NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24085 | 2k0a | 15644 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -1 1H GLY -1 -8.796 -25.581 -5.435 2 H2 GLY -1 2H GLY -1 -8.171 -26.066 -3.932 3 H3 GLY -1 3H GLY -1 -7.432 -24.805 -4.795 4 HA2 GLY -1 1HA GLY -1 -10.256 -24.528 -4.067 5 HA3 GLY -1 2HA GLY -1 -9.039 -24.301 -2.817 6 H GLY 0 H GLY 0 -10.943 -22.552 -4.592 7 HA2 GLY 0 2HA GLY 0 -10.858 -20.277 -5.063 8 HA3 GLY 0 1HA GLY 0 -9.140 -20.288 -4.687 9 H SER 1 H SER 1 -8.401 -19.225 -6.470 10 HA SER 1 HA SER 1 -7.793 -18.834 -8.624 11 HB2 SER 1 1HB SER 1 -8.080 -21.831 -8.942 12 HB3 SER 1 2HB SER 1 -7.070 -20.752 -9.907 13 HG SER 1 HG SER 1 -6.083 -20.229 -7.743 14 H SER 2 H SER 2 -10.431 -18.377 -8.131 15 HA SER 2 HA SER 2 -11.611 -18.539 -10.715 16 HB2 SER 2 1HB SER 2 -13.677 -19.806 -9.778 17 HB3 SER 2 2HB SER 2 -12.258 -20.746 -10.241 18 HG SER 2 HG SER 2 -11.656 -20.828 -8.063 19 H ARG 3 H ARG 3 -14.154 -18.686 -8.598 20 HA ARG 3 HA ARG 3 -14.398 -15.789 -8.626 21 HB2 ARG 3 1HB ARG 3 -16.370 -17.905 -7.750 22 HB3 ARG 3 2HB ARG 3 -16.718 -16.192 -7.943 23 HG2 ARG 3 1HG ARG 3 -16.365 -16.314 -10.302 24 HG3 ARG 3 2HG ARG 3 -15.767 -17.969 -10.176 25 HD2 ARG 3 1HD ARG 3 -18.563 -17.026 -9.566 26 HD3 ARG 3 2HD ARG 3 -18.055 -17.939 -10.988 27 HE ARG 3 HE ARG 3 -17.373 -19.308 -8.586 28 HH11 ARG 3 2HH1 ARG 3 -19.995 -18.640 -10.806 29 HH12 ARG 3 1HH1 ARG 3 -20.958 -19.992 -10.285 30 HH21 ARG 3 2HH2 ARG 3 -18.624 -21.091 -7.889 31 HH22 ARG 3 1HH2 ARG 3 -20.163 -21.405 -8.641 32 H HIS 4 H HIS 4 -12.422 -16.319 -7.015 33 HA HIS 4 HA HIS 4 -13.385 -15.293 -4.492 34 HB2 HIS 4 1HB HIS 4 -13.285 -17.842 -4.237 35 HB3 HIS 4 2HB HIS 4 -11.546 -17.702 -4.457 36 HD1 HIS 4 HD1 HIS 4 -11.826 -18.886 -1.959 37 HD2 HIS 4 HD2 HIS 4 -12.605 -14.811 -2.291 38 HE1 HIS 4 HE1 HIS 4 -11.657 -17.967 0.375 39 HE2 HIS 4 HE2 HIS 4 -12.325 -15.549 0.179 40 H GLN 5 H GLN 5 -12.104 -14.283 -6.715 41 HA GLN 5 HA GLN 5 -9.272 -14.324 -6.442 42 HB2 GLN 5 1HB GLN 5 -10.715 -14.074 -8.567 43 HB3 GLN 5 2HB GLN 5 -10.840 -12.380 -8.117 44 HG2 GLN 5 1HG GLN 5 -8.455 -12.119 -8.259 45 HG3 GLN 5 2HG GLN 5 -8.258 -13.843 -8.577 46 HE21 GLN 5 1HE2 GLN 5 -8.033 -11.032 -10.041 47 HE22 GLN 5 2HE2 GLN 5 -8.591 -11.429 -11.633 48 H PHE 6 H PHE 6 -11.843 -12.129 -5.585 49 HA PHE 6 HA PHE 6 -11.924 -10.337 -4.159 50 HB2 PHE 6 1HB PHE 6 -10.136 -11.295 -2.778 51 HB3 PHE 6 2HB PHE 6 -8.926 -10.658 -3.883 52 HD1 PHE 6 HD2 PHE 6 -11.966 -9.070 -2.420 53 HD2 PHE 6 HD1 PHE 6 -7.722 -9.076 -2.724 54 HE1 PHE 6 HE2 PHE 6 -11.874 -6.985 -1.116 55 HE2 PHE 6 HE1 PHE 6 -7.623 -6.991 -1.422 56 HZ PHE 6 HZ PHE 6 -9.701 -5.941 -0.619 57 H ASP 7 H ASP 7 -9.824 -10.627 -6.829 58 HA ASP 7 HA ASP 7 -9.289 -9.287 -8.568 59 HB2 ASP 7 1HB ASP 7 -11.655 -7.722 -7.539 60 HB3 ASP 7 2HB ASP 7 -10.829 -7.360 -9.048 61 H LEU 8 H LEU 8 -7.828 -8.949 -6.237 62 HA LEU 8 HA LEU 8 -7.440 -6.190 -5.664 63 HB2 LEU 8 1HB LEU 8 -5.686 -6.891 -4.245 64 HB3 LEU 8 2HB LEU 8 -7.065 -7.937 -4.031 65 HG LEU 8 HG LEU 8 -5.519 -9.545 -4.022 66 HD11 LEU 8 1HD1 LEU 8 -5.935 -9.073 -6.914 67 HD12 LEU 8 2HD1 LEU 8 -4.702 -10.228 -6.410 68 HD13 LEU 8 3HD1 LEU 8 -6.380 -10.457 -5.915 69 HD21 LEU 8 3HD2 LEU 8 -3.334 -8.970 -5.527 70 HD22 LEU 8 1HD2 LEU 8 -3.907 -7.376 -5.016 71 HD23 LEU 8 2HD2 LEU 8 -3.527 -8.611 -3.807 72 H ILE 9 H ILE 9 -7.370 -6.136 -8.298 73 HA ILE 9 HA ILE 9 -4.850 -6.495 -9.515 74 HB ILE 9 HB ILE 9 -7.177 -4.712 -10.234 75 HG12 ILE 9 1HG1 ILE 9 -7.331 -6.203 -12.187 76 HG13 ILE 9 2HG1 ILE 9 -5.932 -7.103 -11.611 77 HG21 ILE 9 1HG2 ILE 9 -4.772 -3.840 -10.860 78 HG22 ILE 9 2HG2 ILE 9 -4.914 -5.047 -12.138 79 HG23 ILE 9 3HG2 ILE 9 -6.103 -3.752 -12.013 80 HD11 ILE 9 3HD1 ILE 9 -8.629 -6.904 -10.312 81 HD12 ILE 9 1HD1 ILE 9 -7.898 -8.323 -11.069 82 HD13 ILE 9 2HD1 ILE 9 -7.215 -7.669 -9.576 83 H MET 10 H MET 10 -3.202 -5.741 -8.410 84 HA MET 10 HA MET 10 -3.173 -2.864 -7.818 85 HB2 MET 10 1HB MET 10 -1.220 -3.553 -6.249 86 HB3 MET 10 2HB MET 10 -2.882 -3.805 -5.745 87 HG2 MET 10 1HG MET 10 -2.742 -6.144 -6.317 88 HG3 MET 10 2HG MET 10 -1.109 -5.914 -6.944 89 HE1 MET 10 3HE MET 10 -1.928 -3.874 -3.556 90 HE2 MET 10 1HE MET 10 -3.260 -4.962 -3.952 91 HE3 MET 10 2HE MET 10 -2.251 -5.281 -2.540 92 H CYS 11 H CYS 11 -1.229 -1.741 -7.988 93 HA CYS 11 HA CYS 11 -0.255 -1.704 -10.527 94 HB2 CYS 11 1HB CYS 11 -0.229 0.144 -8.906 95 HB3 CYS 11 2HB CYS 11 1.072 -0.646 -8.032 96 H LEU 12 H LEU 12 1.437 -3.004 -7.682 97 HA LEU 12 HA LEU 12 3.216 -4.353 -7.423 98 HB2 LEU 12 1HB LEU 12 1.275 -5.479 -9.207 99 HB3 LEU 12 2HB LEU 12 2.868 -6.145 -9.526 100 HG LEU 12 HG LEU 12 3.079 -6.968 -7.336 101 HD11 LEU 12 1HD1 LEU 12 2.406 -5.424 -5.824 102 HD12 LEU 12 2HD1 LEU 12 0.930 -5.040 -6.711 103 HD13 LEU 12 3HD1 LEU 12 1.025 -6.520 -5.756 104 HD21 LEU 12 3HD2 LEU 12 1.520 -8.184 -8.870 105 HD22 LEU 12 1HD2 LEU 12 1.267 -8.488 -7.151 106 HD23 LEU 12 2HD2 LEU 12 0.190 -7.395 -8.022 107 H LYS 13 H LYS 13 4.165 -2.138 -8.811 108 HA LYS 13 HA LYS 13 6.075 -3.316 -10.706 109 HB2 LYS 13 1HB LYS 13 5.713 -0.431 -9.912 110 HB3 LYS 13 2HB LYS 13 6.819 -1.036 -11.136 111 HG2 LYS 13 1HG LYS 13 4.808 -1.924 -12.349 112 HG3 LYS 13 2HG LYS 13 3.826 -0.985 -11.220 113 HD2 LYS 13 1HD LYS 13 5.327 0.981 -11.873 114 HD3 LYS 13 2HD LYS 13 5.787 -0.019 -13.253 115 HE2 LYS 13 1HE LYS 13 2.961 0.671 -12.518 116 HE3 LYS 13 2HE LYS 13 3.935 1.543 -13.680 117 HZ1 LYS 13 3HZ LYS 13 4.142 -1.041 -14.498 118 HZ2 LYS 13 1HZ LYS 13 3.119 0.131 -15.178 119 HZ3 LYS 13 2HZ LYS 13 2.528 -0.929 -13.991 120 H GLN 14 H GLN 14 8.094 -1.353 -10.112 121 HA GLN 14 HA GLN 14 9.315 -2.744 -7.860 122 HB2 GLN 14 1HB GLN 14 10.660 -2.470 -9.836 123 HB3 GLN 14 2HB GLN 14 10.370 -0.736 -9.852 124 HG2 GLN 14 1HG GLN 14 12.564 -1.120 -9.047 125 HG3 GLN 14 2HG GLN 14 11.568 -0.570 -7.702 126 HE21 GLN 14 1HE2 GLN 14 11.967 -1.595 -5.890 127 HE22 GLN 14 2HE2 GLN 14 12.453 -3.251 -5.733 128 HA PRO 15 HA PRO 15 7.822 0.496 -5.112 129 HB2 PRO 15 1HB PRO 15 9.585 -0.969 -3.233 130 HB3 PRO 15 2HB PRO 15 7.882 -0.533 -3.072 131 HG2 PRO 15 1HG PRO 15 8.589 -3.048 -3.566 132 HG3 PRO 15 2HG PRO 15 7.160 -2.337 -4.343 133 HD2 PRO 15 1HD PRO 15 9.893 -2.817 -5.472 134 HD3 PRO 15 2HD PRO 15 8.303 -3.046 -6.230 135 H GLY 16 H GLY 16 8.640 2.424 -4.524 136 HA2 GLY 16 2HA GLY 16 11.529 2.840 -4.867 137 HA3 GLY 16 1HA GLY 16 10.300 4.097 -4.889 138 H VAL 17 H VAL 17 11.032 5.411 -3.303 139 HA VAL 17 HA VAL 17 11.614 4.236 -0.681 140 HB VAL 17 HB VAL 17 12.521 6.431 -0.054 141 HG11 VAL 17 1HG1 VAL 17 14.506 5.868 -0.884 142 HG12 VAL 17 2HG1 VAL 17 13.658 4.573 -1.731 143 HG13 VAL 17 3HG1 VAL 17 13.974 6.103 -2.549 144 HG21 VAL 17 3HG2 VAL 17 12.583 8.294 -1.434 145 HG22 VAL 17 1HG2 VAL 17 12.277 7.351 -2.893 146 HG23 VAL 17 2HG2 VAL 17 10.973 7.643 -1.742 147 H GLN 18 H GLN 18 9.337 6.252 -2.359 148 HA GLN 18 HA GLN 18 8.146 7.416 -0.064 149 HB2 GLN 18 1HB GLN 18 7.255 7.100 -2.921 150 HB3 GLN 18 2HB GLN 18 6.217 7.843 -1.716 151 HG2 GLN 18 1HG GLN 18 8.147 9.415 -1.233 152 HG3 GLN 18 2HG GLN 18 8.884 8.784 -2.705 153 HE21 GLN 18 1HE2 GLN 18 8.696 10.272 -4.214 154 HE22 GLN 18 2HE2 GLN 18 7.257 11.160 -4.593 155 H THR 19 H THR 19 6.802 6.610 1.356 156 HA THR 19 HA THR 19 5.980 3.863 1.149 157 HB THR 19 HB THR 19 5.095 5.680 3.363 158 HG1 THR 19 HG1 THR 19 7.086 5.862 4.147 159 HG21 THR 19 1HG2 THR 19 5.530 3.678 4.716 160 HG22 THR 19 2HG2 THR 19 6.094 2.831 3.275 161 HG23 THR 19 3HG2 THR 19 4.408 3.336 3.399 162 H GLY 20 H GLY 20 3.896 3.065 1.023 163 HA2 GLY 20 2HA GLY 20 1.987 4.719 -0.326 164 HA3 GLY 20 1HA GLY 20 1.751 3.050 0.168 165 H LEU 21 H LEU 21 0.656 6.101 0.592 166 HA LEU 21 HA LEU 21 0.045 5.886 3.416 167 HB2 LEU 21 1HB LEU 21 -0.418 8.031 1.361 168 HB3 LEU 21 2HB LEU 21 -1.055 8.133 2.991 169 HG LEU 21 HG LEU 21 1.882 7.870 2.353 170 HD11 LEU 21 1HD1 LEU 21 1.594 9.982 1.599 171 HD12 LEU 21 2HD1 LEU 21 0.083 10.207 2.481 172 HD13 LEU 21 3HD1 LEU 21 1.624 10.354 3.323 173 HD21 LEU 21 3HD2 LEU 21 0.856 7.154 4.627 174 HD22 LEU 21 1HD2 LEU 21 2.283 8.191 4.610 175 HD23 LEU 21 2HD2 LEU 21 0.688 8.887 4.899 176 H LEU 22 H LEU 22 -1.954 5.701 4.300 177 HA LEU 22 HA LEU 22 -4.171 4.993 2.489 178 HB2 LEU 22 1HB LEU 22 -3.690 4.233 5.373 179 HB3 LEU 22 2HB LEU 22 -5.160 3.873 4.490 180 HG LEU 22 HG LEU 22 -2.409 2.794 3.916 181 HD11 LEU 22 1HD1 LEU 22 -4.476 0.855 4.342 182 HD12 LEU 22 2HD1 LEU 22 -2.966 1.086 5.223 183 HD13 LEU 22 3HD1 LEU 22 -4.413 1.972 5.705 184 HD21 LEU 22 3HD2 LEU 22 -4.679 3.119 2.201 185 HD22 LEU 22 1HD2 LEU 22 -3.100 2.418 1.842 186 HD23 LEU 22 2HD2 LEU 22 -4.390 1.404 2.489 187 H CYS 23 H CYS 23 -6.035 6.109 2.629 188 HA CYS 23 HA CYS 23 -6.187 8.474 4.279 189 HB2 CYS 23 1HB CYS 23 -8.181 8.977 3.164 190 HB3 CYS 23 2HB CYS 23 -7.272 8.111 1.932 191 H GLU 24 H GLU 24 -7.761 8.702 6.006 192 HA GLU 24 HA GLU 24 -7.689 6.634 7.847 193 HB2 GLU 24 1HB GLU 24 -9.734 8.855 7.723 194 HB3 GLU 24 2HB GLU 24 -9.343 7.888 9.140 195 HG2 GLU 24 1HG GLU 24 -7.045 8.756 9.064 196 HG3 GLU 24 2HG GLU 24 -7.500 9.780 7.703 197 H LYS 25 H LYS 25 -9.918 7.148 5.282 198 HA LYS 25 HA LYS 25 -12.037 5.524 6.261 199 HB2 LYS 25 1HB LYS 25 -11.432 6.242 3.391 200 HB3 LYS 25 2HB LYS 25 -12.991 5.787 4.069 201 HG2 LYS 25 1HG LYS 25 -13.110 7.815 5.337 202 HG3 LYS 25 2HG LYS 25 -11.460 8.247 4.886 203 HD2 LYS 25 1HD LYS 25 -12.963 9.540 3.549 204 HD3 LYS 25 2HD LYS 25 -12.211 8.330 2.509 205 HE2 LYS 25 1HE LYS 25 -14.547 8.433 1.989 206 HE3 LYS 25 2HE LYS 25 -14.220 6.907 2.807 207 HZ1 LYS 25 3HZ LYS 25 -16.251 8.031 3.583 208 HZ2 LYS 25 1HZ LYS 25 -15.308 9.324 4.150 209 HZ3 LYS 25 2HZ LYS 25 -15.127 7.778 4.830 210 H CYS 26 H CYS 26 -9.017 4.790 4.718 211 HA CYS 26 HA CYS 26 -9.897 1.982 4.470 212 HB2 CYS 26 1HB CYS 26 -7.582 3.188 2.943 213 HB3 CYS 26 2HB CYS 26 -8.300 1.599 2.721 214 H ASP 27 H ASP 27 -8.622 3.836 6.574 215 HA ASP 27 HA ASP 27 -5.975 2.955 6.958 216 HB2 ASP 27 1HB ASP 27 -6.729 5.031 7.931 217 HB3 ASP 27 2HB ASP 27 -7.955 4.193 8.874 218 H GLY 28 H GLY 28 -5.171 1.204 7.860 219 HA2 GLY 28 2HA GLY 28 -5.114 -0.552 9.481 220 HA3 GLY 28 1HA GLY 28 -6.864 -0.449 9.608 221 H LYS 29 H LYS 29 -6.901 -0.296 6.563 222 HA LYS 29 HA LYS 29 -7.315 -3.093 6.131 223 HB2 LYS 29 1HB LYS 29 -7.249 -0.804 4.158 224 HB3 LYS 29 2HB LYS 29 -7.777 -2.434 3.791 225 HG2 LYS 29 1HG LYS 29 -9.633 -2.230 5.285 226 HG3 LYS 29 2HG LYS 29 -9.084 -0.630 5.796 227 HD2 LYS 29 1HD LYS 29 -9.506 0.298 3.663 228 HD3 LYS 29 2HD LYS 29 -9.706 -1.297 2.930 229 HE2 LYS 29 1HE LYS 29 -11.488 -0.419 5.146 230 HE3 LYS 29 2HE LYS 29 -11.800 0.130 3.501 231 HZ1 LYS 29 3HZ LYS 29 -12.837 -2.079 4.457 232 HZ2 LYS 29 1HZ LYS 29 -11.363 -2.732 3.927 233 HZ3 LYS 29 2HZ LYS 29 -12.377 -1.944 2.826 234 H CYS 30 H CYS 30 -6.026 -4.555 5.205 235 HA CYS 30 HA CYS 30 -3.300 -3.815 4.487 236 HB2 CYS 30 1HB CYS 30 -3.517 -5.870 5.699 237 HB3 CYS 30 2HB CYS 30 -4.787 -6.441 4.627 238 HA PRO 31 HA PRO 31 -4.664 -2.776 0.391 239 HB2 PRO 31 1HB PRO 31 -1.835 -3.439 -0.274 240 HB3 PRO 31 2HB PRO 31 -2.778 -2.000 -0.677 241 HG2 PRO 31 1HG PRO 31 -0.946 -1.939 1.258 242 HG3 PRO 31 2HG PRO 31 -2.475 -1.052 1.412 243 HD2 PRO 31 1HD PRO 31 -1.603 -3.574 2.736 244 HD3 PRO 31 2HD PRO 31 -2.668 -2.288 3.339 245 H ILE 32 H ILE 32 -2.713 -5.628 0.988 246 HA ILE 32 HA ILE 32 -3.188 -6.824 -1.540 247 HB ILE 32 HB ILE 32 -2.255 -8.239 0.952 248 HG12 ILE 32 1HG1 ILE 32 -1.004 -6.050 0.281 249 HG13 ILE 32 2HG1 ILE 32 -0.065 -7.498 0.617 250 HG21 ILE 32 1HG2 ILE 32 -2.362 -8.869 -1.927 251 HG22 ILE 32 2HG2 ILE 32 -0.884 -9.332 -1.084 252 HG23 ILE 32 3HG2 ILE 32 -2.443 -9.937 -0.526 253 HD11 ILE 32 3HD1 ILE 32 -0.872 -7.015 -2.189 254 HD12 ILE 32 1HD1 ILE 32 0.372 -5.974 -1.497 255 HD13 ILE 32 2HD1 ILE 32 0.606 -7.723 -1.535 256 H CYS 33 H CYS 33 -4.819 -7.102 1.597 257 HA CYS 33 HA CYS 33 -6.695 -8.981 0.341 258 HB2 CYS 33 1HB CYS 33 -6.641 -10.472 2.222 259 HB3 CYS 33 2HB CYS 33 -4.992 -10.222 1.661 260 H ASP 34 H ASP 34 -6.176 -6.608 2.885 261 HA ASP 34 HA ASP 34 -7.581 -5.302 4.095 262 HB2 ASP 34 1HB ASP 34 -8.626 -4.699 1.996 263 HB3 ASP 34 2HB ASP 34 -9.585 -6.173 2.001 264 H SER 35 H SER 35 -7.383 -6.672 5.934 265 HA SER 35 HA SER 35 -9.895 -7.872 6.671 266 HB2 SER 35 1HB SER 35 -8.630 -9.660 5.448 267 HB3 SER 35 2HB SER 35 -7.377 -9.551 6.681 268 HG SER 35 HG SER 35 -8.609 -11.136 7.429 269 H TYR 36 H TYR 36 -8.162 -5.705 7.504 270 HA TYR 36 HA TYR 36 -7.151 -4.780 9.375 271 HB2 TYR 36 1HB TYR 36 -9.862 -5.812 10.068 272 HB3 TYR 36 2HB TYR 36 -8.885 -5.089 11.341 273 HD1 TYR 36 HD2 TYR 36 -9.816 -4.313 7.791 274 HD2 TYR 36 HD1 TYR 36 -9.250 -2.869 11.752 275 HE1 TYR 36 HE2 TYR 36 -10.502 -2.067 7.065 276 HE2 TYR 36 HE1 TYR 36 -9.932 -0.618 11.034 277 HH TYR 36 HH TYR 36 -9.832 0.617 8.562 278 H VAL 37 H VAL 37 -5.708 -6.970 9.077 279 HA VAL 37 HA VAL 37 -5.653 -8.237 11.735 280 HB VAL 37 HB VAL 37 -6.257 -9.733 9.810 281 HG11 VAL 37 1HG1 VAL 37 -5.081 -9.772 7.949 282 HG12 VAL 37 2HG1 VAL 37 -4.016 -8.532 8.612 283 HG13 VAL 37 3HG1 VAL 37 -3.630 -10.238 8.838 284 HG21 VAL 37 3HG2 VAL 37 -5.284 -11.535 10.775 285 HG22 VAL 37 1HG2 VAL 37 -3.692 -10.781 10.852 286 HG23 VAL 37 2HG2 VAL 37 -4.937 -10.334 12.018 287 H ARG 38 H ARG 38 -3.490 -8.959 12.436 288 HA ARG 38 HA ARG 38 -1.815 -6.951 12.923 289 HB2 ARG 38 1HB ARG 38 -0.016 -8.632 13.354 290 HB3 ARG 38 2HB ARG 38 -1.566 -9.027 14.081 291 HG2 ARG 38 1HG ARG 38 -2.016 -10.623 12.302 292 HG3 ARG 38 2HG ARG 38 -0.491 -10.198 11.521 293 HD2 ARG 38 1HD ARG 38 -0.335 -12.282 12.831 294 HD3 ARG 38 2HD ARG 38 0.757 -11.027 13.414 295 HE ARG 38 HE ARG 38 -0.314 -11.100 15.415 296 HH11 ARG 38 2HH1 ARG 38 -2.413 -12.594 13.039 297 HH12 ARG 38 1HH1 ARG 38 -3.706 -12.861 14.165 298 HH21 ARG 38 2HH2 ARG 38 -2.012 -11.456 16.898 299 HH22 ARG 38 1HH2 ARG 38 -3.473 -12.235 16.359 300 HA PRO 39 HA PRO 39 0.237 -5.940 9.114 301 HB2 PRO 39 1HB PRO 39 1.822 -4.066 10.657 302 HB3 PRO 39 2HB PRO 39 0.530 -3.731 9.505 303 HG2 PRO 39 1HG PRO 39 0.296 -3.271 12.172 304 HG3 PRO 39 2HG PRO 39 -1.081 -3.664 11.125 305 HD2 PRO 39 1HD PRO 39 0.466 -5.450 12.971 306 HD3 PRO 39 2HD PRO 39 -1.289 -5.355 12.700 307 H LYS 40 H LYS 40 2.884 -4.878 9.227 308 HA LYS 40 HA LYS 40 4.691 -6.424 10.679 309 HB2 LYS 40 1HB LYS 40 3.871 -8.297 9.312 310 HB3 LYS 40 2HB LYS 40 4.292 -7.418 7.849 311 HG2 LYS 40 1HG LYS 40 6.633 -7.507 8.422 312 HG3 LYS 40 2HG LYS 40 6.255 -8.287 9.958 313 HD2 LYS 40 1HD LYS 40 5.391 -10.228 8.797 314 HD3 LYS 40 2HD LYS 40 5.642 -9.439 7.237 315 HE2 LYS 40 1HE LYS 40 7.806 -10.130 9.220 316 HE3 LYS 40 2HE LYS 40 7.420 -11.053 7.768 317 HZ1 LYS 40 3HZ LYS 40 7.809 -8.750 6.623 318 HZ2 LYS 40 1HZ LYS 40 9.121 -9.747 7.022 319 HZ3 LYS 40 2HZ LYS 40 8.723 -8.430 8.012 320 H ARG 41 H ARG 41 4.269 -5.009 7.426 321 HA ARG 41 HA ARG 41 6.618 -3.328 7.905 322 HB2 ARG 41 1HB ARG 41 7.427 -5.448 6.941 323 HB3 ARG 41 2HB ARG 41 6.349 -5.236 5.573 324 HG2 ARG 41 1HG ARG 41 8.649 -4.654 5.015 325 HG3 ARG 41 2HG ARG 41 7.577 -3.260 4.878 326 HD2 ARG 41 1HD ARG 41 9.781 -2.791 5.962 327 HD3 ARG 41 2HD ARG 41 8.372 -2.346 6.920 328 HE ARG 41 HE ARG 41 9.083 -4.913 7.691 329 HH11 ARG 41 2HH1 ARG 41 10.603 -1.761 7.644 330 HH12 ARG 41 1HH1 ARG 41 11.476 -2.015 9.127 331 HH21 ARG 41 2HH2 ARG 41 10.222 -5.253 9.647 332 HH22 ARG 41 1HH2 ARG 41 11.224 -3.986 10.292 333 H LYS 42 H LYS 42 6.531 -1.384 6.946 334 HA LYS 42 HA LYS 42 4.130 -0.431 5.852 335 HB2 LYS 42 1HB LYS 42 6.920 0.720 5.790 336 HB3 LYS 42 2HB LYS 42 5.509 1.578 5.188 337 HG2 LYS 42 1HG LYS 42 4.513 1.280 7.490 338 HG3 LYS 42 2HG LYS 42 6.118 0.756 8.007 339 HD2 LYS 42 1HD LYS 42 7.069 2.877 7.352 340 HD3 LYS 42 2HD LYS 42 5.526 3.398 6.669 341 HE2 LYS 42 1HE LYS 42 4.542 3.142 8.962 342 HE3 LYS 42 2HE LYS 42 6.178 2.887 9.565 343 HZ1 LYS 42 3HZ LYS 42 5.299 5.209 9.738 344 HZ2 LYS 42 1HZ LYS 42 5.378 5.308 8.045 345 HZ3 LYS 42 2HZ LYS 42 6.794 5.063 8.955 346 H VAL 43 H VAL 43 3.379 -0.210 3.859 347 HA VAL 43 HA VAL 43 4.568 -1.714 1.740 348 HB VAL 43 HB VAL 43 2.645 -1.096 0.427 349 HG11 VAL 43 1HG1 VAL 43 1.600 -1.451 3.219 350 HG12 VAL 43 2HG1 VAL 43 0.938 -2.075 1.707 351 HG13 VAL 43 3HG1 VAL 43 2.437 -2.741 2.355 352 HG21 VAL 43 3HG2 VAL 43 0.969 0.498 1.207 353 HG22 VAL 43 1HG2 VAL 43 1.968 0.869 2.613 354 HG23 VAL 43 2HG2 VAL 43 2.536 1.276 0.993 355 H ARG 44 H ARG 44 5.748 -1.017 0.021 356 HA ARG 44 HA ARG 44 6.296 1.873 -0.100 357 HB2 ARG 44 1HB ARG 44 7.973 -0.368 -1.247 358 HB3 ARG 44 2HB ARG 44 8.417 1.330 -1.110 359 HG2 ARG 44 1HG ARG 44 8.430 1.165 1.302 360 HG3 ARG 44 2HG ARG 44 7.904 -0.518 1.211 361 HD2 ARG 44 1HD ARG 44 10.203 -0.668 1.555 362 HD3 ARG 44 2HD ARG 44 10.026 -0.891 -0.184 363 HE ARG 44 HE ARG 44 11.357 0.918 -0.445 364 HH11 ARG 44 2HH1 ARG 44 9.702 1.282 2.628 365 HH12 ARG 44 1HH1 ARG 44 10.458 2.803 2.998 366 HH21 ARG 44 2HH2 ARG 44 12.409 2.864 0.073 367 HH22 ARG 44 1HH2 ARG 44 12.019 3.690 1.557 368 H VAL 45 H VAL 45 5.470 2.942 -1.780 369 HA VAL 45 HA VAL 45 4.233 1.440 -3.927 370 HB VAL 45 HB VAL 45 3.490 3.639 -4.795 371 HG11 VAL 45 1HG1 VAL 45 2.570 3.990 -2.096 372 HG12 VAL 45 2HG1 VAL 45 1.702 3.392 -3.511 373 HG13 VAL 45 3HG1 VAL 45 2.634 2.277 -2.512 374 HG21 VAL 45 3HG2 VAL 45 3.976 5.669 -3.792 375 HG22 VAL 45 1HG2 VAL 45 4.492 4.915 -2.283 376 HG23 VAL 45 2HG2 VAL 45 5.522 4.825 -3.711 377 H CYS 46 H CYS 46 4.832 1.471 -6.053 378 HA CYS 46 HA CYS 46 7.568 1.535 -6.568 379 HB2 CYS 46 1HB CYS 46 7.062 0.923 -8.765 380 HB3 CYS 46 2HB CYS 46 5.678 0.326 -7.860 381 H GLU 47 H GLU 47 8.844 2.935 -7.786 382 HA GLU 47 HA GLU 47 8.593 5.636 -7.228 383 HB2 GLU 47 1HB GLU 47 10.205 4.128 -9.257 384 HB3 GLU 47 2HB GLU 47 10.279 5.884 -9.170 385 HG2 GLU 47 1HG GLU 47 11.071 5.816 -6.934 386 HG3 GLU 47 2HG GLU 47 10.799 4.078 -6.829 387 H ASN 48 H ASN 48 7.457 3.825 -10.007 388 HA ASN 48 HA ASN 48 6.786 5.897 -11.745 389 HB2 ASN 48 1HB ASN 48 5.655 3.166 -11.257 390 HB3 ASN 48 2HB ASN 48 4.819 4.264 -12.347 391 HD21 ASN 48 1HD2 ASN 48 5.225 3.713 -14.338 392 HD22 ASN 48 2HD2 ASN 48 6.774 3.283 -14.984 393 H CYS 49 H CYS 49 5.126 4.712 -8.894 394 HA CYS 49 HA CYS 49 2.848 6.462 -9.292 395 HB2 CYS 49 1HB CYS 49 3.615 4.530 -7.106 396 HB3 CYS 49 2HB CYS 49 2.229 5.605 -6.964 397 H SER 50 H SER 50 5.859 6.423 -7.501 398 HA SER 50 HA SER 50 5.139 8.399 -5.594 399 HB2 SER 50 1HB SER 50 7.946 7.825 -6.534 400 HB3 SER 50 2HB SER 50 7.426 8.418 -4.964 401 HG SER 50 HG SER 50 6.183 6.166 -5.240 402 H PHE 51 H PHE 51 6.974 8.481 -8.638 403 HA PHE 51 HA PHE 51 6.752 11.400 -8.606 404 HB2 PHE 51 1HB PHE 51 8.286 11.329 -10.537 405 HB3 PHE 51 2HB PHE 51 8.969 10.630 -9.091 406 HD1 PHE 51 HD1 PHE 51 6.915 9.356 -11.964 407 HD2 PHE 51 HD2 PHE 51 10.376 8.899 -9.528 408 HE1 PHE 51 HE1 PHE 51 7.565 7.374 -13.267 409 HE2 PHE 51 HE2 PHE 51 11.024 6.913 -10.824 410 HZ PHE 51 HZ PHE 51 9.622 6.150 -12.697 411 H GLY 52 H GLY 52 4.450 9.641 -9.040 412 HA2 GLY 52 2HA GLY 52 3.736 10.605 -11.739 413 HA3 GLY 52 1HA GLY 52 3.266 9.011 -11.173 414 H LYS 53 H LYS 53 3.247 12.016 -9.339 415 HA LYS 53 HA LYS 53 1.621 13.291 -8.429 416 HB2 LYS 53 1HB LYS 53 -0.110 11.987 -10.525 417 HB3 LYS 53 2HB LYS 53 -0.665 13.268 -9.457 418 HG2 LYS 53 1HG LYS 53 1.107 14.738 -10.364 419 HG3 LYS 53 2HG LYS 53 1.543 13.454 -11.495 420 HD2 LYS 53 1HD LYS 53 -0.688 13.525 -12.462 421 HD3 LYS 53 2HD LYS 53 -1.166 14.770 -11.307 422 HE2 LYS 53 1HE LYS 53 0.583 16.248 -12.242 423 HE3 LYS 53 2HE LYS 53 0.947 15.012 -13.446 424 HZ1 LYS 53 3HZ LYS 53 -0.638 16.909 -14.069 425 HZ2 LYS 53 1HZ LYS 53 -1.794 16.068 -13.157 426 HZ3 LYS 53 2HZ LYS 53 -1.071 15.325 -14.502 427 H GLN 54 H GLN 54 0.393 9.990 -8.996 428 HA GLN 54 HA GLN 54 -1.251 10.078 -6.633 429 HB2 GLN 54 1HB GLN 54 -0.521 7.818 -8.489 430 HB3 GLN 54 2HB GLN 54 -1.606 7.641 -7.114 431 HG2 GLN 54 1HG GLN 54 -3.152 8.048 -8.691 432 HG3 GLN 54 2HG GLN 54 -2.755 9.715 -8.273 433 HE21 GLN 54 1HE2 GLN 54 -2.731 10.907 -10.027 434 HE22 GLN 54 2HE2 GLN 54 -2.018 10.468 -11.545 435 H ALA 55 H ALA 55 0.646 10.740 -5.337 436 HA ALA 55 HA ALA 55 2.239 8.416 -4.516 437 HB1 ALA 55 3HB ALA 55 3.159 11.122 -3.836 438 HB2 ALA 55 1HB ALA 55 4.053 9.738 -4.467 439 HB3 ALA 55 2HB ALA 55 3.087 10.737 -5.557 440 H LYS 56 H LYS 56 0.901 11.451 -3.207 441 HA LYS 56 HA LYS 56 1.068 10.444 -0.510 442 HB2 LYS 56 1HB LYS 56 -0.170 13.004 -1.539 443 HB3 LYS 56 2HB LYS 56 0.147 12.616 0.147 444 HG2 LYS 56 1HG LYS 56 2.584 12.404 -0.501 445 HG3 LYS 56 2HG LYS 56 2.136 13.144 -2.038 446 HD2 LYS 56 1HD LYS 56 1.697 14.361 0.688 447 HD3 LYS 56 2HD LYS 56 3.000 14.786 -0.420 448 HE2 LYS 56 1HE LYS 56 1.296 15.476 -2.084 449 HE3 LYS 56 2HE LYS 56 0.043 15.149 -0.886 450 HZ1 LYS 56 3HZ LYS 56 0.328 17.295 -0.353 451 HZ2 LYS 56 1HZ LYS 56 1.846 17.395 -1.102 452 HZ3 LYS 56 2HZ LYS 56 1.713 16.768 0.469 453 H ASN 57 H ASN 57 -1.374 10.767 -2.985 454 HA ASN 57 HA ASN 57 -3.640 10.562 -1.326 455 HB2 ASN 57 1HB ASN 57 -3.518 9.478 -4.137 456 HB3 ASN 57 2HB ASN 57 -4.927 10.076 -3.278 457 HD21 ASN 57 1HD2 ASN 57 -3.067 10.778 -5.737 458 HD22 ASN 57 2HD2 ASN 57 -3.037 12.509 -5.676 459 H CYS 58 H CYS 58 -4.888 8.874 -0.719 460 HA CYS 58 HA CYS 58 -3.759 6.622 0.308 461 HB2 CYS 58 1HB CYS 58 -5.946 7.464 0.925 462 HB3 CYS 58 2HB CYS 58 -6.583 7.061 -0.658 463 H ILE 59 H ILE 59 -3.137 4.720 -0.375 464 HA ILE 59 HA ILE 59 -2.991 4.215 -3.165 465 HB ILE 59 HB ILE 59 -1.847 2.110 -2.495 466 HG12 ILE 59 1HG1 ILE 59 -2.473 3.139 0.281 467 HG13 ILE 59 2HG1 ILE 59 -2.988 1.609 -0.419 468 HG21 ILE 59 1HG2 ILE 59 0.025 3.315 -2.360 469 HG22 ILE 59 2HG2 ILE 59 -1.027 4.732 -2.358 470 HG23 ILE 59 3HG2 ILE 59 -0.464 4.049 -0.832 471 HD11 ILE 59 3HD1 ILE 59 -0.651 2.190 1.078 472 HD12 ILE 59 1HD1 ILE 59 -1.193 0.642 0.419 473 HD13 ILE 59 2HD1 ILE 59 -0.167 1.701 -0.549 474 H ILE 60 H ILE 60 -5.087 3.046 -0.628 475 HA ILE 60 HA ILE 60 -5.988 0.789 -2.122 476 HB ILE 60 HB ILE 60 -7.005 2.043 0.420 477 HG12 ILE 60 1HG1 ILE 60 -5.594 -0.555 -0.233 478 HG13 ILE 60 2HG1 ILE 60 -4.888 0.843 0.570 479 HG21 ILE 60 1HG2 ILE 60 -8.914 0.904 0.317 480 HG22 ILE 60 2HG2 ILE 60 -8.527 0.475 -1.350 481 HG23 ILE 60 3HG2 ILE 60 -8.048 -0.593 -0.031 482 HD11 ILE 60 3HD1 ILE 60 -6.585 -1.294 1.639 483 HD12 ILE 60 1HD1 ILE 60 -5.340 -0.323 2.424 484 HD13 ILE 60 2HD1 ILE 60 -6.964 0.331 2.210 485 H CYS 61 H CYS 61 -7.451 4.012 -1.468 486 HA CYS 61 HA CYS 61 -9.463 3.270 -3.477 487 HB2 CYS 61 1HB CYS 61 -10.957 4.930 -2.548 488 HB3 CYS 61 2HB CYS 61 -10.420 3.837 -1.276 489 H ASN 62 H ASN 62 -6.664 4.548 -3.644 490 HA ASN 62 HA ASN 62 -5.689 6.478 -4.542 491 HB2 ASN 62 1HB ASN 62 -5.745 6.235 -6.987 492 HB3 ASN 62 2HB ASN 62 -5.394 4.753 -6.126 493 HD21 ASN 62 1HD2 ASN 62 -8.711 5.452 -5.999 494 HD22 ASN 62 2HD2 ASN 62 -9.203 4.431 -7.304 495 H LEU 63 H LEU 63 -7.450 7.880 -3.391 496 HA LEU 63 HA LEU 63 -8.333 9.797 -5.386 497 HB2 LEU 63 1HB LEU 63 -10.046 7.823 -4.511 498 HB3 LEU 63 2HB LEU 63 -10.449 9.172 -3.464 499 HG LEU 63 HG LEU 63 -11.946 9.452 -5.191 500 HD11 LEU 63 1HD1 LEU 63 -10.881 11.194 -6.808 501 HD12 LEU 63 2HD1 LEU 63 -11.064 11.571 -5.095 502 HD13 LEU 63 3HD1 LEU 63 -9.496 11.065 -5.722 503 HD21 LEU 63 3HD2 LEU 63 -10.015 9.012 -7.404 504 HD22 LEU 63 1HD2 LEU 63 -10.609 7.610 -6.510 505 HD23 LEU 63 2HD2 LEU 63 -11.747 8.684 -7.327 506 H ASN 64 H ASN 64 -9.088 9.048 -1.998 507 HA ASN 64 HA ASN 64 -8.655 11.788 -1.195 508 HB2 ASN 64 1HB ASN 64 -9.261 9.297 0.418 509 HB3 ASN 64 2HB ASN 64 -9.115 10.907 1.110 510 HD21 ASN 64 1HD2 ASN 64 -10.420 11.323 -1.871 511 HD22 ASN 64 2HD2 ASN 64 -12.095 11.275 -1.464 512 H VAL 65 H VAL 65 -6.912 12.589 -0.082 513 HA VAL 65 HA VAL 65 -4.426 11.392 -0.464 514 HB VAL 65 HB VAL 65 -4.814 13.833 -0.187 515 HG11 VAL 65 1HG1 VAL 65 -5.883 14.540 1.603 516 HG12 VAL 65 2HG1 VAL 65 -5.792 12.935 2.328 517 HG13 VAL 65 3HG1 VAL 65 -4.484 14.090 2.579 518 HG21 VAL 65 3HG2 VAL 65 -2.679 14.262 0.611 519 HG22 VAL 65 1HG2 VAL 65 -2.751 12.959 1.796 520 HG23 VAL 65 2HG2 VAL 65 -2.569 12.583 0.082 521 H GLY 66 H GLY 66 -3.054 10.235 0.817 522 HA2 GLY 66 2HA GLY 66 -4.334 8.740 2.930 523 HA3 GLY 66 1HA GLY 66 -2.746 8.441 2.245 524 H VAL 67 H VAL 67 -3.733 8.615 5.052 525 HA VAL 67 HA VAL 67 -2.023 10.815 5.995 526 HB VAL 67 HB VAL 67 -3.247 10.595 8.160 527 HG11 VAL 67 1HG1 VAL 67 -3.873 12.366 6.696 528 HG12 VAL 67 2HG1 VAL 67 -4.804 11.269 5.673 529 HG13 VAL 67 3HG1 VAL 67 -5.361 11.638 7.304 530 HG21 VAL 67 3HG2 VAL 67 -4.844 9.071 8.550 531 HG22 VAL 67 1HG2 VAL 67 -5.537 9.245 6.937 532 HG23 VAL 67 2HG2 VAL 67 -4.135 8.205 7.188 533 H ASN 68 H ASN 68 -2.779 7.377 6.512 534 HA ASN 68 HA ASN 68 -0.303 7.183 8.105 535 HB2 ASN 68 1HB ASN 68 -2.664 5.290 8.175 536 HB3 ASN 68 2HB ASN 68 -1.239 5.222 9.203 537 HD21 ASN 68 1HD2 ASN 68 -4.229 5.616 9.616 538 HD22 ASN 68 2HD2 ASN 68 -4.313 6.979 10.684 539 H ASP 69 H ASP 69 1.257 5.795 7.464 540 HA ASP 69 HA ASP 69 1.247 4.723 4.831 541 HB2 ASP 69 1HB ASP 69 2.998 3.957 7.188 542 HB3 ASP 69 2HB ASP 69 3.311 3.550 5.508 543 H ALA 70 H ALA 70 0.666 2.790 4.066 544 HA ALA 70 HA ALA 70 -0.913 1.044 5.719 545 HB1 ALA 70 3HB ALA 70 -1.816 0.774 3.692 546 HB2 ALA 70 1HB ALA 70 -0.365 1.355 2.873 547 HB3 ALA 70 2HB ALA 70 -0.475 -0.331 3.386 548 H PHE 71 H PHE 71 -0.453 -1.064 6.284 549 HA PHE 71 HA PHE 71 2.358 -1.889 5.988 550 HB2 PHE 71 1HB PHE 71 0.457 -2.326 8.292 551 HB3 PHE 71 2HB PHE 71 1.914 -3.282 8.078 552 HD1 PHE 71 HD1 PHE 71 0.983 0.346 8.088 553 HD2 PHE 71 HD2 PHE 71 3.674 -2.691 9.364 554 HE1 PHE 71 HE1 PHE 71 2.261 2.018 9.361 555 HE2 PHE 71 HE2 PHE 71 4.962 -1.025 10.634 556 HZ PHE 71 HZ PHE 71 4.252 1.333 10.638 557 H TYR 72 H TYR 72 2.710 -3.883 5.159 558 HA TYR 72 HA TYR 72 0.538 -5.426 4.067 559 HB2 TYR 72 1HB TYR 72 3.436 -6.195 4.513 560 HB3 TYR 72 2HB TYR 72 2.267 -7.136 3.601 561 HD1 TYR 72 HD2 TYR 72 1.183 -5.917 1.554 562 HD2 TYR 72 HD1 TYR 72 4.820 -4.723 3.409 563 HE1 TYR 72 HE2 TYR 72 1.850 -4.766 -0.513 564 HE2 TYR 72 HE1 TYR 72 5.499 -3.570 1.350 565 HH TYR 72 HH TYR 72 3.832 -3.958 -1.632 566 H CYS 73 H CYS 73 -0.619 -6.954 5.125 567 HA CYS 73 HA CYS 73 -0.185 -7.329 7.913 568 HB2 CYS 73 1HB CYS 73 -2.199 -8.470 7.968 569 HB3 CYS 73 2HB CYS 73 -2.423 -7.424 6.573 570 H TRP 74 H TRP 74 0.379 -9.223 9.000 571 HA TRP 74 HA TRP 74 2.627 -10.509 8.121 572 HB2 TRP 74 1HB TRP 74 1.915 -10.480 10.464 573 HB3 TRP 74 2HB TRP 74 0.588 -11.573 10.086 574 HD1 TRP 74 HD1 TRP 74 4.461 -11.631 9.738 575 HE1 TRP 74 HE1 TRP 74 5.267 -14.010 10.298 576 HE3 TRP 74 HE3 TRP 74 -0.070 -13.837 10.568 577 HZ2 TRP 74 HZ2 TRP 74 4.123 -16.498 10.987 578 HZ3 TRP 74 HZ3 TRP 74 -0.129 -16.223 11.166 579 HH2 TRP 74 HH2 TRP 74 1.925 -17.524 11.367 580 H GLU 75 H GLU 75 -0.717 -11.595 7.763 581 HA GLU 75 HA GLU 75 -0.179 -14.188 6.870 582 HB2 GLU 75 1HB GLU 75 -2.526 -12.403 6.215 583 HB3 GLU 75 2HB GLU 75 -2.462 -14.132 5.904 584 HG2 GLU 75 1HG GLU 75 -2.156 -14.495 8.348 585 HG3 GLU 75 2HG GLU 75 -2.413 -12.767 8.584 586 H CYS 76 H CYS 76 -0.600 -11.190 5.001 587 HA CYS 76 HA CYS 76 -0.284 -12.427 2.461 588 HB2 CYS 76 1HB CYS 76 -0.024 -9.577 3.385 589 HB3 CYS 76 2HB CYS 76 0.296 -10.045 1.720 590 H CYS 77 H CYS 77 1.948 -11.023 4.780 591 HA CYS 77 HA CYS 77 4.246 -11.093 3.128 592 HB2 CYS 77 1HB CYS 77 3.983 -11.175 6.140 593 HB3 CYS 77 2HB CYS 77 5.500 -10.940 5.275 594 HG CYS 77 HG CYS 77 4.494 -8.572 3.985 595 H ARG 78 H ARG 78 2.839 -13.391 5.410 596 HA ARG 78 HA ARG 78 4.871 -15.337 5.276 597 HB2 ARG 78 1HB ARG 78 3.154 -15.347 7.024 598 HB3 ARG 78 2HB ARG 78 1.913 -15.672 5.820 599 HG2 ARG 78 1HG ARG 78 2.952 -17.824 5.327 600 HG3 ARG 78 2HG ARG 78 4.199 -17.499 6.530 601 HD2 ARG 78 1HD ARG 78 2.496 -17.414 8.281 602 HD3 ARG 78 2HD ARG 78 1.241 -17.714 7.079 603 HE ARG 78 HE ARG 78 2.945 -19.647 8.301 604 HH11 ARG 78 2HH1 ARG 78 1.045 -18.941 5.449 605 HH12 ARG 78 1HH1 ARG 78 1.077 -20.575 4.858 606 HH21 ARG 78 2HH2 ARG 78 2.980 -21.807 7.547 607 HH22 ARG 78 1HH2 ARG 78 2.196 -22.205 6.042 608 H LEU 79 H LEU 79 1.846 -14.969 3.455 609 HA LEU 79 HA LEU 79 2.196 -17.258 1.822 610 HB2 LEU 79 1HB LEU 79 0.617 -14.734 1.318 611 HB3 LEU 79 2HB LEU 79 0.479 -16.207 0.378 612 HG LEU 79 HG LEU 79 -0.174 -15.964 3.315 613 HD11 LEU 79 1HD1 LEU 79 -2.368 -16.636 1.586 614 HD12 LEU 79 2HD1 LEU 79 -2.222 -15.328 2.760 615 HD13 LEU 79 3HD1 LEU 79 -1.645 -15.099 1.110 616 HD21 LEU 79 3HD2 LEU 79 0.066 -18.232 1.460 617 HD22 LEU 79 1HD2 LEU 79 0.181 -18.183 3.219 618 HD23 LEU 79 2HD2 LEU 79 -1.401 -18.208 2.440 619 H GLY 80 H GLY 80 3.252 -13.935 1.563 620 HA2 GLY 80 2HA GLY 80 5.134 -13.239 0.333 621 HA3 GLY 80 1HA GLY 80 5.027 -14.708 -0.626 622 H LYS 81 H LYS 81 2.460 -12.384 0.068 623 HA LYS 81 HA LYS 81 2.087 -12.010 -2.807 624 HB2 LYS 81 1HB LYS 81 0.412 -11.094 -0.462 625 HB3 LYS 81 2HB LYS 81 0.001 -10.853 -2.153 626 HG2 LYS 81 1HG LYS 81 -0.049 -13.315 -2.443 627 HG3 LYS 81 2HG LYS 81 0.229 -13.485 -0.709 628 HD2 LYS 81 1HD LYS 81 -1.843 -12.332 -0.227 629 HD3 LYS 81 2HD LYS 81 -2.104 -12.026 -1.946 630 HE2 LYS 81 1HE LYS 81 -2.203 -14.464 -2.326 631 HE3 LYS 81 2HE LYS 81 -2.030 -14.721 -0.591 632 HZ1 LYS 81 3HZ LYS 81 -4.152 -14.099 -0.195 633 HZ2 LYS 81 1HZ LYS 81 -4.369 -14.614 -1.794 634 HZ3 LYS 81 2HZ LYS 81 -4.194 -12.959 -1.453 635 H ASP 82 H ASP 82 3.107 -10.381 0.068 636 HA ASP 82 HA ASP 82 3.029 -7.716 -0.886 637 HB2 ASP 82 1HB ASP 82 4.477 -7.191 1.024 638 HB3 ASP 82 2HB ASP 82 3.117 -8.198 1.498 639 H LYS 83 H LYS 83 5.318 -10.292 -1.232 640 HA LYS 83 HA LYS 83 7.589 -8.738 -1.841 641 HB2 LYS 83 1HB LYS 83 8.622 -10.781 -2.561 642 HB3 LYS 83 2HB LYS 83 7.620 -11.147 -1.164 643 HG2 LYS 83 1HG LYS 83 5.866 -11.987 -2.670 644 HG3 LYS 83 2HG LYS 83 6.925 -11.673 -4.045 645 HD2 LYS 83 1HD LYS 83 8.581 -13.226 -3.101 646 HD3 LYS 83 2HD LYS 83 7.484 -13.563 -1.762 647 HE2 LYS 83 1HE LYS 83 5.807 -14.377 -3.388 648 HE3 LYS 83 2HE LYS 83 6.975 -14.119 -4.682 649 HZ1 LYS 83 3HZ LYS 83 8.364 -15.630 -2.929 650 HZ2 LYS 83 1HZ LYS 83 7.549 -16.226 -4.291 651 HZ3 LYS 83 2HZ LYS 83 6.801 -16.263 -2.766 652 H ASP 84 H ASP 84 4.783 -9.166 -3.602 653 HA ASP 84 HA ASP 84 5.839 -9.343 -6.223 654 HB2 ASP 84 1HB ASP 84 3.165 -8.601 -5.100 655 HB3 ASP 84 2HB ASP 84 3.497 -8.374 -6.815 656 H GLY 85 H GLY 85 4.598 -6.535 -4.378 657 HA2 GLY 85 2HA GLY 85 6.506 -4.768 -4.760 658 HA3 GLY 85 1HA GLY 85 5.814 -4.764 -6.371 659 H CYS 86 H CYS 86 4.999 -2.836 -6.521 660 HA CYS 86 HA CYS 86 4.004 -1.150 -4.600 661 HB2 CYS 86 1HB CYS 86 4.669 -0.635 -6.967 662 HB3 CYS 86 2HB CYS 86 3.121 -1.275 -7.488 663 HA PRO 87 HA PRO 87 0.107 -3.204 -3.811 664 HB2 PRO 87 1HB PRO 87 -0.345 -2.185 -1.404 665 HB3 PRO 87 2HB PRO 87 0.990 -3.314 -1.675 666 HG2 PRO 87 1HG PRO 87 1.050 -0.328 -1.460 667 HG3 PRO 87 2HG PRO 87 2.148 -1.522 -0.744 668 HD2 PRO 87 1HD PRO 87 2.654 -0.118 -3.068 669 HD3 PRO 87 2HD PRO 87 3.402 -1.672 -2.647 670 H ARG 88 H ARG 88 0.232 -0.513 -5.313 671 HA ARG 88 HA ARG 88 -1.999 0.958 -4.279 672 HB2 ARG 88 1HB ARG 88 -0.313 1.125 -6.719 673 HB3 ARG 88 2HB ARG 88 -1.914 1.852 -6.781 674 HG2 ARG 88 1HG ARG 88 -1.220 2.974 -4.557 675 HG3 ARG 88 2HG ARG 88 0.420 2.567 -5.068 676 HD2 ARG 88 1HD ARG 88 0.177 3.834 -7.082 677 HD3 ARG 88 2HD ARG 88 -1.540 4.093 -6.770 678 HE ARG 88 HE ARG 88 0.657 5.559 -5.674 679 HH11 ARG 88 2HH1 ARG 88 -2.707 4.679 -5.252 680 HH12 ARG 88 1HH1 ARG 88 -2.981 5.850 -3.996 681 HH21 ARG 88 2HH2 ARG 88 0.294 7.098 -4.020 682 HH22 ARG 88 1HH2 ARG 88 -1.276 7.216 -3.284 683 H ILE 89 H ILE 89 -4.038 0.457 -4.447 684 HA ILE 89 HA ILE 89 -4.927 -1.746 -6.049 685 HB ILE 89 HB ILE 89 -6.374 0.223 -4.285 686 HG12 ILE 89 1HG1 ILE 89 -5.006 -1.467 -3.150 687 HG13 ILE 89 2HG1 ILE 89 -6.719 -1.739 -2.855 688 HG21 ILE 89 1HG2 ILE 89 -8.418 -0.974 -4.611 689 HG22 ILE 89 2HG2 ILE 89 -7.816 -0.467 -6.189 690 HG23 ILE 89 3HG2 ILE 89 -7.623 -2.141 -5.667 691 HD11 ILE 89 3HD1 ILE 89 -4.787 -3.350 -4.439 692 HD12 ILE 89 1HD1 ILE 89 -6.003 -3.868 -3.272 693 HD13 ILE 89 2HD1 ILE 89 -6.492 -3.371 -4.892 694 H LEU 90 H LEU 90 -5.320 -1.610 -8.120 695 HA LEU 90 HA LEU 90 -5.909 0.982 -9.346 696 HB2 LEU 90 1HB LEU 90 -5.307 -1.628 -10.718 697 HB3 LEU 90 2HB LEU 90 -5.249 -0.019 -11.413 698 HG LEU 90 HG LEU 90 -3.386 -1.020 -9.261 699 HD11 LEU 90 1HD1 LEU 90 -2.955 -2.252 -11.234 700 HD12 LEU 90 2HD1 LEU 90 -3.088 -0.808 -12.240 701 HD13 LEU 90 3HD1 LEU 90 -1.728 -0.987 -11.130 702 HD21 LEU 90 3HD2 LEU 90 -2.471 1.025 -9.192 703 HD22 LEU 90 1HD2 LEU 90 -2.630 1.264 -10.932 704 HD23 LEU 90 2HD2 LEU 90 -4.007 1.565 -9.871 705 H ASN 91 H ASN 91 -7.166 -2.210 -8.846 706 HA ASN 91 HA ASN 91 -9.179 -2.362 -10.718 707 HB2 ASN 91 1HB ASN 91 -10.181 -4.074 -9.330 708 HB3 ASN 91 2HB ASN 91 -8.428 -4.231 -9.278 709 HD21 ASN 91 1HD2 ASN 91 -7.439 -4.202 -7.356 710 HD22 ASN 91 2HD2 ASN 91 -8.216 -3.875 -5.848 711 H LEU 92 H LEU 92 -9.140 -0.624 -7.721 712 HA LEU 92 HA LEU 92 -11.945 -0.391 -7.474 713 HB2 LEU 92 1HB LEU 92 -10.140 -0.217 -5.671 714 HB3 LEU 92 2HB LEU 92 -9.946 1.445 -6.199 715 HG LEU 92 HG LEU 92 -12.354 1.838 -5.699 716 HD11 LEU 92 1HD1 LEU 92 -12.391 -0.689 -4.132 717 HD12 LEU 92 2HD1 LEU 92 -13.728 0.255 -4.789 718 HD13 LEU 92 3HD1 LEU 92 -12.748 -0.748 -5.858 719 HD21 LEU 92 3HD2 LEU 92 -10.973 2.614 -4.016 720 HD22 LEU 92 1HD2 LEU 92 -12.039 1.511 -3.145 721 HD23 LEU 92 2HD2 LEU 92 -10.411 0.998 -3.589 722 H GLY 93 H GLY 93 -12.913 0.504 -9.203 723 HA2 GLY 93 2HA GLY 93 -12.170 3.251 -9.974 724 HA3 GLY 93 1HA GLY 93 -13.317 2.216 -10.829 725 H SER 94 H SER 94 -14.718 1.253 -8.660 726 HA SER 94 HA SER 94 -15.671 3.409 -7.013 727 HB2 SER 94 1HB SER 94 -16.988 3.658 -9.152 728 HB3 SER 94 2HB SER 94 -17.621 2.034 -8.890 729 HG SER 94 HG SER 94 -19.125 3.237 -7.939 730 H ASN 95 H ASN 95 -17.695 2.353 -5.720 731 HA ASN 95 HA ASN 95 -18.328 0.801 -4.192 732 HB2 ASN 95 1HB ASN 95 -17.467 -0.914 -6.482 733 HB3 ASN 95 2HB ASN 95 -17.789 -1.687 -4.932 734 HD21 ASN 95 1HD2 ASN 95 -19.684 -2.632 -5.122 735 HD22 ASN 95 2HD2 ASN 95 -21.138 -1.891 -5.714 736 H ARG 96 H ARG 96 -16.574 1.879 -3.007 737 HA ARG 96 HA ARG 96 -13.990 1.079 -2.745 738 HB2 ARG 96 1HB ARG 96 -14.236 1.840 -0.265 739 HB3 ARG 96 2HB ARG 96 -14.428 2.998 -1.568 740 HG2 ARG 96 1HG ARG 96 -16.108 3.413 0.067 741 HG3 ARG 96 2HG ARG 96 -16.901 2.739 -1.350 742 HD2 ARG 96 1HD ARG 96 -16.754 0.497 -0.190 743 HD3 ARG 96 2HD ARG 96 -16.281 1.383 1.257 744 HE ARG 96 HE ARG 96 -18.906 1.110 0.196 745 HH11 ARG 96 2HH1 ARG 96 -16.832 3.262 2.037 746 HH12 ARG 96 1HH1 ARG 96 -18.164 4.135 2.742 747 HH21 ARG 96 2HH2 ARG 96 -20.634 2.240 1.124 748 HH22 ARG 96 1HH2 ARG 96 -20.320 3.562 2.203 749 H LEU 97 H LEU 97 -16.748 -0.580 -1.405 750 HA LEU 97 HA LEU 97 -15.235 -2.941 -1.142 751 HB2 LEU 97 1HB LEU 97 -15.526 -3.367 1.244 752 HB3 LEU 97 2HB LEU 97 -14.507 -1.975 0.961 753 HG LEU 97 HG LEU 97 -16.818 -0.690 1.326 754 HD11 LEU 97 1HD1 LEU 97 -17.320 -2.552 3.490 755 HD12 LEU 97 2HD1 LEU 97 -18.445 -1.812 2.351 756 HD13 LEU 97 3HD1 LEU 97 -17.586 -3.288 1.909 757 HD21 LEU 97 3HD2 LEU 97 -14.785 -0.270 2.555 758 HD22 LEU 97 1HD2 LEU 97 -16.138 -0.406 3.678 759 HD23 LEU 97 2HD2 LEU 97 -15.010 -1.748 3.492 760 H ASP 98 H ASP 98 -16.494 -4.705 -1.205 761 HA ASP 98 HA ASP 98 -18.325 -5.934 -1.725 762 HB2 ASP 98 1HB ASP 98 -18.695 -5.252 0.767 763 HB3 ASP 98 2HB ASP 98 -19.949 -4.200 0.124 764 H ARG 99 H ARG 99 -21.086 -4.467 -1.392 765 HA ARG 99 HA ARG 99 -20.963 -2.771 -3.780 766 HB2 ARG 99 1HB ARG 99 -22.970 -5.004 -3.379 767 HB3 ARG 99 2HB ARG 99 -23.011 -3.827 -4.679 768 HG2 ARG 99 1HG ARG 99 -22.101 -5.652 -5.726 769 HG3 ARG 99 2HG ARG 99 -20.649 -4.774 -5.240 770 HD2 ARG 99 1HD ARG 99 -20.390 -6.205 -3.307 771 HD3 ARG 99 2HD ARG 99 -21.905 -7.027 -3.675 772 HE ARG 99 HE ARG 99 -20.751 -8.369 -5.093 773 HH11 ARG 99 2HH1 ARG 99 -18.909 -5.406 -4.709 774 HH12 ARG 99 1HH1 ARG 99 -17.596 -5.942 -5.710 775 HH21 ARG 99 2HH2 ARG 99 -18.997 -9.096 -6.355 776 HH22 ARG 99 1HH2 ARG 99 -17.643 -8.041 -6.643 777 H HIS 100 H HIS 100 -21.070 -1.772 -1.260 778 HA HIS 100 HA HIS 100 -23.858 -0.855 -1.046 779 HB2 HIS 100 1HB HIS 100 -22.119 -1.600 1.316 780 HB3 HIS 100 2HB HIS 100 -23.752 -0.957 1.397 781 HD1 HIS 100 HD1 HIS 100 -25.503 -2.687 -0.111 782 HD2 HIS 100 HD2 HIS 100 -22.118 -4.232 1.751 783 HE1 HIS 100 HE1 HIS 100 -25.944 -5.145 0.176 784 HE2 HIS 100 HE2 HIS 100 -23.806 -6.086 1.124 785 H PHE 101 H PHE 101 -24.080 1.263 -0.831 786 HA PHE 101 HA PHE 101 -21.765 2.809 0.113 787 HB2 PHE 101 1HB PHE 101 -23.003 4.824 -0.872 788 HB3 PHE 101 2HB PHE 101 -22.208 3.735 -1.996 789 HD1 PHE 101 HD2 PHE 101 -25.531 4.559 -0.537 790 HD2 PHE 101 HD1 PHE 101 -23.381 2.802 -3.761 791 HE1 PHE 101 HE2 PHE 101 -27.619 4.354 -1.817 792 HE2 PHE 101 HE1 PHE 101 -25.463 2.612 -5.051 793 HZ PHE 101 HZ PHE 101 -27.588 3.383 -4.077 794 H GLU 102 H GLU 102 -25.173 2.161 0.335 795 HA GLU 102 HA GLU 102 -26.723 2.476 1.964 796 HB2 GLU 102 1HB GLU 102 -25.150 0.758 2.841 797 HB3 GLU 102 2HB GLU 102 -24.326 2.026 3.737 798 HG2 GLU 102 1HG GLU 102 -26.342 2.469 5.008 799 HG3 GLU 102 2HG GLU 102 -27.214 1.252 4.078 800 H LYS 103 H LYS 103 -26.789 4.779 1.294 801 HA LYS 103 HA LYS 103 -27.004 6.992 1.770 802 HB2 LYS 103 1HB LYS 103 -27.302 5.913 4.576 803 HB3 LYS 103 2HB LYS 103 -27.857 7.482 4.012 804 HG2 LYS 103 1HG LYS 103 -28.867 4.791 3.125 805 HG3 LYS 103 2HG LYS 103 -29.712 5.958 4.144 806 HD2 LYS 103 1HD LYS 103 -29.595 7.573 2.230 807 HD3 LYS 103 2HD LYS 103 -28.972 6.253 1.237 808 HE2 LYS 103 1HE LYS 103 -31.323 6.414 0.854 809 HE3 LYS 103 2HE LYS 103 -31.023 4.956 1.800 810 HZ1 LYS 103 3HZ LYS 103 -31.554 6.370 3.809 811 HZ2 LYS 103 1HZ LYS 103 -32.858 6.002 2.791 812 HZ3 LYS 103 2HZ LYS 103 -32.140 7.538 2.728 813 H LYS 104 H LYS 104 -24.390 6.555 1.439 814 HA LYS 104 HA LYS 104 -23.242 8.491 3.274 815 HB2 LYS 104 1HB LYS 104 -22.054 5.749 2.839 816 HB3 LYS 104 2HB LYS 104 -21.113 7.108 3.439 817 HG2 LYS 104 1HG LYS 104 -22.671 7.295 5.348 818 HG3 LYS 104 2HG LYS 104 -23.518 5.865 4.761 819 HD2 LYS 104 1HD LYS 104 -20.600 5.944 5.519 820 HD3 LYS 104 2HD LYS 104 -21.896 5.385 6.577 821 HE2 LYS 104 1HE LYS 104 -21.167 4.195 3.903 822 HE3 LYS 104 2HE LYS 104 -20.742 3.524 5.476 823 HZ1 LYS 104 3HZ LYS 104 -22.638 2.368 4.724 824 HZ2 LYS 104 1HZ LYS 104 -23.448 3.796 4.297 825 HZ3 LYS 104 2HZ LYS 104 -23.192 3.423 5.931 826 H LYS 105 H LYS 105 -24.111 8.748 0.663 827 HA LYS 105 HA LYS 105 -23.520 9.771 -1.270 828 HB2 LYS 105 1HB LYS 105 -21.955 11.087 0.064 829 HB3 LYS 105 2HB LYS 105 -20.746 9.819 -0.072 830 HG2 LYS 105 1HG LYS 105 -20.635 10.176 -2.480 831 HG3 LYS 105 2HG LYS 105 -21.861 11.437 -2.352 832 HD2 LYS 105 1HD LYS 105 -19.752 12.529 -2.464 833 HD3 LYS 105 2HD LYS 105 -20.304 12.652 -0.795 834 HE2 LYS 105 1HE LYS 105 -18.528 10.389 -1.599 835 HE3 LYS 105 2HE LYS 105 -17.833 11.986 -1.338 836 HZ1 LYS 105 3HZ LYS 105 -18.499 10.064 0.579 837 HZ2 LYS 105 1HZ LYS 105 -19.536 11.388 0.815 838 HZ3 LYS 105 2HZ LYS 105 -17.857 11.614 0.825 839 H LYS 106 H LYS 106 -20.816 7.651 -0.434 840 HA LYS 106 HA LYS 106 -21.324 5.610 -2.211 841 HB2 LYS 106 1HB LYS 106 -20.900 7.347 -3.975 842 HB3 LYS 106 2HB LYS 106 -19.277 7.535 -3.327 843 HG2 LYS 106 1HG LYS 106 -19.244 6.131 -5.295 844 HG3 LYS 106 2HG LYS 106 -18.797 5.192 -3.869 845 HD2 LYS 106 1HD LYS 106 -20.310 3.922 -5.288 846 HD3 LYS 106 2HD LYS 106 -21.084 4.309 -3.752 847 HE2 LYS 106 1HE LYS 106 -22.645 4.640 -5.575 848 HE3 LYS 106 2HE LYS 106 -22.251 6.186 -4.823 849 HZ1 LYS 106 3HZ LYS 106 -20.546 5.475 -7.042 850 HZ2 LYS 106 1HZ LYS 106 -21.318 6.942 -6.694 851 HZ3 LYS 106 2HZ LYS 106 -22.172 5.692 -7.464 852 H VAL 107 H VAL 107 -19.184 7.618 -0.561 853 HA VAL 107 HA VAL 107 -17.967 5.448 0.828 854 HB VAL 107 HB VAL 107 -16.521 5.588 -1.201 855 HG11 VAL 107 1HG1 VAL 107 -16.447 8.427 -0.416 856 HG12 VAL 107 2HG1 VAL 107 -14.922 7.730 -0.962 857 HG13 VAL 107 3HG1 VAL 107 -16.338 7.686 -2.012 858 HG21 VAL 107 3HG2 VAL 107 -14.652 6.570 0.814 859 HG22 VAL 107 1HG2 VAL 107 -15.764 5.343 1.420 860 HG23 VAL 107 2HG2 VAL 107 -14.744 4.996 0.023 Start of MODEL 2 1 H1 GLY -1 1H GLY -1 -17.011 13.106 -4.307 2 H2 GLY -1 2H GLY -1 -15.389 13.036 -4.795 3 H3 GLY -1 3H GLY -1 -15.813 12.627 -3.204 4 HA2 GLY -1 1HA GLY -1 -17.323 10.879 -4.424 5 HA3 GLY -1 2HA GLY -1 -16.101 11.086 -5.674 6 H GLY 0 H GLY 0 -16.870 8.955 -3.554 7 HA2 GLY 0 2HA GLY 0 -14.572 7.557 -3.325 8 HA3 GLY 0 1HA GLY 0 -14.416 8.729 -2.023 9 H SER 1 H SER 1 -17.147 6.839 -3.296 10 HA SER 1 HA SER 1 -18.224 6.408 -0.700 11 HB2 SER 1 1HB SER 1 -18.911 5.047 -3.313 12 HB3 SER 1 2HB SER 1 -19.908 5.068 -1.857 13 HG SER 1 HG SER 1 -20.111 7.308 -2.077 14 H SER 2 H SER 2 -16.163 5.497 0.155 15 HA SER 2 HA SER 2 -15.118 3.780 1.189 16 HB2 SER 2 1HB SER 2 -17.241 2.020 -0.052 17 HB3 SER 2 2HB SER 2 -16.173 1.580 1.283 18 HG SER 2 HG SER 2 -17.136 3.225 2.522 19 H ARG 3 H ARG 3 -16.070 2.888 -2.120 20 HA ARG 3 HA ARG 3 -14.926 1.998 -3.854 21 HB2 ARG 3 1HB ARG 3 -13.374 3.875 -3.463 22 HB3 ARG 3 2HB ARG 3 -12.472 2.891 -2.325 23 HG2 ARG 3 1HG ARG 3 -11.359 3.062 -4.496 24 HG3 ARG 3 2HG ARG 3 -11.787 1.399 -4.103 25 HD2 ARG 3 1HD ARG 3 -13.562 3.125 -5.800 26 HD3 ARG 3 2HD ARG 3 -12.217 2.219 -6.491 27 HE ARG 3 HE ARG 3 -13.713 0.438 -4.969 28 HH11 ARG 3 2HH1 ARG 3 -14.106 2.380 -7.843 29 HH12 ARG 3 1HH1 ARG 3 -15.279 1.321 -8.563 30 HH21 ARG 3 2HH2 ARG 3 -15.282 -0.960 -5.888 31 HH22 ARG 3 1HH2 ARG 3 -15.953 -0.579 -7.449 32 H HIS 4 H HIS 4 -15.909 0.200 -2.229 33 HA HIS 4 HA HIS 4 -13.884 -1.695 -1.395 34 HB2 HIS 4 1HB HIS 4 -15.788 -3.201 -0.878 35 HB3 HIS 4 2HB HIS 4 -15.888 -1.651 -0.061 36 HD1 HIS 4 HD1 HIS 4 -17.297 -3.162 -3.288 37 HD2 HIS 4 HD2 HIS 4 -18.376 -0.659 -0.144 38 HE1 HIS 4 HE1 HIS 4 -19.711 -2.587 -3.675 39 HE2 HIS 4 HE2 HIS 4 -20.401 -1.285 -1.629 40 H GLN 5 H GLN 5 -13.229 -3.469 -2.445 41 HA GLN 5 HA GLN 5 -14.415 -4.533 -4.805 42 HB2 GLN 5 1HB GLN 5 -13.604 -2.359 -5.699 43 HB3 GLN 5 2HB GLN 5 -11.982 -2.761 -5.165 44 HG2 GLN 5 1HG GLN 5 -12.333 -3.094 -7.584 45 HG3 GLN 5 2HG GLN 5 -11.840 -4.562 -6.745 46 HE21 GLN 5 1HE2 GLN 5 -14.219 -3.051 -8.658 47 HE22 GLN 5 2HE2 GLN 5 -15.311 -4.395 -8.758 48 H PHE 6 H PHE 6 -13.531 -6.531 -5.203 49 HA PHE 6 HA PHE 6 -11.148 -7.222 -3.629 50 HB2 PHE 6 1HB PHE 6 -13.249 -8.607 -3.361 51 HB3 PHE 6 2HB PHE 6 -13.000 -9.168 -5.010 52 HD1 PHE 6 HD2 PHE 6 -10.005 -8.522 -3.139 53 HD2 PHE 6 HD1 PHE 6 -12.956 -11.463 -3.998 54 HE1 PHE 6 HE2 PHE 6 -8.503 -10.272 -2.281 55 HE2 PHE 6 HE1 PHE 6 -11.452 -13.222 -3.161 56 HZ PHE 6 HZ PHE 6 -9.223 -12.627 -2.298 57 H ASP 7 H ASP 7 -12.250 -6.522 -6.721 58 HA ASP 7 HA ASP 7 -10.217 -7.911 -8.209 59 HB2 ASP 7 1HB ASP 7 -12.120 -5.672 -8.900 60 HB3 ASP 7 2HB ASP 7 -10.871 -6.208 -10.014 61 H LEU 8 H LEU 8 -8.721 -7.020 -6.359 62 HA LEU 8 HA LEU 8 -7.843 -4.309 -6.696 63 HB2 LEU 8 1HB LEU 8 -6.645 -6.555 -5.130 64 HB3 LEU 8 2HB LEU 8 -6.157 -4.871 -5.056 65 HG LEU 8 HG LEU 8 -8.650 -6.148 -4.043 66 HD11 LEU 8 1HD1 LEU 8 -8.042 -4.646 -2.130 67 HD12 LEU 8 2HD1 LEU 8 -6.904 -5.946 -2.484 68 HD13 LEU 8 3HD1 LEU 8 -6.553 -4.302 -3.010 69 HD21 LEU 8 3HD2 LEU 8 -8.293 -3.264 -4.813 70 HD22 LEU 8 1HD2 LEU 8 -9.569 -4.372 -5.320 71 HD23 LEU 8 2HD2 LEU 8 -9.500 -3.810 -3.650 72 H ILE 9 H ILE 9 -7.317 -4.393 -8.948 73 HA ILE 9 HA ILE 9 -5.148 -6.065 -9.824 74 HB ILE 9 HB ILE 9 -6.727 -3.890 -11.216 75 HG12 ILE 9 1HG1 ILE 9 -7.428 -5.744 -12.685 76 HG13 ILE 9 2HG1 ILE 9 -6.432 -6.858 -11.760 77 HG21 ILE 9 1HG2 ILE 9 -4.912 -5.484 -12.877 78 HG22 ILE 9 2HG2 ILE 9 -5.302 -3.766 -12.944 79 HG23 ILE 9 3HG2 ILE 9 -4.106 -4.354 -11.790 80 HD11 ILE 9 3HD1 ILE 9 -8.910 -5.425 -10.836 81 HD12 ILE 9 1HD1 ILE 9 -8.694 -7.158 -11.097 82 HD13 ILE 9 2HD1 ILE 9 -7.848 -6.353 -9.771 83 H MET 10 H MET 10 -3.892 -5.292 -8.031 84 HA MET 10 HA MET 10 -3.034 -2.618 -7.921 85 HB2 MET 10 1HB MET 10 -1.205 -3.609 -6.381 86 HB3 MET 10 2HB MET 10 -2.885 -3.657 -5.876 87 HG2 MET 10 1HG MET 10 -3.046 -5.980 -6.514 88 HG3 MET 10 2HG MET 10 -1.399 -5.944 -7.139 89 HE1 MET 10 3HE MET 10 -2.121 -5.003 -2.700 90 HE2 MET 10 1HE MET 10 -2.201 -3.846 -4.029 91 HE3 MET 10 2HE MET 10 -3.450 -5.081 -3.857 92 H CYS 11 H CYS 11 -1.103 -1.679 -8.275 93 HA CYS 11 HA CYS 11 0.003 -1.915 -10.755 94 HB2 CYS 11 1HB CYS 11 0.086 0.059 -9.345 95 HB3 CYS 11 2HB CYS 11 1.148 -0.755 -8.213 96 H LEU 12 H LEU 12 1.421 -3.073 -7.722 97 HA LEU 12 HA LEU 12 3.146 -4.421 -7.213 98 HB2 LEU 12 1HB LEU 12 1.888 -5.888 -9.509 99 HB3 LEU 12 2HB LEU 12 3.116 -6.590 -8.467 100 HG LEU 12 HG LEU 12 0.373 -5.647 -7.639 101 HD11 LEU 12 1HD1 LEU 12 1.446 -8.387 -7.236 102 HD12 LEU 12 2HD1 LEU 12 -0.219 -7.844 -7.451 103 HD13 LEU 12 3HD1 LEU 12 0.869 -7.921 -8.837 104 HD21 LEU 12 3HD2 LEU 12 1.591 -5.119 -5.763 105 HD22 LEU 12 1HD2 LEU 12 1.198 -6.809 -5.443 106 HD23 LEU 12 2HD2 LEU 12 2.793 -6.375 -6.057 107 H LYS 13 H LYS 13 3.949 -2.304 -8.993 108 HA LYS 13 HA LYS 13 6.066 -3.500 -10.578 109 HB2 LYS 13 1HB LYS 13 5.065 -0.732 -10.161 110 HB3 LYS 13 2HB LYS 13 6.761 -0.929 -10.590 111 HG2 LYS 13 1HG LYS 13 6.025 -2.308 -12.529 112 HG3 LYS 13 2HG LYS 13 4.362 -1.857 -12.145 113 HD2 LYS 13 1HD LYS 13 6.552 0.138 -12.680 114 HD3 LYS 13 2HD LYS 13 5.471 -0.479 -13.923 115 HE2 LYS 13 1HE LYS 13 3.616 0.276 -12.235 116 HE3 LYS 13 2HE LYS 13 4.897 1.332 -11.645 117 HZ1 LYS 13 3HZ LYS 13 5.088 1.738 -14.272 118 HZ2 LYS 13 1HZ LYS 13 4.113 2.683 -13.250 119 HZ3 LYS 13 2HZ LYS 13 3.424 1.422 -14.141 120 H GLN 14 H GLN 14 8.311 -2.702 -10.187 121 HA GLN 14 HA GLN 14 9.198 -3.620 -7.707 122 HB2 GLN 14 1HB GLN 14 10.412 -3.231 -10.015 123 HB3 GLN 14 2HB GLN 14 10.865 -1.700 -9.285 124 HG2 GLN 14 1HG GLN 14 11.400 -4.362 -7.999 125 HG3 GLN 14 2HG GLN 14 12.535 -3.561 -9.081 126 HE21 GLN 14 1HE2 GLN 14 11.982 -4.149 -5.982 127 HE22 GLN 14 2HE2 GLN 14 12.650 -2.728 -5.250 128 HA PRO 15 HA PRO 15 8.138 0.051 -5.399 129 HB2 PRO 15 1HB PRO 15 8.535 -1.018 -2.943 130 HB3 PRO 15 2HB PRO 15 7.097 -1.339 -3.917 131 HG2 PRO 15 1HG PRO 15 9.508 -3.034 -3.481 132 HG3 PRO 15 2HG PRO 15 7.810 -3.512 -3.627 133 HD2 PRO 15 1HD PRO 15 9.649 -3.730 -5.648 134 HD3 PRO 15 2HD PRO 15 7.901 -3.573 -5.906 135 H GLY 16 H GLY 16 9.219 1.717 -4.538 136 HA2 GLY 16 2HA GLY 16 12.120 1.449 -4.243 137 HA3 GLY 16 1HA GLY 16 11.223 2.961 -4.328 138 H VAL 17 H VAL 17 12.006 3.867 -2.457 139 HA VAL 17 HA VAL 17 11.773 2.390 0.043 140 HB VAL 17 HB VAL 17 13.776 3.786 -0.403 141 HG11 VAL 17 1HG1 VAL 17 12.673 6.341 0.290 142 HG12 VAL 17 2HG1 VAL 17 13.657 5.884 -1.101 143 HG13 VAL 17 3HG1 VAL 17 11.902 5.721 -1.170 144 HG21 VAL 17 3HG2 VAL 17 12.049 4.330 1.980 145 HG22 VAL 17 1HG2 VAL 17 13.484 3.316 1.847 146 HG23 VAL 17 2HG2 VAL 17 13.644 5.072 1.825 147 H GLN 18 H GLN 18 10.092 4.759 -1.791 148 HA GLN 18 HA GLN 18 8.704 6.154 0.155 149 HB2 GLN 18 1HB GLN 18 7.861 5.413 -2.652 150 HB3 GLN 18 2HB GLN 18 6.976 6.540 -1.638 151 HG2 GLN 18 1HG GLN 18 8.231 8.005 -2.826 152 HG3 GLN 18 2HG GLN 18 9.327 7.717 -1.482 153 HE21 GLN 18 1HE2 GLN 18 9.460 8.327 -4.518 154 HE22 GLN 18 2HE2 GLN 18 10.740 7.300 -5.060 155 H THR 19 H THR 19 7.213 5.663 1.561 156 HA THR 19 HA THR 19 6.071 3.003 1.622 157 HB THR 19 HB THR 19 5.703 5.295 3.564 158 HG1 THR 19 HG1 THR 19 7.908 4.053 2.983 159 HG21 THR 19 1HG2 THR 19 5.375 3.299 5.151 160 HG22 THR 19 2HG2 THR 19 5.115 2.349 3.687 161 HG23 THR 19 3HG2 THR 19 4.049 3.705 4.060 162 H GLY 20 H GLY 20 3.959 2.469 1.328 163 HA2 GLY 20 2HA GLY 20 2.345 4.200 -0.255 164 HA3 GLY 20 1HA GLY 20 1.864 2.639 0.390 165 H LEU 21 H LEU 21 0.828 5.611 0.271 166 HA LEU 21 HA LEU 21 0.283 6.080 3.074 167 HB2 LEU 21 1HB LEU 21 -0.401 7.616 0.579 168 HB3 LEU 21 2HB LEU 21 -0.958 8.087 2.173 169 HG LEU 21 HG LEU 21 1.916 7.942 1.255 170 HD11 LEU 21 1HD1 LEU 21 1.259 9.933 0.405 171 HD12 LEU 21 2HD1 LEU 21 -0.094 10.091 1.525 172 HD13 LEU 21 3HD1 LEU 21 1.544 10.456 2.065 173 HD21 LEU 21 3HD2 LEU 21 2.182 9.148 3.547 174 HD22 LEU 21 1HD2 LEU 21 0.676 8.322 3.945 175 HD23 LEU 21 2HD2 LEU 21 2.100 7.387 3.487 176 H LEU 22 H LEU 22 -1.642 6.040 4.066 177 HA LEU 22 HA LEU 22 -3.927 4.867 2.611 178 HB2 LEU 22 1HB LEU 22 -3.278 4.725 5.559 179 HB3 LEU 22 2HB LEU 22 -4.732 4.092 4.817 180 HG LEU 22 HG LEU 22 -1.922 3.107 4.373 181 HD11 LEU 22 1HD1 LEU 22 -4.294 2.079 5.896 182 HD12 LEU 22 2HD1 LEU 22 -3.028 0.996 5.320 183 HD13 LEU 22 3HD1 LEU 22 -2.631 2.294 6.447 184 HD21 LEU 22 3HD2 LEU 22 -2.842 2.690 2.322 185 HD22 LEU 22 1HD2 LEU 22 -3.367 1.248 3.193 186 HD23 LEU 22 2HD2 LEU 22 -4.485 2.591 2.954 187 H CYS 23 H CYS 23 -5.843 5.947 2.704 188 HA CYS 23 HA CYS 23 -5.855 8.604 3.839 189 HB2 CYS 23 1HB CYS 23 -7.923 8.939 2.793 190 HB3 CYS 23 2HB CYS 23 -7.084 7.868 1.679 191 H GLU 24 H GLU 24 -7.378 9.246 5.476 192 HA GLU 24 HA GLU 24 -7.272 7.737 7.780 193 HB2 GLU 24 1HB GLU 24 -9.415 9.754 7.084 194 HB3 GLU 24 2HB GLU 24 -8.912 9.278 8.702 195 HG2 GLU 24 1HG GLU 24 -6.695 10.215 8.288 196 HG3 GLU 24 2HG GLU 24 -7.201 10.691 6.668 197 H LYS 25 H LYS 25 -9.715 7.679 5.262 198 HA LYS 25 HA LYS 25 -11.643 6.198 6.715 199 HB2 LYS 25 1HB LYS 25 -11.268 6.437 3.725 200 HB3 LYS 25 2HB LYS 25 -12.712 5.844 4.535 201 HG2 LYS 25 1HG LYS 25 -13.016 8.015 5.605 202 HG3 LYS 25 2HG LYS 25 -11.565 8.614 4.806 203 HD2 LYS 25 1HD LYS 25 -13.493 9.386 3.597 204 HD3 LYS 25 2HD LYS 25 -12.657 8.180 2.617 205 HE2 LYS 25 1HE LYS 25 -14.275 6.537 3.069 206 HE3 LYS 25 2HE LYS 25 -14.959 7.461 4.406 207 HZ1 LYS 25 3HZ LYS 25 -16.098 8.826 3.006 208 HZ2 LYS 25 1HZ LYS 25 -16.117 7.408 2.081 209 HZ3 LYS 25 2HZ LYS 25 -15.009 8.643 1.719 210 H CYS 26 H CYS 26 -8.776 5.237 4.975 211 HA CYS 26 HA CYS 26 -9.519 2.396 5.354 212 HB2 CYS 26 1HB CYS 26 -7.251 3.474 3.661 213 HB3 CYS 26 2HB CYS 26 -7.774 1.799 3.780 214 H ASP 27 H ASP 27 -8.844 3.969 7.521 215 HA ASP 27 HA ASP 27 -6.112 3.997 8.157 216 HB2 ASP 27 1HB ASP 27 -7.867 5.386 9.237 217 HB3 ASP 27 2HB ASP 27 -8.475 3.953 10.045 218 H GLY 28 H GLY 28 -4.813 2.372 8.551 219 HA2 GLY 28 2HA GLY 28 -3.955 0.450 9.464 220 HA3 GLY 28 1HA GLY 28 -5.391 0.371 10.470 221 H LYS 29 H LYS 29 -5.076 0.193 6.928 222 HA LYS 29 HA LYS 29 -6.225 -2.521 7.082 223 HB2 LYS 29 1HB LYS 29 -6.604 -0.614 4.778 224 HB3 LYS 29 2HB LYS 29 -7.440 -2.130 5.070 225 HG2 LYS 29 1HG LYS 29 -8.546 -1.146 7.017 226 HG3 LYS 29 2HG LYS 29 -7.721 0.383 6.698 227 HD2 LYS 29 1HD LYS 29 -9.886 0.583 5.759 228 HD3 LYS 29 2HD LYS 29 -8.775 0.338 4.410 229 HE2 LYS 29 1HE LYS 29 -9.343 -2.123 4.559 230 HE3 LYS 29 2HE LYS 29 -10.632 -1.655 5.663 231 HZ1 LYS 29 3HZ LYS 29 -10.660 -1.658 2.869 232 HZ2 LYS 29 1HZ LYS 29 -10.819 -0.044 3.383 233 HZ3 LYS 29 2HZ LYS 29 -11.904 -1.223 3.932 234 H CYS 30 H CYS 30 -5.309 -4.098 5.878 235 HA CYS 30 HA CYS 30 -2.739 -3.589 4.648 236 HB2 CYS 30 1HB CYS 30 -3.021 -5.638 5.898 237 HB3 CYS 30 2HB CYS 30 -4.426 -6.085 4.937 238 HA PRO 31 HA PRO 31 -4.647 -2.513 0.782 239 HB2 PRO 31 1HB PRO 31 -1.938 -2.952 -0.314 240 HB3 PRO 31 2HB PRO 31 -2.949 -1.506 -0.352 241 HG2 PRO 31 1HG PRO 31 -0.811 -1.656 1.245 242 HG3 PRO 31 2HG PRO 31 -2.293 -0.827 1.757 243 HD2 PRO 31 1HD PRO 31 -1.277 -3.538 2.513 244 HD3 PRO 31 2HD PRO 31 -2.080 -2.313 3.518 245 H ILE 32 H ILE 32 -2.441 -5.267 0.964 246 HA ILE 32 HA ILE 32 -2.981 -6.308 -1.566 247 HB ILE 32 HB ILE 32 -2.169 -7.912 0.860 248 HG12 ILE 32 1HG1 ILE 32 -0.760 -5.837 0.327 249 HG13 ILE 32 2HG1 ILE 32 0.094 -7.371 0.431 250 HG21 ILE 32 1HG2 ILE 32 -1.548 -8.425 -2.042 251 HG22 ILE 32 2HG2 ILE 32 -1.276 -9.502 -0.673 252 HG23 ILE 32 3HG2 ILE 32 -2.921 -9.144 -1.200 253 HD11 ILE 32 3HD1 ILE 32 0.649 -5.741 -1.478 254 HD12 ILE 32 1HD1 ILE 32 0.470 -7.459 -1.843 255 HD13 ILE 32 2HD1 ILE 32 -0.843 -6.338 -2.208 256 H CYS 33 H CYS 33 -4.548 -7.011 1.544 257 HA CYS 33 HA CYS 33 -6.411 -8.742 0.078 258 HB2 CYS 33 1HB CYS 33 -6.683 -10.019 2.151 259 HB3 CYS 33 2HB CYS 33 -5.003 -9.974 1.628 260 H ASP 34 H ASP 34 -6.238 -5.859 1.837 261 HA ASP 34 HA ASP 34 -7.776 -4.370 2.570 262 HB2 ASP 34 1HB ASP 34 -8.867 -4.667 0.422 263 HB3 ASP 34 2HB ASP 34 -9.694 -6.109 1.003 264 H SER 35 H SER 35 -7.333 -5.049 4.708 265 HA SER 35 HA SER 35 -9.606 -5.792 6.226 266 HB2 SER 35 1HB SER 35 -8.977 -8.034 5.322 267 HB3 SER 35 2HB SER 35 -7.397 -7.865 6.085 268 HG SER 35 HG SER 35 -9.294 -9.013 7.206 269 H TYR 36 H TYR 36 -9.213 -5.635 8.497 270 HA TYR 36 HA TYR 36 -6.920 -3.951 9.127 271 HB2 TYR 36 1HB TYR 36 -9.331 -4.757 10.770 272 HB3 TYR 36 2HB TYR 36 -8.063 -3.682 11.337 273 HD1 TYR 36 HD2 TYR 36 -10.189 -3.927 8.251 274 HD2 TYR 36 HD1 TYR 36 -8.680 -1.485 11.389 275 HE1 TYR 36 HE2 TYR 36 -11.418 -2.007 7.339 276 HE2 TYR 36 HE1 TYR 36 -9.915 0.440 10.492 277 HH TYR 36 HH TYR 36 -11.254 1.191 8.893 278 H VAL 37 H VAL 37 -6.755 -6.905 8.653 279 HA VAL 37 HA VAL 37 -6.264 -8.222 11.103 280 HB VAL 37 HB VAL 37 -6.801 -9.431 9.043 281 HG11 VAL 37 1HG1 VAL 37 -5.767 -9.119 7.117 282 HG12 VAL 37 2HG1 VAL 37 -4.869 -7.813 7.891 283 HG13 VAL 37 3HG1 VAL 37 -4.190 -9.439 7.840 284 HG21 VAL 37 3HG2 VAL 37 -5.305 -11.275 9.286 285 HG22 VAL 37 1HG2 VAL 37 -4.058 -10.240 9.984 286 HG23 VAL 37 2HG2 VAL 37 -5.545 -10.555 10.879 287 H ARG 38 H ARG 38 -4.261 -8.962 11.951 288 HA ARG 38 HA ARG 38 -2.485 -7.089 12.687 289 HB2 ARG 38 1HB ARG 38 -0.893 -8.935 13.217 290 HB3 ARG 38 2HB ARG 38 -2.536 -9.236 13.766 291 HG2 ARG 38 1HG ARG 38 -2.931 -10.767 11.985 292 HG3 ARG 38 2HG ARG 38 -1.413 -10.329 11.198 293 HD2 ARG 38 1HD ARG 38 -1.196 -12.460 12.336 294 HD3 ARG 38 2HD ARG 38 -0.171 -11.245 13.096 295 HE ARG 38 HE ARG 38 -2.573 -11.249 14.489 296 HH11 ARG 38 2HH1 ARG 38 0.026 -13.493 13.824 297 HH12 ARG 38 1HH1 ARG 38 -0.148 -14.348 15.322 298 HH21 ARG 38 2HH2 ARG 38 -2.814 -12.350 16.454 299 HH22 ARG 38 1HH2 ARG 38 -1.779 -13.706 16.827 300 HA PRO 39 HA PRO 39 0.016 -6.178 9.108 301 HB2 PRO 39 1HB PRO 39 1.684 -4.602 10.897 302 HB3 PRO 39 2HB PRO 39 0.597 -4.051 9.622 303 HG2 PRO 39 1HG PRO 39 0.109 -3.640 12.257 304 HG3 PRO 39 2HG PRO 39 -1.181 -3.825 11.055 305 HD2 PRO 39 1HD PRO 39 -0.087 -5.838 12.988 306 HD3 PRO 39 2HD PRO 39 -1.775 -5.513 12.535 307 H LYS 40 H LYS 40 2.681 -5.644 9.166 308 HA LYS 40 HA LYS 40 4.251 -7.401 10.728 309 HB2 LYS 40 1HB LYS 40 3.110 -9.092 9.322 310 HB3 LYS 40 2HB LYS 40 3.735 -8.297 7.886 311 HG2 LYS 40 1HG LYS 40 5.143 -10.119 8.211 312 HG3 LYS 40 2HG LYS 40 6.051 -8.745 8.838 313 HD2 LYS 40 1HD LYS 40 4.376 -10.494 10.623 314 HD3 LYS 40 2HD LYS 40 6.046 -10.900 10.220 315 HE2 LYS 40 1HE LYS 40 6.751 -8.703 11.115 316 HE3 LYS 40 2HE LYS 40 5.083 -8.394 11.599 317 HZ1 LYS 40 3HZ LYS 40 5.343 -10.622 12.843 318 HZ2 LYS 40 1HZ LYS 40 6.029 -9.226 13.510 319 HZ3 LYS 40 2HZ LYS 40 7.009 -10.338 12.691 320 H ARG 41 H ARG 41 3.956 -5.788 7.584 321 HA ARG 41 HA ARG 41 6.592 -4.564 7.961 322 HB2 ARG 41 1HB ARG 41 7.121 -6.594 6.811 323 HB3 ARG 41 2HB ARG 41 5.779 -6.392 5.699 324 HG2 ARG 41 1HG ARG 41 6.913 -4.463 4.698 325 HG3 ARG 41 2HG ARG 41 8.270 -4.707 5.803 326 HD2 ARG 41 1HD ARG 41 7.276 -6.824 3.905 327 HD3 ARG 41 2HD ARG 41 8.556 -5.684 3.499 328 HE ARG 41 HE ARG 41 9.371 -6.800 5.859 329 HH11 ARG 41 2HH1 ARG 41 8.334 -8.179 2.798 330 HH12 ARG 41 1HH1 ARG 41 9.513 -9.462 2.834 331 HH21 ARG 41 2HH2 ARG 41 10.894 -8.498 5.920 332 HH22 ARG 41 1HH2 ARG 41 10.942 -9.667 4.634 333 H LYS 42 H LYS 42 6.740 -2.534 7.094 334 HA LYS 42 HA LYS 42 4.372 -1.216 6.328 335 HB2 LYS 42 1HB LYS 42 7.228 -0.456 6.510 336 HB3 LYS 42 2HB LYS 42 6.222 0.523 5.449 337 HG2 LYS 42 1HG LYS 42 4.617 0.664 7.455 338 HG3 LYS 42 2HG LYS 42 5.999 0.116 8.405 339 HD2 LYS 42 1HD LYS 42 7.297 2.015 7.719 340 HD3 LYS 42 2HD LYS 42 6.051 2.512 6.573 341 HE2 LYS 42 1HE LYS 42 4.497 2.798 8.507 342 HE3 LYS 42 2HE LYS 42 5.857 2.484 9.583 343 HZ1 LYS 42 3HZ LYS 42 6.422 4.607 9.433 344 HZ2 LYS 42 1HZ LYS 42 5.108 4.909 8.404 345 HZ3 LYS 42 2HZ LYS 42 6.612 4.472 7.752 346 H VAL 43 H VAL 43 3.553 -0.566 4.482 347 HA VAL 43 HA VAL 43 4.118 -2.052 2.127 348 HB VAL 43 HB VAL 43 2.172 0.031 2.952 349 HG11 VAL 43 1HG1 VAL 43 1.296 0.159 0.628 350 HG12 VAL 43 2HG1 VAL 43 2.841 0.975 0.870 351 HG13 VAL 43 3HG1 VAL 43 2.791 -0.601 0.082 352 HG21 VAL 43 3HG2 VAL 43 2.079 -2.638 2.889 353 HG22 VAL 43 1HG2 VAL 43 0.650 -1.621 2.689 354 HG23 VAL 43 2HG2 VAL 43 1.462 -2.292 1.275 355 H ARG 44 H ARG 44 5.266 -1.525 0.363 356 HA ARG 44 HA ARG 44 6.334 1.210 0.204 357 HB2 ARG 44 1HB ARG 44 7.782 -1.374 -0.407 358 HB3 ARG 44 2HB ARG 44 8.403 0.227 -0.792 359 HG2 ARG 44 1HG ARG 44 8.576 0.808 1.502 360 HG3 ARG 44 2HG ARG 44 7.667 -0.619 1.997 361 HD2 ARG 44 1HD ARG 44 10.048 -0.896 2.418 362 HD3 ARG 44 2HD ARG 44 9.472 -2.053 1.220 363 HE ARG 44 HE ARG 44 10.415 0.083 -0.232 364 HH11 ARG 44 2HH1 ARG 44 11.763 -2.024 2.219 365 HH12 ARG 44 1HH1 ARG 44 13.356 -2.032 1.517 366 HH21 ARG 44 2HH2 ARG 44 12.499 0.082 -1.151 367 HH22 ARG 44 1HH2 ARG 44 13.779 -0.821 -0.399 368 H VAL 45 H VAL 45 5.946 2.212 -1.653 369 HA VAL 45 HA VAL 45 4.637 0.655 -3.764 370 HB VAL 45 HB VAL 45 3.815 2.842 -4.606 371 HG11 VAL 45 1HG1 VAL 45 2.644 1.357 -2.868 372 HG12 VAL 45 2HG1 VAL 45 3.101 2.601 -1.704 373 HG13 VAL 45 3HG1 VAL 45 2.065 3.010 -3.071 374 HG21 VAL 45 3HG2 VAL 45 4.289 4.346 -2.189 375 HG22 VAL 45 1HG2 VAL 45 5.808 3.898 -2.966 376 HG23 VAL 45 2HG2 VAL 45 4.588 4.797 -3.867 377 H CYS 46 H CYS 46 5.096 1.117 -5.987 378 HA CYS 46 HA CYS 46 7.877 1.245 -6.517 379 HB2 CYS 46 1HB CYS 46 7.362 0.724 -8.707 380 HB3 CYS 46 2HB CYS 46 5.951 0.087 -7.874 381 H GLU 47 H GLU 47 9.057 2.843 -7.540 382 HA GLU 47 HA GLU 47 8.616 5.440 -6.637 383 HB2 GLU 47 1HB GLU 47 10.809 4.397 -7.300 384 HB3 GLU 47 2HB GLU 47 10.353 4.648 -8.978 385 HG2 GLU 47 1HG GLU 47 10.131 7.066 -7.386 386 HG3 GLU 47 2HG GLU 47 11.760 6.393 -7.389 387 H ASN 48 H ASN 48 7.649 3.849 -9.559 388 HA ASN 48 HA ASN 48 6.969 6.064 -11.140 389 HB2 ASN 48 1HB ASN 48 6.192 3.191 -11.071 390 HB3 ASN 48 2HB ASN 48 5.154 4.289 -11.968 391 HD21 ASN 48 1HD2 ASN 48 7.806 2.329 -12.150 392 HD22 ASN 48 2HD2 ASN 48 8.513 2.960 -13.597 393 H CYS 49 H CYS 49 5.309 4.603 -8.405 394 HA CYS 49 HA CYS 49 3.015 6.401 -8.855 395 HB2 CYS 49 1HB CYS 49 3.284 4.093 -6.927 396 HB3 CYS 49 2HB CYS 49 1.862 5.113 -7.099 397 H SER 50 H SER 50 5.660 7.266 -7.857 398 HA SER 50 HA SER 50 4.809 8.196 -5.195 399 HB2 SER 50 1HB SER 50 7.648 8.289 -6.215 400 HB3 SER 50 2HB SER 50 7.070 8.416 -4.553 401 HG SER 50 HG SER 50 6.226 6.108 -5.621 402 H PHE 51 H PHE 51 5.784 9.081 -8.379 403 HA PHE 51 HA PHE 51 5.634 11.927 -7.709 404 HB2 PHE 51 1HB PHE 51 6.455 12.296 -10.038 405 HB3 PHE 51 2HB PHE 51 7.575 11.396 -9.027 406 HD1 PHE 51 HD2 PHE 51 4.938 10.919 -11.618 407 HD2 PHE 51 HD1 PHE 51 8.454 9.395 -9.770 408 HE1 PHE 51 HE2 PHE 51 5.081 9.169 -13.339 409 HE2 PHE 51 HE1 PHE 51 8.605 7.647 -11.492 410 HZ PHE 51 HZ PHE 51 6.917 7.530 -13.279 411 H GLY 52 H GLY 52 4.172 13.298 -8.770 412 HA2 GLY 52 2HA GLY 52 2.392 13.786 -10.236 413 HA3 GLY 52 1HA GLY 52 2.152 12.065 -10.486 414 H LYS 53 H LYS 53 -0.087 13.107 -10.229 415 HA LYS 53 HA LYS 53 -0.994 13.820 -7.640 416 HB2 LYS 53 1HB LYS 53 -2.172 14.618 -9.576 417 HB3 LYS 53 2HB LYS 53 -2.454 12.983 -10.150 418 HG2 LYS 53 1HG LYS 53 -4.504 13.502 -9.298 419 HG3 LYS 53 2HG LYS 53 -3.761 12.730 -7.900 420 HD2 LYS 53 1HD LYS 53 -3.726 15.709 -8.332 421 HD3 LYS 53 2HD LYS 53 -5.027 14.884 -7.475 422 HE2 LYS 53 1HE LYS 53 -3.234 13.921 -5.965 423 HE3 LYS 53 2HE LYS 53 -2.124 15.075 -6.706 424 HZ1 LYS 53 3HZ LYS 53 -2.996 16.012 -4.701 425 HZ2 LYS 53 1HZ LYS 53 -4.594 15.699 -5.177 426 HZ3 LYS 53 2HZ LYS 53 -3.673 16.859 -6.006 427 H GLN 54 H GLN 54 -1.338 10.827 -9.543 428 HA GLN 54 HA GLN 54 -2.742 9.482 -7.422 429 HB2 GLN 54 1HB GLN 54 -3.060 9.015 -9.880 430 HB3 GLN 54 2HB GLN 54 -1.482 8.240 -9.872 431 HG2 GLN 54 1HG GLN 54 -3.167 6.556 -9.709 432 HG3 GLN 54 2HG GLN 54 -2.314 6.650 -8.170 433 HE21 GLN 54 1HE2 GLN 54 -4.595 9.122 -9.002 434 HE22 GLN 54 2HE2 GLN 54 -5.849 8.619 -7.910 435 H ALA 55 H ALA 55 -0.656 10.336 -6.153 436 HA ALA 55 HA ALA 55 1.016 7.950 -5.738 437 HB1 ALA 55 3HB ALA 55 2.986 9.309 -5.498 438 HB2 ALA 55 1HB ALA 55 2.240 9.657 -7.059 439 HB3 ALA 55 2HB ALA 55 2.043 10.783 -5.716 440 H LYS 56 H LYS 56 0.202 11.150 -4.404 441 HA LYS 56 HA LYS 56 0.756 10.293 -1.717 442 HB2 LYS 56 1HB LYS 56 -0.549 12.838 -2.688 443 HB3 LYS 56 2HB LYS 56 0.055 12.539 -1.062 444 HG2 LYS 56 1HG LYS 56 1.686 12.688 -3.589 445 HG3 LYS 56 2HG LYS 56 1.651 13.870 -2.277 446 HD2 LYS 56 1HD LYS 56 2.966 12.608 -0.926 447 HD3 LYS 56 2HD LYS 56 2.303 11.085 -1.527 448 HE2 LYS 56 1HE LYS 56 4.598 11.242 -2.197 449 HE3 LYS 56 2HE LYS 56 3.576 11.416 -3.622 450 HZ1 LYS 56 3HZ LYS 56 4.778 13.692 -2.140 451 HZ2 LYS 56 1HZ LYS 56 3.930 13.770 -3.608 452 HZ3 LYS 56 2HZ LYS 56 5.442 13.006 -3.541 453 H ASN 57 H ASN 57 -1.914 10.186 -3.803 454 HA ASN 57 HA ASN 57 -3.986 10.228 -1.841 455 HB2 ASN 57 1HB ASN 57 -4.008 8.901 -4.560 456 HB3 ASN 57 2HB ASN 57 -5.412 9.175 -3.545 457 HD21 ASN 57 1HD2 ASN 57 -4.258 10.161 -6.257 458 HD22 ASN 57 2HD2 ASN 57 -4.623 11.847 -6.215 459 H CYS 58 H CYS 58 -5.108 8.504 -0.984 460 HA CYS 58 HA CYS 58 -3.711 6.445 0.180 461 HB2 CYS 58 1HB CYS 58 -5.851 7.192 0.956 462 HB3 CYS 58 2HB CYS 58 -6.619 6.717 -0.547 463 H ILE 59 H ILE 59 -3.125 4.454 -0.354 464 HA ILE 59 HA ILE 59 -3.091 3.776 -3.112 465 HB ILE 59 HB ILE 59 -1.804 1.783 -2.373 466 HG12 ILE 59 1HG1 ILE 59 -2.358 2.926 0.376 467 HG13 ILE 59 2HG1 ILE 59 -2.812 1.332 -0.220 468 HG21 ILE 59 1HG2 ILE 59 -0.094 3.175 -2.585 469 HG22 ILE 59 2HG2 ILE 59 -1.150 4.533 -2.196 470 HG23 ILE 59 3HG2 ILE 59 -0.291 3.685 -0.907 471 HD11 ILE 59 3HD1 ILE 59 -0.939 0.552 0.655 472 HD12 ILE 59 1HD1 ILE 59 -0.039 1.493 -0.533 473 HD13 ILE 59 2HD1 ILE 59 -0.388 2.184 1.060 474 H ILE 60 H ILE 60 -4.885 2.521 -0.345 475 HA ILE 60 HA ILE 60 -5.726 0.147 -1.641 476 HB ILE 60 HB ILE 60 -6.957 1.492 0.765 477 HG12 ILE 60 1HG1 ILE 60 -4.822 -0.639 0.522 478 HG13 ILE 60 2HG1 ILE 60 -4.605 0.996 1.136 479 HG21 ILE 60 1HG2 ILE 60 -8.327 -0.273 1.024 480 HG22 ILE 60 2HG2 ILE 60 -8.059 -0.510 -0.703 481 HG23 ILE 60 3HG2 ILE 60 -7.112 -1.426 0.470 482 HD11 ILE 60 3HD1 ILE 60 -5.516 0.507 3.151 483 HD12 ILE 60 1HD1 ILE 60 -6.613 -0.705 2.488 484 HD13 ILE 60 2HD1 ILE 60 -4.909 -1.094 2.730 485 H CYS 61 H CYS 61 -7.444 3.222 -1.021 486 HA CYS 61 HA CYS 61 -9.568 2.215 -2.766 487 HB2 CYS 61 1HB CYS 61 -11.045 3.858 -1.845 488 HB3 CYS 61 2HB CYS 61 -10.244 3.038 -0.510 489 H ASN 62 H ASN 62 -6.825 3.804 -3.110 490 HA ASN 62 HA ASN 62 -5.999 5.482 -4.466 491 HB2 ASN 62 1HB ASN 62 -6.744 4.934 -6.887 492 HB3 ASN 62 2HB ASN 62 -5.822 3.751 -5.972 493 HD21 ASN 62 1HD2 ASN 62 -8.810 4.491 -7.488 494 HD22 ASN 62 2HD2 ASN 62 -9.537 2.938 -7.289 495 H LEU 63 H LEU 63 -7.980 6.795 -3.164 496 HA LEU 63 HA LEU 63 -9.113 8.451 -5.305 497 HB2 LEU 63 1HB LEU 63 -10.556 6.556 -3.926 498 HB3 LEU 63 2HB LEU 63 -10.909 8.022 -3.036 499 HG LEU 63 HG LEU 63 -12.636 7.790 -4.625 500 HD11 LEU 63 1HD1 LEU 63 -11.477 9.614 -6.429 501 HD12 LEU 63 2HD1 LEU 63 -12.530 9.957 -5.056 502 HD13 LEU 63 3HD1 LEU 63 -10.780 9.946 -4.842 503 HD21 LEU 63 3HD2 LEU 63 -12.330 7.296 -6.935 504 HD22 LEU 63 1HD2 LEU 63 -10.579 7.470 -6.797 505 HD23 LEU 63 2HD2 LEU 63 -11.398 6.122 -6.006 506 H ASN 64 H ASN 64 -9.297 8.225 -1.762 507 HA ASN 64 HA ASN 64 -9.055 11.095 -1.505 508 HB2 ASN 64 1HB ASN 64 -9.101 9.002 0.684 509 HB3 ASN 64 2HB ASN 64 -9.382 10.730 0.871 510 HD21 ASN 64 1HD2 ASN 64 -10.846 7.828 0.715 511 HD22 ASN 64 2HD2 ASN 64 -12.423 8.310 0.197 512 H VAL 65 H VAL 65 -7.319 12.217 -0.652 513 HA VAL 65 HA VAL 65 -4.724 11.272 -1.062 514 HB VAL 65 HB VAL 65 -5.561 13.475 0.837 515 HG11 VAL 65 1HG1 VAL 65 -3.402 14.008 1.103 516 HG12 VAL 65 2HG1 VAL 65 -3.066 12.378 0.520 517 HG13 VAL 65 3HG1 VAL 65 -3.032 13.741 -0.600 518 HG21 VAL 65 3HG2 VAL 65 -6.274 14.560 -0.968 519 HG22 VAL 65 1HG2 VAL 65 -4.603 14.585 -1.535 520 HG23 VAL 65 2HG2 VAL 65 -5.687 13.288 -2.037 521 H GLY 66 H GLY 66 -3.264 10.207 0.175 522 HA2 GLY 66 2HA GLY 66 -4.286 8.912 2.564 523 HA3 GLY 66 1HA GLY 66 -2.798 8.523 1.719 524 H VAL 67 H VAL 67 -3.362 8.952 4.580 525 HA VAL 67 HA VAL 67 -1.325 11.030 5.048 526 HB VAL 67 HB VAL 67 -2.380 11.495 7.242 527 HG11 VAL 67 1HG1 VAL 67 -4.648 12.177 5.606 528 HG12 VAL 67 2HG1 VAL 67 -3.384 13.220 6.260 529 HG13 VAL 67 3HG1 VAL 67 -3.143 12.404 4.715 530 HG21 VAL 67 3HG2 VAL 67 -3.627 9.496 7.643 531 HG22 VAL 67 1HG2 VAL 67 -4.767 10.841 7.550 532 HG23 VAL 67 2HG2 VAL 67 -4.586 9.743 6.181 533 H ASN 68 H ASN 68 -2.774 8.004 6.050 534 HA ASN 68 HA ASN 68 -0.740 7.452 8.030 535 HB2 ASN 68 1HB ASN 68 -2.772 5.507 6.915 536 HB3 ASN 68 2HB ASN 68 -1.906 5.398 8.441 537 HD21 ASN 68 1HD2 ASN 68 -2.721 6.302 10.197 538 HD22 ASN 68 2HD2 ASN 68 -4.201 7.180 10.245 539 H ASP 69 H ASP 69 0.259 5.157 7.865 540 HA ASP 69 HA ASP 69 1.228 4.723 5.100 541 HB2 ASP 69 1HB ASP 69 2.612 3.976 7.699 542 HB3 ASP 69 2HB ASP 69 3.207 3.617 6.084 543 H ALA 70 H ALA 70 0.874 2.807 4.215 544 HA ALA 70 HA ALA 70 -0.895 0.986 5.560 545 HB1 ALA 70 3HB ALA 70 0.170 -0.121 3.154 546 HB2 ALA 70 1HB ALA 70 -1.464 0.455 3.487 547 HB3 ALA 70 2HB ALA 70 -0.237 1.574 2.890 548 H PHE 71 H PHE 71 -0.516 -1.200 5.968 549 HA PHE 71 HA PHE 71 2.298 -2.041 6.009 550 HB2 PHE 71 1HB PHE 71 0.230 -2.424 8.176 551 HB3 PHE 71 2HB PHE 71 1.661 -3.435 8.054 552 HD1 PHE 71 HD1 PHE 71 0.785 0.200 8.120 553 HD2 PHE 71 HD2 PHE 71 3.439 -2.885 9.363 554 HE1 PHE 71 HE1 PHE 71 2.028 1.825 9.486 555 HE2 PHE 71 HE2 PHE 71 4.695 -1.264 10.719 556 HZ PHE 71 HZ PHE 71 3.988 1.093 10.785 557 H TYR 72 H TYR 72 2.636 -4.046 5.183 558 HA TYR 72 HA TYR 72 0.422 -5.522 4.039 559 HB2 TYR 72 1HB TYR 72 3.279 -6.437 4.459 560 HB3 TYR 72 2HB TYR 72 2.072 -7.211 3.444 561 HD1 TYR 72 HD1 TYR 72 1.312 -6.027 1.350 562 HD2 TYR 72 HD2 TYR 72 4.655 -4.726 3.634 563 HE1 TYR 72 HE1 TYR 72 2.154 -4.791 -0.600 564 HE2 TYR 72 HE2 TYR 72 5.498 -3.474 1.697 565 HH TYR 72 HH TYR 72 3.919 -3.654 -1.458 566 H CYS 73 H CYS 73 -0.780 -6.927 5.184 567 HA CYS 73 HA CYS 73 -0.299 -7.325 7.933 568 HB2 CYS 73 1HB CYS 73 -2.272 -8.596 7.990 569 HB3 CYS 73 2HB CYS 73 -2.550 -7.415 6.717 570 H TRP 74 H TRP 74 0.060 -9.358 9.014 571 HA TRP 74 HA TRP 74 2.392 -10.595 8.281 572 HB2 TRP 74 1HB TRP 74 1.558 -10.767 10.531 573 HB3 TRP 74 2HB TRP 74 0.142 -11.664 9.991 574 HD1 TRP 74 HD1 TRP 74 3.934 -12.295 9.354 575 HE1 TRP 74 HE1 TRP 74 4.430 -14.751 9.951 576 HE3 TRP 74 HE3 TRP 74 -0.704 -13.667 10.982 577 HZ2 TRP 74 HZ2 TRP 74 3.029 -16.974 10.991 578 HZ3 TRP 74 HZ3 TRP 74 -1.048 -15.979 11.764 579 HH2 TRP 74 HH2 TRP 74 0.782 -17.597 11.767 580 H GLU 75 H GLU 75 -0.901 -11.645 7.518 581 HA GLU 75 HA GLU 75 -0.293 -14.145 6.426 582 HB2 GLU 75 1HB GLU 75 -2.486 -12.234 5.619 583 HB3 GLU 75 2HB GLU 75 -2.421 -13.942 5.211 584 HG2 GLU 75 1HG GLU 75 -2.415 -14.401 7.693 585 HG3 GLU 75 2HG GLU 75 -2.809 -12.694 7.909 586 H CYS 76 H CYS 76 -0.679 -11.016 4.763 587 HA CYS 76 HA CYS 76 -0.074 -12.016 2.210 588 HB2 CYS 76 1HB CYS 76 -0.000 -9.212 3.321 589 HB3 CYS 76 2HB CYS 76 0.324 -9.580 1.629 590 H CYS 77 H CYS 77 1.998 -10.707 4.751 591 HA CYS 77 HA CYS 77 4.378 -10.668 3.161 592 HB2 CYS 77 1HB CYS 77 3.968 -10.787 6.154 593 HB3 CYS 77 2HB CYS 77 5.550 -10.661 5.391 594 HG CYS 77 HG CYS 77 5.062 -8.187 4.221 595 H ARG 78 H ARG 78 2.880 -13.002 5.326 596 HA ARG 78 HA ARG 78 4.845 -14.984 5.341 597 HB2 ARG 78 1HB ARG 78 2.845 -14.861 6.817 598 HB3 ARG 78 2HB ARG 78 1.844 -15.328 5.452 599 HG2 ARG 78 1HG ARG 78 3.135 -17.452 5.320 600 HG3 ARG 78 2HG ARG 78 3.949 -16.980 6.817 601 HD2 ARG 78 1HD ARG 78 1.711 -16.777 7.890 602 HD3 ARG 78 2HD ARG 78 0.997 -17.425 6.417 603 HE ARG 78 HE ARG 78 2.995 -19.179 7.351 604 HH11 ARG 78 2HH1 ARG 78 -0.263 -18.098 8.068 605 HH12 ARG 78 1HH1 ARG 78 -0.690 -19.558 8.912 606 HH21 ARG 78 2HH2 ARG 78 2.445 -21.077 8.454 607 HH22 ARG 78 1HH2 ARG 78 0.866 -21.245 9.172 608 H LEU 79 H LEU 79 2.010 -14.606 3.228 609 HA LEU 79 HA LEU 79 2.632 -16.873 1.617 610 HB2 LEU 79 1HB LEU 79 0.847 -14.533 0.939 611 HB3 LEU 79 2HB LEU 79 0.843 -16.109 0.169 612 HG LEU 79 HG LEU 79 -0.019 -15.463 2.987 613 HD11 LEU 79 1HD1 LEU 79 -1.518 -15.020 0.954 614 HD12 LEU 79 2HD1 LEU 79 -1.637 -16.776 0.843 615 HD13 LEU 79 3HD1 LEU 79 -2.182 -15.945 2.300 616 HD21 LEU 79 3HD2 LEU 79 0.332 -18.127 1.633 617 HD22 LEU 79 1HD2 LEU 79 1.097 -17.560 3.118 618 HD23 LEU 79 2HD2 LEU 79 -0.636 -17.887 3.087 619 H GLY 80 H GLY 80 3.529 -13.527 1.549 620 HA2 GLY 80 2HA GLY 80 5.412 -12.698 0.411 621 HA3 GLY 80 1HA GLY 80 5.349 -14.086 -0.666 622 H LYS 81 H LYS 81 2.888 -11.683 0.210 623 HA LYS 81 HA LYS 81 2.204 -11.333 -2.584 624 HB2 LYS 81 1HB LYS 81 1.154 -9.782 -0.216 625 HB3 LYS 81 2HB LYS 81 0.411 -9.941 -1.798 626 HG2 LYS 81 1HG LYS 81 0.774 -12.181 0.182 627 HG3 LYS 81 2HG LYS 81 -0.715 -11.275 -0.075 628 HD2 LYS 81 1HD LYS 81 0.696 -12.922 -2.165 629 HD3 LYS 81 2HD LYS 81 -0.701 -13.446 -1.226 630 HE2 LYS 81 1HE LYS 81 -2.019 -11.609 -2.173 631 HE3 LYS 81 2HE LYS 81 -0.620 -11.097 -3.117 632 HZ1 LYS 81 3HZ LYS 81 -1.007 -13.800 -3.640 633 HZ2 LYS 81 1HZ LYS 81 -1.261 -12.494 -4.692 634 HZ3 LYS 81 2HZ LYS 81 -2.535 -13.071 -3.740 635 H ASP 82 H ASP 82 3.826 -9.601 -0.011 636 HA ASP 82 HA ASP 82 3.954 -7.081 -1.266 637 HB2 ASP 82 1HB ASP 82 5.580 -6.476 0.427 638 HB3 ASP 82 2HB ASP 82 4.260 -7.374 1.159 639 H LYS 83 H LYS 83 5.961 -9.914 -1.508 640 HA LYS 83 HA LYS 83 8.313 -8.812 -2.477 641 HB2 LYS 83 1HB LYS 83 8.850 -10.963 -3.378 642 HB3 LYS 83 2HB LYS 83 7.937 -11.235 -1.899 643 HG2 LYS 83 1HG LYS 83 5.968 -11.772 -3.133 644 HG3 LYS 83 2HG LYS 83 6.727 -11.289 -4.650 645 HD2 LYS 83 1HD LYS 83 8.357 -13.117 -4.389 646 HD3 LYS 83 2HD LYS 83 7.536 -13.614 -2.906 647 HE2 LYS 83 1HE LYS 83 6.845 -14.962 -4.838 648 HE3 LYS 83 2HE LYS 83 5.498 -14.053 -4.152 649 HZ1 LYS 83 3HZ LYS 83 5.446 -12.612 -5.945 650 HZ2 LYS 83 1HZ LYS 83 5.834 -14.086 -6.697 651 HZ3 LYS 83 2HZ LYS 83 7.044 -12.938 -6.401 652 H ASP 84 H ASP 84 5.263 -9.335 -4.076 653 HA ASP 84 HA ASP 84 6.095 -9.062 -6.749 654 HB2 ASP 84 1HB ASP 84 3.453 -8.420 -5.422 655 HB3 ASP 84 2HB ASP 84 3.708 -8.384 -7.164 656 H GLY 85 H GLY 85 4.787 -6.660 -4.465 657 HA2 GLY 85 2HA GLY 85 6.493 -4.792 -4.402 658 HA3 GLY 85 1HA GLY 85 6.094 -4.587 -6.095 659 H CYS 86 H CYS 86 5.082 -2.871 -6.360 660 HA CYS 86 HA CYS 86 3.969 -1.208 -4.497 661 HB2 CYS 86 1HB CYS 86 4.865 -0.689 -6.746 662 HB3 CYS 86 2HB CYS 86 3.412 -1.365 -7.457 663 HA PRO 87 HA PRO 87 -0.131 -3.087 -4.208 664 HB2 PRO 87 1HB PRO 87 -0.645 -2.333 -1.690 665 HB3 PRO 87 2HB PRO 87 0.445 -3.670 -2.070 666 HG2 PRO 87 1HG PRO 87 1.064 -0.934 -1.140 667 HG3 PRO 87 2HG PRO 87 1.969 -2.437 -0.905 668 HD2 PRO 87 1HD PRO 87 2.477 -0.394 -2.814 669 HD3 PRO 87 2HD PRO 87 3.289 -1.965 -2.677 670 H ARG 88 H ARG 88 0.225 -0.561 -5.560 671 HA ARG 88 HA ARG 88 -1.912 1.113 -4.471 672 HB2 ARG 88 1HB ARG 88 -0.076 1.395 -6.829 673 HB3 ARG 88 2HB ARG 88 -1.568 2.319 -6.752 674 HG2 ARG 88 1HG ARG 88 -0.629 2.966 -4.372 675 HG3 ARG 88 2HG ARG 88 0.910 2.569 -5.142 676 HD2 ARG 88 1HD ARG 88 0.541 4.897 -5.482 677 HD3 ARG 88 2HD ARG 88 0.248 4.096 -7.026 678 HE ARG 88 HE ARG 88 -1.993 4.636 -6.871 679 HH11 ARG 88 2HH1 ARG 88 -0.270 5.663 -4.028 680 HH12 ARG 88 1HH1 ARG 88 -1.647 6.423 -3.291 681 HH21 ARG 88 2HH2 ARG 88 -3.837 5.636 -5.924 682 HH22 ARG 88 1HH2 ARG 88 -3.694 6.347 -4.346 683 H ILE 89 H ILE 89 -3.977 0.851 -5.051 684 HA ILE 89 HA ILE 89 -4.656 -1.208 -6.966 685 HB ILE 89 HB ILE 89 -6.526 0.645 -5.484 686 HG12 ILE 89 1HG1 ILE 89 -5.173 -0.504 -3.845 687 HG13 ILE 89 2HG1 ILE 89 -6.772 -1.242 -3.869 688 HG21 ILE 89 1HG2 ILE 89 -7.580 -1.953 -5.955 689 HG22 ILE 89 2HG2 ILE 89 -8.154 -0.400 -6.560 690 HG23 ILE 89 3HG2 ILE 89 -6.953 -1.313 -7.475 691 HD11 ILE 89 3HD1 ILE 89 -5.078 -2.939 -3.691 692 HD12 ILE 89 1HD1 ILE 89 -5.877 -3.063 -5.258 693 HD13 ILE 89 2HD1 ILE 89 -4.274 -2.337 -5.140 694 H LEU 90 H LEU 90 -5.049 -0.871 -9.043 695 HA LEU 90 HA LEU 90 -4.745 1.803 -10.037 696 HB2 LEU 90 1HB LEU 90 -5.170 -0.695 -11.663 697 HB3 LEU 90 2HB LEU 90 -4.438 0.809 -12.188 698 HG LEU 90 HG LEU 90 -3.279 -1.254 -10.332 699 HD11 LEU 90 1HD1 LEU 90 -3.156 -1.002 -13.058 700 HD12 LEU 90 2HD1 LEU 90 -1.672 -0.216 -12.520 701 HD13 LEU 90 3HD1 LEU 90 -2.010 -1.880 -12.046 702 HD21 LEU 90 3HD2 LEU 90 -2.733 1.619 -10.523 703 HD22 LEU 90 1HD2 LEU 90 -2.390 0.470 -9.229 704 HD23 LEU 90 2HD2 LEU 90 -1.312 0.577 -10.622 705 H ASN 91 H ASN 91 -7.290 -0.603 -10.031 706 HA ASN 91 HA ASN 91 -8.848 0.502 -12.040 707 HB2 ASN 91 1HB ASN 91 -10.631 -0.958 -11.301 708 HB3 ASN 91 2HB ASN 91 -9.100 -1.805 -11.176 709 HD21 ASN 91 1HD2 ASN 91 -8.491 -2.609 -9.274 710 HD22 ASN 91 2HD2 ASN 91 -9.369 -2.439 -7.798 711 H LEU 92 H LEU 92 -10.082 2.180 -12.216 712 HA LEU 92 HA LEU 92 -11.207 4.084 -11.765 713 HB2 LEU 92 1HB LEU 92 -12.238 2.142 -9.775 714 HB3 LEU 92 2HB LEU 92 -12.681 3.824 -9.560 715 HG LEU 92 HG LEU 92 -14.407 2.622 -10.791 716 HD11 LEU 92 1HD1 LEU 92 -13.753 5.046 -11.287 717 HD12 LEU 92 2HD1 LEU 92 -13.036 4.413 -12.769 718 HD13 LEU 92 3HD1 LEU 92 -14.763 4.209 -12.467 719 HD21 LEU 92 3HD2 LEU 92 -12.445 1.161 -11.908 720 HD22 LEU 92 1HD2 LEU 92 -14.067 1.300 -12.591 721 HD23 LEU 92 2HD2 LEU 92 -12.758 2.303 -13.215 722 H GLY 93 H GLY 93 -8.623 4.322 -10.987 723 HA2 GLY 93 2HA GLY 93 -8.514 5.559 -8.351 724 HA3 GLY 93 1HA GLY 93 -7.213 5.500 -9.536 725 H SER 94 H SER 94 -10.532 6.697 -9.547 726 HA SER 94 HA SER 94 -11.477 8.696 -10.080 727 HB2 SER 94 1HB SER 94 -8.670 9.814 -10.263 728 HB3 SER 94 2HB SER 94 -10.168 10.746 -10.324 729 HG SER 94 HG SER 94 -9.091 9.282 -8.143 730 H ASN 95 H ASN 95 -8.605 7.776 -11.897 731 HA ASN 95 HA ASN 95 -9.475 8.764 -14.418 732 HB2 ASN 95 1HB ASN 95 -7.103 8.200 -13.838 733 HB3 ASN 95 2HB ASN 95 -7.549 6.497 -13.837 734 HD21 ASN 95 1HD2 ASN 95 -5.914 8.563 -15.555 735 HD22 ASN 95 2HD2 ASN 95 -6.263 8.025 -17.168 736 H ARG 96 H ARG 96 -10.851 7.916 -15.807 737 HA ARG 96 HA ARG 96 -11.439 5.076 -15.725 738 HB2 ARG 96 1HB ARG 96 -13.951 5.832 -16.138 739 HB3 ARG 96 2HB ARG 96 -13.323 5.545 -14.523 740 HG2 ARG 96 1HG ARG 96 -14.584 7.558 -14.482 741 HG3 ARG 96 2HG ARG 96 -12.879 7.986 -14.330 742 HD2 ARG 96 1HD ARG 96 -14.002 9.497 -15.859 743 HD3 ARG 96 2HD ARG 96 -12.805 8.517 -16.707 744 HE ARG 96 HE ARG 96 -15.007 7.088 -17.134 745 HH11 ARG 96 2HH1 ARG 96 -14.492 10.547 -17.362 746 HH12 ARG 96 1HH1 ARG 96 -15.620 10.752 -18.675 747 HH21 ARG 96 2HH2 ARG 96 -16.463 7.347 -18.861 748 HH22 ARG 96 1HH2 ARG 96 -16.762 8.931 -19.513 749 H LEU 97 H LEU 97 -9.876 6.642 -17.367 750 HA LEU 97 HA LEU 97 -11.121 6.102 -19.947 751 HB2 LEU 97 1HB LEU 97 -9.829 8.734 -19.197 752 HB3 LEU 97 2HB LEU 97 -10.137 8.240 -20.850 753 HG LEU 97 HG LEU 97 -12.298 8.605 -18.772 754 HD11 LEU 97 1HD1 LEU 97 -12.804 10.703 -19.855 755 HD12 LEU 97 2HD1 LEU 97 -11.133 10.718 -19.290 756 HD13 LEU 97 3HD1 LEU 97 -11.482 10.466 -20.999 757 HD21 LEU 97 3HD2 LEU 97 -12.755 8.662 -21.711 758 HD22 LEU 97 1HD2 LEU 97 -12.512 7.097 -20.934 759 HD23 LEU 97 2HD2 LEU 97 -13.827 8.147 -20.410 760 H ASP 98 H ASP 98 -9.625 4.298 -19.286 761 HA ASP 98 HA ASP 98 -6.951 4.404 -18.858 762 HB2 ASP 98 1HB ASP 98 -8.458 2.401 -20.545 763 HB3 ASP 98 2HB ASP 98 -6.787 2.181 -20.043 764 H ARG 99 H ARG 99 -8.523 4.431 -22.021 765 HA ARG 99 HA ARG 99 -5.988 5.390 -23.167 766 HB2 ARG 99 1HB ARG 99 -8.252 3.911 -24.517 767 HB3 ARG 99 2HB ARG 99 -6.906 4.650 -25.375 768 HG2 ARG 99 1HG ARG 99 -6.599 2.529 -23.275 769 HG3 ARG 99 2HG ARG 99 -6.682 2.205 -25.007 770 HD2 ARG 99 1HD ARG 99 -4.687 3.515 -25.386 771 HD3 ARG 99 2HD ARG 99 -4.638 3.987 -23.690 772 HE ARG 99 HE ARG 99 -3.657 1.567 -24.826 773 HH11 ARG 99 2HH1 ARG 99 -4.966 2.986 -21.905 774 HH12 ARG 99 1HH1 ARG 99 -4.340 1.738 -20.867 775 HH21 ARG 99 2HH2 ARG 99 -2.813 -0.055 -23.474 776 HH22 ARG 99 1HH2 ARG 99 -3.123 0.005 -21.765 777 H HIS 100 H HIS 100 -5.987 7.419 -23.847 778 HA HIS 100 HA HIS 100 -8.393 8.947 -23.537 779 HB2 HIS 100 1HB HIS 100 -5.558 9.649 -24.246 780 HB3 HIS 100 2HB HIS 100 -6.848 10.837 -24.404 781 HD1 HIS 100 HD1 HIS 100 -4.994 11.832 -22.504 782 HD2 HIS 100 HD2 HIS 100 -7.751 8.937 -21.359 783 HE1 HIS 100 HE1 HIS 100 -5.176 12.017 -19.997 784 HE2 HIS 100 HE2 HIS 100 -6.995 10.385 -19.356 785 H PHE 101 H PHE 101 -9.832 9.411 -25.038 786 HA PHE 101 HA PHE 101 -9.496 8.444 -27.692 787 HB2 PHE 101 1HB PHE 101 -11.717 9.583 -28.106 788 HB3 PHE 101 2HB PHE 101 -11.709 8.373 -26.834 789 HD1 PHE 101 HD2 PHE 101 -11.894 11.979 -27.552 790 HD2 PHE 101 HD1 PHE 101 -12.164 8.958 -24.569 791 HE1 PHE 101 HE2 PHE 101 -12.912 13.599 -26.005 792 HE2 PHE 101 HE1 PHE 101 -13.194 10.568 -23.022 793 HZ PHE 101 HZ PHE 101 -13.567 12.895 -23.738 794 H GLU 102 H GLU 102 -9.640 11.670 -26.262 795 HA GLU 102 HA GLU 102 -8.856 13.691 -26.874 796 HB2 GLU 102 1HB GLU 102 -6.726 12.489 -27.170 797 HB3 GLU 102 2HB GLU 102 -7.160 12.144 -28.838 798 HG2 GLU 102 1HG GLU 102 -7.071 14.460 -29.412 799 HG3 GLU 102 2HG GLU 102 -6.849 14.917 -27.721 800 H LYS 103 H LYS 103 -9.130 11.798 -29.868 801 HA LYS 103 HA LYS 103 -10.526 13.978 -31.207 802 HB2 LYS 103 1HB LYS 103 -10.582 12.404 -33.133 803 HB3 LYS 103 2HB LYS 103 -8.953 12.717 -32.551 804 HG2 LYS 103 1HG LYS 103 -9.057 10.582 -31.288 805 HG3 LYS 103 2HG LYS 103 -10.617 10.264 -32.046 806 HD2 LYS 103 1HD LYS 103 -9.557 10.356 -34.253 807 HD3 LYS 103 2HD LYS 103 -7.996 10.653 -33.483 808 HE2 LYS 103 1HE LYS 103 -9.714 8.198 -33.140 809 HE3 LYS 103 2HE LYS 103 -8.244 8.305 -34.106 810 HZ1 LYS 103 3HZ LYS 103 -7.221 7.612 -32.267 811 HZ2 LYS 103 1HZ LYS 103 -8.551 7.956 -31.270 812 HZ3 LYS 103 2HZ LYS 103 -7.446 9.183 -31.663 813 H LYS 104 H LYS 104 -12.698 14.018 -31.570 814 HA LYS 104 HA LYS 104 -14.906 13.589 -31.281 815 HB2 LYS 104 1HB LYS 104 -13.997 10.704 -31.263 816 HB3 LYS 104 2HB LYS 104 -15.665 11.238 -31.430 817 HG2 LYS 104 1HG LYS 104 -15.164 12.298 -33.534 818 HG3 LYS 104 2HG LYS 104 -13.450 11.932 -33.347 819 HD2 LYS 104 1HD LYS 104 -14.355 10.338 -34.865 820 HD3 LYS 104 2HD LYS 104 -14.059 9.503 -33.340 821 HE2 LYS 104 1HE LYS 104 -16.749 10.668 -33.953 822 HE3 LYS 104 2HE LYS 104 -16.284 9.098 -34.602 823 HZ1 LYS 104 3HZ LYS 104 -17.093 8.331 -32.687 824 HZ2 LYS 104 1HZ LYS 104 -17.022 9.836 -31.912 825 HZ3 LYS 104 2HZ LYS 104 -15.640 8.856 -31.997 826 H LYS 105 H LYS 105 -15.834 11.140 -29.710 827 HA LYS 105 HA LYS 105 -14.875 11.759 -27.029 828 HB2 LYS 105 1HB LYS 105 -17.788 12.003 -27.815 829 HB3 LYS 105 2HB LYS 105 -17.199 11.981 -26.162 830 HG2 LYS 105 1HG LYS 105 -15.870 14.030 -26.700 831 HG3 LYS 105 2HG LYS 105 -16.707 14.083 -28.252 832 HD2 LYS 105 1HD LYS 105 -18.018 14.169 -25.535 833 HD3 LYS 105 2HD LYS 105 -17.762 15.553 -26.599 834 HE2 LYS 105 1HE LYS 105 -19.383 13.123 -27.340 835 HE3 LYS 105 2HE LYS 105 -20.069 14.602 -26.671 836 HZ1 LYS 105 3HZ LYS 105 -20.231 14.544 -29.082 837 HZ2 LYS 105 1HZ LYS 105 -18.545 14.409 -29.217 838 HZ3 LYS 105 2HZ LYS 105 -19.235 15.818 -28.575 839 H LYS 106 H LYS 106 -14.890 10.014 -25.717 840 HA LYS 106 HA LYS 106 -15.995 7.514 -26.783 841 HB2 LYS 106 1HB LYS 106 -13.575 7.707 -25.991 842 HB3 LYS 106 2HB LYS 106 -14.219 7.847 -24.363 843 HG2 LYS 106 1HG LYS 106 -15.295 5.636 -24.643 844 HG3 LYS 106 2HG LYS 106 -14.514 5.495 -26.220 845 HD2 LYS 106 1HD LYS 106 -12.315 5.718 -25.111 846 HD3 LYS 106 2HD LYS 106 -13.135 5.767 -23.549 847 HE2 LYS 106 1HE LYS 106 -12.337 3.539 -23.912 848 HE3 LYS 106 2HE LYS 106 -14.094 3.530 -24.047 849 HZ1 LYS 106 3HZ LYS 106 -12.950 2.229 -25.790 850 HZ2 LYS 106 1HZ LYS 106 -12.249 3.658 -26.367 851 HZ3 LYS 106 2HZ LYS 106 -13.931 3.463 -26.419 852 H VAL 107 H VAL 107 -17.803 9.430 -25.851 853 HA VAL 107 HA VAL 107 -18.548 8.815 -23.135 854 HB VAL 107 HB VAL 107 -20.015 10.439 -25.225 855 HG11 VAL 107 1HG1 VAL 107 -21.698 10.701 -23.791 856 HG12 VAL 107 2HG1 VAL 107 -20.990 9.398 -22.835 857 HG13 VAL 107 3HG1 VAL 107 -20.597 11.078 -22.465 858 HG21 VAL 107 3HG2 VAL 107 -19.146 12.210 -23.363 859 HG22 VAL 107 1HG2 VAL 107 -17.815 11.053 -23.376 860 HG23 VAL 107 2HG2 VAL 107 -18.302 11.855 -24.870 Start of MODEL 3 1 H1 GLY -1 1H GLY -1 -4.701 -17.790 -16.994 2 H2 GLY -1 2H GLY -1 -4.834 -18.669 -18.436 3 H3 GLY -1 3H GLY -1 -4.042 -17.168 -18.428 4 HA2 GLY -1 1HA GLY -1 -3.127 -19.763 -17.391 5 HA3 GLY -1 2HA GLY -1 -2.290 -18.636 -18.451 6 H GLY 0 H GLY 0 -2.032 -19.918 -15.561 7 HA2 GLY 0 2HA GLY 0 -0.859 -19.344 -13.676 8 HA3 GLY 0 1HA GLY 0 -0.328 -17.904 -14.534 9 H SER 1 H SER 1 -0.572 -16.432 -12.947 10 HA SER 1 HA SER 1 -1.583 -14.855 -11.689 11 HB2 SER 1 1HB SER 1 -4.150 -15.854 -12.943 12 HB3 SER 1 2HB SER 1 -3.974 -14.361 -12.018 13 HG SER 1 HG SER 1 -2.102 -14.390 -13.911 14 H SER 2 H SER 2 -3.790 -17.668 -11.640 15 HA SER 2 HA SER 2 -4.831 -18.750 -9.933 16 HB2 SER 2 1HB SER 2 -2.387 -19.415 -9.643 17 HB3 SER 2 2HB SER 2 -2.306 -18.216 -8.354 18 HG SER 2 HG SER 2 -4.218 -20.319 -8.413 19 H ARG 3 H ARG 3 -5.761 -16.280 -10.102 20 HA ARG 3 HA ARG 3 -5.317 -14.705 -7.782 21 HB2 ARG 3 1HB ARG 3 -7.513 -14.503 -9.847 22 HB3 ARG 3 2HB ARG 3 -7.139 -13.281 -8.639 23 HG2 ARG 3 1HG ARG 3 -5.451 -14.152 -10.969 24 HG3 ARG 3 2HG ARG 3 -6.162 -12.566 -10.670 25 HD2 ARG 3 1HD ARG 3 -4.717 -12.320 -8.688 26 HD3 ARG 3 2HD ARG 3 -3.978 -13.877 -9.057 27 HE ARG 3 HE ARG 3 -3.806 -12.071 -11.262 28 HH11 ARG 3 2HH1 ARG 3 -2.349 -12.955 -8.200 29 HH12 ARG 3 1HH1 ARG 3 -0.823 -12.200 -8.559 30 HH21 ARG 3 2HH2 ARG 3 -1.796 -11.119 -11.761 31 HH22 ARG 3 1HH2 ARG 3 -0.498 -11.167 -10.595 32 H HIS 4 H HIS 4 -6.206 -14.736 -5.895 33 HA HIS 4 HA HIS 4 -8.798 -16.075 -5.511 34 HB2 HIS 4 1HB HIS 4 -6.892 -17.494 -4.671 35 HB3 HIS 4 2HB HIS 4 -6.470 -16.189 -3.571 36 HD1 HIS 4 HD1 HIS 4 -8.506 -15.551 -1.825 37 HD2 HIS 4 HD2 HIS 4 -8.586 -19.301 -3.613 38 HE1 HIS 4 HE1 HIS 4 -10.052 -16.941 -0.410 39 HE2 HIS 4 HE2 HIS 4 -10.008 -19.237 -1.448 40 H GLN 5 H GLN 5 -9.028 -13.669 -6.054 41 HA GLN 5 HA GLN 5 -9.131 -12.077 -3.592 42 HB2 GLN 5 1HB GLN 5 -8.159 -10.170 -4.928 43 HB3 GLN 5 2HB GLN 5 -7.036 -11.470 -4.545 44 HG2 GLN 5 1HG GLN 5 -7.334 -12.388 -6.788 45 HG3 GLN 5 2HG GLN 5 -8.446 -11.074 -7.177 46 HE21 GLN 5 1HE2 GLN 5 -5.138 -11.860 -6.333 47 HE22 GLN 5 2HE2 GLN 5 -4.431 -10.425 -7.012 48 H PHE 6 H PHE 6 -10.330 -10.098 -3.857 49 HA PHE 6 HA PHE 6 -12.772 -10.429 -5.365 50 HB2 PHE 6 1HB PHE 6 -12.727 -9.478 -3.116 51 HB3 PHE 6 2HB PHE 6 -11.713 -8.160 -3.665 52 HD1 PHE 6 HD2 PHE 6 -15.009 -9.711 -4.497 53 HD2 PHE 6 HD1 PHE 6 -12.690 -6.166 -4.078 54 HE1 PHE 6 HE2 PHE 6 -17.012 -8.359 -4.964 55 HE2 PHE 6 HE1 PHE 6 -14.698 -4.800 -4.527 56 HZ PHE 6 HZ PHE 6 -16.860 -5.900 -4.976 57 H ASP 7 H ASP 7 -10.406 -10.310 -6.892 58 HA ASP 7 HA ASP 7 -9.482 -9.398 -8.745 59 HB2 ASP 7 1HB ASP 7 -12.189 -8.088 -8.836 60 HB3 ASP 7 2HB ASP 7 -10.963 -7.745 -10.052 61 H LEU 8 H LEU 8 -8.380 -8.430 -6.606 62 HA LEU 8 HA LEU 