 15.649 -2.317 7 HG2 MET 1 HG2 MET 1 -1.120 17.835 -1.387 8 HG3 MET 1 HG3 MET 1 -0.233 18.634 -2.688 9 HE1 MET 1 HE1 MET 1 -4.241 16.374 -3.275 10 HE2 MET 1 HE2 MET 1 -3.490 16.640 -1.704 11 HE3 MET 1 HE3 MET 1 -2.750 15.530 -2.859 12 H ASP 2 H ASP 2 -0.243 15.187 -0.376 13 HA ASP 2 HA ASP 2 0.617 16.523 2.119 14 HB2 ASP 2 HB2 ASP 2 -1.513 17.484 1.552 15 HB3 ASP 2 HB3 ASP 2 -2.196 15.922 1.144 16 H LYS 3 H LYS 3 0.690 15.287 3.945 17 HA LYS 3 HA LYS 3 1.126 12.448 3.564 18 HB2 LYS 3 HB2 LYS 3 2.729 13.775 4.866 19 HB3 LYS 3 HB3 LYS 3 1.479 14.188 6.032 20 HG2 LYS 3 HG2 LYS 3 1.332 11.887 6.792 21 HG3 LYS 3 HG3 LYS 3 2.407 11.339 5.503 22 HD2 LYS 3 HD2 LYS 3 3.193 13.223 7.765 23 HD3 LYS 3 HD3 LYS 3 3.555 11.495 7.710 24 HE2 LYS 3 HE2 LYS 3 4.981 11.805 5.754 25 HE3 LYS 3 HE3 LYS 3 4.520 13.505 5.637 26 HZ1 LYS 3 HZ1 LYS 3 6.024 12.262 7.862 27 HZ2 LYS 3 HZ2 LYS 3 5.558 13.884 7.779 28 HZ3 LYS 3 HZ3 LYS 3 6.661 13.264 6.664 29 H LYS 4 H LYS 4 -1.161 14.478 5.459 30 HA LYS 4 HA LYS 4 -2.221 12.262 6.931 31 HB2 LYS 4 HB2 LYS 4 -3.816 13.742 7.929 32 HB3 LYS 4 HB3 LYS 4 -2.273 14.578 7.829 33 HG2 LYS 4 HG2 LYS 4 -3.079 15.913 5.946 34 HG3 LYS 4 HG3 LYS 4 -4.594 15.009 5.921 35 HD2 LYS 4 HD2 LYS 4 -4.898 17.188 7.023 36 HD3 LYS 4 HD3 LYS 4 -5.164 15.871 8.167 37 HE2 LYS 4 HE2 LYS 4 -2.839 16.217 9.038 38 HE3 LYS 4 HE3 LYS 4 -2.658 17.584 7.936 39 HZ1 LYS 4 HZ1 LYS 4 -4.475 18.689 9.056 40 HZ2 LYS 4 HZ2 LYS 4 -3.265 18.283 10.164 41 HZ3 LYS 4 HZ3 LYS 4 -4.688 17.369 10.092 42 H ILE 5 H ILE 5 -2.902 13.318 3.722 43 HA ILE 5 HA ILE 5 -5.374 12.353 3.045 44 HB ILE 5 HB ILE 5 -2.759 11.663 1.614 45 HG12 ILE 5 HG12 ILE 5 -4.745 13.889 0.974 46 HG13 ILE 5 HG13 ILE 5 -3.201 14.114 1.784 47 HG21 ILE 5 HG21 ILE 5 -5.593 11.438 0.524 48 HG22 ILE 5 HG22 ILE 5 -4.494 10.101 0.866 49 HG23 ILE 5 HG23 ILE 5 -4.119 11.239 -0.428 50 HD11 ILE 5 HD11 ILE 5 -2.040 13.325 -0.271 51 HD12 ILE 5 HD12 ILE 5 -3.011 14.769 -0.533 52 HD13 ILE 5 HD13 ILE 5 -3.612 13.200 -1.076 53 H VAL 6 H VAL 6 -2.474 10.222 3.355 54 HA VAL 6 HA VAL 6 -3.909 7.788 3.057 55 HB VAL 6 HB VAL 6 -1.833 6.624 3.737 56 HG11 VAL 6 HG11 VAL 6 -2.028 7.367 1.406 57 HG12 VAL 6 HG12 VAL 6 -0.352 7.484 1.938 58 HG13 VAL 6 HG13 VAL 6 -1.340 8.943 1.822 59 HG21 VAL 6 HG21 VAL 6 0.202 7.871 4.380 60 HG22 VAL 6 HG22 VAL 6 -1.091 8.148 5.548 61 HG23 VAL 6 HG23 VAL 6 -0.704 9.384 4.352 62 H GLY 7 H GLY 7 -3.159 9.700 5.914 63 HA2 GLY 7 HA2 GLY 7 -3.839 7.804 7.931 64 HA3 GLY 7 HA3 GLY 7 -3.873 9.553 8.101 65 H ALA 8 H ALA 8 -5.753 10.244 6.204 66 HA ALA 8 HA ALA 8 -8.261 9.808 7.468 67 HB1 ALA 8 HB1 ALA 8 -9.184 11.103 5.568 68 HB2 ALA 8 HB2 ALA 8 -7.642 10.948 4.717 69 HB3 ALA 8 HB3 ALA 8 -7.732 11.867 6.221 70 H ASN 9 H ASN 9 -6.844 8.573 4.449 71 HA ASN 9 HA ASN 9 -8.933 6.953 3.506 72 HB2 ASN 9 HB2 ASN 9 -5.914 6.750 3.130 73 HB3 ASN 9 HB3 ASN 9 -7.045 5.690 2.296 74 HD21 ASN 9 HD21 ASN 9 -6.354 6.459 0.298 75 HD22 ASN 9 HD22 ASN 9 -6.782 8.021 -0.295 76 H ALA 10 H ALA 10 -6.229 6.180 5.703 77 HA ALA 10 HA ALA 10 -6.744 3.355 5.814 78 HB1 ALA 10 HB1 ALA 10 -5.004 5.092 7.597 79 HB2 ALA 10 HB2 ALA 10 -4.492 4.308 6.103 80 HB3 ALA 10 HB3 ALA 10 -4.956 3.327 7.489 81 H GLY 11 H GLY 11 -7.695 6.140 7.771 82 HA2 GLY 11 HA2 GLY 11 -8.694 4.846 10.070 83 HA3 GLY 11 HA3 GLY 11 -9.256 6.390 9.440 84 H LYS 12 H LYS 12 -10.257 5.589 6.966 85 HA LYS 12 HA LYS 12 -12.809 4.455 7.652 86 HB2 LYS 12 HB2 LYS 12 -12.532 6.291 5.983 87 HB3 LYS 12 HB3 LYS 12 -11.706 5.169 4.905 88 HG2 LYS 12 HG2 LYS 12 -13.731 3.839 4.658 89 HG3 LYS 12 HG3 LYS 12 -14.566 4.823 5.866 90 HD2 LYS 12 HD2 LYS 12 -14.351 6.801 4.352 91 HD3 LYS 12 HD3 LYS 12 -13.596 5.763 3.137 92 HE2 LYS 12 HE2 LYS 12 -16.006 6.142 2.685 93 HE3 LYS 12 HE3 LYS 12 -15.651 4.436 2.959 94 HZ1 LYS 12 HZ1 LYS 12 -16.681 6.255 5.061 95 HZ2 LYS 12 HZ2 LYS 12 -16.552 4.569 5.136 96 HZ3 LYS 12 HZ3 LYS 12 -17.672 5.289 4.094 97 H VAL 13 H VAL 13 -9.951 3.269 5.870 98 HA VAL 13 HA VAL 13 -10.991 0.832 4.881 99 HB VAL 13 HB VAL 13 -8.128 1.626 5.567 100 HG11 VAL 13 HG11 VAL 13 -8.240 -0.833 5.667 101 HG12 VAL 13 HG12 VAL 13 -7.360 -0.324 4.226 102 HG13 VAL 13 HG13 VAL 13 -9.030 -0.880 4.088 103 HG21 VAL 13 HG21 VAL 13 -9.167 2.901 3.722 104 HG22 VAL 13 HG22 VAL 13 -9.566 1.398 2.890 105 HG23 VAL 13 HG23 VAL 13 -7.877 1.863 3.111 106 H TRP 14 H TRP 14 -9.219 1.493 7.887 107 HA TRP 14 HA TRP 14 -9.303 -1.130 8.958 108 HB2 TRP 14 HB2 TRP 14 -7.750 0.752 9.692 109 HB3 TRP 14 HB3 TRP 14 -9.095 1.428 10.596 110 HD1 TRP 14 HD1 TRP 14 -6.859 -1.758 10.541 111 HE1 TRP 14 HE1 TRP 14 -6.843 -2.759 12.908 112 HE3 TRP 14 HE3 TRP 14 -10.218 1.350 12.739 113 HZ2 TRP 14 HZ2 TRP 14 -8.070 -2.275 15.403 114 HZ3 TRP 14 HZ3 TRP 14 -10.752 1.049 15.141 115 HH2 TRP 14 HH2 TRP 14 -9.693 -0.739 16.442 116 H HIS 15 H HIS 15 -11.474 1.658 9.371 117 HA HIS 15 HA HIS 15 -13.291 0.573 11.234 118 HB2 HIS 15 HB2 HIS 15 -13.262 2.969 10.578 119 HB3 HIS 15 HB3 HIS 15 -13.854 2.550 8.976 120 HD1 HIS 15 HD1 HIS 15 -16.364 2.001 8.744 121 HD2 HIS 15 HD2 HIS 15 -15.214 2.859 12.644 122 HE1 HIS 15 HE1 HIS 15 -18.498 2.290 10.021 123 HE2 HIS 15 HE2 HIS 15 -17.773 2.600 12.404 124 H ALA 16 H ALA 16 -13.143 0.277 7.692 125 HA ALA 16 HA ALA 16 -15.590 -1.167 7.325 126 HB1 ALA 16 HB1 ALA 16 -13.163 -1.036 5.506 127 HB2 ALA 16 HB2 ALA 16 -14.525 0.087 5.493 128 HB3 ALA 16 HB3 ALA 16 -14.776 -1.603 5.048 129 H LEU 17 H LEU 17 -12.321 -2.171 8.144 130 HA LEU 17 HA LEU 17 -12.680 -4.997 7.921 131 HB2 LEU 17 HB2 LEU 17 -10.870 -3.451 9.815 132 HB3 LEU 17 HB3 LEU 17 -10.737 -5.169 9.455 133 HG LEU 17 HG LEU 17 -10.346 -2.943 7.412 134 HD11 LEU 17 HD11 LEU 17 -8.595 -2.868 9.105 135 HD12 LEU 17 HD12 LEU 17 -7.955 -3.428 7.557 136 HD13 LEU 17 HD13 LEU 17 -8.252 -4.587 8.857 137 HD21 LEU 17 HD21 LEU 17 -11.106 -5.012 6.357 138 HD22 LEU 17 HD22 LEU 17 -9.841 -5.932 7.177 139 HD23 LEU 17 HD23 LEU 17 -9.411 -4.717 5.968 140 H ASN 18 H ASN 18 -13.106 -2.748 10.712 141 HA ASN 18 HA ASN 18 -14.043 -4.618 12.616 142 HB2 ASN 18 HB2 ASN 18 -14.701 -1.658 12.349 143 HB3 ASN 18 HB3 ASN 18 -15.085 -2.630 13.767 144 HD21 ASN 18 HD21 ASN 18 -13.353 -3.371 15.082 145 HD22 ASN 18 HD22 ASN 18 -11.801 -2.614 15.022 146 H GLU 19 H GLU 19 -15.762 -2.858 10.077 147 HA GLU 19 HA GLU 19 -18.400 -3.816 10.614 148 HB2 GLU 19 HB2 GLU 19 -17.111 -2.917 8.009 149 HB3 GLU 19 HB3 GLU 19 -18.833 -3.215 8.213 150 HG2 GLU 19 HG2 GLU 19 -18.997 -1.352 9.792 151 HG3 GLU 19 HG3 GLU 19 -17.253 -1.091 9.699 152 H ALA 20 H ALA 20 -15.857 -4.933 8.330 153 HA ALA 20 HA ALA 20 -16.483 -7.720 8.612 154 HB1 ALA 20 HB1 ALA 20 -17.296 -6.424 5.976 155 HB2 ALA 20 HB2 ALA 20 -18.403 -7.085 7.182 156 HB3 ALA 20 HB3 ALA 20 -17.300 -8.157 6.315 157 H ASP 21 H ASP 21 -14.299 -8.199 8.819 158 HA ASP 21 HA ASP 21 -12.360 -7.354 6.760 159 HB2 ASP 21 HB2 ASP 21 -10.631 -7.974 8.308 160 HB3 ASP 21 HB3 ASP 21 -11.841 -7.099 9.236 161 H GLY 22 H GLY 22 -10.554 -9.329 6.601 162 HA2 GLY 22 HA2 GLY 22 -10.042 -11.462 5.874 163 HA3 GLY 22 HA3 GLY 22 -11.660 -11.987 6.338 164 H ILE 23 H ILE 23 -10.246 -9.701 4.027 165 HA ILE 23 HA ILE 23 -12.072 -10.591 1.894 166 HB ILE 23 HB ILE 23 -13.254 -8.879 3.277 167 HG12 ILE 23 HG12 ILE 23 -12.520 -7.835 0.508 168 HG13 ILE 23 HG13 ILE 23 -13.776 -9.018 0.859 169 HG21 ILE 23 HG21 ILE 23 -11.320 -7.628 4.121 170 HG22 ILE 23 HG22 ILE 23 -12.497 -6.542 3.382 171 HG23 ILE 23 HG23 ILE 23 -11.021 -6.967 2.510 172 HD11 ILE 23 HD11 ILE 23 -14.999 -7.303 2.130 173 HD12 ILE 23 HD12 ILE 23 -14.734 -6.854 0.448 174 HD13 ILE 23 HD13 ILE 23 -13.749 -6.127 1.714 175 H SER 24 H SER 24 -11.476 -9.764 -0.235 176 HA SER 24 HA SER 24 -8.684 -9.321 -0.702 177 HB2 SER 24 HB2 SER 24 -11.050 -8.986 -2.600 178 HB3 SER 24 HB3 SER 24 -9.351 -9.049 -3.078 179 HG SER 24 HG SER 24 -9.551 -11.203 -1.784 180 H ILE 25 H ILE 25 -7.627 -7.426 -1.334 181 HA ILE 25 HA ILE 25 -8.321 -4.949 -0.274 182 HB ILE 25 HB ILE 25 -6.405 -5.521 -2.576 183 HG12 ILE 25 HG12 ILE 25 -5.803 -5.274 0.412 184 HG13 ILE 25 HG13 ILE 25 -5.891 -6.790 -0.478 185 HG21 ILE 25 HG21 ILE 25 -6.931 -3.131 -2.533 186 HG22 ILE 25 HG22 ILE 25 -5.276 -3.396 -1.992 187 HG23 ILE 25 HG23 ILE 25 -6.540 -3.047 -0.811 188 HD11 ILE 25 HD11 ILE 25 -3.858 -4.594 -0.944 189 HD12 ILE 25 HD12 ILE 25 -3.949 -6.126 -1.818 190 HD13 ILE 25 HD13 ILE 25 -3.586 -6.115 -0.094 191 HA PRO 26 HA PRO 26 -9.908 -3.489 -4.748 192 HB2 PRO 26 HB2 PRO 26 -11.004 -5.489 -6.357 193 HB3 PRO 26 HB3 PRO 26 -9.355 -4.872 -6.526 194 HG2 PRO 26 HG2 PRO 26 -10.319 -7.309 -5.027 195 HG3 PRO 26 HG3 PRO 26 -8.954 -7.166 -6.158 196 HD2 PRO 26 HD2 PRO 26 -8.500 -7.143 -3.524 197 HD3 PRO 26 HD3 PRO 26 -7.606 -6.019 -4.580 198 H GLU 27 H GLU 27 -11.440 -6.135 -2.996 199 HA GLU 27 HA GLU 27 -14.187 -5.391 -3.528 200 HB2 GLU 27 HB2 GLU 27 -12.932 -7.200 -1.421 201 HB3 GLU 27 HB3 GLU 27 -14.674 -7.033 -1.664 202 HG2 GLU 27 HG2 GLU 27 -12.667 -8.157 -3.641 203 HG3 GLU 27 HG3 GLU 27 -13.858 -9.070 -2.714 204 H LEU 28 H LEU 28 -11.988 -5.184 -0.823 205 HA LEU 28 HA LEU 28 -13.390 -3.655 1.038 206 HB2 LEU 28 HB2 LEU 28 -11.366 -4.899 1.529 207 HB3 LEU 28 HB3 LEU 28 -10.449 -3.957 0.369 208 HG LEU 28 HG LEU 28 -10.706 -1.960 1.851 209 HD11 LEU 28 HD11 LEU 28 -12.719 -2.580 3.099 210 HD12 LEU 28 HD12 LEU 28 -11.382 -2.242 4.194 211 HD13 LEU 28 HD13 LEU 28 -11.853 -3.913 3.870 212 HD21 LEU 28 HD21 LEU 28 -8.684 -3.310 1.820 213 HD22 LEU 28 HD22 LEU 28 -9.351 -4.383 3.054 214 HD23 LEU 28 HD23 LEU 28 -8.989 -2.699 3.450 215 H ALA 29 H ALA 29 -11.380 -2.661 -1.713 216 HA ALA 29 HA ALA 29 -11.229 0.111 -1.357 217 HB1 ALA 29 HB1 ALA 29 -9.889 -1.125 -3.014 218 HB2 ALA 29 HB2 ALA 29 -10.731 0.232 -3.764 219 HB3 ALA 29 HB3 ALA 29 -11.335 -1.415 -3.982 220 H ARG 30 H ARG 30 -13.782 -1.835 -2.852 221 HA ARG 30 HA ARG 30 -15.391 0.287 -3.861 222 HB2 ARG 30 HB2 ARG 30 -16.158 -2.559 -3.097 223 HB3 ARG 30 HB3 ARG 30 -17.197 -1.455 -3.996 224 HG2 ARG 30 HG2 ARG 30 -14.530 -2.581 -4.913 225 HG3 ARG 30 HG3 ARG 30 -16.128 -3.040 -5.509 226 HD2 ARG 30 HD2 ARG 30 -16.425 -0.671 -6.318 227 HD3 ARG 30 HD3 ARG 30 -14.754 -0.347 -5.837 228 HE ARG 30 HE ARG 30 -15.478 -2.388 -7.858 229 HH11 ARG 30 HH11 ARG 30 -13.408 0.219 -6.868 230 HH12 ARG 30 HH12 ARG 30 -12.511 0.195 -8.342 231 HH21 ARG 30 HH21 ARG 30 -14.322 -2.386 -9.720 232 HH22 ARG 30 HH22 ARG 30 -13.028 -1.265 -9.940 233 H LYS 31 H LYS 31 -15.334 -1.422 -0.748 234 HA LYS 31 HA LYS 31 -17.733 -0.309 0.350 235 HB2 LYS 31 HB2 LYS 31 -15.343 -1.431 1.877 236 HB3 LYS 31 HB3 LYS 31 -16.985 -1.234 2.495 237 HG2 LYS 31 HG2 LYS 31 -17.730 -2.898 0.716 238 HG3 LYS 31 HG3 LYS 31 -16.020 -3.199 0.384 239 HD2 LYS 31 HD2 LYS 31 -17.495 -3.680 3.003 240 HD3 LYS 31 HD3 LYS 31 -16.886 -4.912 1.897 241 HE2 LYS 31 HE2 LYS 31 -14.567 -4.209 2.397 242 HE3 LYS 31 HE3 LYS 31 -15.176 -2.956 3.480 243 HZ1 LYS 31 HZ1 LYS 31 -16.130 -4.656 4.876 244 HZ2 LYS 31 HZ2 LYS 31 -14.474 -4.926 4.680 245 HZ3 LYS 31 HZ3 LYS 31 -15.593 -5.870 3.833 246 H VAL 32 H VAL 32 -14.319 0.638 0.480 247 HA VAL 32 HA VAL 32 -14.868 2.947 2.203 248 HB VAL 32 HB VAL 32 -12.437 3.292 2.248 249 HG11 VAL 32 HG11 VAL 32 -11.806 1.195 3.409 250 HG12 VAL 32 HG12 VAL 32 -13.228 0.393 2.740 251 HG13 VAL 32 HG13 VAL 32 -13.421 1.738 3.867 252 HG21 VAL 32 HG21 VAL 32 -10.867 1.731 1.133 253 HG22 VAL 32 HG22 VAL 32 -11.856 2.589 -0.048 254 HG23 VAL 32 HG23 VAL 32 -12.227 0.914 0.354 255 H ASN 33 H ASN 33 -15.114 2.385 -1.048 256 HA ASN 33 HA ASN 33 -15.545 3.659 -2.859 257 HB2 ASN 33 HB2 ASN 33 -16.807 5.063 -1.159 258 HB3 ASN 33 HB3 ASN 33 -15.394 6.097 -1.026 259 HD21 ASN 33 HD21 ASN 33 -18.000 5.061 -3.141 260 HD22 ASN 33 HD22 ASN 33 -17.908 6.405 -4.217 261 H LEU 34 H LEU 34 -12.645 3.340 -1.673 262 HA LEU 34 HA LEU 34 -11.207 5.471 -3.123 263 HB2 LEU 34 HB2 LEU 34 -10.079 3.298 -1.301 264 HB3 LEU 34 HB3 LEU 34 -9.201 4.671 -1.953 265 HG LEU 34 HG LEU 34 -11.490 4.872 0.046 266 HD11 LEU 34 HD11 LEU 34 -8.507 5.164 0.522 267 HD12 LEU 34 HD12 LEU 34 -9.529 3.827 1.060 268 HD13 LEU 34 HD13 LEU 34 -9.788 5.443 1.708 269 HD21 LEU 34 HD21 LEU 34 -10.839 7.235 0.278 270 HD22 LEU 34 HD22 LEU 34 -11.342 6.870 -1.369 271 HD23 LEU 34 HD23 LEU 34 -9.626 7.039 -0.991 272 H SER 35 H SER 35 -9.306 4.848 -4.454 273 HA SER 35 HA SER 35 -9.604 2.726 -6.312 274 HB2 SER 35 HB2 SER 35 -8.277 4.710 -6.852 275 HB3 SER 35 HB3 SER 35 -7.161 4.385 -5.528 276 HG SER 35 HG SER 35 -6.196 3.639 -7.369 277 H VAL 36 H VAL 36 -8.503 0.707 -6.475 278 HA VAL 36 HA VAL 36 -7.974 -0.838 -4.208 279 HB VAL 36 HB VAL 36 -6.743 -1.212 -6.975 280 HG11 VAL 36 HG11 VAL 36 -7.221 -3.272 -4.782 281 HG12 VAL 36 HG12 VAL 36 -5.651 -2.666 -5.321 282 HG13 VAL 36 HG13 VAL 36 -6.646 -3.630 -6.414 283 HG21 VAL 36 HG21 VAL 36 -8.696 -2.643 -7.479 284 HG22 VAL 36 HG22 VAL 36 -9.178 -0.980 -7.138 285 HG23 VAL 36 HG23 VAL 36 -9.401 -2.232 -5.914 286 H GLU 37 H GLU 37 -5.746 0.982 -6.248 287 HA GLU 37 HA GLU 37 -3.299 0.365 -4.990 288 HB2 GLU 37 HB2 GLU 37 -4.116 2.795 -6.633 289 HB3 GLU 37 HB3 GLU 37 -2.450 2.379 -6.229 290 HG2 GLU 37 HG2 GLU 37 -2.662 0.263 -7.482 291 HG3 GLU 37 HG3 GLU 37 -4.338 0.647 -7.869 292 H SER 38 H SER 38 -5.620 3.017 -4.322 293 HA SER 38 HA SER 38 -3.988 4.260 -2.288 294 HB2 SER 38 HB2 SER 38 -6.019 5.621 -1.746 295 HB3 SER 38 HB3 SER 38 -5.580 5.678 -3.450 296 HG SER 38 HG SER 38 -7.513 3.861 -2.457 297 H THR 39 H THR 39 -6.356 1.711 -2.312 298 HA THR 39 HA THR 39 -6.863 1.695 0.533 299 HB THR 39 HB THR 39 -7.504 -0.381 -1.602 300 HG1 THR 39 HG1 THR 39 -9.673 0.817 -0.724 301 HG21 THR 39 HG21 THR 39 -7.527 -1.434 0.634 302 HG22 THR 39 HG22 THR 39 -9.165 -1.268 -0.000 303 HG23 THR 39 HG23 THR 39 -8.584 -0.150 1.236 304 H ALA 40 H ALA 40 -4.871 -0.302 -1.700 305 HA ALA 40 HA ALA 40 -3.748 -2.074 0.219 306 HB1 ALA 40 HB1 ALA 40 -2.579 -1.145 -2.431 307 HB2 ALA 40 HB2 ALA 40 -3.665 -2.518 -2.206 308 HB3 ALA 40 HB3 ALA 40 -2.044 -2.555 -1.509 309 H LEU 41 H LEU 41 -2.698 1.058 -1.027 310 HA LEU 41 HA LEU 41 -0.327 1.533 0.389 311 HB2 LEU 41 HB2 LEU 41 -1.633 2.892 -1.441 312 HB3 LEU 41 HB3 LEU 41 -2.461 3.630 -0.094 313 HG LEU 41 HG LEU 41 0.444 3.919 -0.920 314 HD11 LEU 41 HD11 LEU 41 -0.155 6.311 -1.021 315 HD12 LEU 41 HD12 LEU 41 -1.809 5.907 -0.542 316 HD13 LEU 41 HD13 LEU 41 -1.162 5.316 -2.074 317 HD21 LEU 41 HD21 LEU 41 -0.729 4.921 1.703 318 HD22 LEU 41 HD22 LEU 41 0.851 5.355 1.045 319 HD23 LEU 41 HD23 LEU 41 0.525 3.692 1.516 320 H ALA 42 H ALA 42 -3.681 2.340 1.267 321 HA ALA 42 HA ALA 42 -3.223 3.447 3.814 322 HB1 ALA 42 HB1 ALA 42 -5.742 2.152 2.723 323 HB2 ALA 42 HB2 ALA 42 -5.273 3.841 2.525 324 HB3 ALA 42 HB3 ALA 42 -5.659 3.216 4.129 325 H VAL 43 H VAL 43 -3.768 0.111 2.781 326 HA VAL 43 HA VAL 43 -4.011 -1.121 5.336 327 HB VAL 43 HB VAL 43 -3.141 -2.213 2.627 328 HG11 VAL 43 HG11 VAL 43 -3.333 -4.516 3.537 329 HG12 VAL 43 HG12 VAL 43 -3.524 -3.852 5.162 330 HG13 VAL 43 HG13 VAL 43 -2.008 -3.623 4.287 331 HG21 VAL 43 HG21 VAL 43 -5.336 -3.347 2.650 332 HG22 VAL 43 HG22 VAL 43 -5.527 -1.603 2.826 333 HG23 VAL 43 HG23 VAL 43 -5.689 -2.653 4.234 334 H GLY 44 H GLY 44 -1.165 -0.368 3.311 335 HA2 GLY 44 HA2 GLY 44 0.862 -1.375 5.022 336 HA3 GLY 44 HA3 GLY 44 1.059 -0.090 3.838 337 H TRP 45 H TRP 45 -0.903 1.687 5.054 338 HA TRP 45 HA TRP 45 0.679 3.010 7.053 339 HB2 TRP 45 HB2 TRP 45 -0.777 4.165 5.346 340 HB3 TRP 45 HB3 TRP 45 -2.194 3.593 6.218 341 HD1 TRP 45 HD1 TRP 45 -2.996 5.091 8.254 342 HE1 TRP 45 HE1 TRP 45 -2.137 7.267 9.309 343 HE3 TRP 45 HE3 TRP 45 1.573 5.353 5.976 344 HZ2 TRP 45 HZ2 TRP 45 0.156 8.894 9.202 345 HZ3 TRP 45 HZ3 TRP 45 3.048 7.262 6.510 346 HH2 TRP 45 HH2 TRP 45 2.356 8.993 8.096 347 H LEU 46 H LEU 46 -2.190 0.953 7.135 348 HA LEU 46 HA LEU 46 -2.625 1.097 9.976 349 HB2 LEU 46 HB2 LEU 46 -3.480 -0.983 7.930 350 HB3 LEU 46 HB3 LEU 46 -4.060 -0.919 9.590 351 HG LEU 46 HG LEU 46 -4.517 1.237 7.494 352 HD11 LEU 46 HD11 LEU 46 -5.776 -0.782 6.962 353 HD12 LEU 46 HD12 LEU 46 -6.848 0.522 7.465 354 HD13 LEU 46 HD13 LEU 46 -6.482 -0.796 8.584 355 HD21 LEU 46 HD21 LEU 46 -4.392 2.181 9.745 356 HD22 LEU 46 HD22 LEU 46 -5.600 1.030 10.322 357 HD23 LEU 46 HD23 LEU 46 -6.040 2.254 9.129 358 H ALA 47 H ALA 47 -0.845 -1.086 7.832 359 HA ALA 47 HA ALA 47 0.006 -3.039 9.645 360 HB1 ALA 47 HB1 ALA 47 1.713 -3.624 7.971 361 HB2 ALA 47 HB2 ALA 47 1.439 -2.092 7.137 362 HB3 ALA 47 HB3 ALA 47 0.160 -3.305 7.195 363 H ARG 48 H ARG 48 1.498 0.124 8.836 364 HA ARG 48 HA ARG 48 3.879 -0.206 10.338 365 HB2 ARG 48 HB2 ARG 48 4.275 2.098 10.026 366 HB3 ARG 48 HB3 ARG 48 3.256 1.693 8.650 367 HG2 ARG 48 HG2 ARG 48 1.311 2.636 9.784 368 HG3 ARG 48 HG3 ARG 48 2.266 2.961 11.220 369 HD2 ARG 48 HD2 ARG 48 3.705 4.473 9.703 370 HD3 ARG 48 HD3 ARG 48 2.381 4.348 8.540 371 HE ARG 48 HE ARG 48 0.928 5.207 10.412 372 HH11 ARG 48 HH11 ARG 48 4.246 6.143 10.151 373 HH12 ARG 48 HH12 ARG 48 4.055 7.513 11.179 374 HH21 ARG 48 HH21 ARG 48 0.708 6.957 11.731 375 HH22 ARG 48 HH22 ARG 48 2.064 7.968 12.061 376 H GLU 49 H GLU 49 0.621 0.708 11.292 377 HA GLU 49 HA GLU 49 1.290 1.380 14.046 378 HB2 GLU 49 HB2 GLU 49 -1.410 1.098 12.665 379 HB3 GLU 49 HB3 GLU 49 -1.145 1.787 14.264 380 HG2 GLU 49 HG2 GLU 49 -0.118 2.950 11.650 381 HG3 GLU 49 HG3 GLU 49 -1.544 3.501 12.524 382 H ASN 50 H ASN 50 0.982 -1.477 12.437 383 HA ASN 50 HA ASN 50 0.797 -3.658 12.958 384 HB2 ASN 50 HB2 ASN 50 0.790 -2.805 15.884 385 HB3 ASN 50 HB3 ASN 50 1.186 -4.409 15.272 386 HD21 ASN 50 HD21 ASN 50 2.819 -2.683 16.914 387 HD22 ASN 50 HD22 ASN 50 4.264 -2.368 16.028 388 H LYS 51 H LYS 51 -1.668 -1.965 12.668 389 HA LYS 51 HA LYS 51 -3.638 -3.140 14.486 390 HB2 LYS 51 HB2 LYS 51 -3.906 -0.988 12.353 391 HB3 LYS 51 HB3 LYS 51 -5.224 -1.522 13.398 392 HG2 LYS 51 HG2 LYS 51 -3.870 -0.801 15.381 393 HG3 LYS 51 HG3 LYS 51 -2.661 -0.148 14.272 394 HD2 LYS 51 HD2 LYS 51 -5.561 0.753 14.520 395 HD3 LYS 51 HD3 LYS 51 -4.142 1.629 15.098 396 HE2 LYS 51 HE2 LYS 51 -3.355 1.794 12.710 397 HE3 LYS 51 HE3 LYS 51 -4.876 1.054 12.206 398 HZ1 LYS 51 HZ1 LYS 51 -4.601 3.612 13.683 399 HZ2 LYS 51 HZ2 LYS 51 -6.057 2.914 13.183 400 HZ3 LYS 51 HZ3 LYS 51 -4.943 3.453 12.032 401 H VAL 52 H VAL 52 -2.397 -3.969 11.452 402 HA VAL 52 HA VAL 52 -4.761 -5.647 10.860 403 HB VAL 52 HB VAL 52 -4.441 -5.362 8.428 404 HG11 VAL 52 HG11 VAL 52 -6.114 -3.980 9.559 405 HG12 VAL 52 HG12 VAL 52 -5.399 -3.107 8.203 406 HG13 VAL 52 HG13 VAL 52 -4.906 -2.727 9.856 407 HG21 VAL 52 HG21 VAL 52 -2.405 -3.208 9.124 408 HG22 VAL 52 HG22 VAL 52 -3.016 -3.554 7.504 409 HG23 VAL 52 HG23 VAL 52 -2.054 -4.760 8.359 410 H VAL 53 H VAL 53 -4.354 -7.565 9.672 411 HA VAL 53 HA VAL 53 -1.550 -8.513 9.582 412 HB VAL 53 HB VAL 53 -2.444 -10.826 10.221 413 HG11 VAL 53 HG11 VAL 53 -2.453 -10.369 12.667 414 HG12 VAL 53 HG12 VAL 53 -2.650 -8.645 12.344 415 HG13 VAL 53 HG13 VAL 53 -1.172 -9.471 11.846 416 HG21 VAL 53 HG21 VAL 53 -4.584 -10.937 11.479 417 HG22 VAL 53 HG22 VAL 53 -4.838 -10.459 9.799 418 HG23 VAL 53 HG23 VAL 53 -4.900 -9.245 11.079 419 H ILE 54 H ILE 54 -0.954 -9.211 7.633 420 HA ILE 54 HA ILE 54 -2.977 -9.702 5.525 421 HB ILE 54 HB ILE 54 -0.017 -8.958 5.309 422 HG12 ILE 54 HG12 ILE 54 -1.005 -6.934 4.015 423 HG13 ILE 54 HG13 ILE 54 -2.568 -7.416 4.655 424 HG21 ILE 54 HG21 ILE 54 -1.923 -9.603 3.027 425 HG22 ILE 54 HG22 ILE 54 -0.508 -10.542 3.510 426 HG23 ILE 54 HG23 ILE 54 -0.303 -8.924 2.839 427 HD11 ILE 54 HD11 ILE 54 -0.172 -6.559 6.282 428 HD12 ILE 54 HD12 ILE 54 -1.752 -7.014 6.927 429 HD13 ILE 54 HD13 ILE 54 -1.594 -5.585 5.909 430 H GLU 55 H GLU 55 -3.309 -11.789 4.883 431 HA GLU 55 HA GLU 55 -1.273 -13.859 5.419 432 HB2 GLU 55 HB2 GLU 55 -4.225 -14.056 4.728 433 HB3 GLU 55 HB3 GLU 55 -3.154 -15.453 4.693 434 HG2 GLU 55 HG2 GLU 55 -2.608 -14.920 7.146 435 HG3 GLU 55 HG3 GLU 55 -3.971 -13.795 7.096 436 H ARG 56 H ARG 56 0.060 -14.420 3.824 437 HA ARG 56 HA ARG 56 -0.757 -14.195 0.992 438 HB2 ARG 56 HB2 ARG 56 1.978 -14.264 2.317 439 HB3 ARG 56 HB3 ARG 56 1.782 -14.521 0.584 440 HG2 ARG 56 HG2 ARG 56 0.782 -12.287 0.345 441 HG3 ARG 56 HG3 ARG 56 0.917 -12.024 2.087 442 HD2 ARG 56 HD2 ARG 56 3.312 -11.962 1.984 443 HD3 ARG 56 HD3 ARG 56 3.326 -12.589 0.334 444 HE ARG 56 HE ARG 56 2.825 -10.496 -0.485 445 HH11 ARG 56 HH11 ARG 56 2.617 -10.348 2.994 446 HH12 ARG 56 HH12 ARG 56 2.595 -8.622 3.003 447 HH21 ARG 56 HH21 ARG 56 2.757 -8.316 -0.429 448 HH22 ARG 56 HH22 ARG 56 2.673 -7.483 1.080 449 H LYS 57 H LYS 57 -1.820 -16.028 0.560 450 HA LYS 57 HA LYS 57 -0.416 -18.637 0.901 451 HB2 LYS 57 HB2 LYS 57 -3.427 -18.206 1.185 452 HB3 LYS 57 HB3 LYS 57 -2.599 -19.759 1.257 453 HG2 LYS 57 HG2 LYS 57 -1.397 -18.932 3.321 454 HG3 LYS 57 HG3 LYS 57 -2.411 -17.486 3.266 455 HD2 LYS 57 HD2 LYS 57 -3.359 -20.360 3.632 456 HD3 LYS 57 HD3 LYS 57 -3.330 -19.097 4.866 457 HE2 LYS 57 HE2 LYS 57 -5.046 -19.091 2.352 458 HE3 LYS 57 HE3 LYS 57 -5.605 -19.443 3.987 459 HZ1 LYS 57 HZ1 LYS 57 -6.103 -17.174 3.325 460 HZ2 LYS 57 HZ2 LYS 57 -4.463 -16.852 3.091 461 HZ3 LYS 57 HZ3 LYS 57 -5.051 -17.201 4.637 462 H ASN 58 H ASN 58 -0.260 -19.810 -0.951 463 HA ASN 58 HA ASN 58 -0.156 -20.291 -3.172 464 HB2 ASN 58 HB2 ASN 58 -3.056 -19.338 -3.201 465 HB3 ASN 58 HB3 ASN 58 -2.306 -20.395 -4.398 466 HD21 ASN 58 HD21 ASN 58 -4.562 -20.689 -2.360 467 HD22 ASN 58 HD22 ASN 58 -4.218 -22.188 -1.583 468 H GLY 59 H GLY 59 0.676 -17.607 -2.392 469 HA2 GLY 59 HA2 GLY 59 1.470 -15.678 -3.380 470 HA3 GLY 59 HA3 GLY 59 0.818 -16.227 -4.914 471 H LEU 60 H LEU 60 -1.686 -16.273 -2.676 472 HA LEU 60 HA LEU 60 -2.862 -13.813 -3.765 473 HB2 LEU 60 HB2 LEU 60 -4.109 -16.091 -2.178 474 HB3 LEU 60 HB3 LEU 60 -4.997 -14.719 -2.831 475 HG LEU 60 HG LEU 60 -3.529 -16.822 -4.481 476 HD11 LEU 60 HD11 LEU 60 -6.508 -16.421 -4.066 477 HD12 LEU 60 HD12 LEU 60 -5.526 -17.747 -3.435 478 HD13 LEU 60 HD13 LEU 60 -5.759 -17.579 -5.173 479 HD21 LEU 60 HD21 LEU 60 -5.237 -14.482 -5.407 480 HD22 LEU 60 HD22 LEU 60 -4.581 -15.755 -6.441 481 HD23 LEU 60 HD23 LEU 60 -3.490 -14.655 -5.608 482 H ILE 61 H ILE 61 -3.263 -12.039 -2.585 483 HA ILE 61 HA ILE 61 -2.451 -11.948 0.253 484 HB ILE 61 HB ILE 61 -2.702 -9.769 -1.865 485 HG12 ILE 61 HG12 ILE 61 -0.276 -10.950 -0.446 486 HG13 ILE 61 HG13 ILE 61 -0.740 -11.261 -2.114 487 HG21 ILE 61 HG21 ILE 61 -1.884 -9.439 1.041 488 HG22 ILE 61 HG22 ILE 61 -3.345 -8.798 0.294 489 HG23 ILE 61 HG23 ILE 61 -1.766 -8.189 -0.198 490 HD11 ILE 61 HD11 ILE 61 -0.287 -8.930 -2.670 491 HD12 ILE 61 HD12 ILE 61 1.117 -9.728 -1.965 492 HD13 ILE 61 HD13 ILE 61 0.164 -8.612 -0.992 493 H GLU 62 H GLU 62 -4.039 -11.996 1.687 494 HA GLU 62 HA GLU 62 -6.646 -10.672 1.155 495 HB2 GLU 62 HB2 GLU 62 -6.099 -13.218 2.761 496 HB3 GLU 62 HB3 GLU 62 -7.648 -12.380 2.732 497 HG2 GLU 62 HG2 GLU 62 -6.280 -13.646 0.336 498 HG3 GLU 62 HG3 GLU 62 -7.609 -14.353 1.252 499 H ILE 63 H ILE 63 -7.284 -9.193 2.659 500 HA ILE 63 HA ILE 63 -5.477 -8.642 4.907 501 HB ILE 63 HB ILE 63 -5.791 -6.772 3.397 502 HG12 ILE 63 HG12 ILE 63 -6.538 -5.011 5.000 503 HG13 ILE 63 HG13 ILE 63 -7.259 -6.252 6.023 504 HG21 ILE 63 HG21 ILE 63 -7.952 -5.655 3.020 505 HG22 ILE 63 HG22 ILE 63 -8.768 -6.917 3.943 506 HG23 ILE 63 HG23 ILE 63 -7.964 -7.319 2.426 507 HD11 ILE 63 HD11 ILE 63 -5.110 -5.447 6.848 508 HD12 ILE 63 HD12 ILE 63 -4.320 -6.022 5.383 509 HD13 ILE 63 HD13 ILE 63 -5.072 -7.171 6.495 510 H TYR 64 H TYR 64 -5.986 -9.385 6.803 511 HA TYR 64 HA TYR 64 -8.781 -9.642 7.762 512 HB2 TYR 64 HB2 TYR 64 -6.208 -11.018 8.673 513 HB3 TYR 64 HB3 TYR 64 -7.740 -11.171 9.521 514 HD1 TYR 64 HD1 TYR 64 -6.009 -11.941 6.301 515 HD2 TYR 64 HD2 TYR 64 -9.409 -12.745 8.765 516 HE1 TYR 64 HE1 TYR 64 -6.610 -13.840 4.858 517 HE2 TYR 64 HE2 TYR 64 -10.012 -14.637 7.319 518 HH TYR 64 HH TYR 64 -9.627 -15.337 4.947 519 H ASN 65 H ASN 65 -9.063 -9.179 10.130 520 HA ASN 65 HA ASN 65 -7.722 -6.702 10.935 521 HB2 ASN 65 HB2 ASN 65 -10.285 -7.182 11.099 522 HB3 ASN 65 HB3 ASN 65 -9.886 -8.156 12.506 523 HD21 ASN 65 HD21 ASN 65 -11.542 -5.795 12.412 524 HD22 ASN 65 HD22 ASN 65 -10.808 -4.619 13.438 525 H GLU 66 H GLU 66 -6.442 -6.514 12.762 526 HA GLU 66 HA GLU 66 -4.679 -8.585 13.377 527 HB2 GLU 66 HB2 GLU 66 -4.135 -6.196 13.637 528 HB3 GLU 66 HB3 GLU 66 -5.264 -6.053 14.971 529 HG2 GLU 66 HG2 GLU 66 -2.963 -7.990 15.218 530 HG3 GLU 66 HG3 GLU 66 -2.637 -6.267 15.367 531 H GLY 67 H GLY 67 -4.487 -10.094 14.990 532 HA2 GLY 67 HA2 GLY 67 -5.174 -10.899 17.245 533 HA3 GLY 67 HA3 GLY 67 -6.830 -10.513 16.799 534 H HIS 68 H HIS 68 -6.369 -11.522 14.025 535 HA HIS 68 HA HIS 68 -5.933 -14.407 14.436 536 HB2 HIS 68 HB2 HIS 68 -7.929 -14.894 12.937 537 HB3 HIS 68 HB3 HIS 68 -8.304 -14.321 14.553 538 HD1 HIS 68 HD1 HIS 68 -9.546 -12.109 14.764 539 HD2 HIS 68 HD2 HIS 68 -8.654 -13.101 10.838 540 HE1 HIS 68 HE1 HIS 68 -10.957 -10.591 13.358 541 HE2 HIS 68 HE2 HIS 68 -10.614 -11.437 11.032 542 H PHE 69 H PHE 69 -4.273 -14.885 13.247 543 HA PHE 69 HA PHE 69 -4.202 -14.380 10.358 544 HB2 PHE 69 HB2 PHE 69 -1.830 -13.609 10.439 545 HB3 PHE 69 HB3 PHE 69 -2.899 -12.497 11.275 546 HD1 PHE 69 HD2 PHE 69 -2.964 -12.533 13.835 547 HD2 PHE 69 HD1 PHE 69 0.038 -14.612 11.597 548 HE1 PHE 69 HE2 PHE 69 -1.540 -12.646 15.836 549 HE2 PHE 69 HE1 PHE 69 1.453 -14.718 13.608 550 HZ PHE 69 HZ PHE 69 0.665 -13.734 15.726 551 H ASP 70 H ASP 70 -4.585 -16.672 12.265 552 HA ASP 70 HA ASP 70 -2.146 -18.253 12.213 553 HB2 ASP 70 HB2 ASP 70 -3.827 -18.080 14.165 554 HB3 ASP 70 HB3 ASP 70 -4.884 -19.119 13.222 555 H PHE 71 H PHE 71 -3.120 -17.702 9.598 556 HA PHE 71 HA PHE 71 -3.222 -18.653 7.575 557 HB2 PHE 71 HB2 PHE 71 -2.243 -21.131 9.048 558 HB3 PHE 71 HB3 PHE 71 -2.164 -20.881 7.306 559 HD1 PHE 71 HD2 PHE 71 -0.723 -19.890 10.561 560 HD2 PHE 71 HD1 PHE 71 -0.512 -19.332 6.323 561 HE1 PHE 71 HE2 PHE 71 1.457 -18.787 10.813 562 HE2 PHE 71 HE1 PHE 71 1.666 -18.221 6.592 563 HZ PHE 71 HZ PHE 71 2.655 -17.951 8.830 564 H SER 72 H SER 72 -5.435 -18.502 7.172 565 HA SER 72 HA SER 72 -7.484 -20.224 7.875 566 HB2 SER 72 HB2 SER 72 -7.859 -18.112 6.645 567 HB3 SER 72 HB3 SER 72 -7.133 -18.807 5.200 568 HG SER 72 HG SER 72 -9.525 -18.835 5.391 569 H PHE 73 H PHE 73 -7.296 -22.379 7.846 570 HA PHE 73 HA PHE 73 -5.498 -23.790 6.128 571 HB2 PHE 73 HB2 PHE 73 -5.858 -24.359 8.528 572 HB3 PHE 73 HB3 PHE 73 -7.499 -24.870 8.156 573 HD1 PHE 73 HD2 PHE 73 -3.943 -25.582 7.161 574 HD2 PHE 73 HD1 PHE 73 -7.878 -27.167 7.732 575 HE1 PHE 73 HE2 PHE 73 -3.102 -27.849 6.707 576 HE2 PHE 73 HE1 PHE 73 -7.024 -29.430 7.283 577 HZ PHE 73 HZ PHE 73 -4.639 -29.772 6.769 578 H GLY 74 H GLY 74 -6.164 -23.744 4.018 579 HA2 GLY 74 HA2 GLY 74 -8.274 -25.574 3.191 580 HA3 GLY 74 HA3 GLY 74 -8.554 -23.888 2.767 581 H LEU 75 H LEU 75 -6.087 -26.443 2.540 582 HA LEU 75 HA LEU 75 -4.737 -25.172 0.304 583 HB2 LEU 75 HB2 LEU 75 -4.212 -27.779 1.763 584 HB3 LEU 75 HB3 LEU 75 -3.264 -27.242 0.390 585 HG LEU 75 HG LEU 75 -2.003 -26.708 2.323 586 HD11 LEU 75 HD11 LEU 75 -3.293 -24.140 1.400 587 HD12 LEU 75 HD12 LEU 75 -1.942 -24.981 0.632 588 HD13 LEU 75 HD13 LEU 75 -1.745 -24.289 2.240 589 HD21 LEU 75 HD21 LEU 75 -3.738 -26.890 4.031 590 HD22 LEU 75 HD22 LEU 75 -4.421 -25.339 3.536 591 HD23 LEU 75 HD23 LEU 75 -2.804 -25.411 4.243 592 H GLU 76 H GLU 76 -6.235 -25.138 -1.263 593 HA GLU 76 HA GLU 76 -7.032 -27.662 -2.611 594 HB2 GLU 76 HB2 GLU 76 -8.968 -26.347 -1.939 595 HB3 GLU 76 HB3 GLU 76 -8.279 -24.876 -2.606 596 HG2 GLU 76 HG2 GLU 76 -10.073 -25.656 -4.035 597 HG3 GLU 76 HG3 GLU 76 -8.541 -25.783 -4.890 598 H HIS 77 H HIS 77 -6.240 -28.040 -4.655 599 HA HIS 77 HA HIS 77 -4.504 -26.068 -5.959 600 HB2 HIS 77 HB2 HIS 77 -5.184 -28.933 -6.778 601 HB3 HIS 77 HB3 HIS 77 -3.994 -27.900 -7.570 602 HD1 HIS 77 HD1 HIS 77 -2.048 -27.014 -5.735 603 HD2 HIS 77 HD2 HIS 77 -4.017 -30.584 -4.940 604 HE1 HIS 77 HE1 HIS 77 -0.598 -28.221 -4.088 605 HE2 HIS 77 HE2 HIS 77 -1.881 -30.302 -3.513 606 H HIS 78 H HIS 78 -6.632 -24.789 -5.959 607 HA HIS 78 HA HIS 78 -8.592 -25.252 -7.989 608 HB2 HIS 78 HB2 HIS 78 -9.016 -23.888 -5.927 609 HB3 HIS 78 HB3 HIS 78 -7.879 -22.675 -6.498 610 HD1 HIS 78 HD1 HIS 78 -11.351 -23.979 -7.050 611 HD2 HIS 78 HD2 HIS 78 -8.907 -20.923 -8.447 612 HE1 HIS 78 HE1 HIS 78 -12.859 -22.446 -8.331 613 HE2 HIS 78 HE2 HIS 78 -11.408 -20.502 -8.975 614 H HIS 79 H HIS 79 -8.643 -24.555 -10.101 615 HA HIS 79 HA HIS 79 -6.282 -23.910 -11.493 616 HB2 HIS 79 HB2 HIS 79 -8.331 -25.012 -12.468 617 HB3 HIS 79 HB3 HIS 79 -9.150 -23.453 -12.426 618 HD1 HIS 79 HD1 HIS 79 -6.449 -25.343 -14.246 619 HD2 HIS 79 HD2 HIS 79 -8.447 -21.711 -14.530 620 HE1 HIS 79 HE1 HIS 79 -5.846 -24.415 -16.497 621 HE2 HIS 79 HE2 HIS 79 -7.231 -22.329 -16.719 622 H HIS 80 H HIS 80 -5.176 -22.074 -11.233 623 HA HIS 80 HA HIS 80 -6.454 -19.440 -11.429 624 HB2 HIS 80 HB2 HIS 80 -6.460 -20.038 -8.981 625 HB3 HIS 80 HB3 HIS 80 -4.708 -20.197 -9.038 626 HD1 HIS 80 HD1 HIS 80 -7.451 -17.643 -9.079 627 HD2 HIS 80 HD2 HIS 80 -3.300 -17.750 -9.005 628 HE1 HIS 80 HE1 HIS 80 -6.730 -15.293 -8.613 629 HE2 HIS 80 HE2 HIS 80 -4.228 -15.349 -8.761 630 H HIS 81 H HIS 81 -5.230 -18.126 -12.667 631 HA HIS 81 HA HIS 81 -2.661 -18.906 -13.674 632 HB2 HIS 81 HB2 HIS 81 -4.203 -16.301 -14.009 633 HB3 HIS 81 HB3 HIS 81 -2.728 -16.705 -14.885 634 HD1 HIS 81 HD1 HIS 81 -3.238 -19.511 -15.822 635 HD2 HIS 81 HD2 HIS 81 -6.174 -16.571 -15.880 636 HE1 HIS 81 HE1 HIS 81 -4.915 -20.273 -17.521 637 HE2 HIS 81 HE2 HIS 81 -6.729 -18.537 -17.463 638 H HIS 82 H HIS 82 -0.713 -18.480 -12.919 639 HA HIS 82 HA HIS 82 -0.319 -17.012 -10.447 640 HB2 HIS 82 HB2 HIS 82 2.073 -17.851 -10.681 641 HB3 HIS 82 HB3 HIS 82 0.845 -19.109 -10.639 642 HD1 HIS 82 HD1 HIS 82 3.194 -17.379 -13.033 643 HD2 HIS 82 HD2 HIS 82 0.759 -20.741 -12.888 644 HE1 HIS 82 HE1 HIS 82 3.709 -18.668 -15.119 645 HE2 HIS 82 HE2 HIS 82 2.233 -20.701 -15.010 646 H1 MET 1 H MET 1 7.218 -11.422 12.210 647 HA MET 1 HA MET 1 7.629 -12.672 10.358 648 HB2 MET 1 HB2 MET 1 5.664 -13.965 9.303 649 HB3 MET 1 HB3 MET 