8 -8.408 -5.536 -6.569 63 HB2 LEU 8 1HB LEU 8 -6.517 -7.391 -5.172 64 HB3 LEU 8 2HB LEU 8 -6.811 -5.702 -4.817 65 HG LEU 8 HG LEU 8 -8.319 -8.098 -4.018 66 HD11 LEU 8 1HD1 LEU 8 -7.480 -5.481 -2.952 67 HD12 LEU 8 2HD1 LEU 8 -8.834 -6.315 -2.186 68 HD13 LEU 8 3HD1 LEU 8 -7.254 -7.097 -2.279 69 HD21 LEU 8 3HD2 LEU 8 -9.665 -5.604 -4.965 70 HD22 LEU 8 1HD2 LEU 8 -10.153 -7.289 -5.163 71 HD23 LEU 8 2HD2 LEU 8 -10.324 -6.500 -3.595 72 H ILE 9 H ILE 9 -7.797 -5.460 -8.894 73 HA ILE 9 HA ILE 9 -5.350 -6.541 -9.776 74 HB ILE 9 HB ILE 9 -7.221 -4.522 -11.000 75 HG12 ILE 9 1HG1 ILE 9 -7.540 -6.300 -12.667 76 HG13 ILE 9 2HG1 ILE 9 -6.345 -7.297 -11.852 77 HG21 ILE 9 1HG2 ILE 9 -5.865 -4.512 -13.026 78 HG22 ILE 9 2HG2 ILE 9 -4.936 -3.883 -11.665 79 HG23 ILE 9 3HG2 ILE 9 -4.655 -5.527 -12.239 80 HD11 ILE 9 3HD1 ILE 9 -8.968 -6.414 -10.671 81 HD12 ILE 9 1HD1 ILE 9 -8.634 -8.000 -11.370 82 HD13 ILE 9 2HD1 ILE 9 -7.781 -7.480 -9.913 83 H MET 10 H MET 10 -4.032 -5.862 -8.063 84 HA MET 10 HA MET 10 -3.433 -3.093 -7.744 85 HB2 MET 10 1HB MET 10 -1.472 -4.106 -6.327 86 HB3 MET 10 2HB MET 10 -3.128 -4.153 -5.752 87 HG2 MET 10 1HG MET 10 -3.344 -6.455 -6.398 88 HG3 MET 10 2HG MET 10 -1.753 -6.424 -7.160 89 HE1 MET 10 3HE MET 10 -1.842 -5.379 -2.705 90 HE2 MET 10 1HE MET 10 -2.224 -4.332 -4.070 91 HE3 MET 10 2HE MET 10 -3.386 -5.552 -3.543 92 H CYS 11 H CYS 11 -1.475 -2.077 -7.983 93 HA CYS 11 HA CYS 11 -0.512 -2.060 -10.535 94 HB2 CYS 11 1HB CYS 11 -0.420 -0.214 -8.926 95 HB3 CYS 11 2HB CYS 11 0.831 -1.054 -8.023 96 H LEU 12 H LEU 12 1.201 -3.326 -7.684 97 HA LEU 12 HA LEU 12 3.062 -4.561 -7.429 98 HB2 LEU 12 1HB LEU 12 1.155 -5.943 -9.093 99 HB3 LEU 12 2HB LEU 12 2.789 -6.544 -9.330 100 HG LEU 12 HG LEU 12 3.019 -7.075 -7.017 101 HD11 LEU 12 1HD1 LEU 12 1.730 -6.335 -5.305 102 HD12 LEU 12 2HD1 LEU 12 1.521 -4.983 -6.418 103 HD13 LEU 12 3HD1 LEU 12 0.276 -6.228 -6.297 104 HD21 LEU 12 3HD2 LEU 12 1.867 -8.754 -8.267 105 HD22 LEU 12 1HD2 LEU 12 1.115 -8.626 -6.678 106 HD23 LEU 12 2HD2 LEU 12 0.336 -7.897 -8.083 107 H LYS 13 H LYS 13 3.652 -2.374 -9.067 108 HA LYS 13 HA LYS 13 5.592 -3.332 -11.010 109 HB2 LYS 13 1HB LYS 13 4.704 -0.662 -10.038 110 HB3 LYS 13 2HB LYS 13 6.342 -0.805 -10.657 111 HG2 LYS 13 1HG LYS 13 5.359 -1.791 -12.738 112 HG3 LYS 13 2HG LYS 13 3.770 -1.338 -12.108 113 HD2 LYS 13 1HD LYS 13 4.318 0.968 -12.135 114 HD3 LYS 13 2HD LYS 13 6.030 0.634 -12.416 115 HE2 LYS 13 1HE LYS 13 5.347 -0.424 -14.577 116 HE3 LYS 13 2HE LYS 13 3.732 0.207 -14.293 117 HZ1 LYS 13 3HZ LYS 13 6.137 1.928 -14.388 118 HZ2 LYS 13 1HZ LYS 13 4.510 2.413 -14.426 119 HZ3 LYS 13 2HZ LYS 13 5.186 1.599 -15.749 120 H GLN 14 H GLN 14 7.861 -2.230 -10.606 121 HA GLN 14 HA GLN 14 8.923 -3.476 -8.254 122 HB2 GLN 14 1HB GLN 14 10.125 -3.229 -10.459 123 HB3 GLN 14 2HB GLN 14 10.308 -1.520 -10.092 124 HG2 GLN 14 1HG GLN 14 12.320 -2.760 -9.561 125 HG3 GLN 14 2HG GLN 14 11.596 -2.067 -8.111 126 HE21 GLN 14 1HE2 GLN 14 12.055 -3.416 -6.505 127 HE22 GLN 14 2HE2 GLN 14 11.784 -5.128 -6.524 128 HA PRO 15 HA PRO 15 7.770 -0.081 -5.623 129 HB2 PRO 15 1HB PRO 15 9.516 -1.489 -3.704 130 HB3 PRO 15 2HB PRO 15 7.824 -1.011 -3.542 131 HG2 PRO 15 1HG PRO 15 8.497 -3.560 -3.920 132 HG3 PRO 15 2HG PRO 15 7.056 -2.870 -4.691 133 HD2 PRO 15 1HD PRO 15 9.740 -3.462 -5.869 134 HD3 PRO 15 2HD PRO 15 8.127 -3.674 -6.580 135 H GLY 16 H GLY 16 8.631 1.787 -4.896 136 HA2 GLY 16 2HA GLY 16 11.501 2.212 -5.377 137 HA3 GLY 16 1HA GLY 16 10.287 3.476 -5.220 138 H VAL 17 H VAL 17 11.033 4.638 -3.531 139 HA VAL 17 HA VAL 17 11.713 3.184 -1.070 140 HB VAL 17 HB VAL 17 12.803 5.256 -0.307 141 HG11 VAL 17 1HG1 VAL 17 13.820 4.504 -3.036 142 HG12 VAL 17 2HG1 VAL 17 14.746 5.044 -1.637 143 HG13 VAL 17 3HG1 VAL 17 13.976 3.456 -1.627 144 HG21 VAL 17 3HG2 VAL 17 13.241 7.023 -2.049 145 HG22 VAL 17 1HG2 VAL 17 11.958 6.286 -3.008 146 HG23 VAL 17 2HG2 VAL 17 11.593 6.965 -1.422 147 H GLN 18 H GLN 18 9.389 5.340 -2.434 148 HA GLN 18 HA GLN 18 8.471 6.466 0.018 149 HB2 GLN 18 1HB GLN 18 7.412 6.398 -2.782 150 HB3 GLN 18 2HB GLN 18 6.408 7.004 -1.475 151 HG2 GLN 18 1HG GLN 18 8.242 8.608 -0.922 152 HG3 GLN 18 2HG GLN 18 9.070 8.067 -2.382 153 HE21 GLN 18 1HE2 GLN 18 8.819 9.393 -4.011 154 HE22 GLN 18 2HE2 GLN 18 7.401 10.325 -4.365 155 H THR 19 H THR 19 6.842 5.909 1.332 156 HA THR 19 HA THR 19 5.811 3.190 1.093 157 HB THR 19 HB THR 19 5.564 5.153 3.390 158 HG1 THR 19 HG1 THR 19 7.735 4.502 3.036 159 HG21 THR 19 1HG2 THR 19 5.244 2.822 4.578 160 HG22 THR 19 2HG2 THR 19 4.682 2.329 2.981 161 HG23 THR 19 3HG2 THR 19 3.877 3.649 3.832 162 H GLY 20 H GLY 20 3.693 2.693 0.811 163 HA2 GLY 20 2HA GLY 20 2.015 4.595 -0.449 164 HA3 GLY 20 1HA GLY 20 1.551 2.969 0.033 165 H LEU 21 H LEU 21 0.476 5.889 0.282 166 HA LEU 21 HA LEU 21 0.020 5.982 3.155 167 HB2 LEU 21 1HB LEU 21 -0.581 7.935 0.939 168 HB3 LEU 21 2HB LEU 21 -1.064 8.181 2.607 169 HG LEU 21 HG LEU 21 1.786 7.912 1.645 170 HD11 LEU 21 1HD1 LEU 21 0.525 10.005 0.999 171 HD12 LEU 21 2HD1 LEU 21 0.413 10.357 2.724 172 HD13 LEU 21 3HD1 LEU 21 1.992 10.241 1.949 173 HD21 LEU 21 3HD2 LEU 21 2.353 8.614 3.926 174 HD22 LEU 21 1HD2 LEU 21 0.644 8.557 4.362 175 HD23 LEU 21 2HD2 LEU 21 1.488 7.077 3.909 176 H LEU 22 H LEU 22 -1.944 5.865 4.115 177 HA LEU 22 HA LEU 22 -4.222 5.034 2.441 178 HB2 LEU 22 1HB LEU 22 -3.620 4.409 5.332 179 HB3 LEU 22 2HB LEU 22 -5.119 4.000 4.524 180 HG LEU 22 HG LEU 22 -2.384 2.905 3.929 181 HD11 LEU 22 1HD1 LEU 22 -3.477 1.990 5.920 182 HD12 LEU 22 2HD1 LEU 22 -4.904 1.601 4.960 183 HD13 LEU 22 3HD1 LEU 22 -3.372 0.790 4.633 184 HD21 LEU 22 3HD2 LEU 22 -3.129 2.601 1.849 185 HD22 LEU 22 1HD2 LEU 22 -4.247 1.421 2.532 186 HD23 LEU 22 2HD2 LEU 22 -4.768 3.088 2.284 187 H CYS 23 H CYS 23 -6.137 6.053 2.706 188 HA CYS 23 HA CYS 23 -6.205 8.507 4.257 189 HB2 CYS 23 1HB CYS 23 -8.213 9.012 3.177 190 HB3 CYS 23 2HB CYS 23 -7.349 8.113 1.937 191 H GLU 24 H GLU 24 -7.784 8.782 5.975 192 HA GLU 24 HA GLU 24 -7.681 6.774 7.868 193 HB2 GLU 24 1HB GLU 24 -9.757 8.962 7.686 194 HB3 GLU 24 2HB GLU 24 -9.328 8.058 9.134 195 HG2 GLU 24 1HG GLU 24 -7.026 8.947 8.951 196 HG3 GLU 24 2HG GLU 24 -7.557 9.939 7.593 197 H LYS 25 H LYS 25 -9.962 7.166 5.293 198 HA LYS 25 HA LYS 25 -12.036 5.534 6.348 199 HB2 LYS 25 1HB LYS 25 -11.414 6.187 3.467 200 HB3 LYS 25 2HB LYS 25 -12.934 5.544 4.073 201 HG2 LYS 25 1HG LYS 25 -11.763 8.215 4.819 202 HG3 LYS 25 2HG LYS 25 -13.029 7.954 3.618 203 HD2 LYS 25 1HD LYS 25 -14.461 6.984 5.370 204 HD3 LYS 25 2HD LYS 25 -13.198 7.306 6.559 205 HE2 LYS 25 1HE LYS 25 -14.945 9.030 6.588 206 HE3 LYS 25 2HE LYS 25 -13.374 9.690 6.137 207 HZ1 LYS 25 3HZ LYS 25 -15.100 8.810 3.960 208 HZ2 LYS 25 1HZ LYS 25 -14.060 10.146 4.052 209 HZ3 LYS 25 2HZ LYS 25 -15.584 10.206 4.792 210 H CYS 26 H CYS 26 -9.058 4.812 4.635 211 HA CYS 26 HA CYS 26 -9.857 1.969 4.602 212 HB2 CYS 26 1HB CYS 26 -7.675 3.083 2.847 213 HB3 CYS 26 2HB CYS 26 -8.527 1.555 2.690 214 H ASP 27 H ASP 27 -8.476 3.875 6.551 215 HA ASP 27 HA ASP 27 -5.754 3.225 6.695 216 HB2 ASP 27 1HB ASP 27 -6.814 5.191 7.784 217 HB3 ASP 27 2HB ASP 27 -7.563 4.106 8.948 218 H GLY 28 H GLY 28 -4.723 1.520 7.416 219 HA2 GLY 28 2HA GLY 28 -4.283 -0.179 9.015 220 HA3 GLY 28 1HA GLY 28 -5.994 -0.216 9.409 221 H LYS 29 H LYS 29 -6.531 -0.194 6.419 222 HA LYS 29 HA LYS 29 -6.821 -3.005 6.122 223 HB2 LYS 29 1HB LYS 29 -7.121 -0.745 4.138 224 HB3 LYS 29 2HB LYS 29 -7.548 -2.412 3.800 225 HG2 LYS 29 1HG LYS 29 -9.258 -2.375 5.468 226 HG3 LYS 29 2HG LYS 29 -8.781 -0.749 5.961 227 HD2 LYS 29 1HD LYS 29 -9.482 0.189 3.902 228 HD3 LYS 29 2HD LYS 29 -9.651 -1.404 3.159 229 HE2 LYS 29 1HE LYS 29 -11.247 -0.702 5.570 230 HE3 LYS 29 2HE LYS 29 -11.760 -0.121 3.987 231 HZ1 LYS 29 3HZ LYS 29 -12.358 -2.540 5.073 232 HZ2 LYS 29 1HZ LYS 29 -11.093 -2.915 4.002 233 HZ3 LYS 29 2HZ LYS 29 -12.487 -2.136 3.431 234 H CYS 30 H CYS 30 -5.349 -4.405 5.495 235 HA CYS 30 HA CYS 30 -2.861 -3.687 4.259 236 HB2 CYS 30 1HB CYS 30 -2.825 -5.660 5.565 237 HB3 CYS 30 2HB CYS 30 -4.302 -6.269 4.833 238 HA PRO 31 HA PRO 31 -4.913 -2.904 0.358 239 HB2 PRO 31 1HB PRO 31 -2.521 -2.830 -1.096 240 HB3 PRO 31 2HB PRO 31 -3.324 -1.457 -0.332 241 HG2 PRO 31 1HG PRO 31 -1.049 -3.109 0.650 242 HG3 PRO 31 2HG PRO 31 -1.349 -1.373 0.851 243 HD2 PRO 31 1HD PRO 31 -1.746 -3.090 2.860 244 HD3 PRO 31 2HD PRO 31 -2.832 -1.706 2.605 245 H ILE 32 H ILE 32 -2.586 -5.462 0.833 246 HA ILE 32 HA ILE 32 -2.852 -6.707 -1.672 247 HB ILE 32 HB ILE 32 -2.132 -8.051 0.933 248 HG12 ILE 32 1HG1 ILE 32 -0.801 -5.922 0.206 249 HG13 ILE 32 2HG1 ILE 32 0.081 -7.363 0.696 250 HG21 ILE 32 1HG2 ILE 32 -2.243 -9.831 -0.445 251 HG22 ILE 32 2HG2 ILE 32 -2.095 -8.849 -1.902 252 HG23 ILE 32 3HG2 ILE 32 -0.656 -9.266 -0.970 253 HD11 ILE 32 3HD1 ILE 32 -0.530 -7.038 -2.185 254 HD12 ILE 32 1HD1 ILE 32 0.701 -5.994 -1.473 255 HD13 ILE 32 2HD1 ILE 32 0.879 -7.749 -1.393 256 H CYS 33 H CYS 33 -4.697 -7.081 1.329 257 HA CYS 33 HA CYS 33 -6.417 -9.004 -0.093 258 HB2 CYS 33 1HB CYS 33 -6.600 -10.328 1.946 259 HB3 CYS 33 2HB CYS 33 -4.917 -10.175 1.458 260 H ASP 34 H ASP 34 -6.267 -6.200 1.823 261 HA ASP 34 HA ASP 34 -7.815 -4.794 2.699 262 HB2 ASP 34 1HB ASP 34 -9.162 -5.171 0.664 263 HB3 ASP 34 2HB ASP 34 -9.895 -6.582 1.416 264 H SER 35 H SER 35 -7.079 -5.494 4.708 265 HA SER 35 HA SER 35 -9.068 -6.680 6.391 266 HB2 SER 35 1HB SER 35 -8.139 -8.727 5.465 267 HB3 SER 35 2HB SER 35 -6.502 -8.177 5.803 268 HG SER 35 HG SER 35 -8.493 -8.682 7.774 269 H TYR 36 H TYR 36 -8.831 -5.990 8.448 270 HA TYR 36 HA TYR 36 -6.673 -4.135 9.017 271 HB2 TYR 36 1HB TYR 36 -9.139 -4.958 10.552 272 HB3 TYR 36 2HB TYR 36 -7.924 -3.883 11.225 273 HD1 TYR 36 HD1 TYR 36 -9.840 -4.146 8.007 274 HD2 TYR 36 HD2 TYR 36 -8.484 -1.669 11.187 275 HE1 TYR 36 HE1 TYR 36 -10.991 -2.223 6.995 276 HE2 TYR 36 HE2 TYR 36 -9.624 0.263 10.179 277 HH TYR 36 HH TYR 36 -10.618 1.038 8.298 278 H VAL 37 H VAL 37 -6.569 -7.276 8.985 279 HA VAL 37 HA VAL 37 -5.926 -8.076 11.606 280 HB VAL 37 HB VAL 37 -6.550 -9.575 9.661 281 HG11 VAL 37 1HG1 VAL 37 -4.824 -8.576 8.128 282 HG12 VAL 37 2HG1 VAL 37 -3.621 -9.519 9.007 283 HG13 VAL 37 3HG1 VAL 37 -4.924 -10.337 8.142 284 HG21 VAL 37 3HG2 VAL 37 -4.071 -10.566 11.017 285 HG22 VAL 37 1HG2 VAL 37 -5.562 -10.283 11.917 286 HG23 VAL 37 2HG2 VAL 37 -5.539 -11.446 10.591 287 H ARG 38 H ARG 38 -3.828 -8.814 12.360 288 HA ARG 38 HA ARG 38 -2.047 -6.900 12.815 289 HB2 ARG 38 1HB ARG 38 -0.382 -8.642 13.353 290 HB3 ARG 38 2HB ARG 38 -1.985 -9.027 13.966 291 HG2 ARG 38 1HG ARG 38 -2.339 -10.566 12.113 292 HG3 ARG 38 2HG ARG 38 -0.754 -10.156 11.460 293 HD2 ARG 38 1HD ARG 38 -1.290 -11.441 14.133 294 HD3 ARG 38 2HD ARG 38 -0.703 -12.265 12.689 295 HE ARG 38 HE ARG 38 1.006 -10.099 13.380 296 HH11 ARG 38 2HH1 ARG 38 0.168 -13.389 14.249 297 HH12 ARG 38 1HH1 ARG 38 1.684 -13.697 15.045 298 HH21 ARG 38 2HH2 ARG 38 3.025 -10.523 14.387 299 HH22 ARG 38 1HH2 ARG 38 3.322 -12.098 15.079 300 HA PRO 39 HA PRO 39 0.113 -6.098 9.018 301 HB2 PRO 39 1HB PRO 39 1.740 -4.181 9.953 302 HB3 PRO 39 2HB PRO 39 0.001 -3.916 9.773 303 HG2 PRO 39 1HG PRO 39 1.563 -4.585 12.240 304 HG3 PRO 39 2HG PRO 39 0.268 -3.394 12.028 305 HD2 PRO 39 1HD PRO 39 -0.117 -5.870 13.100 306 HD3 PRO 39 2HD PRO 39 -1.378 -4.965 12.239 307 H LYS 40 H LYS 40 2.753 -5.309 8.889 308 HA LYS 40 HA LYS 40 4.535 -6.891 10.406 309 HB2 LYS 40 1HB LYS 40 3.233 -8.360 8.426 310 HB3 LYS 40 2HB LYS 40 4.791 -7.965 7.713 311 HG2 LYS 40 1HG LYS 40 4.304 -9.403 10.313 312 HG3 LYS 40 2HG LYS 40 4.938 -10.087 8.816 313 HD2 LYS 40 1HD LYS 40 6.925 -8.711 8.991 314 HD3 LYS 40 2HD LYS 40 6.283 -7.929 10.438 315 HE2 LYS 40 1HE LYS 40 6.235 -10.186 11.523 316 HE3 LYS 40 2HE LYS 40 7.090 -10.814 10.114 317 HZ1 LYS 40 3HZ LYS 40 8.261 -8.474 11.388 318 HZ2 LYS 40 1HZ LYS 40 9.013 -9.843 10.736 319 HZ3 LYS 40 2HZ LYS 40 8.323 -9.914 12.281 320 H ARG 41 H ARG 41 4.094 -5.566 7.123 321 HA ARG 41 HA ARG 41 6.636 -4.109 7.462 322 HB2 ARG 41 1HB ARG 41 5.783 -5.831 5.142 323 HB3 ARG 41 2HB ARG 41 6.954 -4.538 4.938 324 HG2 ARG 41 1HG ARG 41 8.407 -5.616 6.600 325 HG3 ARG 41 2HG ARG 41 7.238 -6.934 6.742 326 HD2 ARG 41 1HD ARG 41 7.573 -7.579 4.475 327 HD3 ARG 41 2HD ARG 41 8.510 -6.126 4.134 328 HE ARG 41 HE ARG 41 9.790 -7.567 6.177 329 HH11 ARG 41 2HH1 ARG 41 9.021 -7.913 2.763 330 HH12 ARG 41 1HH1 ARG 41 10.498 -8.754 2.394 331 HH21 ARG 41 2HH2 ARG 41 11.683 -8.736 5.699 332 HH22 ARG 41 1HH2 ARG 41 11.988 -9.276 4.072 333 H LYS 42 H LYS 42 6.772 -2.112 6.449 334 HA LYS 42 HA LYS 42 4.313 -0.759 5.854 335 HB2 LYS 42 1HB LYS 42 7.181 0.085 5.382 336 HB3 LYS 42 2HB LYS 42 5.780 1.126 5.183 337 HG2 LYS 42 1HG LYS 42 5.271 0.723 7.610 338 HG3 LYS 42 2HG LYS 42 6.851 -0.056 7.724 339 HD2 LYS 42 1HD LYS 42 7.917 2.001 6.933 340 HD3 LYS 42 2HD LYS 42 6.336 2.780 6.836 341 HE2 LYS 42 1HE LYS 42 7.360 3.465 8.875 342 HE3 LYS 42 2HE LYS 42 6.061 2.347 9.277 343 HZ1 LYS 42 3HZ LYS 42 8.802 1.325 8.954 344 HZ2 LYS 42 1HZ LYS 42 7.533 0.714 9.901 345 HZ3 LYS 42 2HZ LYS 42 8.363 2.105 10.395 346 H VAL 43 H VAL 43 3.464 -0.225 3.874 347 HA VAL 43 HA VAL 43 4.169 -1.942 1.710 348 HB VAL 43 HB VAL 43 2.375 -0.794 0.461 349 HG11 VAL 43 1HG1 VAL 43 1.174 -1.284 3.122 350 HG12 VAL 43 2HG1 VAL 43 0.732 -1.930 1.541 351 HG13 VAL 43 3HG1 VAL 43 2.121 -2.588 2.407 352 HG21 VAL 43 3HG2 VAL 43 1.445 1.151 1.062 353 HG22 VAL 43 1HG2 VAL 43 1.425 0.723 2.773 354 HG23 VAL 43 2HG2 VAL 43 2.898 1.358 2.040 355 H ARG 44 H ARG 44 5.469 -1.602 0.028 356 HA ARG 44 HA ARG 44 6.560 1.105 -0.311 357 HB2 ARG 44 1HB ARG 44 7.615 -1.555 -1.279 358 HB3 ARG 44 2HB ARG 44 8.313 -0.004 -1.715 359 HG2 ARG 44 1HG ARG 44 9.682 -0.696 -0.004 360 HG3 ARG 44 2HG ARG 44 8.533 0.340 0.842 361 HD2 ARG 44 1HD ARG 44 8.917 -1.714 2.086 362 HD3 ARG 44 2HD ARG 44 7.251 -1.631 1.516 363 HE ARG 44 HE ARG 44 8.767 -3.040 -0.377 364 HH11 ARG 44 2HH1 ARG 44 7.637 -3.398 2.914 365 HH12 ARG 44 1HH1 ARG 44 7.532 -5.129 2.812 366 HH21 ARG 44 2HH2 ARG 44 8.650 -5.306 -0.505 367 HH22 ARG 44 1HH2 ARG 44 8.097 -6.226 0.869 368 H VAL 45 H VAL 45 5.624 2.265 -1.842 369 HA VAL 45 HA VAL 45 4.197 0.937 -4.004 370 HB VAL 45 HB VAL 45 3.637 3.308 -4.719 371 HG11 VAL 45 1HG1 VAL 45 2.412 3.362 -2.169 372 HG12 VAL 45 2HG1 VAL 45 1.737 2.801 -3.697 373 HG13 VAL 45 3HG1 VAL 45 2.591 1.673 -2.644 374 HG21 VAL 45 3HG2 VAL 45 5.403 3.869 -2.478 375 HG22 VAL 45 1HG2 VAL 45 4.838 4.931 -3.768 376 HG23 VAL 45 2HG2 VAL 45 3.840 4.676 -2.335 377 H CYS 46 H CYS 46 4.703 1.170 -6.163 378 HA CYS 46 HA CYS 46 7.447 1.105 -6.732 379 HB2 CYS 46 1HB CYS 46 6.858 0.582 -8.933 380 HB3 CYS 46 2HB CYS 46 5.507 -0.027 -7.984 381 H GLU 47 H GLU 47 8.574 2.386 -8.326 382 HA GLU 47 HA GLU 47 8.861 5.036 -7.715 383 HB2 GLU 47 1HB GLU 47 10.503 3.835 -9.027 384 HB3 GLU 47 2HB GLU 47 9.374 3.669 -10.365 385 HG2 GLU 47 1HG GLU 47 9.360 6.152 -10.565 386 HG3 GLU 47 2HG GLU 47 10.630 6.204 -9.342 387 H ASN 48 H ASN 48 6.819 3.686 -10.327 388 HA ASN 48 HA ASN 48 6.063 6.143 -11.408 389 HB2 ASN 48 1HB ASN 48 4.791 3.426 -11.448 390 HB3 ASN 48 2HB ASN 48 4.025 4.801 -12.238 391 HD21 ASN 48 1HD2 ASN 48 4.514 5.089 -14.274 392 HD22 ASN 48 2HD2 ASN 48 5.969 4.562 -15.066 393 H CYS 49 H CYS 49 4.636 4.331 -8.750 394 HA CYS 49 HA CYS 49 2.542 6.349 -8.447 395 HB2 CYS 49 1HB CYS 49 3.085 3.904 -6.772 396 HB3 CYS 49 2HB CYS 49 1.650 4.918 -6.700 397 H SER 50 H SER 50 5.104 7.335 -8.135 398 HA SER 50 HA SER 50 5.001 8.278 -5.407 399 HB2 SER 50 1HB SER 50 7.426 6.803 -6.446 400 HB3 SER 50 2HB SER 50 7.366 7.715 -4.943 401 HG SER 50 HG SER 50 5.315 5.942 -5.142 402 H PHE 51 H PHE 51 6.670 8.349 -8.542 403 HA PHE 51 HA PHE 51 8.217 10.588 -8.049 404 HB2 PHE 51 1HB PHE 51 8.397 10.875 -10.497 405 HB3 PHE 51 2HB PHE 51 8.681 9.229 -9.966 406 HD1 PHE 51 HD1 PHE 51 5.560 11.123 -10.855 407 HD2 PHE 51 HD2 PHE 51 8.075 7.767 -11.587 408 HE1 PHE 51 HE1 PHE 51 3.982 10.316 -12.558 409 HE2 PHE 51 HE2 PHE 51 6.494 6.953 -13.284 410 HZ PHE 51 HZ PHE 51 4.444 8.226 -13.775 411 H GLY 52 H GLY 52 4.823 10.465 -8.626 412 HA2 GLY 52 2HA GLY 52 4.482 13.156 -7.888 413 HA3 GLY 52 1HA GLY 52 4.367 13.031 -9.635 414 H LYS 53 H LYS 53 2.444 13.724 -7.552 415 HA LYS 53 HA LYS 53 0.316 13.527 -6.939 416 HB2 LYS 53 1HB LYS 53 -1.311 12.988 -8.705 417 HB3 LYS 53 2HB LYS 53 -0.083 14.134 -9.206 418 HG2 LYS 53 1HG LYS 53 1.008 12.488 -10.537 419 HG3 LYS 53 2HG LYS 53 -0.003 11.204 -9.872 420 HD2 LYS 53 1HD LYS 53 -1.974 12.215 -10.895 421 HD3 LYS 53 2HD LYS 53 -0.982 13.525 -11.534 422 HE2 LYS 53 1HE LYS 53 0.213 12.016 -12.953 423 HE3 LYS 53 2HE LYS 53 -0.555 10.618 -12.202 424 HZ1 LYS 53 3HZ LYS 53 -2.264 10.789 -13.580 425 HZ2 LYS 53 1HZ LYS 53 -1.428 11.999 -14.427 426 HZ3 LYS 53 2HZ LYS 53 -2.508 12.425 -13.192 427 H GLN 54 H GLN 54 0.898 10.415 -8.596 428 HA GLN 54 HA GLN 54 -1.135 9.135 -7.057 429 HB2 GLN 54 1HB GLN 54 -0.072 8.649 -9.458 430 HB3 GLN 54 2HB GLN 54 0.909 7.542 -8.510 431 HG2 GLN 54 1HG GLN 54 -0.987 6.387 -9.429 432 HG3 GLN 54 2HG GLN 54 -1.126 6.468 -7.674 433 HE21 GLN 54 1HE2 GLN 54 -2.616 7.098 -10.632 434 HE22 GLN 54 2HE2 GLN 54 -3.989 7.986 -10.035 435 H ALA 55 H ALA 55 0.622 10.205 -5.228 436 HA ALA 55 HA ALA 55 1.672 7.762 -3.983 437 HB1 ALA 55 3HB ALA 55 3.224 10.206 -3.440 438 HB2 ALA 55 1HB ALA 55 3.760 8.540 -3.657 439 HB3 ALA 55 2HB ALA 55 3.386 9.536 -5.064 440 H LYS 56 H LYS 56 0.799 11.166 -3.522 441 HA LYS 56 HA LYS 56 0.631 11.063 -0.714 442 HB2 LYS 56 1HB LYS 56 -0.800 12.917 -2.624 443 HB3 LYS 56 2HB LYS 56 -0.626 13.171 -0.895 444 HG2 LYS 56 1HG LYS 56 1.788 13.342 -1.139 445 HG3 LYS 56 2HG LYS 56 1.643 13.040 -2.872 446 HD2 LYS 56 1HD LYS 56 0.375 15.364 -1.425 447 HD3 LYS 56 2HD LYS 56 1.907 15.441 -2.297 448 HE2 LYS 56 1HE LYS 56 0.860 15.039 -4.372 449 HE3 LYS 56 2HE LYS 56 -0.639 14.522 -3.601 450 HZ1 LYS 56 3HZ LYS 56 0.445 17.281 -3.446 451 HZ2 LYS 56 1HZ LYS 56 -1.060 16.739 -2.882 452 HZ3 LYS 56 2HZ LYS 56 -0.745 16.784 -4.545 453 H ASN 57 H ASN 57 -1.879 10.775 -3.219 454 HA ASN 57 HA ASN 57 -4.003 10.529 -1.396 455 HB2 ASN 57 1HB ASN 57 -5.365 9.767 -3.250 456 HB3 ASN 57 2HB ASN 57 -4.376 11.120 -3.758 457 HD21 ASN 57 1HD2 ASN 57 -3.069 10.886 -5.460 458 HD22 ASN 57 2HD2 ASN 57 -2.861 9.403 -6.333 459 H CYS 58 H CYS 58 -5.185 8.814 -0.757 460 HA CYS 58 HA CYS 58 -3.876 6.654 0.323 461 HB2 CYS 58 1HB CYS 58 -5.982 7.401 1.131 462 HB3 CYS 58 2HB CYS 58 -6.750 7.133 -0.423 463 H ILE 59 H ILE 59 -3.099 4.842 -0.455 464 HA ILE 59 HA ILE 59 -3.082 4.286 -3.190 465 HB ILE 59 HB ILE 59 -1.968 2.147 -2.549 466 HG12 ILE 59 1HG1 ILE 59 -2.575 3.161 0.239 467 HG13 ILE 59 2HG1 ILE 59 -3.080 1.631 -0.468 468 HG21 ILE 59 1HG2 ILE 59 -0.282 3.587 -2.773 469 HG22 ILE 59 2HG2 ILE 59 -1.158 4.868 -1.932 470 HG23 ILE 59 3HG2 ILE 59 -0.261 3.659 -1.010 471 HD11 ILE 59 3HD1 ILE 59 -0.299 1.623 -0.637 472 HD12 ILE 59 1HD1 ILE 59 -0.669 2.289 0.959 473 HD13 ILE 59 2HD1 ILE 59 -1.309 0.710 0.483 474 H ILE 60 H ILE 60 -5.241 3.168 -0.708 475 HA ILE 60 HA ILE 60 -6.154 0.911 -2.214 476 HB ILE 60 HB ILE 60 -7.225 2.162 0.310 477 HG12 ILE 60 1HG1 ILE 60 -5.614 -0.338 -0.249 478 HG13 ILE 60 2HG1 ILE 60 -5.037 1.119 0.552 479 HG21 ILE 60 1HG2 ILE 60 -9.003 1.010 -0.993 480 HG22 ILE 60 2HG2 ILE 60 -8.041 -0.467 -0.929 481 HG23 ILE 60 3HG2 ILE 60 -8.662 0.247 0.560 482 HD11 ILE 60 3HD1 ILE 60 -7.011 -0.894 1.576 483 HD12 ILE 60 1HD1 ILE 60 -5.428 -0.482 2.236 484 HD13 ILE 60 2HD1 ILE 60 -6.754 0.677 2.335 485 H CYS 61 H CYS 61 -7.481 4.180 -1.598 486 HA CYS 61 HA CYS 61 -9.579 3.444 -3.516 487 HB2 CYS 61 1HB CYS 61 -11.036 5.119 -2.532 488 HB3 CYS 61 2HB CYS 61 -10.502 3.962 -1.314 489 H ASN 62 H ASN 62 -6.767 5.038 -3.475 490 HA ASN 62 HA ASN 62 -5.918 6.946 -4.409 491 HB2 ASN 62 1HB ASN 62 -5.846 6.765 -6.848 492 HB3 ASN 62 2HB ASN 62 -5.492 5.258 -6.035 493 HD21 ASN 62 1HD2 ASN 62 -8.843 5.930 -6.122 494 HD22 ASN 62 2HD2 ASN 62 -9.221 4.948 -7.496 495 H LEU 63 H LEU 63 -7.874 8.038 -3.221 496 HA LEU 63 HA LEU 63 -8.841 10.081 -5.047 497 HB2 LEU 63 1HB LEU 63 -10.406 7.863 -4.496 498 HB3 LEU 63 2HB LEU 63 -10.991 9.056 -3.347 499 HG LEU 63 HG LEU 63 -12.408 9.342 -5.161 500 HD11 LEU 63 1HD1 LEU 63 -10.153 11.269 -5.694 501 HD12 LEU 63 2HD1 LEU 63 -11.827 11.454 -6.223 502 HD13 LEU 63 3HD1 LEU 63 -11.438 11.479 -4.503 503 HD21 LEU 63 3HD2 LEU 63 -10.884 7.834 -6.583 504 HD22 LEU 63 1HD2 LEU 63 -11.898 9.027 -7.399 505 HD23 LEU 63 2HD2 LEU 63 -10.180 9.347 -7.157 506 H ASN 64 H ASN 64 -9.443 8.754 -1.820 507 HA ASN 64 HA ASN 64 -9.505 11.323 -0.554 508 HB2 ASN 64 1HB ASN 64 -9.351 8.510 0.539 509 HB3 ASN 64 2HB ASN 64 -9.460 9.936 1.558 510 HD21 ASN 64 1HD2 ASN 64 -11.200 10.865 -0.947 511 HD22 ASN 64 2HD2 ASN 64 -12.757 10.254 -0.513 512 H VAL 65 H VAL 65 -7.888 12.320 0.628 513 HA VAL 65 HA VAL 65 -5.247 11.839 -0.198 514 HB VAL 65 HB VAL 65 -5.992 14.060 0.428 515 HG11 VAL 65 1HG1 VAL 65 -7.015 14.532 2.334 516 HG12 VAL 65 2HG1 VAL 65 -7.075 12.790 2.605 517 HG13 VAL 65 3HG1 VAL 65 -5.761 13.741 3.290 518 HG21 VAL 65 3HG2 VAL 65 -4.053 14.378 2.270 519 HG22 VAL 65 1HG2 VAL 65 -3.609 12.803 1.614 520 HG23 VAL 65 2HG2 VAL 65 -3.748 14.198 0.543 521 H GLY 66 H GLY 66 -3.595 10.706 0.640 522 HA2 GLY 66 2HA GLY 66 -4.188 8.793 2.706 523 HA3 GLY 66 1HA GLY 66 -2.673 8.955 1.832 524 H VAL 67 H VAL 67 -3.454 8.718 4.756 525 HA VAL 67 HA VAL 67 -1.870 11.021 5.677 526 HB VAL 67 HB VAL 67 -3.178 10.905 7.825 527 HG11 VAL 67 1HG1 VAL 67 -4.371 11.752 5.218 528 HG12 VAL 67 2HG1 VAL 67 -5.274 11.959 6.718 529 HG13 VAL 67 3HG1 VAL 67 -3.706 12.741 6.518 530 HG21 VAL 67 3HG2 VAL 67 -4.099 8.612 7.366 531 HG22 VAL 67 1HG2 VAL 67 -5.283 9.804 7.905 532 HG23 VAL 67 2HG2 VAL 67 -5.189 9.363 6.201 533 H ASN 68 H ASN 68 -2.773 7.638 6.265 534 HA ASN 68 HA ASN 68 -0.350 7.408 7.933 535 HB2 ASN 68 1HB ASN 68 -2.903 5.794 8.096 536 HB3 ASN 68 2HB ASN 68 -1.458 5.502 9.060 537 HD21 ASN 68 1HD2 ASN 68 -4.403 6.685 9.297 538 HD22 ASN 68 2HD2 ASN 68 -4.168 7.957 10.447 539 H ASP 69 H ASP 69 1.099 5.847 7.484 540 HA ASP 69 HA ASP 69 1.185 4.749 4.869 541 HB2 ASP 69 1HB ASP 69 2.770 3.784 7.265 542 HB3 ASP 69 2HB ASP 69 3.213 3.657 5.568 543 H ALA 70 H ALA 70 0.728 2.756 4.095 544 HA ALA 70 HA ALA 70 -0.995 1.063 5.703 545 HB1 ALA 70 3HB ALA 70 -0.404 -0.197 3.255 546 HB2 ALA 70 1HB ALA 70 -1.893 0.628 3.725 547 HB3 ALA 70 2HB ALA 70 -0.607 1.522 2.913 548 H PHE 71 H PHE 71 -0.591 -1.132 6.112 549 HA PHE 71 HA PHE 71 2.219 -1.954 5.857 550 HB2 PHE 71 1HB PHE 71 0.383 -2.212 8.233 551 HB3 PHE 71 2HB PHE 71 1.748 -3.297 8.012 552 HD1 PHE 71 HD2 PHE 71 1.193 0.402 7.764 553 HD2 PHE 71 HD1 PHE 71 3.539 -2.796 9.307 554 HE1 PHE 71 HE2 PHE 71 2.663 2.025 8.883 555 HE2 PHE 71 HE1 PHE 71 5.008 -1.176 10.431 556 HZ PHE 71 HZ PHE 71 4.574 1.236 10.218 557 H TYR 72 H TYR 72 2.520 -3.939 5.018 558 HA TYR 72 HA TYR 72 0.315 -5.462 3.989 559 HB2 TYR 72 1HB TYR 72 3.157 -6.410 4.446 560 HB3 TYR 72 2HB TYR 72 1.957 -7.150 3.400 561 HD1 TYR 72 HD1 TYR 72 1.260 -5.932 1.299 562 HD2 TYR 72 HD2 TYR 72 4.566 -4.702 3.674 563 HE1 TYR 72 HE1 TYR 72 2.163 -4.683 -0.617 564 HE2 TYR 72 HE2 TYR 72 5.475 -3.446 1.769 565 HH TYR 72 HH TYR 72 4.339 -3.812 -1.403 566 H CYS 73 H CYS 73 -0.909 -6.848 5.126 567 HA CYS 73 HA CYS 73 -0.483 -7.253 7.879 568 HB2 CYS 73 1HB CYS 73 -2.468 -8.466 7.897 569 HB3 CYS 73 2HB CYS 73 -2.691 -7.387 6.528 570 H TRP 74 H TRP 74 0.023 -9.168 9.010 571 HA TRP 74 HA TRP 74 2.340 -10.413 8.207 572 HB2 TRP 74 1HB TRP 74 1.549 -10.370 10.533 573 HB3 TRP 74 2HB TRP 74 0.268 -11.507 10.122 574 HD1 TRP 74 HD1 TRP 74 4.141 -11.490 9.770 575 HE1 TRP 74 HE1 TRP 74 5.008 -13.827 10.416 576 HE3 TRP 74 HE3 TRP 74 -0.327 -13.741 10.775 577 HZ2 TRP 74 HZ2 TRP 74 3.925 -16.300 11.243 578 HZ3 TRP 74 HZ3 TRP 74 -0.327 -16.096 11.484 579 HH2 TRP 74 HH2 TRP 74 1.755 -17.348 11.710 580 H GLU 75 H GLU 75 -0.976 -11.496 7.733 581 HA GLU 75 HA GLU 75 -0.462 -14.099 6.881 582 HB2 GLU 75 1HB GLU 75 -2.676 -12.225 6.038 583 HB3 GLU 75 2HB GLU 75 -2.659 -13.957 5.738 584 HG2 GLU 75 1HG GLU 75 -2.582 -14.332 8.182 585 HG3 GLU 75 2HG GLU 75 -2.740 -12.591 8.417 586 H CYS 76 H CYS 76 -0.663 -11.099 4.979 587 HA CYS 76 HA CYS 76 -0.090 -12.416 2.494 588 HB2 CYS 76 1HB CYS 76 -0.046 -9.496 3.272 589 HB3 CYS 76 2HB CYS 76 0.279 -10.076 1.643 590 H CYS 77 H CYS 77 1.779 -10.698 4.939 591 HA CYS 77 HA CYS 77 4.206 -10.566 3.503 592 HB2 CYS 77 1HB CYS 77 3.566 -9.329 5.654 593 HB3 CYS 77 2HB CYS 77 4.016 -10.805 6.503 594 HG CYS 77 HG CYS 77 6.266 -9.438 4.363 595 H ARG 78 H ARG 78 2.762 -13.034 5.537 596 HA ARG 78 HA ARG 78 4.962 -14.807 5.668 597 HB2 ARG 78 1HB ARG 78 3.191 -15.226 7.172 598 HB3 ARG 78 2HB ARG 78 1.982 -15.168 5.897 599 HG2 ARG 78 1HG ARG 78 2.811 -17.274 4.999 600 HG3 ARG 78 2HG ARG 78 4.050 -17.328 6.254 601 HD2 ARG 78 1HD ARG 78 2.446 -17.627 7.960 602 HD3 ARG 78 2HD ARG 78 1.115 -17.184 6.893 603 HE ARG 78 HE ARG 78 0.986 -19.355 6.254 604 HH11 ARG 78 2HH1 ARG 78 4.186 -18.842 7.615 605 HH12 ARG 78 1HH1 ARG 78 4.717 -20.467 7.277 606 HH21 ARG 78 2HH2 ARG 78 1.690 -21.491 5.829 607 HH22 ARG 78 1HH2 ARG 78 3.308 -21.959 6.279 608 H LEU 79 H LEU 79 2.332 -14.402 3.354 609 HA LEU 79 HA LEU 79 3.190 -16.587 1.686 610 HB2 LEU 79 1HB LEU 79 1.257 -14.340 1.111 611 HB3 LEU 79 2HB LEU 79 1.456 -15.793 0.150 612 HG LEU 79 HG LEU 79 0.461 -15.711 3.000 613 HD11 LEU 79 1HD1 LEU 79 -1.081 -14.771 1.271 614 HD12 LEU 79 2HD1 LEU 79 -1.064 -16.349 0.483 615 HD13 LEU 79 3HD1 LEU 79 -1.700 -16.187 2.121 616 HD21 LEU 79 3HD2 LEU 79 1.587 -17.776 2.640 617 HD22 LEU 79 1HD2 LEU 79 -0.143 -18.095 2.506 618 HD23 LEU 79 2HD2 LEU 79 0.848 -17.975 1.051 619 H GLY 80 H GLY 80 4.560 -13.718 2.295 620 HA2 GLY 80 2HA GLY 80 6.145 -12.442 1.247 621 HA3 GLY 80 1HA GLY 80 6.308 -13.759 0.095 622 H LYS 81 H LYS 81 3.322 -11.995 0.655 623 HA LYS 81 HA LYS 81 3.161 -11.341 -2.137 624 HB2 LYS 81 1HB LYS 81 1.347 -10.738 0.199 625 HB3 LYS 81 2HB LYS 81 1.006 -10.217 -1.447 626 HG2 LYS 81 1HG LYS 81 1.095 -12.606 -2.150 627 HG3 LYS 81 2HG LYS 81 1.237 -13.048 -0.447 628 HD2 LYS 81 1HD LYS 81 -0.911 -12.106 0.044 629 HD3 LYS 81 2HD LYS 81 -1.031 -11.412 -1.573 630 HE2 LYS 81 1HE LYS 81 -1.017 -13.704 -2.512 631 HE3 LYS 81 2HE LYS 81 -1.014 -14.345 -0.869 632 HZ1 LYS 81 3HZ LYS 81 -3.238 -14.343 -1.710 633 HZ2 LYS 81 1HZ LYS 81 -3.144 -12.702 -2.128 634 HZ3 LYS 81 2HZ LYS 81 -3.131 -13.166 -0.494 635 H ASP 82 H ASP 82 4.334 -9.836 0.686 636 HA ASP 82 HA ASP 82 4.137 -7.125 -0.225 637 HB2 ASP 82 1HB ASP 82 5.374 -6.517 1.670 638 HB3 ASP 82 2HB ASP 82 4.469 -7.927 2.203 639 H LYS 83 H LYS 83 6.178 -9.800 -0.830 640 HA LYS 83 HA LYS 83 8.422 -8.348 -1.866 641 HB2 LYS 83 1HB LYS 83 7.573 -11.222 -2.253 642 HB3 LYS 83 2HB LYS 83 9.100 -10.546 -2.797 643 HG2 LYS 83 1HG LYS 83 9.696 -10.053 -0.470 644 HG3 LYS 83 2HG LYS 83 8.173 -10.776 0.057 645 HD2 LYS 83 1HD LYS 83 8.851 -12.907 -0.965 646 HD3 LYS 83 2HD LYS 83 10.384 -12.178 -1.443 647 HE2 LYS 83 1HE LYS 83 9.394 -12.504 1.387 648 HE3 LYS 83 2HE LYS 83 10.603 -13.518 0.600 649 HZ1 LYS 83 3HZ LYS 83 12.158 -11.849 0.646 650 HZ2 LYS 83 1HZ LYS 83 11.342 -11.574 2.107 651 HZ3 LYS 83 2HZ LYS 83 11.018 -10.606 0.753 652 H ASP 84 H ASP 84 5.341 -9.382 -3.061 653 HA ASP 84 HA ASP 84 5.811 -9.649 -5.778 654 HB2 ASP 84 1HB ASP 84 3.392 -8.721 -4.247 655 HB3 ASP 84 2HB ASP 84 3.381 -8.782 -6.005 656 H GLY 85 H GLY 85 4.674 -6.688 -4.116 657 HA2 GLY 85 2HA GLY 85 6.472 -4.936 -4.944 658 HA3 GLY 85 1HA GLY 85 5.537 -5.116 -6.415 659 H CYS 86 H CYS 86 4.720 -3.203 -6.591 660 HA CYS 86 HA CYS 86 3.900 -1.471 -4.583 661 HB2 CYS 86 1HB CYS 86 4.594 -0.894 -6.879 662 HB3 CYS 86 2HB CYS 86 3.096 -1.574 -7.491 663 HA PRO 87 HA PRO 87 -0.143 -3.294 -3.795 664 HB2 PRO 87 1HB PRO 87 -0.571 -2.118 -1.445 665 HB3 PRO 87 2HB PRO 87 0.644 -3.390 -1.620 666 HG2 PRO 87 1HG PRO 87 1.011 -0.422 -1.521 667 HG3 PRO 87 2HG PRO 87 1.959 -1.692 -0.725 668 HD2 PRO 87 1HD PRO 87 2.684 -0.445 -3.071 669 HD3 PRO 87 2HD PRO 87 3.235 -2.059 -2.582 670 H ARG 88 H ARG 88 0.047 -1.044 -5.611 671 HA ARG 88 HA ARG 88 -1.882 0.917 -4.716 672 HB2 ARG 88 1HB ARG 88 -0.157 0.517 -7.084 673 HB3 ARG 88 2HB ARG 88 -1.668 1.368 -7.369 674 HG2 ARG 88 1HG ARG 88 0.120 2.199 -5.129 675 HG3 ARG 88 2HG ARG 88 0.463 2.705 -6.786 676 HD2 ARG 88 1HD ARG 88 -1.630 3.803 -6.972 677 HD3 ARG 88 2HD ARG 88 -2.214 3.081 -5.477 678 HE ARG 88 HE ARG 88 0.114 4.691 -5.073 679 HH11 ARG 88 2HH1 ARG 88 -3.357 4.802 -5.492 680 HH12 ARG 88 1HH1 ARG 88 -3.530 6.327 -4.666 681 HH21 ARG 88 2HH2 ARG 88 -0.121 6.676 -3.958 682 HH22 ARG 88 1HH2 ARG 88 -1.703 7.352 -3.737 683 H ILE 89 H ILE 89 -4.016 0.644 -4.821 684 HA ILE 89 HA ILE 89 -5.159 -1.584 -6.262 685 HB ILE 89 HB ILE 89 -6.423 0.632 -4.642 686 HG12 ILE 89 1HG1 ILE 89 -5.150 -0.985 -3.327 687 HG13 ILE 89 2HG1 ILE 89 -6.874 -1.178 -3.028 688 HG21 ILE 89 1HG2 ILE 89 -8.496 -0.769 -4.754 689 HG22 ILE 89 2HG2 ILE 89 -8.049 0.017 -6.269 690 HG23 ILE 89 3HG2 ILE 89 -7.722 -1.700 -6.036 691 HD11 ILE 89 3HD1 ILE 89 -6.498 -2.957 -5.036 692 HD12 ILE 89 1HD1 ILE 89 -4.944 -3.040 -4.206 693 HD13 ILE 89 2HD1 ILE 89 -6.436 -3.352 -3.318 694 H LEU 90 H LEU 90 -5.443 -1.463 -8.381 695 HA LEU 90 HA LEU 90 -5.894 1.154 -9.615 696 HB2 LEU 90 1HB LEU 90 -5.196 -1.414 -11.010 697 HB3 LEU 90 2HB LEU 90 -5.053 0.219 -11.631 698 HG LEU 90 HG LEU 90 -3.397 -0.943 -9.393 699 HD11 LEU 90 1HD1 LEU 90 -2.736 -2.009 -11.373 700 HD12 LEU 90 2HD1 LEU 90 -2.869 -0.521 -12.311 701 HD13 LEU 90 3HD1 LEU 90 -1.580 -0.698 -11.121 702 HD21 LEU 90 3HD2 LEU 90 -3.354 1.733 -10.769 703 HD22 LEU 90 1HD2 LEU 90 -3.541 1.394 -9.047 704 HD23 LEU 90 2HD2 LEU 90 -1.995 1.094 -9.842 705 H ASN 91 H ASN 91 -7.321 -1.952 -9.138 706 HA ASN 91 HA ASN 91 -9.108 -2.054 -11.254 707 HB2 ASN 91 1HB ASN 91 -10.403 -3.657 -9.856 708 HB3 ASN 91 2HB ASN 91 -8.682 -4.017 -9.939 709 HD21 ASN 91 1HD2 ASN 91 -11.275 -3.754 -7.918 710 HD22 ASN 91 2HD2 ASN 91 -10.437 -3.562 -6.415 711 H LEU 92 H LEU 92 -9.333 -0.212 -8.325 712 HA LEU 92 HA LEU 92 -12.132 0.154 -8.311 713 HB2 LEU 92 1HB LEU 92 -10.668 0.653 -6.385 714 HB3 LEU 92 2HB LEU 92 -9.995 2.009 -7.271 715 HG LEU 92 HG LEU 92 -12.331 2.979 -7.357 716 HD11 LEU 92 1HD1 LEU 92 -12.825 0.550 -5.724 717 HD12 LEU 92 2HD1 LEU 92 -13.681 2.033 -5.302 718 HD13 LEU 92 3HD1 LEU 92 -13.854 1.346 -6.916 719 HD21 LEU 92 3HD2 LEU 92 -12.179 3.967 -5.214 720 HD22 LEU 92 1HD2 LEU 92 -11.293 2.587 -4.564 721 HD23 LEU 92 2HD2 LEU 92 -10.526 3.650 -5.744 722 H GLY 93 H GLY 93 -13.389 1.271 -9.616 723 HA2 GLY 93 2HA GLY 93 -12.206 2.991 -11.649 724 HA3 GLY 93 1HA GLY 93 -13.877 2.457 -11.572 725 H SER 94 H SER 94 -11.777 4.246 -9.322 726 HA SER 94 HA SER 94 -12.100 6.160 -8.139 727 HB2 SER 94 1HB SER 94 -13.616 7.032 -10.609 728 HB3 SER 94 2HB SER 94 -12.857 8.083 -9.411 729 HG SER 94 HG SER 94 -11.008 6.381 -10.258 730 H ASN 95 H ASN 95 -13.591 4.507 -7.020 731 HA ASN 95 HA ASN 95 -15.382 4.218 -5.651 732 HB2 ASN 95 1HB ASN 95 -16.359 6.813 -6.855 733 HB3 ASN 95 2HB ASN 95 -17.259 5.908 -5.645 734 HD21 ASN 95 1HD2 ASN 95 -17.024 6.644 -3.675 735 HD22 ASN 95 2HD2 ASN 95 -15.616 7.422 -3.029 736 H ARG 96 H ARG 96 -16.849 5.680 -8.528 737 HA ARG 96 HA ARG 96 -17.394 3.292 -9.837 738 HB2 ARG 96 1HB ARG 96 -18.977 2.744 -8.113 739 HB3 ARG 96 2HB ARG 96 -19.710 4.338 -8.198 740 HG2 ARG 96 1HG ARG 96 -21.042 2.513 -9.256 741 HG3 ARG 96 2HG ARG 96 -20.677 3.871 -10.322 742 HD2 ARG 96 1HD ARG 96 -20.389 1.717 -11.450 743 HD3 ARG 96 2HD ARG 96 -18.878 2.618 -11.349 744 HE ARG 96 HE ARG 96 -19.235 0.760 -9.184 745 HH11 ARG 96 2HH1 ARG 96 -18.050 1.199 -12.449 746 HH12 ARG 96 1HH1 ARG 96 -17.087 -0.250 -12.439 747 HH21 ARG 96 2HH2 ARG 96 -17.970 -1.149 -9.149 748 HH22 ARG 96 1HH2 ARG 96 -17.045 -1.594 -10.559 749 H LEU 97 H LEU 97 -19.561 6.070 -9.301 750 HA LEU 97 HA LEU 97 -18.766 7.296 -11.796 751 HB2 LEU 97 1HB LEU 97 -21.465 5.995 -11.464 752 HB3 LEU 97 2HB LEU 97 -21.179 7.278 -12.623 753 HG LEU 97 HG LEU 97 -19.682 4.653 -12.626 754 HD11 LEU 97 1HD1 LEU 97 -21.161 3.798 -14.181 755 HD12 LEU 97 2HD1 LEU 97 -22.243 4.623 -13.059 756 HD13 LEU 97 3HD1 LEU 97 -21.815 5.383 -14.592 757 HD21 LEU 97 3HD2 LEU 97 -19.778 7.044 -14.433 758 HD22 LEU 97 1HD2 LEU 97 -18.376 6.193 -13.783 759 HD23 LEU 97 2HD2 LEU 97 -19.345 5.451 -15.056 760 H ASP 98 H ASP 98 -18.742 9.372 -11.406 761 HA ASP 98 HA ASP 98 -20.268 10.564 -9.251 762 HB2 ASP 98 1HB ASP 98 -17.912 11.254 -9.913 763 HB3 ASP 98 2HB ASP 98 -18.609 11.962 -11.364 764 H ARG 99 H ARG 99 -22.082 11.816 -9.472 765 HA ARG 99 HA ARG 99 -23.985 12.656 -10.371 766 HB2 ARG 99 1HB ARG 99 -22.461 12.684 -12.983 767 HB3 ARG 99 2HB ARG 99 -24.010 13.467 -12.693 768 HG2 ARG 99 1HG ARG 99 -22.971 14.890 -11.001 769 HG3 ARG 99 2HG ARG 99 -21.417 14.119 -11.315 770 HD2 ARG 99 1HD ARG 99 -23.045 15.699 -13.299 771 HD3 ARG 99 2HD ARG 99 -21.614 16.277 -12.455 772 HE ARG 99 HE ARG 99 -21.647 14.834 -14.850 773 HH11 ARG 99 2HH1 ARG 99 -19.941 14.639 -11.775 774 HH12 ARG 99 1HH1 ARG 99 -18.460 14.095 -12.506 775 HH21 ARG 99 2HH2 ARG 99 -19.696 14.129 -15.778 776 HH22 ARG 99 1HH2 ARG 99 -18.323 13.812 -14.756 777 H HIS 100 H HIS 100 -24.461 10.354 -9.779 778 HA HIS 100 HA HIS 100 -24.701 8.246 -11.537 779 HB2 HIS 100 1HB HIS 100 -25.124 8.146 -9.084 780 HB3 HIS 100 2HB HIS 100 -26.633 9.012 -9.325 781 HD1 HIS 100 HD1 HIS 100 -27.492 6.757 -8.029 782 HD2 HIS 100 HD2 HIS 100 -26.324 6.344 -12.002 783 HE1 HIS 100 HE1 HIS 100 -28.486 4.580 -8.809 784 HE2 HIS 100 HE2 HIS 100 -27.633 4.275 -11.165 785 H PHE 101 H PHE 101 -25.895 7.855 -13.287 786 HA PHE 101 HA PHE 101 -27.706 9.787 -14.333 787 HB2 PHE 101 1HB PHE 101 -26.347 8.391 -15.808 788 HB3 PHE 101 2HB PHE 101 -27.141 6.941 -15.205 789 HD1 PHE 101 HD1 PHE 101 -28.928 10.074 -15.977 790 HD2 PHE 101 HD2 PHE 101 -27.917 6.160 -17.303 791 HE1 PHE 101 HE1 PHE 101 -30.608 10.249 -17.766 792 HE2 PHE 101 HE2 PHE 101 -29.594 6.328 -19.095 793 HZ PHE 101 HZ PHE 101 -30.945 8.373 -19.323 794 H GLU 102 H GLU 102 -29.018 9.792 -12.321 795 HA GLU 102 HA GLU 102 -31.463 8.366 -12.734 796 HB2 GLU 102 1HB GLU 102 -29.508 7.327 -10.846 797 HB3 GLU 102 2HB GLU 102 -31.016 7.741 -10.049 798 HG2 GLU 102 1HG GLU 102 -30.746 5.909 -12.421 799 HG3 GLU 102 2HG GLU 102 -30.922 5.394 -10.747 800 H LYS 103 H LYS 103 -33.110 9.448 -11.942 801 HA LYS 103 HA LYS 103 -33.327 10.781 -9.576 802 HB2 LYS 103 1HB LYS 103 -33.342 13.169 -10.151 803 HB3 LYS 103 2HB LYS 103 -31.745 12.476 -10.366 804 HG2 LYS 103 1HG LYS 103 -33.471 12.546 -12.758 805 HG3 LYS 103 2HG LYS 103 -32.912 14.100 -12.142 806 HD2 LYS 103 1HD LYS 103 -31.032 11.806 -12.626 807 HD3 LYS 103 2HD LYS 103 -31.479 12.931 -13.909 808 HE2 LYS 103 1HE LYS 103 -29.445 13.728 -13.002 809 HE3 LYS 103 2HE LYS 103 -30.710 14.790 -12.391 810 HZ1 LYS 103 3HZ LYS 103 -30.493 13.986 -10.276 811 HZ2 LYS 103 1HZ LYS 103 -28.890 13.853 -10.812 812 HZ3 LYS 103 2HZ LYS 103 -29.886 12.485 -10.771 813 H LYS 104 H LYS 104 -34.209 11.053 -12.996 814 HA LYS 104 HA LYS 104 -37.037 11.219 -12.203 815 HB2 LYS 104 1HB LYS 104 -35.752 11.684 -14.908 816 HB3 LYS 104 2HB LYS 104 -37.458 11.893 -14.531 817 HG2 LYS 104 1HG LYS 104 -36.959 13.721 -13.048 818 HG3 LYS 104 2HG LYS 104 -35.225 13.459 -13.256 819 HD2 LYS 104 1HD LYS 104 -35.390 14.036 -15.605 820 HD3 LYS 104 2HD LYS 104 -37.141 14.214 -15.462 821 HE2 LYS 104 1HE LYS 104 -35.102 15.866 -13.970 822 HE3 LYS 104 2HE LYS 104 -35.939 16.374 -15.436 823 HZ1 LYS 104 3HZ LYS 104 -37.190 15.752 -12.817 824 HZ2 LYS 104 1HZ LYS 104 -38.049 16.122 -14.229 825 HZ3 LYS 104 2HZ LYS 104 -37.037 17.286 -13.523 826 H LYS 105 H LYS 105 -35.680 8.797 -11.844 827 HA LYS 105 HA LYS 105 -35.868 6.573 -12.214 828 HB2 LYS 105 1HB LYS 105 -38.243 7.372 -13.909 829 HB3 LYS 105 2HB LYS 105 -37.875 5.735 -13.382 830 HG2 LYS 105 1HG LYS 105 -38.487 8.061 -11.569 831 HG3 LYS 105 2HG LYS 105 -39.608 6.772 -12.009 832 HD2 LYS 105 1HD LYS 105 -38.299 5.138 -10.881 833 HD3 LYS 105 2HD LYS 105 -36.963 6.269 -10.665 834 HE2 LYS 105 1HE LYS 105 -38.152 6.012 -8.578 835 HE3 LYS 105 2HE LYS 105 -38.396 7.641 -9.203 836 HZ1 LYS 105 3HZ LYS 105 -40.566 6.951 -10.037 837 HZ2 LYS 105 1HZ LYS 105 -40.450 6.713 -8.362 838 HZ3 LYS 105 2HZ LYS 105 -40.326 5.391 -9.418 839 H LYS 106 H LYS 106 -33.831 7.059 -13.343 840 HA LYS 106 HA LYS 106 -32.331 6.623 -14.983 841 HB2 LYS 106 1HB LYS 106 -34.647 5.156 -16.258 842 HB3 LYS 106 2HB LYS 106 -32.995 5.112 -16.857 843 HG2 LYS 106 1HG LYS 106 -33.872 4.183 -14.131 844 HG3 LYS 106 2HG LYS 106 -33.570 3.139 -15.521 845 HD2 LYS 106 1HD LYS 106 -31.254 3.749 -15.562 846 HD3 LYS 106 2HD LYS 106 -31.510 4.994 -14.339 847 HE2 LYS 106 1HE LYS 106 -30.472 2.990 -13.387 848 HE3 LYS 106 2HE LYS 106 -32.062 3.296 -12.692 849 HZ1 LYS 106 3HZ LYS 106 -31.991 1.534 -15.005 850 HZ2 LYS 106 1HZ LYS 106 -32.914 1.430 -13.588 851 HZ3 LYS 106 2HZ LYS 106 -31.295 0.923 -13.583 852 H VAL 107 H VAL 107 -33.798 9.005 -14.939 853 HA VAL 107 HA VAL 107 -33.244 9.935 -17.631 854 HB VAL 107 HB VAL 107 -35.867 10.551 -16.228 855 HG11 VAL 107 1HG1 VAL 107 -34.398 11.924 -18.353 856 HG12 VAL 107 2HG1 VAL 107 -36.082 11.578 -18.746 857 HG13 VAL 107 3HG1 VAL 107 -35.687 12.507 -17.300 858 HG21 VAL 107 3HG2 VAL 107 -36.926 9.087 -17.550 859 HG22 VAL 107 1HG2 VAL 107 -35.964 9.522 -18.963 860 HG23 VAL 107 2HG2 VAL 107 -35.331 8.373 -17.784 Start of MODEL 4 1 H1 GLY -1 1H GLY -1 3.294 -28.850 -18.751 2 H2 GLY -1 2H GLY -1 3.798 -27.254 -19.030 3 H3 GLY -1 3H GLY -1 2.157 -27.592 -18.782 4 HA2 GLY -1 1HA GLY -1 2.467 -28.092 -16.525 5 HA3 GLY -1 2HA GLY -1 4.212 -28.147 -16.733 6 H GLY 0 H GLY 0 1.757 -25.771 -17.759 7 HA2 GLY 0 2HA GLY 0 2.753 -23.819 -15.870 8 HA3 GLY 0 1HA GLY 0 3.194 -23.493 -17.540 9 H SER 1 H SER 1 1.112 -22.588 -15.294 10 HA SER 1 HA SER 1 -0.817 -21.537 -17.130 11 HB2 SER 1 1HB SER 1 -2.743 -22.786 -15.952 12 HB3 SER 1 2HB SER 1 -1.804 -23.684 -17.145 13 HG SER 1 HG SER 1 -0.598 -23.947 -14.787 14 H SER 2 H SER 2 0.865 -20.342 -15.255 15 HA SER 2 HA SER 2 -0.714 -19.770 -12.889 16 HB2 SER 2 1HB SER 2 1.938 -18.606 -13.772 17 HB3 SER 2 2HB SER 2 1.200 -18.431 -12.178 18 HG SER 2 HG SER 2 1.782 -20.403 -11.666 19 H ARG 3 H ARG 3 -1.823 -19.028 -15.450 20 HA ARG 3 HA ARG 3 -1.732 -16.105 -15.434 21 HB2 ARG 3 1HB ARG 3 -3.225 -18.025 -17.231 22 HB3 ARG 3 2HB ARG 3 -3.248 -16.275 -17.390 23 HG2 ARG 3 1HG ARG 3 -0.843 -16.286 -17.832 24 HG3 ARG 3 2HG ARG 3 -0.829 -18.044 -17.676 25 HD2 ARG 3 1HD ARG 3 -2.403 -16.479 -19.721 26 HD3 ARG 3 2HD ARG 3 -0.879 -17.310 -20.024 27 HE ARG 3 HE ARG 3 -1.979 -19.365 -19.897 28 HH11 ARG 3 2HH1 ARG 3 -4.204 -16.683 -19.432 29 HH12 ARG 3 1HH1 ARG 3 -5.627 -17.675 -19.590 30 HH21 ARG 3 2HH2 ARG 3 -3.851 -20.659 -20.123 31 HH22 ARG 3 1HH2 ARG 3 -5.428 -19.932 -19.962 32 H HIS 4 H HIS 4 -3.112 -15.003 -14.214 33 HA HIS 4 HA HIS 4 -5.850 -15.762 -13.971 34 HB2 HIS 4 1HB HIS 4 -5.770 -15.873 -11.413 35 HB3 HIS 4 2HB HIS 4 -5.221 -17.290 -12.297 36 HD1 HIS 4 HD1 HIS 4 -3.398 -14.149 -11.103 37 HD2 HIS 4 HD2 HIS 4 -3.090 -18.293 -10.991 38 HE1 HIS 4 HE1 HIS 4 -1.297 -14.638 -9.810 39 HE2 HIS 4 HE2 HIS 4 -1.132 -17.146 -9.732 40 H GLN 5 H GLN 5 -7.058 -14.021 -13.697 41 HA GLN 5 HA GLN 5 -5.821 -11.445 -13.236 42 HB2 GLN 5 1HB GLN 5 -7.902 -12.102 -14.743 43 HB3 GLN 5 2HB GLN 5 -8.786 -11.882 -13.243 44 HG2 GLN 5 1HG GLN 5 -7.104 -9.809 -14.636 45 HG3 GLN 5 2HG GLN 5 -8.862 -9.891 -14.622 46 HE21 GLN 5 1HE2 GLN 5 -9.980 -9.276 -12.801 47 HE22 GLN 5 2HE2 GLN 5 -9.238 -8.395 -11.508 48 H PHE 6 H PHE 6 -8.105 -13.614 -11.598 49 HA PHE 6 HA PHE 6 -8.793 -13.749 -9.434 50 HB2 PHE 6 1HB PHE 6 -6.411 -14.296 -9.128 51 HB3 PHE 6 2HB PHE 6 -6.029 -12.590 -8.953 52 HD1 PHE 6 HD2 PHE 6 -8.718 -14.699 -7.438 53 HD2 PHE 6 HD1 PHE 6 -5.293 -12.244 -6.822 54 HE1 PHE 6 HE2 PHE 6 -9.037 -14.870 -5.003 55 HE2 PHE 6 HE1 PHE 6 -5.611 -12.411 -4.386 56 HZ PHE 6 HZ PHE 6 -7.485 -13.723 -3.475 57 H ASP 7 H ASP 7 -6.991 -11.190 -8.140 58 HA ASP 7 HA ASP 7 -8.959 -9.150 -8.776 59 HB2 ASP 7 1HB ASP 7 -8.358 -10.121 -5.995 60 HB3 ASP 7 2HB ASP 7 -8.781 -8.434 -6.265 61 H LEU 8 H LEU 8 -6.453 -9.544 -9.797 62 HA LEU 8 HA LEU 8 -4.452 -8.158 -8.328 63 HB2 LEU 8 1HB LEU 8 -4.518 -8.995 -11.208 64 HB3 LEU 8 2HB LEU 8 -3.100 -8.437 -10.339 65 HG LEU 8 HG LEU 8 -4.389 -11.072 -10.349 66 HD11 LEU 8 1HD1 LEU 8 -2.072 -11.694 -9.699 67 HD12 LEU 8 2HD1 LEU 8 -2.215 -10.804 -11.217 68 HD13 LEU 8 3HD1 LEU 8 -1.679 -9.974 -9.757 69 HD21 LEU 8 3HD2 LEU 8 -4.998 -10.386 -8.080 70 HD22 LEU 8 1HD2 LEU 8 -3.766 -11.648 -8.072 71 HD23 LEU 8 2HD2 LEU 8 -3.314 -9.973 -7.753 72 H ILE 9 H ILE 9 -6.503 -6.395 -8.437 73 HA ILE 9 HA ILE 9 -5.898 -4.481 -10.530 74 HB ILE 9 HB ILE 9 -8.004 -4.364 -8.345 75 HG12 ILE 9 1HG1 ILE 9 -9.561 -4.458 -10.325 76 HG13 ILE 9 2HG1 ILE 9 -8.169 -4.808 -11.334 77 HG21 ILE 9 1HG2 ILE 9 -8.601 -2.507 -10.363 78 HG22 ILE 9 2HG2 ILE 9 -8.132 -2.166 -8.698 79 HG23 ILE 9 3HG2 ILE 9 -6.901 -2.254 -9.961 80 HD11 ILE 9 3HD1 ILE 9 -8.847 -6.917 -10.994 81 HD12 ILE 9 1HD1 ILE 9 -7.888 -6.744 -9.522 82 HD13 ILE 9 2HD1 ILE 9 -9.641 -6.537 -9.462 83 H MET 10 H MET 10 -3.827 -5.127 -9.051 84 HA MET 10 HA MET 10 -3.294 -2.589 -7.710 85 HB2 MET 10 1HB MET 10 -1.488 -4.100 -6.440 86 HB3 MET 10 2HB MET 10 -3.075 -3.737 -5.790 87 HG2 MET 10 1HG MET 10 -3.894 -5.884 -6.677 88 HG3 MET 10 2HG MET 10 -2.259 -6.245 -7.234 89 HE1 MET 10 3HE MET 10 -3.975 -4.659 -4.325 90 HE2 MET 10 1HE MET 10 -3.453 -5.533 -2.886 91 HE3 MET 10 2HE MET 10 -2.381 -4.347 -3.636 92 H CYS 11 H CYS 11 -1.410 -1.689 -8.076 93 HA CYS 11 HA CYS 11 -0.375 -1.871 -10.599 94 HB2 CYS 11 1HB CYS 11 -0.310 0.075 -9.120 95 HB3 CYS 11 2HB CYS 11 0.857 -0.732 -8.087 96 H LEU 12 H LEU 12 1.097 -2.980 -7.589 97 HA LEU 12 HA LEU 12 2.807 -4.355 -7.078 98 HB2 LEU 12 1HB LEU 12 1.515 -5.878 -9.322 99 HB3 LEU 12 2HB LEU 12 2.612 -6.567 -8.139 100 HG LEU 12 HG LEU 12 -0.146 -5.461 -7.657 101 HD11 LEU 12 1HD1 LEU 12 0.391 -8.012 -6.527 102 HD12 LEU 12 2HD1 LEU 12 -0.776 -7.572 -7.773 103 HD13 LEU 12 3HD1 LEU 12 0.868 -8.021 -8.224 104 HD21 LEU 12 3HD2 LEU 12 1.562 -6.588 -5.479 105 HD22 LEU 12 1HD2 LEU 12 1.696 -4.884 -5.910 106 HD23 LEU 12 2HD2 LEU 12 0.149 -5.536 -5.369 107 H LYS 13 H LYS 13 3.831 -2.353 -8.766 108 HA LYS 13 HA LYS 13 5.734 -3.721 -10.489 109 HB2 LYS 13 1HB LYS 13 5.443 -0.846 -9.635 110 HB3 LYS 13 2HB LYS 13 6.807 -1.424 -10.575 111 HG2 LYS 13 1HG LYS 13 5.100 -2.244 -12.261 112 HG3 LYS 13 2HG LYS 13 3.936 -1.248 -11.376 113 HD2 LYS 13 1HD LYS 13 5.624 0.633 -11.611 114 HD3 LYS 13 2HD LYS 13 6.411 -0.387 -12.819 115 HE2 LYS 13 1HE LYS 13 3.500 0.286 -12.931 116 HE3 LYS 13 2HE LYS 13 4.734 1.316 -13.621 117 HZ1 LYS 13 3HZ LYS 13 5.303 -0.268 -15.201 118 HZ2 LYS 13 1HZ LYS 13 3.611 -0.400 -15.128 119 HZ3 LYS 13 2HZ LYS 13 4.586 -1.540 -14.338 120 H GLN 14 H GLN 14 8.004 -2.147 -9.768 121 HA GLN 14 HA GLN 14 8.837 -3.570 -7.363 122 HB2 GLN 14 1HB GLN 14 10.276 -3.448 -9.429 123 HB3 GLN 14 2HB GLN 14 10.467 -1.732 -9.134 124 HG2 GLN 14 1HG GLN 14 11.162 -3.644 -6.965 125 HG3 GLN 14 2HG GLN 14 12.245 -3.503 -8.340 126 HE21 GLN 14 1HE2 GLN 14 11.079 -0.498 -8.209 127 HE22 GLN 14 2HE2 GLN 14 12.191 0.220 -7.100 128 HA PRO 15 HA PRO 15 7.536 -0.145 -4.871 129 HB2 PRO 15 1HB PRO 15 9.426 -1.313 -2.911 130 HB3 PRO 15 2HB PRO 15 7.709 -0.943 -2.734 131 HG2 PRO 15 1HG PRO 15 8.537 -3.463 -3.001 132 HG3 PRO 15 2HG PRO 15 7.038 -2.905 -3.768 133 HD2 PRO 15 1HD PRO 15 9.721 -3.411 -4.984 134 HD3 PRO 15 2HD PRO 15 8.104 -3.728 -5.643 135 H GLY 16 H GLY 16 8.242 1.870 -4.679 136 HA2 GLY 16 2HA GLY 16 11.037 2.459 -5.227 137 HA3 GLY 16 1HA GLY 16 9.725 3.624 -5.105 138 H VAL 17 H VAL 17 10.714 5.009 -3.708 139 HA VAL 17 HA VAL 17 11.707 3.926 -1.177 140 HB VAL 17 HB VAL 17 13.131 5.478 -2.497 141 HG11 VAL 17 1HG1 VAL 17 10.774 7.214 -2.217 142 HG12 VAL 17 2HG1 VAL 17 12.332 7.995 -1.949 143 HG13 VAL 17 3HG1 VAL 17 12.012 7.165 -3.472 144 HG21 VAL 17 3HG2 VAL 17 12.926 7.158 -0.203 145 HG22 VAL 17 1HG2 VAL 17 12.632 5.486 0.276 146 HG23 VAL 17 2HG2 VAL 17 14.120 5.913 -0.570 147 H GLN 18 H GLN 18 9.148 5.918 -2.445 148 HA GLN 18 HA GLN 18 8.442 7.066 0.070 149 HB2 GLN 18 1HB GLN 18 6.965 7.009 -2.561 150 HB3 GLN 18 2HB GLN 18 6.479 7.958 -1.160 151 HG2 GLN 18 1HG GLN 18 8.547 9.210 -1.251 152 HG3 GLN 18 2HG GLN 18 9.109 8.223 -2.599 153 HE21 GLN 18 1HE2 GLN 18 8.893 9.111 -4.501 154 HE22 GLN 18 2HE2 GLN 18 7.698 10.274 -4.964 155 H THR 19 H THR 19 6.946 6.523 1.506 156 HA THR 19 HA THR 19 5.990 3.830 1.545 157 HB THR 19 HB THR 19 5.230 6.061 3.433 158 HG1 THR 19 HG1 THR 19 7.633 4.631 3.107 159 HG21 THR 19 1HG2 THR 19 5.419 3.940 4.988 160 HG22 THR 19 2HG2 THR 19 5.116 3.085 3.476 161 HG23 THR 19 3HG2 THR 19 3.948 4.266 4.069 162 H GLY 20 H GLY 20 3.890 3.070 1.422 163 HA2 GLY 20 2HA GLY 20 2.014 4.702 -0.078 164 HA3 GLY 20 1HA GLY 20 1.802 3.018 0.378 165 H LEU 21 H LEU 21 0.595 5.997 0.831 166 HA LEU 21 HA LEU 21 0.023 5.766 3.663 167 HB2 LEU 21 1HB LEU 21 -0.546 7.878 1.603 168 HB3 LEU 21 2HB LEU 21 -1.215 7.943 3.223 169 HG LEU 21 HG LEU 21 1.742 7.859 2.629 170 HD11 LEU 21 1HD1 LEU 21 1.367 9.964 1.912 171 HD12 LEU 21 2HD1 LEU 21 -0.203 10.065 2.712 172 HD13 LEU 21 3HD1 LEU 21 1.275 10.311 3.639 173 HD21 LEU 21 3HD2 LEU 21 0.449 7.210 4.933 174 HD22 LEU 21 1HD2 LEU 21 2.086 7.859 4.847 175 HD23 LEU 21 2HD2 LEU 21 0.725 8.938 5.157 176 H LEU 22 H LEU 22 -1.986 5.614 4.568 177 HA LEU 22 HA LEU 22 -4.184 4.740 2.808 178 HB2 LEU 22 1HB LEU 22 -3.652 4.143 5.721 179 HB3 LEU 22 2HB LEU 22 -5.128 3.706 4.880 180 HG LEU 22 HG LEU 22 -2.367 2.673 4.286 181 HD11 LEU 22 1HD1 LEU 22 -3.927 1.925 6.330 182 HD12 LEU 22 2HD1 LEU 22 -4.601 0.905 5.057 183 HD13 LEU 22 3HD1 LEU 22 -2.885 0.803 5.452 184 HD21 LEU 22 3HD2 LEU 22 -4.905 2.589 2.800 185 HD22 LEU 22 1HD2 LEU 22 -3.243 2.495 2.220 186 HD23 LEU 22 2HD2 LEU 22 -4.017 1.071 2.917 187 H CYS 23 H CYS 23 -5.960 5.961 2.765 188 HA CYS 23 HA CYS 23 -6.148 8.383 4.296 189 HB2 CYS 23 1HB CYS 23 -8.087 8.869 3.062 190 HB3 CYS 23 2HB CYS 23 -7.094 7.965 1.926 191 H GLU 24 H GLU 24 -8.047 8.798 5.713 192 HA GLU 24 HA GLU 24 -8.063 6.986 7.813 193 HB2 GLU 24 1HB GLU 24 -10.021 9.187 7.188 194 HB3 GLU 24 2HB GLU 24 -9.905 8.358 8.737 195 HG2 GLU 24 1HG GLU 24 -7.569 9.117 8.930 196 HG3 GLU 24 2HG GLU 24 -7.762 10.016 7.426 197 H LYS 25 H LYS 25 -10.078 7.070 5.000 198 HA LYS 25 HA LYS 25 -12.183 5.460 6.070 199 HB2 LYS 25 1HB LYS 25 -11.420 6.039 3.206 200 HB3 LYS 25 2HB LYS 25 -12.907 5.251 3.718 201 HG2 LYS 25 1HG LYS 25 -12.077 8.039 4.488 202 HG3 LYS 25 2HG LYS 25 -13.213 7.635 3.202 203 HD2 LYS 25 1HD LYS 25 -14.658 6.529 4.873 204 HD3 LYS 25 2HD LYS 25 -13.535 7.024 6.141 205 HE2 LYS 25 1HE LYS 25 -15.386 8.562 6.082 206 HE3 LYS 25 2HE LYS 25 -13.935 9.385 5.513 207 HZ1 LYS 25 3HZ LYS 25 -14.684 9.352 3.323 208 HZ2 LYS 25 1HZ LYS 25 -16.082 9.715 4.212 209 HZ3 LYS 25 2HZ LYS 25 -15.837 8.144 3.619 210 H CYS 26 H CYS 26 -9.106 4.774 4.531 211 HA CYS 26 HA CYS 26 -9.778 1.902 4.635 212 HB2 CYS 26 1HB CYS 26 -7.435 2.997 3.088 213 HB3 CYS 26 2HB CYS 26 -8.218 1.433 2.924 214 H ASP 27 H ASP 27 -8.877 3.789 6.739 215 HA ASP 27 HA ASP 27 -6.133 3.478 7.226 216 HB2 ASP 27 1HB ASP 27 -7.507 5.287 8.202 217 HB3 ASP 27 2HB ASP 27 -8.318 4.105 9.222 218 H GLY 28 H GLY 28 -5.003 1.877 7.970 219 HA2 GLY 28 2HA GLY 28 -4.363 0.111 9.310 220 HA3 GLY 28 1HA GLY 28 -5.931 0.184 10.093 221 H LYS 29 H LYS 29 -6.016 -0.094 6.684 222 HA LYS 29 HA LYS 29 -6.760 -2.923 6.970 223 HB2 LYS 29 1HB LYS 29 -7.330 -0.969 4.734 224 HB3 LYS 29 2HB LYS 29 -7.869 -2.637 4.783 225 HG2 LYS 29 1HG LYS 29 -9.250 -2.199 6.684 226 HG3 LYS 29 2HG LYS 29 -8.650 -0.540 6.773 227 HD2 LYS 29 1HD LYS 29 -9.643 -0.000 4.667 228 HD3 LYS 29 2HD LYS 29 -10.069 -1.687 4.377 229 HE2 LYS 29 1HE LYS 29 -11.076 -0.235 6.771 230 HE3 LYS 29 2HE LYS 29 -11.886 -0.064 5.217 231 HZ1 LYS 29 3HZ LYS 29 -12.627 -1.900 6.887 232 HZ2 LYS 29 1HZ LYS 29 -11.308 -2.756 6.256 233 HZ3 LYS 29 2HZ LYS 29 -12.558 -2.249 5.233 234 H CYS 30 H CYS 30 -5.596 -4.494 5.979 235 HA CYS 30 HA CYS 30 -3.106 -3.869 4.691 236 HB2 CYS 30 1HB CYS 30 -3.209 -5.919 5.914 237 HB3 CYS 30 2HB CYS 30 -4.667 -6.430 5.077 238 HA PRO 31 HA PRO 31 -5.111 -2.813 0.859 239 HB2 PRO 31 1HB PRO 31 -2.766 -2.854 -0.646 240 HB3 PRO 31 2HB PRO 31 -3.397 -1.463 0.239 241 HG2 PRO 31 1HG PRO 31 -1.283 -3.416 1.030 242 HG3 PRO 31 2HG PRO 31 -1.369 -1.669 1.323 243 HD2 PRO 31 1HD PRO 31 -1.904 -3.430 3.264 244 HD3 PRO 31 2HD PRO 31 -2.818 -1.913 3.119 245 H ILE 32 H ILE 32 -2.870 -5.490 1.143 246 HA ILE 32 HA ILE 32 -3.319 -6.644 -1.369 247 HB ILE 32 HB ILE 32 -2.458 -8.019 1.175 248 HG12 ILE 32 1HG1 ILE 32 -1.068 -6.026 0.364 249 HG13 ILE 32 2HG1 ILE 32 -0.213 -7.545 0.597 250 HG21 ILE 32 1HG2 ILE 32 -3.198 -9.606 -0.494 251 HG22 ILE 32 2HG2 ILE 32 -2.169 -8.847 -1.708 252 HG23 ILE 32 3HG2 ILE 32 -1.442 -9.675 -0.330 253 HD11 ILE 32 3HD1 ILE 32 -1.260 -7.005 -2.111 254 HD12 ILE 32 1HD1 ILE 32 0.099 -6.025 -1.558 255 HD13 ILE 32 2HD1 ILE 32 0.238 -7.785 -1.601 256 H CYS 33 H CYS 33 -4.806 -7.398 1.790 257 HA CYS 33 HA CYS 33 -6.686 -9.136 0.339 258 HB2 CYS 33 1HB CYS 33 -6.730 -10.576 2.293 259 HB3 CYS 33 2HB CYS 33 -5.068 -10.335 1.767 260 H ASP 34 H ASP 34 -6.552 -6.303 2.086 261 HA ASP 34 HA ASP 34 -8.060 -4.960 3.119 262 HB2 ASP 34 1HB ASP 34 -9.421 -5.479 1.066 263 HB3 ASP 34 2HB ASP 34 -10.199 -6.767 1.976 264 H SER 35 H SER 35 -7.127 -5.883 5.061 265 HA SER 35 HA SER 35 -9.114 -6.927 6.846 266 HB2 SER 35 1HB SER 35 -8.354 -8.980 5.647 267 HB3 SER 35 2HB SER 35 -6.710 -8.657 6.195 268 HG SER 35 HG SER 35 -8.177 -10.149 7.461 269 H TYR 36 H TYR 36 -8.497 -6.743 9.020 270 HA TYR 36 HA TYR 36 -6.257 -4.932 9.471 271 HB2 TYR 36 1HB TYR 36 -8.521 -5.869 11.235 272 HB3 TYR 36 2HB TYR 36 -7.202 -4.872 11.832 273 HD1 TYR 36 HD2 TYR 36 -9.558 -4.846 8.918 274 HD2 TYR 36 HD1 TYR 36 -7.678 -2.645 12.031 275 HE1 TYR 36 HE2 TYR 36 -10.765 -2.829 8.211 276 HE2 TYR 36 HE1 TYR 36 -8.886 -0.619 11.338 277 HH TYR 36 HH TYR 36 -10.181 0.304 9.765 278 H VAL 37 H VAL 37 -5.431 -7.492 8.771 279 HA VAL 37 HA VAL 37 -4.798 -9.032 11.106 280 HB VAL 37 HB VAL 37 -3.892 -9.209 8.236 281 HG11 VAL 37 1HG1 VAL 37 -2.903 -10.739 10.617 282 HG12 VAL 37 2HG1 VAL 37 -2.938 -11.471 9.013 283 HG13 VAL 37 3HG1 VAL 37 -1.978 -10.020 9.299 284 HG21 VAL 37 3HG2 VAL 37 -4.994 -11.539 8.751 285 HG22 VAL 37 1HG2 VAL 37 -5.814 -10.598 9.997 286 HG23 VAL 37 2HG2 VAL 37 -5.962 -10.134 8.301 287 H ARG 38 H ARG 38 -2.828 -9.321 12.053 288 HA ARG 38 HA ARG 38 -1.344 -7.301 12.946 289 HB2 ARG 38 1HB ARG 38 -0.556 -10.113 12.261 290 HB3 ARG 38 2HB ARG 38 0.579 -9.018 13.009 291 HG2 ARG 38 1HG ARG 38 -2.089 -9.782 14.159 292 HG3 ARG 38 2HG ARG 38 -0.544 -10.492 14.624 293 HD2 ARG 38 1HD ARG 38 -0.992 -8.865 16.265 294 HD3 ARG 38 2HD ARG 38 0.202 -8.129 15.198 295 HE ARG 38 HE ARG 38 -2.487 -7.496 14.437 296 HH11 ARG 38 2HH1 ARG 38 0.154 -6.608 16.559 297 HH12 ARG 38 1HH1 ARG 38 -0.454 -5.003 16.852 298 HH21 ARG 38 2HH2 ARG 38 -3.261 -5.390 14.770 299 HH22 ARG 38 1HH2 ARG 38 -2.399 -4.303 15.825 300 HA PRO 39 HA PRO 39 0.713 -5.697 9.295 301 HB2 PRO 39 1HB PRO 39 1.983 -3.660 10.535 302 HB3 PRO 39 2HB PRO 39 0.264 -3.606 10.125 303 HG2 PRO 39 1HG PRO 39 1.564 -4.212 12.749 304 HG3 PRO 39 2HG PRO 39 0.132 -3.222 12.413 305 HD2 PRO 39 1HD PRO 39 -0.019 -5.776 13.325 306 HD3 PRO 39 2HD PRO 39 -1.254 -5.051 12.276 307 H LYS 40 H LYS 40 2.722 -5.922 8.424 308 HA LYS 40 HA LYS 40 4.936 -6.649 10.219 309 HB2 LYS 40 1HB LYS 40 4.035 -8.112 7.749 310 HB3 LYS 40 2HB LYS 40 5.674 -8.254 8.362 311 HG2 LYS 40 1HG LYS 40 3.177 -8.955 9.892 312 HG3 LYS 40 2HG LYS 40 4.240 -10.103 9.074 313 HD2 LYS 40 1HD LYS 40 4.963 -8.301 11.384 314 HD3 LYS 40 2HD LYS 40 4.752 -10.052 11.433 315 HE2 LYS 40 1HE LYS 40 6.837 -8.629 9.787 316 HE3 LYS 40 2HE LYS 40 7.131 -9.331 11.377 317 HZ1 LYS 40 3HZ LYS 40 6.487 -10.720 8.847 318 HZ2 LYS 40 1HZ LYS 40 6.279 -11.475 10.351 319 HZ3 LYS 40 2HZ LYS 40 7.818 -10.951 9.870 320 H ARG 41 H ARG 41 4.706 -6.524 6.689 321 HA ARG 41 HA ARG 41 7.042 -4.820 6.631 322 HB2 ARG 41 1HB ARG 41 5.413 -6.149 4.470 323 HB3 ARG 41 2HB ARG 41 6.747 -5.062 4.119 324 HG2 ARG 41 1HG ARG 41 6.976 -7.601 5.720 325 HG3 ARG 41 2HG ARG 41 7.372 -7.440 4.008 326 HD2 ARG 41 1HD ARG 41 8.704 -6.071 6.339 327 HD3 ARG 41 2HD ARG 41 9.403 -7.284 5.267 328 HE ARG 41 HE ARG 41 8.541 -5.007 3.801 329 HH11 ARG 41 2HH1 ARG 41 11.137 -6.221 5.802 330 HH12 ARG 41 1HH1 ARG 41 12.292 -5.045 5.241 331 HH21 ARG 41 2HH2 ARG 41 10.013 -3.459 3.067 332 HH22 ARG 41 1HH2 ARG 41 11.646 -3.447 3.684 333 H LYS 42 H LYS 42 7.097 -2.708 6.224 334 HA LYS 42 HA LYS 42 4.646 -1.219 6.085 335 HB2 LYS 42 1HB LYS 42 6.699 -0.342 7.196 336 HB3 LYS 42 2HB LYS 42 7.481 -0.261 5.621 337 HG2 LYS 42 1HG LYS 42 5.784 1.335 4.868 338 HG3 LYS 42 2HG LYS 42 5.019 1.262 6.454 339 HD2 LYS 42 1HD LYS 42 7.880 2.095 6.025 340 HD3 LYS 42 2HD LYS 42 6.532 3.232 6.080 341 HE2 LYS 42 1HE LYS 42 5.970 2.345 8.339 342 HE3 LYS 42 2HE LYS 42 7.442 1.377 8.272 343 HZ1 LYS 42 3HZ LYS 42 7.116 4.247 8.652 344 HZ2 LYS 42 1HZ LYS 42 8.443 3.754 7.718 345 HZ3 LYS 42 2HZ LYS 42 8.271 3.191 9.307 346 H VAL 43 H VAL 43 3.619 -0.480 4.394 347 HA VAL 43 HA VAL 43 4.174 -1.578 1.844 348 HB VAL 43 HB VAL 43 2.136 0.369 2.882 349 HG11 VAL 43 1HG1 VAL 43 2.396 -0.608 0.051 350 HG12 VAL 43 2HG1 VAL 43 1.069 0.352 0.703 351 HG13 VAL 43 3HG1 VAL 43 2.690 1.039 0.607 352 HG21 VAL 43 3HG2 VAL 43 2.137 -2.493 1.992 353 HG22 VAL 43 1HG2 VAL 43 1.578 -1.804 3.515 354 HG23 VAL 43 2HG2 VAL 43 0.645 -1.554 2.039 355 H ARG 44 H ARG 44 5.279 -0.772 0.195 356 HA ARG 44 HA ARG 44 5.868 2.109 0.173 357 HB2 ARG 44 1HB ARG 44 7.669 -0.103 -0.837 358 HB3 ARG 44 2HB ARG 44 8.004 1.620 -0.926 359 HG2 ARG 44 1HG ARG 44 8.259 1.785 1.417 360 HG3 ARG 44 2HG ARG 44 7.605 0.163 1.673 361 HD2 ARG 44 1HD ARG 44 10.200 0.885 0.318 362 HD3 ARG 44 2HD ARG 44 10.007 0.107 1.888 363 HE ARG 44 HE ARG 44 8.703 -1.499 0.037 364 HH11 ARG 44 2HH1 ARG 44 11.959 -0.371 0.652 365 HH12 ARG 44 1HH1 ARG 44 12.720 -1.773 -0.045 366 HH21 ARG 44 2HH2 ARG 44 9.695 -3.337 -0.901 367 HH22 ARG 44 1HH2 ARG 44 11.429 -3.452 -0.958 368 H VAL 45 H VAL 45 5.273 3.129 -1.648 369 HA VAL 45 HA VAL 45 3.926 1.591 -3.701 370 HB VAL 45 HB VAL 45 3.464 3.822 -4.739 371 HG11 VAL 45 1HG1 VAL 45 2.279 4.570 -2.371 372 HG12 VAL 45 2HG1 VAL 45 1.617 3.438 -3.550 373 HG13 VAL 45 3HG1 VAL 45 2.532 2.836 -2.169 374 HG21 VAL 45 3HG2 VAL 45 5.048 4.758 -2.365 375 HG22 VAL 45 1HG2 VAL 45 5.235 5.200 -4.063 376 HG23 VAL 45 2HG2 VAL 45 3.850 5.790 -3.144 377 H CYS 46 H CYS 46 4.583 1.420 -5.840 378 HA CYS 46 HA CYS 46 7.362 1.350 -6.312 379 HB2 CYS 46 1HB CYS 46 6.858 0.553 -8.427 380 HB3 CYS 46 2HB CYS 46 5.381 0.147 -7.562 381 H GLU 47 H GLU 47 8.729 2.816 -7.280 382 HA GLU 47 HA GLU 47 8.145 5.497 -6.887 383 HB2 GLU 47 1HB GLU 47 10.432 4.250 -7.210 384 HB3 GLU 47 2HB GLU 47 10.234 4.747 -8.886 385 HG2 GLU 47 1HG GLU 47 11.562 6.379 -7.743 386 HG3 GLU 47 2HG GLU 47 9.994 7.088 -8.129 387 H ASN 48 H ASN 48 7.395 3.502 -9.579 388 HA ASN 48 HA ASN 48 7.136 5.439 -11.612 389 HB2 ASN 48 1HB ASN 48 5.520 2.913 -11.187 390 HB3 ASN 48 2HB ASN 48 5.597 3.840 -12.680 391 HD21 ASN 48 1HD2 ASN 48 6.816 2.947 -14.142 392 HD22 ASN 48 2HD2 ASN 48 8.262 2.029 -13.861 393 H CYS 49 H CYS 49 5.130 4.573 -8.882 394 HA CYS 49 HA CYS 49 2.915 6.229 -9.795 395 HB2 CYS 49 1HB CYS 49 3.345 4.510 -7.355 396 HB3 CYS 49 2HB CYS 49 1.973 5.603 -7.490 397 H SER 50 H SER 50 5.520 6.289 -7.452 398 HA SER 50 HA SER 50 4.417 8.585 -6.127 399 HB2 SER 50 1HB SER 50 6.456 8.267 -4.645 400 HB3 SER 50 2HB SER 50 5.316 6.923 -4.717 401 HG SER 50 HG SER 50 7.927 7.107 -5.648 402 H PHE 51 H PHE 51 6.866 8.098 -8.535 403 HA PHE 51 HA PHE 51 8.642 10.102 -7.905 404 HB2 PHE 51 1HB PHE 51 9.565 9.864 -10.028 405 HB3 PHE 51 2HB PHE 51 8.768 8.320 -9.776 406 HD1 PHE 51 HD2 PHE 51 8.698 11.481 -11.632 407 HD2 PHE 51 HD1 PHE 51 6.871 7.674 -11.105 408 HE1 PHE 51 HE2 PHE 51 7.515 11.760 -13.770 409 HE2 PHE 51 HE1 PHE 51 5.686 7.946 -13.242 410 HZ PHE 51 HZ PHE 51 6.004 9.990 -14.575 411 H GLY 52 H GLY 52 5.526 10.432 -9.487 412 HA2 GLY 52 2HA GLY 52 5.388 13.187 -8.880 413 HA3 GLY 52 1HA GLY 52 5.827 12.981 -10.570 414 H LYS 53 H LYS 53 3.395 13.974 -9.090 415 HA LYS 53 HA LYS 53 1.187 14.146 -9.517 416 HB2 LYS 53 1HB LYS 53 1.692 13.980 -11.873 417 HB3 LYS 53 2HB LYS 53 1.774 12.226 -11.771 418 HG2 LYS 53 1HG LYS 53 -0.595 12.124 -11.248 419 HG3 LYS 53 2HG LYS 53 -0.693 13.884 -11.276 420 HD2 LYS 53 1HD LYS 53 0.064 12.135 -13.615 421 HD3 LYS 53 2HD LYS 53 -1.518 12.871 -13.353 422 HE2 LYS 53 1HE LYS 53 -0.358 15.100 -13.325 423 HE3 LYS 53 2HE LYS 53 1.099 14.265 -13.859 424 HZ1 LYS 53 3HZ LYS 53 -1.493 14.318 -15.313 425 HZ2 LYS 53 1HZ LYS 53 -0.087 13.524 -15.827 426 HZ3 LYS 53 2HZ LYS 53 -0.111 15.218 -15.717 427 H GLN 54 H GLN 54 -0.441 13.377 -8.401 428 HA GLN 54 HA GLN 54 -1.732 11.999 -7.121 429 HB2 GLN 54 1HB GLN 54 -0.789 9.867 -9.053 430 HB3 GLN 54 2HB GLN 54 -2.202 9.767 -8.009 431 HG2 GLN 54 1HG GLN 54 -3.410 11.256 -9.275 432 HG3 GLN 54 2HG GLN 54 -1.963 12.001 -9.954 433 HE21 GLN 54 1HE2 GLN 54 -1.056 9.037 -10.281 434 HE22 GLN 54 2HE2 GLN 54 -1.770 8.594 -11.794 435 H ALA 55 H ALA 55 1.011 12.425 -6.393 436 HA ALA 55 HA ALA 55 1.924 9.841 -5.424 437 HB1 ALA 55 3HB ALA 55 3.408 12.416 -5.121 438 HB2 ALA 55 1HB ALA 55 4.037 10.777 -5.301 439 HB3 ALA 55 2HB ALA 55 3.306 11.601 -6.682 440 H LYS 56 H LYS 56 -0.359 11.013 -4.091 441 HA LYS 56 HA LYS 56 0.724 10.912 -1.405 442 HB2 LYS 56 1HB LYS 56 -0.689 12.846 -0.676 443 HB3 LYS 56 2HB LYS 56 0.700 13.271 -1.648 444 HG2 LYS 56 1HG LYS 56 -2.012 12.952 -2.875 445 HG3 LYS 56 2HG LYS 56 -1.540 14.452 -2.079 446 HD2 LYS 56 1HD LYS 56 -0.149 13.149 -4.421 447 HD3 LYS 56 2HD LYS 56 -1.159 14.592 -4.478 448 HE2 LYS 56 1HE LYS 56 1.462 14.308 -3.010 449 HE3 LYS 56 2HE LYS 56 1.209 15.170 -4.523 450 HZ1 LYS 56 3HZ LYS 56 -0.420 15.958 -2.222 451 HZ2 LYS 56 1HZ LYS 56 0.207 16.902 -3.483 452 HZ3 LYS 56 2HZ LYS 56 1.216 16.400 -2.220 453 H ASN 57 H ASN 57 -1.896 10.497 -3.611 454 HA ASN 57 HA ASN 57 -3.977 10.140 -1.802 455 HB2 ASN 57 1HB ASN 57 -5.206 9.067 -3.568 456 HB3 ASN 57 2HB ASN 57 -4.280 10.395 -4.255 457 HD21 ASN 57 1HD2 ASN 57 -3.075 10.001 -5.953 458 HD22 ASN 57 2HD2 ASN 57 -2.660 8.429 -6.550 459 H CYS 58 H CYS 58 -4.992 8.385 -0.985 460 HA CYS 58 HA CYS 58 -3.381 6.429 0.228 461 HB2 CYS 58 1HB CYS 58 -5.233 7.063 1.440 462 HB3 CYS 58 2HB CYS 58 -6.286 7.058 0.036 463 H ILE 59 H ILE 59 -2.859 4.478 -0.333 464 HA ILE 59 HA ILE 59 -2.992 3.656 -2.969 465 HB ILE 59 HB ILE 59 -2.061 1.482 -2.095 466 HG12 ILE 59 1HG1 ILE 59 -2.394 2.958 0.529 467 HG13 ILE 59 2HG1 ILE 59 -3.127 1.421 0.085 468 HG21 ILE 59 1HG2 ILE 59 -0.215 3.165 -0.820 469 HG22 ILE 59 2HG2 ILE 59 -0.203 2.634 -2.503 470 HG23 ILE 59 3HG2 ILE 59 -0.995 4.147 -2.063 471 HD11 ILE 59 3HD1 ILE 59 -1.420 0.420 1.051 472 HD12 ILE 59 1HD1 ILE 59 -0.386 1.051 -0.229 473 HD13 ILE 59 2HD1 ILE 59 -0.574 1.959 1.284 474 H ILE 60 H ILE 60 -4.951 2.488 -0.241 475 HA ILE 60 HA ILE 60 -5.969 0.262 -1.603 476 HB ILE 60 HB ILE 60 -7.049 1.707 0.810 477 HG12 ILE 60 1HG1 ILE 60 -5.439 -0.826 0.439 478 HG13 ILE 60 2HG1 ILE 60 -4.877 0.686 1.147 479 HG21 ILE 60 1HG2 ILE 60 -7.911 -1.006 0.669 480 HG22 ILE 60 2HG2 ILE 60 -8.880 0.464 0.767 481 HG23 ILE 60 3HG2 ILE 60 -8.398 -0.171 -0.807 482 HD11 ILE 60 3HD1 ILE 60 -5.445 -1.191 2.743 483 HD12 ILE 60 1HD1 ILE 60 -6.169 0.381 3.080 484 HD13 ILE 60 2HD1 ILE 60 -7.134 -0.891 2.333 485 H CYS 61 H CYS 61 -7.273 3.561 -1.380 486 HA CYS 61 HA CYS 61 -9.473 2.647 -3.093 487 HB2 CYS 61 1HB CYS 61 -10.564 4.844 -2.620 488 HB3 CYS 61 2HB CYS 61 -10.368 3.807 -1.208 489 H ASN 62 H ASN 62 -6.640 4.621 -3.009 490 HA ASN 62 HA ASN 62 -5.514 5.811 -4.555 491 HB2 ASN 62 1HB ASN 62 -5.740 3.567 -5.716 492 HB3 ASN 62 2HB ASN 62 -7.105 4.248 -6.598 493 HD21 ASN 62 1HD2 ASN 62 -6.752 5.877 -8.076 494 HD22 ASN 62 2HD2 ASN 62 -5.193 6.161 -8.747 495 H LEU 63 H LEU 63 -7.287 7.331 -3.522 496 HA LEU 63 HA LEU 63 -8.376 8.980 -5.635 497 HB2 LEU 63 1HB LEU 63 -9.896 6.899 -4.992 498 HB3 LEU 63 2HB LEU 63 -10.365 7.942 -3.666 499 HG LEU 63 HG LEU 63 -11.958 8.081 -5.498 500 HD11 LEU 63 1HD1 LEU 63 -10.329 10.601 -5.235 501 HD12 LEU 63 2HD1 LEU 63 -11.991 10.498 -5.817 502 HD13 LEU 63 3HD1 LEU 63 -11.613 10.074 -4.147 503 HD21 LEU 63 3HD2 LEU 63 -11.378 8.166 -7.638 504 HD22 LEU 63 1HD2 LEU 63 -10.262 9.505 -7.367 505 HD23 LEU 63 2HD2 LEU 63 -9.731 7.842 -7.098 506 H ASN 64 H ASN 64 -8.840 8.265 -2.175 507 HA ASN 64 HA ASN 64 -8.849 11.102 -1.525 508 HB2 ASN 64 1HB ASN 64 -9.128 8.640 0.218 509 HB3 ASN 64 2HB ASN 64 -9.260 10.298 0.799 510 HD21 ASN 64 1HD2 ASN 64 -10.958 7.673 -0.282 511 HD22 ASN 64 2HD2 ASN 64 -12.440 8.460 -0.716 512 H VAL 65 H VAL 65 -7.240 12.137 -0.302 513 HA VAL 65 HA VAL 65 -4.621 11.206 -0.730 514 HB VAL 65 HB VAL 65 -5.190 13.598 -0.532 515 HG11 VAL 65 1HG1 VAL 65 -4.976 14.007 2.218 516 HG12 VAL 65 2HG1 VAL 65 -6.390 14.262 1.194 517 HG13 VAL 65 3HG1 VAL 65 -6.155 12.713 1.999 518 HG21 VAL 65 3HG2 VAL 65 -2.919 12.243 0.650 519 HG22 VAL 65 1HG2 VAL 65 -2.966 13.705 -0.336 520 HG23 VAL 65 2HG2 VAL 65 -3.208 13.809 1.409 521 H GLY 66 H GLY 66 -3.140 10.203 0.535 522 HA2 GLY 66 2HA GLY 66 -4.174 8.473 2.535 523 HA3 GLY 66 1HA GLY 66 -2.498 8.605 2.042 524 H VAL 67 H VAL 67 -3.608 8.248 4.697 525 HA VAL 67 HA VAL 67 -2.669 10.732 5.973 526 HB VAL 67 HB VAL 67 -4.633 8.709 7.060 527 HG11 VAL 67 1HG1 VAL 67 -4.225 11.407 8.251 528 HG12 VAL 67 2HG1 VAL 67 -4.770 9.906 9.001 529 HG13 VAL 67 3HG1 VAL 67 -3.064 10.127 8.613 530 HG21 VAL 67 3HG2 VAL 67 -5.175 10.488 5.118 531 HG22 VAL 67 1HG2 VAL 67 -6.353 9.967 6.326 532 HG23 VAL 67 2HG2 VAL 67 -5.478 11.485 6.543 533 H ASN 68 H ASN 68 -3.095 7.268 6.755 534 HA ASN 68 HA ASN 68 -0.509 7.388 8.178 535 HB2 ASN 68 1HB ASN 68 -2.851 5.534 8.651 536 HB3 ASN 68 2HB ASN 68 -1.325 5.482 9.521 537 HD21 ASN 68 1HD2 ASN 68 -4.404 6.437 9.764 538 HD22 ASN 68 2HD2 ASN 68 -4.235 7.767 10.870 539 H ASP 69 H ASP 69 1.056 5.949 7.725 540 HA ASP 69 HA ASP 69 1.171 4.730 5.189 541 HB2 ASP 69 1HB ASP 69 2.853 3.955 7.588 542 HB3 ASP 69 2HB ASP 69 3.289 3.840 5.887 543 H ALA 70 H ALA 70 0.790 2.764 4.449 544 HA ALA 70 HA ALA 70 -0.780 0.945 6.051 545 HB1 ALA 70 3HB ALA 70 -1.700 0.669 4.049 546 HB2 ALA 70 1HB ALA 70 -0.337 1.444 3.241 547 HB3 ALA 70 2HB ALA 70 -0.276 -0.280 3.616 548 H PHE 71 H PHE 71 -0.349 -1.344 6.129 549 HA PHE 71 HA PHE 71 2.445 -2.141 5.792 550 HB2 PHE 71 1HB PHE 71 0.875 -2.307 8.347 551 HB3 PHE 71 2HB PHE 71 2.062 -3.547 7.974 552 HD1 PHE 71 HD1 PHE 71 1.795 0.178 8.105 553 HD2 PHE 71 HD2 PHE 71 4.193 -3.280 8.760 554 HE1 PHE 71 HE1 PHE 71 3.569 1.589 9.055 555 HE2 PHE 71 HE2 PHE 71 5.966 -1.871 9.715 556 HZ PHE 71 HZ PHE 71 5.656 0.566 9.867 557 H TYR 72 H TYR 72 2.641 -4.132 4.937 558 HA TYR 72 HA TYR 72 0.333 -5.586 4.061 559 HB2 TYR 72 1HB TYR 72 3.199 -6.562 4.224 560 HB3 TYR 72 2HB TYR 72 1.903 -7.278 3.278 561 HD1 TYR 72 HD1 TYR 72 1.148 -6.213 1.200 562 HD2 TYR 72 HD2 TYR 72 4.368 -4.600 3.461 563 HE1 TYR 72 HE1 TYR 72 1.842 -4.882 -0.749 564 HE2 TYR 72 HE2 TYR 72 5.063 -3.255 1.528 565 HH TYR 72 HH TYR 72 3.489 -3.592 -1.619 566 H CYS 73 H CYS 73 -0.789 -7.073 5.173 567 HA CYS 73 HA CYS 73 -0.228 -7.439 7.914 568 HB2 CYS 73 1HB CYS 73 -2.281 -8.498 8.079 569 HB3 CYS 73 2HB CYS 73 -2.508 -7.467 6.671 570 H TRP 74 H TRP 74 -0.047 -9.470 9.027 571 HA TRP 74 HA TRP 74 2.225 -10.840 8.495 572 HB2 TRP 74 1HB TRP 74 1.187 -10.921 10.658 573 HB3 TRP 74 2HB TRP 74 -0.225 -11.745 10.011 574 HD1 TRP 74 HD1 TRP 74 3.589 -12.544 10.079 575 HE1 TRP 74 HE1 TRP 74 3.850 -15.025 10.714 576 HE3 TRP 74 HE3 TRP 74 -1.350 -13.781 10.539 577 HZ2 TRP 74 HZ2 TRP 74 2.181 -17.212 11.317 578 HZ3 TRP 74 HZ3 TRP 74 -1.933 -16.092 11.144 579 HH2 TRP 74 HH2 TRP 74 -0.200 -17.772 11.528 580 H GLU 75 H GLU 75 -1.048 -12.031 7.762 581 HA GLU 75 HA GLU 75 -0.279 -14.487 6.709 582 HB2 GLU 75 1HB GLU 75 -2.685 -12.855 5.891 583 HB3 GLU 75 2HB GLU 75 -2.486 -14.591 5.695 584 HG2 GLU 75 1HG GLU 75 -2.360 -14.818 8.149 585 HG3 GLU 75 2HG GLU 75 -2.677 -13.088 8.293 586 H CYS 76 H CYS 76 -0.737 -11.388 5.051 587 HA CYS 76 HA CYS 76 -0.218 -12.418 2.457 588 HB2 CYS 76 1HB CYS 76 -0.165 -9.617 3.563 589 HB3 CYS 76 2HB CYS 76 0.166 -9.983 1.873 590 H CYS 77 H CYS 77 1.816 -11.107 5.002 591 HA CYS 77 HA CYS 77 4.199 -10.970 3.437 592 HB2 CYS 77 1HB CYS 77 3.849 -11.198 6.436 593 HB3 CYS 77 2HB CYS 77 5.359 -10.810 5.614 594 HG CYS 77 HG CYS 77 2.602 -8.886 6.040 595 H ARG 78 H ARG 78 2.665 -13.408 5.428 596 HA ARG 78 HA ARG 78 4.678 -15.386 5.379 597 HB2 ARG 78 1HB ARG 78 2.867 -15.630 6.908 598 HB3 ARG 78 2HB ARG 78 1.673 -15.478 5.630 599 HG2 ARG 78 1HG ARG 78 1.709 -17.741 6.288 600 HG3 ARG 78 2HG ARG 78 2.501 -17.655 4.716 601 HD2 ARG 78 1HD ARG 78 4.671 -17.792 5.754 602 HD3 ARG 78 2HD ARG 78 3.944 -17.727 7.360 603 HE ARG 78 HE ARG 78 2.837 -19.894 5.958 604 HH11 ARG 78 2HH1 ARG 78 5.872 -18.908 7.386 605 HH12 ARG 78 1HH1 ARG 78 6.397 -20.530 7.725 606 HH21 ARG 78 2HH2 ARG 78 3.521 -22.042 6.386 607 HH22 ARG 78 1HH2 ARG 78 5.082 -22.314 7.116 608 H LEU 79 H LEU 79 1.917 -14.750 3.246 609 HA LEU 79 HA LEU 79 2.470 -16.834 1.394 610 HB2 LEU 79 1HB LEU 79 0.940 -14.255 1.022 611 HB3 LEU 79 2HB LEU 79 0.938 -15.597 -0.104 612 HG LEU 79 HG LEU 79 -0.108 -15.707 2.727 613 HD11 LEU 79 1HD1 LEU 79 -2.206 -15.323 1.945 614 HD12 LEU 79 2HD1 LEU 79 -1.305 -14.376 0.761 615 HD13 LEU 79 3HD1 LEU 79 -1.857 -16.002 0.355 616 HD21 LEU 79 3HD2 LEU 79 -0.587 -17.911 2.420 617 HD22 LEU 79 1HD2 LEU 79 -0.764 -17.741 0.674 618 HD23 LEU 79 2HD2 LEU 79 0.845 -17.806 1.393 619 H GLY 80 H GLY 80 3.625 -13.603 1.821 620 HA2 GLY 80 2HA GLY 80 5.552 -12.665 0.894 621 HA3 GLY 80 1HA GLY 80 5.608 -13.981 -0.270 622 H LYS 81 H LYS 81 2.826 -11.934 0.426 623 HA LYS 81 HA LYS 81 2.715 -11.197 -2.384 624 HB2 LYS 81 1HB LYS 81 0.780 -10.618 -0.135 625 HB3 LYS 81 2HB LYS 81 0.510 -10.245 -1.834 626 HG2 LYS 81 1HG LYS 81 0.898 -12.769 -2.210 627 HG3 LYS 81 2HG LYS 81 0.603 -12.909 -0.477 628 HD2 LYS 81 1HD LYS 81 -1.453 -13.285 -1.694 629 HD3 LYS 81 2HD LYS 81 -1.566 -11.775 -0.789 630 HE2 LYS 81 1HE LYS 81 -2.474 -11.586 -3.075 631 HE3 LYS 81 2HE LYS 81 -1.124 -10.493 -2.782 632 HZ1 LYS 81 3HZ LYS 81 0.118 -11.490 -4.332 633 HZ2 LYS 81 1HZ LYS 81 -1.340 -12.153 -4.892 634 HZ3 LYS 81 2HZ LYS 81 -0.348 -13.053 -3.859 635 H ASP 82 H ASP 82 4.034 -10.031 0.433 636 HA ASP 82 HA ASP 82 3.894 -7.204 -0.104 637 HB2 ASP 82 1HB ASP 82 5.664 -6.994 1.558 638 HB3 ASP 82 2HB ASP 82 4.426 -8.088 2.164 639 H LYS 83 H LYS 83 5.641 -9.937 -1.185 640 HA LYS 83 HA LYS 83 7.863 -8.575 -2.357 641 HB2 LYS 83 1HB LYS 83 6.752 -11.326 -2.932 642 HB3 LYS 83 2HB LYS 83 8.323 -10.726 -3.440 643 HG2 LYS 83 1HG LYS 83 9.052 -10.572 -1.145 644 HG3 LYS 83 2HG LYS 83 7.452 -11.052 -0.577 645 HD2 LYS 83 1HD LYS 83 8.930 -12.954 -0.487 646 HD3 LYS 83 2HD LYS 83 7.732 -13.214 -1.756 647 HE2 LYS 83 1HE LYS 83 9.395 -12.425 -3.417 648 HE3 LYS 83 2HE LYS 83 10.589 -12.322 -2.124 649 HZ1 LYS 83 3HZ LYS 83 10.713 -14.592 -1.929 650 HZ2 LYS 83 1HZ LYS 83 10.427 -14.444 -3.595 651 HZ3 LYS 83 2HZ LYS 83 9.156 -14.854 -2.551 652 H ASP 84 H ASP 84 4.592 -9.206 -3.280 653 HA ASP 84 HA ASP 84 4.795 -9.149 -6.079 654 HB2 ASP 84 1HB ASP 84 2.569 -8.263 -4.232 655 HB3 ASP 84 2HB ASP 84 2.417 -8.236 -5.983 656 H GLY 85 H GLY 85 3.971 -6.481 -3.858 657 HA2 GLY 85 2HA GLY 85 5.707 -4.685 -4.110 658 HA3 GLY 85 1HA GLY 85 5.242 -4.662 -5.799 659 H CYS 86 H CYS 86 4.446 -2.789 -6.095 660 HA CYS 86 HA CYS 86 3.261 -1.029 -4.352 661 HB2 CYS 86 1HB CYS 86 4.276 -0.644 -6.617 662 HB3 CYS 86 2HB CYS 86 2.799 -1.258 -7.330 663 HA PRO 87 HA PRO 87 -0.763 -3.068 -4.180 664 HB2 PRO 87 1HB PRO 87 -1.440 -2.323 -1.716 665 HB3 PRO 87 2HB PRO 87 -0.176 -3.528 -1.994 666 HG2 PRO 87 1HG PRO 87 0.078 -0.640 -1.295 667 HG3 PRO 87 2HG PRO 87 1.036 -2.019 -0.732 668 HD2 PRO 87 1HD PRO 87 1.775 -0.254 -2.756 669 HD3 PRO 87 2HD PRO 87 2.471 -1.864 -2.490 670 H ARG 88 H ARG 88 -0.480 -0.511 -5.554 671 HA ARG 88 HA ARG 88 -2.718 1.055 -4.539 672 HB2 ARG 88 1HB ARG 88 -0.664 1.483 -6.651 673 HB3 ARG 88 2HB ARG 88 -2.211 2.304 -6.820 674 HG2 ARG 88 1HG ARG 88 -1.839 3.104 -4.426 675 HG3 ARG 88 2HG ARG 88 -0.166 2.588 -4.653 676 HD2 ARG 88 1HD ARG 88 0.169 4.117 -6.415 677 HD3 ARG 88 2HD ARG 88 -1.559 4.435 -6.569 678 HE ARG 88 HE ARG 88 -0.840 5.170 -3.996 679 HH11 ARG 88 2HH1 ARG 88 -0.143 6.144 -7.275 680 HH12 ARG 88 1HH1 ARG 88 0.208 7.793 -6.850 681 HH21 ARG 88 2HH2 ARG 88 -0.440 7.354 -3.431 682 HH22 ARG 88 1HH2 ARG 88 0.012 8.479 -4.673 683 H ILE 89 H ILE 89 -4.710 0.945 -5.265 684 HA ILE 89 HA ILE 89 -5.494 -1.148 -7.025 685 HB ILE 89 HB ILE 89 -7.033 1.159 -5.841 686 HG12 ILE 89 1HG1 ILE 89 -6.256 -0.526 -4.241 687 HG13 ILE 89 2HG1 ILE 89 -8.004 -0.610 -4.421 688 HG21 ILE 89 1HG2 ILE 89 -8.940 -0.640 -6.547 689 HG22 ILE 89 2HG2 ILE 89 -8.514 0.789 -7.490 690 HG23 ILE 89 3HG2 ILE 89 -7.819 -0.778 -7.903 691 HD11 ILE 89 3HD1 ILE 89 -7.941 -2.697 -5.225 692 HD12 ILE 89 1HD1 ILE 89 -6.502 -2.394 -6.198 693 HD13 ILE 89 2HD1 ILE 89 -6.347 -2.742 -4.476 694 H LEU 90 H LEU 90 -5.526 -1.165 -9.139 695 HA LEU 90 HA LEU 90 -6.463 0.913 -10.773 696 HB2 LEU 90 1HB LEU 90 -4.223 1.330 -11.971 697 HB3 LEU 90 2HB LEU 90 -4.555 2.189 -10.482 698 HG LEU 90 HG LEU 90 -3.180 0.362 -9.319 699 HD11 LEU 90 1HD1 LEU 90 -2.899 -0.434 -12.115 700 HD12 LEU 90 2HD1 LEU 90 -1.370 -0.281 -11.249 701 HD13 LEU 90 3HD1 LEU 90 -2.630 -1.353 -10.632 702 HD21 LEU 90 3HD2 LEU 90 -1.052 1.533 -10.587 703 HD22 LEU 90 1HD2 LEU 90 -2.356 2.686 -10.865 704 HD23 LEU 90 2HD2 LEU 90 -1.938 2.209 -9.219 705 H ASN 91 H ASN 91 -4.537 -1.980 -10.488 706 HA ASN 91 HA ASN 91 -4.246 -3.841 -11.726 707 HB2 ASN 91 1HB ASN 91 -6.795 -3.789 -11.829 708 HB3 ASN 91 2HB ASN 91 -6.613 -3.094 -13.432 709 HD21 ASN 91 1HD2 ASN 91 -6.950 -5.881 -11.753 710 HD22 ASN 91 2HD2 ASN 91 -6.371 -7.000 -12.921 711 H LEU 92 H LEU 92 -2.445 -3.706 -12.776 712 HA LEU 92 HA LEU 92 -0.866 -3.379 -14.300 713 HB2 LEU 92 1HB LEU 92 -1.368 -3.609 -16.605 714 HB3 LEU 92 2HB LEU 92 -2.435 -4.651 -15.693 715 HG LEU 92 HG LEU 92 -4.054 -2.520 -15.998 716 HD11 LEU 92 1HD1 LEU 92 -3.814 -1.785 -18.374 717 HD12 LEU 92 2HD1 LEU 92 -2.562 -1.181 -17.287 718 HD13 LEU 92 3HD1 LEU 92 -2.211 -2.522 -18.377 719 HD21 LEU 92 3HD2 LEU 92 -3.804 -4.449 -18.263 720 HD22 LEU 92 1HD2 LEU 92 -4.220 -5.031 -16.649 721 HD23 LEU 92 2HD2 LEU 92 -5.250 -3.845 -17.452 722 H GLY 93 H GLY 93 -3.367 -0.894 -14.569 723 HA2 GLY 93 2HA GLY 93 -1.839 1.213 -13.892 724 HA3 GLY 93 1HA GLY 93 -1.484 1.048 -15.605 725 H SER 94 H SER 94 -4.644 0.088 -14.713 726 HA SER 94 HA SER 94 -6.689 0.896 -15.247 727 HB2 SER 94 1HB SER 94 -5.419 3.507 -14.388 728 HB3 SER 94 2HB SER 94 -7.150 3.263 -14.636 729 HG SER 94 HG SER 94 -6.544 1.341 -13.074 730 H ASN 95 H ASN 95 -5.362 0.374 -17.445 731 HA ASN 95 HA ASN 95 -6.354 2.366 -19.291 732 HB2 ASN 95 1HB ASN 95 -4.222 2.543 -20.550 733 HB3 ASN 95 2HB ASN 95 -4.120 3.235 -18.937 734 HD21 ASN 95 1HD2 ASN 95 -2.373 2.755 -17.846 735 HD22 ASN 95 2HD2 ASN 95 -1.363 1.371 -18.085 736 H ARG 96 H ARG 96 -7.031 -0.274 -18.558 737 HA ARG 96 HA ARG 96 -7.195 -1.389 -21.210 738 HB2 ARG 96 1HB ARG 96 -5.225 -2.394 -19.493 739 HB3 ARG 96 2HB ARG 96 -6.556 -3.531 -19.346 740 HG2 ARG 96 1HG ARG 96 -5.272 -2.697 -21.937 741 HG3 ARG 96 2HG ARG 96 -4.913 -4.180 -21.054 742 HD2 ARG 96 1HD ARG 96 -7.312 -4.814 -21.279 743 HD3 ARG 96 2HD ARG 96 -7.542 -3.394 -22.301 744 HE ARG 96 HE ARG 96 -5.416 -4.896 -23.344 745 HH11 ARG 96 2HH1 ARG 96 -8.884 -5.081 -22.955 746 HH12 ARG 96 1HH1 ARG 96 -9.118 -6.168 -24.287 747 HH21 ARG 96 2HH2 ARG 96 -5.701 -6.318 -25.104 748 HH22 ARG 96 1HH2 ARG 96 -7.292 -6.887 -25.510 749 H LEU 97 H LEU 97 -9.270 -1.860 -21.441 750 HA LEU 97 HA LEU 97 -11.464 -2.255 -20.980 751 HB2 LEU 97 1HB LEU 97 -10.406 -3.781 -18.598 752 HB3 LEU 97 2HB LEU 97 -12.048 -3.853 -19.204 753 HG LEU 97 HG LEU 97 -9.575 -4.812 -20.646 754 HD11 LEU 97 1HD1 LEU 97 -10.701 -7.026 -20.393 755 HD12 LEU 97 2HD1 LEU 97 -10.145 -6.310 -18.880 756 HD13 LEU 97 3HD1 LEU 97 -11.854 -6.252 -19.307 757 HD21 LEU 97 3HD2 LEU 97 -12.369 -5.333 -21.565 758 HD22 LEU 97 1HD2 LEU 97 -11.581 -3.811 -21.988 759 HD23 LEU 97 2HD2 LEU 97 -10.862 -5.343 -22.482 760 H ASP 98 H ASP 98 -10.580 0.156 -20.298 761 HA ASP 98 HA ASP 98 -12.164 0.870 -17.952 762 HB2 ASP 98 1HB ASP 98 -9.773 0.459 -17.230 763 HB3 ASP 98 2HB ASP 98 -9.291 1.783 -18.283 764 H ARG 99 H ARG 99 -10.346 3.502 -18.448 765 HA ARG 99 HA ARG 99 -12.163 4.703 -20.371 766 HB2 ARG 99 1HB ARG 99 -9.913 5.722 -18.678 767 HB3 ARG 99 2HB ARG 99 -10.377 6.632 -20.106 768 HG2 ARG 99 1HG ARG 99 -11.860 7.653 -18.815 769 HG3 ARG 99 2HG ARG 99 -12.781 6.150 -18.849 770 HD2 ARG 99 1HD ARG 99 -10.619 6.661 -16.828 771 HD3 ARG 99 2HD ARG 99 -12.285 7.173 -16.568 772 HE ARG 99 HE ARG 99 -11.231 4.511 -16.378 773 HH11 ARG 99 2HH1 ARG 99 -14.132 6.399 -16.972 774 HH12 ARG 99 1HH1 ARG 99 -15.217 5.101 -16.559 775 HH21 ARG 99 2HH2 ARG 99 -12.654 2.794 -15.860 776 HH22 ARG 99 1HH2 ARG 99 -14.377 3.050 -15.953 777 H HIS 100 H HIS 100 -11.603 3.106 -21.978 778 HA HIS 100 HA HIS 100 -9.376 3.906 -23.678 779 HB2 HIS 100 1HB HIS 100 -8.799 2.057 -21.826 780 HB3 HIS 100 2HB HIS 100 -9.571 1.004 -22.999 781 HD1 HIS 100 HD1 HIS 100 -7.164 -0.110 -23.101 782 HD2 HIS 100 HD2 HIS 100 -7.464 3.724 -24.682 783 HE1 HIS 100 HE1 HIS 100 -5.047 0.250 -24.402 784 HE2 HIS 100 HE2 HIS 100 -5.373 2.463 -25.555 785 H PHE 101 H PHE 101 -9.872 3.509 -25.815 786 HA PHE 101 HA PHE 101 -12.520 2.951 -26.457 787 HB2 PHE 101 1HB PHE 101 -11.823 2.938 -28.805 788 HB3 PHE 101 2HB PHE 101 -11.108 4.277 -27.926 789 HD1 PHE 101 HD2 PHE 101 -10.431 1.023 -29.508 790 HD2 PHE 101 HD1 PHE 101 -8.760 4.504 -27.717 791 HE1 PHE 101 HE2 PHE 101 -8.219 0.411 -30.390 792 HE2 PHE 101 HE1 PHE 101 -6.546 3.904 -28.606 793 HZ PHE 101 HZ PHE 101 -6.272 1.853 -29.942 794 H GLU 102 H GLU 102 -9.705 0.826 -26.491 795 HA GLU 102 HA GLU 102 -9.488 -1.424 -26.653 796 HB2 GLU 102 1HB GLU 102 -12.199 -1.323 -25.318 797 HB3 GLU 102 2HB GLU 102 -11.151 -2.733 -25.373 798 HG2 GLU 102 1HG GLU 102 -10.455 -0.113 -24.068 799 HG3 GLU 102 2HG GLU 102 -11.084 -1.524 -23.225 800 H LYS 103 H LYS 103 -12.712 -2.419 -26.767 801 HA LYS 103 HA LYS 103 -12.556 -2.723 -29.697 802 HB2 LYS 103 1HB LYS 103 -13.703 -4.687 -27.704 803 HB3 LYS 103 2HB LYS 103 -13.671 -4.895 -29.449 804 HG2 LYS 103 1HG LYS 103 -11.231 -4.939 -29.404 805 HG3 LYS 103 2HG LYS 103 -11.258 -4.725 -27.651 806 HD2 LYS 103 1HD LYS 103 -12.493 -6.832 -27.424 807 HD3 LYS 103 2HD LYS 103 -12.440 -7.049 -29.174 808 HE2 LYS 103 1HE LYS 103 -10.055 -6.902 -27.333 809 HE3 LYS 103 2HE LYS 103 -10.714 -8.369 -28.056 810 HZ1 LYS 103 3HZ LYS 103 -9.547 -7.998 -29.882 811 HZ2 LYS 103 1HZ LYS 103 -8.805 -6.672 -29.124 812 HZ3 LYS 103 2HZ LYS 103 -10.201 -6.447 -30.065 813 H LYS 104 H LYS 104 -14.771 -2.694 -26.920 814 HA LYS 104 HA LYS 104 -17.047 -2.236 -28.649 815 HB2 LYS 104 1HB LYS 104 -16.786 -2.476 -25.648 816 HB3 LYS 104 2HB LYS 104 -18.314 -2.257 -26.488 817 HG2 LYS 104 1HG LYS 104 -18.102 -4.377 -27.571 818 HG3 LYS 104 2HG LYS 104 -16.458 -4.578 -26.957 819 HD2 LYS 104 1HD LYS 104 -17.227 -4.801 -24.722 820 HD3 LYS 104 2HD LYS 104 -18.852 -4.273 -25.158 821 HE2 LYS 104 1HE LYS 104 -18.769 -6.684 -24.808 822 HE3 LYS 104 2HE LYS 104 -19.167 -6.293 -26.479 823 HZ1 LYS 104 3HZ LYS 104 -17.159 -7.954 -25.590 824 HZ2 LYS 104 1HZ LYS 104 -16.363 -6.567 -26.155 825 HZ3 LYS 104 2HZ LYS 104 -17.416 -7.416 -27.180 826 H LYS 105 H LYS 105 -15.813 -0.584 -25.765 827 HA LYS 105 HA LYS 105 -17.333 1.772 -26.337 828 HB2 LYS 105 1HB LYS 105 -16.130 2.646 -24.278 829 HB3 LYS 105 2HB LYS 105 -17.140 1.224 -24.057 830 HG2 LYS 105 1HG LYS 105 -15.213 -0.208 -24.017 831 HG3 LYS 105 2HG LYS 105 -14.155 1.139 -24.431 832 HD2 LYS 105 1HD LYS 105 -13.948 0.726 -22.085 833 HD3 LYS 105 2HD LYS 105 -14.829 2.237 -22.297 834 HE2 LYS 105 1HE LYS 105 -16.262 -0.370 -21.916 835 HE3 LYS 105 2HE LYS 105 -15.671 0.557 -20.540 836 HZ1 LYS 105 3HZ LYS 105 -17.685 1.504 -20.674 837 HZ2 LYS 105 1HZ LYS 105 -17.915 1.078 -22.300 838 HZ3 LYS 105 2HZ LYS 105 -16.984 2.443 -21.900 839 H LYS 106 H LYS 106 -15.942 1.687 -28.531 840 HA LYS 106 HA LYS 106 -13.414 3.063 -28.301 841 HB2 LYS 106 1HB LYS 106 -15.043 2.382 -30.755 842 HB3 LYS 106 2HB LYS 106 -13.410 3.036 -30.767 843 HG2 LYS 106 1HG LYS 106 -12.749 0.995 -29.404 844 HG3 LYS 106 2HG LYS 106 -14.328 0.336 -29.834 845 HD2 LYS 106 1HD LYS 106 -12.211 1.235 -31.788 846 HD3 LYS 106 2HD LYS 106 -12.544 -0.437 -31.341 847 HE2 LYS 106 1HE LYS 106 -14.820 -0.208 -32.229 848 HE3 LYS 106 2HE LYS 106 -14.462 1.455 -32.698 849 HZ1 LYS 106 3HZ LYS 106 -12.683 0.587 -34.135 850 HZ2 LYS 106 1HZ LYS 106 -14.212 0.010 -34.586 851 HZ3 LYS 106 2HZ LYS 106 -13.142 -0.996 -33.739 852 H VAL 107 H VAL 107 -15.278 4.562 -27.050 853 HA VAL 107 HA VAL 107 -15.315 6.967 -28.717 854 HB VAL 107 HB VAL 107 -17.662 6.049 -27.035 855 HG11 VAL 107 1HG1 VAL 107 -18.736 8.093 -27.510 856 HG12 VAL 107 2HG1 VAL 107 -17.106 8.526 -26.993 857 HG13 VAL 107 3HG1 VAL 107 -17.522 8.543 -28.707 858 HG21 VAL 107 3HG2 VAL 107 -18.602 6.610 -29.552 859 HG22 VAL 107 1HG2 VAL 107 -17.044 5.850 -29.879 860 HG23 VAL 107 2HG2 VAL 107 -18.255 5.000 -28.919 Start of MODEL 5 1 H1 GLY -1 1H GLY -1 8.493 -4.137 -15.282 2 H2 GLY -1 2H GLY -1 7.844 -3.312 -13.949 3 H3 GLY -1 3H GLY -1 6.925 -3.505 -15.357 4 HA2 GLY -1 1HA GLY -1 7.594 -6.059 -14.690 5 HA3 GLY -1 2HA GLY -1 7.249 -5.284 -13.150 6 H GLY 0 H GLY 0 5.324 -6.350 -12.761 7 HA2 GLY 0 2HA GLY 0 2.967 -5.209 -13.462 8 HA3 GLY 0 1HA GLY 0 3.225 -6.375 -14.753 9 H SER 1 H SER 1 4.417 -8.421 -13.355 10 HA SER 1 HA SER 1 3.952 -10.293 -12.183 11 HB2 SER 1 1HB SER 1 4.131 -8.715 -10.254 12 HB3 SER 1 2HB SER 1 2.390 -8.472 -10.333 13 HG SER 1 HG SER 1 3.683 -10.349 -9.027 14 H SER 2 H SER 2 1.348 -10.504 -10.607 15 HA SER 2 HA SER 2 -0.818 -10.396 -12.436 16 HB2 SER 2 1HB SER 2 0.503 -12.241 -13.490 17 HB3 SER 2 2HB SER 2 0.403 -13.141 -11.978 18 HG SER 2 HG SER 2 -1.603 -12.577 -13.871 19 H ARG 3 H ARG 3 -1.561 -13.162 -11.086 20 HA ARG 3 HA ARG 3 -2.699 -13.881 -9.254 21 HB2 ARG 3 1HB ARG 3 -0.968 -11.950 -7.706 22 HB3 ARG 3 2HB ARG 3 -1.769 -13.388 -7.090 23 HG2 ARG 3 1HG ARG 3 -0.330 -14.795 -8.462 24 HG3 ARG 3 2HG ARG 3 0.462 -13.357 -9.113 25 HD2 ARG 3 1HD ARG 3 1.867 -14.194 -7.401 26 HD3 ARG 3 2HD ARG 3 1.080 -12.755 -6.755 27 HE ARG 3 HE ARG 3 -0.428 -15.038 -6.069 28 HH11 ARG 3 2HH1 ARG 3 2.495 -13.320 -5.261 29 HH12 ARG 3 1HH1 ARG 3 2.688 -14.089 -3.712 30 HH21 ARG 3 2HH2 ARG 3 -0.227 -16.033 -4.028 31 HH22 ARG 3 1HH2 ARG 3 1.135 -15.653 -3.005 32 H HIS 4 H HIS 4 -4.268 -12.309 -10.552 33 HA HIS 4 HA HIS 4 -5.412 -10.533 -8.508 34 HB2 HIS 4 1HB HIS 4 -6.212 -9.067 -10.402 35 HB3 HIS 4 2HB HIS 4 -4.479 -9.048 -10.112 36 HD1 HIS 4 HD1 HIS 4 -7.004 -10.533 -12.523 37 HD2 HIS 4 HD2 HIS 4 -2.945 -9.665 -12.279 38 HE1 HIS 4 HE1 HIS 4 -6.063 -11.046 -14.797 39 HE2 HIS 4 HE2 HIS 4 -3.574 -10.718 -14.556 40 H GLN 5 H GLN 5 -7.364 -11.028 -7.930 41 HA GLN 5 HA GLN 5 -9.023 -12.673 -9.721 42 HB2 GLN 5 1HB GLN 5 -10.355 -13.110 -7.589 43 HB3 GLN 5 2HB GLN 5 -8.774 -13.873 -7.704 44 HG2 GLN 5 1HG GLN 5 -7.827 -12.138 -6.286 45 HG3 GLN 5 2HG GLN 5 -9.398 -11.341 -6.203 46 HE21 GLN 5 1HE2 GLN 5 -10.087 -14.534 -6.244 47 HE22 GLN 5 2HE2 GLN 5 -10.139 -14.846 -4.544 48 H PHE 6 H PHE 6 -11.429 -12.208 -9.485 49 HA PHE 6 HA PHE 6 -13.167 -10.762 -9.809 50 HB2 PHE 6 1HB PHE 6 -12.543 -10.127 -7.413 51 HB3 PHE 6 2HB PHE 6 -11.642 -8.781 -8.097 52 HD1 PHE 6 HD1 PHE 6 -14.977 -10.156 -9.017 53 HD2 PHE 6 HD2 PHE 6 -12.756 -6.878 -7.458 54 HE1 PHE 6 HE1 PHE 6 -17.018 -8.788 -9.000 55 HE2 PHE 6 HE2 PHE 6 -14.797 -5.503 -7.441 56 HZ PHE 6 HZ PHE 6 -16.930 -6.459 -8.209 57 H ASP 7 H ASP 7 -12.048 -7.694 -9.610 58 HA ASP 7 HA ASP 7 -10.871 -7.741 -12.296 59 HB2 ASP 7 1HB ASP 7 -11.873 -5.626 -12.850 60 HB3 ASP 7 2HB ASP 7 -13.149 -6.722 -12.350 61 H LEU 8 H LEU 8 -9.611 -7.994 -9.768 62 HA LEU 8 HA LEU 8 -8.512 -5.532 -8.921 63 HB2 LEU 8 1HB LEU 8 -7.670 -8.380 -8.483 64 HB3 LEU 8 2HB LEU 8 -6.762 -7.022 -7.841 65 HG LEU 8 HG LEU 8 -9.675 -7.465 -7.258 66 HD11 LEU 8 1HD1 LEU 8 -7.736 -9.161 -6.451 67 HD12 LEU 8 2HD1 LEU 8 -7.720 -7.978 -5.145 68 HD13 LEU 8 3HD1 LEU 8 -9.212 -8.828 -5.548 69 HD21 LEU 8 3HD2 LEU 8 -9.469 -5.794 -5.653 70 HD22 LEU 8 1HD2 LEU 8 -7.710 -5.886 -5.651 71 HD23 LEU 8 2HD2 LEU 8 -8.551 -5.173 -7.024 72 H ILE 9 H ILE 9 -6.605 -4.641 -9.241 73 HA ILE 9 HA ILE 9 -5.056 -5.365 -11.602 74 HB ILE 9 HB ILE 9 -5.485 -2.754 -12.033 75 HG12 ILE 9 1HG1 ILE 9 -7.777 -2.115 -11.615 76 HG13 ILE 9 2HG1 ILE 9 -8.134 -3.698 -10.937 77 HG21 ILE 9 1HG2 ILE 9 -6.955 -5.150 -12.986 78 HG22 ILE 9 2HG2 ILE 9 -7.482 -3.548 -13.506 79 HG23 ILE 9 3HG2 ILE 9 -5.838 -4.088 -13.848 80 HD11 ILE 9 3HD1 ILE 9 -5.981 -2.576 -9.455 81 HD12 ILE 9 1HD1 ILE 9 -7.260 -1.364 -9.604 82 HD13 ILE 9 2HD1 ILE 9 -7.622 -2.948 -8.919 83 H MET 10 H MET 10 -4.094 -5.402 -9.021 84 HA MET 10 HA MET 10 -3.130 -2.881 -8.213 85 HB2 MET 10 1HB MET 10 -1.308 -4.868 -7.288 86 HB3 MET 10 2HB MET 10 -2.458 -3.901 -6.389 87 HG2 MET 10 1HG MET 10 -4.184 -5.643 -7.182 88 HG3 MET 10 2HG MET 10 -2.762 -6.633 -7.513 89 HE1 MET 10 3HE MET 10 -3.883 -4.804 -3.489 90 HE2 MET 10 1HE MET 10 -2.473 -4.126 -4.312 91 HE3 MET 10 2HE MET 10 -4.057 -4.103 -5.105 92 H CYS 11 H CYS 11 -1.423 -1.791 -8.544 93 HA CYS 11 HA CYS 11 -0.301 -1.652 -10.988 94 HB2 CYS 11 1HB CYS 11 -0.253 0.147 -9.362 95 HB3 CYS 11 2HB CYS 11 0.863 -0.752 -8.348 96 H LEU 12 H LEU 12 1.170 -3.140 -8.138 97 HA LEU 12 HA LEU 12 3.017 -4.440 -7.844 98 HB2 LEU 12 1HB LEU 12 1.578 -5.852 -10.072 99 HB3 LEU 12 2HB LEU 12 2.789 -6.581 -9.034 100 HG LEU 12 HG LEU 12 0.022 -5.670 -8.305 101 HD11 LEU 12 1HD1 LEU 12 -0.453 -7.848 -8.037 102 HD12 LEU 12 2HD1 LEU 12 0.885 -8.051 -9.167 103 HD13 LEU 12 3HD1 LEU 12 1.162 -8.235 -7.435 104 HD21 LEU 12 3HD2 LEU 12 0.601 -6.283 -5.966 105 HD22 LEU 12 1HD2 LEU 12 2.298 -6.332 -6.449 106 HD23 LEU 12 2HD2 LEU 12 1.398 -4.817 -6.541 107 H LYS 13 H LYS 13 3.891 -2.324 -9.459 108 HA LYS 13 HA LYS 13 5.637 -3.509 -11.462 109 HB2 LYS 13 1HB LYS 13 5.544 -0.735 -10.274 110 HB3 LYS 13 2HB LYS 13 6.690 -1.246 -11.500 111 HG2 LYS 13 1HG LYS 13 4.682 -1.806 -12.935 112 HG3 LYS 13 2HG LYS 13 3.733 -0.892 -11.757 113 HD2 LYS 13 1HD LYS 13 5.482 0.944 -12.072 114 HD3 LYS 13 2HD LYS 13 5.934 0.064 -13.534 115 HE2 LYS 13 1HE LYS 13 3.141 0.954 -12.913 116 HE3 LYS 13 2HE LYS 13 4.291 1.898 -13.836 117 HZ1 LYS 13 3HZ LYS 13 4.151 -0.731 -14.868 118 HZ2 LYS 13 1HZ LYS 13 3.829 0.741 -15.650 119 HZ3 LYS 13 2HZ LYS 13 2.597 -0.054 -14.796 