1 6.077 -14.365 10.960 650 HG2 MET 1 HG2 MET 1 4.188 -13.051 11.786 651 HG3 MET 1 HG3 MET 1 3.787 -12.551 10.144 652 HE1 MET 1 HE1 MET 1 2.586 -15.934 8.543 653 HE2 MET 1 HE2 MET 1 4.197 -15.224 8.469 654 HE3 MET 1 HE3 MET 1 2.774 -14.197 8.296 655 H ASP 2 H ASP 2 4.536 -10.925 9.923 656 HA ASP 2 HA ASP 2 4.989 -10.284 7.161 657 HB2 ASP 2 HB2 ASP 2 2.886 -8.977 7.388 658 HB3 ASP 2 HB3 ASP 2 2.722 -10.598 8.050 659 H LYS 3 H LYS 3 5.731 -8.706 10.175 660 HA LYS 3 HA LYS 3 5.807 -6.013 9.188 661 HB2 LYS 3 HB2 LYS 3 5.430 -6.963 11.644 662 HB3 LYS 3 HB3 LYS 3 7.175 -6.821 11.754 663 HG2 LYS 3 HG2 LYS 3 6.041 -4.852 12.688 664 HG3 LYS 3 HG3 LYS 3 7.043 -4.417 11.301 665 HD2 LYS 3 HD2 LYS 3 4.776 -3.288 11.375 666 HD3 LYS 3 HD3 LYS 3 5.122 -4.155 9.880 667 HE2 LYS 3 HE2 LYS 3 2.782 -4.475 10.719 668 HE3 LYS 3 HE3 LYS 3 3.668 -5.985 10.533 669 HZ1 LYS 3 HZ1 LYS 3 4.059 -6.002 12.914 670 HZ2 LYS 3 HZ2 LYS 3 2.405 -5.940 12.575 671 HZ3 LYS 3 HZ3 LYS 3 3.220 -4.551 13.082 672 H LYS 4 H LYS 4 8.183 -8.560 9.400 673 HA LYS 4 HA LYS 4 10.403 -6.787 8.739 674 HB2 LYS 4 HB2 LYS 4 10.653 -8.811 10.245 675 HB3 LYS 4 HB3 LYS 4 10.399 -9.828 8.830 676 HG2 LYS 4 HG2 LYS 4 12.433 -9.057 7.805 677 HG3 LYS 4 HG3 LYS 4 12.623 -7.774 9.005 678 HD2 LYS 4 HD2 LYS 4 12.999 -9.489 10.761 679 HD3 LYS 4 HD3 LYS 4 12.823 -10.761 9.547 680 HE2 LYS 4 HE2 LYS 4 14.976 -8.608 9.515 681 HE3 LYS 4 HE3 LYS 4 15.203 -10.269 10.066 682 HZ1 LYS 4 HZ1 LYS 4 15.961 -9.985 7.798 683 HZ2 LYS 4 HZ2 LYS 4 14.433 -9.452 7.314 684 HZ3 LYS 4 HZ3 LYS 4 14.642 -11.044 7.844 685 H ILE 5 H ILE 5 8.088 -8.832 7.073 686 HA ILE 5 HA ILE 5 9.310 -8.888 4.495 687 HB ILE 5 HB ILE 5 6.346 -8.994 5.220 688 HG12 ILE 5 HG12 ILE 5 8.293 -11.253 4.563 689 HG13 ILE 5 HG13 ILE 5 7.706 -10.859 6.174 690 HG21 ILE 5 HG21 ILE 5 6.582 -8.305 2.875 691 HG22 ILE 5 HG22 ILE 5 5.983 -9.960 2.950 692 HG23 ILE 5 HG23 ILE 5 7.678 -9.653 2.561 693 HD11 ILE 5 HD11 ILE 5 6.038 -11.858 3.868 694 HD12 ILE 5 HD12 ILE 5 5.427 -11.440 5.471 695 HD13 ILE 5 HD13 ILE 5 6.554 -12.782 5.278 696 H VAL 6 H VAL 6 6.862 -6.642 5.926 697 HA VAL 6 HA VAL 6 6.627 -4.938 3.682 698 HB VAL 6 HB VAL 6 5.575 -3.275 5.167 699 HG11 VAL 6 HG11 VAL 6 3.727 -4.640 6.058 700 HG12 VAL 6 HG12 VAL 6 4.708 -6.099 5.887 701 HG13 VAL 6 HG13 VAL 6 4.218 -5.195 4.457 702 HG21 VAL 6 HG21 VAL 6 6.483 -5.018 7.491 703 HG22 VAL 6 HG22 VAL 6 5.407 -3.624 7.620 704 HG23 VAL 6 HG23 VAL 6 7.082 -3.403 7.111 705 H GLY 7 H GLY 7 8.977 -4.996 6.313 706 HA2 GLY 7 HA2 GLY 7 10.246 -2.479 5.788 707 HA3 GLY 7 HA3 GLY 7 10.904 -3.807 6.730 708 H ALA 8 H ALA 8 11.111 -5.845 4.933 709 HA ALA 8 HA ALA 8 13.544 -5.279 3.583 710 HB1 ALA 8 HB1 ALA 8 13.401 -7.601 2.765 711 HB2 ALA 8 HB2 ALA 8 11.713 -7.685 3.281 712 HB3 ALA 8 HB3 ALA 8 12.996 -7.508 4.481 713 H ASN 9 H ASN 9 10.296 -6.017 2.305 714 HA ASN 9 HA ASN 9 10.731 -5.651 -0.428 715 HB2 ASN 9 HB2 ASN 9 8.194 -5.248 1.215 716 HB3 ASN 9 HB3 ASN 9 8.221 -5.227 -0.547 717 HD21 ASN 9 HD21 ASN 9 6.875 -7.009 -0.720 718 HD22 ASN 9 HD22 ASN 9 7.369 -8.609 -0.306 719 H ALA 10 H ALA 10 9.935 -3.220 2.076 720 HA ALA 10 HA ALA 10 9.300 -1.070 0.299 721 HB1 ALA 10 HB1 ALA 10 10.193 -0.977 3.203 722 HB2 ALA 10 HB2 ALA 10 8.532 -1.129 2.633 723 HB3 ALA 10 HB3 ALA 10 9.435 0.348 2.308 724 H GLY 11 H GLY 11 12.284 -2.062 1.952 725 HA2 GLY 11 HA2 GLY 11 13.947 0.126 1.291 726 HA3 GLY 11 HA3 GLY 11 14.500 -1.512 1.628 727 H LYS 12 H LYS 12 13.323 -2.921 -0.424 728 HA LYS 12 HA LYS 12 15.086 -2.500 -2.622 729 HB2 LYS 12 HB2 LYS 12 14.287 -4.739 -1.919 730 HB3 LYS 12 HB3 LYS 12 12.644 -4.311 -2.390 731 HG2 LYS 12 HG2 LYS 12 13.305 -4.181 -4.735 732 HG3 LYS 12 HG3 LYS 12 14.997 -4.457 -4.302 733 HD2 LYS 12 HD2 LYS 12 14.369 -6.718 -3.437 734 HD3 LYS 12 HD3 LYS 12 12.706 -6.433 -3.966 735 HE2 LYS 12 HE2 LYS 12 13.963 -7.800 -5.594 736 HE3 LYS 12 HE3 LYS 12 13.463 -6.263 -6.298 737 HZ1 LYS 12 HZ1 LYS 12 16.167 -6.903 -5.260 738 HZ2 LYS 12 HZ2 LYS 12 15.698 -5.413 -5.902 739 HZ3 LYS 12 HZ3 LYS 12 15.727 -6.791 -6.885 740 H VAL 13 H VAL 13 11.582 -1.968 -2.213 741 HA VAL 13 HA VAL 13 10.874 -1.070 -4.771 742 HB VAL 13 HB VAL 13 9.686 -0.523 -2.022 743 HG11 VAL 13 HG11 VAL 13 7.671 0.431 -3.118 744 HG12 VAL 13 HG12 VAL 13 8.512 0.401 -4.671 745 HG13 VAL 13 HG13 VAL 13 9.098 1.442 -3.372 746 HG21 VAL 13 HG21 VAL 13 9.462 -2.824 -2.895 747 HG22 VAL 13 HG22 VAL 13 8.704 -2.206 -4.364 748 HG23 VAL 13 HG23 VAL 13 7.883 -2.035 -2.810 749 H TRP 14 H TRP 14 12.029 0.756 -1.990 750 HA TRP 14 HA TRP 14 11.910 3.356 -3.085 751 HB2 TRP 14 HB2 TRP 14 12.197 2.770 -0.611 752 HB3 TRP 14 HB3 TRP 14 13.905 2.491 -0.943 753 HD1 TRP 14 HD1 TRP 14 11.312 5.330 -0.772 754 HE1 TRP 14 HE1 TRP 14 12.549 7.573 -0.655 755 HE3 TRP 14 HE3 TRP 14 16.066 3.671 -1.480 756 HZ2 TRP 14 HZ2 TRP 14 15.192 8.544 -0.838 757 HZ3 TRP 14 HZ3 TRP 14 17.917 5.311 -1.505 758 HH2 TRP 14 HH2 TRP 14 17.483 7.701 -1.189 759 H HIS 15 H HIS 15 14.433 0.887 -3.339 760 HA HIS 15 HA HIS 15 16.573 2.469 -4.288 761 HB2 HIS 15 HB2 HIS 15 15.978 -0.473 -4.747 762 HB3 HIS 15 HB3 HIS 15 17.488 0.297 -5.228 763 HD1 HIS 15 HD1 HIS 15 16.918 -1.997 -2.980 764 HD2 HIS 15 HD2 HIS 15 17.989 1.972 -2.378 765 HE1 HIS 15 HE1 HIS 15 18.025 -1.941 -0.729 766 HE2 HIS 15 HE2 HIS 15 18.825 0.428 -0.482 767 H ALA 16 H ALA 16 13.809 1.140 -6.045 768 HA ALA 16 HA ALA 16 14.770 1.572 -8.701 769 HB1 ALA 16 HB1 ALA 16 12.423 1.324 -9.385 770 HB2 ALA 16 HB2 ALA 16 11.912 1.483 -7.702 771 HB3 ALA 16 HB3 ALA 16 12.871 0.091 -8.204 772 H LEU 17 H LEU 17 13.323 3.740 -6.332 773 HA LEU 17 HA LEU 17 12.735 5.954 -8.044 774 HB2 LEU 17 HB2 LEU 17 13.329 5.841 -5.068 775 HB3 LEU 17 HB3 LEU 17 12.745 7.274 -5.893 776 HG LEU 17 HG LEU 17 11.224 4.653 -5.621 777 HD11 LEU 17 HD11 LEU 17 10.777 7.326 -4.250 778 HD12 LEU 17 HD12 LEU 17 11.365 5.843 -3.494 779 HD13 LEU 17 HD13 LEU 17 9.725 5.911 -4.129 780 HD21 LEU 17 HD21 LEU 17 10.677 5.755 -7.732 781 HD22 LEU 17 HD22 LEU 17 10.365 7.276 -6.892 782 HD23 LEU 17 HD23 LEU 17 9.322 5.880 -6.613 783 H ASN 18 H ASN 18 15.727 4.757 -6.777 784 HA ASN 18 HA ASN 18 17.270 7.129 -6.622 785 HB2 ASN 18 HB2 ASN 18 17.892 5.004 -5.508 786 HB3 ASN 18 HB3 ASN 18 18.174 4.252 -7.072 787 HD21 ASN 18 HD21 ASN 18 20.089 4.745 -8.187 788 HD22 ASN 18 HD22 ASN 18 21.394 5.603 -7.451 789 H GLU 19 H GLU 19 16.456 5.028 -9.345 790 HA GLU 19 HA GLU 19 18.305 6.406 -11.164 791 HB2 GLU 19 HB2 GLU 19 17.612 4.765 -12.845 792 HB3 GLU 19 HB3 GLU 19 18.081 3.950 -11.358 793 HG2 GLU 19 HG2 GLU 19 15.703 3.653 -10.766 794 HG3 GLU 19 HG3 GLU 19 15.228 4.469 -12.254 795 H ALA 20 H ALA 20 14.824 6.223 -10.437 796 HA ALA 20 HA ALA 20 14.215 8.631 -11.885 797 HB1 ALA 20 HB1 ALA 20 14.330 7.068 -13.796 798 HB2 ALA 20 HB2 ALA 20 12.693 7.689 -13.574 799 HB3 ALA 20 HB3 ALA 20 13.097 6.051 -13.048 800 H ASP 21 H ASP 21 13.005 9.526 -10.279 801 HA ASP 21 HA ASP 21 10.762 8.208 -9.003 802 HB2 ASP 21 HB2 ASP 21 10.292 10.409 -8.024 803 HB3 ASP 21 HB3 ASP 21 11.997 10.029 -7.875 804 H GLY 22 H GLY 22 8.561 9.713 -9.144 805 HA2 GLY 22 HA2 GLY 22 6.717 10.254 -10.435 806 HA3 GLY 22 HA3 GLY 22 7.827 10.702 -11.726 807 H ILE 23 H ILE 23 6.664 7.820 -10.048 808 HA ILE 23 HA ILE 23 6.289 6.348 -12.561 809 HB ILE 23 HB ILE 23 8.606 5.879 -11.822 810 HG12 ILE 23 HG12 ILE 23 6.837 3.436 -11.387 811 HG13 ILE 23 HG13 ILE 23 7.290 4.079 -12.962 812 HG21 ILE 23 HG21 ILE 23 8.389 6.276 -9.413 813 HG22 ILE 23 HG22 ILE 23 9.125 4.702 -9.727 814 HG23 ILE 23 HG23 ILE 23 7.430 4.802 -9.242 815 HD11 ILE 23 HD11 ILE 23 8.631 2.152 -12.398 816 HD12 ILE 23 HD12 ILE 23 9.170 2.916 -10.903 817 HD13 ILE 23 HD13 ILE 23 9.650 3.591 -12.465 818 H SER 24 H SER 24 4.632 4.867 -12.476 819 HA SER 24 HA SER 24 2.821 4.958 -10.193 820 HB2 SER 24 HB2 SER 24 2.568 3.584 -12.903 821 HB3 SER 24 HB3 SER 24 1.301 3.618 -11.675 822 HG SER 24 HG SER 24 2.408 6.061 -12.483 823 H ILE 25 H ILE 25 1.833 2.919 -9.387 824 HA ILE 25 HA ILE 25 3.798 1.389 -8.100 825 HB ILE 25 HB ILE 25 0.816 0.812 -8.301 826 HG12 ILE 25 HG12 ILE 25 2.361 2.404 -6.194 827 HG13 ILE 25 HG13 ILE 25 1.332 3.097 -7.440 828 HG21 ILE 25 HG21 ILE 25 1.065 -0.444 -6.185 829 HG22 ILE 25 HG22 ILE 25 2.813 -0.202 -6.239 830 HG23 ILE 25 HG23 ILE 25 2.016 -1.168 -7.483 831 HD11 ILE 25 HD11 ILE 25 0.410 1.335 -5.165 832 HD12 ILE 25 HD12 ILE 25 -0.622 2.025 -6.420 833 HD13 ILE 25 HD13 ILE 25 0.220 3.083 -5.291 834 HA PRO 26 HA PRO 26 2.655 -2.459 -10.963 835 HB2 PRO 26 HB2 PRO 26 1.721 -1.948 -13.513 836 HB3 PRO 26 HB3 PRO 26 0.656 -2.249 -12.131 837 HG2 PRO 26 HG2 PRO 26 1.540 0.391 -13.301 838 HG3 PRO 26 HG3 PRO 26 -0.096 -0.130 -12.846 839 HD2 PRO 26 HD2 PRO 26 1.344 1.441 -11.204 840 HD3 PRO 26 HD3 PRO 26 0.314 0.150 -10.541 841 H GLU 27 H GLU 27 3.919 0.520 -12.405 842 HA GLU 27 HA GLU 27 5.767 -0.660 -14.282 843 HB2 GLU 27 HB2 GLU 27 5.808 2.108 -12.994 844 HB3 GLU 27 HB3 GLU 27 6.717 1.623 -14.429 845 HG2 GLU 27 HG2 GLU 27 4.542 1.272 -15.616 846 HG3 GLU 27 HG3 GLU 27 3.704 1.891 -14.190 847 H LEU 28 H LEU 28 6.011 0.859 -11.156 848 HA LEU 28 HA LEU 28 8.650 0.430 -10.395 849 HB2 LEU 28 HB2 LEU 28 7.086 1.952 -9.314 850 HB3 LEU 28 HB3 LEU 28 6.027 0.624 -8.880 851 HG LEU 28 HG LEU 28 7.742 -0.195 -7.281 852 HD11 LEU 28 HD11 LEU 28 9.622 1.236 -6.635 853 HD12 LEU 28 HD12 LEU 28 9.243 2.353 -7.949 854 HD13 LEU 28 HD13 LEU 28 9.772 0.707 -8.310 855 HD21 LEU 28 HD21 LEU 28 5.888 1.198 -6.543 856 HD22 LEU 28 HD22 LEU 28 6.815 2.660 -6.890 857 HD23 LEU 28 HD23 LEU 28 7.336 1.569 -5.606 858 H ALA 29 H ALA 29 5.783 -1.632 -10.000 859 HA ALA 29 HA ALA 29 6.785 -3.621 -8.298 860 HB1 ALA 29 HB1 ALA 29 4.582 -3.874 -10.374 861 HB2 ALA 29 HB2 ALA 29 4.391 -3.266 -8.729 862 HB3 ALA 29 HB3 ALA 29 4.839 -4.950 -8.994 863 H ARG 30 H ARG 30 6.704 -3.576 -11.871 864 HA ARG 30 HA ARG 30 7.709 -6.244 -12.212 865 HB2 ARG 30 HB2 ARG 30 7.728 -5.781 -14.586 866 HB3 ARG 30 HB3 ARG 30 6.276 -5.064 -13.900 867 HG2 ARG 30 HG2 ARG 30 7.461 -2.837 -13.901 868 HG3 ARG 30 HG3 ARG 30 8.802 -3.605 -14.751 869 HD2 ARG 30 HD2 ARG 30 5.952 -3.249 -15.742 870 HD3 ARG 30 HD3 ARG 30 7.403 -2.474 -16.377 871 HE ARG 30 HE ARG 30 6.443 -5.154 -16.913 872 HH11 ARG 30 HH11 ARG 30 9.222 -3.094 -17.135 873 HH12 ARG 30 HH12 ARG 30 9.924 -4.025 -18.407 874 HH21 ARG 30 HH21 ARG 30 7.384 -6.334 -18.500 875 HH22 ARG 30 HH22 ARG 30 8.898 -5.834 -19.168 876 H LYS 31 H LYS 31 9.234 -3.138 -11.786 877 HA LYS 31 HA LYS 31 11.893 -3.898 -12.632 878 HB2 LYS 31 HB2 LYS 31 10.857 -1.549 -10.989 879 HB3 LYS 31 HB3 LYS 31 12.538 -1.722 -11.490 880 HG2 LYS 31 HG2 LYS 31 11.887 -1.579 -13.841 881 HG3 LYS 31 HG3 LYS 31 10.180 -1.531 -13.394 882 HD2 LYS 31 HD2 LYS 31 11.046 0.716 -13.969 883 HD3 LYS 31 HD3 LYS 31 10.491 0.642 -12.296 884 HE2 LYS 31 HE2 LYS 31 12.612 1.904 -12.515 885 HE3 LYS 31 HE3 LYS 31 12.818 0.467 -11.516 886 HZ1 LYS 31 HZ1 LYS 31 13.794 -0.664 -13.415 887 HZ2 LYS 31 HZ2 LYS 31 14.641 0.751 -13.067 888 HZ3 LYS 31 HZ3 LYS 31 13.577 0.707 -14.377 889 H VAL 32 H VAL 32 10.211 -3.560 -9.482 890 HA VAL 32 HA VAL 32 12.537 -4.480 -7.965 891 HB VAL 32 HB VAL 32 11.247 -4.018 -5.953 892 HG11 VAL 32 HG11 VAL 32 10.818 -1.592 -6.280 893 HG12 VAL 32 HG12 VAL 32 10.892 -1.816 -8.027 894 HG13 VAL 32 HG13 VAL 32 12.327 -2.104 -7.038 895 HG21 VAL 32 HG21 VAL 32 8.842 -3.501 -7.759 896 HG22 VAL 32 HG22 VAL 32 8.896 -3.196 -6.020 897 HG23 VAL 32 HG23 VAL 32 9.025 -4.846 -6.631 898 H ASN 33 H ASN 33 10.343 -6.081 -9.738 899 HA ASN 33 HA ASN 33 9.902 -8.270 -10.079 900 HB2 ASN 33 HB2 ASN 33 12.402 -8.367 -9.407 901 HB3 ASN 33 HB3 ASN 33 11.858 -8.940 -7.838 902 HD21 ASN 33 HD21 ASN 33 12.082 -9.695 -11.245 903 HD22 ASN 33 HD22 ASN 33 11.840 -11.394 -11.082 904 H LEU 34 H LEU 34 8.499 -6.697 -7.823 905 HA LEU 34 HA LEU 34 7.277 -8.964 -6.335 906 HB2 LEU 34 HB2 LEU 34 7.191 -5.990 -5.668 907 HB3 LEU 34 HB3 LEU 34 6.507 -7.286 -4.696 908 HG LEU 34 HG LEU 34 9.484 -6.906 -5.238 909 HD11 LEU 34 HD11 LEU 34 8.612 -5.112 -3.823 910 HD12 LEU 34 HD12 LEU 34 9.673 -6.185 -2.915 911 HD13 LEU 34 HD13 LEU 34 7.921 -6.299 -2.710 912 HD21 LEU 34 HD21 LEU 34 9.828 -8.636 -3.521 913 HD22 LEU 34 HD22 LEU 34 8.906 -9.265 -4.883 914 HD23 LEU 34 HD23 LEU 34 8.081 -8.857 -3.376 915 H SER 35 H SER 35 4.933 -8.971 -6.099 916 HA SER 35 HA SER 35 3.376 -8.202 -8.358 917 HB2 SER 35 HB2 SER 35 2.693 -10.080 -6.922 918 HB3 SER 35 HB3 SER 35 2.464 -8.994 -5.551 919 HG SER 35 HG SER 35 0.485 -9.462 -6.586 920 H VAL 36 H VAL 36 1.652 -6.638 -8.489 921 HA VAL 36 HA VAL 36 2.292 -4.020 -7.788 922 HB VAL 36 HB VAL 36 -0.482 -5.109 -8.434 923 HG11 VAL 36 HG11 VAL 36 -1.024 -2.814 -9.226 924 HG12 VAL 36 HG12 VAL 36 0.542 -2.247 -8.643 925 HG13 VAL 36 HG13 VAL 36 -0.663 -2.842 -7.497 926 HG21 VAL 36 HG21 VAL 36 0.026 -4.494 -10.780 927 HG22 VAL 36 HG22 VAL 36 1.153 -5.706 -10.168 928 HG23 VAL 36 HG23 VAL 36 1.659 -4.020 -10.299 929 H GLU 37 H GLU 37 -0.025 -6.198 -6.175 930 HA GLU 37 HA GLU 37 -0.892 -4.516 -4.084 931 HB2 GLU 37 HB2 GLU 37 -0.574 -7.543 -4.005 932 HB3 GLU 37 HB3 GLU 37 -1.567 -6.583 -2.911 933 HG2 GLU 37 HG2 GLU 37 -2.983 -5.905 -4.829 934 HG3 GLU 37 HG3 GLU 37 -2.004 -6.915 -5.892 935 H SER 38 H SER 38 1.771 -6.924 -4.075 936 HA SER 38 HA SER 38 2.690 -6.543 -1.430 937 HB2 SER 38 HB2 SER 38 4.171 -7.548 -3.891 938 HB3 SER 38 HB3 SER 38 4.836 -7.614 -2.259 939 HG SER 38 HG SER 38 3.783 -9.569 -2.931 940 H THR 39 H THR 39 3.339 -4.773 -4.361 941 HA THR 39 HA THR 39 5.626 -3.296 -3.413 942 HB THR 39 HB THR 39 3.863 -2.871 -5.870 943 HG1 THR 39 HG1 THR 39 4.941 -4.593 -6.479 944 HG21 THR 39 HG21 THR 39 5.733 -1.542 -6.783 945 HG22 THR 39 HG22 THR 39 6.598 -1.690 -5.252 946 HG23 THR 39 HG23 THR 39 5.082 -0.789 -5.323 947 H ALA 40 H ALA 40 2.153 -2.480 -3.978 948 HA ALA 40 HA ALA 40 2.229 0.230 -3.101 949 HB1 ALA 40 HB1 ALA 40 -0.119 -1.704 -3.107 950 HB2 ALA 40 HB2 ALA 40 0.392 -0.702 -4.465 951 HB3 ALA 40 HB3 ALA 40 -0.232 0.057 -3.000 952 H LEU 41 H LEU 41 1.511 -2.774 -1.412 953 HA LEU 41 HA LEU 41 0.904 -1.826 1.170 954 HB2 LEU 41 HB2 LEU 41 0.284 -4.034 0.465 955 HB3 LEU 41 HB3 LEU 41 1.917 -4.451 0.029 956 HG LEU 41 HG LEU 41 0.847 -5.611 2.064 957 HD11 LEU 41 HD11 LEU 41 3.188 -5.843 1.504 958 HD12 LEU 41 HD12 LEU 41 2.952 -5.801 3.248 959 HD13 LEU 41 HD13 LEU 41 3.582 -4.379 2.411 960 HD21 LEU 41 HD21 LEU 41 1.014 -4.503 4.233 961 HD22 LEU 41 HD22 LEU 41 -0.103 -3.653 3.169 962 HD23 LEU 41 HD23 LEU 41 1.514 -3.000 3.452 963 H ALA 42 H ALA 42 4.009 -2.643 -0.367 964 HA ALA 42 HA ALA 42 5.680 -2.159 1.917 965 HB1 ALA 42 HB1 ALA 42 6.419 -2.206 -1.030 966 HB2 ALA 42 HB2 ALA 42 6.385 -3.602 0.051 967 HB3 ALA 42 HB3 ALA 42 7.546 -2.303 0.329 968 H VAL 43 H VAL 43 4.551 -0.123 -0.770 969 HA VAL 43 HA VAL 43 6.044 2.215 -0.291 970 HB VAL 43 HB VAL 43 3.314 1.768 -1.564 971 HG11 VAL 43 HG11 VAL 43 3.372 4.084 -2.447 972 HG12 VAL 43 HG12 VAL 43 4.786 4.426 -1.448 973 HG13 VAL 43 HG13 VAL 43 3.237 4.057 -0.687 974 HG21 VAL 43 HG21 VAL 43 6.005 2.495 -2.794 975 HG22 VAL 43 HG22 VAL 43 4.501 2.235 -3.684 976 HG23 VAL 43 HG23 VAL 43 5.255 0.897 -2.819 977 H GLY 44 H GLY 44 3.008 1.074 1.179 978 HA2 GLY 44 HA2 GLY 44 2.342 3.280 2.785 979 HA3 GLY 44 HA3 GLY 44 1.974 1.605 3.170 980 H TRP 45 H TRP 45 4.765 0.760 3.331 981 HA TRP 45 HA TRP 45 5.428 1.515 6.032 982 HB2 TRP 45 HB2 TRP 45 5.795 -0.786 5.134 983 HB3 TRP 45 HB3 TRP 45 7.034 -0.156 4.053 984 HD1 TRP 45 HD1 TRP 45 9.469 0.056 5.051 985 HE1 TRP 45 HE1 TRP 45 10.514 -0.440 7.339 986 HE3 TRP 45 HE3 TRP 45 5.191 -0.614 7.792 987 HZ2 TRP 45 HZ2 TRP 45 9.665 -1.017 9.967 988 HZ3 TRP 45 HZ3 TRP 45 5.398 -1.129 10.191 989 HH2 TRP 45 HH2 TRP 45 7.590 -1.326 11.257 990 H LEU 46 H LEU 46 6.780 2.286 2.808 991 HA LEU 46 HA LEU 46 8.972 3.892 3.679 992 HB2 LEU 46 HB2 LEU 46 7.396 3.852 1.081 993 HB3 LEU 46 HB3 LEU 46 8.784 4.902 1.316 994 HG LEU 46 HG LEU 46 8.860 1.857 1.410 995 HD11 LEU 46 HD11 LEU 46 10.051 1.959 -0.719 996 HD12 LEU 46 HD12 LEU 46 9.887 3.715 -0.763 997 HD13 LEU 46 HD13 LEU 46 8.451 2.688 -0.875 998 HD21 LEU 46 HD21 LEU 46 11.307 2.114 1.458 999 HD22 LEU 46 HD22 LEU 46 10.553 2.850 2.868 1000 HD23 LEU 46 HD23 LEU 46 11.130 3.870 1.547 1001 H ALA 47 H ALA 47 5.588 4.672 2.952 1002 HA ALA 47 HA ALA 47 5.530 7.421 3.381 1003 HB1 ALA 47 HB1 ALA 47 3.368 5.398 4.065 1004 HB2 ALA 47 HB2 ALA 47 3.625 6.138 2.484 1005 HB3 ALA 47 HB3 ALA 47 3.126 7.136 3.852 1006 H ARG 48 H ARG 48 5.423 4.793 5.802 1007 HA ARG 48 HA ARG 48 5.057 6.253 8.181 1008 HB2 ARG 48 HB2 ARG 48 5.100 3.797 8.211 1009 HB3 ARG 48 HB3 ARG 48 6.783 3.781 7.693 1010 HG2 ARG 48 HG2 ARG 48 7.381 4.936 9.866 1011 HG3 ARG 48 HG3 ARG 48 5.701 4.741 10.363 1012 HD2 ARG 48 HD2 ARG 48 5.952 2.281 10.239 1013 HD3 ARG 48 HD3 ARG 48 7.628 2.481 9.720 1014 HE ARG 48 HE ARG 48 8.208 3.240 11.879 1015 HH11 ARG 48 HH11 ARG 48 4.855 2.358 11.772 1016 HH12 ARG 48 HH12 ARG 48 4.732 2.218 13.486 1017 HH21 ARG 48 HH21 ARG 48 7.994 3.087 14.074 1018 HH22 ARG 48 HH22 ARG 48 6.475 2.631 14.764 1019 H GLU 49 H GLU 49 7.991 5.542 6.356 1020 HA GLU 49 HA GLU 49 9.807 6.862 8.180 1021 HB2 GLU 49 HB2 GLU 49 10.330 5.765 5.386 1022 HB3 GLU 49 HB3 GLU 49 11.540 6.125 6.617 1023 HG2 GLU 49 HG2 GLU 49 10.660 4.315 8.029 1024 HG3 GLU 49 HG3 GLU 49 9.410 3.972 6.831 1025 H ASN 50 H ASN 50 7.847 7.906 5.582 1026 HA ASN 50 HA ASN 50 7.577 9.790 4.364 1027 HB2 ASN 50 HB2 ASN 50 7.847 10.892 6.619 1028 HB3 ASN 50 HB3 ASN 50 9.560 11.098 6.284 1029 HD21 ASN 50 HD21 ASN 50 9.370 13.355 6.490 1030 HD22 ASN 50 HD22 ASN 50 8.619 14.321 5.275 1031 H LYS 51 H LYS 51 9.689 7.843 3.741 1032 HA LYS 51 HA LYS 51 11.794 9.290 2.366 1033 HB2 LYS 51 HB2 LYS 51 11.095 6.333 2.439 1034 HB3 LYS 51 HB3 LYS 51 12.481 6.995 1.573 1035 HG2 LYS 51 HG2 LYS 51 13.342 7.899 3.751 1036 HG3 LYS 51 HG3 LYS 51 12.005 7.089 4.571 1037 HD2 LYS 51 HD2 LYS 51 14.042 5.746 4.743 1038 HD3 LYS 51 HD3 LYS 51 12.847 4.896 3.759 1039 HE2 LYS 51 HE2 LYS 51 14.018 5.593 1.707 1040 HE3 LYS 51 HE3 LYS 51 15.181 6.517 2.661 1041 HZ1 LYS 51 HZ1 LYS 51 15.926 4.471 3.674 1042 HZ2 LYS 51 HZ2 LYS 51 16.065 4.384 1.993 1043 HZ3 LYS 51 HZ3 LYS 51 14.801 3.578 2.784 1044 H VAL 52 H VAL 52 8.617 8.217 1.590 1045 HA VAL 52 HA VAL 52 9.054 8.858 -1.279 1046 HB VAL 52 HB VAL 52 6.972 7.588 -1.825 1047 HG11 VAL 52 HG11 VAL 52 9.129 5.916 -0.487 1048 HG12 VAL 52 HG12 VAL 52 9.163 6.532 -2.139 1049 HG13 VAL 52 HG13 VAL 52 7.959 5.332 -1.674 1050 HG21 VAL 52 HG21 VAL 52 5.841 7.643 0.373 1051 HG22 VAL 52 HG22 VAL 52 7.082 6.590 1.054 1052 HG23 VAL 52 HG23 VAL 52 6.002 5.981 -0.204 1053 H VAL 53 H VAL 53 7.842 10.405 -2.186 1054 HA VAL 53 HA VAL 53 5.906 11.912 -0.533 1055 HB VAL 53 HB VAL 53 7.288 12.795 -3.112 1056 HG11 VAL 53 HG11 VAL 53 5.588 14.404 -1.153 1057 HG12 VAL 53 HG12 VAL 53 5.117 13.930 -2.787 1058 HG13 VAL 53 HG13 VAL 53 6.444 15.069 -2.546 1059 HG21 VAL 53 HG21 VAL 53 8.710 14.237 -1.673 1060 HG22 VAL 53 HG22 VAL 53 8.946 12.527 -1.311 1061 HG23 VAL 53 HG23 VAL 53 7.972 13.529 -0.233 1062 H ILE 54 H ILE 54 4.038 10.806 -0.831 1063 HA ILE 54 HA ILE 54 3.250 9.695 -3.382 1064 HB ILE 54 HB ILE 54 1.755 9.783 -0.722 1065 HG12 ILE 54 HG12 ILE 54 3.484 7.583 -1.948 1066 HG13 ILE 54 HG13 ILE 54 3.934 8.585 -0.574 1067 HG21 ILE 54 HG21 ILE 54 1.203 8.094 -3.192 1068 HG22 ILE 54 HG22 ILE 54 0.205 9.426 -2.604 1069 HG23 ILE 54 HG23 ILE 54 0.365 7.954 -1.645 1070 HD11 ILE 54 HD11 ILE 54 2.119 7.567 0.728 1071 HD12 ILE 54 HD12 ILE 54 3.278 6.383 0.128 1072 HD13 ILE 54 HD13 ILE 54 1.711 6.553 -0.659 1073 H GLU 55 H GLU 55 2.020 10.685 -4.842 1074 HA GLU 55 HA GLU 55 0.402 13.039 -4.163 1075 HB2 GLU 55 HB2 GLU 55 2.866 13.632 -4.762 1076 HB3 GLU 55 HB3 GLU 55 2.444 13.196 -6.416 1077 HG2 GLU 55 HG2 GLU 55 0.929 14.991 -6.626 1078 HG3 GLU 55 HG3 GLU 55 0.821 15.216 -4.881 1079 H ARG 56 H ARG 56 -1.447 13.021 -5.236 1080 HA ARG 56 HA ARG 56 -2.004 11.018 -7.262 1081 HB2 ARG 56 HB2 ARG 56 -3.579 11.414 -5.383 1082 HB3 ARG 56 HB3 ARG 56 -3.814 13.074 -5.918 1083 HG2 ARG 56 HG2 ARG 56 -4.890 12.297 -7.975 1084 HG3 ARG 56 HG3 ARG 56 -4.562 10.613 -7.535 1085 HD2 ARG 56 HD2 ARG 56 -6.264 12.478 -5.831 1086 HD3 ARG 56 HD3 ARG 56 -6.938 11.430 -7.084 1087 HE ARG 56 HE ARG 56 -5.867 9.553 -5.773 1088 HH11 ARG 56 HH11 ARG 56 -7.002 12.404 -4.139 1089 HH12 ARG 56 HH12 ARG 56 -7.329 11.534 -2.681 1090 HH21 ARG 56 HH21 ARG 56 -6.288 8.507 -3.900 1091 HH22 ARG 56 HH22 ARG 56 -6.931 9.370 -2.550 1092 H LYS 57 H LYS 57 -1.263 11.525 -9.244 1093 HA LYS 57 HA LYS 57 -1.608 14.234 -10.391 1094 HB2 LYS 57 HB2 LYS 57 0.263 11.938 -11.117 1095 HB3 LYS 57 HB3 LYS 57 0.094 13.391 -12.098 1096 HG2 LYS 57 HG2 LYS 57 1.109 13.263 -9.238 1097 HG3 LYS 57 HG3 LYS 57 2.088 13.470 -10.693 1098 HD2 LYS 57 HD2 LYS 57 0.284 15.568 -10.939 1099 HD3 LYS 57 HD3 LYS 57 0.465 15.466 -9.185 1100 HE2 LYS 57 HE2 LYS 57 2.682 15.848 -11.232 1101 HE3 LYS 57 HE3 LYS 57 2.069 17.058 -10.107 1102 HZ1 LYS 57 HZ1 LYS 57 2.882 15.675 -8.281 1103 HZ2 LYS 57 HZ2 LYS 57 4.130 16.139 -9.313 1104 HZ3 LYS 57 HZ3 LYS 57 3.513 14.572 -9.383 1105 H ASN 58 H ASN 58 -3.183 14.503 -11.847 1106 HA ASN 58 HA ASN 58 -4.804 14.246 -13.414 1107 HB2 ASN 58 HB2 ASN 58 -3.053 11.960 -14.419 1108 HB3 ASN 58 HB3 ASN 58 -4.323 12.762 -15.338 1109 HD21 ASN 58 HD21 ASN 58 -1.101 13.082 -14.046 1110 HD22 ASN 58 HD22 ASN 58 -0.659 14.483 -14.950 1111 H GLY 59 H GLY 59 -5.231 12.875 -10.935 1112 HA2 GLY 59 HA2 GLY 59 -6.988 11.595 -10.065 1113 HA3 GLY 59 HA3 GLY 59 -7.281 10.909 -11.652 1114 H LEU 60 H LEU 60 -4.362 10.171 -11.913 1115 HA LEU 60 HA LEU 60 -4.429 7.585 -10.565 1116 HB2 LEU 60 HB2 LEU 60 -2.371 8.830 -12.449 1117 HB3 LEU 60 HB3 LEU 60 -2.238 7.215 -11.779 1118 HG LEU 60 HG LEU 60 -4.430 6.651 -12.972 1119 HD11 LEU 60 HD11 LEU 60 -5.282 8.902 -13.374 1120 HD12 LEU 60 HD12 LEU 60 -5.107 8.019 -14.888 1121 HD13 LEU 60 HD13 LEU 60 -3.920 9.248 -14.444 1122 HD21 LEU 60 HD21 LEU 60 -2.264 5.870 -13.797 1123 HD22 LEU 60 HD22 LEU 60 -2.049 7.368 -14.706 1124 HD23 LEU 60 HD23 LEU 60 -3.346 6.250 -15.138 1125 H ILE 61 H ILE 61 -2.321 6.851 -9.400 1126 HA ILE 61 HA ILE 61 -1.346 9.060 -7.654 1127 HB ILE 61 HB ILE 61 -1.693 6.181 -6.712 1128 HG12 ILE 61 HG12 ILE 61 -3.707 8.445 -6.298 1129 HG13 ILE 61 HG13 ILE 61 -3.931 7.109 -7.424 1130 HG21 ILE 61 HG21 ILE 61 -0.149 7.607 -5.399 1131 HG22 ILE 61 HG22 ILE 61 -1.579 7.177 -4.458 1132 HG23 ILE 61 HG23 ILE 61 -1.443 8.789 -5.168 1133 HD11 ILE 61 HD11 ILE 61 -5.183 6.752 -5.397 1134 HD12 ILE 61 HD12 ILE 61 -3.722 6.885 -4.422 1135 HD13 ILE 61 HD13 ILE 61 -3.918 5.534 -5.544 1136 H GLU 62 H GLU 62 0.810 9.165 -7.263 1137 HA GLU 62 HA GLU 62 2.642 7.020 -8.150 1138 HB2 GLU 62 HB2 GLU 62 2.964 9.986 -8.806 1139 HB3 GLU 62 HB3 GLU 62 4.186 8.749 -9.098 1140 HG2 GLU 62 HG2 GLU 62 2.675 7.633 -10.690 1141 HG3 GLU 62 HG3 GLU 62 1.456 8.881 -10.409 1142 H ILE 63 H ILE 63 4.852 7.336 -7.290 1143 HA ILE 63 HA ILE 63 5.030 8.915 -4.791 1144 HB ILE 63 HB ILE 63 6.599 7.304 -3.840 1145 HG12 ILE 63 HG12 ILE 63 7.601 6.448 -5.999 1146 HG13 ILE 63 HG13 ILE 63 7.237 5.188 -4.834 1147 HG21 ILE 63 HG21 ILE 63 4.062 5.930 -4.776 1148 HG22 ILE 63 HG22 ILE 63 4.237 6.968 -3.360 1149 HG23 ILE 63 HG23 ILE 63 5.071 5.417 -3.419 1150 HD11 ILE 63 HD11 ILE 63 6.723 4.508 -7.096 1151 HD12 ILE 63 HD12 ILE 63 5.610 5.863 -7.281 1152 HD13 ILE 63 HD13 ILE 63 5.254 4.576 -6.124 1153 H TYR 64 H TYR 64 6.899 9.991 -4.388 1154 HA TYR 64 HA TYR 64 8.932 10.276 -6.532 1155 HB2 TYR 64 HB2 TYR 64 7.747 12.499 -4.796 1156 HB3 TYR 64 HB3 TYR 64 9.048 12.713 -5.964 1157 HD1 TYR 64 HD1 TYR 64 8.563 12.338 -8.428 1158 HD2 TYR 64 HD2 TYR 64 5.418 12.536 -5.536 1159 HE1 TYR 64 HE1 TYR 64 6.930 12.699 -10.223 1160 HE2 TYR 64 HE2 TYR 64 3.791 12.883 -7.345 1161 HH TYR 64 HH TYR 64 4.353 12.232 -10.491 1162 H ASN 65 H ASN 65 10.993 11.352 -5.648 1163 HA ASN 65 HA ASN 65 11.998 9.778 -3.476 1164 HB2 ASN 65 HB2 ASN 65 13.240 12.020 -5.127 1165 HB3 ASN 65 HB3 ASN 65 14.118 11.189 -3.847 1166 HD21 ASN 65 HD21 ASN 65 15.660 10.351 -5.289 1167 HD22 ASN 65 HD22 ASN 65 15.277 9.111 -6.427 1168 H GLU 66 H GLU 66 12.632 10.357 -1.439 1169 HA GLU 66 HA GLU 66 11.496 12.269 0.131 1170 HB2 GLU 66 HB2 GLU 66 12.839 10.340 0.930 1171 HB3 GLU 66 HB3 GLU 66 14.314 11.124 0.375 1172 HG2 GLU 66 HG2 GLU 66 14.053 12.891 2.025 1173 HG3 GLU 66 HG3 GLU 66 12.483 12.247 2.518 1174 H GLY 67 H GLY 67 11.388 14.369 -0.346 1175 HA2 GLY 67 HA2 GLY 67 13.131 16.363 -0.027 1176 HA3 GLY 67 HA3 GLY 67 13.565 15.834 -1.654 1177 H HIS 68 H HIS 68 10.797 15.074 -2.307 1178 HA HIS 68 HA HIS 68 9.951 17.613 -3.400 1179 HB2 HIS 68 HB2 HIS 68 8.653 14.861 -3.601 1180 HB3 HIS 68 HB3 HIS 68 8.172 16.271 -4.532 1181 HD1 HIS 68 HD1 HIS 68 8.776 15.616 -6.845 1182 HD2 HIS 68 HD2 HIS 68 11.872 14.839 -4.186 1183 HE1 HIS 68 HE1 HIS 68 10.670 14.775 -8.251 1184 HE2 HIS 68 HE2 HIS 68 12.593 14.563 -6.655 1185 H PHE 69 H PHE 69 9.301 16.124 -0.443 1186 HA PHE 69 HA PHE 69 6.554 16.967 -0.073 1187 HB2 PHE 69 HB2 PHE 69 6.780 16.135 2.232 1188 HB3 PHE 69 HB3 PHE 69 7.387 14.949 1.088 1189 HD1 PHE 69 HD1 PHE 69 9.976 14.807 0.767 1190 HD2 PHE 69 HD2 PHE 69 8.131 16.823 4.058 1191 HE1 PHE 69 HE1 PHE 69 12.067 14.651 2.053 1192 HE2 PHE 69 HE2 PHE 69 10.229 16.665 5.324 1193 HZ PHE 69 HZ PHE 69 12.194 15.579 4.327 1194 H ASP 70 H ASP 70 6.361 18.222 2.362 1195 HA ASP 70 HA ASP 70 5.925 20.368 2.967 1196 HB2 ASP 70 HB2 ASP 70 8.882 20.681 2.299 1197 HB3 ASP 70 HB3 ASP 70 7.931 21.991 2.985 1198 H PHE 71 H PHE 71 5.385 19.569 0.245 1199 HA PHE 71 HA PHE 71 5.935 21.699 -1.603 1200 HB2 PHE 71 HB2 PHE 71 5.627 19.288 -2.244 1201 HB3 PHE 71 HB3 PHE 71 3.933 19.394 -1.783 1202 HD1 PHE 71 HD2 PHE 71 6.462 20.838 -4.145 1203 HD2 PHE 71 HD1 PHE 71 2.318 20.075 -3.402 1204 HE1 PHE 71 HE2 PHE 71 5.911 21.579 -6.422 1205 HE2 PHE 71 HE1 PHE 71 1.778 20.824 -5.683 1206 HZ PHE 71 HZ PHE 71 3.572 21.580 -7.194 1207 H SER 72 H SER 72 4.181 22.958 -2.695 1208 HA SER 72 HA SER 72 2.604 24.483 -0.925 1209 HB2 SER 72 HB2 SER 72 3.399 25.392 -3.072 1210 HB3 SER 72 HB3 SER 72 2.391 24.248 -3.954 1211 HG SER 72 HG SER 72 0.765 25.538 -3.708 1212 H PHE 73 H PHE 73 0.422 24.496 -0.440 1213 HA PHE 73 HA PHE 73 -1.025 21.967 -0.964 1214 HB2 PHE 73 HB2 PHE 73 -0.387 22.471 1.409 1215 HB3 PHE 73 HB3 PHE 73 -1.368 23.930 1.351 1216 HD1 PHE 73 HD1 PHE 73 -1.606 20.206 0.938 1217 HD2 PHE 73 HD2 PHE 73 -3.656 23.809 2.006 1218 HE1 PHE 73 HE1 PHE 73 -3.548 18.889 1.668 1219 HE2 PHE 73 HE2 PHE 73 -5.596 22.479 2.729 1220 HZ PHE 73 HZ PHE 73 -5.545 20.023 2.564 1221 H GLY 74 H GLY 74 -2.497 22.199 -2.546 1222 HA2 GLY 74 HA2 GLY 74 -4.217 24.618 -2.719 1223 HA3 GLY 74 HA3 GLY 74 -3.964 23.436 -3.998 1224 H LEU 75 H LEU 75 -5.660 24.100 -0.983 1225 HA LEU 75 HA LEU 75 -6.956 21.593 -0.633 1226 HB2 LEU 75 HB2 LEU 75 -6.703 23.576 1.036 1227 HB3 LEU 75 HB3 LEU 75 -8.133 24.244 0.279 1228 HG LEU 75 HG LEU 75 -8.025 21.554 1.732 1229 HD11 LEU 75 HD11 LEU 75 -9.121 24.204 2.723 1230 HD12 LEU 75 HD12 LEU 75 -7.673 23.377 3.306 1231 HD13 LEU 75 HD13 LEU 75 -9.258 22.651 3.556 1232 HD21 LEU 75 HD21 LEU 75 -9.826 21.549 0.066 1233 HD22 LEU 75 HD22 LEU 75 -10.462 23.064 0.706 1234 HD23 LEU 75 HD23 LEU 75 -10.498 21.602 1.695 1235 H GLU 76 H GLU 76 -7.971 20.796 -2.422 1236 HA GLU 76 HA GLU 76 -10.535 21.928 -3.135 1237 HB2 GLU 76 HB2 GLU 76 -9.069 23.134 -4.727 1238 HB3 GLU 76 HB3 GLU 76 -8.400 21.609 -5.290 1239 HG2 GLU 76 HG2 GLU 76 -10.013 22.453 -6.906 1240 HG3 GLU 76 HG3 GLU 76 -10.613 20.963 -6.184 1241 H HIS 77 H HIS 77 -11.935 20.411 -3.615 1242 HA HIS 77 HA HIS 77 -11.467 18.035 -5.087 1243 HB2 HIS 77 HB2 HIS 77 -12.220 16.392 -3.317 1244 HB3 HIS 77 HB3 HIS 77 -10.624 17.063 -3.016 1245 HD1 HIS 77 HD1 HIS 77 -10.472 18.875 -1.074 1246 HD2 HIS 77 HD2 HIS 77 -14.058 16.785 -1.276 1247 HE1 HIS 77 HE1 HIS 77 -11.585 19.242 1.144 1248 HE2 HIS 77 HE2 HIS 77 -13.814 18.101 0.935 1249 H HIS 78 H HIS 78 -13.443 17.443 -6.037 1250 HA HIS 78 HA HIS 78 -15.340 19.593 -5.976 1251 HB2 HIS 78 HB2 HIS 78 -14.507 18.271 -8.044 1252 HB3 HIS 78 HB3 HIS 78 -15.690 17.047 -7.594 1253 HD1 HIS 78 HD1 HIS 78 -17.616 17.322 -9.181 1254 HD2 HIS 78 HD2 HIS 78 -16.154 20.998 -7.901 1255 HE1 HIS 78 HE1 HIS 78 -19.113 19.043 -10.224 1256 HE2 HIS 78 HE2 HIS 78 -18.335 21.235 -9.275 1257 H HIS 79 H HIS 79 -15.226 16.786 -4.128 1258 HA HIS 79 HA HIS 79 -16.608 15.688 -2.736 1259 HB2 HIS 79 HB2 HIS 79 -17.844 17.215 -1.137 1260 HB3 HIS 79 HB3 HIS 79 -16.149 17.592 -1.384 1261 HD1 HIS 79 HD1 HIS 79 -15.563 19.870 -2.329 1262 HD2 HIS 79 HD2 HIS 79 -19.660 19.180 -2.209 1263 HE1 HIS 79 HE1 HIS 79 -16.630 22.075 -2.826 1264 HE2 HIS 79 HE2 HIS 79 -19.089 21.680 -2.560 1265 H HIS 80 H HIS 80 -17.968 14.266 -3.659 1266 HA HIS 80 HA HIS 80 -20.502 15.071 -4.872 1267 HB2 HIS 80 HB2 HIS 80 -19.310 12.307 -4.376 1268 HB3 HIS 80 HB3 HIS 80 -20.792 12.619 -5.277 1269 HD1 HIS 80 HD1 HIS 80 -20.567 13.486 -7.676 1270 HD2 HIS 80 HD2 HIS 80 -16.916 13.075 -5.738 1271 HE1 HIS 80 HE1 HIS 80 -18.829 13.769 -9.456 1272 HE2 HIS 80 HE2 HIS 80 -16.647 13.332 -8.296 1273 H HIS 81 H HIS 81 -21.925 15.808 -3.411 1274 HA HIS 81 HA HIS 81 -22.919 14.107 -1.245 1275 HB2 HIS 81 HB2 HIS 81 -21.132 15.391 -0.143 1276 HB3 HIS 81 HB3 HIS 81 -21.770 16.900 -0.778 1277 HD1 HIS 81 HD1 HIS 81 -22.854 14.103 1.583 1278 HD2 HIS 81 HD2 HIS 81 -23.436 18.176 0.980 1279 HE1 HIS 81 HE1 HIS 81 -24.271 14.873 3.506 1280 HE2 HIS 81 HE2 HIS 81 -24.525 17.352 3.178 1281 H HIS 82 H HIS 82 -25.103 14.441 -0.803 1282 HA HIS 82 HA HIS 82 -26.710 15.961 -2.636 1283 HB2 HIS 82 HB2 HIS 82 -27.431 14.508 -0.058 1284 HB3 HIS 82 HB3 HIS 82 -28.622 15.250 -1.117 1285 HD1 HIS 82 HD1 HIS 82 -29.188 14.038 -3.313 1286 HD2 HIS 82 HD2 HIS 82 -26.344 12.068 -1.008 1287 HE1 HIS 82 HE1 HIS 82 -29.020 11.731 -4.282 1288 HE2 HIS 82 HE2 HIS 82 -27.194 10.614 -2.975 Start of MODEL 18 1 H1 MET 1 H1 MET 1 2.029 16.191 2.763 2 H2 MET 1 H2 MET 1 2.218 17.282 1.485 3 H3 MET 1 H3 MET 1 2.002 15.633 1.165 4 HA MET 1 HA MET 1 0.022 17.425 2.460 5 HB2 MET 1 HB2 MET 1 -1.278 17.242 0.338 6 HB3 MET 1 HB3 MET 1 0.270 18.037 0.115 7 HG2 MET 1 HG2 MET 1 1.213 16.061 -0.910 8 HG3 MET 1 HG3 MET 1 -0.236 15.124 -0.544 9 HE1 MET 1 HE1 MET 1 -2.575 15.484 -1.734 10 HE2 MET 1 HE2 MET 1 -2.875 16.702 -2.974 11 HE3 MET 1 HE3 MET 1 -2.597 17.196 -1.304 12 H ASP 2 H ASP 2 0.883 14.156 1.454 13 HA ASP 2 HA ASP 2 -1.676 12.946 1.694 14 HB2 ASP 2 HB2 ASP 2 1.134 11.779 1.649 15 HB3 ASP 2 HB3 ASP 2 -0.310 10.772 1.693 16 H LYS 3 H LYS 3 0.819 13.557 4.103 17 HA LYS 3 HA LYS 3 0.676 11.290 5.684 18 HB2 LYS 3 HB2 LYS 3 2.351 13.249 5.683 19 HB3 LYS 3 HB3 LYS 3 1.270 14.042 6.817 20 HG2 LYS 3 HG2 LYS 3 1.684 12.402 8.518 21 HG3 LYS 3 HG3 LYS 3 2.428 11.288 7.362 22 HD2 LYS 3 HD2 LYS 3 4.298 12.928 7.035 23 HD3 LYS 3 HD3 LYS 3 3.572 13.967 8.264 24 HE2 LYS 3 HE2 LYS 3 4.505 11.121 8.794 25 HE3 LYS 3 HE3 LYS 3 5.497 12.552 9.071 26 HZ1 LYS 3 HZ1 LYS 3 3.789 13.348 10.621 27 HZ2 LYS 3 HZ2 LYS 3 4.461 11.877 11.101 28 HZ3 LYS 3 HZ3 LYS 3 2.924 11.911 10.405 29 H LYS 4 H LYS 4 -1.489 14.091 5.878 30 HA LYS 4 HA LYS 4 -3.011 12.947 8.118 31 HB2 LYS 4 HB2 LYS 4 -3.022 15.615 6.726 32 HB3 LYS 4 HB3 LYS 4 -4.504 15.107 7.517 33 HG2 LYS 4 HG2 LYS 4 -3.199 16.533 8.998 34 HG3 LYS 4 HG3 LYS 4 -3.335 14.907 9.666 35 HD2 LYS 4 HD2 LYS 4 -1.018 14.412 8.878 36 HD3 LYS 4 HD3 LYS 4 -0.888 16.058 8.250 37 HE2 LYS 4 HE2 LYS 4 0.226 15.877 10.432 38 HE3 LYS 4 HE3 LYS 4 -1.173 16.943 10.557 39 HZ1 LYS 4 HZ1 LYS 4 -1.128 14.083 11.366 40 HZ2 LYS 4 HZ2 LYS 4 -2.428 15.146 11.546 41 HZ3 LYS 4 HZ3 LYS 4 -1.005 15.394 12.420 42 H ILE 5 H ILE 5 -3.505 13.620 4.635 43 HA ILE 5 HA ILE 5 -6.204 12.958 4.306 44 HB ILE 5 HB ILE 5 -3.913 12.434 2.346 45 HG12 ILE 5 HG12 ILE 5 -5.766 14.856 2.558 46 HG13 ILE 5 HG13 ILE 5 -4.078 14.818 3.059 47 HG21 ILE 5 HG21 ILE 5 -5.909 11.153 1.663 48 HG22 ILE 5 HG22 ILE 5 -5.597 12.466 0.530 49 HG23 ILE 5 HG23 ILE 5 -6.889 12.620 1.722 50 HD11 ILE 5 HD11 ILE 5 -3.402 14.453 0.722 51 HD12 ILE 5 HD12 ILE 5 -4.334 15.935 0.920 52 HD13 ILE 5 HD13 ILE 5 -5.098 14.506 0.230 53 H VAL 6 H VAL 6 -3.398 10.833 4.098 54 HA VAL 6 HA VAL 6 -4.606 8.382 3.512 55 HB VAL 6 HB VAL 6 -2.484 7.340 4.214 56 HG11 VAL 6 HG11 VAL 6 -0.942 8.594 2.753 57 HG12 VAL 6 HG12 VAL 6 -2.029 9.984 2.780 58 HG13 VAL 6 HG13 VAL 6 -2.549 8.471 2.033 59 HG21 VAL 6 HG21 VAL 6 -2.067 8.597 6.307 60 HG22 VAL 6 HG22 VAL 6 -1.737 10.063 5.381 61 HG23 VAL 6 HG23 VAL 6 -0.656 8.672 5.248 62 H GLY 7 H GLY 7 -4.182 10.044 6.585 63 HA2 GLY 7 HA2 GLY 7 -4.737 7.861 8.350 64 HA3 GLY 7 HA3 GLY 7 -4.837 9.572 8.744 65 H ALA 8 H ALA 8 -6.774 10.442 6.966 66 HA ALA 8 HA ALA 8 -9.257 9.674 8.096 67 HB1 ALA 8 HB1 ALA 8 -8.730 11.106 5.464 68 HB2 ALA 8 HB2 ALA 8 -8.867 11.875 7.045 69 HB3 ALA 8 HB3 ALA 8 -10.270 11.074 6.336 70 H ASN 9 H ASN 9 -7.700 8.783 5.015 71 HA ASN 9 HA ASN 9 -9.718 7.038 4.019 72 HB2 ASN 9 HB2 ASN 9 -6.731 7.105 3.402 73 HB3 ASN 9 HB3 ASN 9 -7.938 6.238 2.454 74 HD21 ASN 9 HD21 ASN 9 -6.123 8.380 1.643 75 HD22 ASN 9 HD22 ASN 9 -7.122 9.646 1.029 76 H ALA 10 H ALA 10 -6.975 6.539 6.190 77 HA ALA 10 HA ALA 10 -6.901 3.671 6.063 78 HB1 ALA 10 HB1 ALA 10 -5.331 3.844 7.958 79 HB2 ALA 10 HB2 ALA 10 -5.721 5.558 8.136 80 HB3 ALA 10 HB3 ALA 10 -4.916 4.980 6.677 81 H GLY 11 H GLY 11 -8.422 6.045 8.214 82 HA2 GLY 11 HA2 GLY 11 -9.462 4.313 10.195 83 HA3 GLY 11 HA3 GLY 11 -10.141 5.871 9.740 84 H LYS 12 H LYS 12 -10.711 5.263 7.026 85 HA LYS 12 HA LYS 12 -13.241 3.969 7.141 86 HB2 LYS 12 HB2 LYS 12 -12.831 5.752 5.547 87 HB3 LYS 12 HB3 LYS 12 -11.504 4.865 4.807 88 HG2 LYS 12 HG2 LYS 12 -13.047 3.232 3.875 89 HG3 LYS 12 HG3 LYS 12 -14.407 3.962 4.730 90 HD2 LYS 12 HD2 LYS 12 -12.773 5.555 2.719 91 HD3 LYS 12 HD3 LYS 12 -14.084 4.501 2.194 92 HE2 LYS 12 HE2 LYS 12 -14.902 6.783 2.379 93 HE3 LYS 12 HE3 LYS 12 -15.666 5.794 3.618 94 HZ1 LYS 12 HZ1 LYS 12 -13.360 7.601 4.076 95 HZ2 LYS 12 HZ2 LYS 12 -14.202 6.730 5.256 96 HZ3 LYS 12 HZ3 LYS 12 -14.971 7.975 4.415 97 H VAL 13 H VAL 13 -10.117 2.952 5.703 98 HA VAL 13 HA VAL 13 -10.971 0.408 4.760 99 HB VAL 13 HB VAL 13 -8.165 1.435 5.390 100 HG11 VAL 13 HG11 VAL 13 -8.124 -1.024 5.327 101 HG12 VAL 13 HG12 VAL 13 -7.323 -0.364 3.902 102 HG13 VAL 13 HG13 VAL 13 -8.956 -1.019 3.768 103 HG21 VAL 13 HG21 VAL 13 -9.677 1.309 2.744 104 HG22 VAL 13 HG22 VAL 13 -8.010 1.856 2.948 105 HG23 VAL 13 HG23 VAL 13 -9.333 2.772 3.672 106 H TRP 14 H TRP 14 -9.587 1.446 7.823 107 HA TRP 14 HA TRP 14 -9.220 -1.134 9.006 108 HB2 TRP 14 HB2 TRP 14 -8.073 1.020 9.728 109 HB3 TRP 14 HB3 TRP 14 -9.588 1.519 10.466 110 HD1 TRP 14 HD1 TRP 14 -6.847 -1.202 10.840 111 HE1 TRP 14 HE1 TRP 14 -6.865 -2.023 13.274 112 HE3 TRP 14 HE3 TRP 14 -10.917 1.346 12.504 113 HZ2 TRP 14 HZ2 TRP 14 -8.406 -1.654 15.602 114 HZ3 TRP 14 HZ3 TRP 14 -11.623 1.071 14.861 115 HH2 TRP 14 HH2 TRP 14 -10.384 -0.405 16.378 116 H HIS 15 H HIS 15 -11.873 1.198 8.960 117 HA HIS 15 HA HIS 15 -13.686 -0.172 10.676 118 HB2 HIS 15 HB2 HIS 15 -13.973 2.210 10.060 119 HB3 HIS 15 HB3 HIS 15 -14.267 1.753 8.385 120 HD1 HIS 15 HD1 HIS 15 -15.806 0.458 11.635 121 HD2 HIS 15 HD2 HIS 15 -16.939 2.115 7.993 122 HE1 HIS 15 HE1 HIS 15 -18.311 0.459 11.651 123 HE2 HIS 15 HE2 HIS 15 -18.976 1.526 9.475 124 H ALA 16 H ALA 16 -12.843 -0.588 7.304 125 HA ALA 16 HA ALA 16 -14.998 -2.334 6.560 126 HB1 ALA 16 HB1 ALA 16 -13.652 -2.824 4.568 127 HB2 ALA 16 HB2 ALA 16 -12.254 -2.021 5.293 128 HB3 ALA 16 HB3 ALA 16 -13.695 -1.088 4.882 129 H LEU 17 H LEU 17 -11.800 -2.843 8.001 130 HA LEU 17 HA LEU 17 -11.495 -5.615 7.787 131 HB2 LEU 17 HB2 LEU 17 -10.593 -3.741 9.991 132 HB3 LEU 17 HB3 LEU 17 -10.069 -5.416 9.882 133 HG LEU 17 HG LEU 17 -9.527 -3.307 7.745 134 HD11 LEU 17 HD11 LEU 17 -7.222 -3.283 8.555 135 HD12 LEU 17 HD12 LEU 17 -7.635 -4.409 9.848 136 HD13 LEU 17 HD13 LEU 17 -8.330 -2.787 9.834 137 HD21 LEU 17 HD21 LEU 17 -9.627 -5.589 6.842 138 HD22 LEU 17 HD22 LEU 17 -8.473 -6.141 8.060 139 HD23 LEU 17 HD23 LEU 17 -7.969 -4.985 6.824 140 H ASN 18 H ASN 18 -13.335 -3.807 10.272 141 HA ASN 18 HA ASN 18 -13.836 -6.057 11.966 142 HB2 ASN 18 HB2 ASN 18 -15.470 -4.599 13.141 143 HB3 ASN 18 HB3 ASN 18 -13.924 -3.809 12.885 144 HD21 ASN 18 HD21 ASN 18 -16.890 -4.108 10.858 145 HD22 ASN 18 HD22 ASN 18 -17.028 -2.404 10.594 146 H GLU 19 H GLU 19 -15.142 -5.248 8.976 147 HA GLU 19 HA GLU 19 -17.479 -7.038 9.266 148 HB2 GLU 19 HB2 GLU 19 -17.924 -4.812 8.313 149 HB3 GLU 19 HB3 GLU 19 -16.686 -5.036 7.090 150 HG2 GLU 19 HG2 GLU 19 -19.054 -6.909 7.200 151 HG3 GLU 19 HG3 GLU 19 -19.245 -5.306 6.499 152 H ALA 20 H ALA 20 -14.398 -6.591 7.538 153 HA ALA 20 HA ALA 20 -14.516 -9.331 6.432 154 HB1 ALA 20 HB1 ALA 20 -15.302 -7.792 4.671 155 HB2 ALA 20 HB2 ALA 20 -13.755 -8.524 4.236 156 HB3 ALA 20 HB3 ALA 20 -13.813 -6.855 4.809 157 H ASP 21 H ASP 21 -12.952 -9.911 8.054 158 HA ASP 21 HA ASP 21 -10.195 -9.008 7.730 159 HB2 ASP 21 HB2 ASP 21 -11.334 -11.367 9.295 160 HB3 ASP 21 HB3 ASP 21 -9.638 -10.891 9.304 161 H GLY 22 H GLY 22 -8.644 -9.939 6.461 162 HA2 GLY 22 HA2 GLY 22 -7.590 -11.372 4.991 163 HA3 GLY 22 HA3 GLY 22 -8.794 -12.596 5.361 164 H ILE 23 H ILE 23 -8.603 -9.433 3.742 165 HA ILE 23 HA ILE 23 -10.171 -10.487 1.460 166 HB ILE 23 HB ILE 23 -11.662 -9.102 2.805 167 HG12 ILE 23 HG12 ILE 23 -10.797 -7.587 0.297 168 HG13 ILE 23 HG13 ILE 23 -11.913 -8.946 0.335 169 HG21 ILE 23 HG21 ILE 23 -9.644 -6.847 2.570 170 HG22 ILE 23 HG22 ILE 23 -10.022 -7.758 4.034 171 HG23 ILE 23 HG23 ILE 23 -11.248 -6.723 3.300 172 HD11 ILE 23 HD11 ILE 23 -13.085 -6.867 0.073 173 HD12 ILE 23 HD12 ILE 23 -12.355 -6.225 1.543 174 HD13 ILE 23 HD13 ILE 23 -13.484 -7.580 1.636 175 H SER 24 H SER 24 -9.572 -9.840 -0.566 176 HA SER 24 HA SER 24 -6.952 -8.880 -1.121 177 HB2 SER 24 HB2 SER 24 -9.353 -9.077 -3.001 178 HB3 SER 24 HB3 SER 24 -7.662 -8.919 -3.492 179 HG SER 24 HG SER 24 -7.358 -10.956 -2.283 180 H ILE 25 H ILE 25 -6.234 -6.841 -1.714 181 HA ILE 25 HA ILE 25 -7.538 -4.566 -0.740 182 HB ILE 25 HB ILE 25 -5.176 -4.814 -2.634 183 HG12 ILE 25 HG12 ILE 25 -5.325 -4.252 0.374 184 HG13 ILE 25 HG13 ILE 25 -4.854 -5.779 -0.361 185 HG21 ILE 25 HG21 ILE 25 -6.145 -2.283 -1.255 186 HG22 ILE 25 HG22 ILE 25 -6.155 -2.597 -2.995 187 HG23 ILE 25 HG23 ILE 25 -4.626 -2.460 -2.133 188 HD11 ILE 25 HD11 ILE 25 -2.865 -4.680 -1.313 189 HD12 ILE 25 HD12 ILE 25 -2.921 -4.589 0.446 190 HD13 ILE 25 HD13 ILE 25 -3.334 -3.174 -0.519 191 HA PRO 26 HA PRO 26 -8.852 -3.356 -5.365 192 HB2 PRO 26 HB2 PRO 26 -9.492 -5.533 -6.997 193 HB3 PRO 26 HB3 PRO 26 -7.967 -4.639 -7.067 194 HG2 PRO 26 HG2 PRO 26 -8.589 -7.205 -5.602 195 HG3 PRO 26 HG3 PRO 26 -7.185 -6.813 -6.619 196 HD2 PRO 26 HD2 PRO 26 -6.975 -6.717 -3.959 197 HD3 PRO 26 HD3 PRO 26 -6.193 -5.465 -4.951 198 H GLU 27 H GLU 27 -10.110 -6.259 -3.734 199 HA GLU 27 HA GLU 27 -12.877 -5.884 -4.493 200 HB2 GLU 27 HB2 GLU 27 -11.849 -8.107 -3.833 201 HB3 GLU 27 HB3 GLU 27 -11.738 -7.514 -2.174 202 HG2 GLU 27 HG2 GLU 27 -14.214 -7.275 -2.116 203 HG3 GLU 27 HG3 GLU 27 -14.311 -7.897 -3.762 204 H LEU 28 H LEU 28 -10.951 -5.417 -1.641 205 HA LEU 28 HA LEU 28 -12.626 -4.130 0.154 206 HB2 LEU 28 HB2 LEU 28 -10.428 -5.088 0.631 207 HB3 LEU 28 HB3 LEU 28 -9.657 -3.926 -0.433 208 HG LEU 28 HG LEU 28 -10.277 -2.112 1.162 209 HD11 LEU 28 HD11 LEU 28 -12.213 -3.118 2.258 210 HD12 LEU 28 HD12 LEU 28 -10.988 -2.674 3.444 211 HD13 LEU 28 HD13 LEU 28 -11.187 -4.366 2.976 212 HD21 LEU 28 HD21 LEU 28 -8.533 -2.709 2.814 213 HD22 LEU 28 HD22 LEU 28 -8.057 -3.101 1.161 214 HD23 LEU 28 HD23 LEU 28 -8.594 -4.384 2.251 215 H ALA 29 H ALA 29 -10.707 -2.828 -2.520 216 HA ALA 29 HA ALA 29 -10.913 -0.067 -2.078 217 HB1 ALA 29 HB1 ALA 29 -10.670 -1.499 -4.743 218 HB2 ALA 29 HB2 ALA 29 -9.331 -1.078 -3.674 219 HB3 ALA 29 HB3 ALA 29 -10.281 0.201 -4.432 220 H ARG 30 H ARG 30 -13.097 -2.272 -3.776 221 HA ARG 30 HA ARG 30 -14.868 -0.341 -4.875 222 HB2 ARG 30 HB2 ARG 30 -14.812 -2.609 -5.764 223 HB3 ARG 30 HB3 ARG 30 -15.268 -3.285 -4.203 224 HG2 ARG 30 HG2 ARG 30 -17.499 -2.299 -4.381 225 HG3 ARG 30 HG3 ARG 30 -17.055 -1.493 -5.888 226 HD2 ARG 30 HD2 ARG 30 -17.078 -4.514 -5.521 227 HD3 ARG 30 HD3 ARG 30 -18.433 -3.593 -6.178 228 HE ARG 30 HE ARG 30 -16.679 -2.813 -7.893 229 HH11 ARG 30 HH11 ARG 30 -16.744 -6.016 -6.569 230 HH12 ARG 30 HH12 ARG 30 -16.039 -6.712 -7.984 231 HH21 ARG 30 HH21 ARG 30 -15.789 -3.739 -9.676 232 HH22 ARG 30 HH22 ARG 30 -15.512 -5.447 -9.710 233 H LYS 31 H LYS 31 -14.893 -2.106 -1.757 234 HA LYS 31 HA LYS 31 -17.498 -1.146 -0.956 235 HB2 LYS 31 HB2 LYS 31 -15.353 -2.594 0.648 236 HB3 LYS 31 HB3 LYS 31 -16.987 -2.261 1.231 237 HG2 LYS 31 HG2 LYS 31 -17.851 -3.571 -0.774 238 HG3 LYS 31 HG3 LYS 31 -16.181 -4.059 -1.082 239 HD2 LYS 31 HD2 LYS 31 -17.769 -4.634 1.454 240 HD3 LYS 31 HD3 LYS 31 -17.471 -5.782 0.150 241 HE2 LYS 31 HE2 LYS 31 -15.002 -5.550 0.619 242 HE3 LYS 31 HE3 LYS 31 -15.416 -4.568 2.028 243 HZ1 LYS 31 HZ1 LYS 31 -16.652 -6.446 2.917 244 HZ2 LYS 31 HZ2 LYS 31 -15.045 -6.876 2.618 245 HZ3 LYS 31 HZ3 LYS 31 -16.266 -7.381 1.562 246 H VAL 32 H VAL 32 -14.148 -0.170 -0.175 247 HA VAL 32 HA VAL 32 -15.023 2.018 1.537 248 HB VAL 32 HB VAL 32 -12.681 2.689 1.678 249 HG11 VAL 32 HG11 VAL 32 -11.693 0.648 2.673 250 HG12 VAL 32 HG12 VAL 32 -12.928 -0.343 1.892 251 HG13 VAL 32 HG13 VAL 32 -13.390 0.827 3.133 252 HG21 VAL 32 HG21 VAL 32 -12.076 0.584 -0.442 253 HG22 VAL 32 HG22 VAL 32 -10.870 1.522 0.445 254 HG23 VAL 32 HG23 VAL 32 -11.982 2.333 -0.658 255 H ASN 33 H ASN 33 -14.887 1.498 -1.781 256 HA ASN 33 HA ASN 33 -15.351 2.683 -3.631 257 HB2 ASN 33 HB2 ASN 33 -16.332 4.783 -1.656 258 HB3 ASN 33 HB3 ASN 33 -16.634 4.831 -3.392 259 HD21 ASN 33 HD21 ASN 33 -17.419 3.221 -0.397 260 HD22 ASN 33 HD22 ASN 33 -18.770 2.332 -1.001 261 H LEU 34 H LEU 34 -12.688 2.964 -2.343 262 HA LEU 34 HA LEU 34 -11.671 5.394 -3.707 263 HB2 LEU 34 HB2 LEU 34 -10.228 3.494 -1.802 264 HB3 LEU 34 HB3 LEU 34 -9.592 5.008 -2.434 265 HG LEU 34 HG LEU 34 -11.965 4.770 -0.525 266 HD11 LEU 34 HD11 LEU 34 -10.466 5.671 1.205 267 HD12 LEU 34 HD12 LEU 34 -9.112 5.635 0.072 268 HD13 LEU 34 HD13 LEU 34 -9.875 4.128 0.585 269 HD21 LEU 34 HD21 LEU 34 -12.141 6.758 -1.968 270 HD22 LEU 34 HD22 LEU 34 -10.511 7.258 -1.510 271 HD23 LEU 34 HD23 LEU 34 -11.798 7.222 -0.301 272 H SER 35 H SER 35 -9.530 5.020 -4.932 273 HA SER 35 HA SER 35 -9.573 2.838 -6.771 274 HB2 SER 35 HB2 SER 35 -7.263 4.700 -6.042 275 HB3 SER 35 HB3 SER 35 -7.284 3.615 -7.436 276 HG SER 35 HG SER 35 -7.905 5.826 -7.876 277 H VAL 36 H VAL 36 -7.953 1.081 -6.976 278 HA VAL 36 HA VAL 36 -7.505 -0.535 -4.787 279 HB VAL 36 HB VAL 36 -5.872 -0.358 -7.345 280 HG11 VAL 36 HG11 VAL 36 -5.134 -2.715 -6.894 281 HG12 VAL 36 HG12 VAL 36 -5.804 -2.576 -5.265 282 HG13 VAL 36 HG13 VAL 36 -4.464 -1.527 -5.768 283 HG21 VAL 36 HG21 VAL 36 -7.255 -2.256 -8.119 284 HG22 VAL 36 HG22 VAL 36 -8.243 -0.844 -7.738 285 HG23 VAL 36 HG23 VAL 36 -8.174 -2.201 -6.611 286 H GLU 37 H GLU 37 -4.973 1.495 -6.313 287 HA GLU 37 HA GLU 37 -3.052 1.114 -4.272 288 HB2 GLU 37 HB2 GLU 37 -3.171 3.306 -6.374 289 HB3 GLU 37 HB3 GLU 37 -1.789 2.997 -5.331 290 HG2 GLU 37 HG2 GLU 37 -1.138 1.828 -7.208 291 HG3 GLU 37 HG3 GLU 37 -1.930 0.553 -6.320 292 H SER 38 H SER 38 -5.562 3.641 -4.570 293 HA SER 38 HA SER 38 -4.726 5.352 -2.470 294 HB2 SER 38 HB2 SER 38 -7.583 4.669 -3.312 295 HB3 SER 38 HB3 SER 38 -7.129 6.042 -2.301 296 HG SER 38 HG SER 38 -7.382 6.651 -4.473 297 H THR 39 H THR 39 -6.737 2.464 -2.452 298 HA THR 39 HA THR 39 -7.366 2.377 0.327 299 HB THR 39 HB THR 39 -7.452 0.170 -1.782 300 HG1 THR 39 HG1 THR 39 -9.018 1.397 -2.506 301 HG21 THR 39 HG21 THR 39 -8.881 0.330 0.897 302 HG22 THR 39 HG22 THR 39 -7.571 -0.784 0.495 303 HG23 THR 39 HG23 THR 39 -9.128 -0.917 -0.327 304 H ALA 40 H ALA 40 -4.879 0.815 -1.677 305 HA ALA 40 HA ALA 40 -3.819 -0.987 0.257 306 HB1 ALA 40 HB1 ALA 40 -2.524 0.176 -2.235 307 HB2 ALA 40 HB2 ALA 40 -3.516 -1.280 -2.165 308 HB3 ALA 40 HB3 ALA 40 -1.957 -1.243 -1.343 309 H LEU 41 H LEU 41 -2.846 2.216 -0.817 310 HA LEU 41 HA LEU 41 -0.583 2.541 0.892 311 HB2 LEU 41 HB2 LEU 41 -0.747 3.679 -1.216 312 HB3 LEU 41 HB3 LEU 41 -2.280 4.400 -0.801 313 HG LEU 41 HG LEU 41 -0.119 5.868 -0.915 314 HD11 LEU 41 HD11 LEU 41 -2.282 6.713 -0.256 315 HD12 LEU 41 HD12 LEU 41 -1.002 7.426 0.720 316 HD13 LEU 41 HD13 LEU 41 -2.028 6.161 1.404 317 HD21 LEU 41 HD21 LEU 41 1.128 6.139 1.165 318 HD22 LEU 41 HD22 LEU 41 1.311 4.502 0.543 319 HD23 LEU 41 HD23 LEU 41 0.237 4.811 1.909 320 H ALA 42 H ALA 42 -4.048 3.182 1.289 321 HA ALA 42 HA ALA 42 -3.886 4.460 3.849 322 HB1 ALA 42 HB1 ALA 42 -5.898 4.604 2.457 323 HB2 ALA 42 HB2 ALA 42 -6.285 3.928 4.041 324 HB3 ALA 42 HB3 ALA 42 -6.165 2.869 2.632 325 H VAL 43 H VAL 43 -4.220 1.016 2.868 326 HA VAL 43 HA VAL 43 -4.131 -0.199 5.420 327 HB VAL 43 HB VAL 43 -2.981 -1.271 2.791 328 HG11 VAL 43 HG11 VAL 43 -3.160 -3.532 3.781 329 HG12 VAL 43 HG12 VAL 43 -3.680 -2.829 5.313 330 HG13 VAL 43 HG13 VAL 43 -2.053 -2.517 4.709 331 HG21 VAL 43 HG21 VAL 43 -5.089 -2.532 2.549 332 HG22 VAL 43 HG22 VAL 43 -5.389 -0.796 2.594 333 HG23 VAL 43 HG23 VAL 43 -5.716 -1.780 4.019 334 H GLY 44 H GLY 44 -1.603 1.093 3.330 335 HA2 GLY 44 HA2 GLY 44 0.698 0.203 4.713 336 HA3 GLY 44 HA3 GLY 44 0.614 1.579 3.625 337 H TRP 45 H TRP 45 -1.292 3.148 5.128 338 HA TRP 45 HA TRP 45 0.334 4.358 7.149 339 HB2 TRP 45 HB2 TRP 45 -1.346 5.691 5.931 340 HB3 TRP 45 HB3 TRP 45 -2.649 4.716 6.607 341 HD1 TRP 45 HD1 TRP 45 -3.585 5.465 8.962 342 HE1 TRP 45 HE1 TRP 45 -3.000 7.315 10.632 343 HE3 TRP 45 HE3 TRP 45 0.813 7.093 6.887 344 HZ2 TRP 45 HZ2 TRP 45 -0.972 9.219 11.034 345 HZ3 TRP 45 HZ3 TRP 45 2.014 8.944 7.987 346 HH2 TRP 45 HH2 TRP 45 1.136 9.986 10.018 347 H LEU 46 H LEU 46 -2.491 2.181 7.277 348 HA LEU 46 HA LEU 46 -2.701 1.872 10.068 349 HB2 LEU 46 HB2 LEU 46 -3.351 -0.057 7.811 350 HB3 LEU 46 HB3 LEU 46 -3.774 -0.366 9.490 351 HG LEU 46 HG LEU 46 -4.807 1.985 7.848 352 HD11 LEU 46 HD11 LEU 46 -5.737 -0.122 7.007 353 HD12 LEU 46 HD12 LEU 46 -6.976 0.835 7.821 354 HD13 LEU 46 HD13 LEU 46 -6.265 -0.559 8.638 355 HD21 LEU 46 HD21 LEU 46 -6.351 2.373 9.715 356 HD22 LEU 46 HD22 LEU 46 -4.680 2.497 10.251 357 HD23 LEU 46 HD23 LEU 46 -5.618 1.047 10.623 358 H ALA 47 H ALA 47 -0.665 0.157 7.694 359 HA ALA 47 HA ALA 47 0.572 -1.719 9.365 360 HB1 ALA 47 HB1 ALA 47 2.344 -1.841 7.654 361 HB2 ALA 47 HB2 ALA 47 1.754 -0.344 6.925 362 HB3 ALA 47 HB3 ALA 47 0.744 -1.790 6.909 363 H ARG 48 H ARG 48 1.560 1.668 8.632 364 HA ARG 48 HA ARG 48 3.831 1.867 10.266 365 HB2 ARG 48 HB2 ARG 48 3.324 3.681 8.777 366 HB3 ARG 48 HB3 ARG 48 1.732 3.927 9.486 367 HG2 ARG 48 HG2 ARG 48 2.796 4.737 11.574 368 HG3 ARG 48 HG3 ARG 48 4.386 4.489 10.853 369 HD2 ARG 48 HD2 ARG 48 3.968 6.229 9.206 370 HD3 ARG 48 HD3 ARG 48 2.293 6.395 9.752 371 HE ARG 48 HE ARG 48 3.176 7.175 11.906 372 HH11 ARG 48 HH11 ARG 48 5.225 7.579 9.132 373 HH12 ARG 48 HH12 ARG 48 6.254 8.698 9.947 374 HH21 ARG 48 HH21 ARG 48 4.487 8.616 12.885 375 HH22 ARG 48 HH22 ARG 48 5.838 9.285 12.041 376 H GLU 49 H GLU 49 0.390 2.300 11.127 377 HA GLU 49 HA GLU 49 0.888 2.951 13.908 378 HB2 GLU 49 HB2 GLU 49 -1.716 2.204 12.536 379 HB3 GLU 49 HB3 GLU 49 -1.555 2.984 14.107 380 HG2 GLU 49 HG2 GLU 49 -0.721 5.014 13.052 381 HG3 GLU 49 HG3 GLU 49 -0.717 4.229 11.470 382 H ASN 50 H ASN 50 0.913 0.005 12.290 383 HA ASN 50 HA ASN 50 0.978 -2.175 12.856 384 HB2 ASN 50 HB2 ASN 50 0.917 -1.242 15.757 385 HB3 ASN 50 HB3 ASN 50 1.338 -2.868 15.224 386 HD21 ASN 50 HD21 ASN 50 2.988 -1.085 16.759 387 HD22 ASN 50 HD22 ASN 50 4.406 -0.779 15.827 388 H LYS 51 H LYS 51 -1.521 -0.931 12.323 389 HA LYS 51 HA LYS 51 -3.564 -2.166 14.006 390 HB2 LYS 51 HB2 LYS 51 -3.802 -0.187 11.705 391 HB3 LYS 51 HB3 LYS 51 -5.127 -0.701 12.745 392 HG2 LYS 51 HG2 LYS 51 -2.871 0.369 14.310 393 HG3 LYS 51 HG3 LYS 51 -3.441 1.530 13.117 394 HD2 LYS 51 HD2 LYS 51 -5.278 0.148 15.113 395 HD3 LYS 51 HD3 LYS 51 -4.504 1.707 15.416 396 HE2 LYS 51 HE2 LYS 51 -6.417 1.102 13.129 397 HE3 LYS 51 HE3 LYS 51 -6.828 1.974 14.607 398 HZ1 LYS 51 HZ1 LYS 51 -6.396 3.491 12.784 399 HZ2 LYS 51 HZ2 LYS 51 -4.845 2.853 12.568 400 HZ3 LYS 51 HZ3 LYS 51 -5.227 3.683 13.989 401 H VAL 52 H VAL 52 -2.003 -2.891 10.998 402 HA VAL 52 HA VAL 52 -4.175 -4.801 10.296 403 HB VAL 52 HB VAL 52 -3.316 -4.737 7.886 404 HG11 VAL 52 HG11 VAL 52 -4.586 -2.706 7.276 405 HG12 VAL 52 HG12 VAL 52 -4.584 -2.196 8.967 406 HG13 VAL 52 HG13 VAL 52 -5.429 -3.670 8.490 407 HG21 VAL 52 HG21 VAL 52 -1.936 -2.188 8.820 408 HG22 VAL 52 HG22 VAL 52 -2.082 -2.722 7.143 409 HG23 VAL 52 HG23 VAL 52 -1.130 -3.667 8.290 410 H VAL 53 H VAL 53 -3.674 -6.865 9.854 411 HA VAL 53 HA VAL 53 -0.882 -7.805 10.203 412 HB VAL 53 HB VAL 53 -3.536 -9.277 10.589 413 HG11 VAL 53 HG11 VAL 53 -1.847 -10.868 9.789 414 HG12 VAL 53 HG12 VAL 53 -2.197 -11.167 11.491 415 HG13 VAL 53 HG13 VAL 53 -0.714 -10.330 11.033 416 HG21 VAL 53 HG21 VAL 53 -3.103 -7.638 12.388 417 HG22 VAL 53 HG22 VAL 53 -1.510 -8.348 12.669 418 HG23 VAL 53 HG23 VAL 53 -2.963 -9.288 13.001 419 H ILE 54 H ILE 54 0.044 -8.027 8.201 420 HA ILE 54 HA ILE 54 -1.502 -8.801 5.845 421 HB ILE 54 HB ILE 54 1.462 -8.081 6.118 422 HG12 ILE 54 HG12 ILE 54 0.762 -6.027 4.724 423 HG13 ILE 54 HG13 ILE 54 -0.905 -6.467 5.051 424 HG21 ILE 54 HG21 ILE 54 1.196 -9.643 4.246 425 HG22 ILE 54 HG22 ILE 54 1.559 -8.030 3.635 426 HG23 ILE 54 HG23 ILE 54 -0.093 -8.649 3.560 427 HD11 ILE 54 HD11 ILE 54 -0.138 -4.681 6.488 428 HD12 ILE 54 HD12 ILE 54 1.165 -5.696 7.102 429 HD13 ILE 54 HD13 ILE 54 -0.518 -6.115 7.438 430 H GLU 55 H GLU 55 -1.688 -10.857 5.162 431 HA GLU 55 HA GLU 55 0.406 -12.863 5.710 432 HB2 GLU 55 HB2 GLU 55 -1.931 -12.857 7.181 433 HB3 GLU 55 HB3 GLU 55 -2.435 -13.863 5.835 434 HG2 GLU 55 HG2 GLU 55 0.005 -14.411 7.562 435 HG3 GLU 55 HG3 GLU 55 -1.590 -15.091 7.872 436 H ARG 56 H ARG 56 1.112 -13.524 3.758 437 HA ARG 56 HA ARG 56 -0.495 -13.381 1.338 438 HB2 ARG 56 HB2 ARG 56 2.357 -14.245 1.913 439 HB3 ARG 56 HB3 ARG 56 1.631 -14.553 0.342 440 HG2 ARG 56 HG2 ARG 56 1.321 -12.152 -0.033 441 HG3 ARG 56 HG3 ARG 56 1.964 -11.794 1.577 442 HD2 ARG 56 HD2 ARG 56 4.155 -12.510 0.982 443 HD3 ARG 56 HD3 ARG 56 3.586 -13.351 -0.461 444 HE ARG 56 HE ARG 56 2.997 -10.716 -0.934 445 HH11 ARG 56 HH11 ARG 56 5.935 -12.322 -0.063 446 HH12 ARG 56 HH12 ARG 56 6.886 -11.369 -1.144 447 HH21 ARG 56 HH21 ARG 56 4.246 -9.516 -2.304 448 HH22 ARG 56 HH22 ARG 56 5.950 -9.793 -2.377 449 H LYS 57 H LYS 57 -2.095 -14.865 1.240 450 HA LYS 57 HA LYS 57 -1.519 -17.719 1.831 451 HB2 LYS 57 HB2 LYS 57 -4.265 -16.386 1.746 452 HB3 LYS 57 HB3 LYS 57 -3.858 -17.988 2.371 453 HG2 LYS 57 HG2 LYS 57 -2.465 -16.825 4.148 454 HG3 LYS 57 HG3 LYS 57 -3.131 -15.297 3.569 455 HD2 LYS 57 HD2 LYS 57 -4.401 -15.973 5.496 456 HD3 LYS 57 HD3 LYS 57 -5.433 -16.178 4.079 457 HE2 LYS 57 HE2 LYS 57 -5.689 -18.090 5.578 458 HE3 LYS 57 HE3 LYS 57 -4.904 -18.620 4.089 459 HZ1 LYS 57 HZ1 LYS 57 -3.546 -18.022 6.659 460 HZ2 LYS 57 HZ2 LYS 57 -2.772 -18.504 5.242 461 HZ3 LYS 57 HZ3 LYS 57 -3.832 -19.562 6.025 462 H ASN 58 H ASN 58 -1.512 -19.082 0.120 463 HA ASN 58 HA ASN 58 -1.673 -19.969 -1.965 464 HB2 ASN 58 HB2 ASN 58 -4.316 -18.443 -2.062 465 HB3 ASN 58 HB3 ASN 58 -3.880 -19.798 -3.100 466 HD21 ASN 58 HD21 ASN 58 -6.059 -19.392 -1.068 467 HD22 ASN 58 HD22 ASN 58 -5.944 -20.768 -0.034 468 H GLY 59 H GLY 59 -0.217 -17.496 -1.738 469 HA2 GLY 59 HA2 GLY 59 1.000 -16.184 -3.245 470 HA3 GLY 59 HA3 GLY 59 -0.144 -16.579 -4.515 471 H LEU 60 H LEU 60 -2.411 -15.721 -2.641 472 HA LEU 60 HA LEU 60 -2.576 -12.980 -3.528 473 HB2 LEU 60 HB2 LEU 60 -4.503 -14.618 -1.824 474 HB3 LEU 60 HB3 LEU 60 -4.858 -13.052 -2.541 475 HG LEU 60 HG LEU 60 -4.412 -15.678 -4.025 476 HD11 LEU 60 HD11 LEU 60 -6.904 -13.951 -3.778 477 HD12 LEU 60 HD12 LEU 60 -6.613 -15.489 -2.958 478 HD13 LEU 60 HD13 LEU 60 -6.755 -15.444 -4.713 479 HD21 LEU 60 HD21 LEU 60 -4.904 -12.922 -5.222 480 HD22 LEU 60 HD22 LEU 60 -4.900 -14.448 -6.114 481 HD23 LEU 60 HD23 LEU 60 -3.421 -13.876 -5.349 482 H ILE 61 H ILE 61 -2.713 -11.107 -2.257 483 HA ILE 61 HA ILE 61 -1.537 -11.196 0.430 484 HB ILE 61 HB ILE 61 -2.324 -8.763 -1.265 485 HG12 ILE 61 HG12 ILE 61 0.257 -8.419 -1.343 486 HG13 ILE 61 HG13 ILE 61 0.391 -10.088 -0.805 487 HG21 ILE 61 HG21 ILE 61 -1.070 -7.390 0.385 488 HG22 ILE 61 HG22 ILE 61 -0.822 -8.823 1.386 489 HG23 ILE 61 HG23 ILE 61 -2.453 -8.203 1.124 490 HD11 ILE 61 HD11 ILE 61 0.706 -9.855 -3.201 491 HD12 ILE 61 HD12 ILE 61 -0.901 -9.147 -3.367 492 HD13 ILE 61 HD13 ILE 61 -0.722 -10.826 -2.849 493 H GLU 62 H GLU 62 -2.963 -11.698 2.021 494 HA GLU 62 HA GLU 62 -5.666 -10.461 2.047 495 HB2 GLU 62 HB2 GLU 62 -4.600 -12.977 3.402 496 HB3 GLU 62 HB3 GLU 62 -6.126 -12.222 3.864 497 HG2 GLU 62 HG2 GLU 62 -6.954 -12.533 1.532 498 HG3 GLU 62 HG3 GLU 62 -5.451 -13.374 1.137 499 H ILE 63 H ILE 63 -5.865 -8.757 3.348 500 HA ILE 63 HA ILE 63 -4.013 -8.381 5.608 501 HB ILE 63 HB ILE 63 -4.875 -5.944 5.536 502 HG12 ILE 63 HG12 ILE 63 -5.593 -5.241 3.108 503 HG13 ILE 63 HG13 ILE 63 -6.066 -6.920 2.890 504 HG21 ILE 63 HG21 ILE 63 -3.292 -5.345 3.722 505 HG22 ILE 63 HG22 ILE 63 -3.269 -7.028 3.189 506 HG23 ILE 63 HG23 ILE 63 -2.645 -6.599 4.783 507 HD11 ILE 63 HD11 ILE 63 -7.666 -6.664 4.738 508 HD12 ILE 63 HD12 ILE 63 -7.957 -5.548 3.410 509 HD13 ILE 63 HD13 ILE 63 -7.190 -4.971 4.888 510 H TYR 64 H TYR 64 -4.675 -8.079 7.641 511 HA TYR 64 HA TYR 64 -7.503 -8.677 8.353 512 HB2 TYR 64 HB2 TYR 64 -4.963 -9.713 9.710 513 HB3 TYR 64 HB3 TYR 64 -6.592 -9.977 10.309 514 HD1 TYR 64 HD1 TYR 64 -4.183 -10.891 7.627 515 HD2 TYR 64 HD2 TYR 64 -8.020 -11.697 9.330 516 HE1 TYR 64 HE1 TYR 64 -4.345 -12.950 6.297 517 HE2 TYR 64 HE2 TYR 64 -8.175 -13.758 8.003 518 HH TYR 64 HH TYR 64 -7.120 -14.529 5.707 519 H ASN 65 H ASN 65 -7.888 -8.127 10.767 520 HA ASN 65 HA ASN 65 -6.880 -5.443 11.363 521 HB2 ASN 65 HB2 ASN 65 -9.337 -6.080 11.522 522 HB3 ASN 65 HB3 ASN 65 -8.926 -7.096 12.901 523 HD21 ASN 65 HD21 ASN 65 -10.368 -5.827 14.174 524 HD22 ASN 65 HD22 ASN 65 -9.901 -4.264 14.741 525 H GLU 66 H GLU 66 -6.021 -4.859 13.446 526 HA GLU 66 HA GLU 66 -4.065 -6.497 14.602 527 HB2 GLU 66 HB2 GLU 66 -4.078 -4.727 16.479 528 HB3 GLU 66 HB3 GLU 66 -3.759 -4.165 14.849 529 HG2 GLU 66 HG2 GLU 66 -5.188 -2.538 15.818 530 HG3 GLU 66 HG3 GLU 66 -6.190 -3.459 14.700 531 H GLY 67 H GLY 67 -3.911 -7.299 16.793 532 HA2 GLY 67 HA2 GLY 67 -4.795 -8.376 18.715 533 HA3 GLY 67 HA3 GLY 67 -6.401 -8.337 18.001 534 H HIS 68 H HIS 68 -4.771 -9.301 15.434 535 HA HIS 68 HA HIS 68 -5.223 -12.125 15.755 536 HB2 HIS 68 HB2 HIS 68 -5.533 -10.870 13.586 537 HB3 HIS 68 HB3 HIS 68 -3.788 -10.687 13.479 538 HD1 HIS 68 HD1 HIS 68 -6.517 -13.246 13.195 539 HD2 HIS 68 HD2 HIS 68 -2.425 -12.972 12.546 540 HE1 HIS 68 HE1 HIS 68 -5.894 -15.339 11.980 541 HE2 HIS 68 HE2 HIS 68 -3.399 -15.233 11.744 542 H PHE 69 H PHE 69 -2.377 -10.021 15.951 543 HA PHE 69 HA PHE 69 -0.645 -12.283 16.723 544 HB2 PHE 69 HB2 PHE 69 -0.051 -9.305 16.432 545 HB3 PHE 69 HB3 PHE 69 1.127 -10.480 17.005 546 HD1 PHE 69 HD2 PHE 69 0.806 -12.753 15.184 547 HD2 PHE 69 HD1 PHE 69 0.697 -8.560 14.320 548 HE1 PHE 69 HE2 PHE 69 1.548 -13.202 12.881 549 HE2 PHE 69 HE1 PHE 69 1.447 -9.022 12.021 550 HZ PHE 69 HZ PHE 69 1.875 -11.340 11.301 551 H ASP 70 H ASP 70 0.136 -12.554 18.824 552 HA ASP 70 HA ASP 70 -1.540 -11.536 20.968 553 HB2 ASP 70 HB2 ASP 70 -0.343 -13.158 22.383 554 HB3 ASP 70 HB3 ASP 70 -0.891 -13.922 20.894 555 H PHE 71 H PHE 71 -0.262 -11.101 23.146 556 HA PHE 71 HA PHE 71 1.611 -8.858 22.651 557 HB2 PHE 71 HB2 PHE 71 -0.124 -9.438 25.090 558 HB3 PHE 71 HB3 PHE 71 0.897 -8.017 24.871 559 HD1 PHE 71 HD1 PHE 71 0.367 -6.413 22.951 560 HD2 PHE 71 HD2 PHE 71 -2.358 -9.472 24.197 561 HE1 PHE 71 HE1 PHE 71 -1.468 -5.260 21.787 562 HE2 PHE 71 HE2 PHE 71 -4.187 -8.306 23.034 563 HZ PHE 71 HZ PHE 71 -3.744 -6.203 21.826 564 H SER 72 H SER 72 3.573 -9.918 22.551 565 HA SER 72 HA SER 72 4.398 -11.876 24.560 566 HB2 SER 72 HB2 SER 72 5.874 -10.768 22.134 567 HB3 SER 72 HB3 SER 72 6.455 -12.082 23.161 568 HG SER 72 HG SER 72 3.914 -12.245 21.927 569 H PHE 73 H PHE 73 4.594 -10.696 26.481 570 HA PHE 73 HA PHE 73 6.524 -8.491 26.656 571 HB2 PHE 73 HB2 PHE 73 4.834 -9.789 28.834 572 HB3 PHE 73 HB3 PHE 73 5.847 -8.361 29.037 573 HD1 PHE 73 HD1 PHE 73 5.325 -6.340 27.409 574 HD2 PHE 73 HD2 PHE 73 2.553 -9.479 28.304 575 HE1 PHE 73 HE1 PHE 73 3.457 -4.896 26.715 576 HE2 PHE 73 HE2 PHE 73 0.699 -8.020 27.610 577 HZ PHE 73 HZ PHE 73 1.147 -5.736 26.819 578 H GLY 74 H GLY 74 8.464 -9.545 26.155 579 HA2 GLY 74 HA2 GLY 74 9.696 -10.953 28.458 580 HA3 GLY 74 HA3 GLY 74 9.853 -11.649 26.848 581 H LEU 75 H LEU 75 9.795 -8.279 26.699 582 HA LEU 75 HA LEU 75 12.648 -8.164 26.104 583 HB2 LEU 75 HB2 LEU 75 11.880 -5.645 25.496 584 HB3 LEU 75 HB3 LEU 75 11.760 -6.996 24.396 585 HG LEU 75 HG LEU 75 9.320 -7.239 25.087 586 HD11 LEU 75 HD11 LEU 75 8.163 -5.341 26.106 587 HD12 LEU 75 HD12 LEU 75 9.708 -4.535 26.389 588 HD13 LEU 75 HD13 LEU 75 9.338 -6.052 27.213 589 HD21 LEU 75 HD21 LEU 75 9.956 -6.196 22.957 590 HD22 LEU 75 HD22 LEU 75 10.082 -4.621 23.748 591 HD23 LEU 75 HD23 LEU 75 8.515 -5.429 23.631 592 H GLU 76 H GLU 76 13.498 -8.393 28.149 593 HA GLU 76 HA GLU 76 12.991 -6.488 30.269 594 HB2 GLU 76 HB2 GLU 76 13.654 -9.005 30.454 595 HB3 GLU 76 HB3 GLU 76 15.298 -8.464 30.173 596 HG2 GLU 76 HG2 GLU 76 13.553 -7.484 32.458 597 HG3 GLU 76 HG3 GLU 76 14.650 -8.849 32.589 598 H HIS 77 H HIS 77 13.496 -4.509 29.421 599 HA HIS 77 HA HIS 77 16.112 -3.894 28.306 600 HB2 HIS 77 HB2 HIS 77 15.154 -1.498 28.261 601 HB3 HIS 77 HB3 HIS 77 14.376 -2.693 27.239 602 HD1 HIS 77 HD1 HIS 77 12.013 -3.567 28.027 603 HD2 HIS 77 HD2 HIS 77 13.477 -0.286 30.122 604 HE1 HIS 77 HE1 HIS 77 10.040 -2.618 29.254 605 HE2 HIS 77 HE2 HIS 77 10.912 -0.536 30.350 606 H HIS 78 H HIS 78 17.674 -4.084 29.791 607 HA HIS 78 HA HIS 78 17.301 -3.270 32.583 608 HB2 HIS 78 HB2 HIS 78 18.318 -5.529 31.654 609 HB3 HIS 78 HB3 HIS 78 19.795 -4.592 31.451 610 HD1 HIS 78 HD1 HIS 78 17.395 -5.767 34.115 611 HD2 HIS 78 HD2 HIS 78 21.256 -4.264 33.808 612 HE1 HIS 78 HE1 HIS 78 18.383 -5.991 36.410 613 HE2 HIS 78 HE2 HIS 78 20.643 -4.906 36.241 614 H HIS 79 H HIS 79 17.287 -1.055 31.117 615 HA HIS 79 HA HIS 79 19.634 0.192 30.276 616 HB2 HIS 79 HB2 HIS 79 18.309 2.301 30.316 617 HB3 HIS 79 HB3 HIS 79 17.414 0.968 29.599 618 HD1 HIS 79 HD1 HIS 79 17.282 3.430 32.353 619 HD2 HIS 79 HD2 HIS 79 15.265 -0.041 31.269 620 HE1 HIS 79 HE1 HIS 79 15.202 3.396 33.753 621 HE2 HIS 79 HE2 HIS 79 14.057 1.242 33.164 622 H HIS 80 H HIS 80 21.101 1.575 31.167 623 HA HIS 80 HA HIS 80 20.843 2.482 33.976 624 HB2 HIS 80 HB2 HIS 80 23.331 1.340 32.638 625 HB3 HIS 80 HB3 HIS 80 23.387 2.254 34.144 626 HD1 HIS 80 HD1 HIS 80 22.871 -1.139 32.848 627 HD2 HIS 80 HD2 HIS 80 21.973 0.946 36.330 628 HE1 HIS 80 HE1 HIS 80 22.358 -2.887 34.563 629 HE2 HIS 80 HE2 HIS 80 22.014 -1.612 36.698 630 H HIS 81 H HIS 81 22.185 3.056 30.733 631 HA HIS 81 HA HIS 81 22.687 5.902 31.365 632 HB2 HIS 81 HB2 HIS 81 24.522 4.648 30.261 633 HB3 HIS 81 HB3 HIS 81 23.463 4.250 28.913 634 HD1 HIS 81 HD1 HIS 81 25.141 7.239 30.539 635 HD2 HIS 81 HD2 HIS 81 23.406 6.171 26.916 636 HE1 HIS 81 HE1 HIS 81 25.598 9.153 28.985 637 HE2 HIS 81 HE2 HIS 81 24.725 8.390 26.756 638 H HIS 82 H HIS 82 21.301 7.456 30.677 639 HA HIS 82 HA HIS 82 19.018 6.789 28.943 640 HB2 HIS 82 HB2 HIS 82 18.604 7.961 31.107 641 HB3 HIS 82 HB3 HIS 82 19.606 9.306 30.577 642 HD1 HIS 82 HD1 HIS 82 18.086 11.212 30.094 643 HD2 HIS 82 HD2 HIS 82 16.450 7.618 28.803 644 HE1 HIS 82 HE1 HIS 82 15.911 11.823 29.005 645 HE2 HIS 82 HE2 HIS 82 14.899 9.630 28.320 646 H1 MET 1 H MET 1 1.710 -14.409 6.398 647 HA MET 1 HA MET 1 1.875 -15.215 8.505 648 HB2 MET 1 HB2 MET 1 3.407 -16.859 7.519 649 HB3 MET 1 HB3 MET 1 4.750 -15.731 7.646 650 HG2 MET 1 HG2 MET 1 4.632 -15.857 10.100 651 HG3 MET 1 HG3 MET 1 3.272 -16.976 9.983 652 HE1 MET 1 HE1 MET 1 6.497 -16.905 7.649 653 HE2 MET 1 HE2 MET 1 7.553 -18.010 8.528 654 HE3 MET 1 HE3 MET 1 7.124 -16.451 9.234 655 H ASP 2 H ASP 2 5.060 -13.656 8.007 656 HA ASP 2 HA ASP 2 4.683 -11.968 10.381 657 HB2 ASP 2 HB2 ASP 2 7.089 -12.588 8.625 658 HB3 ASP 2 HB3 ASP 2 7.119 -11.255 9.776 659 H LYS 3 H LYS 3 4.615 -9.780 10.299 660 HA LYS 3 HA LYS 3 3.882 -8.302 7.977 661 HB2 LYS 3 HB2 LYS 3 3.246 -7.689 10.300 662 HB3 LYS 3 HB3 LYS 3 4.939 -7.395 10.685 663 HG2 LYS 3 HG2 LYS 3 4.851 -5.598 8.814 664 HG3 LYS 3 HG3 LYS 3 3.093 -5.765 8.924 665 HD2 LYS 3 HD2 LYS 3 3.205 -5.193 11.333 666 HD3 LYS 3 HD3 LYS 3 4.961 -5.038 11.212 667 HE2 LYS 3 HE2 LYS 3 4.574 -3.218 9.486 668 HE3 LYS 3 HE3 LYS 3 2.857 -3.288 9.905 669 HZ1 LYS 3 HZ1 LYS 3 3.448 -2.776 12.186 670 HZ2 LYS 3 HZ2 LYS 3 3.987 -1.573 11.131 671 HZ3 LYS 3 HZ3 LYS 3 5.083 -2.694 11.764 672 H LYS 4 H LYS 4 6.949 -9.203 9.379 673 HA LYS 4 HA LYS 4 8.735 -7.214 8.549 674 HB2 LYS 4 HB2 LYS 4 9.303 -10.202 8.699 675 HB3 LYS 4 HB3 LYS 4 10.504 -8.909 8.774 676 HG2 LYS 4 HG2 LYS 4 9.485 -8.130 10.911 677 HG3 LYS 4 HG3 LYS 4 8.333 -9.472 10.825 678 HD2 LYS 4 HD2 LYS 4 10.263 -11.076 10.880 679 HD3 LYS 4 HD3 LYS 4 11.365 -9.706 11.069 680 HE2 LYS 4 HE2 LYS 4 10.930 -10.728 13.240 681 HE3 LYS 4 HE3 LYS 4 10.221 -9.114 13.201 682 HZ1 LYS 4 HZ1 LYS 4 8.748 -11.668 12.796 683 HZ2 LYS 4 HZ2 LYS 4 8.062 -10.120 12.780 684 HZ3 LYS 4 HZ3 LYS 4 8.739 -10.728 14.201 685 H ILE 5 H ILE 5 7.217 -9.711 6.648 686 HA ILE 5 HA ILE 5 8.786 -9.847 4.350 687 HB ILE 5 HB ILE 5 5.738 -9.950 4.535 688 HG12 ILE 5 HG12 ILE 5 7.754 -12.249 4.649 689 HG13 ILE 5 HG13 ILE 5 6.922 -11.580 6.048 690 HG21 ILE 5 HG21 ILE 5 7.543 -11.050 2.344 691 HG22 ILE 5 HG22 ILE 5 6.451 -9.673 2.190 692 HG23 ILE 5 HG23 ILE 5 5.797 -11.291 2.451 693 HD11 ILE 5 HD11 ILE 5 5.625 -13.021 3.727 694 HD12 ILE 5 HD12 ILE 5 4.775 -12.338 5.116 695 HD13 ILE 5 HD13 ILE 5 5.911 -13.665 5.345 696 H VAL 6 H VAL 6 6.234 -7.436 5.168 697 HA VAL 6 HA VAL 6 6.268 -6.005 2.723 698 HB VAL 6 HB VAL 6 4.974 -4.290 3.713 699 HG11 VAL 6 HG11 VAL 6 4.351 -6.784 5.330 700 HG12 VAL 6 HG12 VAL 6 3.766 -6.416 3.705 701 HG13 VAL 6 HG13 VAL 6 3.255 -5.423 5.072 702 HG21 VAL 6 HG21 VAL 6 6.051 -5.014 6.476 703 HG22 VAL 6 HG22 VAL 6 4.799 -3.810 6.165 704 HG23 VAL 6 HG23 VAL 6 6.432 -3.561 5.548 705 H GLY 7 H GLY 7 8.382 -5.835 5.524 706 HA2 GLY 7 HA2 GLY 7 9.665 -3.348 5.034 707 HA3 GLY 7 HA3 GLY 7 10.307 -4.674 5.990 708 H ALA 8 H ALA 8 10.535 -6.670 4.118 709 HA ALA 8 HA ALA 8 12.947 -6.096 2.734 710 HB1 ALA 8 HB1 ALA 8 12.729 -8.383 1.840 711 HB2 ALA 8 HB2 ALA 8 11.052 -8.449 2.393 712 HB3 ALA 8 HB3 ALA 8 12.368 -8.341 3.566 713 H ASN 9 H ASN 9 9.567 -6.312 1.637 714 HA ASN 9 HA ASN 9 10.177 -5.820 -1.153 715 HB2 ASN 9 HB2 ASN 9 7.516 -5.891 0.325 716 HB3 ASN 9 HB3 ASN 9 7.678 -5.710 -1.421 717 HD21 ASN 9 HD21 ASN 9 7.474 -7.950 1.121 718 HD22 ASN 9 HD22 ASN 9 7.856 -9.367 0.219 719 H ALA 10 H ALA 10 9.628 -3.813 1.624 720 HA ALA 10 HA ALA 10 8.851 -1.407 0.223 721 HB1 ALA 10 HB1 ALA 10 9.208 -0.290 2.384 722 HB2 ALA 10 HB2 ALA 10 9.954 -1.756 3.031 723 HB3 ALA 10 HB3 ALA 10 8.247 -1.759 2.581 724 H GLY 11 H GLY 11 11.858 -2.747 1.558 725 HA2 GLY 11 HA2 GLY 11 13.664 -0.700 0.847 726 HA3 GLY 11 HA3 GLY 11 14.067 -2.403 1.025 727 H LYS 12 H LYS 12 12.217 -3.281 -1.048 728 HA LYS 12 HA LYS 12 13.867 -3.107 -3.357 729 HB2 LYS 12 HB2 LYS 12 12.499 -5.083 -2.699 730 HB3 LYS 12 HB3 LYS 12 11.035 -4.185 -3.085 731 HG2 LYS 12 HG2 LYS 12 11.669 -4.097 -5.443 732 HG3 LYS 12 HG3 LYS 12 13.215 -4.874 -5.090 733 HD2 LYS 12 HD2 LYS 12 10.522 -6.202 -4.568 734 HD3 LYS 12 HD3 LYS 12 11.400 -6.374 -6.085 735 HE2 LYS 12 HE2 LYS 12 11.822 -8.318 -4.704 736 HE3 LYS 12 HE3 LYS 12 13.308 -7.383 -4.823 737 HZ1 LYS 12 HZ1 LYS 12 12.846 -8.230 -2.580 738 HZ2 LYS 12 HZ2 LYS 12 11.446 -7.288 -2.510 739 HZ3 LYS 12 HZ3 LYS 12 12.964 -6.547 -2.620 740 H VAL 13 H VAL 13 10.554 -1.776 -2.712 741 HA VAL 13 HA VAL 13 10.326 -0.402 -5.201 742 HB VAL 13 HB VAL 13 8.263 -0.892 -4.101 743 HG11 VAL 13 HG11 VAL 13 7.576 0.002 -1.899 744 HG12 VAL 13 HG12 VAL 13 9.174 0.729 -1.703 745 HG13 VAL 13 HG13 VAL 13 9.009 -1.025 -1.778 746 HG21 VAL 13 HG21 VAL 13 7.083 1.271 -4.005 747 HG22 VAL 13 HG22 VAL 13 8.228 1.254 -5.347 748 HG23 VAL 13 HG23 VAL 13 8.624 2.123 -3.865 749 H TRP 14 H TRP 14 11.600 0.675 -2.043 750 HA TRP 14 HA TRP 14 12.011 3.402 -2.862 751 HB2 TRP 14 HB2 TRP 14 11.860 2.559 -0.425 752 HB3 TRP 14 HB3 TRP 14 13.537 2.060 -0.597 753 HD1 TRP 14 HD1 TRP 14 11.361 5.259 -0.432 754 HE1 TRP 14 HE1 TRP 14 12.893 7.273 0.033 755 HE3 TRP 14 HE3 TRP 14 15.876 2.931 -0.783 756 HZ2 TRP 14 HZ2 TRP 14 15.654 7.801 0.241 757 HZ3 TRP 14 HZ3 TRP 14 17.934 4.246 -0.431 758 HH2 TRP 14 HH2 TRP 14 17.821 6.641 0.071 759 H HIS 15 H HIS 15 13.998 0.475 -2.993 760 HA HIS 15 HA HIS 15 16.456 1.594 -3.861 761 HB2 HIS 15 HB2 HIS 15 16.115 -0.787 -3.113 762 HB3 HIS 15 HB3 HIS 15 15.274 -1.118 -4.620 763 HD1 HIS 15 HD1 HIS 15 18.683 -0.520 -3.192 764 HD2 HIS 15 HD2 HIS 15 16.967 -1.519 -6.840 765 HE1 HIS 15 HE1 HIS 15 20.588 -1.237 -4.656 766 HE2 HIS 15 HE2 HIS 15 19.546 -1.712 -6.891 767 H ALA 16 H ALA 16 13.523 0.656 -5.610 768 HA ALA 16 HA ALA 16 14.367 1.197 -8.261 769 HB1 ALA 16 HB1 ALA 16 11.559 1.313 -7.108 770 HB2 ALA 16 HB2 ALA 16 12.354 -0.129 -7.742 771 HB3 ALA 16 HB3 ALA 16 11.973 1.212 -8.823 772 H LEU 17 H LEU 17 13.059 3.309 -5.727 773 HA LEU 17 HA LEU 17 12.710 5.685 -7.278 774 HB2 LEU 17 HB2 LEU 17 13.128 5.236 -4.305 775 HB3 LEU 17 HB3 LEU 17 12.814 6.826 -4.986 776 HG LEU 17 HG LEU 17 10.887 4.478 -5.259 777 HD11 LEU 17 HD11 LEU 17 11.109 5.061 -2.887 778 HD12 LEU 17 HD12 LEU 17 9.530 5.538 -3.509 779 HD13 LEU 17 HD13 LEU 17 10.782 6.759 -3.255 780 HD21 LEU 17 HD21 LEU 17 10.532 7.447 -5.798 781 HD22 LEU 17 HD22 LEU 17 9.271 6.222 -5.911 782 HD23 LEU 17 HD23 LEU 17 10.642 6.171 -7.012 783 H ASN 18 H ASN 18 15.380 4.550 -5.192 784 HA ASN 18 HA ASN 18 17.222 6.617 -5.492 785 HB2 ASN 18 HB2 ASN 18 17.495 4.791 -3.870 786 HB3 ASN 18 HB3 ASN 18 17.716 3.623 -5.167 787 HD21 ASN 18 HD21 ASN 18 19.728 3.539 -6.228 788 HD22 ASN 18 HD22 ASN 18 21.128 4.334 -5.610 789 H GLU 19 H GLU 19 16.618 3.846 -7.635 790 HA GLU 19 HA GLU 19 18.759 4.385 -9.490 791 HB2 GLU 19 HB2 GLU 19 17.903 2.108 -9.181 792 HB3 GLU 19 HB3 GLU 19 16.292 2.606 -9.672 793 HG2 GLU 19 HG2 GLU 19 17.448 1.332 -11.427 794 HG3 GLU 19 HG3 GLU 19 17.029 2.961 -11.953 795 H ALA 20 H ALA 20 15.211 4.835 -9.561 796 HA ALA 20 HA ALA 20 15.313 7.228 -11.146 797 HB1 ALA 20 HB1 ALA 20 15.657 5.563 -12.952 798 HB2 ALA 20 HB2 ALA 20 14.109 6.393 -13.138 799 HB3 ALA 20 HB3 ALA 20 14.159 4.749 -12.492 800 H ASP 21 H ASP 21 13.912 8.295 -9.770 801 HA ASP 21 HA ASP 21 11.485 7.036 -8.753 802 HB2 ASP 21 HB2 ASP 21 11.211 8.994 -7.383 803 HB3 ASP 21 HB3 ASP 21 12.914 8.561 -7.344 804 H GLY 22 H GLY 22 9.421 8.556 -8.788 805 HA2 GLY 22 HA2 GLY 22 7.797 9.715 -9.970 806 HA3 GLY 22 HA3 GLY 22 8.988 10.096 -11.207 807 H ILE 23 H ILE 23 7.218 7.298 -9.889 808 HA ILE 23 HA ILE 23 6.293 6.502 -12.539 809 HB ILE 23 HB ILE 23 8.504 5.406 -12.404 810 HG12 ILE 23 HG12 ILE 23 6.309 3.306 -12.104 811 HG13 ILE 23 HG13 ILE 23 6.595 4.231 -13.572 812 HG21 ILE 23 HG21 ILE 23 8.757 5.252 -9.970 813 HG22 ILE 23 HG22 ILE 23 9.036 3.681 -10.724 814 HG23 ILE 23 HG23 ILE 23 7.507 4.004 -9.902 815 HD11 ILE 23 HD11 ILE 23 8.821 3.215 -13.764 816 HD12 ILE 23 HD12 ILE 23 7.533 2.011 -13.737 817 HD13 ILE 23 HD13 ILE 23 8.511 2.281 -12.296 818 H SER 24 H SER 24 4.413 5.243 -12.476 819 HA SER 24 HA SER 24 2.813 5.355 -10.105 820 HB2 SER 24 HB2 SER 24 1.846 5.568 -12.386 821 HB3 SER 24 HB3 SER 24 2.257 3.886 -12.724 822 HG SER 24 HG SER 24 0.381 4.908 -10.859 823 H ILE 25 H ILE 25 1.896 3.599 -8.925 824 HA ILE 25 HA ILE 25 3.771 1.734 -8.020 825 HB ILE 25 HB ILE 25 0.785 1.912 -7.522 826 HG12 ILE 25 HG12 ILE 25 3.178 2.676 -5.772 827 HG13 ILE 25 HG13 ILE 25 2.187 3.804 -6.688 828 HG21 ILE 25 HG21 ILE 25 1.380 -0.429 -7.151 829 HG22 ILE 25 HG22 ILE 25 1.077 0.362 -5.608 830 HG23 ILE 25 HG23 ILE 25 2.735 0.046 -6.119 831 HD11 ILE 25 HD11 ILE 25 1.265 2.117 -4.356 832 HD12 ILE 25 HD12 ILE 25 0.256 3.234 -5.279 833 HD13 ILE 25 HD13 ILE 25 1.616 3.845 -4.339 834 HA PRO 26 HA PRO 26 1.316 -1.879 -10.396 835 HB2 PRO 26 HB2 PRO 26 0.049 -1.038 -12.756 836 HB3 PRO 26 HB3 PRO 26 -0.777 -1.360 -11.226 837 HG2 PRO 26 HG2 PRO 26 0.173 1.271 -12.352 838 HG3 PRO 26 HG3 PRO 26 -1.372 0.885 -11.560 839 HD2 PRO 26 HD2 PRO 26 0.554 2.143 -10.198 840 HD3 PRO 26 HD3 PRO 26 -0.412 0.876 -9.404 841 H GLU 27 H GLU 27 2.662 0.886 -12.193 842 HA GLU 27 HA GLU 27 3.860 -0.555 -14.329 843 HB2 GLU 27 HB2 GLU 27 4.459 2.197 -13.179 844 HB3 GLU 27 HB3 GLU 27 5.243 1.566 -14.626 845 HG2 GLU 27 HG2 GLU 27 2.255 1.992 -14.302 846 HG3 GLU 27 HG3 GLU 27 3.356 3.090 -15.131 847 H LEU 28 H LEU 28 5.296 0.755 -11.323 848 HA LEU 28 HA LEU 28 7.901 -0.322 -11.803 849 HB2 LEU 28 HB2 LEU 28 8.570 0.781 -9.901 850 HB3 LEU 28 HB3 LEU 28 7.089 1.651 -10.220 851 HG LEU 28 HG LEU 28 6.162 -0.338 -8.521 852 HD11 LEU 28 HD11 LEU 28 7.687 -0.566 -6.634 853 HD12 LEU 28 HD12 LEU 28 8.933 0.339 -7.490 854 HD13 LEU 28 HD13 LEU 28 8.408 -1.234 -8.096 855 HD21 LEU 28 HD21 LEU 28 7.229 2.361 -7.662 856 HD22 LEU 28 HD22 LEU 28 6.087 1.358 -6.763 857 HD23 LEU 28 HD23 LEU 28 5.626 2.034 -8.322 858 H ALA 29 H ALA 29 5.032 -1.539 -10.159 859 HA ALA 29 HA ALA 29 6.056 -3.663 -8.652 860 HB1 ALA 29 HB1 ALA 29 3.785 -4.623 -8.769 861 HB2 ALA 29 HB2 ALA 29 3.388 -3.527 -10.098 862 HB3 ALA 29 HB3 ALA 29 3.725 -2.878 -8.492 863 H ARG 30 H ARG 30 5.055 -3.578 -12.051 864 HA ARG 30 HA ARG 30 5.526 -6.238 -12.817 865 HB2 ARG 30 HB2 ARG 30 4.324 -4.518 -14.177 866 HB3 ARG 30 HB3 ARG 30 5.853 -3.692 -14.459 867 HG2 ARG 30 HG2 ARG 30 6.674 -5.762 -15.642 868 HG3 ARG 30 HG3 ARG 30 5.057 -6.448 -15.459 869 HD2 ARG 30 HD2 ARG 30 5.791 -3.933 -17.010 870 HD3 ARG 30 HD3 ARG 30 5.327 -5.492 -17.697 871 HE ARG 30 HE ARG 30 3.426 -4.012 -15.990 872 HH11 ARG 30 HH11 ARG 30 4.147 -5.361 -19.089 873 HH12 ARG 30 HH12 ARG 30 2.577 -5.008 -19.713 874 HH21 ARG 30 HH21 ARG 30 1.441 -3.564 -16.810 875 HH22 ARG 30 HH22 ARG 30 1.063 -4.004 -18.440 876 H LYS 31 H LYS 31 7.719 -3.468 -12.594 877 HA LYS 31 HA LYS 31 9.993 -4.686 -13.873 878 HB2 LYS 31 HB2 LYS 31 9.810 -2.176 -12.154 879 HB3 LYS 31 HB3 LYS 31 11.180 -2.622 -13.175 880 HG2 LYS 31 HG2 LYS 31 9.744 -2.439 -15.181 881 HG3 LYS 31 HG3 LYS 31 8.370 -2.006 -14.157 882 HD2 LYS 31 HD2 LYS 31 9.374 -0.007 -15.203 883 HD3 LYS 31 HD3 LYS 31 9.522 0.056 -13.444 884 HE2 LYS 31 HE2 LYS 31 11.603 0.794 -14.593 885 HE3 LYS 31 HE3 LYS 31 11.877 -0.632 -13.592 886 HZ1 LYS 31 HZ1 LYS 31 11.451 -0.677 -16.531 887 HZ2 LYS 31 HZ2 LYS 31 11.807 -2.006 -15.551 888 HZ3 LYS 31 HZ3 LYS 31 12.949 -0.783 -15.761 889 H VAL 32 H VAL 32 8.952 -4.319 -10.507 890 HA VAL 32 HA VAL 32 11.463 -5.474 -9.450 891 HB VAL 32 HB VAL 32 10.641 -4.850 -7.220 892 HG11 VAL 32 HG11 VAL 32 10.423 -2.532 -9.185 893 HG12 VAL 32 HG12 VAL 32 11.917 -3.169 -8.490 894 HG13 VAL 32 HG13 VAL 32 10.725 -2.390 -7.448 895 HG21 VAL 32 HG21 VAL 32 8.545 -3.566 -6.889 896 HG22 VAL 32 HG22 VAL 32 8.214 -5.173 -7.539 897 HG23 VAL 32 HG23 VAL 32 8.149 -3.766 -8.599 898 H ASN 33 H ASN 33 8.731 -6.689 -10.709 899 HA ASN 33 HA ASN 33 7.903 -8.786 -10.916 900 HB2 ASN 33 HB2 ASN 33 10.330 -9.445 -10.685 901 HB3 ASN 33 HB3 ASN 33 10.079 -9.666 -8.963 902 HD21 ASN 33 HD21 ASN 33 10.625 -11.848 -9.007 903 HD22 ASN 33 HD22 ASN 33 9.654 -13.054 -9.766 904 H LEU 34 H LEU 34 7.306 -6.949 -8.403 905 HA LEU 34 HA LEU 34 5.934 -8.889 -6.650 906 HB2 LEU 34 HB2 LEU 34 6.053 -5.854 -6.369 907 HB3 LEU 34 HB3 LEU 34 5.510 -7.006 -5.158 908 HG LEU 34 HG LEU 34 8.369 -6.620 -6.134 909 HD11 LEU 34 HD11 LEU 34 7.120 -6.029 -3.427 910 HD12 LEU 34 HD12 LEU 34 7.592 -4.837 -4.643 911 HD13 LEU 34 HD13 LEU 34 8.823 -5.825 -3.861 912 HD21 LEU 34 HD21 LEU 34 7.329 -8.614 -4.087 913 HD22 LEU 34 HD22 LEU 34 9.030 -8.282 -4.431 914 HD23 LEU 34 HD23 LEU 34 8.008 -8.994 -5.674 915 H SER 35 H SER 35 3.645 -8.779 -6.273 916 HA SER 35 HA SER 35 1.909 -7.848 -8.330 917 HB2 SER 35 HB2 SER 35 1.248 -8.549 -5.431 918 HB3 SER 35 HB3 SER 35 0.074 -8.393 -6.745 919 HG SER 35 HG SER 35 1.415 -10.107 -7.799 920 H VAL 36 H VAL 36 0.393 -6.059 -8.274 921 HA VAL 36 HA VAL 36 1.339 -3.540 -7.588 922 HB VAL 36 HB VAL 36 -1.586 -4.357 -7.808 923 HG11 VAL 36 HG11 VAL 36 -0.352 -1.597 -8.135 924 HG12 VAL 36 HG12 VAL 36 -1.412 -2.128 -6.821 925 HG13 VAL 36 HG13 VAL 36 -2.040 -2.008 -8.465 926 HG21 VAL 36 HG21 VAL 36 -1.430 -3.738 -10.194 927 HG22 VAL 36 HG22 VAL 36 -0.322 -5.051 -9.797 928 HG23 VAL 36 HG23 VAL 36 0.296 -3.410 -9.999 929 H GLU 37 H GLU 37 -0.916 -5.580 -5.775 930 HA GLU 37 HA GLU 37 -1.439 -3.990 -3.524 931 HB2 GLU 37 HB2 GLU 37 -1.260 -7.027 -3.722 932 HB3 GLU 37 HB3 GLU 37 -2.054 -6.140 -2.418 933 HG2 GLU 37 HG2 GLU 37 -3.698 -5.230 -3.994 934 HG3 GLU 37 HG3 GLU 37 -2.867 -6.014 -5.339 935 H SER 38 H SER 38 1.138 -6.444 -3.979 936 HA SER 38 HA SER 38 2.336 -6.380 -1.433 937 HB2 SER 38 HB2 SER 38 3.585 -7.020 -4.135 938 HB3 SER 38 HB3 SER 38 4.367 -7.338 -2.583 939 HG SER 38 HG SER 38 1.902 -8.426 -3.479 940 H THR 39 H THR 39 3.055 -4.446 -4.315 941 HA THR 39 HA THR 39 5.305 -3.047 -3.235 942 HB THR 39 HB THR 39 3.519 -2.405 -5.620 943 HG1 THR 39 HG1 THR 39 5.565 -3.220 -6.682 944 HG21 THR 39 HG21 THR 39 6.235 -1.232 -4.908 945 HG22 THR 39 HG22 THR 39 4.700 -0.358 -4.937 946 HG23 THR 39 HG23 THR 39 5.384 -0.988 -6.436 947 H ALA 40 H ALA 40 1.842 -2.235 -3.568 948 HA ALA 40 HA ALA 40 2.059 0.547 -3.107 949 HB1 ALA 40 HB1 ALA 40 -0.388 0.530 -3.021 950 HB2 ALA 40 HB2 ALA 40 -0.379 -1.228 -2.847 951 HB3 ALA 40 HB3 ALA 40 0.208 -0.488 -4.334 952 H LEU 41 H LEU 41 0.929 -2.026 -0.850 953 HA LEU 41 HA LEU 41 0.621 -0.174 1.337 954 HB2 LEU 41 HB2 LEU 41 -0.292 -1.859 2.603 955 HB3 LEU 41 HB3 LEU 41 -0.602 -2.458 1.000 956 HG LEU 41 HG LEU 41 -0.058 -4.352 2.272 957 HD11 LEU 41 HD11 LEU 41 1.081 -4.451 0.157 958 HD12 LEU 41 HD12 LEU 41 1.997 -5.296 1.399 959 HD13 LEU 41 HD13 LEU 41 2.515 -3.697 0.853 960 HD21 LEU 41 HD21 LEU 41 1.810 -4.608 3.804 961 HD22 LEU 41 HD22 LEU 41 0.806 -3.234 4.258 962 HD23 LEU 41 HD23 LEU 41 2.354 -2.965 3.454 963 H ALA 42 H ALA 42 3.295 -2.042 0.150 964 HA ALA 42 HA ALA 42 5.042 -1.865 2.394 965 HB1 ALA 42 HB1 ALA 42 5.387 -3.482 0.571 966 HB2 ALA 42 HB2 ALA 42 6.822 -2.482 0.812 967 HB3 ALA 42 HB3 ALA 42 5.738 -2.161 -0.545 968 H VAL 43 H VAL 43 4.300 0.393 -0.236 969 HA VAL 43 HA VAL 43 6.264 2.358 0.224 970 HB VAL 43 HB VAL 43 3.357 2.788 -0.611 971 HG11 VAL 43 HG11 VAL 43 5.737 4.651 -0.987 972 HG12 VAL 43 HG12 VAL 43 4.382 4.913 0.114 973 HG13 VAL 43 HG13 VAL 43 4.113 4.912 -1.629 974 HG21 VAL 43 HG21 VAL 43 4.209 2.771 -2.944 975 HG22 VAL 43 HG22 VAL 43 4.501 1.230 -2.137 976 HG23 VAL 43 HG23 VAL 43 5.826 2.378 -2.353 977 H GLY 44 H GLY 44 3.291 1.631 1.999 978 HA2 GLY 44 HA2 GLY 44 3.235 3.836 3.787 979 HA3 GLY 44 HA3 GLY 44 2.513 2.263 4.070 980 H TRP 45 H TRP 45 5.078 0.802 3.890 981 HA TRP 45 HA TRP 45 6.154 1.136 6.532 982 HB2 TRP 45 HB2 TRP 45 6.087 -1.055 5.353 983 HB3 TRP 45 HB3 TRP 45 7.244 -0.458 4.170 984 HD1 TRP 45 HD1 TRP 45 9.831 -0.481 4.887 985 HE1 TRP 45 HE1 TRP 45 11.085 -1.535 6.860 986 HE3 TRP 45 HE3 TRP 45 5.859 -1.467 7.938 987 HZ2 TRP 45 HZ2 TRP 45 10.500 -2.637 9.375 988 HZ3 TRP 45 HZ3 TRP 45 6.302 -2.516 10.135 989 HH2 TRP 45 HH2 TRP 45 8.573 -3.086 10.837 990 H LEU 46 H LEU 46 7.116 2.310 3.329 991 HA LEU 46 HA LEU 46 9.567 3.563 4.172 992 HB2 LEU 46 HB2 LEU 46 7.762 4.281 1.827 993 HB3 LEU 46 HB3 LEU 46 9.439 4.779 2.032 994 HG LEU 46 HG LEU 46 8.475 1.917 1.604 995 HD11 LEU 46 HD11 LEU 46 9.560 2.057 -0.587 996 HD12 LEU 46 HD12 LEU 46 9.972 3.750 -0.296 997 HD13 LEU 46 HD13 LEU 46 8.276 3.260 -0.430 998 HD21 LEU 46 HD21 LEU 46 10.462 1.965 3.039 999 HD22 LEU 46 HD22 LEU 46 11.316 2.967 1.863 1000 HD23 LEU 46 HD23 LEU 46 10.857 1.313 1.451 1001 H ALA 47 H ALA 47 6.190 4.577 3.968 1002 HA ALA 47 HA ALA 47 6.425 7.284 4.663 1003 HB1 ALA 47 HB1 ALA 47 4.021 7.210 5.114 1004 HB2 ALA 47 HB2 ALA 47 4.064 5.445 5.154 1005 HB3 ALA 47 HB3 ALA 47 4.407 6.303 3.651 1006 H ARG 48 H ARG 48 6.396 4.419 6.851 1007 HA ARG 48 HA ARG 48 6.031 5.833 9.294 1008 HB2 ARG 48 HB2 ARG 48 6.848 3.912 10.448 1009 HB3 ARG 48 HB3 ARG 48 6.132 3.253 8.979 1010 HG2 ARG 48 HG2 ARG 48 8.375 3.116 7.967 1011 HG3 ARG 48 HG3 ARG 48 9.081 3.767 9.431 1012 HD2 ARG 48 HD2 ARG 48 8.351 1.759 10.673 1013 HD3 ARG 48 HD3 ARG 48 7.666 1.099 9.178 1014 HE ARG 48 HE ARG 48 9.989 1.292 8.237 1015 HH11 ARG 48 HH11 ARG 48 9.542 0.738 11.625 1016 HH12 ARG 48 HH12 ARG 48 11.138 0.123 11.829 1017 HH21 ARG 48 HH21 ARG 48 12.004 0.524 8.524 1018 HH22 ARG 48 HH22 ARG 48 12.517 -0.009 10.087 1019 H GLU 49 H GLU 49 8.855 5.405 7.244 1020 HA GLU 49 HA GLU 49 10.712 6.768 9.059 1021 HB2 GLU 49 HB2 GLU 49 11.109 5.354 6.386 1022 HB3 GLU 49 HB3 GLU 49 12.413 6.096 7.306 1023 HG2 GLU 49 HG2 GLU 49 12.225 4.495 9.069 1024 HG3 GLU 49 HG3 GLU 49 10.680 3.905 8.474 1025 H ASN 50 H ASN 50 8.552 7.643 6.634 1026 HA ASN 50 HA ASN 50 8.063 9.524 5.496 1027 HB2 ASN 50 HB2 ASN 50 8.650 10.482 7.831 1028 HB3 ASN 50 HB3 ASN 50 10.188 10.972 7.142 1029 HD21 ASN 50 HD21 ASN 50 10.201 12.690 5.623 1030 HD22 ASN 50 HD22 ASN 50 8.849 13.743 5.426 1031 H LYS 51 H LYS 51 10.059 7.739 4.392 1032 HA LYS 51 HA LYS 51 12.148 9.337 3.118 1033 HB2 LYS 51 HB2 LYS 51 11.438 6.394 2.838 1034 HB3 LYS 51 HB3 LYS 51 12.842 7.164 2.096 1035 HG2 LYS 51 HG2 LYS 51 13.726 7.712 4.341 1036 HG3 LYS 51 HG3 LYS 51 12.326 6.926 5.081 1037 HD2 LYS 51 HD2 LYS 51 14.483 5.594 3.386 1038 HD3 LYS 51 HD3 LYS 51 14.248 5.416 5.129 1039 HE2 LYS 51 HE2 LYS 51 11.987 4.402 4.641 1040 HE3 LYS 51 HE3 LYS 51 12.395 4.445 2.923 1041 HZ1 LYS 51 HZ1 LYS 51 12.838 2.299 3.842 1042 HZ2 LYS 51 HZ2 LYS 51 13.824 2.952 5.049 1043 HZ3 LYS 51 HZ3 LYS 51 14.303 3.023 3.426 1044 H VAL 52 H VAL 52 8.916 8.755 2.375 1045 HA VAL 52 HA VAL 52 9.352 9.221 -0.520 1046 HB VAL 52 HB VAL 52 7.199 7.985 -0.967 1047 HG11 VAL 52 HG11 VAL 52 9.391 6.321 0.334 1048 HG12 VAL 52 HG12 VAL 52 9.367 6.884 -1.340 1049 HG13 VAL 52 HG13 VAL 52 8.164 5.719 -0.786 1050 HG21 VAL 52 HG21 VAL 52 6.165 8.119 1.283 1051 HG22 VAL 52 HG22 VAL 52 7.427 7.077 1.943 1052 HG23 VAL 52 HG23 VAL 52 6.287 6.437 0.757 1053 H VAL 53 H VAL 53 8.140 10.704 -1.525 1054 HA VAL 53 HA VAL 53 5.848 11.999 -0.164 1055 HB VAL 53 HB VAL 53 6.300 13.994 -1.749 1056 HG11 VAL 53 HG11 VAL 53 8.392 13.440 0.402 1057 HG12 VAL 53 HG12 VAL 53 6.786 14.117 0.678 1058 HG13 VAL 53 HG13 VAL 53 7.976 15.028 -0.251 1059 HG21 VAL 53 HG21 VAL 53 9.039 12.677 -2.017 1060 HG22 VAL 53 HG22 VAL 53 8.612 14.290 -2.598 1061 HG23 VAL 53 HG23 VAL 53 7.854 12.867 -3.312 1062 H ILE 54 H ILE 54 3.922 11.816 -1.237 1063 HA ILE 54 HA ILE 54 3.929 10.316 -3.801 1064 HB ILE 54 HB ILE 54 1.846 10.341 -1.570 1065 HG12 ILE 54 HG12 ILE 54 3.804 8.150 -2.423 1066 HG13 ILE 54 HG13 ILE 54 3.949 9.135 -0.971 1067 HG21 ILE 54 HG21 ILE 54 0.742 10.018 -3.747 1068 HG22 ILE 54 HG22 ILE 54 0.701 8.526 -2.811 1069 HG23 ILE 54 HG23 ILE 54 1.852 8.701 -4.137 1070 HD11 ILE 54 HD11 ILE 54 3.123 6.941 -0.444 1071 HD12 ILE 54 HD12 ILE 54 1.775 7.138 -1.562 1072 HD13 ILE 54 HD13 ILE 54 1.876 8.144 -0.114 1073 H GLU 55 H GLU 55 2.801 11.072 -5.521 1074 HA GLU 55 HA GLU 55 0.944 13.355 -5.229 1075 HB2 GLU 55 HB2 GLU 55 3.093 13.122 -7.395 1076 HB3 GLU 55 HB3 GLU 55 1.887 14.402 -7.276 1077 HG2 GLU 55 HG2 GLU 55 2.909 15.110 -5.113 1078 HG3 GLU 55 HG3 GLU 55 4.146 13.871 -5.316 1079 H ARG 56 H ARG 56 -0.995 12.846 -6.148 1080 HA ARG 56 HA ARG 56 -1.076 10.847 -8.339 1081 HB2 ARG 56 HB2 ARG 56 -3.507 10.541 -7.739 1082 HB3 ARG 56 HB3 ARG 56 -2.364 10.049 -6.498 1083 HG2 ARG 56 HG2 ARG 56 -2.804 12.274 -5.364 1084 HG3 ARG 56 HG3 ARG 56 -4.134 12.504 -6.506 1085 HD2 ARG 56 HD2 ARG 56 -4.978 11.600 -4.383 1086 HD3 ARG 56 HD3 ARG 56 -5.180 10.406 -5.665 1087 HE ARG 56 HE ARG 56 -3.708 9.025 -4.586 1088 HH11 ARG 56 HH11 ARG 56 -3.492 12.127 -3.054 1089 HH12 ARG 56 HH12 ARG 56 -2.350 11.570 -1.877 1090 HH21 ARG 56 HH21 ARG 56 -2.260 8.351 -3.030 1091 HH22 ARG 56 HH22 ARG 56 -1.676 9.487 -1.858 1092 H LYS 57 H LYS 57 -1.323 11.578 -10.270 1093 HA LYS 57 HA LYS 57 -2.477 14.265 -10.841 1094 HB2 LYS 57 HB2 LYS 57 -0.255 12.743 -12.289 1095 HB3 LYS 57 HB3 LYS 57 -1.004 14.193 -12.932 1096 HG2 LYS 57 HG2 LYS 57 1.079 14.847 -12.013 1097 HG3 LYS 57 HG3 LYS 57 -0.160 15.440 -10.910 1098 HD2 LYS 57 HD2 LYS 57 1.814 14.517 -9.714 1099 HD3 LYS 57 HD3 LYS 57 0.336 13.639 -9.326 1100 HE2 LYS 57 HE2 LYS 57 2.244 12.103 -9.643 1101 HE3 LYS 57 HE3 LYS 57 0.996 11.825 -10.857 1102 HZ1 LYS 57 HZ1 LYS 57 3.147 11.789 -11.860 1103 HZ2 LYS 57 HZ2 LYS 57 3.527 13.317 -11.246 1104 HZ3 LYS 57 HZ3 LYS 57 2.321 13.154 -12.410 1105 H ASN 58 H ASN 58 -4.236 14.290 -12.181 1106 HA ASN 58 HA ASN 58 -6.043 13.608 -13.388 1107 HB2 ASN 58 HB2 ASN 58 -4.041 11.731 -14.728 1108 HB3 ASN 58 HB3 ASN 58 -5.628 12.138 -15.372 1109 HD21 ASN 58 HD21 ASN 58 -2.946 12.520 -16.498 1110 HD22 ASN 58 HD22 ASN 58 -2.812 14.203 -16.850 1111 H GLY 59 H GLY 59 -5.531 12.280 -10.832 1112 HA2 GLY 59 HA2 GLY 59 -6.584 10.626 -9.577 1113 HA3 GLY 59 HA3 GLY 59 -7.179 9.886 -11.054 1114 H LEU 60 H LEU 60 -4.174 10.034 -11.974 1115 HA LEU 60 HA LEU 60 -3.551 7.282 -11.332 1116 HB2 LEU 60 HB2 LEU 60 -3.204 8.253 -13.611 1117 HB3 LEU 60 HB3 LEU 60 -2.002 9.351 -12.953 1118 HG LEU 60 HG LEU 60 -0.650 7.263 -12.278 1119 HD11 LEU 60 HD11 LEU 60 -2.432 5.599 -12.399 1120 HD12 LEU 60 HD12 LEU 60 -1.107 5.174 -13.481 1121 HD13 LEU 60 HD13 LEU 60 -2.593 5.867 -14.138 1122 HD21 LEU 60 HD21 LEU 60 0.035 8.658 -14.160 1123 HD22 LEU 60 HD22 LEU 60 -1.073 7.803 -15.237 1124 HD23 LEU 60 HD23 LEU 60 0.309 6.956 -14.538 1125 H ILE 61 H ILE 61 -2.522 6.776 -9.456 1126 HA ILE 61 HA ILE 61 -1.070 8.802 -7.951 1127 HB ILE 61 HB ILE 61 -1.442 5.885 -7.143 1128 HG12 ILE 61 HG12 ILE 61 -3.323 8.242 -6.659 1129 HG13 ILE 61 HG13 ILE 61 -3.671 6.820 -7.636 1130 HG21 ILE 61 HG21 ILE 61 -0.977 8.390 -5.462 1131 HG22 ILE 61 HG22 ILE 61 0.246 7.170 -5.841 1132 HG23 ILE 61 HG23 ILE 61 -1.145 6.741 -4.846 1133 HD11 ILE 61 HD11 ILE 61 -3.283 6.909 -4.654 1134 HD12 ILE 61 HD12 ILE 61 -3.556 5.441 -5.599 1135 HD13 ILE 61 HD13 ILE 61 -4.795 6.693 -5.531 1136 H GLU 62 H GLU 62 1.067 9.040 -7.939 1137 HA GLU 62 HA GLU 62 2.863 6.858 -8.804 1138 HB2 GLU 62 HB2 GLU 62 3.234 9.800 -9.558 1139 HB3 GLU 62 HB3 GLU 62 4.322 8.470 -9.960 1140 HG2 GLU 62 HG2 GLU 62 2.221 7.464 -11.176 1141 HG3 GLU 62 HG3 GLU 62 1.603 9.110 -11.103 1142 H ILE 63 H ILE 63 4.875 6.798 -7.769 1143 HA ILE 63 HA ILE 63 4.965 8.274 -5.206 1144 HB ILE 63 HB ILE 63 6.494 6.270 -4.474 1145 HG12 ILE 63 HG12 ILE 63 5.775 4.058 -5.591 1146 HG13 ILE 63 HG13 ILE 63 5.113 5.015 -6.907 1147 HG21 ILE 63 HG21 ILE 63 4.511 4.984 -3.737 1148 HG22 ILE 63 HG22 ILE 63 3.506 5.873 -4.883 1149 HG23 ILE 63 HG23 ILE 63 4.274 6.723 -3.541 1150 HD11 ILE 63 HD11 ILE 63 7.262 4.069 -7.461 1151 HD12 ILE 63 HD12 ILE 63 8.005 4.883 -6.087 1152 HD13 ILE 63 HD13 ILE 63 7.351 5.826 -7.429 1153 H TYR 64 H TYR 64 6.767 9.256 -4.493 1154 HA TYR 64 HA TYR 64 9.152 9.490 -6.243 1155 HB2 TYR 64 HB2 TYR 64 7.692 11.792 -4.849 1156 HB3 TYR 64 HB3 TYR 64 9.185 11.947 -5.758 1157 HD1 TYR 64 HD2 TYR 64 5.532 11.266 -6.058 1158 HD2 TYR 64 HD1 TYR 64 9.134 12.154 -8.190 1159 HE1 TYR 64 HE2 TYR 64 4.225 11.672 -8.100 1160 HE2 TYR 64 HE1 TYR 64 7.821 12.564 -10.227 1161 HH TYR 64 HH TYR 64 5.624 11.866 -11.162 1162 H ASN 65 H ASN 65 11.104 10.206 -5.027 1163 HA ASN 65 HA ASN 65 11.033 9.489 -2.143 1164 HB2 ASN 65 HB2 ASN 65 13.465 9.082 -2.352 1165 HB3 ASN 65 HB3 ASN 65 12.555 8.088 -3.482 1166 HD21 ASN 65 HD21 ASN 65 15.277 8.606 -3.732 1167 HD22 ASN 65 HD22 ASN 65 15.535 9.514 -5.176 1168 H GLU 66 H GLU 66 12.195 10.858 -0.632 1169 HA GLU 66 HA GLU 66 12.027 13.684 -1.213 1170 HB2 GLU 66 HB2 GLU 66 13.079 13.869 1.194 1171 HB3 GLU 66 HB3 GLU 66 11.432 13.305 0.998 1172 HG2 GLU 66 HG2 GLU 66 12.652 12.015 2.696 1173 HG3 GLU 66 HG3 GLU 66 12.094 11.010 1.366 1174 H GLY 67 H GLY 67 14.557 11.360 -1.491 1175 HA2 GLY 67 HA2 GLY 67 16.880 12.948 -1.327 1176 HA3 GLY 67 HA3 GLY 67 16.707 11.487 -2.283 1177 H HIS 68 H HIS 68 14.614 12.466 -4.017 1178 HA HIS 68 HA HIS 68 16.065 13.932 -6.007 1179 HB2 HIS 68 HB2 HIS 68 14.368 12.330 -6.686 1180 HB3 HIS 68 HB3 HIS 68 13.129 13.163 -5.753 1181 HD1 HIS 68 HD1 HIS 68 15.538 14.563 -8.364 1182 HD2 HIS 68 HD2 HIS 68 11.467 14.168 -7.651 1183 HE1 HIS 68 HE1 HIS 68 14.413 15.850 -10.195 1184 HE2 HIS 68 HE2 HIS 68 11.960 15.701 -9.672 1185 H PHE 69 H PHE 69 13.672 14.828 -3.569 1186 HA PHE 69 HA PHE 69 13.426 17.598 -4.500 1187 HB2 PHE 69 HB2 PHE 69 12.142 16.150 -2.139 1188 HB3 PHE 69 HB3 PHE 69 11.819 17.822 -2.577 1189 HD1 PHE 69 HD2 PHE 69 11.796 14.425 -4.217 1190 HD2 PHE 69 HD1 PHE 69 9.848 18.213 -3.817 1191 HE1 PHE 69 HE2 PHE 69 9.997 13.660 -5.702 1192 HE2 PHE 69 HE1 PHE 69 8.047 17.432 -5.305 1193 HZ PHE 69 HZ PHE 69 8.119 15.157 -6.244 1194 H ASP 70 H ASP 70 15.560 18.352 -4.169 1195 HA ASP 70 HA ASP 70 16.309 18.982 -1.379 1196 HB2 ASP 70 HB2 ASP 70 17.534 16.898 -2.088 1197 HB3 ASP 70 HB3 ASP 70 18.243 17.787 -3.429 1198 H PHE 71 H PHE 71 17.082 21.066 -1.163 1199 HA PHE 71 HA PHE 71 17.763 22.632 -3.606 1200 HB2 PHE 71 HB2 PHE 71 16.062 23.653 -1.279 1201 HB3 PHE 71 HB3 PHE 71 16.459 24.534 -2.750 1202 HD1 PHE 71 HD1 PHE 71 15.521 23.676 -4.986 1203 HD2 PHE 71 HD2 PHE 71 14.134 22.221 -1.208 1204 HE1 PHE 71 HE1 PHE 71 13.496 22.786 -6.065 1205 HE2 PHE 71 HE2 PHE 71 12.110 21.343 -2.297 1206 HZ PHE 71 HZ PHE 71 11.792 21.621 -4.723 1207 H SER 72 H SER 72 19.512 21.361 -1.577 1208 HA SER 72 HA SER 72 20.432 23.245 0.362 1209 HB2 SER 72 HB2 SER 72 20.769 20.836 0.676 1210 HB3 SER 72 HB3 SER 72 21.822 20.762 -0.737 1211 HG SER 72 HG SER 72 22.300 21.907 1.799 1212 H PHE 73 H PHE 73 22.137 22.072 -2.592 1213 HA PHE 73 HA PHE 73 24.137 24.156 -2.478 1214 HB2 PHE 73 HB2 PHE 73 23.567 21.985 -4.536 1215 HB3 PHE 73 HB3 PHE 73 24.888 23.134 -4.698 1216 HD1 PHE 73 HD2 PHE 73 26.764 23.135 -3.024 1217 HD2 PHE 73 HD1 PHE 73 23.781 20.067 -3.061 1218 HE1 PHE 73 HE2 PHE 73 28.227 21.690 -1.675 1219 HE2 PHE 73 HE1 PHE 73 25.253 18.633 -1.710 1220 HZ PHE 73 HZ PHE 73 27.475 19.439 -1.018 1221 H GLY 74 H GLY 74 24.681 25.303 -4.660 1222 HA2 GLY 74 HA2 GLY 74 24.042 26.827 -6.317 1223 HA3 GLY 74 HA3 GLY 74 22.347 26.497 -5.981 1224 H LEU 75 H LEU 75 25.222 27.843 -4.356 1225 HA LEU 75 HA LEU 75 23.568 29.980 -3.142 1226 HB2 LEU 75 HB2 LEU 75 24.924 29.910 -1.122 1227 HB3 LEU 75 HB3 LEU 75 24.211 28.335 -1.405 1228 HG LEU 75 HG LEU 75 27.113 28.965 -2.117 1229 HD11 LEU 75 HD11 LEU 75 26.824 29.330 0.291 1230 HD12 LEU 75 HD12 LEU 75 27.797 27.897 -0.025 1231 HD13 LEU 75 HD13 LEU 75 26.108 27.723 0.464 1232 HD21 LEU 75 HD21 LEU 75 25.713 26.293 -1.707 1233 HD22 LEU 75 HD22 LEU 75 27.423 26.523 -2.088 1234 HD23 LEU 75 HD23 LEU 75 26.191 26.985 -3.261 1235 H GLU 76 H GLU 76 24.486 32.018 -2.985 1236 HA GLU 76 HA GLU 76 26.501 32.731 -4.928 1237 HB2 GLU 76 HB2 GLU 76 24.514 34.167 -4.475 1238 HB3 GLU 76 HB3 GLU 76 25.081 34.432 -2.829 1239 HG2 GLU 76 HG2 GLU 76 27.155 35.507 -3.823 1240 HG3 GLU 76 HG3 GLU 76 26.374 35.392 -5.400 1241 H HIS 77 H HIS 77 28.649 33.048 -4.566 1242 HA HIS 77 HA HIS 77 29.796 32.855 -1.875 1243 HB2 HIS 77 HB2 HIS 77 31.213 33.147 -4.568 1244 HB3 HIS 77 HB3 HIS 77 31.972 32.741 -3.030 1245 HD1 HIS 77 HD1 HIS 77 31.464 30.343 -2.062 1246 HD2 HIS 77 HD2 HIS 77 30.085 31.008 -5.928 1247 HE1 HIS 77 HE1 HIS 77 30.891 28.074 -2.970 1248 HE2 HIS 77 HE2 HIS 77 30.268 28.489 -5.370 1249 H HIS 78 H HIS 78 30.308 35.047 -4.669 1250 HA HIS 78 HA HIS 78 30.667 37.243 -4.942 1251 HB2 HIS 78 HB2 HIS 78 28.321 37.287 -4.064 1252 HB3 HIS 78 HB3 HIS 78 28.951 37.581 -2.449 1253 HD1 HIS 78 HD1 HIS 78 30.358 39.921 -2.236 1254 HD2 HIS 78 HD2 HIS 78 27.808 39.554 -5.494 1255 HE1 HIS 78 HE1 HIS 78 29.961 42.267 -3.042 1256 HE2 HIS 78 HE2 HIS 78 28.507 42.009 -5.075 1257 H HIS 79 H HIS 79 32.908 37.218 -4.590 1258 HA HIS 79 HA HIS 79 34.157 37.553 -2.044 1259 HB2 HIS 79 HB2 HIS 79 36.247 37.929 -3.327 1260 HB3 HIS 79 HB3 HIS 79 35.375 36.515 -3.895 1261 HD1 HIS 79 HD1 HIS 79 37.009 39.498 -5.104 1262 HD2 HIS 79 HD2 HIS 79 33.882 37.098 -6.424 1263 HE1 HIS 79 HE1 HIS 79 36.760 40.003 -7.545 1264 HE2 HIS 79 HE2 HIS 79 34.803 38.624 -8.297 1265 H HIS 80 H HIS 80 34.781 39.362 -0.963 1266 HA HIS 80 HA HIS 80 33.698 41.963 -1.877 1267 HB2 HIS 80 HB2 HIS 80 32.742 40.944 0.211 1268 HB3 HIS 80 HB3 HIS 80 34.332 41.003 0.957 1269 HD1 HIS 80 HD1 HIS 80 34.724 43.025 2.354 1270 HD2 HIS 80 HD2 HIS 80 31.802 43.686 -0.528 1271 HE1 HIS 80 HE1 HIS 80 33.858 45.334 2.800 1272 HE2 HIS 80 HE2 HIS 80 32.283 45.790 0.903 1273 H HIS 81 H HIS 81 35.121 43.577 -2.337 1274 HA HIS 81 HA HIS 81 37.952 43.386 -1.866 1275 HB2 HIS 81 HB2 HIS 81 37.131 44.548 -3.862 1276 HB3 HIS 81 HB3 HIS 81 36.240 45.701 -2.875 1277 HD1 HIS 81 HD1 HIS 81 37.416 47.860 -2.511 1278 HD2 HIS 81 HD2 HIS 81 40.104 44.798 -3.327 1279 HE1 HIS 81 HE1 HIS 81 39.672 48.950 -2.551 1280 HE2 HIS 81 HE2 HIS 81 41.285 47.081 -3.021 1281 H HIS 82 H HIS 82 39.130 44.175 -0.191 1282 HA HIS 82 HA HIS 82 37.850 45.688 1.985 1283 HB2 HIS 82 HB2 HIS 82 39.159 43.650 2.558 1284 HB3 HIS 82 HB3 HIS 82 40.597 44.362 1.838 1285 HD1 HIS 82 HD1 HIS 82 41.924 46.024 3.262 1286 HD2 HIS 82 HD2 HIS 82 38.374 44.820 5.061 1287 HE1 HIS 82 HE1 HIS 82 42.043 46.879 5.618 1288 HE2 HIS 82 HE2 HIS 82 39.940 46.054 6.714 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -0.173 16.048 -2.580 2 H2 MET 1 H2 MET 1 -1.397 17.116 -2.117 3 H3 MET 1 H3 