120 H GLN 14 H GLN 14 7.948 -2.039 -10.828 121 HA GLN 14 HA GLN 14 9.014 -3.688 -8.683 122 HB2 GLN 14 1HB GLN 14 10.251 -3.191 -10.836 123 HB3 GLN 14 2HB GLN 14 10.426 -1.539 -10.263 124 HG2 GLN 14 1HG GLN 14 12.428 -2.693 -9.771 125 HG3 GLN 14 2HG GLN 14 11.571 -2.421 -8.256 126 HE21 GLN 14 1HE2 GLN 14 10.120 -4.838 -10.119 127 HE22 GLN 14 2HE2 GLN 14 10.803 -6.207 -9.307 128 HA PRO 15 HA PRO 15 7.904 -0.281 -6.000 129 HB2 PRO 15 1HB PRO 15 8.114 -1.572 -3.675 130 HB3 PRO 15 2HB PRO 15 6.773 -1.866 -4.787 131 HG2 PRO 15 1HG PRO 15 9.260 -3.479 -4.356 132 HG3 PRO 15 2HG PRO 15 7.588 -4.036 -4.555 133 HD2 PRO 15 1HD PRO 15 9.431 -4.030 -6.576 134 HD3 PRO 15 2HD PRO 15 7.683 -3.885 -6.841 135 H GLY 16 H GLY 16 9.003 1.204 -4.746 136 HA2 GLY 16 2HA GLY 16 11.902 0.754 -4.523 137 HA3 GLY 16 1HA GLY 16 11.105 2.323 -4.519 138 H VAL 17 H VAL 17 11.882 3.095 -2.619 139 HA VAL 17 HA VAL 17 11.515 1.504 -0.192 140 HB VAL 17 HB VAL 17 12.751 3.352 0.948 141 HG11 VAL 17 1HG1 VAL 17 13.768 1.471 -1.001 142 HG12 VAL 17 2HG1 VAL 17 14.842 2.855 -0.807 143 HG13 VAL 17 3HG1 VAL 17 14.391 1.885 0.595 144 HG21 VAL 17 3HG2 VAL 17 14.053 4.881 -0.608 145 HG22 VAL 17 1HG2 VAL 17 12.907 4.416 -1.863 146 HG23 VAL 17 2HG2 VAL 17 12.338 5.242 -0.413 147 H GLN 18 H GLN 18 10.067 3.976 -1.989 148 HA GLN 18 HA GLN 18 8.862 5.515 0.022 149 HB2 GLN 18 1HB GLN 18 7.890 4.981 -2.794 150 HB3 GLN 18 2HB GLN 18 7.320 6.273 -1.750 151 HG2 GLN 18 1HG GLN 18 8.809 7.442 -2.986 152 HG3 GLN 18 2HG GLN 18 9.889 6.886 -1.712 153 HE21 GLN 18 1HE2 GLN 18 9.828 7.412 -4.836 154 HE22 GLN 18 2HE2 GLN 18 10.865 6.149 -5.411 155 H THR 19 H THR 19 6.887 5.404 1.036 156 HA THR 19 HA THR 19 5.518 2.805 0.840 157 HB THR 19 HB THR 19 5.364 4.763 3.133 158 HG1 THR 19 HG1 THR 19 7.368 2.996 2.397 159 HG21 THR 19 1HG2 THR 19 4.592 1.896 2.709 160 HG22 THR 19 2HG2 THR 19 3.612 3.229 3.321 161 HG23 THR 19 3HG2 THR 19 4.883 2.534 4.326 162 H GLY 20 H GLY 20 3.500 2.775 0.056 163 HA2 GLY 20 2HA GLY 20 2.200 5.061 -0.947 164 HA3 GLY 20 1HA GLY 20 1.473 3.471 -0.761 165 H LEU 21 H LEU 21 0.628 6.364 -0.175 166 HA LEU 21 HA LEU 21 0.333 6.478 2.657 167 HB2 LEU 21 1HB LEU 21 -0.734 8.178 0.428 168 HB3 LEU 21 2HB LEU 21 -1.137 8.469 2.108 169 HG LEU 21 HG LEU 21 1.620 8.583 0.889 170 HD11 LEU 21 1HD1 LEU 21 1.447 10.846 0.919 171 HD12 LEU 21 2HD1 LEU 21 -0.256 10.453 0.679 172 HD13 LEU 21 3HD1 LEU 21 0.338 10.854 2.292 173 HD21 LEU 21 3HD2 LEU 21 2.337 9.354 3.111 174 HD22 LEU 21 1HD2 LEU 21 0.726 9.002 3.741 175 HD23 LEU 21 2HD2 LEU 21 1.746 7.693 3.143 176 H LEU 22 H LEU 22 -1.542 6.625 3.839 177 HA LEU 22 HA LEU 22 -3.860 5.143 2.785 178 HB2 LEU 22 1HB LEU 22 -2.099 4.420 4.840 179 HB3 LEU 22 2HB LEU 22 -3.556 4.967 5.649 180 HG LEU 22 HG LEU 22 -4.881 3.373 4.472 181 HD11 LEU 22 1HD1 LEU 22 -4.309 2.457 2.531 182 HD12 LEU 22 2HD1 LEU 22 -2.851 3.452 2.564 183 HD13 LEU 22 3HD1 LEU 22 -2.818 1.811 3.215 184 HD21 LEU 22 3HD2 LEU 22 -3.133 2.766 6.431 185 HD22 LEU 22 1HD2 LEU 22 -4.326 1.636 5.786 186 HD23 LEU 22 2HD2 LEU 22 -2.665 1.594 5.201 187 H CYS 23 H CYS 23 -5.755 6.129 2.962 188 HA CYS 23 HA CYS 23 -6.008 8.571 4.526 189 HB2 CYS 23 1HB CYS 23 -7.991 8.989 3.408 190 HB3 CYS 23 2HB CYS 23 -7.117 8.070 2.192 191 H GLU 24 H GLU 24 -7.465 8.753 6.279 192 HA GLU 24 HA GLU 24 -7.300 6.775 8.171 193 HB2 GLU 24 1HB GLU 24 -9.319 8.996 7.916 194 HB3 GLU 24 2HB GLU 24 -9.140 8.003 9.356 195 HG2 GLU 24 1HG GLU 24 -6.855 8.765 9.627 196 HG3 GLU 24 2HG GLU 24 -6.982 9.718 8.148 197 H LYS 25 H LYS 25 -9.871 7.226 5.806 198 HA LYS 25 HA LYS 25 -11.772 5.523 6.963 199 HB2 LYS 25 1HB LYS 25 -11.317 6.138 4.043 200 HB3 LYS 25 2HB LYS 25 -12.761 5.386 4.702 201 HG2 LYS 25 1HG LYS 25 -11.768 8.149 5.367 202 HG3 LYS 25 2HG LYS 25 -13.084 7.765 4.258 203 HD2 LYS 25 1HD LYS 25 -14.390 6.831 6.056 204 HD3 LYS 25 2HD LYS 25 -13.045 7.026 7.182 205 HE2 LYS 25 1HE LYS 25 -14.725 8.783 7.464 206 HE3 LYS 25 2HE LYS 25 -13.169 9.437 6.954 207 HZ1 LYS 25 3HZ LYS 25 -15.207 8.801 4.927 208 HZ2 LYS 25 1HZ LYS 25 -13.962 9.953 4.880 209 HZ3 LYS 25 2HZ LYS 25 -15.340 10.236 5.824 210 H CYS 26 H CYS 26 -9.044 4.791 4.843 211 HA CYS 26 HA CYS 26 -9.820 1.972 4.769 212 HB2 CYS 26 1HB CYS 26 -7.453 3.307 3.444 213 HB3 CYS 26 2HB CYS 26 -8.026 1.667 3.165 214 H ASP 27 H ASP 27 -7.813 4.128 6.475 215 HA ASP 27 HA ASP 27 -5.551 2.678 6.949 216 HB2 ASP 27 1HB ASP 27 -5.883 5.018 7.674 217 HB3 ASP 27 2HB ASP 27 -6.925 4.451 8.976 218 H GLY 28 H GLY 28 -5.374 0.710 7.522 219 HA2 GLY 28 2HA GLY 28 -5.583 -0.710 9.688 220 HA3 GLY 28 1HA GLY 28 -7.302 -0.471 9.385 221 H LYS 29 H LYS 29 -6.943 -0.477 6.497 222 HA LYS 29 HA LYS 29 -7.117 -3.318 6.057 223 HB2 LYS 29 1HB LYS 29 -7.213 -1.012 4.101 224 HB3 LYS 29 2HB LYS 29 -7.604 -2.677 3.725 225 HG2 LYS 29 1HG LYS 29 -9.511 -2.620 5.152 226 HG3 LYS 29 2HG LYS 29 -9.093 -0.993 5.698 227 HD2 LYS 29 1HD LYS 29 -9.471 -0.083 3.523 228 HD3 LYS 29 2HD LYS 29 -9.626 -1.695 2.818 229 HE2 LYS 29 1HE LYS 29 -11.446 -0.709 4.968 230 HE3 LYS 29 2HE LYS 29 -11.774 -0.393 3.265 231 HZ1 LYS 29 3HZ LYS 29 -12.856 -2.341 3.410 232 HZ2 LYS 29 1HZ LYS 29 -12.009 -2.849 4.786 233 HZ3 LYS 29 2HZ LYS 29 -11.313 -3.030 3.246 234 H CYS 30 H CYS 30 -5.602 -4.605 5.243 235 HA CYS 30 HA CYS 30 -3.012 -3.547 4.425 236 HB2 CYS 30 1HB CYS 30 -2.780 -5.555 5.613 237 HB3 CYS 30 2HB CYS 30 -4.177 -6.286 4.838 238 HA PRO 31 HA PRO 31 -4.742 -2.664 0.446 239 HB2 PRO 31 1HB PRO 31 -1.881 -2.880 -0.376 240 HB3 PRO 31 2HB PRO 31 -3.055 -1.602 -0.705 241 HG2 PRO 31 1HG PRO 31 -1.183 -1.268 1.152 242 HG3 PRO 31 2HG PRO 31 -2.832 -0.668 1.404 243 HD2 PRO 31 1HD PRO 31 -1.474 -3.035 2.594 244 HD3 PRO 31 2HD PRO 31 -2.704 -1.965 3.295 245 H ILE 32 H ILE 32 -2.313 -5.224 0.698 246 HA ILE 32 HA ILE 32 -2.673 -6.359 -1.817 247 HB ILE 32 HB ILE 32 -1.867 -7.741 0.748 248 HG12 ILE 32 1HG1 ILE 32 -0.526 -5.698 -0.265 249 HG13 ILE 32 2HG1 ILE 32 0.316 -7.111 0.358 250 HG21 ILE 32 1HG2 ILE 32 -0.621 -9.030 -1.340 251 HG22 ILE 32 2HG2 ILE 32 -2.035 -9.606 -0.457 252 HG23 ILE 32 3HG2 ILE 32 -2.240 -8.714 -1.963 253 HD11 ILE 32 3HD1 ILE 32 -0.392 -7.113 -2.515 254 HD12 ILE 32 1HD1 ILE 32 0.888 -6.024 -1.984 255 HD13 ILE 32 2HD1 ILE 32 1.031 -7.760 -1.688 256 H CYS 33 H CYS 33 -4.132 -7.384 1.277 257 HA CYS 33 HA CYS 33 -5.886 -9.163 -0.235 258 HB2 CYS 33 1HB CYS 33 -6.174 -10.380 1.880 259 HB3 CYS 33 2HB CYS 33 -4.479 -10.235 1.433 260 H ASP 34 H ASP 34 -5.977 -6.342 1.712 261 HA ASP 34 HA ASP 34 -7.631 -4.984 2.446 262 HB2 ASP 34 1HB ASP 34 -8.695 -5.049 0.297 263 HB3 ASP 34 2HB ASP 34 -9.350 -6.654 0.603 264 H SER 35 H SER 35 -7.243 -5.776 4.507 265 HA SER 35 HA SER 35 -9.478 -6.883 5.853 266 HB2 SER 35 1HB SER 35 -8.475 -8.948 4.809 267 HB3 SER 35 2HB SER 35 -7.007 -8.641 5.737 268 HG SER 35 HG SER 35 -9.343 -8.651 7.220 269 H TYR 36 H TYR 36 -9.374 -6.391 8.006 270 HA TYR 36 HA TYR 36 -7.216 -4.670 8.856 271 HB2 TYR 36 1HB TYR 36 -9.849 -5.495 10.025 272 HB3 TYR 36 2HB TYR 36 -8.643 -4.732 11.053 273 HD1 TYR 36 HD2 TYR 36 -9.947 -4.116 7.590 274 HD2 TYR 36 HD1 TYR 36 -9.079 -2.516 11.436 275 HE1 TYR 36 HE2 TYR 36 -10.708 -1.902 6.839 276 HE2 TYR 36 HE1 TYR 36 -9.844 -0.303 10.695 277 HH TYR 36 HH TYR 36 -10.368 0.949 8.882 278 H VAL 37 H VAL 37 -6.151 -7.105 8.408 279 HA VAL 37 HA VAL 37 -5.843 -8.410 11.006 280 HB VAL 37 HB VAL 37 -6.213 -9.946 9.198 281 HG11 VAL 37 1HG1 VAL 37 -5.381 -9.788 7.136 282 HG12 VAL 37 2HG1 VAL 37 -4.940 -8.146 7.605 283 HG13 VAL 37 3HG1 VAL 37 -3.750 -9.443 7.713 284 HG21 VAL 37 3HG2 VAL 37 -4.817 -11.018 10.675 285 HG22 VAL 37 1HG2 VAL 37 -3.890 -11.141 9.180 286 HG23 VAL 37 2HG2 VAL 37 -3.473 -9.914 10.377 287 H ARG 38 H ARG 38 -3.857 -8.620 12.003 288 HA ARG 38 HA ARG 38 -2.436 -6.460 12.500 289 HB2 ARG 38 1HB ARG 38 -0.989 -9.096 12.350 290 HB3 ARG 38 2HB ARG 38 -0.691 -7.763 13.454 291 HG2 ARG 38 1HG ARG 38 -2.880 -8.176 14.497 292 HG3 ARG 38 2HG ARG 38 -3.095 -9.562 13.425 293 HD2 ARG 38 1HD ARG 38 -0.994 -10.519 14.345 294 HD3 ARG 38 2HD ARG 38 -0.946 -9.193 15.505 295 HE ARG 38 HE ARG 38 -2.498 -11.553 15.686 296 HH11 ARG 38 2HH1 ARG 38 -2.673 -8.110 16.371 297 HH12 ARG 38 1HH1 ARG 38 -3.822 -8.296 17.657 298 HH21 ARG 38 2HH2 ARG 38 -3.987 -11.800 17.372 299 HH22 ARG 38 1HH2 ARG 38 -4.602 -10.399 18.206 300 HA PRO 39 HA PRO 39 0.095 -5.533 8.893 301 HB2 PRO 39 1HB PRO 39 1.119 -3.256 9.874 302 HB3 PRO 39 2HB PRO 39 -0.547 -3.341 9.289 303 HG2 PRO 39 1HG PRO 39 0.478 -3.434 12.100 304 HG3 PRO 39 2HG PRO 39 -0.916 -2.554 11.445 305 HD2 PRO 39 1HD PRO 39 -1.114 -4.941 12.762 306 HD3 PRO 39 2HD PRO 39 -2.276 -4.391 11.538 307 H LYS 40 H LYS 40 2.357 -5.677 8.497 308 HA LYS 40 HA LYS 40 3.960 -6.371 10.869 309 HB2 LYS 40 1HB LYS 40 3.224 -8.380 9.612 310 HB3 LYS 40 2HB LYS 40 4.067 -7.771 8.194 311 HG2 LYS 40 1HG LYS 40 6.177 -8.044 9.206 312 HG3 LYS 40 2HG LYS 40 5.464 -8.281 10.803 313 HD2 LYS 40 1HD LYS 40 4.482 -10.387 10.064 314 HD3 LYS 40 2HD LYS 40 5.150 -10.144 8.450 315 HE2 LYS 40 1HE LYS 40 6.493 -11.700 9.807 316 HE3 LYS 40 2HE LYS 40 7.400 -10.272 9.316 317 HZ1 LYS 40 3HZ LYS 40 7.482 -9.475 11.436 318 HZ2 LYS 40 1HZ LYS 40 7.483 -11.138 11.764 319 HZ3 LYS 40 2HZ LYS 40 6.050 -10.246 11.922 320 H ARG 41 H ARG 41 3.998 -5.083 7.581 321 HA ARG 41 HA ARG 41 6.309 -3.478 8.247 322 HB2 ARG 41 1HB ARG 41 7.643 -4.247 6.315 323 HB3 ARG 41 2HB ARG 41 7.404 -5.520 7.506 324 HG2 ARG 41 1HG ARG 41 5.636 -6.483 6.121 325 HG3 ARG 41 2HG ARG 41 5.884 -5.210 4.927 326 HD2 ARG 41 1HD ARG 41 7.915 -7.266 5.782 327 HD3 ARG 41 2HD ARG 41 7.015 -7.270 4.268 328 HE ARG 41 HE ARG 41 8.395 -4.829 4.503 329 HH11 ARG 41 2HH1 ARG 41 8.936 -8.225 3.845 330 HH12 ARG 41 1HH1 ARG 41 10.490 -7.969 3.107 331 HH21 ARG 41 2HH2 ARG 41 10.388 -4.471 3.452 332 HH22 ARG 41 1HH2 ARG 41 11.307 -5.824 2.859 333 H LYS 42 H LYS 42 6.534 -1.664 6.928 334 HA LYS 42 HA LYS 42 4.188 -0.684 5.770 335 HB2 LYS 42 1HB LYS 42 7.050 0.226 5.548 336 HB3 LYS 42 2HB LYS 42 5.727 1.093 4.782 337 HG2 LYS 42 1HG LYS 42 4.672 1.265 7.057 338 HG3 LYS 42 2HG LYS 42 6.186 0.641 7.712 339 HD2 LYS 42 1HD LYS 42 7.408 2.508 6.802 340 HD3 LYS 42 2HD LYS 42 5.958 3.106 5.992 341 HE2 LYS 42 1HE LYS 42 4.902 3.332 8.256 342 HE3 LYS 42 2HE LYS 42 6.475 2.946 8.955 343 HZ1 LYS 42 3HZ LYS 42 6.004 5.212 7.096 344 HZ2 LYS 42 1HZ LYS 42 7.414 4.892 7.987 345 HZ3 LYS 42 2HZ LYS 42 5.995 5.364 8.785 346 H VAL 43 H VAL 43 3.489 -0.391 3.701 347 HA VAL 43 HA VAL 43 4.280 -2.327 1.769 348 HB VAL 43 HB VAL 43 2.697 -1.268 0.261 349 HG11 VAL 43 1HG1 VAL 43 1.280 -1.168 2.873 350 HG12 VAL 43 2HG1 VAL 43 0.810 -1.938 1.359 351 HG13 VAL 43 3HG1 VAL 43 2.046 -2.677 2.378 352 HG21 VAL 43 3HG2 VAL 43 3.245 1.046 1.813 353 HG22 VAL 43 1HG2 VAL 43 2.288 0.909 0.339 354 HG23 VAL 43 2HG2 VAL 43 1.516 0.709 1.912 355 H ARG 44 H ARG 44 5.097 -1.885 -0.374 356 HA ARG 44 HA ARG 44 6.781 0.527 -0.441 357 HB2 ARG 44 1HB ARG 44 7.394 -2.196 -1.607 358 HB3 ARG 44 2HB ARG 44 8.346 -0.749 -1.902 359 HG2 ARG 44 1HG ARG 44 9.550 -1.760 -0.236 360 HG3 ARG 44 2HG ARG 44 8.525 -0.666 0.693 361 HD2 ARG 44 1HD ARG 44 8.552 -2.833 1.755 362 HD3 ARG 44 2HD ARG 44 6.951 -2.522 1.090 363 HE ARG 44 HE ARG 44 7.197 -4.379 -0.192 364 HH11 ARG 44 2HH1 ARG 44 10.411 -3.352 0.766 365 HH12 ARG 44 1HH1 ARG 44 11.214 -4.523 -0.231 366 HH21 ARG 44 2HH2 ARG 44 8.257 -5.956 -1.446 367 HH22 ARG 44 1HH2 ARG 44 9.999 -5.996 -1.492 368 H VAL 45 H VAL 45 6.030 1.902 -1.846 369 HA VAL 45 HA VAL 45 4.382 0.957 -4.040 370 HB VAL 45 HB VAL 45 3.494 2.754 -2.655 371 HG11 VAL 45 1HG1 VAL 45 5.611 4.592 -3.688 372 HG12 VAL 45 2HG1 VAL 45 4.458 4.862 -2.380 373 HG13 VAL 45 3HG1 VAL 45 5.797 3.734 -2.160 374 HG21 VAL 45 3HG2 VAL 45 3.461 2.638 -5.332 375 HG22 VAL 45 1HG2 VAL 45 2.466 3.700 -4.330 376 HG23 VAL 45 2HG2 VAL 45 3.968 4.300 -5.037 377 H CYS 46 H CYS 46 4.941 1.221 -6.151 378 HA CYS 46 HA CYS 46 7.693 1.305 -6.753 379 HB2 CYS 46 1HB CYS 46 7.108 0.903 -8.980 380 HB3 CYS 46 2HB CYS 46 5.768 0.196 -8.090 381 H GLU 47 H GLU 47 8.923 2.875 -7.830 382 HA GLU 47 HA GLU 47 8.543 5.497 -6.977 383 HB2 GLU 47 1HB GLU 47 10.722 4.549 -7.729 384 HB3 GLU 47 2HB GLU 47 10.154 4.650 -9.392 385 HG2 GLU 47 1HG GLU 47 9.915 7.081 -9.140 386 HG3 GLU 47 2HG GLU 47 10.544 6.960 -7.500 387 H ASN 48 H ASN 48 7.430 3.889 -9.850 388 HA ASN 48 HA ASN 48 6.682 6.048 -11.448 389 HB2 ASN 48 1HB ASN 48 5.819 3.218 -11.174 390 HB3 ASN 48 2HB ASN 48 4.731 4.302 -12.030 391 HD21 ASN 48 1HD2 ASN 48 5.000 4.336 -14.125 392 HD22 ASN 48 2HD2 ASN 48 6.497 4.072 -14.966 393 H CYS 49 H CYS 49 4.984 4.531 -8.747 394 HA CYS 49 HA CYS 49 2.728 6.327 -9.031 395 HB2 CYS 49 1HB CYS 49 3.398 4.273 -6.900 396 HB3 CYS 49 2HB CYS 49 1.980 5.316 -6.852 397 H SER 50 H SER 50 5.764 6.229 -7.431 398 HA SER 50 HA SER 50 5.076 7.944 -5.262 399 HB2 SER 50 1HB SER 50 7.808 7.155 -6.277 400 HB3 SER 50 2HB SER 50 7.433 7.852 -4.700 401 HG SER 50 HG SER 50 6.596 5.332 -5.708 402 H PHE 51 H PHE 51 6.775 8.428 -8.357 403 HA PHE 51 HA PHE 51 7.386 11.141 -7.675 404 HB2 PHE 51 1HB PHE 51 8.302 11.301 -9.960 405 HB3 PHE 51 2HB PHE 51 8.964 9.978 -9.036 406 HD1 PHE 51 HD1 PHE 51 5.816 10.157 -11.059 407 HD2 PHE 51 HD2 PHE 51 9.684 8.454 -10.580 408 HE1 PHE 51 HE1 PHE 51 5.393 8.666 -12.968 409 HE2 PHE 51 HE2 PHE 51 9.265 6.953 -12.482 410 HZ PHE 51 HZ PHE 51 7.117 7.061 -13.682 411 H GLY 52 H GLY 52 4.683 10.791 -7.451 412 HA2 GLY 52 2HA GLY 52 3.770 12.970 -9.071 413 HA3 GLY 52 1HA GLY 52 3.006 11.445 -9.503 414 H LYS 53 H LYS 53 1.618 13.669 -8.485 415 HA LYS 53 HA LYS 53 1.187 13.603 -5.717 416 HB2 LYS 53 1HB LYS 53 -0.940 14.781 -6.221 417 HB3 LYS 53 2HB LYS 53 0.461 15.486 -7.015 418 HG2 LYS 53 1HG LYS 53 -0.175 14.251 -9.083 419 HG3 LYS 53 2HG LYS 53 -1.655 13.753 -8.264 420 HD2 LYS 53 1HD LYS 53 -2.367 16.031 -8.037 421 HD3 LYS 53 2HD LYS 53 -0.821 16.620 -8.653 422 HE2 LYS 53 1HE LYS 53 -1.293 15.501 -10.804 423 HE3 LYS 53 2HE LYS 53 -2.869 15.016 -10.177 424 HZ1 LYS 53 3HZ LYS 53 -3.607 16.926 -10.994 425 HZ2 LYS 53 1HZ LYS 53 -2.043 17.522 -11.270 426 HZ3 LYS 53 2HZ LYS 53 -2.770 17.712 -9.750 427 H GLN 54 H GLN 54 0.392 11.294 -8.011 428 HA GLN 54 HA GLN 54 -2.033 10.238 -7.093 429 HB2 GLN 54 1HB GLN 54 0.336 8.785 -8.274 430 HB3 GLN 54 2HB GLN 54 -1.281 8.118 -8.100 431 HG2 GLN 54 1HG GLN 54 -0.387 10.358 -9.883 432 HG3 GLN 54 2HG GLN 54 -1.049 8.791 -10.345 433 HE21 GLN 54 1HE2 GLN 54 -1.780 11.858 -10.441 434 HE22 GLN 54 2HE2 GLN 54 -3.491 11.823 -10.134 435 H ALA 55 H ALA 55 1.285 9.724 -6.026 436 HA ALA 55 HA ALA 55 0.805 7.612 -4.234 437 HB1 ALA 55 3HB ALA 55 2.930 9.361 -3.365 438 HB2 ALA 55 1HB ALA 55 3.006 7.705 -3.970 439 HB3 ALA 55 2HB ALA 55 2.999 9.061 -5.100 440 H LYS 56 H LYS 56 0.513 11.086 -3.898 441 HA LYS 56 HA LYS 56 0.379 11.200 -1.084 442 HB2 LYS 56 1HB LYS 56 -0.900 13.049 -3.103 443 HB3 LYS 56 2HB LYS 56 -0.651 13.401 -1.401 444 HG2 LYS 56 1HG LYS 56 1.562 12.881 -3.380 445 HG3 LYS 56 2HG LYS 56 0.991 14.481 -2.914 446 HD2 LYS 56 1HD LYS 56 2.832 14.196 -1.543 447 HD3 LYS 56 2HD LYS 56 1.512 13.680 -0.496 448 HE2 LYS 56 1HE LYS 56 2.005 11.366 -0.921 449 HE3 LYS 56 2HE LYS 56 3.199 11.800 -2.143 450 HZ1 LYS 56 3HZ LYS 56 4.179 13.096 -0.046 451 HZ2 LYS 56 1HZ LYS 56 4.594 11.495 -0.422 452 HZ3 LYS 56 2HZ LYS 56 3.421 11.813 0.760 453 H ASN 57 H ASN 57 -1.914 10.401 -3.547 454 HA ASN 57 HA ASN 57 -4.217 10.504 -1.810 455 HB2 ASN 57 1HB ASN 57 -3.879 9.200 -4.520 456 HB3 ASN 57 2HB ASN 57 -5.404 9.418 -3.669 457 HD21 ASN 57 1HD2 ASN 57 -3.468 10.613 -6.003 458 HD22 ASN 57 2HD2 ASN 57 -4.088 12.230 -6.097 459 H CYS 58 H CYS 58 -5.153 8.841 -0.783 460 HA CYS 58 HA CYS 58 -3.679 6.748 0.245 461 HB2 CYS 58 1HB CYS 58 -5.648 7.443 1.338 462 HB3 CYS 58 2HB CYS 58 -6.624 7.205 -0.104 463 H ILE 59 H ILE 59 -3.012 4.898 -0.504 464 HA ILE 59 HA ILE 59 -3.337 4.242 -3.200 465 HB ILE 59 HB ILE 59 -2.050 2.176 -2.644 466 HG12 ILE 59 1HG1 ILE 59 -2.269 3.298 0.160 467 HG13 ILE 59 2HG1 ILE 59 -2.867 1.740 -0.402 468 HG21 ILE 59 1HG2 ILE 59 -1.283 4.894 -2.526 469 HG22 ILE 59 2HG2 ILE 59 -0.348 4.024 -1.309 470 HG23 ILE 59 3HG2 ILE 59 -0.307 3.501 -2.993 471 HD11 ILE 59 3HD1 ILE 59 -0.066 1.936 -0.937 472 HD12 ILE 59 1HD1 ILE 59 -0.380 2.325 0.758 473 HD13 ILE 59 2HD1 ILE 59 -0.934 0.788 0.082 474 H ILE 60 H ILE 60 -5.057 3.136 -0.391 475 HA ILE 60 HA ILE 60 -6.029 0.743 -1.577 476 HB ILE 60 HB ILE 60 -6.989 2.219 0.874 477 HG12 ILE 60 1HG1 ILE 60 -5.203 -0.196 0.491 478 HG13 ILE 60 2HG1 ILE 60 -4.698 1.394 1.052 479 HG21 ILE 60 1HG2 ILE 60 -7.570 -0.663 0.364 480 HG22 ILE 60 2HG2 ILE 60 -8.440 0.503 1.360 481 HG23 ILE 60 3HG2 ILE 60 -8.586 0.561 -0.397 482 HD11 ILE 60 3HD1 ILE 60 -6.826 0.082 2.608 483 HD12 ILE 60 1HD1 ILE 60 -5.223 -0.653 2.680 484 HD13 ILE 60 2HD1 ILE 60 -5.441 1.036 3.142 485 H CYS 61 H CYS 61 -7.506 3.985 -1.169 486 HA CYS 61 HA CYS 61 -9.759 2.957 -2.743 487 HB2 CYS 61 1HB CYS 61 -11.040 4.939 -2.005 488 HB3 CYS 61 2HB CYS 61 -10.547 3.890 -0.679 489 H ASN 62 H ASN 62 -6.985 4.705 -3.121 490 HA ASN 62 HA ASN 62 -6.207 6.261 -4.588 491 HB2 ASN 62 1HB ASN 62 -6.686 5.723 -6.966 492 HB3 ASN 62 2HB ASN 62 -6.180 4.338 -6.015 493 HD21 ASN 62 1HD2 ASN 62 -8.666 5.737 -7.916 494 HD22 ASN 62 2HD2 ASN 62 -9.739 4.387 -7.898 495 H LEU 63 H LEU 63 -8.166 7.483 -3.212 496 HA LEU 63 HA LEU 63 -9.232 9.330 -5.189 497 HB2 LEU 63 1HB LEU 63 -10.787 7.242 -4.303 498 HB3 LEU 63 2HB LEU 63 -11.240 8.529 -3.206 499 HG LEU 63 HG LEU 63 -12.812 8.622 -4.938 500 HD11 LEU 63 1HD1 LEU 63 -12.009 10.692 -6.325 501 HD12 LEU 63 2HD1 LEU 63 -12.338 10.832 -4.598 502 HD13 LEU 63 3HD1 LEU 63 -10.675 10.682 -5.169 503 HD21 LEU 63 3HD2 LEU 63 -12.453 8.180 -7.152 504 HD22 LEU 63 1HD2 LEU 63 -10.785 8.760 -7.113 505 HD23 LEU 63 2HD2 LEU 63 -11.193 7.191 -6.412 506 H ASN 64 H ASN 64 -9.686 8.489 -1.765 507 HA ASN 64 HA ASN 64 -9.547 11.236 -0.931 508 HB2 ASN 64 1HB ASN 64 -9.545 8.672 0.681 509 HB3 ASN 64 2HB ASN 64 -9.670 10.290 1.365 510 HD21 ASN 64 1HD2 ASN 64 -11.412 7.665 0.467 511 HD22 ASN 64 2HD2 ASN 64 -12.950 8.414 0.182 512 H VAL 65 H VAL 65 -7.842 12.272 0.097 513 HA VAL 65 HA VAL 65 -5.262 11.412 -0.648 514 HB VAL 65 HB VAL 65 -5.981 13.802 -0.370 515 HG11 VAL 65 1HG1 VAL 65 -6.266 12.871 2.334 516 HG12 VAL 65 2HG1 VAL 65 -5.227 14.294 2.245 517 HG13 VAL 65 3HG1 VAL 65 -6.862 14.351 1.582 518 HG21 VAL 65 3HG2 VAL 65 -3.477 13.199 1.179 519 HG22 VAL 65 1HG2 VAL 65 -3.593 12.935 -0.562 520 HG23 VAL 65 2HG2 VAL 65 -3.806 14.556 0.100 521 H GLY 66 H GLY 66 -3.602 10.507 0.500 522 HA2 GLY 66 2HA GLY 66 -4.450 8.996 2.825 523 HA3 GLY 66 1HA GLY 66 -2.946 8.804 1.946 524 H VAL 67 H VAL 67 -3.567 9.055 4.840 525 HA VAL 67 HA VAL 67 -1.858 11.378 5.414 526 HB VAL 67 HB VAL 67 -2.835 11.300 7.732 527 HG11 VAL 67 1HG1 VAL 67 -5.235 11.970 6.417 528 HG12 VAL 67 2HG1 VAL 67 -3.943 13.052 6.937 529 HG13 VAL 67 3HG1 VAL 67 -3.919 12.367 5.312 530 HG21 VAL 67 3HG2 VAL 67 -4.253 9.052 6.563 531 HG22 VAL 67 1HG2 VAL 67 -4.057 9.511 8.255 532 HG23 VAL 67 2HG2 VAL 67 -5.343 10.234 7.289 533 H ASN 68 H ASN 68 -2.524 7.983 6.195 534 HA ASN 68 HA ASN 68 0.030 7.918 7.669 535 HB2 ASN 68 1HB ASN 68 -2.270 5.957 7.694 536 HB3 ASN 68 2HB ASN 68 -0.752 5.734 8.560 537 HD21 ASN 68 1HD2 ASN 68 -3.743 6.308 9.195 538 HD22 ASN 68 2HD2 ASN 68 -3.646 7.519 10.440 539 H ASP 69 H ASP 69 0.812 5.416 7.499 540 HA ASP 69 HA ASP 69 1.275 5.007 4.606 541 HB2 ASP 69 1HB ASP 69 2.962 4.218 6.999 542 HB3 ASP 69 2HB ASP 69 3.292 3.701 5.352 543 H ALA 70 H ALA 70 0.943 2.997 3.728 544 HA ALA 70 HA ALA 70 -0.812 1.245 5.204 545 HB1 ALA 70 3HB ALA 70 -1.555 0.978 3.126 546 HB2 ALA 70 1HB ALA 70 -0.070 1.630 2.431 547 HB3 ALA 70 2HB ALA 70 -0.158 -0.075 2.883 548 H PHE 71 H PHE 71 -0.426 -0.950 5.629 549 HA PHE 71 HA PHE 71 2.398 -1.755 5.589 550 HB2 PHE 71 1HB PHE 71 0.417 -2.072 7.847 551 HB3 PHE 71 2HB PHE 71 1.891 -3.019 7.740 552 HD1 PHE 71 HD1 PHE 71 0.864 0.581 7.595 553 HD2 PHE 71 HD2 PHE 71 3.656 -2.312 8.984 554 HE1 PHE 71 HE1 PHE 71 2.088 2.341 8.796 555 HE2 PHE 71 HE2 PHE 71 4.880 -0.557 10.190 556 HZ PHE 71 HZ PHE 71 4.097 1.775 10.098 557 H TYR 72 H TYR 72 2.779 -3.770 4.905 558 HA TYR 72 HA TYR 72 0.673 -5.435 3.855 559 HB2 TYR 72 1HB TYR 72 3.578 -6.101 4.421 560 HB3 TYR 72 2HB TYR 72 2.454 -7.125 3.539 561 HD1 TYR 72 HD2 TYR 72 1.255 -5.747 1.504 562 HD2 TYR 72 HD1 TYR 72 5.098 -4.969 3.145 563 HE1 TYR 72 HE2 TYR 72 1.937 -4.679 -0.607 564 HE2 TYR 72 HE1 TYR 72 5.793 -3.911 1.046 565 HH TYR 72 HH TYR 72 3.990 -4.133 -1.833 566 H CYS 73 H CYS 73 -0.491 -6.869 5.001 567 HA CYS 73 HA CYS 73 -0.182 -7.007 7.807 568 HB2 CYS 73 1HB CYS 73 -2.136 -8.318 7.845 569 HB3 CYS 73 2HB CYS 73 -2.350 -7.232 6.477 570 H TRP 74 H TRP 74 -0.010 -8.999 9.055 571 HA TRP 74 HA TRP 74 2.361 -10.358 8.699 572 HB2 TRP 74 1HB TRP 74 1.156 -10.264 10.832 573 HB3 TRP 74 2HB TRP 74 -0.126 -11.269 10.167 574 HD1 TRP 74 HD1 TRP 74 3.733 -11.783 10.246 575 HE1 TRP 74 HE1 TRP 74 4.197 -14.142 11.181 576 HE3 TRP 74 HE3 TRP 74 -1.082 -13.228 11.148 577 HZ2 TRP 74 HZ2 TRP 74 2.690 -16.323 12.174 578 HZ3 TRP 74 HZ3 TRP 74 -1.487 -15.462 12.094 579 HH2 TRP 74 HH2 TRP 74 0.359 -16.979 12.594 580 H GLU 75 H GLU 75 -0.895 -11.331 7.725 581 HA GLU 75 HA GLU 75 -0.349 -13.930 6.871 582 HB2 GLU 75 1HB GLU 75 -2.348 -11.985 5.703 583 HB3 GLU 75 2HB GLU 75 -2.391 -13.735 5.544 584 HG2 GLU 75 1HG GLU 75 -2.515 -12.361 8.205 585 HG3 GLU 75 2HG GLU 75 -3.950 -12.689 7.236 586 H CYS 76 H CYS 76 -0.550 -10.965 4.899 587 HA CYS 76 HA CYS 76 0.307 -12.161 2.506 588 HB2 CYS 76 1HB CYS 76 0.354 -9.281 3.405 589 HB3 CYS 76 2HB CYS 76 0.813 -9.792 1.784 590 H CYS 77 H CYS 77 2.113 -10.544 5.084 591 HA CYS 77 HA CYS 77 4.588 -10.476 3.724 592 HB2 CYS 77 1HB CYS 77 4.013 -9.153 5.774 593 HB3 CYS 77 2HB CYS 77 4.168 -10.632 6.713 594 HG CYS 77 HG CYS 77 6.813 -9.735 4.802 595 H ARG 78 H ARG 78 3.117 -12.886 5.875 596 HA ARG 78 HA ARG 78 5.342 -14.627 5.999 597 HB2 ARG 78 1HB ARG 78 3.416 -14.766 7.544 598 HB3 ARG 78 2HB ARG 78 2.400 -15.300 6.211 599 HG2 ARG 78 1HG ARG 78 3.862 -17.277 5.942 600 HG3 ARG 78 2HG ARG 78 4.767 -16.759 7.363 601 HD2 ARG 78 1HD ARG 78 3.184 -18.451 7.998 602 HD3 ARG 78 2HD ARG 78 2.692 -16.908 8.694 603 HE ARG 78 HE ARG 78 1.382 -18.340 6.487 604 HH11 ARG 78 2HH1 ARG 78 1.388 -15.716 8.811 605 HH12 ARG 78 1HH1 ARG 78 -0.268 -15.274 8.507 606 HH21 ARG 78 2HH2 ARG 78 -0.799 -17.764 6.107 607 HH22 ARG 78 1HH2 ARG 78 -1.491 -16.422 6.974 608 H LEU 79 H LEU 79 2.534 -14.475 3.848 609 HA LEU 79 HA LEU 79 3.200 -16.755 2.304 610 HB2 LEU 79 1HB LEU 79 1.583 -14.334 1.498 611 HB3 LEU 79 2HB LEU 79 1.595 -15.883 0.675 612 HG LEU 79 HG LEU 79 0.542 -15.341 3.451 613 HD11 LEU 79 1HD1 LEU 79 -1.294 -16.513 1.573 614 HD12 LEU 79 2HD1 LEU 79 -1.444 -15.032 2.522 615 HD13 LEU 79 3HD1 LEU 79 -0.642 -14.997 0.951 616 HD21 LEU 79 3HD2 LEU 79 1.098 -17.870 1.978 617 HD22 LEU 79 1HD2 LEU 79 1.269 -17.501 3.695 618 HD23 LEU 79 2HD2 LEU 79 -0.332 -17.780 3.007 619 H GLY 80 H GLY 80 3.985 -13.343 2.058 620 HA2 GLY 80 2HA GLY 80 6.178 -12.742 1.222 621 HA3 GLY 80 1HA GLY 80 6.024 -14.038 0.044 622 H LYS 81 H LYS 81 3.363 -11.898 0.750 623 HA LYS 81 HA LYS 81 3.414 -10.965 -1.996 624 HB2 LYS 81 1HB LYS 81 1.384 -10.848 0.209 625 HB3 LYS 81 2HB LYS 81 1.214 -9.856 -1.236 626 HG2 LYS 81 1HG LYS 81 1.234 -11.845 -2.630 627 HG3 LYS 81 2HG LYS 81 1.462 -12.857 -1.202 628 HD2 LYS 81 1HD LYS 81 -0.688 -12.448 -0.421 629 HD3 LYS 81 2HD LYS 81 -0.872 -10.995 -1.405 630 HE2 LYS 81 1HE LYS 81 -0.703 -13.805 -2.481 631 HE3 LYS 81 2HE LYS 81 -2.197 -12.900 -2.243 632 HZ1 LYS 81 3HZ LYS 81 -1.319 -12.845 -4.547 633 HZ2 LYS 81 1HZ LYS 81 0.022 -11.967 -3.989 634 HZ3 LYS 81 2HZ LYS 81 -1.537 -11.313 -3.860 635 H ASP 82 H ASP 82 4.753 -10.044 0.825 636 HA ASP 82 HA ASP 82 4.565 -7.183 0.584 637 HB2 ASP 82 1HB ASP 82 6.615 -7.200 2.045 638 HB3 ASP 82 2HB ASP 82 5.222 -8.016 2.734 639 H LYS 83 H LYS 83 6.410 -9.784 -0.742 640 HA LYS 83 HA LYS 83 8.158 -7.974 -2.231 641 HB2 LYS 83 1HB LYS 83 8.102 -10.983 -1.960 642 HB3 LYS 83 2HB LYS 83 9.239 -10.109 -2.975 643 HG2 LYS 83 1HG LYS 83 8.999 -9.611 -0.027 644 HG3 LYS 83 2HG LYS 83 10.069 -10.837 -0.706 645 HD2 LYS 83 1HD LYS 83 10.167 -7.992 -1.652 646 HD3 LYS 83 2HD LYS 83 11.027 -8.494 -0.197 647 HE2 LYS 83 1HE LYS 83 12.569 -8.606 -2.007 648 HE3 LYS 83 2HE LYS 83 12.150 -10.259 -1.569 649 HZ1 LYS 83 3HZ LYS 83 10.819 -10.493 -3.474 650 HZ2 LYS 83 1HZ LYS 83 12.220 -9.708 -4.018 651 HZ3 LYS 83 2HZ LYS 83 10.794 -8.824 -3.782 652 H ASP 84 H ASP 84 5.099 -8.876 -2.640 653 HA ASP 84 HA ASP 84 5.109 -10.023 -5.252 654 HB2 ASP 84 1HB ASP 84 3.144 -9.452 -3.312 655 HB3 ASP 84 2HB ASP 84 2.687 -8.535 -4.745 656 H GLY 85 H GLY 85 4.192 -6.737 -4.174 657 HA2 GLY 85 2HA GLY 85 5.885 -5.325 -5.750 658 HA3 GLY 85 1HA GLY 85 4.539 -5.666 -6.824 659 H CYS 86 H CYS 86 4.307 -3.413 -6.969 660 HA CYS 86 HA CYS 86 3.720 -1.675 -4.849 661 HB2 CYS 86 1HB CYS 86 4.493 -1.100 -7.164 662 HB3 CYS 86 2HB CYS 86 2.881 -1.483 -7.746 663 HA PRO 87 HA PRO 87 -0.452 -3.170 -4.161 664 HB2 PRO 87 1HB PRO 87 -0.735 -2.222 -1.690 665 HB3 PRO 87 2HB PRO 87 0.379 -3.550 -2.037 666 HG2 PRO 87 1HG PRO 87 0.963 -0.647 -1.616 667 HG3 PRO 87 2HG PRO 87 1.845 -2.065 -1.022 668 HD2 PRO 87 1HD PRO 87 2.551 -0.583 -3.249 669 HD3 PRO 87 2HD PRO 87 3.049 -2.258 -2.947 670 H ARG 88 H ARG 88 -0.229 -0.810 -5.782 671 HA ARG 88 HA ARG 88 -2.115 1.066 -4.581 672 HB2 ARG 88 1HB ARG 88 -0.576 1.064 -7.157 673 HB3 ARG 88 2HB ARG 88 -1.947 2.139 -6.930 674 HG2 ARG 88 1HG ARG 88 -0.408 2.495 -4.651 675 HG3 ARG 88 2HG ARG 88 0.760 2.375 -5.972 676 HD2 ARG 88 1HD ARG 88 0.226 4.650 -5.885 677 HD3 ARG 88 2HD ARG 88 -0.752 4.025 -7.212 678 HE ARG 88 HE ARG 88 -2.109 4.042 -4.680 679 HH11 ARG 88 2HH1 ARG 88 -1.465 5.799 -7.626 680 HH12 ARG 88 1HH1 ARG 88 -2.683 7.003 -7.325 681 HH21 ARG 88 2HH2 ARG 88 -3.718 5.646 -4.274 682 HH22 ARG 88 1HH2 ARG 88 -3.929 6.937 -5.419 683 H ILE 89 H ILE 89 -4.242 1.046 -4.943 684 HA ILE 89 HA ILE 89 -5.370 -0.996 -6.681 685 HB ILE 89 HB ILE 89 -6.695 1.039 -4.878 686 HG12 ILE 89 1HG1 ILE 89 -5.436 -0.700 -3.671 687 HG13 ILE 89 2HG1 ILE 89 -7.170 -0.866 -3.421 688 HG21 ILE 89 1HG2 ILE 89 -8.345 0.631 -6.427 689 HG22 ILE 89 2HG2 ILE 89 -7.813 -1.025 -6.716 690 HG23 ILE 89 3HG2 ILE 89 -8.666 -0.620 -5.226 691 HD11 ILE 89 3HD1 ILE 89 -7.266 -2.712 -4.945 692 HD12 ILE 89 1HD1 ILE 89 -5.572 -2.487 -5.385 693 HD13 ILE 89 2HD1 ILE 89 -5.997 -3.011 -3.756 694 H LEU 90 H LEU 90 -5.594 -0.553 -8.765 695 HA LEU 90 HA LEU 90 -5.527 2.151 -9.701 696 HB2 LEU 90 1HB LEU 90 -5.869 -0.359 -11.329 697 HB3 LEU 90 2HB LEU 90 -5.402 1.218 -11.924 698 HG LEU 90 HG LEU 90 -3.774 -0.702 -10.281 699 HD11 LEU 90 1HD1 LEU 90 -3.037 -1.247 -12.300 700 HD12 LEU 90 2HD1 LEU 90 -3.911 0.087 -13.051 701 HD13 LEU 90 3HD1 LEU 90 -2.299 0.352 -12.384 702 HD21 LEU 90 3HD2 LEU 90 -3.135 2.187 -10.857 703 HD22 LEU 90 1HD2 LEU 90 -3.465 1.482 -9.274 704 HD23 LEU 90 2HD2 LEU 90 -2.023 0.999 -10.170 705 H ASN 91 H ASN 91 -7.938 -0.489 -9.899 706 HA ASN 91 HA ASN 91 -9.738 0.875 -11.504 707 HB2 ASN 91 1HB ASN 91 -11.509 -0.694 -10.540 708 HB3 ASN 91 2HB ASN 91 -10.132 -1.432 -11.335 709 HD21 ASN 91 1HD2 ASN 91 -10.395 -3.400 -10.296 710 HD22 ASN 91 2HD2 ASN 91 -10.103 -3.614 -8.608 711 H LEU 92 H LEU 92 -10.317 0.325 -8.038 712 HA LEU 92 HA LEU 92 -10.665 2.951 -7.260 713 HB2 LEU 92 1HB LEU 92 -12.591 2.974 -8.810 714 HB3 LEU 92 2HB LEU 92 -13.293 1.619 -7.946 715 HG LEU 92 HG LEU 92 -13.483 3.025 -5.925 716 HD11 LEU 92 1HD1 LEU 92 -11.982 4.894 -7.634 717 HD12 LEU 92 2HD1 LEU 92 -13.293 5.596 -6.688 718 HD13 LEU 92 3HD1 LEU 92 -11.996 4.718 -5.879 719 HD21 LEU 92 3HD2 LEU 92 -15.365 4.278 -6.649 720 HD22 LEU 92 1HD2 LEU 92 -14.745 4.375 -8.296 721 HD23 LEU 92 2HD2 LEU 92 -15.295 2.829 -7.652 722 H GLY 93 H GLY 93 -10.762 2.980 -5.092 723 HA2 GLY 93 2HA GLY 93 -10.360 0.659 -3.632 724 HA3 GLY 93 1HA GLY 93 -10.802 2.209 -2.939 725 H SER 94 H SER 94 -11.564 -0.459 -2.110 726 HA SER 94 HA SER 94 -14.265 -0.970 -2.849 727 HB2 SER 94 1HB SER 94 -12.769 -1.923 -0.401 728 HB3 SER 94 2HB SER 94 -14.210 -2.653 -1.106 729 HG SER 94 HG SER 94 -12.297 -2.401 -2.980 730 H ASN 95 H ASN 95 -14.249 1.667 -2.239 731 HA ASN 95 HA ASN 95 -15.100 2.290 0.413 732 HB2 ASN 95 1HB ASN 95 -15.730 3.720 -2.186 733 HB3 ASN 95 2HB ASN 95 -15.926 4.384 -0.569 734 HD21 ASN 95 1HD2 ASN 95 -13.988 4.345 -3.202 735 HD22 ASN 95 2HD2 ASN 95 -12.498 4.829 -2.475 736 H ARG 96 H ARG 96 -16.657 1.382 -2.580 737 HA ARG 96 HA ARG 96 -19.143 0.884 -1.110 738 HB2 ARG 96 1HB ARG 96 -20.191 0.864 -3.459 739 HB3 ARG 96 2HB ARG 96 -19.787 2.414 -2.740 740 HG2 ARG 96 1HG ARG 96 -19.068 2.625 -4.927 741 HG3 ARG 96 2HG ARG 96 -17.589 2.220 -4.052 742 HD2 ARG 96 1HD ARG 96 -17.764 -0.082 -4.744 743 HD3 ARG 96 2HD ARG 96 -19.317 0.230 -5.512 744 HE ARG 96 HE ARG 96 -16.782 0.569 -6.688 745 HH11 ARG 96 2HH1 ARG 96 -19.907 2.168 -6.482 746 HH12 ARG 96 1HH1 ARG 96 -19.711 3.026 -7.982 747 HH21 ARG 96 2HH2 ARG 96 -16.536 1.682 -8.669 748 HH22 ARG 96 1HH2 ARG 96 -17.782 2.774 -9.207 749 H LEU 97 H LEU 97 -20.148 -0.768 -3.352 750 HA LEU 97 HA LEU 97 -20.222 -2.961 -3.961 751 HB2 LEU 97 1HB LEU 97 -17.262 -2.925 -3.340 752 HB3 LEU 97 2HB LEU 97 -18.111 -4.299 -4.021 753 HG LEU 97 HG LEU 97 -17.871 -1.602 -5.358 754 HD11 LEU 97 1HD1 LEU 97 -16.534 -3.624 -6.794 755 HD12 LEU 97 2HD1 LEU 97 -15.840 -2.210 -6.001 756 HD13 LEU 97 3HD1 LEU 97 -15.986 -3.732 -5.121 757 HD21 LEU 97 3HD2 LEU 97 -19.341 -2.335 -6.850 758 HD22 LEU 97 1HD2 LEU 97 -18.440 -3.835 -7.071 759 HD23 LEU 97 2HD2 LEU 97 -19.652 -3.715 -5.796 760 H ASP 98 H ASP 98 -20.743 -1.995 -1.335 761 HA ASP 98 HA ASP 98 -19.792 -4.031 0.498 762 HB2 ASP 98 1HB ASP 98 -20.791 -2.763 2.230 763 HB3 ASP 98 2HB ASP 98 -20.122 -1.576 1.119 764 H ARG 99 H ARG 99 -22.602 -3.240 -1.360 765 HA ARG 99 HA ARG 99 -24.445 -4.893 -0.033 766 HB2 ARG 99 1HB ARG 99 -25.810 -4.696 -2.089 767 HB3 ARG 99 2HB ARG 99 -25.254 -3.152 -1.463 768 HG2 ARG 99 1HG ARG 99 -23.471 -3.129 -3.132 769 HG3 ARG 99 2HG ARG 99 -24.061 -4.663 -3.765 770 HD2 ARG 99 1HD ARG 99 -26.230 -3.585 -4.261 771 HD3 ARG 99 2HD ARG 99 -25.567 -2.050 -3.701 772 HE ARG 99 HE ARG 99 -23.877 -3.074 -5.686 773 HH11 ARG 99 2HH1 ARG 99 -27.064 -1.655 -5.333 774 HH12 ARG 99 1HH1 ARG 99 -27.152 -1.143 -6.996 775 HH21 ARG 99 2HH2 ARG 99 -23.983 -2.378 -7.851 776 HH22 ARG 99 1HH2 ARG 99 -25.396 -1.536 -8.415 777 H HIS 100 H HIS 100 -24.626 -7.004 0.040 778 HA HIS 100 HA HIS 100 -22.899 -8.665 -1.556 779 HB2 HIS 100 1HB HIS 100 -24.943 -9.252 0.584 780 HB3 HIS 100 2HB HIS 100 -24.101 -10.529 -0.288 781 HD1 HIS 100 HD1 HIS 100 -21.389 -10.448 -0.047 782 HD2 HIS 100 HD2 HIS 100 -23.597 -8.278 2.738 783 HE1 HIS 100 HE1 HIS 100 -19.810 -9.966 1.852 784 HE2 HIS 100 HE2 HIS 100 -21.138 -8.584 3.491 785 H PHE 101 H PHE 101 -23.819 -8.002 -3.616 786 HA PHE 101 HA PHE 101 -26.502 -8.750 -4.283 787 HB2 PHE 101 1HB PHE 101 -25.581 -8.279 -6.679 788 HB3 PHE 101 2HB PHE 101 -25.778 -6.949 -5.546 789 HD1 PHE 101 HD2 PHE 101 -23.073 -9.495 -6.033 790 HD2 PHE 101 HD1 PHE 101 -24.153 -5.381 -5.886 791 HE1 PHE 101 HE2 PHE 101 -20.716 -8.869 -6.347 792 HE2 PHE 101 HE1 PHE 101 -21.795 -4.749 -6.191 793 HZ PHE 101 HZ PHE 101 -20.073 -6.494 -6.428 794 H GLU 102 H GLU 102 -25.350 -10.952 -3.222 795 HA GLU 102 HA GLU 102 -24.173 -12.735 -5.080 796 HB2 GLU 102 1HB GLU 102 -23.996 -12.985 -2.633 797 HB3 GLU 102 2HB GLU 102 -25.718 -13.318 -2.545 798 HG2 GLU 102 1HG GLU 102 -25.351 -15.323 -3.952 799 HG3 GLU 102 2HG GLU 102 -23.617 -15.008 -3.876 800 H LYS 103 H LYS 103 -27.470 -12.090 -4.083 801 HA LYS 103 HA LYS 103 -28.744 -14.291 -5.136 802 HB2 LYS 103 1HB LYS 103 -30.743 -12.622 -5.353 803 HB3 LYS 103 2HB LYS 103 -30.103 -13.042 -3.772 804 HG2 LYS 103 1HG LYS 103 -30.360 -10.755 -3.625 805 HG3 LYS 103 2HG LYS 103 -28.655 -10.919 -4.044 806 HD2 LYS 103 1HD LYS 103 -29.236 -10.502 -6.410 807 HD3 LYS 103 2HD LYS 103 -30.917 -10.263 -5.931 808 HE2 LYS 103 1HE LYS 103 -28.562 -8.622 -5.009 809 HE3 LYS 103 2HE LYS 103 -29.760 -8.129 -6.203 810 HZ1 LYS 103 3HZ LYS 103 -30.922 -7.296 -4.528 811 HZ2 LYS 103 1HZ LYS 103 -29.883 -7.975 -3.372 812 HZ3 LYS 103 2HZ LYS 103 -31.195 -8.872 -3.968 813 H LYS 104 H LYS 104 -29.502 -14.939 -7.022 814 HA LYS 104 HA LYS 104 -29.895 -15.153 -9.218 815 HB2 LYS 104 1HB LYS 104 -29.973 -12.160 -9.056 816 HB3 LYS 104 2HB LYS 104 -30.153 -12.997 -10.592 817 HG2 LYS 104 1HG LYS 104 -32.049 -14.271 -9.588 818 HG3 LYS 104 2HG LYS 104 -31.919 -13.228 -8.169 819 HD2 LYS 104 1HD LYS 104 -32.446 -11.287 -9.456 820 HD3 LYS 104 2HD LYS 104 -32.328 -12.191 -10.968 821 HE2 LYS 104 1HE LYS 104 -34.651 -11.843 -10.404 822 HE3 LYS 104 2HE LYS 104 -34.257 -13.556 -10.276 823 HZ1 LYS 104 3HZ LYS 104 -35.629 -12.454 -8.427 824 HZ2 LYS 104 1HZ LYS 104 -34.151 -11.812 -7.899 825 HZ3 LYS 104 2HZ LYS 104 -34.364 -13.496 -7.979 826 H LYS 105 H LYS 105 -27.505 -12.503 -8.941 827 HA LYS 105 HA LYS 105 -25.440 -14.002 -10.231 828 HB2 LYS 105 1HB LYS 105 -26.898 -13.575 -12.172 829 HB3 LYS 105 2HB LYS 105 -26.856 -11.853 -11.829 830 HG2 LYS 105 1HG LYS 105 -24.458 -11.819 -12.289 831 HG3 LYS 105 2HG LYS 105 -24.505 -13.550 -12.637 832 HD2 LYS 105 1HD LYS 105 -26.057 -13.152 -14.477 833 HD3 LYS 105 2HD LYS 105 -26.059 -11.425 -14.113 834 HE2 LYS 105 1HE LYS 105 -23.673 -11.312 -14.619 835 HE3 LYS 105 2HE LYS 105 -23.659 -13.043 -14.959 836 HZ1 LYS 105 3HZ LYS 105 -25.678 -11.859 -16.502 837 HZ2 LYS 105 1HZ LYS 105 -24.252 -12.610 -17.027 838 HZ3 LYS 105 2HZ LYS 105 -24.260 -10.945 -16.706 839 H LYS 106 H LYS 106 -23.738 -13.246 -9.144 840 HA LYS 106 HA LYS 106 -23.808 -10.669 -7.943 841 HB2 LYS 106 1HB LYS 106 -21.797 -11.238 -6.804 842 HB3 LYS 106 2HB LYS 106 -22.803 -12.675 -6.835 843 HG2 LYS 106 1HG LYS 106 -20.545 -12.172 -8.760 844 HG3 LYS 106 2HG LYS 106 -20.374 -13.066 -7.250 845 HD2 LYS 106 1HD LYS 106 -22.061 -14.674 -8.033 846 HD3 LYS 106 2HD LYS 106 -22.181 -13.789 -9.557 847 HE2 LYS 106 1HE LYS 106 -19.790 -14.218 -9.959 848 HE3 LYS 106 2HE LYS 106 -19.723 -15.160 -8.471 849 HZ1 LYS 106 3HZ LYS 106 -21.351 -16.683 -9.415 850 HZ2 LYS 106 1HZ LYS 106 -19.967 -16.582 -10.394 851 HZ3 LYS 106 2HZ LYS 106 -21.389 -15.778 -10.850 852 H VAL 107 H VAL 107 -22.292 -12.002 -10.698 853 HA VAL 107 HA VAL 107 -21.582 -9.371 -11.642 854 HB VAL 107 HB VAL 107 -19.267 -10.082 -12.342 855 HG11 VAL 107 1HG1 VAL 107 -18.315 -9.862 -9.933 856 HG12 VAL 107 2HG1 VAL 107 -19.205 -8.519 -10.655 857 HG13 VAL 107 3HG1 VAL 107 -20.002 -9.583 -9.495 858 HG21 VAL 107 3HG2 VAL 107 -18.576 -11.889 -10.350 859 HG22 VAL 107 1HG2 VAL 107 -20.091 -12.510 -11.009 860 HG23 VAL 107 2HG2 VAL 107 -18.716 -12.219 -12.077 Start of MODEL 6 1 H1 GLY -1 1H GLY -1 -9.570 -4.061 -3.881 2 H2 GLY -1 2H GLY -1 -10.552 -3.599 -2.580 3 H3 GLY -1 3H GLY -1 -10.911 -3.053 -4.145 4 HA2 GLY -1 1HA GLY -1 -11.149 -5.485 -4.769 5 HA3 GLY -1 2HA GLY -1 -11.188 -5.778 -3.038 6 H GLY 0 H GLY 0 -13.239 -6.341 -2.666 7 HA2 GLY 0 2HA GLY 0 -15.288 -4.367 -2.755 8 HA3 GLY 0 1HA GLY 0 -15.500 -5.561 -4.029 9 H SER 1 H SER 1 -17.344 -5.192 -1.975 10 HA SER 1 HA SER 1 -16.947 -7.053 0.149 11 HB2 SER 1 1HB SER 1 -19.515 -5.775 -0.818 12 HB3 SER 1 2HB SER 1 -19.250 -6.530 0.755 13 HG SER 1 HG SER 1 -17.336 -4.768 0.488 14 H SER 2 H SER 2 -16.441 -8.455 -2.131 15 HA SER 2 HA SER 2 -18.242 -10.660 -1.848 16 HB2 SER 2 1HB SER 2 -18.032 -9.323 -4.567 17 HB3 SER 2 2HB SER 2 -18.812 -10.872 -4.249 18 HG SER 2 HG SER 2 -19.721 -8.884 -2.616 19 H ARG 3 H ARG 3 -15.841 -9.259 -4.041 20 HA ARG 3 HA ARG 3 -13.997 -10.146 -5.051 21 HB2 ARG 3 1HB ARG 3 -12.218 -10.535 -3.429 22 HB3 ARG 3 2HB ARG 3 -13.193 -9.136 -3.013 23 HG2 ARG 3 1HG ARG 3 -14.413 -10.603 -1.379 24 HG3 ARG 3 2HG ARG 3 -13.190 -11.839 -1.698 25 HD2 ARG 3 1HD ARG 3 -11.453 -10.146 -1.085 26 HD3 ARG 3 2HD ARG 3 -12.757 -9.077 -0.575 27 HE ARG 3 HE ARG 3 -12.922 -11.632 0.690 28 HH11 ARG 3 2HH1 ARG 3 -11.360 -8.501 0.801 29 HH12 ARG 3 1HH1 ARG 3 -10.845 -8.659 2.448 30 HH21 ARG 3 2HH2 ARG 3 -12.268 -11.840 2.899 31 HH22 ARG 3 1HH2 ARG 3 -11.389 -10.538 3.651 32 H HIS 4 H HIS 4 -15.448 -11.930 -5.918 33 HA HIS 4 HA HIS 4 -14.554 -14.589 -5.065 34 HB2 HIS 4 1HB HIS 4 -15.855 -15.344 -7.150 35 HB3 HIS 4 2HB HIS 4 -16.789 -14.740 -5.790 36 HD1 HIS 4 HD1 HIS 4 -17.829 -12.325 -6.065 37 HD2 HIS 4 HD2 HIS 4 -16.204 -13.981 -9.519 38 HE1 HIS 4 HE1 HIS 4 -18.679 -10.905 -7.965 39 HE2 HIS 4 HE2 HIS 4 -17.633 -11.885 -10.042 40 H GLN 5 H GLN 5 -12.499 -13.078 -5.531 41 HA GLN 5 HA GLN 5 -11.081 -14.251 -7.696 42 HB2 GLN 5 1HB GLN 5 -12.471 -12.558 -8.908 43 HB3 GLN 5 2HB GLN 5 -11.737 -11.296 -7.933 44 HG2 GLN 5 1HG GLN 5 -10.668 -11.331 -10.064 45 HG3 GLN 5 2HG GLN 5 -9.528 -11.943 -8.864 46 HE21 GLN 5 1HE2 GLN 5 -8.605 -13.866 -9.210 47 HE22 GLN 5 2HE2 GLN 5 -9.074 -14.985 -10.445 48 H PHE 6 H PHE 6 -9.885 -11.198 -7.427 49 HA PHE 6 HA PHE 6 -8.748 -11.101 -4.853 50 HB2 PHE 6 1HB PHE 6 -7.457 -13.049 -5.879 51 HB3 PHE 6 2HB PHE 6 -6.817 -11.903 -7.049 52 HD1 PHE 6 HD2 PHE 6 -7.267 -11.993 -3.340 53 HD2 PHE 6 HD1 PHE 6 -4.674 -11.251 -6.631 54 HE1 PHE 6 HE2 PHE 6 -5.453 -11.424 -1.777 55 HE2 PHE 6 HE1 PHE 6 -2.857 -10.683 -5.077 56 HZ PHE 6 HZ PHE 6 -3.244 -10.767 -2.646 57 H ASP 7 H ASP 7 -7.180 -9.223 -4.780 58 HA ASP 7 HA ASP 7 -8.113 -7.142 -6.508 59 HB2 ASP 7 1HB ASP 7 -6.203 -7.258 -4.212 60 HB3 ASP 7 2HB ASP 7 -6.181 -5.851 -5.272 61 H LEU 8 H LEU 8 -7.268 -8.694 -8.318 62 HA LEU 8 HA LEU 8 -4.496 -8.358 -9.057 63 HB2 LEU 8 1HB LEU 8 -6.848 -9.354 -10.673 64 HB3 LEU 8 2HB LEU 8 -5.159 -9.496 -11.122 65 HG LEU 8 HG LEU 8 -6.366 -10.792 -8.678 66 HD11 LEU 8 1HD1 LEU 8 -7.207 -12.354 -9.998 67 HD12 LEU 8 2HD1 LEU 8 -6.595 -11.513 -11.424 68 HD13 LEU 8 3HD1 LEU 8 -5.582 -12.699 -10.597 69 HD21 LEU 8 3HD2 LEU 8 -3.783 -11.464 -10.053 70 HD22 LEU 8 1HD2 LEU 8 -3.874 -10.263 -8.763 71 HD23 LEU 8 2HD2 LEU 8 -4.330 -11.937 -8.445 72 H ILE 9 H ILE 9 -5.720 -5.921 -8.546 73 HA ILE 9 HA ILE 9 -5.499 -4.657 -11.158 74 HB ILE 9 HB ILE 9 -7.602 -3.990 -9.088 75 HG12 ILE 9 1HG1 ILE 9 -9.137 -4.241 -11.145 76 HG13 ILE 9 2HG1 ILE 9 -7.776 -5.083 -11.875 77 HG21 ILE 9 1HG2 ILE 9 -7.769 -2.505 -11.590 78 HG22 ILE 9 2HG2 ILE 9 -7.982 -1.959 -9.926 79 HG23 ILE 9 3HG2 ILE 9 -6.362 -2.105 -10.605 80 HD11 ILE 9 3HD1 ILE 9 -7.836 -6.756 -10.170 81 HD12 ILE 9 1HD1 ILE 9 -9.089 -5.878 -9.293 82 HD13 ILE 9 2HD1 ILE 9 -9.445 -6.584 -10.872 83 H MET 10 H MET 10 -3.841 -5.333 -8.997 84 HA MET 10 HA MET 10 -3.124 -2.704 -7.932 85 HB2 MET 10 1HB MET 10 -3.015 -3.728 -5.960 86 HB3 MET 10 2HB MET 10 -3.385 -5.268 -6.715 87 HG2 MET 10 1HG MET 10 -0.966 -5.527 -7.197 88 HG3 MET 10 2HG MET 10 -0.686 -4.096 -6.200 89 HE1 MET 10 3HE MET 10 -2.656 -5.496 -2.938 90 HE2 MET 10 1HE MET 10 -1.952 -4.029 -3.627 91 HE3 MET 10 2HE MET 10 -3.370 -4.766 -4.377 92 H CYS 11 H CYS 11 -1.195 -1.905 -8.212 93 HA CYS 11 HA CYS 11 0.141 -2.029 -10.476 94 HB2 CYS 11 1HB CYS 11 0.446 -0.754 -8.106 95 HB3 CYS 11 2HB CYS 11 1.933 -1.689 -8.168 96 H LEU 12 H LEU 12 1.522 -3.643 -7.599 97 HA LEU 12 HA LEU 12 3.111 -5.202 -7.357 98 HB2 LEU 12 1HB LEU 12 1.069 -6.234 -9.170 99 HB3 LEU 12 2HB LEU 12 2.571 -7.145 -9.159 100 HG LEU 12 HG LEU 12 2.178 -7.975 -7.128 101 HD11 LEU 12 1HD1 LEU 12 2.578 -6.343 -5.644 102 HD12 LEU 12 2HD1 LEU 12 1.456 -5.226 -6.421 103 HD13 LEU 12 3HD1 LEU 12 0.840 -6.516 -5.391 104 HD21 LEU 12 3HD2 LEU 12 -0.443 -7.499 -6.569 105 HD22 LEU 12 1HD2 LEU 12 -0.350 -7.293 -8.318 106 HD23 LEU 12 2HD2 LEU 12 0.185 -8.802 -7.577 107 H LYS 13 H LYS 13 4.031 -3.117 -8.977 108 HA LYS 13 HA LYS 13 6.036 -4.583 -10.561 109 HB2 LYS 13 1HB LYS 13 6.471 -1.790 -10.818 110 HB3 LYS 13 2HB LYS 13 6.010 -2.929 -12.071 111 HG2 LYS 13 1HG LYS 13 3.655 -2.536 -11.559 112 HG3 LYS 13 2HG LYS 13 4.126 -1.392 -10.302 113 HD2 LYS 13 1HD LYS 13 4.617 -1.122 -13.267 114 HD3 LYS 13 2HD LYS 13 3.514 -0.169 -12.280 115 HE2 LYS 13 1HE LYS 13 5.224 1.279 -12.223 116 HE3 LYS 13 2HE LYS 13 5.823 0.220 -10.952 117 HZ1 LYS 13 3HZ LYS 13 7.468 -0.573 -12.263 118 HZ2 LYS 13 1HZ LYS 13 7.261 0.899 -13.074 119 HZ3 LYS 13 2HZ LYS 13 6.540 -0.508 -13.682 120 H GLN 14 H GLN 14 8.277 -3.505 -10.263 121 HA GLN 14 HA GLN 14 9.067 -3.819 -7.614 122 HB2 GLN 14 1HB GLN 14 10.477 -3.886 -9.742 123 HB3 GLN 14 2HB GLN 14 10.544 -2.133 -9.631 124 HG2 GLN 14 1HG GLN 14 12.523 -2.916 -8.657 125 HG3 GLN 14 2HG GLN 14 11.481 -2.442 -7.315 126 HE21 GLN 14 1HE2 GLN 14 13.483 -4.789 -8.476 127 HE22 GLN 14 2HE2 GLN 14 12.966 -6.113 -7.488 128 HA PRO 15 HA PRO 15 7.607 0.062 -5.982 129 HB2 PRO 15 1HB PRO 15 8.971 -0.693 -3.524 130 HB3 PRO 15 2HB PRO 15 7.245 -0.499 -3.826 131 HG2 PRO 15 1HG PRO 15 8.381 -2.921 -3.398 132 HG3 PRO 15 2HG PRO 15 6.967 -2.693 -4.444 133 HD2 PRO 15 1HD PRO 15 9.842 -3.056 -5.194 134 HD3 PRO 15 2HD PRO 15 8.381 -3.719 -5.960 135 H GLY 16 H GLY 16 8.416 2.040 -5.351 136 HA2 GLY 16 2HA GLY 16 11.231 2.469 -5.965 137 HA3 GLY 16 1HA GLY 16 10.000 3.708 -5.780 138 H VAL 17 H VAL 17 10.472 4.987 -4.157 139 HA VAL 17 HA VAL 17 11.899 3.899 -1.842 140 HB VAL 17 HB VAL 17 11.653 6.700 -2.894 141 HG11 VAL 17 1HG1 VAL 17 13.204 5.798 -0.477 142 HG12 VAL 17 2HG1 VAL 17 13.104 7.439 -1.121 143 HG13 VAL 17 3HG1 VAL 17 11.674 6.675 -0.424 144 HG21 VAL 17 3HG2 VAL 17 13.827 6.516 -3.631 145 HG22 VAL 17 1HG2 VAL 17 14.207 5.214 -2.501 146 HG23 VAL 17 2HG2 VAL 17 13.212 4.889 -3.920 147 H GLN 18 H GLN 18 9.249 6.128 -2.624 148 HA GLN 18 HA GLN 18 8.613 6.803 -0.007 149 HB2 GLN 18 1HB GLN 18 6.926 6.842 -2.498 150 HB3 GLN 18 2HB GLN 18 6.391 7.506 -0.960 151 HG2 GLN 18 1HG GLN 18 8.297 9.044 -0.970 152 HG3 GLN 18 2HG GLN 18 8.802 8.385 -2.528 153 HE21 GLN 18 1HE2 GLN 18 8.203 9.546 -4.207 154 HE22 GLN 18 2HE2 GLN 18 6.788 10.546 -4.307 155 H THR 19 H THR 19 6.913 6.319 1.346 156 HA THR 19 HA THR 19 6.117 3.529 1.409 157 HB THR 19 HB THR 19 5.560 5.831 3.294 158 HG1 THR 19 HG1 THR 19 7.745 4.413 2.927 159 HG21 THR 19 1HG2 THR 19 3.933 4.533 4.111 160 HG22 THR 19 2HG2 THR 19 5.221 3.476 4.692 161 HG23 THR 19 3HG2 THR 19 4.442 3.151 3.144 162 H GLY 20 H GLY 20 4.000 2.799 1.212 163 HA2 GLY 20 2HA GLY 20 2.214 4.418 -0.371 164 HA3 GLY 20 1HA GLY 20 1.911 2.785 0.206 165 H LEU 21 H LEU 21 0.677 5.735 0.341 166 HA LEU 21 HA LEU 21 0.154 5.826 3.200 167 HB2 LEU 21 1HB LEU 21 -0.508 7.722 0.958 168 HB3 LEU 21 2HB LEU 21 -0.983 7.982 2.625 169 HG LEU 21 HG LEU 21 1.861 7.798 1.630 170 HD11 LEU 21 1HD1 LEU 21 1.880 10.221 2.280 171 HD12 LEU 21 2HD1 LEU 21 0.909 9.833 0.859 172 HD13 LEU 21 3HD1 LEU 21 0.123 10.126 2.411 173 HD21 LEU 21 3HD2 LEU 21 2.473 7.548 3.748 174 HD22 LEU 21 1HD2 LEU 21 1.572 8.995 4.200 175 HD23 LEU 21 2HD2 LEU 21 0.776 7.422 4.212 176 H LEU 22 H LEU 22 -1.732 5.464 4.154 177 HA LEU 22 HA LEU 22 -4.028 4.612 2.519 178 HB2 LEU 22 1HB LEU 22 -3.538 4.329 5.490 179 HB3 LEU 22 2HB LEU 22 -4.969 3.776 4.639 180 HG LEU 22 HG LEU 22 -2.172 2.717 4.276 181 HD11 LEU 22 1HD1 LEU 22 -3.407 0.623 5.174 182 HD12 LEU 22 2HD1 LEU 22 -2.887 1.864 6.313 183 HD13 LEU 22 3HD1 LEU 22 -4.573 1.785 5.803 184 HD21 LEU 22 3HD2 LEU 22 -4.296 1.091 3.217 185 HD22 LEU 22 1HD2 LEU 22 -4.316 2.694 2.483 186 HD23 LEU 22 2HD2 LEU 22 -2.853 1.711 2.417 187 H CYS 23 H CYS 23 -6.042 5.579 2.891 188 HA CYS 23 HA CYS 23 -5.937 8.209 4.165 189 HB2 CYS 23 1HB CYS 23 -7.930 8.766 3.063 190 HB3 CYS 23 2HB CYS 23 -7.062 7.816 1.866 191 H GLU 24 H GLU 24 -7.512 8.705 5.803 192 HA GLU 24 HA GLU 24 -7.630 6.895 7.865 193 HB2 GLU 24 1HB GLU 24 -9.520 9.174 7.280 194 HB3 GLU 24 2HB GLU 24 -9.404 8.345 8.827 195 HG2 GLU 24 1HG GLU 24 -7.065 9.708 7.529 196 HG3 GLU 24 2HG GLU 24 -8.167 10.530 8.633 197 H LYS 25 H LYS 25 -9.859 7.189 5.185 198 HA LYS 25 HA LYS 25 -11.964 5.669 6.338 199 HB2 LYS 25 1HB LYS 25 -11.325 6.106 3.416 200 HB3 LYS 25 2HB LYS 25 -12.856 5.535 4.066 201 HG2 LYS 25 1HG LYS 25 -11.624 8.241 4.541 202 HG3 LYS 25 2HG LYS 25 -12.986 7.883 3.478 203 HD2 LYS 25 1HD LYS 25 -14.316 7.172 5.377 204 HD3 LYS 25 2HD LYS 25 -12.945 7.413 6.458 205 HE2 LYS 25 1HE LYS 25 -14.429 9.287 6.662 206 HE3 LYS 25 2HE LYS 25 -12.954 9.816 5.855 207 HZ1 LYS 25 3HZ LYS 25 -15.618 9.333 4.660 208 HZ2 LYS 25 1HZ LYS 25 -14.215 9.462 3.713 209 HZ3 LYS 25 2HZ LYS 25 -14.712 10.767 4.671 210 H CYS 26 H CYS 26 -9.085 4.822 4.496 211 HA CYS 26 HA CYS 26 -9.838 1.980 4.645 212 HB2 CYS 26 1HB CYS 26 -7.483 3.141 3.146 213 HB3 CYS 26 2HB CYS 26 -8.133 1.513 3.017 214 H ASP 27 H ASP 27 -9.077 3.551 6.919 215 HA ASP 27 HA ASP 27 -6.378 3.368 7.569 216 HB2 ASP 27 1HB ASP 27 -7.721 4.862 8.818 217 HB3 ASP 27 2HB ASP 27 -8.856 3.594 9.264 218 H GLY 28 H GLY 28 -5.150 1.713 7.913 219 HA2 GLY 28 2HA GLY 28 -4.336 -0.219 8.843 220 HA3 GLY 28 1HA GLY 28 -5.787 -0.274 9.828 221 H LYS 29 H LYS 29 -5.820 -0.286 6.323 222 HA LYS 29 HA LYS 29 -6.768 -3.071 6.420 223 HB2 LYS 29 1HB LYS 29 -7.109 -1.026 4.214 224 HB3 LYS 29 2HB LYS 29 -7.708 -2.675 4.179 225 HG2 LYS 29 1HG LYS 29 -9.341 -2.252 5.788 226 HG3 LYS 29 2HG LYS 29 -8.556 -0.764 6.324 227 HD2 LYS 29 1HD LYS 29 -10.548 -0.277 5.005 228 HD3 LYS 29 2HD LYS 29 -9.095 0.295 4.189 229 HE2 LYS 29 1HE LYS 29 -10.460 -0.714 2.538 230 HE3 LYS 29 2HE LYS 29 -9.136 -1.835 2.857 231 HZ1 LYS 29 3HZ LYS 29 -10.605 -3.129 4.260 232 HZ2 LYS 29 1HZ LYS 29 -11.269 -2.964 2.710 233 HZ3 LYS 29 2HZ LYS 29 -11.872 -2.037 3.997 234 H CYS 30 H CYS 30 -5.376 -4.562 5.772 235 HA CYS 30 HA CYS 30 -2.821 -3.995 4.740 236 HB2 CYS 30 1HB CYS 30 -3.178 -6.037 5.922 237 HB3 CYS 30 2HB CYS 30 -4.480 -6.514 4.842 238 HA PRO 31 HA PRO 31 -4.173 -3.148 0.544 239 HB2 PRO 31 1HB PRO 31 -1.359 -2.643 -0.015 240 HB3 PRO 31 2HB PRO 31 -2.714 -1.513 -0.010 241 HG2 PRO 31 1HG PRO 31 -0.752 -1.468 1.855 242 HG3 PRO 31 2HG PRO 31 -2.416 -0.958 2.184 243 HD2 PRO 31 1HD PRO 31 -1.049 -3.527 2.877 244 HD3 PRO 31 2HD PRO 31 -2.196 -2.566 3.835 245 H ILE 32 H ILE 32 -3.970 -5.807 1.072 246 HA ILE 32 HA ILE 32 -2.900 -6.796 -1.431 247 HB ILE 32 HB ILE 32 -2.063 -8.054 1.197 248 HG12 ILE 32 1HG1 ILE 32 -0.780 -5.997 0.216 249 HG13 ILE 32 2HG1 ILE 32 0.127 -7.386 0.796 250 HG21 ILE 32 1HG2 ILE 32 -0.991 -9.779 -0.091 251 HG22 ILE 32 2HG2 ILE 32 -2.690 -9.690 -0.555 252 HG23 ILE 32 3HG2 ILE 32 -1.453 -8.993 -1.601 253 HD11 ILE 32 3HD1 ILE 32 0.728 -8.048 -1.325 254 HD12 ILE 32 1HD1 ILE 32 -0.629 -7.209 -2.084 255 HD13 ILE 32 2HD1 ILE 32 0.742 -6.288 -1.465 256 H CYS 33 H CYS 33 -4.407 -7.648 1.677 257 HA CYS 33 HA CYS 33 -6.160 -9.500 0.220 258 HB2 CYS 33 1HB CYS 33 -6.428 -10.704 2.335 259 HB3 CYS 33 2HB CYS 33 -4.732 -10.582 1.880 260 H ASP 34 H ASP 34 -6.153 -6.569 1.954 261 HA ASP 34 HA ASP 34 -7.780 -5.155 2.648 262 HB2 ASP 34 1HB ASP 34 -8.901 -5.714 0.495 263 HB3 ASP 34 2HB ASP 34 -9.740 -7.032 1.303 264 H SER 35 H SER 35 -7.171 -5.797 4.735 265 HA SER 35 HA SER 35 -9.303 -6.808 6.348 266 HB2 SER 35 1HB SER 35 -8.365 -8.939 5.541 267 HB3 SER 35 2HB SER 35 -6.767 -8.450 6.103 268 HG SER 35 HG SER 35 -8.186 -9.866 7.501 269 H TYR 36 H TYR 36 -8.991 -6.340 8.539 270 HA TYR 36 HA TYR 36 -6.856 -4.424 9.067 271 HB2 TYR 36 1HB TYR 36 -9.228 -5.257 10.752 272 HB3 TYR 36 2HB TYR 36 -8.085 -3.994 11.181 273 HD1 TYR 36 HD1 TYR 36 -10.307 -4.900 8.301 274 HD2 TYR 36 HD2 TYR 36 -8.740 -1.833 10.794 275 HE1 TYR 36 HE1 TYR 36 -11.702 -3.250 7.134 276 HE2 TYR 36 HE2 TYR 36 -10.131 -0.174 9.633 277 HH TYR 36 HH TYR 36 -11.487 0.215 7.910 278 H VAL 37 H VAL 37 -6.718 -7.517 8.960 279 HA VAL 37 HA VAL 37 -6.084 -8.426 11.547 280 HB VAL 37 HB VAL 37 -6.669 -9.931 9.682 281 HG11 VAL 37 1HG1 VAL 37 -5.692 -9.632 7.719 282 HG12 VAL 37 2HG1 VAL 37 -4.404 -8.656 8.425 283 HG13 VAL 37 3HG1 VAL 37 -4.264 -10.415 8.395 284 HG21 VAL 37 3HG2 VAL 37 -3.973 -10.882 10.437 285 HG22 VAL 37 1HG2 VAL 37 -5.082 -10.492 11.751 286 HG23 VAL 37 2HG2 VAL 37 -5.537 -11.691 10.538 287 H ARG 38 H ARG 38 -4.113 -8.888 12.492 288 HA ARG 38 HA ARG 38 -2.388 -6.947 12.927 289 HB2 ARG 38 1HB ARG 38 -0.710 -8.632 13.642 290 HB3 ARG 38 2HB ARG 38 -2.340 -8.989 14.201 291 HG2 ARG 38 1HG ARG 38 -2.587 -10.587 12.326 292 HG3 ARG 38 2HG ARG 38 -0.910 -10.275 11.882 293 HD2 ARG 38 1HD ARG 38 -1.818 -11.350 14.546 294 HD3 ARG 38 2HD ARG 38 -1.217 -12.335 13.214 295 HE ARG 38 HE ARG 38 0.653 -10.306 13.894 296 HH11 ARG 38 2HH1 ARG 38 -0.596 -13.419 14.902 297 HH12 ARG 38 1HH1 ARG 38 0.820 -13.834 15.816 298 HH21 ARG 38 2HH2 ARG 38 2.532 -10.856 15.076 299 HH22 ARG 38 1HH2 ARG 38 2.617 -12.382 15.905 300 HA PRO 39 HA PRO 39 -0.044 -6.195 9.211 301 HB2 PRO 39 1HB PRO 39 1.534 -4.382 10.880 302 HB3 PRO 39 2HB PRO 39 0.474 -4.008 9.520 303 HG2 PRO 39 1HG PRO 39 -0.164 -3.350 12.054 304 HG3 PRO 39 2HG PRO 39 -1.392 -3.805 10.857 305 HD2 PRO 39 1HD PRO 39 -0.171 -5.458 13.041 306 HD3 PRO 39 2HD PRO 39 -1.873 -5.337 12.538 307 H LYS 40 H LYS 40 2.604 -5.480 9.171 308 HA LYS 40 HA LYS 40 4.257 -7.112 10.811 309 HB2 LYS 40 1HB LYS 40 3.185 -8.853 9.383 310 HB3 LYS 40 2HB LYS 40 3.865 -8.061 7.969 311 HG2 LYS 40 1HG LYS 40 5.191 -9.986 8.615 312 HG3 LYS 40 2HG LYS 40 6.116 -8.492 8.796 313 HD2 LYS 40 1HD LYS 40 5.637 -8.493 11.198 314 HD3 LYS 40 2HD LYS 40 4.721 -9.991 11.015 315 HE2 LYS 40 1HE LYS 40 6.703 -11.173 10.322 316 HE3 LYS 40 2HE LYS 40 7.639 -9.680 10.318 317 HZ1 LYS 40 3HZ LYS 40 6.675 -9.725 12.820 318 HZ2 LYS 40 1HZ LYS 40 8.200 -10.312 12.371 319 HZ3 LYS 40 2HZ LYS 40 6.893 -11.382 12.528 320 H ARG 41 H ARG 41 4.072 -5.779 7.491 321 HA ARG 41 HA ARG 41 6.515 -4.267 8.068 322 HB2 ARG 41 1HB ARG 41 6.128 -6.116 5.718 323 HB3 ARG 41 2HB ARG 41 7.342 -4.842 5.736 324 HG2 ARG 41 1HG ARG 41 8.286 -5.871 7.801 325 HG3 ARG 41 2HG ARG 41 7.162 -7.211 7.580 326 HD2 ARG 41 1HD ARG 41 9.244 -6.331 5.589 327 HD3 ARG 41 2HD ARG 41 9.402 -7.696 6.692 328 HE ARG 41 HE ARG 41 7.051 -7.933 5.118 329 HH11 ARG 41 2HH1 ARG 41 10.532 -8.264 4.953 330 HH12 ARG 41 1HH1 ARG 41 10.481 -9.461 3.688 331 HH21 ARG 41 2HH2 ARG 41 6.974 -9.460 3.448 332 HH22 ARG 41 1HH2 ARG 41 8.459 -10.144 2.843 333 H LYS 42 H LYS 42 6.704 -2.340 7.081 334 HA LYS 42 HA LYS 42 4.311 -1.072 6.258 335 HB2 LYS 42 1HB LYS 42 6.238 -0.012 7.479 336 HB3 LYS 42 2HB LYS 42 7.136 -0.043 5.968 337 HG2 LYS 42 1HG LYS 42 5.447 1.390 4.938 338 HG3 LYS 42 2HG LYS 42 4.559 1.429 6.463 339 HD2 LYS 42 1HD LYS 42 7.407 2.354 6.144 340 HD3 LYS 42 2HD LYS 42 6.008 3.424 6.045 341 HE2 LYS 42 1HE LYS 42 5.379 2.811 8.326 342 HE3 LYS 42 2HE LYS 42 6.772 1.732 8.423 343 HZ1 LYS 42 3HZ LYS 42 7.016 4.031 9.426 344 HZ2 LYS 42 1HZ LYS 42 7.073 4.612 7.835 345 HZ3 LYS 42 2HZ LYS 42 8.248 3.520 8.379 346 H VAL 43 H VAL 43 3.597 -0.413 4.276 347 HA VAL 43 HA VAL 43 4.530 -1.935 2.034 348 HB VAL 43 HB VAL 43 2.685 -1.027 0.807 349 HG11 VAL 43 1HG1 VAL 43 0.990 -1.999 1.979 350 HG12 VAL 43 2HG1 VAL 43 2.374 -2.612 2.883 351 HG13 VAL 43 3HG1 VAL 43 1.458 -1.239 3.502 352 HG21 VAL 43 3HG2 VAL 43 1.449 0.695 2.717 353 HG22 VAL 43 1HG2 VAL 43 3.090 1.260 2.401 354 HG23 VAL 43 2HG2 VAL 43 1.958 1.049 1.066 355 H ARG 44 H ARG 44 5.315 -1.183 0.071 356 HA ARG 44 HA ARG 44 6.365 1.570 0.063 357 HB2 ARG 44 1HB ARG 44 7.773 -0.985 -0.348 358 HB3 ARG 44 2HB ARG 44 8.087 0.218 -1.587 359 HG2 ARG 44 1HG ARG 44 9.761 0.318 0.153 360 HG3 ARG 44 2HG ARG 44 8.807 1.800 0.125 361 HD2 ARG 44 1HD ARG 44 9.252 1.012 2.411 362 HD3 ARG 44 2HD ARG 44 7.532 1.062 2.040 363 HE ARG 44 HE ARG 44 7.456 -1.145 2.547 364 HH11 ARG 44 2HH1 ARG 44 10.742 -0.435 1.524 365 HH12 ARG 44 1HH1 ARG 44 11.287 -2.077 1.718 366 HH21 ARG 44 2HH2 ARG 44 8.185 -3.275 2.847 367 HH22 ARG 44 1HH2 ARG 44 9.844 -3.684 2.525 368 H VAL 45 H VAL 45 5.807 2.734 -1.690 369 HA VAL 45 HA VAL 45 4.328 1.351 -3.807 370 HB VAL 45 HB VAL 45 3.786 3.704 -4.593 371 HG11 VAL 45 1HG1 VAL 45 2.782 2.233 -2.288 372 HG12 VAL 45 2HG1 VAL 45 2.374 3.948 -2.265 373 HG13 VAL 45 3HG1 VAL 45 1.916 2.955 -3.646 374 HG21 VAL 45 3HG2 VAL 45 4.159 4.841 -1.954 375 HG22 VAL 45 1HG2 VAL 45 5.694 4.413 -2.708 376 HG23 VAL 45 2HG2 VAL 45 4.576 5.502 -3.534 377 H CYS 46 H CYS 46 4.822 1.539 -5.960 378 HA CYS 46 HA CYS 46 7.582 1.678 -6.585 379 HB2 CYS 46 1HB CYS 46 6.999 0.986 -8.734 380 HB3 CYS 46 2HB CYS 46 5.715 0.305 -7.742 381 H GLU 47 H GLU 47 8.423 2.998 -8.391 382 HA GLU 47 HA GLU 47 8.198 5.774 -7.906 383 HB2 GLU 47 1HB GLU 47 10.197 4.796 -8.913 384 HB3 GLU 47 2HB GLU 47 9.266 4.278 -10.312 385 HG2 GLU 47 1HG GLU 47 8.735 6.779 -10.607 386 HG3 GLU 47 2HG GLU 47 10.100 7.035 -9.521 387 H ASN 48 H ASN 48 6.764 3.626 -10.308 388 HA ASN 48 HA ASN 48 5.430 5.699 -11.754 389 HB2 ASN 48 1HB ASN 48 5.217 2.692 -11.769 390 HB3 ASN 48 2HB ASN 48 4.171 3.712 -12.736 391 HD21 ASN 48 1HD2 ASN 48 7.000 5.339 -12.528 392 HD22 ASN 48 2HD2 ASN 48 7.780 4.760 -13.957 393 H CYS 49 H CYS 49 4.820 5.952 -9.048 394 HA CYS 49 HA CYS 49 1.948 6.046 -9.251 395 HB2 CYS 49 1HB CYS 49 3.328 4.364 -7.181 396 HB3 CYS 49 2HB CYS 49 1.812 5.170 -6.790 397 H SER 50 H SER 50 4.685 6.455 -7.045 398 HA SER 50 HA SER 50 3.581 9.037 -6.220 399 HB2 SER 50 1HB SER 50 5.789 7.374 -4.986 400 HB3 SER 50 2HB SER 50 5.206 8.918 -4.362 401 HG SER 50 HG SER 50 3.100 7.881 -4.222 402 H PHE 51 H PHE 51 4.514 8.913 -8.742 403 HA PHE 51 HA PHE 51 7.243 9.632 -8.998 404 HB2 PHE 51 1HB PHE 51 6.374 10.405 -11.334 405 HB3 PHE 51 2HB PHE 51 6.408 8.695 -10.937 406 HD1 PHE 51 HD2 PHE 51 4.092 11.625 -10.785 407 HD2 PHE 51 HD1 PHE 51 4.545 7.435 -11.348 408 HE1 PHE 51 HE2 PHE 51 1.701 11.443 -11.329 409 HE2 PHE 51 HE1 PHE 51 2.155 7.245 -11.895 410 HZ PHE 51 HZ PHE 51 0.729 9.253 -11.886 411 H GLY 52 H GLY 52 4.273 11.436 -8.595 412 HA2 GLY 52 2HA GLY 52 5.450 13.663 -7.485 413 HA3 GLY 52 1HA GLY 52 5.364 13.999 -9.207 414 H LYS 53 H LYS 53 3.148 13.548 -10.191 415 HA LYS 53 HA LYS 53 1.200 15.046 -8.691 416 HB2 LYS 53 1HB LYS 53 1.066 13.718 -11.401 417 HB3 LYS 53 2HB LYS 53 -0.234 14.681 -10.709 418 HG2 LYS 53 1HG LYS 53 1.280 16.618 -10.622 419 HG3 LYS 53 2HG LYS 53 2.535 15.644 -11.394 420 HD2 LYS 53 1HD LYS 53 1.108 15.336 -13.347 421 HD3 LYS 53 2HD LYS 53 -0.175 16.267 -12.570 422 HE2 LYS 53 1HE LYS 53 1.377 18.207 -12.477 423 HE3 LYS 53 2HE LYS 53 2.545 17.263 -13.402 424 HZ1 LYS 53 3HZ LYS 53 1.121 18.810 -14.728 425 HZ2 LYS 53 1HZ LYS 53 -0.203 17.818 -14.360 426 HZ3 LYS 53 2HZ LYS 53 1.100 17.198 -15.251 427 H GLN 54 H GLN 54 -0.725 14.352 -7.871 428 HA GLN 54 HA GLN 54 -1.891 12.964 -6.506 429 HB2 GLN 54 1HB GLN 54 -3.229 11.292 -7.683 430 HB3 GLN 54 2HB GLN 54 -3.164 12.806 -8.563 431 HG2 GLN 54 1HG GLN 54 -1.129 10.896 -9.393 432 HG3 GLN 54 2HG GLN 54 -2.781 10.317 -9.611 433 HE21 GLN 54 1HE2 GLN 54 -0.383 11.701 -11.190 434 HE22 GLN 54 2HE2 GLN 54 -1.254 12.683 -12.323 435 H ALA 55 H ALA 55 0.589 12.546 -5.879 436 HA ALA 55 HA ALA 55 1.225 9.709 -6.012 437 HB1 ALA 55 3HB ALA 55 3.301 10.481 -4.778 438 HB2 ALA 55 1HB ALA 55 3.079 11.117 -6.408 439 HB3 ALA 55 2HB ALA 55 2.709 12.125 -5.009 440 H LYS 56 H LYS 56 0.448 12.208 -3.641 441 HA LYS 56 HA LYS 56 0.667 10.314 -1.464 442 HB2 LYS 56 1HB LYS 56 -0.002 13.251 -1.515 443 HB3 LYS 56 2HB LYS 56 0.101 12.291 -0.045 444 HG2 LYS 56 1HG LYS 56 2.458 11.755 -0.645 445 HG3 LYS 56 2HG LYS 56 2.320 12.896 -1.985 446 HD2 LYS 56 1HD LYS 56 1.936 13.543 0.936 447 HD3 LYS 56 2HD LYS 56 3.358 13.936 -0.032 448 HE2 LYS 56 1HE LYS 56 2.024 15.375 -1.458 449 HE3 LYS 56 2HE LYS 56 0.562 14.931 -0.577 450 HZ1 LYS 56 3HZ LYS 56 1.343 16.021 1.353 451 HZ2 LYS 56 1HZ LYS 56 1.583 17.103 0.070 452 HZ3 LYS 56 2HZ LYS 56 2.895 16.239 0.703 453 H ASN 57 H ASN 57 -1.556 9.971 -3.411 454 HA ASN 57 HA ASN 57 -3.783 10.362 -1.552 455 HB2 ASN 57 1HB ASN 57 -5.301 9.610 -3.318 456 HB3 ASN 57 2HB ASN 57 -4.370 11.007 -3.820 457 HD21 ASN 57 1HD2 ASN 57 -3.697 10.929 -5.796 458 HD22 ASN 57 2HD2 ASN 57 -3.336 9.499 -6.710 459 H CYS 58 H CYS 58 -5.017 8.662 -0.880 460 HA CYS 58 HA CYS 58 -3.705 6.578 0.249 461 HB2 CYS 58 1HB CYS 58 -5.852 7.240 0.985 462 HB3 CYS 58 2HB CYS 58 -6.571 6.902 -0.580 463 H ILE 59 H ILE 59 -2.923 4.706 -0.347 464 HA ILE 59 HA ILE 59 -2.705 4.020 -3.045 465 HB ILE 59 HB ILE 59 -1.628 1.928 -2.203 466 HG12 ILE 59 1HG1 ILE 59 -2.432 3.105 0.473 467 HG13 ILE 59 2HG1 ILE 59 -2.887 1.531 -0.170 468 HG21 ILE 59 1HG2 ILE 59 -0.861 4.630 -1.986 469 HG22 ILE 59 2HG2 ILE 59 -0.230 3.802 -0.563 470 HG23 ILE 59 3HG2 ILE 59 0.179 3.217 -2.177 471 HD11 ILE 59 3HD1 ILE 59 -1.198 0.730 1.026 472 HD12 ILE 59 1HD1 ILE 59 -0.139 1.446 -0.188 473 HD13 ILE 59 2HD1 ILE 59 -0.512 2.337 1.299 474 H ILE 60 H ILE 60 -4.946 2.892 -0.605 475 HA ILE 60 HA ILE 60 -5.801 0.624 -2.113 476 HB ILE 60 HB ILE 60 -7.032 1.962 0.299 477 HG12 ILE 60 1HG1 ILE 60 -5.399 -0.563 -0.056 478 HG13 ILE 60 2HG1 ILE 60 -4.871 0.923 0.729 479 HG21 ILE 60 1HG2 ILE 60 -8.864 0.731 0.044 480 HG22 ILE 60 2HG2 ILE 60 -8.246 0.141 -1.498 481 HG23 ILE 60 3HG2 ILE 60 -7.889 -0.738 -0.011 482 HD11 ILE 60 3HD1 ILE 60 -6.497 -1.281 1.754 483 HD12 ILE 60 1HD1 ILE 60 -5.445 -0.148 2.604 484 HD13 ILE 60 2HD1 ILE 60 -7.087 0.328 2.167 485 H CYS 61 H CYS 61 -7.283 3.849 -1.508 486 HA CYS 61 HA CYS 61 -9.239 3.090 -3.551 487 HB2 CYS 61 1HB CYS 61 -10.799 4.655 -2.578 488 HB3 CYS 61 2HB CYS 61 -10.199 3.555 -1.342 489 H ASN 62 H ASN 62 -6.519 4.951 -3.289 490 HA ASN 62 HA ASN 62 -5.680 6.788 -4.360 491 HB2 ASN 62 1HB ASN 62 -5.891 6.598 -6.854 492 HB3 ASN 62 2HB ASN 62 -5.297 5.167 -6.033 493 HD21 ASN 62 1HD2 ASN 62 -7.831 6.551 -7.915 494 HD22 ASN 62 2HD2 ASN 62 -8.702 5.082 -8.211 495 H LEU 63 H LEU 63 -7.816 7.749 -3.106 496 HA LEU 63 HA LEU 63 -8.821 9.730 -5.003 497 HB2 LEU 63 1HB LEU 63 -10.296 7.528 -4.279 498 HB3 LEU 63 2HB LEU 63 -10.856 8.741 -3.146 499 HG LEU 63 HG LEU 63 -12.363 8.848 -4.931 500 HD11 LEU 63 1HD1 LEU 63 -11.466 10.987 -6.255 501 HD12 LEU 63 2HD1 LEU 63 -12.093 11.063 -4.608 502 HD13 LEU 63 3HD1 LEU 63 -10.352 11.006 -4.887 503 HD21 LEU 63 3HD2 LEU 63 -11.924 8.448 -7.123 504 HD22 LEU 63 1HD2 LEU 63 -10.316 9.170 -7.051 505 HD23 LEU 63 2HD2 LEU 63 -10.588 7.554 -6.395 506 H ASN 64 H ASN 64 -9.159 8.642 -1.635 507 HA ASN 64 HA ASN 64 -9.162 11.342 -0.618 508 HB2 ASN 64 1HB ASN 64 -8.956 8.677 0.796 509 HB3 ASN 64 2HB ASN 64 -9.058 10.230 1.614 510 HD21 ASN 64 1HD2 ASN 64 -10.779 7.635 0.809 511 HD22 ASN 64 2HD2 ASN 64 -12.359 8.321 0.686 512 H VAL 65 H VAL 65 -7.479 12.328 0.536 513 HA VAL 65 HA VAL 65 -4.850 11.741 -0.356 514 HB VAL 65 HB VAL 65 -5.713 13.490 1.957 515 HG11 VAL 65 1HG1 VAL 65 -3.293 12.758 1.907 516 HG12 VAL 65 2HG1 VAL 65 -3.146 13.654 0.395 517 HG13 VAL 65 3HG1 VAL 65 -3.573 14.499 1.884 518 HG21 VAL 65 3HG2 VAL 65 -5.202 15.296 0.180 519 HG22 VAL 65 1HG2 VAL 65 -5.425 13.985 -0.980 520 HG23 VAL 65 2HG2 VAL 65 -6.741 14.436 0.105 521 H GLY 66 H GLY 66 -3.286 10.508 0.502 522 HA2 GLY 66 2HA GLY 66 -3.980 8.667 2.600 523 HA3 GLY 66 1HA GLY 66 -2.455 8.742 1.733 524 H VAL 67 H VAL 67 -3.280 8.599 4.659 525 HA VAL 67 HA VAL 67 -1.502 10.759 5.556 526 HB VAL 67 HB VAL 67 -2.900 10.931 7.640 527 HG11 VAL 67 1HG1 VAL 67 -3.748 12.753 6.688 528 HG12 VAL 67 2HG1 VAL 67 -3.264 12.111 5.117 529 HG13 VAL 67 3HG1 VAL 67 -4.878 11.777 5.746 530 HG21 VAL 67 3HG2 VAL 67 -4.185 8.705 6.607 531 HG22 VAL 67 1HG2 VAL 67 -4.712 9.682 7.978 532 HG23 VAL 67 2HG2 VAL 67 -5.332 10.023 6.364 533 H ASN 68 H ASN 68 -2.874 7.558 6.256 534 HA ASN 68 HA ASN 68 -0.804 7.119 8.282 535 HB2 ASN 68 1HB ASN 68 -2.661 4.911 7.628 536 HB3 ASN 68 2HB ASN 68 -2.136 5.511 9.194 537 HD21 ASN 68 1HD2 ASN 68 -3.484 6.756 10.330 538 HD22 ASN 68 2HD2 ASN 68 -4.995 7.372 9.748 539 H ASP 69 H ASP 69 0.846 5.646 8.042 540 HA ASP 69 HA ASP 69 1.460 4.692 5.374 541 HB2 ASP 69 1HB ASP 69 2.755 4.193 8.075 542 HB3 ASP 69 2HB ASP 69 3.335 3.462 6.588 543 H ALA 70 H ALA 70 0.935 2.808 4.511 544 HA ALA 70 HA ALA 70 -0.777 1.015 5.980 545 HB1 ALA 70 3HB ALA 70 -0.145 1.514 3.209 546 HB2 ALA 70 1HB ALA 70 -0.153 -0.212 3.575 547 HB3 ALA 70 2HB ALA 70 -1.576 0.770 3.927 548 H PHE 71 H PHE 71 -0.404 -1.157 6.410 549 HA PHE 71 HA PHE 71 2.368 -2.087 6.147 550 HB2 PHE 71 1HB PHE 71 0.612 -2.142 8.581 551 HB3 PHE 71 2HB PHE 71 1.828 -3.389 8.347 552 HD1 PHE 71 HD2 PHE 71 1.711 0.345 8.020 553 HD2 PHE 71 HD1 PHE 71 3.705 -3.077 9.577 554 HE1 PHE 71 HE2 PHE 71 3.404 1.802 9.048 555 HE2 PHE 71 HE1 PHE 71 5.399 -1.626 10.611 556 HZ PHE 71 HZ PHE 71 5.250 0.817 10.346 557 H TYR 72 H TYR 72 2.562 -4.096 5.338 558 HA TYR 72 HA TYR 72 0.261 -5.536 4.401 559 HB2 TYR 72 1HB TYR 72 3.083 -6.585 4.712 560 HB3 TYR 72 2HB TYR 72 1.816 -7.241 3.685 561 HD1 TYR 72 HD2 TYR 72 0.985 -5.747 1.763 562 HD2 TYR 72 HD1 TYR 72 4.617 -5.071 3.865 563 HE1 TYR 72 HE2 TYR 72 1.820 -4.419 -0.128 564 HE2 TYR 72 HE1 TYR 72 5.470 -3.741 1.986 565 HH TYR 72 HH TYR 72 4.741 -3.780 -0.798 566 H CYS 73 H CYS 73 -0.849 -7.107 5.460 567 HA CYS 73 HA CYS 73 -0.409 -7.496 8.231 568 HB2 CYS 73 1HB CYS 73 -2.343 -8.788 8.251 569 HB3 CYS 73 2HB CYS 73 -2.620 -7.695 6.902 570 H TRP 74 H TRP 74 0.111 -9.428 9.324 571 HA TRP 74 HA TRP 74 2.472 -10.605 8.539 572 HB2 TRP 74 1HB TRP 74 1.675 -10.603 10.850 573 HB3 TRP 74 2HB TRP 74 0.385 -11.723 10.423 574 HD1 TRP 74 HD1 TRP 74 4.247 -11.815 9.918 575 HE1 TRP 74 HE1 TRP 74 5.080 -14.143 10.637 576 HE3 TRP 74 HE3 TRP 74 -0.222 -13.848 11.336 577 HZ2 TRP 74 HZ2 TRP 74 3.972 -16.528 11.678 578 HZ3 TRP 74 HZ3 TRP 74 -0.249 -16.160 12.183 579 HH2 TRP 74 HH2 TRP 74 1.803 -17.474 12.341 580 H GLU 75 H GLU 75 -0.816 -11.783 7.994 581 HA GLU 75 HA GLU 75 -0.167 -14.367 7.139 582 HB2 GLU 75 1HB GLU 75 -2.489 -12.642 6.276 583 HB3 GLU 75 2HB GLU 75 -2.376 -14.385 6.071 584 HG2 GLU 75 1HG GLU 75 -2.194 -14.583 8.555 585 HG3 GLU 75 2HG GLU 75 -2.542 -12.858 8.656 586 H CYS 76 H CYS 76 -0.541 -11.377 5.255 587 HA CYS 76 HA CYS 76 0.029 -12.594 2.743 588 HB2 CYS 76 1HB CYS 76 0.113 -9.720 3.653 589 HB3 CYS 76 2HB CYS 76 0.471 -10.214 2.002 590 H CYS 77 H CYS 77 1.982 -11.028 5.213 591 HA CYS 77 HA CYS 77 4.405 -10.878 3.787 592 HB2 CYS 77 1HB CYS 77 4.011 -9.679 5.897 593 HB3 CYS 77 2HB CYS 77 3.948 -11.210 6.761 594 HG CYS 77 HG CYS 77 6.710 -11.761 5.835 595 H ARG 78 H ARG 78 3.011 -13.396 5.829 596 HA ARG 78 HA ARG 78 5.135 -15.202 5.895 597 HB2 ARG 78 1HB ARG 78 3.146 -15.428 7.287 598 HB3 ARG 78 2HB ARG 78 2.150 -15.708 5.868 599 HG2 ARG 78 1HG ARG 78 2.442 -17.827 6.744 600 HG3 ARG 78 2HG ARG 78 3.661 -17.751 5.471 601 HD2 ARG 78 1HD ARG 78 4.196 -17.202 8.388 602 HD3 ARG 78 2HD ARG 78 4.472 -18.751 7.596 603 HE ARG 78 HE ARG 78 6.125 -16.404 7.461 604 HH11 ARG 78 2HH1 ARG 78 5.241 -19.380 5.812 605 HH12 ARG 78 1HH1 ARG 78 6.677 -19.398 4.829 606 HH21 ARG 78 2HH2 ARG 78 7.975 -16.426 6.185 607 HH22 ARG 78 1HH2 ARG 78 8.233 -17.695 5.025 608 H LEU 79 H LEU 79 2.419 -15.012 3.622 609 HA LEU 79 HA LEU 79 3.345 -17.163 2.007 610 HB2 LEU 79 1HB LEU 79 1.204 -15.101 1.754 611 HB3 LEU 79 2HB LEU 79 1.654 -16.038 0.343 612 HG LEU 79 HG LEU 79 -0.278 -17.027 1.423 613 HD11 LEU 79 1HD1 LEU 79 1.985 -18.862 2.088 614 HD12 LEU 79 2HD1 LEU 79 0.425 -19.226 1.348 615 HD13 LEU 79 3HD1 LEU 79 1.671 -18.395 0.415 616 HD21 LEU 79 3HD2 LEU 79 1.477 -17.330 3.858 617 HD22 LEU 79 1HD2 LEU 79 0.111 -16.224 3.699 618 HD23 LEU 79 2HD2 LEU 79 -0.156 -17.968 3.666 619 H GLY 80 H GLY 80 3.930 -13.745 2.026 620 HA2 GLY 80 2HA GLY 80 5.638 -12.631 0.867 621 HA3 GLY 80 1HA GLY 80 5.845 -14.051 -0.149 622 H LYS 81 H LYS 81 2.755 -12.603 0.514 623 HA LYS 81 HA LYS 81 2.264 -12.113 -2.301 624 HB2 LYS 81 1HB LYS 81 0.506 -11.279 0.006 625 HB3 LYS 81 2HB LYS 81 0.032 -11.622 -1.652 626 HG2 LYS 81 1HG LYS 81 0.424 -13.974 -1.332 627 HG3 LYS 81 2HG LYS 81 1.058 -13.679 0.290 628 HD2 LYS 81 1HD LYS 81 -1.155 -14.389 0.621 629 HD3 LYS 81 2HD LYS 81 -1.202 -12.637 0.810 630 HE2 LYS 81 1HE LYS 81 -3.078 -13.265 -0.517 631 HE3 LYS 81 2HE LYS 81 -1.912 -12.484 -1.585 632 HZ1 LYS 81 3HZ LYS 81 -1.270 -14.548 -2.483 633 HZ2 LYS 81 1HZ LYS 81 -2.968 -14.587 -2.438 634 HZ3 LYS 81 2HZ LYS 81 -2.066 -15.426 -1.270 635 H ASP 82 H ASP 82 3.231 -10.510 0.561 636 HA ASP 82 HA ASP 82 2.680 -7.830 -0.185 637 HB2 ASP 82 1HB ASP 82 4.239 -7.251 1.654 638 HB3 ASP 82 2HB ASP 82 2.992 -8.385 2.145 639 H LYS 83 H LYS 83 5.493 -9.937 -0.464 640 HA LYS 83 HA LYS 83 7.058 -7.829 -1.678 641 HB2 LYS 83 1HB LYS 83 7.678 -10.753 -1.241 642 HB3 LYS 83 2HB LYS 83 8.814 -9.576 -1.885 643 HG2 LYS 83 1HG LYS 83 7.552 -9.485 0.849 644 HG3 LYS 83 2HG LYS 83 9.192 -10.016 0.486 645 HD2 LYS 83 1HD LYS 83 8.108 -7.253 -0.062 646 HD3 LYS 83 2HD LYS 83 9.092 -7.695 1.331 647 HE2 LYS 83 1HE LYS 83 10.946 -8.261 -0.098 648 HE3 LYS 83 2HE LYS 83 9.964 -8.000 -1.539 649 HZ1 LYS 83 3HZ LYS 83 9.778 -5.663 -0.114 650 HZ2 LYS 83 1HZ LYS 83 10.701 -5.927 -1.509 651 HZ3 LYS 83 2HZ LYS 83 11.412 -6.105 0.020 652 H ASP 84 H ASP 84 4.595 -8.782 -3.026 653 HA ASP 84 HA ASP 84 5.591 -9.996 -5.470 654 HB2 ASP 84 1HB ASP 84 3.236 -10.372 -4.584 655 HB3 ASP 84 2HB ASP 84 2.886 -8.711 -5.051 656 H GLY 85 H GLY 85 4.149 -6.873 -4.507 657 HA2 GLY 85 2HA GLY 85 6.203 -5.378 -5.632 658 HA3 GLY 85 1HA GLY 85 4.937 -5.471 -6.843 659 H CYS 86 H CYS 86 4.582 -3.309 -6.787 660 HA CYS 86 HA CYS 86 4.112 -1.733 -4.514 661 HB2 CYS 86 1HB CYS 86 4.854 -0.794 -6.587 662 HB3 CYS 86 2HB CYS 86 3.467 -1.433 -7.446 663 HA PRO 87 HA PRO 87 -0.070 -3.122 -3.665 664 HB2 PRO 87 1HB PRO 87 -0.356 -1.883 -1.306 665 HB3 PRO 87 2HB PRO 87 0.740 -3.260 -1.503 666 HG2 PRO 87 1HG PRO 87 1.367 -0.333 -1.473 667 HG3 PRO 87 2HG PRO 87 2.205 -1.660 -0.649 668 HD2 PRO 87 1HD PRO 87 3.064 -0.573 -3.003 669 HD3 PRO 87 2HD PRO 87 3.377 -2.254 -2.529 670 H ARG 88 H ARG 88 0.129 -1.006 -5.544 671 HA ARG 88 HA ARG 88 -1.831 0.961 -4.584 672 HB2 ARG 88 1HB ARG 88 0.105 0.924 -6.880 673 HB3 ARG 88 2HB ARG 88 -1.262 2.029 -6.872 674 HG2 ARG 88 1HG ARG 88 0.616 1.915 -4.552 675 HG3 ARG 88 2HG ARG 88 1.014 2.843 -6.000 676 HD2 ARG 88 1HD ARG 88 -1.480 3.169 -4.344 677 HD3 ARG 88 2HD ARG 88 -0.065 4.217 -4.271 678 HE ARG 88 HE ARG 88 -0.992 4.091 -6.927 679 HH11 ARG 88 2HH1 ARG 88 -1.900 5.390 -3.810 680 HH12 ARG 88 1HH1 ARG 88 -2.816 6.702 -4.481 681 HH21 ARG 88 2HH2 ARG 88 -2.165 5.811 -7.818 682 HH22 ARG 88 1HH2 ARG 88 -2.959 6.949 -6.769 683 H ILE 89 H ILE 89 -3.811 1.227 -5.595 684 HA ILE 89 HA ILE 89 -4.613 -0.923 -7.435 685 HB ILE 89 HB ILE 89 -6.328 1.145 -6.046 686 HG12 ILE 89 1HG1 ILE 89 -5.359 -0.386 -4.427 687 HG13 ILE 89 2HG1 ILE 89 -7.069 -0.751 -4.631 688 HG21 ILE 89 1HG2 ILE 89 -8.162 0.287 -7.062 689 HG22 ILE 89 2HG2 ILE 89 -6.984 -0.124 -8.311 690 HG23 ILE 89 3HG2 ILE 89 -7.491 -1.343 -7.140 691 HD11 ILE 89 3HD1 ILE 89 -6.640 -2.735 -5.745 692 HD12 ILE 89 1HD1 ILE 89 -4.999 -2.253 -6.179 693 HD13 ILE 89 2HD1 ILE 89 -5.378 -2.686 -4.511 694 H LEU 90 H LEU 90 -4.682 -0.507 -9.560 695 HA LEU 90 HA LEU 90 -5.405 2.038 -10.666 696 HB2 LEU 90 1HB LEU 90 -3.279 2.572 -11.657 697 HB3 LEU 90 2HB LEU 90 -3.130 2.523 -9.916 698 HG LEU 90 HG LEU 90 -2.401 0.082 -11.476 699 HD11 LEU 90 1HD1 LEU 90 -1.261 1.810 -12.714 700 HD12 LEU 90 2HD1 LEU 90 -0.693 2.557 -11.220 701 HD13 LEU 90 3HD1 LEU 90 -0.092 0.969 -11.696 702 HD21 LEU 90 3HD2 LEU 90 -1.846 1.277 -8.840 703 HD22 LEU 90 1HD2 LEU 90 -2.095 -0.410 -9.302 704 HD23 LEU 90 2HD2 LEU 90 -0.538 0.372 -9.601 705 H ASN 91 H ASN 91 -4.092 -1.172 -11.113 706 HA ASN 91 HA ASN 91 -3.447 -1.773 -13.497 707 HB2 ASN 91 1HB ASN 91 -4.517 -3.285 -11.634 708 HB3 ASN 91 2HB ASN 91 -5.906 -3.280 -12.707 709 HD21 ASN 91 1HD2 ASN 91 -4.033 -5.364 -11.822 710 HD22 ASN 91 2HD2 ASN 91 -3.492 -6.111 -13.267 711 H LEU 92 H LEU 92 -6.985 -1.623 -13.067 712 HA LEU 92 HA LEU 92 -7.381 -0.071 -15.407 713 HB2 LEU 92 1HB LEU 92 -8.910 -2.127 -16.282 714 HB3 LEU 92 2HB LEU 92 -7.343 -1.693 -16.922 715 HG LEU 92 HG LEU 92 -6.278 -3.435 -15.598 716 HD11 LEU 92 1HD1 LEU 92 -7.797 -5.115 -14.456 717 HD12 LEU 92 2HD1 LEU 92 -7.542 -3.585 -13.615 718 HD13 LEU 92 3HD1 LEU 92 -9.043 -3.867 -14.497 719 HD21 LEU 92 3HD2 LEU 92 -8.706 -4.381 -17.094 720 HD22 LEU 92 1HD2 LEU 92 -7.145 -3.952 -17.800 721 HD23 LEU 92 2HD2 LEU 92 -7.274 -5.350 -16.729 722 H GLY 93 H GLY 93 -9.409 0.767 -15.536 723 HA2 GLY 93 2HA GLY 93 -11.200 0.086 -13.294 724 HA3 GLY 93 1HA GLY 93 -11.204 1.609 -14.174 725 H SER 94 H SER 94 -12.908 -1.077 -13.699 726 HA SER 94 HA SER 94 -14.719 -1.993 -14.674 727 HB2 SER 94 1HB SER 94 -14.338 0.049 -16.872 728 HB3 SER 94 2HB SER 94 -15.762 -0.964 -16.649 729 HG SER 94 HG SER 94 -15.317 1.393 -15.588 730 H ASN 95 H ASN 95 -12.203 -1.290 -17.062 731 HA ASN 95 HA ASN 95 -12.572 -3.716 -18.527 732 HB2 ASN 95 1HB ASN 95 -10.297 -1.758 -18.262 733 HB3 ASN 95 2HB ASN 95 -10.093 -3.275 -19.131 734 HD21 ASN 95 1HD2 ASN 95 -10.299 -3.069 -21.212 735 HD22 ASN 95 2HD2 ASN 95 -11.343 -1.966 -22.041 736 H ARG 96 H ARG 96 -11.763 -5.709 -18.100 737 HA ARG 96 HA ARG 96 -10.186 -5.955 -15.627 738 HB2 ARG 96 1HB ARG 96 -12.717 -7.225 -16.417 739 HB3 ARG 96 2HB ARG 96 -11.518 -8.330 -15.758 740 HG2 ARG 96 1HG ARG 96 -12.601 -5.859 -14.431 741 HG3 ARG 96 2HG ARG 96 -12.964 -7.533 -14.005 742 HD2 ARG 96 1HD ARG 96 -10.476 -7.826 -13.587 743 HD3 ARG 96 2HD ARG 96 -10.344 -6.071 -13.727 744 HE ARG 96 HE ARG 96 -11.268 -5.852 -11.653 745 HH11 ARG 96 2HH1 ARG 96 -11.720 -9.151 -12.751 746 HH12 ARG 96 1HH1 ARG 96 -12.528 -9.659 -11.292 747 HH21 ARG 96 2HH2 ARG 96 -12.266 -6.535 -9.700 748 HH22 ARG 96 1HH2 ARG 96 -12.797 -8.182 -9.553 749 H LEU 97 H LEU 97 -10.112 -8.822 -15.859 750 HA LEU 97 HA LEU 97 -7.848 -8.979 -17.659 751 HB2 LEU 97 1HB LEU 97 -8.945 -11.121 -15.842 752 HB3 LEU 97 2HB LEU 97 -7.337 -11.037 -16.541 753 HG LEU 97 HG LEU 97 -8.466 -9.189 -14.427 754 HD11 LEU 97 1HD1 LEU 97 -7.680 -11.648 -13.940 755 HD12 LEU 97 2HD1 LEU 97 -6.074 -10.929 -14.066 756 HD13 LEU 97 3HD1 LEU 97 -7.220 -10.321 -12.872 757 HD21 LEU 97 3HD2 LEU 97 -5.588 -9.159 -15.084 758 HD22 LEU 97 1HD2 LEU 97 -6.664 -8.434 -16.279 759 HD23 LEU 97 2HD2 LEU 97 -6.665 -7.842 -14.618 760 H ASP 98 H ASP 98 -10.521 -8.761 -18.750 761 HA ASP 98 HA ASP 98 -11.155 -11.320 -19.922 762 HB2 ASP 98 1HB ASP 98 -12.998 -9.798 -19.581 763 HB3 ASP 98 2HB ASP 98 -12.165 -8.523 -20.464 764 H ARG 99 H ARG 99 -10.528 -12.044 -21.879 765 HA ARG 99 HA ARG 99 -9.219 -12.296 -23.719 766 HB2 ARG 99 1HB ARG 99 -10.491 -10.221 -24.429 767 HB3 ARG 99 2HB ARG 99 -9.118 -9.280 -23.866 768 HG2 ARG 99 1HG ARG 99 -7.701 -10.601 -25.478 769 HG3 ARG 99 2HG ARG 99 -9.207 -11.244 -26.137 770 HD2 ARG 99 1HD ARG 99 -8.555 -9.383 -27.489 771 HD3 ARG 99 2HD ARG 99 -9.953 -8.895 -26.533 772 HE ARG 99 HE ARG 99 -7.210 -7.932 -26.275 773 HH11 ARG 99 2HH1 ARG 99 -10.512 -7.873 -25.045 774 HH12 ARG 99 1HH1 ARG 99 -10.224 -6.518 -23.993 775 HH21 ARG 99 2HH2 ARG 99 -6.852 -6.141 -24.902 776 HH22 ARG 99 1HH2 ARG 99 -8.161 -5.519 -23.942 777 H HIS 100 H HIS 100 -8.097 -12.279 -21.145 778 HA HIS 100 HA HIS 100 -5.375 -11.297 -21.724 779 HB2 HIS 100 1HB HIS 100 -6.923 -11.187 -19.150 780 HB3 HIS 100 2HB HIS 100 -5.168 -11.282 -19.124 781 HD1 HIS 100 HD1 HIS 100 -7.729 -9.088 -20.938 782 HD2 HIS 100 HD2 HIS 100 -4.090 -8.844 -18.936 783 HE1 HIS 100 HE1 HIS 100 -7.126 -6.650 -20.923 784 HE2 HIS 100 HE2 HIS 100 -4.984 -6.509 -19.600 785 H PHE 101 H PHE 101 -7.353 -13.645 -19.999 786 HA PHE 101 HA PHE 101 -7.077 -15.817 -19.465 787 HB2 PHE 101 1HB PHE 101 -5.089 -15.629 -21.723 788 HB3 PHE 101 2HB PHE 101 -5.403 -17.138 -20.877 789 HD1 PHE 101 HD1 PHE 101 -7.503 -14.386 -22.305 790 HD2 PHE 101 HD2 PHE 101 -6.746 -18.566 -22.046 791 HE1 PHE 101 HE1 PHE 101 -9.424 -14.821 -23.775 792 HE2 PHE 101 HE2 PHE 101 -8.661 -19.006 -23.526 793 HZ PHE 101 HZ PHE 101 -10.006 -17.133 -24.388 794 H GLU 102 H GLU 102 -3.695 -15.709 -20.305 795 HA GLU 102 HA GLU 102 -1.804 -16.042 -19.116 796 HB2 GLU 102 1HB GLU 102 -3.265 -14.432 -17.018 797 HB3 GLU 102 2HB GLU 102 -1.543 -14.793 -17.002 798 HG2 GLU 102 1HG GLU 102 -1.294 -13.585 -19.134 799 HG3 GLU 102 2HG GLU 102 -3.008 -13.179 -19.080 800 H LYS 103 H LYS 103 -3.735 -18.000 -19.111 801 HA LYS 103 HA LYS 103 -2.878 -19.556 -16.810 802 HB2 LYS 103 1HB LYS 103 -5.790 -19.523 -17.655 803 HB3 LYS 103 2HB LYS 103 -5.085 -20.420 -16.319 804 HG2 LYS 103 1HG LYS 103 -4.607 -18.317 -15.161 805 HG3 LYS 103 2HG LYS 103 -5.332 -17.424 -16.500 806 HD2 LYS 103 1HD LYS 103 -7.453 -18.692 -16.082 807 HD3 LYS 103 2HD LYS 103 -6.701 -19.349 -14.627 808 HE2 LYS 103 1HE LYS 103 -7.246 -16.446 -15.230 809 HE3 LYS 103 2HE LYS 103 -8.069 -17.452 -14.038 810 HZ1 LYS 103 3HZ LYS 103 -6.582 -16.537 -12.648 811 HZ2 LYS 103 1HZ LYS 103 -5.502 -16.124 -13.886 812 HZ3 LYS 103 2HZ LYS 103 -5.518 -17.703 -13.265 813 H LYS 104 H LYS 104 -4.821 -19.413 -19.724 814 HA LYS 104 HA LYS 104 -3.312 -21.677 -20.819 815 HB2 LYS 104 1HB LYS 104 -6.246 -21.064 -21.257 816 HB3 LYS 104 2HB LYS 104 -5.324 -22.222 -22.209 817 HG2 LYS 104 1HG LYS 104 -4.908 -23.544 -20.202 818 HG3 LYS 104 2HG LYS 104 -5.824 -22.381 -19.245 819 HD2 LYS 104 1HD LYS 104 -7.021 -23.819 -21.598 820 HD3 LYS 104 2HD LYS 104 -7.029 -24.509 -19.976 821 HE2 LYS 104 1HE LYS 104 -9.095 -23.458 -20.113 822 HE3 LYS 104 2HE LYS 104 -8.103 -22.272 -19.271 823 HZ1 LYS 104 3HZ LYS 104 -9.383 -22.106 -21.843 824 HZ2 LYS 104 1HZ LYS 104 -7.767 -21.600 -21.872 825 HZ3 LYS 104 2HZ LYS 104 -8.867 -20.868 -20.810 826 H LYS 105 H LYS 105 -2.892 -21.432 -23.125 827 HA LYS 105 HA LYS 105 -2.140 -18.786 -23.716 828 HB2 LYS 105 1HB LYS 105 -2.223 -21.241 -25.477 829 HB3 LYS 105 2HB LYS 105 -1.559 -19.703 -26.000 830 HG2 LYS 105 1HG LYS 105 0.281 -21.010 -25.343 831 HG3 LYS 105 2HG LYS 105 0.021 -19.859 -24.030 832 HD2 LYS 105 1HD LYS 105 -1.145 -21.568 -22.745 833 HD3 LYS 105 2HD LYS 105 -0.946 -22.719 -24.068 834 HE2 LYS 105 1HE LYS 105 1.476 -22.608 -23.802 835 HE3 LYS 105 2HE LYS 105 1.288 -21.431 -22.501 836 HZ1 LYS 105 3HZ LYS 105 1.634 -23.794 -21.780 837 HZ2 LYS 105 1HZ LYS 105 0.094 -24.146 -22.400 838 HZ3 LYS 105 2HZ LYS 105 0.265 -23.036 -21.130 839 H LYS 106 H LYS 106 -3.207 -17.167 -24.593 840 HA LYS 106 HA LYS 106 -5.888 -17.575 -25.599 841 HB2 LYS 106 1HB LYS 106 -5.969 -15.122 -25.783 842 HB3 LYS 106 2HB LYS 106 -5.469 -15.644 -24.182 843 HG2 LYS 106 1HG LYS 106 -3.190 -15.079 -24.634 844 HG3 LYS 106 2HG LYS 106 -3.556 -14.750 -26.329 845 HD2 LYS 106 1HD LYS 106 -4.973 -12.879 -25.671 846 HD3 LYS 106 2HD LYS 106 -4.668 -13.230 -23.969 847 HE2 LYS 106 1HE LYS 106 -3.286 -11.378 -24.763 848 HE3 LYS 106 2HE LYS 106 -2.301 -12.760 -24.282 849 HZ1 LYS 106 3HZ LYS 106 -1.407 -12.808 -26.287 850 HZ2 LYS 106 1HZ LYS 106 -2.296 -11.430 -26.722 851 HZ3 LYS 106 2HZ LYS 106 -2.928 -12.972 -27.020 852 H VAL 107 H VAL 107 -6.574 -17.332 -27.682 853 HA VAL 107 HA VAL 107 -4.604 -17.726 -29.731 854 HB VAL 107 HB VAL 107 -7.583 -17.261 -29.994 855 HG11 VAL 107 1HG1 VAL 107 -6.555 -18.795 -32.128 856 HG12 VAL 107 2HG1 VAL 107 -7.245 -17.174 -32.186 857 HG13 VAL 107 3HG1 VAL 107 -5.510 -17.384 -31.955 858 HG21 VAL 107 3HG2 VAL 107 -5.947 -19.779 -29.764 859 HG22 VAL 107 1HG2 VAL 107 -7.272 -19.242 -28.730 860 HG23 VAL 107 2HG2 VAL 107 -7.598 -19.758 -30.385 Start of MODEL 7 1 H1 GLY -1 1H GLY -1 2.332 -15.377 -12.379 2 H2 GLY -1 2H GLY -1 3.131 -16.338 -11.232 3 H3 GLY -1 3H GLY -1 2.657 -17.007 -12.716 4 HA2 GLY -1 1HA GLY -1 4.903 -15.230 -12.105 5 HA3 GLY -1 2HA GLY -1 4.863 -16.666 -13.119 6 H GLY 0 H GLY 0 2.671 -16.051 -14.738 7 HA2 GLY 0 2HA GLY 0 3.917 -14.359 -16.656 8 HA3 GLY 0 1HA GLY 0 2.302 -15.038 -16.767 9 H SER 1 H SER 1 3.692 -12.269 -17.086 10 HA SER 1 HA SER 1 2.256 -10.606 -15.230 11 HB2 SER 1 1HB SER 1 3.219 -8.764 -16.735 12 HB3 SER 1 2HB SER 1 4.372 -9.788 -15.877 13 HG SER 1 HG SER 1 4.712 -10.954 -17.764 14 H SER 2 H SER 2 0.424 -12.175 -16.589 15 HA SER 2 HA SER 2 -0.784 -10.703 -18.739 16 HB2 SER 2 1HB SER 2 -2.728 -12.338 -18.156 17 HB3 SER 2 2HB SER 2 -1.244 -12.987 -18.856 18 HG SER 2 HG SER 2 -1.989 -14.169 -17.012 19 H ARG 3 H ARG 3 -0.972 -10.815 -15.302 20 HA ARG 3 HA ARG 3 -1.998 -9.552 -13.742 21 HB2 ARG 3 1HB ARG 3 -2.696 -7.800 -16.100 22 HB3 ARG 3 2HB ARG 3 -3.086 -7.393 -14.434 23 HG2 ARG 3 1HG ARG 3 -0.662 -7.531 -13.898 24 HG3 ARG 3 2HG ARG 3 -0.344 -7.758 -15.618 25 HD2 ARG 3 1HD ARG 3 -1.808 -5.391 -14.468 26 HD3 ARG 3 2HD ARG 3 -0.079 -5.409 -14.807 27 HE ARG 3 HE ARG 3 -1.357 -6.164 -17.148 28 HH11 ARG 3 2HH1 ARG 3 -1.296 -3.382 -15.041 29 HH12 ARG 3 1HH1 ARG 3 -1.561 -2.237 -16.324 30 HH21 ARG 3 2HH2 ARG 3 -1.671 -4.681 -18.856 31 HH22 ARG 3 1HH2 ARG 3 -1.765 -2.974 -18.504 32 H HIS 4 H HIS 4 -3.186 -11.799 -14.620 33 HA HIS 4 HA HIS 4 -5.986 -11.211 -14.053 34 HB2 HIS 4 1HB HIS 4 -5.832 -11.296 -16.522 35 HB3 HIS 4 2HB HIS 4 -5.127 -12.904 -16.419 36 HD1 HIS 4 HD1 HIS 4 -8.234 -11.543 -14.676 37 HD2 HIS 4 HD2 HIS 4 -7.085 -14.525 -17.340 38 HE1 HIS 4 HE1 HIS 4 -10.317 -12.867 -15.153 39 HE2 HIS 4 HE2 HIS 4 -9.559 -14.772 -16.615 40 H GLN 5 H GLN 5 -3.343 -12.659 -13.131 41 HA GLN 5 HA GLN 5 -3.976 -15.371 -12.702 42 HB2 GLN 5 1HB GLN 5 -1.716 -14.635 -12.429 43 HB3 GLN 5 2HB GLN 5 -2.182 -13.437 -11.231 44 HG2 GLN 5 1HG GLN 5 -2.766 -15.191 -9.677 45 HG3 GLN 5 2HG GLN 5 -2.332 -16.416 -10.871 46 HE21 GLN 5 1HE2 GLN 5 -0.335 -17.161 -10.830 47 HE22 GLN 5 2HE2 GLN 5 1.002 -16.429 -10.003 48 H PHE 6 H PHE 6 -3.870 -12.852 -10.202 49 HA PHE 6 HA PHE 6 -6.181 -14.116 -8.889 50 HB2 PHE 6 1HB PHE 6 -3.874 -12.498 -7.894 51 HB3 PHE 6 2HB PHE 6 -5.402 -12.389 -7.033 52 HD1 PHE 6 HD2 PHE 6 -3.776 -15.335 -8.628 53 HD2 PHE 6 HD1 PHE 6 -5.055 -13.446 -5.037 54 HE1 PHE 6 HE2 PHE 6 -3.214 -17.370 -7.366 55 HE2 PHE 6 HE1 PHE 6 -4.497 -15.484 -3.763 56 HZ PHE 6 HZ PHE 6 -3.576 -17.448 -4.930 57 H ASP 7 H ASP 7 -5.727 -11.995 -11.153 58 HA ASP 7 HA ASP 7 -6.592 -10.029 -11.891 59 HB2 ASP 7 1HB ASP 7 -8.772 -11.226 -10.309 60 HB3 ASP 7 2HB ASP 7 -8.915 -9.490 -10.598 61 H LEU 8 H LEU 8 -4.664 -9.766 -10.140 62 HA LEU 8 HA LEU 8 -5.139 -8.466 -7.743 63 HB2 LEU 8 1HB LEU 8 -2.736 -8.193 -9.519 64 HB3 LEU 8 2HB LEU 8 -2.799 -7.958 -7.779 65 HG LEU 8 HG LEU 8 -3.769 -10.473 -7.980 66 HD11 LEU 8 1HD1 LEU 8 -2.291 -9.935 -10.436 67 HD12 LEU 8 2HD1 LEU 8 -1.695 -11.331 -9.540 68 HD13 LEU 8 3HD1 LEU 8 -3.389 -11.257 -10.035 69 HD21 LEU 8 3HD2 LEU 8 -1.988 -9.402 -6.582 70 HD22 LEU 8 1HD2 LEU 8 -1.769 -11.105 -6.987 71 HD23 LEU 8 2HD2 LEU 8 -0.854 -9.867 -7.848 72 H ILE 9 H ILE 9 -5.831 -6.505 -7.265 73 HA ILE 9 HA ILE 9 -5.977 -4.495 -9.359 74 HB ILE 9 HB ILE 9 -7.145 -4.226 -6.580 75 HG12 ILE 9 1HG1 ILE 9 -9.337 -4.788 -7.689 76 HG13 ILE 9 2HG1 ILE 9 -8.419 -5.334 -9.088 77 HG21 ILE 9 1HG2 ILE 9 -8.451 -2.936 -8.839 78 HG22 ILE 9 2HG2 ILE 9 -7.969 -2.266 -7.279 79 HG23 ILE 9 3HG2 ILE 9 -6.787 -2.392 -8.589 80 HD11 ILE 9 3HD1 ILE 9 -8.094 -7.287 -8.180 81 HD12 ILE 9 1HD1 ILE 9 -7.414 -6.561 -6.719 82 HD13 ILE 9 2HD1 ILE 9 -9.162 -6.812 -6.856 83 H MET 10 H MET 10 -3.525 -4.910 -8.777 84 HA MET 10 HA MET 10 -2.736 -2.434 -7.471 85 HB2 MET 10 1HB MET 10 -0.756 -3.874 -6.497 86 HB3 MET 10 2HB MET 10 -2.272 -3.689 -5.627 87 HG2 MET 10 1HG MET 10 -2.982 -5.858 -6.759 88 HG3 MET 10 2HG MET 10 -1.280 -6.051 -7.177 89 HE1 MET 10 3HE MET 10 -2.919 -5.750 -2.903 90 HE2 MET 10 1HE MET 10 -2.399 -4.299 -3.761 91 HE3 MET 10 2HE MET 10 -3.749 -5.262 -4.384 92 H CYS 11 H CYS 11 -1.113 -1.445 -8.389 93 HA CYS 11 HA CYS 11 -0.530 -1.981 -11.014 94 HB2 CYS 11 1HB CYS 11 -0.086 0.195 -10.688 95 HB3 CYS 11 2HB CYS 11 0.251 -0.047 -8.982 96 H LEU 12 H LEU 12 1.218 -2.795 -8.125 97 HA LEU 12 HA LEU 12 2.914 -4.157 -7.608 98 HB2 LEU 12 1HB LEU 12 1.667 -5.552 -9.942 99 HB3 LEU 12 2HB LEU 12 2.923 -6.288 -8.959 100 HG LEU 12 HG LEU 12 0.209 -5.378 -8.006 101 HD11 LEU 12 1HD1 LEU 12 -0.369 -7.609 -7.853 102 HD12 LEU 12 2HD1 LEU 12 0.507 -7.522 -9.380 103 HD13 LEU 12 3HD1 LEU 12 1.306 -8.151 -7.938 104 HD21 LEU 12 3HD2 LEU 12 0.850 -6.338 -5.854 105 HD22 LEU 12 1HD2 LEU 12 2.470 -6.656 -6.474 106 HD23 LEU 12 2HD2 LEU 12 1.904 -4.995 -6.295 107 H LYS 13 H LYS 13 3.863 -2.019 -9.304 108 HA LYS 13 HA LYS 13 5.999 -3.232 -10.838 109 HB2 LYS 13 1HB LYS 13 5.401 -0.420 -9.984 110 HB3 LYS 13 2HB LYS 13 6.934 -0.858 -10.723 111 HG2 LYS 13 1HG LYS 13 5.627 -1.776 -12.645 112 HG3 LYS 13 2HG LYS 13 4.197 -1.028 -11.924 113 HD2 LYS 13 1HD LYS 13 5.402 1.126 -11.918 114 HD3 LYS 13 2HD LYS 13 6.709 0.341 -12.813 115 HE2 LYS 13 1HE LYS 13 3.857 0.380 -13.717 116 HE3 LYS 13 2HE LYS 13 5.047 1.570 -14.178 117 HZ1 LYS 13 3HZ LYS 13 6.413 -0.364 -15.000 118 HZ2 LYS 13 1HZ LYS 13 5.029 0.009 -15.906 119 HZ3 LYS 13 2HZ LYS 13 5.014 -1.307 -14.836 120 H GLN 14 H GLN 14 8.185 -1.839 -10.081 121 HA GLN 14 HA GLN 14 8.900 -3.266 -7.649 122 HB2 GLN 14 1HB GLN 14 10.366 -3.096 -9.704 123 HB3 GLN 14 2HB GLN 14 10.635 -1.413 -9.280 124 HG2 GLN 14 1HG GLN 14 12.481 -2.714 -8.512 125 HG3 GLN 14 2HG GLN 14 11.567 -2.142 -7.118 126 HE21 GLN 14 1HE2 GLN 14 13.051 -4.751 -8.489 127 HE22 GLN 14 2HE2 GLN 14 12.295 -6.020 -7.570 128 HA PRO 15 HA PRO 15 7.727 0.283 -5.160 129 HB2 PRO 15 1HB PRO 15 8.940 -1.329 -3.024 130 HB3 PRO 15 2HB PRO 15 7.306 -0.672 -3.144 131 HG2 PRO 15 1HG PRO 15 7.773 -3.290 -3.446 132 HG3 PRO 15 2HG PRO 15 6.541 -2.453 -4.409 133 HD2 PRO 15 1HD PRO 15 9.300 -3.309 -5.182 134 HD3 PRO 15 2HD PRO 15 7.794 -3.369 -6.123 135 H GLY 16 H GLY 16 8.794 2.031 -4.289 136 HA2 GLY 16 2HA GLY 16 11.738 1.847 -4.306 137 HA3 GLY 16 1HA GLY 16 10.823 3.325 -4.553 138 H VAL 17 H VAL 17 11.688 4.523 -2.951 139 HA VAL 17 HA VAL 17 11.916 3.518 -0.254 140 HB VAL 17 HB VAL 17 13.616 5.059 -1.100 141 HG11 VAL 17 1HG1 VAL 17 12.375 7.576 -0.958 142 HG12 VAL 17 2HG1 VAL 17 13.057 6.784 -2.377 143 HG13 VAL 17 3HG1 VAL 17 11.348 6.576 -1.987 144 HG21 VAL 17 3HG2 VAL 17 13.171 4.997 1.304 145 HG22 VAL 17 1HG2 VAL 17 13.692 6.599 0.785 146 HG23 VAL 17 2HG2 VAL 17 11.988 6.292 1.120 147 H GLN 18 H GLN 18 9.819 5.627 -2.087 148 HA GLN 18 HA GLN 18 8.451 6.875 -0.031 149 HB2 GLN 18 1HB GLN 18 7.294 6.116 -2.709 150 HB3 GLN 18 2HB GLN 18 6.876 7.505 -1.714 151 HG2 GLN 18 1HG GLN 18 8.245 8.573 -3.137 152 HG3 GLN 18 2HG GLN 18 9.489 7.981 -2.059 153 HE21 GLN 18 1HE2 GLN 18 8.552 8.246 -5.202 154 HE22 GLN 18 2HE2 GLN 18 9.555 7.011 -5.905 155 H THR 19 H THR 19 6.982 6.267 1.360 156 HA THR 19 HA THR 19 5.958 3.554 1.332 157 HB THR 19 HB THR 19 5.164 5.603 3.370 158 HG1 THR 19 HG1 THR 19 7.378 5.950 3.202 159 HG21 THR 19 1HG2 THR 19 4.838 2.861 3.112 160 HG22 THR 19 2HG2 THR 19 4.595 3.810 4.578 161 HG23 THR 19 3HG2 THR 19 6.147 3.027 4.282 162 H GLY 20 H GLY 20 3.812 2.984 1.053 163 HA2 GLY 20 2HA GLY 20 2.190 4.754 -0.498 164 HA3 GLY 20 1HA GLY 20 1.726 3.161 0.084 165 H LEU 21 H LEU 21 0.906 6.293 0.183 166 HA LEU 21 HA LEU 21 0.361 6.594 2.963 167 HB2 LEU 21 1HB LEU 21 -0.349 8.223 0.543 168 HB3 LEU 21 2HB LEU 21 -0.996 8.607 2.125 169 HG LEU 21 HG LEU 21 1.911 8.603 1.328 170 HD11 LEU 21 1HD1 LEU 21 1.814 10.913 1.455 171 HD12 LEU 21 2HD1 LEU 21 0.286 10.495 0.676 172 HD13 LEU 21 3HD1 LEU 21 0.318 10.897 2.394 173 HD21 LEU 21 3HD2 LEU 21 2.395 8.284 3.472 174 HD22 LEU 21 1HD2 LEU 21 1.566 9.798 3.838 175 HD23 LEU 21 2HD2 LEU 21 0.686 8.271 3.907 176 H LEU 22 H LEU 22 -1.607 6.875 3.949 177 HA LEU 22 HA LEU 22 -3.843 5.352 2.776 178 HB2 LEU 22 1HB LEU 22 -2.069 4.736 4.924 179 HB3 LEU 22 2HB LEU 22 -3.674 4.982 5.581 180 HG LEU 22 HG LEU 22 -3.186 2.643 5.066 181 HD11 LEU 22 1HD1 LEU 22 -5.494 3.887 4.796 182 HD12 LEU 22 2HD1 LEU 22 -5.269 3.414 3.111 183 HD13 LEU 22 3HD1 LEU 22 -5.308 2.184 4.373 184 HD21 LEU 22 3HD2 LEU 22 -2.131 3.700 2.705 185 HD22 LEU 22 1HD2 LEU 22 -2.271 1.999 3.153 186 HD23 LEU 22 2HD2 LEU 22 -3.555 2.776 2.226 187 H CYS 23 H CYS 23 -5.761 6.319 2.978 188 HA CYS 23 HA CYS 23 -6.123 8.612 4.732 189 HB2 CYS 23 1HB CYS 23 -8.129 9.020 3.632 190 HB3 CYS 23 2HB CYS 23 -7.183 8.274 2.351 191 H GLU 24 H GLU 24 -7.459 8.560 6.560 192 HA GLU 24 HA GLU 24 -7.190 6.345 8.147 193 HB2 GLU 24 1HB GLU 24 -9.228 8.550 8.393 194 HB3 GLU 24 2HB GLU 24 -8.832 7.410 9.673 195 HG2 GLU 24 1HG GLU 24 -6.522 8.202 9.660 196 HG3 GLU 24 2HG GLU 24 -6.929 9.352 8.389 197 H LYS 25 H LYS 25 -9.739 6.975 5.885 198 HA LYS 25 HA LYS 25 -11.710 5.268 6.952 199 HB2 LYS 25 1HB LYS 25 -11.262 6.025 4.068 200 HB3 LYS 25 2HB LYS 25 -12.744 5.370 4.738 201 HG2 LYS 25 1HG LYS 25 -11.509 8.016 5.440 202 HG3 LYS 25 2HG LYS 25 -12.890 7.773 4.378 203 HD2 LYS 25 1HD LYS 25 -12.785 6.973 7.274 204 HD3 LYS 25 2HD LYS 25 -13.505 8.465 6.672 205 HE2 LYS 25 1HE LYS 25 -15.075 7.189 5.344 206 HE3 LYS 25 2HE LYS 25 -14.337 5.684 5.885 207 HZ1 LYS 25 3HZ LYS 25 -16.240 6.002 7.211 208 HZ2 LYS 25 1HZ LYS 25 -15.887 7.638 7.491 209 HZ3 LYS 25 2HZ LYS 25 -14.934 6.426 8.202 210 H CYS 26 H CYS 26 -8.960 4.647 4.838 211 HA CYS 26 HA CYS 26 -9.756 1.832 4.576 212 HB2 CYS 26 1HB CYS 26 -7.374 3.219 3.334 213 HB3 CYS 26 2HB CYS 26 -7.982 1.620 2.942 214 H ASP 27 H ASP 27 -7.805 3.976 6.323 215 HA ASP 27 HA ASP 27 -5.482 2.668 6.823 216 HB2 ASP 27 1HB ASP 27 -6.059 4.946 7.637 217 HB3 ASP 27 2HB ASP 27 -7.041 4.213 8.900 218 H GLY 28 H GLY 28 -4.971 0.815 7.604 219 HA2 GLY 28 2HA GLY 28 -4.988 -0.665 9.593 220 HA3 GLY 28 1HA GLY 28 -6.737 -0.474 9.594 221 H LYS 29 H LYS 29 -6.945 -0.591 6.718 222 HA LYS 29 HA LYS 29 -7.177 -3.418 6.397 223 HB2 LYS 29 1HB LYS 29 -7.456 -1.157 4.409 224 HB3 LYS 29 2HB LYS 29 -7.864 -2.833 4.077 225 HG2 LYS 29 1HG LYS 29 -9.641 -2.799 5.639 226 HG3 LYS 29 2HG LYS 29 -9.134 -1.235 6.277 227 HD2 LYS 29 1HD LYS 29 -11.103 -1.096 4.779 228 HD3 LYS 29 2HD LYS 29 -9.727 -0.147 4.213 229 HE2 LYS 29 1HE LYS 29 -9.184 -1.767 2.565 230 HE3 LYS 29 2HE LYS 29 -10.323 -2.933 3.240 231 HZ1 LYS 29 3HZ LYS 29 -11.013 -1.638 1.168 232 HZ2 LYS 29 1HZ LYS 29 -11.247 -0.319 2.213 233 HZ3 LYS 29 2HZ LYS 29 -12.129 -1.749 2.437 234 H CYS 30 H CYS 30 -5.743 -4.795 5.618 235 HA CYS 30 HA CYS 30 -3.182 -3.938 4.607 236 HB2 CYS 30 1HB CYS 30 -3.135 -5.956 5.843 237 HB3 CYS 30 2HB CYS 30 -4.541 -6.597 5.006 238 HA PRO 31 HA PRO 31 -4.871 -3.067 0.583 239 HB2 PRO 31 1HB PRO 31 -2.392 -3.247 -0.726 240 HB3 PRO 31 2HB PRO 31 -3.117 -1.791 -0.041 241 HG2 PRO 31 1HG PRO 31 -1.059 -3.610 1.118 242 HG3 PRO 31 2HG PRO 31 -1.228 -1.851 1.273 243 HD2 PRO 31 1HD PRO 31 -1.898 -3.484 3.278 244 HD3 PRO 31 2HD PRO 31 -2.853 -2.030 2.923 245 H ILE 32 H ILE 32 -2.606 -5.740 1.012 246 HA ILE 32 HA ILE 32 -3.026 -6.965 -1.472 247 HB ILE 32 HB ILE 32 -2.194 -8.310 1.100 248 HG12 ILE 32 1HG1 ILE 32 -0.824 -6.292 0.267 249 HG13 ILE 32 2HG1 ILE 32 0.041 -7.785 0.611 250 HG21 ILE 32 1HG2 ILE 32 -1.422 -10.107 -0.157 251 HG22 ILE 32 2HG2 ILE 32 -2.964 -9.711 -0.918 252 HG23 ILE 32 3HG2 ILE 32 -1.452 -9.193 -1.664 253 HD11 ILE 32 3HD1 ILE 32 0.603 -8.115 -1.552 254 HD12 ILE 32 1HD1 ILE 32 -0.883 -7.385 -2.169 255 HD13 ILE 32 2HD1 ILE 32 0.433 -6.360 -1.598 256 H CYS 33 H CYS 33 -4.609 -7.582 1.674 257 HA CYS 33 HA CYS 33 -6.384 -9.432 0.234 258 HB2 CYS 33 1HB CYS 33 -6.519 -10.764 2.271 259 HB3 CYS 33 2HB CYS 33 -4.846 -10.562 1.766 260 H ASP 34 H ASP 34 -6.379 -6.549 1.980 261 HA ASP 34 HA ASP 34 -7.996 -5.186 2.780 262 HB2 ASP 34 1HB ASP 34 -9.689 -7.025 1.106 263 HB3 ASP 34 2HB ASP 34 -10.413 -5.734 2.058 264 H SER 35 H SER 35 -7.286 -6.125 4.850 265 HA SER 35 HA SER 35 -9.544 -6.927 6.415 266 HB2 SER 35 1HB SER 35 -8.691 -9.093 5.381 267 HB3 SER 35 2HB SER 35 -7.218 -8.858 6.317 268 HG SER 35 HG SER 35 -9.656 -9.782 7.105 269 H TYR 36 H TYR 36 -9.253 -6.440 8.558 270 HA TYR 36 HA TYR 36 -6.968 -4.775 9.181 271 HB2 TYR 36 1HB TYR 36 -9.439 -5.497 10.768 272 HB3 TYR 36 2HB TYR 36 -8.182 -4.418 11.357 273 HD1 TYR 36 HD1 TYR 36 -10.290 -4.799 8.279 274 HD2 TYR 36 HD2 TYR 36 -8.607 -2.175 11.170 275 HE1 TYR 36 HE1 TYR 36 -11.419 -2.904 7.204 276 HE2 TYR 36 HE2 TYR 36 -9.734 -0.270 10.104 277 HH TYR 36 HH TYR 36 -11.751 -0.702 7.205 278 H VAL 37 H VAL 37 -6.056 -7.310 8.823 279 HA VAL 37 HA VAL 37 -5.704 -8.487 11.471 280 HB VAL 37 HB VAL 37 -6.239 -10.061 9.727 281 HG11 VAL 37 1HG1 VAL 37 -4.385 -10.412 7.934 282 HG12 VAL 37 2HG1 VAL 37 -5.638 -9.190 7.709 283 HG13 VAL 37 3HG1 VAL 37 -4.033 -8.715 8.263 284 HG21 VAL 37 3HG2 VAL 37 -4.956 -11.309 11.090 285 HG22 VAL 37 1HG2 VAL 37 -3.863 -11.317 9.707 286 HG23 VAL 37 2HG2 VAL 37 -3.602 -10.182 11.032 287 H ARG 38 H ARG 38 -3.606 -8.960 12.271 288 HA ARG 38 HA ARG 38 -2.018 -6.967 12.878 289 HB2 ARG 38 1HB ARG 38 -1.014 -9.745 12.264 290 HB3 ARG 38 2HB ARG 38 -0.167 -8.559 13.247 291 HG2 ARG 38 1HG ARG 38 -1.726 -8.699 14.969 292 HG3 ARG 38 2HG ARG 38 -2.934 -9.462 13.931 293 HD2 ARG 38 1HD ARG 38 -1.698 -11.496 13.859 294 HD3 ARG 38 2HD ARG 38 -0.309 -10.747 14.646 295 HE ARG 38 HE ARG 38 -2.338 -10.452 16.446 296 HH11 ARG 38 2HH1 ARG 38 -1.072 -13.193 14.690 297 HH12 ARG 38 1HH1 ARG 38 -1.234 -14.302 16.019 298 HH21 ARG 38 2HH2 ARG 38 -2.583 -11.893 18.208 299 HH22 ARG 38 1HH2 ARG 38 -2.114 -13.561 18.026 300 HA PRO 39 HA PRO 39 0.162 -5.656 9.176 301 HB2 PRO 39 1HB PRO 39 1.437 -3.586 10.321 302 HB3 PRO 39 2HB PRO 39 -0.284 -3.515 9.921 303 HG2 PRO 39 1HG PRO 39 1.027 -4.001 12.560 304 HG3 PRO 39 2HG PRO 39 -0.403 -3.026 12.182 305 HD2 PRO 39 1HD PRO 39 -0.501 -5.571 13.208 306 HD3 PRO 39 2HD PRO 39 -1.798 -4.833 12.247 307 H LYS 40 H LYS 40 2.236 -5.954 8.428 308 HA LYS 40 HA LYS 40 4.173 -7.018 10.377 309 HB2 LYS 40 1HB LYS 40 3.090 -8.806 9.088 310 HB3 LYS 40 2HB LYS 40 3.593 -8.034 7.590 311 HG2 LYS 40 1HG LYS 40 5.042 -9.895 8.100 312 HG3 LYS 40 2HG LYS 40 5.940 -8.381 8.214 313 HD2 LYS 40 1HD LYS 40 5.699 -8.411 10.641 314 HD3 LYS 40 2HD LYS 40 4.782 -9.913 10.537 315 HE2 LYS 40 1HE LYS 40 6.724 -11.031 9.563 316 HE3 LYS 40 2HE LYS 40 7.639 -9.528 9.656 317 HZ1 LYS 40 3HZ LYS 40 6.978 -11.424 11.738 318 HZ2 LYS 40 1HZ LYS 40 6.803 -9.795 12.179 319 HZ3 LYS 40 2HZ LYS 40 8.296 -10.362 11.613 320 H ARG 41 H ARG 41 3.885 -5.655 7.081 321 HA ARG 41 HA ARG 41 6.490 -4.363 7.517 322 HB2 ARG 41 1HB ARG 41 6.585 -6.552 6.159 323 HB3 ARG 41 2HB ARG 41 5.777 -5.646 4.888 324 HG2 ARG 41 1HG ARG 41 8.137 -5.661 4.469 325 HG3 ARG 41 2HG ARG 41 7.643 -4.025 4.913 326 HD2 ARG 41 1HD ARG 41 8.416 -4.418 7.201 327 HD3 ARG 41 2HD ARG 41 8.916 -6.047 6.753 328 HE ARG 41 HE ARG 41 10.200 -4.294 5.018 329 HH11 ARG 41 2HH1 ARG 41 10.139 -4.991 8.455 330 HH12 ARG 41 1HH1 ARG 41 11.788 -4.487 8.714 331 HH21 ARG 41 2HH2 ARG 41 12.369 -3.629 5.365 332 HH22 ARG 41 1HH2 ARG 41 13.048 -3.733 6.961 333 H LYS 42 H LYS 42 6.697 -2.335 6.678 334 HA LYS 42 HA LYS 42 4.348 -0.916 5.992 335 HB2 LYS 42 1HB LYS 42 7.212 -0.055 5.550 336 HB3 LYS 42 2HB LYS 42 5.802 0.992 5.573 337 HG2 LYS 42 1HG LYS 42 5.474 0.105 7.976 338 HG3 LYS 42 2HG LYS 42 7.163 -0.392 7.844 339 HD2 LYS 42 1HD LYS 42 7.166 1.767 8.831 340 HD3 LYS 42 2HD LYS 42 7.682 1.982 7.156 341 HE2 LYS 42 1HE LYS 42 5.344 2.587 6.572 342 HE3 LYS 42 2HE LYS 42 4.930 2.488 8.279 343 HZ1 LYS 42 3HZ LYS 42 6.923 4.349 7.100 344 HZ2 LYS 42 1HZ LYS 42 6.502 4.256 8.742 345 HZ3 LYS 42 2HZ LYS 42 5.354 4.767 7.597 346 H VAL 43 H VAL 43 3.485 -0.327 4.144 347 HA VAL 43 HA VAL 43 4.285 -1.702 1.752 348 HB VAL 43 HB VAL 43 2.036 0.163 2.460 349 HG11 VAL 43 1HG1 VAL 43 2.965 0.389 0.063 350 HG12 VAL 43 2HG1 VAL 43 2.199 -1.177 -0.195 351 HG13 VAL 43 3HG1 VAL 43 1.229 0.208 0.309 352 HG21 VAL 43 3HG2 VAL 43 1.249 -2.336 1.336 353 HG22 VAL 43 1HG2 VAL 43 2.423 -2.624 2.621 354 HG23 VAL 43 2HG2 VAL 43 0.956 -1.705 2.958 355 H ARG 44 H ARG 44 5.589 -0.925 0.227 356 HA ARG 44 HA ARG 44 6.082 1.977 0.134 357 HB2 ARG 44 1HB ARG 44 7.772 -0.343 -0.811 358 HB3 ARG 44 2HB ARG 44 8.136 1.338 -1.170 359 HG2 ARG 44 1HG ARG 44 8.657 1.830 1.038 360 HG3 ARG 44 2HG ARG 44 7.806 0.410 1.653 361 HD2 ARG 44 1HD ARG 44 9.486 -1.050 0.717 362 HD3 ARG 44 2HD ARG 44 10.303 0.320 -0.034 363 HE ARG 44 HE ARG 44 10.339 -0.424 2.790 364 HH11 ARG 44 2HH1 ARG 44 11.245 1.883 0.303 365 HH12 ARG 44 1HH1 ARG 44 12.434 2.669 1.302 366 HH21 ARG 44 2HH2 ARG 44 11.909 0.625 4.092 367 HH22 ARG 44 1HH2 ARG 44 12.802 1.967 3.433 368 H VAL 45 H VAL 45 5.561 3.076 -1.679 369 HA VAL 45 HA VAL 45 4.136 1.666 -3.780 370 HB VAL 45 HB VAL 45 3.838 3.934 -4.802 371 HG11 VAL 45 1HG1 VAL 45 2.879 3.222 -2.076 372 HG12 VAL 45 2HG1 VAL 45 2.453 4.795 -2.748 373 HG13 VAL 45 3HG1 VAL 45 1.990 3.320 -3.594 374 HG21 VAL 45 3HG2 VAL 45 4.284 5.850 -3.151 375 HG22 VAL 45 1HG2 VAL 45 5.420 4.738 -2.386 376 HG23 VAL 45 2HG2 VAL 45 5.646 5.209 -4.071 377 H CYS 46 H CYS 46 4.774 1.612 -5.935 378 HA CYS 46 HA CYS 46 7.576 1.389 -6.358 379 HB2 CYS 46 1HB CYS 46 7.068 0.611 -8.486 380 HB3 CYS 46 2HB CYS 46 5.629 0.168 -7.579 381 H GLU 47 H GLU 47 8.870 2.641 -7.708 382 HA GLU 47 HA GLU 47 8.941 5.320 -7.294 383 HB2 GLU 47 1HB GLU 47 10.779 3.999 -8.254 384 HB3 GLU 47 2HB GLU 47 9.906 3.885 -9.774 385 HG2 GLU 47 1HG GLU 47 11.477 5.555 -10.129 386 HG3 GLU 47 2HG GLU 47 9.977 6.426 -9.818 387 H ASN 48 H ASN 48 7.361 3.706 -10.044 388 HA ASN 48 HA ASN 48 6.702 5.986 -11.515 389 HB2 ASN 48 1HB ASN 48 5.346 3.296 -11.356 390 HB3 ASN 48 2HB ASN 48 4.877 4.543 -12.506 391 HD21 ASN 48 1HD2 ASN 48 5.673 4.174 -14.442 392 HD22 ASN 48 2HD2 ASN 48 7.233 3.510 -14.797 393 H CYS 49 H CYS 49 4.925 4.400 -8.909 394 HA CYS 49 HA CYS 49 2.711 6.272 -9.154 395 HB2 CYS 49 1HB CYS 49 3.226 4.085 -7.156 396 HB3 CYS 49 2HB CYS 49 1.761 5.052 -7.223 397 H SER 50 H SER 50 4.834 7.745 -8.734 398 HA SER 50 HA SER 50 4.299 8.959 -6.193 399 HB2 SER 50 1HB SER 50 5.907 7.244 -5.512 400 HB3 SER 50 2HB SER 50 7.056 7.829 -6.713 401 HG SER 50 HG SER 50 6.099 9.747 -4.972 402 H PHE 51 H PHE 51 6.557 8.904 -8.973 403 HA PHE 51 HA PHE 51 7.157 11.667 -8.634 404 HB2 PHE 51 1HB PHE 51 8.311 11.491 -10.840 405 HB3 PHE 51 2HB PHE 51 8.854 10.339 -9.636 406 HD1 PHE 51 HD2 PHE 51 6.163 10.382 -12.252 407 HD2 PHE 51 HD1 PHE 51 9.478 8.354 -10.529 408 HE1 PHE 51 HE2 PHE 51 5.904 8.573 -13.895 409 HE2 PHE 51 HE1 PHE 51 9.239 6.550 -12.181 410 HZ PHE 51 HZ PHE 51 7.446 6.655 -13.864 411 H GLY 52 H GLY 52 6.365 13.456 -9.568 412 HA2 GLY 52 2HA GLY 52 5.039 14.804 -10.870 413 HA3 GLY 52 1HA GLY 52 4.662 13.407 -11.859 414 H LYS 53 H LYS 53 3.449 11.762 -9.923 415 HA LYS 53 HA LYS 53 1.266 13.176 -8.687 416 HB2 LYS 53 1HB LYS 53 -0.469 12.658 -10.185 417 HB3 LYS 53 2HB LYS 53 0.831 13.220 -11.222 418 HG2 LYS 53 1HG LYS 53 0.067 10.344 -10.739 419 HG3 LYS 53 2HG LYS 53 -0.309 11.291 -12.174 420 HD2 LYS 53 1HD LYS 53 2.468 10.583 -11.221 421 HD3 LYS 53 2HD LYS 53 1.592 9.770 -12.519 422 HE2 LYS 53 1HE LYS 53 2.370 12.684 -12.494 423 HE3 LYS 53 2HE LYS 53 3.231 11.409 -13.354 424 HZ1 LYS 53 3HZ LYS 53 0.663 12.666 -13.967 425 HZ2 LYS 53 1HZ LYS 53 0.845 11.024 -14.361 426 HZ3 LYS 53 2HZ LYS 53 1.912 12.173 -15.009 427 H GLN 54 H GLN 54 -0.511 11.555 -8.072 428 HA GLN 54 HA GLN 54 -1.174 9.695 -6.947 429 HB2 GLN 54 1HB GLN 54 0.843 8.320 -8.729 430 HB3 GLN 54 2HB GLN 54 -0.418 7.517 -7.801 431 HG2 GLN 54 1HG GLN 54 -2.122 8.471 -9.109 432 HG3 GLN 54 2HG GLN 54 -1.003 9.610 -9.855 433 HE21 GLN 54 1HE2 GLN 54 0.761 6.939 -9.740 434 HE22 GLN 54 2HE2 GLN 54 0.350 6.215 -11.251 435 H ALA 55 H ALA 55 0.590 11.203 -5.579 436 HA ALA 55 HA ALA 55 2.356 9.235 -4.284 437 HB1 ALA 55 3HB ALA 55 3.968 10.838 -4.021 438 HB2 ALA 55 1HB ALA 55 3.238 11.353 -5.542 439 HB3 ALA 55 2HB ALA 55 2.804 12.164 -4.036 440 H LYS 56 H LYS 56 0.221 12.003 -3.737 441 HA LYS 56 HA LYS 56 0.367 11.696 -0.878 442 HB2 LYS 56 1HB LYS 56 -1.286 13.519 -2.621 443 HB3 LYS 56 2HB LYS 56 -1.313 13.555 -0.865 444 HG2 LYS 56 1HG LYS 56 1.066 14.105 -0.834 445 HG3 LYS 56 2HG LYS 56 1.097 14.070 -2.599 446 HD2 LYS 56 1HD LYS 56 -0.697 15.887 -1.000 447 HD3 LYS 56 2HD LYS 56 0.908 16.356 -1.566 448 HE2 LYS 56 1HE LYS 56 -1.249 15.348 -3.404 449 HE3 LYS 56 2HE LYS 56 -1.043 17.056 -3.019 450 HZ1 LYS 56 3HZ LYS 56 1.411 15.834 -3.822 451 HZ2 LYS 56 1HZ LYS 56 0.644 17.217 -4.429 452 HZ3 LYS 56 2HZ LYS 56 0.219 15.687 -5.018 453 H ASN 57 H ASN 57 -1.951 10.914 -3.413 454 HA ASN 57 HA ASN 57 -4.146 10.517 -1.723 455 HB2 ASN 57 1HB ASN 57 -5.314 9.720 -3.568 456 HB3 ASN 57 2HB ASN 57 -4.082 10.732 -4.304 457 HD21 ASN 57 1HD2 ASN 57 -2.712 9.863 -5.725 458 HD22 ASN 57 2HD2 ASN 57 -2.689 8.191 -6.169 459 H CYS 58 H CYS 58 -5.081 8.790 -0.811 460 HA CYS 58 HA CYS 58 -3.434 6.786 0.293 461 HB2 CYS 58 1HB CYS 58 -5.273 7.466 1.562 462 HB3 CYS 58 2HB CYS 58 -6.373 7.351 0.199 463 H ILE 59 H ILE 59 -2.840 4.905 -0.478 464 HA ILE 59 HA ILE 59 -3.267 4.214 -3.128 465 HB ILE 59 HB ILE 59 -2.081 2.115 -2.613 466 HG12 ILE 59 1HG1 ILE 59 -2.319 3.103 0.240 467 HG13 ILE 59 2HG1 ILE 59 -3.016 1.626 -0.419 468 HG21 ILE 59 1HG2 ILE 59 -0.213 3.311 -2.749 469 HG22 ILE 59 2HG2 ILE 59 -1.175 4.751 -2.411 470 HG23 ILE 59 3HG2 ILE 59 -0.398 3.880 -1.089 471 HD11 ILE 59 3HD1 ILE 59 -1.209 0.606 0.355 472 HD12 ILE 59 1HD1 ILE 59 -0.331 1.368 -0.970 473 HD13 ILE 59 2HD1 ILE 59 -0.363 2.134 0.628 474 H ILE 60 H ILE 60 -4.968 3.051 -0.277 475 HA ILE 60 HA ILE 60 -6.016 0.749 -1.528 476 HB ILE 60 HB ILE 60 -6.940 2.149 0.976 477 HG12 ILE 60 1HG1 ILE 60 -5.144 -0.238 0.483 478 HG13 ILE 60 2HG1 ILE 60 -4.650 1.333 1.104 479 HG21 ILE 60 1HG2 ILE 60 -8.689 0.779 1.014 480 HG22 ILE 60 2HG2 ILE 60 -8.189 0.064 -0.516 481 HG23 ILE 60 3HG2 ILE 60 -7.593 -0.602 1.003 482 HD11 ILE 60 3HD1 ILE 60 -4.753 -0.216 2.913 483 HD12 ILE 60 1HD1 ILE 60 -6.079 0.932 3.087 484 HD13 ILE 60 2HD1 ILE 60 -6.393 -0.694 2.476 485 H CYS 61 H CYS 61 -7.444 3.992 -1.063 486 HA CYS 61 HA CYS 61 -9.749 3.061 -2.608 487 HB2 CYS 61 1HB CYS 61 -10.690 5.383 -2.187 488 HB3 CYS 61 2HB CYS 61 -10.557 4.320 -0.788 489 H ASN 62 H ASN 62 -6.869 4.921 -2.834 490 HA ASN 62 HA ASN 62 -5.753 5.859 -4.531 491 HB2 ASN 62 1HB ASN 62 -6.284 3.622 -5.539 492 HB3 ASN 62 2HB ASN 62 -7.691 4.357 -6.300 493 HD21 ASN 62 1HD2 ASN 62 -7.454 5.217 -8.197 494 HD22 ASN 62 2HD2 ASN 62 -5.942 5.593 -8.953 495 H LEU 63 H LEU 63 -7.607 7.420 -3.344 496 HA LEU 63 HA LEU 63 -8.345 9.267 -5.422 497 HB2 LEU 63 1HB LEU 63 -10.067 7.334 -5.280 498 HB3 LEU 63 2HB LEU 63 -10.576 8.089 -3.789 499 HG LEU 63 HG LEU 63 -11.954 8.665 -5.791 500 HD11 LEU 63 1HD1 LEU 63 -11.466 10.132 -3.671 501 HD12 LEU 63 2HD1 LEU 63 -10.695 11.189 -4.856 502 HD13 LEU 63 3HD1 LEU 63 -12.401 10.770 -5.027 503 HD21 LEU 63 3HD2 LEU 63 -11.073 9.541 -7.650 504 HD22 LEU 63 1HD2 LEU 63 -10.003 10.616 -6.751 505 HD23 LEU 63 2HD2 LEU 63 -9.537 8.935 -7.027 506 H ASN 64 H ASN 64 -9.287 8.381 -2.090 507 HA ASN 64 HA ASN 64 -9.339 11.103 -1.206 508 HB2 ASN 64 1HB ASN 64 -9.345 8.501 0.340 509 HB3 ASN 64 2HB ASN 64 -9.542 10.087 1.076 510 HD21 ASN 64 1HD2 ASN 64 -11.184 7.467 0.028 511 HD22 ASN 64 2HD2 ASN 64 -12.713 8.196 -0.323 512 H VAL 65 H VAL 65 -7.850 12.174 0.127 513 HA VAL 65 HA VAL 65 -5.154 11.645 -0.497 514 HB VAL 65 HB VAL 65 -5.971 13.917 -0.109 515 HG11 VAL 65 1HG1 VAL 65 -5.828 13.891 2.761 516 HG12 VAL 65 2HG1 VAL 65 -7.094 14.507 1.697 517 HG13 VAL 65 3HG1 VAL 65 -7.081 12.806 2.161 518 HG21 VAL 65 3HG2 VAL 65 -3.527 13.074 0.339 519 HG22 VAL 65 1HG2 VAL 65 -3.998 14.725 0.741 520 HG23 VAL 65 2HG2 VAL 65 -3.914 13.500 2.007 521 H GLY 66 H GLY 66 -3.517 10.699 0.607 522 HA2 GLY 66 2HA GLY 66 -4.326 8.990 2.819 523 HA3 GLY 66 1HA GLY 66 -2.817 8.903 1.933 524 H VAL 67 H VAL 67 -3.524 9.016 4.848 525 HA VAL 67 HA VAL 67 -1.842 11.325 5.554 526 HB VAL 67 HB VAL 67 -2.908 11.194 7.824 527 HG11 VAL 67 1HG1 VAL 67 -5.271 11.851 6.442 528 HG12 VAL 67 2HG1 VAL 67 -4.007 12.944 7.005 529 HG13 VAL 67 3HG1 VAL 67 -3.930 12.269 5.377 530 HG21 VAL 67 3HG2 VAL 67 -3.984 8.820 6.875 531 HG22 VAL 67 1HG2 VAL 67 -4.430 9.653 8.363 532 HG23 VAL 67 2HG2 VAL 67 -5.345 9.941 6.885 533 H ASN 68 H ASN 68 -2.520 7.918 6.200 534 HA ASN 68 HA ASN 68 -0.011 7.763 7.747 535 HB2 ASN 68 1HB ASN 68 -2.400 5.909 7.782 536 HB3 ASN 68 2HB ASN 68 -0.935 5.705 8.736 537 HD21 ASN 68 1HD2 ASN 68 -3.956 6.419 9.193 538 HD22 ASN 68 2HD2 ASN 68 -3.863 7.689 10.367 539 H ASP 69 H ASP 69 0.489 5.113 7.590 540 HA ASP 69 HA ASP 69 0.983 4.728 4.695 541 HB2 ASP 69 1HB ASP 69 2.613 3.688 7.032 542 HB3 ASP 69 2HB ASP 69 2.986 3.461 5.329 543 H ALA 70 H ALA 70 0.720 2.755 3.794 544 HA ALA 70 HA ALA 70 -1.123 0.952 5.089 545 HB1 ALA 70 3HB ALA 70 -0.380 1.479 2.443 546 HB2 ALA 70 1HB ALA 70 0.097 -0.189 2.759 547 HB3 ALA 70 2HB ALA 70 -1.574 0.313 3.015 548 H PHE 71 H PHE 71 -0.733 -1.244 5.566 549 HA PHE 71 HA PHE 71 2.090 -2.032 5.720 550 HB2 PHE 71 1HB PHE 71 0.055 -2.213 7.940 551 HB3 PHE 71 2HB PHE 71 1.494 -3.220 7.905 552 HD1 PHE 71 HD1 PHE 71 0.453 0.355 7.786 553 HD2 PHE 71 HD2 PHE 71 3.430 -2.477 8.897 554 HE1 PHE 71 HE1 PHE 71 1.737 2.141 8.883 555 HE2 PHE 71 HE2 PHE 71 4.716 -0.692 9.999 556 HZ PHE 71 HZ PHE 71 3.873 1.620 9.987 557 H TYR 72 H TYR 72 2.464 -4.024 4.988 558 HA TYR 72 HA TYR 72 0.314 -5.670 3.981 559 HB2 TYR 72 1HB TYR 72 3.243 -6.344 4.376 560 HB3 TYR 72 2HB TYR 72 2.080 -7.298 3.465 561 HD1 TYR 72 HD2 TYR 72 1.044 -6.219 1.386 562 HD2 TYR 72 HD1 TYR 72 4.509 -4.689 3.324 563 HE1 TYR 72 HE2 TYR 72 1.670 -5.041 -0.678 564 HE2 TYR 72 HE1 TYR 72 5.142 -3.501 1.265 565 HH TYR 72 HH TYR 72 3.626 -4.115 -1.752 566 H CYS 73 H CYS 73 -0.751 -7.187 5.145 567 HA CYS 73 HA CYS 73 -0.244 -7.359 7.924 568 HB2 CYS 73 1HB CYS 73 -2.208 -8.613 8.099 569 HB3 CYS 73 2HB CYS 73 -2.501 -7.570 6.713 570 H TRP 74 H TRP 74 0.074 -9.296 9.140 571 HA TRP 74 HA TRP 74 2.454 -10.503 8.700 572 HB2 TRP 74 1HB TRP 74 1.258 -10.532 10.852 573 HB3 TRP 74 2HB TRP 74 0.113 -11.700 10.199 574 HD1 TRP 74 HD1 TRP 74 4.004 -11.621 10.397 575 HE1 TRP 74 HE1 TRP 74 4.791 -13.924 11.227 576 HE3 TRP 74 HE3 TRP 74 -0.553 -13.870 10.928 577 HZ2 TRP 74 HZ2 TRP 74 3.622 -16.379 12.006 578 HZ3 TRP 74 HZ3 TRP 74 -0.636 -16.199 11.717 579 HH2 TRP 74 HH2 TRP 74 1.412 -17.427 12.246 580 H GLU 75 H GLU 75 -0.699 -11.991 7.920 581 HA GLU 75 HA GLU 75 0.471 -14.386 7.025 582 HB2 GLU 75 1HB GLU 75 -1.834 -14.753 5.940 583 HB3 GLU 75 2HB GLU 75 -1.712 -14.684 7.690 584 HG2 GLU 75 1HG GLU 75 -2.525 -12.407 7.683 585 HG3 GLU 75 2HG GLU 75 -2.572 -12.411 5.919 586 H CYS 76 H CYS 76 -0.446 -11.459 5.278 587 HA CYS 76 HA CYS 76 -0.033 -12.527 2.675 588 HB2 CYS 76 1HB CYS 76 0.011 -9.722 3.755 589 HB3 CYS 76 2HB CYS 76 0.475 -10.059 2.091 590 H CYS 77 H CYS 77 2.099 -10.950 5.017 591 HA CYS 77 HA CYS 77 4.401 -10.983 3.334 592 HB2 CYS 77 1HB CYS 77 4.085 -10.754 6.327 593 HB3 CYS 77 2HB CYS 77 5.644 -10.665 5.514 594 HG CYS 77 HG CYS 77 5.058 -8.377 4.069 595 H ARG 78 H ARG 78 3.122 -13.161 5.785 596 HA ARG 78 HA ARG 78 5.251 -14.999 5.837 597 HB2 ARG 78 1HB ARG 78 3.555 -14.935 7.569 598 HB3 ARG 78 2HB ARG 78 2.303 -15.346 6.408 599 HG2 ARG 78 1HG ARG 78 3.199 -17.550 6.133 600 HG3 ARG 78 2HG ARG 78 4.595 -17.153 7.140 601 HD2 ARG 78 1HD ARG 78 3.182 -16.878 9.072 602 HD3 ARG 78 2HD ARG 78 1.733 -17.089 8.090 603 HE ARG 78 HE ARG 78 3.374 -19.138 9.198 604 HH11 ARG 78 2HH1 ARG 78 1.301 -18.369 6.486 605 HH12 ARG 78 1HH1 ARG 78 0.963 -20.031 6.100 606 HH21 ARG 78 2HH2 ARG 78 2.897 -21.330 8.717 607 HH22 ARG 78 1HH2 ARG 78 1.837 -21.701 7.391 608 H LEU 79 H LEU 79 2.312 -14.850 3.861 609 HA LEU 79 HA LEU 79 2.754 -17.293 2.495 610 HB2 LEU 79 1HB LEU 79 0.762 -15.327 2.759 611 HB3 LEU 79 2HB LEU 79 1.158 -15.394 1.068 612 HG LEU 79 HG LEU 79 -0.730 -16.849 1.602 613 HD11 LEU 79 1HD1 LEU 79 1.620 -18.624 1.014 614 HD12 LEU 79 2HD1 LEU 79 -0.040 -18.767 0.433 615 HD13 LEU 79 3HD1 LEU 79 0.993 -17.465 -0.158 616 HD21 LEU 79 3HD2 LEU 79 0.310 -19.012 2.937 617 HD22 LEU 79 1HD2 LEU 79 1.030 -17.642 3.782 618 HD23 LEU 79 2HD2 LEU 79 -0.724 -17.765 3.635 619 H GLY 80 H GLY 80 3.713 -13.976 2.013 620 HA2 GLY 80 2HA GLY 80 5.530 -13.296 0.667 621 HA3 GLY 80 1HA GLY 80 5.394 -14.800 -0.234 622 H LYS 81 H LYS 81 2.895 -12.427 0.545 623 HA LYS 81 HA LYS 81 2.277 -12.198 -2.307 624 HB2 LYS 81 1HB LYS 81 0.751 -11.270 0.134 625 HB3 LYS 81 2HB LYS 81 0.196 -11.111 -1.526 626 HG2 LYS 81 1HG LYS 81 -0.015 -13.468 -1.765 627 HG3 LYS 81 2HG LYS 81 0.809 -13.755 -0.230 628 HD2 LYS 81 1HD LYS 81 -1.022 -12.696 0.968 629 HD3 LYS 81 2HD LYS 81 -1.834 -12.339 -0.556 630 HE2 LYS 81 1HE LYS 81 -1.183 -15.110 0.441 631 HE3 LYS 81 2HE LYS 81 -2.751 -14.324 0.617 632 HZ1 LYS 81 3HZ LYS 81 -1.543 -15.543 -1.717 633 HZ2 LYS 81 1HZ LYS 81 -2.327 -14.069 -2.009 634 HZ3 LYS 81 2HZ LYS 81 -3.181 -15.355 -1.310 635 H ASP 82 H ASP 82 3.384 -10.402 0.459 636 HA ASP 82 HA ASP 82 3.073 -7.797 -0.556 637 HB2 ASP 82 1HB ASP 82 4.633 -7.104 1.196 638 HB3 ASP 82 2HB ASP 82 3.429 -8.218 1.825 639 H LYS 83 H LYS 83 5.629 -10.159 -0.862 640 HA LYS 83 HA LYS 83 7.544 -8.360 -1.926 641 HB2 LYS 83 1HB LYS 83 8.746 -10.488 -2.612 642 HB3 LYS 83 2HB LYS 83 8.417 -10.289 -0.899 643 HG2 LYS 83 1HG LYS 83 7.925 -12.519 -1.321 644 HG3 LYS 83 2HG LYS 83 6.348 -11.734 -1.315 645 HD2 LYS 83 1HD LYS 83 6.438 -13.275 -3.155 646 HD3 LYS 83 2HD LYS 83 6.445 -11.631 -3.793 647 HE2 LYS 83 1HE LYS 83 8.848 -11.745 -4.126 648 HE3 LYS 83 2HE LYS 83 8.891 -13.359 -3.416 649 HZ1 LYS 83 3HZ LYS 83 8.841 -13.087 -5.973 650 HZ2 LYS 83 1HZ LYS 83 7.178 -12.830 -5.757 651 HZ3 LYS 83 2HZ LYS 83 7.886 -14.288 -5.253 652 H ASP 84 H ASP 84 4.749 -9.033 -3.301 653 HA ASP 84 HA ASP 84 5.595 -9.719 -5.964 654 HB2 ASP 84 1HB ASP 84 3.243 -10.042 -4.803 655 HB3 ASP 84 2HB ASP 84 2.957 -8.419 -5.425 656 H GLY 85 H GLY 85 4.210 -6.752 -4.493 657 HA2 GLY 85 2HA GLY 85 6.159 -5.041 -5.246 658 HA3 GLY 85 1HA GLY 85 5.168 -5.135 -6.689 659 H CYS 86 H CYS 86 4.609 -3.074 -6.663 660 HA CYS 86 HA CYS 86 3.683 -1.587 -4.462 661 HB2 CYS 86 1HB CYS 86 4.736 -0.425 -6.180 662 HB3 CYS 86 2HB CYS 86 3.842 -1.263 -7.433 663 HA PRO 87 HA PRO 87 -0.494 -3.113 -4.693 664 HB2 PRO 87 1HB PRO 87 -1.133 -2.740 -2.145 665 HB3 PRO 87 2HB PRO 87 0.035 -3.972 -2.635 666 HG2 PRO 87 1HG PRO 87 0.494 -1.314 -1.389 667 HG3 PRO 87 2HG PRO 87 1.393 -2.827 -1.184 668 HD2 PRO 87 1HD PRO 87 2.096 -0.666 -2.855 669 HD3 PRO 87 2HD PRO 87 2.829 -2.281 -2.847 670 H ARG 88 H ARG 88 -0.137 -0.430 -5.704 671 HA ARG 88 HA ARG 88 -2.185 1.180 -4.459 672 HB2 ARG 88 1HB ARG 88 -0.524 1.417 -6.924 673 HB3 ARG 88 2HB ARG 88 -2.039 2.310 -6.846 674 HG2 ARG 88 1HG ARG 88 -1.202 3.186 -4.611 675 HG3 ARG 88 2HG ARG 88 0.374 2.558 -5.100 676 HD2 ARG 88 1HD ARG 88 0.465 3.988 -6.974 677 HD3 ARG 88 2HD ARG 88 -1.243 4.405 -6.833 678 HE ARG 88 HE ARG 88 0.954 5.554 -5.365 679 HH11 ARG 88 2HH1 ARG 88 -2.508 5.091 -5.541 680 HH12 ARG 88 1HH1 ARG 88 -2.869 6.293 -4.341 681 HH21 ARG 88 2HH2 ARG 88 0.500 7.128 -3.751 682 HH22 ARG 88 1HH2 ARG 88 -1.159 7.435 -3.303 683 H ILE 89 H ILE 89 -4.299 1.031 -4.791 684 HA ILE 89 HA ILE 89 -5.355 -1.138 -6.254 685 HB ILE 89 HB ILE 89 -6.624 1.216 -4.890 686 HG12 ILE 89 1HG1 ILE 89 -5.699 -0.545 -3.470 687 HG13 ILE 89 2HG1 ILE 89 -7.455 -0.531 -3.365 688 HG21 ILE 89 1HG2 ILE 89 -8.769 -0.290 -5.283 689 HG22 ILE 89 2HG2 ILE 89 -8.279 0.964 -6.428 690 HG23 ILE 89 3HG2 ILE 89 -7.885 -0.727 -6.747 691 HD11 ILE 89 3HD1 ILE 89 -7.017 -2.774 -3.513 692 HD12 ILE 89 1HD1 ILE 89 -7.288 -2.370 -5.206 693 HD13 ILE 89 2HD1 ILE 89 -5.645 -2.548 -4.597 694 H LEU 90 H LEU 90 -5.648 -1.324 -8.303 695 HA LEU 90 HA LEU 90 -6.970 0.577 -9.894 696 HB2 LEU 90 1HB LEU 90 -5.052 0.920 -11.544 697 HB3 LEU 90 2HB LEU 90 -5.043 1.864 -10.072 698 HG LEU 90 HG LEU 90 -3.462 -0.070 -9.213 699 HD11 LEU 90 1HD1 LEU 90 -3.594 -0.502 -12.115 700 HD12 LEU 90 2HD1 LEU 90 -1.972 -0.443 -11.419 701 HD13 LEU 90 3HD1 LEU 90 -3.151 -1.610 -10.814 702 HD21 LEU 90 3HD2 LEU 90 -2.329 1.852 -9.126 703 HD22 LEU 90 1HD2 LEU 90 -1.627 1.330 -10.657 704 HD23 LEU 90 2HD2 LEU 90 -3.005 2.433 -10.648 705 H ASN 91 H ASN 91 -4.798 -2.173 -9.831 706 HA ASN 91 HA ASN 91 -4.780 -4.196 -10.848 707 HB2 ASN 91 1HB ASN 91 -7.161 -4.382 -10.250 708 HB3 ASN 91 2HB ASN 91 -7.606 -3.554 -11.731 709 HD21 ASN 91 1HD2 ASN 91 -7.011 -6.486 -10.281 710 HD22 ASN 91 2HD2 ASN 91 -6.900 -7.483 -11.681 711 H LEU 92 H LEU 92 -6.704 -2.202 -13.028 712 HA LEU 92 HA LEU 92 -4.621 -2.542 -15.073 713 HB2 LEU 92 1HB LEU 92 -7.149 -3.537 -15.224 714 HB3 LEU 92 2HB LEU 92 -7.385 -1.951 -15.935 715 HG LEU 92 HG LEU 92 -6.970 -3.669 -17.639 716 HD11 LEU 92 1HD1 LEU 92 -6.290 -1.754 -18.610 717 HD12 LEU 92 2HD1 LEU 92 -5.226 -1.324 -17.270 718 HD13 LEU 92 3HD1 LEU 92 -4.699 -2.500 -18.475 719 HD21 LEU 92 3HD2 LEU 92 -5.167 -4.676 -15.832 720 HD22 LEU 92 1HD2 LEU 92 -5.337 -5.181 -17.514 721 HD23 LEU 92 2HD2 LEU 92 -4.131 -3.971 -17.073 722 H GLY 93 H GLY 93 -7.471 -0.569 -14.277 723 HA2 GLY 93 2HA GLY 93 -7.722 1.674 -13.929 724 HA3 GLY 93 1HA GLY 93 -5.979 1.757 -13.746 725 H SER 94 H SER 94 -4.857 1.413 -16.012 726 HA SER 94 HA SER 94 -6.107 2.403 -18.326 727 HB2 SER 94 1HB SER 94 -6.140 4.488 -16.902 728 HB3 SER 94 2HB SER 94 -4.380 4.441 -16.883 729 HG SER 94 HG SER 94 -5.938 5.539 -18.698 730 H ASN 95 H ASN 95 -3.512 3.975 -18.879 731 HA ASN 95 HA ASN 95 -1.509 3.592 -19.869 732 HB2 ASN 95 1HB ASN 95 -1.394 1.485 -17.710 733 HB3 ASN 95 2HB ASN 95 -0.043 1.823 -18.784 734 HD21 ASN 95 1HD2 ASN 95 1.392 3.165 -18.037 735 HD22 ASN 95 2HD2 ASN 95 1.123 4.399 -16.849 736 H ARG 96 H ARG 96 -3.762 2.399 -21.088 737 HA ARG 96 HA ARG 96 -2.395 0.294 -22.571 738 HB2 ARG 96 1HB ARG 96 -4.427 -1.113 -22.622 739 HB3 ARG 96 2HB ARG 96 -3.726 -0.967 -21.019 740 HG2 ARG 96 1HG ARG 96 -5.947 -0.728 -20.546 741 HG3 ARG 96 2HG ARG 96 -5.482 0.961 -20.762 742 HD2 ARG 96 1HD ARG 96 -7.514 0.607 -21.963 743 HD3 ARG 96 2HD ARG 96 -6.204 0.778 -23.134 744 HE ARG 96 HE ARG 96 -6.664 -1.314 -23.877 745 HH11 ARG 96 2HH1 ARG 96 -8.072 -0.991 -20.667 746 HH12 ARG 96 1HH1 ARG 96 -8.634 -2.633 -20.624 747 HH21 ARG 96 2HH2 ARG 96 -7.435 -3.460 -23.817 748 HH22 ARG 96 1HH2 ARG 96 -8.282 -4.032 -22.406 749 H LEU 97 H LEU 97 -4.752 2.821 -22.405 750 HA LEU 97 HA LEU 97 -5.535 2.683 -25.171 751 HB2 LEU 97 1HB LEU 97 -5.706 4.926 -23.152 752 HB3 LEU 97 2HB LEU 97 -6.374 4.998 -24.771 753 HG LEU 97 HG LEU 97 -7.227 3.045 -22.635 754 HD11 LEU 97 1HD1 LEU 97 -9.335 4.402 -22.687 755 HD12 LEU 97 2HD1 LEU 97 -7.941 5.217 -21.980 756 HD13 LEU 97 3HD1 LEU 97 -8.453 5.611 -23.620 757 HD21 LEU 97 3HD2 LEU 97 -8.076 3.510 -25.471 758 HD22 LEU 97 1HD2 LEU 97 -7.674 1.994 -24.664 759 HD23 LEU 97 2HD2 LEU 97 -9.185 2.820 -24.287 760 H ASP 98 H ASP 98 -4.820 4.048 -26.842 761 HA ASP 98 HA ASP 98 -3.265 5.108 -28.123 762 HB2 ASP 98 1HB ASP 98 -3.593 6.811 -26.141 763 HB3 ASP 98 2HB ASP 98 -1.965 6.309 -25.699 764 H ARG 99 H ARG 99 -2.801 2.558 -27.541 765 HA ARG 99 HA ARG 99 -1.246 0.923 -27.707 766 HB2 ARG 99 1HB ARG 99 0.074 2.331 -29.166 767 HB3 ARG 99 2HB ARG 99 0.734 3.203 -27.789 768 HG2 ARG 99 1HG ARG 99 1.822 1.119 -27.036 769 HG3 ARG 99 2HG ARG 99 1.222 0.316 -28.489 770 HD2 ARG 99 1HD ARG 99 3.536 1.044 -28.769 771 HD3 ARG 99 2HD ARG 99 2.457 1.882 -29.883 772 HE ARG 99 HE ARG 99 2.988 3.856 -28.869 773 HH11 ARG 99 2HH1 ARG 99 4.013 1.233 -26.766 774 HH12 ARG 99 1HH1 ARG 99 4.821 2.294 -25.646 775 HH21 ARG 99 2HH2 ARG 99 3.990 5.234 -27.374 776 HH22 ARG 99 1HH2 ARG 99 4.782 4.576 -25.974 777 H HIS 100 H HIS 100 0.403 3.361 -25.712 778 HA HIS 100 HA HIS 100 -0.121 2.103 -23.237 779 HB2 HIS 100 1HB HIS 100 2.416 1.353 -24.622 780 HB3 HIS 100 2HB HIS 100 2.513 1.716 -22.907 781 HD1 HIS 100 HD1 HIS 100 0.211 0.312 -21.675 782 HD2 HIS 100 HD2 HIS 100 2.312 -1.323 -24.873 783 HE1 HIS 100 HE1 HIS 100 -0.190 -2.164 -21.556 784 HE2 HIS 100 HE2 HIS 100 1.081 -3.141 -23.500 785 H PHE 101 H PHE 101 0.498 3.424 -21.552 786 HA PHE 101 HA PHE 101 1.362 6.089 -22.229 787 HB2 PHE 101 1HB PHE 101 -0.366 5.646 -20.486 788 HB3 PHE 101 2HB PHE 101 0.865 4.862 -19.506 789 HD1 PHE 101 HD1 PHE 101 1.737 7.807 -21.459 790 HD2 PHE 101 HD2 PHE 101 0.424 6.396 -17.667 791 HE1 PHE 101 HE1 PHE 101 2.278 9.989 -20.464 792 HE2 PHE 101 HE2 PHE 101 0.976 8.571 -16.662 793 HZ PHE 101 HZ PHE 101 1.902 10.371 -18.061 794 H GLU 102 H GLU 102 3.395 5.252 -23.138 795 HA GLU 102 HA GLU 102 5.558 5.422 -21.243 796 HB2 GLU 102 1HB GLU 102 4.934 3.053 -21.041 797 HB3 GLU 102 2HB GLU 102 5.042 2.862 -22.783 798 HG2 GLU 102 1HG GLU 102 6.991 1.921 -21.776 799 HG3 GLU 102 2HG GLU 102 7.452 3.376 -22.656 800 H LYS 103 H LYS 103 7.497 5.901 -22.209 801 HA LYS 103 HA LYS 103 8.991 6.604 -23.765 802 HB2 LYS 103 1HB LYS 103 7.142 5.325 -25.785 803 HB3 LYS 103 2HB LYS 103 8.733 5.975 -26.148 804 HG2 LYS 103 1HG LYS 103 8.252 3.739 -24.193 805 HG3 LYS 103 2HG LYS 103 8.627 3.491 -25.899 806 HD2 LYS 103 1HD LYS 103 10.745 4.707 -25.592 807 HD3 LYS 103 2HD LYS 103 10.366 4.911 -23.880 808 HE2 LYS 103 1HE LYS 103 11.889 3.057 -24.160 809 HE3 LYS 103 2HE LYS 103 10.321 2.465 -23.619 810 HZ1 LYS 103 3HZ LYS 103 9.817 1.878 -25.932 811 HZ2 LYS 103 1HZ LYS 103 11.187 1.063 -25.351 812 HZ3 LYS 103 2HZ LYS 103 11.368 2.385 -26.399 813 H LYS 104 H LYS 104 5.725 7.028 -25.120 814 HA LYS 104 HA LYS 104 6.392 9.732 -25.945 815 HB2 LYS 104 1HB LYS 104 5.040 8.400 -27.459 816 HB3 LYS 104 2HB LYS 104 3.845 8.120 -26.201 817 HG2 LYS 104 1HG LYS 104 3.090 10.341 -26.274 818 HG3 LYS 104 2HG LYS 104 4.507 10.879 -27.176 819 HD2 LYS 104 1HD LYS 104 2.471 10.717 -28.573 820 HD3 LYS 104 2HD LYS 104 3.776 9.674 -29.134 821 HE2 LYS 104 1HE LYS 104 1.696 8.468 -29.248 822 HE3 LYS 104 2HE LYS 104 2.700 7.770 -27.980 823 HZ1 LYS 104 3HZ LYS 104 0.713 9.831 -27.298 824 HZ2 LYS 104 1HZ LYS 104 1.333 8.577 -26.341 825 HZ3 LYS 104 2HZ LYS 104 0.201 8.234 -27.555 826 H LYS 105 H LYS 105 6.063 11.454 -24.749 827 HA LYS 105 HA LYS 105 5.445 12.832 -23.061 828 HB2 LYS 105 1HB LYS 105 3.011 11.044 -22.952 829 HB3 LYS 105 2HB LYS 105 3.190 12.527 -22.026 830 HG2 LYS 105 1HG LYS 105 3.370 13.805 -24.103 831 HG3 LYS 105 2HG LYS 105 3.186 12.316 -25.030 832 HD2 LYS 105 1HD LYS 105 1.069 13.485 -24.923 833 HD3 LYS 105 2HD LYS 105 0.970 11.980 -24.008 834 HE2 LYS 105 1HE LYS 105 -0.108 13.724 -22.756 835 HE3 LYS 105 2HE LYS 105 1.382 13.268 -21.933 836 HZ1 LYS 105 3HZ LYS 105 1.983 15.380 -21.993 837 HZ2 LYS 105 1HZ LYS 105 0.597 15.801 -22.875 838 HZ3 LYS 105 2HZ LYS 105 2.012 15.338 -23.687 839 H LYS 106 H LYS 106 3.710 11.449 -20.799 840 HA LYS 106 HA LYS 106 4.081 10.500 -18.770 841 HB2 LYS 106 1HB LYS 106 4.666 8.540 -20.212 842 HB3 LYS 106 2HB LYS 106 6.349 9.036 -20.132 843 HG2 LYS 106 1HG LYS 106 6.349 8.693 -17.721 844 HG3 LYS 106 2HG LYS 106 4.648 8.220 -17.784 845 HD2 LYS 106 1HD LYS 106 5.154 6.291 -19.089 846 HD3 LYS 106 2HD LYS 106 6.819 6.821 -19.333 847 HE2 LYS 106 1HE LYS 106 7.239 6.574 -16.932 848 HE3 LYS 106 2HE LYS 106 5.577 6.024 -16.705 849 HZ1 LYS 106 3HZ LYS 106 7.595 4.361 -17.067 850 HZ2 LYS 106 1HZ LYS 106 7.170 4.603 -18.694 851 HZ3 LYS 106 2HZ LYS 106 6.021 4.011 -17.590 852 H VAL 107 H VAL 107 5.030 12.979 -18.996 853 HA VAL 107 HA VAL 107 7.565 12.897 -17.506 854 HB VAL 107 HB VAL 107 8.188 15.053 -18.493 855 HG11 VAL 107 1HG1 VAL 107 8.006 13.944 -21.034 856 HG12 VAL 107 2HG1 VAL 107 9.314 13.717 -19.873 857 HG13 VAL 107 3HG1 VAL 107 7.986 12.560 -19.942 858 HG21 VAL 107 3HG2 VAL 107 6.822 16.331 -19.720 859 HG22 VAL 107 1HG2 VAL 107 6.302 14.969 -20.711 860 HG23 VAL 107 2HG2 VAL 107 5.526 15.276 -19.158 Start of MODEL 8 1 H1 GLY -1 1H GLY -1 -17.645 -13.581 -25.222 2 H2 GLY -1 2H GLY -1 -16.203 -12.700 -25.061 3 H3 GLY -1 3H GLY -1 -17.430 -12.135 -26.083 4 HA2 GLY -1 1HA GLY -1 -18.871 -12.102 -23.972 5 HA3 GLY -1 2HA GLY -1 -17.320 -12.136 -23.144 6 H GLY 0 H GLY 0 -19.546 -10.059 -23.604 7 HA2 GLY 0 2HA GLY 0 -18.372 -7.979 -25.149 8 HA3 GLY 0 1HA GLY 0 -19.710 -7.802 -24.020 9 H SER 1 H SER 1 -16.821 -6.611 -24.669 10 HA SER 1 HA SER 1 -15.173 -5.530 -23.545 11 HB2 SER 1 1HB SER 1 -17.228 -4.290 -22.776 12 HB3 SER 1 2HB SER 1 -17.225 -5.296 -21.329 13 HG SER 1 HG SER 1 -15.308 -3.384 -22.165 14 H SER 2 H SER 2 -15.510 -5.720 -20.385 15 HA SER 2 HA SER 2 -14.758 -6.942 -18.647 16 HB2 SER 2 1HB SER 2 -14.783 -9.337 -20.487 17 HB3 SER 2 2HB SER 2 -14.816 -9.347 -18.724 18 HG SER 2 HG SER 2 -16.827 -8.327 -20.461 19 H ARG 3 H ARG 3 -13.074 -7.876 -21.650 20 HA ARG 3 HA ARG 3 -10.650 -8.576 -20.363 21 HB2 ARG 3 1HB ARG 3 -11.186 -7.797 -23.228 22 HB3 ARG 3 2HB ARG 3 -9.650 -8.421 -22.646 23 HG2 ARG 3 1HG ARG 3 -10.852 -10.476 -21.905 24 HG3 ARG 3 2HG ARG 3 -12.293 -9.852 -22.708 25 HD2 ARG 3 1HD ARG 3 -11.044 -9.768 -24.828 26 HD3 ARG 3 2HD ARG 3 -9.642 -10.457 -24.010 27 HE ARG 3 HE ARG 3 -11.906 -12.116 -23.636 28 HH11 ARG 3 2HH1 ARG 3 -9.480 -11.234 -26.000 29 HH12 ARG 3 1HH1 ARG 3 -9.669 -12.692 -26.929 30 HH21 ARG 3 2HH2 ARG 3 -12.179 -14.022 -24.862 31 HH22 ARG 3 1HH2 ARG 3 -11.229 -14.266 -26.298 32 H HIS 4 H HIS 4 -11.959 -5.550 -21.443 33 HA HIS 4 HA HIS 4 -9.696 -3.988 -21.760 34 HB2 HIS 4 1HB HIS 4 -12.092 -3.262 -22.112 35 HB3 HIS 4 2HB HIS 4 -12.215 -3.087 -20.358 36 HD1 HIS 4 HD1 HIS 4 -9.642 -1.863 -22.905 37 HD2 HIS 4 HD2 HIS 4 -11.994 -0.475 -19.763 38 HE1 HIS 4 HE1 HIS 4 -9.087 0.580 -22.662 39 HE2 HIS 4 HE2 HIS 4 -10.663 1.431 -20.891 40 H GLN 5 H GLN 5 -11.536 -4.616 -18.805 41 HA GLN 5 HA GLN 5 -9.370 -3.461 -17.226 42 HB2 GLN 5 1HB GLN 5 -10.968 -3.648 -15.321 43 HB3 GLN 5 2HB GLN 5 -11.549 -2.628 -16.629 44 HG2 GLN 5 1HG GLN 5 -13.056 -4.306 -17.376 45 HG3 GLN 5 2HG GLN 5 -12.344 -5.509 -16.304 46 HE21 GLN 5 1HE2 GLN 5 -12.510 -2.526 -14.773 47 HE22 GLN 5 2HE2 GLN 5 -13.977 -2.783 -13.887 48 H PHE 6 H PHE 6 -10.577 -5.193 -15.019 49 HA PHE 6 HA PHE 6 -10.081 -7.030 -13.860 50 HB2 PHE 6 1HB PHE 6 -11.143 -8.102 -15.951 51 HB3 PHE 6 2HB PHE 6 -9.493 -8.555 -16.376 52 HD1 PHE 6 HD2 PHE 6 -10.528 -8.339 -12.876 53 HD2 PHE 6 HD1 PHE 6 -9.997 -10.927 -16.221 54 HE1 PHE 6 HE2 PHE 6 -10.700 -10.295 -11.390 55 HE2 PHE 6 HE1 PHE 6 -10.166 -12.880 -14.737 56 HZ PHE 6 HZ PHE 6 -10.516 -12.568 -12.320 57 H ASP 7 H ASP 7 -8.022 -5.169 -14.995 58 HA ASP 7 HA ASP 7 -5.675 -6.729 -14.133 59 HB2 ASP 7 1HB ASP 7 -5.847 -3.870 -15.151 60 HB3 ASP 7 2HB ASP 7 -4.383 -4.614 -14.519 61 H LEU 8 H LEU 8 -8.133 -6.118 -12.825 62 HA LEU 8 HA LEU 8 -7.882 -3.951 -11.032 63 HB2 LEU 8 1HB LEU 8 -9.715 -6.326 -10.909 64 HB3 LEU 8 2HB LEU 8 -9.926 -4.797 -10.085 65 HG LEU 8 HG LEU 8 -10.600 -5.563 -12.840 66 HD11 LEU 8 1HD1 LEU 8 -12.335 -5.073 -11.370 67 HD12 LEU 8 2HD1 LEU 8 -11.517 -3.631 -10.767 68 HD13 LEU 8 3HD1 LEU 8 -12.195 -3.642 -12.394 69 HD21 LEU 8 3HD2 LEU 8 -8.642 -3.831 -12.989 70 HD22 LEU 8 1HD2 LEU 8 -10.097 -3.614 -13.965 71 HD23 LEU 8 2HD2 LEU 8 -9.883 -2.686 -12.477 72 H ILE 9 H ILE 9 -6.041 -4.179 -9.798 73 HA ILE 9 HA ILE 9 -5.985 -5.698 -7.475 74 HB ILE 9 HB ILE 9 -5.736 -7.388 -9.499 75 HG12 ILE 9 1HG1 ILE 9 -4.692 -8.945 -8.001 76 HG13 ILE 9 2HG1 ILE 9 -3.962 -7.645 -7.065 77 HG21 ILE 9 1HG2 ILE 9 -2.903 -7.355 -9.094 78 HG22 ILE 9 2HG2 ILE 9 -3.829 -7.324 -10.596 79 HG23 ILE 9 3HG2 ILE 9 -3.486 -5.818 -9.740 80 HD11 ILE 9 3HD1 ILE 9 -6.814 -7.323 -7.229 81 HD12 ILE 9 1HD1 ILE 9 -6.384 -8.912 -6.579 82 HD13 ILE 9 2HD1 ILE 9 -5.773 -7.444 -5.806 83 H MET 10 H MET 10 -3.525 -5.839 -6.714 84 HA MET 10 HA MET 10 -2.541 -3.270 -6.581 85 HB2 MET 10 1HB MET 10 -0.339 -5.062 -6.335 86 HB3 MET 10 2HB MET 10 -1.188 -4.179 -5.080 87 HG2 MET 10 1HG MET 10 -2.022 -6.851 -6.175 88 HG3 MET 10 2HG MET 10 -1.097 -6.612 -4.692 89 HE1 MET 10 3HE MET 10 -2.006 -4.742 -2.906 90 HE2 MET 10 1HE MET 10 -2.819 -3.680 -4.055 91 HE3 MET 10 2HE MET 10 -3.719 -4.362 -2.700 92 H CYS 11 H CYS 11 -1.192 -2.084 -7.612 93 HA CYS 11 HA CYS 11 -0.682 -2.220 -10.304 94 HB2 CYS 11 1HB CYS 11 -0.619 -0.157 -9.165 95 HB3 CYS 11 2HB CYS 11 0.564 -0.732 -8.007 96 H LEU 12 H LEU 12 1.333 -3.319 -7.641 97 HA LEU 12 HA LEU 12 3.312 -4.421 -7.528 98 HB2 LEU 12 1HB LEU 12 1.194 -5.827 -8.762 99 HB3 LEU 12 2HB LEU 12 2.703 -6.394 -9.456 100 HG LEU 12 HG LEU 12 3.559 -6.934 -7.264 101 HD11 LEU 12 1HD1 LEU 12 2.767 -6.148 -5.348 102 HD12 LEU 12 2HD1 LEU 12 1.785 -5.057 -6.326 103 HD13 LEU 12 3HD1 LEU 12 1.111 -6.588 -5.762 104 HD21 LEU 12 3HD2 LEU 12 1.543 -8.497 -6.574 105 HD22 LEU 12 1HD2 LEU 12 0.956 -8.003 -8.162 106 HD23 LEU 12 2HD2 LEU 12 2.520 -8.810 -8.010 107 H LYS 13 H LYS 13 3.991 -2.333 -9.138 108 HA LYS 13 HA LYS 13 5.626 -3.512 -11.265 109 HB2 LYS 13 1HB LYS 13 5.425 -0.651 -10.316 110 HB3 LYS 13 2HB LYS 13 6.415 -1.210 -11.652 111 HG2 LYS 13 1HG LYS 13 4.337 -1.951 -12.795 112 HG3 LYS 13 2HG LYS 13 3.422 -1.163 -11.507 113 HD2 LYS 13 1HD LYS 13 4.799 0.904 -12.022 114 HD3 LYS 13 2HD LYS 13 5.252 0.083 -13.516 115 HE2 LYS 13 1HE LYS 13 2.440 0.617 -12.611 116 HE3 LYS 13 2HE LYS 13 3.340 1.582 -13.758 117 HZ1 LYS 13 3HZ LYS 13 2.424 0.256 -15.289 118 HZ2 LYS 13 1HZ LYS 13 1.987 -0.919 -14.149 119 HZ3 LYS 13 2HZ LYS 13 3.554 -0.904 -14.792 120 H GLN 14 H GLN 14 7.742 -1.598 -10.795 121 HA GLN 14 HA GLN 14 9.187 -3.100 -8.773 122 HB2 GLN 14 1HB GLN 14 10.241 -2.609 -10.935 123 HB3 GLN 14 2HB GLN 14 10.076 -0.886 -10.629 124 HG2 GLN 14 1HG GLN 14 12.336 -1.699 -10.226 125 HG3 GLN 14 2HG GLN 14 11.591 -1.024 -8.780 126 HE21 GLN 14 1HE2 GLN 14 12.328 -2.092 -7.102 127 HE22 GLN 14 2HE2 GLN 14 12.447 -3.816 -6.957 128 HA PRO 15 HA PRO 15 7.881 -0.144 -5.690 129 HB2 PRO 15 1HB PRO 15 10.021 -1.506 -4.142 130 HB3 PRO 15 2HB PRO 15 8.329 -1.223 -3.718 131 HG2 PRO 15 1HG PRO 15 9.162 -3.644 -4.440 132 HG3 PRO 15 2HG PRO 15 7.580 -3.033 -4.961 133 HD2 PRO 15 1HD PRO 15 10.130 -3.254 -6.502 134 HD3 PRO 15 2HD PRO 15 8.461 -3.541 -7.036 135 H GLY 16 H GLY 16 8.538 1.830 -5.174 136 HA2 GLY 16 2HA GLY 16 11.230 2.666 -5.920 137 HA3 GLY 16 1HA GLY 16 9.894 3.719 -5.468 138 H VAL 17 H VAL 17 9.967 4.600 -3.536 139 HA VAL 17 HA VAL 17 11.201 3.165 -1.320 140 HB VAL 17 HB VAL 17 13.031 4.492 -2.339 141 HG11 VAL 17 1HG1 VAL 17 11.677 6.990 -1.394 142 HG12 VAL 17 2HG1 VAL 17 13.034 6.804 -2.508 143 HG13 VAL 17 3HG1 VAL 17 11.404 6.369 -3.022 144 HG21 VAL 17 3HG2 VAL 17 13.625 5.753 -0.196 145 HG22 VAL 17 1HG2 VAL 17 12.095 5.141 0.434 146 HG23 VAL 17 2HG2 VAL 17 13.353 4.015 -0.078 147 H GLN 18 H GLN 18 9.142 5.672 -2.564 148 HA GLN 18 HA GLN 18 8.425 6.852 -0.100 149 HB2 GLN 18 1HB GLN 18 7.159 6.811 -2.824 150 HB3 GLN 18 2HB GLN 18 6.365 7.601 -1.469 151 HG2 GLN 18 1HG GLN 18 8.488 8.918 -1.145 152 HG3 GLN 18 2HG GLN 18 9.028 8.259 -2.688 153 HE21 GLN 18 1HE2 GLN 18 8.682 9.496 -4.359 154 HE22 GLN 18 2HE2 GLN 18 7.431 10.689 -4.517 155 H THR 19 H THR 19 7.033 6.328 1.398 156 HA THR 19 HA THR 19 5.968 3.688 1.463 157 HB THR 19 HB THR 19 5.364 5.893 3.433 158 HG1 THR 19 HG1 THR 19 7.527 5.984 3.439 159 HG21 THR 19 1HG2 THR 19 4.207 3.684 3.647 160 HG22 THR 19 2HG2 THR 19 5.205 4.116 5.035 161 HG23 THR 19 3HG2 THR 19 5.789 2.936 3.861 162 H GLY 20 H GLY 20 3.901 3.000 1.196 163 HA2 GLY 20 2HA GLY 20 2.046 4.752 -0.134 164 HA3 GLY 20 1HA GLY 20 1.780 3.063 0.272 165 H LEU 21 H LEU 21 0.724 6.101 0.846 166 HA LEU 21 HA LEU 21 0.100 5.747 3.656 167 HB2 LEU 21 1HB LEU 21 -0.420 7.995 1.724 168 HB3 LEU 21 2HB LEU 21 -0.990 8.001 3.380 169 HG LEU 21 HG LEU 21 1.916 7.855 2.570 170 HD11 LEU 21 1HD1 LEU 21 0.219 10.160 3.496 171 HD12 LEU 21 2HD1 LEU 21 1.980 10.182 3.445 172 HD13 LEU 21 3HD1 LEU 21 1.059 9.997 1.954 173 HD21 LEU 21 3HD2 LEU 21 1.130 6.866 4.808 174 HD22 LEU 21 1HD2 LEU 21 2.454 8.030 4.828 175 HD23 LEU 21 2HD2 LEU 21 0.825 8.539 5.276 176 H LEU 22 H LEU 22 -1.908 5.511 4.514 177 HA LEU 22 HA LEU 22 -4.077 4.777 2.660 178 HB2 LEU 22 1HB LEU 22 -3.736 4.181 5.604 179 HB3 LEU 22 2HB LEU 22 -5.119 3.707 4.636 180 HG LEU 22 HG LEU 22 -2.290 2.721 4.344 181 HD11 LEU 22 1HD1 LEU 22 -3.266 0.571 4.995 182 HD12 LEU 22 2HD1 LEU 22 -3.473 1.788 6.254 183 HD13 LEU 22 3HD1 LEU 22 -4.831 1.352 5.218 184 HD21 LEU 22 3HD2 LEU 22 -3.786 3.041 2.230 185 HD22 LEU 22 1HD2 LEU 22 -2.899 1.537 2.464 186 HD23 LEU 22 2HD2 LEU 22 -4.620 1.613 2.841 187 H CYS 23 H CYS 23 -5.900 5.982 2.625 188 HA CYS 23 HA CYS 23 -6.023 8.437 4.118 189 HB2 CYS 23 1HB CYS 23 -7.981 8.933 2.930 190 HB3 CYS 23 2HB CYS 23 -7.049 7.978 1.783 191 H GLU 24 H GLU 24 -7.675 8.917 5.686 192 HA GLU 24 HA GLU 24 -7.765 7.214 7.810 193 HB2 GLU 24 1HB GLU 24 -9.911 9.221 7.107 194 HB3 GLU 24 2HB GLU 24 -9.549 8.599 8.712 195 HG2 GLU 24 1HG GLU 24 -7.374 9.648 8.669 196 HG3 GLU 24 2HG GLU 24 -7.646 10.199 7.017 197 H LYS 25 H LYS 25 -9.992 7.256 5.089 198 HA LYS 25 HA LYS 25 -11.995 5.643 6.282 199 HB2 LYS 25 1HB LYS 25 -11.430 5.993 3.336 200 HB3 LYS 25 2HB LYS 25 -12.940 5.459 4.063 201 HG2 LYS 25 1HG LYS 25 -11.692 8.188 4.306 202 HG3 LYS 25 2HG LYS 25 -13.131 7.755 3.379 203 HD2 LYS 25 1HD LYS 25 -14.313 7.192 5.412 204 HD3 LYS 25 2HD LYS 25 -12.860 7.489 6.371 205 HE2 LYS 25 1HE LYS 25 -12.890 9.840 5.598 206 HE3 LYS 25 2HE LYS 25 -14.414 9.515 4.770 207 HZ1 LYS 25 3HZ LYS 25 -13.923 9.320 7.691 208 HZ2 LYS 25 1HZ LYS 25 -15.382 8.923 6.924 209 HZ3 LYS 25 2HZ LYS 25 -14.818 10.526 6.906 210 H CYS 26 H CYS 26 -9.218 4.839 4.208 211 HA CYS 26 HA CYS 26 -9.941 2.011 4.297 212 HB2 CYS 26 1HB CYS 26 -7.526 3.257 2.972 213 HB3 CYS 26 2HB CYS 26 -8.153 1.634 2.724 214 H ASP 27 H ASP 27 -8.210 4.270 6.019 215 HA ASP 27 HA ASP 27 -5.858 3.065 6.752 216 HB2 ASP 27 1HB ASP 27 -6.618 5.384 7.346 217 HB3 ASP 27 2HB ASP 27 -7.615 4.676 8.611 218 H GLY 28 H GLY 28 -5.514 1.162 7.528 219 HA2 GLY 28 2HA GLY 28 -5.675 -0.220 9.601 220 HA3 GLY 28 1HA GLY 28 -7.412 0.035 9.492 221 H LYS 29 H LYS 29 -7.398 -0.189 6.574 222 HA LYS 29 HA LYS 29 -7.647 -3.059 6.410 223 HB2 LYS 29 1HB LYS 29 -7.919 -0.946 4.258 224 HB3 LYS 29 2HB LYS 29 -8.362 -2.637 4.088 225 HG2 LYS 29 1HG LYS 29 -10.099 -2.367 5.768 226 HG3 LYS 29 2HG LYS 29 -9.640 -0.674 5.981 227 HD2 LYS 29 1HD LYS 29 -10.227 -0.199 3.671 228 HD3 LYS 29 2HD LYS 29 -10.608 -1.900 3.396 229 HE2 LYS 29 1HE LYS 29 -12.647 -0.651 3.724 230 HE3 LYS 29 2HE LYS 29 -12.399 -1.749 5.080 231 HZ1 LYS 29 3HZ LYS 29 -11.217 0.485 5.966 232 HZ2 LYS 29 1HZ LYS 29 -12.823 0.065 6.285 233 HZ3 LYS 29 2HZ LYS 29 -12.464 1.144 5.027 234 H CYS 30 H CYS 30 -6.113 -4.425 5.731 235 HA CYS 30 HA CYS 30 -3.569 -3.542 4.752 236 HB2 CYS 30 1HB CYS 30 -3.725 -5.635 5.963 237 HB3 CYS 30 2HB CYS 30 -4.916 -6.254 4.827 238 HA PRO 31 HA PRO 31 -5.171 -2.367 0.810 239 HB2 PRO 31 1HB PRO 31 -2.662 -2.598 -0.488 240 HB3 PRO 31 2HB PRO 31 -3.385 -1.141 0.193 241 HG2 PRO 31 1HG PRO 31 -1.364 -2.978 1.361 242 HG3 PRO 31 2HG PRO 31 -1.579 -1.235 1.604 243 HD2 PRO 31 1HD PRO 31 -2.271 -2.999 3.495 244 HD3 PRO 31 2HD PRO 31 -3.240 -1.536 3.202 245 H ILE 32 H ILE 32 -2.911 -5.093 0.876 246 HA ILE 32 HA ILE 32 -3.571 -6.042 -1.679 247 HB ILE 32 HB ILE 32 -2.285 -7.441 0.656 248 HG12 ILE 32 1HG1 ILE 32 -1.331 -5.406 -0.881 249 HG13 ILE 32 2HG1 ILE 32 -0.315 -6.599 -0.079 250 HG21 ILE 32 1HG2 ILE 32 -2.497 -8.390 -2.200 251 HG22 ILE 32 2HG2 ILE 32 -1.566 -9.164 -0.916 252 HG23 ILE 32 3HG2 ILE 32 -3.324 -9.091 -0.810 253 HD11 ILE 32 3HD1 ILE 32 -1.246 -6.662 -2.939 254 HD12 ILE 32 1HD1 ILE 32 0.372 -6.261 -2.368 255 HD13 ILE 32 2HD1 ILE 32 -0.256 -7.897 -2.160 256 H CYS 33 H CYS 33 -4.678 -7.185 1.520 257 HA CYS 33 HA CYS 33 -6.476 -8.998 0.090 258 HB2 CYS 33 1HB CYS 33 -6.448 -10.392 2.068 259 HB3 CYS 33 2HB CYS 33 -4.800 -10.016 1.577 260 H ASP 34 H ASP 34 -6.632 -6.129 1.792 261 HA ASP 34 HA ASP 34 -8.287 -4.907 2.742 262 HB2 ASP 34 1HB ASP 34 -9.443 -5.573 0.579 263 HB3 ASP 34 2HB ASP 34 -10.256 -6.834 1.499 264 H SER 35 H SER 35 -7.361 -5.902 4.709 265 HA SER 35 HA SER 35 -9.453 -7.016 6.351 266 HB2 SER 35 1HB SER 35 -8.491 -9.019 5.222 267 HB3 SER 35 2HB SER 35 -6.909 -8.597 5.873 268 HG SER 35 HG SER 35 -8.924 -9.945 7.037 269 H TYR 36 H TYR 36 -9.146 -6.549 8.495 270 HA TYR 36 HA TYR 36 -6.950 -4.749 9.117 271 HB2 TYR 36 1HB TYR 36 -9.379 -5.627 10.680 272 HB3 TYR 36 2HB TYR 36 -8.142 -4.574 11.352 273 HD1 TYR 36 HD2 TYR 36 -10.190 -4.746 8.211 274 HD2 TYR 36 HD1 TYR 36 -8.668 -2.342 11.374 275 HE1 TYR 36 HE2 TYR 36 -11.363 -2.794 7.287 276 HE2 TYR 36 HE1 TYR 36 -9.845 -0.386 10.463 277 HH TYR 36 HH TYR 36 -11.256 0.364 8.915 278 H VAL 37 H VAL 37 -6.335 -7.564 8.692 279 HA VAL 37 HA VAL 37 -5.736 -8.665 11.289 280 HB VAL 37 HB VAL 37 -6.343 -10.203 9.527 281 HG11 VAL 37 1HG1 VAL 37 -5.365 -10.386 7.472 282 HG12 VAL 37 2HG1 VAL 37 -5.215 -8.653 7.754 283 HG13 VAL 37 3HG1 VAL 37 -3.830 -9.711 8.018 284 HG21 VAL 37 3HG2 VAL 37 -5.062 -11.510 10.835 285 HG22 VAL 37 1HG2 VAL 37 -3.948 -11.463 9.469 286 HG23 VAL 37 2HG2 VAL 37 -3.717 -10.368 10.833 287 H ARG 38 H ARG 38 -3.693 -9.006 12.131 288 HA ARG 38 HA ARG 38 -2.149 -6.949 12.584 289 HB2 ARG 38 1HB ARG 38 -0.959 -9.698 12.227 290 HB3 ARG 38 2HB ARG 38 -0.294 -8.399 13.204 291 HG2 ARG 38 1HG ARG 38 -2.408 -8.504 14.566 292 HG3 ARG 38 2HG ARG 38 -2.789 -9.987 13.681 293 HD2 ARG 38 1HD ARG 38 -1.627 -10.313 15.900 294 HD3 ARG 38 2HD ARG 38 -0.865 -11.089 14.511 295 HE ARG 38 HE ARG 38 0.973 -9.781 14.828 296 HH11 ARG 38 2HH1 ARG 38 -1.665 -8.410 16.678 297 HH12 ARG 38 1HH1 ARG 38 -0.736 -7.063 17.264 298 HH21 ARG 38 2HH2 ARG 38 2.214 -8.031 15.612 299 HH22 ARG 38 1HH2 ARG 38 1.474 -6.846 16.650 300 HA PRO 39 HA PRO 39 0.171 -6.047 8.827 301 HB2 PRO 39 1HB PRO 39 0.959 -3.598 9.594 302 HB3 PRO 39 2HB PRO 39 -0.683 -3.917 9.030 303 HG2 PRO 39 1HG PRO 39 0.326 -3.478 11.786 304 HG3 PRO 39 2HG PRO 39 -1.245 -3.061 11.085 305 HD2 PRO 39 1HD PRO 39 -0.675 -5.287 12.706 306 HD3 PRO 39 2HD PRO 39 -2.147 -5.027 11.752 307 H LYS 40 H LYS 40 2.386 -5.999 8.343 308 HA LYS 40 HA LYS 40 4.260 -6.041 10.605 309 HB2 LYS 40 1HB LYS 40 3.977 -8.159 8.485 310 HB3 LYS 40 2HB LYS 40 5.479 -7.930 9.368 311 HG2 LYS 40 1HG LYS 40 4.273 -8.333 11.476 312 HG3 LYS 40 2HG LYS 40 2.803 -8.646 10.549 313 HD2 LYS 40 1HD LYS 40 3.918 -10.731 11.159 314 HD3 LYS 40 2HD LYS 40 3.916 -10.501 9.410 315 HE2 LYS 40 1HE LYS 40 6.227 -9.650 9.548 316 HE3 LYS 40 2HE LYS 40 6.216 -9.956 11.283 317 HZ1 LYS 40 3HZ LYS 40 6.118 -12.258 10.943 318 HZ2 LYS 40 1HZ LYS 40 7.262 -11.714 9.817 319 HZ3 LYS 40 2HZ LYS 40 5.695 -12.101 9.310 320 H ARG 41 H ARG 41 4.467 -6.575 7.074 321 HA ARG 41 HA ARG 41 6.905 -5.065 6.956 322 HB2 ARG 41 1HB ARG 41 6.461 -7.064 5.535 323 HB3 ARG 41 2HB ARG 41 5.237 -6.141 4.673 324 HG2 ARG 41 1HG ARG 41 7.103 -6.000 3.299 325 HG3 ARG 41 2HG ARG 41 7.123 -4.472 4.181 326 HD2 ARG 41 1HD ARG 41 9.336 -5.189 4.286 327 HD3 ARG 41 2HD ARG 41 8.665 -5.687 5.838 328 HE ARG 41 HE ARG 41 8.412 -7.772 3.926 329 HH11 ARG 41 2HH1 ARG 41 10.683 -6.246 6.111 330 HH12 ARG 41 1HH1 ARG 41 11.820 -7.558 6.057 331 HH21 ARG 41 2HH2 ARG 41 9.914 -9.516 3.868 332 HH22 ARG 41 1HH2 ARG 41 11.366 -9.427 4.817 333 H LYS 42 H LYS 42 7.210 -2.982 6.395 334 HA LYS 42 HA LYS 42 4.965 -1.236 6.166 335 HB2 LYS 42 1HB LYS 42 7.108 -0.530 7.179 336 HB3 LYS 42 2HB LYS 42 7.880 -0.661 5.604 337 HG2 LYS 42 1HG LYS 42 6.432 1.087 4.730 338 HG3 LYS 42 2HG LYS 42 5.610 1.196 6.283 339 HD2 LYS 42 1HD LYS 42 8.551 1.706 5.890 340 HD3 LYS 42 2HD LYS 42 7.317 2.968 5.901 341 HE2 LYS 42 1HE LYS 42 6.649 2.100 8.185 342 HE3 LYS 42 2HE LYS 42 8.127 1.139 8.149 343 HZ1 LYS 42 3HZ LYS 42 7.967 4.095 7.949 344 HZ2 LYS 42 1HZ LYS 42 9.399 3.184 7.876 345 HZ3 LYS 42 2HZ LYS 42 8.481 3.218 9.306 346 H VAL 43 H VAL 43 3.982 -0.422 4.477 347 HA VAL 43 HA VAL 43 4.377 -1.636 1.925 348 HB VAL 43 HB VAL 43 2.425 0.304 3.096 349 HG11 VAL 43 1HG1 VAL 43 1.441 -0.070 0.584 350 HG12 VAL 43 2HG1 VAL 43 2.254 1.388 1.156 351 HG13 VAL 43 3HG1 VAL 43 3.162 0.160 0.278 352 HG21 VAL 43 3HG2 VAL 43 2.517 -2.470 2.617 353 HG22 VAL 43 1HG2 VAL 43 1.181 -1.518 3.268 354 HG23 VAL 43 2HG2 VAL 43 1.299 -1.800 1.532 355 H ARG 44 H ARG 44 5.551 -0.930 0.276 356 HA ARG 44 HA ARG 44 6.049 1.955 0.045 357 HB2 ARG 44 1HB ARG 44 8.020 -0.285 -0.348 358 HB3 ARG 44 2HB ARG 44 8.214 1.247 -1.187 359 HG2 ARG 44 1HG ARG 44 8.244 2.404 0.988 360 HG3 ARG 44 2HG ARG 44 8.136 0.837 1.795 361 HD2 ARG 44 1HD ARG 44 10.244 0.158 0.933 362 HD3 ARG 44 2HD ARG 44 10.317 1.543 -0.154 363 HE ARG 44 HE ARG 44 10.149 2.456 2.511 364 HH11 ARG 44 2HH1 ARG 44 12.371 0.883 0.303 365 HH12 ARG 44 1HH1 ARG 44 13.794 1.462 1.119 366 HH21 ARG 44 2HH2 ARG 44 12.027 3.258 3.564 367 HH22 ARG 44 1HH2 ARG 44 13.597 2.859 2.933 368 H VAL 45 H VAL 45 5.383 2.777 -1.830 369 HA VAL 45 HA VAL 45 4.238 0.960 -3.780 370 HB VAL 45 HB VAL 45 3.507 3.102 -4.929 371 HG11 VAL 45 1HG1 VAL 45 2.476 1.733 -2.723 372 HG12 VAL 45 2HG1 VAL 45 2.273 3.445 -2.352 373 HG13 VAL 45 3HG1 VAL 45 1.599 2.779 -3.842 374 HG21 VAL 45 3HG2 VAL 45 3.790 5.174 -3.949 375 HG22 VAL 45 1HG2 VAL 45 4.112 4.496 -2.354 376 HG23 VAL 45 2HG2 VAL 45 5.343 4.409 -3.613 377 H CYS 46 H CYS 46 4.624 1.208 -6.067 378 HA CYS 46 HA CYS 46 7.385 1.234 -6.715 379 HB2 CYS 46 1HB CYS 46 6.757 0.649 -8.878 380 HB3 CYS 46 2HB CYS 46 5.404 0.041 -7.933 381 H GLU 47 H GLU 47 8.541 2.769 -7.936 382 HA GLU 47 HA GLU 47 8.246 5.388 -7.154 383 HB2 GLU 47 1HB GLU 47 9.859 5.953 -8.909 384 HB3 GLU 47 2HB GLU 47 10.338 4.516 -8.014 385 HG2 GLU 47 1HG GLU 47 9.414 3.134 -9.849 386 HG3 GLU 47 2HG GLU 47 9.086 4.618 -10.745 387 H ASN 48 H ASN 48 6.823 3.793 -9.910 388 HA ASN 48 HA ASN 48 6.017 6.036 -11.403 389 HB2 ASN 48 1HB ASN 48 4.906 3.245 -11.131 390 HB3 ASN 48 2HB ASN 48 4.173 4.431 -12.202 391 HD21 ASN 48 1HD2 ASN 48 6.497 2.058 -11.880 392 HD22 ASN 48 2HD2 ASN 48 7.355 2.332 -13.357 393 H CYS 49 H CYS 49 4.718 4.498 -8.555 394 HA CYS 49 HA CYS 49 2.421 6.331 -8.542 395 HB2 CYS 49 1HB CYS 49 3.013 3.975 -6.744 396 HB3 CYS 49 2HB CYS 49 1.583 4.994 -6.648 397 H SER 50 H SER 50 5.081 7.261 -8.167 398 HA SER 50 HA SER 50 4.717 8.473 -5.539 399 HB2 SER 50 1HB SER 50 7.409 7.457 -6.466 400 HB3 SER 50 2HB SER 50 7.034 8.203 -4.919 401 HG SER 50 HG SER 50 5.381 6.185 -5.173 402 H PHE 51 H PHE 51 6.543 8.532 -8.624 403 HA PHE 51 HA PHE 51 6.934 11.391 -8.267 404 HB2 PHE 51 1HB PHE 51 8.146 11.293 -10.450 405 HB3 PHE 51 2HB PHE 51 8.835 10.297 -9.180 406 HD1 PHE 51 HD2 PHE 51 6.111 9.707 -11.696 407 HD2 PHE 51 HD1 PHE 51 9.853 8.480 -10.084 408 HE1 PHE 51 HE2 PHE 51 6.140 7.789 -13.232 409 HE2 PHE 51 HE1 PHE 51 9.892 6.567 -11.627 410 HZ PHE 51 HZ PHE 51 8.034 6.217 -13.200 411 H GLY 52 H GLY 52 4.633 9.343 -9.723 412 HA2 GLY 52 2HA GLY 52 3.792 11.207 -11.759 413 HA3 GLY 52 1HA GLY 52 2.982 9.712 -11.313 414 H LYS 53 H LYS 53 0.939 10.669 -11.342 415 HA LYS 53 HA LYS 53 0.378 12.939 -9.632 416 HB2 LYS 53 1HB LYS 53 -1.952 12.658 -10.395 417 HB3 LYS 53 2HB LYS 53 -0.821 12.750 -11.737 418 HG2 LYS 53 1HG LYS 53 -0.938 10.363 -12.054 419 HG3 LYS 53 2HG LYS 53 -1.964 10.195 -10.629 420 HD2 LYS 53 1HD LYS 53 -3.309 10.104 -12.644 421 HD3 LYS 53 2HD LYS 53 -3.686 11.562 -11.728 422 HE2 LYS 53 1HE LYS 53 -2.340 12.900 -13.213 423 HE3 LYS 53 2HE LYS 53 -1.796 11.462 -14.072 424 HZ1 LYS 53 3HZ LYS 53 -3.656 12.816 -15.112 425 HZ2 LYS 53 1HZ LYS 53 -4.661 12.167 -13.905 426 HZ3 LYS 53 2HZ LYS 53 -3.887 11.136 -15.008 427 H GLN 54 H GLN 54 1.443 10.758 -8.238 428 HA GLN 54 HA GLN 54 -0.442 10.536 -6.135 429 HB2 GLN 54 1HB GLN 54 -0.649 8.087 -6.085 430 HB3 GLN 54 2HB GLN 54 -1.383 8.764 -7.531 431 HG2 GLN 54 1HG GLN 54 1.409 7.994 -7.891 432 HG3 GLN 54 2HG GLN 54 0.353 6.655 -7.448 433 HE21 GLN 54 1HE2 GLN 54 -1.733 8.581 -8.874 434 HE22 GLN 54 2HE2 GLN 54 -1.592 8.069 -10.521 435 H ALA 55 H ALA 55 0.543 10.034 -4.253 436 HA ALA 55 HA ALA 55 3.008 8.690 -3.951 437 HB1 ALA 55 3HB ALA 55 3.730 10.881 -5.032 438 HB2 ALA 55 1HB ALA 55 3.231 11.663 -3.532 439 HB3 ALA 55 2HB ALA 55 4.517 10.455 -3.513 440 H LYS 56 H LYS 56 1.061 11.361 -2.699 441 HA LYS 56 HA LYS 56 1.290 10.276 0.013 442 HB2 LYS 56 1HB LYS 56 0.121 12.885 -0.966 443 HB3 LYS 56 2HB LYS 56 0.221 12.391 0.717 444 HG2 LYS 56 1HG LYS 56 2.610 12.769 -1.074 445 HG3 LYS 56 2HG LYS 56 1.969 14.007 0.005 446 HD2 LYS 56 1HD LYS 56 3.632 13.092 1.309 447 HD3 LYS 56 2HD LYS 56 2.235 12.148 1.823 448 HE2 LYS 56 1HE LYS 56 4.056 10.640 1.491 449 HE3 LYS 56 2HE LYS 56 2.906 10.397 0.176 450 HZ1 LYS 56 3HZ LYS 56 5.596 11.560 0.104 451 HZ2 LYS 56 1HZ LYS 56 4.449 12.133 -1.005 452 HZ3 LYS 56 2HZ LYS 56 4.857 10.489 -0.978 453 H ASN 57 H ASN 57 -0.915 10.680 -2.629 454 HA ASN 57 HA ASN 57 -3.342 10.434 -1.270 455 HB2 ASN 57 1HB ASN 57 -2.764 9.391 -4.050 456 HB3 ASN 57 2HB ASN 57 -4.344 9.760 -3.378 457 HD21 ASN 57 1HD2 ASN 57 -2.379 10.810 -5.571 458 HD22 ASN 57 2HD2 ASN 57 -2.561 12.526 -5.433 459 H CYS 58 H CYS 58 -4.617 8.768 -0.727 460 HA CYS 58 HA CYS 58 -3.541 6.502 0.386 461 HB2 CYS 58 1HB CYS 58 -5.704 7.366 0.986 462 HB3 CYS 58 2HB CYS 58 -6.325 7.049 -0.624 463 H ILE 59 H ILE 59 -3.011 4.561 -0.266 464 HA ILE 59 HA ILE 59 -2.814 4.045 -3.057 465 HB ILE 59 HB ILE 59 -1.732 1.908 -2.324 466 HG12 ILE 59 1HG1 ILE 59 -2.343 3.066 0.406 467 HG13 ILE 59 2HG1 ILE 59 -2.857 1.507 -0.229 468 HG21 ILE 59 1HG2 ILE 59 0.201 3.039 -2.166 469 HG22 ILE 59 2HG2 ILE 59 -0.815 4.464 -2.394 470 HG23 ILE 59 3HG2 ILE 59 -0.343 3.970 -0.768 471 HD11 ILE 59 3HD1 ILE 59 -0.039 1.581 -0.352 472 HD12 ILE 59 1HD1 ILE 59 -0.520 2.157 1.252 473 HD13 ILE 59 2HD1 ILE 59 -1.070 0.578 0.670 474 H ILE 60 H ILE 60 -5.036 3.003 -0.580 475 HA ILE 60 HA ILE 60 -5.920 0.693 -2.015 476 HB ILE 60 HB ILE 60 -7.160 2.103 0.345 477 HG12 ILE 60 1HG1 ILE 60 -5.500 -0.415 0.085 478 HG13 ILE 60 2HG1 ILE 60 -5.000 1.096 0.836 479 HG21 ILE 60 1HG2 ILE 60 -7.876 -0.695 -0.275 480 HG22 ILE 60 2HG2 ILE 60 -8.854 0.602 0.412 481 HG23 ILE 60 3HG2 ILE 60 -8.565 0.541 -1.326 482 HD11 ILE 60 3HD1 ILE 60 -7.424 0.081 2.028 483 HD12 ILE 60 1HD1 ILE 60 -6.119 -1.103 2.091 484 HD13 ILE 60 2HD1 ILE 60 -5.885 0.505 2.779 485 H CYS 61 H CYS 61 -7.381 3.936 -1.507 486 HA CYS 61 HA CYS 61 -9.338 3.160 -3.539 487 HB2 CYS 61 1HB CYS 61 -10.700 5.057 -2.794 488 HB3 CYS 61 2HB CYS 61 -10.371 3.930 -1.479 489 H ASN 62 H ASN 62 -6.465 4.757 -3.245 490 HA ASN 62 HA ASN 62 -5.197 5.983 -4.684 491 HB2 ASN 62 1HB ASN 62 -7.491 6.022 -6.640 492 HB3 ASN 62 2HB ASN 62 -5.771 6.147 -6.982 493 HD21 ASN 62 1HD2 ASN 62 -8.425 4.133 -6.733 494 HD22 ASN 62 2HD2 ASN 62 -7.611 2.610 -6.892 495 H LEU 63 H LEU 63 -8.478 6.929 -4.334 496 HA LEU 63 HA LEU 63 -8.234 9.498 -5.408 497 HB2 LEU 63 1HB LEU 63 -10.189 7.659 -4.703 498 HB3 LEU 63 2HB LEU 63 -10.527 9.052 -3.702 499 HG LEU 63 HG LEU 63 -11.823 9.268 -5.689 500 HD11 LEU 63 1HD1 LEU 63 -9.421 11.037 -5.548 501 HD12 LEU 63 2HD1 LEU 63 -10.598 11.241 -6.847 502 HD13 LEU 63 3HD1 LEU 63 -11.105 11.400 -5.165 503 HD21 LEU 63 3HD2 LEU 63 -10.163 7.654 -6.889 504 HD22 LEU 63 1HD2 LEU 63 -11.102 8.820 -7.824 505 HD23 LEU 63 2HD2 LEU 63 -9.412 9.153 -7.440 506 H ASN 64 H ASN 64 -9.132 8.575 -2.097 507 HA ASN 64 HA ASN 64 -8.873 11.202 -1.081 508 HB2 ASN 64 1HB ASN 64 -8.966 8.544 0.362 509 HB3 ASN 64 2HB ASN 64 -9.110 10.116 1.145 510 HD21 ASN 64 1HD2 ASN 64 -10.813 7.572 -0.054 511 HD22 ASN 64 2HD2 ASN 64 -12.337 8.349 -0.318 512 H VAL 65 H VAL 65 -7.294 12.092 0.307 513 HA VAL 65 HA VAL 65 -4.625 11.281 -0.310 514 HB VAL 65 HB VAL 65 -5.252 13.652 -0.023 515 HG11 VAL 65 1HG1 VAL 65 -5.044 14.028 2.709 516 HG12 VAL 65 2HG1 VAL 65 -6.501 14.171 1.724 517 HG13 VAL 65 3HG1 VAL 65 -6.123 12.645 2.520 518 HG21 VAL 65 3HG2 VAL 65 -3.112 12.798 1.924 519 HG22 VAL 65 1HG2 VAL 65 -2.899 12.835 0.173 520 HG23 VAL 65 2HG2 VAL 65 -3.224 14.329 1.054 521 H GLY 66 H GLY 66 -3.140 10.214 0.919 522 HA2 GLY 66 2HA GLY 66 -4.206 8.548 2.999 523 HA3 GLY 66 1HA GLY 66 -2.572 8.506 2.358 524 H VAL 67 H VAL 67 -3.669 8.460 5.133 525 HA VAL 67 HA VAL 67 -2.196 10.785 6.173 526 HB VAL 67 HB VAL 67 -3.525 10.545 8.261 527 HG11 VAL 67 1HG1 VAL 67 -5.407 11.714 7.460 528 HG12 VAL 67 2HG1 VAL 67 -4.091 12.095 6.349 529 HG13 VAL 67 3HG1 VAL 67 -5.324 10.923 5.887 530 HG21 VAL 67 3HG2 VAL 67 -5.811 9.213 7.360 531 HG22 VAL 67 1HG2 VAL 67 -4.459 8.164 6.934 532 HG23 VAL 67 2HG2 VAL 67 -4.684 8.677 8.607 533 H ASN 68 H ASN 68 -2.935 7.341 6.828 534 HA ASN 68 HA ASN 68 -0.393 7.254 8.321 535 HB2 ASN 68 1HB ASN 68 -2.905 5.630 8.704 536 HB3 ASN 68 2HB ASN 68 -1.363 5.191 9.432 537 HD21 ASN 68 1HD2 ASN 68 -4.182 6.541 10.103 538 HD22 ASN 68 2HD2 ASN 68 -3.721 7.716 11.298 539 H ASP 69 H ASP 69 1.126 5.870 7.781 540 HA ASP 69 HA ASP 69 1.195 4.785 5.190 541 HB2 ASP 69 1HB ASP 69 2.967 3.904 7.481 542 HB3 ASP 69 2HB ASP 69 3.365 3.969 5.769 543 H ALA 70 H ALA 70 0.764 2.860 4.372 544 HA ALA 70 HA ALA 70 -0.742 0.972 5.919 545 HB1 ALA 70 3HB ALA 70 -0.285 1.531 3.137 546 HB2 ALA 70 1HB ALA 70 -0.115 -0.195 3.463 547 HB3 ALA 70 2HB ALA 70 -1.604 0.644 3.902 548 H PHE 71 H PHE 71 -0.249 -1.226 6.201 549 HA PHE 71 HA PHE 71 2.522 -2.040 5.765 550 HB2 PHE 71 1HB PHE 71 1.041 -2.097 8.376 551 HB3 PHE 71 2HB PHE 71 2.243 -3.327 8.026 552 HD1 PHE 71 HD2 PHE 71 1.950 0.399 7.818 553 HD2 PHE 71 HD1 PHE 71 4.328 -2.966 8.880 554 HE1 PHE 71 HE2 PHE 71 3.719 1.906 8.622 555 HE2 PHE 71 HE1 PHE 71 6.092 -1.462 9.701 556 HZ PHE 71 HZ PHE 71 5.788 0.976 9.571 557 H TYR 72 H TYR 72 2.688 -4.084 5.000 558 HA TYR 72 HA TYR 72 0.339 -5.485 4.171 559 HB2 TYR 72 1HB TYR 72 3.188 -6.498 4.358 560 HB3 TYR 72 2HB TYR 72 1.876 -7.286 3.496 561 HD1 TYR 72 HD1 TYR 72 1.072 -6.383 1.364 562 HD2 TYR 72 HD2 TYR 72 4.328 -4.590 3.437 563 HE1 TYR 72 HE1 TYR 72 1.719 -5.197 -0.689 564 HE2 TYR 72 HE2 TYR 72 4.983 -3.399 1.388 565 HH TYR 72 HH TYR 72 3.774 -4.183 -1.666 566 H CYS 73 H CYS 73 -0.817 -6.962 5.268 567 HA CYS 73 HA CYS 73 -0.318 -7.407 8.004 568 HB2 CYS 73 1HB CYS 73 -2.298 -8.682 8.036 569 HB3 CYS 73 2HB CYS 73 -2.565 -7.458 6.799 570 H TRP 74 H TRP 74 -0.136 -9.518 9.042 571 HA TRP 74 HA TRP 74 2.167 -10.879 8.433 572 HB2 TRP 74 1HB TRP 74 1.031 -10.976 10.611 573 HB3 TRP 74 2HB TRP 74 -0.260 -11.938 9.902 574 HD1 TRP 74 HD1 TRP 74 3.554 -12.492 9.498 575 HE1 TRP 74 HE1 TRP 74 4.111 -14.871 10.320 576 HE3 TRP 74 HE3 TRP 74 -1.074 -13.854 11.182 577 HZ2 TRP 74 HZ2 TRP 74 2.752 -17.033 11.530 578 HZ3 TRP 74 HZ3 TRP 74 -1.362 -16.095 12.155 579 HH2 TRP 74 HH2 TRP 74 0.511 -17.650 12.324 580 H GLU 75 H GLU 75 -1.150 -11.763 7.552 581 HA GLU 75 HA GLU 75 -0.583 -14.214 6.325 582 HB2 GLU 75 1HB GLU 75 -2.779 -12.207 5.834 583 HB3 GLU 75 2HB GLU 75 -2.718 -13.770 5.032 584 HG2 GLU 75 1HG GLU 75 -2.761 -13.407 8.016 585 HG3 GLU 75 2HG GLU 75 -4.191 -13.693 7.027 586 H CYS 76 H CYS 76 -0.752 -10.957 4.882 587 HA CYS 76 HA CYS 76 -0.139 -11.850 2.250 588 HB2 CYS 76 1HB CYS 76 -0.035 -9.132 3.545 589 HB3 CYS 76 2HB CYS 76 0.424 -9.394 1.868 590 H CYS 77 H CYS 77 1.822 -10.691 4.945 591 HA CYS 77 HA CYS 77 4.268 -10.491 3.560 592 HB2 CYS 77 1HB CYS 77 3.761 -11.133 6.473 593 HB3 CYS 77 2HB CYS 77 5.318 -10.671 5.795 594 HG CYS 77 HG CYS 77 2.546 -8.732 6.214 595 H ARG 78 H ARG 78 2.733 -13.170 5.283 596 HA ARG 78 HA ARG 78 4.832 -15.025 4.983 597 HB2 ARG 78 1HB ARG 78 3.042 -15.391 6.582 598 HB3 ARG 78 2HB ARG 78 1.856 -15.463 5.288 599 HG2 ARG 78 1HG ARG 78 2.533 -17.671 6.279 600 HG3 ARG 78 2HG ARG 78 2.665 -17.545 4.524 601 HD2 ARG 78 1HD ARG 78 5.007 -17.318 4.619 602 HD3 ARG 78 2HD ARG 78 4.991 -17.044 6.362 603 HE ARG 78 HE ARG 78 3.919 -19.554 6.003 604 HH11 ARG 78 2HH1 ARG 78 6.923 -17.964 5.183 605 HH12 ARG 78 1HH1 ARG 78 7.890 -19.397 5.340 606 HH21 ARG 78 2HH2 ARG 78 5.193 -21.455 6.247 607 HH22 ARG 78 1HH2 ARG 78 6.905 -21.386 5.931 608 H LEU 79 H LEU 79 2.027 -14.280 2.959 609 HA LEU 79 HA LEU 79 2.556 -16.320 1.047 610 HB2 LEU 79 1HB LEU 79 0.968 -13.773 0.746 611 HB3 LEU 79 2HB LEU 79 0.932 -15.132 -0.360 612 HG LEU 79 HG LEU 79 -0.046 -15.101 2.493 613 HD11 LEU 79 1HD1 LEU 79 -1.591 -15.626 -0.030 614 HD12 LEU 79 2HD1 LEU 79 -2.217 -15.348 1.595 615 HD13 LEU 79 3HD1 LEU 79 -1.455 -14.029 0.704 616 HD21 LEU 79 3HD2 LEU 79 0.285 -17.363 0.543 617 HD22 LEU 79 1HD2 LEU 79 0.890 -17.240 2.198 618 HD23 LEU 79 2HD2 LEU 79 -0.841 -17.433 1.899 619 H GLY 80 H GLY 80 3.570 -12.989 1.418 620 HA2 GLY 80 2HA GLY 80 5.728 -12.364 0.571 621 HA3 GLY 80 1HA GLY 80 5.457 -13.426 -0.800 622 H LYS 81 H LYS 81 2.830 -11.436 0.188 623 HA LYS 81 HA LYS 81 2.671 -10.105 -2.275 624 HB2 LYS 81 1HB LYS 81 1.312 -9.865 0.370 625 HB3 LYS 81 2HB LYS 81 1.036 -8.640 -0.857 626 HG2 LYS 81 1HG LYS 81 -0.703 -10.262 -0.967 627 HG3 LYS 81 2HG LYS 81 0.304 -10.401 -2.398 628 HD2 LYS 81 1HD LYS 81 1.006 -12.153 -0.140 629 HD3 LYS 81 2HD LYS 81 -0.521 -12.500 -0.951 630 HE2 LYS 81 1HE LYS 81 2.205 -12.319 -2.229 631 HE3 LYS 81 2HE LYS 81 1.262 -13.785 -1.970 632 HZ1 LYS 81 3HZ LYS 81 -0.366 -12.045 -3.384 633 HZ2 LYS 81 1HZ LYS 81 0.378 -13.457 -3.957 634 HZ3 LYS 81 2HZ LYS 81 1.159 -11.959 -4.128 635 H ASP 82 H ASP 82 4.321 -9.362 0.666 636 HA ASP 82 HA ASP 82 4.571 -6.561 0.290 637 HB2 ASP 82 1HB ASP 82 6.400 -6.688 1.929 638 HB3 ASP 82 2HB ASP 82 4.973 -7.551 2.480 639 H LYS 83 H LYS 83 6.591 -9.323 -0.615 640 HA LYS 83 HA LYS 83 8.500 -7.601 -1.950 641 HB2 LYS 83 1HB LYS 83 9.673 -9.669 -2.543 642 HB3 LYS 83 2HB LYS 83 9.323 -9.602 -0.823 643 HG2 LYS 83 1HG LYS 83 7.431 -11.112 -1.152 644 HG3 LYS 83 2HG LYS 83 7.792 -11.180 -2.877 645 HD2 LYS 83 1HD LYS 83 8.690 -13.134 -1.753 646 HD3 LYS 83 2HD LYS 83 10.004 -12.123 -2.362 647 HE2 LYS 83 1HE LYS 83 10.316 -11.179 -0.132 648 HE3 LYS 83 2HE LYS 83 8.989 -12.167 0.479 649 HZ1 LYS 83 3HZ LYS 83 11.176 -13.115 0.968 650 HZ2 LYS 83 1HZ LYS 83 11.499 -13.234 -0.695 651 HZ3 LYS 83 2HZ LYS 83 10.246 -14.145 -0.009 652 H ASP 84 H ASP 84 5.519 -8.873 -2.708 653 HA ASP 84 HA ASP 84 5.783 -9.574 -5.425 654 HB2 ASP 84 1HB ASP 84 3.565 -8.829 -3.625 655 HB3 ASP 84 2HB ASP 84 3.286 -8.477 -5.325 656 H GLY 85 H GLY 85 4.976 -6.482 -3.865 657 HA2 GLY 85 2HA GLY 85 6.569 -4.802 -5.069 658 HA3 GLY 85 1HA GLY 85 5.474 -5.113 -6.403 659 H CYS 86 H CYS 86 4.598 -3.219 -6.635 660 HA CYS 86 HA CYS 86 3.869 -1.419 -4.602 661 HB2 CYS 86 1HB CYS 86 4.484 -0.879 -6.950 662 HB3 CYS 86 2HB CYS 86 2.960 -1.568 -7.479 663 HA PRO 87 HA PRO 87 -0.113 -3.309 -3.720 664 HB2 PRO 87 1HB PRO 87 -0.511 -2.158 -1.361 665 HB3 PRO 87 2HB PRO 87 0.748 -3.383 -1.571 666 HG2 PRO 87 1HG PRO 87 1.003 -0.408 -1.442 667 HG3 PRO 87 2HG PRO 87 2.039 -1.655 -0.729 668 HD2 PRO 87 1HD PRO 87 2.558 -0.313 -3.101 669 HD3 PRO 87 2HD PRO 87 3.274 -1.865 -2.625 670 H ARG 88 H ARG 88 0.259 -0.700 -5.290 671 HA ARG 88 HA ARG 88 -1.895 0.990 -4.431 672 HB2 ARG 88 1HB ARG 88 0.150 1.006 -6.493 673 HB3 ARG 88 2HB ARG 88 -1.412 1.506 -7.129 674 HG2 ARG 88 1HG ARG 88 -0.430 2.699 -4.581 675 HG3 ARG 88 2HG ARG 88 0.231 3.258 -6.120 676 HD2 ARG 88 1HD ARG 88 -1.949 3.857 -6.911 677 HD3 ARG 88 2HD ARG 88 -2.710 3.105 -5.513 678 HE ARG 88 HE ARG 88 -1.258 4.948 -4.306 679 HH11 ARG 88 2HH1 ARG 88 -3.037 5.250 -7.295 680 HH12 ARG 88 1HH1 ARG 88 -3.599 6.855 -6.950 681 HH21 ARG 88 2HH2 ARG 88 -2.024 7.068 -3.826 682 HH22 ARG 88 1HH2 ARG 88 -3.020 7.887 -4.995 683 H ILE 89 H ILE 89 -3.983 0.665 -4.777 684 HA ILE 89 HA ILE 89 -4.791 -1.740 -6.047 685 HB ILE 89 HB ILE 89 -6.357 0.479 -4.743 686 HG12 ILE 89 1HG1 ILE 89 -4.927 -0.981 -3.316 687 HG13 ILE 89 2HG1 ILE 89 -6.644 -1.107 -2.941 688 HG21 ILE 89 1HG2 ILE 89 -8.215 -0.270 -5.691 689 HG22 ILE 89 2HG2 ILE 89 -7.329 -1.554 -6.515 690 HG23 ILE 89 3HG2 ILE 89 -7.957 -1.819 -4.888 691 HD11 ILE 89 3HD1 ILE 89 -4.801 -3.100 -4.107 692 HD12 ILE 89 1HD1 ILE 89 -6.119 -3.307 -2.951 693 HD13 ILE 89 2HD1 ILE 89 -6.472 -3.112 -4.668 694 H LEU 90 H LEU 90 -4.906 -1.965 -8.156 695 HA LEU 90 HA LEU 90 -5.902 0.171 -9.876 696 HB2 LEU 90 1HB LEU 90 -5.242 -2.692 -10.600 697 HB3 LEU 90 2HB LEU 90 -5.547 -1.374 -11.715 698 HG LEU 90 HG LEU 90 -3.179 -1.584 -9.853 699 HD11 LEU 90 1HD1 LEU 90 -3.097 -3.180 -11.700 700 HD12 LEU 90 2HD1 LEU 90 -3.367 -1.867 -12.846 701 HD13 LEU 90 3HD1 LEU 90 -1.888 -1.910 -11.890 702 HD21 LEU 90 3HD2 LEU 90 -2.400 0.324 -11.423 703 HD22 LEU 90 1HD2 LEU 90 -4.124 0.547 -11.723 704 HD23 LEU 90 2HD2 LEU 90 -3.488 0.699 -10.085 705 H ASN 91 H ASN 91 -6.883 -2.684 -8.210 706 HA ASN 91 HA ASN 91 -9.389 -3.186 -9.426 707 HB2 ASN 91 1HB ASN 91 -7.988 -4.577 -7.712 708 HB3 ASN 91 2HB ASN 91 -8.827 -3.625 -6.495 709 HD21 ASN 91 1HD2 ASN 91 -8.890 -6.412 -8.286 710 HD22 ASN 91 2HD2 ASN 91 -10.561 -6.823 -8.123 711 H LEU 92 H LEU 92 -10.841 -3.044 -6.751 712 HA LEU 92 HA LEU 92 -11.136 -0.264 -6.140 713 HB2 LEU 92 1HB LEU 92 -13.402 0.045 -6.893 714 HB3 LEU 92 2HB LEU 92 -12.389 -0.378 -8.249 715 HG LEU 92 HG LEU 92 -14.051 -2.476 -6.883 716 HD11 LEU 92 1HD1 LEU 92 -15.200 -0.245 -7.840 717 HD12 LEU 92 2HD1 LEU 92 -15.089 -1.193 -9.322 718 HD13 LEU 92 3HD1 LEU 92 -15.949 -1.842 -7.924 719 HD21 LEU 92 3HD2 LEU 92 -12.891 -2.150 -9.646 720 HD22 LEU 92 1HD2 LEU 92 -12.396 -3.309 -8.411 721 HD23 LEU 92 2HD2 LEU 92 -13.983 -3.449 -9.167 722 H GLY 93 H GLY 93 -14.066 -0.991 -5.340 723 HA2 GLY 93 2HA GLY 93 -13.484 -1.728 -2.696 724 HA3 GLY 93 1HA GLY 93 -15.080 -1.749 -3.431 725 H SER 94 H SER 94 -14.958 -3.683 -5.296 726 HA SER 94 HA SER 94 -13.704 -6.068 -4.241 727 HB2 SER 94 1HB SER 94 -16.728 -5.858 -4.355 728 HB3 SER 94 2HB SER 94 -15.810 -7.313 -3.974 729 HG SER 94 HG SER 94 -14.941 -5.409 -2.365 730 H ASN 95 H ASN 95 -13.053 -7.226 -5.917 731 HA ASN 95 HA ASN 95 -14.572 -8.037 -8.099 732 HB2 ASN 95 1HB ASN 95 -14.261 -5.512 -8.625 733 HB3 ASN 95 2HB ASN 95 -12.594 -5.940 -8.993 734 HD21 ASN 95 1HD2 ASN 95 -15.572 -5.483 -10.272 735 HD22 ASN 95 2HD2 ASN 95 -15.409 -6.395 -11.740 736 H ARG 96 H ARG 96 -12.990 -9.375 -6.426 737 HA ARG 96 HA ARG 96 -10.967 -10.490 -8.127 738 HB2 ARG 96 1HB ARG 96 -9.206 -10.146 -6.211 739 HB3 ARG 96 2HB ARG 96 -9.461 -8.896 -7.420 740 HG2 ARG 96 1HG ARG 96 -9.357 -7.763 -5.374 741 HG3 ARG 96 2HG ARG 96 -11.074 -7.834 -5.769 742 HD2 ARG 96 1HD ARG 96 -10.948 -8.385 -3.497 743 HD3 ARG 96 2HD ARG 96 -11.157 -9.922 -4.340 744 HE ARG 96 HE ARG 96 -9.076 -10.569 -3.631 745 HH11 ARG 96 2HH1 ARG 96 -9.465 -7.135 -3.043 746 HH12 ARG 96 1HH1 ARG 96 -7.917 -6.962 -2.276 747 HH21 ARG 96 2HH2 ARG 96 -7.042 -10.353 -2.611 748 HH22 ARG 96 1HH2 ARG 96 -6.530 -8.789 -2.045 749 H LEU 97 H LEU 97 -9.557 -11.468 -5.607 750 HA LEU 97 HA LEU 97 -9.620 -13.233 -4.192 751 HB2 LEU 97 1HB LEU 97 -12.593 -12.727 -4.262 752 HB3 LEU 97 2HB LEU 97 -11.854 -13.975 -3.276 753 HG LEU 97 HG LEU 97 -11.262 -11.022 -3.031 754 HD11 LEU 97 1HD1 LEU 97 -13.602 -11.885 -2.391 755 HD12 LEU 97 2HD1 LEU 97 -12.776 -12.668 -1.045 756 HD13 LEU 97 3HD1 LEU 97 -12.708 -10.915 -1.221 757 HD21 LEU 97 3HD2 LEU 97 -10.313 -11.836 -0.812 758 HD22 LEU 97 1HD2 LEU 97 -10.356 -13.454 -1.514 759 HD23 LEU 97 2HD2 LEU 97 -9.376 -12.193 -2.262 760 H ASP 98 H ASP 98 -9.641 -13.549 -7.071 761 HA ASP 98 HA ASP 98 -11.183 -15.946 -7.597 762 HB2 ASP 98 1HB ASP 98 -10.408 -14.189 -9.344 763 HB3 ASP 98 2HB ASP 98 -8.852 -15.008 -9.254 764 H ARG 99 H ARG 99 -10.524 -17.977 -7.255 765 HA ARG 99 HA ARG 99 -7.927 -18.326 -5.961 766 HB2 ARG 99 1HB ARG 99 -10.282 -20.206 -6.182 767 HB3 ARG 99 2HB ARG 99 -8.800 -20.548 -5.303 768 HG2 ARG 99 1HG ARG 99 -10.728 -18.316 -4.683 769 HG3 ARG 99 2HG ARG 99 -10.614 -19.847 -3.817 770 HD2 ARG 99 1HD ARG 99 -9.423 -18.280 -2.513 771 HD3 ARG 99 2HD ARG 99 -8.198 -19.243 -3.337 772 HE ARG 99 HE ARG 99 -8.793 -16.950 -4.866 773 HH11 ARG 99 2HH1 ARG 99 -7.185 -17.876 -1.892 774 HH12 ARG 99 1HH1 ARG 99 -6.043 -16.563 -1.955 775 HH21 ARG 99 2HH2 ARG 99 -7.304 -15.229 -4.948 776 HH22 ARG 99 1HH2 ARG 99 -6.121 -15.045 -3.688 777 H HIS 100 H HIS 100 -9.460 -18.906 -8.951 778 HA HIS 100 HA HIS 100 -7.139 -20.506 -9.772 779 HB2 HIS 100 1HB HIS 100 -8.562 -21.714 -11.409 780 HB3 HIS 100 2HB HIS 100 -8.987 -22.057 -9.740 781 HD1 HIS 100 HD1 HIS 100 -11.231 -20.854 -8.859 782 HD2 HIS 100 HD2 HIS 100 -10.614 -20.832 -12.972 783 HE1 HIS 100 HE1 HIS 100 -13.456 -20.266 -9.876 784 HE2 HIS 100 HE2 HIS 100 -13.104 -20.464 -12.366 785 H PHE 101 H PHE 101 -7.031 -17.846 -9.906 786 HA PHE 101 HA PHE 101 -7.993 -16.725 -12.323 787 HB2 PHE 101 1HB PHE 101 -7.277 -15.313 -10.447 788 HB3 PHE 101 2HB PHE 101 -5.624 -15.894 -10.628 789 HD1 PHE 101 HD2 PHE 101 -8.093 -14.794 -13.200 790 HD2 PHE 101 HD1 PHE 101 -4.368 -14.073 -11.277 791 HE1 PHE 101 HE2 PHE 101 -7.636 -12.964 -14.780 792 HE2 PHE 101 HE1 PHE 101 -3.903 -12.243 -12.852 793 HZ PHE 101 HZ PHE 101 -5.540 -11.684 -14.603 794 H GLU 102 H GLU 102 -7.425 -17.282 -14.278 795 HA GLU 102 HA GLU 102 -4.728 -17.528 -15.144 796 HB2 GLU 102 1HB GLU 102 -5.490 -19.802 -13.952 797 HB3 GLU 102 2HB GLU 102 -6.230 -20.085 -15.520 798 HG2 GLU 102 1HG GLU 102 -3.319 -19.432 -15.140 799 HG3 GLU 102 2HG GLU 102 -3.958 -21.069 -15.220 800 H LYS 103 H LYS 103 -6.217 -15.799 -16.132 801 HA LYS 103 HA LYS 103 -7.740 -16.925 -18.376 802 HB2 LYS 103 1HB LYS 103 -7.972 -14.166 -17.158 803 HB3 LYS 103 2HB LYS 103 -9.022 -14.862 -18.387 804 HG2 LYS 103 1HG LYS 103 -9.675 -16.613 -16.737 805 HG3 LYS 103 2HG LYS 103 -8.760 -15.728 -15.517 806 HD2 LYS 103 1HD LYS 103 -11.048 -15.095 -15.304 807 HD3 LYS 103 2HD LYS 103 -10.185 -13.732 -16.019 808 HE2 LYS 103 1HE LYS 103 -12.338 -14.121 -17.123 809 HE3 LYS 103 2HE LYS 103 -10.985 -14.363 -18.229 810 HZ1 LYS 103 3HZ LYS 103 -11.685 -16.409 -18.620 811 HZ2 LYS 103 1HZ LYS 103 -13.025 -16.158 -17.609 812 HZ3 LYS 103 2HZ LYS 103 -11.595 -16.806 -16.976 813 H LYS 104 H LYS 104 -5.700 -17.201 -19.470 814 HA LYS 104 HA LYS 104 -4.279 -16.660 -21.152 815 HB2 LYS 104 1HB LYS 104 -5.684 -14.002 -21.014 816 HB3 LYS 104 2HB LYS 104 -4.270 -14.236 -22.031 817 HG2 LYS 104 1HG LYS 104 -6.185 -14.512 -23.400 818 HG3 LYS 104 2HG LYS 104 -5.490 -16.112 -23.151 819 HD2 LYS 104 1HD LYS 104 -7.161 -16.601 -21.457 820 HD3 LYS 104 2HD LYS 104 -7.832 -14.979 -21.626 821 HE2 LYS 104 1HE LYS 104 -7.721 -17.048 -23.815 822 HE3 LYS 104 2HE LYS 104 -9.139 -16.692 -22.832 823 HZ1 LYS 104 3HZ LYS 104 -7.872 -15.063 -24.925 824 HZ2 LYS 104 1HZ LYS 104 -8.738 -14.288 -23.686 825 HZ3 LYS 104 2HZ LYS 104 -9.508 -15.422 -24.691 826 H LYS 105 H LYS 105 -4.496 -14.336 -18.512 827 HA LYS 105 HA LYS 105 -1.583 -14.506 -18.236 828 HB2 LYS 105 1HB LYS 105 -1.491 -12.118 -17.631 829 HB3 LYS 105 2HB LYS 105 -2.025 -12.362 -19.285 830 HG2 LYS 105 1HG LYS 105 -4.379 -12.089 -18.463 831 HG3 LYS 105 2HG LYS 105 -3.699 -11.598 -16.909 832 HD2 LYS 105 1HD LYS 105 -2.464 -9.794 -18.057 833 HD3 LYS 105 2HD LYS 105 -3.231 -10.263 -19.574 834 HE2 LYS 105 1HE LYS 105 -4.453 -8.418 -18.719 835 HE3 LYS 105 2HE LYS 105 -5.443 -9.854 -18.468 836 HZ1 LYS 105 3HZ LYS 105 -4.713 -8.003 -16.575 837 HZ2 LYS 105 1HZ LYS 105 -3.754 -9.358 -16.230 838 HZ3 LYS 105 2HZ LYS 105 -5.444 -9.509 -16.292 839 H LYS 106 H LYS 106 -0.806 -14.235 -16.103 840 HA LYS 106 HA LYS 106 -2.740 -14.201 -13.921 841 HB2 LYS 106 1HB LYS 106 -2.804 -16.521 -14.436 842 HB3 LYS 106 2HB LYS 106 -1.067 -16.593 -14.687 843 HG2 LYS 106 1HG LYS 106 -0.735 -16.199 -12.274 844 HG3 LYS 106 2HG LYS 106 -2.487 -16.231 -12.056 845 HD2 LYS 106 1HD LYS 106 -2.601 -18.509 -12.793 846 HD3 LYS 106 2HD LYS 106 -0.901 -18.494 -13.262 847 HE2 LYS 106 1HE LYS 106 -1.907 -18.140 -10.440 848 HE3 LYS 106 2HE LYS 106 -1.337 -19.665 -11.116 849 HZ1 LYS 106 3HZ LYS 106 0.594 -17.673 -11.586 850 HZ2 LYS 106 1HZ LYS 106 0.734 -19.078 -10.649 851 HZ3 LYS 106 2HZ LYS 106 0.177 -17.642 -9.944 852 H VAL 107 H VAL 107 -1.897 -13.279 -12.145 853 HA VAL 107 HA VAL 107 0.888 -12.437 -12.211 854 HB VAL 107 HB VAL 107 -1.231 -11.781 -10.153 855 HG11 VAL 107 1HG1 VAL 107 1.230 -10.179 -10.747 856 HG12 VAL 107 2HG1 VAL 107 0.217 -10.168 -9.304 857 HG13 VAL 107 3HG1 VAL 107 1.278 -11.539 -9.626 858 HG21 VAL 107 3HG2 VAL 107 -0.516 -10.486 -12.754 859 HG22 VAL 107 1HG2 VAL 107 -2.108 -10.833 -12.079 860 HG23 VAL 107 2HG2 VAL 107 -1.137 -9.517 -11.418 Start of MODEL 9 1 H1 GLY -1 1H GLY -1 -13.814 13.118 -9.953 2 H2 GLY -1 2H GLY -1 -14.937 11.923 -9.531 3 H3 GLY -1 3H GLY -1 -15.142 12.799 -10.965 4 HA2 GLY -1 1HA GLY -1 -14.191 11.012 -11.910 5 HA3 GLY -1 2HA GLY -1 -12.713 11.815 -11.389 6 H GLY 0 H GLY 0 -13.862 8.907 -11.607 7 HA2 GLY 0 2HA GLY 0 -12.224 7.657 -9.746 8 HA3 GLY 0 1HA GLY 0 -13.784 7.870 -8.961 9 H SER 1 H SER 1 -12.555 6.873 -12.149 10 HA SER 1 HA SER 1 -13.116 5.187 -13.545 11 HB2 SER 1 1HB SER 1 -14.167 3.831 -11.045 12 HB3 SER 1 2HB SER 1 -13.857 3.044 -12.591 13 HG SER 1 HG SER 1 -12.111 2.740 -11.172 14 H SER 2 H SER 2 -15.668 3.538 -12.554 15 HA SER 2 HA SER 2 -17.782 5.437 -12.868 16 HB2 SER 2 1HB SER 2 -17.230 3.476 -15.112 17 HB3 SER 2 2HB SER 2 -18.733 4.376 -14.929 18 HG SER 2 HG SER 2 -16.636 6.055 -14.779 19 H ARG 3 H ARG 3 -19.676 4.648 -12.099 20 HA ARG 3 HA ARG 3 -21.150 3.315 -11.029 21 HB2 ARG 3 1HB ARG 3 -19.630 1.013 -12.267 22 HB3 ARG 3 2HB ARG 3 -21.206 0.908 -11.494 23 HG2 ARG 3 1HG ARG 3 -22.149 2.380 -13.198 24 HG3 ARG 3 2HG ARG 3 -20.570 2.494 -13.974 25 HD2 ARG 3 1HD ARG 3 -20.601 0.061 -14.351 26 HD3 ARG 3 2HD ARG 3 -22.205 -0.017 -13.621 27 HE ARG 3 HE ARG 3 -23.101 0.754 -15.575 28 HH11 ARG 3 2HH1 ARG 3 -19.629 1.260 -15.670 29 HH12 ARG 3 1HH1 ARG 3 -19.647 1.932 -17.276 30 HH21 ARG 3 2HH2 ARG 3 -23.122 1.618 -17.693 31 HH22 ARG 3 1HH2 ARG 3 -21.626 2.141 -18.421 32 H HIS 4 H HIS 4 -18.485 0.993 -10.767 33 HA HIS 4 HA HIS 4 -18.467 1.470 -7.859 34 HB2 HIS 4 1HB HIS 4 -17.341 -0.848 -9.457 35 HB3 HIS 4 2HB HIS 4 -17.207 -0.667 -7.712 36 HD1 HIS 4 HD1 HIS 4 -18.459 -3.173 -8.251 37 HD2 HIS 4 HD2 HIS 4 -20.713 0.324 -8.411 38 HE1 HIS 4 HE1 HIS 4 -20.852 -3.891 -7.983 39 HE2 HIS 4 HE2 HIS 4 -22.205 -1.788 -8.284 40 H GLN 5 H GLN 5 -15.738 0.119 -7.870 41 HA GLN 5 HA GLN 5 -14.187 2.518 -8.488 42 HB2 GLN 5 1HB GLN 5 -12.424 1.629 -7.216 43 HB3 GLN 5 2HB GLN 5 -13.863 1.155 -6.330 44 HG2 GLN 5 1HG GLN 5 -13.732 -1.078 -7.241 45 HG3 GLN 5 2HG GLN 5 -12.345 -0.621 -8.229 46 HE21 GLN 5 1HE2 GLN 5 -12.146 0.957 -5.311 47 HE22 GLN 5 2HE2 GLN 5 -11.104 -0.147 -4.479 48 H PHE 6 H PHE 6 -15.209 -0.330 -9.867 49 HA PHE 6 HA PHE 6 -14.890 -1.234 -11.936 50 HB2 PHE 6 1HB PHE 6 -14.178 1.010 -12.695 51 HB3 PHE 6 2HB PHE 6 -12.536 0.644 -12.206 52 HD1 PHE 6 HD1 PHE 6 -15.093 -1.307 -14.102 53 HD2 PHE 6 HD2 PHE 6 -11.217 0.450 -14.054 54 HE1 PHE 6 HE1 PHE 6 -14.635 -2.271 -16.320 55 HE2 PHE 6 HE2 PHE 6 -10.755 -0.508 -16.274 56 HZ PHE 6 HZ PHE 6 -12.464 -1.867 -17.408 57 H ASP 7 H ASP 7 -13.678 -1.894 -9.364 58 HA ASP 7 HA ASP 7 -12.236 -3.383 -8.394 59 HB2 ASP 7 1HB ASP 7 -12.974 -4.696 -10.999 60 HB3 ASP 7 2HB ASP 7 -11.963 -5.517 -9.812 61 H LEU 8 H LEU 8 -10.675 -1.425 -9.095 62 HA LEU 8 HA LEU 8 -8.836 -1.796 -11.113 63 HB2 LEU 8 1HB LEU 8 -8.440 -0.330 -8.538 64 HB3 LEU 8 2HB LEU 8 -7.424 -0.188 -9.962 65 HG LEU 8 HG LEU 8 -10.109 0.936 -9.435 66 HD11 LEU 8 1HD1 LEU 8 -8.389 2.473 -9.410 67 HD12 LEU 8 2HD1 LEU 8 -7.572 1.703 -10.773 68 HD13 LEU 8 3HD1 LEU 8 -9.047 2.628 -11.041 69 HD21 LEU 8 3HD2 LEU 8 -10.477 1.183 -11.901 70 HD22 LEU 8 1HD2 LEU 8 -9.240 -0.047 -12.147 71 HD23 LEU 8 2HD2 LEU 8 -10.724 -0.448 -11.277 72 H ILE 9 H ILE 9 -6.866 -2.583 -11.290 73 HA ILE 9 HA ILE 9 -6.467 -4.951 -9.674 74 HB ILE 9 HB ILE 9 -5.515 -4.250 -12.462 75 HG12 ILE 9 1HG1 ILE 9 -7.308 -6.009 -13.078 76 HG13 ILE 9 2HG1 ILE 9 -7.960 -5.691 -11.473 77 HG21 ILE 9 1HG2 ILE 9 -5.706 -7.020 -12.175 78 HG22 ILE 9 2HG2 ILE 9 -4.258 -6.028 -12.394 79 HG23 ILE 9 3HG2 ILE 9 -4.820 -6.424 -10.769 80 HD11 ILE 9 3HD1 ILE 9 -7.590 -3.672 -13.672 81 HD12 ILE 9 1HD1 ILE 9 -9.117 -4.382 -13.138 82 HD13 ILE 9 2HD1 ILE 9 -8.203 -3.330 -12.051 83 H MET 10 H MET 10 -5.438 -2.837 -8.462 84 HA MET 10 HA MET 10 -3.591 -1.741 -7.677 85 HB2 MET 10 1HB MET 10 -1.758 -3.920 -7.553 86 HB3 MET 10 2HB MET 10 -2.635 -3.133 -6.256 87 HG2 MET 10 1HG MET 10 -4.560 -4.628 -6.740 88 HG3 MET 10 2HG MET 10 -3.541 -5.472 -7.903 89 HE1 MET 10 3HE MET 10 -3.570 -4.001 -4.442 90 HE2 MET 10 1HE MET 10 -2.917 -5.249 -3.379 91 HE3 MET 10 2HE MET 10 -1.825 -4.246 -4.337 92 H CYS 11 H CYS 11 -0.982 -1.983 -7.758 93 HA CYS 11 HA CYS 11 -0.339 -1.228 -10.509 94 HB2 CYS 11 1HB CYS 11 -0.193 0.399 -8.561 95 HB3 CYS 11 2HB CYS 11 1.145 -0.569 -7.961 96 H LEU 12 H LEU 12 1.093 -2.683 -7.652 97 HA LEU 12 HA LEU 12 2.742 -4.183 -7.290 98 HB2 LEU 12 1HB LEU 12 1.315 -5.526 -9.574 99 HB3 LEU 12 2HB LEU 12 2.309 -6.322 -8.365 100 HG LEU 12 HG LEU 12 -0.319 -4.914 -7.896 101 HD11 LEU 12 1HD1 LEU 12 -1.305 -6.921 -7.787 102 HD12 LEU 12 2HD1 LEU 12 0.041 -7.404 -8.824 103 HD13 LEU 12 3HD1 LEU 12 0.119 -7.702 -7.084 104 HD21 LEU 12 3HD2 LEU 12 0.927 -4.432 -5.971 105 HD22 LEU 12 1HD2 LEU 12 -0.016 -5.863 -5.555 106 HD23 LEU 12 2HD2 LEU 12 1.694 -6.021 -5.965 107 H LYS 13 H LYS 13 3.620 -2.119 -9.043 108 HA LYS 13 HA LYS 13 5.518 -3.459 -10.810 109 HB2 LYS 13 1HB LYS 13 5.356 -0.519 -10.111 110 HB3 LYS 13 2HB LYS 13 6.244 -1.247 -11.440 111 HG2 LYS 13 1HG LYS 13 4.131 -1.950 -12.462 112 HG3 LYS 13 2HG LYS 13 3.249 -1.177 -11.148 113 HD2 LYS 13 1HD LYS 13 3.328 0.223 -13.173 114 HD3 LYS 13 2HD LYS 13 4.117 0.992 -11.799 115 HE2 LYS 13 1HE LYS 13 6.240 0.624 -12.654 116 HE3 LYS 13 2HE LYS 13 5.692 -0.621 -13.766 117 HZ1 LYS 13 3HZ LYS 13 5.575 0.932 -15.320 118 HZ2 LYS 13 1HZ LYS 13 5.948 2.155 -14.210 119 HZ3 LYS 13 2HZ LYS 13 4.336 1.699 -14.453 120 H GLN 14 H GLN 14 7.871 -2.336 -10.427 121 HA GLN 14 HA GLN 14 8.756 -3.422 -7.976 122 HB2 GLN 14 1HB GLN 14 10.066 -1.812 -10.147 123 HB3 GLN 14 2HB GLN 14 10.932 -2.281 -8.700 124 HG2 GLN 14 1HG GLN 14 9.630 -4.143 -10.662 125 HG3 GLN 14 2HG GLN 14 11.362 -3.841 -10.498 126 HE21 GLN 14 1HE2 GLN 14 8.928 -5.906 -9.709 127 HE22 GLN 14 2HE2 GLN 14 9.650 -6.688 -8.339 128 HA PRO 15 HA PRO 15 7.745 0.178 -5.552 129 HB2 PRO 15 1HB PRO 15 8.862 -1.323 -3.320 130 HB3 PRO 15 2HB PRO 15 7.197 -0.814 -3.601 131 HG2 PRO 15 1HG PRO 15 7.972 -3.402 -3.732 132 HG3 PRO 15 2HG PRO 15 6.651 -2.743 -4.715 133 HD2 PRO 15 1HD PRO 15 9.484 -3.326 -5.483 134 HD3 PRO 15 2HD PRO 15 7.987 -3.590 -6.405 135 H GLY 16 H GLY 16 8.825 1.904 -4.762 136 HA2 GLY 16 2HA GLY 16 11.743 1.846 -4.900 137 HA3 GLY 16 1HA GLY 16 10.735 3.278 -4.747 138 H VAL 17 H VAL 17 11.395 4.244 -2.933 139 HA VAL 17 HA VAL 17 11.732 2.597 -0.524 140 HB VAL 17 HB VAL 17 12.942 4.521 0.452 141 HG11 VAL 17 1HG1 VAL 17 13.982 3.499 -2.185 142 HG12 VAL 17 2HG1 VAL 17 14.960 4.337 -0.983 143 HG13 VAL 17 3HG1 VAL 17 14.228 2.781 -0.593 144 HG21 VAL 17 3HG2 VAL 17 12.629 6.543 -0.432 145 HG22 VAL 17 1HG2 VAL 17 13.670 6.040 -1.762 146 HG23 VAL 17 2HG2 VAL 17 11.921 5.865 -1.897 147 H GLN 18 H GLN 18 9.864 5.152 -1.929 148 HA GLN 18 HA GLN 18 8.848 6.315 0.406 149 HB2 GLN 18 1HB GLN 18 7.625 6.159 -2.355 150 HB3 GLN 18 2HB GLN 18 7.037 7.195 -1.063 151 HG2 GLN 18 1HG GLN 18 8.328 8.694 -2.165 152 HG3 GLN 18 2HG GLN 18 9.549 8.028 -1.087 153 HE21 GLN 18 1HE2 GLN 18 9.459 9.211 -3.916 154 HE22 GLN 18 2HE2 GLN 18 10.424 8.099 -4.836 155 H THR 19 H THR 19 7.283 5.806 1.766 156 HA THR 19 HA THR 19 6.091 3.183 1.581 157 HB THR 19 HB THR 19 5.611 5.249 3.729 158 HG1 THR 19 HG1 THR 19 7.937 4.590 3.120 159 HG21 THR 19 1HG2 THR 19 4.154 3.391 3.971 160 HG22 THR 19 2HG2 THR 19 5.467 3.133 5.120 161 HG23 THR 19 3HG2 THR 19 5.439 2.243 3.596 162 H GLY 20 H GLY 20 3.932 2.703 1.333 163 HA2 GLY 20 2HA GLY 20 2.350 4.628 -0.093 164 HA3 GLY 20 1HA GLY 20 1.872 2.990 0.321 165 H LEU 21 H LEU 21 0.734 5.888 0.583 166 HA LEU 21 HA LEU 21 0.143 5.927 3.437 167 HB2 LEU 21 1HB LEU 21 -0.329 7.901 1.218 168 HB3 LEU 21 2HB LEU 21 -1.012 8.104 2.819 169 HG LEU 21 HG LEU 21 1.942 7.929 2.215 170 HD11 LEU 21 1HD1 LEU 21 0.956 10.413 3.315 171 HD12 LEU 21 2HD1 LEU 21 1.970 10.128 1.899 172 HD13 LEU 21 3HD1 LEU 21 0.213 10.046 1.759 173 HD21 LEU 21 3HD2 LEU 21 2.166 8.702 4.550 174 HD22 LEU 21 1HD2 LEU 21 0.423 8.513 4.753 175 HD23 LEU 21 2HD2 LEU 21 1.430 7.104 4.425 176 H LEU 22 H LEU 22 -1.849 5.794 4.321 177 HA LEU 22 HA LEU 22 -4.071 4.950 2.572 178 HB2 LEU 22 1HB LEU 22 -3.569 4.297 5.480 179 HB3 LEU 22 2HB LEU 22 -5.013 3.855 4.590 180 HG LEU 22 HG LEU 22 -2.221 2.839 4.171 181 HD11 LEU 22 1HD1 LEU 22 -3.214 1.706 5.973 182 HD12 LEU 22 2HD1 LEU 22 -4.789 1.652 5.182 183 HD13 LEU 22 3HD1 LEU 22 -3.466 0.650 4.584 184 HD21 LEU 22 3HD2 LEU 22 -4.007 1.375 2.604 185 HD22 LEU 22 1HD2 LEU 22 -4.400 3.066 2.302 186 HD23 LEU 22 2HD2 LEU 22 -2.756 2.483 2.042 187 H CYS 23 H CYS 23 -5.977 5.983 2.771 188 HA CYS 23 HA CYS 23 -6.128 8.432 4.283 189 HB2 CYS 23 1HB CYS 23 -8.218 8.778 3.269 190 HB3 CYS 23 2HB CYS 23 -7.305 7.930 2.030 191 H GLU 24 H GLU 24 -7.587 8.746 6.055 192 HA GLU 24 HA GLU 24 -7.330 6.929 8.071 193 HB2 GLU 24 1HB GLU 24 -9.739 8.718 7.852 194 HB3 GLU 24 2HB GLU 24 -8.930 8.172 9.314 195 HG2 GLU 24 1HG GLU 24 -6.926 9.478 8.584 196 HG3 GLU 24 2HG GLU 24 -7.924 10.140 7.286 197 H LYS 25 H LYS 25 -9.890 7.075 5.692 198 HA LYS 25 HA LYS 25 -11.624 5.283 7.007 199 HB2 LYS 25 1HB LYS 25 -11.528 6.078 4.101 200 HB3 LYS 25 2HB LYS 25 -12.873 5.264 4.895 201 HG2 LYS 25 1HG LYS 25 -13.012 7.215 6.463 202 HG3 LYS 25 2HG LYS 25 -11.829 8.033 5.443 203 HD2 LYS 25 1HD LYS 25 -14.540 7.047 4.566 204 HD3 LYS 25 2HD LYS 25 -14.110 8.721 4.912 205 HE2 LYS 25 1HE LYS 25 -12.467 8.663 3.091 206 HE3 LYS 25 2HE LYS 25 -12.930 6.999 2.737 207 HZ1 LYS 25 3HZ LYS 25 -15.302 8.209 2.658 208 HZ2 LYS 25 1HZ LYS 25 -14.318 7.996 1.293 209 HZ3 LYS 25 2HZ LYS 25 -14.310 9.476 2.120 210 H CYS 26 H CYS 26 -8.875 4.689 4.929 211 HA CYS 26 HA CYS 26 -9.644 1.847 4.816 212 HB2 CYS 26 1HB CYS 26 -7.368 3.163 3.319 213 HB3 CYS 26 2HB CYS 26 -7.906 1.498 3.156 214 H ASP 27 H ASP 27 -7.668 4.109 6.382 215 HA ASP 27 HA ASP 27 -5.300 2.849 6.845 216 HB2 ASP 27 1HB ASP 27 -5.895 5.144 7.605 217 HB3 ASP 27 2HB ASP 27 -6.816 4.434 8.924 218 H GLY 28 H GLY 28 -4.849 0.929 7.532 219 HA2 GLY 28 2HA GLY 28 -4.818 -0.506 9.602 220 HA3 GLY 28 1HA GLY 28 -6.570 -0.330 9.574 221 H LYS 29 H LYS 29 -6.670 -0.407 6.665 222 HA LYS 29 HA LYS 29 -6.938 -3.230 6.329 223 HB2 LYS 29 1HB LYS 29 -7.129 -0.947 4.361 224 HB3 LYS 29 2HB LYS 29 -7.509 -2.614 3.973 225 HG2 LYS 29 1HG LYS 29 -9.374 -2.632 5.404 226 HG3 LYS 29 2HG LYS 29 -8.908 -1.091 6.135 227 HD2 LYS 29 1HD LYS 29 -9.387 0.101 4.144 228 HD3 LYS 29 2HD LYS 29 -9.535 -1.388 3.209 229 HE2 LYS 29 1HE LYS 29 -11.315 -0.925 5.538 230 HE3 LYS 29 2HE LYS 29 -11.668 -0.115 4.013 231 HZ1 LYS 29 3HZ LYS 29 -12.705 -1.981 3.452 232 HZ2 LYS 29 1HZ LYS 29 -12.054 -2.849 4.759 233 HZ3 LYS 29 2HZ LYS 29 -11.177 -2.708 3.310 234 H CYS 30 H CYS 30 -5.522 -4.626 5.625 235 HA CYS 30 HA CYS 30 -2.931 -3.917 4.590 236 HB2 CYS 30 1HB