MET 1 -1.673 16.004 -3.358 4 HA MET 1 HA MET 1 -2.745 15.339 -1.314 5 HB2 MET 1 HB2 MET 1 -2.038 13.611 -2.913 6 HB3 MET 1 HB3 MET 1 -0.436 13.553 -2.193 7 HG2 MET 1 HG2 MET 1 -1.355 12.629 -0.137 8 HG3 MET 1 HG3 MET 1 -2.998 12.784 -0.767 9 HE1 MET 1 HE1 MET 1 -3.321 10.183 -0.072 10 HE2 MET 1 HE2 MET 1 -1.631 10.049 0.423 11 HE3 MET 1 HE3 MET 1 -2.313 8.882 -0.709 12 H ASP 2 H ASP 2 -2.648 16.100 0.723 13 HA ASP 2 HA ASP 2 -0.314 16.623 2.245 14 HB2 ASP 2 HB2 ASP 2 -3.189 16.230 3.194 15 HB3 ASP 2 HB3 ASP 2 -1.890 16.919 4.163 16 H LYS 3 H LYS 3 0.414 15.639 4.160 17 HA LYS 3 HA LYS 3 0.675 12.817 4.246 18 HB2 LYS 3 HB2 LYS 3 2.354 14.415 5.159 19 HB3 LYS 3 HB3 LYS 3 1.222 14.902 6.410 20 HG2 LYS 3 HG2 LYS 3 2.896 13.404 7.334 21 HG3 LYS 3 HG3 LYS 3 1.308 12.621 7.374 22 HD2 LYS 3 HD2 LYS 3 1.923 11.387 5.274 23 HD3 LYS 3 HD3 LYS 3 3.529 12.123 5.347 24 HE2 LYS 3 HE2 LYS 3 3.906 11.033 7.542 25 HE3 LYS 3 HE3 LYS 3 2.310 10.278 7.427 26 HZ1 LYS 3 HZ1 LYS 3 4.566 9.866 5.553 27 HZ2 LYS 3 HZ2 LYS 3 3.044 9.141 5.434 28 HZ3 LYS 3 HZ3 LYS 3 4.051 8.783 6.741 29 H LYS 4 H LYS 4 -1.698 14.977 5.618 30 HA LYS 4 HA LYS 4 -2.670 13.223 7.682 31 HB2 LYS 4 HB2 LYS 4 -3.883 15.722 6.450 32 HB3 LYS 4 HB3 LYS 4 -4.481 14.927 7.905 33 HG2 LYS 4 HG2 LYS 4 -1.755 16.223 7.564 34 HG3 LYS 4 HG3 LYS 4 -3.131 16.916 8.427 35 HD2 LYS 4 HD2 LYS 4 -1.652 14.364 9.188 36 HD3 LYS 4 HD3 LYS 4 -1.455 15.936 9.966 37 HE2 LYS 4 HE2 LYS 4 -4.019 14.299 9.912 38 HE3 LYS 4 HE3 LYS 4 -2.921 14.449 11.282 39 HZ1 LYS 4 HZ1 LYS 4 -4.823 15.911 11.506 40 HZ2 LYS 4 HZ2 LYS 4 -4.445 16.688 10.049 41 HZ3 LYS 4 HZ3 LYS 4 -3.401 16.810 11.372 42 H ILE 5 H ILE 5 -3.377 13.617 4.296 43 HA ILE 5 HA ILE 5 -6.040 12.725 4.159 44 HB ILE 5 HB ILE 5 -3.822 12.542 2.075 45 HG12 ILE 5 HG12 ILE 5 -6.065 14.575 2.498 46 HG13 ILE 5 HG13 ILE 5 -4.350 14.852 2.779 47 HG21 ILE 5 HG21 ILE 5 -5.598 12.279 0.366 48 HG22 ILE 5 HG22 ILE 5 -6.809 12.167 1.644 49 HG23 ILE 5 HG23 ILE 5 -5.575 10.916 1.489 50 HD11 ILE 5 HD11 ILE 5 -5.060 15.910 0.738 51 HD12 ILE 5 HD12 ILE 5 -5.681 14.386 0.109 52 HD13 ILE 5 HD13 ILE 5 -3.945 14.599 0.357 53 H VAL 6 H VAL 6 -2.991 10.821 4.016 54 HA VAL 6 HA VAL 6 -4.130 8.289 3.517 55 HB VAL 6 HB VAL 6 -2.070 7.262 4.432 56 HG11 VAL 6 HG11 VAL 6 -0.444 8.305 2.902 57 HG12 VAL 6 HG12 VAL 6 -1.499 9.709 2.723 58 HG13 VAL 6 HG13 VAL 6 -2.029 8.125 2.146 59 HG21 VAL 6 HG21 VAL 6 -1.710 8.715 6.399 60 HG22 VAL 6 HG22 VAL 6 -1.289 10.064 5.345 61 HG23 VAL 6 HG23 VAL 6 -0.252 8.637 5.407 62 H GLY 7 H GLY 7 -3.800 10.078 6.553 63 HA2 GLY 7 HA2 GLY 7 -4.452 7.988 8.376 64 HA3 GLY 7 HA3 GLY 7 -4.598 9.712 8.680 65 H ALA 8 H ALA 8 -6.451 10.371 6.645 66 HA ALA 8 HA ALA 8 -8.940 9.777 7.888 67 HB1 ALA 8 HB1 ALA 8 -8.406 11.005 5.159 68 HB2 ALA 8 HB2 ALA 8 -8.526 11.883 6.684 69 HB3 ALA 8 HB3 ALA 8 -9.943 11.059 6.032 70 H ASN 9 H ASN 9 -7.554 8.716 4.761 71 HA ASN 9 HA ASN 9 -9.773 7.080 3.998 72 HB2 ASN 9 HB2 ASN 9 -6.940 7.272 2.908 73 HB3 ASN 9 HB3 ASN 9 -8.183 6.251 2.187 74 HD21 ASN 9 HD21 ASN 9 -7.080 9.513 2.611 75 HD22 ASN 9 HD22 ASN 9 -8.207 10.251 1.542 76 H ALA 10 H ALA 10 -6.794 6.412 5.779 77 HA ALA 10 HA ALA 10 -6.952 3.532 5.573 78 HB1 ALA 10 HB1 ALA 10 -4.805 4.683 5.910 79 HB2 ALA 10 HB2 ALA 10 -5.119 3.523 7.198 80 HB3 ALA 10 HB3 ALA 10 -5.340 5.251 7.492 81 H GLY 11 H GLY 11 -8.010 5.980 7.891 82 HA2 GLY 11 HA2 GLY 11 -8.856 4.337 10.025 83 HA3 GLY 11 HA3 GLY 11 -9.496 5.926 9.634 84 H LYS 12 H LYS 12 -10.443 5.197 6.987 85 HA LYS 12 HA LYS 12 -12.988 4.015 7.596 86 HB2 LYS 12 HB2 LYS 12 -12.755 5.839 5.953 87 HB3 LYS 12 HB3 LYS 12 -11.770 4.807 4.922 88 HG2 LYS 12 HG2 LYS 12 -13.657 3.357 4.450 89 HG3 LYS 12 HG3 LYS 12 -14.664 4.195 5.636 90 HD2 LYS 12 HD2 LYS 12 -13.528 5.468 3.109 91 HD3 LYS 12 HD3 LYS 12 -15.171 4.837 3.263 92 HE2 LYS 12 HE2 LYS 12 -15.659 6.491 5.018 93 HE3 LYS 12 HE3 LYS 12 -14.001 7.088 4.939 94 HZ1 LYS 12 HZ1 LYS 12 -14.389 7.800 2.684 95 HZ2 LYS 12 HZ2 LYS 12 -15.542 8.483 3.712 96 HZ3 LYS 12 HZ3 LYS 12 -15.961 7.185 2.718 97 H VAL 13 H VAL 13 -10.056 2.879 5.902 98 HA VAL 13 HA VAL 13 -11.004 0.335 5.069 99 HB VAL 13 HB VAL 13 -8.162 1.196 5.788 100 HG11 VAL 13 HG11 VAL 13 -8.311 -1.262 5.832 101 HG12 VAL 13 HG12 VAL 13 -7.379 -0.730 4.432 102 HG13 VAL 13 HG13 VAL 13 -9.050 -1.264 4.227 103 HG21 VAL 13 HG21 VAL 13 -9.536 1.054 3.074 104 HG22 VAL 13 HG22 VAL 13 -7.849 1.499 3.350 105 HG23 VAL 13 HG23 VAL 13 -9.145 2.531 3.959 106 H TRP 14 H TRP 14 -9.458 1.401 8.076 107 HA TRP 14 HA TRP 14 -9.541 -1.122 9.420 108 HB2 TRP 14 HB2 TRP 14 -7.896 0.548 10.062 109 HB3 TRP 14 HB3 TRP 14 -9.156 1.706 10.464 110 HD1 TRP 14 HD1 TRP 14 -7.709 -1.664 11.803 111 HE1 TRP 14 HE1 TRP 14 -8.146 -1.738 14.337 112 HE3 TRP 14 HE3 TRP 14 -10.494 2.536 12.216 113 HZ2 TRP 14 HZ2 TRP 14 -9.525 -0.200 16.273 114 HZ3 TRP 14 HZ3 TRP 14 -11.364 3.208 14.439 115 HH2 TRP 14 HH2 TRP 14 -10.885 1.853 16.429 116 H HIS 15 H HIS 15 -11.791 1.612 9.234 117 HA HIS 15 HA HIS 15 -13.690 0.811 11.173 118 HB2 HIS 15 HB2 HIS 15 -13.652 3.037 10.000 119 HB3 HIS 15 HB3 HIS 15 -14.218 2.249 8.537 120 HD1 HIS 15 HD1 HIS 15 -15.354 3.451 11.885 121 HD2 HIS 15 HD2 HIS 15 -16.981 1.626 8.518 122 HE1 HIS 15 HE1 HIS 15 -17.847 3.616 12.162 123 HE2 HIS 15 HE2 HIS 15 -18.800 2.356 10.208 124 H ALA 16 H ALA 16 -13.215 -0.167 7.802 125 HA ALA 16 HA ALA 16 -15.491 -1.831 7.497 126 HB1 ALA 16 HB1 ALA 16 -14.158 -1.036 5.586 127 HB2 ALA 16 HB2 ALA 16 -14.301 -2.795 5.576 128 HB3 ALA 16 HB3 ALA 16 -12.798 -2.035 6.110 129 H LEU 17 H LEU 17 -12.281 -2.439 8.898 130 HA LEU 17 HA LEU 17 -12.357 -5.270 9.105 131 HB2 LEU 17 HB2 LEU 17 -10.919 -3.239 10.859 132 HB3 LEU 17 HB3 LEU 17 -10.607 -4.970 10.884 133 HG LEU 17 HG LEU 17 -10.098 -3.132 8.501 134 HD11 LEU 17 HD11 LEU 17 -8.117 -4.335 10.466 135 HD12 LEU 17 HD12 LEU 17 -8.566 -2.627 10.334 136 HD13 LEU 17 HD13 LEU 17 -7.711 -3.419 9.009 137 HD21 LEU 17 HD21 LEU 17 -10.613 -5.408 7.771 138 HD22 LEU 17 HD22 LEU 17 -9.404 -6.070 8.876 139 HD23 LEU 17 HD23 LEU 17 -8.906 -5.056 7.518 140 H ASN 18 H ASN 18 -13.832 -2.754 11.056 141 HA ASN 18 HA ASN 18 -14.365 -4.252 13.421 142 HB2 ASN 18 HB2 ASN 18 -14.383 -1.781 13.385 143 HB3 ASN 18 HB3 ASN 18 -15.762 -1.779 12.297 144 HD21 ASN 18 HD21 ASN 18 -17.827 -2.248 13.155 145 HD22 ASN 18 HD22 ASN 18 -18.137 -2.286 14.852 146 H GLU 19 H GLU 19 -16.073 -3.918 10.343 147 HA GLU 19 HA GLU 19 -18.448 -5.375 11.369 148 HB2 GLU 19 HB2 GLU 19 -18.162 -3.565 8.930 149 HB3 GLU 19 HB3 GLU 19 -19.640 -4.406 9.404 150 HG2 GLU 19 HG2 GLU 19 -19.653 -3.111 11.538 151 HG3 GLU 19 HG3 GLU 19 -18.224 -2.236 10.989 152 H ALA 20 H ALA 20 -16.713 -5.067 8.212 153 HA ALA 20 HA ALA 20 -17.040 -7.990 7.778 154 HB1 ALA 20 HB1 ALA 20 -18.780 -6.790 6.519 155 HB2 ALA 20 HB2 ALA 20 -17.622 -7.554 5.428 156 HB3 ALA 20 HB3 ALA 20 -17.544 -5.814 5.718 157 H ASP 21 H ASP 21 -14.885 -8.183 8.478 158 HA ASP 21 HA ASP 21 -12.672 -7.056 6.965 159 HB2 ASP 21 HB2 ASP 21 -11.291 -8.311 8.631 160 HB3 ASP 21 HB3 ASP 21 -12.453 -7.215 9.364 161 H GLY 22 H GLY 22 -10.768 -8.768 6.648 162 HA2 GLY 22 HA2 GLY 22 -9.863 -10.531 5.495 163 HA3 GLY 22 HA3 GLY 22 -11.286 -11.454 5.968 164 H ILE 23 H ILE 23 -10.650 -8.697 3.802 165 HA ILE 23 HA ILE 23 -11.833 -10.117 1.525 166 HB ILE 23 HB ILE 23 -13.745 -8.982 2.489 167 HG12 ILE 23 HG12 ILE 23 -12.786 -7.471 0.025 168 HG13 ILE 23 HG13 ILE 23 -13.539 -9.062 0.008 169 HG21 ILE 23 HG21 ILE 23 -12.635 -7.263 3.820 170 HG22 ILE 23 HG22 ILE 23 -13.879 -6.540 2.799 171 HG23 ILE 23 HG23 ILE 23 -12.177 -6.391 2.353 172 HD11 ILE 23 HD11 ILE 23 -15.587 -8.015 0.958 173 HD12 ILE 23 HD12 ILE 23 -15.137 -7.442 -0.646 174 HD13 ILE 23 HD13 ILE 23 -14.801 -6.446 0.766 175 H SER 24 H SER 24 -10.751 -9.782 -0.296 176 HA SER 24 HA SER 24 -8.155 -8.876 -0.324 177 HB2 SER 24 HB2 SER 24 -10.014 -9.217 -2.712 178 HB3 SER 24 HB3 SER 24 -8.250 -9.229 -2.778 179 HG SER 24 HG SER 24 -8.743 -11.023 -1.016 180 H ILE 25 H ILE 25 -7.043 -7.116 -1.409 181 HA ILE 25 HA ILE 25 -7.783 -4.617 -0.560 182 HB ILE 25 HB ILE 25 -5.870 -5.296 -2.834 183 HG12 ILE 25 HG12 ILE 25 -5.300 -4.700 0.108 184 HG13 ILE 25 HG13 ILE 25 -5.286 -6.298 -0.620 185 HG21 ILE 25 HG21 ILE 25 -6.503 -2.940 -3.052 186 HG22 ILE 25 HG22 ILE 25 -4.840 -3.066 -2.486 187 HG23 ILE 25 HG23 ILE 25 -6.124 -2.655 -1.349 188 HD11 ILE 25 HD11 ILE 25 -3.386 -4.039 -1.272 189 HD12 ILE 25 HD12 ILE 25 -3.383 -5.637 -2.027 190 HD13 ILE 25 HD13 ILE 25 -3.033 -5.473 -0.307 191 HA PRO 26 HA PRO 26 -9.481 -3.273 -4.978 192 HB2 PRO 26 HB2 PRO 26 -10.426 -5.253 -6.662 193 HB3 PRO 26 HB3 PRO 26 -8.780 -4.605 -6.744 194 HG2 PRO 26 HG2 PRO 26 -9.762 -7.099 -5.348 195 HG3 PRO 26 HG3 PRO 26 -8.358 -6.903 -6.423 196 HD2 PRO 26 HD2 PRO 26 -8.035 -6.928 -3.756 197 HD3 PRO 26 HD3 PRO 26 -7.078 -5.821 -4.766 198 H GLU 27 H GLU 27 -10.906 -6.173 -3.494 199 HA GLU 27 HA GLU 27 -13.657 -5.581 -4.112 200 HB2 GLU 27 HB2 GLU 27 -12.350 -7.433 -2.070 201 HB3 GLU 27 HB3 GLU 27 -14.085 -7.409 -2.399 202 HG2 GLU 27 HG2 GLU 27 -11.943 -8.073 -4.446 203 HG3 GLU 27 HG3 GLU 27 -12.868 -9.266 -3.532 204 H LEU 28 H LEU 28 -11.705 -5.438 -1.219 205 HA LEU 28 HA LEU 28 -13.245 -4.024 0.589 206 HB2 LEU 28 HB2 LEU 28 -11.215 -5.188 1.170 207 HB3 LEU 28 HB3 LEU 28 -10.274 -4.208 0.066 208 HG LEU 28 HG LEU 28 -10.669 -2.229 1.554 209 HD11 LEU 28 HD11 LEU 28 -12.716 -2.928 2.691 210 HD12 LEU 28 HD12 LEU 28 -11.443 -2.564 3.853 211 HD13 LEU 28 HD13 LEU 28 -11.846 -4.245 3.489 212 HD21 LEU 28 HD21 LEU 28 -9.012 -2.922 3.223 213 HD22 LEU 28 HD22 LEU 28 -8.603 -3.506 1.606 214 HD23 LEU 28 HD23 LEU 28 -9.292 -4.615 2.797 215 H ALA 29 H ALA 29 -11.208 -2.811 -2.083 216 HA ALA 29 HA ALA 29 -11.296 -0.054 -1.545 217 HB1 ALA 29 HB1 ALA 29 -10.736 0.289 -3.906 218 HB2 ALA 29 HB2 ALA 29 -11.181 -1.381 -4.271 219 HB3 ALA 29 HB3 ALA 29 -9.799 -1.045 -3.229 220 H ARG 30 H ARG 30 -13.650 -2.119 -3.280 221 HA ARG 30 HA ARG 30 -15.447 0.042 -3.895 222 HB2 ARG 30 HB2 ARG 30 -15.655 -2.956 -4.074 223 HB3 ARG 30 HB3 ARG 30 -17.141 -2.021 -4.105 224 HG2 ARG 30 HG2 ARG 30 -16.561 -2.378 -6.370 225 HG3 ARG 30 HG3 ARG 30 -16.184 -0.692 -6.030 226 HD2 ARG 30 HD2 ARG 30 -14.380 -1.490 -7.333 227 HD3 ARG 30 HD3 ARG 30 -13.756 -1.466 -5.681 228 HE ARG 30 HE ARG 30 -14.589 -3.988 -5.843 229 HH11 ARG 30 HH11 ARG 30 -12.681 -2.188 -8.115 230 HH12 ARG 30 HH12 ARG 30 -11.933 -3.614 -8.746 231 HH21 ARG 30 HH21 ARG 30 -13.570 -5.776 -6.677 232 HH22 ARG 30 HH22 ARG 30 -12.434 -5.586 -7.967 233 H LYS 31 H LYS 31 -15.044 -2.032 -1.046 234 HA LYS 31 HA LYS 31 -17.493 -1.358 0.270 235 HB2 LYS 31 HB2 LYS 31 -14.824 -2.170 1.498 236 HB3 LYS 31 HB3 LYS 31 -16.343 -2.042 2.387 237 HG2 LYS 31 HG2 LYS 31 -17.264 -3.811 0.789 238 HG3 LYS 31 HG3 LYS 31 -15.601 -4.038 0.233 239 HD2 LYS 31 HD2 LYS 31 -16.136 -5.701 1.944 240 HD3 LYS 31 HD3 LYS 31 -14.914 -4.589 2.563 241 HE2 LYS 31 HE2 LYS 31 -16.614 -5.082 4.270 242 HE3 LYS 31 HE3 LYS 31 -16.659 -3.377 3.825 243 HZ1 LYS 31 HZ1 LYS 31 -18.569 -3.831 2.414 244 HZ2 LYS 31 HZ2 LYS 31 -18.875 -4.320 4.003 245 HZ3 LYS 31 HZ3 LYS 31 -18.515 -5.472 2.819 246 H VAL 32 H VAL 32 -14.226 0.053 0.430 247 HA VAL 32 HA VAL 32 -15.070 2.194 2.231 248 HB VAL 32 HB VAL 32 -12.708 2.882 2.250 249 HG11 VAL 32 HG11 VAL 32 -11.733 0.850 3.281 250 HG12 VAL 32 HG12 VAL 32 -13.023 -0.134 2.584 251 HG13 VAL 32 HG13 VAL 32 -13.404 1.095 3.796 252 HG21 VAL 32 HG21 VAL 32 -12.229 0.679 0.195 253 HG22 VAL 32 HG22 VAL 32 -10.966 1.607 1.011 254 HG23 VAL 32 HG23 VAL 32 -12.086 2.416 -0.085 255 H ASN 33 H ASN 33 -15.274 1.700 -1.039 256 HA ASN 33 HA ASN 33 -15.971 2.935 -2.788 257 HB2 ASN 33 HB2 ASN 33 -17.420 3.992 -0.950 258 HB3 ASN 33 HB3 ASN 33 -16.256 5.307 -0.890 259 HD21 ASN 33 HD21 ASN 33 -17.779 6.842 -1.537 260 HD22 ASN 33 HD22 ASN 33 -18.431 6.897 -3.134 261 H LEU 34 H LEU 34 -13.122 2.832 -2.050 262 HA LEU 34 HA LEU 34 -12.041 5.274 -3.358 263 HB2 LEU 34 HB2 LEU 34 -10.678 3.338 -1.438 264 HB3 LEU 34 HB3 LEU 34 -9.918 4.742 -2.178 265 HG LEU 34 HG LEU 34 -12.261 4.870 -0.237 266 HD11 LEU 34 HD11 LEU 34 -10.245 4.071 0.891 267 HD12 LEU 34 HD12 LEU 34 -10.655 5.703 1.413 268 HD13 LEU 34 HD13 LEU 34 -9.325 5.450 0.277 269 HD21 LEU 34 HD21 LEU 34 -11.800 7.297 -0.173 270 HD22 LEU 34 HD22 LEU 34 -12.245 6.759 -1.790 271 HD23 LEU 34 HD23 LEU 34 -10.555 7.092 -1.411 272 H SER 35 H SER 35 -9.935 4.856 -4.572 273 HA SER 35 HA SER 35 -10.017 2.723 -6.451 274 HB2 SER 35 HB2 SER 35 -8.872 4.791 -7.028 275 HB3 SER 35 HB3 SER 35 -7.753 4.617 -5.679 276 HG SER 35 HG SER 35 -7.171 3.918 -8.000 277 H VAL 36 H VAL 36 -8.592 0.934 -6.718 278 HA VAL 36 HA VAL 36 -7.876 -0.685 -4.556 279 HB VAL 36 HB VAL 36 -6.562 -0.606 -7.310 280 HG11 VAL 36 HG11 VAL 36 -6.646 -2.884 -5.291 281 HG12 VAL 36 HG12 VAL 36 -5.219 -1.949 -5.757 282 HG13 VAL 36 HG13 VAL 36 -6.009 -2.997 -6.936 283 HG21 VAL 36 HG21 VAL 36 -8.209 -2.333 -7.962 284 HG22 VAL 36 HG22 VAL 36 -8.997 -0.825 -7.497 285 HG23 VAL 36 HG23 VAL 36 -8.980 -2.189 -6.380 286 H GLU 37 H GLU 37 -5.954 1.643 -6.372 287 HA GLU 37 HA GLU 37 -3.436 1.402 -5.141 288 HB2 GLU 37 HB2 GLU 37 -4.715 3.923 -6.273 289 HB3 GLU 37 HB3 GLU 37 -2.989 3.636 -6.051 290 HG2 GLU 37 HG2 GLU 37 -3.054 1.859 -7.743 291 HG3 GLU 37 HG3 GLU 37 -4.791 2.102 -7.939 292 H SER 38 H SER 38 -6.134 3.614 -4.411 293 HA SER 38 HA SER 38 -5.049 5.086 -2.288 294 HB2 SER 38 HB2 SER 38 -7.976 4.338 -2.718 295 HB3 SER 38 HB3 SER 38 -7.387 5.675 -1.722 296 HG SER 38 HG SER 38 -8.084 5.976 -4.081 297 H THR 39 H THR 39 -6.912 2.081 -2.291 298 HA THR 39 HA THR 39 -7.130 1.758 0.528 299 HB THR 39 HB THR 39 -7.443 -0.281 -1.718 300 HG1 THR 39 HG1 THR 39 -9.755 0.395 -0.664 301 HG21 THR 39 HG21 THR 39 -8.397 -0.442 1.171 302 HG22 THR 39 HG22 THR 39 -7.129 -1.440 0.449 303 HG23 THR 39 HG23 THR 39 -8.796 -1.587 -0.112 304 H ALA 40 H ALA 40 -4.910 0.246 -1.891 305 HA ALA 40 HA ALA 40 -3.528 -1.489 -0.130 306 HB1 ALA 40 HB1 ALA 40 -2.587 -0.242 -2.740 307 HB2 ALA 40 HB2 ALA 40 -3.466 -1.764 -2.559 308 HB3 ALA 40 HB3 ALA 40 -1.824 -1.621 -1.931 309 H LEU 41 H LEU 41 -2.848 1.835 -1.120 310 HA LEU 41 HA LEU 41 -0.426 2.273 0.291 311 HB2 LEU 41 HB2 LEU 41 -0.967 3.644 -1.585 312 HB3 LEU 41 HB3 LEU 41 -2.556 4.015 -0.979 313 HG LEU 41 HG LEU 41 -0.813 5.907 -1.084 314 HD11 LEU 41 HD11 LEU 41 -2.965 6.133 0.027 315 HD12 LEU 41 HD12 LEU 41 -1.702 7.034 0.853 316 HD13 LEU 41 HD13 LEU 41 -2.276 5.509 1.529 317 HD21 LEU 41 HD21 LEU 41 0.237 4.616 1.453 318 HD22 LEU 41 HD22 LEU 41 0.701 6.193 0.807 319 HD23 LEU 41 HD23 LEU 41 1.092 4.726 -0.088 320 H ALA 42 H ALA 42 -3.841 2.746 1.118 321 HA ALA 42 HA ALA 42 -3.454 3.993 3.659 322 HB1 ALA 42 HB1 ALA 42 -5.875 2.529 2.549 323 HB2 ALA 42 HB2 ALA 42 -5.518 4.252 2.379 324 HB3 ALA 42 HB3 ALA 42 -5.867 3.579 3.970 325 H VAL 43 H VAL 43 -3.849 0.586 2.688 326 HA VAL 43 HA VAL 43 -3.942 -0.574 5.277 327 HB VAL 43 HB VAL 43 -3.056 -1.771 2.612 328 HG11 VAL 43 HG11 VAL 43 -3.368 -4.007 3.639 329 HG12 VAL 43 HG12 VAL 43 -3.663 -3.246 5.203 330 HG13 VAL 43 HG13 VAL 43 -2.078 -3.104 4.441 331 HG21 VAL 43 HG21 VAL 43 -5.285 -2.824 2.560 332 HG22 VAL 43 HG22 VAL 43 -5.431 -1.068 2.653 333 HG23 VAL 43 HG23 VAL 43 -5.699 -2.050 4.092 334 H GLY 44 H GLY 44 -1.295 0.389 3.140 335 HA2 GLY 44 HA2 GLY 44 0.895 -0.618 4.638 336 HA3 GLY 44 HA3 GLY 44 0.948 0.715 3.497 337 H TRP 45 H TRP 45 -0.925 2.439 4.871 338 HA TRP 45 HA TRP 45 0.663 3.634 6.927 339 HB2 TRP 45 HB2 TRP 45 -0.859 5.004 5.565 340 HB3 TRP 45 HB3 TRP 45 -2.254 4.115 6.172 341 HD1 TRP 45 HD1 TRP 45 -3.379 5.078 8.354 342 HE1 TRP 45 HE1 TRP 45 -2.800 6.927 10.034 343 HE3 TRP 45 HE3 TRP 45 1.348 6.225 6.725 344 HZ2 TRP 45 HZ2 TRP 45 -0.653 8.657 10.599 345 HZ3 TRP 45 HZ3 TRP 45 2.596 7.996 7.899 346 HH2 TRP 45 HH2 TRP 45 1.614 9.188 9.799 347 H LEU 46 H LEU 46 -2.198 1.512 6.971 348 HA LEU 46 HA LEU 46 -2.533 1.423 9.797 349 HB2 LEU 46 HB2 LEU 46 -3.380 -0.567 7.660 350 HB3 LEU 46 HB3 LEU 46 -3.872 -0.663 9.346 351 HG LEU 46 HG LEU 46 -4.615 1.524 7.363 352 HD11 LEU 46 HD11 LEU 46 -6.339 -0.555 8.744 353 HD12 LEU 46 HD12 LEU 46 -5.882 -0.530 7.036 354 HD13 LEU 46 HD13 LEU 46 -6.918 0.739 7.688 355 HD21 LEU 46 HD21 LEU 46 -5.326 1.354 10.307 356 HD22 LEU 46 HD22 LEU 46 -5.962 2.531 9.154 357 HD23 LEU 46 HD23 LEU 46 -4.248 2.535 9.557 358 H ALA 47 H ALA 47 -0.503 -0.480 7.573 359 HA ALA 47 HA ALA 47 0.538 -2.367 9.371 360 HB1 ALA 47 HB1 ALA 47 1.979 -1.046 7.043 361 HB2 ALA 47 HB2 ALA 47 0.933 -2.462 6.939 362 HB3 ALA 47 HB3 ALA 47 2.452 -2.555 7.832 363 H ARG 48 H ARG 48 1.512 1.044 8.867 364 HA ARG 48 HA ARG 48 3.694 1.161 10.677 365 HB2 ARG 48 HB2 ARG 48 3.347 3.060 9.252 366 HB3 ARG 48 HB3 ARG 48 1.678 3.253 9.775 367 HG2 ARG 48 HG2 ARG 48 2.449 3.988 12.006 368 HG3 ARG 48 HG3 ARG 48 4.126 3.767 11.507 369 HD2 ARG 48 HD2 ARG 48 3.986 5.585 9.945 370 HD3 ARG 48 HD3 ARG 48 2.230 5.683 10.118 371 HE ARG 48 HE ARG 48 2.835 6.253 12.570 372 HH11 ARG 48 HH11 ARG 48 4.745 7.286 9.872 373 HH12 ARG 48 HH12 ARG 48 5.188 8.772 10.631 374 HH21 ARG 48 HH21 ARG 48 3.404 8.139 13.510 375 HH22 ARG 48 HH22 ARG 48 4.417 9.261 12.675 376 H GLU 49 H GLU 49 0.217 1.729 11.187 377 HA GLU 49 HA GLU 49 0.475 2.242 14.030 378 HB2 GLU 49 HB2 GLU 49 -2.055 1.826 12.387 379 HB3 GLU 49 HB3 GLU 49 -1.952 2.563 13.986 380 HG2 GLU 49 HG2 GLU 49 -0.639 4.428 13.009 381 HG3 GLU 49 HG3 GLU 49 -0.808 3.699 11.411 382 H ASN 50 H ASN 50 0.351 -0.537 12.155 383 HA ASN 50 HA ASN 50 0.142 -2.749 12.486 384 HB2 ASN 50 HB2 ASN 50 0.364 -1.928 15.414 385 HB3 ASN 50 HB3 ASN 50 0.405 -3.608 14.860 386 HD21 ASN 50 HD21 ASN 50 2.064 -0.497 14.620 387 HD22 ASN 50 HD22 ASN 50 3.610 -1.150 14.238 388 H LYS 51 H LYS 51 -2.231 -1.015 12.335 389 HA LYS 51 HA LYS 51 -4.427 -2.122 13.767 390 HB2 LYS 51 HB2 LYS 51 -4.332 -0.633 11.114 391 HB3 LYS 51 HB3 LYS 51 -5.809 -0.998 11.991 392 HG2 LYS 51 HG2 LYS 51 -3.572 0.803 12.954 393 HG3 LYS 51 HG3 LYS 51 -5.109 1.329 12.261 394 HD2 LYS 51 HD2 LYS 51 -6.190 -0.012 14.228 395 HD3 LYS 51 HD3 LYS 51 -4.573 0.040 14.950 396 HE2 LYS 51 HE2 LYS 51 -6.347 2.393 14.200 397 HE3 LYS 51 HE3 LYS 51 -5.856 1.895 15.821 398 HZ1 LYS 51 HZ1 LYS 51 -3.564 2.474 15.250 399 HZ2 LYS 51 HZ2 LYS 51 -4.589 3.808 15.066 400 HZ3 LYS 51 HZ3 LYS 51 -4.050 2.959 13.706 401 H VAL 52 H VAL 52 -2.591 -3.332 11.100 402 HA VAL 52 HA VAL 52 -4.665 -5.349 10.455 403 HB VAL 52 HB VAL 52 -3.966 -5.324 8.074 404 HG11 VAL 52 HG11 VAL 52 -5.019 -3.181 7.418 405 HG12 VAL 52 HG12 VAL 52 -4.874 -2.605 9.081 406 HG13 VAL 52 HG13 VAL 52 -5.909 -3.988 8.712 407 HG21 VAL 52 HG21 VAL 52 -2.231 -2.921 8.812 408 HG22 VAL 52 HG22 VAL 52 -2.553 -3.476 7.167 409 HG23 VAL 52 HG23 VAL 52 -1.651 -4.503 8.281 410 H VAL 53 H VAL 53 -3.944 -7.432 9.887 411 HA VAL 53 HA VAL 53 -1.015 -7.925 9.823 412 HB VAL 53 HB VAL 53 -1.395 -10.261 10.559 413 HG11 VAL 53 HG11 VAL 53 -1.916 -9.797 12.945 414 HG12 VAL 53 HG12 VAL 53 -2.544 -8.209 12.492 415 HG13 VAL 53 HG13 VAL 53 -0.834 -8.578 12.262 416 HG21 VAL 53 HG21 VAL 53 -4.298 -9.467 10.963 417 HG22 VAL 53 HG22 VAL 53 -3.568 -10.977 11.521 418 HG23 VAL 53 HG23 VAL 53 -3.685 -10.638 9.794 419 H ILE 54 H ILE 54 -0.224 -8.883 8.004 420 HA ILE 54 HA ILE 54 -2.135 -9.312 5.771 421 HB ILE 54 HB ILE 54 0.765 -8.378 5.710 422 HG12 ILE 54 HG12 ILE 54 -0.722 -6.610 6.536 423 HG13 ILE 54 HG13 ILE 54 -0.152 -6.203 4.922 424 HG21 ILE 54 HG21 ILE 54 0.326 -9.680 3.696 425 HG22 ILE 54 HG22 ILE 54 0.448 -7.969 3.287 426 HG23 ILE 54 HG23 ILE 54 -1.136 -8.743 3.367 427 HD11 ILE 54 HD11 ILE 54 -2.303 -6.861 3.984 428 HD12 ILE 54 HD12 ILE 54 -2.490 -5.638 5.239 429 HD13 ILE 54 HD13 ILE 54 -2.876 -7.320 5.592 430 H GLU 55 H GLU 55 -2.313 -11.342 5.019 431 HA GLU 55 HA GLU 55 -0.097 -13.291 5.375 432 HB2 GLU 55 HB2 GLU 55 -3.032 -13.811 4.695 433 HB3 GLU 55 HB3 GLU 55 -1.788 -15.043 4.931 434 HG2 GLU 55 HG2 GLU 55 -1.531 -14.128 7.296 435 HG3 GLU 55 HG3 GLU 55 -3.006 -13.204 7.000 436 H ARG 56 H ARG 56 0.647 -14.524 3.597 437 HA ARG 56 HA ARG 56 -0.569 -13.988 0.938 438 HB2 ARG 56 HB2 ARG 56 2.149 -15.279 1.506 439 HB3 ARG 56 HB3 ARG 56 1.463 -14.977 -0.082 440 HG2 ARG 56 HG2 ARG 56 2.998 -13.223 0.159 441 HG3 ARG 56 HG3 ARG 56 1.466 -12.470 0.610 442 HD2 ARG 56 HD2 ARG 56 2.044 -12.907 3.018 443 HD3 ARG 56 HD3 ARG 56 3.628 -13.470 2.482 444 HE ARG 56 HE ARG 56 3.757 -11.101 1.437 445 HH11 ARG 56 HH11 ARG 56 2.239 -11.808 4.464 446 HH12 ARG 56 HH12 ARG 56 2.524 -10.233 5.098 447 HH21 ARG 56 HH21 ARG 56 4.120 -9.078 2.265 448 HH22 ARG 56 HH22 ARG 56 3.593 -8.696 3.868 449 H LYS 57 H LYS 57 -2.280 -15.333 1.037 450 HA LYS 57 HA LYS 57 -1.934 -18.137 1.942 451 HB2 LYS 57 HB2 LYS 57 -4.400 -18.102 2.354 452 HB3 LYS 57 HB3 LYS 57 -3.516 -16.919 3.310 453 HG2 LYS 57 HG2 LYS 57 -4.189 -15.208 1.505 454 HG3 LYS 57 HG3 LYS 57 -5.330 -16.429 0.936 455 HD2 LYS 57 HD2 LYS 57 -5.271 -15.065 3.656 456 HD3 LYS 57 HD3 LYS 57 -6.481 -14.870 2.390 457 HE2 LYS 57 HE2 LYS 57 -7.616 -16.299 3.806 458 HE3 LYS 57 HE3 LYS 57 -6.812 -17.501 2.796 459 HZ1 LYS 57 HZ1 LYS 57 -5.797 -16.508 5.409 460 HZ2 LYS 57 HZ2 LYS 57 -5.108 -17.733 4.473 461 HZ3 LYS 57 HZ3 LYS 57 -6.623 -17.960 5.175 462 H ASN 58 H ASN 58 -1.863 -19.626 0.385 463 HA ASN 58 HA ASN 58 -1.455 -20.447 -1.693 464 HB2 ASN 58 HB2 ASN 58 -4.006 -18.951 -2.458 465 HB3 ASN 58 HB3 ASN 58 -3.248 -20.229 -3.407 466 HD21 ASN 58 HD21 ASN 58 -5.926 -20.013 -2.102 467 HD22 ASN 58 HD22 ASN 58 -6.059 -21.431 -1.128 468 H GLY 59 H GLY 59 -0.197 -17.977 -0.903 469 HA2 GLY 59 HA2 GLY 59 1.274 -16.444 -1.784 470 HA3 GLY 59 HA3 GLY 59 0.746 -16.887 -3.404 471 H LEU 60 H LEU 60 -2.127 -16.232 -2.107 472 HA LEU 60 HA LEU 60 -2.287 -13.610 -3.292 473 HB2 LEU 60 HB2 LEU 60 -4.418 -15.263 -1.878 474 HB3 LEU 60 HB3 LEU 60 -4.717 -13.794 -2.799 475 HG LEU 60 HG LEU 60 -3.741 -16.465 -3.903 476 HD11 LEU 60 HD11 LEU 60 -6.365 -14.999 -4.341 477 HD12 LEU 60 HD12 LEU 60 -6.124 -16.451 -3.366 478 HD13 LEU 60 HD13 LEU 60 -5.876 -16.514 -5.107 479 HD21 LEU 60 HD21 LEU 60 -4.173 -13.857 -5.407 480 HD22 LEU 60 HD22 LEU 60 -3.843 -15.429 -6.144 481 HD23 LEU 60 HD23 LEU 60 -2.630 -14.668 -5.121 482 H ILE 61 H ILE 61 -1.867 -11.786 -2.250 483 HA ILE 61 HA ILE 61 -1.473 -11.565 0.565 484 HB ILE 61 HB ILE 61 -1.595 -9.467 -1.635 485 HG12 ILE 61 HG12 ILE 61 0.743 -10.772 -0.173 486 HG13 ILE 61 HG13 ILE 61 0.257 -11.090 -1.835 487 HG21 ILE 61 HG21 ILE 61 -0.722 -9.054 1.247 488 HG22 ILE 61 HG22 ILE 61 -2.158 -8.363 0.494 489 HG23 ILE 61 HG23 ILE 61 -0.555 -7.873 -0.053 490 HD11 ILE 61 HD11 ILE 61 1.376 -8.512 -0.760 491 HD12 ILE 61 HD12 ILE 61 0.847 -8.786 -2.423 492 HD13 ILE 61 HD13 ILE 61 2.201 -9.701 -1.764 493 H GLU 62 H GLU 62 -2.984 -11.353 2.070 494 HA GLU 62 HA GLU 62 -5.618 -10.147 1.452 495 HB2 GLU 62 HB2 GLU 62 -5.713 -12.634 1.482 496 HB3 GLU 62 HB3 GLU 62 -5.067 -12.647 3.114 497 HG2 GLU 62 HG2 GLU 62 -7.499 -13.043 3.056 498 HG3 GLU 62 HG3 GLU 62 -7.080 -11.599 3.980 499 H ILE 63 H ILE 63 -6.508 -8.865 2.995 500 HA ILE 63 HA ILE 63 -4.841 -7.984 5.235 501 HB ILE 63 HB ILE 63 -5.668 -6.218 3.767 502 HG12 ILE 63 HG12 ILE 63 -7.105 -6.189 6.463 503 HG13 ILE 63 HG13 ILE 63 -5.475 -5.608 6.145 504 HG21 ILE 63 HG21 ILE 63 -8.486 -7.170 4.387 505 HG22 ILE 63 HG22 ILE 63 -7.645 -7.353 2.846 506 HG23 ILE 63 HG23 ILE 63 -8.065 -5.744 3.434 507 HD11 ILE 63 HD11 ILE 63 -7.020 -3.775 6.399 508 HD12 ILE 63 HD12 ILE 63 -8.038 -4.399 5.104 509 HD13 ILE 63 HD13 ILE 63 -6.410 -3.816 4.746 510 H TYR 64 H TYR 64 -5.304 -8.424 7.288 511 HA TYR 64 HA TYR 64 -8.026 -9.192 8.173 512 HB2 TYR 64 HB2 TYR 64 -5.366 -10.487 8.885 513 HB3 TYR 64 HB3 TYR 64 -6.779 -10.685 9.904 514 HD1 TYR 64 HD2 TYR 64 -8.779 -11.935 9.027 515 HD2 TYR 64 HD1 TYR 64 -5.124 -11.741 6.813 516 HE1 TYR 64 HE2 TYR 64 -9.506 -13.845 7.664 517 HE2 TYR 64 HE1 TYR 64 -5.858 -13.657 5.450 518 HH TYR 64 HH TYR 64 -9.078 -14.860 5.525 519 H ASN 65 H ASN 65 -8.132 -9.010 10.662 520 HA ASN 65 HA ASN 65 -7.527 -6.310 11.426 521 HB2 ASN 65 HB2 ASN 65 -8.636 -8.603 13.115 522 HB3 ASN 65 HB3 ASN 65 -8.633 -6.898 13.571 523 HD21 ASN 65 HD21 ASN 65 -10.896 -6.939 13.775 524 HD22 ASN 65 HD22 ASN 65 -11.934 -6.972 12.395 525 H GLU 66 H GLU 66 -6.138 -5.555 12.998 526 HA GLU 66 HA GLU 66 -3.688 -6.343 13.598 527 HB2 GLU 66 HB2 GLU 66 -3.984 -5.145 15.845 528 HB3 GLU 66 HB3 GLU 66 -4.398 -4.245 14.396 529 HG2 GLU 66 HG2 GLU 66 -6.813 -4.782 14.816 530 HG3 GLU 66 HG3 GLU 66 -6.344 -5.554 16.331 531 H GLY 67 H GLY 67 -6.397 -7.312 15.775 532 HA2 GLY 67 HA2 GLY 67 -6.805 -9.187 16.996 533 HA3 GLY 67 HA3 GLY 67 -5.767 -10.027 15.868 534 H HIS 68 H HIS 68 -3.437 -10.036 16.334 535 HA HIS 68 HA HIS 68 -2.888 -10.195 19.254 536 HB2 HIS 68 HB2 HIS 68 -1.756 -12.043 17.111 537 HB3 HIS 68 HB3 HIS 68 -1.674 -12.254 18.857 538 HD1 HIS 68 HD1 HIS 68 -3.942 -12.981 20.058 539 HD2 HIS 68 HD2 HIS 68 -4.043 -13.071 15.898 540 HE1 HIS 68 HE1 HIS 68 -5.974 -14.330 19.457 541 HE2 HIS 68 HE2 HIS 68 -6.037 -14.349 16.945 542 H PHE 69 H PHE 69 -1.815 -8.938 16.212 543 HA PHE 69 HA PHE 69 0.984 -8.522 17.140 544 HB2 PHE 69 HB2 PHE 69 -0.046 -8.648 14.266 545 HB3 PHE 69 HB3 PHE 69 1.635 -8.491 14.759 546 HD1 PHE 69 HD2 PHE 69 2.844 -10.439 15.754 547 HD2 PHE 69 HD1 PHE 69 -1.171 -10.812 14.318 548 HE1 PHE 69 HE2 PHE 69 3.053 -12.893 15.771 549 HE2 PHE 69 HE1 PHE 69 -0.946 -13.259 14.342 550 HZ PHE 69 HZ PHE 69 1.161 -14.301 15.069 551 H ASP 70 H ASP 70 -1.169 -6.774 17.850 552 HA ASP 70 HA ASP 70 -1.208 -4.432 16.144 553 HB2 ASP 70 HB2 ASP 70 -2.694 -3.481 17.907 554 HB3 ASP 70 HB3 ASP 70 -3.235 -5.052 17.325 555 H PHE 71 H PHE 71 1.304 -5.361 17.880 556 HA PHE 71 HA PHE 71 1.828 -3.295 19.760 557 HB2 PHE 71 HB2 PHE 71 3.838 -5.141 18.396 558 HB3 PHE 71 HB3 PHE 71 4.106 -4.226 19.875 559 HD1 PHE 71 HD1 PHE 71 2.760 -4.820 21.959 560 HD2 PHE 71 HD2 PHE 71 2.792 -7.304 18.471 561 HE1 PHE 71 HE1 PHE 71 1.924 -6.715 23.288 562 HE2 PHE 71 HE2 PHE 71 1.956 -9.186 19.812 563 HZ PHE 71 HZ PHE 71 1.520 -8.896 22.218 564 H SER 72 H SER 72 1.795 -1.228 19.003 565 HA SER 72 HA SER 72 3.030 -0.447 16.472 566 HB2 SER 72 HB2 SER 72 1.959 1.777 16.940 567 HB3 SER 72 HB3 SER 72 0.812 0.438 16.961 568 HG SER 72 HG SER 72 1.570 2.134 18.989 569 H PHE 73 H PHE 73 4.533 -1.070 19.172 570 HA PHE 73 HA PHE 73 5.985 1.412 19.653 571 HB2 PHE 73 HB2 PHE 73 5.339 -0.112 21.530 572 HB3 PHE 73 HB3 PHE 73 6.398 -1.353 20.871 573 HD1 PHE 73 HD2 PHE 73 6.498 2.226 22.020 574 HD2 PHE 73 HD1 PHE 73 8.609 -1.489 21.735 575 HE1 PHE 73 HE2 PHE 73 8.363 3.179 23.309 576 HE2 PHE 73 HE1 PHE 73 10.468 -0.519 23.030 577 HZ PHE 73 HZ PHE 73 10.346 1.811 23.814 578 H GLY 74 H GLY 74 7.326 1.903 17.963 579 HA2 GLY 74 HA2 GLY 74 9.840 0.806 17.655 580 HA3 GLY 74 HA3 GLY 74 8.851 0.007 16.440 581 H LEU 75 H LEU 75 9.978 3.166 17.591 582 HA LEU 75 HA LEU 75 9.502 4.369 14.905 583 HB2 LEU 75 HB2 LEU 75 9.458 5.802 17.600 584 HB3 LEU 75 HB3 LEU 75 9.281 6.568 16.032 585 HG LEU 75 HG LEU 75 7.125 5.123 15.778 586 HD11 LEU 75 HD11 LEU 75 7.428 4.885 18.786 587 HD12 LEU 75 HD12 LEU 75 7.487 3.559 17.621 588 HD13 LEU 75 HD13 LEU 75 5.992 4.462 17.847 589 HD21 LEU 75 HD21 LEU 75 7.078 7.558 16.077 590 HD22 LEU 75 HD22 LEU 75 7.166 7.361 17.829 591 HD23 LEU 75 HD23 LEU 75 5.748 6.790 16.945 592 H GLU 76 H GLU 76 11.590 4.221 14.001 593 HA GLU 76 HA GLU 76 13.719 5.780 15.318 594 HB2 GLU 76 HB2 GLU 76 13.983 2.886 14.450 595 HB3 GLU 76 HB3 GLU 76 15.391 3.937 14.532 596 HG2 GLU 76 HG2 GLU 76 14.843 4.336 16.965 597 HG3 GLU 76 HG3 GLU 76 13.583 3.114 16.822 598 H HIS 77 H HIS 77 14.370 7.275 13.968 599 HA HIS 77 HA HIS 77 14.788 6.722 11.084 600 HB2 HIS 77 HB2 HIS 77 13.790 9.356 12.278 601 HB3 HIS 77 HB3 HIS 77 14.118 9.061 10.574 602 HD1 HIS 77 HD1 HIS 77 11.428 9.014 12.993 603 HD2 HIS 77 HD2 HIS 77 12.270 7.035 9.440 604 HE1 HIS 77 HE1 HIS 77 9.247 8.030 12.250 605 HE2 HIS 77 HE2 HIS 77 9.847 6.639 10.266 606 H HIS 78 H HIS 78 16.468 8.226 10.122 607 HA HIS 78 HA HIS 78 18.864 8.254 11.665 608 HB2 HIS 78 HB2 HIS 78 18.303 9.734 9.054 609 HB3 HIS 78 HB3 HIS 78 19.892 9.350 9.713 610 HD1 HIS 78 HD1 HIS 78 17.107 7.928 7.731 611 HD2 HIS 78 HD2 HIS 78 20.592 6.564 9.536 612 HE1 HIS 78 HE1 HIS 78 17.504 5.643 6.785 613 HE2 HIS 78 HE2 HIS 78 19.458 4.753 8.077 614 H HIS 79 H HIS 79 19.838 9.850 12.865 615 HA HIS 79 HA HIS 79 18.731 12.579 12.938 616 HB2 HIS 79 HB2 HIS 79 18.485 12.476 15.439 617 HB3 HIS 79 HB3 HIS 79 17.356 11.440 14.577 618 HD1 HIS 79 HD1 HIS 79 17.845 8.845 14.675 619 HD2 HIS 79 HD2 HIS 79 20.112 11.159 17.283 620 HE1 HIS 79 HE1 HIS 79 18.747 7.240 16.375 621 HE2 HIS 79 HE2 HIS 79 20.215 8.635 17.860 622 H HIS 80 H HIS 80 21.138 11.993 11.845 623 HA HIS 80 HA HIS 80 23.025 13.256 13.762 624 HB2 HIS 80 HB2 HIS 80 23.602 10.858 12.987 625 HB3 HIS 80 HB3 HIS 80 23.899 11.542 11.394 626 HD1 HIS 80 HD1 HIS 80 25.368 11.154 14.768 627 HD2 HIS 80 HD2 HIS 80 26.237 13.248 11.285 628 HE1 HIS 80 HE1 HIS 80 27.733 11.932 15.029 629 HE2 HIS 80 HE2 HIS 80 28.299 13.004 12.830 630 H HIS 81 H HIS 81 23.942 15.162 13.109 631 HA HIS 81 HA HIS 81 22.647 16.629 11.051 632 HB2 HIS 81 HB2 HIS 81 24.040 18.537 11.730 633 HB3 HIS 81 HB3 HIS 81 23.342 17.717 13.114 634 HD1 HIS 81 HD1 HIS 81 26.164 19.479 12.555 635 HD2 HIS 81 HD2 HIS 81 25.641 15.566 13.868 636 HE1 HIS 81 HE1 HIS 81 28.243 18.919 13.841 637 HE2 HIS 81 HE2 HIS 81 27.823 16.628 14.773 638 H HIS 82 H HIS 82 25.235 14.533 10.673 639 HA HIS 82 HA HIS 82 25.476 15.352 7.876 640 HB2 HIS 82 HB2 HIS 82 27.865 15.051 9.725 641 HB3 HIS 82 HB3 HIS 82 28.032 14.738 8.008 642 HD1 HIS 82 HD1 HIS 82 28.644 17.338 10.275 643 HD2 HIS 82 HD2 HIS 82 26.881 17.183 6.510 644 HE1 HIS 82 HE1 HIS 82 28.754 19.681 9.383 645 HE2 HIS 82 HE2 HIS 82 27.652 19.571 7.126 646 H1 MET 1 H MET 1 3.502 -13.140 11.030 647 HA MET 1 HA MET 1 6.000 -12.706 10.379 648 HB2 MET 1 HB2 MET 1 5.843 -14.230 8.416 649 HB3 MET 1 HB3 MET 1 4.928 -14.821 9.796 650 HG2 MET 1 HG2 MET 1 