CYS 30 -3.007 -5.963 5.767 237 HB3 CYS 30 2HB CYS 30 -4.490 -6.465 4.967 238 HA PRO 31 HA PRO 31 -4.572 -2.845 0.585 239 HB2 PRO 31 1HB PRO 31 -1.787 -3.547 -0.227 240 HB3 PRO 31 2HB PRO 31 -2.742 -2.110 -0.608 241 HG2 PRO 31 1HG PRO 31 -0.824 -2.011 1.229 242 HG3 PRO 31 2HG PRO 31 -2.350 -1.137 1.464 243 HD2 PRO 31 1HD PRO 31 -1.384 -3.651 2.740 244 HD3 PRO 31 2HD PRO 31 -2.414 -2.367 3.405 245 H ILE 32 H ILE 32 -2.586 -5.720 1.021 246 HA ILE 32 HA ILE 32 -3.171 -6.916 -1.450 247 HB ILE 32 HB ILE 32 -2.348 -8.306 1.097 248 HG12 ILE 32 1HG1 ILE 32 -0.877 -6.366 0.328 249 HG13 ILE 32 2HG1 ILE 32 -0.076 -7.921 0.513 250 HG21 ILE 32 1HG2 ILE 32 -3.220 -9.559 -1.049 251 HG22 ILE 32 2HG2 ILE 32 -1.583 -9.238 -1.625 252 HG23 ILE 32 3HG2 ILE 32 -1.832 -10.159 -0.142 253 HD11 ILE 32 3HD1 ILE 32 -1.092 -7.447 -2.180 254 HD12 ILE 32 1HD1 ILE 32 0.117 -6.277 -1.652 255 HD13 ILE 32 2HD1 ILE 32 0.495 -8.003 -1.637 256 H CYS 33 H CYS 33 -4.659 -7.465 1.782 257 HA CYS 33 HA CYS 33 -6.662 -9.114 0.387 258 HB2 CYS 33 1HB CYS 33 -6.897 -10.432 2.422 259 HB3 CYS 33 2HB CYS 33 -5.231 -10.422 1.864 260 H ASP 34 H ASP 34 -6.382 -6.188 1.882 261 HA ASP 34 HA ASP 34 -7.863 -4.651 2.661 262 HB2 ASP 34 1HB ASP 34 -9.059 -5.170 0.576 263 HB3 ASP 34 2HB ASP 34 -9.916 -6.476 1.384 264 H SER 35 H SER 35 -7.102 -5.659 4.751 265 HA SER 35 HA SER 35 -9.379 -6.244 6.425 266 HB2 SER 35 1HB SER 35 -7.799 -8.343 5.308 267 HB3 SER 35 2HB SER 35 -7.464 -8.259 7.035 268 HG SER 35 HG SER 35 -9.724 -9.058 5.713 269 H TYR 36 H TYR 36 -8.985 -5.789 8.573 270 HA TYR 36 HA TYR 36 -6.661 -4.153 9.068 271 HB2 TYR 36 1HB TYR 36 -9.018 -4.845 10.838 272 HB3 TYR 36 2HB TYR 36 -7.753 -3.699 11.260 273 HD1 TYR 36 HD1 TYR 36 -9.974 -4.299 8.305 274 HD2 TYR 36 HD2 TYR 36 -8.382 -1.504 11.082 275 HE1 TYR 36 HE1 TYR 36 -11.242 -2.507 7.212 276 HE2 TYR 36 HE2 TYR 36 -9.654 0.301 10.003 277 HH TYR 36 HH TYR 36 -11.388 0.731 8.575 278 H VAL 37 H VAL 37 -6.746 -7.241 8.932 279 HA VAL 37 HA VAL 37 -6.045 -8.292 11.423 280 HB VAL 37 HB VAL 37 -6.707 -9.673 9.494 281 HG11 VAL 37 1HG1 VAL 37 -5.516 -9.924 7.571 282 HG12 VAL 37 2HG1 VAL 37 -5.157 -8.239 7.950 283 HG13 VAL 37 3HG1 VAL 37 -3.982 -9.498 8.332 284 HG21 VAL 37 3HG2 VAL 37 -4.811 -11.394 9.709 285 HG22 VAL 37 1HG2 VAL 37 -4.110 -10.258 10.862 286 HG23 VAL 37 2HG2 VAL 37 -5.707 -10.940 11.158 287 H ARG 38 H ARG 38 -4.069 -8.828 12.314 288 HA ARG 38 HA ARG 38 -2.284 -6.936 12.760 289 HB2 ARG 38 1HB ARG 38 -0.625 -8.688 13.406 290 HB3 ARG 38 2HB ARG 38 -2.243 -8.952 14.041 291 HG2 ARG 38 1HG ARG 38 -2.673 -10.679 12.471 292 HG3 ARG 38 2HG ARG 38 -1.214 -10.296 11.555 293 HD2 ARG 38 1HD ARG 38 -0.967 -12.309 12.959 294 HD3 ARG 38 2HD ARG 38 0.178 -11.038 13.380 295 HE ARG 38 HE ARG 38 -0.724 -10.991 15.460 296 HH11 ARG 38 2HH1 ARG 38 -3.054 -12.525 13.324 297 HH12 ARG 38 1HH1 ARG 38 -4.217 -12.795 14.595 298 HH21 ARG 38 2HH2 ARG 38 -2.233 -11.379 17.116 299 HH22 ARG 38 1HH2 ARG 38 -3.732 -12.183 16.752 300 HA PRO 39 HA PRO 39 0.052 -6.245 9.045 301 HB2 PRO 39 1HB PRO 39 1.713 -4.469 10.638 302 HB3 PRO 39 2HB PRO 39 0.564 -4.066 9.362 303 HG2 PRO 39 1HG PRO 39 0.141 -3.450 11.967 304 HG3 PRO 39 2HG PRO 39 -1.177 -3.795 10.830 305 HD2 PRO 39 1HD PRO 39 0.073 -5.583 12.886 306 HD3 PRO 39 2HD PRO 39 -1.642 -5.371 12.469 307 H LYS 40 H LYS 40 2.690 -5.509 9.035 308 HA LYS 40 HA LYS 40 4.361 -7.137 10.633 309 HB2 LYS 40 1HB LYS 40 3.416 -8.918 9.203 310 HB3 LYS 40 2HB LYS 40 3.978 -8.060 7.778 311 HG2 LYS 40 1HG LYS 40 5.565 -9.729 8.110 312 HG3 LYS 40 2HG LYS 40 6.319 -8.282 8.775 313 HD2 LYS 40 1HD LYS 40 4.814 -10.270 10.471 314 HD3 LYS 40 2HD LYS 40 6.540 -10.410 10.139 315 HE2 LYS 40 1HE LYS 40 5.193 -8.064 11.474 316 HE3 LYS 40 2HE LYS 40 6.098 -9.331 12.298 317 HZ1 LYS 40 3HZ LYS 40 7.996 -8.299 11.860 318 HZ2 LYS 40 1HZ LYS 40 7.095 -6.975 11.300 319 HZ3 LYS 40 2HZ LYS 40 7.634 -8.151 10.207 320 H ARG 41 H ARG 41 4.025 -5.491 7.489 321 HA ARG 41 HA ARG 41 6.402 -3.932 8.094 322 HB2 ARG 41 1HB ARG 41 7.184 -6.047 6.938 323 HB3 ARG 41 2HB ARG 41 6.300 -5.505 5.516 324 HG2 ARG 41 1HG ARG 41 7.679 -3.354 5.711 325 HG3 ARG 41 2HG ARG 41 8.713 -4.277 6.803 326 HD2 ARG 41 1HD ARG 41 8.968 -5.984 4.998 327 HD3 ARG 41 2HD ARG 41 8.089 -4.902 3.919 328 HE ARG 41 HE ARG 41 10.827 -4.767 4.554 329 HH11 ARG 41 2HH1 ARG 41 8.065 -2.648 4.033 330 HH12 ARG 41 1HH1 ARG 41 9.048 -1.256 3.694 331 HH21 ARG 41 2HH2 ARG 41 12.104 -2.923 4.056 332 HH22 ARG 41 1HH2 ARG 41 11.316 -1.415 3.695 333 H LYS 42 H LYS 42 6.464 -1.980 7.071 334 HA LYS 42 HA LYS 42 4.076 -0.925 6.015 335 HB2 LYS 42 1HB LYS 42 6.910 0.094 6.021 336 HB3 LYS 42 2HB LYS 42 5.589 1.010 5.311 337 HG2 LYS 42 1HG LYS 42 4.437 0.828 7.555 338 HG3 LYS 42 2HG LYS 42 5.977 0.239 8.184 339 HD2 LYS 42 1HD LYS 42 7.078 2.283 7.566 340 HD3 LYS 42 2HD LYS 42 5.635 2.858 6.728 341 HE2 LYS 42 1HE LYS 42 4.425 2.800 8.903 342 HE3 LYS 42 2HE LYS 42 5.949 2.392 9.688 343 HZ1 LYS 42 3HZ LYS 42 5.709 4.696 9.915 344 HZ2 LYS 42 1HZ LYS 42 5.226 4.905 8.301 345 HZ3 LYS 42 2HZ LYS 42 6.836 4.503 8.662 346 H VAL 43 H VAL 43 3.440 -0.399 3.977 347 HA VAL 43 HA VAL 43 4.525 -2.014 1.842 348 HB VAL 43 HB VAL 43 2.645 -1.252 0.531 349 HG11 VAL 43 1HG1 VAL 43 2.046 -3.029 1.939 350 HG12 VAL 43 2HG1 VAL 43 2.003 -1.994 3.367 351 HG13 VAL 43 3HG1 VAL 43 0.758 -1.840 2.130 352 HG21 VAL 43 3HG2 VAL 43 2.159 0.694 2.776 353 HG22 VAL 43 1HG2 VAL 43 2.578 1.073 1.106 354 HG23 VAL 43 2HG2 VAL 43 1.008 0.360 1.481 355 H ARG 44 H ARG 44 5.401 -1.217 -0.110 356 HA ARG 44 HA ARG 44 6.202 1.617 -0.024 357 HB2 ARG 44 1HB ARG 44 7.761 -0.758 -1.042 358 HB3 ARG 44 2HB ARG 44 8.218 0.912 -1.349 359 HG2 ARG 44 1HG ARG 44 8.566 1.316 0.975 360 HG3 ARG 44 2HG ARG 44 7.888 -0.258 1.400 361 HD2 ARG 44 1HD ARG 44 10.397 0.210 -0.202 362 HD3 ARG 44 2HD ARG 44 10.333 -0.269 1.493 363 HE ARG 44 HE ARG 44 8.872 -2.096 -0.116 364 HH11 ARG 44 2HH1 ARG 44 12.133 -1.125 0.688 365 HH12 ARG 44 1HH1 ARG 44 12.819 -2.704 0.423 366 HH21 ARG 44 2HH2 ARG 44 9.756 -4.173 -0.515 367 HH22 ARG 44 1HH2 ARG 44 11.454 -4.448 -0.256 368 H VAL 45 H VAL 45 5.793 2.824 -1.754 369 HA VAL 45 HA VAL 45 4.275 1.606 -3.917 370 HB VAL 45 HB VAL 45 3.912 3.938 -4.702 371 HG11 VAL 45 1HG1 VAL 45 2.395 2.735 -3.108 372 HG12 VAL 45 2HG1 VAL 45 3.181 3.619 -1.800 373 HG13 VAL 45 3HG1 VAL 45 2.300 4.493 -3.052 374 HG21 VAL 45 3HG2 VAL 45 5.568 4.589 -2.277 375 HG22 VAL 45 1HG2 VAL 45 5.813 5.110 -3.944 376 HG23 VAL 45 2HG2 VAL 45 4.459 5.750 -3.010 377 H CYS 46 H CYS 46 4.862 1.679 -6.061 378 HA CYS 46 HA CYS 46 7.610 1.430 -6.604 379 HB2 CYS 46 1HB CYS 46 7.016 0.939 -8.823 380 HB3 CYS 46 2HB CYS 46 5.641 0.378 -7.877 381 H GLU 47 H GLU 47 8.954 2.677 -7.891 382 HA GLU 47 HA GLU 47 9.119 5.373 -7.339 383 HB2 GLU 47 1HB GLU 47 10.896 3.804 -8.234 384 HB3 GLU 47 2HB GLU 47 10.202 4.045 -9.828 385 HG2 GLU 47 1HG GLU 47 11.111 6.377 -8.197 386 HG3 GLU 47 2HG GLU 47 12.265 5.413 -9.113 387 H ASN 48 H ASN 48 7.560 3.762 -10.053 388 HA ASN 48 HA ASN 48 7.037 6.044 -11.614 389 HB2 ASN 48 1HB ASN 48 6.055 3.252 -11.539 390 HB3 ASN 48 2HB ASN 48 5.067 4.426 -12.407 391 HD21 ASN 48 1HD2 ASN 48 7.654 2.345 -12.598 392 HD22 ASN 48 2HD2 ASN 48 8.348 2.927 -14.075 393 H CYS 49 H CYS 49 5.530 4.975 -8.712 394 HA CYS 49 HA CYS 49 3.129 6.547 -9.267 395 HB2 CYS 49 1HB CYS 49 3.903 4.683 -7.048 396 HB3 CYS 49 2HB CYS 49 2.606 5.849 -6.810 397 H SER 50 H SER 50 5.981 6.571 -7.207 398 HA SER 50 HA SER 50 5.113 8.647 -5.527 399 HB2 SER 50 1HB SER 50 7.687 8.727 -5.051 400 HB3 SER 50 2HB SER 50 6.742 7.315 -4.575 401 HG SER 50 HG SER 50 8.481 7.627 -6.782 402 H PHE 51 H PHE 51 6.834 8.663 -8.565 403 HA PHE 51 HA PHE 51 8.011 11.161 -8.295 404 HB2 PHE 51 1HB PHE 51 8.486 11.106 -10.623 405 HB3 PHE 51 2HB PHE 51 8.671 9.495 -9.987 406 HD1 PHE 51 HD1 PHE 51 5.760 11.411 -11.393 407 HD2 PHE 51 HD2 PHE 51 8.215 7.946 -11.548 408 HE1 PHE 51 HE1 PHE 51 4.412 10.546 -13.259 409 HE2 PHE 51 HE2 PHE 51 6.862 7.066 -13.402 410 HZ PHE 51 HZ PHE 51 4.960 8.366 -14.260 411 H GLY 52 H GLY 52 4.710 10.426 -8.916 412 HA2 GLY 52 2HA GLY 52 3.687 12.825 -8.327 413 HA3 GLY 52 1HA GLY 52 4.140 13.056 -10.006 414 H LYS 53 H LYS 53 2.110 13.377 -10.675 415 HA LYS 53 HA LYS 53 0.030 13.070 -11.367 416 HB2 LYS 53 1HB LYS 53 -0.503 10.919 -12.511 417 HB3 LYS 53 2HB LYS 53 0.938 11.749 -13.058 418 HG2 LYS 53 1HG LYS 53 2.319 10.159 -11.806 419 HG3 LYS 53 2HG LYS 53 0.857 9.320 -11.283 420 HD2 LYS 53 1HD LYS 53 0.302 8.755 -13.558 421 HD3 LYS 53 2HD LYS 53 1.638 9.731 -14.167 422 HE2 LYS 53 1HE LYS 53 2.294 7.433 -14.247 423 HE3 LYS 53 2HE LYS 53 3.208 8.223 -12.965 424 HZ1 LYS 53 3HZ LYS 53 1.912 7.194 -11.323 425 HZ2 LYS 53 1HZ LYS 53 2.249 5.970 -12.447 426 HZ3 LYS 53 2HZ LYS 53 0.722 6.704 -12.428 427 H GLN 54 H GLN 54 0.589 10.090 -9.422 428 HA GLN 54 HA GLN 54 -1.521 10.845 -7.660 429 HB2 GLN 54 1HB GLN 54 -2.905 8.778 -8.136 430 HB3 GLN 54 2HB GLN 54 -3.020 10.092 -9.298 431 HG2 GLN 54 1HG GLN 54 -1.258 8.839 -10.631 432 HG3 GLN 54 2HG GLN 54 -1.596 7.474 -9.566 433 HE21 GLN 54 1HE2 GLN 54 -2.384 8.903 -12.435 434 HE22 GLN 54 2HE2 GLN 54 -3.925 8.163 -12.687 435 H ALA 55 H ALA 55 -0.715 10.285 -5.774 436 HA ALA 55 HA ALA 55 0.010 7.584 -5.147 437 HB1 ALA 55 3HB ALA 55 2.106 8.052 -6.130 438 HB2 ALA 55 1HB ALA 55 2.182 9.649 -5.383 439 HB3 ALA 55 2HB ALA 55 2.346 8.201 -4.390 440 H LYS 56 H LYS 56 -0.018 10.980 -4.296 441 HA LYS 56 HA LYS 56 0.272 10.669 -1.499 442 HB2 LYS 56 1HB LYS 56 -1.160 12.903 -2.943 443 HB3 LYS 56 2HB LYS 56 -0.457 12.957 -1.333 444 HG2 LYS 56 1HG LYS 56 1.758 12.802 -2.211 445 HG3 LYS 56 2HG LYS 56 1.146 12.487 -3.834 446 HD2 LYS 56 1HD LYS 56 0.054 14.751 -3.739 447 HD3 LYS 56 2HD LYS 56 0.966 15.043 -2.254 448 HE2 LYS 56 1HE LYS 56 2.156 14.338 -4.932 449 HE3 LYS 56 2HE LYS 56 2.083 15.962 -4.249 450 HZ1 LYS 56 3HZ LYS 56 3.300 14.739 -2.267 451 HZ2 LYS 56 1HZ LYS 56 4.156 15.367 -3.591 452 HZ3 LYS 56 2HZ LYS 56 3.802 13.710 -3.519 453 H ASN 57 H ASN 57 -2.400 10.404 -3.699 454 HA ASN 57 HA ASN 57 -4.392 10.376 -1.612 455 HB2 ASN 57 1HB ASN 57 -5.924 9.459 -3.329 456 HB3 ASN 57 2HB ASN 57 -5.178 10.962 -3.836 457 HD21 ASN 57 1HD2 ASN 57 -4.071 11.003 -5.698 458 HD22 ASN 57 2HD2 ASN 57 -3.778 9.615 -6.686 459 H CYS 58 H CYS 58 -5.194 8.706 -0.607 460 HA CYS 58 HA CYS 58 -3.691 6.670 0.275 461 HB2 CYS 58 1HB CYS 58 -5.649 7.165 1.412 462 HB3 CYS 58 2HB CYS 58 -6.636 7.044 -0.034 463 H ILE 59 H ILE 59 -2.886 4.895 -0.459 464 HA ILE 59 HA ILE 59 -2.975 4.213 -3.124 465 HB ILE 59 HB ILE 59 -1.710 2.186 -2.496 466 HG12 ILE 59 1HG1 ILE 59 -2.435 3.080 0.304 467 HG13 ILE 59 2HG1 ILE 59 -2.789 1.527 -0.446 468 HG21 ILE 59 1HG2 ILE 59 -0.752 4.533 -0.888 469 HG22 ILE 59 2HG2 ILE 59 0.200 3.369 -1.811 470 HG23 ILE 59 3HG2 ILE 59 -0.794 4.563 -2.650 471 HD11 ILE 59 3HD1 ILE 59 0.002 1.847 -0.537 472 HD12 ILE 59 1HD1 ILE 59 -0.516 2.321 1.085 473 HD13 ILE 59 2HD1 ILE 59 -0.938 0.727 0.450 474 H ILE 60 H ILE 60 -4.940 2.900 -0.520 475 HA ILE 60 HA ILE 60 -5.761 0.608 -1.993 476 HB ILE 60 HB ILE 60 -6.879 1.835 0.523 477 HG12 ILE 60 1HG1 ILE 60 -5.173 -0.607 -0.004 478 HG13 ILE 60 2HG1 ILE 60 -4.628 0.900 0.724 479 HG21 ILE 60 1HG2 ILE 60 -7.756 -0.742 0.530 480 HG22 ILE 60 2HG2 ILE 60 -8.730 0.650 0.051 481 HG23 ILE 60 3HG2 ILE 60 -7.917 -0.322 -1.176 482 HD11 ILE 60 3HD1 ILE 60 -6.421 -1.199 1.875 483 HD12 ILE 60 1HD1 ILE 60 -4.910 -0.553 2.515 484 HD13 ILE 60 2HD1 ILE 60 -6.371 0.437 2.533 485 H CYS 61 H CYS 61 -7.388 3.740 -1.336 486 HA CYS 61 HA CYS 61 -9.485 2.825 -3.163 487 HB2 CYS 61 1HB CYS 61 -10.914 4.608 -2.279 488 HB3 CYS 61 2HB CYS 61 -10.364 3.513 -1.012 489 H ASN 62 H ASN 62 -6.746 4.695 -3.168 490 HA ASN 62 HA ASN 62 -5.917 6.380 -4.429 491 HB2 ASN 62 1HB ASN 62 -6.197 6.033 -6.878 492 HB3 ASN 62 2HB ASN 62 -5.661 4.615 -5.993 493 HD21 ASN 62 1HD2 ASN 62 -8.152 6.019 -7.907 494 HD22 ASN 62 2HD2 ASN 62 -9.110 4.593 -8.090 495 H LEU 63 H LEU 63 -7.845 7.527 -3.133 496 HA LEU 63 HA LEU 63 -8.882 9.467 -5.020 497 HB2 LEU 63 1HB LEU 63 -10.457 7.321 -4.344 498 HB3 LEU 63 2HB LEU 63 -10.955 8.522 -3.170 499 HG LEU 63 HG LEU 63 -12.468 8.826 -4.899 500 HD11 LEU 63 1HD1 LEU 63 -10.235 10.760 -4.947 501 HD12 LEU 63 2HD1 LEU 63 -11.397 10.853 -6.274 502 HD13 LEU 63 3HD1 LEU 63 -11.950 11.004 -4.605 503 HD21 LEU 63 3HD2 LEU 63 -11.158 7.287 -6.413 504 HD22 LEU 63 1HD2 LEU 63 -12.035 8.603 -7.201 505 HD23 LEU 63 2HD2 LEU 63 -10.290 8.723 -6.963 506 H ASN 64 H ASN 64 -9.570 8.418 -1.714 507 HA ASN 64 HA ASN 64 -9.470 11.066 -0.634 508 HB2 ASN 64 1HB ASN 64 -9.405 8.377 0.762 509 HB3 ASN 64 2HB ASN 64 -9.701 9.929 1.539 510 HD21 ASN 64 1HD2 ASN 64 -11.135 7.246 0.229 511 HD22 ASN 64 2HD2 ASN 64 -12.720 7.883 -0.063 512 H VAL 65 H VAL 65 -7.785 12.057 0.444 513 HA VAL 65 HA VAL 65 -5.197 11.276 -0.323 514 HB VAL 65 HB VAL 65 -5.826 13.616 0.062 515 HG11 VAL 65 1HG1 VAL 65 -6.970 14.029 1.918 516 HG12 VAL 65 2HG1 VAL 65 -6.392 12.555 2.692 517 HG13 VAL 65 3HG1 VAL 65 -5.411 14.017 2.744 518 HG21 VAL 65 3HG2 VAL 65 -3.493 13.171 -0.054 519 HG22 VAL 65 1HG2 VAL 65 -3.736 14.255 1.317 520 HG23 VAL 65 2HG2 VAL 65 -3.467 12.533 1.592 521 H GLY 66 H GLY 66 -3.558 10.227 0.674 522 HA2 GLY 66 2HA GLY 66 -4.256 8.536 2.893 523 HA3 GLY 66 1HA GLY 66 -2.719 8.565 2.046 524 H VAL 67 H VAL 67 -3.522 8.576 4.956 525 HA VAL 67 HA VAL 67 -1.975 10.959 5.728 526 HB VAL 67 HB VAL 67 -3.139 10.859 7.938 527 HG11 VAL 67 1HG1 VAL 67 -5.474 11.292 6.383 528 HG12 VAL 67 2HG1 VAL 67 -4.367 12.484 7.061 529 HG13 VAL 67 3HG1 VAL 67 -4.083 11.835 5.445 530 HG21 VAL 67 3HG2 VAL 67 -4.336 9.056 8.452 531 HG22 VAL 67 1HG2 VAL 67 -5.525 9.565 7.252 532 HG23 VAL 67 2HG2 VAL 67 -4.234 8.452 6.797 533 H ASN 68 H ASN 68 -2.658 7.555 6.620 534 HA ASN 68 HA ASN 68 -0.015 7.539 7.941 535 HB2 ASN 68 1HB ASN 68 -2.460 5.893 8.619 536 HB3 ASN 68 2HB ASN 68 -0.864 5.633 9.313 537 HD21 ASN 68 1HD2 ASN 68 -3.691 6.724 10.117 538 HD22 ASN 68 2HD2 ASN 68 -3.280 8.065 11.147 539 H ASP 69 H ASP 69 1.324 5.781 7.612 540 HA ASP 69 HA ASP 69 1.282 4.708 5.005 541 HB2 ASP 69 1HB ASP 69 2.887 3.763 7.394 542 HB3 ASP 69 2HB ASP 69 3.248 3.427 5.706 543 H ALA 70 H ALA 70 0.831 2.733 4.200 544 HA ALA 70 HA ALA 70 -0.950 1.016 5.710 545 HB1 ALA 70 3HB ALA 70 -1.747 0.708 3.658 546 HB2 ALA 70 1HB ALA 70 -0.316 1.435 2.924 547 HB3 ALA 70 2HB ALA 70 -0.319 -0.283 3.337 548 H PHE 71 H PHE 71 -0.594 -1.249 5.979 549 HA PHE 71 HA PHE 71 2.229 -2.066 5.923 550 HB2 PHE 71 1HB PHE 71 0.224 -2.512 8.140 551 HB3 PHE 71 2HB PHE 71 1.715 -3.432 7.995 552 HD1 PHE 71 HD2 PHE 71 0.578 0.130 8.111 553 HD2 PHE 71 HD1 PHE 71 3.519 -2.746 9.199 554 HE1 PHE 71 HE2 PHE 71 1.761 1.840 9.423 555 HE2 PHE 71 HE1 PHE 71 4.701 -1.046 10.519 556 HZ PHE 71 HZ PHE 71 3.823 1.253 10.633 557 H TYR 72 H TYR 72 2.599 -4.068 5.154 558 HA TYR 72 HA TYR 72 0.459 -5.643 4.001 559 HB2 TYR 72 1HB TYR 72 3.367 -6.353 4.506 560 HB3 TYR 72 2HB TYR 72 2.226 -7.351 3.620 561 HD1 TYR 72 HD2 TYR 72 1.218 -6.363 1.473 562 HD2 TYR 72 HD1 TYR 72 4.666 -4.775 3.394 563 HE1 TYR 72 HE2 TYR 72 1.883 -5.280 -0.631 564 HE2 TYR 72 HE1 TYR 72 5.344 -3.689 1.297 565 HH TYR 72 HH TYR 72 3.697 -4.295 -1.723 566 H CYS 73 H CYS 73 -0.757 -7.077 5.146 567 HA CYS 73 HA CYS 73 -0.271 -7.420 7.918 568 HB2 CYS 73 1HB CYS 73 -2.298 -8.527 8.043 569 HB3 CYS 73 2HB CYS 73 -2.531 -7.514 6.626 570 H TRP 74 H TRP 74 0.146 -9.339 9.054 571 HA TRP 74 HA TRP 74 2.399 -10.712 8.298 572 HB2 TRP 74 1HB TRP 74 1.244 -10.514 10.569 573 HB3 TRP 74 2HB TRP 74 0.301 -11.906 10.082 574 HD1 TRP 74 HD1 TRP 74 1.520 -12.891 12.365 575 HE1 TRP 74 HE1 TRP 74 3.679 -14.274 12.581 576 HE3 TRP 74 HE3 TRP 74 3.676 -11.702 7.890 577 HZ2 TRP 74 HZ2 TRP 74 5.993 -14.782 11.050 578 HZ3 TRP 74 HZ3 TRP 74 5.871 -12.674 7.345 579 HH2 TRP 74 HH2 TRP 74 7.001 -14.189 8.892 580 H GLU 75 H GLU 75 -0.959 -11.752 7.970 581 HA GLU 75 HA GLU 75 -0.510 -14.327 7.059 582 HB2 GLU 75 1HB GLU 75 -2.742 -12.490 6.162 583 HB3 GLU 75 2HB GLU 75 -2.751 -14.245 6.088 584 HG2 GLU 75 1HG GLU 75 -2.592 -12.646 8.631 585 HG3 GLU 75 2HG GLU 75 -4.077 -13.307 7.951 586 H CYS 76 H CYS 76 -0.759 -11.347 5.124 587 HA CYS 76 HA CYS 76 -0.309 -12.706 2.643 588 HB2 CYS 76 1HB CYS 76 -0.192 -9.777 3.373 589 HB3 CYS 76 2HB CYS 76 0.034 -10.386 1.738 590 H CYS 77 H CYS 77 1.693 -10.955 4.952 591 HA CYS 77 HA CYS 77 4.004 -10.824 3.340 592 HB2 CYS 77 1HB CYS 77 3.561 -9.425 5.367 593 HB3 CYS 77 2HB CYS 77 3.897 -10.839 6.358 594 HG CYS 77 HG CYS 77 6.292 -9.977 4.142 595 H ARG 78 H ARG 78 2.898 -13.208 5.711 596 HA ARG 78 HA ARG 78 5.251 -14.758 5.770 597 HB2 ARG 78 1HB ARG 78 3.383 -14.911 7.422 598 HB3 ARG 78 2HB ARG 78 2.411 -15.703 6.191 599 HG2 ARG 78 1HG ARG 78 3.812 -17.607 6.168 600 HG3 ARG 78 2HG ARG 78 5.057 -16.792 7.116 601 HD2 ARG 78 1HD ARG 78 3.763 -18.392 8.458 602 HD3 ARG 78 2HD ARG 78 3.592 -16.740 9.047 603 HE ARG 78 HE ARG 78 1.487 -17.230 7.277 604 HH11 ARG 78 2HH1 ARG 78 2.633 -18.401 10.377 605 HH12 ARG 78 1HH1 ARG 78 1.042 -18.782 10.974 606 HH21 ARG 78 2HH2 ARG 78 -0.611 -17.711 8.068 607 HH22 ARG 78 1HH2 ARG 78 -0.804 -18.345 9.678 608 H LEU 79 H LEU 79 2.422 -14.817 3.687 609 HA LEU 79 HA LEU 79 3.209 -17.121 2.179 610 HB2 LEU 79 1HB LEU 79 1.325 -14.863 1.474 611 HB3 LEU 79 2HB LEU 79 1.494 -16.355 0.570 612 HG LEU 79 HG LEU 79 0.521 -16.159 3.422 613 HD11 LEU 79 1HD1 LEU 79 -0.925 -16.473 0.807 614 HD12 LEU 79 2HD1 LEU 79 -1.640 -16.923 2.355 615 HD13 LEU 79 3HD1 LEU 79 -1.170 -15.250 2.055 616 HD21 LEU 79 3HD2 LEU 79 0.930 -18.468 1.548 617 HD22 LEU 79 1HD2 LEU 79 1.531 -18.263 3.193 618 HD23 LEU 79 2HD2 LEU 79 -0.187 -18.551 2.910 619 H GLY 80 H GLY 80 3.793 -13.693 2.049 620 HA2 GLY 80 2HA GLY 80 5.815 -12.849 1.152 621 HA3 GLY 80 1HA GLY 80 5.854 -14.203 0.036 622 H LYS 81 H LYS 81 3.150 -11.982 0.668 623 HA LYS 81 HA LYS 81 3.211 -11.310 -2.171 624 HB2 LYS 81 1HB LYS 81 1.106 -10.974 -0.050 625 HB3 LYS 81 2HB LYS 81 0.984 -10.199 -1.628 626 HG2 LYS 81 1HG LYS 81 1.379 -12.557 -2.575 627 HG3 LYS 81 2HG LYS 81 0.949 -13.108 -0.953 628 HD2 LYS 81 1HD LYS 81 -1.226 -12.445 -1.156 629 HD3 LYS 81 2HD LYS 81 -0.837 -11.142 -2.284 630 HE2 LYS 81 1HE LYS 81 -0.819 -14.093 -2.914 631 HE3 LYS 81 2HE LYS 81 -2.067 -12.943 -3.393 632 HZ1 LYS 81 3HZ LYS 81 0.417 -11.939 -4.225 633 HZ2 LYS 81 1HZ LYS 81 -0.878 -12.459 -5.183 634 HZ3 LYS 81 2HZ LYS 81 0.324 -13.562 -4.721 635 H ASP 82 H ASP 82 4.631 -10.212 0.497 636 HA ASP 82 HA ASP 82 4.323 -7.376 0.148 637 HB2 ASP 82 1HB ASP 82 6.237 -7.148 1.642 638 HB3 ASP 82 2HB ASP 82 5.089 -8.300 2.307 639 H LYS 83 H LYS 83 6.074 -9.921 -1.339 640 HA LYS 83 HA LYS 83 7.887 -8.076 -2.695 641 HB2 LYS 83 1HB LYS 83 9.028 -10.068 -3.519 642 HB3 LYS 83 2HB LYS 83 8.849 -10.142 -1.772 643 HG2 LYS 83 1HG LYS 83 6.938 -11.643 -2.035 644 HG3 LYS 83 2HG LYS 83 7.139 -11.580 -3.784 645 HD2 LYS 83 1HD LYS 83 9.301 -12.525 -1.917 646 HD3 LYS 83 2HD LYS 83 8.102 -13.607 -2.623 647 HE2 LYS 83 1HE LYS 83 9.884 -13.807 -4.085 648 HE3 LYS 83 2HE LYS 83 8.874 -12.600 -4.877 649 HZ1 LYS 83 3HZ LYS 83 11.512 -12.342 -4.334 650 HZ2 LYS 83 1HZ LYS 83 10.799 -11.466 -3.070 651 HZ3 LYS 83 2HZ LYS 83 10.455 -11.061 -4.682 652 H ASP 84 H ASP 84 4.813 -8.759 -3.152 653 HA ASP 84 HA ASP 84 4.730 -9.600 -5.887 654 HB2 ASP 84 1HB ASP 84 2.744 -8.405 -3.992 655 HB3 ASP 84 2HB ASP 84 2.396 -8.373 -5.716 656 H GLY 85 H GLY 85 3.915 -6.444 -4.460 657 HA2 GLY 85 2HA GLY 85 5.890 -4.983 -5.599 658 HA3 GLY 85 1HA GLY 85 4.663 -5.035 -6.853 659 H CYS 86 H CYS 86 4.523 -2.841 -6.733 660 HA CYS 86 HA CYS 86 3.959 -1.216 -4.567 661 HB2 CYS 86 1HB CYS 86 4.670 -0.484 -6.789 662 HB3 CYS 86 2HB CYS 86 3.144 -1.015 -7.470 663 HA PRO 87 HA PRO 87 -0.180 -2.761 -3.708 664 HB2 PRO 87 1HB PRO 87 -0.492 -1.542 -1.333 665 HB3 PRO 87 2HB PRO 87 0.580 -2.933 -1.536 666 HG2 PRO 87 1HG PRO 87 1.256 -0.019 -1.448 667 HG3 PRO 87 2HG PRO 87 2.063 -1.377 -0.642 668 HD2 PRO 87 1HD PRO 87 2.977 -0.261 -2.949 669 HD3 PRO 87 2HD PRO 87 3.224 -1.970 -2.534 670 H ARG 88 H ARG 88 0.517 -0.053 -5.088 671 HA ARG 88 HA ARG 88 -1.662 1.711 -4.444 672 HB2 ARG 88 1HB ARG 88 0.298 1.410 -6.700 673 HB3 ARG 88 2HB ARG 88 -1.115 2.430 -6.918 674 HG2 ARG 88 1HG ARG 88 0.721 2.819 -4.596 675 HG3 ARG 88 2HG ARG 88 1.078 3.507 -6.182 676 HD2 ARG 88 1HD ARG 88 -1.377 3.987 -4.515 677 HD3 ARG 88 2HD ARG 88 -0.076 5.128 -4.835 678 HE ARG 88 HE ARG 88 -1.041 4.432 -7.304 679 HH11 ARG 88 2HH1 ARG 88 -2.356 5.833 -4.385 680 HH12 ARG 88 1HH1 ARG 88 -3.532 6.798 -5.219 681 HH21 ARG 88 2HH2 ARG 88 -2.580 5.690 -8.416 682 HH22 ARG 88 1HH2 ARG 88 -3.673 6.709 -7.512 683 H ILE 89 H ILE 89 -3.763 1.603 -5.290 684 HA ILE 89 HA ILE 89 -4.357 -0.773 -6.872 685 HB ILE 89 HB ILE 89 -6.163 1.167 -5.462 686 HG12 ILE 89 1HG1 ILE 89 -4.979 -0.522 -4.082 687 HG13 ILE 89 2HG1 ILE 89 -6.721 -0.773 -4.091 688 HG21 ILE 89 1HG2 ILE 89 -6.719 -0.467 -7.741 689 HG22 ILE 89 2HG2 ILE 89 -7.600 -1.097 -6.341 690 HG23 ILE 89 3HG2 ILE 89 -7.811 0.586 -6.832 691 HD11 ILE 89 3HD1 ILE 89 -5.823 -2.323 -6.196 692 HD12 ILE 89 1HD1 ILE 89 -4.590 -2.529 -4.949 693 HD13 ILE 89 2HD1 ILE 89 -6.278 -2.889 -4.586 694 H LEU 90 H LEU 90 -4.457 -0.675 -9.065 695 HA LEU 90 HA LEU 90 -5.697 1.609 -10.318 696 HB2 LEU 90 1HB LEU 90 -3.600 1.630 -11.939 697 HB3 LEU 90 2HB LEU 90 -3.794 2.699 -10.575 698 HG LEU 90 HG LEU 90 -2.310 0.152 -10.163 699 HD11 LEU 90 1HD1 LEU 90 -0.717 0.670 -11.631 700 HD12 LEU 90 2HD1 LEU 90 -1.670 2.057 -12.164 701 HD13 LEU 90 3HD1 LEU 90 -0.515 2.238 -10.839 702 HD21 LEU 90 3HD2 LEU 90 -2.711 2.726 -8.869 703 HD22 LEU 90 1HD2 LEU 90 -2.116 1.206 -8.200 704 HD23 LEU 90 2HD2 LEU 90 -1.007 2.299 -9.026 705 H ASN 91 H ASN 91 -3.651 -1.175 -11.321 706 HA ASN 91 HA ASN 91 -5.509 -2.637 -12.769 707 HB2 ASN 91 1HB ASN 91 -4.919 -0.172 -14.100 708 HB3 ASN 91 2HB ASN 91 -4.196 -1.498 -15.006 709 HD21 ASN 91 1HD2 ASN 91 -7.237 -0.832 -13.307 710 HD22 ASN 91 2HD2 ASN 91 -8.262 -1.443 -14.563 711 H LEU 92 H LEU 92 -4.466 -4.291 -14.112 712 HA LEU 92 HA LEU 92 -1.606 -4.220 -14.425 713 HB2 LEU 92 1HB LEU 92 -1.786 -4.803 -12.060 714 HB3 LEU 92 2HB LEU 92 -2.820 -6.159 -12.462 715 HG LEU 92 HG LEU 92 -0.941 -7.206 -13.681 716 HD11 LEU 92 1HD1 LEU 92 1.002 -5.361 -12.438 717 HD12 LEU 92 2HD1 LEU 92 1.089 -6.257 -13.955 718 HD13 LEU 92 3HD1 LEU 92 0.137 -4.774 -13.860 719 HD21 LEU 92 3HD2 LEU 92 0.541 -7.329 -11.460 720 HD22 LEU 92 1HD2 LEU 92 -0.918 -6.596 -10.790 721 HD23 LEU 92 2HD2 LEU 92 -1.012 -8.147 -11.623 722 H GLY 93 H GLY 93 -4.661 -5.808 -14.839 723 HA2 GLY 93 2HA GLY 93 -5.365 -7.218 -16.533 724 HA3 GLY 93 1HA GLY 93 -3.755 -7.108 -17.237 725 H SER 94 H SER 94 -4.571 -8.073 -13.977 726 HA SER 94 HA SER 94 -4.330 -10.869 -14.389 727 HB2 SER 94 1HB SER 94 -1.949 -10.204 -14.689 728 HB3 SER 94 2HB SER 94 -1.973 -9.488 -13.080 729 HG SER 94 HG SER 94 -2.823 -11.861 -12.640 730 H ASN 95 H ASN 95 -6.254 -9.338 -13.186 731 HA ASN 95 HA ASN 95 -5.862 -9.041 -10.385 732 HB2 ASN 95 1HB ASN 95 -7.598 -7.782 -11.622 733 HB3 ASN 95 2HB ASN 95 -8.467 -9.286 -11.912 734 HD21 ASN 95 1HD2 ASN 95 -10.164 -9.453 -10.663 735 HD22 ASN 95 2HD2 ASN 95 -10.278 -8.934 -9.015 736 H ARG 96 H ARG 96 -5.970 -10.465 -8.815 737 HA ARG 96 HA ARG 96 -7.503 -12.902 -9.127 738 HB2 ARG 96 1HB ARG 96 -5.308 -14.043 -8.048 739 HB3 ARG 96 2HB ARG 96 -5.673 -14.063 -9.765 740 HG2 ARG 96 1HG ARG 96 -3.439 -13.430 -9.676 741 HG3 ARG 96 2HG ARG 96 -4.292 -11.898 -9.881 742 HD2 ARG 96 1HD ARG 96 -2.736 -11.462 -8.198 743 HD3 ARG 96 2HD ARG 96 -4.251 -11.756 -7.336 744 HE ARG 96 HE ARG 96 -3.337 -13.644 -6.405 745 HH11 ARG 96 2HH1 ARG 96 -1.259 -12.569 -9.030 746 HH12 ARG 96 1HH1 ARG 96 -0.031 -13.758 -8.701 747 HH21 ARG 96 2HH2 ARG 96 -1.733 -15.217 -5.999 748 HH22 ARG 96 1HH2 ARG 96 -0.309 -15.269 -7.002 749 H LEU 97 H LEU 97 -5.386 -13.437 -6.664 750 HA LEU 97 HA LEU 97 -5.369 -13.149 -4.412 751 HB2 LEU 97 1HB LEU 97 -7.238 -10.835 -4.942 752 HB3 LEU 97 2HB LEU 97 -6.544 -11.226 -3.379 753 HG LEU 97 HG LEU 97 -4.940 -10.463 -5.821 754 HD11 LEU 97 1HD1 LEU 97 -6.505 -8.815 -4.225 755 HD12 LEU 97 2HD1 LEU 97 -4.868 -8.628 -3.594 756 HD13 LEU 97 3HD1 LEU 97 -5.194 -8.318 -5.298 757 HD21 LEU 97 3HD2 LEU 97 -3.071 -10.812 -4.626 758 HD22 LEU 97 1HD2 LEU 97 -3.799 -10.236 -3.126 759 HD23 LEU 97 2HD2 LEU 97 -4.096 -11.886 -3.672 760 H ASP 98 H ASP 98 -6.444 -14.056 -2.726 761 HA ASP 98 HA ASP 98 -9.269 -14.773 -3.160 762 HB2 ASP 98 1HB ASP 98 -6.989 -16.594 -2.405 763 HB3 ASP 98 2HB ASP 98 -8.661 -17.002 -2.030 764 H ARG 99 H ARG 99 -9.058 -12.710 -1.712 765 HA ARG 99 HA ARG 99 -8.407 -13.075 1.031 766 HB2 ARG 99 1HB ARG 99 -9.571 -10.948 1.395 767 HB3 ARG 99 2HB ARG 99 -8.456 -10.845 0.037 768 HG2 ARG 99 1HG ARG 99 -10.310 -11.152 -1.505 769 HG3 ARG 99 2HG ARG 99 -11.423 -11.248 -0.145 770 HD2 ARG 99 1HD ARG 99 -10.909 -8.965 0.479 771 HD3 ARG 99 2HD ARG 99 -9.696 -8.865 -0.798 772 HE ARG 99 HE ARG 99 -12.134 -9.579 -1.958 773 HH11 ARG 99 2HH1 ARG 99 -10.746 -6.845 -0.289 774 HH12 ARG 99 1HH1 ARG 99 -11.662 -5.667 -1.181 775 HH21 ARG 99 2HH2 ARG 99 -13.359 -8.057 -3.111 776 HH22 ARG 99 1HH2 ARG 99 -13.193 -6.363 -2.756 777 H HIS 100 H HIS 100 -9.670 -13.664 2.734 778 HA HIS 100 HA HIS 100 -12.508 -13.996 2.434 779 HB2 HIS 100 1HB HIS 100 -12.540 -16.411 2.968 780 HB3 HIS 100 2HB HIS 100 -11.820 -16.077 1.402 781 HD1 HIS 100 HD1 HIS 100 -9.039 -16.035 1.506 782 HD2 HIS 100 HD2 HIS 100 -11.086 -18.099 4.479 783 HE1 HIS 100 HE1 HIS 100 -7.346 -17.567 2.558 784 HE2 HIS 100 HE2 HIS 100 -8.659 -18.952 4.208 785 H PHE 101 H PHE 101 -11.412 -12.306 4.057 786 HA PHE 101 HA PHE 101 -11.288 -13.558 6.718 787 HB2 PHE 101 1HB PHE 101 -10.607 -10.741 5.840 788 HB3 PHE 101 2HB PHE 101 -10.555 -11.306 7.503 789 HD1 PHE 101 HD2 PHE 101 -9.186 -12.272 4.156 790 HD2 PHE 101 HD1 PHE 101 -8.515 -11.886 8.341 791 HE1 PHE 101 HE2 PHE 101 -6.842 -12.948 3.838 792 HE2 PHE 101 HE1 PHE 101 -6.166 -12.548 8.029 793 HZ PHE 101 HZ PHE 101 -5.328 -13.085 5.776 794 H GLU 102 H GLU 102 -13.730 -13.592 5.418 795 HA GLU 102 HA GLU 102 -15.248 -11.304 6.401 796 HB2 GLU 102 1HB GLU 102 -16.099 -13.630 4.665 797 HB3 GLU 102 2HB GLU 102 -17.092 -12.230 5.057 798 HG2 GLU 102 1HG GLU 102 -14.513 -12.194 3.510 799 HG3 GLU 102 2HG GLU 102 -16.134 -12.042 2.836 800 H LYS 103 H LYS 103 -14.204 -13.073 8.341 801 HA LYS 103 HA LYS 103 -16.561 -14.501 9.348 802 HB2 LYS 103 1HB LYS 103 -13.680 -14.461 10.295 803 HB3 LYS 103 2HB LYS 103 -14.969 -15.298 11.140 804 HG2 LYS 103 1HG LYS 103 -13.940 -16.972 9.924 805 HG3 LYS 103 2HG LYS 103 -15.339 -16.552 8.938 806 HD2 LYS 103 1HD LYS 103 -13.871 -15.087 7.575 807 HD3 LYS 103 2HD LYS 103 -12.490 -15.656 8.514 808 HE2 LYS 103 1HE LYS 103 -14.328 -17.384 6.862 809 HE3 LYS 103 2HE LYS 103 -12.717 -16.853 6.384 810 HZ1 LYS 103 3HZ LYS 103 -12.805 -19.136 7.289 811 HZ2 LYS 103 1HZ LYS 103 -13.276 -18.504 8.792 812 HZ3 LYS 103 2HZ LYS 103 -11.755 -18.117 8.146 813 H LYS 104 H LYS 104 -16.254 -14.206 12.082 814 HA LYS 104 HA LYS 104 -17.102 -11.508 12.502 815 HB2 LYS 104 1HB LYS 104 -17.192 -12.072 14.880 816 HB3 LYS 104 2HB LYS 104 -17.991 -13.290 13.910 817 HG2 LYS 104 1HG LYS 104 -16.870 -14.587 15.417 818 HG3 LYS 104 2HG LYS 104 -15.706 -14.538 14.096 819 HD2 LYS 104 1HD LYS 104 -14.666 -14.205 16.311 820 HD3 LYS 104 2HD LYS 104 -14.425 -12.832 15.232 821 HE2 LYS 104 1HE LYS 104 -14.980 -12.155 17.540 822 HE3 LYS 104 2HE LYS 104 -16.157 -11.585 16.364 823 HZ1 LYS 104 3HZ LYS 104 -17.009 -14.082 17.295 824 HZ2 LYS 104 1HZ LYS 104 -17.731 -12.566 17.537 825 HZ3 LYS 104 2HZ LYS 104 -16.589 -13.150 18.647 826 H LYS 105 H LYS 105 -14.120 -13.262 12.765 827 HA LYS 105 HA LYS 105 -12.658 -11.028 13.887 828 HB2 LYS 105 1HB LYS 105 -11.910 -13.763 12.915 829 HB3 LYS 105 2HB LYS 105 -10.670 -12.531 13.102 830 HG2 LYS 105 1HG LYS 105 -12.521 -13.480 15.280 831 HG3 LYS 105 2HG LYS 105 -10.845 -13.990 15.061 832 HD2 LYS 105 1HD LYS 105 -11.797 -11.180 15.619 833 HD3 LYS 105 2HD LYS 105 -11.004 -12.257 16.768 834 HE2 LYS 105 1HE LYS 105 -9.000 -12.275 15.361 835 HE3 LYS 105 2HE LYS 105 -9.794 -11.196 14.216 836 HZ1 LYS 105 3HZ LYS 105 -9.540 -9.412 15.569 837 HZ2 LYS 105 1HZ LYS 105 -8.216 -10.316 16.129 838 HZ3 LYS 105 2HZ LYS 105 -9.671 -10.320 16.998 839 H LYS 106 H LYS 106 -11.722 -9.475 12.768 840 HA LYS 106 HA LYS 106 -10.805 -9.818 10.094 841 HB2 LYS 106 1HB LYS 106 -13.294 -9.330 9.830 842 HB3 LYS 106 2HB LYS 106 -12.944 -7.731 10.470 843 HG2 LYS 106 1HG LYS 106 -11.452 -7.287 8.609 844 HG3 LYS 106 2HG LYS 106 -11.726 -8.914 7.983 845 HD2 LYS 106 1HD LYS 106 -14.171 -8.331 7.844 846 HD3 LYS 106 2HD LYS 106 -13.716 -6.665 8.211 847 HE2 LYS 106 1HE LYS 106 -13.937 -6.941 5.818 848 HE3 LYS 106 2HE LYS 106 -12.247 -6.657 6.233 849 HZ1 LYS 106 3HZ LYS 106 -13.449 -8.917 4.955 850 HZ2 LYS 106 1HZ LYS 106 -12.531 -9.379 6.305 851 HZ3 LYS 106 2HZ LYS 106 -11.812 -8.483 5.061 852 H VAL 107 H VAL 107 -11.555 -7.812 12.750 853 HA VAL 107 HA VAL 107 -9.213 -6.109 12.245 854 HB VAL 107 HB VAL 107 -11.410 -5.717 14.291 855 HG11 VAL 107 1HG1 VAL 107 -9.619 -3.512 13.453 856 HG12 VAL 107 2HG1 VAL 107 -10.359 -3.840 15.020 857 HG13 VAL 107 3HG1 VAL 107 -8.936 -4.750 14.509 858 HG21 VAL 107 3HG2 VAL 107 -11.988 -5.475 11.794 859 HG22 VAL 107 1HG2 VAL 107 -12.422 -4.160 12.887 860 HG23 VAL 107 2HG2 VAL 107 -10.997 -4.017 11.859 Start of MODEL 10 1 H1 GLY -1 1H GLY -1 -3.925 0.183 -17.808 2 H2 GLY -1 2H GLY -1 -3.473 -0.656 -16.406 3 H3 GLY -1 3H GLY -1 -5.103 -0.288 -16.685 4 HA2 GLY -1 1HA GLY -1 -5.030 -1.703 -18.700 5 HA3 GLY -1 2HA GLY -1 -3.413 -2.191 -18.204 6 H GLY 0 H GLY 0 -5.992 -3.705 -18.487 7 HA2 GLY 0 2HA GLY 0 -5.672 -5.510 -16.398 8 HA3 GLY 0 1HA GLY 0 -6.912 -4.377 -15.875 9 H SER 1 H SER 1 -7.973 -3.891 -18.484 10 HA SER 1 HA SER 1 -9.607 -4.636 -19.862 11 HB2 SER 1 1HB SER 1 -7.641 -6.027 -20.660 12 HB3 SER 1 2HB SER 1 -8.278 -7.347 -19.682 13 HG SER 1 HG SER 1 -9.921 -7.603 -21.036 14 H SER 2 H SER 2 -10.032 -4.761 -17.005 15 HA SER 2 HA SER 2 -11.556 -5.456 -15.470 16 HB2 SER 2 1HB SER 2 -13.181 -6.335 -17.859 17 HB3 SER 2 2HB SER 2 -13.774 -5.742 -16.307 18 HG SER 2 HG SER 2 -13.406 -3.733 -16.905 19 H ARG 3 H ARG 3 -9.560 -7.432 -16.197 20 HA ARG 3 HA ARG 3 -10.851 -9.985 -16.360 21 HB2 ARG 3 1HB ARG 3 -8.005 -9.153 -15.836 22 HB3 ARG 3 2HB ARG 3 -8.520 -10.833 -15.786 23 HG2 ARG 3 1HG ARG 3 -8.730 -9.003 -18.165 24 HG3 ARG 3 2HG ARG 3 -7.528 -10.276 -17.930 25 HD2 ARG 3 1HD ARG 3 -10.506 -10.601 -18.230 26 HD3 ARG 3 2HD ARG 3 -9.260 -11.124 -19.360 27 HE ARG 3 HE ARG 3 -10.231 -12.554 -17.111 28 HH11 ARG 3 2HH1 ARG 3 -7.294 -11.979 -18.955 29 HH12 ARG 3 1HH1 ARG 3 -6.527 -13.439 -18.409 30 HH21 ARG 3 2HH2 ARG 3 -9.217 -14.472 -16.407 31 HH22 ARG 3 1HH2 ARG 3 -7.615 -14.857 -16.972 32 H HIS 4 H HIS 4 -11.166 -11.491 -14.777 33 HA HIS 4 HA HIS 4 -11.507 -10.496 -12.096 34 HB2 HIS 4 1HB HIS 4 -11.897 -13.235 -13.309 35 HB3 HIS 4 2HB HIS 4 -12.198 -12.880 -11.615 36 HD1 HIS 4 HD1 HIS 4 -14.619 -13.817 -12.482 37 HD2 HIS 4 HD2 HIS 4 -13.506 -9.983 -13.646 38 HE1 HIS 4 HE1 HIS 4 -16.745 -12.683 -13.207 39 HE2 HIS 4 HE2 HIS 4 -16.008 -10.453 -14.120 40 H GLN 5 H GLN 5 -8.955 -10.090 -12.413 41 HA GLN 5 HA GLN 5 -7.236 -12.273 -11.819 42 HB2 GLN 5 1HB GLN 5 -6.802 -9.325 -11.329 43 HB3 GLN 5 2HB GLN 5 -5.556 -10.566 -11.364 44 HG2 GLN 5 1HG GLN 5 -5.948 -10.966 -13.698 45 HG3 GLN 5 2HG GLN 5 -7.315 -9.852 -13.695 46 HE21 GLN 5 1HE2 GLN 5 -6.939 -7.843 -14.262 47 HE22 GLN 5 2HE2 GLN 5 -5.385 -7.086 -14.343 48 H PHE 6 H PHE 6 -6.367 -12.922 -9.860 49 HA PHE 6 HA PHE 6 -8.090 -12.725 -7.620 50 HB2 PHE 6 1HB PHE 6 -6.737 -14.692 -8.134 51 HB3 PHE 6 2HB PHE 6 -5.268 -13.799 -7.772 52 HD1 PHE 6 HD1 PHE 6 -8.548 -14.093 -6.016 53 HD2 PHE 6 HD2 PHE 6 -4.330 -14.629 -5.865 54 HE1 PHE 6 HE1 PHE 6 -8.727 -14.778 -3.658 55 HE2 PHE 6 HE2 PHE 6 -4.499 -15.312 -3.506 56 HZ PHE 6 HZ PHE 6 -6.699 -15.388 -2.400 57 H ASP 7 H ASP 7 -8.073 -10.414 -7.589 58 HA ASP 7 HA ASP 7 -7.612 -8.375 -6.722 59 HB2 ASP 7 1HB ASP 7 -6.043 -9.947 -4.675 60 HB3 ASP 7 2HB ASP 7 -6.484 -8.249 -4.536 61 H LEU 8 H LEU 8 -5.904 -9.549 -8.715 62 HA LEU 8 HA LEU 8 -3.322 -8.273 -8.213 63 HB2 LEU 8 1HB LEU 8 -4.273 -9.799 -10.638 64 HB3 LEU 8 2HB LEU 8 -2.638 -9.232 -10.349 65 HG LEU 8 HG LEU 8 -4.063 -11.245 -8.629 66 HD11 LEU 8 1HD1 LEU 8 -3.509 -11.904 -11.042 67 HD12 LEU 8 2HD1 LEU 8 -1.829 -11.867 -10.508 68 HD13 LEU 8 3HD1 LEU 8 -2.977 -12.961 -9.734 69 HD21 LEU 8 3HD2 LEU 8 -2.048 -9.705 -7.842 70 HD22 LEU 8 1HD2 LEU 8 -2.201 -11.393 -7.349 71 HD23 LEU 8 2HD2 LEU 8 -1.121 -10.955 -8.673 72 H ILE 9 H ILE 9 -5.339 -6.551 -8.100 73 HA ILE 9 HA ILE 9 -5.258 -5.117 -10.643 74 HB ILE 9 HB ILE 9 -7.339 -5.181 -8.460 75 HG12 ILE 9 1HG1 ILE 9 -8.864 -5.450 -10.492 76 HG13 ILE 9 2HG1 ILE 9 -7.395 -5.696 -11.426 77 HG21 ILE 9 1HG2 ILE 9 -8.273 -3.393 -10.382 78 HG22 ILE 9 2HG2 ILE 9 -7.817 -3.049 -8.713 79 HG23 ILE 9 3HG2 ILE 9 -6.626 -2.881 -10.003 80 HD11 ILE 9 3HD1 ILE 9 -7.066 -7.766 -10.609 81 HD12 ILE 9 1HD1 ILE 9 -7.720 -7.369 -9.019 82 HD13 ILE 9 2HD1 ILE 9 -8.813 -7.684 -10.368 83 H MET 10 H MET 10 -3.578 -5.480 -8.293 84 HA MET 10 HA MET 10 -3.146 -2.691 -7.538 85 HB2 MET 10 1HB MET 10 -1.332 -3.741 -6.016 86 HB3 MET 10 2HB MET 10 -3.018 -3.803 -5.537 87 HG2 MET 10 1HG MET 10 -3.187 -6.094 -6.226 88 HG3 MET 10 2HG MET 10 -1.551 -6.050 -6.885 89 HE1 MET 10 3HE MET 10 -3.524 -5.253 -3.549 90 HE2 MET 10 1HE MET 10 -2.199 -5.295 -2.384 91 HE3 MET 10 2HE MET 10 -2.233 -4.056 -3.636 92 H CYS 11 H CYS 11 -1.340 -1.691 -7.911 93 HA CYS 11 HA CYS 11 -0.207 -1.689 -10.319 94 HB2 CYS 11 1HB CYS 11 -0.124 -0.076 -8.337 95 HB3 CYS 11 2HB CYS 11 1.305 -0.953 -7.821 96 H LEU 12 H LEU 12 1.492 -2.950 -7.478 97 HA LEU 12 HA LEU 12 3.239 -4.334 -7.179 98 HB2 LEU 12 1HB LEU 12 1.806 -5.817 -9.370 99 HB3 LEU 12 2HB LEU 12 2.991 -6.514 -8.277 100 HG LEU 12 HG LEU 12 0.311 -5.365 -7.494 101 HD11 LEU 12 1HD1 LEU 12 0.759 -7.765 -8.610 102 HD12 LEU 12 2HD1 LEU 12 1.014 -8.153 -6.908 103 HD13 LEU 12 3HD1 LEU 12 -0.514 -7.445 -7.432 104 HD21 LEU 12 3HD2 LEU 12 1.805 -4.900 -5.715 105 HD22 LEU 12 1HD2 LEU 12 0.899 -6.339 -5.252 106 HD23 LEU 12 2HD2 LEU 12 2.555 -6.492 -5.838 107 H LYS 13 H LYS 13 3.819 -2.207 -9.038 108 HA LYS 13 HA LYS 13 5.741 -3.335 -10.897 109 HB2 LYS 13 1HB LYS 13 5.472 -0.459 -10.002 110 HB3 LYS 13 2HB LYS 13 6.301 -1.055 -11.432 111 HG2 LYS 13 1HG LYS 13 4.228 -1.673 -12.448 112 HG3 LYS 13 2HG LYS 13 3.330 -1.282 -10.981 113 HD2 LYS 13 1HD LYS 13 3.009 0.571 -12.335 114 HD3 LYS 13 2HD LYS 13 4.350 1.072 -11.310 115 HE2 LYS 13 1HE LYS 13 4.749 1.645 -13.608 116 HE3 LYS 13 2HE LYS 13 5.899 0.444 -13.067 117 HZ1 LYS 13 3HZ LYS 13 5.108 -1.080 -14.494 118 HZ2 LYS 13 1HZ LYS 13 4.542 0.275 -15.344 119 HZ3 LYS 13 2HZ LYS 13 3.495 -0.582 -14.317 120 H GLN 14 H GLN 14 8.029 -2.039 -10.579 121 HA GLN 14 HA GLN 14 9.180 -3.145 -8.219 122 HB2 GLN 14 1HB GLN 14 10.288 -2.651 -10.495 123 HB3 GLN 14 2HB GLN 14 10.452 -1.004 -9.921 124 HG2 GLN 14 1HG GLN 14 11.460 -3.217 -8.212 125 HG3 GLN 14 2HG GLN 14 12.370 -2.788 -9.651 126 HE21 GLN 14 1HE2 GLN 14 10.998 0.041 -8.699 127 HE22 GLN 14 2HE2 GLN 14 12.265 0.637 -7.688 128 HA PRO 15 HA PRO 15 7.856 0.265 -5.662 129 HB2 PRO 15 1HB PRO 15 9.073 -1.156 -3.451 130 HB3 PRO 15 2HB PRO 15 7.367 -0.845 -3.765 131 HG2 PRO 15 1HG PRO 15 8.483 -3.321 -3.921 132 HG3 PRO 15 2HG PRO 15 7.076 -2.823 -4.877 133 HD2 PRO 15 1HD PRO 15 9.946 -3.038 -5.692 134 HD3 PRO 15 2HD PRO 15 8.479 -3.451 -6.604 135 H GLY 16 H GLY 16 8.791 2.065 -4.892 136 HA2 GLY 16 2HA GLY 16 11.716 2.210 -4.878 137 HA3 GLY 16 1HA GLY 16 10.609 3.574 -4.784 138 H VAL 17 H VAL 17 11.471 4.482 -2.934 139 HA VAL 17 HA VAL 17 11.324 2.822 -0.501 140 HB VAL 17 HB VAL 17 12.693 4.526 0.610 141 HG11 VAL 17 1HG1 VAL 17 13.547 2.875 -1.599 142 HG12 VAL 17 2HG1 VAL 17 14.608 4.270 -1.393 143 HG13 VAL 17 3HG1 VAL 17 14.326 3.169 -0.044 144 HG21 VAL 17 3HG2 VAL 17 12.190 6.556 -0.424 145 HG22 VAL 17 1HG2 VAL 17 13.840 6.216 -0.948 146 HG23 VAL 17 2HG2 VAL 17 12.487 5.916 -2.041 147 H GLN 18 H GLN 18 9.570 4.999 -2.244 148 HA GLN 18 HA GLN 18 8.538 6.765 -0.313 149 HB2 GLN 18 1HB GLN 18 6.937 5.686 -2.625 150 HB3 GLN 18 2HB GLN 18 6.829 7.269 -1.871 151 HG2 GLN 18 1HG GLN 18 9.174 6.294 -3.480 152 HG3 GLN 18 2HG GLN 18 7.863 7.289 -4.102 153 HE21 GLN 18 1HE2 GLN 18 8.222 9.359 -4.163 154 HE22 GLN 18 2HE2 GLN 18 9.371 10.229 -3.204 155 H THR 19 H THR 19 7.091 6.503 1.262 156 HA THR 19 HA THR 19 6.224 3.839 1.894 157 HB THR 19 HB THR 19 5.266 6.253 3.388 158 HG1 THR 19 HG1 THR 19 7.922 5.189 3.354 159 HG21 THR 19 1HG2 THR 19 4.544 4.522 4.632 160 HG22 THR 19 2HG2 THR 19 6.222 4.398 5.159 161 HG23 THR 19 3HG2 THR 19 5.632 3.380 3.843 162 H GLY 20 H GLY 20 4.204 2.972 1.797 163 HA2 GLY 20 2HA GLY 20 2.297 4.258 0.052 164 HA3 GLY 20 1HA GLY 20 2.130 2.677 0.795 165 H LEU 21 H LEU 21 0.661 5.514 0.623 166 HA LEU 21 HA LEU 21 0.047 5.778 3.460 167 HB2 LEU 21 1HB LEU 21 -0.501 7.553 1.095 168 HB3 LEU 21 2HB LEU 21 -1.135 7.865 2.698 169 HG LEU 21 HG LEU 21 1.794 7.735 1.984 170 HD11 LEU 21 1HD1 LEU 21 0.477 10.198 2.948 171 HD12 LEU 21 2HD1 LEU 21 1.823 9.996 1.825 172 HD13 LEU 21 3HD1 LEU 21 0.170 9.718 1.281 173 HD21 LEU 21 3HD2 LEU 21 2.242 7.679 4.159 174 HD22 LEU 21 1HD2 LEU 21 1.139 9.020 4.468 175 HD23 LEU 21 2HD2 LEU 21 0.530 7.364 4.448 176 H LEU 22 H LEU 22 -1.967 5.708 4.305 177 HA LEU 22 HA LEU 22 -4.136 4.677 2.593 178 HB2 LEU 22 1HB LEU 22 -3.680 4.293 5.560 179 HB3 LEU 22 2HB LEU 22 -5.113 3.768 4.696 180 HG LEU 22 HG LEU 22 -2.312 2.743 4.300 181 HD11 LEU 22 1HD1 LEU 22 -4.164 2.121 6.258 182 HD12 LEU 22 2HD1 LEU 22 -4.384 0.855 5.047 183 HD13 LEU 22 3HD1 LEU 22 -2.794 1.126 5.760 184 HD21 LEU 22 3HD2 LEU 22 -2.967 1.989 2.323 185 HD22 LEU 22 1HD2 LEU 22 -4.260 1.081 3.108 186 HD23 LEU 22 2HD2 LEU 22 -4.554 2.726 2.546 187 H CYS 23 H CYS 23 -5.954 5.884 2.518 188 HA CYS 23 HA CYS 23 -6.066 8.405 3.904 189 HB2 CYS 23 1HB CYS 23 -8.023 8.854 2.697 190 HB3 CYS 23 2HB CYS 23 -7.107 7.843 1.585 191 H GLU 24 H GLU 24 -7.820 8.925 5.415 192 HA GLU 24 HA GLU 24 -7.891 7.238 7.596 193 HB2 GLU 24 1HB GLU 24 -9.936 9.323 6.827 194 HB3 GLU 24 2HB GLU 24 -9.748 8.628 8.432 195 HG2 GLU 24 1HG GLU 24 -7.441 9.525 8.499 196 HG3 GLU 24 2HG GLU 24 -7.742 10.314 6.952 197 H LYS 25 H LYS 25 -9.927 7.188 4.795 198 HA LYS 25 HA LYS 25 -12.036 5.631 5.925 199 HB2 LYS 25 1HB LYS 25 -11.322 6.084 3.029 200 HB3 LYS 25 2HB LYS 25 -12.846 5.451 3.634 201 HG2 LYS 25 1HG LYS 25 -13.382 7.540 4.669 202 HG3 LYS 25 2HG LYS 25 -11.779 8.185 4.302 203 HD2 LYS 25 1HD LYS 25 -13.446 9.042 2.739 204 HD3 LYS 25 2HD LYS 25 -12.261 8.031 1.911 205 HE2 LYS 25 1HE LYS 25 -13.858 6.137 2.050 206 HE3 LYS 25 2HE LYS 25 -15.048 7.238 2.743 207 HZ1 LYS 25 3HZ LYS 25 -15.033 6.757 0.210 208 HZ2 LYS 25 1HZ LYS 25 -13.792 7.910 0.174 209 HZ3 LYS 25 2HZ LYS 25 -15.326 8.330 0.766 210 H CYS 26 H CYS 26 -8.937 4.822 4.553 211 HA CYS 26 HA CYS 26 -9.732 1.984 4.614 212 HB2 CYS 26 1HB CYS 26 -7.459 3.032 2.933 213 HB3 CYS 26 2HB CYS 26 -8.221 1.452 2.856 214 H ASP 27 H ASP 27 -8.539 4.010 6.535 215 HA ASP 27 HA ASP 27 -5.830 3.350 6.951 216 HB2 ASP 27 1HB ASP 27 -6.968 5.411 7.805 217 HB3 ASP 27 2HB ASP 27 -7.786 4.409 8.999 218 H GLY 28 H GLY 28 -4.904 1.715 7.948 219 HA2 GLY 28 2HA GLY 28 -4.657 0.089 9.639 220 HA3 GLY 28 1HA GLY 28 -6.389 0.159 9.925 221 H LYS 29 H LYS 29 -6.748 -0.042 6.917 222 HA LYS 29 HA LYS 29 -7.087 -2.881 6.865 223 HB2 LYS 29 1HB LYS 29 -7.428 -0.840 4.657 224 HB3 LYS 29 2HB LYS 29 -7.987 -2.506 4.608 225 HG2 LYS 29 1HG LYS 29 -9.542 -2.073 6.410 226 HG3 LYS 29 2HG LYS 29 -8.941 -0.419 6.557 227 HD2 LYS 29 1HD LYS 29 -9.733 0.116 4.346 228 HD3 LYS 29 2HD LYS 29 -10.192 -1.562 4.064 229 HE2 LYS 29 1HE LYS 29 -12.150 -0.234 4.584 230 HE3 LYS 29 2HE LYS 29 -11.849 -1.407 5.863 231 HZ1 LYS 29 3HZ LYS 29 -10.861 0.347 7.195 232 HZ2 LYS 29 1HZ LYS 29 -12.442 0.752 6.750 233 HZ3 LYS 29 2HZ LYS 29 -11.134 1.477 5.961 234 H CYS 30 H CYS 30 -5.818 -4.396 5.960 235 HA CYS 30 HA CYS 30 -3.228 -3.734 4.916 236 HB2 CYS 30 1HB CYS 30 -3.478 -5.818 6.097 237 HB3 CYS 30 2HB CYS 30 -4.797 -6.317 5.047 238 HA PRO 31 HA PRO 31 -4.789 -2.638 0.893 239 HB2 PRO 31 1HB PRO 31 -2.333 -2.831 -0.391 240 HB3 PRO 31 2HB PRO 31 -2.949 -1.400 0.437 241 HG2 PRO 31 1HG PRO 31 -1.052 -3.489 1.413 242 HG3 PRO 31 2HG PRO 31 -1.029 -1.736 1.682 243 HD2 PRO 31 1HD PRO 31 -1.858 -3.414 3.592 244 HD3 PRO 31 2HD PRO 31 -2.654 -1.846 3.340 245 H ILE 32 H ILE 32 -2.681 -5.425 1.337 246 HA ILE 32 HA ILE 32 -3.093 -6.522 -1.219 247 HB ILE 32 HB ILE 32 -2.295 -8.008 1.283 248 HG12 ILE 32 1HG1 ILE 32 -0.887 -5.963 0.705 249 HG13 ILE 32 2HG1 ILE 32 -0.025 -7.493 0.810 250 HG21 ILE 32 1HG2 ILE 32 -2.966 -9.439 -0.590 251 HG22 ILE 32 2HG2 ILE 32 -1.788 -8.629 -1.624 252 HG23 ILE 32 3HG2 ILE 32 -1.242 -9.581 -0.244 253 HD11 ILE 32 3HD1 ILE 32 0.544 -7.466 -1.357 254 HD12 ILE 32 1HD1 ILE 32 -0.995 -6.771 -1.867 255 HD13 ILE 32 2HD1 ILE 32 0.261 -5.732 -1.195 256 H CYS 33 H CYS 33 -4.632 -7.301 1.910 257 HA CYS 33 HA CYS 33 -6.465 -9.047 0.409 258 HB2 CYS 33 1HB CYS 33 -6.518 -10.519 2.326 259 HB3 CYS 33 2HB CYS 33 -4.846 -10.222 1.861 260 H ASP 34 H ASP 34 -6.435 -6.242 2.238 261 HA ASP 34 HA ASP 34 -8.015 -4.984 3.269 262 HB2 ASP 34 1HB ASP 34 -9.340 -5.282 1.249 263 HB3 ASP 34 2HB ASP 34 -9.929 -6.836 1.831 264 H SER 35 H SER 35 -7.161 -5.835 5.236 265 HA SER 35 HA SER 35 -9.139 -7.120 6.894 266 HB2 SER 35 1HB SER 35 -8.071 -9.065 5.829 267 HB3 SER 35 2HB SER 35 -6.489 -8.484 6.344 268 HG SER 35 HG SER 35 -8.280 -9.958 7.698 269 H TYR 36 H TYR 36 -8.800 -6.745 9.066 270 HA TYR 36 HA TYR 36 -6.693 -4.811 9.688 271 HB2 TYR 36 1HB TYR 36 -9.235 -5.625 11.077 272 HB3 TYR 36 2HB TYR 36 -7.993 -4.705 11.916 273 HD1 TYR 36 HD1 TYR 36 -10.017 -4.598 8.777 274 HD2 TYR 36 HD2 TYR 36 -8.105 -2.411 11.884 275 HE1 TYR 36 HE1 TYR 36 -10.970 -2.512 7.890 276 HE2 TYR 36 HE2 TYR 36 -9.049 -0.321 11.002 277 HH TYR 36 HH TYR 36 -10.488 0.589 9.554 278 H VAL 37 H VAL 37 -6.142 -7.738 9.397 279 HA VAL 37 HA VAL 37 -5.579 -8.651 12.072 280 HB VAL 37 HB VAL 37 -6.028 -10.154 10.045 281 HG11 VAL 37 1HG1 VAL 37 -4.603 -10.309 8.360 282 HG12 VAL 37 2HG1 VAL 37 -3.839 -8.853 8.994 283 HG13 VAL 37 3HG1 VAL 37 -3.216 -10.440 9.444 284 HG21 VAL 37 3HG2 VAL 37 -4.787 -11.949 10.967 285 HG22 VAL 37 1HG2 VAL 37 -3.572 -10.857 11.634 286 HG23 VAL 37 2HG2 VAL 37 -5.203 -10.877 12.304 287 H ARG 38 H ARG 38 -3.227 -9.309 12.587 288 HA ARG 38 HA ARG 38 -1.823 -7.049 13.115 289 HB2 ARG 38 1HB ARG 38 -0.671 -9.812 12.750 290 HB3 ARG 38 2HB ARG 38 0.173 -8.475 13.512 291 HG2 ARG 38 1HG ARG 38 -2.028 -8.481 15.006 292 HG3 ARG 38 2HG ARG 38 -2.000 -10.179 14.526 293 HD2 ARG 38 1HD ARG 38 -0.781 -10.108 16.529 294 HD3 ARG 38 2HD ARG 38 0.442 -10.181 15.261 295 HE ARG 38 HE ARG 38 -0.123 -7.954 17.053 296 HH11 ARG 38 2HH1 ARG 38 1.694 -9.097 14.264 297 HH12 ARG 38 1HH1 ARG 38 2.698 -7.681 14.190 298 HH21 ARG 38 2HH2 ARG 38 1.215 -6.090 16.940 299 HH22 ARG 38 1HH2 ARG 38 2.411 -5.970 15.677 300 HA PRO 39 HA PRO 39 0.271 -5.955 9.307 301 HB2 PRO 39 1HB PRO 39 1.652 -3.936 10.823 302 HB3 PRO 39 2HB PRO 39 0.353 -3.718 9.650 303 HG2 PRO 39 1HG PRO 39 0.099 -3.229 12.339 304 HG3 PRO 39 2HG PRO 39 -1.253 -3.623 11.262 305 HD2 PRO 39 1HD PRO 39 0.233 -5.391 13.166 306 HD3 PRO 39 2HD PRO 39 -1.504 -5.339 12.794 307 H LYS 40 H LYS 40 2.509 -5.984 8.608 308 HA LYS 40 HA LYS 40 4.407 -7.044 10.583 309 HB2 LYS 40 1HB LYS 40 3.035 -8.828 9.280 310 HB3 LYS 40 2HB LYS 40 4.068 -8.402 7.926 311 HG2 LYS 40 1HG LYS 40 5.201 -9.234 10.575 312 HG3 LYS 40 2HG LYS 40 4.723 -10.409 9.350 313 HD2 LYS 40 1HD LYS 40 6.256 -9.333 7.751 314 HD3 LYS 40 2HD LYS 40 6.761 -8.208 9.015 315 HE2 LYS 40 1HE LYS 40 7.543 -10.103 10.366 316 HE3 LYS 40 2HE LYS 40 7.067 -11.208 9.077 317 HZ1 LYS 40 3HZ LYS 40 9.175 -10.945 8.423 318 HZ2 LYS 40 1HZ LYS 40 9.387 -9.495 9.277 319 HZ3 LYS 40 2HZ LYS 40 8.635 -9.481 7.757 320 H ARG 41 H ARG 41 4.003 -6.110 7.159 321 HA ARG 41 HA ARG 41 6.726 -4.980 7.278 322 HB2 ARG 41 1HB ARG 41 6.744 -6.912 5.852 323 HB3 ARG 41 2HB ARG 41 5.303 -6.372 5.008 324 HG2 ARG 41 1HG ARG 41 6.578 -4.466 4.110 325 HG3 ARG 41 2HG ARG 41 8.025 -5.091 4.903 326 HD2 ARG 41 1HD ARG 41 8.034 -7.039 3.560 327 HD3 ARG 41 2HD ARG 41 6.405 -6.722 2.965 328 HE ARG 41 HE ARG 41 8.047 -4.571 2.239 329 HH11 ARG 41 2HH1 ARG 41 7.665 -7.982 1.509 330 HH12 ARG 41 1HH1 ARG 41 8.263 -7.827 -0.113 331 HH21 ARG 41 2HH2 ARG 41 8.771 -4.366 0.092 332 HH22 ARG 41 1HH2 ARG 41 8.838 -5.763 -0.945 333 H LYS 42 H LYS 42 6.951 -2.884 6.782 334 HA LYS 42 HA LYS 42 4.675 -1.242 6.319 335 HB2 LYS 42 1HB LYS 42 6.763 -0.523 7.505 336 HB3 LYS 42 2HB LYS 42 7.586 -0.517 5.951 337 HG2 LYS 42 1HG LYS 42 5.947 1.167 5.155 338 HG3 LYS 42 2HG LYS 42 5.278 1.221 6.786 339 HD2 LYS 42 1HD LYS 42 8.141 1.834 6.064 340 HD3 LYS 42 2HD LYS 42 6.888 3.042 6.357 341 HE2 LYS 42 1HE LYS 42 6.623 2.234 8.640 342 HE3 LYS 42 2HE LYS 42 7.833 0.984 8.349 343 HZ1 LYS 42 3HZ LYS 42 9.390 2.420 8.934 344 HZ2 LYS 42 1HZ LYS 42 8.230 3.632 9.185 345 HZ3 LYS 42 2HZ LYS 42 8.955 3.453 7.660 346 H VAL 43 H VAL 43 3.870 -0.372 4.536 347 HA VAL 43 HA VAL 43 4.454 -1.629 2.052 348 HB VAL 43 HB VAL 43 2.535 0.516 2.915 349 HG11 VAL 43 1HG1 VAL 43 3.320 0.943 0.601 350 HG12 VAL 43 2HG1 VAL 43 2.712 -0.649 0.153 351 HG13 VAL 43 3HG1 VAL 43 1.597 0.590 0.729 352 HG21 VAL 43 3HG2 VAL 43 1.674 -1.495 3.609 353 HG22 VAL 43 1HG2 VAL 43 0.972 -1.376 1.996 354 HG23 VAL 43 2HG2 VAL 43 2.388 -2.389 2.268 355 H ARG 44 H ARG 44 5.545 -0.903 0.324 356 HA ARG 44 HA ARG 44 6.361 1.914 0.260 357 HB2 ARG 44 1HB ARG 44 8.086 -0.392 -0.680 358 HB3 ARG 44 2HB ARG 44 8.469 1.314 -0.842 359 HG2 ARG 44 1HG ARG 44 8.410 1.459 1.665 360 HG3 ARG 44 2HG ARG 44 8.315 -0.302 1.680 361 HD2 ARG 44 1HD ARG 44 10.401 -0.226 0.186 362 HD3 ARG 44 2HD ARG 44 10.542 1.449 0.714 363 HE ARG 44 HE ARG 44 10.238 -0.235 2.958 364 HH11 ARG 44 2HH1 ARG 44 12.603 0.561 0.491 365 HH12 ARG 44 1HH1 ARG 44 13.965 0.192 1.504 366 HH21 ARG 44 2HH2 ARG 44 12.023 -0.761 4.265 367 HH22 ARG 44 1HH2 ARG 44 13.640 -0.577 3.647 368 H VAL 45 H VAL 45 5.787 2.902 -1.584 369 HA VAL 45 HA VAL 45 4.439 1.276 -3.593 370 HB VAL 45 HB VAL 45 3.581 3.389 -4.501 371 HG11 VAL 45 1HG1 VAL 45 1.941 2.918 -3.081 372 HG12 VAL 45 2HG1 VAL 45 3.076 2.348 -1.859 373 HG13 VAL 45 3HG1 VAL 45 2.681 4.064 -1.961 374 HG21 VAL 45 3HG2 VAL 45 4.938 5.159 -4.177 375 HG22 VAL 45 1HG2 VAL 45 4.016 5.343 -2.685 376 HG23 VAL 45 2HG2 VAL 45 5.578 4.525 -2.661 377 H CYS 46 H CYS 46 4.794 1.592 -5.854 378 HA CYS 46 HA CYS 46 7.528 1.594 -6.566 379 HB2 CYS 46 1HB CYS 46 6.840 1.123 -8.742 380 HB3 CYS 46 2HB CYS 46 5.523 0.472 -7.771 381 H GLU 47 H GLU 47 8.672 3.038 -7.842 382 HA GLU 47 HA GLU 47 8.605 5.686 -7.103 383 HB2 GLU 47 1HB GLU 47 10.484 4.419 -8.214 384 HB3 GLU 47 2HB GLU 47 9.660 4.675 -9.744 385 HG2 GLU 47 1HG GLU 47 11.285 6.342 -9.638 386 HG3 GLU 47 2HG GLU 47 9.774 7.145 -9.227 387 H ASN 48 H ASN 48 7.107 4.173 -9.919 388 HA ASN 48 HA ASN 48 6.388 6.409 -11.384 389 HB2 ASN 48 1HB ASN 48 5.041 3.726 -11.118 390 HB3 ASN 48 2HB ASN 48 4.492 4.951 -12.255 391 HD21 ASN 48 1HD2 ASN 48 5.175 4.606 -14.223 392 HD22 ASN 48 2HD2 ASN 48 6.686 3.880 -14.675 393 H CYS 49 H CYS 49 4.568 4.823 -8.797 394 HA CYS 49 HA CYS 49 2.261 6.423 -9.055 395 HB2 CYS 49 1HB CYS 49 3.326 4.656 -6.880 396 HB3 CYS 49 2HB CYS 49 1.881 5.625 -6.619 397 H SER 50 H SER 50 5.296 7.010 -7.503 398 HA SER 50 HA SER 50 4.191 9.045 -5.768 399 HB2 SER 50 1HB SER 50 5.923 7.744 -4.803 400 HB3 SER 50 2HB SER 50 6.996 8.021 -6.176 401 HG SER 50 HG SER 50 6.043 10.031 -4.396 402 H PHE 51 H PHE 51 6.584 8.981 -8.446 403 HA PHE 51 HA PHE 51 6.789 11.786 -8.511 404 HB2 PHE 51 1HB PHE 51 7.929 11.574 -10.626 405 HB3 PHE 51 2HB PHE 51 8.506 10.356 -9.515 406 HD1 PHE 51 HD2 PHE 51 5.713 10.532 -12.022 407 HD2 PHE 51 HD1 PHE 51 9.128 8.463 -10.567 408 HE1 PHE 51 HE2 PHE 51 5.424 8.831 -13.775 409 HE2 PHE 51 HE1 PHE 51 8.853 6.765 -12.322 410 HZ PHE 51 HZ PHE 51 6.998 6.947 -13.929 411 H GLY 52 H GLY 52 4.374 9.682 -9.629 412 HA2 GLY 52 2HA GLY 52 3.140 11.447 -11.538 413 HA3 GLY 52 1HA GLY 52 2.403 10.039 -10.781 414 H LYS 53 H LYS 53 1.199 12.601 -11.214 415 HA LYS 53 HA LYS 53 1.230 14.388 -9.161 416 HB2 LYS 53 1HB LYS 53 -1.073 14.995 -9.808 417 HB3 LYS 53 2HB LYS 53 -0.009 14.786 -11.190 418 HG2 LYS 53 1HG LYS 53 -0.951 12.525 -11.528 419 HG3 LYS 53 2HG LYS 53 -2.068 12.826 -10.198 420 HD2 LYS 53 1HD LYS 53 -3.232 13.258 -12.237 421 HD3 LYS 53 2HD LYS 53 -2.915 14.809 -11.459 422 HE2 LYS 53 1HE LYS 53 -1.031 15.197 -12.934 423 HE3 LYS 53 2HE LYS 53 -1.253 13.613 -13.674 424 HZ1 LYS 53 3HZ LYS 53 -3.105 14.293 -14.800 425 HZ2 LYS 53 1HZ LYS 53 -2.218 15.738 -14.790 426 HZ3 LYS 53 2HZ LYS 53 -3.490 15.517 -13.690 427 H GLN 54 H GLN 54 -0.547 11.334 -9.193 428 HA GLN 54 HA GLN 54 -1.872 11.858 -6.686 429 HB2 GLN 54 1HB GLN 54 -2.631 9.491 -6.866 430 HB3 GLN 54 2HB GLN 54 -3.035 10.469 -8.268 431 HG2 GLN 54 1HG GLN 54 -0.602 8.719 -8.211 432 HG3 GLN 54 2HG GLN 54 -2.191 8.094 -8.648 433 HE21 GLN 54 1HE2 GLN 54 0.591 9.210 -9.881 434 HE22 GLN 54 2HE2 GLN 54 0.034 9.811 -11.412 435 H ALA 55 H ALA 55 0.739 12.265 -6.193 436 HA ALA 55 HA ALA 55 2.261 10.019 -5.502 437 HB1 ALA 55 3HB ALA 55 3.862 11.489 -4.956 438 HB2 ALA 55 1HB ALA 55 2.770 12.650 -5.719 439 HB3 ALA 55 2HB ALA 55 2.777 12.466 -3.965 440 H LYS 56 H LYS 56 0.491 12.237 -3.328 441 HA LYS 56 HA LYS 56 1.072 10.416 -1.128 442 HB2 LYS 56 1HB LYS 56 -0.177 13.164 -1.104 443 HB3 LYS 56 2HB LYS 56 0.296 12.245 0.314 444 HG2 LYS 56 1HG LYS 56 2.235 13.117 -1.815 445 HG3 LYS 56 2HG LYS 56 1.885 14.051 -0.362 446 HD2 LYS 56 1HD LYS 56 3.759 12.889 0.303 447 HD3 LYS 56 2HD LYS 56 2.479 11.814 0.865 448 HE2 LYS 56 1HE LYS 56 2.733 10.475 -1.183 449 HE3 LYS 56 2HE LYS 56 4.038 11.541 -1.704 450 HZ1 LYS 56 3HZ LYS 56 4.347 10.392 0.943 451 HZ2 LYS 56 1HZ LYS 56 5.488 10.592 -0.299 452 HZ3 LYS 56 2HZ LYS 56 4.409 9.284 -0.340 453 H ASN 57 H ASN 57 -1.191 10.067 -3.227 454 HA ASN 57 HA ASN 57 -3.486 10.156 -1.480 455 HB2 ASN 57 1HB ASN 57 -3.236 9.230 -4.338 456 HB3 ASN 57 2HB ASN 57 -4.727 9.148 -3.413 457 HD21 ASN 57 1HD2 ASN 57 -3.579 10.796 -5.780 458 HD22 ASN 57 2HD2 ASN 57 -4.140 12.386 -5.423 459 H CYS 58 H CYS 58 -4.791 8.417 -1.025 460 HA CYS 58 HA CYS 58 -3.608 6.318 0.306 461 HB2 CYS 58 1HB CYS 58 -5.851 7.167 0.712 462 HB3 CYS 58 2HB CYS 58 -6.376 6.609 -0.864 463 H ILE 59 H ILE 59 -3.010 4.300 -0.201 464 HA ILE 59 HA ILE 59 -2.677 3.681 -2.961 465 HB ILE 59 HB ILE 59 -1.572 1.611 -2.133 466 HG12 ILE 59 1HG1 ILE 59 -2.364 2.743 0.561 467 HG13 ILE 59 2HG1 ILE 59 -2.830 1.183 -0.109 468 HG21 ILE 59 1HG2 ILE 59 -0.839 4.370 -1.595 469 HG22 ILE 59 2HG2 ILE 59 -0.015 3.232 -0.532 470 HG23 ILE 59 3HG2 ILE 59 0.121 3.057 -2.281 471 HD11 ILE 59 3HD1 ILE 59 -0.068 1.123 -0.141 472 HD12 ILE 59 1HD1 ILE 59 -0.464 1.937 1.380 473 HD13 ILE 59 2HD1 ILE 59 -1.130 0.335 1.029 474 H ILE 60 H ILE 60 -4.869 2.586 -0.458 475 HA ILE 60 HA ILE 60 -5.776 0.292 -1.872 476 HB ILE 60 HB ILE 60 -6.991 1.782 0.450 477 HG12 ILE 60 1HG1 ILE 60 -5.458 -0.817 0.222 478 HG13 ILE 60 2HG1 ILE 60 -4.887 0.674 0.962 479 HG21 ILE 60 1HG2 ILE 60 -8.373 -0.307 0.730 480 HG22 ILE 60 2HG2 ILE 60 -8.826 0.729 -0.624 481 HG23 ILE 60 3HG2 ILE 60 -7.899 -0.745 -0.911 482 HD11 ILE 60 3HD1 ILE 60 -5.992 -1.419 2.294 483 HD12 ILE 60 1HD1 ILE 60 -5.911 0.238 2.894 484 HD13 ILE 60 2HD1 ILE 60 -7.376 -0.342 2.103 485 H CYS 61 H CYS 61 -7.213 3.556 -1.442 486 HA CYS 61 HA CYS 61 -9.080 2.786 -3.568 487 HB2 CYS 61 1HB CYS 61 -10.633 4.436 -2.768 488 HB3 CYS 61 2HB CYS 61 -10.135 3.424 -1.421 489 H ASN 62 H ASN 62 -6.272 4.049 -3.467 490 HA ASN 62 HA ASN 62 -4.969 5.366 -4.673 491 HB2 ASN 62 1HB ASN 62 -5.508 5.507 -7.117 492 HB3 ASN 62 2HB ASN 62 -5.423 3.902 -6.412 493 HD21 ASN 62 1HD2 ASN 62 -7.193 6.025 -8.281 494 HD22 ASN 62 2HD2 ASN 62 -8.667 5.121 -8.385 495 H LEU 63 H LEU 63 -8.237 6.757 -4.799 496 HA LEU 63 HA LEU 63 -7.071 9.160 -5.861 497 HB2 LEU 63 1HB LEU 63 -9.604 9.894 -5.610 498 HB3 LEU 63 2HB LEU 63 -8.951 9.039 -6.994 499 HG LEU 63 HG LEU 63 -9.758 6.915 -6.035 500 HD11 LEU 63 1HD1 LEU 63 -11.402 8.375 -4.067 501 HD12 LEU 63 2HD1 LEU 63 -10.713 6.750 -3.996 502 HD13 LEU 63 3HD1 LEU 63 -9.682 8.158 -3.702 503 HD21 LEU 63 3HD2 LEU 63 -11.769 7.206 -6.991 504 HD22 LEU 63 1HD2 LEU 63 -12.177 8.575 -5.958 505 HD23 LEU 63 2HD2 LEU 63 -11.148 8.812 -7.368 506 H ASN 64 H ASN 64 -8.835 8.382 -2.894 507 HA ASN 64 HA ASN 64 -8.732 11.013 -1.844 508 HB2 ASN 64 1HB ASN 64 -9.083 8.334 -0.488 509 HB3 ASN 64 2HB ASN 64 -9.152 9.857 0.383 510 HD21 ASN 64 1HD2 ASN 64 -10.395 10.558 -2.545 511 HD22 ASN 64 2HD2 ASN 64 -12.071 10.246 -2.231 512 H VAL 65 H VAL 65 -7.174 12.056 -0.682 513 HA VAL 65 HA VAL 65 -4.538 11.235 -0.793 514 HB VAL 65 HB VAL 65 -5.188 13.572 -0.544 515 HG11 VAL 65 1HG1 VAL 65 -6.677 12.593 1.580 516 HG12 VAL 65 2HG1 VAL 65 -5.457 13.636 2.308 517 HG13 VAL 65 3HG1 VAL 65 -6.532 14.272 1.062 518 HG21 VAL 65 3HG2 VAL 65 -2.895 12.825 0.037 519 HG22 VAL 65 1HG2 VAL 65 -3.405 14.268 0.913 520 HG23 VAL 65 2HG2 VAL 65 -3.401 12.700 1.722 521 H GLY 66 H GLY 66 -3.169 10.149 0.500 522 HA2 GLY 66 2HA GLY 66 -4.352 8.575 2.640 523 HA3 GLY 66 1HA GLY 66 -2.755 8.361 1.940 524 H VAL 67 H VAL 67 -3.726 8.577 4.764 525 HA VAL 67 HA VAL 67 -2.075 10.878 5.569 526 HB VAL 67 HB VAL 67 -3.430 10.884 7.687 527 HG11 VAL 67 1HG1 VAL 67 -4.345 11.655 4.995 528 HG12 VAL 67 2HG1 VAL 67 -5.575 11.674 6.257 529 HG13 VAL 67 3HG1 VAL 67 -4.111 12.638 6.438 530 HG21 VAL 67 3HG2 VAL 67 -4.987 9.343 8.091 531 HG22 VAL 67 1HG2 VAL 67 -5.773 9.666 6.550 532 HG23 VAL 67 2HG2 VAL 67 -4.458 8.494 6.640 533 H ASN 68 H ASN 68 -2.974 7.531 6.442 534 HA ASN 68 HA ASN 68 -0.534 7.465 8.105 535 HB2 ASN 68 1HB ASN 68 -3.096 5.892 8.380 536 HB3 ASN 68 2HB ASN 68 -1.610 5.450 9.216 537 HD21 ASN 68 1HD2 ASN 68 -4.345 6.508 10.050 538 HD22 ASN 68 2HD2 ASN 68 -3.954 7.813 11.126 539 H ASP 69 H ASP 69 0.965 5.914 7.785 540 HA ASP 69 HA ASP 69 1.164 4.747 5.215 541 HB2 ASP 69 1HB ASP 69 2.710 3.844 7.656 542 HB3 ASP 69 2HB ASP 69 3.211 3.768 5.973 543 H ALA 70 H ALA 70 0.791 2.787 4.449 544 HA ALA 70 HA ALA 70 -0.891 0.992 5.975 545 HB1 ALA 70 3HB ALA 70 -0.077 1.250 3.136 546 HB2 ALA 70 1HB ALA 70 -0.575 -0.339 3.715 547 HB3 ALA 70 2HB ALA 70 -1.679 1.033 3.840 548 H PHE 71 H PHE 71 -0.432 -1.220 6.253 549 HA PHE 71 HA PHE 71 2.359 -2.022 5.905 550 HB2 PHE 71 1HB PHE 71 0.745 -2.262 8.439 551 HB3 PHE 71 2HB PHE 71 2.065 -3.368 8.088 552 HD1 PHE 71 HD1 PHE 71 1.482 0.335 8.048 553 HD2 PHE 71 HD2 PHE 71 4.058 -2.898 9.068 554 HE1 PHE 71 HE1 PHE 71 3.099 1.925 8.998 555 HE2 PHE 71 HE2 PHE 71 5.678 -1.307 10.019 556 HZ PHE 71 HZ PHE 71 5.198 1.105 9.984 557 H TYR 72 H TYR 72 2.593 -4.025 5.104 558 HA TYR 72 HA TYR 72 0.291 -5.501 4.220 559 HB2 TYR 72 1HB TYR 72 3.142 -6.498 4.393 560 HB3 TYR 72 2HB TYR 72 1.850 -7.130 3.383 561 HD1 TYR 72 HD1 TYR 72 1.010 -5.708 1.466 562 HD2 TYR 72 HD2 TYR 72 4.567 -4.800 3.616 563 HE1 TYR 72 HE1 TYR 72 1.791 -4.330 -0.415 564 HE2 TYR 72 HE2 TYR 72 5.350 -3.416 1.746 565 HH TYR 72 HH TYR 72 4.034 -3.523 -1.312 566 H CYS 73 H CYS 73 -0.790 -6.973 5.374 567 HA CYS 73 HA CYS 73 -0.173 -7.333 8.100 568 HB2 CYS 73 1HB CYS 73 -2.188 -8.488 8.288 569 HB3 CYS 73 2HB CYS 73 -2.477 -7.395 6.942 570 H TRP 74 H TRP 74 0.169 -9.313 9.212 571 HA TRP 74 HA TRP 74 2.417 -10.673 8.675 572 HB2 TRP 74 1HB TRP 74 1.421 -10.907 10.781 573 HB3 TRP 74 2HB TRP 74 -0.060 -11.557 10.118 574 HD1 TRP 74 HD1 TRP 74 -0.214 -13.865 11.088 575 HE1 TRP 74 HE1 TRP 74 1.295 -15.959 11.222 576 HE3 TRP 74 HE3 TRP 74 4.033 -11.886 9.098 577 HZ2 TRP 74 HZ2 TRP 74 3.958 -16.650 10.556 578 HZ3 TRP 74 HZ3 TRP 74 6.024 -13.317 8.877 579 HH2 TRP 74 HH2 TRP 74 5.984 -15.650 9.587 580 H GLU 75 H GLU 75 -0.744 -12.113 8.035 581 HA GLU 75 HA GLU 75 0.291 -14.393 6.882 582 HB2 GLU 75 1HB GLU 75 -2.019 -14.685 5.862 583 HB3 GLU 75 2HB GLU 75 -1.926 -14.550 7.610 584 HG2 GLU 75 1HG GLU 75 -2.615 -12.217 7.463 585 HG3 GLU 75 2HG GLU 75 -2.690 -12.350 5.705 586 H CYS 76 H CYS 76 -0.535 -11.357 5.305 587 HA CYS 76 HA CYS 76 -0.262 -12.281 2.635 588 HB2 CYS 76 1HB CYS 76 -0.085 -9.572 3.904 589 HB3 CYS 76 2HB CYS 76 0.353 -9.791 2.214 590 H CYS 77 H CYS 77 2.032 -11.159 5.042 591 HA CYS 77 HA CYS 77 4.278 -11.093 3.262 592 HB2 CYS 77 1HB CYS 77 4.123 -11.237 6.280 593 HB3 CYS 77 2HB CYS 77 5.618 -11.029 5.371 594 HG CYS 77 HG CYS 77 4.662 -8.614 4.157 595 H ARG 78 H ARG 78 2.837 -13.458 5.413 596 HA ARG 78 HA ARG 78 4.788 -15.498 5.173 597 HB2 ARG 78 1HB ARG 78 2.918 -15.368 6.862 598 HB3 ARG 78 2HB ARG 78 1.800 -15.799 5.584 599 HG2 ARG 78 1HG ARG 78 4.100 -17.602 6.162 600 HG3 ARG 78 2HG ARG 78 2.715 -17.593 7.253 601 HD2 ARG 78 1HD ARG 78 1.899 -19.144 5.840 602 HD3 ARG 78 2HD ARG 78 1.468 -17.745 4.857 603 HE ARG 78 HE ARG 78 4.113 -18.646 4.303 604 HH11 ARG 78 2HH1 ARG 78 0.730 -19.353 3.662 605 HH12 ARG 78 1HH1 ARG 78 1.059 -20.126 2.139 606 HH21 ARG 78 2HH2 ARG 78 4.540 -19.643 2.317 607 HH22 ARG 78 1HH2 ARG 78 3.227 -20.282 1.366 608 H LEU 79 H LEU 79 1.778 -14.826 3.447 609 HA LEU 79 HA LEU 79 1.862 -16.902 1.563 610 HB2 LEU 79 1HB LEU 79 0.654 -14.144 1.414 611 HB3 LEU 79 2HB LEU 79 0.368 -15.396 0.223 612 HG LEU 79 HG LEU 79 -0.332 -15.667 3.146 613 HD11 LEU 79 1HD1 LEU 79 -1.635 -13.872 2.159 614 HD12 LEU 79 2HD1 LEU 79 -2.082 -14.915 0.809 615 HD13 LEU 79 3HD1 LEU 79 -2.650 -15.287 2.438 616 HD21 LEU 79 3HD2 LEU 79 -0.778 -17.782 2.666 617 HD22 LEU 79 1HD2 LEU 79 -1.856 -17.284 1.361 618 HD23 LEU 79 2HD2 LEU 79 -0.139 -17.534 1.041 619 H GLY 80 H GLY 80 3.391 -13.762 1.619 620 HA2 GLY 80 2HA GLY 80 5.161 -13.000 0.318 621 HA3 GLY 80 1HA GLY 80 5.059 -14.471 -0.642 622 H LYS 81 H LYS 81 2.562 -12.091 0.122 623 HA LYS 81 HA LYS 81 2.059 -11.783 -2.746 624 HB2 LYS 81 1HB LYS 81 0.457 -11.042 -0.299 625 HB3 LYS 81 2HB LYS 81 0.011 -10.523 -1.918 626 HG2 LYS 81 1HG LYS 81 -0.128 -12.890 -2.603 627 HG3 LYS 81 2HG LYS 81 0.220 -13.361 -0.938 628 HD2 LYS 81 1HD LYS 81 -1.794 -12.347 -0.156 629 HD3 LYS 81 2HD LYS 81 -2.098 -11.610 -1.731 630 HE2 LYS 81 1HE LYS 81 -2.062 -14.569 -1.146 631 HE3 LYS 81 2HE LYS 81 -3.507 -13.580 -1.357 632 HZ1 LYS 81 3HZ LYS 81 -1.419 -13.886 -3.447 633 HZ2 LYS 81 1HZ LYS 81 -2.957 -13.191 -3.619 634 HZ3 LYS 81 2HZ LYS 81 -2.801 -14.859 -3.362 635 H ASP 82 H ASP 82 3.146 -10.102 0.072 636 HA ASP 82 HA ASP 82 3.004 -7.456 -0.917 637 HB2 ASP 82 1HB ASP 82 4.574 -6.918 0.924 638 HB3 ASP 82 2HB ASP 82 3.184 -7.849 1.459 639 H LYS 83 H LYS 83 5.342 -10.016 -1.220 640 HA LYS 83 HA LYS 83 7.543 -8.466 -1.966 641 HB2 LYS 83 1HB LYS 83 8.512 -10.541 -2.871 642 HB3 LYS 83 2HB LYS 83 7.826 -10.768 -1.272 643 HG2 LYS 83 1HG LYS 83 7.171 -12.673 -2.415 644 HG3 LYS 83 2HG LYS 83 5.745 -11.639 -2.514 645 HD2 LYS 83 1HD LYS 83 6.532 -10.907 -4.774 646 HD3 LYS 83 2HD LYS 83 7.810 -12.119 -4.662 647 HE2 LYS 83 1HE LYS 83 6.217 -13.897 -4.580 648 HE3 LYS 83 2HE LYS 83 4.876 -12.760 -4.423 649 HZ1 LYS 83 3HZ LYS 83 6.647 -12.732 -6.794 650 HZ2 LYS 83 1HZ LYS 83 5.077 -12.101 -6.638 651 HZ3 LYS 83 2HZ LYS 83 5.314 -13.779 -6.701 652 H ASP 84 H ASP 84 4.720 -9.210 -3.739 653 HA ASP 84 HA ASP 84 5.799 -9.211 -6.338 654 HB2 ASP 84 1HB ASP 84 3.267 -9.562 -5.280 655 HB3 ASP 84 2HB ASP 84 3.120 -8.069 -6.207 656 H GLY 85 H GLY 85 4.562 -6.589 -4.299 657 HA2 GLY 85 2HA GLY 85 6.312 -4.741 -4.662 658 HA3 GLY 85 1HA GLY 85 5.618 -4.674 -6.268 659 H CYS 86 H CYS 86 4.763 -2.793 -6.353 660 HA CYS 86 HA CYS 86 3.757 -1.209 -4.328 661 HB2 CYS 86 1HB CYS 86 4.587 -0.546 -6.583 662 HB3 CYS 86 2HB CYS 86 3.091 -1.142 -7.278 663 HA PRO 87 HA PRO 87 -0.277 -3.194 -3.957 664 HB2 PRO 87 1HB PRO 87 -0.832 -2.409 -1.483 665 HB3 PRO 87 2HB PRO 87 0.445 -3.593 -1.795 666 HG2 PRO 87 1HG PRO 87 0.674 -0.665 -1.231 667 HG3 PRO 87 2HG PRO 87 1.652 -2.005 -0.608 668 HD2 PRO 87 1HD PRO 87 2.376 -0.371 -2.722 669 HD3 PRO 87 2HD PRO 87 3.017 -2.003 -2.437 670 H ARG 88 H ARG 88 -0.195 -0.788 -5.488 671 HA ARG 88 HA ARG 88 -2.416 0.765 -4.365 672 HB2 ARG 88 1HB ARG 88 -0.381 1.336 -6.467 673 HB3 ARG 88 2HB ARG 88 -1.949 2.128 -6.572 674 HG2 ARG 88 1HG ARG 88 -1.518 2.763 -4.110 675 HG3 ARG 88 2HG ARG 88 0.167 2.399 -4.489 676 HD2 ARG 88 1HD ARG 88 0.231 4.040 -6.192 677 HD3 ARG 88 2HD ARG 88 -1.519 4.247 -6.152 678 HE ARG 88 HE ARG 88 -0.610 4.901 -3.633 679 HH11 ARG 88 2HH1 ARG 88 -0.214 6.046 -6.912 680 HH12 ARG 88 1HH1 ARG 88 0.122 7.684 -6.425 681 HH21 ARG 88 2HH2 ARG 88 -0.240 7.072 -3.003 682 HH22 ARG 88 1HH2 ARG 88 0.096 8.260 -4.223 683 H ILE 89 H ILE 89 -4.424 0.498 -5.089 684 HA ILE 89 HA ILE 89 -4.977 -1.458 -7.125 685 HB ILE 89 HB ILE 89 -6.850 0.479 -5.750 686 HG12 ILE 89 1HG1 ILE 89 -5.752 -1.019 -4.147 687 HG13 ILE 89 2HG1 ILE 89 -7.452 -1.443 -4.318 688 HG21 ILE 89 1HG2 ILE 89 -8.573 -1.263 -6.416 689 HG22 ILE 89 2HG2 ILE 89 -7.933 -0.250 -7.709 690 HG23 ILE 89 3HG2 ILE 89 -7.352 -1.903 -7.516 691 HD11 ILE 89 3HD1 ILE 89 -5.207 -3.115 -4.581 692 HD12 ILE 89 1HD1 ILE 89 -6.905 -3.523 -4.826 693 HD13 ILE 89 2HD1 ILE 89 -5.928 -2.965 -6.185 694 H LEU 90 H LEU 90 -4.735 -0.998 -9.233 695 HA LEU 90 HA LEU 90 -5.942 1.389 -10.334 696 HB2 LEU 90 1HB LEU 90 -3.732 1.995 -11.497 697 HB3 LEU 90 2HB LEU 90 -3.992 2.492 -9.840 698 HG LEU 90 HG LEU 90 -2.599 0.580 -9.080 699 HD11 LEU 90 1HD1 LEU 90 -2.608 -0.011 -11.967 700 HD12 LEU 90 2HD1 LEU 90 -1.056 -0.178 -11.146 701 HD13 LEU 90 3HD1 LEU 90 -2.457 -1.096 -10.582 702 HD21 LEU 90 3HD2 LEU 90 -1.273 2.452 -11.034 703 HD22 LEU 90 1HD2 LEU 90 -1.662 2.819 -9.353 704 HD23 LEU 90 2HD2 LEU 90 -0.473 1.572 -9.732 705 H ASN 91 H ASN 91 -5.243 -1.829 -10.724 706 HA ASN 91 HA ASN 91 -4.886 -1.768 -13.591 707 HB2 ASN 91 1HB ASN 91 -5.488 -4.087 -11.746 708 HB3 ASN 91 2HB ASN 91 -5.256 -4.239 -13.482 709 HD21 ASN 91 1HD2 ASN 91 -3.795 -5.491 -11.392 710 HD22 ASN 91 2HD2 ASN 91 -2.151 -5.002 -11.556 711 H LEU 92 H LEU 92 -7.078 -4.188 -12.956 712 HA LEU 92 HA LEU 92 -9.525 -2.791 -13.045 713 HB2 LEU 92 1HB LEU 92 -8.199 -2.649 -15.432 714 HB3 LEU 92 2HB LEU 92 -9.163 -4.097 -15.656 715 HG LEU 92 HG LEU 92 -11.200 -2.769 -15.075 716 HD11 LEU 92 1HD1 LEU 92 -10.866 -0.840 -14.018 717 HD12 LEU 92 2HD1 LEU 92 -9.161 -0.799 -14.479 718 HD13 LEU 92 3HD1 LEU 92 -10.390 -0.173 -15.582 719 HD21 LEU 92 3HD2 LEU 92 -9.559 -2.565 -17.453 720 HD22 LEU 92 1HD2 LEU 92 -11.303 -2.777 -17.298 721 HD23 LEU 92 2HD2 LEU 92 -10.603 -1.159 -17.246 722 H GLY 93 H GLY 93 -11.014 -4.193 -12.352 723 HA2 GLY 93 2HA GLY 93 -11.332 -6.835 -13.251 724 HA3 GLY 93 1HA GLY 93 -10.391 -6.866 -11.766 725 H SER 94 H SER 94 -11.853 -7.733 -10.371 726 HA SER 94 HA SER 94 -14.603 -7.030 -10.343 727 HB2 SER 94 1HB SER 94 -12.997 -8.264 -8.088 728 HB3 SER 94 2HB SER 94 -14.739 -8.378 -8.341 729 HG SER 94 HG SER 94 -12.638 -9.590 -9.791 730 H ASN 95 H ASN 95 -15.416 -5.208 -9.738 731 HA ASN 95 HA ASN 95 -15.204 -3.953 -7.287 732 HB2 ASN 95 1HB ASN 95 -12.897 -3.321 -7.954 733 HB3 ASN 95 2HB ASN 95 -13.528 -2.570 -9.414 734 HD21 ASN 95 1HD2 ASN 95 -12.598 -2.064 -6.268 735 HD22 ASN 95 2HD2 ASN 95 -13.308 -0.507 -6.014 736 H ARG 96 H ARG 96 -15.448 -3.547 -10.714 737 HA ARG 96 HA ARG 96 -18.194 -2.729 -10.450 738 HB2 ARG 96 1HB ARG 96 -18.007 -0.926 -12.121 739 HB3 ARG 96 2HB ARG 96 -17.097 -0.550 -10.670 740 HG2 ARG 96 1HG ARG 96 -15.768 0.144 -12.490 741 HG3 ARG 96 2HG ARG 96 -15.038 -1.348 -11.899 742 HD2 ARG 96 1HD ARG 96 -15.156 -1.257 -14.365 743 HD3 ARG 96 2HD ARG 96 -16.060 -2.620 -13.679 744 HE ARG 96 HE ARG 96 -17.770 -0.382 -14.043 745 HH11 ARG 96 2HH1 ARG 96 -15.997 -2.743 -15.914 746 HH12 ARG 96 1HH1 ARG 96 -17.227 -2.912 -17.135 747 HH21 ARG 96 2HH2 ARG 96 -19.403 -0.580 -15.651 748 HH22 ARG 96 1HH2 ARG 96 -19.151 -1.657 -16.997 749 H LEU 97 H LEU 97 -19.424 -3.453 -12.206 750 HA LEU 97 HA LEU 97 -18.571 -4.278 -14.680 751 HB2 LEU 97 1HB LEU 97 -18.014 -6.315 -12.606 752 HB3 LEU 97 2HB LEU 97 -18.788 -6.896 -14.070 753 HG LEU 97 HG LEU 97 -16.301 -5.205 -14.204 754 HD11 LEU 97 1HD1 LEU 97 -15.507 -7.842 -14.571 755 HD12 LEU 97 2HD1 LEU 97 -15.137 -6.804 -13.192 756 HD13 LEU 97 3HD1 LEU 97 -16.529 -7.886 -13.134 757 HD21 LEU 97 3HD2 LEU 97 -18.029 -6.262 -16.113 758 HD22 LEU 97 1HD2 LEU 97 -16.412 -5.617 -16.391 759 HD23 LEU 97 2HD2 LEU 97 -16.639 -7.346 -16.130 760 H ASP 98 H ASP 98 -20.687 -4.515 -12.044 761 HA ASP 98 HA ASP 98 -22.919 -4.846 -11.825 762 HB2 ASP 98 1HB ASP 98 -23.026 -3.159 -13.650 763 HB3 ASP 98 2HB ASP 98 -23.005 -4.467 -14.827 764 H ARG 99 H ARG 99 -21.439 -7.042 -11.760 765 HA ARG 99 HA ARG 99 -23.218 -9.090 -12.820 766 HB2 ARG 99 1HB ARG 99 -20.240 -9.021 -13.368 767 HB3 ARG 99 2HB ARG 99 -21.245 -10.444 -13.595 768 HG2 ARG 99 1HG ARG 99 -22.514 -9.329 -15.313 769 HG3 ARG 99 2HG ARG 99 -21.628 -7.828 -15.034 770 HD2 ARG 99 1HD ARG 99 -19.538 -9.006 -15.663 771 HD3 ARG 99 2HD ARG 99 -20.499 -10.432 -16.050 772 HE ARG 99 HE ARG 99 -20.154 -8.093 -17.659 773 HH11 ARG 99 2HH1 ARG 99 -22.377 -10.714 -16.936 774 HH12 ARG 99 1HH1 ARG 99 -23.227 -10.566 -18.449 775 HH21 ARG 99 2HH2 ARG 99 -21.251 -7.907 -19.617 776 HH22 ARG 99 1HH2 ARG 99 -22.594 -8.952 -19.971 777 H HIS 100 H HIS 100 -21.093 -11.095 -12.158 778 HA HIS 100 HA HIS 100 -20.520 -12.429 -10.415 779 HB2 HIS 100 1HB HIS 100 -19.026 -10.400 -10.069 780 HB3 HIS 100 2HB HIS 100 -20.170 -9.871 -8.844 781 HD1 HIS 100 HD1 HIS 100 -18.265 -13.110 -9.541 782 HD2 HIS 100 HD2 HIS 100 -19.303 -10.587 -6.395 783 HE1 HIS 100 HE1 HIS 100 -17.256 -14.141 -7.474 784 HE2 HIS 100 HE2 HIS 100 -17.952 -12.642 -5.574 785 H PHE 101 H PHE 101 -23.286 -11.950 -10.736 786 HA PHE 101 HA PHE 101 -25.236 -12.514 -9.718 787 HB2 PHE 101 1HB PHE 101 -23.979 -14.188 -8.466 788 HB3 PHE 101 2HB PHE 101 -23.534 -12.977 -7.276 789 HD1 PHE 101 HD1 PHE 101 -26.733 -14.040 -8.878 790 HD2 PHE 101 HD2 PHE 101 -24.598 -13.282 -5.278 791 HE1 PHE 101 HE1 PHE 101 -28.747 -14.579 -7.576 792 HE2 PHE 101 HE2 PHE 101 -26.608 -13.823 -3.967 793 HZ PHE 101 HZ PHE 101 -28.688 -14.470 -5.117 794 H GLU 102 H GLU 102 -23.190 -10.167 -8.188 795 HA GLU 102 HA GLU 102 -24.857 -9.018 -6.323 796 HB2 GLU 102 1HB GLU 102 -22.483 -8.467 -6.597 797 HB3 GLU 102 2HB GLU 102 -22.842 -7.639 -8.105 798 HG2 GLU 102 1HG GLU 102 -24.226 -6.030 -6.866 799 HG3 GLU 102 2HG GLU 102 -23.792 -6.843 -5.361 800 H LYS 103 H LYS 103 -26.554 -7.739 -6.325 801 HA LYS 103 HA LYS 103 -28.271 -6.404 -6.941 802 HB2 LYS 103 1HB LYS 103 -26.616 -5.857 -9.406 803 HB3 LYS 103 2HB LYS 103 -28.121 -5.037 -9.018 804 HG2 LYS 103 1HG LYS 103 -25.562 -4.950 -7.431 805 HG3 LYS 103 2HG LYS 103 -26.249 -3.650 -8.406 806 HD2 LYS 103 1HD LYS 103 -27.472 -4.859 -5.924 807 HD3 LYS 103 2HD LYS 103 -26.686 -3.284 -6.037 808 HE2 LYS 103 1HE LYS 103 -29.170 -4.116 -7.530 809 HE3 LYS 103 2HE LYS 103 -29.139 -3.106 -6.086 810 HZ1 LYS 103 3HZ LYS 103 -27.578 -1.637 -7.511 811 HZ2 LYS 103 1HZ LYS 103 -29.253 -1.570 -7.771 812 HZ3 LYS 103 2HZ LYS 103 -28.271 -2.461 -8.825 813 H LYS 104 H LYS 104 -27.100 -8.259 -9.729 814 HA LYS 104 HA LYS 104 -29.747 -8.621 -10.772 815 HB2 LYS 104 1HB LYS 104 -27.083 -9.826 -11.525 816 HB3 LYS 104 2HB LYS 104 -28.580 -10.136 -12.397 817 HG2 LYS 104 1HG LYS 104 -28.779 -7.801 -12.972 818 HG3 LYS 104 2HG LYS 104 -27.357 -7.411 -12.005 819 HD2 LYS 104 1HD LYS 104 -25.958 -8.733 -13.482 820 HD3 LYS 104 2HD LYS 104 -27.374 -9.226 -14.414 821 HE2 LYS 104 1HE LYS 104 -27.763 -6.968 -15.124 822 HE3 LYS 104 2HE LYS 104 -26.489 -6.369 -14.066 823 HZ1 LYS 104 3HZ LYS 104 -26.174 -6.943 -16.667 824 HZ2 LYS 104 1HZ LYS 104 -25.633 -8.383 -15.954 825 HZ3 LYS 104 2HZ LYS 104 -24.913 -6.908 -15.534 826 H LYS 105 H LYS 105 -28.687 -11.507 -11.463 827 HA LYS 105 HA LYS 105 -28.973 -12.986 -9.063 828 HB2 LYS 105 1HB LYS 105 -31.151 -14.040 -9.536 829 HB3 LYS 105 2HB LYS 105 -31.310 -12.321 -9.214 830 HG2 LYS 105 1HG LYS 105 -31.116 -13.279 -12.035 831 HG3 LYS 105 2HG LYS 105 -32.637 -13.430 -11.158 832 HD2 LYS 105 1HD LYS 105 -31.144 -10.825 -11.347 833 HD3 LYS 105 2HD LYS 105 -32.307 -11.332 -12.571 834 HE2 LYS 105 1HE LYS 105 -33.461 -9.913 -11.051 835 HE3 LYS 105 2HE LYS 105 -34.004 -11.559 -10.741 836 HZ1 LYS 105 3HZ LYS 105 -31.764 -10.593 -9.140 837 HZ2 LYS 105 1HZ LYS 105 -33.067 -11.587 -8.702 838 HZ3 LYS 105 2HZ LYS 105 -33.278 -9.907 -8.818 839 H LYS 106 H LYS 106 -29.620 -15.386 -9.759 840 HA LYS 106 HA LYS 106 -28.530 -16.055 -12.380 841 HB2 LYS 106 1HB LYS 106 -26.573 -15.970 -10.866 842 HB3 LYS 106 2HB LYS 106 -27.360 -17.123 -9.798 843 HG2 LYS 106 1HG LYS 106 -27.378 -18.737 -11.720 844 HG3 LYS 106 2HG LYS 106 -26.353 -17.594 -12.590 845 HD2 LYS 106 1HD LYS 106 -24.978 -19.281 -11.533 846 HD3 LYS 106 2HD LYS 106 -24.706 -17.722 -10.753 847 HE2 LYS 106 1HE LYS 106 -26.275 -18.373 -8.966 848 HE3 LYS 106 2HE LYS 106 -26.467 -19.948 -9.733 849 HZ1 LYS 106 3HZ LYS 106 -23.871 -19.960 -9.501 850 HZ2 LYS 106 1HZ LYS 106 -24.868 -20.421 -8.207 851 HZ3 LYS 106 2HZ LYS 106 -24.193 -18.867 -8.246 852 H VAL 107 H VAL 107 -29.688 -17.673 -13.228 853 HA VAL 107 HA VAL 107 -31.848 -18.793 -11.749 854 HB VAL 107 HB VAL 107 -30.811 -19.603 -14.471 855 HG11 VAL 107 1HG1 VAL 107 -33.532 -20.020 -13.242 856 HG12 VAL 107 2HG1 VAL 107 -33.012 -20.537 -14.846 857 HG13 VAL 107 3HG1 VAL 107 -32.293 -21.264 -13.408 858 HG21 VAL 107 3HG2 VAL 107 -33.096 -18.141 -14.866 859 HG22 VAL 107 1HG2 VAL 107 -32.317 -17.279 -13.538 860 HG23 VAL 107 2HG2 VAL 107 -31.449 -17.537 -15.053 Start of MODEL 11 1 H1 GLY -1 1H GLY -1 -7.744 15.879 -12.124 2 H2 GLY -1 2H GLY -1 -8.715 17.161 -12.660 3 H3 GLY -1 3H GLY -1 -7.152 16.955 -13.293 4 HA2 GLY -1 1HA GLY -1 -8.715 16.182 -14.908 5 HA3 GLY -1 2HA GLY -1 -7.834 14.812 -14.248 6 H GLY 0 H GLY 0 -9.211 13.148 -14.211 7 HA2 GLY 0 2HA GLY 0 -11.349 13.061 -12.385 8 HA3 GLY 0 1HA GLY 0 -12.004 13.341 -13.994 9 H SER 1 H SER 1 -12.864 11.464 -14.607 10 HA SER 1 HA SER 1 -11.442 8.960 -14.089 11 HB2 SER 1 1HB SER 1 -14.105 9.310 -15.474 12 HB3 SER 1 2HB SER 1 -13.466 7.855 -14.712 13 HG SER 1 HG SER 1 -15.028 8.964 -13.420 14 H SER 2 H SER 2 -10.221 10.788 -15.871 15 HA SER 2 HA SER 2 -10.802 9.991 -18.574 16 HB2 SER 2 1HB SER 2 -8.502 11.647 -17.506 17 HB3 SER 2 2HB SER 2 -9.027 11.542 -19.187 18 HG SER 2 HG SER 2 -11.130 12.325 -18.355 19 H ARG 3 H ARG 3 -10.242 7.718 -17.219 20 HA ARG 3 HA ARG 3 -7.817 6.844 -18.573 21 HB2 ARG 3 1HB ARG 3 -7.000 5.601 -16.621 22 HB3 ARG 3 2HB ARG 3 -7.047 7.328 -16.297 23 HG2 ARG 3 1HG ARG 3 -9.096 7.055 -15.021 24 HG3 ARG 3 2HG ARG 3 -9.113 5.331 -15.389 25 HD2 ARG 3 1HD ARG 3 -8.240 5.628 -13.177 26 HD3 ARG 3 2HD ARG 3 -6.927 5.116 -14.233 27 HE ARG 3 HE ARG 3 -5.849 7.053 -13.722 28 HH11 ARG 3 2HH1 ARG 3 -9.255 7.496 -13.001 29 HH12 ARG 3 1HH1 ARG 3 -9.043 9.130 -12.443 30 HH21 ARG 3 2HH2 ARG 3 -5.583 9.199 -12.996 31 HH22 ARG 3 1HH2 ARG 3 -6.965 10.101 -12.443 32 H HIS 4 H HIS 4 -8.166 4.996 -19.615 33 HA HIS 4 HA HIS 4 -10.696 3.624 -19.184 34 HB2 HIS 4 1HB HIS 4 -8.588 3.521 -21.319 35 HB3 HIS 4 2HB HIS 4 -9.770 2.223 -21.186 36 HD1 HIS 4 HD1 HIS 4 -12.384 3.256 -21.080 37 HD2 HIS 4 HD2 HIS 4 -9.421 5.486 -22.963 38 HE1 HIS 4 HE1 HIS 4 -13.600 4.890 -22.557 39 HE2 HIS 4 HE2 HIS 4 -11.792 6.382 -23.493 40 H GLN 5 H GLN 5 -7.249 2.944 -19.086 41 HA GLN 5 HA GLN 5 -5.994 1.435 -17.990 42 HB2 GLN 5 1HB GLN 5 -7.215 2.058 -15.993 43 HB3 GLN 5 2HB GLN 5 -8.519 0.952 -16.406 44 HG2 GLN 5 1HG GLN 5 -6.947 -0.934 -16.182 45 HG3 GLN 5 2HG GLN 5 -5.690 0.201 -15.704 46 HE21 GLN 5 1HE2 GLN 5 -8.312 1.534 -14.406 47 HE22 GLN 5 2HE2 GLN 5 -8.323 0.767 -12.857 48 H PHE 6 H PHE 6 -5.241 -0.393 -18.655 49 HA PHE 6 HA PHE 6 -7.069 -2.613 -19.158 50 HB2 PHE 6 1HB PHE 6 -6.561 -1.503 -21.334 51 HB3 PHE 6 2HB PHE 6 -4.865 -1.905 -21.094 52 HD1 PHE 6 HD2 PHE 6 -7.226 -4.328 -19.865 53 HD2 PHE 6 HD1 PHE 6 -5.051 -3.072 -23.304 54 HE1 PHE 6 HE2 PHE 6 -7.641 -6.512 -20.927 55 HE2 PHE 6 HE1 PHE 6 -5.452 -5.258 -24.364 56 HZ PHE 6 HZ PHE 6 -6.752 -6.979 -23.176 57 H ASP 7 H ASP 7 -5.190 -1.685 -17.148 58 HA ASP 7 HA ASP 7 -3.293 -3.884 -17.108 59 HB2 ASP 7 1HB ASP 7 -3.695 -1.495 -15.330 60 HB3 ASP 7 2HB ASP 7 -2.724 -2.868 -14.810 61 H LEU 8 H LEU 8 -5.925 -2.499 -15.378 62 HA LEU 8 HA LEU 8 -7.472 -3.288 -13.898 63 HB2 LEU 8 1HB LEU 8 -7.398 -5.462 -15.978 64 HB3 LEU 8 2HB LEU 8 -8.716 -5.195 -14.848 65 HG LEU 8 HG LEU 8 -8.159 -2.732 -16.156 66 HD11 LEU 8 1HD1 LEU 8 -7.802 -3.174 -18.291 67 HD12 LEU 8 2HD1 LEU 8 -7.472 -4.845 -17.812 68 HD13 LEU 8 3HD1 LEU 8 -9.095 -4.381 -18.322 69 HD21 LEU 8 3HD2 LEU 8 -10.521 -3.414 -17.130 70 HD22 LEU 8 1HD2 LEU 8 -10.413 -4.617 -15.843 71 HD23 LEU 8 2HD2 LEU 8 -10.297 -2.899 -15.457 72 H ILE 9 H ILE 9 -5.869 -3.578 -12.177 73 HA ILE 9 HA ILE 9 -6.087 -6.027 -10.820 74 HB ILE 9 HB ILE 9 -3.362 -5.903 -10.857 75 HG12 ILE 9 1HG1 ILE 9 -2.578 -6.174 -13.135 76 HG13 ILE 9 2HG1 ILE 9 -4.206 -5.891 -13.741 77 HG21 ILE 9 1HG2 ILE 9 -3.609 -8.097 -11.008 78 HG22 ILE 9 2HG2 ILE 9 -5.334 -7.786 -11.210 79 HG23 ILE 9 3HG2 ILE 9 -4.300 -7.971 -12.626 80 HD11 ILE 9 3HD1 ILE 9 -4.141 -3.623 -12.822 81 HD12 ILE 9 1HD1 ILE 9 -2.467 -3.900 -12.302 82 HD13 ILE 9 2HD1 ILE 9 -2.877 -3.914 -14.023 83 H MET 10 H MET 10 -4.139 -5.971 -9.116 84 HA MET 10 HA MET 10 -4.014 -3.365 -7.864 85 HB2 MET 10 1HB MET 10 -3.713 -4.733 -6.099 86 HB3 MET 10 2HB MET 10 -3.534 -6.122 -7.156 87 HG2 MET 10 1HG MET 10 -1.516 -6.279 -6.276 88 HG3 MET 10 2HG MET 10 -1.102 -4.971 -7.388 89 HE1 MET 10 3HE MET 10 -2.229 -4.882 -3.062 90 HE2 MET 10 1HE MET 10 -3.314 -3.780 -3.910 91 HE3 MET 10 2HE MET 10 -3.194 -5.467 -4.422 92 H CYS 11 H CYS 11 -2.156 -2.036 -7.965 93 HA CYS 11 HA CYS 11 -0.923 -1.731 -10.332 94 HB2 CYS 11 1HB CYS 11 -0.881 -0.138 -8.378 95 HB3 CYS 11 2HB CYS 11 0.467 -1.062 -7.727 96 H LEU 12 H LEU 12 0.599 -3.379 -7.582 97 HA LEU 12 HA LEU 12 2.410 -4.726 -7.425 98 HB2 LEU 12 1HB LEU 12 0.124 -5.744 -8.528 99 HB3 LEU 12 2HB LEU 12 1.377 -6.367 -9.587 100 HG LEU 12 HG LEU 12 2.482 -7.400 -7.766 101 HD11 LEU 12 1HD1 LEU 12 0.432 -6.651 -5.781 102 HD12 LEU 12 2HD1 LEU 12 2.123 -7.106 -5.548 103 HD13 LEU 12 3HD1 LEU 12 1.716 -5.499 -6.153 104 HD21 LEU 12 3HD2 LEU 12 0.591 -8.852 -6.868 105 HD22 LEU 12 1HD2 LEU 12 -0.452 -7.865 -7.896 106 HD23 LEU 12 2HD2 LEU 12 0.848 -8.818 -8.613 107 H LYS 13 H LYS 13 3.306 -2.629 -9.078 108 HA LYS 13 HA LYS 13 4.759 -3.808 -11.287 109 HB2 LYS 13 1HB LYS 13 5.127 -1.135 -9.922 110 HB3 LYS 13 2HB LYS 13 5.883 -1.632 -11.425 111 HG2 LYS 13 1HG LYS 13 3.597 -1.810 -12.415 112 HG3 LYS 13 2HG LYS 13 2.972 -1.096 -10.930 113 HD2 LYS 13 1HD LYS 13 4.329 0.867 -11.284 114 HD3 LYS 13 2HD LYS 13 5.052 0.138 -12.718 115 HE2 LYS 13 1HE LYS 13 2.151 0.827 -12.349 116 HE3 LYS 13 2HE LYS 13 3.323 1.715 -13.297 117 HZ1 LYS 13 3HZ LYS 13 3.465 -0.848 -14.247 118 HZ2 LYS 13 1HZ LYS 13 2.723 0.477 -15.011 119 HZ3 LYS 13 2HZ LYS 13 1.809 -0.564 -14.032 120 H GLN 14 H GLN 14 7.052 -1.963 -10.213 121 HA GLN 14 HA GLN 14 8.237 -3.965 -8.395 122 HB2 GLN 14 1HB GLN 14 9.337 -3.438 -10.702 123 HB3 GLN 14 2HB GLN 14 9.844 -1.940 -9.939 124 HG2 GLN 14 1HG GLN 14 10.480 -4.677 -8.863 125 HG3 GLN 14 2HG GLN 14 11.547 -3.756 -9.922 126 HE21 GLN 14 1HE2 GLN 14 11.017 -4.567 -6.824 127 HE22 GLN 14 2HE2 GLN 14 11.733 -3.212 -6.025 128 HA PRO 15 HA PRO 15 7.339 -0.793 -5.384 129 HB2 PRO 15 1HB PRO 15 9.315 -2.363 -3.820 130 HB3 PRO 15 2HB PRO 15 7.691 -1.833 -3.373 131 HG2 PRO 15 1HG PRO 15 8.159 -4.370 -4.027 132 HG3 PRO 15 2HG PRO 15 6.667 -3.558 -4.533 133 HD2 PRO 15 1HD PRO 15 9.094 -4.234 -6.129 134 HD3 PRO 15 2HD PRO 15 7.388 -4.214 -6.620 135 H GLY 16 H GLY 16 8.224 1.120 -4.936 136 HA2 GLY 16 2HA GLY 16 11.042 1.550 -5.607 137 HA3 GLY 16 1HA GLY 16 9.819 2.798 -5.425 138 H VAL 17 H VAL 17 10.652 4.075 -3.889 139 HA VAL 17 HA VAL 17 11.642 2.798 -1.436 140 HB VAL 17 HB VAL 17 12.854 4.925 -1.021 141 HG11 VAL 17 1HG1 VAL 17 13.471 3.700 -3.707 142 HG12 VAL 17 2HG1 VAL 17 14.597 4.542 -2.644 143 HG13 VAL 17 3HG1 VAL 17 13.910 2.993 -2.152 144 HG21 VAL 17 3HG2 VAL 17 11.319 6.351 -2.370 145 HG22 VAL 17 1HG2 VAL 17 13.029 6.604 -2.720 146 HG23 VAL 17 2HG2 VAL 17 12.032 5.659 -3.826 147 H GLN 18 H GLN 18 9.222 4.995 -2.603 148 HA GLN 18 HA GLN 18 8.830 6.255 -0.064 149 HB2 GLN 18 1HB GLN 18 7.414 6.416 -2.705 150 HB3 GLN 18 2HB GLN 18 6.773 7.223 -1.283 151 HG2 GLN 18 1HG GLN 18 8.950 8.395 -1.036 152 HG3 GLN 18 2HG GLN 18 9.458 7.673 -2.560 153 HE21 GLN 18 1HE2 GLN 18 9.371 9.078 -4.144 154 HE22 GLN 18 2HE2 GLN 18 8.136 10.267 -4.388 155 H THR 19 H THR 19 7.330 5.945 1.459 156 HA THR 19 HA THR 19 6.053 3.371 1.576 157 HB THR 19 HB THR 19 5.783 5.670 3.527 158 HG1 THR 19 HG1 THR 19 7.925 4.050 2.931 159 HG21 THR 19 1HG2 THR 19 5.734 2.772 4.259 160 HG22 THR 19 2HG2 THR 19 4.282 3.516 3.587 161 HG23 THR 19 3HG2 THR 19 4.991 4.149 5.072 162 H GLY 20 H GLY 20 3.914 2.881 1.419 163 HA2 GLY 20 2HA GLY 20 2.245 4.731 -0.013 164 HA3 GLY 20 1HA GLY 20 1.817 3.100 0.470 165 H LEU 21 H LEU 21 0.637 5.974 0.666 166 HA LEU 21 HA LEU 21 0.046 6.065 3.523 167 HB2 LEU 21 1HB LEU 21 -0.486 7.953 1.246 168 HB3 LEU 21 2HB LEU 21 -1.205 8.172 2.829 169 HG LEU 21 HG LEU 21 1.760 8.149 2.255 170 HD11 LEU 21 1HD1 LEU 21 -0.094 10.426 2.941 171 HD12 LEU 21 2HD1 LEU 21 1.648 10.535 2.687 172 HD13 LEU 21 3HD1 LEU 21 0.586 10.111 1.343 173 HD21 LEU 21 3HD2 LEU 21 0.192 8.684 4.779 174 HD22 LEU 21 1HD2 LEU 21 1.295 7.339 4.485 175 HD23 LEU 21 2HD2 LEU 21 1.919 8.985 4.580 176 H LEU 22 H LEU 22 -2.000 5.956 4.364 177 HA LEU 22 HA LEU 22 -4.147 5.004 2.575 178 HB2 LEU 22 1HB LEU 22 -3.587 4.328 5.461 179 HB3 LEU 22 2HB LEU 22 -5.106 3.962 4.664 180 HG LEU 22 HG LEU 22 -2.413 2.892 3.870 181 HD11 LEU 22 1HD1 LEU 22 -3.971 0.767 4.569 182 HD12 LEU 22 2HD1 LEU 22 -2.770 1.528 5.612 183 HD13 LEU 22 3HD1 LEU 22 -4.468 1.984 5.743 184 HD21 LEU 22 3HD2 LEU 22 -4.145 3.244 2.052 185 HD22 LEU 22 1HD2 LEU 22 -3.515 1.608 2.235 186 HD23 LEU 22 2HD2 LEU 22 -5.106 2.017 2.875 187 H CYS 23 H CYS 23 -5.975 6.151 2.571 188 HA CYS 23 HA CYS 23 -6.231 8.546 4.151 189 HB2 CYS 23 1HB CYS 23 -8.189 8.992 2.942 190 HB3 CYS 23 2HB CYS 23 -7.198 8.129 1.774 191 H GLU 24 H GLU 24 -8.057 8.850 5.657 192 HA GLU 24 HA GLU 24 -8.024 6.959 7.660 193 HB2 GLU 24 1HB GLU 24 -10.196 8.991 7.173 194 HB3 GLU 24 2HB GLU 24 -9.813 8.221 8.710 195 HG2 GLU 24 1HG GLU 24 -7.530 9.237 8.542 196 HG3 GLU 24 2HG GLU 24 -8.116 10.139 7.144 197 H LYS 25 H LYS 25 -10.100 7.151 4.903 198 HA LYS 25 HA LYS 25 -12.135 5.402 5.838 199 HB2 LYS 25 1HB LYS 25 -11.357 6.217 3.038 200 HB3 LYS 25 2HB LYS 25 -12.822 5.336 3.459 201 HG2 LYS 25 1HG LYS 25 -13.694 7.177 4.664 202 HG3 LYS 25 2HG LYS 25 -12.151 8.031 4.611 203 HD2 LYS 25 1HD LYS 25 -12.351 8.333 2.230 204 HD3 LYS 25 2HD LYS 25 -13.818 7.352 2.190 205 HE2 LYS 25 1HE LYS 25 -14.407 9.692 2.093 206 HE3 LYS 25 2HE LYS 25 -14.931 9.019 3.635 207 HZ1 LYS 25 3HZ LYS 25 -13.298 10.149 4.784 208 HZ2 LYS 25 1HZ LYS 25 -13.740 11.280 3.597 209 HZ3 LYS 25 2HZ LYS 25 -12.321 10.373 3.414 210 H CYS 26 H CYS 26 -8.976 4.831 4.488 211 HA CYS 26 HA CYS 26 -9.638 1.959 4.387 212 HB2 CYS 26 1HB CYS 26 -7.374 3.147 2.790 213 HB3 CYS 26 2HB CYS 26 -8.117 1.565 2.616 214 H ASP 27 H ASP 27 -8.568 3.965 6.396 215 HA ASP 27 HA ASP 27 -5.830 3.511 6.803 216 HB2 ASP 27 1HB ASP 27 -6.990 5.441 7.712 217 HB3 ASP 27 2HB ASP 27 -7.975 4.402 8.734 218 H GLY 28 H GLY 28 -4.726 1.978 7.790 219 HA2 GLY 28 2HA GLY 28 -4.276 0.285 9.335 220 HA3 GLY 28 1HA GLY 28 -5.979 0.246 9.760 221 H LYS 29 H LYS 29 -6.711 0.039 6.872 222 HA LYS 29 HA LYS 29 -6.854 -2.787 6.732 223 HB2 LYS 29 1HB LYS 29 -7.398 -0.695 4.616 224 HB3 LYS 29 2HB LYS 29 -7.795 -2.398 4.462 225 HG2 LYS 29 1HG LYS 29 -9.368 -2.240 6.287 226 HG3 LYS 29 2HG LYS 29 -8.920 -0.552 6.555 227 HD2 LYS 29 1HD LYS 29 -9.798 0.100 4.445 228 HD3 LYS 29 2HD LYS 29 -10.022 -1.577 3.948 229 HE2 LYS 29 1HE LYS 29 -12.156 -0.658 4.546 230 HE3 LYS 29 2HE LYS 29 -11.685 -1.840 5.766 231 HZ1 LYS 29 3HZ LYS 29 -12.565 0.622 6.317 232 HZ2 LYS 29 1HZ LYS 29 -10.893 0.889 6.336 233 HZ3 LYS 29 2HZ LYS 29 -11.571 -0.281 7.353 234 H CYS 30 H CYS 30 -5.547 -4.237 5.785 235 HA CYS 30 HA CYS 30 -3.039 -3.453 4.632 236 HB2 CYS 30 1HB CYS 30 -3.149 -5.530 5.840 237 HB3 CYS 30 2HB CYS 30 -4.486 -6.098 4.848 238 HA PRO 31 HA PRO 31 -4.854 -2.337 0.723 239 HB2 PRO 31 1HB PRO 31 -2.030 -2.691 -0.167 240 HB3 PRO 31 2HB PRO 31 -3.125 -1.325 -0.411 241 HG2 PRO 31 1HG PRO 31 -1.181 -1.185 1.393 242 HG3 PRO 31 2HG PRO 31 -2.780 -0.494 1.729 243 HD2 PRO 31 1HD PRO 31 -1.546 -3.012 2.745 244 HD3 PRO 31 2HD PRO 31 -2.637 -1.875 3.564 245 H ILE 32 H ILE 32 -2.492 -4.951 0.848 246 HA ILE 32 HA ILE 32 -2.956 -6.026 -1.662 247 HB ILE 32 HB ILE 32 -2.120 -7.538 0.813 248 HG12 ILE 32 1HG1 ILE 32 -0.783 -5.425 0.123 249 HG13 ILE 32 2HG1 ILE 32 0.100 -6.917 0.417 250 HG21 ILE 32 1HG2 ILE 32 -0.909 -8.946 -0.906 251 HG22 ILE 32 2HG2 ILE 32 -2.665 -9.110 -0.852 252 HG23 ILE 32 3HG2 ILE 32 -1.907 -8.147 -2.121 253 HD11 ILE 32 3HD1 ILE 32 0.725 -7.131 -1.741 254 HD12 ILE 32 1HD1 ILE 32 -0.751 -6.384 -2.364 255 HD13 ILE 32 2HD1 ILE 32 0.532 -5.377 -1.696 256 H CYS 33 H CYS 33 -4.482 -6.919 1.438 257 HA CYS 33 HA CYS 33 -6.244 -8.702 -0.093 258 HB2 CYS 33 1HB CYS 33 -6.334 -10.134 1.868 259 HB3 CYS 33 2HB CYS 33 -4.662 -9.843 1.402 260 H ASP 34 H ASP 34 -6.263 -5.973 1.961 261 HA ASP 34 HA ASP 34 -7.918 -4.710 2.874 262 HB2 ASP 34 1HB ASP 34 -9.147 -5.182 0.721 263 HB3 ASP 34 2HB ASP 34 -9.905 -6.550 1.525 264 H SER 35 H SER 35 -7.070 -5.623 4.810 265 HA SER 35 HA SER 35 -9.001 -6.845 6.510 266 HB2 SER 35 1HB SER 35 -8.306 -8.840 5.235 267 HB3 SER 35 2HB SER 35 -6.623 -8.519 5.643 268 HG SER 35 HG SER 35 -7.546 -10.088 7.020 269 H TYR 36 H TYR 36 -8.371 -6.730 8.695 270 HA TYR 36 HA TYR 36 -5.938 -5.149 9.177 271 HB2 TYR 36 1HB TYR 36 -8.208 -5.777 11.082 272 HB3 TYR 36 2HB TYR 36 -6.874 -4.676 11.382 273 HD1 TYR 36 HD2 TYR 36 -9.749 -5.182 9.052 274 HD2 TYR 36 HD1 TYR 36 -7.169 -2.417 11.005 275 HE1 TYR 36 HE2 TYR 36 -11.133 -3.321 8.243 276 HE2 TYR 36 HE1 TYR 36 -8.554 -0.554 10.208 277 HH TYR 36 HH TYR 36 -10.831 -0.153 9.481 278 H VAL 37 H VAL 37 -5.871 -8.019 8.605 279 HA VAL 37 HA VAL 37 -5.648 -9.400 11.072 280 HB VAL 37 HB VAL 37 -6.396 -10.568 9.102 281 HG11 VAL 37 1HG1 VAL 37 -5.446 -10.024 7.165 282 HG12 VAL 37 2HG1 VAL 37 -3.954 -9.495 7.944 283 HG13 VAL 37 3HG1 VAL 37 -4.208 -11.204 7.593 284 HG21 VAL 37 3HG2 VAL 37 -4.348 -11.464 10.865 285 HG22 VAL 37 1HG2 VAL 37 -5.673 -12.384 10.142 286 HG23 VAL 37 2HG2 VAL 37 -4.132 -12.239 9.291 287 H ARG 38 H ARG 38 -4.183 -7.828 11.962 288 HA ARG 38 HA ARG 38 -2.217 -7.274 12.934 289 HB2 ARG 38 1HB ARG 38 -1.457 -10.031 11.970 290 HB3 ARG 38 2HB ARG 38 -0.509 -9.077 13.102 291 HG2 ARG 38 1HG ARG 