2.836 -14.042 8.767 651 HG3 MET 1 HG3 MET 1 3.736 -13.412 7.387 652 HE1 MET 1 HE1 MET 1 5.915 -15.688 6.878 653 HE2 MET 1 HE2 MET 1 4.958 -14.952 5.591 654 HE3 MET 1 HE3 MET 1 5.061 -16.709 5.723 655 H ASP 2 H ASP 2 3.413 -11.003 8.850 656 HA ASP 2 HA ASP 2 4.576 -10.136 6.454 657 HB2 ASP 2 HB2 ASP 2 2.939 -8.249 6.545 658 HB3 ASP 2 HB3 ASP 2 2.211 -9.815 6.876 659 H LYS 3 H LYS 3 5.060 -8.996 9.715 660 HA LYS 3 HA LYS 3 5.873 -6.359 9.254 661 HB2 LYS 3 HB2 LYS 3 5.171 -7.636 11.442 662 HB3 LYS 3 HB3 LYS 3 6.882 -8.001 11.594 663 HG2 LYS 3 HG2 LYS 3 6.259 -6.066 12.949 664 HG3 LYS 3 HG3 LYS 3 7.406 -5.607 11.690 665 HD2 LYS 3 HD2 LYS 3 5.550 -3.953 12.024 666 HD3 LYS 3 HD3 LYS 3 5.660 -4.567 10.376 667 HE2 LYS 3 HE2 LYS 3 3.313 -4.368 11.232 668 HE3 LYS 3 HE3 LYS 3 3.736 -6.000 10.721 669 HZ1 LYS 3 HZ1 LYS 3 4.062 -6.599 13.037 670 HZ2 LYS 3 HZ2 LYS 3 2.503 -5.993 12.792 671 HZ3 LYS 3 HZ3 LYS 3 3.682 -5.028 13.525 672 H LYS 4 H LYS 4 7.747 -9.334 9.101 673 HA LYS 4 HA LYS 4 10.319 -8.002 8.778 674 HB2 LYS 4 HB2 LYS 4 9.421 -10.896 8.688 675 HB3 LYS 4 HB3 LYS 4 11.011 -10.452 8.095 676 HG2 LYS 4 HG2 LYS 4 11.207 -11.250 10.363 677 HG3 LYS 4 HG3 LYS 4 11.592 -9.530 10.312 678 HD2 LYS 4 HD2 LYS 4 9.305 -9.022 11.200 679 HD3 LYS 4 HD3 LYS 4 8.975 -10.757 11.292 680 HE2 LYS 4 HE2 LYS 4 10.882 -11.001 12.884 681 HE3 LYS 4 HE3 LYS 4 11.138 -9.255 12.817 682 HZ1 LYS 4 HZ1 LYS 4 8.929 -8.943 13.734 683 HZ2 LYS 4 HZ2 LYS 4 9.878 -9.897 14.756 684 HZ3 LYS 4 HZ3 LYS 4 8.689 -10.613 13.791 685 H ILE 5 H ILE 5 7.969 -9.684 6.713 686 HA ILE 5 HA ILE 5 9.403 -9.732 4.290 687 HB ILE 5 HB ILE 5 6.373 -9.640 4.675 688 HG12 ILE 5 HG12 ILE 5 8.211 -12.072 4.438 689 HG13 ILE 5 HG13 ILE 5 7.505 -11.494 5.942 690 HG21 ILE 5 HG21 ILE 5 6.973 -9.168 2.336 691 HG22 ILE 5 HG22 ILE 5 6.222 -10.759 2.465 692 HG23 ILE 5 HG23 ILE 5 7.972 -10.623 2.279 693 HD11 ILE 5 HD11 ILE 5 5.982 -12.578 3.569 694 HD12 ILE 5 HD12 ILE 5 5.266 -11.992 5.073 695 HD13 ILE 5 HD13 ILE 5 6.306 -13.415 5.087 696 H VAL 6 H VAL 6 7.076 -7.316 5.505 697 HA VAL 6 HA VAL 6 6.942 -5.645 3.251 698 HB VAL 6 HB VAL 6 6.010 -3.901 4.765 699 HG11 VAL 6 HG11 VAL 6 4.533 -5.707 3.960 700 HG12 VAL 6 HG12 VAL 6 4.048 -5.151 5.560 701 HG13 VAL 6 HG13 VAL 6 4.921 -6.675 5.384 702 HG21 VAL 6 HG21 VAL 6 5.778 -4.334 7.204 703 HG22 VAL 6 HG22 VAL 6 7.474 -4.221 6.730 704 HG23 VAL 6 HG23 VAL 6 6.749 -5.802 7.036 705 H GLY 7 H GLY 7 9.261 -5.733 5.917 706 HA2 GLY 7 HA2 GLY 7 10.608 -3.271 5.409 707 HA3 GLY 7 HA3 GLY 7 11.244 -4.641 6.306 708 H ALA 8 H ALA 8 11.286 -6.633 4.434 709 HA ALA 8 HA ALA 8 13.670 -6.169 2.984 710 HB1 ALA 8 HB1 ALA 8 11.655 -8.416 2.649 711 HB2 ALA 8 HB2 ALA 8 12.989 -8.391 3.801 712 HB3 ALA 8 HB3 ALA 8 13.327 -8.427 2.070 713 H ASN 9 H ASN 9 10.289 -6.450 1.874 714 HA ASN 9 HA ASN 9 10.711 -6.016 -0.887 715 HB2 ASN 9 HB2 ASN 9 8.242 -5.615 0.848 716 HB3 ASN 9 HB3 ASN 9 8.225 -5.409 -0.902 717 HD21 ASN 9 HD21 ASN 9 6.759 -7.067 -1.209 718 HD22 ASN 9 HD22 ASN 9 7.155 -8.730 -0.978 719 H ALA 10 H ALA 10 10.103 -3.706 1.782 720 HA ALA 10 HA ALA 10 9.627 -1.414 0.123 721 HB1 ALA 10 HB1 ALA 10 10.438 -1.552 3.048 722 HB2 ALA 10 HB2 ALA 10 8.786 -1.552 2.427 723 HB3 ALA 10 HB3 ALA 10 9.803 -0.127 2.214 724 H GLY 11 H GLY 11 12.491 -2.854 1.587 725 HA2 GLY 11 HA2 GLY 11 14.386 -0.805 1.125 726 HA3 GLY 11 HA3 GLY 11 14.734 -2.522 1.264 727 H LYS 12 H LYS 12 13.211 -3.436 -0.936 728 HA LYS 12 HA LYS 12 15.033 -2.981 -3.109 729 HB2 LYS 12 HB2 LYS 12 13.863 -5.191 -2.513 730 HB3 LYS 12 HB3 LYS 12 12.401 -4.517 -3.227 731 HG2 LYS 12 HG2 LYS 12 13.524 -4.328 -5.403 732 HG3 LYS 12 HG3 LYS 12 15.032 -4.914 -4.691 733 HD2 LYS 12 HD2 LYS 12 13.697 -7.049 -4.076 734 HD3 LYS 12 HD3 LYS 12 12.459 -6.443 -5.184 735 HE2 LYS 12 HE2 LYS 12 15.339 -7.132 -5.870 736 HE3 LYS 12 HE3 LYS 12 13.890 -8.016 -6.356 737 HZ1 LYS 12 HZ1 LYS 12 14.782 -6.602 -8.120 738 HZ2 LYS 12 HZ2 LYS 12 14.527 -5.227 -7.174 739 HZ3 LYS 12 HZ3 LYS 12 13.213 -6.154 -7.693 740 H VAL 13 H VAL 13 11.689 -1.988 -2.399 741 HA VAL 13 HA VAL 13 11.103 -0.770 -4.910 742 HB VAL 13 HB VAL 13 9.860 -0.293 -2.168 743 HG11 VAL 13 HG11 VAL 13 8.833 0.612 -4.892 744 HG12 VAL 13 HG12 VAL 13 9.405 1.663 -3.594 745 HG13 VAL 13 HG13 VAL 13 7.931 0.719 -3.376 746 HG21 VAL 13 HG21 VAL 13 9.576 -2.603 -2.984 747 HG22 VAL 13 HG22 VAL 13 8.916 -2.004 -4.507 748 HG23 VAL 13 HG23 VAL 13 8.028 -1.753 -3.001 749 H TRP 14 H TRP 14 12.371 0.525 -1.861 750 HA TRP 14 HA TRP 14 12.592 3.244 -2.699 751 HB2 TRP 14 HB2 TRP 14 12.607 2.306 -0.275 752 HB3 TRP 14 HB3 TRP 14 14.318 1.987 -0.530 753 HD1 TRP 14 HD1 TRP 14 11.838 4.924 -0.164 754 HE1 TRP 14 HE1 TRP 14 13.166 7.045 0.425 755 HE3 TRP 14 HE3 TRP 14 16.535 3.094 -0.753 756 HZ2 TRP 14 HZ2 TRP 14 15.871 7.842 0.625 757 HZ3 TRP 14 HZ3 TRP 14 18.471 4.583 -0.350 758 HH2 TRP 14 HH2 TRP 14 18.139 6.919 0.324 759 H HIS 15 H HIS 15 14.774 0.471 -2.842 760 HA HIS 15 HA HIS 15 17.090 1.696 -3.891 761 HB2 HIS 15 HB2 HIS 15 17.041 -0.629 -3.021 762 HB3 HIS 15 HB3 HIS 15 16.030 -1.124 -4.373 763 HD1 HIS 15 HD1 HIS 15 19.567 -0.132 -3.528 764 HD2 HIS 15 HD2 HIS 15 17.432 -1.628 -6.769 765 HE1 HIS 15 HE1 HIS 15 21.293 -0.853 -5.199 766 HE2 HIS 15 HE2 HIS 15 19.987 -1.789 -7.130 767 H ALA 16 H ALA 16 14.087 0.684 -5.498 768 HA ALA 16 HA ALA 16 14.979 1.207 -8.192 769 HB1 ALA 16 HB1 ALA 16 12.141 1.097 -7.104 770 HB2 ALA 16 HB2 ALA 16 13.059 -0.272 -7.734 771 HB3 ALA 16 HB3 ALA 16 12.610 1.051 -8.809 772 H LEU 17 H LEU 17 13.418 3.153 -5.669 773 HA LEU 17 HA LEU 17 12.619 5.391 -7.201 774 HB2 LEU 17 HB2 LEU 17 13.297 5.127 -4.256 775 HB3 LEU 17 HB3 LEU 17 12.594 6.581 -4.956 776 HG LEU 17 HG LEU 17 11.260 3.842 -4.985 777 HD11 LEU 17 HD11 LEU 17 11.452 4.719 -2.699 778 HD12 LEU 17 HD12 LEU 17 9.777 4.720 -3.250 779 HD13 LEU 17 HD13 LEU 17 10.688 6.234 -3.202 780 HD21 LEU 17 HD21 LEU 17 10.191 6.579 -5.772 781 HD22 LEU 17 HD22 LEU 17 9.266 5.074 -5.737 782 HD23 LEU 17 HD23 LEU 17 10.594 5.261 -6.878 783 H ASN 18 H ASN 18 15.653 4.866 -5.314 784 HA ASN 18 HA ASN 18 16.712 7.456 -5.901 785 HB2 ASN 18 HB2 ASN 18 18.628 6.847 -4.686 786 HB3 ASN 18 HB3 ASN 18 17.357 5.893 -3.945 787 HD21 ASN 18 HD21 ASN 18 17.371 3.855 -6.088 788 HD22 ASN 18 HD22 ASN 18 18.828 2.970 -5.859 789 H GLU 19 H GLU 19 16.462 4.657 -7.846 790 HA GLU 19 HA GLU 19 18.584 5.307 -9.726 791 HB2 GLU 19 HB2 GLU 19 16.169 3.472 -10.112 792 HB3 GLU 19 HB3 GLU 19 17.597 3.551 -11.143 793 HG2 GLU 19 HG2 GLU 19 17.580 2.659 -8.250 794 HG3 GLU 19 HG3 GLU 19 17.549 1.577 -9.638 795 H ALA 20 H ALA 20 14.994 5.330 -9.822 796 HA ALA 20 HA ALA 20 14.922 7.805 -11.363 797 HB1 ALA 20 HB1 ALA 20 13.737 5.249 -12.512 798 HB2 ALA 20 HB2 ALA 20 15.169 6.080 -13.120 799 HB3 ALA 20 HB3 ALA 20 13.593 6.867 -13.210 800 H ASP 21 H ASP 21 13.665 8.877 -9.930 801 HA ASP 21 HA ASP 21 11.236 7.757 -8.769 802 HB2 ASP 21 HB2 ASP 21 11.053 9.975 -7.640 803 HB3 ASP 21 HB3 ASP 21 12.610 9.199 -7.368 804 H GLY 22 H GLY 22 9.184 9.202 -8.852 805 HA2 GLY 22 HA2 GLY 22 7.481 10.213 -10.052 806 HA3 GLY 22 HA3 GLY 22 8.663 10.708 -11.261 807 H ILE 23 H ILE 23 7.043 7.761 -10.049 808 HA ILE 23 HA ILE 23 6.440 6.838 -12.768 809 HB ILE 23 HB ILE 23 8.716 5.943 -12.229 810 HG12 ILE 23 HG12 ILE 23 6.620 3.732 -12.355 811 HG13 ILE 23 HG13 ILE 23 7.179 4.670 -13.737 812 HG21 ILE 23 HG21 ILE 23 8.529 5.770 -9.790 813 HG22 ILE 23 HG22 ILE 23 9.044 4.234 -10.488 814 HG23 ILE 23 HG23 ILE 23 7.375 4.444 -9.953 815 HD11 ILE 23 HD11 ILE 23 8.227 2.495 -13.673 816 HD12 ILE 23 HD12 ILE 23 8.861 2.809 -12.059 817 HD13 ILE 23 HD13 ILE 23 9.434 3.758 -13.435 818 H SER 24 H SER 24 4.753 5.142 -12.792 819 HA SER 24 HA SER 24 2.892 5.262 -10.560 820 HB2 SER 24 HB2 SER 24 2.788 3.731 -13.187 821 HB3 SER 24 HB3 SER 24 1.468 3.789 -12.018 822 HG SER 24 HG SER 24 1.457 6.084 -12.332 823 H ILE 25 H ILE 25 2.003 3.369 -9.497 824 HA ILE 25 HA ILE 25 3.905 1.690 -8.326 825 HB ILE 25 HB ILE 25 0.886 1.294 -8.371 826 HG12 ILE 25 HG12 ILE 25 2.613 2.765 -6.323 827 HG13 ILE 25 HG13 ILE 25 1.549 3.533 -7.496 828 HG21 ILE 25 HG21 ILE 25 2.024 -0.760 -7.649 829 HG22 ILE 25 HG22 ILE 25 1.185 -0.010 -6.294 830 HG23 ILE 25 HG23 ILE 25 2.936 0.148 -6.438 831 HD11 ILE 25 HD11 ILE 25 0.676 1.750 -5.208 832 HD12 ILE 25 HD12 ILE 25 -0.397 2.498 -6.397 833 HD13 ILE 25 HD13 ILE 25 0.536 3.507 -5.294 834 HA PRO 26 HA PRO 26 2.292 -2.097 -10.998 835 HB2 PRO 26 HB2 PRO 26 1.169 -1.615 -13.474 836 HB3 PRO 26 HB3 PRO 26 0.218 -1.795 -11.990 837 HG2 PRO 26 HG2 PRO 26 1.155 0.741 -13.342 838 HG3 PRO 26 HG3 PRO 26 -0.464 0.346 -12.721 839 HD2 PRO 26 HD2 PRO 26 1.225 1.872 -11.282 840 HD3 PRO 26 HD3 PRO 26 0.174 0.684 -10.476 841 H GLU 27 H GLU 27 3.691 0.734 -12.525 842 HA GLU 27 HA GLU 27 5.361 -0.688 -14.438 843 HB2 GLU 27 HB2 GLU 27 5.438 2.187 -13.411 844 HB3 GLU 27 HB3 GLU 27 6.403 1.571 -14.760 845 HG2 GLU 27 HG2 GLU 27 4.310 1.078 -16.005 846 HG3 GLU 27 HG3 GLU 27 3.374 1.756 -14.667 847 H LEU 28 H LEU 28 5.781 1.040 -11.423 848 HA LEU 28 HA LEU 28 8.450 0.569 -10.774 849 HB2 LEU 28 HB2 LEU 28 7.023 2.211 -9.693 850 HB3 LEU 28 HB3 LEU 28 5.940 0.957 -9.122 851 HG LEU 28 HG LEU 28 7.769 0.139 -7.608 852 HD11 LEU 28 HD11 LEU 28 9.675 1.603 -7.114 853 HD12 LEU 28 HD12 LEU 28 9.213 2.674 -8.438 854 HD13 LEU 28 HD13 LEU 28 9.732 1.019 -8.777 855 HD21 LEU 28 HD21 LEU 28 7.437 1.943 -5.961 856 HD22 LEU 28 HD22 LEU 28 5.943 1.540 -6.813 857 HD23 LEU 28 HD23 LEU 28 6.841 2.998 -7.250 858 H ALA 29 H ALA 29 5.576 -1.428 -10.264 859 HA ALA 29 HA ALA 29 6.602 -3.494 -8.672 860 HB1 ALA 29 HB1 ALA 29 4.446 -3.668 -10.801 861 HB2 ALA 29 HB2 ALA 29 4.208 -3.168 -9.125 862 HB3 ALA 29 HB3 ALA 29 4.707 -4.822 -9.487 863 H ARG 30 H ARG 30 6.654 -3.073 -12.187 864 HA ARG 30 HA ARG 30 7.910 -5.558 -12.871 865 HB2 ARG 30 HB2 ARG 30 7.765 -2.904 -14.363 866 HB3 ARG 30 HB3 ARG 30 8.336 -4.414 -15.072 867 HG2 ARG 30 HG2 ARG 30 6.130 -5.412 -14.860 868 HG3 ARG 30 HG3 ARG 30 5.537 -4.011 -13.962 869 HD2 ARG 30 HD2 ARG 30 4.819 -4.047 -16.368 870 HD3 ARG 30 HD3 ARG 30 5.709 -2.597 -15.909 871 HE ARG 30 HE ARG 30 7.572 -3.348 -17.152 872 HH11 ARG 30 HH11 ARG 30 4.889 -5.507 -17.572 873 HH12 ARG 30 HH12 ARG 30 5.540 -6.175 -19.023 874 HH21 ARG 30 HH21 ARG 30 8.381 -4.227 -18.962 875 HH22 ARG 30 HH22 ARG 30 7.507 -5.454 -19.808 876 H LYS 31 H LYS 31 9.101 -2.265 -12.185 877 HA LYS 31 HA LYS 31 11.847 -2.622 -12.759 878 HB2 LYS 31 HB2 LYS 31 10.638 -0.749 -10.678 879 HB3 LYS 31 HB3 LYS 31 12.233 -0.593 -11.411 880 HG2 LYS 31 HG2 LYS 31 9.574 -0.326 -12.858 881 HG3 LYS 31 HG3 LYS 31 10.613 1.009 -12.357 882 HD2 LYS 31 HD2 LYS 31 11.357 -1.147 -14.386 883 HD3 LYS 31 HD3 LYS 31 10.817 0.485 -14.785 884 HE2 LYS 31 HE2 LYS 31 12.814 1.409 -13.626 885 HE3 LYS 31 HE3 LYS 31 13.353 -0.233 -13.268 886 HZ1 LYS 31 HZ1 LYS 31 12.990 0.930 -15.971 887 HZ2 LYS 31 HZ2 LYS 31 13.491 -0.650 -15.644 888 HZ3 LYS 31 HZ3 LYS 31 14.467 0.654 -15.196 889 H VAL 32 H VAL 32 9.981 -3.275 -9.810 890 HA VAL 32 HA VAL 32 12.382 -4.212 -8.380 891 HB VAL 32 HB VAL 32 11.035 -4.265 -6.356 892 HG11 VAL 32 HG11 VAL 32 10.574 -1.686 -7.905 893 HG12 VAL 32 HG12 VAL 32 12.024 -2.110 -6.988 894 HG13 VAL 32 HG13 VAL 32 10.492 -1.863 -6.149 895 HG21 VAL 32 HG21 VAL 32 8.655 -3.563 -6.303 896 HG22 VAL 32 HG22 VAL 32 8.876 -5.028 -7.261 897 HG23 VAL 32 HG23 VAL 32 8.640 -3.478 -8.069 898 H ASN 33 H ASN 33 10.162 -5.550 -10.441 899 HA ASN 33 HA ASN 33 9.795 -7.646 -11.191 900 HB2 ASN 33 HB2 ASN 33 12.277 -7.906 -10.618 901 HB3 ASN 33 HB3 ASN 33 11.785 -8.662 -9.113 902 HD21 ASN 33 HD21 ASN 33 11.859 -8.992 -12.596 903 HD22 ASN 33 HD22 ASN 33 11.603 -10.697 -12.631 904 H LEU 34 H LEU 34 8.489 -6.529 -8.552 905 HA LEU 34 HA LEU 34 7.353 -9.032 -7.438 906 HB2 LEU 34 HB2 LEU 34 7.206 -6.170 -6.397 907 HB3 LEU 34 HB3 LEU 34 6.539 -7.583 -5.589 908 HG LEU 34 HG LEU 34 9.502 -7.065 -6.079 909 HD11 LEU 34 HD11 LEU 34 8.570 -5.546 -4.403 910 HD12 LEU 34 HD12 LEU 34 9.662 -6.709 -3.660 911 HD13 LEU 34 HD13 LEU 34 7.914 -6.911 -3.493 912 HD21 LEU 34 HD21 LEU 34 9.021 -9.465 -6.100 913 HD22 LEU 34 HD22 LEU 34 8.169 -9.336 -4.561 914 HD23 LEU 34 HD23 LEU 34 9.907 -9.028 -4.639 915 H SER 35 H SER 35 4.956 -8.925 -6.862 916 HA SER 35 HA SER 35 3.227 -8.092 -8.961 917 HB2 SER 35 HB2 SER 35 2.518 -9.884 -7.473 918 HB3 SER 35 HB3 SER 35 2.619 -8.831 -6.064 919 HG SER 35 HG SER 35 0.462 -9.250 -7.123 920 H VAL 36 H VAL 36 1.611 -6.416 -8.965 921 HA VAL 36 HA VAL 36 2.403 -3.835 -8.222 922 HB VAL 36 HB VAL 36 -0.447 -4.790 -8.741 923 HG11 VAL 36 HG11 VAL 36 0.725 -1.989 -8.990 924 HG12 VAL 36 HG12 VAL 36 -0.420 -2.528 -7.761 925 HG13 VAL 36 HG13 VAL 36 -0.914 -2.460 -9.451 926 HG21 VAL 36 HG21 VAL 36 1.631 -3.788 -10.721 927 HG22 VAL 36 HG22 VAL 36 -0.051 -4.156 -11.108 928 HG23 VAL 36 HG23 VAL 36 1.036 -5.445 -10.587 929 H GLU 37 H GLU 37 0.213 -6.090 -6.595 930 HA GLU 37 HA GLU 37 -0.516 -4.462 -4.377 931 HB2 GLU 37 HB2 GLU 37 -0.470 -7.500 -4.602 932 HB3 GLU 37 HB3 GLU 37 -1.302 -6.574 -3.348 933 HG2 GLU 37 HG2 GLU 37 -2.736 -5.534 -5.082 934 HG3 GLU 37 HG3 GLU 37 -1.919 -6.488 -6.320 935 H SER 38 H SER 38 2.062 -6.927 -4.757 936 HA SER 38 HA SER 38 3.139 -6.870 -2.152 937 HB2 SER 38 HB2 SER 38 4.582 -7.430 -4.780 938 HB3 SER 38 HB3 SER 38 5.198 -7.845 -3.177 939 HG SER 38 HG SER 38 4.123 -9.583 -4.314 940 H THR 39 H THR 39 3.614 -4.767 -4.895 941 HA THR 39 HA THR 39 5.914 -3.347 -3.864 942 HB THR 39 HB THR 39 4.131 -2.714 -6.261 943 HG1 THR 39 HG1 THR 39 5.164 -4.427 -6.983 944 HG21 THR 39 HG21 THR 39 6.899 -1.648 -5.566 945 HG22 THR 39 HG22 THR 39 5.402 -0.712 -5.545 946 HG23 THR 39 HG23 THR 39 6.027 -1.344 -7.070 947 H ALA 40 H ALA 40 2.419 -2.560 -4.317 948 HA ALA 40 HA ALA 40 2.515 0.136 -3.426 949 HB1 ALA 40 HB1 ALA 40 0.663 -0.778 -4.771 950 HB2 ALA 40 HB2 ALA 40 0.060 -0.023 -3.295 951 HB3 ALA 40 HB3 ALA 40 0.160 -1.785 -3.412 952 H LEU 41 H LEU 41 1.776 -2.868 -1.731 953 HA LEU 41 HA LEU 41 1.225 -1.867 0.858 954 HB2 LEU 41 HB2 LEU 41 0.473 -4.037 0.179 955 HB3 LEU 41 HB3 LEU 41 2.068 -4.543 -0.295 956 HG LEU 41 HG LEU 41 0.965 -5.632 1.776 957 HD11 LEU 41 HD11 LEU 41 3.260 -6.040 1.123 958 HD12 LEU 41 HD12 LEU 41 3.092 -5.992 2.873 959 HD13 LEU 41 HD13 LEU 41 3.799 -4.618 2.020 960 HD21 LEU 41 HD21 LEU 41 1.290 -4.558 3.939 961 HD22 LEU 41 HD22 LEU 41 0.224 -3.593 2.920 962 HD23 LEU 41 HD23 LEU 41 1.903 -3.097 3.156 963 H ALA 42 H ALA 42 4.255 -2.742 -0.759 964 HA ALA 42 HA ALA 42 5.995 -2.321 1.498 965 HB1 ALA 42 HB1 ALA 42 6.646 -2.409 -1.466 966 HB2 ALA 42 HB2 ALA 42 6.604 -3.793 -0.370 967 HB3 ALA 42 HB3 ALA 42 7.810 -2.527 -0.141 968 H VAL 43 H VAL 43 4.861 -0.258 -1.178 969 HA VAL 43 HA VAL 43 6.398 2.057 -0.710 970 HB VAL 43 HB VAL 43 3.602 1.726 -1.887 971 HG11 VAL 43 HG11 VAL 43 5.281 4.264 -1.891 972 HG12 VAL 43 HG12 VAL 43 3.742 4.033 -1.058 973 HG13 VAL 43 HG13 VAL 43 3.800 4.020 -2.821 974 HG21 VAL 43 HG21 VAL 43 4.711 2.070 -4.065 975 HG22 VAL 43 HG22 VAL 43 5.401 0.687 -3.215 976 HG23 VAL 43 HG23 VAL 43 6.271 2.221 -3.256 977 H GLY 44 H GLY 44 3.349 0.915 0.692 978 HA2 GLY 44 HA2 GLY 44 2.737 3.104 2.360 979 HA3 GLY 44 HA3 GLY 44 2.220 1.445 2.612 980 H TRP 45 H TRP 45 4.961 0.381 2.851 981 HA TRP 45 HA TRP 45 5.481 0.911 5.633 982 HB2 TRP 45 HB2 TRP 45 5.839 -1.332 4.536 983 HB3 TRP 45 HB3 TRP 45 7.224 -0.655 3.684 984 HD1 TRP 45 HD1 TRP 45 9.523 -0.710 4.982 985 HE1 TRP 45 HE1 TRP 45 10.238 -1.354 7.360 986 HE3 TRP 45 HE3 TRP 45 4.893 -1.254 7.123 987 HZ2 TRP 45 HZ2 TRP 45 9.027 -2.021 9.817 988 HZ3 TRP 45 HZ3 TRP 45 4.763 -1.894 9.500 989 HH2 TRP 45 HH2 TRP 45 6.793 -2.270 10.819 990 H LEU 46 H LEU 46 6.977 1.963 2.588 991 HA LEU 46 HA LEU 46 9.094 3.501 3.779 992 HB2 LEU 46 HB2 LEU 46 7.764 3.717 1.053 993 HB3 LEU 46 HB3 LEU 46 9.196 4.626 1.523 994 HG LEU 46 HG LEU 46 9.035 1.588 1.324 995 HD11 LEU 46 HD11 LEU 46 10.457 1.797 -0.660 996 HD12 LEU 46 HD12 LEU 46 10.387 3.558 -0.551 997 HD13 LEU 46 HD13 LEU 46 8.919 2.632 -0.888 998 HD21 LEU 46 HD21 LEU 46 11.424 3.382 1.890 999 HD22 LEU 46 HD22 LEU 46 11.475 1.630 1.660 1000 HD23 LEU 46 HD23 LEU 46 10.625 2.310 3.044 1001 H ALA 47 H ALA 47 5.781 4.241 2.752 1002 HA ALA 47 HA ALA 47 5.681 6.980 3.372 1003 HB1 ALA 47 HB1 ALA 47 3.236 6.719 3.324 1004 HB2 ALA 47 HB2 ALA 47 3.411 4.962 3.405 1005 HB3 ALA 47 HB3 ALA 47 3.989 5.843 1.989 1006 H ARG 48 H ARG 48 5.272 4.127 5.435 1007 HA ARG 48 HA ARG 48 4.490 5.215 7.874 1008 HB2 ARG 48 HB2 ARG 48 4.786 2.844 7.737 1009 HB3 ARG 48 HB3 ARG 48 6.427 3.001 7.138 1010 HG2 ARG 48 HG2 ARG 48 7.093 3.882 9.418 1011 HG3 ARG 48 HG3 ARG 48 5.472 3.470 9.974 1012 HD2 ARG 48 HD2 ARG 48 5.860 1.119 9.533 1013 HD3 ARG 48 HD3 ARG 48 7.413 1.473 8.759 1014 HE ARG 48 HE ARG 48 6.851 1.861 11.645 1015 HH11 ARG 48 HH11 ARG 48 9.096 1.087 9.138 1016 HH12 ARG 48 HH12 ARG 48 10.383 0.774 10.246 1017 HH21 ARG 48 HH21 ARG 48 8.522 1.446 13.043 1018 HH22 ARG 48 HH22 ARG 48 10.055 0.964 12.416 1019 H GLU 49 H GLU 49 7.749 5.064 6.473 1020 HA GLU 49 HA GLU 49 8.928 6.634 8.655 1021 HB2 GLU 49 HB2 GLU 49 10.235 5.158 6.331 1022 HB3 GLU 49 HB3 GLU 49 11.089 5.920 7.672 1023 HG2 GLU 49 HG2 GLU 49 9.143 3.593 7.956 1024 HG3 GLU 49 HG3 GLU 49 10.898 3.431 7.871 1025 H ASN 50 H ASN 50 7.361 7.486 5.958 1026 HA ASN 50 HA ASN 50 7.158 9.341 4.673 1027 HB2 ASN 50 HB2 ASN 50 9.038 10.524 6.758 1028 HB3 ASN 50 HB3 ASN 50 8.248 11.485 5.510 1029 HD21 ASN 50 HD21 ASN 50 7.175 12.725 7.048 1030 HD22 ASN 50 HD22 ASN 50 5.863 12.105 7.990 1031 H LYS 51 H LYS 51 9.346 7.411 4.061 1032 HA LYS 51 HA LYS 51 11.555 8.900 2.941 1033 HB2 LYS 51 HB2 LYS 51 10.834 5.953 2.704 1034 HB3 LYS 51 HB3 LYS 51 12.365 6.674 2.201 1035 HG2 LYS 51 HG2 LYS 51 12.812 7.324 4.557 1036 HG3 LYS 51 HG3 LYS 51 11.291 6.569 5.042 1037 HD2 LYS 51 HD2 LYS 51 13.112 5.046 5.537 1038 HD3 LYS 51 HD3 LYS 51 12.166 4.372 4.208 1039 HE2 LYS 51 HE2 LYS 51 13.857 5.138 2.594 1040 HE3 LYS 51 HE3 LYS 51 14.779 5.901 3.888 1041 HZ1 LYS 51 HZ1 LYS 51 15.060 3.692 4.877 1042 HZ2 LYS 51 HZ2 LYS 51 15.743 3.811 3.334 1043 HZ3 LYS 51 HZ3 LYS 51 14.278 3.001 3.549 1044 H VAL 52 H VAL 52 8.461 8.504 1.803 1045 HA VAL 52 HA VAL 52 9.285 8.793 -1.032 1046 HB VAL 52 HB VAL 52 7.127 7.737 -1.722 1047 HG11 VAL 52 HG11 VAL 52 8.848 5.946 0.029 1048 HG12 VAL 52 HG12 VAL 52 9.158 6.362 -1.657 1049 HG13 VAL 52 HG13 VAL 52 7.743 5.398 -1.236 1050 HG21 VAL 52 HG21 VAL 52 5.784 8.175 0.306 1051 HG22 VAL 52 HG22 VAL 52 6.787 7.053 1.231 1052 HG23 VAL 52 HG23 VAL 52 5.771 6.451 -0.084 1053 H VAL 53 H VAL 53 8.232 10.338 -2.261 1054 HA VAL 53 HA VAL 53 6.339 12.186 -0.913 1055 HB VAL 53 HB VAL 53 7.895 12.663 -3.496 1056 HG11 VAL 53 HG11 VAL 53 7.327 15.050 -3.163 1057 HG12 VAL 53 HG12 VAL 53 6.373 14.625 -1.739 1058 HG13 VAL 53 HG13 VAL 53 5.877 14.055 -3.336 1059 HG21 VAL 53 HG21 VAL 53 9.439 14.081 -2.196 1060 HG22 VAL 53 HG22 VAL 53 9.495 12.406 -1.647 1061 HG23 VAL 53 HG23 VAL 53 8.623 13.615 -0.702 1062 H ILE 54 H ILE 54 4.195 11.955 -1.491 1063 HA ILE 54 HA ILE 54 3.522 10.460 -3.971 1064 HB ILE 54 HB ILE 54 1.962 10.593 -1.346 1065 HG12 ILE 54 HG12 ILE 54 4.014 9.208 -1.139 1066 HG13 ILE 54 HG13 ILE 54 2.563 8.221 -1.029 1067 HG21 ILE 54 HG21 ILE 54 0.420 10.371 -3.230 1068 HG22 ILE 54 HG22 ILE 54 0.485 8.854 -2.337 1069 HG23 ILE 54 HG23 ILE 54 1.343 9.009 -3.872 1070 HD11 ILE 54 HD11 ILE 54 2.901 7.482 -3.343 1071 HD12 ILE 54 HD12 ILE 54 4.288 7.122 -2.317 1072 HD13 ILE 54 HD13 ILE 54 4.358 8.477 -3.441 1073 H GLU 55 H GLU 55 2.316 11.518 -5.470 1074 HA GLU 55 HA GLU 55 0.383 13.592 -4.627 1075 HB2 GLU 55 HB2 GLU 55 0.918 14.801 -6.849 1076 HB3 GLU 55 HB3 GLU 55 2.058 14.982 -5.522 1077 HG2 GLU 55 HG2 GLU 55 3.466 13.196 -6.604 1078 HG3 GLU 55 HG3 GLU 55 2.356 13.227 -7.979 1079 H ARG 56 H ARG 56 -1.619 13.381 -5.454 1080 HA ARG 56 HA ARG 56 -2.213 11.118 -7.200 1081 HB2 ARG 56 HB2 ARG 56 -4.044 13.024 -5.685 1082 HB3 ARG 56 HB3 ARG 56 -4.606 11.659 -6.657 1083 HG2 ARG 56 HG2 ARG 56 -3.300 10.120 -5.176 1084 HG3 ARG 56 HG3 ARG 56 -2.867 11.509 -4.167 1085 HD2 ARG 56 HD2 ARG 56 -5.208 11.879 -3.606 1086 HD3 ARG 56 HD3 ARG 56 -5.717 10.601 -4.723 1087 HE ARG 56 HE ARG 56 -4.056 10.107 -2.324 1088 HH11 ARG 56 HH11 ARG 56 -6.658 9.189 -4.387 1089 HH12 ARG 56 HH12 ARG 56 -7.013 7.771 -3.477 1090 HH21 ARG 56 HH21 ARG 56 -4.522 8.263 -1.180 1091 HH22 ARG 56 HH22 ARG 56 -5.825 7.255 -1.685 1092 H LYS 57 H LYS 57 -1.893 11.511 -9.269 1093 HA LYS 57 HA LYS 57 -2.801 14.023 -10.545 1094 HB2 LYS 57 HB2 LYS 57 -0.662 12.007 -11.343 1095 HB3 LYS 57 HB3 LYS 57 -1.122 13.403 -12.319 1096 HG2 LYS 57 HG2 LYS 57 -0.284 14.937 -10.677 1097 HG3 LYS 57 HG3 LYS 57 -0.087 13.652 -9.481 1098 HD2 LYS 57 HD2 LYS 57 2.077 14.297 -10.411 1099 HD3 LYS 57 HD3 LYS 57 1.690 12.634 -10.840 1100 HE2 LYS 57 HE2 LYS 57 1.022 13.380 -13.109 1101 HE3 LYS 57 HE3 LYS 57 1.407 15.049 -12.675 1102 HZ1 LYS 57 HZ1 LYS 57 3.697 14.397 -12.339 1103 HZ2 LYS 57 HZ2 LYS 57 3.197 13.985 -13.899 1104 HZ3 LYS 57 HZ3 LYS 57 3.334 12.794 -12.706 1105 H ASN 58 H ASN 58 -4.715 13.766 -11.490 1106 HA ASN 58 HA ASN 58 -6.481 13.049 -12.712 1107 HB2 ASN 58 HB2 ASN 58 -4.484 11.187 -14.055 1108 HB3 ASN 58 HB3 ASN 58 -6.048 11.663 -14.710 1109 HD21 ASN 58 HD21 ASN 58 -3.379 11.982 -15.831 1110 HD22 ASN 58 HD22 ASN 58 -3.176 13.670 -16.118 1111 H GLY 59 H GLY 59 -5.947 11.698 -10.160 1112 HA2 GLY 59 HA2 GLY 59 -7.263 10.163 -8.966 1113 HA3 GLY 59 HA3 GLY 59 -7.690 9.353 -10.460 1114 H LEU 60 H LEU 60 -4.561 9.509 -10.949 1115 HA LEU 60 HA LEU 60 -4.002 6.839 -9.865 1116 HB2 LEU 60 HB2 LEU 60 -2.668 8.499 -12.043 1117 HB3 LEU 60 HB3 LEU 60 -1.973 7.003 -11.443 1118 HG LEU 60 HG LEU 60 -4.047 5.783 -12.200 1119 HD11 LEU 60 HD11 LEU 60 -5.666 7.603 -12.251 1120 HD12 LEU 60 HD12 LEU 60 -5.556 6.827 -13.829 1121 HD13 LEU 60 HD13 LEU 60 -4.778 8.389 -13.560 1122 HD21 LEU 60 HD21 LEU 60 -2.018 5.757 -13.553 1123 HD22 LEU 60 HD22 LEU 60 -2.516 7.242 -14.369 1124 HD23 LEU 60 HD23 LEU 60 -3.450 5.759 -14.581 1125 H ILE 61 H ILE 61 -2.153 6.347 -8.618 1126 HA ILE 61 HA ILE 61 -1.058 8.492 -6.983 1127 HB ILE 61 HB ILE 61 -0.482 5.496 -6.910 1128 HG12 ILE 61 HG12 ILE 61 -2.853 6.009 -6.395 1129 HG13 ILE 61 HG13 ILE 61 -2.015 5.407 -4.975 1130 HG21 ILE 61 HG21 ILE 61 0.238 7.637 -4.869 1131 HG22 ILE 61 HG22 ILE 61 1.370 6.749 -5.893 1132 HG23 ILE 61 HG23 ILE 61 0.458 5.896 -4.648 1133 HD11 ILE 61 HD11 ILE 61 -3.533 7.200 -4.419 1134 HD12 ILE 61 HD12 ILE 61 -2.710 8.288 -5.535 1135 HD13 ILE 61 HD13 ILE 61 -1.870 7.690 -4.099 1136 H GLU 62 H GLU 62 0.829 9.522 -7.326 1137 HA GLU 62 HA GLU 62 2.890 8.425 -9.163 1138 HB2 GLU 62 HB2 GLU 62 1.788 10.614 -9.782 1139 HB3 GLU 62 HB3 GLU 62 2.405 11.314 -8.299 1140 HG2 GLU 62 HG2 GLU 62 3.897 12.064 -9.929 1141 HG3 GLU 62 HG3 GLU 62 4.749 10.717 -9.182 1142 H ILE 63 H ILE 63 4.805 7.758 -8.177 1143 HA ILE 63 HA ILE 63 5.261 8.574 -5.354 1144 HB ILE 63 HB ILE 63 4.827 6.151 -5.643 1145 HG12 ILE 63 HG12 ILE 63 7.684 6.797 -4.782 1146 HG13 ILE 63 HG13 ILE 63 6.253 6.857 -3.759 1147 HG21 ILE 63 HG21 ILE 63 7.345 6.083 -7.331 1148 HG22 ILE 63 HG22 ILE 63 5.699 5.820 -7.905 1149 HG23 ILE 63 HG23 ILE 63 6.433 4.672 -6.790 1150 HD11 ILE 63 HD11 ILE 63 7.512 4.396 -4.965 1151 HD12 ILE 63 HD12 ILE 63 6.010 4.410 -4.037 1152 HD13 ILE 63 HD13 ILE 63 7.525 4.885 -3.271 1153 H TYR 64 H TYR 64 7.154 9.426 -4.722 1154 HA TYR 64 HA TYR 64 9.472 9.610 -6.569 1155 HB2 TYR 64 HB2 TYR 64 8.424 11.815 -4.733 1156 HB3 TYR 64 HB3 TYR 64 9.940 11.896 -5.616 1157 HD1 TYR 64 HD2 TYR 64 6.233 11.911 -5.978 1158 HD2 TYR 64 HD1 TYR 64 9.969 12.474 -7.983 1159 HE1 TYR 64 HE2 TYR 64 5.076 12.878 -7.893 1160 HE2 TYR 64 HE1 TYR 64 8.783 13.457 -9.903 1161 HH TYR 64 HH TYR 64 5.468 14.347 -9.734 1162 H ASN 65 H ASN 65 11.487 10.227 -5.349 1163 HA ASN 65 HA ASN 65 11.813 8.581 -2.945 1164 HB2 ASN 65 HB2 ASN 65 13.408 8.563 -4.995 1165 HB3 ASN 65 HB3 ASN 65 13.972 10.137 -4.432 1166 HD21 ASN 65 HD21 ASN 65 16.068 9.295 -4.102 1167 HD22 ASN 65 HD22 ASN 65 16.429 8.244 -2.781 1168 H GLU 66 H GLU 66 12.990 9.465 -1.060 1169 HA GLU 66 HA GLU 66 12.282 12.175 -0.354 1170 HB2 GLU 66 HB2 GLU 66 12.831 9.834 1.107 1171 HB3 GLU 66 HB3 GLU 66 14.188 10.881 1.493 1172 HG2 GLU 66 HG2 GLU 66 11.259 11.648 1.817 1173 HG3 GLU 66 HG3 GLU 66 12.279 11.014 3.109 1174 H GLY 67 H GLY 67 14.649 12.984 1.165 1175 HA2 GLY 67 HA2 GLY 67 16.281 14.572 0.785 1176 HA3 GLY 67 HA3 GLY 67 16.624 13.790 -0.755 1177 H HIS 68 H HIS 68 13.367 14.704 -0.134 1178 HA HIS 68 HA HIS 68 13.490 16.806 -2.222 1179 HB2 HIS 68 HB2 HIS 68 12.410 14.533 -2.758 1180 HB3 HIS 68 HB3 HIS 68 11.144 14.951 -1.614 1181 HD1 HIS 68 HD1 HIS 68 12.338 15.565 -5.060 1182 HD2 HIS 68 HD2 HIS 68 9.389 17.057 -2.534 1183 HE1 HIS 68 HE1 HIS 68 10.773 16.844 -6.538 1184 HE2 HIS 68 HE2 HIS 68 9.021 17.777 -4.998 1185 H PHE 69 H PHE 69 11.872 15.764 0.797 1186 HA PHE 69 HA PHE 69 10.200 18.067 1.113 1187 HB2 PHE 69 HB2 PHE 69 11.150 16.001 3.147 1188 HB3 PHE 69 HB3 PHE 69 9.972 17.254 3.513 1189 HD1 PHE 69 HD1 PHE 69 8.067 17.295 1.416 1190 HD2 PHE 69 HD2 PHE 69 10.125 13.894 2.999 1191 HE1 PHE 69 HE1 PHE 69 6.215 15.834 0.713 1192 HE2 PHE 69 HE2 PHE 69 8.273 12.439 2.282 1193 HZ PHE 69 HZ PHE 69 6.318 13.409 1.140 1194 H ASP 70 H ASP 70 10.480 19.927 2.340 1195 HA ASP 70 HA ASP 70 13.096 21.030 2.513 1196 HB2 ASP 70 HB2 ASP 70 10.449 22.070 3.610 1197 HB3 ASP 70 HB3 ASP 70 11.926 23.022 3.470 1198 H PHE 71 H PHE 71 14.068 22.037 4.417 1199 HA PHE 71 HA PHE 71 14.158 20.255 6.707 1200 HB2 PHE 71 HB2 PHE 71 16.086 21.668 7.442 1201 HB3 PHE 71 HB3 PHE 71 16.273 21.039 5.814 1202 HD1 PHE 71 HD2 PHE 71 15.686 24.120 7.808 1203 HD2 PHE 71 HD1 PHE 71 16.374 22.546 3.886 1204 HE1 PHE 71 HE2 PHE 71 16.161 26.388 6.973 1205 HE2 PHE 71 HE1 PHE 71 16.850 24.818 3.067 1206 HZ PHE 71 HZ PHE 71 16.745 26.735 4.607 1207 H SER 72 H SER 72 11.841 22.262 6.171 1208 HA SER 72 HA SER 72 11.716 24.126 8.302 1209 HB2 SER 72 HB2 SER 72 9.252 24.195 7.722 1210 HB3 SER 72 HB3 SER 72 10.315 24.421 6.336 1211 HG SER 72 HG SER 72 9.009 22.000 7.067 1212 H PHE 73 H PHE 73 12.077 23.290 10.341 1213 HA PHE 73 HA PHE 73 10.676 20.905 11.300 1214 HB2 PHE 73 HB2 PHE 73 12.030 21.122 13.336 1215 HB3 PHE 73 HB3 PHE 73 13.065 21.251 11.924 1216 HD1 PHE 73 HD2 PHE 73 13.966 23.525 11.246 1217 HD2 PHE 73 HD1 PHE 73 11.900 22.921 14.948 1218 HE1 PHE 73 HE2 PHE 73 14.893 25.634 12.116 1219 HE2 PHE 73 HE1 PHE 73 12.832 25.032 15.805 1220 HZ PHE 73 HZ PHE 73 14.326 26.385 14.392 1221 H GLY 74 H GLY 74 9.443 20.930 13.334 1222 HA2 GLY 74 HA2 GLY 74 7.537 23.137 13.484 1223 HA3 GLY 74 HA3 GLY 74 7.460 21.612 14.347 1224 H LEU 75 H LEU 75 7.282 22.137 16.464 1225 HA LEU 75 HA LEU 75 8.958 24.231 17.677 1226 HB2 LEU 75 HB2 LEU 75 6.765 22.472 18.847 1227 HB3 LEU 75 HB3 LEU 75 7.670 23.644 19.782 1228 HG LEU 75 HG LEU 75 5.542 24.609 19.289 1229 HD11 LEU 75 HD11 LEU 75 7.577 25.895 17.457 1230 HD12 LEU 75 HD12 LEU 75 7.406 26.163 19.193 1231 HD13 LEU 75 HD13 LEU 75 6.116 26.658 18.100 1232 HD21 LEU 75 HD21 LEU 75 4.876 23.188 17.409 1233 HD22 LEU 75 HD22 LEU 75 5.988 24.051 16.340 1234 HD23 LEU 75 HD23 LEU 75 4.606 24.894 17.051 1235 H GLU 76 H GLU 76 8.977 20.877 17.150 1236 HA GLU 76 HA GLU 76 10.525 19.977 19.381 1237 HB2 GLU 76 HB2 GLU 76 9.818 18.762 16.677 1238 HB3 GLU 76 HB3 GLU 76 10.858 17.927 17.819 1239 HG2 GLU 76 HG2 GLU 76 8.481 17.165 17.873 1240 HG3 GLU 76 HG3 GLU 76 9.089 17.723 19.432 1241 H HIS 77 H HIS 77 12.391 21.027 19.647 1242 HA HIS 77 HA HIS 77 14.358 21.344 17.466 1243 HB2 HIS 77 HB2 HIS 77 15.512 22.838 19.196 1244 HB3 HIS 77 HB3 HIS 77 13.947 23.403 18.621 1245 HD1 HIS 77 HD1 HIS 77 12.055 23.616 20.333 1246 HD2 HIS 77 HD2 HIS 77 15.501 21.927 21.932 1247 HE1 HIS 77 HE1 HIS 77 11.685 23.550 22.816 1248 HE2 HIS 77 HE2 HIS 77 13.824 22.640 23.763 1249 H HIS 78 H HIS 78 16.538 20.645 17.744 1250 HA HIS 78 HA HIS 78 16.754 18.111 19.173 1251 HB2 HIS 78 HB2 HIS 78 18.984 17.945 17.915 1252 HB3 HIS 78 HB3 HIS 78 17.521 17.975 16.942 1253 HD1 HIS 78 HD1 HIS 78 20.534 20.059 17.792 1254 HD2 HIS 78 HD2 HIS 78 17.294 20.157 15.189 1255 HE1 HIS 78 HE1 HIS 78 21.044 21.886 16.156 1256 HE2 HIS 78 HE2 HIS 78 19.138 21.844 14.514 1257 H HIS 79 H HIS 79 16.763 18.911 21.326 1258 HA HIS 79 HA HIS 79 19.129 20.384 22.291 1259 HB2 HIS 79 HB2 HIS 79 16.757 20.966 23.022 1260 HB3 HIS 79 HB3 HIS 79 16.693 19.426 23.866 1261 HD1 HIS 79 HD1 HIS 79 18.905 22.544 23.874 1262 HD2 HIS 79 HD2 HIS 79 17.414 19.677 26.488 1263 HE1 HIS 79 HE1 HIS 79 19.677 23.251 26.156 1264 HE2 HIS 79 HE2 HIS 79 18.755 21.512 27.719 1265 H HIS 80 H HIS 80 19.577 17.765 21.240 1266 HA HIS 80 HA HIS 80 20.793 16.453 23.586 1267 HB2 HIS 80 HB2 HIS 80 19.274 15.009 21.362 1268 HB3 HIS 80 HB3 HIS 80 20.287 14.200 22.555 1269 HD1 HIS 80 HD1 HIS 80 16.864 15.262 21.993 1270 HD2 HIS 80 HD2 HIS 80 19.272 14.626 25.324 1271 HE1 HIS 80 HE1 HIS 80 15.288 15.067 23.934 1272 HE2 HIS 80 HE2 HIS 80 16.775 14.891 25.947 1273 H HIS 81 H HIS 81 22.867 15.765 23.264 1274 HA HIS 81 HA HIS 81 24.166 16.674 20.767 1275 HB2 HIS 81 HB2 HIS 81 25.424 16.143 23.493 1276 HB3 HIS 81 HB3 HIS 81 26.203 16.911 22.113 1277 HD1 HIS 81 HD1 HIS 81 25.824 19.423 21.807 1278 HD2 HIS 81 HD2 HIS 81 23.458 17.795 24.817 1279 HE1 HIS 81 HE1 HIS 81 24.736 21.379 22.943 1280 HE2 HIS 81 HE2 HIS 81 23.321 20.380 24.764 1281 H HIS 82 H HIS 82 24.450 15.008 19.340 1282 HA HIS 82 HA HIS 82 25.990 12.649 20.165 1283 HB2 HIS 82 HB2 HIS 82 23.469 12.089 20.231 1284 HB3 HIS 82 HB3 HIS 82 23.459 12.298 18.489 1285 HD1 HIS 82 HD1 HIS 82 23.914 9.807 21.049 1286 HD2 HIS 82 HD2 HIS 82 25.310 10.322 17.168 1287 HE1 HIS 82 HE1 HIS 82 24.697 7.539 20.312 1288 HE2 HIS 82 HE2 HIS 82 25.665 7.907 18.028 Start of MODEL 20 1 H1 MET 1 H1 MET 1 0.877 16.311 2.661 2 H2 MET 1 H2 MET 1 1.195 17.200 1.260 3 H3 MET 1 H3 MET 1 1.134 15.511 1.192 4 HA MET 1 HA MET 1 -1.132 17.324 1.803 5 HB2 MET 1 HB2 MET 1 -0.533 17.406 -0.564 6 HB3 MET 1 HB3 MET 1 -0.470 15.651 -0.652 7 HG2 MET 1 HG2 MET 1 -2.910 15.555 -0.259 8 HG3 MET 1 HG3 MET 1 -2.964 17.320 -0.220 9 HE1 MET 1 HE1 MET 1 -4.696 15.309 -2.149 10 HE2 MET 1 HE2 MET 1 -4.669 16.225 -3.656 11 HE3 MET 1 HE3 MET 1 -4.933 17.056 -2.124 12 H ASP 2 H ASP 2 -0.222 13.949 1.001 13 HA ASP 2 HA ASP 2 -2.717 12.797 1.417 14 HB2 ASP 2 HB2 ASP 2 0.077 11.714 1.172 15 HB3 ASP 2 HB3 ASP 2 -1.187 10.606 1.690 16 H LYS 3 H LYS 3 -0.248 13.411 3.929 17 HA LYS 3 HA LYS 3 -0.800 11.284 5.650 18 HB2 LYS 3 HB2 LYS 3 0.215 14.067 6.267 19 HB3 LYS 3 HB3 LYS 3 0.131 12.795 7.486 20 HG2 LYS 3 HG2 LYS 3 1.610 11.374 6.066 21 HG3 LYS 3 HG3 LYS 3 1.738 12.708 4.912 22 HD2 LYS 3 HD2 LYS 3 2.796 14.117 6.630 23 HD3 LYS 3 HD3 LYS 3 2.617 12.826 7.826 24 HE2 LYS 3 HE2 LYS 3 4.132 11.393 6.520 25 HE3 LYS 3 HE3 LYS 3 4.281 12.651 5.288 26 HZ1 LYS 3 HZ1 LYS 3 6.154 12.661 6.792 27 HZ2 LYS 3 HZ2 LYS 3 5.135 12.892 8.120 28 HZ3 LYS 3 HZ3 LYS 3 5.279 14.098 6.944 29 H LYS 4 H LYS 4 -2.625 14.338 5.474 30 HA LYS 4 HA LYS 4 -4.341 13.686 7.728 31 HB2 LYS 4 HB2 LYS 4 -4.437 15.872 5.622 32 HB3 LYS 4 HB3 LYS 4 -5.743 15.657 6.783 33 HG2 LYS 4 HG2 LYS 4 -2.845 16.234 7.486 34 HG3 LYS 4 HG3 LYS 4 -4.157 17.417 7.479 35 HD2 LYS 4 HD2 LYS 4 -5.326 16.042 9.242 36 HD3 LYS 4 HD3 LYS 4 -3.917 14.977 9.292 37 HE2 LYS 4 HE2 LYS 4 -3.939 17.939 9.981 38 HE3 LYS 4 HE3 LYS 4 -3.865 16.606 11.134 39 HZ1 LYS 4 HZ1 LYS 4 -1.682 17.553 10.753 40 HZ2 LYS 4 HZ2 LYS 4 -1.798 17.249 9.093 41 HZ3 LYS 4 HZ3 LYS 4 -1.728 15.958 10.183 42 H ILE 5 H ILE 5 -4.591 13.477 4.191 43 HA ILE 5 HA ILE 5 -7.289 12.668 3.943 44 HB ILE 5 HB ILE 5 -4.933 11.948 2.137 45 HG12 ILE 5 HG12 ILE 5 -6.859 14.309 1.933 46 HG13 ILE 5 HG13 ILE 5 -5.184 14.407 2.467 47 HG21 ILE 5 HG21 ILE 5 -7.907 11.936 1.489 48 HG22 ILE 5 HG22 ILE 5 -6.874 10.515 1.659 49 HG23 ILE 5 HG23 ILE 5 -6.604 11.645 0.331 50 HD11 ILE 5 HD11 ILE 5 -4.448 13.669 0.240 51 HD12 ILE 5 HD12 ILE 5 -5.398 15.153 0.183 52 HD13 ILE 5 HD13 ILE 5 -6.134 13.623 -0.287 53 H VAL 6 H VAL 6 -4.325 10.744 4.109 54 HA VAL 6 HA VAL 6 -5.564 8.190 3.976 55 HB VAL 6 HB VAL 6 -3.340 7.244 4.131 56 HG11 VAL 6 HG11 VAL 6 -3.893 8.326 1.994 57 HG12 VAL 6 HG12 VAL 6 -2.168 8.463 2.332 58 HG13 VAL 6 HG13 VAL 6 -3.224 9.858 2.571 59 HG21 VAL 6 HG21 VAL 6 -2.463 8.531 6.056 60 HG22 VAL 6 HG22 VAL 6 -2.345 9.978 5.055 61 HG23 VAL 6 HG23 VAL 6 -1.325 8.581 4.706 62 H GLY 7 H GLY 7 -4.493 10.299 6.607 63 HA2 GLY 7 HA2 GLY 7 -4.800 8.455 8.758 64 HA3 GLY 7 HA3 GLY 7 -4.912 10.207 8.870 65 H ALA 8 H ALA 8 -7.080 10.568 7.056 66 HA ALA 8 HA ALA 8 -9.360 10.041 8.715 67 HB1 ALA 8 HB1 ALA 8 -9.231 11.148 5.886 68 HB2 ALA 8 HB2 ALA 8 -9.147 12.098 7.369 69 HB3 ALA 8 HB3 ALA 8 -10.628 11.228 6.970 70 H ASN 9 H ASN 9 -8.493 8.889 5.400 71 HA ASN 9 HA ASN 9 -10.817 7.244 5.154 72 HB2 ASN 9 HB2 ASN 9 -9.913 6.552 2.975 73 HB3 ASN 9 HB3 ASN 9 -9.836 8.293 3.175 74 HD21 ASN 9 HD21 ASN 9 -8.221 8.632 1.673 75 HD22 ASN 9 HD22 ASN 9 -6.598 8.077 1.874 76 H ALA 10 H ALA 10 -7.621 6.613 6.426 77 HA ALA 10 HA ALA 10 -7.635 3.763 6.250 78 HB1 ALA 10 HB1 ALA 10 -5.884 3.810 7.984 79 HB2 ALA 10 HB2 ALA 10 -6.204 5.522 8.274 80 HB3 ALA 10 HB3 ALA 10 -5.559 4.996 6.720 81 H GLY 11 H GLY 11 -9.129 6.056 8.439 82 HA2 GLY 11 HA2 GLY 11 -9.959 4.305 10.517 83 HA3 GLY 11 HA3 GLY 11 -10.728 5.822 10.075 84 H LYS 12 H LYS 12 -11.390 5.129 7.378 85 HA LYS 12 HA LYS 12 -13.827 3.642 7.770 86 HB2 LYS 12 HB2 LYS 12 -13.891 5.575 6.318 87 HB3 LYS 12 HB3 LYS 12 -12.606 4.932 5.305 88 HG2 LYS 12 HG2 LYS 12 -14.054 3.232 4.404 89 HG3 LYS 12 HG3 LYS 12 -15.311 3.589 5.582 90 HD2 LYS 12 HD2 LYS 12 -15.804 4.431 3.266 91 HD3 LYS 12 HD3 LYS 12 -15.849 5.682 4.504 92 HE2 LYS 12 HE2 LYS 12 -13.328 5.261 2.893 93 HE3 LYS 12 HE3 LYS 12 -14.678 6.155 2.197 94 HZ1 LYS 12 HZ1 LYS 12 -13.035 7.575 3.304 95 HZ2 LYS 12 HZ2 LYS 12 -13.386 6.841 4.781 96 HZ3 LYS 12 HZ3 LYS 12 -14.574 7.727 3.973 97 H VAL 13 H VAL 13 -10.751 2.979 5.996 98 HA VAL 13 HA VAL 13 -11.666 0.478 4.924 99 HB VAL 13 HB VAL 13 -9.424 0.011 4.156 100 HG11 VAL 13 HG11 VAL 13 -9.958 2.989 3.876 101 HG12 VAL 13 HG12 VAL 13 -10.637 1.709 2.868 102 HG13 VAL 13 HG13 VAL 13 -8.902 2.030 2.834 103 HG21 VAL 13 HG21 VAL 13 -8.422 2.264 5.930 104 HG22 VAL 13 HG22 VAL 13 -7.444 1.383 4.757 105 HG23 VAL 13 HG23 VAL 13 -8.115 0.544 6.154 106 H TRP 14 H TRP 14 -9.906 1.368 7.847 107 HA TRP 14 HA TRP 14 -9.586 -1.281 8.883 108 HB2 TRP 14 HB2 TRP 14 -8.270 0.743 9.704 109 HB3 TRP 14 HB3 TRP 14 -9.717 1.268 10.559 110 HD1 TRP 14 HD1 TRP 14 -7.199 -1.684 10.526 111 HE1 TRP 14 HE1 TRP 14 -7.196 -2.779 12.849 112 HE3 TRP 14 HE3 TRP 14 -10.957 1.008 12.682 113 HZ2 TRP 14 HZ2 TRP 14 -8.596 -2.531 15.280 114 HZ3 TRP 14 HZ3 TRP 14 -11.575 0.523 15.023 115 HH2 TRP 14 HH2 TRP 14 -10.413 -1.217 16.295 116 H HIS 15 H HIS 15 -12.187 1.124 9.099 117 HA HIS 15 HA HIS 15 -13.821 -0.128 11.036 118 HB2 HIS 15 HB2 HIS 15 -14.219 2.176 10.184 119 HB3 HIS 15 HB3 HIS 15 -14.692 1.521 8.622 120 HD1 HIS 15 HD1 HIS 15 -15.812 1.480 12.246 121 HD2 HIS 15 HD2 HIS 15 -17.384 0.927 8.435 122 HE1 HIS 15 HE1 HIS 15 -18.284 1.237 12.568 123 HE2 HIS 15 HE2 HIS 15 -19.194 0.745 10.276 124 H ALA 16 H ALA 16 -13.735 -0.496 7.498 125 HA ALA 16 HA ALA 16 -15.777 -2.466 7.222 126 HB1 ALA 16 HB1 ALA 16 -13.443 -1.794 5.392 127 HB2 ALA 16 HB2 ALA 16 -15.035 -1.038 5.364 128 HB3 ALA 16 HB3 ALA 16 -14.864 -2.739 4.937 129 H LEU 17 H LEU 17 -12.307 -2.622 7.720 130 HA LEU 17 HA LEU 17 -11.888 -5.422 7.468 131 HB2 LEU 17 HB2 LEU 17 -10.079 -3.838 7.211 132 HB3 LEU 17 HB3 LEU 17 -10.344 -3.169 8.800 133 HG LEU 17 HG LEU 17 -8.250 -4.644 8.376 134 HD11 LEU 17 HD11 LEU 17 -9.929 -5.234 10.821 135 HD12 LEU 17 HD12 LEU 17 -8.866 -3.847 10.588 136 HD13 LEU 17 HD13 LEU 17 -8.184 -5.470 10.654 137 HD21 LEU 17 HD21 LEU 17 -9.387 -6.492 7.255 138 HD22 LEU 17 HD22 LEU 17 -10.257 -6.882 8.742 139 HD23 LEU 17 HD23 LEU 17 -8.503 -7.039 8.674 140 H ASN 18 H ASN 18 -12.563 -3.342 10.285 141 HA ASN 18 HA ASN 18 -12.272 -5.434 12.246 142 HB2 ASN 18 HB2 ASN 18 -11.773 -2.985 12.683 143 HB3 ASN 18 HB3 ASN 18 -13.503 -2.661 12.624 144 HD21 ASN 18 HD21 ASN 18 -14.806 -3.386 14.369 145 HD22 ASN 18 HD22 ASN 18 -14.116 -3.894 15.864 146 H GLU 19 H GLU 19 -14.861 -4.134 10.341 147 HA GLU 19 HA GLU 19 -17.106 -5.143 11.814 148 HB2 GLU 19 HB2 GLU 19 -17.251 -3.244 10.214 149 HB3 GLU 19 HB3 GLU 19 -16.847 -4.322 8.885 150 HG2 GLU 19 HG2 GLU 19 -18.965 -5.554 9.246 151 HG3 GLU 19 HG3 GLU 19 -19.355 -4.476 10.589 152 H ALA 20 H ALA 20 -15.200 -6.299 9.024 153 HA ALA 20 HA ALA 20 -15.661 -9.072 9.750 154 HB1 ALA 20 HB1 ALA 20 -17.627 -8.638 8.317 155 HB2 ALA 20 HB2 ALA 20 -16.525 -9.779 7.545 156 HB3 ALA 20 HB3 ALA 20 -16.571 -8.096 7.012 157 H ASP 21 H ASP 21 -13.542 -9.615 9.885 158 HA ASP 21 HA ASP 21 -11.460 -8.588 8.190 159 HB2 ASP 21 HB2 ASP 21 -9.986 -10.118 9.501 160 HB3 ASP 21 HB3 ASP 21 -11.004 -9.116 10.528 161 H GLY 22 H GLY 22 -9.760 -10.454 7.435 162 HA2 GLY 22 HA2 GLY 22 -9.268 -12.000 5.793 163 HA3 GLY 22 HA3 GLY 22 -10.863 -12.702 6.039 164 H ILE 23 H ILE 23 -9.463 -9.676 4.774 165 HA ILE 23 HA ILE 23 -11.382 -9.704 2.521 166 HB ILE 23 HB ILE 23 -12.288 -8.277 4.318 167 HG12 ILE 23 HG12 ILE 23 -12.593 -6.158 2.998 168 HG13 ILE 23 HG13 ILE 23 -11.307 -6.679 1.916 169 HG21 ILE 23 HG21 ILE 23 -10.223 -7.635 5.478 170 HG22 ILE 23 HG22 ILE 23 -11.184 -6.209 5.084 171 HG23 ILE 23 HG23 ILE 23 -9.759 -6.605 4.120 172 HD11 ILE 23 HD11 ILE 23 -12.651 -8.580 1.216 173 HD12 ILE 23 HD12 ILE 23 -13.511 -7.060 0.978 174 HD13 ILE 23 HD13 ILE 23 -13.931 -8.102 2.336 175 H SER 24 H SER 24 -10.402 -9.397 0.586 176 HA SER 24 HA SER 24 -7.571 -8.776 0.404 177 HB2 SER 24 HB2 SER 24 -9.606 -9.365 -1.789 178 HB3 SER 24 HB3 SER 24 -7.861 -9.239 -2.030 179 HG SER 24 HG SER 24 -7.669 -11.015 -0.517 180 H ILE 25 H ILE 25 -6.677 -7.095 -0.984 181 HA ILE 25 HA ILE 25 -7.461 -4.563 -0.211 182 HB ILE 25 HB ILE 25 -5.729 -5.268 -2.615 183 HG12 ILE 25 HG12 ILE 25 -4.936 -4.620 0.263 184 HG13 ILE 25 HG13 ILE 25 -4.864 -6.204 -0.494 185 HG21 ILE 25 HG21 ILE 25 -5.938 -2.602 -1.170 186 HG22 ILE 25 HG22 ILE 25 -6.488 -2.949 -2.812 187 HG23 ILE 25 HG23 ILE 25 -4.769 -3.000 -2.433 188 HD11 ILE 25 HD11 ILE 25 -3.186 -3.799 -1.232 189 HD12 ILE 25 HD12 ILE 25 -3.130 -5.370 -2.036 190 HD13 ILE 25 HD13 ILE 25 -2.658 -5.231 -0.345 191 HA PRO 26 HA PRO 26 -9.412 -3.449 -4.495 192 HB2 PRO 26 HB2 PRO 26 -10.134 -5.352 -6.323 193 HB3 PRO 26 HB3 PRO 26 -8.504 -4.668 -6.257 194 HG2 PRO 26 HG2 PRO 26 -9.519 -7.261 -5.104 195 HG3 PRO 26 HG3 PRO 26 -8.033 -6.959 -6.027 196 HD2 PRO 26 HD2 PRO 26 -8.040 -7.143 -3.301 197 HD3 PRO 26 HD3 PRO 26 -6.905 -6.088 -4.174 198 H GLU 27 H GLU 27 -10.635 -6.272 -2.806 199 HA GLU 27 HA GLU 27 -13.431 -5.857 -3.471 200 HB2 GLU 27 HB2 GLU 27 -12.446 -8.097 -2.859 201 HB3 GLU 27 HB3 GLU 27 -12.178 -7.493 -1.220 202 HG2 GLU 27 HG2 GLU 27 -14.198 -8.925 -1.415 203 HG3 GLU 27 HG3 GLU 27 -14.555 -7.300 -0.833 204 H LEU 28 H LEU 28 -11.325 -5.393 -0.714 205 HA LEU 28 HA LEU 28 -12.901 -4.004 1.111 206 HB2 LEU 28 HB2 LEU 28 -10.669 -4.988 1.508 207 HB3 LEU 28 HB3 LEU 28 -9.944 -3.799 0.447 208 HG LEU 28 HG LEU 28 -10.466 -2.020 2.053 209 HD11 LEU 28 HD11 LEU 28 -11.297 -2.521 4.316 210 HD12 LEU 28 HD12 LEU 28 -11.577 -4.201 3.848 211 HD13 LEU 28 HD13 LEU 28 -12.500 -2.904 3.084 212 HD21 LEU 28 HD21 LEU 28 -8.813 -2.697 3.761 213 HD22 LEU 28 HD22 LEU 28 -8.316 -3.158 2.130 214 HD23 LEU 28 HD23 LEU 28 -8.967 -4.380 3.229 215 H ALA 29 H ALA 29 -11.044 -2.848 -1.679 216 HA ALA 29 HA ALA 29 -11.352 -0.070 -1.442 217 HB1 ALA 29 HB1 ALA 29 -10.845 0.028 -3.845 218 HB2 ALA 29 HB2 ALA 29 -11.163 -1.703 -3.999 219 HB3 ALA 29 HB3 ALA 29 -9.800 -1.139 -3.033 220 H ARG 30 H ARG 30 -13.514 -2.490 -2.902 221 HA ARG 30 HA ARG 30 -15.447 -0.623 -3.931 222 HB2 ARG 30 HB2 ARG 30 -15.740 -3.613 -3.391 223 HB3 ARG 30 HB3 ARG 30 -16.837 -2.630 -4.365 224 HG2 ARG 30 HG2 ARG 30 -14.978 -2.174 -5.957 225 HG3 ARG 30 HG3 ARG 30 -13.923 -3.213 -4.996 226 HD2 ARG 30 HD2 ARG 30 -15.452 -5.130 -5.458 227 HD3 ARG 30 HD3 ARG 30 -16.439 -4.071 -6.476 228 HE ARG 30 HE ARG 30 -13.655 -4.906 -7.033 229 HH11 ARG 30 HH11 ARG 30 -16.637 -3.595 -8.236 230 HH12 ARG 30 HH12 ARG 30 -16.165 -3.786 -9.887 231 HH21 ARG 30 HH21 ARG 30 -13.090 -5.129 -9.146 232 HH22 ARG 30 HH22 ARG 30 -14.192 -4.662 -10.393 233 H LYS 31 H LYS 31 -15.129 -2.477 -0.918 234 HA LYS 31 HA LYS 31 -17.640 -1.916 0.264 235 HB2 LYS 31 HB2 LYS 31 -14.940 -2.359 1.617 236 HB3 LYS 31 HB3 LYS 31 -16.495 -2.398 2.446 237 HG2 LYS 31 HG2 LYS 31 -17.162 -4.365 1.112 238 HG3 LYS 31 HG3 LYS 31 -15.618 -4.311 0.258 239 HD2 LYS 31 HD2 LYS 31 -15.580 -6.025 2.020 240 HD3 LYS 31 HD3 LYS 31 -14.418 -4.745 2.375 241 HE2 LYS 31 HE2 LYS 31 -16.022 -3.757 3.988 242 HE3 LYS 31 HE3 LYS 31 -17.181 -5.038 3.624 243 HZ1 LYS 31 HZ1 LYS 31 -15.623 -6.648 4.491 244 HZ2 LYS 31 HZ2 LYS 31 -15.948 -5.470 5.655 245 HZ3 LYS 31 HZ3 LYS 31 -14.486 -5.438 4.806 246 H VAL 32 H VAL 32 -14.563 -0.147 0.339 247 HA VAL 32 HA VAL 32 -15.673 2.023 1.989 248 HB VAL 32 HB VAL 32 -13.387 2.830 2.220 249 HG11 VAL 32 HG11 VAL 32 -14.098 1.024 3.722 250 HG12 VAL 32 HG12 VAL 32 -12.380 0.872 3.360 251 HG13 VAL 32 HG13 VAL 32 -13.542 -0.193 2.568 252 HG21 VAL 32 HG21 VAL 32 -12.538 2.392 -0.052 253 HG22 VAL 32 HG22 VAL 32 -12.566 0.655 0.247 254 HG23 VAL 32 HG23 VAL 32 -11.454 1.688 1.150 255 H ASN 33 H ASN 33 -15.489 1.327 -1.253 256 HA ASN 33 HA ASN 33 -16.063 2.404 -3.142 257 HB2 ASN 33 HB2 ASN 33 -16.699 4.788 -1.351 258 HB3 ASN 33 HB3 ASN 33 -17.188 4.619 -3.035 259 HD21 ASN 33 HD21 ASN 33 -17.751 3.529 0.228 260 HD22 ASN 33 HD22 ASN 33 -19.211 2.669 -0.093 261 H LEU 34 H LEU 34 -13.263 2.787 -1.822 262 HA LEU 34 HA LEU 34 -12.266 5.124 -3.324 263 HB2 LEU 34 HB2 LEU 34 -10.781 3.288 -1.389 264 HB3 LEU 34 HB3 LEU 34 -10.146 4.764 -2.099 265 HG LEU 34 HG LEU 34 -12.480 4.635 -0.139 266 HD11 LEU 34 HD11 LEU 34 -10.952 5.610 1.513 267 HD12 LEU 34 HD12 LEU 34 -9.617 5.513 0.361 268 HD13 LEU 34 HD13 LEU 34 -10.381 4.037 0.959 269 HD21 LEU 34 HD21 LEU 34 -12.688 6.543 -1.659 270 HD22 LEU 34 HD22 LEU 34 -11.045 7.062 -1.276 271 HD23 LEU 34 HD23 LEU 34 -12.296 7.089 -0.029 272 H SER 35 H SER 35 -10.155 4.826 -4.527 273 HA SER 35 HA SER 35 -10.087 2.682 -6.378 274 HB2 SER 35 HB2 SER 35 -9.049 4.812 -6.952 275 HB3 SER 35 HB3 SER 35 -7.932 4.696 -5.593 276 HG SER 35 HG SER 35 -7.752 3.621 -8.092 277 H VAL 36 H VAL 36 -8.661 0.916 -6.576 278 HA VAL 36 HA VAL 36 -7.984 -0.623 -4.349 279 HB VAL 36 HB VAL 36 -6.647 -0.742 -7.093 280 HG11 VAL 36 HG11 VAL 36 -6.901 -2.897 -4.952 281 HG12 VAL 36 HG12 VAL 36 -5.414 -2.071 -5.432 282 HG13 VAL 36 HG13 VAL 36 -6.236 -3.139 -6.570 283 HG21 VAL 36 HG21 VAL 36 -8.373 -2.413 -7.689 284 HG22 VAL 36 HG22 VAL 36 -9.094 -0.846 -7.317 285 HG23 VAL 36 HG23 VAL 36 -9.165 -2.152 -6.130 286 H GLU 37 H GLU 37 -5.923 1.512 -6.301 287 HA GLU 37 HA GLU 37 -3.469 1.200 -4.969 288 HB2 GLU 37 HB2 GLU 37 -4.509 3.709 -6.350 289 HB3 GLU 37 HB3 GLU 37 -2.820 3.353 -5.987 290 HG2 GLU 37 HG2 GLU 37 -2.943 1.388 -7.501 291 HG3 GLU 37 HG3 GLU 37 -4.603 1.825 -7.903 292 H SER 38 H SER 38 -6.077 3.570 -4.363 293 HA SER 38 HA SER 38 -4.841 4.961 -2.213 294 HB2 SER 38 HB2 SER 38 -7.771 4.736 -2.987 295 HB3 SER 38 HB3 SER 38 -7.173 5.819 -1.727 296 HG SER 38 HG SER 38 -6.560 5.874 -4.500 297 H THR 39 H THR 39 -6.736 2.024 -2.332 298 HA THR 39 HA THR 39 -7.248 1.852 0.515 299 HB THR 39 HB THR 39 -7.639 -0.228 -1.686 300 HG1 THR 39 HG1 THR 39 -9.234 1.104 -2.125 301 HG21 THR 39 HG21 THR 39 -8.732 -0.206 1.158 302 HG22 THR 39 HG22 THR 39 -7.529 -1.335 0.525 303 HG23 THR 39 HG23 THR 39 -9.178 -1.354 -0.104 304 H ALA 40 H ALA 40 -4.950 0.319 -1.765 305 HA ALA 40 HA ALA 40 -3.690 -1.498 0.032 306 HB1 ALA 40 HB1 ALA 40 -2.541 -0.152 -2.445 307 HB2 ALA 40 HB2 ALA 40 -3.456 -1.659 -2.424 308 HB3 ALA 40 HB3 ALA 40 -1.873 -1.582 -1.648 309 H LEU 41 H LEU 41 -3.040 1.820 -0.872 310 HA LEU 41 HA LEU 41 -0.736 2.299 0.731 311 HB2 LEU 41 HB2 LEU 41 -1.117 3.593 -1.241 312 HB3 LEU 41 HB3 LEU 41 -2.733 4.025 -0.760 313 HG LEU 41 HG LEU 41 -0.905 5.857 -0.792 314 HD11 LEU 41 HD11 LEU 41 -3.138 6.189 0.108 315 HD12 LEU 41 HD12 LEU 41 -1.922 7.078 1.017 316 HD13 LEU 41 HD13 LEU 41 -2.606 5.595 1.685 317 HD21 LEU 41 HD21 LEU 41 -0.166 4.657 1.893 318 HD22 LEU 41 HD22 LEU 41 0.434 6.171 1.209 319 HD23 LEU 41 HD23 LEU 41 0.843 4.637 0.442 320 H ALA 42 H ALA 42 -4.245 2.752 1.304 321 HA ALA 42 HA ALA 42 -4.050 4.010 3.862 322 HB1 ALA 42 HB1 ALA 42 -6.106 4.097 2.506 323 HB2 ALA 42 HB2 ALA 42 -6.440 3.457 4.116 324 HB3 ALA 42 HB3 ALA 42 -6.344 2.362 2.732 325 H VAL 43 H VAL 43 -4.383 0.574 2.921 326 HA VAL 43 HA VAL 43 -4.300 -0.583 5.506 327 HB VAL 43 HB VAL 43 -3.536 -1.720 2.780 328 HG11 VAL 43 HG11 VAL 43 -3.615 -3.985 3.786 329 HG12 VAL 43 HG12 VAL 43 -3.810 -3.270 5.386 330 HG13 VAL 43 HG13 VAL 43 -2.316 -3.014 4.483 331 HG21 VAL 43 HG21 VAL 43 -6.035 -2.132 4.473 332 HG22 VAL 43 HG22 VAL 43 -5.712 -2.898 2.915 333 HG23 VAL 43 HG23 VAL 43 -5.923 -1.148 3.008 334 H GLY 44 H GLY 44 -1.725 0.291 3.208 335 HA2 GLY 44 HA2 GLY 44 0.519 -0.659 4.653 336 HA3 GLY 44 HA3 GLY 44 0.532 0.638 3.467 337 H TRP 45 H TRP 45 -1.313 2.361 4.854 338 HA TRP 45 HA TRP 45 0.362 3.722 6.720 339 HB2 TRP 45 HB2 TRP 45 -1.326 4.878 5.276 340 HB3 TRP 45 HB3 TRP 45 -2.621 4.104 6.184 341 HD1 TRP 45 HD1 TRP 45 -3.426 5.359 8.368 342 HE1 TRP 45 HE1 TRP 45 -2.655 7.465 9.616 343 HE3 TRP 45 HE3 TRP 45 0.962 6.243 5.867 344 HZ2 TRP 45 HZ2 TRP 45 -0.487 9.275 9.560 345 HZ3 TRP 45 HZ3 TRP 45 2.327 8.192 6.526 346 HH2 TRP 45 HH2 TRP 45 1.613 9.676 8.340 347 H LEU 46 H LEU 46 -2.505 1.609 7.064 348 HA LEU 46 HA LEU 46 -2.692 1.694 9.907 349 HB2 LEU 46 HB2 LEU 46 -3.620 -0.389 7.904 350 HB3 LEU 46 HB3 LEU 46 -3.996 -0.474 9.619 351 HG LEU 46 HG LEU 46 -4.875 1.767 7.757 352 HD11 LEU 46 HD11 LEU 46 -5.986 -0.323 7.189 353 HD12 LEU 46 HD12 LEU 46 -7.121 0.796 7.943 354 HD13 LEU 46 HD13 LEU 46 -6.470 -0.558 8.874 355 HD21 LEU 46 HD21 LEU 46 -6.300 2.504 9.620 356 HD22 LEU 46 HD22 LEU 46 -4.600 2.539 10.079 357 HD23 LEU 46 HD23 LEU 46 -5.639 1.230 10.652 358 H ALA 47 H ALA 47 -0.825 -0.407 7.713 359 HA ALA 47 HA ALA 47 0.293 -2.186 9.574 360 HB1 ALA 47 HB1 ALA 47 2.093 -2.528 7.913 361 HB2 ALA 47 HB2 ALA 47 1.575 -1.078 7.046 362 HB3 ALA 47 HB3 ALA 47 0.508 -2.481 7.134 363 H ARG 48 H ARG 48 1.418 1.082 8.577 364 HA ARG 48 HA ARG 48 3.576 1.394 10.357 365 HB2 ARG 48 HB2 ARG 48 3.342 3.091 8.737 366 HB3 ARG 48 HB3 ARG 48 1.620 3.285 9.038 367 HG2 ARG 48 HG2 ARG 48 2.201 4.311 11.266 368 HG3 ARG 48 HG3 ARG 48 3.898 4.258 10.781 369 HD2 ARG 48 HD2 ARG 48 3.487 5.797 8.964 370 HD3 ARG 48 HD3 ARG 48 1.736 5.706 9.216 371 HE ARG 48 HE ARG 48 2.232 6.678 11.496 372 HH11 ARG 48 HH11 ARG 48 4.211 7.467 8.754 373 HH12 ARG 48 HH12 ARG 48 4.711 8.972 9.432 374 HH21 ARG 48 HH21 ARG 48 2.901 8.577 12.329 375 HH22 ARG 48 HH22 ARG 48 3.991 9.585 11.447 376 H GLU 49 H GLU 49 0.106 2.117 10.835 377 HA GLU 49 HA GLU 49 0.387 3.090 13.535 378 HB2 GLU 49 HB2 GLU 49 -2.150 2.345 12.011 379 HB3 GLU 49 HB3 GLU 49 -2.070 3.319 13.476 380 HG2 GLU 49 HG2 GLU 49 -0.850 4.122 10.811 381 HG3 GLU 49 HG3 GLU 49 -2.441 4.622 11.365 382 H ASN 50 H ASN 50 0.482 -0.029 12.389 383 HA ASN 50 HA ASN 50 0.393 -2.104 13.259 384 HB2 ASN 50 HB2 ASN 50 0.376 -0.650 15.932 385 HB3 ASN 50 HB3 ASN 50 0.687 -2.374 15.725 386 HD21 ASN 50 HD21 ASN 50 2.421 -0.376 16.865 387 HD22 ASN 50 HD22 ASN 50 3.862 -0.378 15.918 388 H LYS 51 H LYS 51 -2.059 -0.882 12.510 389 HA LYS 51 HA LYS 51 -4.134 -1.953 14.262 390 HB2 LYS 51 HB2 LYS 51 -4.287 -0.439 11.629 391 HB3 LYS 51 HB3 LYS 51 -5.679 -0.895 12.598 392 HG2 LYS 51 HG2 LYS 51 -3.527 0.858 13.788 393 HG3 LYS 51 HG3 LYS 51 -4.724 1.546 12.699 394 HD2 LYS 51 HD2 LYS 51 -5.572 1.944 14.873 395 HD3 LYS 51 HD3 LYS 51 -6.521 0.590 14.266 396 HE2 LYS 51 HE2 LYS 51 -5.286 -0.965 15.654 397 HE3 LYS 51 HE3 LYS 51 -4.128 0.286 16.114 398 HZ1 LYS 51 HZ1 LYS 51 -5.735 -0.077 17.859 399 HZ2 LYS 51 HZ2 LYS 51 -7.015 0.254 16.809 400 HZ3 LYS 51 HZ3 LYS 51 -5.921 1.477 17.219 401 H VAL 52 H VAL 52 -2.369 -2.955 11.404 402 HA VAL 52 HA VAL 52 -4.265 -5.172 10.945 403 HB VAL 52 HB VAL 52 -4.196 -4.968 8.500 404 HG11 VAL 52 HG11 VAL 52 -5.666 -3.011 8.202 405 HG12 VAL 52 HG12 VAL 52 -5.191 -2.404 9.790 406 HG13 VAL 52 HG13 VAL 52 -6.083 -3.921 9.658 407 HG21 VAL 52 HG21 VAL 52 -2.636 -2.390 8.915 408 HG22 VAL 52 HG22 VAL 52 -3.280 -2.955 7.371 409 HG23 VAL 52 HG23 VAL 52 -2.026 -3.883 8.194 410 H VAL 53 H VAL 53 -3.483 -6.966 9.797 411 HA VAL 53 HA VAL 53 -0.581 -7.261 9.369 412 HB VAL 53 HB VAL 53 -0.908 -9.732 10.185 413 HG11 VAL 53 HG11 VAL 53 -0.888 -7.463 12.215 414 HG12 VAL 53 HG12 VAL 53 0.518 -8.115 11.370 415 HG13 VAL 53 HG13 VAL 53 -0.359 -9.120 12.523 416 HG21 VAL 53 HG21 VAL 53 -3.369 -9.684 10.360 417 HG22 VAL 53 HG22 VAL 53 -3.268 -8.453 11.621 418 HG23 VAL 53 HG23 VAL 53 -2.636 -10.074 11.919 419 H ILE 54 H ILE 54 -0.003 -8.713 7.688 420 HA ILE 54 HA ILE 54 -2.147 -9.088 5.678 421 HB ILE 54 HB ILE 54 0.773 -8.306 5.367 422 HG12 ILE 54 HG12 ILE 54 -0.315 -6.473 3.882 423 HG13 ILE 54 HG13 ILE 54 -1.853 -6.995 4.544 424 HG21 ILE 54 HG21 ILE 54 0.461 -10.062 3.706 425 HG22 ILE 54 HG22 ILE 54 0.560 -8.498 2.896 426 HG23 ILE 54 HG23 ILE 54 -1.006 -9.282 3.107 427 HD11 ILE 54 HD11 ILE 54 -1.022 -5.006 5.649 428 HD12 ILE 54 HD12 ILE 54 0.460 -5.845 6.107 429 HD13 ILE 54 HD13 ILE 54 -1.088 -6.355 6.783 430 H GLU 55 H GLU 55 -2.576 -11.102 4.988 431 HA GLU 55 HA GLU 55 -0.632 -13.322 5.342 432 HB2 GLU 55 HB2 GLU 55 -3.675 -13.450 5.166 433 HB3 GLU 55 HB3 GLU 55 -2.603 -14.830 5.375 434 HG2 GLU 55 HG2 GLU 55 -3.032 -12.579 7.361 435 HG3 GLU 55 HG3 GLU 55 -3.706 -14.201 7.470 436 H ARG 56 H ARG 56 0.273 -13.957 3.407 437 HA ARG 56 HA ARG 56 -1.241 -13.507 0.903 438 HB2 ARG 56 HB2 ARG 56 1.715 -14.067 1.325 439 HB3 ARG 56 HB3 ARG 56 0.948 -13.991 -0.261 440 HG2 ARG 56 HG2 ARG 56 0.302 -11.657 0.141 441 HG3 ARG 56 HG3 ARG 56 1.048 -11.713 1.744 442 HD2 ARG 56 HD2 ARG 56 3.243 -12.177 0.658 443 HD3 ARG 56 HD3 ARG 56 2.466 -12.028 -0.924 444 HE ARG 56 HE ARG 56 2.017 -9.708 0.670 445 HH11 ARG 56 HH11 ARG 56 4.416 -11.231 -1.296 446 HH12 ARG 56 HH12 ARG 56 5.236 -9.752 -1.621 447 HH21 ARG 56 HH21 ARG 56 3.109 -7.811 0.230 448 HH22 ARG 56 HH22 ARG 56 4.510 -7.846 -0.778 449 H LYS 57 H LYS 57 -2.134 -15.090 -0.154 450 HA LYS 57 HA LYS 57 -1.216 -17.852 -0.031 451 HB2 LYS 57 HB2 LYS 57 -3.529 -18.672 0.621 452 HB3 LYS 57 HB3 LYS 57 -2.646 -17.860 1.910 453 HG2 LYS 57 HG2 LYS 57 -3.953 -15.759 1.349 454 HG3 LYS 57 HG3 LYS 57 -4.941 -16.743 0.266 455 HD2 LYS 57 HD2 LYS 57 -4.629 -17.223 3.257 456 HD3 LYS 57 HD3 LYS 57 -5.955 -16.336 2.519 457 HE2 LYS 57 HE2 LYS 57 -6.852 -18.478 2.893 458 HE3 LYS 57 HE3 LYS 57 -6.430 -18.508 1.185 459 HZ1 LYS 57 HZ1 LYS 57 -5.782 -20.534 2.332 460 HZ2 LYS 57 HZ2 LYS 57 -4.801 -19.654 3.389 461 HZ3 LYS 57 HZ3 LYS 57 -4.420 -19.725 1.743 462 H ASN 58 H ASN 58 -1.556 -18.863 -1.921 463 HA ASN 58 HA ASN 58 -1.905 -19.188 -4.141 464 HB2 ASN 58 HB2 ASN 58 -4.555 -17.737 -3.699 465 HB3 ASN 58 HB3 ASN 58 -4.158 -18.754 -5.083 466 HD21 ASN 58 HD21 ASN 58 -6.343 -19.022 -3.193 467 HD22 ASN 58 HD22 ASN 58 -6.180 -20.590 -2.486 468 H GLY 59 H GLY 59 -0.524 -16.701 -3.250 469 HA2 GLY 59 HA2 GLY 59 0.601 -15.035 -4.409 470 HA3 GLY 59 HA3 GLY 59 -0.462 -15.271 -5.785 471 H LEU 60 H LEU 60 -2.580 -14.971 -3.326 472 HA LEU 60 HA LEU 60 -3.109 -12.132 -3.902 473 HB2 LEU 60 HB2 LEU 60 -4.895 -14.239 -2.623 474 HB3 LEU 60 HB3 LEU 60 -5.393 -12.625 -3.114 475 HG LEU 60 HG LEU 60 -4.513 -14.868 -4.977 476 HD11 LEU 60 HD11 LEU 60 -7.274 -13.703 -4.516 477 HD12 LEU 60 HD12 LEU 60 -6.699 -15.289 -3.992 478 HD13 LEU 60 HD13 LEU 60 -6.844 -14.934 -5.710 479 HD21 LEU 60 HD21 LEU 60 -5.480 -12.071 -5.679 480 HD22 LEU 60 HD22 LEU 60 -5.189 -13.381 -6.829 481 HD23 LEU 60 HD23 LEU 60 -3.849 -12.711 -5.905 482 H ILE 61 H ILE 61 -3.957 -10.776 -2.142 483 HA ILE 61 HA ILE 61 -2.627 -11.263 0.471 484 HB ILE 61 HB ILE 61 -3.217 -8.643 -0.983 485 HG12 ILE 61 HG12 ILE 61 -0.567 -9.942 -0.211 486 HG13 ILE 61 HG13 ILE 61 -1.247 -9.903 -1.832 487 HG21 ILE 61 HG21 ILE 61 -2.034 -8.987 1.794 488 HG22 ILE 61 HG22 ILE 61 -3.605 -8.282 1.410 489 HG23 ILE 61 HG23 ILE 61 -2.125 -7.463 0.908 490 HD11 ILE 61 HD11 ILE 61 -1.004 -7.467 -1.864 491 HD12 ILE 61 HD12 ILE 61 0.529 -8.290 -1.582 492 HD13 ILE 61 HD13 ILE 61 -0.312 -7.517 -0.240 493 H GLU 62 H GLU 62 -3.950 -11.513 2.189 494 HA GLU 62 HA GLU 62 -6.627 -10.238 2.239 495 HB2 GLU 62 HB2 GLU 62 -5.637 -12.696 3.753 496 HB3 GLU 62 HB3 GLU 62 -7.130 -11.853 4.149 497 HG2 GLU 62 HG2 GLU 62 -7.842 -12.331 1.717 498 HG3 GLU 62 HG3 GLU 62 -6.489 -13.462 1.669 499 H ILE 63 H ILE 63 -7.133 -8.931 3.937 500 HA ILE 63 HA ILE 63 -4.945 -8.041 5.702 501 HB ILE 63 HB ILE 63 -7.462 -6.551 4.795 502 HG12 ILE 63 HG12 ILE 63 -5.756 -4.905 3.810 503 HG13 ILE 63 HG13 ILE 63 -4.513 -6.098 4.137 504 HG21 ILE 63 HG21 ILE 63 -5.287 -5.547 6.667 505 HG22 ILE 63 HG22 ILE 63 -6.941 -5.951 7.127 506 HG23 ILE 63 HG23 ILE 63 -6.635 -4.591 6.048 507 HD11 ILE 63 HD11 ILE 63 -6.837 -6.404 2.248 508 HD12 ILE 63 HD12 ILE 63 -5.600 -7.623 2.564 509 HD13 ILE 63 HD13 ILE 63 -5.156 -6.089 1.820 510 H TYR 64 H TYR 64 -5.137 -8.241 7.821 511 HA TYR 64 HA TYR 64 -7.700 -8.947 9.137 512 HB2 TYR 64 HB2 TYR 64 -4.958 -10.229 9.541 513 HB3 TYR 64 HB3 TYR 64 -6.274 -10.430 10.686 514 HD1 TYR 64 HD2 TYR 64 -8.289 -11.764 10.060 515 HD2 TYR 64 HD1 TYR 64 -4.978 -11.393 7.385 516 HE1 TYR 64 HE2 TYR 64 -9.157 -13.631 8.722 517 HE2 TYR 64 HE1 TYR 64 -5.849 -13.254 6.046 518 HH TYR 64 HH TYR 64 -8.947 -14.365 6.236 519 H ASN 65 H ASN 65 -7.549 -8.552 11.565 520 HA ASN 65 HA ASN 65 -6.332 -5.955 12.126 521 HB2 ASN 65 HB2 ASN 65 -8.697 -6.647 12.811 522 HB3 ASN 65 HB3 ASN 65 -7.970 -7.706 14.009 523 HD21 ASN 65 HD21 ASN 65 -9.772 -5.471 14.428 524 HD22 ASN 65 HD22 ASN 65 -8.948 -4.368 15.468 525 H GLU 66 H GLU 66 -4.598 -5.578 13.497 526 HA GLU 66 HA GLU 66 -2.859 -7.791 14.180 527 HB2 GLU 66 HB2 GLU 66 -2.090 -5.567 13.236 528 HB3 GLU 66 HB3 GLU 66 -2.440 -4.844 14.800 529 HG2 GLU 66 HG2 GLU 66 -0.716 -6.174 15.870 530 HG3 GLU 66 HG3 GLU 66 -0.471 -7.126 14.407 531 H GLY 67 H GLY 67 -5.514 -6.807 15.734 532 HA2 GLY 67 HA2 GLY 67 -4.938 -6.689 18.469 533 HA3 GLY 67 HA3 GLY 67 -6.398 -7.373 17.770 534 H HIS 68 H HIS 68 -4.439 -9.342 16.333 535 HA HIS 68 HA HIS 68 -4.415 -11.554 18.062 536 HB2 HIS 68 HB2 HIS 68 -4.169 -11.777 15.623 537 HB3 HIS 68 HB3 HIS 68 -2.632 -10.918 15.670 538 HD1 HIS 68 HD1 HIS 68 -4.181 -14.188 16.822 539 HD2 HIS 68 HD2 HIS 68 -0.433 -12.555 16.058 540 HE1 HIS 68 HE1 HIS 68 -2.560 -16.088 17.054 541 HE2 HIS 68 HE2 HIS 68 -0.308 -15.094 16.552 542 H PHE 69 H PHE 69 -1.817 -9.201 17.325 543 HA PHE 69 HA PHE 69 0.052 -10.416 19.226 544 HB2 PHE 69 HB2 PHE 69 0.368 -7.967 17.429 545 HB3 PHE 69 HB3 PHE 69 1.650 -8.683 18.396 546 HD1 PHE 69 HD2 PHE 69 2.640 -10.850 17.769 547 HD2 PHE 69 HD1 PHE 69 -0.356 -9.009 15.333 548 HE1 PHE 69 HE2 PHE 69 3.233 -12.335 15.907 549 HE2 PHE 69 HE1 PHE 69 0.247 -10.504 13.478 550 HZ PHE 69 HZ PHE 69 2.040 -12.166 13.761 551 H ASP 70 H ASP 70 -0.624 -6.951 18.726 552 HA ASP 70 HA ASP 70 -1.241 -6.541 21.573 553 HB2 ASP 70 HB2 ASP 70 1.188 -6.236 21.450 554 HB3 ASP 70 HB3 ASP 70 1.029 -5.164 20.067 555 H PHE 71 H PHE 71 -3.017 -5.321 21.663 556 HA PHE 71 HA PHE 71 -3.626 -3.429 19.466 557 HB2 PHE 71 HB2 PHE 71 -5.151 -5.452 19.579 558 HB3 PHE 71 HB3 PHE 71 -5.691 -4.907 21.162 559 HD1 PHE 71 HD2 PHE 71 -5.527 -3.949 17.564 560 HD2 PHE 71 HD1 PHE 71 -7.402 -3.230 21.339 561 HE1 PHE 71 HE2 PHE 71 -7.167 -2.485 16.478 562 HE2 PHE 71 HE1 PHE 71 -9.041 -1.766 20.242 563 HZ PHE 71 HZ PHE 71 -8.924 -1.393 17.812 564 H SER 72 H SER 72 -3.819 -1.394 20.005 565 HA SER 72 HA SER 72 -4.880 -0.563 22.627 566 HB2 SER 72 HB2 SER 72 -3.237 1.353 22.643 567 HB3 SER 72 HB3 SER 72 -2.458 -0.219 22.800 568 HG SER 72 HG SER 72 -1.514 0.048 20.928 569 H PHE 73 H PHE 73 -5.708 1.714 22.542 570 HA PHE 73 HA PHE 73 -7.154 3.257 21.778 571 HB2 PHE 73 HB2 PHE 73 -5.349 3.931 20.236 572 HB3 PHE 73 HB3 PHE 73 -5.913 2.764 19.046 573 HD1 PHE 73 HD2 PHE 73 -6.768 5.933 20.793 574 HD2 PHE 73 HD1 PHE 73 -7.758 3.309 17.561 575 HE1 PHE 73 HE2 PHE 73 -8.256 7.643 19.849 576 HE2 PHE 73 HE1 PHE 73 -9.247 5.029 16.627 577 HZ PHE 73 HZ PHE 73 -9.495 7.197 17.770 578 H GLY 74 H GLY 74 -9.253 2.767 21.878 579 HA2 GLY 74 HA2 GLY 74 -10.485 0.871 19.971 580 HA3 GLY 74 HA3 GLY 74 -10.716 0.693 21.703 581 H LEU 75 H LEU 75 -12.150 1.801 19.022 582 HA LEU 75 HA LEU 75 -13.414 4.225 19.835 583 HB2 LEU 75 HB2 LEU 75 -14.208 2.184 17.711 584 HB3 LEU 75 HB3 LEU 75 -15.042 3.707 17.962 585 HG LEU 75 HG LEU 75 -12.818 4.874 17.429 586 HD11 LEU 75 HD11 LEU 75 -12.014 2.152 16.357 587 HD12 LEU 75 HD12 LEU 75 -11.281 2.988 17.729 588 HD13 LEU 75 HD13 LEU 75 -11.146 3.672 16.111 589 HD21 LEU 75 HD21 LEU 75 -14.134 3.280 15.206 590 HD22 LEU 75 HD22 LEU 75 -13.151 4.734 15.002 591 HD23 LEU 75 HD23 LEU 75 -14.693 4.829 15.849 592 H GLU 76 H GLU 76 -14.929 4.428 21.387 593 HA GLU 76 HA GLU 76 -16.766 2.198 21.996 594 HB2 GLU 76 HB2 GLU 76 -16.385 2.663 24.462 595 HB3 GLU 76 HB3 GLU 76 -15.049 1.915 23.608 596 HG2 GLU 76 HG2 GLU 76 -14.052 3.489 25.042 597 HG3 GLU 76 HG3 GLU 76 -13.992 4.221 23.445 598 H HIS 77 H HIS 77 -18.138 3.262 24.100 599 HA HIS 77 HA HIS 77 -20.055 4.819 22.586 600 HB2 HIS 77 HB2 HIS 77 -20.364 3.929 25.483 601 HB3 HIS 77 HB3 HIS 77 -21.631 4.205 24.288 602 HD1 HIS 77 HD1 HIS 77 -19.747 1.565 25.842 603 HD2 HIS 77 HD2 HIS 77 -21.486 2.136 22.106 604 HE1 HIS 77 HE1 HIS 77 -19.913 -0.721 24.824 605 HE2 HIS 77 HE2 HIS 77 -21.116 -0.371 22.645 606 H HIS 78 H HIS 78 -20.073 7.003 22.596 607 HA HIS 78 HA HIS 78 -18.642 8.531 24.663 608 HB2 HIS 78 HB2 HIS 78 -19.908 9.529 22.071 609 HB3 HIS 78 HB3 HIS 78 -18.776 10.408 23.098 610 HD1 HIS 78 HD1 HIS 78 -16.321 9.231 23.273 611 HD2 HIS 78 HD2 HIS 78 -18.716 8.117 20.067 612 HE1 HIS 78 HE1 HIS 78 -14.764 8.201 21.605 613 HE2 HIS 78 HE2 HIS 78 -16.268 7.333 19.781 614 H HIS 79 H HIS 79 -21.780 7.517 24.193 615 HA HIS 79 HA HIS 79 -23.795 7.912 25.086 616 HB2 HIS 79 HB2 HIS 79 -22.397 9.958 26.846 617 HB3 HIS 79 HB3 HIS 79 -24.070 9.450 27.053 618 HD1 HIS 79 HD1 HIS 79 -24.490 7.230 28.229 619 HD2 HIS 79 HD2 HIS 79 -20.452 7.964 27.555 620 HE1 HIS 79 HE1 HIS 79 -23.261 5.485 29.545 621 HE2 HIS 79 HE2 HIS 79 -20.830 5.874 29.035 622 H HIS 80 H HIS 80 -22.442 11.247 24.994 623 HA HIS 80 HA HIS 80 -24.751 12.277 23.559 624 HB2 HIS 80 HB2 HIS 80 -23.526 13.601 25.309 625 HB3 HIS 80 HB3 HIS 80 -22.110 13.639 24.271 626 HD1 HIS 80 HD1 HIS 80 -22.405 15.025 21.982 627 HD2 HIS 80 HD2 HIS 80 -25.365 15.585 24.851 628 HE1 HIS 80 HE1 HIS 80 -23.618 17.110 21.296 629 HE2 HIS 80 HE2 HIS 80 -25.450 17.389 22.993 630 H HIS 81 H HIS 81 -24.758 13.039 21.421 631 HA HIS 81 HA HIS 81 -23.298 11.573 19.490 632 HB2 HIS 81 HB2 HIS 81 -25.121 13.991 19.200 633 HB3 HIS 81 HB3 HIS 81 -24.455 13.118 17.824 634 HD1 HIS 81 HD1 HIS 81 -25.141 10.472 17.776 635 HD2 HIS 81 HD2 HIS 81 -27.536 12.998 20.042 636 HE1 HIS 81 HE1 HIS 81 -27.289 9.225 18.125 637 HE2 HIS 81 HE2 HIS 81 -28.752 10.805 19.423 638 H HIS 82 H HIS 82 -21.330 11.897 18.714 639 HA HIS 82 HA HIS 82 -20.414 14.531 17.847 640 HB2 HIS 82 HB2 HIS 82 -19.035 12.943 20.009 641 HB3 HIS 82 HB3 HIS 82 -17.997 13.669 18.795 642 HD1 HIS 82 HD1 HIS 82 -18.068 14.499 21.842 643 HD2 HIS 82 HD2 HIS 82 -19.917 16.538 18.727 644 HE1 HIS 82 HE1 HIS 82 -18.240 16.883 22.607 645 HE2 HIS 82 HE2 HIS 82 -19.502 18.052 20.777 646 H1 MET 1 H MET 1 0.871 -14.364 8.429 647 HA MET 1 HA MET 1 3.538 -15.232 7.682 648 HB2 MET 1 HB2 MET 1 1.644 -14.838 6.003 649 HB3 MET 1 HB3 MET 1 1.826 -13.116 6.305 650 HG2 MET 