38 -3.365 -9.870 13.608 292 HG3 ARG 38 2HG ARG 38 -1.982 -10.843 14.111 293 HD2 ARG 38 1HD ARG 38 -2.599 -9.547 15.994 294 HD3 ARG 38 2HD ARG 38 -1.142 -8.805 15.338 295 HE ARG 38 HE ARG 38 -3.445 -7.558 14.263 296 HH11 ARG 38 2HH1 ARG 38 -1.566 -7.775 17.212 297 HH12 ARG 38 1HH1 ARG 38 -2.071 -6.210 17.797 298 HH21 ARG 38 2HH2 ARG 38 -4.094 -5.503 15.007 299 HH22 ARG 38 1HH2 ARG 38 -3.500 -4.911 16.537 300 HA PRO 39 HA PRO 39 0.057 -5.505 9.440 301 HB2 PRO 39 1HB PRO 39 1.295 -3.612 10.914 302 HB3 PRO 39 2HB PRO 39 -0.373 -3.440 10.357 303 HG2 PRO 39 1HG PRO 39 0.645 -4.285 13.044 304 HG3 PRO 39 2HG PRO 39 -0.686 -3.183 12.649 305 HD2 PRO 39 1HD PRO 39 -1.089 -5.765 13.371 306 HD3 PRO 39 2HD PRO 39 -2.160 -4.907 12.247 307 H LYS 40 H LYS 40 2.133 -5.816 8.755 308 HA LYS 40 HA LYS 40 3.984 -7.051 10.688 309 HB2 LYS 40 1HB LYS 40 2.779 -8.637 9.121 310 HB3 LYS 40 2HB LYS 40 3.673 -7.888 7.806 311 HG2 LYS 40 1HG LYS 40 4.726 -9.955 8.514 312 HG3 LYS 40 2HG LYS 40 5.776 -8.574 8.842 313 HD2 LYS 40 1HD LYS 40 5.045 -8.575 11.177 314 HD3 LYS 40 2HD LYS 40 3.992 -9.953 10.848 315 HE2 LYS 40 1HE LYS 40 5.896 -11.341 10.338 316 HE3 LYS 40 2HE LYS 40 6.986 -9.961 10.492 317 HZ1 LYS 40 3HZ LYS 40 5.524 -11.404 12.611 318 HZ2 LYS 40 1HZ LYS 40 6.039 -9.808 12.853 319 HZ3 LYS 40 2HZ LYS 40 7.174 -11.021 12.524 320 H ARG 41 H ARG 41 3.831 -5.493 7.475 321 HA ARG 41 HA ARG 41 6.450 -4.274 8.026 322 HB2 ARG 41 1HB ARG 41 5.679 -5.922 5.630 323 HB3 ARG 41 2HB ARG 41 6.971 -4.735 5.548 324 HG2 ARG 41 1HG ARG 41 6.901 -7.041 7.482 325 HG3 ARG 41 2HG ARG 41 7.757 -7.046 5.938 326 HD2 ARG 41 1HD ARG 41 8.264 -5.237 8.298 327 HD3 ARG 41 2HD ARG 41 9.314 -6.519 7.698 328 HE ARG 41 HE ARG 41 9.201 -3.842 6.772 329 HH11 ARG 41 2HH1 ARG 41 9.695 -7.135 5.650 330 HH12 ARG 41 1HH1 ARG 41 10.528 -6.650 4.207 331 HH21 ARG 41 2HH2 ARG 41 10.314 -3.205 4.878 332 HH22 ARG 41 1HH2 ARG 41 10.917 -4.425 3.788 333 H LYS 42 H LYS 42 6.808 -2.272 7.056 334 HA LYS 42 HA LYS 42 4.510 -0.725 6.420 335 HB2 LYS 42 1HB LYS 42 7.459 -0.195 6.166 336 HB3 LYS 42 2HB LYS 42 6.259 0.969 5.625 337 HG2 LYS 42 1HG LYS 42 5.305 0.923 7.938 338 HG3 LYS 42 2HG LYS 42 6.702 -0.043 8.419 339 HD2 LYS 42 1HD LYS 42 8.201 1.739 7.743 340 HD3 LYS 42 2HD LYS 42 6.837 2.697 7.164 341 HE2 LYS 42 1HE LYS 42 5.936 2.763 9.450 342 HE3 LYS 42 2HE LYS 42 7.330 1.842 10.015 343 HZ1 LYS 42 3HZ LYS 42 7.979 3.979 10.458 344 HZ2 LYS 42 1HZ LYS 42 7.185 4.633 9.108 345 HZ3 LYS 42 2HZ LYS 42 8.639 3.779 8.907 346 H VAL 43 H VAL 43 3.654 -0.084 4.568 347 HA VAL 43 HA VAL 43 4.086 -1.697 2.267 348 HB VAL 43 HB VAL 43 2.202 0.429 3.095 349 HG11 VAL 43 1HG1 VAL 43 2.647 -0.249 0.194 350 HG12 VAL 43 2HG1 VAL 43 1.258 0.633 0.831 351 HG13 VAL 43 3HG1 VAL 43 2.876 1.324 0.958 352 HG21 VAL 43 3HG2 VAL 43 2.004 -2.296 1.851 353 HG22 VAL 43 1HG2 VAL 43 1.520 -1.790 3.469 354 HG23 VAL 43 2HG2 VAL 43 0.607 -1.243 2.063 355 H ARG 44 H ARG 44 5.212 -1.315 0.457 356 HA ARG 44 HA ARG 44 6.381 1.369 0.098 357 HB2 ARG 44 1HB ARG 44 7.501 -1.287 -0.827 358 HB3 ARG 44 2HB ARG 44 8.167 0.281 -1.248 359 HG2 ARG 44 1HG ARG 44 9.551 -0.390 0.453 360 HG3 ARG 44 2HG ARG 44 8.375 0.598 1.319 361 HD2 ARG 44 1HD ARG 44 8.905 -1.538 2.462 362 HD3 ARG 44 2HD ARG 44 7.197 -1.357 2.068 363 HE ARG 44 HE ARG 44 7.368 -3.268 0.856 364 HH11 ARG 44 2HH1 ARG 44 10.571 -1.858 1.029 365 HH12 ARG 44 1HH1 ARG 44 11.309 -3.099 0.063 366 HH21 ARG 44 2HH2 ARG 44 8.347 -4.933 -0.380 367 HH22 ARG 44 1HH2 ARG 44 10.046 -4.836 -0.740 368 H VAL 45 H VAL 45 5.668 2.424 -1.652 369 HA VAL 45 HA VAL 45 4.073 0.934 -3.599 370 HB VAL 45 HB VAL 45 3.404 3.132 -4.495 371 HG11 VAL 45 1HG1 VAL 45 2.963 3.184 -1.535 372 HG12 VAL 45 2HG1 VAL 45 1.843 3.582 -2.836 373 HG13 VAL 45 3HG1 VAL 45 2.283 1.902 -2.535 374 HG21 VAL 45 3HG2 VAL 45 5.080 4.223 -2.238 375 HG22 VAL 45 1HG2 VAL 45 5.349 4.456 -3.967 376 HG23 VAL 45 2HG2 VAL 45 3.933 5.167 -3.191 377 H CYS 46 H CYS 46 4.468 1.070 -5.835 378 HA CYS 46 HA CYS 46 7.166 0.830 -6.546 379 HB2 CYS 46 1HB CYS 46 6.453 0.464 -8.759 380 HB3 CYS 46 2HB CYS 46 5.128 -0.137 -7.773 381 H GLU 47 H GLU 47 8.487 2.154 -7.822 382 HA GLU 47 HA GLU 47 8.686 4.773 -7.032 383 HB2 GLU 47 1HB GLU 47 10.294 3.168 -8.395 384 HB3 GLU 47 2HB GLU 47 9.661 4.079 -9.760 385 HG2 GLU 47 1HG GLU 47 11.700 5.089 -9.035 386 HG3 GLU 47 2HG GLU 47 10.361 6.165 -8.630 387 H ASN 48 H ASN 48 6.937 3.476 -9.798 388 HA ASN 48 HA ASN 48 6.370 5.845 -11.163 389 HB2 ASN 48 1HB ASN 48 4.665 3.357 -10.892 390 HB3 ASN 48 2HB ASN 48 4.394 4.638 -12.067 391 HD21 ASN 48 1HD2 ASN 48 5.069 4.136 -14.001 392 HD22 ASN 48 2HD2 ASN 48 6.455 3.169 -14.386 393 H CYS 49 H CYS 49 4.622 4.264 -8.522 394 HA CYS 49 HA CYS 49 2.596 6.301 -8.393 395 HB2 CYS 49 1HB CYS 49 3.320 4.037 -6.531 396 HB3 CYS 49 2HB CYS 49 2.018 5.171 -6.200 397 H SER 50 H SER 50 5.809 6.075 -7.311 398 HA SER 50 HA SER 50 5.394 7.649 -4.924 399 HB2 SER 50 1HB SER 50 8.016 6.866 -6.194 400 HB3 SER 50 2HB SER 50 7.749 7.398 -4.540 401 HG SER 50 HG SER 50 6.551 5.068 -5.625 402 H PHE 51 H PHE 51 6.930 8.133 -8.113 403 HA PHE 51 HA PHE 51 7.463 10.892 -7.464 404 HB2 PHE 51 1HB PHE 51 8.290 11.076 -9.801 405 HB3 PHE 51 2HB PHE 51 9.108 9.862 -8.842 406 HD1 PHE 51 HD2 PHE 51 6.051 9.902 -11.027 407 HD2 PHE 51 HD1 PHE 51 9.779 8.091 -10.066 408 HE1 PHE 51 HE2 PHE 51 5.727 8.277 -12.842 409 HE2 PHE 51 HE1 PHE 51 9.467 6.474 -11.890 410 HZ PHE 51 HZ PHE 51 7.438 6.561 -13.278 411 H GLY 52 H GLY 52 4.902 9.121 -8.810 412 HA2 GLY 52 2HA GLY 52 3.691 11.216 -10.332 413 HA3 GLY 52 1HA GLY 52 2.910 9.741 -9.779 414 H LYS 53 H LYS 53 1.702 12.293 -9.797 415 HA LYS 53 HA LYS 53 1.722 13.586 -7.283 416 HB2 LYS 53 1HB LYS 53 -0.675 13.357 -9.099 417 HB3 LYS 53 2HB LYS 53 -0.292 14.656 -7.980 418 HG2 LYS 53 1HG LYS 53 1.259 13.998 -10.473 419 HG3 LYS 53 2HG LYS 53 0.063 15.286 -10.320 420 HD2 LYS 53 1HD LYS 53 1.436 16.361 -8.606 421 HD3 LYS 53 2HD LYS 53 2.623 15.062 -8.737 422 HE2 LYS 53 1HE LYS 53 3.339 17.016 -9.997 423 HE3 LYS 53 2HE LYS 53 3.022 15.654 -11.071 424 HZ1 LYS 53 3HZ LYS 53 2.135 17.823 -11.857 425 HZ2 LYS 53 1HZ LYS 53 1.060 17.820 -10.543 426 HZ3 LYS 53 2HZ LYS 53 0.958 16.607 -11.724 427 H GLN 54 H GLN 54 0.328 10.686 -8.436 428 HA GLN 54 HA GLN 54 -1.823 10.220 -6.782 429 HB2 GLN 54 1HB GLN 54 0.198 8.171 -7.689 430 HB3 GLN 54 2HB GLN 54 -1.456 7.850 -7.189 431 HG2 GLN 54 1HG GLN 54 -1.613 7.786 -9.472 432 HG3 GLN 54 2HG GLN 54 -2.086 9.444 -9.113 433 HE21 GLN 54 1HE2 GLN 54 -1.152 10.973 -10.257 434 HE22 GLN 54 2HE2 GLN 54 0.354 10.829 -11.114 435 H ALA 55 H ALA 55 1.550 10.016 -6.138 436 HA ALA 55 HA ALA 55 1.822 8.385 -3.996 437 HB1 ALA 55 3HB ALA 55 3.874 9.214 -4.006 438 HB2 ALA 55 1HB ALA 55 3.315 10.276 -5.302 439 HB3 ALA 55 2HB ALA 55 3.296 10.841 -3.627 440 H LYS 56 H LYS 56 0.514 11.653 -3.951 441 HA LYS 56 HA LYS 56 0.616 11.964 -1.124 442 HB2 LYS 56 1HB LYS 56 -1.207 13.370 -3.074 443 HB3 LYS 56 2HB LYS 56 -0.778 13.913 -1.461 444 HG2 LYS 56 1HG LYS 56 1.060 13.698 -3.839 445 HG3 LYS 56 2HG LYS 56 0.439 15.181 -3.116 446 HD2 LYS 56 1HD LYS 56 2.297 13.193 -1.809 447 HD3 LYS 56 2HD LYS 56 2.738 14.785 -2.426 448 HE2 LYS 56 1HE LYS 56 1.130 15.778 -0.804 449 HE3 LYS 56 2HE LYS 56 0.892 14.168 -0.133 450 HZ1 LYS 56 3HZ LYS 56 2.617 15.782 0.913 451 HZ2 LYS 56 1HZ LYS 56 3.620 15.236 -0.338 452 HZ3 LYS 56 2HZ LYS 56 2.976 14.131 0.778 453 H ASN 57 H ASN 57 -1.745 10.760 -3.393 454 HA ASN 57 HA ASN 57 -3.886 10.669 -1.498 455 HB2 ASN 57 1HB ASN 57 -3.889 9.101 -4.052 456 HB3 ASN 57 2HB ASN 57 -5.234 9.857 -3.219 457 HD21 ASN 57 1HD2 ASN 57 -3.332 10.030 -5.819 458 HD22 ASN 57 2HD2 ASN 57 -3.478 11.714 -6.209 459 H CYS 58 H CYS 58 -5.015 8.797 -0.926 460 HA CYS 58 HA CYS 58 -3.524 6.797 0.339 461 HB2 CYS 58 1HB CYS 58 -5.642 7.405 1.164 462 HB3 CYS 58 2HB CYS 58 -6.407 7.175 -0.398 463 H ILE 59 H ILE 59 -2.924 4.823 -0.220 464 HA ILE 59 HA ILE 59 -2.642 4.226 -2.946 465 HB ILE 59 HB ILE 59 -1.571 2.129 -2.166 466 HG12 ILE 59 1HG1 ILE 59 -2.527 3.128 0.520 467 HG13 ILE 59 2HG1 ILE 59 -2.861 1.569 -0.225 468 HG21 ILE 59 1HG2 ILE 59 -0.838 4.830 -1.665 469 HG22 ILE 59 2HG2 ILE 59 -0.198 3.818 -0.369 470 HG23 ILE 59 3HG2 ILE 59 0.199 3.456 -2.048 471 HD11 ILE 59 3HD1 ILE 59 -0.165 1.495 -0.106 472 HD12 ILE 59 1HD1 ILE 59 -0.534 2.472 1.323 473 HD13 ILE 59 2HD1 ILE 59 -1.239 0.861 1.142 474 H ILE 60 H ILE 60 -4.821 2.872 -0.512 475 HA ILE 60 HA ILE 60 -5.637 0.676 -2.084 476 HB ILE 60 HB ILE 60 -6.935 1.991 0.298 477 HG12 ILE 60 1HG1 ILE 60 -5.373 -0.573 -0.074 478 HG13 ILE 60 2HG1 ILE 60 -4.826 0.874 0.767 479 HG21 ILE 60 1HG2 ILE 60 -8.578 0.833 -1.226 480 HG22 ILE 60 2HG2 ILE 60 -7.722 -0.665 -0.864 481 HG23 ILE 60 3HG2 ILE 60 -8.505 0.236 0.432 482 HD11 ILE 60 3HD1 ILE 60 -6.905 -1.110 1.617 483 HD12 ILE 60 1HD1 ILE 60 -5.431 -0.621 2.454 484 HD13 ILE 60 2HD1 ILE 60 -6.793 0.495 2.344 485 H CYS 61 H CYS 61 -7.396 3.742 -1.395 486 HA CYS 61 HA CYS 61 -9.268 2.996 -3.481 487 HB2 CYS 61 1HB CYS 61 -10.578 4.967 -2.827 488 HB3 CYS 61 2HB CYS 61 -10.274 3.879 -1.473 489 H ASN 62 H ASN 62 -6.377 4.593 -3.381 490 HA ASN 62 HA ASN 62 -5.237 6.008 -4.754 491 HB2 ASN 62 1HB ASN 62 -5.363 5.468 -7.083 492 HB3 ASN 62 2HB ASN 62 -5.658 3.989 -6.185 493 HD21 ASN 62 1HD2 ASN 62 -7.529 2.911 -6.503 494 HD22 ASN 62 2HD2 ASN 62 -8.833 3.470 -7.493 495 H LEU 63 H LEU 63 -7.772 7.107 -3.634 496 HA LEU 63 HA LEU 63 -8.215 9.199 -5.648 497 HB2 LEU 63 1HB LEU 63 -9.909 7.151 -5.126 498 HB3 LEU 63 2HB LEU 63 -10.507 8.337 -3.996 499 HG LEU 63 HG LEU 63 -11.809 8.559 -5.954 500 HD11 LEU 63 1HD1 LEU 63 -10.445 10.779 -6.916 501 HD12 LEU 63 2HD1 LEU 63 -11.678 10.753 -5.654 502 HD13 LEU 63 3HD1 LEU 63 -9.970 10.660 -5.220 503 HD21 LEU 63 3HD2 LEU 63 -10.056 7.305 -7.312 504 HD22 LEU 63 1HD2 LEU 63 -10.992 8.552 -8.143 505 HD23 LEU 63 2HD2 LEU 63 -9.340 8.888 -7.623 506 H ASN 64 H ASN 64 -9.106 8.384 -2.288 507 HA ASN 64 HA ASN 64 -9.132 11.157 -1.522 508 HB2 ASN 64 1HB ASN 64 -9.305 8.625 0.128 509 HB3 ASN 64 2HB ASN 64 -9.473 10.250 0.786 510 HD21 ASN 64 1HD2 ASN 64 -11.177 7.654 -0.135 511 HD22 ASN 64 2HD2 ASN 64 -12.665 8.407 -0.607 512 H VAL 65 H VAL 65 -7.569 12.269 -0.388 513 HA VAL 65 HA VAL 65 -4.904 11.615 -0.805 514 HB VAL 65 HB VAL 65 -5.967 13.480 1.325 515 HG11 VAL 65 1HG1 VAL 65 -3.320 13.501 -0.121 516 HG12 VAL 65 2HG1 VAL 65 -3.844 14.621 1.135 517 HG13 VAL 65 3HG1 VAL 65 -3.568 12.923 1.527 518 HG21 VAL 65 3HG2 VAL 65 -5.094 14.349 -1.399 519 HG22 VAL 65 1HG2 VAL 65 -6.739 13.763 -1.141 520 HG23 VAL 65 2HG2 VAL 65 -6.152 15.166 -0.249 521 H GLY 66 H GLY 66 -3.326 10.653 0.376 522 HA2 GLY 66 2HA GLY 66 -4.124 8.700 2.284 523 HA3 GLY 66 1HA GLY 66 -2.480 9.045 1.767 524 H VAL 67 H VAL 67 -3.561 8.460 4.428 525 HA VAL 67 HA VAL 67 -2.813 10.952 5.804 526 HB VAL 67 HB VAL 67 -4.710 8.809 6.783 527 HG11 VAL 67 1HG1 VAL 67 -3.539 11.228 8.019 528 HG12 VAL 67 2HG1 VAL 67 -5.243 10.906 8.340 529 HG13 VAL 67 3HG1 VAL 67 -4.024 9.698 8.749 530 HG21 VAL 67 3HG2 VAL 67 -6.496 10.032 6.079 531 HG22 VAL 67 1HG2 VAL 67 -5.627 11.566 6.169 532 HG23 VAL 67 2HG2 VAL 67 -5.339 10.466 4.816 533 H ASN 68 H ASN 68 -3.114 7.450 6.510 534 HA ASN 68 HA ASN 68 -0.575 7.680 8.003 535 HB2 ASN 68 1HB ASN 68 -2.914 5.822 8.453 536 HB3 ASN 68 2HB ASN 68 -1.373 5.685 9.293 537 HD21 ASN 68 1HD2 ASN 68 -4.370 6.625 9.757 538 HD22 ASN 68 2HD2 ASN 68 -4.145 7.967 10.839 539 H ASP 69 H ASP 69 1.013 6.168 7.741 540 HA ASP 69 HA ASP 69 1.289 4.947 5.218 541 HB2 ASP 69 1HB ASP 69 2.761 4.268 7.778 542 HB3 ASP 69 2HB ASP 69 3.289 3.877 6.148 543 H ALA 70 H ALA 70 0.915 2.975 4.468 544 HA ALA 70 HA ALA 70 -0.851 1.248 5.966 545 HB1 ALA 70 3HB ALA 70 -1.573 0.650 3.958 546 HB2 ALA 70 1HB ALA 70 -0.439 1.807 3.263 547 HB3 ALA 70 2HB ALA 70 0.039 0.121 3.480 548 H PHE 71 H PHE 71 -0.495 -1.016 6.242 549 HA PHE 71 HA PHE 71 2.323 -1.852 6.182 550 HB2 PHE 71 1HB PHE 71 0.359 -2.194 8.449 551 HB3 PHE 71 2HB PHE 71 1.754 -3.246 8.267 552 HD1 PHE 71 HD2 PHE 71 1.008 0.420 8.310 553 HD2 PHE 71 HD1 PHE 71 3.583 -2.745 9.511 554 HE1 PHE 71 HE2 PHE 71 2.378 2.022 9.575 555 HE2 PHE 71 HE1 PHE 71 4.952 -1.151 10.788 556 HZ PHE 71 HZ PHE 71 4.354 1.236 10.819 557 H TYR 72 H TYR 72 2.641 -3.823 5.300 558 HA TYR 72 HA TYR 72 0.445 -5.332 4.197 559 HB2 TYR 72 1HB TYR 72 3.287 -6.272 4.662 560 HB3 TYR 72 2HB TYR 72 2.095 -7.012 3.604 561 HD1 TYR 72 HD2 TYR 72 1.520 -5.949 1.450 562 HD2 TYR 72 HD1 TYR 72 4.572 -4.389 3.966 563 HE1 TYR 72 HE2 TYR 72 2.415 -4.669 -0.446 564 HE2 TYR 72 HE1 TYR 72 5.472 -3.098 2.083 565 HH TYR 72 HH TYR 72 4.410 -3.585 -1.164 566 H CYS 73 H CYS 73 -0.682 -6.896 5.215 567 HA CYS 73 HA CYS 73 -0.289 -7.315 8.005 568 HB2 CYS 73 1HB CYS 73 -2.277 -8.575 7.944 569 HB3 CYS 73 2HB CYS 73 -2.501 -7.348 6.701 570 H TRP 74 H TRP 74 -0.232 -9.605 8.900 571 HA TRP 74 HA TRP 74 2.230 -10.706 8.335 572 HB2 TRP 74 1HB TRP 74 1.096 -11.095 10.451 573 HB3 TRP 74 2HB TRP 74 -0.130 -12.070 9.645 574 HD1 TRP 74 HD1 TRP 74 3.765 -12.217 9.667 575 HE1 TRP 74 HE1 TRP 74 4.458 -14.669 10.049 576 HE3 TRP 74 HE3 TRP 74 -0.877 -14.314 10.086 577 HZ2 TRP 74 HZ2 TRP 74 3.204 -17.153 10.480 578 HZ3 TRP 74 HZ3 TRP 74 -1.043 -16.739 10.478 579 HH2 TRP 74 HH2 TRP 74 0.956 -18.127 10.670 580 H GLU 75 H GLU 75 -0.933 -11.982 7.275 581 HA GLU 75 HA GLU 75 0.119 -14.275 6.069 582 HB2 GLU 75 1HB GLU 75 -2.057 -14.362 4.806 583 HB3 GLU 75 2HB GLU 75 -2.196 -14.288 6.555 584 HG2 GLU 75 1HG GLU 75 -2.794 -11.981 6.471 585 HG3 GLU 75 2HG GLU 75 -2.448 -11.906 4.746 586 H CYS 76 H CYS 76 -0.485 -11.068 4.704 587 HA CYS 76 HA CYS 76 0.140 -11.799 2.031 588 HB2 CYS 76 1HB CYS 76 0.122 -9.134 3.436 589 HB3 CYS 76 2HB CYS 76 0.552 -9.305 1.738 590 H CYS 77 H CYS 77 2.082 -10.603 4.736 591 HA CYS 77 HA CYS 77 4.511 -10.393 3.237 592 HB2 CYS 77 1HB CYS 77 4.066 -9.275 5.458 593 HB3 CYS 77 2HB CYS 77 4.246 -10.855 6.213 594 HG CYS 77 HG CYS 77 6.781 -9.761 4.251 595 H ARG 78 H ARG 78 2.931 -12.905 5.088 596 HA ARG 78 HA ARG 78 4.950 -14.860 5.100 597 HB2 ARG 78 1HB ARG 78 2.749 -14.824 6.375 598 HB3 ARG 78 2HB ARG 78 1.978 -15.348 4.889 599 HG2 ARG 78 1HG ARG 78 3.488 -17.352 4.932 600 HG3 ARG 78 2HG ARG 78 3.978 -16.848 6.553 601 HD2 ARG 78 1HD ARG 78 1.478 -16.783 7.084 602 HD3 ARG 78 2HD ARG 78 1.261 -17.692 5.591 603 HE ARG 78 HE ARG 78 3.190 -18.933 7.270 604 HH11 ARG 78 2HH1 ARG 78 -0.242 -18.506 6.752 605 HH12 ARG 78 1HH1 ARG 78 -0.700 -19.892 7.701 606 HH21 ARG 78 2HH2 ARG 78 2.602 -20.760 8.551 607 HH22 ARG 78 1HH2 ARG 78 0.917 -21.163 8.740 608 H LEU 79 H LEU 79 2.353 -14.147 2.806 609 HA LEU 79 HA LEU 79 3.010 -16.215 0.957 610 HB2 LEU 79 1HB LEU 79 1.445 -13.656 0.624 611 HB3 LEU 79 2HB LEU 79 1.561 -14.902 -0.603 612 HG LEU 79 HG LEU 79 0.320 -15.230 2.131 613 HD11 LEU 79 1HD1 LEU 79 -1.754 -15.040 1.151 614 HD12 LEU 79 2HD1 LEU 79 -0.827 -13.842 0.248 615 HD13 LEU 79 3HD1 LEU 79 -1.148 -15.425 -0.460 616 HD21 LEU 79 3HD2 LEU 79 0.036 -17.437 1.727 617 HD22 LEU 79 1HD2 LEU 79 -0.099 -17.216 -0.018 618 HD23 LEU 79 2HD2 LEU 79 1.489 -17.209 0.754 619 H GLY 80 H GLY 80 4.034 -12.915 1.420 620 HA2 GLY 80 2HA GLY 80 6.117 -12.088 0.624 621 HA3 GLY 80 1HA GLY 80 6.060 -13.274 -0.674 622 H LYS 81 H LYS 81 3.298 -11.351 0.204 623 HA LYS 81 HA LYS 81 3.316 -10.093 -2.419 624 HB2 LYS 81 1HB LYS 81 1.272 -10.207 -0.206 625 HB3 LYS 81 2HB LYS 81 1.064 -9.234 -1.658 626 HG2 LYS 81 1HG LYS 81 1.198 -11.237 -3.038 627 HG3 LYS 81 2HG LYS 81 1.446 -12.223 -1.595 628 HD2 LYS 81 1HD LYS 81 -0.734 -11.946 -0.876 629 HD3 LYS 81 2HD LYS 81 -0.956 -10.459 -1.797 630 HE2 LYS 81 1HE LYS 81 -0.721 -13.232 -2.963 631 HE3 LYS 81 2HE LYS 81 -2.222 -12.331 -2.754 632 HZ1 LYS 81 3HZ LYS 81 -0.302 -12.162 -4.844 633 HZ2 LYS 81 1HZ LYS 81 -0.541 -10.640 -4.133 634 HZ3 LYS 81 2HZ LYS 81 -1.857 -11.499 -4.770 635 H ASP 82 H ASP 82 4.868 -9.523 0.250 636 HA ASP 82 HA ASP 82 4.506 -6.618 0.310 637 HB2 ASP 82 1HB ASP 82 6.102 -6.659 2.177 638 HB3 ASP 82 2HB ASP 82 4.769 -7.768 2.480 639 H LYS 83 H LYS 83 6.151 -9.035 -1.273 640 HA LYS 83 HA LYS 83 8.431 -7.298 -1.927 641 HB2 LYS 83 1HB LYS 83 8.237 -10.314 -2.036 642 HB3 LYS 83 2HB LYS 83 9.653 -9.368 -2.474 643 HG2 LYS 83 1HG LYS 83 9.785 -8.534 -0.168 644 HG3 LYS 83 2HG LYS 83 8.400 -9.541 0.257 645 HD2 LYS 83 1HD LYS 83 9.658 -11.542 -0.349 646 HD3 LYS 83 2HD LYS 83 11.041 -10.545 -0.807 647 HE2 LYS 83 1HE LYS 83 11.227 -9.737 1.487 648 HE3 LYS 83 2HE LYS 83 9.823 -10.697 1.948 649 HZ1 LYS 83 3HZ LYS 83 11.707 -12.372 0.702 650 HZ2 LYS 83 1HZ LYS 83 11.139 -12.418 2.299 651 HZ3 LYS 83 2HZ LYS 83 12.495 -11.480 1.906 652 H ASP 84 H ASP 84 5.767 -9.106 -3.271 653 HA ASP 84 HA ASP 84 6.826 -9.417 -5.848 654 HB2 ASP 84 1HB ASP 84 4.476 -9.792 -6.609 655 HB3 ASP 84 2HB ASP 84 4.992 -10.815 -5.280 656 H GLY 85 H GLY 85 4.452 -6.949 -4.741 657 HA2 GLY 85 2HA GLY 85 5.726 -5.113 -6.600 658 HA3 GLY 85 1HA GLY 85 4.093 -5.587 -7.021 659 H CYS 86 H CYS 86 3.605 -3.427 -6.957 660 HA CYS 86 HA CYS 86 3.758 -1.954 -4.475 661 HB2 CYS 86 1HB CYS 86 4.488 -0.721 -6.299 662 HB3 CYS 86 2HB CYS 86 3.243 -1.360 -7.358 663 HA PRO 87 HA PRO 87 -0.482 -3.039 -3.561 664 HB2 PRO 87 1HB PRO 87 -0.593 -1.851 -1.148 665 HB3 PRO 87 2HB PRO 87 0.290 -3.359 -1.427 666 HG2 PRO 87 1HG PRO 87 1.325 -0.559 -1.267 667 HG3 PRO 87 2HG PRO 87 1.984 -2.039 -0.551 668 HD2 PRO 87 1HD PRO 87 2.952 -0.942 -2.837 669 HD3 PRO 87 2HD PRO 87 2.999 -2.686 -2.505 670 H ARG 88 H ARG 88 -0.286 -0.972 -5.376 671 HA ARG 88 HA ARG 88 -2.190 1.031 -4.333 672 HB2 ARG 88 1HB ARG 88 -0.364 1.021 -6.726 673 HB3 ARG 88 2HB ARG 88 -1.764 2.078 -6.664 674 HG2 ARG 88 1HG ARG 88 0.046 2.155 -4.338 675 HG3 ARG 88 2HG ARG 88 0.664 2.810 -5.856 676 HD2 ARG 88 1HD ARG 88 -1.320 4.241 -6.028 677 HD3 ARG 88 2HD ARG 88 -1.904 3.606 -4.490 678 HE ARG 88 HE ARG 88 0.672 4.608 -4.103 679 HH11 ARG 88 2HH1 ARG 88 -2.499 5.817 -4.935 680 HH12 ARG 88 1HH1 ARG 88 -2.272 7.334 -4.130 681 HH21 ARG 88 2HH2 ARG 88 0.964 6.599 -3.017 682 HH22 ARG 88 1HH2 ARG 88 -0.315 7.769 -3.019 683 H ILE 89 H ILE 89 -4.316 0.720 -4.909 684 HA ILE 89 HA ILE 89 -4.812 -1.439 -6.776 685 HB ILE 89 HB ILE 89 -6.494 -0.036 -4.775 686 HG12 ILE 89 1HG1 ILE 89 -5.367 -2.148 -4.260 687 HG13 ILE 89 2HG1 ILE 89 -7.114 -2.363 -4.253 688 HG21 ILE 89 1HG2 ILE 89 -8.469 -1.360 -5.861 689 HG22 ILE 89 2HG2 ILE 89 -8.066 0.256 -6.440 690 HG23 ILE 89 3HG2 ILE 89 -7.530 -1.164 -7.342 691 HD11 ILE 89 3HD1 ILE 89 -7.097 -3.694 -6.108 692 HD12 ILE 89 1HD1 ILE 89 -5.648 -2.943 -6.781 693 HD13 ILE 89 2HD1 ILE 89 -5.514 -4.086 -5.438 694 H LEU 90 H LEU 90 -5.056 -1.179 -8.806 695 HA LEU 90 HA LEU 90 -5.907 1.399 -9.924 696 HB2 LEU 90 1HB LEU 90 -5.117 -1.016 -11.529 697 HB3 LEU 90 2HB LEU 90 -5.053 0.672 -11.995 698 HG LEU 90 HG LEU 90 -3.208 -0.651 -10.006 699 HD11 LEU 90 1HD1 LEU 90 -2.983 -0.058 -12.928 700 HD12 LEU 90 2HD1 LEU 90 -1.548 -0.096 -11.903 701 HD13 LEU 90 3HD1 LEU 90 -2.565 -1.529 -12.051 702 HD21 LEU 90 3HD2 LEU 90 -3.150 2.109 -11.217 703 HD22 LEU 90 1HD2 LEU 90 -3.544 1.719 -9.543 704 HD23 LEU 90 2HD2 LEU 90 -1.920 1.413 -10.162 705 H ASN 91 H ASN 91 -6.516 -2.050 -9.891 706 HA ASN 91 HA ASN 91 -9.357 -1.581 -10.543 707 HB2 ASN 91 1HB ASN 91 -8.461 -2.635 -12.465 708 HB3 ASN 91 2HB ASN 91 -7.386 -3.625 -11.505 709 HD21 ASN 91 1HD2 ASN 91 -7.837 -5.612 -11.504 710 HD22 ASN 91 2HD2 ASN 91 -9.389 -6.337 -11.639 711 H LEU 92 H LEU 92 -10.788 -3.241 -9.524 712 HA LEU 92 HA LEU 92 -10.664 -3.320 -6.877 713 HB2 LEU 92 1HB LEU 92 -12.405 -4.778 -6.824 714 HB3 LEU 92 2HB LEU 92 -12.452 -4.309 -8.510 715 HG LEU 92 HG LEU 92 -10.983 -6.793 -7.671 716 HD11 LEU 92 1HD1 LEU 92 -13.681 -7.244 -8.638 717 HD12 LEU 92 2HD1 LEU 92 -12.841 -7.944 -7.253 718 HD13 LEU 92 3HD1 LEU 92 -13.650 -6.386 -7.097 719 HD21 LEU 92 3HD2 LEU 92 -10.878 -7.240 -9.859 720 HD22 LEU 92 1HD2 LEU 92 -12.538 -6.720 -10.142 721 HD23 LEU 92 2HD2 LEU 92 -11.239 -5.527 -10.076 722 H GLY 93 H GLY 93 -9.040 -5.725 -8.883 723 HA2 GLY 93 2HA GLY 93 -6.875 -6.069 -7.328 724 HA3 GLY 93 1HA GLY 93 -8.033 -7.168 -6.590 725 H SER 94 H SER 94 -9.303 -8.385 -8.481 726 HA SER 94 HA SER 94 -9.182 -10.169 -9.860 727 HB2 SER 94 1HB SER 94 -7.012 -8.537 -11.207 728 HB3 SER 94 2HB SER 94 -7.817 -9.941 -11.909 729 HG SER 94 HG SER 94 -9.767 -8.800 -11.874 730 H ASN 95 H ASN 95 -7.798 -10.239 -7.465 731 HA ASN 95 HA ASN 95 -6.121 -12.509 -7.827 732 HB2 ASN 95 1HB ASN 95 -4.534 -10.611 -8.361 733 HB3 ASN 95 2HB ASN 95 -4.779 -10.022 -6.722 734 HD21 ASN 95 1HD2 ASN 95 -4.750 -13.430 -7.286 735 HD22 ASN 95 2HD2 ASN 95 -3.198 -13.745 -6.577 736 H ARG 96 H ARG 96 -8.515 -11.469 -6.450 737 HA ARG 96 HA ARG 96 -8.010 -11.251 -3.656 738 HB2 ARG 96 1HB ARG 96 -10.078 -10.497 -4.875 739 HB3 ARG 96 2HB ARG 96 -10.541 -12.194 -4.951 740 HG2 ARG 96 1HG ARG 96 -10.121 -12.109 -2.373 741 HG3 ARG 96 2HG ARG 96 -10.382 -10.375 -2.608 742 HD2 ARG 96 1HD ARG 96 -12.473 -10.904 -3.780 743 HD3 ARG 96 2HD ARG 96 -12.212 -12.606 -3.399 744 HE ARG 96 HE ARG 96 -13.038 -12.224 -1.322 745 HH11 ARG 96 2HH1 ARG 96 -12.054 -9.119 -2.656 746 HH12 ARG 96 1HH1 ARG 96 -12.595 -8.221 -1.271 747 HH21 ARG 96 2HH2 ARG 96 -13.714 -11.048 0.485 748 HH22 ARG 96 1HH2 ARG 96 -13.538 -9.322 0.529 749 H LEU 97 H LEU 97 -7.817 -12.787 -2.134 750 HA LEU 97 HA LEU 97 -7.681 -14.812 -1.119 751 HB2 LEU 97 1HB LEU 97 -9.111 -15.955 -3.518 752 HB3 LEU 97 2HB LEU 97 -8.865 -16.761 -1.982 753 HG LEU 97 HG LEU 97 -10.606 -14.330 -2.468 754 HD11 LEU 97 1HD1 LEU 97 -11.211 -17.220 -1.878 755 HD12 LEU 97 2HD1 LEU 97 -12.395 -15.923 -1.720 756 HD13 LEU 97 3HD1 LEU 97 -11.682 -16.279 -3.293 757 HD21 LEU 97 3HD2 LEU 97 -10.532 -13.908 -0.292 758 HD22 LEU 97 1HD2 LEU 97 -11.019 -15.564 0.071 759 HD23 LEU 97 2HD2 LEU 97 -9.309 -15.163 -0.096 760 H ASP 98 H ASP 98 -6.680 -14.391 -4.351 761 HA ASP 98 HA ASP 98 -4.881 -15.025 -5.566 762 HB2 ASP 98 1HB ASP 98 -3.729 -14.262 -3.449 763 HB3 ASP 98 2HB ASP 98 -3.660 -15.952 -2.961 764 H ARG 99 H ARG 99 -7.033 -17.005 -4.846 765 HA ARG 99 HA ARG 99 -5.568 -19.512 -5.205 766 HB2 ARG 99 1HB ARG 99 -8.500 -18.996 -4.703 767 HB3 ARG 99 2HB ARG 99 -7.793 -20.590 -4.933 768 HG2 ARG 99 1HG ARG 99 -6.348 -20.163 -2.959 769 HG3 ARG 99 2HG ARG 99 -7.237 -18.662 -2.694 770 HD2 ARG 99 1HD ARG 99 -9.313 -19.936 -2.470 771 HD3 ARG 99 2HD ARG 99 -8.426 -21.436 -2.741 772 HE ARG 99 HE ARG 99 -8.638 -19.975 -0.304 773 HH11 ARG 99 2HH1 ARG 99 -6.505 -22.087 -2.135 774 HH12 ARG 99 1HH1 ARG 99 -5.590 -22.572 -0.735 775 HH21 ARG 99 2HH2 ARG 99 -7.456 -20.644 1.531 776 HH22 ARG 99 1HH2 ARG 99 -6.154 -21.782 1.349 777 H HIS 100 H HIS 100 -5.374 -17.738 -7.282 778 HA HIS 100 HA HIS 100 -7.296 -18.477 -9.314 779 HB2 HIS 100 1HB HIS 100 -5.898 -17.050 -10.823 780 HB3 HIS 100 2HB HIS 100 -6.573 -16.209 -9.440 781 HD1 HIS 100 HD1 HIS 100 -4.558 -14.527 -10.268 782 HD2 HIS 100 HD2 HIS 100 -3.447 -18.003 -8.280 783 HE1 HIS 100 HE1 HIS 100 -2.206 -14.133 -9.477 784 HE2 HIS 100 HE2 HIS 100 -1.619 -16.178 -8.126 785 H PHE 101 H PHE 101 -6.964 -19.746 -11.043 786 HA PHE 101 HA PHE 101 -4.495 -20.842 -11.847 787 HB2 PHE 101 1HB PHE 101 -5.096 -23.262 -11.193 788 HB3 PHE 101 2HB PHE 101 -4.400 -22.224 -9.960 789 HD1 PHE 101 HD1 PHE 101 -7.912 -22.623 -11.204 790 HD2 PHE 101 HD2 PHE 101 -5.207 -22.854 -7.927 791 HE1 PHE 101 HE1 PHE 101 -9.788 -23.147 -9.698 792 HE2 PHE 101 HE2 PHE 101 -7.079 -23.373 -6.416 793 HZ PHE 101 HZ PHE 101 -9.369 -23.522 -7.302 794 H GLU 102 H GLU 102 -6.468 -19.609 -13.207 795 HA GLU 102 HA GLU 102 -8.397 -21.372 -14.304 796 HB2 GLU 102 1HB GLU 102 -8.684 -18.930 -14.303 797 HB3 GLU 102 2HB GLU 102 -7.327 -18.769 -15.409 798 HG2 GLU 102 1HG GLU 102 -9.440 -18.565 -16.587 799 HG3 GLU 102 2HG GLU 102 -8.547 -19.985 -17.126 800 H LYS 103 H LYS 103 -8.153 -22.923 -15.692 801 HA LYS 103 HA LYS 103 -7.351 -24.305 -17.276 802 HB2 LYS 103 1HB LYS 103 -6.018 -21.830 -18.394 803 HB3 LYS 103 2HB LYS 103 -6.243 -23.353 -19.245 804 HG2 LYS 103 1HG LYS 103 -8.704 -23.066 -18.980 805 HG3 LYS 103 2HG LYS 103 -8.384 -21.451 -18.341 806 HD2 LYS 103 1HD LYS 103 -7.373 -22.373 -21.020 807 HD3 LYS 103 2HD LYS 103 -8.941 -21.597 -20.809 808 HE2 LYS 103 1HE LYS 103 -6.370 -20.353 -19.871 809 HE3 LYS 103 2HE LYS 103 -7.017 -20.097 -21.491 810 HZ1 LYS 103 3HZ LYS 103 -9.042 -19.658 -19.570 811 HZ2 LYS 103 1HZ LYS 103 -8.393 -18.578 -20.702 812 HZ3 LYS 103 2HZ LYS 103 -7.677 -18.726 -19.174 813 H LYS 104 H LYS 104 -4.506 -23.491 -18.488 814 HA LYS 104 HA LYS 104 -3.153 -25.322 -16.757 815 HB2 LYS 104 1HB LYS 104 -2.874 -25.279 -19.237 816 HB3 LYS 104 2HB LYS 104 -2.017 -23.753 -19.077 817 HG2 LYS 104 1HG LYS 104 -0.490 -25.644 -19.335 818 HG3 LYS 104 2HG LYS 104 -0.277 -24.834 -17.782 819 HD2 LYS 104 1HD LYS 104 -0.205 -27.229 -17.464 820 HD3 LYS 104 2HD LYS 104 -1.662 -26.578 -16.715 821 HE2 LYS 104 1HE LYS 104 -2.254 -28.589 -17.858 822 HE3 LYS 104 2HE LYS 104 -2.925 -27.232 -18.762 823 HZ1 LYS 104 3HZ LYS 104 -0.424 -28.686 -19.438 824 HZ2 LYS 104 1HZ LYS 104 -1.095 -27.399 -20.322 825 HZ3 LYS 104 2HZ LYS 104 -1.918 -28.878 -20.215 826 H LYS 105 H LYS 105 -3.045 -21.858 -17.292 827 HA LYS 105 HA LYS 105 -0.665 -21.383 -15.820 828 HB2 LYS 105 1HB LYS 105 -2.966 -19.568 -16.541 829 HB3 LYS 105 2HB LYS 105 -1.561 -19.015 -15.645 830 HG2 LYS 105 1HG LYS 105 -1.122 -18.403 -17.844 831 HG3 LYS 105 2HG LYS 105 -0.182 -19.877 -17.615 832 HD2 LYS 105 1HD LYS 105 -1.288 -19.958 -19.757 833 HD3 LYS 105 2HD LYS 105 -2.008 -21.160 -18.685 834 HE2 LYS 105 1HE LYS 105 -3.767 -20.043 -19.878 835 HE3 LYS 105 2HE LYS 105 -3.828 -19.548 -18.187 836 HZ1 LYS 105 3HZ LYS 105 -2.199 -17.836 -19.833 837 HZ2 LYS 105 1HZ LYS 105 -3.420 -17.434 -18.727 838 HZ3 LYS 105 2HZ LYS 105 -3.827 -17.879 -20.310 839 H LYS 106 H LYS 106 -0.321 -21.262 -13.709 840 HA LYS 106 HA LYS 106 -2.574 -21.723 -11.896 841 HB2 LYS 106 1HB LYS 106 -0.248 -22.957 -11.929 842 HB3 LYS 106 2HB LYS 106 0.295 -21.549 -11.030 843 HG2 LYS 106 1HG LYS 106 -0.251 -23.232 -9.459 844 HG3 LYS 106 2HG LYS 106 -1.517 -22.008 -9.375 845 HD2 LYS 106 1HD LYS 106 -2.543 -24.176 -9.300 846 HD3 LYS 106 2HD LYS 106 -2.921 -23.429 -10.851 847 HE2 LYS 106 1HE LYS 106 -0.573 -25.274 -10.582 848 HE3 LYS 106 2HE LYS 106 -2.200 -25.924 -10.771 849 HZ1 LYS 106 3HZ LYS 106 -0.585 -24.375 -12.688 850 HZ2 LYS 106 1HZ LYS 106 -2.280 -24.309 -12.780 851 HZ3 LYS 106 2HZ LYS 106 -1.481 -25.793 -12.932 852 H VAL 107 H VAL 107 -1.505 -19.134 -13.293 853 HA VAL 107 HA VAL 107 -1.912 -17.404 -10.965 854 HB VAL 107 HB VAL 107 0.259 -16.920 -13.023 855 HG11 VAL 107 1HG1 VAL 107 -1.131 -15.124 -11.389 856 HG12 VAL 107 2HG1 VAL 107 0.450 -15.338 -10.638 857 HG13 VAL 107 3HG1 VAL 107 0.336 -14.819 -12.318 858 HG21 VAL 107 3HG2 VAL 107 0.570 -17.617 -10.107 859 HG22 VAL 107 1HG2 VAL 107 0.837 -18.732 -11.446 860 HG23 VAL 107 2HG2 VAL 107 1.865 -17.310 -11.263 Start of MODEL 12 1 H1 GLY -1 1H GLY -1 -24.218 -9.068 -24.635 2 H2 GLY -1 2H GLY -1 -25.234 -8.638 -23.348 3 H3 GLY -1 3H GLY -1 -23.865 -9.594 -23.058 4 HA2 GLY -1 1HA GLY -1 -22.404 -7.792 -23.606 5 HA3 GLY -1 2HA GLY -1 -23.787 -6.801 -24.057 6 H GLY 0 H GLY 0 -21.598 -6.695 -21.902 7 HA2 GLY 0 2HA GLY 0 -21.539 -5.638 -19.850 8 HA3 GLY 0 1HA GLY 0 -23.292 -5.545 -19.887 9 H SER 1 H SER 1 -21.051 -8.308 -19.942 10 HA SER 1 HA SER 1 -22.637 -9.861 -18.190 11 HB2 SER 1 1HB SER 1 -19.706 -10.153 -18.904 12 HB3 SER 1 2HB SER 1 -20.698 -11.386 -18.123 13 HG SER 1 HG SER 1 -21.808 -11.698 -19.958 14 H SER 2 H SER 2 -19.867 -7.750 -17.731 15 HA SER 2 HA SER 2 -18.854 -6.876 -15.907 16 HB2 SER 2 1HB SER 2 -21.351 -6.136 -15.726 17 HB3 SER 2 2HB SER 2 -21.406 -7.258 -14.366 18 HG SER 2 HG SER 2 -20.272 -5.908 -13.202 19 H ARG 3 H ARG 3 -18.159 -9.436 -16.173 20 HA ARG 3 HA ARG 3 -18.420 -10.681 -13.529 21 HB2 ARG 3 1HB ARG 3 -17.283 -11.732 -16.127 22 HB3 ARG 3 2HB ARG 3 -17.253 -12.619 -14.609 23 HG2 ARG 3 1HG ARG 3 -19.720 -11.726 -16.087 24 HG3 ARG 3 2HG ARG 3 -19.077 -13.369 -16.020 25 HD2 ARG 3 1HD ARG 3 -19.414 -13.405 -13.602 26 HD3 ARG 3 2HD ARG 3 -20.038 -11.759 -13.657 27 HE ARG 3 HE ARG 3 -21.559 -13.349 -15.396 28 HH11 ARG 3 2HH1 ARG 3 -20.934 -12.935 -11.975 29 HH12 ARG 3 1HH1 ARG 3 -22.500 -13.524 -11.485 30 HH21 ARG 3 2HH2 ARG 3 -23.630 -14.099 -14.756 31 HH22 ARG 3 1HH2 ARG 3 -24.031 -14.185 -13.064 32 H HIS 4 H HIS 4 -17.140 -8.474 -13.216 33 HA HIS 4 HA HIS 4 -14.305 -8.707 -13.733 34 HB2 HIS 4 1HB HIS 4 -15.942 -6.612 -12.288 35 HB3 HIS 4 2HB HIS 4 -14.197 -6.521 -12.485 36 HD1 HIS 4 HD1 HIS 4 -15.567 -4.219 -13.618 37 HD2 HIS 4 HD2 HIS 4 -15.162 -7.748 -15.779 38 HE1 HIS 4 HE1 HIS 4 -15.820 -3.571 -16.036 39 HE2 HIS 4 HE2 HIS 4 -15.330 -5.684 -17.323 40 H GLN 5 H GLN 5 -12.724 -9.018 -12.276 41 HA GLN 5 HA GLN 5 -13.362 -10.118 -9.653 42 HB2 GLN 5 1HB GLN 5 -10.916 -10.370 -9.462 43 HB3 GLN 5 2HB GLN 5 -11.557 -11.132 -10.912 44 HG2 GLN 5 1HG GLN 5 -10.869 -9.151 -12.210 45 HG3 GLN 5 2HG GLN 5 -10.146 -8.482 -10.747 46 HE21 GLN 5 1HE2 GLN 5 -8.207 -9.178 -10.085 47 HE22 GLN 5 2HE2 GLN 5 -7.276 -10.362 -10.923 48 H PHE 6 H PHE 6 -14.211 -7.485 -10.210 49 HA PHE 6 HA PHE 6 -14.316 -5.385 -9.375 50 HB2 PHE 6 1HB PHE 6 -12.036 -6.048 -7.520 51 HB3 PHE 6 2HB PHE 6 -13.116 -4.675 -7.407 52 HD1 PHE 6 HD1 PHE 6 -12.867 -8.325 -7.057 53 HD2 PHE 6 HD2 PHE 6 -15.190 -4.843 -6.311 54 HE1 PHE 6 HE1 PHE 6 -14.336 -9.631 -5.563 55 HE2 PHE 6 HE2 PHE 6 -16.670 -6.137 -4.825 56 HZ PHE 6 HZ PHE 6 -16.242 -8.534 -4.448 57 H ASP 7 H ASP 7 -11.490 -6.865 -10.489 58 HA ASP 7 HA ASP 7 -9.863 -6.272 -11.910 59 HB2 ASP 7 1HB ASP 7 -11.938 -4.231 -12.367 60 HB3 ASP 7 2HB ASP 7 -10.331 -3.842 -12.971 61 H LEU 8 H LEU 8 -9.308 -5.835 -9.272 62 HA LEU 8 HA LEU 8 -8.050 -3.226 -9.000 63 HB2 LEU 8 1HB LEU 8 -7.553 -5.471 -7.116 64 HB3 LEU 8 2HB LEU 8 -7.672 -3.747 -6.803 65 HG LEU 8 HG LEU 8 -10.172 -4.346 -7.706 66 HD11 LEU 8 1HD1 LEU 8 -10.147 -6.614 -7.736 67 HD12 LEU 8 2HD1 LEU 8 -8.964 -6.730 -6.434 68 HD13 LEU 8 3HD1 LEU 8 -10.641 -6.342 -6.057 69 HD21 LEU 8 3HD2 LEU 8 -9.445 -2.957 -5.780 70 HD22 LEU 8 1HD2 LEU 8 -10.872 -3.952 -5.468 71 HD23 LEU 8 2HD2 LEU 8 -9.297 -4.439 -4.834 72 H ILE 9 H ILE 9 -6.983 -4.166 -11.142 73 HA ILE 9 HA ILE 9 -4.743 -5.898 -10.757 74 HB ILE 9 HB ILE 9 -5.628 -4.206 -13.094 75 HG12 ILE 9 1HG1 ILE 9 -5.927 -6.441 -14.151 76 HG13 ILE 9 2HG1 ILE 9 -5.457 -7.195 -12.635 77 HG21 ILE 9 1HG2 ILE 9 -3.210 -4.231 -13.154 78 HG22 ILE 9 2HG2 ILE 9 -3.197 -5.985 -12.945 79 HG23 ILE 9 3HG2 ILE 9 -3.855 -5.277 -14.423 80 HD11 ILE 9 3HD1 ILE 9 -7.921 -7.091 -13.101 81 HD12 ILE 9 1HD1 ILE 9 -7.401 -6.434 -11.544 82 HD13 ILE 9 2HD1 ILE 9 -7.804 -5.341 -12.873 83 H MET 10 H MET 10 -4.123 -4.587 -8.904 84 HA MET 10 HA MET 10 -3.309 -2.022 -8.878 85 HB2 MET 10 1HB MET 10 -1.620 -2.703 -7.077 86 HB3 MET 10 2HB MET 10 -3.314 -3.062 -6.806 87 HG2 MET 10 1HG MET 10 -2.989 -5.362 -7.326 88 HG3 MET 10 2HG MET 10 -1.335 -5.058 -7.853 89 HE1 MET 10 3HE MET 10 -2.874 -4.727 -3.549 90 HE2 MET 10 1HE MET 10 -2.492 -3.201 -4.348 91 HE3 MET 10 2HE MET 10 -3.722 -4.270 -5.028 92 H CYS 11 H CYS 11 -1.416 -0.889 -8.944 93 HA CYS 11 HA CYS 11 -0.095 -0.791 -11.265 94 HB2 CYS 11 1HB CYS 11 -0.083 0.934 -9.555 95 HB3 CYS 11 2HB CYS 11 0.964 -0.045 -8.543 96 H LEU 12 H LEU 12 1.333 -2.224 -8.349 97 HA LEU 12 HA LEU 12 3.026 -3.664 -7.996 98 HB2 LEU 12 1HB LEU 12 1.673 -4.873 -10.387 99 HB3 LEU 12 2HB LEU 12 2.874 -5.715 -9.421 100 HG LEU 12 HG LEU 12 0.245 -4.644 -8.407 101 HD11 LEU 12 1HD1 LEU 12 0.430 -6.779 -9.927 102 HD12 LEU 12 2HD1 LEU 12 0.956 -7.522 -8.416 103 HD13 LEU 12 3HD1 LEU 12 -0.622 -6.739 -8.512 104 HD21 LEU 12 3HD2 LEU 12 1.970 -4.532 -6.710 105 HD22 LEU 12 1HD2 LEU 12 0.829 -5.824 -6.341 106 HD23 LEU 12 2HD2 LEU 12 2.411 -6.213 -7.021 107 H LYS 13 H LYS 13 4.023 -1.466 -9.336 108 HA LYS 13 HA LYS 13 5.981 -2.447 -11.248 109 HB2 LYS 13 1HB LYS 13 5.526 0.182 -9.878 110 HB3 LYS 13 2HB LYS 13 7.080 -0.169 -10.615 111 HG2 LYS 13 1HG LYS 13 5.942 -0.553 -12.756 112 HG3 LYS 13 2HG LYS 13 4.416 -0.091 -11.993 113 HD2 LYS 13 1HD LYS 13 5.210 2.123 -11.574 114 HD3 LYS 13 2HD LYS 13 6.855 1.686 -12.054 115 HE2 LYS 13 1HE LYS 13 6.086 1.266 -14.308 116 HE3 LYS 13 2HE LYS 13 4.444 1.666 -13.836 117 HZ1 LYS 13 3HZ LYS 13 6.771 3.482 -14.005 118 HZ2 LYS 13 1HZ LYS 13 5.309 3.916 -13.268 119 HZ3 LYS 13 2HZ LYS 13 5.343 3.538 -14.917 120 H GLN 14 H GLN 14 8.323 -1.587 -10.457 121 HA GLN 14 HA GLN 14 9.063 -3.230 -8.208 122 HB2 GLN 14 1HB GLN 14 10.414 -2.317 -10.388 123 HB3 GLN 14 2HB GLN 14 10.947 -1.163 -9.175 124 HG2 GLN 14 1HG GLN 14 11.166 -4.153 -8.939 125 HG3 GLN 14 2HG GLN 14 12.469 -3.070 -9.424 126 HE21 GLN 14 1HE2 GLN 14 11.311 -4.796 -6.943 127 HE22 GLN 14 2HE2 GLN 14 11.950 -3.884 -5.609 128 HA PRO 15 HA PRO 15 7.808 0.029 -5.452 129 HB2 PRO 15 1HB PRO 15 8.396 -1.290 -3.135 130 HB3 PRO 15 2HB PRO 15 6.916 -1.525 -4.064 131 HG2 PRO 15 1HG PRO 15 9.351 -3.223 -3.920 132 HG3 PRO 15 2HG PRO 15 7.659 -3.704 -4.130 133 HD2 PRO 15 1HD PRO 15 9.505 -3.612 -6.159 134 HD3 PRO 15 2HD PRO 15 7.753 -3.463 -6.398 135 H GLY 16 H GLY 16 8.772 1.672 -4.355 136 HA2 GLY 16 2HA GLY 16 11.708 1.561 -4.213 137 HA3 GLY 16 1HA GLY 16 10.740 3.028 -4.258 138 H VAL 17 H VAL 17 11.969 3.730 -2.433 139 HA VAL 17 HA VAL 17 11.775 2.332 0.065 140 HB VAL 17 HB VAL 17 13.707 3.769 -0.518 141 HG11 VAL 17 1HG1 VAL 17 12.853 6.325 0.173 142 HG12 VAL 17 2HG1 VAL 17 13.336 5.756 -1.425 143 HG13 VAL 17 3HG1 VAL 17 11.637 5.723 -0.953 144 HG21 VAL 17 3HG2 VAL 17 13.839 3.507 1.711 145 HG22 VAL 17 1HG2 VAL 17 13.432 5.222 1.735 146 HG23 VAL 17 2HG2 VAL 17 12.172 4.014 1.980 147 H GLN 18 H GLN 18 9.877 4.642 -1.615 148 HA GLN 18 HA GLN 18 8.650 5.981 0.511 149 HB2 GLN 18 1HB GLN 18 7.741 5.457 -2.316 150 HB3 GLN 18 2HB GLN 18 6.861 6.490 -1.199 151 HG2 GLN 18 1HG GLN 18 9.750 6.941 -1.867 152 HG3 GLN 18 2HG GLN 18 8.440 7.627 -2.822 153 HE21 GLN 18 1HE2 GLN 18 8.090 9.653 -2.333 154 HE22 GLN 18 2HE2 GLN 18 8.157 10.357 -0.757 155 H THR 19 H THR 19 7.124 5.466 1.891 156 HA THR 19 HA THR 19 5.922 2.835 1.830 157 HB THR 19 HB THR 19 5.457 5.074 3.807 158 HG1 THR 19 HG1 THR 19 7.720 4.381 3.513 159 HG21 THR 19 1HG2 THR 19 5.207 2.868 5.259 160 HG22 THR 19 2HG2 THR 19 4.758 2.187 3.697 161 HG23 THR 19 3HG2 THR 19 3.849 3.544 4.359 162 H GLY 20 H GLY 20 3.840 2.355 1.354 163 HA2 GLY 20 2HA GLY 20 2.344 4.146 -0.244 164 HA3 GLY 20 1HA GLY 20 1.781 2.596 0.361 165 H LEU 21 H LEU 21 0.952 5.680 0.250 166 HA LEU 21 HA LEU 21 0.248 6.180 2.989 167 HB2 LEU 21 1HB LEU 21 -0.412 7.610 0.421 168 HB3 LEU 21 2HB LEU 21 -0.986 8.137 1.990 169 HG LEU 21 HG LEU 21 1.903 7.975 1.123 170 HD11 LEU 21 1HD1 LEU 21 1.822 10.408 1.294 171 HD12 LEU 21 2HD1 LEU 21 0.665 9.815 0.103 172 HD13 LEU 21 3HD1 LEU 21 0.107 10.326 1.698 173 HD21 LEU 21 3HD2 LEU 21 2.239 7.718 3.335 174 HD22 LEU 21 1HD2 LEU 21 1.881 9.444 3.392 175 HD23 LEU 21 2HD2 LEU 21 0.616 8.267 3.754 176 H LEU 22 H LEU 22 -1.698 6.104 3.941 177 HA LEU 22 HA LEU 22 -3.959 5.024 2.381 178 HB2 LEU 22 1HB LEU 22 -3.388 4.595 5.317 179 HB3 LEU 22 2HB LEU 22 -4.822 4.050 4.472 180 HG LEU 22 HG LEU 22 -2.012 3.083 4.053 181 HD11 LEU 22 1HD1 LEU 22 -3.015 2.181 6.045 182 HD12 LEU 22 2HD1 LEU 22 -4.492 1.786 5.168 183 HD13 LEU 22 3HD1 LEU 22 -2.995 0.930 4.801 184 HD21 LEU 22 3HD2 LEU 22 -4.113 1.585 2.742 185 HD22 LEU 22 1HD2 LEU 22 -4.005 3.240 2.142 186 HD23 LEU 22 2HD2 LEU 22 -2.588 2.191 2.097 187 H CYS 23 H CYS 23 -5.931 5.976 2.709 188 HA CYS 23 HA CYS 23 -5.943 8.578 4.001 189 HB2 CYS 23 1HB CYS 23 -8.062 8.921 3.025 190 HB3 CYS 23 2HB CYS 23 -7.178 8.014 1.805 191 H GLU 24 H GLU 24 -7.543 9.020 5.702 192 HA GLU 24 HA GLU 24 -7.292 7.286 7.837 193 HB2 GLU 24 1HB GLU 24 -9.454 9.356 7.412 194 HB3 GLU 24 2HB GLU 24 -8.990 8.658 8.958 195 HG2 GLU 24 1HG GLU 24 -6.808 9.663 8.809 196 HG3 GLU 24 2HG GLU 24 -7.158 10.263 7.189 197 H LYS 25 H LYS 25 -9.667 7.292 5.294 198 HA LYS 25 HA LYS 25 -11.627 5.703 6.605 199 HB2 LYS 25 1HB LYS 25 -11.159 6.071 3.646 200 HB3 LYS 25 2HB LYS 25 -12.619 5.432 4.390 201 HG2 LYS 25 1HG LYS 25 -11.534 8.219 4.730 202 HG3 LYS 25 2HG LYS 25 -12.904 7.749 3.723 203 HD2 LYS 25 1HD LYS 25 -14.114 6.998 5.695 204 HD3 LYS 25 2HD LYS 25 -12.732 7.410 6.715 205 HE2 LYS 25 1HE LYS 25 -12.959 9.765 5.998 206 HE3 LYS 25 2HE LYS 25 -14.397 9.320 5.077 207 HZ1 LYS 25 3HZ LYS 25 -14.215 8.723 7.961 208 HZ2 LYS 25 1HZ LYS 25 -15.598 8.907 6.994 209 HZ3 LYS 25 2HZ LYS 25 -14.680 10.265 7.434 210 H CYS 26 H CYS 26 -8.671 4.914 4.928 211 HA CYS 26 HA CYS 26 -9.402 2.056 5.049 212 HB2 CYS 26 1HB CYS 26 -7.164 3.263 3.406 213 HB3 CYS 26 2HB CYS 26 -7.736 1.602 3.360 214 H ASP 27 H ASP 27 -8.466 3.893 7.142 215 HA ASP 27 HA ASP 27 -5.750 3.556 7.695 216 HB2 ASP 27 1HB ASP 27 -6.924 5.277 8.841 217 HB3 ASP 27 2HB ASP 27 -8.107 4.142 9.482 218 H GLY 28 H GLY 28 -4.603 1.968 8.420 219 HA2 GLY 28 2HA GLY 28 -3.960 0.067 9.527 220 HA3 GLY 28 1HA GLY 28 -5.501 0.113 10.365 221 H LYS 29 H LYS 29 -5.184 -0.090 6.875 222 HA LYS 29 HA LYS 29 -6.204 -2.849 7.018 223 HB2 LYS 29 1HB LYS 29 -6.561 -0.802 4.822 224 HB3 LYS 29 2HB LYS 29 -7.062 -2.478 4.709 225 HG2 LYS 29 1HG LYS 29 -8.568 -2.094 6.648 226 HG3 LYS 29 2HG LYS 29 -8.150 -0.381 6.561 227 HD2 LYS 29 1HD LYS 29 -9.047 -0.213 4.339 228 HD3 LYS 29 2HD LYS 29 -9.300 -1.957 4.263 229 HE2 LYS 29 1HE LYS 29 -10.905 -1.744 6.149 230 HE3 LYS 29 2HE LYS 29 -10.716 0.006 6.059 231 HZ1 LYS 29 3HZ LYS 29 -12.209 0.071 4.444 232 HZ2 LYS 29 1HZ LYS 29 -12.437 -1.604 4.577 233 HZ3 LYS 29 2HZ LYS 29 -11.292 -0.994 3.492 234 H CYS 30 H CYS 30 -5.205 -4.419 5.902 235 HA CYS 30 HA CYS 30 -2.625 -3.872 4.668 236 HB2 CYS 30 1HB CYS 30 -2.692 -5.844 6.010 237 HB3 CYS 30 2HB CYS 30 -4.192 -6.384 5.270 238 HA PRO 31 HA PRO 31 -4.846 -3.038 0.860 239 HB2 PRO 31 1HB PRO 31 -2.563 -3.038 -0.724 240 HB3 PRO 31 2HB PRO 31 -3.218 -1.640 0.133 241 HG2 PRO 31 1HG PRO 31 -1.002 -3.480 0.917 242 HG3 PRO 31 2HG PRO 31 -1.135 -1.724 1.127 243 HD2 PRO 31 1HD PRO 31 -1.530 -3.399 3.175 244 HD3 PRO 31 2HD PRO 31 -2.508 -1.927 2.993 245 H ILE 32 H ILE 32 -2.522 -5.617 1.256 246 HA ILE 32 HA ILE 32 -2.926 -6.910 -1.196 247 HB ILE 32 HB ILE 32 -2.100 -8.177 1.417 248 HG12 ILE 32 1HG1 ILE 32 -0.712 -6.183 0.725 249 HG13 ILE 32 2HG1 ILE 32 0.181 -7.696 0.833 250 HG21 ILE 32 1HG2 ILE 32 -2.543 -9.252 -1.185 251 HG22 ILE 32 2HG2 ILE 32 -0.824 -9.359 -0.802 252 HG23 ILE 32 3HG2 ILE 32 -2.015 -10.078 0.284 253 HD11 ILE 32 3HD1 ILE 32 0.444 -6.027 -1.195 254 HD12 ILE 32 1HD1 ILE 32 0.582 -7.777 -1.385 255 HD13 ILE 32 2HD1 ILE 32 -0.925 -6.957 -1.806 256 H CYS 33 H CYS 33 -4.568 -7.337 1.945 257 HA CYS 33 HA CYS 33 -6.382 -9.208 0.573 258 HB2 CYS 33 1HB CYS 33 -6.533 -10.509 2.632 259 HB3 CYS 33 2HB CYS 33 -4.863 -10.381 2.092 260 H ASP 34 H ASP 34 -6.244 -6.313 2.337 261 HA ASP 34 HA ASP 34 -7.819 -4.917 3.190 262 HB2 ASP 34 1HB ASP 34 -9.023 -5.317 1.076 263 HB3 ASP 34 2HB ASP 34 -9.795 -6.732 1.782 264 H SER 35 H SER 35 -7.087 -5.866 5.241 265 HA SER 35 HA SER 35 -9.294 -6.765 6.825 266 HB2 SER 35 1HB SER 35 -8.560 -8.906 5.798 267 HB3 SER 35 2HB SER 35 -6.945 -8.647 6.451 268 HG SER 35 HG SER 35 -8.495 -10.032 7.684 269 H TYR 36 H TYR 36 -8.984 -6.337 8.969 270 HA TYR 36 HA TYR 36 -6.657 -4.738 9.632 271 HB2 TYR 36 1HB TYR 36 -9.235 -5.361 11.056 272 HB3 TYR 36 2HB TYR 36 -7.915 -4.536 11.875 273 HD1 TYR 36 HD2 TYR 36 -9.788 -4.257 8.642 274 HD2 TYR 36 HD1 TYR 36 -8.037 -2.260 11.959 275 HE1 TYR 36 HE2 TYR 36 -10.577 -2.105 7.753 276 HE2 TYR 36 HE1 TYR 36 -8.828 -0.105 11.092 277 HH TYR 36 HH TYR 36 -9.418 0.829 8.781 278 H VAL 37 H VAL 37 -6.186 -7.573 9.240 279 HA VAL 37 HA VAL 37 -5.766 -8.696 11.868 280 HB VAL 37 HB VAL 37 -6.243 -10.047 9.745 281 HG11 VAL 37 1HG1 VAL 37 -3.471 -10.456 9.118 282 HG12 VAL 37 2HG1 VAL 37 -4.827 -10.086 8.051 283 HG13 VAL 37 3HG1 VAL 37 -3.943 -8.777 8.834 284 HG21 VAL 37 3HG2 VAL 37 -3.805 -11.101 11.098 285 HG22 VAL 37 1HG2 VAL 37 -5.277 -10.839 12.033 286 HG23 VAL 37 2HG2 VAL 37 -5.295 -11.933 10.648 287 H ARG 38 H ARG 38 -3.629 -9.266 12.652 288 HA ARG 38 HA ARG 38 -2.032 -7.210 13.204 289 HB2 ARG 38 1HB ARG 38 -1.249 -10.098 12.875 290 HB3 ARG 38 2HB ARG 38 -0.151 -8.893 13.531 291 HG2 ARG 38 1HG ARG 38 -2.849 -9.562 14.680 292 HG3 ARG 38 2HG ARG 38 -1.310 -10.200 15.261 293 HD2 ARG 38 1HD ARG 38 -2.115 -7.294 15.182 294 HD3 ARG 38 2HD ARG 38 -2.052 -8.310 16.621 295 HE ARG 38 HE ARG 38 0.466 -8.424 15.474 296 HH11 ARG 38 2HH1 ARG 38 -1.620 -5.987 16.903 297 HH12 ARG 38 1HH1 ARG 38 -0.296 -4.969 17.396 298 HH21 ARG 38 2HH2 ARG 38 2.201 -7.080 16.135 299 HH22 ARG 38 1HH2 ARG 38 1.855 -5.589 16.959 300 HA PRO 39 HA PRO 39 0.233 -6.273 9.462 301 HB2 PRO 39 1HB PRO 39 1.432 -4.054 10.368 302 HB3 PRO 39 2HB PRO 39 -0.297 -4.089 10.009 303 HG2 PRO 39 1HG PRO 39 1.093 -4.174 12.642 304 HG3 PRO 39 2HG PRO 39 -0.447 -3.415 12.205 305 HD2 PRO 39 1HD PRO 39 -0.130 -5.884 13.474 306 HD3 PRO 39 2HD PRO 39 -1.612 -5.287 12.704 307 H LYS 40 H LYS 40 2.431 -6.368 8.759 308 HA LYS 40 HA LYS 40 4.314 -7.300 10.828 309 HB2 LYS 40 1HB LYS 40 3.392 -9.145 9.436 310 HB3 LYS 40 2HB LYS 40 4.087 -8.377 8.016 311 HG2 LYS 40 1HG LYS 40 5.544 -10.131 8.696 312 HG3 LYS 40 2HG LYS 40 6.330 -8.597 9.074 313 HD2 LYS 40 1HD LYS 40 5.395 -8.854 11.414 314 HD3 LYS 40 2HD LYS 40 4.964 -10.505 10.962 315 HE2 LYS 40 1HE LYS 40 7.739 -9.323 10.911 316 HE3 LYS 40 2HE LYS 40 7.107 -10.410 12.145 317 HZ1 LYS 40 3HZ LYS 40 8.475 -11.184 9.964 318 HZ2 LYS 40 1HZ LYS 40 6.877 -11.421 9.447 319 HZ3 LYS 40 2HZ LYS 40 7.440 -12.185 10.854 320 H ARG 41 H ARG 41 4.021 -5.749 7.636 321 HA ARG 41 HA ARG 41 6.530 -4.329 8.136 322 HB2 ARG 41 1HB ARG 41 7.265 -6.352 7.022 323 HB3 ARG 41 2HB ARG 41 6.045 -6.157 5.772 324 HG2 ARG 41 1HG ARG 41 8.169 -5.540 4.877 325 HG3 ARG 41 2HG ARG 41 7.190 -4.084 5.048 326 HD2 ARG 41 1HD ARG 41 9.459 -3.646 5.767 327 HD3 ARG 41 2HD ARG 41 8.361 -3.556 7.141 328 HE ARG 41 HE ARG 41 9.561 -5.213 8.127 329 HH11 ARG 41 2HH1 ARG 41 10.040 -5.483 4.664 330 HH12 ARG 41 1HH1 ARG 41 11.235 -6.737 4.795 331 HH21 ARG 41 2HH2 ARG 41 11.129 -6.889 8.298 332 HH22 ARG 41 1HH2 ARG 41 11.823 -7.559 6.849 333 H LYS 42 H LYS 42 6.631 -2.334 7.177 334 HA LYS 42 HA LYS 42 4.269 -1.116 6.265 335 HB2 LYS 42 1HB LYS 42 7.146 -0.312 6.264 336 HB3 LYS 42 2HB LYS 42 5.992 0.642 5.346 337 HG2 LYS 42 1HG LYS 42 4.638 0.754 7.510 338 HG3 LYS 42 2HG LYS 42 6.108 0.180 8.302 339 HD2 LYS 42 1HD LYS 42 7.344 2.082 7.530 340 HD3 LYS 42 2HD LYS 42 5.998 2.606 6.516 341 HE2 LYS 42 1HE LYS 42 4.636 2.886 8.585 342 HE3 LYS 42 2HE LYS 42 6.083 2.527 9.528 343 HZ1 LYS 42 3HZ LYS 42 6.924 4.473 7.854 344 HZ2 LYS 42 1HZ LYS 42 6.414 4.717 9.455 345 HZ3 LYS 42 2HZ LYS 42 5.328 4.949 8.169 346 H VAL 43 H VAL 43 3.462 -0.625 4.364 347 HA VAL 43 HA VAL 43 4.141 -2.235 2.116 348 HB VAL 43 HB VAL 43 2.112 -0.131 2.713 349 HG11 VAL 43 1HG1 VAL 43 2.944 0.423 0.472 350 HG12 VAL 43 2HG1 VAL 43 2.591 -1.223 -0.048 351 HG13 VAL 43 3HG1 VAL 43 1.277 -0.154 0.449 352 HG21 VAL 43 3HG2 VAL 43 1.691 -2.448 3.332 353 HG22 VAL 43 1HG2 VAL 43 0.564 -1.905 2.089 354 HG23 VAL 43 2HG2 VAL 43 1.922 -2.943 1.656 355 H ARG 44 H ARG 44 5.307 -1.745 0.345 356 HA ARG 44 HA ARG 44 6.433 0.972 0.167 357 HB2 ARG 44 1HB ARG 44 7.609 -1.601 -0.904 358 HB3 ARG 44 2HB ARG 44 8.298 0.000 -1.124 359 HG2 ARG 44 1HG ARG 44 9.556 -0.690 0.629 360 HG3 ARG 44 2HG ARG 44 8.203 0.003 1.520 361 HD2 ARG 44 1HD ARG 44 8.534 -2.059 2.551 362 HD3 ARG 44 2HD ARG 44 7.198 -2.360 1.444 363 HE ARG 44 HE ARG 44 9.906 -3.410 1.269 364 HH11 ARG 44 2HH1 ARG 44 6.756 -3.114 -0.248 365 HH12 ARG 44 1HH1 ARG 44 7.072 -4.325 -1.445 366 HH21 ARG 44 2HH2 ARG 44 10.344 -4.976 -0.321 367 HH22 ARG 44 1HH2 ARG 44 9.120 -5.394 -1.492 368 H VAL 45 H VAL 45 5.859 2.137 -1.541 369 HA VAL 45 HA VAL 45 4.447 0.763 -3.725 370 HB VAL 45 HB VAL 45 3.626 3.037 -4.370 371 HG11 VAL 45 1HG1 VAL 45 2.570 2.924 -1.690 372 HG12 VAL 45 2HG1 VAL 45 1.792 2.545 -3.226 373 HG13 VAL 45 3HG1 VAL 45 2.728 1.310 -2.384 374 HG21 VAL 45 3HG2 VAL 45 5.568 3.953 -2.630 375 HG22 VAL 45 1HG2 VAL 45 4.279 4.915 -3.354 376 HG23 VAL 45 2HG2 VAL 45 4.062 4.218 -1.748 377 H CYS 46 H CYS 46 4.892 1.394 -5.901 378 HA CYS 46 HA CYS 46 7.668 1.612 -6.431 379 HB2 CYS 46 1HB CYS 46 7.150 1.246 -8.632 380 HB3 CYS 46 2HB CYS 46 5.677 0.632 -7.892 381 H GLU 47 H GLU 47 8.866 3.313 -7.093 382 HA GLU 47 HA GLU 47 8.243 5.765 -6.028 383 HB2 GLU 47 1HB GLU 47 10.416 4.681 -7.621 384 HB3 GLU 47 2HB GLU 47 10.165 6.403 -7.889 385 HG2 GLU 47 1HG GLU 47 10.386 6.862 -5.547 386 HG3 GLU 47 2HG GLU 47 10.445 5.141 -5.172 387 H ASN 48 H ASN 48 7.297 4.620 -9.214 388 HA ASN 48 HA ASN 48 6.886 7.192 -10.350 389 HB2 ASN 48 1HB ASN 48 5.410 4.610 -10.897 390 HB3 ASN 48 2HB ASN 48 5.372 6.052 -11.909 391 HD21 ASN 48 1HD2 ASN 48 6.869 6.286 -13.425 392 HD22 ASN 48 2HD2 ASN 48 8.264 5.280 -13.606 393 H CYS 49 H CYS 49 5.083 5.218 -8.114 394 HA CYS 49 HA CYS 49 2.867 7.139 -8.099 395 HB2 CYS 49 1HB CYS 49 3.219 4.576 -6.547 396 HB3 CYS 49 2HB CYS 49 1.778 5.589 -6.547 397 H SER 50 H SER 50 5.341 8.097 -7.341 398 HA SER 50 HA SER 50 4.791 8.804 -4.556 399 HB2 SER 50 1HB SER 50 7.571 8.175 -5.580 400 HB3 SER 50 2HB SER 50 7.124 8.629 -3.935 401 HG SER 50 HG SER 50 5.643 6.545 -4.626 402 H PHE 51 H PHE 51 6.572 9.484 -7.530 403 HA PHE 51 HA PHE 51 6.147 12.347 -6.993 404 HB2 PHE 51 1HB PHE 51 8.292 12.741 -8.290 405 HB3 PHE 51 2HB PHE 51 8.477 12.051 -6.684 406 HD1 PHE 51 HD2 PHE 51 8.100 10.896 -10.226 407 HD2 PHE 51 HD1 PHE 51 9.943 10.321 -6.434 408 HE1 PHE 51 HE2 PHE 51 9.447 9.065 -11.163 409 HE2 PHE 51 HE1 PHE 51 11.304 8.499 -7.370 410 HZ PHE 51 HZ PHE 51 11.055 7.866 -9.735 411 H GLY 52 H GLY 52 4.564 10.380 -8.490 412 HA2 GLY 52 2HA GLY 52 4.884 11.446 -11.220 413 HA3 GLY 52 1HA GLY 52 4.173 9.888 -10.834 414 H LYS 53 H LYS 53 2.303 10.289 -11.944 415 HA LYS 53 HA LYS 53 0.761 12.631 -11.691 416 HB2 LYS 53 1HB LYS 53 -1.045 11.253 -12.787 417 HB3 LYS 53 2HB LYS 53 0.478 11.345 -13.657 418 HG2 LYS 53 1HG LYS 53 1.070 9.109 -12.742 419 HG3 LYS 53 2HG LYS 53 -0.544 9.024 -12.029 420 HD2 LYS 53 1HD LYS 53 -1.575 9.111 -14.188 421 HD3 LYS 53 2HD LYS 53 -0.031 9.449 -14.970 422 HE2 LYS 53 1HE LYS 53 -0.493 7.165 -15.369 423 HE3 LYS 53 2HE LYS 53 0.756 7.210 -14.127 424 HZ1 LYS 53 3HZ LYS 53 -0.814 6.672 -12.462 425 HZ2 LYS 53 1HZ LYS 53 -1.098 5.599 -13.743 426 HZ3 LYS 53 2HZ LYS 53 -2.130 6.919 -13.507 427 H GLN 54 H GLN 54 0.518 9.490 -10.083 428 HA GLN 54 HA GLN 54 -1.241 10.759 -8.107 429 HB2 GLN 54 1HB GLN 54 -1.597 7.995 -9.278 430 HB3 GLN 54 2HB GLN 54 -2.491 8.622 -7.898 431 HG2 GLN 54 1HG GLN 54 -3.430 10.381 -9.292 432 HG3 GLN 54 2HG GLN 54 -2.530 9.772 -10.679 433 HE21 GLN 54 1HE2 GLN 54 -3.739 8.665 -12.014 434 HE22 GLN 54 2HE2 GLN 54 -5.064 7.637 -11.589 435 H ALA 55 H ALA 55 -0.567 10.493 -6.091 436 HA ALA 55 HA ALA 55 1.137 8.287 -5.284 437 HB1 ALA 55 3HB ALA 55 3.115 9.285 -5.500 438 HB2 ALA 55 1HB ALA 55 2.302 10.538 -6.440 439 HB3 ALA 55 2HB ALA 55 2.529 10.745 -4.702 440 H LYS 56 H LYS 56 -0.086 11.521 -4.522 441 HA LYS 56 HA LYS 56 0.262 11.247 -1.710 442 HB2 LYS 56 1HB LYS 56 -1.575 13.142 -3.188 443 HB3 LYS 56 2HB LYS 56 -0.996 13.314 -1.535 444 HG2 LYS 56 1HG LYS 56 0.655 13.440 -4.045 445 HG3 LYS 56 2HG LYS 56 0.243 14.783 -2.976 446 HD2 LYS 56 1HD LYS 56 1.686 14.075 -1.317 447 HD3 LYS 56 2HD LYS 56 1.662 12.399 -1.869 448 HE2 LYS 56 1HE LYS 56 3.804 13.362 -2.380 449 HE3 LYS 56 2HE LYS 56 2.913 13.082 -3.877 450 HZ1 LYS 56 3HZ LYS 56 4.014 15.478 -2.943 451 HZ2 LYS 56 1HZ LYS 56 2.329 15.668 -2.970 452 HZ3 LYS 56 2HZ LYS 56 3.153 15.210 -4.379 453 H ASN 57 H ASN 57 -2.291 10.579 -3.964 454 HA ASN 57 HA ASN 57 -4.362 10.322 -2.048 455 HB2 ASN 57 1HB ASN 57 -4.428 8.816 -4.634 456 HB3 ASN 57 2HB ASN 57 -5.747 9.567 -3.762 457 HD21 ASN 57 1HD2 ASN 57 -4.041 9.776 -6.474 458 HD22 ASN 57 2HD2 ASN 57 -4.124 11.479 -6.788 459 H CYS 58 H CYS 58 -5.178 8.623 -1.032 460 HA CYS 58 HA CYS 58 -3.620 6.636 0.019 461 HB2 CYS 58 1HB CYS 58 -5.639 7.274 1.050 462 HB3 CYS 58 2HB CYS 58 -6.576 6.934 -0.392 463 H ILE 59 H ILE 59 -2.938 4.711 -0.569 464 HA ILE 59 HA ILE 59 -3.086 3.933 -3.265 465 HB ILE 59 HB ILE 59 -1.707 2.029 -2.627 466 HG12 ILE 59 1HG1 ILE 59 -2.269 2.903 0.221 467 HG13 ILE 59 2HG1 ILE 59 -2.802 1.401 -0.524 468 HG21 ILE 59 1HG2 ILE 59 -1.143 4.769 -2.172 469 HG22 ILE 59 2HG2 ILE 59 -0.297 3.828 -0.941 470 HG23 ILE 59 3HG2 ILE 59 -0.033 3.483 -2.651 471 HD11 ILE 59 3HD1 ILE 59 -0.050 1.397 -0.872 472 HD12 ILE 59 1HD1 ILE 59 -0.293 2.042 0.762 473 HD13 ILE 59 2HD1 ILE 59 -0.973 0.469 0.313 474 H ILE 60 H ILE 60 -4.823 2.807 -0.437 475 HA ILE 60 HA ILE 60 -5.727 0.390 -1.593 476 HB ILE 60 HB ILE 60 -6.547 1.918 0.855 477 HG12 ILE 60 1HG1 ILE 60 -5.217 -0.751 0.359 478 HG13 ILE 60 2HG1 ILE 60 -4.444 0.714 0.956 479 HG21 ILE 60 1HG2 ILE 60 -7.732 -0.720 0.011 480 HG22 ILE 60 2HG2 ILE 60 -8.081 0.188 1.484 481 HG23 ILE 60 3HG2 ILE 60 -8.568 0.832 -0.085 482 HD11 ILE 60 3HD1 ILE 60 -5.583 -1.363 2.444 483 HD12 ILE 60 1HD1 ILE 60 -4.930 0.163 3.039 484 HD13 ILE 60 2HD1 ILE 60 -6.644 0.030 2.649 485 H CYS 61 H CYS 61 -7.334 3.581 -1.265 486 HA CYS 61 HA CYS 61 -9.502 2.457 -2.895 487 HB2 CYS 61 1HB CYS 61 -10.920 4.304 -2.128 488 HB3 CYS 61 2HB CYS 61 -10.311 3.339 -0.785 489 H ASN 62 H ASN 62 -6.784 4.259 -3.250 490 HA ASN 62 HA ASN 62 -6.029 5.848 -4.709 491 HB2 ASN 62 1HB ASN 62 -6.507 5.272 -7.080 492 HB3 ASN 62 2HB ASN 62 -5.959 3.915 -6.112 493 HD21 ASN 62 1HD2 ASN 62 -8.518 5.243 -7.995 494 HD22 ASN 62 2HD2 ASN 62 -9.550 3.854 -7.955 495 H LEU 63 H LEU 63 -8.066 7.032 -3.363 496 HA LEU 63 HA LEU 63 -9.248 8.754 -5.414 497 HB2 LEU 63 1HB LEU 63 -10.625 6.658 -4.298 498 HB3 LEU 63 2HB LEU 63 -11.093 7.994 -3.265 499 HG LEU 63 HG LEU 63 -12.741 7.764 -4.976 500 HD11 LEU 63 1HD1 LEU 63 -11.430 10.025 -6.249 501 HD12 LEU 63 2HD1 LEU 63 -12.942 9.948 -5.344 502 HD13 LEU 63 3HD1 LEU 63 -11.409 10.105 -4.488 503 HD21 LEU 63 3HD2 LEU 63 -10.369 7.595 -6.775 504 HD22 LEU 63 1HD2 LEU 63 -11.787 6.552 -6.682 505 HD23 LEU 63 2HD2 LEU 63 -11.916 8.155 -7.408 506 H ASN 64 H ASN 64 -9.411 8.138 -1.930 507 HA ASN 64 HA ASN 64 -9.376 10.966 -1.343 508 HB2 ASN 64 1HB ASN 64 -9.340 8.553 0.490 509 HB3 ASN 64 2HB ASN 64 -9.506 10.223 1.021 510 HD21 ASN 64 1HD2 ASN 64 -11.169 7.485 0.390 511 HD22 ASN 64 2HD2 ASN 64 -12.726 8.154 0.044 512 H VAL 65 H VAL 65 -7.653 12.098 -0.553 513 HA VAL 65 HA VAL 65 -5.048 11.231 -1.124 514 HB VAL 65 HB VAL 65 -5.861 13.462 0.754 515 HG11 VAL 65 1HG1 VAL 65 -3.417 13.725 -0.844 516 HG12 VAL 65 2HG1 VAL 65 -3.713 14.109 0.852 517 HG13 VAL 65 3HG1 VAL 65 -3.358 12.450 0.374 518 HG21 VAL 65 3HG2 VAL 65 -5.506 14.896 -1.281 519 HG22 VAL 65 1HG2 VAL 65 -5.480 13.409 -2.230 520 HG23 VAL 65 2HG2 VAL 65 -6.929 13.854 -1.330 521 H GLY 66 H GLY 66 -3.452 10.335 0.094 522 HA2 GLY 66 2HA GLY 66 -4.298 8.855 2.399 523 HA3 GLY 66 1HA GLY 66 -2.712 8.815 1.649 524 H VAL 67 H VAL 67 -2.486 8.646 4.134 525 HA VAL 67 HA VAL 67 -1.148 10.955 5.052 526 HB VAL 67 HB VAL 67 -3.396 11.805 5.439 527 HG11 VAL 67 1HG1 VAL 67 -4.029 9.764 7.491 528 HG12 VAL 67 2HG1 VAL 67 -5.107 10.754 6.508 529 HG13 VAL 67 3HG1 VAL 67 -4.293 9.359 5.796 530 HG21 VAL 67 3HG2 VAL 67 -2.381 12.821 7.134 531 HG22 VAL 67 1HG2 VAL 67 -3.077 11.585 8.181 532 HG23 VAL 67 2HG2 VAL 67 -1.453 11.374 7.528 533 H ASN 68 H ASN 68 -2.845 8.027 5.799 534 HA ASN 68 HA ASN 68 -1.077 7.254 7.978 535 HB2 ASN 68 1HB ASN 68 -3.204 5.638 6.544 536 HB3 ASN 68 2HB ASN 68 -2.426 5.220 8.062 537 HD21 ASN 68 1HD2 ASN 68 -2.603 8.135 8.881 538 HD22 ASN 68 2HD2 ASN 68 -4.243 8.320 9.388 539 H ASP 69 H ASP 69 -0.291 4.846 7.724 540 HA ASP 69 HA ASP 69 0.941 4.523 5.041 541 HB2 ASP 69 1HB ASP 69 2.095 3.809 7.761 542 HB3 ASP 69 2HB ASP 69 2.811 3.340 6.226 543 H ALA 70 H ALA 70 0.690 2.607 4.083 544 HA ALA 70 HA ALA 70 -1.104 0.694 5.282 545 HB1 ALA 70 3HB ALA 70 -1.574 0.414 3.133 546 HB2 ALA 70 1HB ALA 70 -0.116 1.277 2.636 547 HB3 ALA 70 2HB ALA 70 -0.044 -0.453 2.985 548 H PHE 71 H PHE 71 -0.633 -1.410 5.854 549 HA PHE 71 HA PHE 71 2.213 -2.132 5.977 550 HB2 PHE 71 1HB PHE 71 0.113 -2.379 8.123 551 HB3 PHE 71 2HB PHE 71 1.518 -3.434 8.102 552 HD1 PHE 71 HD2 PHE 71 0.752 0.224 7.885 553 HD2 PHE 71 HD1 PHE 71 3.281 -2.839 9.403 554 HE1 PHE 71 HE2 PHE 71 2.029 1.908 9.143 555 HE2 PHE 71 HE1 PHE 71 4.558 -1.165 10.671 556 HZ PHE 71 HZ PHE 71 3.936 1.214 10.540 557 H TYR 72 H TYR 72 2.678 -4.109 5.235 558 HA TYR 72 HA TYR 72 0.620 -5.831 4.160 559 HB2 TYR 72 1HB TYR 72 3.525 -6.499 4.714 560 HB3 TYR 72 2HB TYR 72 2.415 -7.413 3.704 561 HD1 TYR 72 HD1 TYR 72 1.461 -6.151 1.629 562 HD2 TYR 72 HD2 TYR 72 4.943 -4.958 3.757 563 HE1 TYR 72 HE1 TYR 72 2.222 -4.893 -0.339 564 HE2 TYR 72 HE2 TYR 72 5.711 -3.685 1.802 565 HH TYR 72 HH TYR 72 4.665 -4.101 -1.203 566 H CYS 73 H CYS 73 -0.569 -7.123 5.404 567 HA CYS 73 HA CYS 73 -0.076 -7.304 8.168 568 HB2 CYS 73 1HB CYS 73 -2.089 -8.476 8.344 569 HB3 CYS 73 2HB CYS 73 -2.331 -7.453 6.934 570 H TRP 74 H TRP 74 0.056 -9.298 9.383 571 HA TRP 74 HA TRP 74 2.345 -10.713 9.125 572 HB2 TRP 74 1HB TRP 74 1.041 -10.746 11.116 573 HB3 TRP 74 2HB TRP 74 -0.302 -11.510 10.300 574 HD1 TRP 74 HD1 TRP 74 -0.503 -13.628 11.636 575 HE1 TRP 74 HE1 TRP 74 0.996 -15.677 12.118 576 HE3 TRP 74 HE3 TRP 74 3.826 -11.896 9.614 577 HZ2 TRP 74 HZ2 TRP 74 3.689 -16.429 11.676 578 HZ3 TRP 74 HZ3 TRP 74 5.829 -13.327 9.678 579 HH2 TRP 74 HH2 TRP 74 5.756 -15.552 10.682 580 H GLU 75 H GLU 75 -0.820 -11.926 8.171 581 HA GLU 75 HA GLU 75 0.097 -14.358 7.230 582 HB2 GLU 75 1HB GLU 75 -2.398 -12.871 6.389 583 HB3 GLU 75 2HB GLU 75 -2.099 -14.584 6.121 584 HG2 GLU 75 1HG GLU 75 -2.254 -13.263 8.822 585 HG3 GLU 75 2HG GLU 75 -3.572 -14.135 8.043 586 H CYS 76 H CYS 76 -0.591 -11.407 5.355 587 HA CYS 76 HA CYS 76 0.107 -12.543 2.851 588 HB2 CYS 76 1HB CYS 76 0.049 -9.657 3.737 589 HB3 CYS 76 2HB CYS 76 0.338 -10.171 2.080 590 H CYS 77 H CYS 77 1.933 -10.750 5.288 591 HA CYS 77 HA CYS 77 4.267 -10.457 3.709 592 HB2 CYS 77 1HB CYS 77 3.702 -9.116 5.760 593 HB3 CYS 77 2HB CYS 77 4.113 -10.522 6.732 594 HG CYS 77 HG CYS 77 6.480 -9.446 4.575 595 H ARG 78 H ARG 78 3.242 -12.916 6.041 596 HA ARG 78 HA ARG 78 5.643 -14.397 6.092 597 HB2 ARG 78 1HB ARG 78 3.942 -14.745 7.777 598 HB3 ARG 78 2HB ARG 78 2.777 -15.244 6.560 599 HG2 ARG 78 1HG ARG 78 3.645 -17.149 7.787 600 HG3 ARG 78 2HG ARG 78 4.099 -17.230 6.085 601 HD2 ARG 78 1HD ARG 78 6.310 -16.252 6.708 602 HD3 ARG 78 2HD ARG 78 5.841 -16.398 8.402 603 HE ARG 78 HE ARG 78 5.500 -18.894 7.193 604 HH11 ARG 78 2HH1 ARG 78 8.074 -16.726 8.159 605 HH12 ARG 78 1HH1 ARG 78 9.272 -17.987 8.247 606 HH21 ARG 78 2HH2 ARG 78 7.054 -20.542 7.315 607 HH22 ARG 78 1HH2 ARG 78 8.689 -20.166 7.768 608 H LEU 79 H LEU 79 2.755 -14.620 4.068 609 HA LEU 79 HA LEU 79 3.685 -16.833 2.515 610 HB2 LEU 79 1HB LEU 79 1.536 -14.773 2.027 611 HB3 LEU 79 2HB LEU 79 1.852 -16.114 0.946 612 HG LEU 79 HG LEU 79 1.004 -16.386 3.830 613 HD11 LEU 79 1HD1 LEU 79 -0.576 -15.505 1.850 614 HD12 LEU 79 2HD1 LEU 79 -0.742 -17.246 1.614 615 HD13 LEU 79 3HD1 LEU 79 -1.149 -16.523 3.170 616 HD21 LEU 79 3HD2 LEU 79 1.489 -18.387 1.636 617 HD22 LEU 79 1HD2 LEU 79 2.265 -18.298 3.217 618 HD23 LEU 79 2HD2 LEU 79 0.565 -18.752 3.091 619 H GLY 80 H GLY 80 4.074 -13.403 2.398 620 HA2 GLY 80 2HA GLY 80 5.490 -12.114 1.081 621 HA3 GLY 80 1HA GLY 80 5.942 -13.563 0.189 622 H LYS 81 H LYS 81 2.753 -12.174 0.838 623 HA LYS 81 HA LYS 81 2.129 -12.377 -2.000 624 HB2 LYS 81 1HB LYS 81 0.406 -11.803 0.411 625 HB3 LYS 81 2HB LYS 81 -0.190 -11.811 -1.241 626 HG2 LYS 81 1HG LYS 81 0.488 -14.173 -1.436 627 HG3 LYS 81 2HG LYS 81 0.968 -14.141 0.262 628 HD2 LYS 81 1HD LYS 81 -1.263 -15.089 0.025 629 HD3 LYS 81 2HD LYS 81 -1.329 -13.553 0.893 630 HE2 LYS 81 1HE LYS 81 -3.136 -13.681 -0.717 631 HE3 LYS 81 2HE LYS 81 -1.992 -12.425 -1.186 632 HZ1 LYS 81 3HZ LYS 81 -2.655 -14.918 -2.512 633 HZ2 LYS 81 1HZ LYS 81 -1.009 -14.514 -2.513 634 HZ3 LYS 81 2HZ LYS 81 -2.146 -13.442 -3.170 635 H ASP 82 H ASP 82 3.932 -10.291 -1.040 636 HA ASP 82 HA ASP 82 2.524 -7.806 -1.014 637 HB2 ASP 82 1HB ASP 82 4.681 -6.753 -1.211 638 HB3 ASP 82 2HB ASP 82 4.830 -8.110 -0.102 639 H LYS 83 H LYS 83 2.800 -10.034 -3.329 640 HA LYS 83 HA LYS 83 2.464 -10.160 -5.538 641 HB2 LYS 83 1HB LYS 83 1.309 -7.408 -5.114 642 HB3 LYS 83 2HB LYS 83 1.070 -8.401 -6.539 643 HG2 LYS 83 1HG LYS 83 0.008 -10.123 -5.104 644 HG3 LYS 83 2HG LYS 83 0.132 -9.001 -3.749 645 HD2 LYS 83 1HD LYS 83 -1.221 -7.372 -4.978 646 HD3 LYS 83 2HD LYS 83 -1.354 -8.505 -6.324 647 HE2 LYS 83 1HE LYS 83 -2.434 -10.123 -4.771 648 HE3 LYS 83 2HE LYS 83 -2.420 -8.868 -3.531 649 HZ1 LYS 83 3HZ LYS 83 -4.433 -9.278 -5.250 650 HZ2 LYS 83 1HZ LYS 83 -3.570 -8.062 -6.059 651 HZ3 LYS 83 2HZ LYS 83 -4.130 -7.799 -4.477 652 H ASP 84 H ASP 84 4.966 -9.122 -4.589 653 HA ASP 84 HA ASP 84 6.941 -8.778 -5.639 654 HB2 ASP 84 1HB ASP 84 6.080 -9.608 -7.731 655 HB3 ASP 84 2HB ASP 84 5.269 -8.079 -8.055 656 H GLY 85 H GLY 85 4.488 -6.226 -5.957 657 HA2 GLY 85 2HA GLY 85 6.417 -4.377 -4.905 658 HA3 GLY 85 1HA GLY 85 6.091 -4.118 -6.604 659 H CYS 86 H CYS 86 5.070 -2.362 -6.712 660 HA CYS 86 HA CYS 86 3.774 -0.934 -4.831 661 HB2 CYS 86 1HB CYS 86 4.608 -0.277 -7.121 662 HB3 CYS 86 2HB CYS 86 3.091 -0.864 -7.769 663 HA PRO 87 HA PRO 87 -0.160 -3.149 -4.652 664 HB2 PRO 87 1HB PRO 87 -0.512 -3.014 -2.031 665 HB3 PRO 87 2HB PRO 87 0.734 -4.071 -2.714 666 HG2 PRO 87 1HG PRO 87 1.016 -1.416 -1.391 667 HG3 PRO 87 2HG PRO 87 2.083 -2.825 -1.318 668 HD2 PRO 87 1HD PRO 87 2.399 -0.563 -2.969 669 HD3 PRO 87 2HD PRO 87 3.281 -2.097 -3.100 670 H ARG 88 H ARG 88 -0.108 -0.483 -5.582 671 HA ARG 88 HA ARG 88 -2.347 0.641 -4.046 672 HB2 ARG 88 1HB ARG 88 -1.618 2.752 -4.342 673 HB3 ARG 88 2HB ARG 88 -0.060 1.983 -4.594 674 HG2 ARG 88 1HG ARG 88 -0.351 2.082 -6.979 675 HG3 ARG 88 2HG ARG 88 -1.976 2.743 -6.784 676 HD2 ARG 88 1HD ARG 88 0.572 4.052 -5.854 677 HD3 ARG 88 2HD ARG 88 -0.309 4.474 -7.315 678 HE ARG 88 HE ARG 88 -0.904 5.308 -4.651 679 HH11 ARG 88 2HH1 ARG 88 -2.373 4.544 -7.729 680 HH12 ARG 88 1HH1 ARG 88 -3.750 5.564 -7.488 681 HH21 ARG 88 2HH2 ARG 88 -2.727 6.665 -4.311 682 HH22 ARG 88 1HH2 ARG 88 -3.944 6.783 -5.554 683 H ILE 89 H ILE 89 -4.231 0.961 -5.043 684 HA ILE 89 HA ILE 89 -4.653 -0.521 -7.439 685 HB ILE 89 HB ILE 89 -6.616 1.214 -5.932 686 HG12 ILE 89 1HG1 ILE 89 -5.618 -0.480 -4.466 687 HG13 ILE 89 2HG1 ILE 89 -7.298 -0.876 -4.813 688 HG21 ILE 89 1HG2 ILE 89 -6.849 -0.649 -8.216 689 HG22 ILE 89 2HG2 ILE 89 -8.101 -0.753 -6.979 690 HG23 ILE 89 3HG2 ILE 89 -7.808 0.774 -7.810 691 HD11 ILE 89 3HD1 ILE 89 -6.722 -2.850 -5.637 692 HD12 ILE 89 1HD1 ILE 89 -5.547 -2.118 -6.730 693 HD13 ILE 89 2HD1 ILE 89 -5.079 -2.533 -5.080 694 H LEU 90 H LEU 90 -5.180 0.135 -9.432 695 HA LEU 90 HA LEU 90 -5.941 2.697 -10.227 696 HB2 LEU 90 1HB LEU 90 -3.846 3.210 -11.628 697 HB3 LEU 90 2HB LEU 90 -3.823 3.614 -9.926 698 HG LEU 90 HG LEU 90 -2.634 1.281 -9.689 699 HD11 LEU 90 1HD1 LEU 90 -2.067 0.236 -11.554 700 HD12 LEU 90 2HD1 LEU 90 -2.880 1.484 -12.500 701 HD13 LEU 90 3HD1 LEU 90 -1.174 1.660 -12.090 702 HD21 LEU 90 3HD2 LEU 90 -1.615 3.962 -10.399 703 HD22 LEU 90 1HD2 LEU 90 -1.315 2.969 -8.972 704 HD23 LEU 90 2HD2 LEU 90 -0.464 2.626 -10.479 705 H ASN 91 H ASN 91 -4.318 -0.271 -11.007 706 HA ASN 91 HA ASN 91 -4.638 -1.858 -12.552 707 HB2 ASN 91 1HB ASN 91 -7.450 -1.018 -13.003 708 HB3 ASN 91 2HB ASN 91 -6.787 -2.601 -12.633 709 HD21 ASN 91 1HD2 ASN 91 -8.972 -0.857 -11.472 710 HD22 ASN 91 2HD2 ASN 91 -8.676 -0.886 -9.767 711 H LEU 92 H LEU 92 -6.681 -1.708 -14.728 712 HA LEU 92 HA LEU 92 -5.829 0.344 -16.526 713 HB2 LEU 92 1HB LEU 92 -3.779 -1.073 -16.213 714 HB3 LEU 92 2HB LEU 92 -4.667 -2.409 -16.915 715 HG LEU 92 HG LEU 92 -5.000 -0.819 -18.936 716 HD11 LEU 92 1HD1 LEU 92 -2.807 0.591 -19.090 717 HD12 LEU 92 2HD1 LEU 92 -4.228 1.240 -18.271 718 HD13 LEU 92 3HD1 LEU 92 -2.901 0.558 -17.328 719 HD21 LEU 92 3HD2 LEU 92 -3.767 -2.769 -19.265 720 HD22 LEU 92 1HD2 LEU 92 -2.659 -1.482 -19.739 721 HD23 LEU 92 2HD2 LEU 92 -2.487 -2.257 -18.165 722 H GLY 93 H GLY 93 -7.169 0.445 -18.218 723 HA2 GLY 93 2HA GLY 93 -9.077 -1.736 -18.653 724 HA3 GLY 93 1HA GLY 93 -9.183 -0.115 -19.331 725 H SER 94 H SER 94 -6.661 0.181 -20.391 726 HA SER 94 HA SER 94 -5.982 -2.067 -22.064 727 HB2 SER 94 1HB SER 94 -7.160 0.444 -23.290 728 HB3 SER 94 2HB SER 94 -6.360 -0.842 -24.194 729 HG SER 94 HG SER 94 -8.277 -1.842 -22.569 730 H ASN 95 H ASN 95 -4.206 -1.355 -23.650 731 HA ASN 95 HA ASN 95 -2.177 -0.443 -24.070 732 HB2 ASN 95 1HB ASN 95 -3.142 1.834 -22.328 733 HB3 ASN 95 2HB ASN 95 -1.608 1.832 -23.190 734 HD21 ASN 95 1HD2 ASN 95 -1.578 2.601 -25.178 735 HD22 ASN 95 2HD2 ASN 95 -2.965 2.893 -26.176 736 H ARG 96 H ARG 96 -1.830 -2.425 -22.648 737 HA ARG 96 HA ARG 96 -0.886 -2.073 -19.984 738 HB2 ARG 96 1HB ARG 96 -1.595 -4.255 -20.633 739 HB3 ARG 96 2HB ARG 96 -0.534 -4.262 -22.030 740 HG2 ARG 96 1HG ARG 96 0.307 -5.730 -20.300 741 HG3 ARG 96 2HG ARG 96 1.412 -4.381 -20.558 742 HD2 ARG 96 1HD ARG 96 1.128 -4.883 -18.179 743 HD3 ARG 96 2HD ARG 96 0.555 -3.267 -18.582 744 HE ARG 96 HE ARG 96 -1.642 -4.970 -18.725 745 HH11 ARG 96 2HH1 ARG 96 0.656 -3.956 -16.276 746 HH12 ARG 96 1HH1 ARG 96 -0.512 -3.957 -14.987 747 HH21 ARG 96 2HH2 ARG 96 -3.182 -4.993 -17.022 748 HH22 ARG 96 1HH2 ARG 96 -2.680 -4.589 -15.413 749 H LEU 97 H LEU 97 1.088 -1.568 -19.230 750 HA LEU 97 HA LEU 97 2.915 -0.183 -20.802 751 HB2 LEU 97 1HB LEU 97 4.502 -0.512 -18.854 752 HB3 LEU 97 2HB LEU 97 2.972 0.261 -18.503 753 HG LEU 97 HG LEU 97 2.210 -2.128 -17.787 754 HD11 LEU 97 1HD1 LEU 97 4.911 -2.664 -16.853 755 HD12 LEU 97 2HD1 LEU 97 3.712 -3.755 -17.551 756 HD13 LEU 97 3HD1 LEU 97 4.748 -2.790 -18.606 757 HD21 LEU 97 3HD2 LEU 97 2.828 -1.657 -15.543 758 HD22 LEU 97 1HD2 LEU 97 4.201 -0.677 -16.061 759 HD23 LEU 97 2HD2 LEU 97 2.555 -0.111 -16.346 760 H ASP 98 H ASP 98 4.834 -0.666 -21.776 761 HA ASP 98 HA ASP 98 5.038 -3.330 -22.785 762 HB2 ASP 98 1HB ASP 98 5.593 -1.200 -24.053 763 HB3 ASP 98 2HB ASP 98 7.079 -1.124 -23.112 764 H ARG 99 H ARG 99 5.968 -4.958 -21.829 765 HA ARG 99 HA ARG 99 7.346 -6.266 -20.618 766 HB2 ARG 99 1HB ARG 99 9.188 -3.890 -20.860 767 HB3 ARG 99 2HB ARG 99 9.658 -5.401 -20.092 768 HG2 ARG 99 1HG ARG 99 9.307 -6.605 -22.155 769 HG3 ARG 99 2HG ARG 99 8.718 -5.141 -22.941 770 HD2 ARG 99 1HD ARG 99 11.024 -5.594 -23.561 771 HD3 ARG 99 2HD ARG 99 10.903 -4.096 -22.641 772 HE ARG 99 HE ARG 99 11.469 -6.031 -20.777 773 HH11 ARG 99 2HH1 ARG 99 12.976 -4.852 -23.715 774 HH12 ARG 99 1HH1 ARG 99 14.597 -5.191 -23.168 775 HH21 ARG 99 2HH2 ARG 99 13.603 -6.474 -20.058 776 HH22 ARG 99 1HH2 ARG 99 14.945 -6.151 -21.112 777 H HIS 100 H HIS 100 8.283 -3.169 -19.166 778 HA HIS 100 HA HIS 100 6.622 -3.465 -16.872 779 HB2 HIS 100 1HB HIS 100 9.327 -4.616 -16.799 780 HB3 HIS 100 2HB HIS 100 9.017 -3.471 -15.501 781 HD1 HIS 100 HD1 HIS 100 9.499 -6.221 -14.597 782 HD2 HIS 100 HD2 HIS 100 5.705 -4.956 -15.752 783 HE1 HIS 100 HE1 HIS 100 7.884 -7.771 -13.448 784 HE2 HIS 100 HE2 HIS 100 5.606 -7.084 -14.275 785 H PHE 101 H PHE 101 9.874 -2.256 -17.637 786 HA PHE 101 HA PHE 101 9.084 0.466 -17.815 787 HB2 PHE 101 1HB PHE 101 10.598 1.083 -15.739 788 HB3 PHE 101 2HB PHE 101 8.895 0.707 -15.521 789 HD1 PHE 101 HD2 PHE 101 11.996 -1.371 -15.845 790 HD2 PHE 101 HD1 PHE 101 8.529 -0.409 -13.573 791 HE1 PHE 101 HE2 PHE 101 12.580 -3.122 -14.218 792 HE2 PHE 101 HE1 PHE 101 9.110 -2.152 -11.940 793 HZ PHE 101 HZ PHE 101 11.137 -3.514 -12.263 794 H GLU 102 H GLU 102 10.572 -1.410 -19.320 795 HA GLU 102 HA GLU 102 13.375 -0.839 -19.076 796 HB2 GLU 102 1HB GLU 102 12.579 -2.973 -19.996 797 HB3 GLU 102 2HB GLU 102 11.817 -2.122 -21.329 798 HG2 GLU 102 1HG GLU 102 13.905 -3.148 -22.014 799 HG3 GLU 102 2HG GLU 102 13.991 -1.392 -22.133 800 H LYS 103 H LYS 103 14.597 0.560 -20.231 801 HA LYS 103 HA LYS 103 15.148 2.429 -21.393 802 HB2 LYS 103 1HB LYS 103 12.754 1.697 -23.093 803 HB3 LYS 103 2HB LYS 103 13.988 2.871 -23.528 804 HG2 LYS 103 1HG LYS 103 15.672 1.120 -23.564 805 HG3 LYS 103 2HG LYS 103 14.462 -0.067 -23.070 806 HD2 LYS 103 1HD LYS 103 13.237 0.264 -25.123 807 HD3 LYS 103 2HD LYS 103 14.328 1.568 -25.603 808 HE2 LYS 103 1HE LYS 103 15.099 -1.320 -25.198 809 HE3 LYS 103 2HE LYS 103 14.862 -0.526 -26.755 810 HZ1 LYS 103 3HZ LYS 103 16.635 1.111 -25.680 811 HZ2 LYS 103 1HZ LYS 103 17.082 -0.258 -26.576 812 HZ3 LYS 103 2HZ LYS 103 17.084 -0.317 -24.880 813 H LYS 104 H LYS 104 13.811 2.831 -19.101 814 HA LYS 104 HA LYS 104 12.636 5.407 -19.396 815 HB2 LYS 104 1HB LYS 104 10.734 4.063 -20.173 816 HB3 LYS 104 2HB LYS 104 10.797 3.106 -18.701 817 HG2 LYS 104 1HG LYS 104 10.231 5.088 -17.390 818 HG3 LYS 104 2HG LYS 104 10.159 6.043 -18.873 819 HD2 LYS 104 1HD LYS 104 8.443 3.631 -18.285 820 HD3 LYS 104 2HD LYS 104 7.931 5.308 -18.080 821 HE2 LYS 104 1HE LYS 104 8.256 5.719 -20.454 822 HE3 LYS 104 2HE LYS 104 8.829 4.067 -20.677 823 HZ1 LYS 104 3HZ LYS 104 6.114 4.806 -19.732 824 HZ2 LYS 104 1HZ LYS 104 6.673 3.239 -20.052 825 HZ3 LYS 104 2HZ LYS 104 6.499 4.349 -21.318 826 H LYS 105 H LYS 105 13.023 2.510 -17.466 827 HA LYS 105 HA LYS 105 13.588 2.132 -15.312 828 HB2 LYS 105 1HB LYS 105 14.259 5.080 -15.291 829 HB3 LYS 105 2HB LYS 105 14.531 4.001 -13.929 830 HG2 LYS 105 1HG LYS 105 15.766 3.708 -16.659 831 HG3 LYS 105 2HG LYS 105 16.564 4.379 -15.235 832 HD2 LYS 105 1HD LYS 105 15.437 1.586 -15.389 833 HD3 LYS 105 2HD LYS 105 17.125 1.991 -15.703 834 HE2 LYS 105 1HE LYS 105 15.693 2.607 -13.124 835 HE3 LYS 105 2HE LYS 105 16.659 1.157 -13.392 836 HZ1 LYS 105 3HZ LYS 105 17.862 3.795 -13.897 837 HZ2 LYS 105 1HZ LYS 105 18.602 2.344 -13.433 838 HZ3 LYS 105 2HZ LYS 105 17.720 3.243 -12.300 839 H LYS 106 H LYS 106 13.074 4.127 -13.129 840 HA LYS 106 HA LYS 106 10.137 3.914 -13.202 841 HB2 LYS 106 1HB LYS 106 11.939 3.812 -10.777 842 HB3 LYS 106 2HB LYS 106 10.188 3.646 -10.776 843 HG2 LYS 106 1HG LYS 106 10.611 1.658 -12.372 844 HG3 LYS 106 2HG LYS 106 12.261 1.733 -11.755 845 HD2 LYS 106 1HD LYS 106 9.775 1.433 -10.080 846 HD3 LYS 106 2HD LYS 106 10.881 0.130 -10.516 847 HE2 LYS 106 1HE LYS 106 11.640 2.583 -8.932 848 HE3 LYS 106 2HE LYS 106 11.248 1.016 -8.230 849 HZ1 LYS 106 3HZ LYS 106 13.629 1.840 -9.734 850 HZ2 LYS 106 1HZ LYS 106 13.126 0.225 -9.853 851 HZ3 LYS 106 2HZ LYS 106 13.507 0.884 -8.340 852 H VAL 107 H VAL 107 11.029 6.091 -14.351 853 HA VAL 107 HA VAL 107 10.607 8.212 -12.353 854 HB VAL 107 HB VAL 107 12.215 8.539 -14.892 855 HG11 VAL 107 1HG1 VAL 107 12.463 10.694 -14.339 856 HG12 VAL 107 2HG1 VAL 107 11.042 10.428 -13.329 857 HG13 VAL 107 3HG1 VAL 107 12.656 10.335 -12.622 858 HG21 VAL 107 3HG2 VAL 107 13.947 8.774 -12.717 859 HG22 VAL 107 1HG2 VAL 107 13.011 7.311 -12.410 860 HG23 VAL 107 2HG2 VAL 107 13.910 7.484 -13.917 Start of MODEL 13 1 H1 GLY -1 1H GLY -1 -17.304 -2.201 -3.942 2 H2 GLY -1 2H GLY -1 -17.544 -1.247 -2.562 3 H3 GLY -1 3H GLY -1 -18.841 -2.110 -3.230 4 HA2 GLY -1 1HA GLY -1 -18.299 -4.005 -2.222 5 HA3 GLY -1 2HA GLY -1 -16.589 -3.764 -2.558 6 H GLY 0 H GLY 0 -15.484 -3.809 -0.719 7 HA2 GLY 0 2HA GLY 0 -14.812 -2.541 1.233 8 HA3 GLY 0 1HA GLY 0 -16.513 -2.238 1.553 9 H SER 1 H SER 1 -15.560 -5.380 0.520 10 HA SER 1 HA SER 1 -15.113 -6.462 3.141 11 HB2 SER 1 1HB SER 1 -17.626 -7.234 1.625 12 HB3 SER 1 2HB SER 1 -17.031 -8.023 3.086 13 HG SER 1 HG SER 1 -17.184 -5.393 3.531 14 H SER 2 H SER 2 -13.942 -8.339 2.986 15 HA SER 2 HA SER 2 -13.784 -9.616 0.341 16 HB2 SER 2 1HB SER 2 -11.400 -8.842 2.039 17 HB3 SER 2 2HB SER 2 -11.343 -9.682 0.488 18 HG SER 2 HG SER 2 -11.958 -7.001 1.059 19 H ARG 3 H ARG 3 -14.116 -11.695 0.485 20 HA ARG 3 HA ARG 3 -13.572 -13.080 3.027 21 HB2 ARG 3 1HB ARG 3 -15.463 -13.704 0.759 22 HB3 ARG 3 2HB ARG 3 -15.093 -14.855 2.036 23 HG2 ARG 3 1HG ARG 3 -16.191 -13.629 3.647 24 HG3 ARG 3 2HG ARG 3 -16.049 -12.121 2.743 25 HD2 ARG 3 1HD ARG 3 -17.683 -12.894 1.137 26 HD3 ARG 3 2HD ARG 3 -17.773 -14.459 1.945 27 HE ARG 3 HE ARG 3 -18.443 -12.774 3.927 28 HH11 ARG 3 2HH1 ARG 3 -19.534 -12.987 0.611 29 HH12 ARG 3 1HH1 ARG 3 -21.155 -12.471 0.969 30 HH21 ARG 3 2HH2 ARG 3 -20.563 -12.107 4.416 31 HH22 ARG 3 1HH2 ARG 3 -21.750 -11.992 3.149 32 H HIS 4 H HIS 4 -12.612 -12.685 -0.178 33 HA HIS 4 HA HIS 4 -10.497 -14.626 0.165 34 HB2 HIS 4 1HB HIS 4 -12.632 -15.610 -1.129 35 HB3 HIS 4 2HB HIS 4 -11.875 -14.773 -2.480 36 HD1 HIS 4 HD1 HIS 4 -11.927 -17.584 -3.040 37 HD2 HIS 4 HD2 HIS 4 -8.988 -16.031 -0.531 38 HE1 HIS 4 HE1 HIS 4 -10.063 -19.274 -3.043 39 HE2 HIS 4 HE2 HIS 4 -8.266 -18.285 -1.577 40 H GLN 5 H GLN 5 -10.243 -14.180 -2.980 41 HA GLN 5 HA GLN 5 -8.755 -11.701 -2.707 42 HB2 GLN 5 1HB GLN 5 -7.854 -13.570 -4.078 43 HB3 GLN 5 2HB GLN 5 -9.214 -13.389 -5.176 44 HG2 GLN 5 1HG GLN 5 -8.478 -11.125 -5.718 45 HG3 GLN 5 2HG GLN 5 -7.123 -11.304 -4.605 46 HE21 GLN 5 1HE2 GLN 5 -5.286 -11.754 -5.551 47 HE22 GLN 5 2HE2 GLN 5 -5.088 -12.628 -7.032 48 H PHE 6 H PHE 6 -9.762 -9.840 -2.841 49 HA PHE 6 HA PHE 6 -12.420 -9.655 -3.931 50 HB2 PHE 6 1HB PHE 6 -11.656 -8.508 -1.842 51 HB3 PHE 6 2HB PHE 6 -10.644 -7.468 -2.829 52 HD1 PHE 6 HD1 PHE 6 -14.203 -8.569 -2.648 53 HD2 PHE 6 HD2 PHE 6 -11.458 -5.402 -3.372 54 HE1 PHE 6 HE1 PHE 6 -16.082 -7.008 -2.926 55 HE2 PHE 6 HE2 PHE 6 -13.335 -3.831 -3.638 56 HZ PHE 6 HZ PHE 6 -15.649 -4.636 -3.420 57 H ASP 7 H ASP 7 -10.235 -10.226 -5.770 58 HA ASP 7 HA ASP 7 -9.190 -9.527 -7.667 59 HB2 ASP 7 1HB ASP 7 -10.829 -8.857 -9.426 60 HB3 ASP 7 2HB ASP 7 -11.227 -10.321 -8.548 61 H LEU 8 H LEU 8 -8.320 -7.769 -6.000 62 HA LEU 8 HA LEU 8 -8.907 -5.086 -6.435 63 HB2 LEU 8 1HB LEU 8 -6.273 -6.294 -5.645 64 HB3 LEU 8 2HB LEU 8 -6.821 -4.662 -5.318 65 HG LEU 8 HG LEU 8 -6.973 -5.823 -3.305 66 HD11 LEU 8 1HD1 LEU 8 -8.911 -4.413 -3.903 67 HD12 LEU 8 2HD1 LEU 8 -9.759 -5.886 -4.363 68 HD13 LEU 8 3HD1 LEU 8 -9.253 -5.647 -2.692 69 HD21 LEU 8 3HD2 LEU 8 -7.045 -8.129 -4.559 70 HD22 LEU 8 1HD2 LEU 8 -7.583 -7.951 -2.891 71 HD23 LEU 8 2HD2 LEU 8 -8.765 -7.981 -4.196 72 H ILE 9 H ILE 9 -6.660 -7.249 -7.815 73 HA ILE 9 HA ILE 9 -5.268 -7.256 -9.585 74 HB ILE 9 HB ILE 9 -7.442 -5.467 -10.630 75 HG12 ILE 9 1HG1 ILE 9 -7.857 -7.349 -12.122 76 HG13 ILE 9 2HG1 ILE 9 -6.406 -8.160 -11.553 77 HG21 ILE 9 1HG2 ILE 9 -4.818 -6.073 -11.959 78 HG22 ILE 9 2HG2 ILE 9 -6.275 -5.745 -12.896 79 HG23 ILE 9 3HG2 ILE 9 -5.640 -4.522 -11.796 80 HD11 ILE 9 3HD1 ILE 9 -7.961 -7.689 -9.270 81 HD12 ILE 9 1HD1 ILE 9 -9.071 -8.260 -10.517 82 HD13 ILE 9 2HD1 ILE 9 -7.661 -9.227 -10.082 83 H MET 10 H MET 10 -3.756 -6.478 -8.176 84 HA MET 10 HA MET 10 -3.332 -3.653 -7.928 85 HB2 MET 10 1HB MET 10 -1.139 -5.117 -6.831 86 HB3 MET 10 2HB MET 10 -2.393 -4.216 -5.995 87 HG2 MET 10 1HG MET 10 -3.831 -6.213 -6.054 88 HG3 MET 10 2HG MET 10 -2.520 -7.104 -6.823 89 HE1 MET 10 3HE MET 10 -2.602 -5.463 -2.557 90 HE2 MET 10 1HE MET 10 -1.797 -4.460 -3.761 91 HE3 MET 10 2HE MET 10 -3.497 -4.875 -3.958 92 H CYS 11 H CYS 11 -1.656 -2.476 -8.542 93 HA CYS 11 HA CYS 11 -0.597 -2.693 -11.050 94 HB2 CYS 11 1HB CYS 11 -0.662 -0.630 -9.827 95 HB3 CYS 11 2HB CYS 11 0.396 -1.268 -8.582 96 H LEU 12 H LEU 12 1.094 -3.394 -8.018 97 HA LEU 12 HA LEU 12 2.968 -4.566 -7.521 98 HB2 LEU 12 1HB LEU 12 1.614 -6.410 -9.475 99 HB3 LEU 12 2HB LEU 12 2.859 -6.889 -8.338 100 HG LEU 12 HG LEU 12 0.111 -5.857 -7.645 101 HD11 LEU 12 1HD1 LEU 12 0.818 -8.347 -8.450 102 HD12 LEU 12 2HD1 LEU 12 1.027 -8.472 -6.703 103 HD13 LEU 12 3HD1 LEU 12 -0.529 -7.982 -7.372 104 HD21 LEU 12 3HD2 LEU 12 2.329 -6.767 -5.814 105 HD22 LEU 12 1HD2 LEU 12 1.822 -5.094 -6.048 106 HD23 LEU 12 2HD2 LEU 12 0.710 -6.258 -5.333 107 H LYS 13 H LYS 13 3.670 -2.680 -9.469 108 HA LYS 13 HA LYS 13 5.414 -4.011 -11.368 109 HB2 LYS 13 1HB LYS 13 5.221 -1.109 -10.549 110 HB3 LYS 13 2HB LYS 13 6.293 -1.721 -11.794 111 HG2 LYS 13 1HG LYS 13 4.237 -2.535 -12.996 112 HG3 LYS 13 2HG LYS 13 3.305 -1.573 -11.842 113 HD2 LYS 13 1HD LYS 13 4.891 0.339 -12.475 114 HD3 LYS 13 2HD LYS 13 5.287 -0.653 -13.880 115 HE2 LYS 13 1HE LYS 13 2.487 0.112 -13.116 116 HE3 LYS 13 2HE LYS 13 3.492 1.043 -14.209 117 HZ1 LYS 13 3HZ LYS 13 3.477 -0.637 -15.797 118 HZ2 LYS 13 1HZ LYS 13 1.885 -0.632 -15.214 119 HZ3 LYS 13 2HZ LYS 13 2.976 -1.821 -14.691 120 H GLN 14 H GLN 14 7.631 -2.193 -11.012 121 HA GLN 14 HA GLN 14 8.968 -3.411 -8.740 122 HB2 GLN 14 1HB GLN 14 9.841 -1.520 -10.928 123 HB3 GLN 14 2HB GLN 14 10.880 -2.008 -9.611 124 HG2 GLN 14 1HG GLN 14 9.595 -3.949 -11.502 125 HG3 GLN 14 2HG GLN 14 11.190 -3.249 -11.763 126 HE21 GLN 14 1HE2 GLN 14 11.346 -3.392 -8.632 127 HE22 GLN 14 2HE2 GLN 14 11.881 -5.019 -8.375 128 HA PRO 15 HA PRO 15 7.546 0.258 -6.564 129 HB2 PRO 15 1HB PRO 15 7.948 -0.646 -4.062 130 HB3 PRO 15 2HB PRO 15 6.573 -1.153 -5.044 131 HG2 PRO 15 1HG PRO 15 9.079 -2.620 -4.402 132 HG3 PRO 15 2HG PRO 15 7.439 -3.241 -4.645 133 HD2 PRO 15 1HD PRO 15 9.489 -3.311 -6.526 134 HD3 PRO 15 2HD PRO 15 7.761 -3.503 -6.877 135 H GLY 16 H GLY 16 8.582 2.036 -5.863 136 HA2 GLY 16 2HA GLY 16 11.492 1.867 -5.598 137 HA3 GLY 16 1HA GLY 16 10.561 3.332 -5.869 138 H VAL 17 H VAL 17 11.197 4.565 -4.211 139 HA VAL 17 HA VAL 17 11.209 3.488 -1.496 140 HB VAL 17 HB VAL 17 13.052 4.986 -2.269 141 HG11 VAL 17 1HG1 VAL 17 12.704 7.350 -2.523 142 HG12 VAL 17 2HG1 VAL 17 11.645 6.491 -3.641 143 HG13 VAL 17 3HG1 VAL 17 10.989 7.178 -2.156 144 HG21 VAL 17 3HG2 VAL 17 12.350 4.695 0.143 145 HG22 VAL 17 1HG2 VAL 17 13.279 6.149 -0.224 146 HG23 VAL 17 2HG2 VAL 17 11.532 6.250 -0.002 147 H GLN 18 H GLN 18 9.155 5.121 -3.638 148 HA GLN 18 HA GLN 18 7.679 6.813 -1.994 149 HB2 GLN 18 1HB GLN 18 6.295 5.207 -4.110 150 HB3 GLN 18 2HB GLN 18 6.079 6.886 -3.668 151 HG2 GLN 18 1HG GLN 18 8.531 5.835 -5.031 152 HG3 GLN 18 2HG GLN 18 7.139 6.490 -5.873 153 HE21 GLN 18 1HE2 GLN 18 7.346 8.480 -6.468 154 HE22 GLN 18 2HE2 GLN 18 8.292 9.703 -5.688 155 H THR 19 H THR 19 6.149 6.506 -0.492 156 HA THR 19 HA THR 19 5.532 3.716 0.173 157 HB THR 19 HB THR 19 5.300 6.116 1.984 158 HG1 THR 19 HG1 THR 19 7.503 4.688 1.134 159 HG21 THR 19 1HG2 THR 19 4.855 4.663 3.680 160 HG22 THR 19 2HG2 THR 19 5.816 3.366 2.970 161 HG23 THR 19 3HG2 THR 19 4.197 3.708 2.353 162 H GLY 20 H GLY 20 3.519 2.990 0.014 163 HA2 GLY 20 2HA GLY 20 1.423 4.668 -0.949 164 HA3 GLY 20 1HA GLY 20 1.280 2.976 -0.491 165 H LEU 21 H LEU 21 0.347 6.049 0.259 166 HA LEU 21 HA LEU 21 0.067 5.647 3.117 167 HB2 LEU 21 1HB LEU 21 -0.827 7.885 1.302 168 HB3 LEU 21 2HB LEU 21 -1.082 7.861 3.035 169 HG LEU 21 HG LEU 21 1.606 7.906 1.660 170 HD11 LEU 21 1HD1 LEU 21 0.359 10.009 1.448 171 HD12 LEU 21 2HD1 LEU 21 0.132 10.043 3.197 172 HD13 LEU 21 3HD1 LEU 21 1.752 10.182 2.517 173 HD21 LEU 21 3HD2 LEU 21 1.060 8.328 4.580 174 HD22 LEU 21 1HD2 LEU 21 1.391 6.726 3.924 175 HD23 LEU 21 2HD2 LEU 21 2.597 8.001 3.780 176 H LEU 22 H LEU 22 -1.968 5.638 4.176 177 HA LEU 22 HA LEU 22 -4.221 4.786 2.478 178 HB2 LEU 22 1HB LEU 22 -3.666 4.110 5.372 179 HB3 LEU 22 2HB LEU 22 -5.116 3.657 4.497 180 HG LEU 22 HG LEU 22 -2.314 2.692 3.972 181 HD11 LEU 22 1HD1 LEU 22 -3.308 1.651 5.903 182 HD12 LEU 22 2HD1 LEU 22 -4.793 1.324 5.010 183 HD13 LEU 22 3HD1 LEU 22 -3.297 0.499 4.570 184 HD21 LEU 22 3HD2 LEU 22 -4.674 1.540 2.589 185 HD22 LEU 22 1HD2 LEU 22 -4.040 3.075 1.997 186 HD23 LEU 22 2HD2 LEU 22 -2.997 1.655 2.061 187 H CYS 23 H CYS 23 -5.985 6.011 2.531 188 HA CYS 23 HA CYS 23 -6.032 8.403 4.128 189 HB2 CYS 23 1HB CYS 23 -7.929 9.038 2.903 190 HB3 CYS 23 2HB CYS 23 -6.997 8.106 1.738 191 H GLU 24 H GLU 24 -7.790 8.864 5.634 192 HA GLU 24 HA GLU 24 -7.999 6.952 7.617 193 HB2 GLU 24 1HB GLU 24 -9.819 9.295 7.066 194 HB3 GLU 24 2HB GLU 24 -9.781 8.386 8.573 195 HG2 GLU 24 1HG GLU 24 -7.446 9.023 8.898 196 HG3 GLU 24 2HG GLU 24 -7.491 9.934 7.390 197 H LYS 25 H LYS 25 -10.005 7.405 4.833 198 HA LYS 25 HA LYS 25 -12.216 5.861 5.733 199 HB2 LYS 25 1HB LYS 25 -11.370 6.614 2.936 200 HB3 LYS 25 2HB LYS 25 -12.937 5.951 3.386 201 HG2 LYS 25 1HG LYS 25 -13.497 7.899 4.629 202 HG3 LYS 25 2HG LYS 25 -11.853 8.525 4.502 203 HD2 LYS 25 1HD LYS 25 -13.301 9.693 2.958 204 HD3 LYS 25 2HD LYS 25 -12.138 8.712 2.064 205 HE2 LYS 25 1HE LYS 25 -13.886 6.952 1.849 206 HE3 LYS 25 2HE LYS 25 -15.033 8.059 2.601 207 HZ1 LYS 25 3HZ LYS 25 -15.446 8.737 0.537 208 HZ2 LYS 25 1HZ LYS 25 -14.061 7.993 -0.097 209 HZ3 LYS 25 2HZ LYS 25 -13.954 9.537 0.596 210 H CYS 26 H CYS 26 -9.149 5.031 4.260 211 HA CYS 26 HA CYS 26 -10.054 2.223 4.213 212 HB2 CYS 26 1HB CYS 26 -7.676 3.145 2.612 213 HB3 CYS 26 2HB CYS 26 -8.604 1.665 2.441 214 H ASP 27 H ASP 27 -9.073 3.838 6.392 215 HA ASP 27 HA ASP 27 -6.306 3.405 6.762 216 HB2 ASP 27 1HB ASP 27 -7.661 5.225 7.840 217 HB3 ASP 27 2HB ASP 27 -8.333 4.008 8.918 218 H GLY 28 H GLY 28 -5.212 1.854 7.709 219 HA2 GLY 28 2HA GLY 28 -4.679 -0.026 8.905 220 HA3 GLY 28 1HA GLY 28 -6.232 0.145 9.710 221 H LYS 29 H LYS 29 -5.885 -0.242 6.250 222 HA LYS 29 HA LYS 29 -6.953 -2.975 6.502 223 HB2 LYS 29 1HB LYS 29 -7.435 -1.030 4.240 224 HB3 LYS 29 2HB LYS 29 -8.155 -2.621 4.425 225 HG2 LYS 29 1HG LYS 29 -9.537 -1.925 6.170 226 HG3 LYS 29 2HG LYS 29 -8.580 -0.472 6.467 227 HD2 LYS 29 1HD LYS 29 -10.658 0.103 5.361 228 HD3 LYS 29 2HD LYS 29 -9.288 0.424 4.297 229 HE2 LYS 29 1HE LYS 29 -10.989 -0.595 2.994 230 HE3 LYS 29 2HE LYS 29 -9.715 -1.788 3.222 231 HZ1 LYS 29 3HZ LYS 29 -11.232 -3.156 4.028 232 HZ2 LYS 29 1HZ LYS 29 -12.438 -1.967 3.913 233 HZ3 LYS 29 2HZ LYS 29 -11.510 -2.090 5.324 234 H CYS 30 H CYS 30 -5.579 -4.467 5.790 235 HA CYS 30 HA CYS 30 -3.159 -3.889 4.460 236 HB2 CYS 30 1HB CYS 30 -3.361 -5.883 5.787 237 HB3 CYS 30 2HB CYS 30 -4.719 -6.451 4.824 238 HA PRO 31 HA PRO 31 -4.934 -3.008 0.465 239 HB2 PRO 31 1HB PRO 31 -2.122 -3.476 -0.399 240 HB3 PRO 31 2HB PRO 31 -3.184 -2.100 -0.719 241 HG2 PRO 31 1HG PRO 31 -1.215 -1.909 1.060 242 HG3 PRO 31 2HG PRO 31 -2.789 -1.145 1.359 243 HD2 PRO 31 1HD PRO 31 -1.641 -3.645 2.518 244 HD3 PRO 31 2HD PRO 31 -2.667 -2.413 3.281 245 H ILE 32 H ILE 32 -2.668 -5.674 0.909 246 HA ILE 32 HA ILE 32 -3.107 -6.969 -1.520 247 HB ILE 32 HB ILE 32 -2.330 -8.289 1.080 248 HG12 ILE 32 1HG1 ILE 32 -0.941 -6.255 0.405 249 HG13 ILE 32 2HG1 ILE 32 -0.064 -7.762 0.643 250 HG21 ILE 32 1HG2 ILE 32 -1.981 -9.066 -1.806 251 HG22 ILE 32 2HG2 ILE 32 -1.097 -9.828 -0.484 252 HG23 ILE 32 3HG2 ILE 32 -2.856 -9.937 -0.546 253 HD11 ILE 32 3HD1 ILE 32 0.689 -6.476 -1.315 254 HD12 ILE 32 1HD1 ILE 32 0.111 -8.090 -1.725 255 HD13 ILE 32 2HD1 ILE 32 -0.908 -6.685 -2.035 256 H CYS 33 H CYS 33 -4.639 -7.566 1.647 257 HA CYS 33 HA CYS 33 -6.458 -9.411 0.261 258 HB2 CYS 33 1HB CYS 33 -6.454 -10.796 2.236 259 HB3 CYS 33 2HB CYS 33 -4.792 -10.482 1.751 260 H ASP 34 H ASP 34 -6.413 -6.526 1.965 261 HA ASP 34 HA ASP 34 -7.964 -5.211 2.945 262 HB2 ASP 34 1HB ASP 34 -9.311 -5.536 0.966 263 HB3 ASP 34 2HB ASP 34 -9.911 -7.073 1.578 264 H SER 35 H SER 35 -7.070 -6.031 4.906 265 HA SER 35 HA SER 35 -9.082 -7.252 6.605 266 HB2 SER 35 1HB SER 35 -7.810 -9.180 5.727 267 HB3 SER 35 2HB SER 35 -6.309 -8.442 6.280 268 HG SER 35 HG SER 35 -7.283 -10.080 7.694 269 H TYR 36 H TYR 36 -8.851 -6.678 8.751 270 HA TYR 36 HA TYR 36 -6.969 -4.482 9.222 271 HB2 TYR 36 1HB TYR 36 -9.370 -5.371 10.844 272 HB3 TYR 36 2HB TYR 36 -8.397 -3.941 11.158 273 HD1 TYR 36 HD2 TYR 36 -10.372 -5.469 8.367 274 HD2 TYR 36 HD1 TYR 36 -9.201 -1.914 10.392 275 HE1 TYR 36 HE2 TYR 36 -11.851 -4.161 6.908 276 HE2 TYR 36 HE1 TYR 36 -10.683 -0.596 8.937 277 HH TYR 36 HH TYR 36 -12.946 -1.256 7.522 278 H VAL 37 H VAL 37 -6.300 -7.388 9.278 279 HA VAL 37 HA VAL 37 -5.801 -8.062 12.019 280 HB VAL 37 HB VAL 37 -6.169 -9.730 10.156 281 HG11 VAL 37 1HG1 VAL 37 -4.179 -8.376 8.870 282 HG12 VAL 37 2HG1 VAL 37 -3.347 -9.818 9.448 283 HG13 VAL 37 3HG1 VAL 37 -4.782 -9.975 8.433 284 HG21 VAL 37 3HG2 VAL 37 -3.582 -10.455 11.401 285 HG22 VAL 37 1HG2 VAL 37 -4.916 -10.038 12.478 286 HG23 VAL 37 2HG2 VAL 37 -5.097 -11.355 11.319 287 H ARG 38 H ARG 38 -3.584 -8.496 12.825 288 HA ARG 38 HA ARG 38 -2.091 -6.277 13.084 289 HB2 ARG 38 1HB ARG 38 -1.864 -8.113 14.576 290 HB3 ARG 38 2HB ARG 38 -1.348 -9.187 13.284 291 HG2 ARG 38 1HG ARG 38 0.564 -8.681 14.516 292 HG3 ARG 38 2HG ARG 38 0.664 -7.727 13.038 293 HD2 ARG 38 1HD ARG 38 -0.231 -5.784 14.280 294 HD3 ARG 38 2HD ARG 38 -0.203 -6.751 15.754 295 HE ARG 38 HE ARG 38 2.354 -6.769 14.579 296 HH11 ARG 38 2HH1 ARG 38 0.177 -4.642 16.317 297 HH12 ARG 38 1HH1 ARG 38 1.459 -3.646 16.940 298 HH21 ARG 38 2HH2 ARG 38 4.027 -5.480 15.410 299 HH22 ARG 38 1HH2 ARG 38 3.645 -4.131 16.442 300 HA PRO 39 HA PRO 39 0.119 -6.046 9.182 301 HB2 PRO 39 1HB PRO 39 0.991 -3.541 9.486 302 HB3 PRO 39 2HB PRO 39 -0.714 -3.880 9.161 303 HG2 PRO 39 1HG PRO 39 0.622 -3.173 11.737 304 HG3 PRO 39 2HG PRO 39 -0.955 -2.662 11.110 305 HD2 PRO 39 1HD PRO 39 -0.544 -4.695 12.956 306 HD3 PRO 39 2HD PRO 39 -2.002 -4.488 11.968 307 H LYS 40 H LYS 40 2.392 -5.795 8.559 308 HA LYS 40 HA LYS 40 4.241 -6.052 10.842 309 HB2 LYS 40 1HB LYS 40 4.260 -7.710 8.315 310 HB3 LYS 40 2HB LYS 40 5.481 -7.772 9.578 311 HG2 LYS 40 1HG LYS 40 2.575 -8.457 9.945 312 HG3 LYS 40 2HG LYS 40 3.873 -9.622 9.693 313 HD2 LYS 40 1HD LYS 40 3.928 -7.655 11.963 314 HD3 LYS 40 2HD LYS 40 3.085 -9.198 12.089 315 HE2 LYS 40 1HE LYS 40 5.212 -9.582 13.011 316 HE3 LYS 40 2HE LYS 40 5.273 -10.285 11.397 317 HZ1 LYS 40 3HZ LYS 40 6.579 -8.525 10.612 318 HZ2 LYS 40 1HZ LYS 40 7.242 -8.910 12.122 319 HZ3 LYS 40 2HZ LYS 40 6.248 -7.543 11.959 320 H ARG 41 H ARG 41 4.323 -5.736 7.273 321 HA ARG 41 HA ARG 41 6.654 -3.978 7.640 322 HB2 ARG 41 1HB ARG 41 5.955 -5.753 5.299 323 HB3 ARG 41 2HB ARG 41 7.387 -4.740 5.420 324 HG2 ARG 41 1HG ARG 41 8.097 -6.044 7.394 325 HG3 ARG 41 2HG ARG 41 6.704 -7.102 7.159 326 HD2 ARG 41 1HD ARG 41 8.671 -8.103 6.181 327 HD3 ARG 41 2HD ARG 41 7.536 -7.650 4.910 328 HE ARG 41 HE ARG 41 9.484 -5.615 5.424 329 HH11 ARG 41 2HH1 ARG 41 8.903 -8.633 3.774 330 HH12 ARG 41 1HH1 ARG 41 10.070 -8.334 2.524 331 HH21 ARG 41 2HH2 ARG 41 11.073 -5.215 3.813 332 HH22 ARG 41 1HH2 ARG 41 11.329 -6.396 2.554 333 H LYS 42 H LYS 42 6.763 -2.034 6.682 334 HA LYS 42 HA LYS 42 4.376 -0.792 5.770 335 HB2 LYS 42 1HB LYS 42 6.292 0.331 6.956 336 HB3 LYS 42 2HB LYS 42 7.211 0.207 5.464 337 HG2 LYS 42 1HG LYS 42 5.575 1.598 4.323 338 HG3 LYS 42 2HG LYS 42 4.619 1.698 5.802 339 HD2 LYS 42 1HD LYS 42 7.457 2.672 5.501 340 HD3 LYS 42 2HD LYS 42 6.022 3.697 5.434 341 HE2 LYS 42 1HE LYS 42 5.461 3.123 7.717 342 HE3 LYS 42 2HE LYS 42 6.807 1.988 7.793 343 HZ1 LYS 42 3HZ LYS 42 6.996 4.425 8.722 344 HZ2 LYS 42 1HZ LYS 42 7.409 4.769 7.113 345 HZ3 LYS 42 2HZ LYS 42 8.322 3.647 8.002 346 H VAL 43 H VAL 43 3.655 -0.367 3.748 347 HA VAL 43 HA VAL 43 4.725 -1.959 1.614 348 HB VAL 43 HB VAL 43 2.837 -1.235 0.308 349 HG11 VAL 43 1HG1 VAL 43 1.035 -2.053 1.639 350 HG12 VAL 43 2HG1 VAL 43 2.495 -2.932 2.094 351 HG13 