1 HG2 MET 1 4.102 -13.179 5.446 651 HG3 MET 1 HG3 MET 1 3.999 -14.930 5.235 652 HE1 MET 1 HE1 MET 1 3.964 -13.998 1.506 653 HE2 MET 1 HE2 MET 1 4.571 -15.102 2.741 654 HE3 MET 1 HE3 MET 1 5.005 -13.393 2.796 655 H ASP 2 H ASP 2 5.380 -13.889 7.646 656 HA ASP 2 HA ASP 2 5.636 -12.151 9.861 657 HB2 ASP 2 HB2 ASP 2 7.579 -12.419 7.527 658 HB3 ASP 2 HB3 ASP 2 7.946 -11.764 9.119 659 H LYS 3 H LYS 3 5.216 -10.059 10.079 660 HA LYS 3 HA LYS 3 4.440 -8.299 7.938 661 HB2 LYS 3 HB2 LYS 3 3.491 -8.189 10.241 662 HB3 LYS 3 HB3 LYS 3 5.067 -7.729 10.868 663 HG2 LYS 3 HG2 LYS 3 4.954 -5.616 9.595 664 HG3 LYS 3 HG3 LYS 3 3.370 -6.083 8.963 665 HD2 LYS 3 HD2 LYS 3 2.408 -6.023 11.214 666 HD3 LYS 3 HD3 LYS 3 4.000 -5.713 11.922 667 HE2 LYS 3 HE2 LYS 3 4.100 -3.557 10.704 668 HE3 LYS 3 HE3 LYS 3 2.491 -3.864 10.044 669 HZ1 LYS 3 HZ1 LYS 3 1.555 -3.714 12.180 670 HZ2 LYS 3 HZ2 LYS 3 2.585 -2.387 12.021 671 HZ3 LYS 3 HZ3 LYS 3 3.058 -3.716 12.943 672 H LYS 4 H LYS 4 7.468 -9.209 9.267 673 HA LYS 4 HA LYS 4 9.091 -6.966 8.650 674 HB2 LYS 4 HB2 LYS 4 9.798 -8.815 10.151 675 HB3 LYS 4 HB3 LYS 4 9.804 -9.925 8.790 676 HG2 LYS 4 HG2 LYS 4 12.077 -9.265 9.364 677 HG3 LYS 4 HG3 LYS 4 11.654 -8.682 7.754 678 HD2 LYS 4 HD2 LYS 4 11.267 -6.414 8.666 679 HD3 LYS 4 HD3 LYS 4 11.644 -6.991 10.294 680 HE2 LYS 4 HE2 LYS 4 13.573 -6.975 7.942 681 HE3 LYS 4 HE3 LYS 4 13.552 -5.798 9.255 682 HZ1 LYS 4 HZ1 LYS 4 14.056 -8.704 9.563 683 HZ2 LYS 4 HZ2 LYS 4 14.064 -7.566 10.810 684 HZ3 LYS 4 HZ3 LYS 4 15.237 -7.496 9.592 685 H ILE 5 H ILE 5 7.734 -9.507 6.652 686 HA ILE 5 HA ILE 5 9.506 -9.548 4.468 687 HB ILE 5 HB ILE 5 6.513 -10.124 4.541 688 HG12 ILE 5 HG12 ILE 5 8.900 -12.025 4.624 689 HG13 ILE 5 HG13 ILE 5 7.961 -11.533 6.028 690 HG21 ILE 5 HG21 ILE 5 8.487 -10.847 2.337 691 HG22 ILE 5 HG22 ILE 5 7.165 -9.684 2.207 692 HG23 ILE 5 HG23 ILE 5 6.811 -11.396 2.434 693 HD11 ILE 5 HD11 ILE 5 7.347 -13.748 5.291 694 HD12 ILE 5 HD12 ILE 5 6.940 -13.137 3.688 695 HD13 ILE 5 HD13 ILE 5 5.992 -12.638 5.091 696 H VAL 6 H VAL 6 6.625 -7.442 5.016 697 HA VAL 6 HA VAL 6 6.797 -6.070 2.513 698 HB VAL 6 HB VAL 6 5.308 -4.352 3.427 699 HG11 VAL 6 HG11 VAL 6 3.381 -5.748 4.066 700 HG12 VAL 6 HG12 VAL 6 4.457 -7.124 4.330 701 HG13 VAL 6 HG13 VAL 6 4.269 -6.447 2.709 702 HG21 VAL 6 HG21 VAL 6 4.554 -4.353 5.788 703 HG22 VAL 6 HG22 VAL 6 6.289 -4.060 5.668 704 HG23 VAL 6 HG23 VAL 6 5.696 -5.648 6.154 705 H GLY 7 H GLY 7 8.434 -5.620 5.592 706 HA2 GLY 7 HA2 GLY 7 9.618 -3.078 5.156 707 HA3 GLY 7 HA3 GLY 7 10.193 -4.316 6.257 708 H ALA 8 H ALA 8 10.871 -6.359 4.634 709 HA ALA 8 HA ALA 8 13.387 -5.713 3.543 710 HB1 ALA 8 HB1 ALA 8 13.399 -8.040 2.732 711 HB2 ALA 8 HB2 ALA 8 11.659 -8.161 3.022 712 HB3 ALA 8 HB3 ALA 8 12.767 -7.957 4.380 713 H ASN 9 H ASN 9 10.246 -6.273 2.008 714 HA ASN 9 HA ASN 9 11.063 -5.953 -0.707 715 HB2 ASN 9 HB2 ASN 9 8.333 -5.831 0.631 716 HB3 ASN 9 HB3 ASN 9 8.563 -5.799 -1.117 717 HD21 ASN 9 HD21 ASN 9 7.258 -7.777 0.691 718 HD22 ASN 9 HD22 ASN 9 7.997 -9.289 0.315 719 H ALA 10 H ALA 10 10.082 -3.661 1.789 720 HA ALA 10 HA ALA 10 9.349 -1.497 0.026 721 HB1 ALA 10 HB1 ALA 10 10.019 -1.443 2.995 722 HB2 ALA 10 HB2 ALA 10 8.415 -1.692 2.302 723 HB3 ALA 10 HB3 ALA 10 9.237 -0.147 2.080 724 H GLY 11 H GLY 11 12.259 -2.411 1.853 725 HA2 GLY 11 HA2 GLY 11 13.895 -0.172 1.295 726 HA3 GLY 11 HA3 GLY 11 14.466 -1.793 1.662 727 H LYS 12 H LYS 12 13.265 -3.115 -0.516 728 HA LYS 12 HA LYS 12 15.156 -2.765 -2.620 729 HB2 LYS 12 HB2 LYS 12 14.088 -4.936 -1.913 730 HB3 LYS 12 HB3 LYS 12 12.567 -4.371 -2.596 731 HG2 LYS 12 HG2 LYS 12 13.633 -4.313 -4.847 732 HG3 LYS 12 HG3 LYS 12 15.127 -4.940 -4.131 733 HD2 LYS 12 HD2 LYS 12 13.838 -6.963 -3.359 734 HD3 LYS 12 HD3 LYS 12 12.422 -6.346 -4.216 735 HE2 LYS 12 HE2 LYS 12 13.483 -8.015 -5.595 736 HE3 LYS 12 HE3 LYS 12 13.756 -6.444 -6.345 737 HZ1 LYS 12 HZ1 LYS 12 15.973 -6.439 -5.313 738 HZ2 LYS 12 HZ2 LYS 12 15.759 -7.719 -6.391 739 HZ3 LYS 12 HZ3 LYS 12 15.695 -7.998 -4.724 740 H VAL 13 H VAL 13 11.667 -2.039 -2.323 741 HA VAL 13 HA VAL 13 11.142 -0.972 -4.878 742 HB VAL 13 HB VAL 13 9.805 -0.519 -2.178 743 HG11 VAL 13 HG11 VAL 13 9.334 1.506 -3.482 744 HG12 VAL 13 HG12 VAL 13 7.876 0.521 -3.361 745 HG13 VAL 13 HG13 VAL 13 8.812 0.530 -4.856 746 HG21 VAL 13 HG21 VAL 13 9.594 -2.788 -3.143 747 HG22 VAL 13 HG22 VAL 13 8.915 -2.105 -4.622 748 HG23 VAL 13 HG23 VAL 13 8.028 -1.973 -3.101 749 H TRP 14 H TRP 14 12.122 0.672 -1.880 750 HA TRP 14 HA TRP 14 12.180 3.311 -2.924 751 HB2 TRP 14 HB2 TRP 14 12.050 2.793 -0.475 752 HB3 TRP 14 HB3 TRP 14 13.730 2.267 -0.515 753 HD1 TRP 14 HD1 TRP 14 11.614 5.485 -0.961 754 HE1 TRP 14 HE1 TRP 14 13.128 7.512 -0.530 755 HE3 TRP 14 HE3 TRP 14 16.027 3.057 -0.399 756 HZ2 TRP 14 HZ2 TRP 14 15.858 8.023 0.003 757 HZ3 TRP 14 HZ3 TRP 14 18.077 4.364 0.080 758 HH2 TRP 14 HH2 TRP 14 17.985 6.808 0.274 759 H HIS 15 H HIS 15 14.657 0.787 -2.768 760 HA HIS 15 HA HIS 15 16.893 2.317 -3.616 761 HB2 HIS 15 HB2 HIS 15 16.996 -0.003 -2.621 762 HB3 HIS 15 HB3 HIS 15 16.382 -0.648 -4.137 763 HD1 HIS 15 HD1 HIS 15 18.014 -0.720 -6.143 764 HD2 HIS 15 HD2 HIS 15 19.702 0.798 -2.662 765 HE1 HIS 15 HE1 HIS 15 20.485 -0.667 -6.564 766 HE2 HIS 15 HE2 HIS 15 21.492 0.068 -4.383 767 H ALA 16 H ALA 16 14.321 0.655 -5.403 768 HA ALA 16 HA ALA 16 15.297 1.170 -8.047 769 HB1 ALA 16 HB1 ALA 16 12.477 0.533 -7.141 770 HB2 ALA 16 HB2 ALA 16 13.715 -0.648 -7.569 771 HB3 ALA 16 HB3 ALA 16 13.081 0.447 -8.799 772 H LEU 17 H LEU 17 13.367 3.092 -5.798 773 HA LEU 17 HA LEU 17 12.601 5.199 -7.584 774 HB2 LEU 17 HB2 LEU 17 13.068 5.145 -4.583 775 HB3 LEU 17 HB3 LEU 17 12.447 6.558 -5.423 776 HG LEU 17 HG LEU 17 11.039 3.859 -5.422 777 HD11 LEU 17 HD11 LEU 17 11.174 4.743 -3.126 778 HD12 LEU 17 HD12 LEU 17 9.520 4.767 -3.744 779 HD13 LEU 17 HD13 LEU 17 10.450 6.265 -3.665 780 HD21 LEU 17 HD21 LEU 17 10.479 5.272 -7.337 781 HD22 LEU 17 HD22 LEU 17 10.117 6.628 -6.265 782 HD23 LEU 17 HD23 LEU 17 9.106 5.178 -6.232 783 H ASN 18 H ASN 18 15.359 4.838 -5.324 784 HA ASN 18 HA ASN 18 16.830 7.128 -6.011 785 HB2 ASN 18 HB2 ASN 18 17.291 5.682 -4.028 786 HB3 ASN 18 HB3 ASN 18 17.887 4.420 -5.096 787 HD21 ASN 18 HD21 ASN 18 18.564 7.897 -5.439 788 HD22 ASN 18 HD22 ASN 18 20.252 7.757 -5.121 789 H GLU 19 H GLU 19 16.513 4.053 -7.643 790 HA GLU 19 HA GLU 19 18.640 4.339 -9.548 791 HB2 GLU 19 HB2 GLU 19 17.695 2.153 -8.886 792 HB3 GLU 19 HB3 GLU 19 16.134 2.595 -9.551 793 HG2 GLU 19 HG2 GLU 19 18.596 2.412 -11.294 794 HG3 GLU 19 HG3 GLU 19 17.666 0.977 -10.877 795 H ALA 20 H ALA 20 15.076 4.812 -9.734 796 HA ALA 20 HA ALA 20 15.307 7.028 -11.570 797 HB1 ALA 20 HB1 ALA 20 14.082 6.035 -13.460 798 HB2 ALA 20 HB2 ALA 20 14.044 4.475 -12.629 799 HB3 ALA 20 HB3 ALA 20 15.583 5.159 -13.151 800 H ASP 21 H ASP 21 13.853 8.411 -10.751 801 HA ASP 21 HA ASP 21 11.322 7.666 -9.557 802 HB2 ASP 21 HB2 ASP 21 12.334 10.439 -10.303 803 HB3 ASP 21 HB3 ASP 21 11.017 10.065 -9.193 804 H GLY 22 H GLY 22 9.424 9.311 -10.290 805 HA2 GLY 22 HA2 GLY 22 7.837 9.902 -11.858 806 HA3 GLY 22 HA3 GLY 22 9.072 9.770 -13.106 807 H ILE 23 H ILE 23 8.318 7.182 -10.907 808 HA ILE 23 HA ILE 23 7.471 5.480 -13.164 809 HB ILE 23 HB ILE 23 9.659 4.964 -11.977 810 HG12 ILE 23 HG12 ILE 23 9.235 2.470 -11.753 811 HG13 ILE 23 HG13 ILE 23 7.513 2.791 -11.940 812 HG21 ILE 23 HG21 ILE 23 9.047 5.558 -9.682 813 HG22 ILE 23 HG22 ILE 23 9.661 3.906 -9.758 814 HG23 ILE 23 HG23 ILE 23 7.926 4.194 -9.605 815 HD11 ILE 23 HD11 ILE 23 9.641 3.425 -13.989 816 HD12 ILE 23 HD12 ILE 23 7.898 3.629 -14.189 817 HD13 ILE 23 HD13 ILE 23 8.583 2.015 -14.003 818 H SER 24 H SER 24 5.648 4.165 -12.933 819 HA SER 24 HA SER 24 3.770 4.773 -10.736 820 HB2 SER 24 HB2 SER 24 2.894 4.891 -13.065 821 HB3 SER 24 HB3 SER 24 3.307 3.195 -13.313 822 HG SER 24 HG SER 24 1.083 3.568 -12.742 823 H ILE 25 H ILE 25 2.492 2.884 -9.869 824 HA ILE 25 HA ILE 25 4.230 1.285 -8.374 825 HB ILE 25 HB ILE 25 1.232 0.986 -8.769 826 HG12 ILE 25 HG12 ILE 25 2.796 2.369 -6.534 827 HG13 ILE 25 HG13 ILE 25 1.952 3.185 -7.844 828 HG21 ILE 25 HG21 ILE 25 2.946 -0.318 -6.618 829 HG22 ILE 25 HG22 ILE 25 2.080 -1.143 -7.919 830 HG23 ILE 25 HG23 ILE 25 1.180 -0.309 -6.657 831 HD11 ILE 25 HD11 ILE 25 0.676 3.281 -5.786 832 HD12 ILE 25 HD12 ILE 25 0.657 1.521 -5.679 833 HD13 ILE 25 HD13 ILE 25 -0.186 2.336 -7.001 834 HA PRO 26 HA PRO 26 2.917 -2.691 -10.965 835 HB2 PRO 26 HB2 PRO 26 2.079 -2.374 -13.576 836 HB3 PRO 26 HB3 PRO 26 0.963 -2.406 -12.205 837 HG2 PRO 26 HG2 PRO 26 2.153 -0.013 -13.612 838 HG3 PRO 26 HG3 PRO 26 0.453 -0.318 -13.186 839 HD2 PRO 26 HD2 PRO 26 1.976 1.263 -11.637 840 HD3 PRO 26 HD3 PRO 26 0.808 0.143 -10.899 841 H GLU 27 H GLU 27 4.458 0.009 -12.623 842 HA GLU 27 HA GLU 27 6.190 -1.590 -14.332 843 HB2 GLU 27 HB2 GLU 27 6.221 1.382 -13.645 844 HB3 GLU 27 HB3 GLU 27 7.157 0.623 -14.938 845 HG2 GLU 27 HG2 GLU 27 4.139 0.879 -14.776 846 HG3 GLU 27 HG3 GLU 27 5.216 1.727 -15.883 847 H LEU 28 H LEU 28 6.513 0.439 -11.502 848 HA LEU 28 HA LEU 28 9.157 0.039 -10.706 849 HB2 LEU 28 HB2 LEU 28 7.646 1.714 -9.784 850 HB3 LEU 28 HB3 LEU 28 6.567 0.468 -9.185 851 HG LEU 28 HG LEU 28 8.313 -0.214 -7.542 852 HD11 LEU 28 HD11 LEU 28 9.833 2.233 -8.493 853 HD12 LEU 28 HD12 LEU 28 10.332 0.550 -8.698 854 HD13 LEU 28 HD13 LEU 28 10.224 1.243 -7.082 855 HD21 LEU 28 HD21 LEU 28 7.431 2.676 -7.444 856 HD22 LEU 28 HD22 LEU 28 7.944 1.708 -6.056 857 HD23 LEU 28 HD23 LEU 28 6.483 1.271 -6.947 858 H ALA 29 H ALA 29 6.228 -1.878 -10.038 859 HA ALA 29 HA ALA 29 7.276 -3.898 -8.390 860 HB1 ALA 29 HB1 ALA 29 5.303 -5.222 -9.055 861 HB2 ALA 29 HB2 ALA 29 4.998 -4.105 -10.389 862 HB3 ALA 29 HB3 ALA 29 4.865 -3.545 -8.722 863 H ARG 30 H ARG 30 7.204 -3.626 -11.933 864 HA ARG 30 HA ARG 30 8.288 -6.186 -12.560 865 HB2 ARG 30 HB2 ARG 30 8.343 -3.581 -14.137 866 HB3 ARG 30 HB3 ARG 30 8.832 -5.143 -14.791 867 HG2 ARG 30 HG2 ARG 30 6.048 -4.480 -13.775 868 HG3 ARG 30 HG3 ARG 30 6.542 -4.465 -15.469 869 HD2 ARG 30 HD2 ARG 30 6.543 -6.895 -13.637 870 HD3 ARG 30 HD3 ARG 30 5.357 -6.549 -14.899 871 HE ARG 30 HE ARG 30 7.643 -6.539 -16.304 872 HH11 ARG 30 HH11 ARG 30 6.442 -8.876 -14.048 873 HH12 ARG 30 HH12 ARG 30 7.252 -10.186 -14.826 874 HH21 ARG 30 HH21 ARG 30 8.662 -8.252 -17.269 875 HH22 ARG 30 HH22 ARG 30 8.484 -9.837 -16.612 876 H LYS 31 H LYS 31 9.804 -3.028 -11.886 877 HA LYS 31 HA LYS 31 12.488 -3.756 -12.512 878 HB2 LYS 31 HB2 LYS 31 11.542 -1.601 -10.561 879 HB3 LYS 31 HB3 LYS 31 13.164 -1.738 -11.238 880 HG2 LYS 31 HG2 LYS 31 12.005 -1.473 -13.548 881 HG3 LYS 31 HG3 LYS 31 10.596 -0.932 -12.633 882 HD2 LYS 31 HD2 LYS 31 13.364 0.344 -12.626 883 HD3 LYS 31 HD3 LYS 31 11.931 0.980 -13.429 884 HE2 LYS 31 HE2 LYS 31 10.856 1.332 -11.232 885 HE3 LYS 31 HE3 LYS 31 12.277 0.660 -10.428 886 HZ1 LYS 31 HZ1 LYS 31 12.199 3.145 -12.061 887 HZ2 LYS 31 HZ2 LYS 31 13.599 2.478 -11.382 888 HZ3 LYS 31 HZ3 LYS 31 12.363 3.049 -10.378 889 H VAL 32 H VAL 32 10.597 -3.928 -9.507 890 HA VAL 32 HA VAL 32 12.869 -5.057 -8.009 891 HB VAL 32 HB VAL 32 11.487 -4.765 -5.989 892 HG11 VAL 32 HG11 VAL 32 11.593 -2.268 -7.724 893 HG12 VAL 32 HG12 VAL 32 12.903 -2.902 -6.723 894 HG13 VAL 32 HG13 VAL 32 11.434 -2.293 -5.965 895 HG21 VAL 32 HG21 VAL 32 9.341 -3.641 -7.835 896 HG22 VAL 32 HG22 VAL 32 9.288 -3.625 -6.072 897 HG23 VAL 32 HG23 VAL 32 9.245 -5.158 -6.942 898 H ASN 33 H ASN 33 10.661 -6.386 -10.009 899 HA ASN 33 HA ASN 33 10.086 -8.522 -10.486 900 HB2 ASN 33 HB2 ASN 33 12.489 -8.949 -9.731 901 HB3 ASN 33 HB3 ASN 33 11.856 -9.392 -8.154 902 HD21 ASN 33 HD21 ASN 33 12.585 -11.508 -8.244 903 HD22 ASN 33 HD22 ASN 33 11.974 -12.685 -9.350 904 H LEU 34 H LEU 34 8.748 -6.948 -8.097 905 HA LEU 34 HA LEU 34 7.364 -9.160 -6.704 906 HB2 LEU 34 HB2 LEU 34 7.158 -6.158 -6.191 907 HB3 LEU 34 HB3 LEU 34 6.533 -7.441 -5.165 908 HG LEU 34 HG LEU 34 9.479 -6.847 -5.664 909 HD11 LEU 34 HD11 LEU 34 8.431 -5.123 -4.306 910 HD12 LEU 34 HD12 LEU 34 9.544 -6.083 -3.338 911 HD13 LEU 34 HD13 LEU 34 7.803 -6.340 -3.188 912 HD21 LEU 34 HD21 LEU 34 8.230 -8.927 -3.835 913 HD22 LEU 34 HD22 LEU 34 9.945 -8.512 -3.894 914 HD23 LEU 34 HD23 LEU 34 9.167 -9.235 -5.298 915 H SER 35 H SER 35 4.953 -8.940 -6.434 916 HA SER 35 HA SER 35 3.529 -8.269 -8.844 917 HB2 SER 35 HB2 SER 35 2.506 -8.965 -6.055 918 HB3 SER 35 HB3 SER 35 1.476 -8.798 -7.478 919 HG SER 35 HG SER 35 2.338 -10.613 -8.339 920 H VAL 36 H VAL 36 1.744 -6.728 -8.954 921 HA VAL 36 HA VAL 36 2.402 -4.078 -8.532 922 HB VAL 36 HB VAL 36 -0.351 -5.329 -8.877 923 HG11 VAL 36 HG11 VAL 36 -1.108 -3.102 -9.731 924 HG12 VAL 36 HG12 VAL 36 0.408 -2.402 -9.160 925 HG13 VAL 36 HG13 VAL 36 -0.732 -3.116 -8.004 926 HG21 VAL 36 HG21 VAL 36 -0.083 -4.768 -11.273 927 HG22 VAL 36 HG22 VAL 36 1.177 -5.868 -10.713 928 HG23 VAL 36 HG23 VAL 36 1.542 -4.159 -10.947 929 H GLU 37 H GLU 37 -0.076 -5.882 -6.681 930 HA GLU 37 HA GLU 37 -0.568 -3.819 -4.772 931 HB2 GLU 37 HB2 GLU 37 -1.265 -6.782 -4.617 932 HB3 GLU 37 HB3 GLU 37 -1.897 -5.542 -3.541 933 HG2 GLU 37 HG2 GLU 37 -3.600 -5.967 -5.145 934 HG3 GLU 37 HG3 GLU 37 -2.909 -4.414 -5.563 935 H SER 38 H SER 38 1.615 -6.565 -4.787 936 HA SER 38 HA SER 38 2.519 -6.567 -2.124 937 HB2 SER 38 HB2 SER 38 4.031 -7.271 -4.675 938 HB3 SER 38 HB3 SER 38 4.552 -7.690 -3.044 939 HG SER 38 HG SER 38 3.470 -9.436 -3.921 940 H THR 39 H THR 39 3.556 -4.670 -4.934 941 HA THR 39 HA THR 39 5.661 -3.236 -3.591 942 HB THR 39 HB THR 39 4.277 -2.776 -6.260 943 HG1 THR 39 HG1 THR 39 6.801 -3.494 -6.541 944 HG21 THR 39 HG21 THR 39 5.259 -0.634 -5.526 945 HG22 THR 39 HG22 THR 39 6.188 -1.317 -6.861 946 HG23 THR 39 HG23 THR 39 6.801 -1.435 -5.211 947 H ALA 40 H ALA 40 2.276 -2.466 -4.496 948 HA ALA 40 HA ALA 40 2.150 0.243 -3.722 949 HB1 ALA 40 HB1 ALA 40 -0.078 -1.826 -3.672 950 HB2 ALA 40 HB2 ALA 40 0.420 -0.888 -5.080 951 HB3 ALA 40 HB3 ALA 40 -0.296 -0.072 -3.689 952 H LEU 41 H LEU 41 1.526 -2.694 -1.883 953 HA LEU 41 HA LEU 41 0.848 -1.691 0.654 954 HB2 LEU 41 HB2 LEU 41 0.968 -4.125 -0.424 955 HB3 LEU 41 HB3 LEU 41 2.566 -4.150 0.278 956 HG LEU 41 HG LEU 41 -0.111 -4.073 1.707 957 HD11 LEU 41 HD11 LEU 41 0.678 -6.222 2.627 958 HD12 LEU 41 HD12 LEU 41 2.149 -6.083 1.658 959 HD13 LEU 41 HD13 LEU 41 0.577 -6.227 0.867 960 HD21 LEU 41 HD21 LEU 41 2.614 -3.829 3.045 961 HD22 LEU 41 HD22 LEU 41 1.069 -4.070 3.867 962 HD23 LEU 41 HD23 LEU 41 1.368 -2.580 2.980 963 H ALA 42 H ALA 42 4.006 -2.610 -0.702 964 HA ALA 42 HA ALA 42 5.662 -2.007 1.503 965 HB1 ALA 42 HB1 ALA 42 7.520 -2.182 -0.104 966 HB2 ALA 42 HB2 ALA 42 6.376 -2.092 -1.447 967 HB3 ALA 42 HB3 ALA 42 6.342 -3.473 -0.351 968 H VAL 43 H VAL 43 4.370 0.039 -1.045 969 HA VAL 43 HA VAL 43 6.003 2.362 -0.620 970 HB VAL 43 HB VAL 43 3.222 2.077 -1.845 971 HG11 VAL 43 HG11 VAL 43 4.973 4.567 -1.840 972 HG12 VAL 43 HG12 VAL 43 3.422 4.380 -1.020 973 HG13 VAL 43 HG13 VAL 43 3.493 4.361 -2.781 974 HG21 VAL 43 HG21 VAL 43 4.393 2.382 -4.013 975 HG22 VAL 43 HG22 VAL 43 5.004 0.976 -3.144 976 HG23 VAL 43 HG23 VAL 43 5.940 2.470 -3.166 977 H GLY 44 H GLY 44 2.883 1.302 0.757 978 HA2 GLY 44 HA2 GLY 44 2.390 3.530 2.457 979 HA3 GLY 44 HA3 GLY 44 1.739 1.909 2.657 980 H TRP 45 H TRP 45 4.407 0.663 2.835 981 HA TRP 45 HA TRP 45 5.036 1.038 5.615 982 HB2 TRP 45 HB2 TRP 45 5.202 -1.159 4.379 983 HB3 TRP 45 HB3 TRP 45 6.602 -0.528 3.517 984 HD1 TRP 45 HD1 TRP 45 8.927 -0.714 4.771 985 HE1 TRP 45 HE1 TRP 45 9.655 -1.671 7.035 986 HE3 TRP 45 HE3 TRP 45 4.337 -1.271 6.921 987 HZ2 TRP 45 HZ2 TRP 45 8.462 -2.536 9.437 988 HZ3 TRP 45 HZ3 TRP 45 4.209 -2.153 9.222 989 HH2 TRP 45 HH2 TRP 45 6.232 -2.771 10.455 990 H LEU 46 H LEU 46 6.486 2.115 2.568 991 HA LEU 46 HA LEU 46 8.787 3.390 3.720 992 HB2 LEU 46 HB2 LEU 46 7.396 3.681 1.045 993 HB3 LEU 46 HB3 LEU 46 8.827 4.613 1.463 994 HG LEU 46 HG LEU 46 8.710 1.573 1.349 995 HD11 LEU 46 HD11 LEU 46 9.925 3.502 -0.653 996 HD12 LEU 46 HD12 LEU 46 8.477 2.516 -0.886 997 HD13 LEU 46 HD13 LEU 46 10.047 1.740 -0.696 998 HD21 LEU 46 HD21 LEU 46 11.099 3.415 1.750 999 HD22 LEU 46 HD22 LEU 46 11.157 1.656 1.588 1000 HD23 LEU 46 HD23 LEU 46 10.359 2.382 2.978 1001 H ALA 47 H ALA 47 5.453 4.425 3.181 1002 HA ALA 47 HA ALA 47 5.598 7.149 3.698 1003 HB1 ALA 47 HB1 ALA 47 3.258 7.015 4.414 1004 HB2 ALA 47 HB2 ALA 47 3.402 5.267 4.613 1005 HB3 ALA 47 HB3 ALA 47 3.536 5.983 3.007 1006 H ARG 48 H ARG 48 5.705 4.488 6.154 1007 HA ARG 48 HA ARG 48 5.766 6.320 8.407 1008 HB2 ARG 48 HB2 ARG 48 6.222 4.466 9.837 1009 HB3 ARG 48 HB3 ARG 48 5.109 3.869 8.615 1010 HG2 ARG 48 HG2 ARG 48 6.807 2.620 7.523 1011 HG3 ARG 48 HG3 ARG 48 8.096 3.458 8.381 1012 HD2 ARG 48 HD2 ARG 48 7.171 2.381 10.522 1013 HD3 ARG 48 HD3 ARG 48 6.180 1.372 9.462 1014 HE ARG 48 HE ARG 48 8.043 0.172 8.921 1015 HH11 ARG 48 HH11 ARG 48 9.127 3.048 10.502 1016 HH12 ARG 48 HH12 ARG 48 10.793 2.615 10.366 1017 HH21 ARG 48 HH21 ARG 48 10.179 -0.384 8.800 1018 HH22 ARG 48 HH22 ARG 48 11.374 0.683 9.441 1019 H GLU 49 H GLU 49 8.180 4.925 6.288 1020 HA GLU 49 HA GLU 49 10.533 5.676 7.729 1021 HB2 GLU 49 HB2 GLU 49 10.007 4.893 4.848 1022 HB3 GLU 49 HB3 GLU 49 11.617 5.338 5.395 1023 HG2 GLU 49 HG2 GLU 49 10.017 3.079 6.639 1024 HG3 GLU 49 HG3 GLU 49 11.116 2.855 5.277 1025 H ASN 50 H ASN 50 8.366 7.427 5.672 1026 HA ASN 50 HA ASN 50 8.233 9.535 4.865 1027 HB2 ASN 50 HB2 ASN 50 10.180 10.074 7.145 1028 HB3 ASN 50 HB3 ASN 50 9.436 11.352 6.184 1029 HD21 ASN 50 HD21 ASN 50 8.782 8.751 8.456 1030 HD22 ASN 50 HD22 ASN 50 7.243 9.339 8.961 1031 H LYS 51 H LYS 51 10.084 7.782 3.573 1032 HA LYS 51 HA LYS 51 12.111 9.651 2.472 1033 HB2 LYS 51 HB2 LYS 51 11.926 6.616 2.270 1034 HB3 LYS 51 HB3 LYS 51 13.207 7.603 1.568 1035 HG2 LYS 51 HG2 LYS 51 13.830 8.359 3.868 1036 HG3 LYS 51 HG3 LYS 51 12.605 7.271 4.527 1037 HD2 LYS 51 HD2 LYS 51 15.055 6.446 2.916 1038 HD3 LYS 51 HD3 LYS 51 14.863 6.291 4.663 1039 HE2 LYS 51 HE2 LYS 51 12.892 4.764 4.207 1040 HE3 LYS 51 HE3 LYS 51 13.345 4.807 2.500 1041 HZ1 LYS 51 HZ1 LYS 51 15.486 3.880 3.086 1042 HZ2 LYS 51 HZ2 LYS 51 14.240 2.880 3.629 1043 HZ3 LYS 51 HZ3 LYS 51 15.066 3.866 4.726 1044 H VAL 52 H VAL 52 9.014 8.798 1.709 1045 HA VAL 52 HA VAL 52 9.480 8.824 -1.228 1046 HB VAL 52 HB VAL 52 7.346 7.513 -1.469 1047 HG11 VAL 52 HG11 VAL 52 9.552 6.133 0.105 1048 HG12 VAL 52 HG12 VAL 52 9.534 6.411 -1.638 1049 HG13 VAL 52 HG13 VAL 52 8.347 5.331 -0.909 1050 HG21 VAL 52 HG21 VAL 52 6.295 8.010 0.712 1051 HG22 VAL 52 HG22 VAL 52 7.569 7.123 1.551 1052 HG23 VAL 52 HG23 VAL 52 6.448 6.265 0.490 1053 H VAL 53 H VAL 53 8.148 10.028 -2.528 1054 HA VAL 53 HA VAL 53 6.141 11.813 -1.259 1055 HB VAL 53 HB VAL 53 7.766 12.352 -3.794 1056 HG11 VAL 53 HG11 VAL 53 5.557 13.443 -3.872 1057 HG12 VAL 53 HG12 VAL 53 6.832 14.646 -3.681 1058 HG13 VAL 53 HG13 VAL 53 5.844 14.185 -2.293 1059 HG21 VAL 53 HG21 VAL 53 9.227 12.450 -1.817 1060 HG22 VAL 53 HG22 VAL 53 8.122 13.577 -1.029 1061 HG23 VAL 53 HG23 VAL 53 8.983 14.064 -2.491 1062 H ILE 54 H ILE 54 4.200 10.855 -1.648 1063 HA ILE 54 HA ILE 54 3.515 9.732 -4.273 1064 HB ILE 54 HB ILE 54 1.884 9.920 -1.690 1065 HG12 ILE 54 HG12 ILE 54 1.927 7.352 -1.875 1066 HG13 ILE 54 HG13 ILE 54 3.120 7.538 -3.152 1067 HG21 ILE 54 HG21 ILE 54 0.325 10.221 -3.555 1068 HG22 ILE 54 HG22 ILE 54 0.085 8.633 -2.830 1069 HG23 ILE 54 HG23 ILE 54 0.958 8.780 -4.357 1070 HD11 ILE 54 HD11 ILE 54 4.141 6.966 -1.029 1071 HD12 ILE 54 HD12 ILE 54 3.452 8.407 -0.281 1072 HD13 ILE 54 HD13 ILE 54 4.660 8.564 -1.560 1073 H GLU 55 H GLU 55 3.031 11.198 -5.818 1074 HA GLU 55 HA GLU 55 1.515 13.647 -5.142 1075 HB2 GLU 55 HB2 GLU 55 3.082 12.897 -7.642 1076 HB3 GLU 55 HB3 GLU 55 2.059 14.325 -7.527 1077 HG2 GLU 55 HG2 GLU 55 3.535 15.066 -5.584 1078 HG3 GLU 55 HG3 GLU 55 4.640 13.764 -6.044 1079 H ARG 56 H ARG 56 -0.634 13.635 -5.517 1080 HA ARG 56 HA ARG 56 -1.859 11.827 -7.479 1081 HB2 ARG 56 HB2 ARG 56 -3.126 13.872 -5.595 1082 HB3 ARG 56 HB3 ARG 56 -4.014 12.745 -6.623 1083 HG2 ARG 56 HG2 ARG 56 -3.054 10.840 -5.391 1084 HG3 ARG 56 HG3 ARG 56 -2.118 11.947 -4.381 1085 HD2 ARG 56 HD2 ARG 56 -4.246 12.894 -3.501 1086 HD3 ARG 56 HD3 ARG 56 -5.154 11.731 -4.481 1087 HE ARG 56 HE ARG 56 -3.384 11.083 -2.201 1088 HH11 ARG 56 HH11 ARG 56 -5.935 10.050 -4.335 1089 HH12 ARG 56 HH12 ARG 56 -6.199 8.589 -3.455 1090 HH21 ARG 56 HH21 ARG 56 -3.748 9.209 -1.123 1091 HH22 ARG 56 HH22 ARG 56 -4.988 8.128 -1.657 1092 H LYS 57 H LYS 57 -1.366 12.516 -9.459 1093 HA LYS 57 HA LYS 57 -1.294 15.379 -10.169 1094 HB2 LYS 57 HB2 LYS 57 -0.064 13.049 -11.702 1095 HB3 LYS 57 HB3 LYS 57 0.310 14.765 -11.879 1096 HG2 LYS 57 HG2 LYS 57 1.373 14.782 -9.668 1097 HG3 LYS 57 HG3 LYS 57 0.904 13.103 -9.407 1098 HD2 LYS 57 HD2 LYS 57 3.190 13.017 -10.015 1099 HD3 LYS 57 HD3 LYS 57 2.314 12.526 -11.465 1100 HE2 LYS 57 HE2 LYS 57 4.042 14.021 -12.170 1101 HE3 LYS 57 HE3 LYS 57 2.537 14.939 -12.265 1102 HZ1 LYS 57 HZ1 LYS 57 4.292 16.234 -11.248 1103 HZ2 LYS 57 HZ2 LYS 57 4.516 15.059 -10.052 1104 HZ3 LYS 57 HZ3 LYS 57 3.073 15.931 -10.116 1105 H ASN 58 H ASN 58 -3.055 16.066 -11.311 1106 HA ASN 58 HA ASN 58 -5.189 16.032 -12.091 1107 HB2 ASN 58 HB2 ASN 58 -4.192 13.867 -14.000 1108 HB3 ASN 58 HB3 ASN 58 -5.532 14.984 -14.261 1109 HD21 ASN 58 HD21 ASN 58 -2.078 14.613 -14.236 1110 HD22 ASN 58 HD22 ASN 58 -1.701 16.117 -14.997 1111 H GLY 59 H GLY 59 -4.642 14.304 -9.849 1112 HA2 GLY 59 HA2 GLY 59 -5.961 12.890 -8.534 1113 HA3 GLY 59 HA3 GLY 59 -6.867 12.403 -9.954 1114 H LEU 60 H LEU 60 -4.024 11.862 -11.237 1115 HA LEU 60 HA LEU 60 -4.110 9.021 -10.640 1116 HB2 LEU 60 HB2 LEU 60 -2.416 10.585 -12.631 1117 HB3 LEU 60 HB3 LEU 60 -2.359 8.842 -12.463 1118 HG LEU 60 HG LEU 60 -3.709 9.234 -14.363 1119 HD11 LEU 60 HD11 LEU 60 -4.645 7.533 -12.896 1120 HD12 LEU 60 HD12 LEU 60 -5.910 8.365 -13.796 1121 HD13 LEU 60 HD13 LEU 60 -5.645 8.748 -12.092 1122 HD21 LEU 60 HD21 LEU 60 -5.607 10.775 -14.479 1123 HD22 LEU 60 HD22 LEU 60 -4.121 11.628 -14.069 1124 HD23 LEU 60 HD23 LEU 60 -5.314 11.288 -12.813 1125 H ILE 61 H ILE 61 -2.668 7.832 -9.499 1126 HA ILE 61 HA ILE 61 -0.860 9.274 -7.732 1127 HB ILE 61 HB ILE 61 -1.734 6.357 -7.765 1128 HG12 ILE 61 HG12 ILE 61 -2.627 8.678 -5.993 1129 HG13 ILE 61 HG13 ILE 61 -3.569 7.968 -7.298 1130 HG21 ILE 61 HG21 ILE 61 0.465 6.519 -6.686 1131 HG22 ILE 61 HG22 ILE 61 -0.779 6.171 -5.485 1132 HG23 ILE 61 HG23 ILE 61 -0.126 7.803 -5.627 1133 HD11 ILE 61 HD11 ILE 61 -3.710 5.869 -6.054 1134 HD12 ILE 61 HD12 ILE 61 -4.353 7.227 -5.133 1135 HD13 ILE 61 HD13 ILE 61 -2.762 6.579 -4.743 1136 H GLU 62 H GLU 62 1.179 9.623 -8.343 1137 HA GLU 62 HA GLU 62 2.781 7.449 -9.573 1138 HB2 GLU 62 HB2 GLU 62 3.090 10.465 -9.866 1139 HB3 GLU 62 HB3 GLU 62 4.401 9.347 -10.233 1140 HG2 GLU 62 HG2 GLU 62 2.929 8.244 -11.920 1141 HG3 GLU 62 HG3 GLU 62 1.705 9.477 -11.612 1142 H ILE 63 H ILE 63 4.754 6.962 -8.598 1143 HA ILE 63 HA ILE 63 5.102 7.986 -5.849 1144 HB ILE 63 HB ILE 63 4.551 5.625 -5.849 1145 HG12 ILE 63 HG12 ILE 63 6.511 4.663 -4.632 1146 HG13 ILE 63 HG13 ILE 63 7.530 5.959 -5.248 1147 HG21 ILE 63 HG21 ILE 63 6.907 5.140 -7.697 1148 HG22 ILE 63 HG22 ILE 63 5.200 5.026 -8.130 1149 HG23 ILE 63 HG23 ILE 63 5.891 3.893 -6.968 1150 HD11 ILE 63 HD11 ILE 63 5.169 6.316 -3.403 1151 HD12 ILE 63 HD12 ILE 63 6.256 7.589 -3.973 1152 HD13 ILE 63 HD13 ILE 63 6.867 6.306 -2.931 1153 H TYR 64 H TYR 64 6.856 9.061 -5.347 1154 HA TYR 64 HA TYR 64 9.326 8.968 -6.991 1155 HB2 TYR 64 HB2 TYR 64 8.102 11.417 -5.624 1156 HB3 TYR 64 HB3 TYR 64 9.622 11.398 -6.506 1157 HD1 TYR 64 HD2 TYR 64 5.918 11.241 -6.865 1158 HD2 TYR 64 HD1 TYR 64 9.647 11.537 -8.943 1159 HE1 TYR 64 HE2 TYR 64 4.725 11.870 -8.923 1160 HE2 TYR 64 HE1 TYR 64 8.452 12.174 -10.989 1161 HH TYR 64 HH TYR 64 6.017 11.754 -11.922 1162 H ASN 65 H ASN 65 11.212 9.821 -5.727 1163 HA ASN 65 HA ASN 65 11.214 9.043 -2.880 1164 HB2 ASN 65 HB2 ASN 65 12.894 7.976 -4.353 1165 HB3 ASN 65 HB3 ASN 65 13.466 9.549 -4.882 1166 HD21 ASN 65 HD21 ASN 65 15.510 8.560 -4.243 1167 HD22 ASN 65 HD22 ASN 65 16.008 8.662 -2.601 1168 H GLU 66 H GLU 66 12.134 10.514 -1.336 1169 HA GLU 66 HA GLU 66 11.180 13.157 -1.490 1170 HB2 GLU 66 HB2 GLU 66 11.422 11.907 0.628 1171 HB3 GLU 66 HB3 GLU 66 13.173 11.962 0.481 1172 HG2 GLU 66 HG2 GLU 66 12.326 13.595 2.122 1173 HG3 GLU 66 HG3 GLU 66 13.172 14.379 0.788 1174 H GLY 67 H GLY 67 14.485 11.899 -1.886 1175 HA2 GLY 67 HA2 GLY 67 15.791 14.462 -2.082 1176 HA3 GLY 67 HA3 GLY 67 16.492 12.897 -2.441 1177 H HIS 68 H HIS 68 13.732 13.106 -4.288 1178 HA HIS 68 HA HIS 68 15.108 13.476 -6.772 1179 HB2 HIS 68 HB2 HIS 68 13.188 11.960 -6.604 1180 HB3 HIS 68 HB3 HIS 68 12.132 13.286 -6.128 1181 HD1 HIS 68 HD1 HIS 68 14.310 12.360 -9.112 1182 HD2 HIS 68 HD2 HIS 68 10.708 14.257 -8.256 1183 HE1 HIS 68 HE1 HIS 68 13.324 12.958 -11.333 1184 HE2 HIS 68 HE2 HIS 68 11.212 14.208 -10.800 1185 H PHE 69 H PHE 69 12.779 15.477 -4.964 1186 HA PHE 69 HA PHE 69 12.510 17.460 -7.050 1187 HB2 PHE 69 HB2 PHE 69 11.479 17.473 -4.180 1188 HB3 PHE 69 HB3 PHE 69 11.012 18.615 -5.441 1189 HD1 PHE 69 HD2 PHE 69 10.766 15.082 -4.334 1190 HD2 PHE 69 HD1 PHE 69 9.435 17.981 -7.189 1191 HE1 PHE 69 HE2 PHE 69 9.021 13.534 -5.104 1192 HE2 PHE 69 HE1 PHE 69 7.697 16.416 -7.950 1193 HZ PHE 69 HZ PHE 69 7.489 14.197 -6.911 1194 H ASP 70 H ASP 70 13.787 19.171 -7.374 1195 HA ASP 70 HA ASP 70 15.432 20.269 -5.169 1196 HB2 ASP 70 HB2 ASP 70 16.752 18.710 -6.662 1197 HB3 ASP 70 HB3 ASP 70 16.436 19.792 -8.011 1198 H PHE 71 H PHE 71 16.141 22.478 -5.518 1199 HA PHE 71 HA PHE 71 14.028 24.177 -6.481 1200 HB2 PHE 71 HB2 PHE 71 16.725 24.851 -5.236 1201 HB3 PHE 71 HB3 PHE 71 15.463 26.031 -5.572 1202 HD1 PHE 71 HD2 PHE 71 16.407 23.157 -3.421 1203 HD2 PHE 71 HD1 PHE 71 13.490 26.202 -4.161 1204 HE1 PHE 71 HE2 PHE 71 15.371 22.710 -1.234 1205 HE2 PHE 71 HE1 PHE 71 12.463 25.743 -1.975 1206 HZ PHE 71 HZ PHE 71 13.402 24.002 -0.511 1207 H SER 72 H SER 72 16.989 23.061 -7.935 1208 HA SER 72 HA SER 72 17.462 25.254 -9.731 1209 HB2 SER 72 HB2 SER 72 19.282 23.667 -9.221 1210 HB3 SER 72 HB3 SER 72 18.379 22.351 -9.970 1211 HG SER 72 HG SER 72 19.913 23.201 -11.418 1212 H PHE 73 H PHE 73 15.483 25.745 -10.633 1213 HA PHE 73 HA PHE 73 13.784 23.999 -12.062 1214 HB2 PHE 73 HB2 PHE 73 12.835 26.193 -13.025 1215 HB3 PHE 73 HB3 PHE 73 12.810 26.018 -11.278 1216 HD1 PHE 73 HD1 PHE 73 14.575 27.731 -14.092 1217 HD2 PHE 73 HD2 PHE 73 13.989 27.581 -9.855 1218 HE1 PHE 73 HE1 PHE 73 15.756 29.875 -13.845 1219 HE2 PHE 73 HE2 PHE 73 15.171 29.725 -9.624 1220 HZ PHE 73 HZ PHE 73 16.059 30.870 -11.615 1221 H GLY 74 H GLY 74 16.577 25.879 -13.097 1222 HA2 GLY 74 HA2 GLY 74 17.052 24.438 -15.471 1223 HA3 GLY 74 HA3 GLY 74 16.157 25.893 -15.891 1224 H LEU 75 H LEU 75 18.875 25.090 -13.689 1225 HA LEU 75 HA LEU 75 20.417 27.402 -14.672 1226 HB2 LEU 75 HB2 LEU 75 20.856 25.515 -12.323 1227 HB3 LEU 75 HB3 LEU 75 22.043 26.709 -12.815 1228 HG LEU 75 HG LEU 75 20.831 27.571 -10.915 1229 HD11 LEU 75 HD11 LEU 75 19.914 29.022 -13.406 1230 HD12 LEU 75 HD12 LEU 75 21.455 29.228 -12.571 1231 HD13 LEU 75 HD13 LEU 75 19.956 29.689 -11.769 1232 HD21 LEU 75 HD21 LEU 75 18.244 27.181 -12.450 1233 HD22 LEU 75 HD22 LEU 75 18.418 27.928 -10.858 1234 HD23 LEU 75 HD23 LEU 75 18.794 26.222 -11.074 1235 H GLU 76 H GLU 76 21.849 27.121 -16.287 1236 HA GLU 76 HA GLU 76 22.086 24.534 -17.514 1237 HB2 GLU 76 HB2 GLU 76 21.720 26.600 -18.827 1238 HB3 GLU 76 HB3 GLU 76 23.292 27.207 -18.324 1239 HG2 GLU 76 HG2 GLU 76 24.387 25.334 -19.528 1240 HG3 GLU 76 HG3 GLU 76 22.802 24.751 -20.040 1241 H HIS 77 H HIS 77 23.308 23.331 -16.011 1242 HA HIS 77 HA HIS 77 26.206 23.758 -15.878 1243 HB2 HIS 77 HB2 HIS 77 25.109 22.788 -13.909 1244 HB3 HIS 77 HB3 HIS 77 24.413 21.497 -14.881 1245 HD1 HIS 77 HD1 HIS 77 25.557 19.391 -14.230 1246 HD2 HIS 77 HD2 HIS 77 28.242 22.558 -14.429 1247 HE1 HIS 77 HE1 HIS 77 27.807 18.395 -13.741 1248 HE2 HIS 77 HE2 HIS 77 29.394 20.343 -13.758 1249 H HIS 78 H HIS 78 23.840 22.075 -17.816 1250 HA HIS 78 HA HIS 78 25.519 20.217 -19.156 1251 HB2 HIS 78 HB2 HIS 78 23.064 20.021 -19.239 1252 HB3 HIS 78 HB3 HIS 78 22.933 21.559 -20.087 1253 HD1 HIS 78 HD1 HIS 78 23.309 21.545 -22.605 1254 HD2 HIS 78 HD2 HIS 78 24.054 17.860 -20.831 1255 HE1 HIS 78 HE1 HIS 78 23.626 19.938 -24.506 1256 HE2 HIS 78 HE2 HIS 78 24.294 17.778 -23.410 1257 H HIS 79 H HIS 79 27.236 20.730 -20.375 1258 HA HIS 79 HA HIS 79 27.327 23.275 -21.899 1259 HB2 HIS 79 HB2 HIS 79 29.846 22.952 -21.812 1260 HB3 HIS 79 HB3 HIS 79 29.081 23.231 -20.252 1261 HD1 HIS 79 HD1 HIS 79 30.733 20.503 -22.272 1262 HD2 HIS 79 HD2 HIS 79 29.399 21.184 -18.397 1263 HE1 HIS 79 HE1 HIS 79 31.597 18.578 -20.914 1264 HE2 HIS 79 HE2 HIS 79 30.739 18.982 -18.586 1265 H HIS 80 H HIS 80 29.335 22.742 -23.713 1266 HA HIS 80 HA HIS 80 27.878 21.075 -25.648 1267 HB2 HIS 80 HB2 HIS 80 28.533 23.493 -26.114 1268 HB3 HIS 80 HB3 HIS 80 30.214 22.978 -26.152 1269 HD1 HIS 80 HD1 HIS 80 31.005 21.685 -28.245 1270 HD2 HIS 80 HD2 HIS 80 26.991 22.756 -28.371 1271 HE1 HIS 80 HE1 HIS 80 30.277 21.281 -30.610 1272 HE2 HIS 80 HE2 HIS 80 27.911 22.105 -30.701 1273 H HIS 81 H HIS 81 28.997 19.628 -27.105 1274 HA HIS 81 HA HIS 81 30.980 17.858 -26.116 1275 HB2 HIS 81 HB2 HIS 81 29.363 17.139 -27.803 1276 HB3 HIS 81 HB3 HIS 81 29.901 18.381 -28.922 1277 HD1 HIS 81 HD1 HIS 81 30.811 14.976 -27.624 1278 HD2 HIS 81 HD2 HIS 81 32.177 17.705 -30.447 1279 HE1 HIS 81 HE1 HIS 81 32.464 13.718 -29.038 1280 HE2 HIS 81 HE2 HIS 81 33.367 15.415 -30.653 1281 H HIS 82 H HIS 82 33.089 18.447 -25.748 1282 HA HIS 82 HA HIS 82 34.345 20.675 -27.089 1283 HB2 HIS 82 HB2 HIS 82 36.337 20.153 -25.679 1284 HB3 HIS 82 HB3 HIS 82 34.865 20.325 -24.741 1285 HD1 HIS 82 HD1 HIS 82 33.897 18.154 -23.633 1286 HD2 HIS 82 HD2 HIS 82 37.588 17.652 -25.485 1287 HE1 HIS 82 HE1 HIS 82 34.780 15.965 -22.787 1288 HE2 HIS 82 HE2 HIS 82 37.059 15.738 -23.819
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