VAL 43 3HG1 VAL 43 1.883 -1.643 3.131 352 HG21 VAL 43 3HG2 VAL 43 3.058 1.166 1.476 353 HG22 VAL 43 1HG2 VAL 43 1.609 0.626 0.628 354 HG23 VAL 43 2HG2 VAL 43 1.694 0.514 2.387 355 H ARG 44 H ARG 44 5.385 -1.241 -0.434 356 HA ARG 44 HA ARG 44 6.106 1.598 -0.626 357 HB2 ARG 44 1HB ARG 44 7.796 -0.799 -1.194 358 HB3 ARG 44 2HB ARG 44 8.006 0.639 -2.182 359 HG2 ARG 44 1HG ARG 44 8.632 1.945 -0.309 360 HG3 ARG 44 2HG ARG 44 8.122 0.686 0.819 361 HD2 ARG 44 1HD ARG 44 10.299 0.252 -1.208 362 HD3 ARG 44 2HD ARG 44 10.620 0.899 0.401 363 HE ARG 44 HE ARG 44 9.986 -1.824 -0.290 364 HH11 ARG 44 2HH1 ARG 44 10.101 0.572 2.262 365 HH12 ARG 44 1HH1 ARG 44 9.919 -0.598 3.539 366 HH21 ARG 44 2HH2 ARG 44 9.770 -3.360 1.383 367 HH22 ARG 44 1HH2 ARG 44 9.769 -2.838 3.039 368 H VAL 45 H VAL 45 5.315 2.569 -2.345 369 HA VAL 45 HA VAL 45 3.921 0.973 -4.341 370 HB VAL 45 HB VAL 45 3.191 3.252 -3.051 371 HG11 VAL 45 1HG1 VAL 45 3.950 4.211 -5.771 372 HG12 VAL 45 2HG1 VAL 45 3.182 5.132 -4.477 373 HG13 VAL 45 3HG1 VAL 45 4.846 4.577 -4.296 374 HG21 VAL 45 3HG2 VAL 45 2.125 1.548 -4.916 375 HG22 VAL 45 1HG2 VAL 45 1.279 2.762 -3.959 376 HG23 VAL 45 2HG2 VAL 45 1.868 3.165 -5.573 377 H CYS 46 H CYS 46 4.246 1.403 -6.602 378 HA CYS 46 HA CYS 46 7.012 1.834 -7.260 379 HB2 CYS 46 1HB CYS 46 6.522 1.137 -9.418 380 HB3 CYS 46 2HB CYS 46 5.312 0.275 -8.483 381 H GLU 47 H GLU 47 7.846 3.538 -8.493 382 HA GLU 47 HA GLU 47 7.035 6.067 -7.679 383 HB2 GLU 47 1HB GLU 47 9.299 5.449 -8.511 384 HB3 GLU 47 2HB GLU 47 8.653 5.437 -10.147 385 HG2 GLU 47 1HG GLU 47 8.138 7.782 -10.013 386 HG3 GLU 47 2HG GLU 47 8.634 7.826 -8.322 387 H ASN 48 H ASN 48 6.019 4.183 -10.396 388 HA ASN 48 HA ASN 48 4.851 6.220 -11.956 389 HB2 ASN 48 1HB ASN 48 4.751 3.281 -11.827 390 HB3 ASN 48 2HB ASN 48 3.324 4.046 -12.518 391 HD21 ASN 48 1HD2 ASN 48 6.213 2.747 -13.273 392 HD22 ASN 48 2HD2 ASN 48 6.528 3.567 -14.767 393 H CYS 49 H CYS 49 3.762 4.634 -9.043 394 HA CYS 49 HA CYS 49 1.080 5.811 -9.372 395 HB2 CYS 49 1HB CYS 49 2.088 3.755 -7.380 396 HB3 CYS 49 2HB CYS 49 0.458 4.426 -7.408 397 H SER 50 H SER 50 3.411 7.439 -8.718 398 HA SER 50 HA SER 50 2.413 8.648 -6.282 399 HB2 SER 50 1HB SER 50 4.734 8.412 -5.225 400 HB3 SER 50 2HB SER 50 3.731 6.965 -5.280 401 HG SER 50 HG SER 50 5.085 6.066 -6.620 402 H PHE 51 H PHE 51 5.215 8.553 -8.472 403 HA PHE 51 HA PHE 51 6.616 10.109 -9.273 404 HB2 PHE 51 1HB PHE 51 4.917 12.382 -9.659 405 HB3 PHE 51 2HB PHE 51 5.624 11.306 -10.850 406 HD1 PHE 51 HD1 PHE 51 4.351 9.467 -11.780 407 HD2 PHE 51 HD2 PHE 51 2.625 12.133 -8.946 408 HE1 PHE 51 HE1 PHE 51 2.106 8.687 -12.416 409 HE2 PHE 51 HE2 PHE 51 0.378 11.343 -9.565 410 HZ PHE 51 HZ PHE 51 0.117 9.621 -11.307 411 H GLY 52 H GLY 52 4.509 12.502 -7.728 412 HA2 GLY 52 2HA GLY 52 6.769 13.696 -6.381 413 HA3 GLY 52 1HA GLY 52 5.099 14.232 -6.297 414 H LYS 53 H LYS 53 7.293 11.694 -5.208 415 HA LYS 53 HA LYS 53 7.529 10.572 -3.263 416 HB2 LYS 53 1HB LYS 53 5.666 12.693 -2.212 417 HB3 LYS 53 2HB LYS 53 6.408 11.463 -1.199 418 HG2 LYS 53 1HG LYS 53 8.633 12.288 -1.941 419 HG3 LYS 53 2HG LYS 53 7.808 13.598 -2.788 420 HD2 LYS 53 1HD LYS 53 6.873 14.394 -0.693 421 HD3 LYS 53 2HD LYS 53 7.612 13.043 0.173 422 HE2 LYS 53 1HE LYS 53 9.074 15.228 -1.307 423 HE3 LYS 53 2HE LYS 53 8.918 15.086 0.444 424 HZ1 LYS 53 3HZ LYS 53 10.655 13.733 0.493 425 HZ2 LYS 53 1HZ LYS 53 10.889 13.997 -1.166 426 HZ3 LYS 53 2HZ LYS 53 9.956 12.683 -0.640 427 H GLN 54 H GLN 54 4.099 11.473 -2.879 428 HA GLN 54 HA GLN 54 3.212 8.875 -3.748 429 HB2 GLN 54 1HB GLN 54 2.031 8.310 -1.638 430 HB3 GLN 54 2HB GLN 54 3.777 8.200 -1.522 431 HG2 GLN 54 1HG GLN 54 2.380 10.683 -0.641 432 HG3 GLN 54 2HG GLN 54 2.400 9.258 0.398 433 HE21 GLN 54 1HE2 GLN 54 3.771 12.074 0.147 434 HE22 GLN 54 2HE2 GLN 54 5.389 11.728 0.660 435 H ALA 55 H ALA 55 2.924 11.642 -4.393 436 HA ALA 55 HA ALA 55 1.318 13.145 -5.033 437 HB1 ALA 55 3HB ALA 55 1.076 10.642 -6.140 438 HB2 ALA 55 1HB ALA 55 -0.586 11.047 -5.686 439 HB3 ALA 55 2HB ALA 55 0.326 12.125 -6.746 440 H LYS 56 H LYS 56 1.083 12.441 -2.185 441 HA LYS 56 HA LYS 56 -0.334 12.397 -0.423 442 HB2 LYS 56 1HB LYS 56 -1.649 14.581 -2.038 443 HB3 LYS 56 2HB LYS 56 -1.860 14.296 -0.323 444 HG2 LYS 56 1HG LYS 56 -0.356 16.032 -0.353 445 HG3 LYS 56 2HG LYS 56 0.690 14.625 -0.171 446 HD2 LYS 56 1HD LYS 56 1.590 16.199 -1.807 447 HD3 LYS 56 2HD LYS 56 1.172 14.662 -2.563 448 HE2 LYS 56 1HE LYS 56 0.493 16.604 -3.918 449 HE3 LYS 56 2HE LYS 56 -0.874 15.603 -3.434 450 HZ1 LYS 56 3HZ LYS 56 -0.381 17.658 -1.529 451 HZ2 LYS 56 1HZ LYS 56 -1.798 17.316 -2.397 452 HZ3 LYS 56 2HZ LYS 56 -0.602 18.315 -3.070 453 H ASN 57 H ASN 57 -1.044 10.312 -2.079 454 HA ASN 57 HA ASN 57 -3.909 10.308 -1.579 455 HB2 ASN 57 1HB ASN 57 -4.466 9.208 -3.688 456 HB3 ASN 57 2HB ASN 57 -3.878 10.836 -3.899 457 HD21 ASN 57 1HD2 ASN 57 -1.166 8.953 -3.338 458 HD22 ASN 57 2HD2 ASN 57 -0.775 8.612 -4.973 459 H CYS 58 H CYS 58 -4.862 8.566 -1.074 460 HA CYS 58 HA CYS 58 -3.413 6.492 0.194 461 HB2 CYS 58 1HB CYS 58 -5.417 7.210 1.169 462 HB3 CYS 58 2HB CYS 58 -6.273 7.186 -0.360 463 H ILE 59 H ILE 59 -2.955 4.493 -0.500 464 HA ILE 59 HA ILE 59 -3.018 3.989 -3.274 465 HB ILE 59 HB ILE 59 -2.141 1.678 -2.576 466 HG12 ILE 59 1HG1 ILE 59 -2.124 3.114 0.091 467 HG13 ILE 59 2HG1 ILE 59 -2.957 1.614 -0.294 468 HG21 ILE 59 1HG2 ILE 59 -0.265 3.617 -1.472 469 HG22 ILE 59 2HG2 ILE 59 -0.121 2.574 -2.887 470 HG23 ILE 59 3HG2 ILE 59 -0.974 4.114 -3.008 471 HD11 ILE 59 3HD1 ILE 59 -0.151 1.370 -0.846 472 HD12 ILE 59 1HD1 ILE 59 -0.415 1.934 0.811 473 HD13 ILE 59 2HD1 ILE 59 -1.171 0.435 0.251 474 H ILE 60 H ILE 60 -5.087 2.836 -0.670 475 HA ILE 60 HA ILE 60 -6.150 0.648 -2.103 476 HB ILE 60 HB ILE 60 -7.275 2.123 0.274 477 HG12 ILE 60 1HG1 ILE 60 -5.801 -0.502 -0.034 478 HG13 ILE 60 2HG1 ILE 60 -5.163 0.970 0.690 479 HG21 ILE 60 1HG2 ILE 60 -8.186 -0.621 -0.331 480 HG22 ILE 60 2HG2 ILE 60 -9.063 0.737 0.373 481 HG23 ILE 60 3HG2 ILE 60 -8.818 0.655 -1.370 482 HD11 ILE 60 3HD1 ILE 60 -6.294 -1.109 2.042 483 HD12 ILE 60 1HD1 ILE 60 -6.102 0.530 2.663 484 HD13 ILE 60 2HD1 ILE 60 -7.631 0.037 1.932 485 H CYS 61 H CYS 61 -7.554 3.924 -1.554 486 HA CYS 61 HA CYS 61 -9.530 3.270 -3.594 487 HB2 CYS 61 1HB CYS 61 -10.551 5.472 -3.055 488 HB3 CYS 61 2HB CYS 61 -10.514 4.356 -1.691 489 H ASN 62 H ASN 62 -6.502 4.509 -3.284 490 HA ASN 62 HA ASN 62 -5.058 5.658 -4.555 491 HB2 ASN 62 1HB ASN 62 -5.115 5.159 -6.991 492 HB3 ASN 62 2HB ASN 62 -5.194 3.735 -5.967 493 HD21 ASN 62 1HD2 ASN 62 -6.695 5.547 -8.406 494 HD22 ASN 62 2HD2 ASN 62 -8.098 4.564 -8.620 495 H LEU 63 H LEU 63 -7.037 7.266 -3.606 496 HA LEU 63 HA LEU 63 -6.985 9.395 -5.556 497 HB2 LEU 63 1HB LEU 63 -9.200 7.678 -5.359 498 HB3 LEU 63 2HB LEU 63 -9.678 9.169 -4.581 499 HG LEU 63 HG LEU 63 -10.342 9.590 -6.733 500 HD11 LEU 63 1HD1 LEU 63 -7.463 10.462 -6.604 501 HD12 LEU 63 2HD1 LEU 63 -8.557 10.934 -7.906 502 HD13 LEU 63 3HD1 LEU 63 -8.907 11.411 -6.244 503 HD21 LEU 63 3HD2 LEU 63 -9.549 8.569 -8.643 504 HD22 LEU 63 1HD2 LEU 63 -7.921 8.376 -7.988 505 HD23 LEU 63 2HD2 LEU 63 -9.234 7.346 -7.407 506 H ASN 64 H ASN 64 -8.762 8.486 -2.610 507 HA ASN 64 HA ASN 64 -8.873 11.046 -1.503 508 HB2 ASN 64 1HB ASN 64 -8.980 8.321 -0.212 509 HB3 ASN 64 2HB ASN 64 -9.274 9.808 0.672 510 HD21 ASN 64 1HD2 ASN 64 -10.409 10.566 -2.213 511 HD22 ASN 64 2HD2 ASN 64 -12.040 10.013 -2.083 512 H VAL 65 H VAL 65 -7.626 12.121 0.026 513 HA VAL 65 HA VAL 65 -4.857 11.807 -0.239 514 HB VAL 65 HB VAL 65 -6.257 13.266 2.009 515 HG11 VAL 65 1HG1 VAL 65 -3.546 12.805 1.514 516 HG12 VAL 65 2HG1 VAL 65 -3.844 14.464 0.994 517 HG13 VAL 65 3HG1 VAL 65 -4.243 13.971 2.641 518 HG21 VAL 65 3HG2 VAL 65 -5.842 13.952 -0.858 519 HG22 VAL 65 1HG2 VAL 65 -7.207 14.304 0.202 520 HG23 VAL 65 2HG2 VAL 65 -5.716 15.235 0.344 521 H GLY 66 H GLY 66 -3.537 10.379 0.602 522 HA2 GLY 66 2HA GLY 66 -4.364 8.602 2.706 523 HA3 GLY 66 1HA GLY 66 -2.828 8.573 1.858 524 H VAL 67 H VAL 67 -3.603 8.445 4.776 525 HA VAL 67 HA VAL 67 -1.851 10.637 5.663 526 HB VAL 67 HB VAL 67 -3.087 10.589 7.848 527 HG11 VAL 67 1HG1 VAL 67 -5.090 11.819 6.926 528 HG12 VAL 67 2HG1 VAL 67 -3.514 12.396 6.387 529 HG13 VAL 67 3HG1 VAL 67 -4.497 11.396 5.318 530 HG21 VAL 67 3HG2 VAL 67 -4.889 8.778 6.270 531 HG22 VAL 67 1HG2 VAL 67 -4.213 8.532 7.879 532 HG23 VAL 67 2HG2 VAL 67 -5.486 9.728 7.631 533 H ASN 68 H ASN 68 -2.953 7.315 6.430 534 HA ASN 68 HA ASN 68 -0.477 6.997 8.000 535 HB2 ASN 68 1HB ASN 68 -3.001 5.328 8.062 536 HB3 ASN 68 2HB ASN 68 -1.577 5.061 9.059 537 HD21 ASN 68 1HD2 ASN 68 -4.555 6.055 9.314 538 HD22 ASN 68 2HD2 ASN 68 -4.406 7.328 10.481 539 H ASP 69 H ASP 69 1.081 5.719 7.282 540 HA ASP 69 HA ASP 69 1.142 4.631 4.701 541 HB2 ASP 69 1HB ASP 69 2.817 3.737 7.069 542 HB3 ASP 69 2HB ASP 69 3.230 3.578 5.368 543 H ALA 70 H ALA 70 0.704 2.686 3.846 544 HA ALA 70 HA ALA 70 -0.908 0.847 5.370 545 HB1 ALA 70 3HB ALA 70 -0.273 -0.414 2.990 546 HB2 ALA 70 1HB ALA 70 -1.721 0.541 3.322 547 HB3 ALA 70 2HB ALA 70 -0.317 1.302 2.573 548 H PHE 71 H PHE 71 -0.403 -1.248 5.915 549 HA PHE 71 HA PHE 71 2.407 -2.044 5.606 550 HB2 PHE 71 1HB PHE 71 0.702 -2.107 8.082 551 HB3 PHE 71 2HB PHE 71 2.030 -3.239 7.880 552 HD1 PHE 71 HD2 PHE 71 1.571 0.436 7.325 553 HD2 PHE 71 HD1 PHE 71 3.860 -2.675 9.105 554 HE1 PHE 71 HE2 PHE 71 3.126 2.107 8.235 555 HE2 PHE 71 HE1 PHE 71 5.420 -1.009 10.022 556 HZ PHE 71 HZ PHE 71 5.053 1.385 9.585 557 H TYR 72 H TYR 72 2.712 -4.079 4.922 558 HA TYR 72 HA TYR 72 0.547 -5.712 4.039 559 HB2 TYR 72 1HB TYR 72 3.430 -6.490 4.580 560 HB3 TYR 72 2HB TYR 72 2.257 -7.465 3.706 561 HD1 TYR 72 HD2 TYR 72 1.456 -6.710 1.468 562 HD2 TYR 72 HD1 TYR 72 4.643 -4.754 3.497 563 HE1 TYR 72 HE2 TYR 72 2.158 -5.675 -0.648 564 HE2 TYR 72 HE1 TYR 72 5.359 -3.716 1.383 565 HH TYR 72 HH TYR 72 3.805 -4.521 -1.690 566 H CYS 73 H CYS 73 -0.700 -7.015 5.249 567 HA CYS 73 HA CYS 73 -0.352 -7.148 8.036 568 HB2 CYS 73 1HB CYS 73 -2.385 -8.272 8.126 569 HB3 CYS 73 2HB CYS 73 -2.523 -7.328 6.649 570 H TRP 74 H TRP 74 -0.251 -9.099 9.330 571 HA TRP 74 HA TRP 74 2.075 -10.476 9.132 572 HB2 TRP 74 1HB TRP 74 0.457 -10.335 11.054 573 HB3 TRP 74 2HB TRP 74 -0.432 -11.647 10.308 574 HD1 TRP 74 HD1 TRP 74 0.065 -12.934 12.630 575 HE1 TRP 74 HE1 TRP 74 2.056 -14.388 13.354 576 HE3 TRP 74 HE3 TRP 74 3.495 -11.385 9.173 577 HZ2 TRP 74 HZ2 TRP 74 4.722 -14.830 12.558 578 HZ3 TRP 74 HZ3 TRP 74 5.746 -12.368 9.229 579 HH2 TRP 74 HH2 TRP 74 6.346 -14.062 10.882 580 H GLU 75 H GLU 75 -1.080 -11.732 8.092 581 HA GLU 75 HA GLU 75 -0.093 -14.208 7.264 582 HB2 GLU 75 1HB GLU 75 -2.570 -12.801 6.256 583 HB3 GLU 75 2HB GLU 75 -2.240 -14.529 6.155 584 HG2 GLU 75 1HG GLU 75 -2.113 -14.546 8.661 585 HG3 GLU 75 2HG GLU 75 -2.709 -12.888 8.628 586 H CYS 76 H CYS 76 -0.698 -11.277 5.331 587 HA CYS 76 HA CYS 76 0.188 -12.367 2.868 588 HB2 CYS 76 1HB CYS 76 -0.004 -9.521 3.851 589 HB3 CYS 76 2HB CYS 76 0.486 -9.950 2.216 590 H CYS 77 H CYS 77 1.818 -10.872 5.588 591 HA CYS 77 HA CYS 77 4.339 -10.527 4.316 592 HB2 CYS 77 1HB CYS 77 3.617 -9.402 6.452 593 HB3 CYS 77 2HB CYS 77 3.813 -10.949 7.269 594 HG CYS 77 HG CYS 77 6.517 -9.961 5.552 595 H ARG 78 H ARG 78 2.851 -13.113 6.192 596 HA ARG 78 HA ARG 78 5.051 -14.882 6.272 597 HB2 ARG 78 1HB ARG 78 2.992 -15.100 7.659 598 HB3 ARG 78 2HB ARG 78 2.095 -15.540 6.222 599 HG2 ARG 78 1HG ARG 78 4.482 -17.146 6.992 600 HG3 ARG 78 2HG ARG 78 2.966 -17.364 7.868 601 HD2 ARG 78 1HD ARG 78 1.847 -17.721 5.671 602 HD3 ARG 78 2HD ARG 78 3.436 -17.698 4.910 603 HE ARG 78 HE ARG 78 3.368 -19.601 7.016 604 HH11 ARG 78 2HH1 ARG 78 2.322 -19.092 3.718 605 HH12 ARG 78 1HH1 ARG 78 2.219 -20.783 3.345 606 HH21 ARG 78 2HH2 ARG 78 3.226 -21.815 6.553 607 HH22 ARG 78 1HH2 ARG 78 2.691 -22.344 4.982 608 H LEU 79 H LEU 79 2.390 -14.465 3.972 609 HA LEU 79 HA LEU 79 3.188 -16.553 2.216 610 HB2 LEU 79 1HB LEU 79 1.475 -14.111 1.749 611 HB3 LEU 79 2HB LEU 79 1.692 -15.398 0.578 612 HG LEU 79 HG LEU 79 0.426 -15.696 3.303 613 HD11 LEU 79 1HD1 LEU 79 -0.908 -14.443 1.624 614 HD12 LEU 79 2HD1 LEU 79 -0.824 -15.851 0.567 615 HD13 LEU 79 3HD1 LEU 79 -1.645 -15.966 2.124 616 HD21 LEU 79 3HD2 LEU 79 0.350 -17.929 3.007 617 HD22 LEU 79 1HD2 LEU 79 0.142 -17.797 1.262 618 HD23 LEU 79 2HD2 LEU 79 1.749 -17.638 1.973 619 H GLY 80 H GLY 80 3.997 -13.180 2.519 620 HA2 GLY 80 2HA GLY 80 5.959 -12.172 1.729 621 HA3 GLY 80 1HA GLY 80 6.191 -13.527 0.632 622 H LYS 81 H LYS 81 3.407 -11.369 1.119 623 HA LYS 81 HA LYS 81 3.009 -11.098 -1.695 624 HB2 LYS 81 1HB LYS 81 1.782 -9.563 0.600 625 HB3 LYS 81 2HB LYS 81 1.226 -9.518 -1.066 626 HG2 LYS 81 1HG LYS 81 1.189 -11.882 0.793 627 HG3 LYS 81 2HG LYS 81 -0.197 -10.969 0.197 628 HD2 LYS 81 1HD LYS 81 1.668 -12.707 -1.404 629 HD3 LYS 81 2HD LYS 81 -0.027 -13.021 -1.027 630 HE2 LYS 81 1HE LYS 81 -0.738 -11.180 -2.387 631 HE3 LYS 81 2HE LYS 81 0.927 -10.647 -2.624 632 HZ1 LYS 81 3HZ LYS 81 -0.501 -12.305 -4.264 633 HZ2 LYS 81 1HZ LYS 81 0.550 -13.357 -3.444 634 HZ3 LYS 81 2HZ LYS 81 1.176 -12.039 -4.316 635 H ASP 82 H ASP 82 4.997 -9.558 0.536 636 HA ASP 82 HA ASP 82 5.067 -6.927 -0.476 637 HB2 ASP 82 1HB ASP 82 7.115 -6.671 0.770 638 HB3 ASP 82 2HB ASP 82 5.994 -7.633 1.728 639 H LYS 83 H LYS 83 6.657 -9.890 -1.462 640 HA LYS 83 HA LYS 83 8.603 -8.605 -3.089 641 HB2 LYS 83 1HB LYS 83 9.164 -10.818 -3.926 642 HB3 LYS 83 2HB LYS 83 8.990 -10.851 -2.181 643 HG2 LYS 83 1HG LYS 83 7.895 -12.769 -2.738 644 HG3 LYS 83 2HG LYS 83 6.550 -11.629 -2.756 645 HD2 LYS 83 1HD LYS 83 6.772 -11.407 -5.184 646 HD3 LYS 83 2HD LYS 83 8.116 -12.553 -5.168 647 HE2 LYS 83 1HE LYS 83 6.604 -14.268 -4.255 648 HE3 LYS 83 2HE LYS 83 5.271 -13.117 -4.332 649 HZ1 LYS 83 3HZ LYS 83 6.492 -13.203 -6.847 650 HZ2 LYS 83 1HZ LYS 83 4.933 -13.716 -6.417 651 HZ3 LYS 83 2HZ LYS 83 6.233 -14.802 -6.352 652 H ASP 84 H ASP 84 5.305 -9.414 -3.540 653 HA ASP 84 HA ASP 84 5.163 -9.707 -6.323 654 HB2 ASP 84 1HB ASP 84 3.162 -8.524 -4.385 655 HB3 ASP 84 2HB ASP 84 2.807 -8.866 -6.074 656 H GLY 85 H GLY 85 4.698 -6.761 -4.359 657 HA2 GLY 85 2HA GLY 85 6.349 -5.042 -5.275 658 HA3 GLY 85 1HA GLY 85 5.413 -5.198 -6.748 659 H CYS 86 H CYS 86 4.562 -3.310 -6.972 660 HA CYS 86 HA CYS 86 3.800 -1.503 -4.990 661 HB2 CYS 86 1HB CYS 86 4.436 -0.902 -7.262 662 HB3 CYS 86 2HB CYS 86 3.029 -1.728 -7.904 663 HA PRO 87 HA PRO 87 -0.147 -3.490 -4.069 664 HB2 PRO 87 1HB PRO 87 -0.596 -2.312 -1.711 665 HB3 PRO 87 2HB PRO 87 0.662 -3.538 -1.910 666 HG2 PRO 87 1HG PRO 87 0.919 -0.557 -1.837 667 HG3 PRO 87 2HG PRO 87 1.923 -1.781 -1.044 668 HD2 PRO 87 1HD PRO 87 2.599 -0.540 -3.391 669 HD3 PRO 87 2HD PRO 87 3.167 -2.157 -2.928 670 H ARG 88 H ARG 88 -0.035 -1.018 -5.777 671 HA ARG 88 HA ARG 88 -2.260 0.598 -4.885 672 HB2 ARG 88 1HB ARG 88 -0.305 0.667 -7.037 673 HB3 ARG 88 2HB ARG 88 -1.925 1.039 -7.609 674 HG2 ARG 88 1HG ARG 88 -1.390 2.452 -5.170 675 HG3 ARG 88 2HG ARG 88 -0.119 2.758 -6.356 676 HD2 ARG 88 1HD ARG 88 -2.045 3.125 -8.014 677 HD3 ARG 88 2HD ARG 88 -3.063 3.256 -6.581 678 HE ARG 88 HE ARG 88 -0.968 4.973 -6.150 679 HH11 ARG 88 2HH1 ARG 88 -3.475 4.591 -8.559 680 HH12 ARG 88 1HH1 ARG 88 -3.511 6.281 -8.989 681 HH21 ARG 88 2HH2 ARG 88 -1.004 7.198 -6.706 682 HH22 ARG 88 1HH2 ARG 88 -2.121 7.773 -7.900 683 H ILE 89 H ILE 89 -4.362 0.450 -5.549 684 HA ILE 89 HA ILE 89 -5.152 -2.058 -6.821 685 HB ILE 89 HB ILE 89 -6.931 0.092 -5.657 686 HG12 ILE 89 1HG1 ILE 89 -5.405 -0.675 -3.916 687 HG13 ILE 89 2HG1 ILE 89 -7.015 -1.321 -3.616 688 HG21 ILE 89 1HG2 ILE 89 -8.361 -2.094 -5.326 689 HG22 ILE 89 2HG2 ILE 89 -8.349 -1.241 -6.872 690 HG23 ILE 89 3HG2 ILE 89 -7.360 -2.686 -6.654 691 HD11 ILE 89 3HD1 ILE 89 -4.504 -2.708 -4.267 692 HD12 ILE 89 1HD1 ILE 89 -5.862 -3.217 -3.261 693 HD13 ILE 89 2HD1 ILE 89 -5.966 -3.355 -5.016 694 H LEU 90 H LEU 90 -5.930 -2.183 -8.898 695 HA LEU 90 HA LEU 90 -7.248 0.012 -10.151 696 HB2 LEU 90 1HB LEU 90 -5.648 0.293 -11.991 697 HB3 LEU 90 2HB LEU 90 -5.025 0.845 -10.456 698 HG LEU 90 HG LEU 90 -4.329 -1.895 -11.458 699 HD11 LEU 90 1HD1 LEU 90 -3.117 -1.104 -13.147 700 HD12 LEU 90 2HD1 LEU 90 -3.716 0.522 -12.814 701 HD13 LEU 90 3HD1 LEU 90 -2.243 -0.054 -12.034 702 HD21 LEU 90 3HD2 LEU 90 -3.806 -1.283 -9.156 703 HD22 LEU 90 1HD2 LEU 90 -2.354 -1.541 -10.123 704 HD23 LEU 90 2HD2 LEU 90 -2.879 0.101 -9.743 705 H ASN 91 H ASN 91 -8.368 -2.332 -9.825 706 HA ASN 91 HA ASN 91 -8.014 -4.048 -12.122 707 HB2 ASN 91 1HB ASN 91 -10.179 -5.066 -11.388 708 HB3 ASN 91 2HB ASN 91 -8.925 -5.080 -10.157 709 HD21 ASN 91 1HD2 ASN 91 -9.277 -4.128 -8.274 710 HD22 ASN 91 2HD2 ASN 91 -10.727 -3.292 -7.843 711 H LEU 92 H LEU 92 -9.814 -1.238 -11.239 712 HA LEU 92 HA LEU 92 -10.334 -0.647 -13.981 713 HB2 LEU 92 1HB LEU 92 -12.264 -2.087 -13.598 714 HB3 LEU 92 2HB LEU 92 -12.692 -1.174 -12.164 715 HG LEU 92 HG LEU 92 -13.102 0.816 -13.609 716 HD11 LEU 92 1HD1 LEU 92 -13.399 -0.680 -16.066 717 HD12 LEU 92 2HD1 LEU 92 -12.604 0.866 -15.773 718 HD13 LEU 92 3HD1 LEU 92 -11.723 -0.641 -15.520 719 HD21 LEU 92 3HD2 LEU 92 -14.681 -1.507 -13.278 720 HD22 LEU 92 1HD2 LEU 92 -15.211 0.156 -13.518 721 HD23 LEU 92 2HD2 LEU 92 -14.957 -0.898 -14.910 722 H GLY 93 H GLY 93 -11.625 0.116 -10.755 723 HA2 GLY 93 2HA GLY 93 -11.736 2.066 -9.563 724 HA3 GLY 93 1HA GLY 93 -10.252 2.519 -10.388 725 H SER 94 H SER 94 -13.032 1.810 -12.258 726 HA SER 94 HA SER 94 -14.245 3.013 -13.738 727 HB2 SER 94 1HB SER 94 -15.103 3.829 -11.437 728 HB3 SER 94 2HB SER 94 -14.189 5.296 -11.772 729 HG SER 94 HG SER 94 -15.608 4.698 -13.941 730 H ASN 95 H ASN 95 -11.461 3.083 -14.151 731 HA ASN 95 HA ASN 95 -11.249 5.482 -15.733 732 HB2 ASN 95 1HB ASN 95 -10.496 6.436 -13.674 733 HB3 ASN 95 2HB ASN 95 -9.445 5.060 -13.347 734 HD21 ASN 95 1HD2 ASN 95 -7.402 5.513 -13.626 735 HD22 ASN 95 2HD2 ASN 95 -6.735 6.568 -14.833 736 H ARG 96 H ARG 96 -9.133 2.925 -14.340 737 HA ARG 96 HA ARG 96 -7.500 2.921 -16.668 738 HB2 ARG 96 1HB ARG 96 -6.133 1.437 -15.564 739 HB3 ARG 96 2HB ARG 96 -6.966 2.164 -14.202 740 HG2 ARG 96 1HG ARG 96 -7.266 0.045 -13.565 741 HG3 ARG 96 2HG ARG 96 -8.597 0.073 -14.723 742 HD2 ARG 96 1HD ARG 96 -6.965 -0.735 -16.460 743 HD3 ARG 96 2HD ARG 96 -5.800 -0.965 -15.158 744 HE ARG 96 HE ARG 96 -8.274 -2.278 -14.619 745 HH11 ARG 96 2HH1 ARG 96 -5.230 -2.596 -16.347 746 HH12 ARG 96 1HH1 ARG 96 -5.348 -4.329 -16.466 747 HH21 ARG 96 2HH2 ARG 96 -8.412 -4.534 -14.768 748 HH22 ARG 96 1HH2 ARG 96 -7.144 -5.436 -15.545 749 H LEU 97 H LEU 97 -7.722 1.882 -18.520 750 HA LEU 97 HA LEU 97 -8.712 0.748 -20.204 751 HB2 LEU 97 1HB LEU 97 -8.835 -1.348 -18.044 752 HB3 LEU 97 2HB LEU 97 -9.247 -1.664 -19.719 753 HG LEU 97 HG LEU 97 -6.547 -0.830 -18.658 754 HD11 LEU 97 1HD1 LEU 97 -7.643 -3.391 -19.787 755 HD12 LEU 97 2HD1 LEU 97 -5.915 -3.055 -19.673 756 HD13 LEU 97 3HD1 LEU 97 -6.898 -3.122 -18.210 757 HD21 LEU 97 3HD2 LEU 97 -7.663 -0.355 -21.201 758 HD22 LEU 97 1HD2 LEU 97 -5.987 -0.149 -20.692 759 HD23 LEU 97 2HD2 LEU 97 -6.518 -1.684 -21.383 760 H ASP 98 H ASP 98 -10.413 2.491 -18.813 761 HA ASP 98 HA ASP 98 -12.977 1.210 -18.472 762 HB2 ASP 98 1HB ASP 98 -13.703 3.209 -17.635 763 HB3 ASP 98 2HB ASP 98 -11.979 3.501 -17.458 764 H ARG 99 H ARG 99 -11.298 3.157 -20.843 765 HA ARG 99 HA ARG 99 -12.136 1.977 -23.111 766 HB2 ARG 99 1HB ARG 99 -14.474 2.566 -22.569 767 HB3 ARG 99 2HB ARG 99 -14.026 4.269 -22.530 768 HG2 ARG 99 1HG ARG 99 -13.293 4.032 -24.914 769 HG3 ARG 99 2HG ARG 99 -14.017 2.424 -24.900 770 HD2 ARG 99 1HD ARG 99 -16.191 3.324 -24.518 771 HD3 ARG 99 2HD ARG 99 -15.533 4.935 -24.222 772 HE ARG 99 HE ARG 99 -16.138 3.767 -26.751 773 HH11 ARG 99 2HH1 ARG 99 -14.115 6.137 -25.132 774 HH12 ARG 99 1HH1 ARG 99 -13.559 6.857 -26.617 775 HH21 ARG 99 2HH2 ARG 99 -15.381 4.720 -28.705 776 HH22 ARG 99 1HH2 ARG 99 -14.269 6.060 -28.630 777 H HIS 100 H HIS 100 -11.632 5.087 -21.569 778 HA HIS 100 HA HIS 100 -10.864 6.530 -23.841 779 HB2 HIS 100 1HB HIS 100 -9.980 6.985 -20.983 780 HB3 HIS 100 2HB HIS 100 -9.799 8.133 -22.298 781 HD1 HIS 100 HD1 HIS 100 -12.487 6.511 -20.175 782 HD2 HIS 100 HD2 HIS 100 -11.965 9.732 -22.764 783 HE1 HIS 100 HE1 HIS 100 -14.592 7.878 -20.001 784 HE2 HIS 100 HE2 HIS 100 -14.212 9.879 -21.487 785 H PHE 101 H PHE 101 -9.019 6.838 -24.885 786 HA PHE 101 HA PHE 101 -6.498 6.178 -23.699 787 HB2 PHE 101 1HB PHE 101 -5.690 4.755 -25.543 788 HB3 PHE 101 2HB PHE 101 -7.023 3.998 -24.687 789 HD1 PHE 101 HD1 PHE 101 -6.071 5.742 -27.799 790 HD2 PHE 101 HD2 PHE 101 -9.016 3.414 -25.795 791 HE1 PHE 101 HE1 PHE 101 -7.235 5.384 -29.934 792 HE2 PHE 101 HE2 PHE 101 -10.187 3.053 -27.929 793 HZ PHE 101 HZ PHE 101 -9.297 4.038 -30.002 794 H GLU 102 H GLU 102 -5.249 7.835 -24.136 795 HA GLU 102 HA GLU 102 -5.801 9.423 -26.558 796 HB2 GLU 102 1HB GLU 102 -5.845 10.324 -23.681 797 HB3 GLU 102 2HB GLU 102 -5.730 11.449 -25.029 798 HG2 GLU 102 1HG GLU 102 -7.879 10.601 -25.876 799 HG3 GLU 102 2HG GLU 102 -7.988 9.540 -24.471 800 H LYS 103 H LYS 103 -3.634 8.902 -23.805 801 HA LYS 103 HA LYS 103 -1.679 10.732 -24.773 802 HB2 LYS 103 1HB LYS 103 -1.468 8.600 -22.644 803 HB3 LYS 103 2HB LYS 103 -0.267 9.849 -22.946 804 HG2 LYS 103 1HG LYS 103 -1.964 11.563 -22.437 805 HG3 LYS 103 2HG LYS 103 -3.109 10.279 -22.050 806 HD2 LYS 103 1HD LYS 103 -2.149 11.098 -20.007 807 HD3 LYS 103 2HD LYS 103 -1.534 9.473 -20.310 808 HE2 LYS 103 1HE LYS 103 0.538 10.408 -21.192 809 HE3 LYS 103 2HE LYS 103 -0.081 12.038 -20.939 810 HZ1 LYS 103 3HZ LYS 103 0.080 11.839 -18.657 811 HZ2 LYS 103 1HZ LYS 103 1.469 11.021 -19.188 812 HZ3 LYS 103 2HZ LYS 103 0.109 10.144 -18.688 813 H LYS 104 H LYS 104 -1.097 10.169 -26.811 814 HA LYS 104 HA LYS 104 0.283 9.324 -28.393 815 HB2 LYS 104 1HB LYS 104 1.413 7.648 -26.148 816 HB3 LYS 104 2HB LYS 104 2.118 7.811 -27.751 817 HG2 LYS 104 1HG LYS 104 2.451 10.197 -27.374 818 HG3 LYS 104 2HG LYS 104 1.729 10.047 -25.771 819 HD2 LYS 104 1HD LYS 104 3.511 8.526 -25.101 820 HD3 LYS 104 2HD LYS 104 4.222 8.635 -26.712 821 HE2 LYS 104 1HE LYS 104 4.518 11.067 -26.370 822 HE3 LYS 104 2HE LYS 104 3.909 10.883 -24.725 823 HZ1 LYS 104 3HZ LYS 104 6.129 9.165 -25.520 824 HZ2 LYS 104 1HZ LYS 104 5.816 9.914 -24.030 825 HZ3 LYS 104 2HZ LYS 104 6.475 10.811 -25.306 826 H LYS 105 H LYS 105 -0.748 6.654 -26.262 827 HA LYS 105 HA LYS 105 -1.921 5.356 -28.610 828 HB2 LYS 105 1HB LYS 105 -0.025 4.025 -26.669 829 HB3 LYS 105 2HB LYS 105 -1.039 3.146 -27.802 830 HG2 LYS 105 1HG LYS 105 0.101 4.498 -29.630 831 HG3 LYS 105 2HG LYS 105 1.269 4.967 -28.391 832 HD2 LYS 105 1HD LYS 105 0.599 2.127 -29.160 833 HD3 LYS 105 2HD LYS 105 2.009 3.024 -29.724 834 HE2 LYS 105 1HE LYS 105 1.403 2.479 -26.824 835 HE3 LYS 105 2HE LYS 105 2.454 1.473 -27.818 836 HZ1 LYS 105 3HZ LYS 105 3.458 3.939 -28.222 837 HZ2 LYS 105 1HZ LYS 105 4.052 2.825 -27.093 838 HZ3 LYS 105 2HZ LYS 105 2.970 4.033 -26.603 839 H LYS 106 H LYS 106 -1.982 3.028 -26.446 840 HA LYS 106 HA LYS 106 -4.683 3.600 -25.626 841 HB2 LYS 106 1HB LYS 106 -2.925 1.229 -24.975 842 HB3 LYS 106 2HB LYS 106 -4.666 1.322 -24.748 843 HG2 LYS 106 1HG LYS 106 -3.344 1.592 -27.432 844 HG3 LYS 106 2HG LYS 106 -3.882 0.050 -26.769 845 HD2 LYS 106 1HD LYS 106 -5.713 2.419 -27.069 846 HD3 LYS 106 2HD LYS 106 -5.480 1.229 -28.351 847 HE2 LYS 106 1HE LYS 106 -6.432 0.621 -25.554 848 HE3 LYS 106 2HE LYS 106 -7.467 0.755 -26.975 849 HZ1 LYS 106 3HZ LYS 106 -5.279 -1.084 -27.328 850 HZ2 LYS 106 1HZ LYS 106 -6.934 -1.295 -27.635 851 HZ3 LYS 106 2HZ LYS 106 -6.327 -1.530 -26.072 852 H VAL 107 H VAL 107 -3.364 5.532 -24.443 853 HA VAL 107 HA VAL 107 -3.105 4.677 -21.637 854 HB VAL 107 HB VAL 107 -1.614 6.986 -22.902 855 HG11 VAL 107 1HG1 VAL 107 -0.749 5.813 -20.334 856 HG12 VAL 107 2HG1 VAL 107 -0.791 7.496 -20.860 857 HG13 VAL 107 3HG1 VAL 107 -2.267 6.708 -20.302 858 HG21 VAL 107 3HG2 VAL 107 0.232 5.688 -23.219 859 HG22 VAL 107 1HG2 VAL 107 -0.186 4.580 -21.913 860 HG23 VAL 107 2HG2 VAL 107 -1.011 4.459 -23.466 Start of MODEL 14 1 H1 GLY -1 1H GLY -1 -8.914 -17.471 0.400 2 H2 GLY -1 2H GLY -1 -7.614 -17.161 1.446 3 H3 GLY -1 3H GLY -1 -8.425 -18.641 1.524 4 HA2 GLY -1 1HA GLY -1 -7.343 -18.021 -1.073 5 HA3 GLY -1 2HA GLY -1 -6.139 -18.233 0.192 6 H GLY 0 H GLY 0 -7.146 -19.844 -2.211 7 HA2 GLY 0 2HA GLY 0 -6.517 -22.388 -1.471 8 HA3 GLY 0 1HA GLY 0 -8.221 -22.254 -1.048 9 H SER 1 H SER 1 -8.810 -20.412 -3.172 10 HA SER 1 HA SER 1 -8.150 -21.591 -5.685 11 HB2 SER 1 1HB SER 1 -9.827 -23.231 -4.828 12 HB3 SER 1 2HB SER 1 -10.994 -21.919 -4.679 13 HG SER 1 HG SER 1 -10.430 -23.390 -6.820 14 H SER 2 H SER 2 -8.575 -20.178 -7.317 15 HA SER 2 HA SER 2 -9.189 -18.294 -8.418 16 HB2 SER 2 1HB SER 2 -11.168 -17.797 -6.187 17 HB3 SER 2 2HB SER 2 -11.189 -17.092 -7.804 18 HG SER 2 HG SER 2 -11.106 -19.711 -8.109 19 H ARG 3 H ARG 3 -8.475 -16.209 -8.520 20 HA ARG 3 HA ARG 3 -6.607 -15.359 -6.569 21 HB2 ARG 3 1HB ARG 3 -6.575 -13.240 -7.951 22 HB3 ARG 3 2HB ARG 3 -6.217 -14.724 -8.824 23 HG2 ARG 3 1HG ARG 3 -8.541 -14.779 -9.641 24 HG3 ARG 3 2HG ARG 3 -8.843 -13.250 -8.817 25 HD2 ARG 3 1HD ARG 3 -8.380 -12.978 -11.230 26 HD3 ARG 3 2HD ARG 3 -7.232 -12.125 -10.201 27 HE ARG 3 HE ARG 3 -6.694 -14.559 -11.759 28 HH11 ARG 3 2HH1 ARG 3 -5.576 -11.782 -9.955 29 HH12 ARG 3 1HH1 ARG 3 -3.886 -12.124 -10.205 30 HH21 ARG 3 2HH2 ARG 3 -4.470 -15.008 -12.128 31 HH22 ARG 3 1HH2 ARG 3 -3.261 -13.970 -11.427 32 H HIS 4 H HIS 4 -6.716 -13.768 -5.025 33 HA HIS 4 HA HIS 4 -9.233 -13.309 -3.818 34 HB2 HIS 4 1HB HIS 4 -7.155 -13.382 -2.515 35 HB3 HIS 4 2HB HIS 4 -6.580 -11.933 -3.329 36 HD1 HIS 4 HD1 HIS 4 -9.773 -12.796 -1.409 37 HD2 HIS 4 HD2 HIS 4 -6.875 -9.820 -1.686 38 HE1 HIS 4 HE1 HIS 4 -10.434 -11.045 0.264 39 HE2 HIS 4 HE2 HIS 4 -8.590 -9.336 0.195 40 H GLN 5 H GLN 5 -7.025 -11.162 -5.608 41 HA GLN 5 HA GLN 5 -8.931 -9.002 -5.549 42 HB2 GLN 5 1HB GLN 5 -7.320 -7.820 -6.989 43 HB3 GLN 5 2HB GLN 5 -6.576 -8.459 -5.534 44 HG2 GLN 5 1HG GLN 5 -5.867 -10.438 -6.958 45 HG3 GLN 5 2HG GLN 5 -6.317 -9.449 -8.346 46 HE21 GLN 5 1HE2 GLN 5 -4.035 -10.041 -5.904 47 HE22 GLN 5 2HE2 GLN 5 -2.896 -8.822 -6.339 48 H PHE 6 H PHE 6 -10.483 -8.594 -6.967 49 HA PHE 6 HA PHE 6 -10.925 -10.402 -9.171 50 HB2 PHE 6 1HB PHE 6 -12.485 -7.957 -8.288 51 HB3 PHE 6 2HB PHE 6 -13.006 -9.112 -9.510 52 HD1 PHE 6 HD2 PHE 6 -12.175 -8.758 -5.922 53 HD2 PHE 6 HD1 PHE 6 -14.141 -11.062 -8.910 54 HE1 PHE 6 HE2 PHE 6 -13.247 -10.110 -4.167 55 HE2 PHE 6 HE1 PHE 6 -15.220 -12.418 -7.159 56 HZ PHE 6 HZ PHE 6 -14.770 -11.945 -4.785 57 H ASP 7 H ASP 7 -11.955 -7.256 -9.923 58 HA ASP 7 HA ASP 7 -9.886 -6.990 -11.965 59 HB2 ASP 7 1HB ASP 7 -12.325 -5.332 -11.377 60 HB3 ASP 7 2HB ASP 7 -11.173 -5.010 -12.686 61 H LEU 8 H LEU 8 -9.649 -6.650 -9.024 62 HA LEU 8 HA LEU 8 -8.838 -3.871 -8.721 63 HB2 LEU 8 1HB LEU 8 -8.310 -6.024 -6.712 64 HB3 LEU 8 2HB LEU 8 -8.687 -4.326 -6.449 65 HG LEU 8 HG LEU 8 -10.699 -6.177 -7.639 66 HD11 LEU 8 1HD1 LEU 8 -11.472 -6.925 -5.629 67 HD12 LEU 8 2HD1 LEU 8 -9.726 -6.952 -5.368 68 HD13 LEU 8 3HD1 LEU 8 -10.696 -5.627 -4.720 69 HD21 LEU 8 3HD2 LEU 8 -10.790 -3.529 -6.231 70 HD22 LEU 8 1HD2 LEU 8 -11.358 -3.939 -7.850 71 HD23 LEU 8 2HD2 LEU 8 -12.229 -4.531 -6.434 72 H ILE 9 H ILE 9 -7.501 -4.753 -10.713 73 HA ILE 9 HA ILE 9 -5.301 -6.403 -10.296 74 HB ILE 9 HB ILE 9 -5.952 -4.385 -12.422 75 HG12 ILE 9 1HG1 ILE 9 -5.922 -6.413 -13.856 76 HG13 ILE 9 2HG1 ILE 9 -5.562 -7.382 -12.430 77 HG21 ILE 9 1HG2 ILE 9 -3.727 -5.990 -13.199 78 HG22 ILE 9 2HG2 ILE 9 -3.902 -4.236 -13.201 79 HG23 ILE 9 3HG2 ILE 9 -3.323 -5.062 -11.754 80 HD11 ILE 9 3HD1 ILE 9 -8.006 -5.669 -12.708 81 HD12 ILE 9 1HD1 ILE 9 -7.944 -7.384 -13.143 82 HD13 ILE 9 2HD1 ILE 9 -7.661 -6.885 -11.468 83 H MET 10 H MET 10 -4.424 -5.805 -8.410 84 HA MET 10 HA MET 10 -3.610 -3.242 -7.757 85 HB2 MET 10 1HB MET 10 -3.448 -4.332 -5.805 86 HB3 MET 10 2HB MET 10 -3.415 -5.878 -6.634 87 HG2 MET 10 1HG MET 10 -1.036 -5.759 -6.863 88 HG3 MET 10 2HG MET 10 -1.023 -4.171 -6.089 89 HE1 MET 10 3HE MET 10 -3.538 -5.277 -3.566 90 HE2 MET 10 1HE MET 10 -2.177 -4.730 -2.584 91 HE3 MET 10 2HE MET 10 -2.596 -3.876 -4.071 92 H CYS 11 H CYS 11 -1.861 -2.066 -8.078 93 HA CYS 11 HA CYS 11 -0.474 -2.002 -10.296 94 HB2 CYS 11 1HB CYS 11 -0.413 -0.534 -8.096 95 HB3 CYS 11 2HB CYS 11 1.131 -1.343 -7.873 96 H LEU 12 H LEU 12 1.066 -3.461 -7.405 97 HA LEU 12 HA LEU 12 2.874 -4.804 -7.189 98 HB2 LEU 12 1HB LEU 12 0.737 -6.025 -8.669 99 HB3 LEU 12 2HB LEU 12 2.274 -6.766 -9.083 100 HG LEU 12 HG LEU 12 2.634 -7.501 -6.923 101 HD11 LEU 12 1HD1 LEU 12 2.396 -6.118 -5.240 102 HD12 LEU 12 2HD1 LEU 12 1.253 -5.135 -6.153 103 HD13 LEU 12 3HD1 LEU 12 0.681 -6.529 -5.237 104 HD21 LEU 12 3HD2 LEU 12 0.460 -8.356 -8.156 105 HD22 LEU 12 1HD2 LEU 12 0.950 -8.957 -6.572 106 HD23 LEU 12 2HD2 LEU 12 -0.287 -7.708 -6.696 107 H LYS 13 H LYS 13 3.664 -2.724 -8.763 108 HA LYS 13 HA LYS 13 5.223 -3.861 -10.956 109 HB2 LYS 13 1HB LYS 13 5.067 -1.024 -9.942 110 HB3 LYS 13 2HB LYS 13 5.922 -1.556 -11.378 111 HG2 LYS 13 1HG LYS 13 3.779 -2.275 -12.348 112 HG3 LYS 13 2HG LYS 13 2.957 -1.597 -10.945 113 HD2 LYS 13 1HD LYS 13 3.996 0.579 -11.433 114 HD3 LYS 13 2HD LYS 13 4.664 -0.118 -12.913 115 HE2 LYS 13 1HE LYS 13 1.753 0.032 -12.208 116 HE3 LYS 13 2HE LYS 13 2.602 1.112 -13.289 117 HZ1 LYS 13 3HZ LYS 13 3.241 -1.159 -14.427 118 HZ2 LYS 13 1HZ LYS 13 1.795 -0.354 -14.806 119 HZ3 LYS 13 2HZ LYS 13 1.777 -1.654 -13.718 120 H GLN 14 H GLN 14 7.274 -1.761 -10.485 121 HA GLN 14 HA GLN 14 8.857 -3.288 -8.538 122 HB2 GLN 14 1HB GLN 14 9.679 -2.743 -10.903 123 HB3 GLN 14 2HB GLN 14 9.850 -1.086 -10.340 124 HG2 GLN 14 1HG GLN 14 11.962 -2.105 -10.163 125 HG3 GLN 14 2HG GLN 14 11.323 -1.941 -8.531 126 HE21 GLN 14 1HE2 GLN 14 9.776 -4.395 -10.259 127 HE22 GLN 14 2HE2 GLN 14 10.652 -5.737 -9.614 128 HA PRO 15 HA PRO 15 7.604 -0.171 -5.561 129 HB2 PRO 15 1HB PRO 15 9.830 -1.480 -4.073 130 HB3 PRO 15 2HB PRO 15 8.187 -1.108 -3.540 131 HG2 PRO 15 1HG PRO 15 8.853 -3.599 -4.176 132 HG3 PRO 15 2HG PRO 15 7.274 -2.941 -4.645 133 HD2 PRO 15 1HD PRO 15 9.711 -3.400 -6.308 134 HD3 PRO 15 2HD PRO 15 7.999 -3.588 -6.738 135 H GLY 16 H GLY 16 8.248 1.842 -5.222 136 HA2 GLY 16 2HA GLY 16 10.974 2.590 -5.992 137 HA3 GLY 16 1HA GLY 16 9.608 3.684 -5.837 138 H VAL 17 H VAL 17 10.479 5.113 -4.417 139 HA VAL 17 HA VAL 17 11.681 4.087 -1.972 140 HB VAL 17 HB VAL 17 12.362 6.437 -1.559 141 HG11 VAL 17 1HG1 VAL 17 13.562 4.637 -3.068 142 HG12 VAL 17 2HG1 VAL 17 13.242 5.823 -4.333 143 HG13 VAL 17 3HG1 VAL 17 14.192 6.278 -2.918 144 HG21 VAL 17 3HG2 VAL 17 10.358 7.212 -3.129 145 HG22 VAL 17 1HG2 VAL 17 11.806 8.195 -2.897 146 HG23 VAL 17 2HG2 VAL 17 11.644 7.190 -4.338 147 H GLN 18 H GLN 18 8.883 5.993 -2.975 148 HA GLN 18 HA GLN 18 8.287 6.872 -0.336 149 HB2 GLN 18 1HB GLN 18 6.621 6.918 -2.849 150 HB3 GLN 18 2HB GLN 18 6.157 7.688 -1.337 151 HG2 GLN 18 1HG GLN 18 8.234 9.047 -1.461 152 HG3 GLN 18 2HG GLN 18 8.539 8.343 -3.052 153 HE21 GLN 18 1HE2 GLN 18 8.212 9.913 -4.453 154 HE22 GLN 18 2HE2 GLN 18 6.802 10.911 -4.538 155 H THR 19 H THR 19 6.865 6.187 1.128 156 HA THR 19 HA THR 19 5.927 3.453 0.916 157 HB THR 19 HB THR 19 5.638 5.409 3.212 158 HG1 THR 19 HG1 THR 19 7.859 4.971 2.648 159 HG21 THR 19 1HG2 THR 19 4.936 3.666 4.524 160 HG22 THR 19 2HG2 THR 19 5.763 2.454 3.541 161 HG23 THR 19 3HG2 THR 19 4.252 3.170 2.976 162 H GLY 20 H GLY 20 3.868 2.859 0.507 163 HA2 GLY 20 2HA GLY 20 1.960 4.736 -0.409 164 HA3 GLY 20 1HA GLY 20 1.665 3.032 -0.107 165 H LEU 21 H LEU 21 0.238 5.675 0.526 166 HA LEU 21 HA LEU 21 -0.010 5.363 3.432 167 HB2 LEU 21 1HB LEU 21 -0.908 7.618 1.643 168 HB3 LEU 21 2HB LEU 21 -1.050 7.581 3.389 169 HG LEU 21 HG LEU 21 1.555 7.587 1.862 170 HD11 LEU 21 1HD1 LEU 21 0.551 9.709 1.597 171 HD12 LEU 21 2HD1 LEU 21 0.015 9.739 3.278 172 HD13 LEU 21 3HD1 LEU 21 1.732 9.869 2.897 173 HD21 LEU 21 3HD2 LEU 21 1.714 6.444 4.011 174 HD22 LEU 21 1HD2 LEU 21 2.556 7.996 4.045 175 HD23 LEU 21 2HD2 LEU 21 0.973 7.835 4.806 176 H LEU 22 H LEU 22 -2.144 5.605 4.379 177 HA LEU 22 HA LEU 22 -4.335 4.706 2.622 178 HB2 LEU 22 1HB LEU 22 -3.818 3.945 5.497 179 HB3 LEU 22 2HB LEU 22 -5.280 3.555 4.610 180 HG LEU 22 HG LEU 22 -2.509 2.560 4.006 181 HD11 LEU 22 1HD1 LEU 22 -4.353 1.695 5.890 182 HD12 LEU 22 2HD1 LEU 22 -4.562 0.596 4.526 183 HD13 LEU 22 3HD1 LEU 22 -2.974 0.786 5.268 184 HD21 LEU 22 3HD2 LEU 22 -5.134 2.062 2.624 185 HD22 LEU 22 1HD2 LEU 22 -3.709 2.852 1.949 186 HD23 LEU 22 2HD2 LEU 22 -3.661 1.132 2.341 187 H CYS 23 H CYS 23 -6.116 5.910 2.683 188 HA CYS 23 HA CYS 23 -6.200 8.301 4.260 189 HB2 CYS 23 1HB CYS 23 -8.142 8.875 3.050 190 HB3 CYS 23 2HB CYS 23 -7.157 7.994 1.892 191 H GLU 24 H GLU 24 -8.089 8.791 5.675 192 HA GLU 24 HA GLU 24 -8.233 6.884 7.719 193 HB2 GLU 24 1HB GLU 24 -10.086 9.226 7.278 194 HB3 GLU 24 2HB GLU 24 -9.804 8.385 8.800 195 HG2 GLU 24 1HG GLU 24 -7.405 9.058 8.630 196 HG3 GLU 24 2HG GLU 24 -7.846 10.047 7.241 197 H LYS 25 H LYS 25 -10.034 7.181 4.856 198 HA LYS 25 HA LYS 25 -12.397 5.833 5.766 199 HB2 LYS 25 1HB LYS 25 -11.415 6.397 2.965 200 HB3 LYS 25 2HB LYS 25 -13.027 5.834 3.395 201 HG2 LYS 25 1HG LYS 25 -13.561 7.864 4.465 202 HG3 LYS 25 2HG LYS 25 -11.879 8.393 4.463 203 HD2 LYS 25 1HD LYS 25 -11.909 8.625 2.067 204 HD3 LYS 25 2HD LYS 25 -13.539 7.954 1.987 205 HE2 LYS 25 1HE LYS 25 -12.785 10.502 3.411 206 HE3 LYS 25 2HE LYS 25 -13.483 10.421 1.794 207 HZ1 LYS 25 3HZ LYS 25 -15.070 8.922 3.585 208 HZ2 LYS 25 1HZ LYS 25 -15.493 10.285 2.673 209 HZ3 LYS 25 2HZ LYS 25 -14.829 10.474 4.222 210 H CYS 26 H CYS 26 -9.386 4.876 4.181 211 HA CYS 26 HA CYS 26 -10.291 2.066 4.303 212 HB2 CYS 26 1HB CYS 26 -7.819 2.928 2.820 213 HB3 CYS 26 2HB CYS 26 -8.762 1.462 2.619 214 H ASP 27 H ASP 27 -9.445 3.714 6.486 215 HA ASP 27 HA ASP 27 -6.709 3.429 7.031 216 HB2 ASP 27 1HB ASP 27 -8.303 5.134 8.015 217 HB3 ASP 27 2HB ASP 27 -8.866 3.864 9.095 218 H GLY 28 H GLY 28 -5.559 1.901 7.898 219 HA2 GLY 28 2HA GLY 28 -4.943 0.094 9.170 220 HA3 GLY 28 1HA GLY 28 -6.547 0.119 9.884 221 H LYS 29 H LYS 29 -6.089 -0.164 6.436 222 HA LYS 29 HA LYS 29 -6.832 -3.007 6.652 223 HB2 LYS 29 1HB LYS 29 -7.452 -1.187 4.326 224 HB3 LYS 29 2HB LYS 29 -7.996 -2.843 4.545 225 HG2 LYS 29 1HG LYS 29 -9.197 -2.003 6.622 226 HG3 LYS 29 2HG LYS 29 -8.875 -0.380 6.009 227 HD2 LYS 29 1HD LYS 29 -10.433 -2.564 4.626 228 HD3 LYS 29 2HD LYS 29 -11.080 -1.075 5.315 229 HE2 LYS 29 1HE LYS 29 -9.838 0.237 3.682 230 HE3 LYS 29 2HE LYS 29 -9.138 -1.237 3.014 231 HZ1 LYS 29 3HZ LYS 29 -11.722 -0.064 2.555 232 HZ2 LYS 29 1HZ LYS 29 -11.801 -1.719 2.915 233 HZ3 LYS 29 2HZ LYS 29 -10.856 -1.184 1.619 234 H CYS 30 H CYS 30 -5.395 -4.398 5.881 235 HA CYS 30 HA CYS 30 -2.943 -3.628 4.703 236 HB2 CYS 30 1HB CYS 30 -3.076 -5.698 5.901 237 HB3 CYS 30 2HB CYS 30 -4.406 -6.264 4.900 238 HA PRO 31 HA PRO 31 -4.603 -2.504 0.744 239 HB2 PRO 31 1HB PRO 31 -1.755 -2.894 -0.052 240 HB3 PRO 31 2HB PRO 31 -2.832 -1.523 -0.347 241 HG2 PRO 31 1HG PRO 31 -0.953 -1.383 1.526 242 HG3 PRO 31 2HG PRO 31 -2.557 -0.675 1.789 243 HD2 PRO 31 1HD PRO 31 -1.386 -3.182 2.896 244 HD3 PRO 31 2HD PRO 31 -2.513 -2.033 3.644 245 H ILE 32 H ILE 32 -2.319 -5.181 1.011 246 HA ILE 32 HA ILE 32 -2.718 -6.289 -1.514 247 HB ILE 32 HB ILE 32 -1.965 -7.745 1.018 248 HG12 ILE 32 1HG1 ILE 32 -0.560 -5.703 0.266 249 HG13 ILE 32 2HG1 ILE 32 0.281 -7.208 0.619 250 HG21 ILE 32 1HG2 ILE 32 -1.584 -9.589 -0.189 251 HG22 ILE 32 2HG2 ILE 32 -2.634 -8.835 -1.391 252 HG23 ILE 32 3HG2 ILE 32 -0.882 -8.681 -1.530 253 HD11 ILE 32 3HD1 ILE 32 0.883 -5.830 -1.493 254 HD12 ILE 32 1HD1 ILE 32 0.793 -7.591 -1.583 255 HD13 ILE 32 2HD1 ILE 32 -0.545 -6.606 -2.179 256 H CYS 33 H CYS 33 -4.256 -7.184 1.584 257 HA CYS 33 HA CYS 33 -6.058 -8.909 0.034 258 HB2 CYS 33 1HB CYS 33 -6.219 -10.322 1.999 259 HB3 CYS 33 2HB CYS 33 -4.531 -10.070 1.575 260 H ASP 34 H ASP 34 -6.083 -6.072 1.814 261 HA ASP 34 HA ASP 34 -7.725 -4.738 2.647 262 HB2 ASP 34 1HB ASP 34 -8.888 -5.344 0.505 263 HB3 ASP 34 2HB ASP 34 -9.688 -6.654 1.364 264 H SER 35 H SER 35 -6.818 -5.777 4.640 265 HA SER 35 HA SER 35 -8.947 -6.926 6.254 266 HB2 SER 35 1HB SER 35 -7.848 -8.861 5.155 267 HB3 SER 35 2HB SER 35 -6.304 -8.349 5.834 268 HG SER 35 HG SER 35 -7.508 -10.027 7.001 269 H TYR 36 H TYR 36 -8.697 -6.559 8.426 270 HA TYR 36 HA TYR 36 -6.744 -4.524 9.122 271 HB2 TYR 36 1HB TYR 36 -9.032 -5.722 10.696 272 HB3 TYR 36 2HB TYR 36 -8.018 -4.403 11.261 273 HD1 TYR 36 HD1 TYR 36 -9.986 -5.204 8.168 274 HD2 TYR 36 HD2 TYR 36 -8.980 -2.324 11.132 275 HE1 TYR 36 HE1 TYR 36 -11.507 -3.593 7.111 276 HE2 TYR 36 HE2 TYR 36 -10.503 -0.703 10.082 277 HH TYR 36 HH TYR 36 -11.463 -0.356 7.679 278 H VAL 37 H VAL 37 -6.562 -7.745 9.036 279 HA VAL 37 HA VAL 37 -5.724 -8.573 11.562 280 HB VAL 37 HB VAL 37 -6.329 -10.102 9.731 281 HG11 VAL 37 1HG1 VAL 37 -5.428 -9.413 7.761 282 HG12 VAL 37 2HG1 VAL 37 -3.892 -8.951 8.495 283 HG13 VAL 37 3HG1 VAL 37 -4.253 -10.652 8.204 284 HG21 VAL 37 3HG2 VAL 37 -4.796 -10.696 11.740 285 HG22 VAL 37 1HG2 VAL 37 -4.975 -11.846 10.414 286 HG23 VAL 37 2HG2 VAL 37 -3.538 -10.830 10.512 287 H ARG 38 H ARG 38 -3.675 -9.022 12.412 288 HA ARG 38 HA ARG 38 -1.967 -7.125 12.910 289 HB2 ARG 38 1HB ARG 38 -1.015 -9.929 12.328 290 HB3 ARG 38 2HB ARG 38 -0.155 -8.737 13.289 291 HG2 ARG 38 1HG ARG 38 -2.833 -9.930 13.948 292 HG3 ARG 38 2HG ARG 38 -1.289 -10.363 14.684 293 HD2 ARG 38 1HD ARG 38 -2.555 -7.627 14.778 294 HD3 ARG 38 2HD ARG 38 -2.616 -8.814 16.078 295 HE ARG 38 HE ARG 38 0.073 -8.284 15.322 296 HH11 ARG 38 2HH1 ARG 38 -2.630 -6.866 17.055 297 HH12 ARG 38 1HH1 ARG 38 -1.618 -5.969 18.143 298 HH21 ARG 38 2HH2 ARG 38 1.393 -7.069 16.708 299 HH22 ARG 38 1HH2 ARG 38 0.676 -6.065 17.936 300 HA PRO 39 HA PRO 39 0.224 -5.932 9.217 301 HB2 PRO 39 1HB PRO 39 1.745 -4.027 10.343 302 HB3 PRO 39 2HB PRO 39 0.009 -3.803 10.094 303 HG2 PRO 39 1HG PRO 39 1.487 -4.526 12.588 304 HG3 PRO 39 2HG PRO 39 0.122 -3.418 12.378 305 HD2 PRO 39 1HD PRO 39 -0.101 -6.002 13.289 306 HD3 PRO 39 2HD PRO 39 -1.413 -5.097 12.506 307 H LYS 40 H LYS 40 2.848 -5.058 9.276 308 HA LYS 40 HA LYS 40 4.593 -6.781 10.713 309 HB2 LYS 40 1HB LYS 40 3.645 -8.427 9.133 310 HB3 LYS 40 2HB LYS 40 4.166 -7.426 7.787 311 HG2 LYS 40 1HG LYS 40 5.718 -9.214 8.025 312 HG3 LYS 40 2HG LYS 40 6.517 -7.732 8.554 313 HD2 LYS 40 1HD LYS 40 5.137 -9.161 10.701 314 HD3 LYS 40 2HD LYS 40 6.437 -10.088 9.952 315 HE2 LYS 40 1HE LYS 40 6.723 -7.280 11.011 316 HE3 LYS 40 2HE LYS 40 7.165 -8.734 11.903 317 HZ1 LYS 40 3HZ LYS 40 9.002 -9.057 10.656 318 HZ2 LYS 40 1HZ LYS 40 8.886 -7.378 10.423 319 HZ3 LYS 40 2HZ LYS 40 8.308 -8.442 9.237 320 H ARG 41 H ARG 41 4.277 -5.054 7.599 321 HA ARG 41 HA ARG 41 6.571 -3.383 8.247 322 HB2 ARG 41 1HB ARG 41 7.557 -5.475 7.349 323 HB3 ARG 41 2HB ARG 41 6.614 -5.276 5.882 324 HG2 ARG 41 1HG ARG 41 7.826 -3.286 5.307 325 HG3 ARG 41 2HG ARG 41 8.683 -3.319 6.850 326 HD2 ARG 41 1HD ARG 41 10.103 -4.188 5.081 327 HD3 ARG 41 2HD ARG 41 9.703 -5.462 6.230 328 HE ARG 41 HE ARG 41 8.695 -6.611 4.538 329 HH11 ARG 41 2HH1 ARG 41 8.982 -3.253 3.554 330 HH12 ARG 41 1HH1 ARG 41 8.305 -3.526 1.975 331 HH21 ARG 41 2HH2 ARG 41 7.808 -6.975 2.456 332 HH22 ARG 41 1HH2 ARG 41 7.668 -5.639 1.349 333 H LYS 42 H LYS 42 6.667 -1.495 7.024 334 HA LYS 42 HA LYS 42 4.248 -0.561 5.940 335 HB2 LYS 42 1HB LYS 42 7.059 0.501 5.772 336 HB3 LYS 42 2HB LYS 42 5.692 1.332 5.046 337 HG2 LYS 42 1HG LYS 42 4.633 1.388 7.311 338 HG3 LYS 42 2HG LYS 42 6.152 0.763 7.961 339 HD2 LYS 42 1HD LYS 42 7.338 2.696 7.055 340 HD3 LYS 42 2HD LYS 42 5.829 3.315 6.381 341 HE2 LYS 42 1HE LYS 42 4.908 3.523 8.631 342 HE3 LYS 42 2HE LYS 42 6.402 2.877 9.311 343 HZ1 LYS 42 3HZ LYS 42 5.844 5.509 8.867 344 HZ2 LYS 42 1HZ LYS 42 6.866 5.104 7.574 345 HZ3 LYS 42 2HZ LYS 42 7.376 4.854 9.171 346 H VAL 43 H VAL 43 3.525 -0.235 3.916 347 HA VAL 43 HA VAL 43 4.534 -1.970 1.861 348 HB VAL 43 HB VAL 43 2.642 -1.202 0.535 349 HG11 VAL 43 1HG1 VAL 43 2.378 -2.871 2.434 350 HG12 VAL 43 2HG1 VAL 43 1.638 -1.552 3.341 351 HG13 VAL 43 3HG1 VAL 43 0.906 -2.106 1.836 352 HG21 VAL 43 3HG2 VAL 43 2.145 0.974 0.775 353 HG22 VAL 43 1HG2 VAL 43 1.079 0.398 2.059 354 HG23 VAL 43 2HG2 VAL 43 2.685 1.012 2.454 355 H ARG 44 H ARG 44 5.622 -1.420 0.011 356 HA ARG 44 HA ARG 44 6.409 1.407 -0.220 357 HB2 ARG 44 1HB ARG 44 7.824 -1.111 -1.067 358 HB3 ARG 44 2HB ARG 44 8.270 0.470 -1.696 359 HG2 ARG 44 1HG ARG 44 8.777 1.255 0.532 360 HG3 ARG 44 2HG ARG 44 8.235 -0.277 1.219 361 HD2 ARG 44 1HD ARG 44 10.665 -0.157 1.072 362 HD3 ARG 44 2HD ARG 44 10.016 -1.449 0.067 363 HE ARG 44 HE ARG 44 10.337 0.916 -1.460 364 HH11 ARG 44 2HH1 ARG 44 12.157 -1.716 -0.028 365 HH12 ARG 44 1HH1 ARG 44 13.515 -1.525 -1.106 366 HH21 ARG 44 2HH2 ARG 44 12.075 1.117 -2.919 367 HH22 ARG 44 1HH2 ARG 44 13.436 0.042 -2.787 368 H VAL 45 H VAL 45 5.499 2.508 -1.778 369 HA VAL 45 HA VAL 45 4.004 1.163 -3.841 370 HB VAL 45 HB VAL 45 3.610 3.489 -2.554 371 HG11 VAL 45 1HG1 VAL 45 3.876 5.363 -4.052 372 HG12 VAL 45 2HG1 VAL 45 5.435 4.651 -3.636 373 HG13 VAL 45 3HG1 VAL 45 4.706 4.317 -5.207 374 HG21 VAL 45 3HG2 VAL 45 2.377 2.020 -4.529 375 HG22 VAL 45 1HG2 VAL 45 1.675 3.284 -3.518 376 HG23 VAL 45 2HG2 VAL 45 2.362 3.692 -5.095 377 H CYS 46 H CYS 46 4.434 1.291 -6.024 378 HA CYS 46 HA CYS 46 7.183 1.153 -6.687 379 HB2 CYS 46 1HB CYS 46 6.527 0.511 -8.841 380 HB3 CYS 46 2HB CYS 46 5.202 -0.051 -7.834 381 H GLU 47 H GLU 47 8.239 2.419 -8.397 382 HA GLU 47 HA GLU 47 8.192 5.183 -7.845 383 HB2 GLU 47 1HB GLU 47 10.159 3.985 -8.741 384 HB3 GLU 47 2HB GLU 47 9.315 3.755 -10.266 385 HG2 GLU 47 1HG GLU 47 9.293 6.124 -10.671 386 HG3 GLU 47 2HG GLU 47 9.990 6.435 -9.081 387 H ASN 48 H ASN 48 6.510 3.188 -10.130 388 HA ASN 48 HA ASN 48 5.451 5.362 -11.693 389 HB2 ASN 48 1HB ASN 48 4.802 2.423 -11.541 390 HB3 ASN 48 2HB ASN 48 3.984 3.548 -12.613 391 HD21 ASN 48 1HD2 ASN 48 4.852 3.945 -14.541 392 HD22 ASN 48 2HD2 ASN 48 6.426 3.430 -15.046 393 H CYS 49 H CYS 49 5.105 5.622 -8.945 394 HA CYS 49 HA CYS 49 2.341 6.308 -8.860 395 HB2 CYS 49 1HB CYS 49 3.376 4.210 -6.919 396 HB3 CYS 49 2HB CYS 49 1.999 5.243 -6.559 397 H SER 50 H SER 50 5.438 5.973 -7.262 398 HA SER 50 HA SER 50 4.981 8.329 -5.622 399 HB2 SER 50 1HB SER 50 7.198 7.759 -4.662 400 HB3 SER 50 2HB SER 50 6.062 6.413 -4.574 401 HG SER 50 HG SER 50 8.104 6.769 -6.515 402 H PHE 51 H PHE 51 5.087 8.653 -8.496 403 HA PHE 51 HA PHE 51 7.687 9.622 -9.155 404 HB2 PHE 51 1HB PHE 51 6.240 10.661 -11.135 405 HB3 PHE 51 2HB PHE 51 6.739 8.984 -11.107 406 HD1 PHE 51 HD2 PHE 51 3.898 10.942 -9.627 407 HD2 PHE 51 HD1 PHE 51 5.156 7.576 -11.906 408 HE1 PHE 51 HE2 PHE 51 1.556 10.234 -9.873 409 HE2 PHE 51 HE1 PHE 51 2.815 6.874 -12.168 410 HZ PHE 51 HZ PHE 51 1.011 8.200 -11.148 411 H GLY 52 H GLY 52 4.760 11.088 -7.925 412 HA2 GLY 52 2HA GLY 52 5.805 13.140 -6.605 413 HA3 GLY 52 1HA GLY 52 5.838 13.778 -8.243 414 H LYS 53 H LYS 53 3.701 13.644 -9.418 415 HA LYS 53 HA LYS 53 1.690 14.900 -7.796 416 HB2 LYS 53 1HB LYS 53 2.129 15.517 -10.163 417 HB3 LYS 53 2HB LYS 53 1.560 13.933 -10.659 418 HG2 LYS 53 1HG LYS 53 -0.298 15.189 -11.042 419 HG3 LYS 53 2HG LYS 53 -0.615 14.647 -9.395 420 HD2 LYS 53 1HD LYS 53 0.701 17.276 -10.050 421 HD3 LYS 53 2HD LYS 53 -1.041 17.091 -9.848 422 HE2 LYS 53 1HE LYS 53 -0.654 16.240 -7.566 423 HE3 LYS 53 2HE LYS 53 1.075 16.502 -7.779 424 HZ1 LYS 53 3HZ LYS 53 0.626 18.868 -8.095 425 HZ2 LYS 53 1HZ LYS 53 0.087 18.330 -6.579 426 HZ3 LYS 53 2HZ LYS 53 -1.027 18.597 -7.832 427 H GLN 54 H GLN 54 0.146 13.895 -6.671 428 HA GLN 54 HA GLN 54 -1.343 12.339 -5.943 429 HB2 GLN 54 1HB GLN 54 -1.007 11.148 -8.698 430 HB3 GLN 54 2HB GLN 54 -2.215 10.647 -7.521 431 HG2 GLN 54 1HG GLN 54 -3.142 12.903 -7.537 432 HG3 GLN 54 2HG GLN 54 -1.956 13.363 -8.758 433 HE21 GLN 54 1HE2 GLN 54 -2.949 13.557 -10.639 434 HE22 GLN 54 2HE2 GLN 54 -4.120 12.462 -11.291 435 H ALA 55 H ALA 55 1.071 12.079 -5.015 436 HA ALA 55 HA ALA 55 1.877 9.285 -5.366 437 HB1 ALA 55 3HB ALA 55 3.356 11.542 -5.510 438 HB2 ALA 55 1HB ALA 55 3.624 11.071 -3.829 439 HB3 ALA 55 2HB ALA 55 4.006 9.944 -5.134 440 H LYS 56 H LYS 56 0.810 11.630 -2.992 441 HA LYS 56 HA LYS 56 1.181 9.693 -0.830 442 HB2 LYS 56 1HB LYS 56 0.198 12.545 -0.709 443 HB3 LYS 56 2HB LYS 56 0.547 11.506 0.671 444 HG2 LYS 56 1HG LYS 56 2.886 11.471 0.106 445 HG3 LYS 56 2HG LYS 56 2.579 12.381 -1.375 446 HD2 LYS 56 1HD LYS 56 2.045 13.383 1.421 447 HD3 LYS 56 2HD LYS 56 3.460 13.792 0.450 448 HE2 LYS 56 1HE LYS 56 2.001 14.798 -1.244 449 HE3 LYS 56 2HE LYS 56 0.590 14.395 -0.268 450 HZ1 LYS 56 3HZ LYS 56 2.359 16.614 -0.046 451 HZ2 LYS 56 1HZ LYS 56 2.256 15.773 1.423 452 HZ3 LYS 56 2HZ LYS 56 0.850 16.369 0.684 453 H ASN 57 H ASN 57 -1.036 9.766 -3.067 454 HA ASN 57 HA ASN 57 -3.415 9.990 -1.484 455 HB2 ASN 57 1HB ASN 57 -4.653 9.078 -3.364 456 HB3 ASN 57 2HB ASN 57 -3.580 10.338 -3.913 457 HD21 ASN 57 1HD2 ASN 57 -2.756 9.921 -5.786 458 HD22 ASN 57 2HD2 ASN 57 -2.271 8.374 -6.386 459 H CYS 58 H CYS 58 -4.728 8.367 -0.794 460 HA CYS 58 HA CYS 58 -3.478 6.207 0.455 461 HB2 CYS 58 1HB CYS 58 -5.459 7.031 1.382 462 HB3 CYS 58 2HB CYS 58 -6.311 6.960 -0.151 463 H ILE 59 H ILE 59 -2.693 4.506 -0.414 464 HA ILE 59 HA ILE 59 -2.762 3.881 -3.078 465 HB ILE 59 HB ILE 59 -1.766 1.676 -2.373 466 HG12 ILE 59 1HG1 ILE 59 -2.465 2.841 0.316 467 HG13 ILE 59 2HG1 ILE 59 -2.768 1.217 -0.288 468 HG21 ILE 59 1HG2 ILE 59 0.020 2.985 -2.662 469 HG22 ILE 59 2HG2 ILE 59 -0.806 4.379 -1.969 470 HG23 ILE 59 3HG2 ILE 59 0.017 3.229 -0.915 471 HD11 ILE 59 3HD1 ILE 59 -0.545 2.225 1.219 472 HD12 ILE 59 1HD1 ILE 59 -0.975 0.559 0.811 473 HD13 ILE 59 2HD1 ILE 59 0.004 1.513 -0.302 474 H ILE 60 H ILE 60 -4.915 2.725 -0.578 475 HA ILE 60 HA ILE 60 -5.899 0.516 -2.055 476 HB ILE 60 HB ILE 60 -6.943 1.933 0.384 477 HG12 ILE 60 1HG1 ILE 60 -5.695 -0.777 -0.114 478 HG13 ILE 60 2HG1 ILE 60 -4.947 0.590 0.706 479 HG21 ILE 60 1HG2 ILE 60 -8.545 0.045 0.616 480 HG22 ILE 60 2HG2 ILE 60 -8.912 1.134 -0.723 481 HG23 ILE 60 3HG2 ILE 60 -8.159 -0.431 -1.036 482 HD11 ILE 60 3HD1 ILE 60 -6.214 0.301 2.612 483 HD12 ILE 60 1HD1 ILE 60 -7.473 -0.592 1.763 484 HD13 ILE 60 2HD1 ILE 60 -5.919 -1.359 2.094 485 H CYS 61 H CYS 61 -7.170 3.848 -1.631 486 HA CYS 61 HA CYS 61 -9.216 3.112 -3.593 487 HB2 CYS 61 1HB CYS 61 -10.373 5.236 -2.999 488 HB3 CYS 61 2HB CYS 61 -10.265 4.065 -1.686 489 H ASN 62 H ASN 62 -6.277 4.766 -3.393 490 HA ASN 62 HA ASN 62 -5.033 5.982 -4.810 491 HB2 ASN 62 1HB ASN 62 -5.094 5.459 -7.108 492 HB3 ASN 62 2HB ASN 62 -5.677 4.014 -6.302 493 HD21 ASN 62 1HD2 ASN 62 -7.531 3.170 -6.968 494 HD22 ASN 62 2HD2 ASN 62 -8.712 3.969 -7.957 495 H LEU 63 H LEU 63 -7.638 7.061 -3.722 496 HA LEU 63 HA LEU 63 -7.824 9.361 -5.535 497 HB2 LEU 63 1HB LEU 63 -9.684 7.419 -5.311 498 HB3 LEU 63 2HB LEU 63 -10.244 8.510 -4.067 499 HG LEU 63 HG LEU 63 -11.423 9.036 -6.064 500 HD11 LEU 63 1HD1 LEU 63 -10.168 11.330 -6.640 501 HD12 LEU 63 2HD1 LEU 63 -11.127 11.093 -5.179 502 HD13 LEU 63 3HD1 LEU 63 -9.371 10.930 -5.117 503 HD21 LEU 63 3HD2 LEU 63 -9.619 7.906 -7.472 504 HD22 LEU 63 1HD2 LEU 63 -10.461 9.290 -8.174 505 HD23 LEU 63 2HD2 LEU 63 -8.838 9.487 -7.507 506 H ASN 64 H ASN 64 -8.977 8.331 -2.311 507 HA ASN 64 HA ASN 64 -8.904 11.007 -1.305 508 HB2 ASN 64 1HB ASN 64 -9.211 8.345 0.093 509 HB3 ASN 64 2HB ASN 64 -9.298 9.896 0.919 510 HD21 ASN 64 1HD2 ASN 64 -11.082 7.515 -0.473 511 HD22 ASN 64 2HD2 ASN 64 -12.526 8.402 -0.825 512 H VAL 65 H VAL 65 -7.406 11.970 0.022 513 HA VAL 65 HA VAL 65 -4.725 11.293 -0.433 514 HB VAL 65 HB VAL 65 -5.782 13.064 1.777 515 HG11 VAL 65 1HG1 VAL 65 -3.085 12.697 0.519 516 HG12 VAL 65 2HG1 VAL 65 -3.528 14.204 1.320 517 HG13 VAL 65 3HG1 VAL 65 -3.520 12.693 2.228 518 HG21 VAL 65 3HG2 VAL 65 -6.691 13.848 -0.292 519 HG22 VAL 65 1HG2 VAL 65 -5.345 14.906 0.134 520 HG23 VAL 65 2HG2 VAL 65 -5.137 13.668 -1.105 521 H GLY 66 H GLY 66 -3.258 10.111 0.644 522 HA2 GLY 66 2HA GLY 66 -4.181 8.272 2.633 523 HA3 GLY 66 1HA GLY 66 -2.548 8.399 2.006 524 H VAL 67 H VAL 67 -3.815 8.191 4.730 525 HA VAL 67 HA VAL 67 -2.630 10.572 5.977 526 HB VAL 67 HB VAL 67 -4.587 8.588 7.144 527 HG11 VAL 67 1HG1 VAL 67 -3.454 11.175 8.160 528 HG12 VAL 67 2HG1 VAL 67 -4.930 10.460 8.807 529 HG13 VAL 67 3HG1 VAL 67 -3.403 9.579 8.916 530 HG21 VAL 67 3HG2 VAL 67 -5.196 10.280 5.160 531 HG22 VAL 67 1HG2 VAL 67 -6.331 9.836 6.440 532 HG23 VAL 67 2HG2 VAL 67 -5.432 11.352 6.545 533 H ASN 68 H ASN 68 -3.106 7.113 6.641 534 HA ASN 68 HA ASN 68 -0.620 7.149 8.210 535 HB2 ASN 68 1HB ASN 68 -2.880 5.133 8.183 536 HB3 ASN 68 2HB ASN 68 -1.461 5.063 9.220 537 HD21 ASN 68 1HD2 ASN 68 -4.588 5.712 9.297 538 HD22 ASN 68 2HD2 ASN 68 -4.642 6.947 10.512 539 H ASP 69 H ASP 69 1.094 5.870 7.674 540 HA ASP 69 HA ASP 69 1.301 4.867 5.016 541 HB2 ASP 69 1HB ASP 69 3.045 4.125 7.390 542 HB3 ASP 69 2HB ASP 69 3.464 3.977 5.689 543 H ALA 70 H ALA 70 0.747 2.944 4.223 544 HA ALA 70 HA ALA 70 -0.748 1.141 5.855 545 HB1 ALA 70 3HB ALA 70 -1.656 0.857 3.849 546 HB2 ALA 70 1HB ALA 70 -0.232 1.497 3.026 547 HB3 ALA 70 2HB ALA 70 -0.288 -0.204 3.501 548 H PHE 71 H PHE 71 -0.307 -0.920 6.496 549 HA PHE 71 HA PHE 71 2.480 -1.825 6.169 550 HB2 PHE 71 1HB PHE 71 0.591 -2.162 8.499 551 HB3 PHE 71 2HB PHE 71 2.012 -3.177 8.292 552 HD1 PHE 71 HD1 PHE 71 1.214 0.481 8.205 553 HD2 PHE 71 HD2 PHE 71 3.809 -2.608 9.556 554 HE1 PHE 71 HE1 PHE 71 2.575 2.150 9.392 555 HE2 PHE 71 HE2 PHE 71 5.179 -0.945 10.743 556 HZ PHE 71 HZ PHE 71 4.562 1.437 10.664 557 H TYR 72 H TYR 72 2.794 -3.824 5.349 558 HA TYR 72 HA TYR 72 0.625 -5.355 4.261 559 HB2 TYR 72 1HB TYR 72 3.451 -6.269 4.866 560 HB3 TYR 72 2HB TYR 72 2.290 -7.103 3.848 561 HD1 TYR 72 HD1 TYR 72 1.596 -5.991 1.659 562 HD2 TYR 72 HD2 TYR 72 4.904 -4.676 3.986 563 HE1 TYR 72 HE1 TYR 72 2.548 -4.894 -0.325 564 HE2 TYR 72 HE2 TYR 72 5.859 -3.566 2.016 565 HH TYR 72 HH TYR 72 4.440 -3.924 -1.183 566 H CYS 73 H CYS 73 -0.542 -6.939 5.274 567 HA CYS 73 HA CYS 73 -0.185 -7.315 8.092 568 HB2 CYS 73 1HB CYS 73 -2.183 -8.509 8.080 569 HB3 CYS 73 2HB CYS 73 -2.405 -7.381 6.749 570 H TRP 74 H TRP 74 0.223 -9.344 9.122 571 HA TRP 74 HA TRP 74 2.553 -10.558 8.320 572 HB2 TRP 74 1HB TRP 74 1.718 -10.717 10.618 573 HB3 TRP 74 2HB TRP 74 0.405 -11.763 10.080 574 HD1 TRP 74 HD1 TRP 74 4.282 -11.798 10.141 575 HE1 TRP 74 HE1 TRP 74 5.063 -14.243 10.400 576 HE3 TRP 74 HE3 TRP 74 -0.271 -14.107 9.998 577 HZ2 TRP 74 HZ2 TRP 74 3.890 -16.804 10.511 578 HZ3 TRP 74 HZ3 TRP 74 -0.353 -16.558 10.173 579 HH2 TRP 74 HH2 TRP 74 1.684 -17.877 10.426 580 H GLU 75 H GLU 75 -0.749 -11.672 7.719 581 HA GLU 75 HA GLU 75 -0.110 -14.198 6.739 582 HB2 GLU 75 1HB GLU 75 -2.412 -12.447 5.857 583 HB3 GLU 75 2HB GLU 75 -2.301 -14.189 5.657 584 HG2 GLU 75 1HG GLU 75 -2.271 -14.435 8.111 585 HG3 GLU 75 2HG GLU 75 -2.491 -12.692 8.258 586 H CYS 76 H CYS 76 -0.371 -11.100 5.067 587 HA CYS 76 HA CYS 76 0.088 -12.154 2.476 588 HB2 CYS 76 1HB CYS 76 0.242 -9.373 3.610 589 HB3 CYS 76 2HB CYS 76 0.672 -9.715 1.937 590 H CYS 77 H CYS 77 2.272 -10.834 4.964 591 HA CYS 77 HA CYS 77 4.539 -10.933 3.204 592 HB2 CYS 77 1HB CYS 77 5.896 -10.402 5.118 593 HB3 CYS 77 2HB CYS 77 4.439 -9.419 5.179 594 HG CYS 77 HG CYS 77 5.578 -11.695 7.340 595 H ARG 78 H ARG 78 3.059 -13.110 5.503 596 HA ARG 78 HA ARG 78 5.096 -15.066 5.599 597 HB2 ARG 78 1HB ARG 78 3.280 -15.047 7.217 598 HB3 ARG 78 2HB ARG 78 2.101 -15.319 5.943 599 HG2 ARG 78 1HG ARG 78 2.489 -17.358 7.167 600 HG3 ARG 78 2HG ARG 78 3.089 -17.523 5.516 601 HD2 ARG 78 1HD ARG 78 5.363 -17.058 6.312 602 HD3 ARG 78 2HD ARG 78 4.752 -16.929 7.961 603 HE ARG 78 HE ARG 78 3.965 -19.407 6.959 604 HH11 ARG 78 2HH1 ARG 78 6.917 -17.726 7.809 605 HH12 ARG 78 1HH1 ARG 78 7.783 -19.183 8.186 606 HH21 ARG 78 2HH2 ARG 78 5.088 -21.313 7.455 607 HH22 ARG 78 1HH2 ARG 78 6.746 -21.238 7.986 608 H LEU 79 H LEU 79 2.260 -14.682 3.516 609 HA LEU 79 HA LEU 79 2.808 -17.021 1.972 610 HB2 LEU 79 1HB LEU 79 1.040 -14.654 1.345 611 HB3 LEU 79 2HB LEU 79 1.040 -16.183 0.485 612 HG LEU 79 HG LEU 79 0.249 -15.775 3.372 613 HD11 LEU 79 1HD1 LEU 79 -1.970 -16.076 2.715 614 HD12 LEU 79 2HD1 LEU 79 -1.307 -14.980 1.502 615 HD13 LEU 79 3HD1 LEU 79 -1.514 -16.692 1.129 616 HD21 LEU 79 3HD2 LEU 79 0.622 -18.219 1.694 617 HD22 LEU 79 1HD2 LEU 79 1.114 -17.919 3.361 618 HD23 LEU 79 2HD2 LEU 79 -0.585 -18.197 2.979 619 H GLY 80 H GLY 80 3.453 -13.576 1.595 620 HA2 GLY 80 2HA GLY 80 5.575 -12.977 0.575 621 HA3 GLY 80 1HA GLY 80 5.319 -14.273 -0.582 622 H LYS 81 H LYS 81 2.754 -12.118 0.369 623 HA LYS 81 HA LYS 81 2.499 -11.163 -2.351 624 HB2 LYS 81 1HB LYS 81 0.858 -10.809 0.147 625 HB3 LYS 81 2HB LYS 81 0.521 -9.905 -1.323 626 HG2 LYS 81 1HG LYS 81 -0.639 -11.605 -2.129 627 HG3 LYS 81 2HG LYS 81 0.771 -12.658 -1.992 628 HD2 LYS 81 1HD LYS 81 0.176 -13.329 0.194 629 HD3 LYS 81 2HD LYS 81 -1.026 -12.045 0.339 630 HE2 LYS 81 1HE LYS 81 -2.061 -14.240 -0.040 631 HE3 LYS 81 2HE LYS 81 -2.410 -13.108 -1.344 632 HZ1 LYS 81 3HZ LYS 81 -1.692 -15.526 -1.882 633 HZ2 LYS 81 1HZ LYS 81 -0.123 -14.949 -1.604 634 HZ3 LYS 81 2HZ LYS 81 -1.085 -14.245 -2.812 635 H ASP 82 H ASP 82 3.762 -10.142 0.683 636 HA ASP 82 HA ASP 82 3.724 -7.345 0.292 637 HB2 ASP 82 1HB ASP 82 5.234 -7.193 2.113 638 HB3 ASP 82 2HB ASP 82 4.195 -8.564 2.475 639 H LYS 83 H LYS 83 5.851 -9.886 -0.777 640 HA LYS 83 HA LYS 83 7.717 -7.964 -1.923 641 HB2 LYS 83 1HB LYS 83 9.041 -9.997 -2.523 642 HB3 LYS 83 2HB LYS 83 8.767 -9.795 -0.798 643 HG2 LYS 83 1HG LYS 83 7.039 -11.475 -0.833 644 HG3 LYS 83 2HG LYS 83 7.172 -11.617 -2.586 645 HD2 LYS 83 1HD LYS 83 9.484 -12.390 -2.337 646 HD3 LYS 83 2HD LYS 83 9.333 -12.267 -0.584 647 HE2 LYS 83 1HE LYS 83 9.033 -14.570 -1.340 648 HE3 LYS 83 2HE LYS 83 7.555 -13.941 -0.611 649 HZ1 LYS 83 3HZ LYS 83 7.130 -13.324 -3.160 650 HZ2 LYS 83 1HZ LYS 83 6.653 -14.802 -2.475 651 HZ3 LYS 83 2HZ LYS 83 8.089 -14.707 -3.368 652 H ASP 84 H ASP 84 4.832 -8.950 -2.862 653 HA ASP 84 HA ASP 84 5.355 -9.818 -5.552 654 HB2 ASP 84 1HB ASP 84 2.928 -9.039 -4.023 655 HB3 ASP 84 2HB ASP 84 2.861 -8.840 -5.770 656 H GLY 85 H GLY 85 4.419 -6.720 -4.058 657 HA2 GLY 85 2HA GLY 85 6.176 -5.121 -5.272 658 HA3 GLY 85 1HA GLY 85 4.981 -5.313 -6.541 659 H CYS 86 H CYS 86 4.327 -3.287 -6.628 660 HA CYS 86 HA CYS 86 3.778 -1.565 -4.469 661 HB2 CYS 86 1HB CYS 86 4.401 -0.828 -6.708 662 HB3 CYS 86 2HB CYS 86 2.921 -1.507 -7.365 663 HA PRO 87 HA PRO 87 -0.237 -3.275 -3.587 664 HB2 PRO 87 1HB PRO 87 -0.625 -2.126 -1.219 665 HB3 PRO 87 2HB PRO 87 0.663 -3.315 -1.458 666 HG2 PRO 87 1HG PRO 87 0.837 -0.328 -1.369 667 HG3 PRO 87 2HG PRO 87 1.906 -1.531 -0.627 668 HD2 PRO 87 1HD PRO 87 2.419 -0.245 -3.013 669 HD3 PRO 87 2HD PRO 87 3.116 -1.805 -2.540 670 H ARG 88 H ARG 88 -0.077 -0.603 -5.187 671 HA ARG 88 HA ARG 88 -2.416 0.797 -4.202 672 HB2 ARG 88 1HB ARG 88 -0.546 1.192 -6.477 673 HB3 ARG 88 2HB ARG 88 -2.179 1.819 -6.663 674 HG2 ARG 88 1HG ARG 88 -1.787 2.924 -4.377 675 HG3 ARG 88 2HG ARG 88 -0.081 2.587 -4.676 676 HD2 ARG 88 1HD ARG 88 -0.254 3.809 -6.816 677 HD3 ARG 88 2HD ARG 88 -1.927 4.205 -6.427 678 HE ARG 88 HE ARG 88 -0.367 5.058 -4.295 679 HH11 ARG 88 2HH1 ARG 88 -0.839 5.830 -7.683 680 HH12 ARG 88 1HH1 ARG 88 -0.274 7.466 -7.506 681 HH21 ARG 88 2HH2 ARG 88 0.355 7.221 -4.080 682 HH22 ARG 88 1HH2 ARG 88 0.377 8.253 -5.475 683 H ILE 89 H ILE 89 -4.468 0.729 -5.019 684 HA ILE 89 HA ILE 89 -5.050 -1.464 -6.898 685 HB ILE 89 HB ILE 89 -6.898 0.054 -5.044 686 HG12 ILE 89 1HG1 ILE 89 -5.452 -1.624 -3.945 687 HG13 ILE 89 2HG1 ILE 89 -7.150 -2.085 -3.893 688 HG21 ILE 89 1HG2 ILE 89 -7.443 -1.805 -7.300 689 HG22 ILE 89 2HG2 ILE 89 -8.459 -1.912 -5.860 690 HG23 ILE 89 3HG2 ILE 89 -8.346 -0.394 -6.749 691 HD11 ILE 89 3HD1 ILE 89 -6.843 -3.732 -5.560 692 HD12 ILE 89 1HD1 ILE 89 -5.232 -3.135 -5.951 693 HD13 ILE 89 2HD1 ILE 89 -5.527 -3.927 -4.403 694 H LEU 90 H LEU 90 -4.830 -0.674 -8.903 695 HA LEU 90 HA LEU 90 -6.364 1.740 -9.614 696 HB2 LEU 90 1HB LEU 90 -4.555 2.335 -11.188 697 HB3 LEU 90 2HB LEU 90 -4.049 2.381 -9.512 698 HG LEU 90 HG LEU 90 -3.518 -0.091 -11.113 699 HD11 LEU 90 1HD1 LEU 90 -2.765 2.069 -12.339 700 HD12 LEU 90 2HD1 LEU 90 -1.553 2.165 -11.063 701 HD13 LEU 90 3HD1 LEU 90 -1.606 0.756 -12.122 702 HD21 LEU 90 3HD2 LEU 90 -2.839 0.993 -8.553 703 HD22 LEU 90 1HD2 LEU 90 -2.548 -0.620 -9.203 704 HD23 LEU 90 2HD2 LEU 90 -1.378 0.671 -9.488 705 H ASN 91 H ASN 91 -5.854 -1.489 -10.162 706 HA ASN 91 HA ASN 91 -6.558 -2.991 -11.696 707 HB2 ASN 91 1HB ASN 91 -7.919 -0.769 -13.224 708 HB3 ASN 91 2HB ASN 91 -8.232 -2.483 -13.336 709 HD21 ASN 91 1HD2 ASN 91 -7.859 -1.969 -10.126 710 HD22 ASN 91 2HD2 ASN 91 -9.502 -1.642 -9.686 711 H LEU 92 H LEU 92 -6.869 -1.619 -14.615 712 HA LEU 92 HA LEU 92 -4.085 -1.076 -15.087 713 HB2 LEU 92 1HB LEU 92 -3.808 -2.743 -16.867 714 HB3 LEU 92 2HB LEU 92 -4.008 -3.456 -15.289 715 HG LEU 92 HG LEU 92 -5.116 -4.837 -16.880 716 HD11 LEU 92 1HD1 LEU 92 -6.286 -4.273 -14.668 717 HD12 LEU 92 2HD1 LEU 92 -7.434 -3.396 -15.677 718 HD13 LEU 92 3HD1 LEU 92 -7.189 -5.127 -15.921 719 HD21 LEU 92 3HD2 LEU 92 -6.260 -4.196 -18.669 720 HD22 LEU 92 1HD2 LEU 92 -7.168 -2.973 -17.777 721 HD23 LEU 92 2HD2 LEU 92 -5.545 -2.613 -18.366 722 H GLY 93 H GLY 93 -3.692 0.211 -16.803 723 HA2 GLY 93 2HA GLY 93 -6.034 1.459 -18.000 724 HA3 GLY 93 1HA GLY 93 -4.371 2.014 -18.128 725 H SER 94 H SER 94 -5.853 -1.092 -18.884 726 HA SER 94 HA SER 94 -5.845 -2.413 -20.716 727 HB2 SER 94 1HB SER 94 -5.689 0.183 -22.274 728 HB3 SER 94 2HB SER 94 -6.265 -1.373 -22.873 729 HG SER 94 HG SER 94 -7.471 0.368 -20.988 730 H ASN 95 H ASN 95 -3.362 -2.097 -19.506 731 HA ASN 95 HA ASN 95 -1.701 -3.057 -21.581 732 HB2 ASN 95 1HB ASN 95 0.066 -1.394 -21.600 733 HB3 ASN 95 2HB ASN 95 -1.454 -0.634 -22.052 734 HD21 ASN 95 1HD2 ASN 95 1.237 0.055 -20.575 735 HD22 ASN 95 2HD2 ASN 95 0.684 1.091 -19.302 736 H ARG 96 H ARG 96 -1.486 -1.481 -18.407 737 HA ARG 96 HA ARG 96 -0.564 -1.983 -16.453 738 HB2 ARG 96 1HB ARG 96 -0.813 -4.172 -15.520 739 HB3 ARG 96 2HB ARG 96 -2.236 -3.736 -16.443 740 HG2 ARG 96 1HG ARG 96 -2.010 -5.885 -17.086 741 HG3 ARG 96 2HG ARG 96 -1.006 -5.122 -18.318 742 HD2 ARG 96 1HD ARG 96 0.989 -5.634 -17.078 743 HD3 ARG 96 2HD ARG 96 0.039 -6.265 -15.734 744 HE ARG 96 HE ARG 96 -0.617 -7.664 -18.096 745 HH11 ARG 96 2HH1 ARG 96 2.015 -7.331 -15.795 746 HH12 ARG 96 1HH1 ARG 96 2.613 -8.941 -16.067 747 HH21 ARG 96 2HH2 ARG 96 0.161 -9.779 -18.438 748 HH22 ARG 96 1HH2 ARG 96 1.520 -10.357 -17.509 749 H LEU 97 H LEU 97 1.007 -3.859 -19.006 750 HA LEU 97 HA LEU 97 3.393 -4.347 -17.532 751 HB2 LEU 97 1HB LEU 97 2.743 -4.320 -20.469 752 HB3 LEU 97 2HB LEU 97 4.374 -4.599 -19.893 753 HG LEU 97 HG LEU 97 2.010 -6.298 -19.105 754 HD11 LEU 97 1HD1 LEU 97 3.781 -7.745 -20.719 755 HD12 LEU 97 2HD1 LEU 97 2.133 -7.248 -21.107 756 HD13 LEU 97 3HD1 LEU 97 3.495 -6.220 -21.557 757 HD21 LEU 97 3HD2 LEU 97 3.400 -7.371 -17.738 758 HD22 LEU 97 1HD2 LEU 97 4.643 -7.488 -18.983 759 HD23 LEU 97 2HD2 LEU 97 4.537 -6.045 -17.975 760 H ASP 98 H ASP 98 5.076 -3.058 -17.130 761 HA ASP 98 HA ASP 98 4.926 -0.283 -17.855 762 HB2 ASP 98 1HB ASP 98 6.918 -1.862 -16.236 763 HB3 ASP 98 2HB ASP 98 7.131 -0.149 -16.593 764 H ARG 99 H ARG 99 5.200 -1.910 -20.114 765 HA ARG 99 HA ARG 99 7.923 -1.592 -21.068 766 HB2 ARG 99 1HB ARG 99 5.405 -2.488 -22.496 767 HB3 ARG 99 2HB ARG 99 7.015 -2.474 -23.206 768 HG2 ARG 99 1HG ARG 99 7.778 -4.102 -21.586 769 HG3 ARG 99 2HG ARG 99 6.205 -4.075 -20.790 770 HD2 ARG 99 1HD ARG 99 5.169 -4.916 -22.858 771 HD3 ARG 99 2HD ARG 99 6.764 -4.986 -23.610 772 HE ARG 99 HE ARG 99 6.897 -6.441 -21.242 773 HH11 ARG 99 2HH1 ARG 99 5.253 -6.629 -24.332 774 HH12 ARG 99 1HH1 ARG 99 5.092 -8.362 -24.288 775 HH21 ARG 99 2HH2 ARG 99 6.726 -8.705 -21.189 776 HH22 ARG 99 1HH2 ARG 99 5.938 -9.547 -22.496 777 H HIS 100 H HIS 100 7.351 0.765 -20.272 778 HA HIS 100 HA HIS 100 5.808 2.402 -22.013 779 HB2 HIS 100 1HB HIS 100 7.688 2.929 -19.742 780 HB3 HIS 100 2HB HIS 100 7.140 4.264 -20.747 781 HD1 HIS 100 HD1 HIS 100 6.268 4.638 -18.023 782 HD2 HIS 100 HD2 HIS 100 4.136 2.136 -20.572 783 HE1 HIS 100 HE1 HIS 100 3.948 4.508 -17.064 784 HE2 HIS 100 HE2 HIS 100 2.695 2.920 -18.567 785 H PHE 101 H PHE 101 7.846 0.883 -23.367 786 HA PHE 101 HA PHE 101 9.555 2.989 -24.492 787 HB2 PHE 101 1HB PHE 101 9.558 0.012 -25.074 788 HB3 PHE 101 2HB PHE 101 10.716 1.191 -25.676 789 HD1 PHE 101 HD2 PHE 101 9.415 -0.230 -22.480 790 HD2 PHE 101 HD1 PHE 101 12.698 1.512 -24.554 791 HE1 PHE 101 HE2 PHE 101 10.864 -0.664 -20.543 792 HE2 PHE 101 HE1 PHE 101 14.153 1.067 -22.623 793 HZ PHE 101 HZ PHE 101 13.238 -0.017 -20.614 794 H GLU 102 H GLU 102 7.054 3.508 -24.901 795 HA GLU 102 HA GLU 102 5.632 2.112 -26.830 796 HB2 GLU 102 1HB GLU 102 5.425 5.055 -26.167 797 HB3 GLU 102 2HB GLU 102 4.188 4.080 -26.951 798 HG2 GLU 102 1HG GLU 102 3.943 2.739 -24.942 799 HG3 GLU 102 2HG GLU 102 5.215 3.668 -24.150 800 H LYS 103 H LYS 103 7.682 4.977 -27.172 801 HA LYS 103 HA LYS 103 7.243 5.121 -30.008 802 HB2 LYS 103 1HB LYS 103 9.346 6.539 -28.371 803 HB3 LYS 103 2HB LYS 103 8.773 6.986 -29.971 804 HG2 LYS 103 1HG LYS 103 6.524 7.386 -28.985 805 HG3 LYS 103 2HG LYS 103 7.227 7.092 -27.394 806 HD2 LYS 103 1HD LYS 103 8.850 8.933 -27.859 807 HD3 LYS 103 2HD LYS 103 7.945 9.284 -29.333 808 HE2 LYS 103 1HE LYS 103 7.189 10.778 -27.622 809 HE3 LYS 103 2HE LYS 103 5.912 9.601 -27.931 810 HZ1 LYS 103 3HZ LYS 103 6.595 10.183 -25.508 811 HZ2 LYS 103 1HZ LYS 103 7.857 9.083 -25.786 812 HZ3 LYS 103 2HZ LYS 103 6.242 8.576 -25.917 813 H LYS 104 H LYS 104 8.294 4.094 -31.534 814 HA LYS 104 HA LYS 104 9.785 2.821 -32.654 815 HB2 LYS 104 1HB LYS 104 11.710 4.400 -30.944 816 HB3 LYS 104 2HB LYS 104 12.166 3.461 -32.360 817 HG2 LYS 104 1HG LYS 104 10.818 4.879 -33.779 818 HG3 LYS 104 2HG LYS 104 10.238 5.775 -32.373 819 HD2 LYS 104 1HD LYS 104 12.534 6.500 -31.902 820 HD3 LYS 104 2HD LYS 104 13.098 5.623 -33.326 821 HE2 LYS 104 1HE LYS 104 12.840 7.994 -33.814 822 HE3 LYS 104 2HE LYS 104 11.696 7.033 -34.750 823 HZ1 LYS 104 3HZ LYS 104 9.960 7.613 -33.200 824 HZ2 LYS 104 1HZ LYS 104 10.677 9.024 -33.802 825 HZ3 LYS 104 2HZ LYS 104 11.049 8.483 -32.235 826 H LYS 105 H LYS 105 8.653 1.341 -30.743 827 HA LYS 105 HA LYS 105 8.803 -0.642 -29.666 828 HB2 LYS 105 1HB LYS 105 11.373 -0.760 -31.242 829 HB3 LYS 105 2HB LYS 105 10.676 -2.131 -30.388 830 HG2 LYS 105 1HG LYS 105 8.681 -1.993 -31.778 831 HG3 LYS 105 2HG LYS 105 9.359 -0.601 -32.625 832 HD2 LYS 105 1HD LYS 105 10.571 -3.365 -32.555 833 HD3 LYS 105 2HD LYS 105 9.631 -2.697 -33.891 834 HE2 LYS 105 1HE LYS 105 11.319 -0.853 -34.033 835 HE3 LYS 105 2HE LYS 105 12.292 -1.735 -32.853 836 HZ1 LYS 105 3HZ LYS 105 11.843 -3.646 -34.650 837 HZ2 LYS 105 1HZ LYS 105 13.187 -2.611 -34.705 838 HZ3 LYS 105 2HZ LYS 105 11.830 -2.287 -35.668 839 H LYS 106 H LYS 106 10.600 -2.172 -28.486 840 HA LYS 106 HA LYS 106 11.452 -0.569 -26.221 841 HB2 LYS 106 1HB LYS 106 11.300 -3.530 -26.744 842 HB3 LYS 106 2HB LYS 106 12.202 -2.905 -25.373 843 HG2 LYS 106 1HG LYS 106 10.066 -3.498 -24.570 844 HG3 LYS 106 2HG LYS 106 10.101 -1.738 -24.647 845 HD2 LYS 106 1HD LYS 106 7.985 -2.483 -25.486 846 HD3 LYS 106 2HD LYS 106 8.932 -1.884 -26.851 847 HE2 LYS 106 1HE LYS 106 9.548 -4.178 -27.428 848 HE3 LYS 106 2HE LYS 106 8.614 -4.779 -26.057 849 HZ1 LYS 106 3HZ LYS 106 6.648 -3.655 -27.134 850 HZ2 LYS 106 1HZ LYS 106 7.252 -5.020 -27.938 851 HZ3 LYS 106 2HZ LYS 106 7.605 -3.467 -28.520 852 H VAL 107 H VAL 107 13.515 -0.046 -25.732 853 HA VAL 107 HA VAL 107 15.687 -1.235 -27.296 854 HB VAL 107 HB VAL 107 16.695 1.024 -27.616 855 HG11 VAL 107 1HG1 VAL 107 15.875 0.607 -29.646 856 HG12 VAL 107 2HG1 VAL 107 14.376 -0.053 -28.996 857 HG13 VAL 107 3HG1 VAL 107 14.550 1.687 -29.213 858 HG21 VAL 107 3HG2 VAL 107 13.969 2.114 -26.944 859 HG22 VAL 107 1HG2 VAL 107 15.310 2.096 -25.799 860 HG23 VAL 107 2HG2 VAL 107 15.445 3.014 -27.297 Start of MODEL 15 1 H1 GLY -1 1H GLY -1 -3.190 -12.748 -22.217 2 H2 GLY -1 2H GLY -1 -3.011 -14.419 -21.993 3 H3 GLY -1 3H GLY -1 -1.861 -13.556 -22.892 4 HA2 GLY -1 1HA GLY -1 -1.156 -14.156 -20.591 5 HA3 GLY -1 2HA GLY -1 -1.038 -12.449 -21.002 6 H GLY 0 H GLY 0 -1.251 -11.665 -18.920 7 HA2 GLY 0 2HA GLY 0 -2.411 -10.881 -17.096 8 HA3 GLY 0 1HA GLY 0 -3.887 -11.282 -17.963 9 H SER 1 H SER 1 -5.134 -12.708 -17.016 10 HA SER 1 HA SER 1 -4.064 -15.115 -15.875 11 HB2 SER 1 1HB SER 1 -3.913 -13.420 -13.989 12 HB3 SER 1 2HB SER 1 -5.669 -13.293 -14.054 13 HG SER 1 HG SER 1 -4.046 -15.373 -13.130 14 H SER 2 H SER 2 -6.639 -15.388 -14.323 15 HA SER 2 HA SER 2 -8.710 -15.215 -16.332 16 HB2 SER 2 1HB SER 2 -7.810 -17.912 -15.272 17 HB3 SER 2 2HB SER 2 -9.224 -17.629 -16.286 18 HG SER 2 HG SER 2 -7.187 -16.516 -17.521 19 H ARG 3 H ARG 3 -10.835 -15.780 -15.404 20 HA ARG 3 HA ARG 3 -11.060 -14.653 -12.848 21 HB2 ARG 3 1HB ARG 3 -13.465 -15.343 -12.965 22 HB3 ARG 3 2HB ARG 3 -12.893 -14.398 -14.330 23 HG2 ARG 3 1HG ARG 3 -12.649 -16.532 -15.604 24 HG3 ARG 3 2HG ARG 3 -13.429 -17.359 -14.252 25 HD2 ARG 3 1HD ARG 3 -15.393 -15.939 -14.506 26 HD3 ARG 3 2HD ARG 3 -14.616 -15.079 -15.831 27 HE ARG 3 HE ARG 3 -15.177 -16.787 -17.236 28 HH11 ARG 3 2HH1 ARG 3 -15.657 -17.843 -13.928 29 HH12 ARG 3 1HH1 ARG 3 -16.336 -19.381 -14.382 30 HH21 ARG 3 2HH2 ARG 3 -16.073 -18.786 -17.842 31 HH22 ARG 3 1HH2 ARG 3 -16.544 -19.932 -16.617 32 H HIS 4 H HIS 4 -10.230 -15.510 -11.186 33 HA HIS 4 HA HIS 4 -11.200 -17.783 -9.850 34 HB2 HIS 4 1HB HIS 4 -9.074 -18.305 -11.753 35 HB3 HIS 4 2HB HIS 4 -8.510 -18.602 -10.110 36 HD1 HIS 4 HD1 HIS 4 -10.719 -19.991 -8.744 37 HD2 HIS 4 HD2 HIS 4 -9.889 -20.660 -12.767 38 HE1 HIS 4 HE1 HIS 4 -11.706 -22.242 -9.280 39 HE2 HIS 4 HE2 HIS 4 -10.992 -22.716 -11.648 40 H GLN 5 H GLN 5 -8.526 -15.659 -10.520 41 HA GLN 5 HA GLN 5 -7.585 -15.275 -7.853 42 HB2 GLN 5 1HB GLN 5 -6.309 -14.627 -9.905 43 HB3 GLN 5 2HB GLN 5 -7.532 -13.411 -10.238 44 HG2 GLN 5 1HG GLN 5 -5.548 -12.419 -9.284 45 HG3 GLN 5 2HG GLN 5 -6.946 -12.213 -8.229 46 HE21 GLN 5 1HE2 GLN 5 -3.752 -12.951 -8.293 47 HE22 GLN 5 2HE2 GLN 5 -3.621 -13.810 -6.794 48 H PHE 6 H PHE 6 -7.996 -13.247 -6.619 49 HA PHE 6 HA PHE 6 -10.796 -12.612 -6.538 50 HB2 PHE 6 1HB PHE 6 -8.566 -11.142 -5.126 51 HB3 PHE 6 2HB PHE 6 -10.268 -11.177 -4.690 52 HD1 PHE 6 HD1 PHE 6 -11.246 -13.198 -3.683 53 HD2 PHE 6 HD2 PHE 6 -7.076 -12.866 -4.462 54 HE1 PHE 6 HE1 PHE 6 -10.810 -15.059 -2.134 55 HE2 PHE 6 HE2 PHE 6 -6.634 -14.730 -2.919 56 HZ PHE 6 HZ PHE 6 -8.504 -15.829 -1.752 57 H ASP 7 H ASP 7 -9.765 -9.670 -5.905 58 HA ASP 7 HA ASP 7 -9.653 -8.806 -8.712 59 HB2 ASP 7 1HB ASP 7 -11.503 -7.773 -6.572 60 HB3 ASP 7 2HB ASP 7 -11.140 -6.857 -8.032 61 H LEU 8 H LEU 8 -7.463 -8.998 -6.908 62 HA LEU 8 HA LEU 8 -6.881 -6.222 -6.286 63 HB2 LEU 8 1HB LEU 8 -4.568 -7.507 -5.752 64 HB3 LEU 8 2HB LEU 8 -5.862 -7.244 -4.605 65 HG LEU 8 HG LEU 8 -4.893 -9.543 -4.624 66 HD11 LEU 8 1HD1 LEU 8 -7.723 -8.875 -4.787 67 HD12 LEU 8 2HD1 LEU 8 -7.328 -10.588 -4.946 68 HD13 LEU 8 3HD1 LEU 8 -6.814 -9.693 -3.514 69 HD21 LEU 8 3HD2 LEU 8 -6.359 -10.715 -6.703 70 HD22 LEU 8 1HD2 LEU 8 -5.433 -9.384 -7.402 71 HD23 LEU 8 2HD2 LEU 8 -4.607 -10.655 -6.500 72 H ILE 9 H ILE 9 -7.274 -6.182 -8.805 73 HA ILE 9 HA ILE 9 -4.889 -6.693 -10.354 74 HB ILE 9 HB ILE 9 -7.550 -5.426 -11.000 75 HG12 ILE 9 1HG1 ILE 9 -7.662 -7.227 -12.680 76 HG13 ILE 9 2HG1 ILE 9 -6.067 -7.785 -12.189 77 HG21 ILE 9 1HG2 ILE 9 -6.679 -4.191 -12.615 78 HG22 ILE 9 2HG2 ILE 9 -5.060 -4.763 -12.220 79 HG23 ILE 9 3HG2 ILE 9 -6.052 -5.653 -13.375 80 HD11 ILE 9 3HD1 ILE 9 -8.662 -7.971 -10.719 81 HD12 ILE 9 1HD1 ILE 9 -7.514 -9.246 -11.132 82 HD13 ILE 9 2HD1 ILE 9 -7.119 -8.080 -9.867 83 H MET 10 H MET 10 -3.535 -5.606 -8.991 84 HA MET 10 HA MET 10 -3.894 -2.724 -8.714 85 HB2 MET 10 1HB MET 10 -2.292 -2.974 -6.805 86 HB3 MET 10 2HB MET 10 -3.793 -3.861 -6.615 87 HG2 MET 10 1HG MET 10 -2.173 -5.720 -7.770 88 HG3 MET 10 2HG MET 10 -1.049 -4.799 -6.784 89 HE1 MET 10 3HE MET 10 -2.862 -3.725 -4.681 90 HE2 MET 10 1HE MET 10 -3.375 -4.888 -3.457 91 HE3 MET 10 2HE MET 10 -1.658 -4.615 -3.750 92 H CYS 11 H CYS 11 -1.850 -1.478 -8.397 93 HA CYS 11 HA CYS 11 -0.571 -1.214 -10.800 94 HB2 CYS 11 1HB CYS 11 -0.736 0.412 -8.827 95 HB3 CYS 11 2HB CYS 11 0.679 -0.402 -8.178 96 H LEU 12 H LEU 12 0.783 -2.653 -7.857 97 HA LEU 12 HA LEU 12 2.674 -3.862 -7.487 98 HB2 LEU 12 1HB LEU 12 0.635 -5.179 -8.945 99 HB3 LEU 12 2HB LEU 12 2.185 -5.860 -9.414 100 HG LEU 12 HG LEU 12 2.705 -6.403 -7.148 101 HD11 LEU 12 1HD1 LEU 12 0.889 -4.353 -6.520 102 HD12 LEU 12 2HD1 LEU 12 0.297 -5.842 -5.776 103 HD13 LEU 12 3HD1 LEU 12 1.929 -5.270 -5.434 104 HD21 LEU 12 3HD2 LEU 12 -0.152 -7.173 -7.646 105 HD22 LEU 12 1HD2 LEU 12 1.234 -7.929 -8.434 106 HD23 LEU 12 2HD2 LEU 12 1.039 -8.051 -6.685 107 H LYS 13 H LYS 13 3.704 -1.885 -8.944 108 HA LYS 13 HA LYS 13 5.430 -3.168 -10.937 109 HB2 LYS 13 1HB LYS 13 5.380 -0.292 -10.027 110 HB3 LYS 13 2HB LYS 13 6.362 -0.949 -11.325 111 HG2 LYS 13 1HG LYS 13 4.282 -1.522 -12.535 112 HG3 LYS 13 2HG LYS 13 3.374 -0.684 -11.273 113 HD2 LYS 13 1HD LYS 13 4.896 1.298 -11.736 114 HD3 LYS 13 2HD LYS 13 5.345 0.444 -13.215 115 HE2 LYS 13 1HE LYS 13 2.535 1.144 -12.418 116 HE3 LYS 13 2HE LYS 13 3.541 2.067 -13.517 117 HZ1 LYS 13 3HZ LYS 13 2.350 -0.589 -13.908 118 HZ2 LYS 13 1HZ LYS 13 3.730 -0.142 -14.788 119 HZ3 LYS 13 2HZ LYS 13 2.300 0.756 -14.931 120 H GLN 14 H GLN 14 7.585 -1.273 -10.213 121 HA GLN 14 HA GLN 14 8.635 -2.836 -7.950 122 HB2 GLN 14 1HB GLN 14 9.961 -2.904 -9.997 123 HB3 GLN 14 2HB GLN 14 10.053 -1.148 -10.017 124 HG2 GLN 14 1HG GLN 14 12.108 -1.986 -9.205 125 HG3 GLN 14 2HG GLN 14 11.250 -1.244 -7.859 126 HE21 GLN 14 1HE2 GLN 14 9.894 -4.210 -8.734 127 HE22 GLN 14 2HE2 GLN 14 10.629 -5.180 -7.500 128 HA PRO 15 HA PRO 15 7.768 0.629 -5.294 129 HB2 PRO 15 1HB PRO 15 9.953 -0.652 -3.722 130 HB3 PRO 15 2HB PRO 15 8.345 -0.136 -3.200 131 HG2 PRO 15 1HG PRO 15 8.856 -2.709 -3.590 132 HG3 PRO 15 2HG PRO 15 7.308 -2.011 -4.105 133 HD2 PRO 15 1HD PRO 15 9.688 -2.762 -5.746 134 HD3 PRO 15 2HD PRO 15 7.961 -2.916 -6.128 135 H GLY 16 H GLY 16 8.541 2.632 -5.263 136 HA2 GLY 16 2HA GLY 16 11.131 3.156 -6.442 137 HA3 GLY 16 1HA GLY 16 9.930 4.351 -5.970 138 H VAL 17 H VAL 17 9.587 4.340 -3.450 139 HA VAL 17 HA VAL 17 11.664 3.601 -1.757 140 HB VAL 17 HB VAL 17 13.066 5.193 -2.927 141 HG11 VAL 17 1HG1 VAL 17 10.916 7.197 -2.288 142 HG12 VAL 17 2HG1 VAL 17 12.548 7.646 -2.782 143 HG13 VAL 17 3HG1 VAL 17 11.520 6.720 -3.875 144 HG21 VAL 17 3HG2 VAL 17 12.916 6.892 -0.656 145 HG22 VAL 17 1HG2 VAL 17 12.544 5.247 -0.141 146 HG23 VAL 17 2HG2 VAL 17 14.056 5.587 -0.985 147 H GLN 18 H GLN 18 9.272 6.188 -2.333 148 HA GLN 18 HA GLN 18 8.869 6.672 0.417 149 HB2 GLN 18 1HB GLN 18 6.979 8.035 -0.230 150 HB3 GLN 18 2HB GLN 18 8.368 8.367 -1.251 151 HG2 GLN 18 1HG GLN 18 7.409 7.248 -3.077 152 HG3 GLN 18 2HG GLN 18 6.134 6.551 -2.071 153 HE21 GLN 18 1HE2 GLN 18 7.359 9.466 -3.522 154 HE22 GLN 18 2HE2 GLN 18 5.898 10.379 -3.392 155 H THR 19 H THR 19 7.214 6.145 1.787 156 HA THR 19 HA THR 19 6.165 3.495 1.433 157 HB THR 19 HB THR 19 5.700 5.446 3.700 158 HG1 THR 19 HG1 THR 19 7.975 4.837 3.170 159 HG21 THR 19 1HG2 THR 19 4.200 3.394 3.474 160 HG22 THR 19 2HG2 THR 19 5.045 3.601 5.008 161 HG23 THR 19 3HG2 THR 19 5.643 2.441 3.822 162 H GLY 20 H GLY 20 4.065 2.888 1.132 163 HA2 GLY 20 2HA GLY 20 2.330 4.769 -0.146 164 HA3 GLY 20 1HA GLY 20 1.970 3.085 0.192 165 H LEU 21 H LEU 21 0.744 5.948 0.667 166 HA LEU 21 HA LEU 21 0.130 5.636 3.507 167 HB2 LEU 21 1HB LEU 21 -0.325 7.935 1.616 168 HB3 LEU 21 2HB LEU 21 -0.862 7.915 3.284 169 HG LEU 21 HG LEU 21 2.019 7.751 2.384 170 HD11 LEU 21 1HD1 LEU 21 0.267 10.007 3.236 171 HD12 LEU 21 2HD1 LEU 21 1.988 10.038 3.620 172 HD13 LEU 21 3HD1 LEU 21 1.462 9.935 1.940 173 HD21 LEU 21 3HD2 LEU 21 1.256 6.663 4.613 174 HD22 LEU 21 1HD2 LEU 21 2.654 7.736 4.610 175 HD23 LEU 21 2HD2 LEU 21 1.092 8.329 5.168 176 H LEU 22 H LEU 22 -1.882 5.409 4.299 177 HA LEU 22 HA LEU 22 -4.025 4.757 2.386 178 HB2 LEU 22 1HB LEU 22 -3.715 3.995 5.294 179 HB3 LEU 22 2HB LEU 22 -5.058 3.535 4.267 180 HG LEU 22 HG LEU 22 -2.194 2.648 4.005 181 HD11 LEU 22 1HD1 LEU 22 -4.718 1.388 4.988 182 HD12 LEU 22 2HD1 LEU 22 -3.454 0.391 4.270 183 HD13 LEU 22 3HD1 LEU 22 -3.103 1.366 5.698 184 HD21 LEU 22 3HD2 LEU 22 -4.519 1.766 2.322 185 HD22 LEU 22 1HD2 LEU 22 -3.412 3.047 1.829 186 HD23 LEU 22 2HD2 LEU 22 -2.809 1.410 2.091 187 H CYS 23 H CYS 23 -5.876 5.908 2.436 188 HA CYS 23 HA CYS 23 -6.074 8.244 4.105 189 HB2 CYS 23 1HB CYS 23 -7.992 8.807 2.891 190 HB3 CYS 23 2HB CYS 23 -7.037 7.933 1.703 191 H GLU 24 H GLU 24 -7.681 8.531 5.755 192 HA GLU 24 HA GLU 24 -7.744 6.548 7.644 193 HB2 GLU 24 1HB GLU 24 -9.899 8.635 7.301 194 HB3 GLU 24 2HB GLU 24 -9.470 7.804 8.789 195 HG2 GLU 24 1HG GLU 24 -7.241 8.850 8.693 196 HG3 GLU 24 2HG GLU 24 -7.750 9.744 7.261 197 H LYS 25 H LYS 25 -9.933 6.999 5.000 198 HA LYS 25 HA LYS 25 -12.017 5.323 5.898 199 HB2 LYS 25 1HB LYS 25 -11.288 6.101 3.076 200 HB3 LYS 25 2HB LYS 25 -12.858 5.525 3.633 201 HG2 LYS 25 1HG LYS 25 -13.262 7.487 4.862 202 HG3 LYS 25 2HG LYS 25 -11.580 8.000 4.747 203 HD2 LYS 25 1HD LYS 25 -11.862 8.287 2.319 204 HD3 LYS 25 2HD LYS 25 -13.563 7.843 2.482 205 HE2 LYS 25 1HE LYS 25 -12.235 10.183 3.844 206 HE3 LYS 25 2HE LYS 25 -13.218 10.284 2.386 207 HZ1 LYS 25 3HZ LYS 25 -14.194 9.273 5.006 208 HZ2 LYS 25 1HZ LYS 25 -15.120 9.528 3.606 209 HZ3 LYS 25 2HZ LYS 25 -14.441 10.846 4.424 210 H CYS 26 H CYS 26 -8.943 4.591 4.469 211 HA CYS 26 HA CYS 26 -9.809 1.781 4.134 212 HB2 CYS 26 1HB CYS 26 -7.426 3.045 2.762 213 HB3 CYS 26 2HB CYS 26 -8.092 1.445 2.479 214 H ASP 27 H ASP 27 -8.311 3.856 6.075 215 HA ASP 27 HA ASP 27 -5.775 2.983 6.573 216 HB2 ASP 27 1HB ASP 27 -6.763 5.021 7.534 217 HB3 ASP 27 2HB ASP 27 -7.754 4.036 8.603 218 H GLY 28 H GLY 28 -4.811 1.423 7.681 219 HA2 GLY 28 2HA GLY 28 -4.587 -0.197 9.356 220 HA3 GLY 28 1HA GLY 28 -6.333 -0.212 9.544 221 H LYS 29 H LYS 29 -6.703 -0.519 6.603 222 HA LYS 29 HA LYS 29 -6.716 -3.377 6.638 223 HB2 LYS 29 1HB LYS 29 -7.317 -1.499 4.350 224 HB3 LYS 29 2HB LYS 29 -7.693 -3.214 4.402 225 HG2 LYS 29 1HG LYS 29 -9.125 -2.707 6.418 226 HG3 LYS 29 2HG LYS 29 -8.912 -1.000 6.020 227 HD2 LYS 29 1HD LYS 29 -10.083 -3.116 4.222 228 HD3 LYS 29 2HD LYS 29 -10.981 -1.857 5.071 229 HE2 LYS 29 1HE LYS 29 -10.077 -0.156 3.745 230 HE3 LYS 29 2HE LYS 29 -8.769 -1.186 3.159 231 HZ1 LYS 29 3HZ LYS 29 -10.249 -2.399 1.819 232 HZ2 LYS 29 1HZ LYS 29 -10.632 -0.766 1.556 233 HZ3 LYS 29 2HZ LYS 29 -11.620 -1.712 2.556 234 H CYS 30 H CYS 30 -5.252 -4.733 5.898 235 HA CYS 30 HA CYS 30 -2.817 -3.918 4.637 236 HB2 CYS 30 1HB CYS 30 -2.668 -5.896 5.892 237 HB3 CYS 30 2HB CYS 30 -4.174 -6.528 5.244 238 HA PRO 31 HA PRO 31 -4.866 -3.118 0.759 239 HB2 PRO 31 1HB PRO 31 -2.482 -3.101 -0.713 240 HB3 PRO 31 2HB PRO 31 -3.258 -1.708 0.044 241 HG2 PRO 31 1HG PRO 31 -1.002 -3.391 1.028 242 HG3 PRO 31 2HG PRO 31 -1.274 -1.649 1.217 243 HD2 PRO 31 1HD PRO 31 -1.687 -3.343 3.242 244 HD3 PRO 31 2HD PRO 31 -2.758 -1.949 2.979 245 H ILE 32 H ILE 32 -2.551 -5.696 1.193 246 HA ILE 32 HA ILE 32 -2.890 -6.997 -1.270 247 HB ILE 32 HB ILE 32 -2.194 -8.275 1.376 248 HG12 ILE 32 1HG1 ILE 32 -0.780 -6.248 0.615 249 HG13 ILE 32 2HG1 ILE 32 0.063 -7.733 1.038 250 HG21 ILE 32 1HG2 ILE 32 -2.355 -9.239 -1.361 251 HG22 ILE 32 2HG2 ILE 32 -0.787 -9.543 -0.614 252 HG23 ILE 32 3HG2 ILE 32 -2.259 -10.135 0.154 253 HD11 ILE 32 3HD1 ILE 32 0.690 -8.153 -1.115 254 HD12 ILE 32 1HD1 ILE 32 -0.674 -7.269 -1.803 255 HD13 ILE 32 2HD1 ILE 32 0.689 -6.388 -1.111 256 H CYS 33 H CYS 33 -4.604 -7.405 1.837 257 HA CYS 33 HA CYS 33 -6.424 -9.260 0.444 258 HB2 CYS 33 1HB CYS 33 -6.522 -10.616 2.458 259 HB3 CYS 33 2HB CYS 33 -4.855 -10.437 1.919 260 H ASP 34 H ASP 34 -6.272 -6.419 2.281 261 HA ASP 34 HA ASP 34 -7.843 -5.041 3.162 262 HB2 ASP 34 1HB ASP 34 -9.614 -6.865 1.573 263 HB3 ASP 34 2HB ASP 34 -10.332 -5.704 2.682 264 H SER 35 H SER 35 -6.744 -6.430 4.981 265 HA SER 35 HA SER 35 -8.848 -7.146 6.844 266 HB2 SER 35 1HB SER 35 -8.436 -9.262 5.705 267 HB3 SER 35 2HB SER 35 -6.703 -9.101 5.969 268 HG SER 35 HG SER 35 -7.525 -10.474 7.514 269 H TYR 36 H TYR 36 -8.272 -6.854 8.957 270 HA TYR 36 HA TYR 36 -5.765 -5.433 9.423 271 HB2 TYR 36 1HB TYR 36 -8.151 -5.922 11.219 272 HB3 TYR 36 2HB TYR 36 -6.752 -4.958 11.662 273 HD1 TYR 36 HD1 TYR 36 -9.212 -5.114 8.831 274 HD2 TYR 36 HD2 TYR 36 -7.040 -2.700 11.574 275 HE1 TYR 36 HE1 TYR 36 -10.317 -3.111 7.935 276 HE2 TYR 36 HE2 TYR 36 -8.138 -0.691 10.687 277 HH TYR 36 HH TYR 36 -9.252 0.020 8.571 278 H VAL 37 H VAL 37 -5.579 -8.310 8.998 279 HA VAL 37 HA VAL 37 -5.364 -9.485 11.607 280 HB VAL 37 HB VAL 37 -6.154 -10.867 9.796 281 HG11 VAL 37 1HG1 VAL 37 -4.255 -11.679 8.179 282 HG12 VAL 37 2HG1 VAL 37 -5.206 -10.233 7.830 283 HG13 VAL 37 3HG1 VAL 37 -3.594 -10.081 8.531 284 HG21 VAL 37 3HG2 VAL 37 -5.353 -12.431 11.176 285 HG22 VAL 37 1HG2 VAL 37 -4.038 -12.599 10.014 286 HG23 VAL 37 2HG2 VAL 37 -3.839 -11.561 11.429 287 H ARG 38 H ARG 38 -3.884 -7.970 12.444 288 HA ARG 38 HA ARG 38 -1.875 -7.377 13.299 289 HB2 ARG 38 1HB ARG 38 -1.125 -10.111 12.267 290 HB3 ARG 38 2HB ARG 38 -0.104 -9.140 13.319 291 HG2 ARG 38 1HG ARG 38 -1.753 -9.226 15.074 292 HG3 ARG 38 2HG ARG 38 -2.880 -10.076 14.013 293 HD2 ARG 38 1HD ARG 38 -1.760 -11.610 15.561 294 HD3 ARG 38 2HD ARG 38 -1.368 -11.971 13.882 295 HE ARG 38 HE ARG 38 0.825 -11.585 14.368 296 HH11 ARG 38 2HH1 ARG 38 -1.105 -9.987 16.834 297 HH12 ARG 38 1HH1 ARG 38 0.276 -9.497 17.761 298 HH21 ARG 38 2HH2 ARG 38 2.618 -10.903 15.565 299 HH22 ARG 38 1HH2 ARG 38 2.393 -9.993 17.035 300 HA PRO 39 HA PRO 39 -0.070 -5.681 9.412 301 HB2 PRO 39 1HB PRO 39 0.679 -3.368 10.621 302 HB3 PRO 39 2HB PRO 39 -0.923 -3.609 9.912 303 HG2 PRO 39 1HG PRO 39 -0.072 -3.810 12.778 304 HG3 PRO 39 2HG PRO 39 -1.528 -3.063 12.095 305 HD2 PRO 39 1HD PRO 39 -1.570 -5.511 13.225 306 HD3 PRO 39 2HD PRO 39 -2.603 -5.095 11.841 307 H LYS 40 H LYS 40 2.111 -5.647 8.901 308 HA LYS 40 HA LYS 40 3.946 -6.186 11.142 309 HB2 LYS 40 1HB LYS 40 3.168 -8.238 9.963 310 HB3 LYS 40 2HB LYS 40 3.917 -7.631 8.494 311 HG2 LYS 40 1HG LYS 40 6.102 -7.710 9.550 312 HG3 LYS 40 2HG LYS 40 5.366 -8.254 11.061 313 HD2 LYS 40 1HD LYS 40 4.526 -10.261 9.883 314 HD3 LYS 40 2HD LYS 40 5.360 -9.723 8.424 315 HE2 LYS 40 1HE LYS 40 6.683 -10.327 11.064 316 HE3 LYS 40 2HE LYS 40 6.630 -11.423 9.685 317 HZ1 LYS 40 3HZ LYS 40 7.792 -8.705 9.469 318 HZ2 LYS 40 1HZ LYS 40 8.016 -10.038 8.442 319 HZ3 LYS 40 2HZ LYS 40 8.709 -10.033 9.988 320 H ARG 41 H ARG 41 3.923 -5.383 7.644 321 HA ARG 41 HA ARG 41 6.404 -3.850 8.117 322 HB2 ARG 41 1HB ARG 41 6.775 -6.086 7.060 323 HB3 ARG 41 2HB ARG 41 5.797 -5.555 5.699 324 HG2 ARG 41 1HG ARG 41 7.449 -3.665 5.415 325 HG3 ARG 41 2HG ARG 41 8.470 -4.511 6.582 326 HD2 ARG 41 1HD ARG 41 7.509 -5.532 3.916 327 HD3 ARG 41 2HD ARG 41 9.164 -5.122 4.366 328 HE ARG 41 HE ARG 41 8.453 -7.050 6.154 329 HH11 ARG 41 2HH1 ARG 41 8.567 -6.833 2.663 330 HH12 ARG 41 1HH1 ARG 41 8.756 -8.551 2.444 331 HH21 ARG 41 2HH2 ARG 41 8.749 -9.293 5.866 332 HH22 ARG 41 1HH2 ARG 41 8.883 -9.938 4.257 333 H LYS 42 H LYS 42 6.657 -1.938 7.022 334 HA LYS 42 HA LYS 42 4.342 -0.648 5.986 335 HB2 LYS 42 1HB LYS 42 7.249 0.089 6.094 336 HB3 LYS 42 2HB LYS 42 6.105 1.082 5.203 337 HG2 LYS 42 1HG LYS 42 4.760 1.141 7.379 338 HG3 LYS 42 2HG LYS 42 6.235 0.545 8.144 339 HD2 LYS 42 1HD LYS 42 7.464 2.464 7.441 340 HD3 LYS 42 2HD LYS 42 6.141 3.006 6.406 341 HE2 LYS 42 1HE LYS 42 4.744 3.187 8.496 342 HE3 LYS 42 2HE LYS 42 6.229 2.932 9.413 343 HZ1 LYS 42 3HZ LYS 42 5.499 5.214 7.680 344 HZ2 LYS 42 1HZ LYS 42 7.123 4.889 8.060 345 HZ3 LYS 42 2HZ LYS 42 6.014 5.227 9.299 346 H VAL 43 H VAL 43 3.638 -0.303 4.022 347 HA VAL 43 HA VAL 43 4.759 -1.849 1.851 348 HB VAL 43 HB VAL 43 2.322 -0.063 1.945 349 HG11 VAL 43 1HG1 VAL 43 2.153 -0.374 -0.224 350 HG12 VAL 43 2HG1 VAL 43 3.697 -1.225 -0.208 351 HG13 VAL 43 3HG1 VAL 43 2.197 -2.123 0.002 352 HG21 VAL 43 3HG2 VAL 43 2.672 -3.012 2.409 353 HG22 VAL 43 1HG2 VAL 43 1.907 -1.820 3.457 354 HG23 VAL 43 2HG2 VAL 43 1.123 -2.305 1.952 355 H ARG 44 H ARG 44 5.892 -1.022 0.154 356 HA ARG 44 HA ARG 44 6.243 1.905 0.062 357 HB2 ARG 44 1HB ARG 44 8.098 -0.269 -0.930 358 HB3 ARG 44 2HB ARG 44 8.402 1.460 -1.038 359 HG2 ARG 44 1HG ARG 44 8.741 1.678 1.247 360 HG3 ARG 44 2HG ARG 44 7.877 0.186 1.615 361 HD2 ARG 44 1HD ARG 44 10.156 -0.286 1.961 362 HD3 ARG 44 2HD ARG 44 9.735 -1.037 0.426 363 HE ARG 44 HE ARG 44 11.209 0.345 -0.628 364 HH11 ARG 44 2HH1 ARG 44 10.567 1.651 2.577 365 HH12 ARG 44 1HH1 ARG 44 11.852 2.819 2.483 366 HH21 ARG 44 2HH2 ARG 44 12.871 1.913 -0.742 367 HH22 ARG 44 1HH2 ARG 44 13.148 2.966 0.619 368 H VAL 45 H VAL 45 5.534 2.968 -1.679 369 HA VAL 45 HA VAL 45 4.110 1.525 -3.715 370 HB VAL 45 HB VAL 45 3.617 3.753 -4.686 371 HG11 VAL 45 1HG1 VAL 45 1.875 3.787 -3.330 372 HG12 VAL 45 2HG1 VAL 45 2.719 2.655 -2.272 373 HG13 VAL 45 3HG1 VAL 45 2.867 4.393 -2.003 374 HG21 VAL 45 3HG2 VAL 45 4.268 5.604 -2.819 375 HG22 VAL 45 1HG2 VAL 45 5.694 4.569 -2.772 376 HG23 VAL 45 2HG2 VAL 45 5.193 5.311 -4.292 377 H CYS 46 H CYS 46 4.439 1.737 -5.983 378 HA CYS 46 HA CYS 46 7.092 1.199 -6.716 379 HB2 CYS 46 1HB CYS 46 6.305 0.713 -8.841 380 HB3 CYS 46 2HB CYS 46 4.889 0.428 -7.837 381 H GLU 47 H GLU 47 8.231 2.214 -8.495 382 HA GLU 47 HA GLU 47 9.112 4.742 -7.848 383 HB2 GLU 47 1HB GLU 47 10.231 2.934 -9.226 384 HB3 GLU 47 2HB GLU 47 9.267 3.481 -10.588 385 HG2 GLU 47 1HG GLU 47 10.302 5.714 -10.361 386 HG3 GLU 47 2HG GLU 47 11.339 5.061 -9.092 387 H ASN 48 H ASN 48 6.994 3.805 -10.547 388 HA ASN 48 HA ASN 48 6.639 6.291 -11.696 389 HB2 ASN 48 1HB ASN 48 5.342 3.703 -11.827 390 HB3 ASN 48 2HB ASN 48 4.189 5.014 -12.043 391 HD21 ASN 48 1HD2 ASN 48 6.358 3.034 -13.559 392 HD22 ASN 48 2HD2 ASN 48 6.578 3.926 -15.025 393 H CYS 49 H CYS 49 4.680 4.819 -9.125 394 HA CYS 49 HA CYS 49 2.824 6.958 -9.048 395 HB2 CYS 49 1HB CYS 49 3.413 4.756 -7.079 396 HB3 CYS 49 2HB CYS 49 2.135 5.943 -6.836 397 H SER 50 H SER 50 5.953 6.559 -7.597 398 HA SER 50 HA SER 50 5.406 8.375 -5.449 399 HB2 SER 50 1HB SER 50 7.829 8.187 -4.937 400 HB3 SER 50 2HB SER 50 7.040 6.620 -5.083 401 HG SER 50 HG SER 50 7.833 6.865 -7.424 402 H PHE 51 H PHE 51 6.978 8.606 -8.612 403 HA PHE 51 HA PHE 51 7.519 11.416 -8.076 404 HB2 PHE 51 1HB PHE 51 8.847 11.392 -10.135 405 HB3 PHE 51 2HB PHE 51 9.378 10.181 -8.993 406 HD1 PHE 51 HD1 PHE 51 6.912 10.356 -11.817 407 HD2 PHE 51 HD2 PHE 51 10.099 8.257 -9.943 408 HE1 PHE 51 HE1 PHE 51 6.835 8.661 -13.593 409 HE2 PHE 51 HE2 PHE 51 10.028 6.560 -11.719 410 HZ PHE 51 HZ PHE 51 8.394 6.761 -13.545 411 H GLY 52 H GLY 52 5.346 9.448 -9.915 412 HA2 GLY 52 2HA GLY 52 4.663 11.514 -11.786 413 HA3 GLY 52 1HA GLY 52 3.887 9.948 -11.631 414 H LYS 53 H LYS 53 4.250 12.750 -9.479 415 HA LYS 53 HA LYS 53 2.819 13.886 -8.155 416 HB2 LYS 53 1HB LYS 53 0.969 14.932 -9.188 417 HB3 LYS 53 2HB LYS 53 2.174 14.717 -10.443 418 HG2 LYS 53 1HG LYS 53 0.936 12.806 -11.313 419 HG3 LYS 53 2HG LYS 53 -0.263 12.995 -10.032 420 HD2 LYS 53 1HD LYS 53 -0.816 15.224 -10.886 421 HD3 LYS 53 2HD LYS 53 0.382 15.028 -12.168 422 HE2 LYS 53 1HE LYS 53 -0.859 13.121 -13.043 423 HE3 LYS 53 2HE LYS 53 -2.045 13.286 -11.749 424 HZ1 LYS 53 3HZ LYS 53 -2.099 14.500 -14.227 425 HZ2 LYS 53 1HZ LYS 53 -1.720 15.744 -13.138 426 HZ3 LYS 53 2HZ LYS 53 -3.124 14.821 -12.913 427 H GLN 54 H GLN 54 0.398 13.994 -7.371 428 HA GLN 54 HA GLN 54 -0.983 13.071 -5.812 429 HB2 GLN 54 1HB GLN 54 -2.587 11.540 -6.753 430 HB3 GLN 54 2HB GLN 54 -2.133 12.716 -7.976 431 HG2 GLN 54 1HG GLN 54 -0.514 10.973 -8.848 432 HG3 GLN 54 2HG GLN 54 -1.336 9.829 -7.790 433 HE21 GLN 54 1HE2 GLN 54 -3.583 12.032 -8.716 434 HE22 GLN 54 2HE2 GLN 54 -4.236 11.217 -10.093 435 H ALA 55 H ALA 55 1.688 12.138 -5.459 436 HA ALA 55 HA ALA 55 1.795 9.338 -5.095 437 HB1 ALA 55 3HB ALA 55 3.478 11.320 -3.607 438 HB2 ALA 55 1HB ALA 55 3.901 9.689 -4.124 439 HB3 ALA 55 2HB ALA 55 3.728 10.975 -5.317 440 H LYS 56 H LYS 56 1.016 12.024 -2.972 441 HA LYS 56 HA LYS 56 0.943 10.563 -0.562 442 HB2 LYS 56 1HB LYS 56 0.567 13.235 -1.371 443 HB3 LYS 56 2HB LYS 56 -0.900 12.771 -0.526 444 HG2 LYS 56 1HG LYS 56 0.506 13.712 1.100 445 HG3 LYS 56 2HG LYS 56 0.584 11.969 1.354 446 HD2 LYS 56 1HD LYS 56 2.618 13.409 -0.326 447 HD3 LYS 56 2HD LYS 56 2.777 13.298 1.428 448 HE2 LYS 56 1HE LYS 56 2.686 10.842 1.252 449 HE3 LYS 56 2HE LYS 56 2.593 10.987 -0.504 450 HZ1 LYS 56 3HZ LYS 56 4.829 12.144 1.053 451 HZ2 LYS 56 1HZ LYS 56 4.756 11.833 -0.614 452 HZ3 LYS 56 2HZ LYS 56 4.856 10.545 0.486 453 H ASN 57 H ASN 57 -1.183 10.587 -3.210 454 HA ASN 57 HA ASN 57 -3.659 10.252 -1.938 455 HB2 ASN 57 1HB ASN 57 -2.665 9.346 -4.627 456 HB3 ASN 57 2HB ASN 57 -4.307 9.035 -4.089 457 HD21 ASN 57 1HD2 ASN 57 -3.029 11.920 -2.892 458 HD22 ASN 57 2HD2 ASN 57 -3.783 13.006 -4.006 459 H CYS 58 H CYS 58 -4.724 8.601 -1.148 460 HA CYS 58 HA CYS 58 -3.457 6.424 0.021 461 HB2 CYS 58 1HB CYS 58 -5.548 7.272 0.836 462 HB3 CYS 58 2HB CYS 58 -6.333 6.951 -0.704 463 H ILE 59 H ILE 59 -2.789 4.597 -0.721 464 HA ILE 59 HA ILE 59 -2.856 3.946 -3.441 465 HB ILE 59 HB ILE 59 -1.804 1.785 -2.690 466 HG12 ILE 59 1HG1 ILE 59 -2.317 3.056 0.006 467 HG13 ILE 59 2HG1 ILE 59 -2.755 1.440 -0.530 468 HG21 ILE 59 1HG2 ILE 59 -0.057 3.533 -1.325 469 HG22 ILE 59 2HG2 ILE 59 0.014 3.014 -3.009 470 HG23 ILE 59 3HG2 ILE 59 -0.870 4.475 -2.574 471 HD11 ILE 59 3HD1 ILE 59 -0.894 0.659 0.357 472 HD12 ILE 59 1HD1 ILE 59 0.055 1.673 -0.729 473 HD13 ILE 59 2HD1 ILE 59 -0.431 2.292 0.857 474 H ILE 60 H ILE 60 -4.832 2.778 -0.765 475 HA ILE 60 HA ILE 60 -5.806 0.522 -2.145 476 HB ILE 60 HB ILE 60 -6.859 1.926 0.306 477 HG12 ILE 60 1HG1 ILE 60 -5.315 -0.637 -0.157 478 HG13 ILE 60 2HG1 ILE 60 -4.710 0.834 0.597 479 HG21 ILE 60 1HG2 ILE 60 -8.715 0.790 -0.853 480 HG22 ILE 60 2HG2 ILE 60 -7.787 -0.710 -0.844 481 HG23 ILE 60 3HG2 ILE 60 -8.313 0.010 0.677 482 HD11 ILE 60 3HD1 ILE 60 -6.015 0.499 2.525 483 HD12 ILE 60 1HD1 ILE 60 -6.990 -0.745 1.741 484 HD13 ILE 60 2HD1 ILE 60 -5.302 -1.068 2.139 485 H CYS 61 H CYS 61 -7.139 3.845 -1.937 486 HA CYS 61 HA CYS 61 -9.278 2.874 -3.685 487 HB2 CYS 61 1HB CYS 61 -10.649 4.754 -2.868 488 HB3 CYS 61 2HB CYS 61 -10.176 3.665 -1.572 489 H ASN 62 H ASN 62 -6.452 4.387 -3.712 490 HA ASN 62 HA ASN 62 -5.404 6.033 -4.835 491 HB2 ASN 62 1HB ASN 62 -5.125 5.566 -7.143 492 HB3 ASN 62 2HB ASN 62 -5.240 4.065 -6.256 493 HD21 ASN 62 1HD2 ASN 62 -8.374 5.062 -6.531 494 HD22 ASN 62 2HD2 ASN 62 -8.768 4.282 -8.022 495 H LEU 63 H LEU 63 -7.028 7.596 -3.847 496 HA LEU 63 HA LEU 63 -7.183 9.597 -5.734 497 HB2 LEU 63 1HB LEU 63 -9.479 10.092 -5.888 498 HB3 LEU 63 2HB LEU 63 -9.163 8.511 -6.528 499 HG LEU 63 HG LEU 63 -11.105 8.078 -5.492 500 HD11 LEU 63 1HD1 LEU 63 -10.258 6.556 -4.176 501 HD12 LEU 63 2HD1 LEU 63 -8.983 7.634 -3.598 502 HD13 LEU 63 3HD1 LEU 63 -10.597 7.711 -2.885 503 HD21 LEU 63 3HD2 LEU 63 -10.505 10.582 -4.136 504 HD22 LEU 63 1HD2 LEU 63 -12.034 9.979 -4.785 505 HD23 LEU 63 2HD2 LEU 63 -11.484 9.458 -3.191 506 H ASN 64 H ASN 64 -8.935 8.812 -2.782 507 HA ASN 64 HA ASN 64 -8.671 11.326 -1.536 508 HB2 ASN 64 1HB ASN 64 -8.912 8.584 -0.259 509 HB3 ASN 64 2HB ASN 64 -9.147 10.113 0.576 510 HD21 ASN 64 1HD2 ASN 64 -10.690 7.609 -0.887 511 HD22 ASN 64 2HD2 ASN 64 -12.190 8.376 -1.286 512 H VAL 65 H VAL 65 -7.095 12.136 -0.122 513 HA VAL 65 HA VAL 65 -4.462 11.111 -0.601 514 HB VAL 65 HB VAL 65 -5.186 13.265 1.381 515 HG11 VAL 65 1HG1 VAL 65 -2.936 12.663 1.655 516 HG12 VAL 65 2HG1 VAL 65 -2.689 12.467 -0.082 517 HG13 VAL 65 3HG1 VAL 65 -2.889 14.081 0.606 518 HG21 VAL 65 3HG2 VAL 65 -4.782 14.860 -0.478 519 HG22 VAL 65 1HG2 VAL 65 -4.739 13.494 -1.592 520 HG23 VAL 65 2HG2 VAL 65 -6.221 13.865 -0.712 521 H GLY 66 H GLY 66 -3.195 9.893 0.649 522 HA2 GLY 66 2HA GLY 66 -4.400 8.496 2.858 523 HA3 GLY 66 1HA GLY 66 -2.813 8.202 2.168 524 H VAL 67 H VAL 67 -3.698 8.375 4.958 525 HA VAL 67 HA VAL 67 -1.960 10.590 5.825 526 HB VAL 67 HB VAL 67 -3.212 10.526 8.000 527 HG11 VAL 67 1HG1 VAL 67 -4.177 11.522 5.424 528 HG12 VAL 67 2HG1 VAL 67 -5.416 11.422 6.674 529 HG13 VAL 67 3HG1 VAL 67 -3.953 12.366 6.956 530 HG21 VAL 67 3HG2 VAL 67 -5.687 9.588 7.350 531 HG22 VAL 67 1HG2 VAL 67 -4.637 8.405 6.574 532 HG23 VAL 67 2HG2 VAL 67 -4.491 8.712 8.305 533 H ASN 68 H ASN 68 -2.953 7.232 6.500 534 HA ASN 68 HA ASN 68 -0.528 6.975 8.157 535 HB2 ASN 68 1HB ASN 68 -3.072 5.339 8.275 536 HB3 ASN 68 2HB ASN 68 -1.641 5.066 9.265 537 HD21 ASN 68 1HD2 ASN 68 -4.536 5.929 9.748 538 HD22 ASN 68 2HD2 ASN 68 -4.379 7.295 10.806 539 H ASP 69 H ASP 69 0.986 5.596 7.596 540 HA ASP 69 HA ASP 69 1.187 4.572 5.024 541 HB2 ASP 69 1HB ASP 69 2.668 3.432 7.407 542 HB3 ASP 69 2HB ASP 69 3.221 3.537 5.742 543 H ALA 70 H ALA 70 0.795 2.684 4.068 544 HA ALA 70 HA ALA 70 -0.993 0.796 5.264 545 HB1 ALA 70 3HB ALA 70 -1.399 0.500 3.098 546 HB2 ALA 70 1HB ALA 70 0.094 1.322 2.643 547 HB3 ALA 70 2HB ALA 70 0.114 -0.404 3.016 548 H PHE 71 H PHE 71 -0.579 -1.298 5.930 549 HA PHE 71 HA PHE 71 2.247 -2.089 6.070 550 HB2 PHE 71 1HB PHE 71 0.171 -2.155 8.237 551 HB3 PHE 71 2HB PHE 71 1.470 -3.339 8.230 552 HD1 PHE 71 HD2 PHE 71 1.123 0.370 7.818 553 HD2 PHE 71 HD1 PHE 71 3.230 -2.878 9.583 554 HE1 PHE 71 HE2 PHE 71 2.580 1.961 9.000 555 HE2 PHE 71 HE1 PHE 71 4.686 -1.293 10.771 556 HZ PHE 71 HZ PHE 71 4.362 1.128 10.480 557 H TYR 72 H TYR 72 2.677 -4.083 5.370 558 HA TYR 72 HA TYR 72 0.650 -5.799 4.278 559 HB2 TYR 72 1HB TYR 72 3.541 -6.350 5.009 560 HB3 TYR 72 2HB TYR 72 2.494 -7.497 4.189 561 HD1 TYR 72 HD1 TYR 72 1.706 -7.001 1.878 562 HD2 TYR 72 HD2 TYR 72 4.658 -4.626 3.816 563 HE1 TYR 72 HE1 TYR 72 2.429 -6.131 -0.301 564 HE2 TYR 72 HE2 TYR 72 5.386 -3.748 1.637 565 HH TYR 72 HH TYR 72 3.771 -4.752 -1.378 566 H CYS 73 H CYS 73 -0.587 -7.204 5.395 567 HA CYS 73 HA CYS 73 -0.322 -7.373 8.229 568 HB2 CYS 73 1HB CYS 73 -2.348 -8.521 8.243 569 HB3 CYS 73 2HB CYS 73 -2.485 -7.517 6.804 570 H TRP 74 H TRP 74 -0.328 -9.460 9.365 571 HA TRP 74 HA TRP 74 1.990 -10.867 9.139 572 HB2 TRP 74 1HB TRP 74 0.658 -10.978 11.104 573 HB3 TRP 74 2HB TRP 74 -0.685 -11.688 10.231 574 HD1 TRP 74 HD1 TRP 74 -0.912 -13.892 11.448 575 HE1 TRP 74 HE1 TRP 74 0.577 -15.965 11.806 576 HE3 TRP 74 HE3 TRP 74 3.444 -12.039 9.606 577 HZ2 TRP 74 HZ2 TRP 74 3.272 -16.697 11.344 578 HZ3 TRP 74 HZ3 TRP 74 5.442 -13.474 9.594 579 HH2 TRP 74 HH2 TRP 74 5.352 -15.759 10.440 580 H GLU 75 H GLU 75 -1.155 -12.128 8.146 581 HA GLU 75 HA GLU 75 -0.228 -14.514 7.183 582 HB2 GLU 75 1HB GLU 75 -2.660 -13.007 6.219 583 HB3 GLU 75 2HB GLU 75 -2.358 -14.717 5.949 584 HG2 GLU 75 1HG GLU 75 -2.341 -15.039 8.410 585 HG3 GLU 75 2HG GLU 75 -2.820 -13.350 8.589 586 H CYS 76 H CYS 76 -0.679 -11.524 5.313 587 HA CYS 76 HA CYS 76 -0.023 -12.703 2.821 588 HB2 CYS 76 1HB CYS 76 0.060 -9.828 3.730 589 HB3 CYS 76 2HB CYS 76 0.384 -10.338 2.076 590 H CYS 77 H CYS 77 1.892 -11.349 5.409 591 HA CYS 77 HA CYS 77 4.374 -11.304 3.972 592 HB2 CYS 77 1HB CYS 77 3.859 -11.480 6.950 593 HB3 CYS 77 2HB CYS 77 5.409 -11.117 6.196 594 HG CYS 77 HG CYS 77 2.632 -9.149 6.376 595 H ARG 78 H ARG 78 2.614 -13.624 5.923 596 HA ARG 78 HA ARG 78 4.614 -15.639 6.008 597 HB2 ARG 78 1HB ARG 78 2.679 -15.572 7.538 598 HB3 ARG 78 2HB ARG 78 1.602 -15.881 6.187 599 HG2 ARG 78 1HG ARG 78 1.932 -17.906 7.426 600 HG3 ARG 78 2HG ARG 78 2.705 -18.061 5.846 601 HD2 ARG 78 1HD ARG 78 4.864 -17.717 6.781 602 HD3 ARG 78 2HD ARG 78 4.183 -17.245 8.337 603 HE ARG 78 HE ARG 78 4.733 -19.885 7.439 604 HH11 ARG 78 2HH1 ARG 78 2.419 -18.058 9.342 605 HH12 ARG 78 1HH1 ARG 78 2.008 -19.398 10.368 606 HH21 ARG 78 2HH2 ARG 78 4.193 -21.651 8.790 607 HH22 ARG 78 1HH2 ARG 78 3.008 -21.440 10.049 608 H LEU 79 H LEU 79 1.851 -15.025 3.880 609 HA LEU 79 HA LEU 79 2.161 -17.254 2.186 610 HB2 LEU 79 1HB LEU 79 1.023 -14.524 1.563 611 HB3 LEU 79 2HB LEU 79 0.811 -15.956 0.575 612 HG LEU 79 HG LEU 79 -0.229 -15.620 3.391 613 HD11 LEU 79 1HD1 LEU 79 -2.183 -16.016 1.300 614 HD12 LEU 79 2HD1 LEU 79 -2.098 -14.768 2.545 615 HD13 LEU 79 3HD1 LEU 79 -1.226 -14.560 1.026 616 HD21 LEU 79 3HD2 LEU 79 -0.484 -17.823 3.417 617 HD22 LEU 79 1HD2 LEU 79 -1.497 -17.713 1.977 618 HD23 LEU 79 2HD2 LEU 79 0.245 -17.945 1.815 619 H GLY 80 H GLY 80 3.635 -14.087 2.228 620 HA2 GLY 80 2HA GLY 80 5.721 -13.564 1.265 621 HA3 GLY 80 1HA GLY 80 5.567 -14.966 0.218 622 H LYS 81 H LYS 81 3.013 -12.614 0.684 623 HA LYS 81 HA LYS 81 3.288 -11.847 -2.127 624 HB2 LYS 81 1HB LYS 81 1.008 -11.497 -0.176 625 HB3 LYS 81 2HB LYS 81 1.025 -10.807 -1.795 626 HG2 LYS 81 1HG LYS 81 1.214 -13.063 -2.743 627 HG3 LYS 81 2HG LYS 81 1.152 -13.738 -1.115 628 HD2 LYS 81 1HD LYS 81 -1.028 -13.888 -2.133 629 HD3 LYS 81 2HD LYS 81 -1.074 -12.720 -0.813 630 HE2 LYS 81 1HE LYS 81 -2.302 -11.921 -2.775 631 HE3 LYS 81 2HE LYS 81 -0.925 -10.887 -2.397 632 HZ1 LYS 81 3HZ LYS 81 -1.507 -12.079 -4.812 633 HZ2 LYS 81 1HZ LYS 81 -0.159 -12.913 -4.219 634 HZ3 LYS 81 2HZ LYS 81 -0.103 -11.224 -4.401 635 H ASP 82 H ASP 82 5.026 -10.989 0.049 636 HA ASP 82 HA ASP 82 4.479 -8.167 0.386 637 HB2 ASP 82 1HB ASP 82 6.712 -8.074 1.441 638 HB3 ASP 82 2HB ASP 82 5.659 -9.264 2.188 639 H LYS 83 H LYS 83 5.784 -10.228 -1.929 640 HA LYS 83 HA LYS 83 7.508 -8.307 -3.210 641 HB2 LYS 83 1HB LYS 83 7.388 -9.985 -5.142 642 HB3 LYS 83 2HB LYS 83 8.142 -10.520 -3.651 643 HG2 LYS 83 1HG LYS 83 6.830 -12.316 -4.380 644 HG3 LYS 83 2HG LYS 83 5.918 -11.581 -3.063 645 HD2 LYS 83 1HD LYS 83 4.545 -10.382 -4.720 646 HD3 LYS 83 2HD LYS 83 5.438 -11.184 -6.013 647 HE2 LYS 83 1HE LYS 83 3.803 -12.569 -3.891 648 HE3 LYS 83 2HE LYS 83 3.285 -12.275 -5.550 649 HZ1 LYS 83 3HZ LYS 83 5.317 -14.155 -4.546 650 HZ2 LYS 83 1HZ LYS 83 5.445 -13.554 -6.127 651 HZ3 LYS 83 2HZ LYS 83 4.064 -14.414 -5.659 652 H ASP 84 H ASP 84 4.294 -8.488 -2.800 653 HA ASP 84 HA ASP 84 3.474 -7.405 -5.366 654 HB2 ASP 84 1HB ASP 84 2.001 -7.935 -2.779 655 HB3 ASP 84 2HB ASP 84 1.271 -7.045 -4.109 656 H GLY 85 H GLY 85 5.055 -5.774 -5.243 657 HA2 GLY 85 2HA GLY 85 5.541 -4.024 -3.225 658 HA3 GLY 85 1HA GLY 85 5.798 -3.629 -4.914 659 H CYS 86 H CYS 86 4.170 -2.473 -6.044 660 HA CYS 86 HA CYS 86 2.961 -0.489 -4.383 661 HB2 CYS 86 1HB CYS 86 4.055 -0.161 -6.664 662 HB3 CYS 86 2HB CYS 86 2.578 -0.820 -7.356 663 HA PRO 87 HA PRO 87 -0.865 -2.842 -4.397 664 HB2 PRO 87 1HB PRO 87 -1.733 -2.160 -2.000 665 HB3 PRO 87 2HB PRO 87 -0.277 -3.150 -2.169 666 HG2 PRO 87 1HG PRO 87 -0.528 -0.226 -1.607 667 HG3 PRO 87 2HG PRO 87 0.580 -1.411 -0.896 668 HD2 PRO 87 1HD PRO 87 1.193 0.330 -2.989 669 HD3 PRO 87 2HD PRO 87 2.102 -1.135 -2.567 670 H ARG 88 H ARG 88 -0.761 -0.229 -5.783 671 HA ARG 88 HA ARG 88 -3.087 1.204 -4.867 672 HB2 ARG 88 1HB ARG 88 -1.417 1.427 -7.366 673 HB3 ARG 88 2HB ARG 88 -2.882 2.371 -7.121 674 HG2 ARG 88 1HG ARG 88 -1.745 3.041 -4.886 675 HG3 ARG 88 2HG ARG 88 -0.272 2.516 -5.689 676 HD2 ARG 88 1HD ARG 88 -0.367 4.202 -7.251 677 HD3 ARG 88 2HD ARG 88 -2.115 4.386 -7.101 678 HE ARG 88 HE ARG 88 -1.051 5.107 -4.658 679 HH11 ARG 88 2HH1 ARG 88 -0.713 6.212 -7.959 680 HH12 ARG 88 1HH1 ARG 88 -0.518 7.879 -7.515 681 HH21 ARG 88 2HH2 ARG 88 -0.809 7.297 -4.061 682 HH22 ARG 88 1HH2 ARG 88 -0.588 8.502 -5.294 683 H ILE 89 H ILE 89 -5.034 0.434 -5.064 684 HA ILE 89 HA ILE 89 -5.639 -1.742 -6.822 685 HB ILE 89 HB ILE 89 -7.521 -0.082 -5.134 686 HG12 ILE 89 1HG1 ILE 89 -5.782 -1.220 -3.810 687 HG13 ILE 89 2HG1 ILE 89 -7.371 -1.922 -3.520 688 HG21 ILE 89 1HG2 ILE 89 -9.132 -1.164 -6.230 689 HG22 ILE 89 2HG2 ILE 89 -7.969 -2.206 -7.049 690 HG23 ILE 89 3HG2 ILE 89 -8.562 -2.638 -5.445 691 HD11 ILE 89 3HD1 ILE 89 -5.224 -3.409 -3.911 692 HD12 ILE 89 1HD1 ILE 89 -6.816 -3.908 -4.479 693 HD13 ILE 89 2HD1 ILE 89 -5.668 -3.175 -5.601 694 H LEU 90 H LEU 90 -5.242 -0.948 -8.862 695 HA LEU 90 HA LEU 90 -6.285 1.418 -9.942 696 HB2 LEU 90 1HB LEU 90 -5.559 -1.083 -11.446 697 HB3 LEU 90 2HB LEU 90 -5.562 0.560 -12.060 698 HG LEU 90 HG LEU 90 -3.747 -0.302 -9.822 699 HD11 LEU 90 1HD1 LEU 90 -3.216 -0.343 -12.782 700 HD12 LEU 90 2HD1 LEU 90 -2.006 -0.574 -11.520 701 HD13 LEU 90 3HD1 LEU 90 -3.314 -1.743 -11.712 702 HD21 LEU 90 3HD2 LEU 90 -4.157 2.127 -11.444 703 HD22 LEU 90 1HD2 LEU 90 -3.546 1.947 -9.800 704 HD23 LEU 90 2HD2 LEU 90 -2.480 1.656 -11.174 705 H ASN 91 H ASN 91 -7.405 -1.918 -10.065 706 HA ASN 91 HA ASN 91 -9.563 -1.441 -11.830 707 HB2 ASN 91 1HB ASN 91 -10.168 -3.699 -11.482 708 HB3 ASN 91 2HB ASN 91 -8.419 -3.676 -11.324 709 HD21 ASN 91 1HD2 ASN 91 -7.488 -4.018 -9.276 710 HD22 ASN 91 2HD2 ASN 91 -8.402 -4.688 -7.964 711 H LEU 92 H LEU 92 -11.509 -0.669 -11.490 712 HA LEU 92 HA LEU 92 -13.399 0.100 -10.506 713 HB2 LEU 92 1HB LEU 92 -12.427 -1.703 -8.349 714 HB3 LEU 92 2HB LEU 92 -13.647 -0.516 -7.938 715 HG LEU 92 HG LEU 92 -14.682 -2.648 -8.450 716 HD11 LEU 92 1HD1 LEU 92 -16.425 -1.721 -9.508 717 HD12 LEU 92 2HD1 LEU 92 -15.475 -0.240 -9.388 718 HD13 LEU 92 3HD1 LEU 92 -15.447 -1.186 -10.875 719 HD21 LEU 92 3HD2 LEU 92 -13.908 -3.996 -10.028 720 HD22 LEU 92 1HD2 LEU 92 -14.320 -2.807 -11.264 721 HD23 LEU 92 2HD2 LEU 92 -12.731 -2.767 -10.496 722 H GLY 93 H GLY 93 -10.520 0.370 -8.441 723 HA2 GLY 93 2HA GLY 93 -9.636 2.221 -7.380 724 HA3 GLY 93 1HA GLY 93 -10.762 3.226 -8.288 725 H SER 94 H SER 94 -11.961 4.374 -6.925 726 HA SER 94 HA SER 94 -13.031 2.975 -4.563 727 HB2 SER 94 1HB SER 94 -11.720 4.938 -3.952 728 HB3 SER 94 2HB SER 94 -12.681 5.952 -5.029 729 HG SER 94 HG SER 94 -14.502 5.048 -3.607 730 H ASN 95 H ASN 95 -13.881 3.103 -7.481 731 HA ASN 95 HA ASN 95 -16.476 4.396 -7.342 732 HB2 ASN 95 1HB ASN 95 -15.213 2.696 -9.503 733 HB3 ASN 95 2HB ASN 95 -16.780 3.486 -9.639 734 HD21 ASN 95 1HD2 ASN 95 -13.633 3.745 -10.450 735 HD22 ASN 95 2HD2 ASN 95 -13.520 5.460 -10.655 736 H ARG 96 H ARG 96 -16.440 2.721 -5.333 737 HA ARG 96 HA ARG 96 -18.583 0.961 -5.883 738 HB2 ARG 96 1HB ARG 96 -17.257 -1.060 -4.830 739 HB3 ARG 96 2HB ARG 96 -17.234 -0.768 -6.559 740 HG2 ARG 96 1HG ARG 96 -15.025 -1.312 -5.851 741 HG3 ARG 96 2HG ARG 96 -15.057 0.398 -6.277 742 HD2 ARG 96 1HD ARG 96 -15.137 1.026 -3.963 743 HD3 ARG 96 2HD ARG 96 -15.308 -0.658 -3.467 744 HE ARG 96 HE ARG 96 -12.952 -0.481 -4.930 745 HH11 ARG 96 2HH1 ARG 96 -14.233 0.862 -1.947 746 HH12 ARG 96 1HH1 ARG 96 -12.676 0.938 -1.181 747 HH21 ARG 96 2HH2 ARG 96 -10.934 -0.357 -3.936 748 HH22 ARG 96 1HH2 ARG 96 -10.794 0.249 -2.317 749 H LEU 97 H LEU 97 -17.613 -0.686 -3.423 750 HA LEU 97 HA LEU 97 -19.015 0.789 -1.508 751 HB2 LEU 97 1HB LEU 97 -18.081 -0.790 0.155 752 HB3 LEU 97 2HB LEU 97 -18.811 -1.571 -1.229 753 HG LEU 97 HG LEU 97 -16.371 -1.741 -2.120 754 HD11 LEU 97 1HD1 LEU 97 -15.136 -0.432 -0.621 755 HD12 LEU 97 2HD1 LEU 97 -15.937 -1.131 0.787 756 HD13 LEU 97 3HD1 LEU 97 -14.792 -2.098 -0.145 757 HD21 LEU 97 3HD2 LEU 97 -17.441 -3.742 -1.685 758 HD22 LEU 97 1HD2 LEU 97 -16.072 -3.807 -0.576 759 HD23 LEU 97 2HD2 LEU 97 -17.671 -3.366 0.023 760 H ASP 98 H ASP 98 -18.440 2.130 0.114 761 HA ASP 98 HA ASP 98 -15.619 2.964 0.247 762 HB2 ASP 98 1HB ASP 98 -16.312 5.281 0.584 763 HB3 ASP 98 2HB ASP 98 -16.926 4.684 -0.952 764 H ARG 99 H ARG 99 -17.166 1.068 1.762 765 HA ARG 99 HA ARG 99 -16.597 2.077 4.429 766 HB2 ARG 99 1HB ARG 99 -19.297 1.007 3.586 767 HB3 ARG 99 2HB ARG 99 -18.774 1.078 5.260 768 HG2 ARG 99 1HG ARG 99 -19.026 3.452 3.437 769 HG3 ARG 99 2HG ARG 99 -20.236 2.938 4.612 770 HD2 ARG 99 1HD ARG 99 -18.472 3.174 6.383 771 HD3 ARG 99 2HD ARG 99 -17.440 3.917 5.161 772 HE ARG 99 HE ARG 99 -19.561 5.158 6.590 773 HH11 ARG 99 2HH1 ARG 99 -17.931 5.155 3.484 774 HH12 ARG 99 1HH1 ARG 99 -18.505 6.737 3.046 775 HH21 ARG 99 2HH2 ARG 99 -20.325 7.225 6.000 776 HH22 ARG 99 1HH2 ARG 99 -19.872 7.903 4.464 777 H HIS 100 H HIS 100 -15.993 0.465 5.833 778 HA HIS 100 HA HIS 100 -15.470 -2.133 4.651 779 HB2 HIS 100 1HB HIS 100 -13.812 -1.021 6.166 780 HB3 HIS 100 2HB HIS 100 -14.969 -1.175 7.483 781 HD1 HIS 100 HD1 HIS 100 -12.901 -2.555 8.574 782 HD2 HIS 100 HD2 HIS 100 -14.884 -4.352 5.385 783 HE1 HIS 100 HE1 HIS 100 -12.251 -4.989 8.645 784 HE2 HIS 100 HE2 HIS 100 -13.416 -6.048 6.671 785 H PHE 101 H PHE 101 -17.063 -3.612 4.624 786 HA PHE 101 HA PHE 101 -19.393 -3.341 6.218 787 HB2 PHE 101 1HB PHE 101 -19.916 -5.688 5.382 788 HB3 PHE 101 2HB PHE 101 -19.738 -4.435 4.165 789 HD1 PHE 101 HD1 PHE 101 -17.842 -7.172 5.840 790 HD2 PHE 101 HD2 PHE 101 -18.343 -4.772 2.363 791 HE1 PHE 101 HE1 PHE 101 -16.206 -8.566 4.645 792 HE2 PHE 101 HE2 PHE 101 -16.711 -6.164 1.160 793 HZ PHE 101 HZ PHE 101 -15.640 -8.065 2.301 794 H GLU 102 H GLU 102 -19.803 -3.969 8.180 795 HA GLU 102 HA GLU 102 -18.543 -6.153 9.531 796 HB2 GLU 102 1HB GLU 102 -16.695 -4.450 9.418 797 HB3 GLU 102 2HB GLU 102 -17.715 -3.346 10.323 798 HG2 GLU 102 1HG GLU 102 -16.970 -6.036 11.408 799 HG3 GLU 102 2HG GLU 102 -15.910 -4.640 11.579 800 H LYS 103 H LYS 103 -19.947 -2.927 10.016 801 HA LYS 103 HA LYS 103 -21.344 -3.643 12.388 802 HB2 LYS 103 1HB LYS 103 -20.753 -1.332 11.970 803 HB3 LYS 103 2HB LYS 103 -21.694 -1.320 10.487 804 HG2 LYS 103 1HG LYS 103 -22.885 -0.162 12.236 805 HG3 LYS 103 2HG LYS 103 -23.744 -1.640 11.799 806 HD2 LYS 103 1HD LYS 103 -22.716 -2.767 13.746 807 HD3 LYS 103 2HD LYS 103 -21.961 -1.236 14.199 808 HE2 LYS 103 1HE LYS 103 -24.155 -0.213 14.435 809 HE3 LYS 103 2HE LYS 103 -24.924 -1.722 13.944 810 HZ1 LYS 103 3HZ LYS 103 -25.037 -1.940 16.186 811 HZ2 LYS 103 1HZ LYS 103 -23.646 -1.020 16.474 812 HZ3 LYS 103 2HZ LYS 103 -23.504 -2.630 15.951 813 H LYS 104 H LYS 104 -22.545 -2.908 9.103 814 HA LYS 104 HA LYS 104 -24.344 -5.056 8.976 815 HB2 LYS 104 1HB LYS 104 -25.400 -3.679 10.837 816 HB3 LYS 104 2HB LYS 104 -25.715 -2.443 9.630 817 HG2 LYS 104 1HG LYS 104 -27.172 -3.917 8.418 818 HG3 LYS 104 2HG LYS 104 -26.749 -5.266 9.477 819 HD2 LYS 104 1HD LYS 104 -27.681 -4.004 11.390 820 HD3 LYS 104 2HD LYS 104 -28.185 -2.736 10.275 821 HE2 LYS 104 1HE LYS 104 -29.649 -4.275 9.126 822 HE3 LYS 104 2HE LYS 104 -29.084 -5.610 10.129 823 HZ1 LYS 104 3HZ LYS 104 -31.209 -3.920 10.644 824 HZ2 LYS 104 1HZ LYS 104 -30.002 -3.467 11.747 825 HZ3 LYS 104 2HZ LYS 104 -30.545 -5.073 11.695 826 H LYS 105 H LYS 105 -24.760 -5.323 6.898 827 HA LYS 105 HA LYS 105 -25.084 -4.971 4.686 828 HB2 LYS 105 1HB LYS 105 -25.485 -2.086 5.475 829 HB3 LYS 105 2HB LYS 105 -25.683 -2.698 3.840 830 HG2 LYS 105 1HG LYS 105 -27.405 -4.288 4.766 831 HG3 LYS 105 2HG LYS 105 -27.316 -3.368 6.268 832 HD2 LYS 105 1HD LYS 105 -27.970 -1.341 5.090 833 HD3 LYS 105 2HD LYS 105 -28.004 -2.223 3.563 834 HE2 LYS 105 1HE LYS 105 -29.772 -2.708 5.957 835 HE3 LYS 105 2HE LYS 105 -30.253 -1.960 4.433 836 HZ1 LYS 105 3HZ LYS 105 -29.191 -4.331 3.649 837 HZ2 LYS 105 1HZ LYS 105 -30.847 -4.020 3.851 838 HZ3 LYS 105 2HZ LYS 105 -29.960 -4.742 5.101 839 H LYS 106 H LYS 106 -23.832 -4.620 2.904 840 HA LYS 106 HA LYS 106 -21.083 -3.838 3.468 841 HB2 LYS 106 1HB LYS 106 -22.317 -4.965 0.944 842 HB3 LYS 106 2HB LYS 106 -20.598 -4.762 1.250 843 HG2 LYS 106 1HG LYS 106 -20.661 -6.408 3.006 844 HG3 LYS 106 2HG LYS 106 -22.415 -6.542 2.859 845 HD2 LYS 106 1HD LYS 106 -20.445 -7.207 0.672 846 HD3 LYS 106 2HD LYS 106 -21.202 -8.390 1.740 847 HE2 LYS 106 1HE LYS 106 -23.400 -7.765 0.909 848 HE3 LYS 106 2HE LYS 106 -22.677 -6.523 -0.110 849 HZ1 LYS 106 3HZ LYS 106 -23.263 -8.759 -1.162 850 HZ2 LYS 106 1HZ LYS 106 -21.881 -9.352 -0.379 851 HZ3 LYS 106 2HZ LYS 106 -21.745 -8.093 -1.510 852 H VAL 107 H VAL 107 -22.737 -1.665 3.620 853 HA VAL 107 HA VAL 107 -21.905 -0.095 1.294 854 HB VAL 107 HB VAL 107 -24.091 1.112 1.307 855 HG11 VAL 107 1HG1 VAL 107 -25.376 -1.093 0.444 856 HG12 VAL 107 2HG1 VAL 107 -24.156 -0.236 -0.498 857 HG13 VAL 107 3HG1 VAL 107 -23.711 -1.672 0.423 858 HG21 VAL 107 3HG2 VAL 107 -24.610 0.114 3.674 859 HG22 VAL 107 1HG2 VAL 107 -25.915 0.463 2.539 860 HG23 VAL 107 2HG2 VAL 107 -25.333 -1.191 2.732 Start of MODEL 16 1 H1 GLY -1 1H GLY -1 -25.817 -4.998 -11.867 2 H2 GLY -1 2H GLY -1 -27.467 -5.158 -12.218 3 H3 GLY -1 3H GLY -1 -26.309 -5.738 -13.311 4 HA2 GLY -1 1HA GLY -1 -27.403 -7.499 -11.963 5 HA3 GLY -1 2HA GLY -1 -25.647 -7.470 -11.867 6 H GLY 0 H GLY 0 -25.399 -8.342 -9.868 7 HA2 GLY 0 2HA GLY 0 -25.923 -6.595 -7.618 8 HA3 GLY 0 1HA GLY 0 -26.845 -8.094 -7.595 9 H SER 1 H SER 1 -23.533 -7.346 -8.585 10 HA SER 1 HA SER 1 -22.471 -9.727 -7.492 11 HB2 SER 1 1HB SER 1 -20.995 -7.199 -8.261 12 HB3 SER 1 2HB SER 1 -20.312 -8.819 -8.125 13 HG SER 1 HG SER 1 -21.437 -9.454 -9.907 14 H SER 2 H SER 2 -22.632 -6.393 -6.349 15 HA SER 2 HA SER 2 -22.214 -5.414 -4.348 16 HB2 SER 2 1HB SER 2 -22.635 -8.200 -3.234 17 HB3 SER 2 2HB SER 2 -22.775 -6.684 -2.345 18 HG SER 2 HG SER 2 -24.540 -7.886 -4.098 19 H ARG 3 H ARG 3 -19.968 -5.946 -5.749 20 HA ARG 3 HA ARG 3 -18.017 -7.496 -4.412 21 HB2 ARG 3 1HB ARG 3 -17.666 -5.156 -6.290 22 HB3 ARG 3 2HB ARG 3 -16.387 -6.259 -5.806 23 HG2 ARG 3 1HG ARG 3 -17.574 -8.104 -6.894 24 HG3 ARG 3 2HG ARG 3 -18.850 -6.982 -7.382 25 HD2 ARG 3 1HD ARG 3 -15.945 -6.801 -8.175 26 HD3 ARG 3 2HD ARG 3 -17.256 -7.380 -9.203 27 HE ARG 3 HE ARG 3 -16.625 -4.633 -8.539 28 HH11 ARG 3 2HH1 ARG 3 -18.974 -6.841 -9.903 29 HH12 ARG 3 1HH1 ARG 3 -19.972 -5.578 -10.553 30 HH21 ARG 3 2HH2 ARG 3 -17.919 -2.964 -9.431 31 HH22 ARG 3 1HH2 ARG 3 -19.366 -3.379 -10.301 32 H HIS 4 H HIS 4 -16.540 -7.010 -2.895 33 HA HIS 4 HA HIS 4 -16.791 -4.541 -1.388 34 HB2 HIS 4 1HB HIS 4 -14.934 -6.921 -1.141 35 HB3 HIS 4 2HB HIS 4 -14.833 -5.510 -0.093 36 HD1 HIS 4 HD1 HIS 4 -17.298 -4.977 1.141 37 HD2 HIS 4 HD2 HIS 4 -16.482 -8.871 -0.090 38 HE1 HIS 4 HE1 HIS 4 -18.891 -6.448 2.420 39 HE2 HIS 4 HE2 HIS 4 -18.441 -8.790 1.602 40 H GLN 5 H GLN 5 -13.650 -4.841 -1.096 41 HA GLN 5 HA GLN 5 -13.017 -2.890 -3.133 42 HB2 GLN 5 1HB GLN 5 -11.988 -2.818 -0.870 43 HB3 GLN 5 2HB GLN 5 -11.155 -4.323 -1.229 44 HG2 GLN 5 1HG GLN 5 -9.675 -2.429 -1.516 45 HG3 GLN 5 2HG GLN 5 -9.961 -3.236 -3.058 46 HE21 GLN 5 1HE2 GLN 5 -9.854 -1.717 -4.551 47 HE22 GLN 5 2HE2 GLN 5 -10.705 -0.213 -4.533 48 H PHE 6 H PHE 6 -13.621 -4.269 -4.952 49 HA PHE 6 HA PHE 6 -11.491 -6.195 -5.583 50 HB2 PHE 6 1HB PHE 6 -14.433 -6.369 -6.106 51 HB3 PHE 6 2HB PHE 6 -13.290 -7.215 -7.145 52 HD1 PHE 6 HD1 PHE 6 -14.102 -6.785 -3.527 53 HD2 PHE 6 HD2 PHE 6 -12.649 -9.345 -6.602 54 HE1 PHE 6 HE1 PHE 6 -13.973 -8.640 -1.918 55 HE2 PHE 6 HE2 PHE 6 -12.524 -11.204 -4.995 56 HZ PHE 6 HZ PHE 6 -13.186 -10.853 -2.652 57 H ASP 7 H ASP 7 -11.620 -3.349 -6.151 58 HA ASP 7 HA ASP 7 -11.521 -3.386 -9.081 59 HB2 ASP 7 1HB ASP 7 -11.235 -1.166 -7.071 60 HB3 ASP 7 2HB ASP 7 -10.495 -1.020 -8.673 61 H LEU 8 H LEU 8 -10.038 -5.248 -8.294 62 HA LEU 8 HA LEU 8 -7.561 -4.699 -7.177 63 HB2 LEU 8 1HB LEU 8 -8.202 -6.965 -9.007 64 HB3 LEU 8 2HB LEU 8 -6.914 -6.880 -7.828 65 HG LEU 8 HG LEU 8 -9.781 -7.441 -7.427 66 HD11 LEU 8 1HD1 LEU 8 -8.719 -8.912 -5.696 67 HD12 LEU 8 2HD1 LEU 8 -8.263 -9.240 -7.370 68 HD13 LEU 8 3HD1 LEU 8 -7.166 -8.348 -6.317 69 HD21 LEU 8 3HD2 LEU 8 -9.867 -5.669 -5.961 70 HD22 LEU 8 1HD2 LEU 8 -9.254 -6.947 -4.910 71 HD23 LEU 8 2HD2 LEU 8 -8.143 -5.757 -5.586 72 H ILE 9 H ILE 9 -6.316 -6.347 -9.440 73 HA ILE 9 HA ILE 9 -4.856 -6.011 -11.127 74 HB ILE 9 HB ILE 9 -6.906 -3.900 -11.789 75 HG12 ILE 9 1HG1 ILE 9 -7.314 -5.411 -13.743 76 HG13 ILE 9 2HG1 ILE 9 -6.147 -6.536 -13.058 77 HG21 ILE 9 1HG2 ILE 9 -4.236 -3.978 -12.794 78 HG22 ILE 9 2HG2 ILE 9 -5.379 -4.334 -14.091 79 HG23 ILE 9 3HG2 ILE 9 -5.545 -2.848 -13.154 80 HD11 ILE 9 3HD1 ILE 9 -8.713 -6.841 -12.659 81 HD12 ILE 9 1HD1 ILE 9 -7.549 -7.175 -11.373 82 HD13 ILE 9 2HD1 ILE 9 -8.437 -5.649 -11.386 83 H MET 10 H MET 10 -4.158 -5.350 -8.767 84 HA MET 10 HA MET 10 -3.446 -2.639 -8.408 85 HB2 MET 10 1HB MET 10 -2.230 -3.389 -6.426 86 HB3 MET 10 2HB MET 10 -3.837 -4.088 -6.500 87 HG2 MET 10 1HG MET 10 -2.620 -6.105 -7.581 88 HG3 MET 10 2HG MET 10 -1.187 -5.394 -6.839 89 HE1 MET 10 3HE MET 10 -2.381 -3.939 -4.614 90 HE2 MET 10 1HE MET 10 -3.211 -4.828 -3.337 91 HE3 MET 10 2HE MET 10 -1.472 -5.021 -3.557 92 H CYS 11 H CYS 11 -1.504 -1.670 -8.388 93 HA CYS 11 HA CYS 11 -0.150 -1.715 -10.689 94 HB2 CYS 11 1HB CYS 11 -0.190 0.004 -8.853 95 HB3 CYS 11 2HB CYS 11 1.082 -0.914 -8.061 96 H LEU 12 H LEU 12 1.306 -2.976 -7.688 97 HA LEU 12 HA LEU 12 3.071 -4.331 -7.292 98 HB2 LEU 12 1HB LEU 12 1.763 -5.871 -9.522 99 HB3 LEU 12 2HB LEU 12 2.881 -6.529 -8.340 100 HG LEU 12 HG LEU 12 0.149 -5.393 -7.749 101 HD11 LEU 12 1HD1 LEU 12 0.702 -7.807 -8.812 102 HD12 LEU 12 2HD1 LEU 12 0.810 -8.172 -7.089 103 HD13 LEU 12 3HD1 LEU 12 -0.667 -7.474 -7.753 104 HD21 LEU 12 3HD2 LEU 12 1.380 -6.929 -5.639 105 HD22 LEU 12 1HD2 LEU 12 2.360 -5.527 -6.061 106 HD23 LEU 12 2HD2 LEU 12 0.674 -5.314 -5.589 107 H LYS 13 H LYS 13 3.808 -2.239 -9.092 108 HA LYS 13 HA LYS 13 5.688 -3.451 -10.945 109 HB2 LYS 13 1HB LYS 13 4.978 -0.629 -10.235 110 HB3 LYS 13 2HB LYS 13 6.513 -0.964 -11.021 111 HG2 LYS 13 1HG LYS 13 5.220 -2.154 -12.811 112 HG3 LYS 13 2HG LYS 13 3.755 -1.512 -12.068 113 HD2 LYS 13 1HD LYS 13 5.997 0.324 -12.815 114 HD3 LYS 13 2HD LYS 13 4.860 -0.228 -14.032 115 HE2 LYS 13 1HE LYS 13 3.065 0.553 -12.326 116 HE3 LYS 13 2HE LYS 13 4.388 1.504 -11.656 117 HZ1 LYS 13 3HZ LYS 13 3.065 1.736 -14.270 118 HZ2 LYS 13 1HZ LYS 13 4.687 2.212 -14.134 119 HZ3 LYS 13 2HZ LYS 13 3.500 2.957 -13.177 120 H GLN 14 H GLN 14 7.980 -2.004 -10.622 121 HA GLN 14 HA GLN 14 9.159 -3.292 -8.351 122 HB2 GLN 14 1HB GLN 14 10.115 -2.364 -10.741 123 HB3 GLN 14 2HB GLN 14 10.687 -1.127 -9.629 124 HG2 GLN 14 1HG GLN 14 11.164 -4.076 -9.300 125 HG3 GLN 14 2HG GLN 14 12.308 -2.947 -10.019 126 HE21 GLN 14 1HE2 GLN 14 11.717 -0.796 -8.188 127 HE22 GLN 14 2HE2 GLN 14 12.403 -1.241 -6.663 128 HA PRO 15 HA PRO 15 8.156 0.145 -5.677 129 HB2 PRO 15 1HB PRO 15 8.967 -1.383 -3.430 130 HB3 PRO 15 2HB PRO 15 7.324 -1.099 -3.999 131 HG2 PRO 15 1HG PRO 15 8.628 -3.554 -4.013 132 HG3 PRO 15 2HG PRO 15 7.195 -3.143 -4.970 133 HD2 PRO 15 1HD PRO 15 10.060 -3.247 -5.789 134 HD3 PRO 15 2HD PRO 15 8.602 -3.658 -6.718 135 H GLY 16 H GLY 16 9.308 1.761 -4.813 136 HA2 GLY 16 2HA GLY 16 12.221 1.424 -4.620 137 HA3 GLY 16 1HA GLY 16 11.364 2.960 -4.664 138 H VAL 17 H VAL 17 12.026 3.884 -2.807 139 HA VAL 17 HA VAL 17 11.727 2.378 -0.302 140 HB VAL 17 HB VAL 17 13.840 3.652 -0.675 141 HG11 VAL 17 1HG1 VAL 17 11.989 6.020 -0.619 142 HG12 VAL 17 2HG1 VAL 17 13.728 6.138 -0.346 143 HG13 VAL 17 3HG1 VAL 17 13.116 5.550 -1.892 144 HG21 VAL 17 3HG2 VAL 17 13.430 5.078 1.576 145 HG22 VAL 17 1HG2 VAL 17 12.063 3.967 1.645 146 HG23 VAL 17 2HG2 VAL 17 13.707 3.336 1.545 147 H GLN 18 H GLN 18 10.141 4.532 -2.309 148 HA GLN 18 HA GLN 18 8.763 6.230 -0.585 149 HB2 GLN 18 1HB GLN 18 7.580 5.094 -3.107 150 HB3 GLN 18 2HB GLN 18 7.336 6.689 -2.412 151 HG2 GLN 18 1HG GLN 18 9.934 5.712 -3.568 152 HG3 GLN 18 2HG GLN 18 8.745 6.672 -4.443 153 HE21 GLN 18 1HE2 GLN 18 9.113 8.737 -4.495 154 HE22 GLN 18 2HE2 GLN 18 10.022 9.660 -3.349 155 H THR 19 H THR 19 6.943 6.038 0.624 156 HA THR 19 HA THR 19 5.823 3.337 0.872 157 HB THR 19 HB THR 19 5.538 5.600 2.849 158 HG1 THR 19 HG1 THR 19 7.476 5.130 3.567 159 HG21 THR 19 1HG2 THR 19 5.491 3.194 4.187 160 HG22 THR 19 2HG2 THR 19 4.617 2.836 2.697 161 HG23 THR 19 3HG2 THR 19 4.076 4.151 3.740 162 H GLY 20 H GLY 20 3.686 2.928 0.587 163 HA2 GLY 20 2HA GLY 20 2.060 4.928 -0.703 164 HA3 GLY 20 1HA GLY 20 1.602 3.265 -0.362 165 H LEU 21 H LEU 21 0.476 6.125 0.120 166 HA LEU 21 HA LEU 21 0.052 6.055 3.000 167 HB2 LEU 21 1HB LEU 21 -0.781 8.003 0.858 168 HB3 LEU 21 2HB LEU 21 -1.261 8.153 2.538 169 HG LEU 21 HG LEU 21 1.591 8.171 1.549 170 HD11 LEU 21 1HD1 LEU 21 0.027 10.473 2.677 171 HD12 LEU 21 2HD1 LEU 21 1.599 10.503 1.877 172 HD13 LEU 21 3HD1 LEU 21 0.142 10.157 0.945 173 HD21 LEU 21 3HD2 LEU 21 1.857 9.128 3.949 174 HD22 LEU 21 1HD2 LEU 21 0.327 8.305 4.253 175 HD23 LEU 21 2HD2 LEU 21 1.732 7.384 3.718 176 H LEU 22 H LEU 22 -1.894 5.798 4.010 177 HA LEU 22 HA LEU 22 -4.117 4.741 2.379 178 HB2 LEU 22 1HB LEU 22 -3.517 4.355 5.316 179 HB3 LEU 22 2HB LEU 22 -4.948 3.755 4.502 180 HG LEU 22 HG LEU 22 -2.109 2.881 4.080 181 HD11 LEU 22 1HD1 LEU 22 -2.715 0.883 5.082 182 HD12 LEU 22 2HD1 LEU 22 -3.581 2.079 6.048 183 HD13 LEU 22 3HD1 LEU 22 -4.437 1.154 4.814 184 HD21 LEU 22 3HD2 LEU 22 -2.629 2.199 2.039 185 HD22 LEU 22 1HD2 LEU 22 -3.969 1.253 2.689 186 HD23 LEU 22 2HD2 LEU 22 -4.226 2.928 2.203 187 H CYS 23 H CYS 23 -6.037 5.770 2.438 188 HA CYS 23 HA CYS 23 -6.258 8.297 3.791 189 HB2 CYS 23 1HB CYS 23 -8.335 8.553 2.731 190 HB3 CYS 23 2HB CYS 23 -7.401 7.624 1.567 191 H GLU 24 H GLU 24 -7.751 8.723 5.498 192 HA GLU 24 HA GLU 24 -7.500 7.117 7.682 193 HB2 GLU 24 1HB GLU 24 -9.962 8.797 7.275 194 HB3 GLU 24 2HB GLU 24 -9.115 8.454 8.778 195 HG2 GLU 24 1HG GLU 24 -7.192 9.756 7.949 196 HG3 GLU 24 2HG GLU 24 -8.126 10.153 6.507 197 H LYS 25 H LYS 25 -9.982 6.922 5.235 198 HA LYS 25 HA LYS 25 -11.708 5.197 6.668 199 HB2 LYS 25 1HB LYS 25 -11.492 5.836 3.733 200 HB3 LYS 25 2HB LYS 25 -12.783 4.864 4.434 201 HG2 LYS 25 1HG LYS 25 -13.510 6.723 5.785 202 HG3 LYS 25 2HG LYS 25 -12.149 7.699 5.232 203 HD2 LYS 25 1HD LYS 25 -14.208 6.570 3.357 204 HD3 LYS 25 2HD LYS 25 -14.381 8.146 4.131 205 HE2 LYS 25 1HE LYS 25 -11.935 7.423 2.557 206 HE3 LYS 25 2HE LYS 25 -13.376 8.074 1.778 207 HZ1 LYS 25 3HZ LYS 25 -11.613 9.375 3.765 208 HZ2 LYS 25 1HZ LYS 25 -13.187 9.938 3.475 209 HZ3 LYS 25 2HZ LYS 25 -12.046 9.920 2.220 210 H CYS 26 H CYS 26 -8.876 4.564 4.714 211 HA CYS 26 HA CYS 26 -9.479 1.677 4.845 212 HB2 CYS 26 1HB CYS 26 -7.291 3.021 3.243 213 HB3 CYS 26 2HB CYS 26 -7.732 1.321 3.193 214 H ASP 27 H ASP 27 -8.068 3.999 6.592 215 HA ASP 27 HA ASP 27 -5.476 3.163 7.136 216 HB2 ASP 27 1HB ASP 27 -6.458 5.322 7.860 217 HB3 ASP 27 2HB ASP 27 -7.412 4.465 9.064 218 H GLY 28 H GLY 28 -4.852 1.235 7.778 219 HA2 GLY 28 2HA GLY 28 -4.691 -0.201 9.788 220 HA3 GLY 28 1HA GLY 28 -6.448 -0.137 9.851 221 H LYS 29 H LYS 29 -6.561 -0.301 6.878 222 HA LYS 29 HA LYS 29 -6.781 -3.148 6.709 223 HB2 LYS 29 1HB LYS 29 -7.043 -1.001 4.596 224 HB3 LYS 29 2HB LYS 29 -7.417 -2.693 4.340 225 HG2 LYS 29 1HG LYS 29 -9.213 -2.597 5.920 226 HG3 LYS 29 2HG LYS 29 -8.803 -0.927 6.324 227 HD2 LYS 29 1HD LYS 29 -9.315 -0.213 4.071 228 HD3 LYS 29 2HD LYS 29 -9.610 -1.883 3.580 229 HE2 LYS 29 1HE LYS 29 -11.134 -0.703 5.840 230 HE3 LYS 29 2HE LYS 29 -11.610 -0.327 4.185 231 HZ1 LYS 29 3HZ LYS 29 -11.642 -2.923 5.586 232 HZ2 LYS 29 1HZ LYS 29 -11.548 -2.875 3.895 233 HZ3 LYS 29 2HZ LYS 29 -12.871 -2.174 4.691 234 H CYS 30 H CYS 30 -5.382 -4.564 5.965 235 HA CYS 30 HA CYS 30 -2.825 -3.779 4.858 236 HB2 CYS 30 1HB CYS 30 -2.686 -5.732 6.144 237 HB3 CYS 30 2HB CYS 30 -4.193 -6.372 5.502 238 HA PRO 31 HA PRO 31 -4.559 -2.992 0.867 239 HB2 PRO 31 1HB PRO 31 -2.152 -3.492 -0.508 240 HB3 PRO 31 2HB PRO 31 -2.732 -1.933 0.084 241 HG2 PRO 31 1HG PRO 31 -0.794 -3.827 1.319 242 HG3 PRO 31 2HG PRO 31 -0.829 -2.055 1.371 243 HD2 PRO 31 1HD PRO 31 -1.557 -3.507 3.486 244 HD3 PRO 31 2HD PRO 31 -2.429 -2.018 3.060 245 H ILE 32 H ILE 32 -2.566 -5.874 1.311 246 HA ILE 32 HA ILE 32 -3.242 -7.052 -1.149 247 HB ILE 32 HB ILE 32 -2.359 -8.518 1.335 248 HG12 ILE 32 1HG1 ILE 32 -0.879 -6.558 0.703 249 HG13 ILE 32 2HG1 ILE 32 -0.083 -8.127 0.707 250 HG21 ILE 32 1HG2 ILE 32 -1.595 -9.311 -1.425 251 HG22 ILE 32 2HG2 ILE 32 -1.855 -10.303 0.009 252 HG23 ILE 32 3HG2 ILE 32 -3.236 -9.654 -0.877 253 HD11 ILE 32 3HD1 ILE 32 0.062 -6.285 -1.285 254 HD12 ILE 32 1HD1 ILE 32 0.404 -8.007 -1.461 255 HD13 ILE 32 2HD1 ILE 32 -1.189 -7.373 -1.885 256 H CYS 33 H CYS 33 -4.625 -7.540 2.110 257 HA CYS 33 HA CYS 33 -6.594 -9.334 0.878 258 HB2 CYS 33 1HB CYS 33 -6.881 -10.312 3.130 259 HB3 CYS 33 2HB CYS 33 -5.236 -10.450 2.525 260 H ASP 34 H ASP 34 -6.300 -6.353 2.551 261 HA ASP 34 HA ASP 34 -7.785 -4.747 3.136 262 HB2 ASP 34 1HB ASP 34 -8.921 -5.403 0.965 263 HB3 ASP 34 2HB ASP 34 -9.982 -6.431 1.921 264 H SER 35 H SER 35 -7.165 -5.611 5.245 265 HA SER 35 HA SER 35 -9.471 -6.108 6.868 266 HB2 SER 35 1HB SER 35 -8.901 -8.401 6.005 267 HB3 SER 35 2HB SER 35 -7.325 -8.250 6.780 268 HG SER 35 HG SER 35 -9.881 -8.282 8.023 269 H TYR 36 H TYR 36 -9.073 -5.656 9.048 270 HA TYR 36 HA TYR 36 -6.655 -4.139 9.569 271 HB2 TYR 36 1HB TYR 36 -9.107 -4.695 11.255 272 HB3 TYR 36 2HB TYR 36 -7.746 -3.732 11.808 273 HD1 TYR 36 HD1 TYR 36 -9.641 -3.801 8.577 274 HD2 TYR 36 HD2 TYR 36 -8.381 -1.519 11.939 275 HE1 TYR 36 HE1 TYR 36 -10.684 -1.804 7.604 276 HE2 TYR 36 HE2 TYR 36 -9.418 0.488 10.969 277 HH TYR 36 HH TYR 36 -10.380 1.372 9.153 278 H VAL 37 H VAL 37 -6.126 -6.810 9.103 279 HA VAL 37 HA VAL 37 -5.713 -8.117 11.661 280 HB VAL 37 HB VAL 37 -6.462 -9.473 9.779 281 HG11 VAL 37 1HG1 VAL 37 -4.045 -8.349 8.464 282 HG12 VAL 37 2HG1 VAL 37 -4.589 -9.970 8.025 283 HG13 VAL 37 3HG1 VAL 37 -5.673 -8.590 7.827 284 HG21 VAL 37 3HG2 VAL 37 -5.436 -11.032 10.990 285 HG22 VAL 37 1HG2 VAL 37 -4.147 -10.946 9.790 286 HG23 VAL 37 2HG2 VAL 37 -4.029 -10.008 11.280 287 H ARG 38 H ARG 38 -3.644 -8.780 12.378 288 HA ARG 38 HA ARG 38 -1.934 -6.857 12.935 289 HB2 ARG 38 1HB ARG 38 -1.063 -9.700 12.438 290 HB3 ARG 38 2HB ARG 38 -0.195 -8.521 13.407 291 HG2 ARG 38 1HG ARG 38 -2.886 -9.727 13.992 292 HG3 ARG 38 2HG ARG 38 -1.373 -10.010 14.856 293 HD2 ARG 38 1HD ARG 38 -2.346 -8.468 16.244 294 HD3 ARG 38 2HD ARG 38 -1.454 -7.395 15.167 295 HE ARG 38 HE ARG 38 -4.127 -7.925 14.261 296 HH11 ARG 38 2HH1 ARG 38 -2.149 -5.885 16.309 297 HH12 ARG 38 1HH1 ARG 38 -3.353 -4.635 16.442 298 HH21 ARG 38 2HH2 ARG 38 -5.684 -6.268 14.391 299 HH22 ARG 38 1HH2 ARG 38 -5.358 -4.838 15.325 300 HA PRO 39 HA PRO 39 0.242 -5.970 9.078 301 HB2 PRO 39 1HB PRO 39 0.966 -3.488 9.758 302 HB3 PRO 39 2HB PRO 39 -0.692 -3.860 9.275 303 HG2 PRO 39 1HG PRO 39 0.435 -3.419 12.002 304 HG3 PRO 39 2HG PRO 39 -1.132 -2.924 11.341 305 HD2 PRO 39 1HD PRO 39 -0.690 -5.149 12.948 306 HD3 PRO 39 2HD PRO 39 -2.107 -4.895 11.913 307 H LYS 40 H LYS 40 2.482 -5.870 8.595 308 HA LYS 40 HA LYS 40 4.306 -5.843 10.889 309 HB2 LYS 40 1HB LYS 40 3.688 -8.204 10.389 310 HB3 LYS 40 2HB LYS 40 4.362 -8.000 8.777 311 HG2 LYS 40 1HG LYS 40 6.559 -7.630 9.682 312 HG3 LYS 40 2HG LYS 40 5.926 -7.662 11.328 313 HD2 LYS 40 1HD LYS 40 5.180 -10.010 10.919 314 HD3 LYS 40 2HD LYS 40 6.008 -9.946 9.362 315 HE2 LYS 40 1HE LYS 40 7.408 -11.016 11.047 316 HE3 LYS 40 2HE LYS 40 8.129 -9.500 10.506 317 HZ1 LYS 40 3HZ LYS 40 8.096 -9.964 12.992 318 HZ2 LYS 40 1HZ LYS 40 6.435 -9.637 12.927 319 HZ3 LYS 40 2HZ LYS 40 7.556 -8.439 12.488 320 H ARG 41 H ARG 41 4.336 -6.287 7.333 321 HA ARG 41 HA ARG 41 6.824 -4.774 7.200 322 HB2 ARG 41 1HB ARG 41 5.255 -6.372 5.194 323 HB3 ARG 41 2HB ARG 41 6.548 -5.298 4.685 324 HG2 ARG 41 1HG ARG 41 6.859 -7.588 6.612 325 HG3 ARG 41 2HG ARG 41 7.278 -7.628 4.898 326 HD2 ARG 41 1HD ARG 41 8.719 -5.538 5.500 327 HD3 ARG 41 2HD ARG 41 8.591 -6.162 7.144 328 HE ARG 41 HE ARG 41 9.391 -8.209 5.337 329 HH11 ARG 41 2HH1 ARG 41 10.568 -5.473 7.177 330 HH12 ARG 41 1HH1 ARG 41 12.241 -5.955 7.061 331 HH21 ARG 41 2HH2 ARG 41 11.589 -8.853 5.195 332 HH22 ARG 41 1HH2 ARG 41 12.813 -7.874 5.941 333 H LYS 42 H LYS 42 6.997 -2.706 6.533 334 HA LYS 42 HA LYS 42 4.626 -1.155 6.037 335 HB2 LYS 42 1HB LYS 42 6.682 -0.241 7.148 336 HB3 LYS 42 2HB LYS 42 7.514 -0.359 5.604 337 HG2 LYS 42 1HG LYS 42 5.943 1.212 4.616 338 HG3 LYS 42 2HG LYS 42 5.065 1.306 6.140 339 HD2 LYS 42 1HD LYS 42 7.939 2.117 5.722 340 HD3 LYS 42 2HD LYS 42 6.565 3.221 5.824 341 HE2 LYS 42 1HE LYS 42 6.107 2.266 8.104 342 HE3 LYS 42 2HE LYS 42 7.646 1.418 7.979 343 HZ1 LYS 42 3HZ LYS 42 8.179 4.048 7.347 344 HZ2 LYS 42 1HZ LYS 42 8.597 3.237 8.774 345 HZ3 LYS 42 2HZ LYS 42 7.145 4.113 8.689 346 H VAL 43 H VAL 43 3.795 -0.514 4.090 347 HA VAL 43 HA VAL 43 4.479 -2.098 1.843 348 HB VAL 43 HB VAL 43 2.785 -0.868 0.613 349 HG11 VAL 43 1HG1 VAL 43 1.012 -1.780 1.700 350 HG12 VAL 43 2HG1 VAL 43 2.323 -2.578 2.566 351 HG13 VAL 43 3HG1 VAL 43 1.523 -1.178 3.279 352 HG21 VAL 43 3HG2 VAL 43 2.074 0.832 2.929 353 HG22 VAL 43 1HG2 VAL 43 3.461 1.322 1.953 354 HG23 VAL 43 2HG2 VAL 43 1.878 1.124 1.200 355 H ARG 44 H ARG 44 5.517 -1.640 -0.022 356 HA ARG 44 HA ARG 44 6.844 0.979 -0.163 357 HB2 ARG 44 1HB ARG 44 7.838 -1.761 -0.771 358 HB3 ARG 44 2HB ARG 44 8.379 -0.454 -1.817 359 HG2 ARG 44 1HG ARG 44 9.991 -0.773 -0.079 360 HG3 ARG 44 2HG ARG 44 9.170 0.763 0.188 361 HD2 ARG 44 1HD ARG 44 7.625 -0.584 1.750 362 HD3 ARG 44 2HD ARG 44 8.891 -1.811 1.698 363 HE ARG 44 HE ARG 44 10.177 -0.502 3.061 364 HH11 ARG 44 2HH1 ARG 44 7.504 1.406 1.841 365 HH12 ARG 44 1HH1 ARG 44 7.975 2.858 2.673 366 HH21 ARG 44 2HH2 ARG 44 10.816 1.421 4.161 367 HH22 ARG 44 1HH2 ARG 44 9.862 2.866 3.977 368 H VAL 45 H VAL 45 5.953 2.222 -1.631 369 HA VAL 45 HA VAL 45 4.377 1.079 -3.763 370 HB VAL 45 HB VAL 45 3.958 3.275 -2.344 371 HG11 VAL 45 1HG1 VAL 45 5.967 4.442 -3.054 372 HG12 VAL 45 2HG1 VAL 45 5.411 4.373 -4.726 373 HG13 VAL 45 3HG1 VAL 45 4.506 5.307 -3.533 374 HG21 VAL 45 3HG2 VAL 45 2.607 4.136 -4.309 375 HG22 VAL 45 1HG2 VAL 45 3.235 2.730 -5.168 376 HG23 VAL 45 2HG2 VAL 45 2.278 2.514 -3.704 377 H CYS 46 H CYS 46 4.815 1.423 -5.961 378 HA CYS 46 HA CYS 46 7.598 1.386 -6.624 379 HB2 CYS 46 1HB CYS 46 6.975 0.959 -8.831 380 HB3 CYS 46 2HB CYS 46 5.634 0.267 -7.932 381 H GLU 47 H GLU 47 8.769 2.974 -7.689 382 HA GLU 47 HA GLU 47 8.407 5.582 -6.787 383 HB2 GLU 47 1HB GLU 47 10.555 4.620 -7.531 384 HB3 GLU 47 2HB GLU 47 9.983 4.656 -9.191 385 HG2 GLU 47 1HG GLU 47 9.839 7.077 -9.106 386 HG3 GLU 47 2HG GLU 47 10.380 7.058 -7.429 387 H ASN 48 H ASN 48 7.222 3.959 -9.588 388 HA ASN 48 HA ASN 48 6.453 6.145 -11.171 389 HB2 ASN 48 1HB ASN 48 5.526 3.290 -10.951 390 HB3 ASN 48 2HB ASN 48 4.710 4.426 -12.015 391 HD21 ASN 48 1HD2 ASN 48 7.461 2.456 -11.533 392 HD22 ASN 48 2HD2 ASN 48 8.251 2.805 -13.035 393 H CYS 49 H CYS 49 4.968 4.681 -8.340 394 HA CYS 49 HA CYS 49 2.625 6.438 -8.615 395 HB2 CYS 49 1HB CYS 49 3.207 4.238 -6.616 396 HB3 CYS 49 2HB CYS 49 1.781 5.271 -6.575 397 H SER 50 H SER 50 5.192 7.584 -8.141 398 HA SER 50 HA SER 50 4.622 8.836 -5.561 399 HB2 SER 50 1HB SER 50 6.373 7.056 -5.268 400 HB3 SER 50 2HB SER 50 7.414 7.983 -6.351 401 HG SER 50 HG SER 50 6.518 8.596 -3.753 402 H PHE 51 H PHE 51 6.783 9.004 -8.427 403 HA PHE 51 HA PHE 51 7.170 11.804 -8.098 404 HB2 PHE 51 1HB PHE 51 8.122 11.745 -10.411 405 HB3 PHE 51 2HB PHE 51 8.875 10.638 -9.280 406 HD1 PHE 51 HD1 PHE 51 5.955 10.479 -11.634 407 HD2 PHE 51 HD2 PHE 51 9.559 8.707 -10.238 408 HE1 PHE 51 HE1 PHE 51 5.683 8.653 -13.257 409 HE2 PHE 51 HE2 PHE 51 9.291 6.873 -11.857 410 HZ PHE 51 HZ PHE 51 7.351 6.849 -13.371 411 H GLY 52 H GLY 52 6.162 13.522 -8.964 412 HA2 GLY 52 2HA GLY 52 4.571 14.184 -10.878 413 HA3 GLY 52 1HA GLY 52 3.555 12.921 -10.197 414 H LYS 53 H LYS 53 1.875 13.978 -9.343 415 HA LYS 53 HA LYS 53 2.354 15.693 -7.060 416 HB2 LYS 53 1HB LYS 53 0.836 17.496 -8.054 417 HB3 LYS 53 2HB LYS 53 2.487 17.421 -8.654 418 HG2 LYS 53 1HG LYS 53 1.697 16.198 -10.629 419 HG3 LYS 53 2HG LYS 53 0.043 16.313 -10.024 420 HD2 LYS 53 1HD LYS 53 0.101 18.715 -10.181 421 HD3 LYS 53 2HD LYS 53 1.808 18.683 -10.625 422 HE2 LYS 53 1HE LYS 53 0.360 19.029 -12.577 423 HE3 LYS 53 2HE LYS 53 1.280 17.530 -12.691 424 HZ1 LYS 53 3HZ LYS 53 -0.578 16.251 -12.389 425 HZ2 LYS 53 1HZ LYS 53 -1.245 17.553 -13.244 426 HZ3 LYS 53 2HZ LYS 53 -1.436 17.460 -11.560 427 H GLN 54 H GLN 54 1.002 13.124 -7.714 428 HA GLN 54 HA GLN 54 -1.467 13.684 -6.275 429 HB2 GLN 54 1HB GLN 54 -1.448 12.246 -8.938 430 HB3 GLN 54 2HB GLN 54 -2.823 12.304 -7.840 431 HG2 GLN 54 1HG GLN 54 -2.995 14.672 -8.093 432 HG3 GLN 54 2HG GLN 54 -1.511 14.715 -9.043 433 HE21 GLN 54 1HE2 GLN 54 -1.842 14.947 -11.107 434 HE22 GLN 54 2HE2 GLN 54 -3.192 14.360 -12.010 435 H ALA 55 H ALA 55 1.029 12.431 -5.650 436 HA ALA 55 HA ALA 55 0.408 9.579 -5.573 437 HB1 ALA 55 3HB ALA 55 2.697 10.936 -6.080 438 HB2 ALA 55 1HB ALA 55 2.912 10.495 -4.384 439 HB3 ALA 55 2HB ALA 55 2.613 9.242 -5.590 440 H LYS 56 H LYS 56 -0.307 12.151 -3.706 441 HA LYS 56 HA LYS 56 0.318 11.068 -1.110 442 HB2 LYS 56 1HB LYS 56 -1.364 13.402 -2.005 443 HB3 LYS 56 2HB LYS 56 -1.305 12.889 -0.327 444 HG2 LYS 56 1HG LYS 56 0.241 14.608 -0.431 445 HG3 LYS 56 2HG LYS 56 1.236 13.157 -0.538 446 HD2 LYS 56 1HD LYS 56 1.972 14.830 -2.146 447 HD3 LYS 56 2HD LYS 56 1.333 13.408 -2.974 448 HE2 LYS 56 1HE LYS 56 0.563 15.481 -4.021 449 HE3 LYS 56 2HE LYS 56 -0.777 14.553 -3.354 450 HZ1 LYS 56 3HZ LYS 56 -1.034 16.045 -1.599 451 HZ2 LYS 56 1HZ LYS 56 -0.748 17.044 -2.938 452 HZ3 LYS 56 2HZ LYS 56 0.497 16.742 -1.823 453 H ASN 57 H ASN 57 -2.213 10.743 -3.411 454 HA ASN 57 HA ASN 57 -4.352 10.171 -1.730 455 HB2 ASN 57 1HB ASN 57 -3.865 9.036 -4.485 456 HB3 ASN 57 2HB ASN 57 -5.390 8.983 -3.620 457 HD21 ASN 57 1HD2 ASN 57 -3.847 10.519 -6.009 458 HD22 ASN 57 2HD2 ASN 57 -4.626 12.063 -5.936 459 H CYS 58 H CYS 58 -5.358 8.296 -1.195 460 HA CYS 58 HA CYS 58 -3.830 6.361 0.099 461 HB2 CYS 58 1HB CYS 58 -6.057 7.009 0.757 462 HB3 CYS 58 2HB CYS 58 -6.711 6.464 -0.775 463 H ILE 59 H ILE 59 -2.989 4.501 -0.533 464 HA ILE 59 HA ILE 59 -2.957 3.799 -3.285 465 HB ILE 59 HB ILE 59 -1.607 1.838 -2.522 466 HG12 ILE 59 1HG1 ILE 59 -2.106 3.080 0.198 467 HG13 ILE 59 2HG1 ILE 59 -2.587 1.470 -0.324 468 HG21 ILE 59 1HG2 ILE 59 -1.013 4.588 -2.526 469 HG22 ILE 59 2HG2 ILE 59 -0.157 3.887 -1.150 470 HG23 ILE 59 3HG2 ILE 59 0.096 3.238 -2.773 471 HD11 ILE 59 3HD1 ILE 59 0.179 1.598 -0.701 472 HD12 ILE 59 1HD1 ILE 59 -0.135 2.349 0.865 473 HD13 ILE 59 2HD1 ILE 59 -0.702 0.710 0.541 474 H ILE 60 H ILE 60 -4.720 2.591 -0.507 475 HA ILE 60 HA ILE 60 -5.469 0.132 -1.686 476 HB ILE 60 HB ILE 60 -6.493 1.615 0.715 477 HG12 ILE 60 1HG1 ILE 60 -4.981 -0.970 0.292 478 HG13 ILE 60 2HG1 ILE 60 -4.335 0.534 0.938 479 HG21 ILE 60 1HG2 ILE 60 -7.658 -0.810 -0.591 480 HG22 ILE 60 2HG2 ILE 60 -7.692 -0.651 1.165 481 HG23 ILE 60 3HG2 ILE 60 -8.474 0.565 0.154 482 HD11 ILE 60 3HD1 ILE 60 -5.695 0.315 2.912 483 HD12 ILE 60 1HD1 ILE 60 -6.472 -1.124 2.251 484 HD13 ILE 60 2HD1 ILE 60 -4.757 -1.157 2.665 485 H CYS 61 H CYS 61 -7.344 3.201 -1.336 486 HA CYS 61 HA CYS 61 -9.294 1.947 -3.108 487 HB2 CYS 61 1HB CYS 61 -10.885 3.677 -2.428 488 HB3 CYS 61 2HB CYS 61 -10.267 2.788 -1.041 489 H ASN 62 H ASN 62 -6.691 4.007 -3.177 490 HA ASN 62 HA ASN 62 -5.701 5.208 -4.808 491 HB2 ASN 62 1HB ASN 62 -5.910 4.239 -6.810 492 HB3 ASN 62 2HB ASN 62 -7.197 3.279 -6.108 493 HD21 ASN 62 1HD2 ASN 62 -9.148 3.410 -6.931 494 HD22 ASN 62 2HD2 ASN 62 -9.664 4.547 -8.119 495 H LEU 63 H LEU 63 -9.045 5.731 -4.311 496 HA LEU 63 HA LEU 63 -9.352 8.023 -5.896 497 HB2 LEU 63 1HB LEU 63 -10.884 6.229 -4.411 498 HB3 LEU 63 2HB LEU 63 -11.242 7.802 -3.736 499 HG LEU 63 HG LEU 63 -12.859 7.336 -5.437 500 HD11 LEU 63 1HD1 LEU 63 -10.766 9.321 -6.264 501 HD12 LEU 63 2HD1 LEU 63 -12.274 9.119 -7.157 502 HD13 LEU 63 3HD1 LEU 63 -12.311 9.619 -5.466 503 HD21 LEU 63 3HD2 LEU 63 -11.961 5.660 -6.758 504 HD22 LEU 63 1HD2 LEU 63 -11.949 7.052 -7.842 505 HD23 LEU 63 2HD2 LEU 63 -10.461 6.544 -7.041 506 H ASN 64 H ASN 64 -9.422 7.734 -2.359 507 HA ASN 64 HA ASN 64 -9.347 10.620 -2.140 508 HB2 ASN 64 1HB ASN 64 -9.793 8.430 -0.111 509 HB3 ASN 64 2HB ASN 64 -9.723 10.134 0.318 510 HD21 ASN 64 1HD2 ASN 64 -11.022 9.953 -2.703 511 HD22 ASN 64 2HD2 ASN 64 -12.702 9.944 -2.291 512 H VAL 65 H VAL 65 -7.881 11.786 -0.851 513 HA VAL 65 HA VAL 65 -5.182 11.006 -1.082 514 HB VAL 65 HB VAL 65 -6.237 13.110 0.808 515 HG11 VAL 65 1HG1 VAL 65 -3.818 13.792 -0.553 516 HG12 VAL 65 2HG1 VAL 65 -4.105 13.595 1.175 517 HG13 VAL 65 3HG1 VAL 65 -3.640 12.205 0.193 518 HG21 VAL 65 3HG2 VAL 65 -5.780 14.671 -1.161 519 HG22 VAL 65 1HG2 VAL 65 -5.836 13.221 -2.166 520 HG23 VAL 65 2HG2 VAL 65 -7.249 13.696 -1.223 521 H GLY 66 H GLY 66 -3.790 10.050 0.325 522 HA2 GLY 66 2HA GLY 66 -4.975 8.600 2.523 523 HA3 GLY 66 1HA GLY 66 -3.324 8.457 1.938 524 H VAL 67 H VAL 67 -2.973 8.352 4.316 525 HA VAL 67 HA VAL 67 -2.011 10.893 5.228 526 HB VAL 67 HB VAL 67 -4.308 11.121 5.938 527 HG11 VAL 67 1HG1 VAL 67 -4.859 8.708 6.053 528 HG12 VAL 67 2HG1 VAL 67 -4.001 8.638 7.593 529 HG13 VAL 67 3HG1 VAL 67 -5.437 9.649 7.429 530 HG21 VAL 67 3HG2 VAL 67 -2.115 11.465 7.517 531 HG22 VAL 67 1HG2 VAL 67 -3.731 12.073 7.875 532 HG23 VAL 67 2HG2 VAL 67 -3.190 10.543 8.566 533 H ASN 68 H ASN 68 -2.863 7.616 6.323 534 HA ASN 68 HA ASN 68 -0.304 7.543 7.779 535 HB2 ASN 68 1HB ASN 68 -2.819 5.904 8.101 536 HB3 ASN 68 2HB ASN 68 -1.308 5.512 8.916 537 HD21 ASN 68 1HD2 ASN 68 -4.131 6.681 9.613 538 HD22 ASN 68 2HD2 ASN 68 -3.738 7.947 10.727 539 H ASP 69 H ASP 69 1.234 6.040 7.380 540 HA ASP 69 HA ASP 69 1.337 4.902 4.781 541 HB2 ASP 69 1HB ASP 69 3.092 4.404 7.203 542 HB3 ASP 69 2HB ASP 69 3.465 3.881 5.564 543 H ALA 70 H ALA 70 0.907 2.924 4.042 544 HA ALA 70 HA ALA 70 -0.655 1.151 5.666 545 HB1 ALA 70 3HB ALA 70 -0.173 -0.229 3.357 546 HB2 ALA 70 1HB ALA 70 -1.505 0.901 3.616 547 HB3 ALA 70 2HB ALA 70 -0.021 1.451 2.833 548 H PHE 71 H PHE 71 -0.262 -1.053 6.053 549 HA PHE 71 HA PHE 71 2.495 -1.992 5.747 550 HB2 PHE 71 1HB PHE 71 0.869 -1.987 8.278 551 HB3 PHE 71 2HB PHE 71 2.092 -3.219 8.001 552 HD1 PHE 71 HD1 PHE 71 1.861 0.511 7.679 553 HD2 PHE 71 HD2 PHE 71 4.067 -2.858 9.049 554 HE1 PHE 71 HE1 PHE 71 3.579 2.012 8.595 555 HE2 PHE 71 HE2 PHE 71 5.784 -1.363 9.976 556 HZ PHE 71 HZ PHE 71 5.540 1.075 9.751 557 H TYR 72 H TYR 72 2.631 -4.065 5.054 558 HA TYR 72 HA TYR 72 0.239 -5.507 4.320 559 HB2 TYR 72 1HB TYR 72 3.052 -6.612 4.417 560 HB3 TYR 72 2HB TYR 72 1.690 -7.239 3.504 561 HD1 TYR 72 HD1 TYR 72 0.859 -5.926 1.510 562 HD2 TYR 72 HD2 TYR 72 4.508 -5.021 3.501 563 HE1 TYR 72 HE1 TYR 72 1.648 -4.735 -0.491 564 HE2 TYR 72 HE2 TYR 72 5.301 -3.814 1.514 565 HH TYR 72 HH TYR 72 3.690 -4.004 -1.520 566 H CYS 73 H CYS 73 -0.759 -7.068 5.496 567 HA CYS 73 HA CYS 73 -0.071 -7.377 8.232 568 HB2 CYS 73 1HB CYS 73 -2.013 -8.645 8.466 569 HB3 CYS 73 2HB CYS 73 -2.404 -7.539 7.156 570 H TRP 74 H TRP 74 0.357 -9.404 9.304 571 HA TRP 74 HA TRP 74 2.669 -10.638 8.404 572 HB2 TRP 74 1HB TRP 74 1.653 -10.553 10.764 573 HB3 TRP 74 2HB TRP 74 0.731 -11.958 10.268 574 HD1 TRP 74 HD1 TRP 74 2.106 -13.034 12.417 575 HE1 TRP 74 HE1 TRP 74 4.335 -14.321 12.432 576 HE3 TRP 74 HE3 TRP 74 3.908 -11.504 7.929 577 HZ2 TRP 74 HZ2 TRP 74 6.564 -14.643 10.738 578 HZ3 TRP 74 HZ3 TRP 74 6.106 -12.339 7.177 579 HH2 TRP 74 HH2 TRP 74 7.405 -13.878 8.560 580 H GLU 75 H GLU 75 -0.693 -11.733 8.115 581 HA GLU 75 HA GLU 75 -0.170 -14.279 7.132 582 HB2 GLU 75 1HB GLU 75 -2.483 -12.409 6.662 583 HB3 GLU 75 2HB GLU 75 -2.450 -14.044 6.014 584 HG2 GLU 75 1HG GLU 75 -2.372 -14.986 8.204 585 HG3 GLU 75 2HG GLU 75 -2.171 -13.394 8.934 586 H CYS 76 H CYS 76 -0.751 -11.311 5.240 587 HA CYS 76 HA CYS 76 -0.317 -12.542 2.727 588 HB2 CYS 76 1HB CYS 76 -0.137 -9.643 3.552 589 HB3 CYS 76 2HB CYS 76 -0.025 -10.198 1.887 590 H CYS 77 H CYS 77 1.803 -10.909 4.998 591 HA CYS 77 HA CYS 77 4.078 -10.772 3.321 592 HB2 CYS 77 1HB CYS 77 3.744 -9.447 5.419 593 HB3 CYS 77 2HB CYS 77 4.011 -10.922 6.342 594 HG CYS 77 HG CYS 77 6.317 -9.494 4.259 595 H ARG 78 H ARG 78 2.939 -13.158 5.654 596 HA ARG 78 HA ARG 78 5.195 -14.863 5.534 597 HB2 ARG 78 1HB ARG 78 3.509 -14.884 7.354 598 HB3 ARG 78 2HB ARG 78 2.330 -15.546 6.230 599 HG2 ARG 78 1HG ARG 78 3.162 -17.337 7.540 600 HG3 ARG 78 2HG ARG 78 3.849 -17.506 5.922 601 HD2 ARG 78 1HD ARG 78 5.924 -16.482 6.691 602 HD3 ARG 78 2HD ARG 78 5.237 -16.278 8.301 603 HE ARG 78 HE ARG 78 6.432 -18.621 7.236 604 HH11 ARG 78 2HH1 ARG 78 3.793 -17.597 9.325 605 HH12 ARG 78 1HH1 ARG 78 3.807 -19.059 10.264 606 HH21 ARG 78 2HH2 ARG 78 6.450 -20.532 8.482 607 HH22 ARG 78 1HH2 ARG 78 5.320 -20.720 9.793 608 H LEU 79 H LEU 79 2.047 -14.937 3.900 609 HA LEU 79 HA LEU 79 2.471 -17.314 2.456 610 HB2 LEU 79 1HB LEU 79 0.578 -15.043 2.307 611 HB3 LEU 79 2HB LEU 79 0.745 -16.018 0.860 612 HG LEU 79 HG LEU 79 0.087 -18.018 2.091 613 HD11 LEU 79 1HD1 LEU 79 0.506 -18.058 4.277 614 HD12 LEU 79 2HD1 LEU 79 0.546 -16.299 4.392 615 HD13 LEU 79 3HD1 LEU 79 -0.995 -17.152 4.459 616 HD21 LEU 79 3HD2 LEU 79 -1.628 -16.613 1.042 617 HD22 LEU 79 1HD2 LEU 79 -2.233 -17.443 2.476 618 HD23 LEU 79 2HD2 LEU 79 -1.817 -15.731 2.558 619 H GLY 80 H GLY 80 3.392 -14.013 1.829 620 HA2 GLY 80 2HA GLY 80 5.194 -13.436 0.403 621 HA3 GLY 80 1HA GLY 80 4.937 -14.930 -0.487 622 H LYS 81 H LYS 81 2.651 -12.386 0.436 623 HA LYS 81 HA LYS 81 1.944 -12.110 -2.402 624 HB2 LYS 81 1HB LYS 81 0.416 -11.332 0.090 625 HB3 LYS 81 2HB LYS 81 -0.134 -11.036 -1.554 626 HG2 LYS 81 1HG LYS 81 -0.116 -13.468 -1.965 627 HG3 LYS 81 2HG LYS 81 0.337 -13.721 -0.278 628 HD2 LYS 81 1HD LYS 81 -1.720 -12.688 0.464 629 HD3 LYS 81 2HD LYS 81 -2.162 -12.309 -1.201 630 HE2 LYS 81 1HE LYS 81 -1.849 -15.063 -0.009 631 HE3 LYS 81 2HE LYS 81 -3.366 -14.273 -0.435 632 HZ1 LYS 81 3HZ LYS 81 -2.068 -14.139 -2.754 633 HZ2 LYS 81 1HZ LYS 81 -3.094 -15.422 -2.331 634 HZ3 LYS 81 2HZ LYS 81 -1.414 -15.579 -2.140 635 H ASP 82 H ASP 82 3.310 -10.516 0.301 636 HA ASP 82 HA ASP 82 3.020 -7.819 -0.600 637 HB2 ASP 82 1HB ASP 82 4.719 -7.278 1.103 638 HB3 ASP 82 2HB ASP 82 3.433 -8.280 1.763 639 H LYS 83 H LYS 83 5.160 -10.414 -1.291 640 HA LYS 83 HA LYS 83 7.420 -9.019 -2.180 641 HB2 LYS 83 1HB LYS 83 8.054 -11.064 -3.308 642 HB3 LYS 83 2HB LYS 83 7.347 -11.461 -1.746 643 HG2 LYS 83 1HG LYS 83 5.390 -12.273 -2.693 644 HG3 LYS 83 2HG LYS 83 5.675 -11.446 -4.225 645 HD2 LYS 83 1HD LYS 83 7.652 -12.953 -4.555 646 HD3 LYS 83 2HD LYS 83 7.110 -13.859 -3.138 647 HE2 LYS 83 1HE LYS 83 6.337 -14.884 -5.226 648 HE3 LYS 83 2HE LYS 83 4.991 -14.333 -4.228 649 HZ1 LYS 83 3HZ LYS 83 4.597 -12.518 -5.635 650 HZ2 LYS 83 1HZ LYS 83 4.884 -13.816 -6.688 651 HZ3 LYS 83 2HZ LYS 83 6.099 -12.665 -6.412 652 H ASP 84 H ASP 84 4.372 -9.665 -3.703 653 HA ASP 84 HA ASP 84 4.975 -9.625 -6.357 654 HB2 ASP 84 1HB ASP 84 2.545 -8.511 -4.954 655 HB3 ASP 84 2HB ASP 84 2.661 -8.661 -6.704 656 H GLY 85 H GLY 85 4.299 -6.762 -4.349 657 HA2 GLY 85 2HA GLY 85 6.227 -5.150 -4.953 658 HA3 GLY 85 1HA GLY 85 5.404 -5.094 -6.500 659 H CYS 86 H CYS 86 4.821 -3.074 -6.559 660 HA CYS 86 HA CYS 86 4.016 -1.378 -4.553 661 HB2 CYS 86 1HB CYS 86 4.689 -0.760 -6.851 662 HB3 CYS 86 2HB CYS 86 3.168 -1.396 -7.457 663 HA PRO 87 HA PRO 87 -0.036 -3.153 -3.719 664 HB2 PRO 87 1HB PRO 87 -0.489 -1.893 -1.405 665 HB3 PRO 87 2HB PRO 87 0.731 -3.168 -1.532 666 HG2 PRO 87 1HG PRO 87 1.090 -0.193 -1.547 667 HG3 PRO 87 2HG PRO 87 2.028 -1.426 -0.685 668 HD2 PRO 87 1HD PRO 87 2.808 -0.290 -3.055 669 HD3 PRO 87 2HD PRO 87 3.308 -1.907 -2.522 670 H ARG 88 H ARG 88 0.452 -0.526 -5.295 671 HA ARG 88 HA ARG 88 -1.707 1.188 -4.538 672 HB2 ARG 88 1HB ARG 88 0.507 1.201 -6.380 673 HB3 ARG 88 2HB ARG 88 -0.965 1.700 -7.199 674 HG2 ARG 88 1HG ARG 88 -0.175 2.907 -4.583 675 HG3 ARG 88 2HG ARG 88 0.504 3.481 -6.107 676 HD2 ARG 88 1HD ARG 88 -1.818 3.805 -6.943 677 HD3 ARG 88 2HD ARG 88 -2.402 3.380 -5.335 678 HE ARG 88 HE ARG 88 -0.589 5.419 -4.961 679 HH11 ARG 88 2HH1 ARG 88 -3.607 4.999 -6.707 680 HH12 ARG 88 1HH1 ARG 88 -4.060 6.667 -6.569 681 HH21 ARG 88 2HH2 ARG 88 -1.194 7.591 -4.763 682 HH22 ARG 88 1HH2 ARG 88 -2.680 8.145 -5.465 683 H ILE 89 H ILE 89 -3.783 0.891 -5.005 684 HA ILE 89 HA ILE 89 -4.608 -1.043 -7.000 685 HB ILE 89 HB ILE 89 -6.100 0.720 -5.077 686 HG12 ILE 89 1HG1 ILE 89 -5.209 -1.421 -4.267 687 HG13 ILE 89 2HG1 ILE 89 -6.971 -1.433 -4.278 688 HG21 ILE 89 1HG2 ILE 89 -7.205 -0.665 -7.493 689 HG22 ILE 89 2HG2 ILE 89 -8.191 -0.425 -6.050 690 HG23 ILE 89 3HG2 ILE 89 -7.520 0.966 -6.897 691 HD11 ILE 89 3HD1 ILE 89 -6.278 -3.537 -5.085 692 HD12 ILE 89 1HD1 ILE 89 -6.822 -2.633 -6.498 693 HD13 ILE 89 2HD1 ILE 89 -5.098 -2.814 -6.177 694 H LEU 90 H LEU 90 -5.154 -0.602 -9.026 695 HA LEU 90 HA LEU 90 -6.061 1.949 -9.917 696 HB2 LEU 90 1HB LEU 90 -4.055 2.024 -11.628 697 HB3 LEU 90 2HB LEU 90 -3.951 2.800 -10.062 698 HG LEU 90 HG LEU 90 -2.789 0.678 -9.253 699 HD11 LEU 90 1HD1 LEU 90 -2.334 -1.010 -10.623 700 HD12 LEU 90 2HD1 LEU 90 -3.485 -0.282 -11.746 701 HD13 LEU 90 3HD1 LEU 90 -1.763 0.073 -11.892 702 HD21 LEU 90 3HD2 LEU 90 -1.530 2.507 -11.282 703 HD22 LEU 90 1HD2 LEU 90 -1.554 2.691 -9.529 704 HD23 LEU 90 2HD2 LEU 90 -0.617 1.392 -10.267 705 H ASN 91 H ASN 91 -7.194 -0.475 -9.967 706 HA ASN 91 HA ASN 91 -6.952 -2.339 -11.804 707 HB2 ASN 91 1HB ASN 91 -8.841 -2.051 -10.193 708 HB3 ASN 91 2HB ASN 91 -9.587 -0.965 -11.347 709 HD21 ASN 91 1HD2 ASN 91 -9.539 -4.001 -10.256 710 HD22 ASN 91 2HD2 ASN 91 -10.212 -4.800 -11.616 711 H LEU 92 H LEU 92 -6.001 -1.831 -13.689 712 HA LEU 92 HA LEU 92 -7.387 -1.755 -15.968 713 HB2 LEU 92 1HB LEU 92 -8.163 0.522 -15.179 714 HB3 LEU 92 2HB LEU 92 -6.521 1.086 -15.443 715 HG LEU 92 HG LEU 92 -6.749 0.414 -17.844 716 HD11 LEU 92 1HD1 LEU 92 -9.470 0.415 -18.241 717 HD12 LEU 92 2HD1 LEU 92 -8.410 -0.993 -18.315 718 HD13 LEU 92 3HD1 LEU 92 -9.267 -0.612 -16.820 719 HD21 LEU 92 3HD2 LEU 92 -7.477 2.477 -18.356 720 HD22 LEU 92 1HD2 LEU 92 -8.977 2.288 -17.447 721 HD23 LEU 92 2HD2 LEU 92 -7.482 2.709 -16.609 722 H GLY 93 H GLY 93 -5.915 -2.627 -17.279 723 HA2 GLY 93 2HA GLY 93 -3.193 -2.719 -16.700 724 HA3 GLY 93 1HA GLY 93 -3.892 -3.124 -18.258 725 H SER 94 H SER 94 -4.816 -0.780 -19.188 726 HA SER 94 HA SER 94 -2.940 1.358 -18.840 727 HB2 SER 94 1HB SER 94 -2.997 -0.076 -21.512 728 HB3 SER 94 2HB SER 94 -2.142 1.427 -21.170 729 HG SER 94 HG SER 94 -1.391 -0.331 -19.343 730 H ASN 95 H ASN 95 -4.030 3.202 -19.111 731 HA ASN 95 HA ASN 95 -6.723 3.124 -20.138 732 HB2 ASN 95 1HB ASN 95 -5.994 4.544 -18.185 733 HB3 ASN 95 2HB ASN 95 -5.109 5.548 -19.328 734 HD21 ASN 95 1HD2 ASN 95 -8.056 4.184 -20.449 735 HD22 ASN 95 2HD2 ASN 95 -9.008 5.624 -20.345 736 H ARG 96 H ARG 96 -6.948 2.983 -22.288 737 HA ARG 96 HA ARG 96 -5.046 4.156 -24.089 738 HB2 ARG 96 1HB ARG 96 -6.028 2.915 -25.729 739 HB3 ARG 96 2HB ARG 96 -6.602 2.010 -24.340 740 HG2 ARG 96 1HG ARG 96 -8.160 4.128 -25.804 741 HG3 ARG 96 2HG ARG 96 -8.347 2.386 -26.009 742 HD2 ARG 96 1HD ARG 96 -8.726 3.824 -23.396 743 HD3 ARG 96 2HD ARG 96 -10.039 3.476 -24.519 744 HE ARG 96 HE ARG 96 -8.870 1.692 -22.651 745 HH11 ARG 96 2HH1 ARG 96 -10.201 1.762 -25.899 746 HH12 ARG 96 1HH1 ARG 96 -10.754 0.112 -25.842 747 HH21 ARG 96 2HH2 ARG 96 -9.553 -0.485 -22.595 748 HH22 ARG 96 1HH2 ARG 96 -10.397 -1.155 -23.962 749 H LEU 97 H LEU 97 -5.994 5.475 -26.006 750 HA LEU 97 HA LEU 97 -6.853 7.436 -26.763 751 HB2 LEU 97 1HB LEU 97 -8.965 7.045 -24.638 752 HB3 LEU 97 2HB LEU 97 -9.060 8.154 -25.992 753 HG LEU 97 HG LEU 97 -9.038 5.137 -26.160 754 HD11 LEU 97 1HD1 LEU 97 -11.132 7.047 -25.775 755 HD12 LEU 97 2HD1 LEU 97 -11.322 6.272 -27.349 756 HD13 LEU 97 3HD1 LEU 97 -11.232 5.290 -25.886 757 HD21 LEU 97 3HD2 LEU 97 -9.393 5.428 -28.543 758 HD22 LEU 97 1HD2 LEU 97 -9.298 7.182 -28.364 759 HD23 LEU 97 2HD2 LEU 97 -7.876 6.185 -28.055 760 H ASP 98 H ASP 98 -4.806 7.516 -24.857 761 HA ASP 98 HA ASP 98 -5.464 9.739 -23.078 762 HB2 ASP 98 1HB ASP 98 -4.101 7.746 -22.313 763 HB3 ASP 98 2HB ASP 98 -2.814 8.314 -23.370 764 H ARG 99 H ARG 99 -4.367 11.742 -23.168 765 HA ARG 99 HA ARG 99 -3.649 12.539 -25.843 766 HB2 ARG 99 1HB ARG 99 -5.030 13.982 -24.383 767 HB3 ARG 99 2HB ARG 99 -3.656 14.176 -23.302 768 HG2 ARG 99 1HG ARG 99 -2.445 15.420 -24.887 769 HG3 ARG 99 2HG ARG 99 -3.522 14.944 -26.202 770 HD2 ARG 99 1HD ARG 99 -4.398 16.591 -23.835 771 HD3 ARG 99 2HD ARG 99 -3.836 17.288 -25.356 772 HE ARG 99 HE ARG 99 -6.383 16.028 -24.835 773 HH11 ARG 99 2HH1 ARG 99 -4.102 17.075 -27.286 774 HH12 ARG 99 1HH1 ARG 99 -5.254 16.976 -28.591 775 HH21 ARG 99 2HH2 ARG 99 -7.900 15.892 -26.544 776 HH22 ARG 99 1HH2 ARG 99 -7.420 16.331 -28.159 777 H HIS 100 H HIS 100 -1.825 10.906 -25.684 778 HA HIS 100 HA HIS 100 0.609 12.422 -25.184 779 HB2 HIS 100 1HB HIS 100 0.209 11.056 -23.111 780 HB3 HIS 100 2HB HIS 100 0.293 9.610 -24.105 781 HD1 HIS 100 HD1 HIS 100 2.541 12.673 -23.667 782 HD2 HIS 100 HD2 HIS 100 2.750 8.518 -23.891 783 HE1 HIS 100 HE1 HIS 100 4.984 12.095 -23.428 784 HE2 HIS 100 HE2 HIS 100 5.103 9.588 -23.694 785 H PHE 101 H PHE 101 -0.538 9.174 -26.034 786 HA PHE 101 HA PHE 101 -0.171 7.826 -27.814 787 HB2 PHE 101 1HB PHE 101 0.682 10.420 -29.018 788 HB3 PHE 101 2HB PHE 101 1.141 8.929 -29.830 789 HD1 PHE 101 HD2 PHE 101 -1.924 10.348 -28.223 790 HD2 PHE 101 HD1 PHE 101 -0.218 8.278 -31.524 791 HE1 PHE 101 HE2 PHE 101 -4.134 10.250 -29.300 792 HE2 PHE 101 HE1 PHE 101 -2.423 8.178 -32.610 793 HZ PHE 101 HZ PHE 101 -4.386 9.163 -31.495 794 H GLU 102 H GLU 102 1.341 6.329 -28.192 795 HA GLU 102 HA GLU 102 4.158 6.942 -27.881 796 HB2 GLU 102 1HB GLU 102 3.296 6.525 -25.561 797 HB3 GLU 102 2HB GLU 102 2.818 4.913 -26.076 798 HG2 GLU 102 1HG GLU 102 4.892 4.795 -24.875 799 HG3 GLU 102 2HG GLU 102 5.166 4.385 -26.566 800 H LYS 103 H LYS 103 2.616 6.221 -30.055 801 HA LYS 103 HA LYS 103 3.371 3.426 -30.592 802 HB2 LYS 103 1HB LYS 103 1.575 5.208 -32.257 803 HB3 LYS 103 2HB LYS 103 1.800 3.470 -32.422 804 HG2 LYS 103 1HG LYS 103 0.704 3.087 -30.308 805 HG3 LYS 103 2HG LYS 103 0.550 4.824 -30.042 806 HD2 LYS 103 1HD LYS 103 -1.553 3.961 -30.840 807 HD3 LYS 103 2HD LYS 103 -0.830 4.968 -32.092 808 HE2 LYS 103 1HE LYS 103 0.026 2.923 -33.189 809 HE3 LYS 103 2HE LYS 103 -0.811 1.957 -31.976 810 HZ1 LYS 103 3HZ LYS 103 -2.907 2.766 -32.742 811 HZ2 LYS 103 1HZ LYS 103 -2.039 2.219 -34.095 812 HZ3 LYS 103 2HZ LYS 103 -2.166 3.879 -33.784 813 H LYS 104 H LYS 104 3.151 4.268 -33.564 814 HA LYS 104 HA LYS 104 5.871 5.350 -33.764 815 HB2 LYS 104 1HB LYS 104 5.099 3.259 -35.058 816 HB3 LYS 104 2HB LYS 104 4.189 4.375 -36.065 817 HG2 LYS 104 1HG LYS 104 6.277 5.544 -36.623 818 HG3 LYS 104 2HG LYS 104 7.172 4.369 -35.660 819 HD2 LYS 104 1HD LYS 104 6.379 2.572 -37.117 820 HD3 LYS 104 2HD LYS 104 5.477 3.746 -38.077 821 HE2 LYS 104 1HE LYS 104 7.634 4.907 -38.545 822 HE3 LYS 104 2HE LYS 104 8.462 3.580 -37.737 823 HZ1 LYS 104 3HZ LYS 104 6.620 2.711 -39.766 824 HZ2 LYS 104 1HZ LYS 104 8.242 2.273 -39.515 825 HZ3 LYS 104 2HZ LYS 104 7.865 3.687 -40.373 826 H LYS 105 H LYS 105 3.743 6.937 -32.847 827 HA LYS 105 HA LYS 105 4.017 9.258 -34.416 828 HB2 LYS 105 1HB LYS 105 2.391 8.122 -35.886 829 HB3 LYS 105 2HB LYS 105 1.299 7.911 -34.525 830 HG2 LYS 105 1HG LYS 105 1.093 10.349 -34.327 831 HG3 LYS 105 2HG LYS 105 2.160 10.539 -35.719 832 HD2 LYS 105 1HD LYS 105 -0.132 10.763 -36.433 833 HD3 LYS 105 2HD LYS 105 0.537 9.267 -37.087 834 HE2 LYS 105 1HE LYS 105 -0.563 7.987 -35.339 835 HE3 LYS 105 2HE LYS 105 -1.181 9.471 -34.616 836 HZ1 LYS 105 3HZ LYS 105 -2.658 8.065 -36.208 837 HZ2 LYS 105 1HZ LYS 105 -1.810 8.887 -37.424 838 HZ3 LYS 105 2HZ LYS 105 -2.707 9.759 -36.279 839 H LYS 106 H LYS 106 3.990 10.803 -32.944 840 HA LYS 106 HA LYS 106 1.954 11.059 -30.955 841 HB2 LYS 106 1HB LYS 106 3.490 10.866 -29.003 842 HB3 LYS 106 2HB LYS 106 3.189 9.340 -29.816 843 HG2 LYS 106 1HG LYS 106 5.356 9.573 -30.979 844 HG3 LYS 106 2HG LYS 106 5.664 11.038 -30.041 845 HD2 LYS 106 1HD LYS 106 5.459 9.734 -27.968 846 HD3 LYS 106 2HD LYS 106 5.205 8.274 -28.923 847 HE2 LYS 106 1HE LYS 106 7.426 8.575 -29.933 848 HE3 LYS 106 2HE LYS 106 7.671 10.004 -28.928 849 HZ1 LYS 106 3HZ LYS 106 7.933 7.232 -28.252 850 HZ2 LYS 106 1HZ LYS 106 6.964 8.077 -27.146 851 HZ3 LYS 106 2HZ LYS 106 8.549 8.602 -27.463 852 H VAL 107 H VAL 107 2.866 12.665 -32.992 853 HA VAL 107 HA VAL 107 3.562 15.033 -31.506 854 HB VAL 107 HB VAL 107 5.774 14.052 -32.161 855 HG11 VAL 107 1HG1 VAL 107 5.888 13.085 -34.160 856 HG12 VAL 107 2HG1 VAL 107 4.481 13.961 -34.761 857 HG13 VAL 107 3HG1 VAL 107 6.071 14.717 -34.804 858 HG21 VAL 107 3HG2 VAL 107 4.842 16.743 -32.983 859 HG22 VAL 107 1HG2 VAL 107 6.059 16.276 -31.794 860 HG23 VAL 107 2HG2 VAL 107 6.447 16.238 -33.515 Start of MODEL 17 1 H1 GLY -1 1H GLY -1 -16.033 11.194 -11.408 2 H2 GLY -1 2H GLY -1 -14.804 11.350 -12.568 3 H3 GLY -1 3H GLY -1 -14.513 11.794 -10.956 4 HA2 GLY -1 1HA GLY -1 -15.050 9.046 -11.934 5 HA3 GLY -1 2HA GLY -1 -13.485 9.677 -11.435 6 H GLY 0 H GLY 0 -12.968 8.749 -9.564 7 HA2 GLY 0 2HA GLY 0 -13.064 8.356 -7.292 8 HA3 GLY 0 1HA GLY 0 -14.602 9.206 -7.245 9 H SER 1 H SER 1 -16.061 7.944 -6.372 10 HA SER 1 HA SER 1 -17.287 6.155 -5.760 11 HB2 SER 1 1HB SER 1 -18.045 4.660 -7.619 12 HB3 SER 1 2HB SER 1 -18.229 6.377 -7.965 13 HG SER 1 HG SER 1 -15.807 5.541 -8.780 14 H SER 2 H SER 2 -14.771 5.887 -4.894 15 HA SER 2 HA SER 2 -13.491 3.455 -5.626 16 HB2 SER 2 1HB SER 2 -13.188 4.636 -2.894 17 HB3 SER 2 2HB SER 2 -11.957 3.979 -3.974 18 HG SER 2 HG SER 2 -12.068 5.840 -5.215 19 H ARG 3 H ARG 3 -13.749 1.411 -4.844 20 HA ARG 3 HA ARG 3 -15.070 0.736 -2.440 21 HB2 ARG 3 1HB ARG 3 -17.155 -0.169 -3.324 22 HB3 ARG 3 2HB ARG 3 -17.052 1.551 -3.672 23 HG2 ARG 3 1HG ARG 3 -16.113 0.795 -5.954 24 HG3 ARG 3 2HG ARG 3 -16.820 -0.768 -5.537 25 HD2 ARG 3 1HD ARG 3 -18.240 1.875 -5.773 26 HD3 ARG 3 2HD ARG 3 -18.410 0.475 -6.830 27 HE ARG 3 HE ARG 3 -19.081 -0.359 -4.265 28 HH11 ARG 3 2HH1 ARG 3 -20.225 1.900 -6.673 29 HH12 ARG 3 1HH1 ARG 3 -21.875 1.844 -6.136 30 HH21 ARG 3 2HH2 ARG 3 -21.258 -0.456 -3.562 31 HH22 ARG 3 1HH2 ARG 3 -22.467 0.491 -4.374 32 H HIS 4 H HIS 4 -15.363 -1.574 -2.217 33 HA HIS 4 HA HIS 4 -14.759 -3.754 -2.442 34 HB2 HIS 4 1HB HIS 4 -13.866 -3.055 -5.251 35 HB3 HIS 4 2HB HIS 4 -14.017 -4.678 -4.587 36 HD1 HIS 4 HD1 HIS 4 -16.720 -4.941 -3.534 37 HD2 HIS 4 HD2 HIS 4 -15.945 -2.556 -6.854 38 HE1 HIS 4 HE1 HIS 4 -18.917 -4.707 -4.731 39 HE2 HIS 4 HE2 HIS 4 -18.465 -3.107 -6.625 40 H GLN 5 H GLN 5 -12.842 -5.026 -2.203 41 HA GLN 5 HA GLN 5 -10.268 -3.761 -2.572 42 HB2 GLN 5 1HB GLN 5 -11.320 -2.839 -0.412 43 HB3 GLN 5 2HB GLN 5 -11.068 -4.447 0.250 44 HG2 GLN 5 1HG GLN 5 -9.283 -2.884 0.855 45 HG3 GLN 5 2HG GLN 5 -8.686 -4.254 -0.079 46 HE21 GLN 5 1HE2 GLN 5 -7.112 -3.623 -1.363 47 HE22 GLN 5 2HE2 GLN 5 -7.079 -2.159 -2.285 48 H PHE 6 H PHE 6 -11.526 -6.137 -3.505 49 HA PHE 6 HA PHE 6 -10.751 -8.480 -2.159 50 HB2 PHE 6 1HB PHE 6 -10.817 -8.068 -5.159 51 HB3 PHE 6 2HB PHE 6 -10.962 -9.597 -4.306 52 HD1 PHE 6 HD1 PHE 6 -12.659 -6.461 -5.169 53 HD2 PHE 6 HD2 PHE 6 -13.043 -10.303 -3.382 54 HE1 PHE 6 HE1 PHE 6 -15.106 -6.229 -5.204 55 HE2 PHE 6 HE2 PHE 6 -15.491 -10.075 -3.410 56 HZ PHE 6 HZ PHE 6 -16.524 -8.038 -4.326 57 H ASP 7 H ASP 7 -9.241 -6.726 -4.768 58 HA ASP 7 HA ASP 7 -6.643 -6.519 -3.991 59 HB2 ASP 7 1HB ASP 7 -6.827 -9.135 -4.098 60 HB3 ASP 7 2HB ASP 7 -6.762 -8.883 -5.845 61 H LEU 8 H LEU 8 -7.790 -4.772 -5.122 62 HA LEU 8 HA LEU 8 -8.560 -5.021 -7.793 63 HB2 LEU 8 1HB LEU 8 -7.926 -2.466 -6.341 64 HB3 LEU 8 2HB LEU 8 -9.014 -2.676 -7.703 65 HG LEU 8 HG LEU 8 -9.408 -3.851 -4.963 66 HD11 LEU 8 1HD1 LEU 8 -10.200 -1.301 -6.186 67 HD12 LEU 8 2HD1 LEU 8 -11.498 -2.182 -5.378 68 HD13 LEU 8 3HD1 LEU 8 -10.040 -1.747 -4.487 69 HD21 LEU 8 3HD2 LEU 8 -11.529 -3.705 -7.054 70 HD22 LEU 8 1HD2 LEU 8 -10.339 -5.005 -7.121 71 HD23 LEU 8 2HD2 LEU 8 -11.363 -4.818 -5.696 72 H ILE 9 H ILE 9 -6.554 -6.060 -8.270 73 HA ILE 9 HA ILE 9 -4.386 -6.247 -8.949 74 HB ILE 9 HB ILE 9 -5.851 -4.797 -11.147 75 HG12 ILE 9 1HG1 ILE 9 -6.038 -7.033 -12.120 76 HG13 ILE 9 2HG1 ILE 9 -5.076 -7.714 -10.817 77 HG21 ILE 9 1HG2 ILE 9 -3.426 -4.517 -11.411 78 HG22 ILE 9 2HG2 ILE 9 -3.223 -6.265 -11.276 79 HG23 ILE 9 3HG2 ILE 9 -4.099 -5.583 -12.647 80 HD11 ILE 9 3HD1 ILE 9 -6.818 -7.399 -9.253 81 HD12 ILE 9 1HD1 ILE 9 -7.746 -6.415 -10.386 82 HD13 ILE 9 2HD1 ILE 9 -7.531 -8.140 -10.689 83 H MET 10 H MET 10 -3.380 -5.084 -7.372 84 HA MET 10 HA MET 10 -2.687 -2.357 -7.709 85 HB2 MET 10 1HB MET 10 -0.898 -2.862 -6.000 86 HB3 MET 10 2HB MET 10 -2.554 -3.171 -5.507 87 HG2 MET 10 1HG MET 10 -2.230 -5.555 -5.950 88 HG3 MET 10 2HG MET 10 -0.558 -5.230 -6.408 89 HE1 MET 10 3HE MET 10 -3.126 -4.268 -3.920 90 HE2 MET 10 1HE MET 10 -2.509 -4.776 -2.345 91 HE3 MET 10 2HE MET 10 -2.014 -3.225 -3.029 92 H CYS 11 H CYS 11 -0.899 -1.406 -8.420 93 HA CYS 11 HA CYS 11 0.129 -2.223 -10.802 94 HB2 CYS 11 1HB CYS 11 0.245 0.023 -10.492 95 HB3 CYS 11 2HB CYS 11 0.752 -0.120 -8.819 96 H LEU 12 H LEU 12 1.670 -2.575 -7.642 97 HA LEU 12 HA LEU 12 3.507 -3.723 -6.931 98 HB2 LEU 12 1HB LEU 12 2.281 -5.578 -8.950 99 HB3 LEU 12 2HB LEU 12 3.541 -6.064 -7.831 100 HG LEU 12 HG LEU 12 0.826 -5.021 -7.033 101 HD11 LEU 12 1HD1 LEU 12 1.809 -7.814 -6.660 102 HD12 LEU 12 2HD1 LEU 12 0.155 -7.198 -6.665 103 HD13 LEU 12 3HD1 LEU 12 1.055 -7.317 -8.176 104 HD21 LEU 12 3HD2 LEU 12 2.917 -4.710 -5.510 105 HD22 LEU 12 1HD2 LEU 12 1.419 -5.343 -4.826 106 HD23 LEU 12 2HD2 LEU 12 2.737 -6.443 -5.230 107 H LYS 13 H LYS 13 4.543 -1.894 -8.731 108 HA LYS 13 HA LYS 13 6.424 -3.420 -10.371 109 HB2 LYS 13 1HB LYS 13 6.118 -0.442 -9.982 110 HB3 LYS 13 2HB LYS 13 7.343 -1.189 -10.995 111 HG2 LYS 13 1HG LYS 13 5.446 -2.240 -12.289 112 HG3 LYS 13 2HG LYS 13 4.375 -1.149 -11.402 113 HD2 LYS 13 1HD LYS 13 6.157 0.638 -12.170 114 HD3 LYS 13 2HD LYS 13 6.423 -0.541 -13.457 115 HE2 LYS 13 1HE LYS 13 3.693 0.449 -12.718 116 HE3 LYS 13 2HE LYS 13 4.724 1.278 -13.869 117 HZ1 LYS 13 3HZ LYS 13 4.130 -0.141 -15.446 118 HZ2 LYS 13 1HZ LYS 13 3.016 -0.836 -14.371 119 HZ3 LYS 13 2HZ LYS 13 4.582 -1.474 -14.505 120 H GLN 14 H GLN 14 8.609 -1.511 -9.958 121 HA GLN 14 HA GLN 14 9.733 -2.673 -7.574 122 HB2 GLN 14 1HB GLN 14 10.715 -0.921 -9.779 123 HB3 GLN 14 2HB GLN 14 11.617 -0.978 -8.278 124 HG2 GLN 14 1HG GLN 14 10.969 -3.284 -10.091 125 HG3 GLN 14 2HG GLN 14 12.555 -2.558 -9.814 126 HE21 GLN 14 1HE2 GLN 14 10.677 -5.124 -9.079 127 HE22 GLN 14 2HE2 GLN 14 11.373 -5.582 -7.560 128 HA PRO 15 HA PRO 15 8.070 0.655 -5.105 129 HB2 PRO 15 1HB PRO 15 9.373 -0.683 -2.869 130 HB3 PRO 15 2HB PRO 15 7.651 -0.449 -3.179 131 HG2 PRO 15 1HG PRO 15 8.869 -2.870 -3.324 132 HG3 PRO 15 2HG PRO 15 7.455 -2.438 -4.301 133 HD2 PRO 15 1HD PRO 15 10.338 -2.540 -5.075 134 HD3 PRO 15 2HD PRO 15 8.901 -3.013 -6.006 135 H GLY 16 H GLY 16 8.865 2.513 -4.273 136 HA2 GLY 16 2HA GLY 16 11.769 2.890 -4.320 137 HA3 GLY 16 1HA GLY 16 10.554 4.153 -4.160 138 H VAL 17 H VAL 17 11.196 5.127 -2.326 139 HA VAL 17 HA VAL 17 11.511 3.458 0.075 140 HB VAL 17 HB VAL 17 13.369 5.040 -0.428 141 HG11 VAL 17 1HG1 VAL 17 11.505 6.817 -1.162 142 HG12 VAL 17 2HG1 VAL 17 11.811 7.368 0.486 143 HG13 VAL 17 3HG1 VAL 17 13.139 7.265 -0.673 144 HG21 VAL 17 3HG2 VAL 17 12.962 6.298 1.951 145 HG22 VAL 17 1HG2 VAL 17 11.864 4.925 2.080 146 HG23 VAL 17 2HG2 VAL 17 13.578 4.655 1.769 147 H GLN 18 H GLN 18 9.523 5.822 -1.469 148 HA GLN 18 HA GLN 18 8.174 6.897 0.730 149 HB2 GLN 18 1HB GLN 18 7.232 6.470 -2.105 150 HB3 GLN 18 2HB GLN 18 6.352 7.406 -0.905 151 HG2 GLN 18 1HG GLN 18 8.424 8.833 -0.685 152 HG3 GLN 18 2HG GLN 18 9.030 8.004 -2.119 153 HE21 GLN 18 1HE2 GLN 18 8.851 9.308 -3.789 154 HE22 GLN 18 2HE2 GLN 18 7.479 10.294 -4.173 155 H THR 19 H THR 19 6.672 6.184 2.044 156 HA THR 19 HA THR 19 5.762 3.461 1.906 157 HB THR 19 HB THR 19 4.672 5.545 3.783 158 HG1 THR 19 HG1 THR 19 6.480 4.994 5.164 159 HG21 THR 19 1HG2 THR 19 4.748 3.563 5.343 160 HG22 THR 19 2HG2 THR 19 5.158 2.575 3.939 161 HG23 THR 19 3HG2 THR 19 3.615 3.428 3.996 162 H GLY 20 H GLY 20 3.726 2.739 1.406 163 HA2 GLY 20 2HA GLY 20 2.062 4.364 -0.266 164 HA3 GLY 20 1HA GLY 20 1.680 2.752 0.330 165 H LEU 21 H LEU 21 0.848 5.941 0.473 166 HA LEU 21 HA LEU 21 0.227 6.194 3.222 167 HB2 LEU 21 1HB LEU 21 -0.733 7.833 0.883 168 HB3 LEU 21 2HB LEU 21 -0.876 8.272 2.574 169 HG LEU 21 HG LEU 21 1.711 7.962 1.053 170 HD11 LEU 21 1HD1 LEU 21 1.754 10.476 1.772 171 HD12 LEU 21 2HD1 LEU 21 0.889 9.975 0.318 172 HD13 LEU 21 3HD1 LEU 21 0.001 10.279 1.812 173 HD21 LEU 21 3HD2 LEU 21 2.068 7.318 3.329 174 HD22 LEU 21 1HD2 LEU 21 2.693 8.955 3.122 175 HD23 LEU 21 2HD2 LEU 21 1.140 8.697 3.919 176 H LEU 22 H LEU 22 -1.734 6.336 4.245 177 HA LEU 22 HA LEU 22 -4.088 5.319 2.793 178 HB2 LEU 22 1HB LEU 22 -3.434 4.849 5.706 179 HB3 LEU 22 2HB LEU 22 -4.906 4.352 4.897 180 HG LEU 22 HG LEU 22 -2.138 3.291 4.431 181 HD11 LEU 22 1HD1 LEU 22 -3.332 2.520 6.466 182 HD12 LEU 22 2HD1 LEU 22 -4.638 1.935 5.435 183 HD13 LEU 22 3HD1 LEU 22 -3.029 1.229 5.305 184 HD21 LEU 22 3HD2 LEU 22 -2.817 2.219 2.560 185 HD22 LEU 22 1HD2 LEU 22 -4.468 2.016 3.149 186 HD23 LEU 22 2HD2 LEU 22 -3.958 3.560 2.468 187 H CYS 23 H CYS 23 -5.915 6.477 3.075 188 HA CYS 23 HA CYS 23 -5.802 8.953 4.582 189 HB2 CYS 23 1HB CYS 23 -7.887 9.489 3.638 190 HB3 CYS 23 2HB CYS 23 -7.086 8.599 2.351 191 H GLU 24 H GLU 24 -6.877 9.244 6.536 192 HA GLU 24 HA GLU 24 -6.709 7.270 8.369 193 HB2 GLU 24 1HB GLU 24 -8.712 9.534 8.462 194 HB3 GLU 24 2HB GLU 24 -8.106 8.636 9.849 195 HG2 GLU 24 1HG GLU 24 -5.859 9.463 9.427 196 HG3 GLU 24 2HG GLU 24 -6.432 10.325 8.001 197 H LYS 25 H LYS 25 -9.392 7.783 6.224 198 HA LYS 25 HA LYS 25 -11.369 6.272 7.538 199 HB2 LYS 25 1HB LYS 25 -11.000 6.841 4.595 200 HB3 LYS 25 2HB LYS 25 -12.477 6.242 5.339 201 HG2 LYS 25 1HG LYS 25 -12.924 8.248 6.385 202 HG3 LYS 25 2HG LYS 25 -11.246 8.786 6.294 203 HD2 LYS 25 1HD LYS 25 -11.471 8.997 3.853 204 HD3 LYS 25 2HD LYS 25 -13.167 8.526 3.985 205 HE2 LYS 25 1HE LYS 25 -13.613 10.473 5.374 206 HE3 LYS 25 2HE LYS 25 -11.911 10.924 5.307 207 HZ1 LYS 25 3HZ LYS 25 -13.524 12.074 3.732 208 HZ2 LYS 25 1HZ LYS 25 -13.505 10.634 2.842 209 HZ3 LYS 25 2HZ LYS 25 -12.067 11.503 3.082 210 H CYS 26 H CYS 26 -8.844 5.279 5.229 211 HA CYS 26 HA CYS 26 -9.948 2.571 5.169 212 HB2 CYS 26 1HB CYS 26 -7.558 3.680 3.682 213 HB3 CYS 26 2HB CYS 26 -8.283 2.097 3.447 214 H ASP 27 H ASP 27 -7.676 4.443 6.801 215 HA ASP 27 HA ASP 27 -5.497 2.841 7.070 216 HB2 ASP 27 1HB ASP 27 -5.464 5.063 7.999 217 HB3 ASP 27 2HB ASP 27 -6.717 4.646 9.167 218 H GLY 28 H GLY 28 -5.199 0.908 7.735 219 HA2 GLY 28 2HA GLY 28 -5.281 -0.517 9.817 220 HA3 GLY 28 1HA GLY 28 -7.016 -0.238 9.759 221 H LYS 29 H LYS 29 -7.175 -0.407 6.883 222 HA LYS 29 HA LYS 29 -7.505 -3.240 6.637 223 HB2 LYS 29 1HB LYS 29 -7.608 -1.146 4.460 224 HB3 LYS 29 2HB LYS 29 -8.330 -2.748 4.417 225 HG2 LYS 29 1HG LYS 29 -10.043 -2.152 5.864 226 HG3 LYS 29 2HG LYS 29 -9.158 -0.756 6.488 227 HD2 LYS 29 1HD LYS 29 -10.937 0.007 5.044 228 HD3 LYS 29 2HD LYS 29 -9.382 0.328 4.278 229 HE2 LYS 29 1HE LYS 29 -10.833 -0.514 2.597 230 HE3 LYS 29 2HE LYS 29 -9.692 -1.800 2.986 231 HZ1 LYS 29 3HZ LYS 29 -11.433 -3.098 3.348 232 HZ2 LYS 29 1HZ LYS 29 -12.517 -1.804 3.171 233 HZ3 LYS 29 2HZ LYS 29 -11.842 -2.138 4.686 234 H CYS 30 H CYS 30 -6.114 -4.700 5.791 235 HA CYS 30 HA CYS 30 -3.529 -3.905 4.787 236 HB2 CYS 30 1HB CYS 30 -3.740 -6.035 5.964 237 HB3 CYS 30 2HB CYS 30 -4.950 -6.585 4.813 238 HA PRO 31 HA PRO 31 -5.325 -2.729 0.909 239 HB2 PRO 31 1HB PRO 31 -2.902 -2.618 -0.472 240 HB3 PRO 31 2HB PRO 31 -3.615 -1.304 0.464 241 HG2 PRO 31 1HG PRO 31 -1.509 -3.271 1.252 242 HG3 PRO 31 2HG PRO 31 -1.627 -1.540 1.625 243 HD2 PRO 31 1HD PRO 31 -2.242 -3.380 3.457 244 HD3 PRO 31 2HD PRO 31 -3.199 -1.889 3.312 245 H ILE 32 H ILE 32 -3.054 -5.378 1.171 246 HA ILE 32 HA ILE 32 -3.437 -6.400 -1.438 247 HB ILE 32 HB ILE 32 -2.430 -7.869 1.001 248 HG12 ILE 32 1HG1 ILE 32 -1.291 -5.610 0.031 249 HG13 ILE 32 2HG1 ILE 32 -0.371 -6.923 0.758 250 HG21 ILE 32 1HG2 ILE 32 -1.458 -9.435 -0.470 251 HG22 ILE 32 2HG2 ILE 32 -3.116 -9.212 -1.029 252 HG23 ILE 32 3HG2 ILE 32 -1.785 -8.428 -1.880 253 HD11 ILE 32 3HD1 ILE 32 0.379 -5.900 -1.496 254 HD12 ILE 32 1HD1 ILE 32 0.430 -7.648 -1.275 255 HD13 ILE 32 2HD1 ILE 32 -0.894 -6.912 -2.177 256 H CYS 33 H CYS 33 -4.867 -7.311 1.713 257 HA CYS 33 HA CYS 33 -6.553 -9.212 0.232 258 HB2 CYS 33 1HB CYS 33 -6.440 -10.712 2.126 259 HB3 CYS 33 2HB CYS 33 -4.816 -10.280 1.604 260 H ASP 34 H ASP 34 -6.791 -6.443 2.135 261 HA ASP 34 HA ASP 34 -8.529 -5.377 3.148 262 HB2 ASP 34 1HB ASP 34 -9.746 -5.840 1.081 263 HB3 ASP 34 2HB ASP 34 -10.198 -7.430 1.678 264 H SER 35 H SER 35 -7.521 -6.289 5.098 265 HA SER 35 HA SER 35 -9.470 -7.485 6.809 266 HB2 SER 35 1HB SER 35 -8.554 -9.492 5.605 267 HB3 SER 35 2HB SER 35 -6.961 -9.096 6.243 268 HG SER 35 HG SER 35 -9.220 -10.108 7.551 269 H TYR 36 H TYR 36 -9.014 -7.023 8.949 270 HA TYR 36 HA TYR 36 -6.740 -5.257 9.400 271 HB2 TYR 36 1HB TYR 36 -9.167 -5.942 11.061 272 HB3 TYR 36 2HB TYR 36 -7.852 -4.950 11.674 273 HD1 TYR 36 HD1 TYR 36 -9.949 -5.073 8.561 274 HD2 TYR 36 HD2 TYR 36 -8.267 -2.693 11.662 275 HE1 TYR 36 HE1 TYR 36 -11.012 -3.070 7.604 276 HE2 TYR 36 HE2 TYR 36 -9.324 -0.692 10.713 277 HH TYR 36 HH TYR 36 -10.527 0.150 9.044 278 H VAL 37 H VAL 37 -6.200 -8.041 9.024 279 HA VAL 37 HA VAL 37 -5.596 -9.201 11.590 280 HB VAL 37 HB VAL 37 -6.123 -10.616 9.632 281 HG11 VAL 37 1HG1 VAL 37 -5.268 -9.938 7.691 282 HG12 VAL 37 2HG1 VAL 37 -3.912 -9.115 8.461 283 HG13 VAL 37 3HG1 VAL 37 -3.840 -10.855 8.176 284 HG21 VAL 37 3HG2 VAL 37 -4.401 -12.285 9.969 285 HG22 VAL 37 1HG2 VAL 37 -3.334 -11.074 10.679 286 HG23 VAL 37 2HG2 VAL 37 -4.826 -11.527 11.504 287 H ARG 38 H ARG 38 -3.473 -9.579 12.389 288 HA ARG 38 HA ARG 38 -1.982 -7.406 12.805 289 HB2 ARG 38 1HB ARG 38 -0.100 -8.899 13.453 290 HB3 ARG 38 2HB ARG 38 -1.656 -9.395 14.105 291 HG2 ARG 38 1HG ARG 38 -1.843 -11.154 12.504 292 HG3 ARG 38 2HG ARG 38 -0.420 -10.581 11.633 293 HD2 ARG 38 1HD ARG 38 0.108 -12.519 13.013 294 HD3 ARG 38 2HD ARG 38 0.974 -11.087 13.567 295 HE ARG 38 HE ARG 38 -1.417 -11.300 15.015 296 HH11 ARG 38 2HH1 ARG 38 1.618 -12.983 14.633 297 HH12 ARG 38 1HH1 ARG 38 1.641 -13.599 16.254 298 HH21 ARG 38 2HH2 ARG 38 -1.398 -12.078 17.162 299 HH22 ARG 38 1HH2 ARG 38 -0.063 -13.055 17.711 300 HA PRO 39 HA PRO 39 0.256 -6.571 9.032 301 HB2 PRO 39 1HB PRO 39 1.483 -4.367 10.428 302 HB3 PRO 39 2HB PRO 39 0.236 -4.316 9.183 303 HG2 PRO 39 1HG PRO 39 -0.187 -3.611 11.792 304 HG3 PRO 39 2HG PRO 39 -1.460 -4.207 10.711 305 HD2 PRO 39 1HD PRO 39 0.088 -5.676 12.811 306 HD3 PRO 39 2HD PRO 39 -1.641 -5.773 12.410 307 H LYS 40 H LYS 40 2.731 -5.512 8.904 308 HA LYS 40 HA LYS 40 4.569 -6.425 10.836 309 HB2 LYS 40 1HB LYS 40 3.917 -8.629 9.862 310 HB3 LYS 40 2HB LYS 40 4.532 -8.084 8.308 311 HG2 LYS 40 1HG LYS 40 6.761 -7.927 9.183 312 HG3 LYS 40 2HG LYS 40 6.189 -8.289 10.813 313 HD2 LYS 40 1HD LYS 40 5.473 -10.506 10.070 314 HD3 LYS 40 2HD LYS 40 6.031 -10.144 8.436 315 HE2 LYS 40 1HE LYS 40 7.768 -10.219 10.902 316 HE3 LYS 40 2HE LYS 40 7.643 -11.509 9.705 317 HZ1 LYS 40 3HZ LYS 40 8.462 -9.932 8.027 318 HZ2 LYS 40 1HZ LYS 40 9.585 -10.175 9.276 319 HZ3 LYS 40 2HZ LYS 40 8.660 -8.755 9.234 320 H ARG 41 H ARG 41 4.231 -5.866 7.320 321 HA ARG 41 HA ARG 41 6.702 -4.264 7.473 322 HB2 ARG 41 1HB ARG 41 5.588 -5.994 5.280 323 HB3 ARG 41 2HB ARG 41 6.777 -4.745 4.942 324 HG2 ARG 41 1HG ARG 41 7.160 -7.032 6.862 325 HG3 ARG 41 2HG ARG 41 7.787 -6.959 5.213 326 HD2 ARG 41 1HD ARG 41 8.475 -5.084 7.475 327 HD3 ARG 41 2HD ARG 41 9.513 -6.348 6.818 328 HE ARG 41 HE ARG 41 9.091 -3.729 5.752 329 HH11 ARG 41 2HH1 ARG 41 10.002 -7.019 4.944 330 HH12 ARG 41 1HH1 ARG 41 10.713 -6.579 3.416 331 HH21 ARG 41 2HH2 ARG 41 10.039 -3.148 3.753 332 HH22 ARG 41 1HH2 ARG 41 10.756 -4.385 2.755 333 H LYS 42 H LYS 42 6.777 -2.244 6.634 334 HA LYS 42 HA LYS 42 4.304 -0.875 6.105 335 HB2 LYS 42 1HB LYS 42 7.190 -0.005 5.872 336 HB3 LYS 42 2HB LYS 42 5.829 1.054 5.539 337 HG2 LYS 42 1HG LYS 42 5.048 0.666 7.874 338 HG3 LYS 42 2HG LYS 42 6.550 -0.212 8.168 339 HD2 LYS 42 1HD LYS 42 7.850 1.758 7.662 340 HD3 LYS 42 2HD LYS 42 6.392 2.645 7.218 341 HE2 LYS 42 1HE LYS 42 7.065 3.302 9.429 342 HE3 LYS 42 2HE LYS 42 5.571 2.375 9.537 343 HZ1 LYS 42 3HZ LYS 42 7.803 0.647 9.751 344 HZ2 LYS 42 1HZ LYS 42 6.562 0.932 10.875 345 HZ3 LYS 42 2HZ LYS 42 7.944 1.906 10.880 346 H VAL 43 H VAL 43 3.402 -0.403 4.191 347 HA VAL 43 HA VAL 43 4.305 -1.775 1.850 348 HB VAL 43 HB VAL 43 2.406 -0.745 0.722 349 HG11 VAL 43 1HG1 VAL 43 2.046 -2.014 3.380 350 HG12 VAL 43 2HG1 VAL 43 0.621 -1.372 2.562 351 HG13 VAL 43 3HG1 VAL 43 1.611 -2.602 1.776 352 HG21 VAL 43 3HG2 VAL 43 1.355 0.639 3.069 353 HG22 VAL 43 1HG2 VAL 43 2.795 1.378 2.374 354 HG23 VAL 43 2HG2 VAL 43 1.366 1.124 1.374 355 H ARG 44 H ARG 44 5.194 -0.913 -0.045 356 HA ARG 44 HA ARG 44 5.946 1.928 0.076 357 HB2 ARG 44 1HB ARG 44 7.755 -0.293 -0.889 358 HB3 ARG 44 2HB ARG 44 8.124 1.425 -0.922 359 HG2 ARG 44 1HG ARG 44 7.901 1.419 1.577 360 HG3 ARG 44 2HG ARG 44 7.816 -0.341 1.490 361 HD2 ARG 44 1HD ARG 44 10.096 1.431 0.628 362 HD3 ARG 44 2HD ARG 44 10.080 0.291 1.969 363 HE ARG 44 HE ARG 44 10.750 -0.277 -0.700 364 HH11 ARG 44 2HH1 ARG 44 8.913 -1.692 1.945 365 HH12 ARG 44 1HH1 ARG 44 9.151 -3.318 1.387 366 HH21 ARG 44 2HH2 ARG 44 11.077 -2.417 -1.394 367 HH22 ARG 44 1HH2 ARG 44 10.408 -3.736 -0.467 368 H VAL 45 H VAL 45 5.396 3.026 -1.660 369 HA VAL 45 HA VAL 45 4.191 1.635 -3.894 370 HB VAL 45 HB VAL 45 3.706 3.914 -4.772 371 HG11 VAL 45 1HG1 VAL 45 2.532 2.550 -2.662 372 HG12 VAL 45 2HG1 VAL 45 2.621 4.224 -2.111 373 HG13 VAL 45 3HG1 VAL 45 1.804 3.836 -3.626 374 HG21 VAL 45 3HG2 VAL 45 4.040 5.837 -3.244 375 HG22 VAL 45 1HG2 VAL 45 5.015 4.799 -2.202 376 HG23 VAL 45 2HG2 VAL 45 5.552 5.156 -3.844 377 H CYS 46 H CYS 46 4.895 1.703 -6.014 378 HA CYS 46 HA CYS 46 7.715 1.737 -6.354 379 HB2 CYS 46 1HB CYS 46 7.352 0.867 -8.460 380 HB3 CYS 46 2HB CYS 46 5.866 0.384 -7.651 381 H GLU 47 H GLU 47 8.991 3.154 -7.507 382 HA GLU 47 HA GLU 47 8.496 5.858 -7.216 383 HB2 GLU 47 1HB GLU 47 10.365 4.417 -9.086 384 HB3 GLU 47 2HB GLU 47 10.370 6.163 -8.880 385 HG2 GLU 47 1HG GLU 47 10.867 5.892 -6.517 386 HG3 GLU 47 2HG GLU 47 10.848 4.140 -6.708 387 H ASN 48 H ASN 48 7.847 3.780 -9.981 388 HA ASN 48 HA ASN 48 7.292 5.626 -11.951 389 HB2 ASN 48 1HB ASN 48 5.926 2.995 -11.371 390 HB3 ASN 48 2HB ASN 48 5.647 3.929 -12.835 391 HD21 ASN 48 1HD2 ASN 48 6.645 3.031 -14.468 392 HD22 ASN 48 2HD2 ASN 48 8.244 2.353 -14.445 393 H CYS 49 H CYS 49 5.239 4.584 -9.285 394 HA CYS 49 HA CYS 49 3.015 6.177 -10.232 395 HB2 CYS 49 1HB CYS 49 3.381 4.556 -7.706 396 HB3 CYS 49 2HB CYS 49 1.945 5.507 -8.048 397 H SER 50 H SER 50 5.593 6.461 -7.831 398 HA SER 50 HA SER 50 4.340 8.596 -6.430 399 HB2 SER 50 1HB SER 50 6.601 8.832 -5.337 400 HB3 SER 50 2HB SER 50 5.863 7.236 -5.204 401 HG SER 50 HG SER 50 8.225 7.580 -5.946 402 H PHE 51 H PHE 51 7.046 8.460 -8.750 403 HA PHE 51 HA PHE 51 7.231 11.321 -8.808 404 HB2 PHE 51 1HB PHE 51 8.866 11.059 -10.548 405 HB3 PHE 51 2HB PHE 51 9.205 9.930 -9.265 406 HD1 PHE 51 HD1 PHE 51 7.054 9.788 -12.346 407 HD2 PHE 51 HD2 PHE 51 10.215 8.071 -10.077 408 HE1 PHE 51 HE1 PHE 51 7.276 7.998 -14.017 409 HE2 PHE 51 HE2 PHE 51 10.435 6.274 -11.740 410 HZ PHE 51 HZ PHE 51 8.967 6.235 -13.713 411 H GLY 52 H GLY 52 5.203 9.046 -10.219 412 HA2 GLY 52 2HA GLY 52 4.516 10.594 -12.567 413 HA3 GLY 52 1HA GLY 52 3.739 9.115 -12.021 414 H LYS 53 H LYS 53 1.754 9.317 -11.268 415 HA LYS 53 HA LYS 53 0.954 11.710 -9.823 416 HB2 LYS 53 1HB LYS 53 -1.061 12.012 -11.231 417 HB3 LYS 53 2HB LYS 53 0.428 12.314 -12.116 418 HG2 LYS 53 1HG LYS 53 0.274 10.180 -13.212 419 HG3 LYS 53 2HG LYS 53 -1.116 9.729 -12.223 420 HD2 LYS 53 1HD LYS 53 -1.857 10.413 -14.423 421 HD3 LYS 53 2HD LYS 53 -2.395 11.585 -13.219 422 HE2 LYS 53 1HE LYS 53 -1.572 12.729 -15.183 423 HE3 LYS 53 2HE LYS 53 -0.506 13.034 -13.813 424 HZ1 LYS 53 3HZ LYS 53 0.282 10.746 -15.351 425 HZ2 LYS 53 1HZ LYS 53 1.202 12.083 -14.857 426 HZ3 LYS 53 2HZ LYS 53 0.266 12.167 -16.272 427 H GLN 54 H GLN 54 -0.996 11.439 -8.646 428 HA GLN 54 HA GLN 54 -2.487 10.349 -7.356 429 HB2 GLN 54 1HB GLN 54 -2.425 8.461 -9.697 430 HB3 GLN 54 2HB GLN 54 -3.506 8.237 -8.322 431 HG2 GLN 54 1HG GLN 54 -4.618 10.260 -8.739 432 HG3 GLN 54 2HG GLN 54 -3.381 10.787 -9.875 433 HE21 GLN 54 1HE2 GLN 54 -3.477 7.834 -10.819 434 HE22 GLN 54 2HE2 GLN 54 -4.778 7.859 -11.954 435 H ALA 55 H ALA 55 -0.181 10.188 -6.341 436 HA ALA 55 HA ALA 55 0.126 7.409 -5.430 437 HB1 ALA 55 3HB ALA 55 2.045 7.602 -6.627 438 HB2 ALA 55 1HB ALA 55 2.137 9.348 -6.403 439 HB3 ALA 55 2HB ALA 55 2.597 8.262 -5.087 440 H LYS 56 H LYS 56 0.096 10.808 -4.712 441 HA LYS 56 HA LYS 56 0.807 10.521 -1.939 442 HB2 LYS 56 1HB LYS 56 -0.352 12.796 -3.542 443 HB3 LYS 56 2HB LYS 56 -0.172 12.883 -1.796 444 HG2 LYS 56 1HG LYS 56 1.720 13.945 -2.665 445 HG3 LYS 56 2HG LYS 56 2.277 12.349 -2.162 446 HD2 LYS 56 1HD LYS 56 1.882 11.638 -4.585 447 HD3 LYS 56 2HD LYS 56 1.764 13.363 -4.945 448 HE2 LYS 56 1HE LYS 56 4.000 13.637 -3.850 449 HE3 LYS 56 2HE LYS 56 4.099 11.878 -3.771 450 HZ1 LYS 56 3HZ LYS 56 4.514 13.640 -6.001 451 HZ2 LYS 56 1HZ LYS 56 3.476 12.352 -6.368 452 HZ3 LYS 56 2HZ LYS 56 5.036 12.043 -5.775 453 H ASN 57 H ASN 57 -1.883 9.894 -3.823 454 HA ASN 57 HA ASN 57 -3.882 10.371 -1.798 455 HB2 ASN 57 1HB ASN 57 -4.157 8.665 -4.274 456 HB3 ASN 57 2HB ASN 57 -5.454 9.315 -3.288 457 HD21 ASN 57 1HD2 ASN 57 -4.412 9.582 -6.172 458 HD22 ASN 57 2HD2 ASN 57 -4.493 11.291 -6.462 459 H CYS 58 H CYS 58 -4.980 8.797 -0.691 460 HA CYS 58 HA CYS 58 -3.559 6.720 0.495 461 HB2 CYS 58 1HB CYS 58 -5.436 7.593 1.599 462 HB3 CYS 58 2HB CYS 58 -6.461 7.416 0.187 463 H ILE 59 H ILE 59 -2.955 4.822 -0.252 464 HA ILE 59 HA ILE 59 -3.372 4.022 -2.875 465 HB ILE 59 HB ILE 59 -2.270 1.897 -2.230 466 HG12 ILE 59 1HG1 ILE 59 -2.527 3.062 0.552 467 HG13 ILE 59 2HG1 ILE 59 -3.210 1.548 -0.025 468 HG21 ILE 59 1HG2 ILE 59 -1.265 4.563 -2.021 469 HG22 ILE 59 2HG2 ILE 59 -0.428 3.537 -0.855 470 HG23 ILE 59 3HG2 ILE 59 -0.435 3.104 -2.565 471 HD11 ILE 59 3HD1 ILE 59 -0.366 1.565 -0.393 472 HD12 ILE 59 1HD1 ILE 59 -0.781 1.940 1.281 473 HD13 ILE 59 2HD1 ILE 59 -1.376 0.452 0.532 474 H ILE 60 H ILE 60 -5.171 3.149 -0.009 475 HA ILE 60 HA ILE 60 -6.338 0.821 -1.115 476 HB ILE 60 HB ILE 60 -7.017 2.442 1.334 477 HG12 ILE 60 1HG1 ILE 60 -5.910 -0.343 0.901 478 HG13 ILE 60 2HG1 ILE 60 -4.977 1.074 1.372 479 HG21 ILE 60 1HG2 ILE 60 -8.298 -0.076 1.446 480 HG22 ILE 60 2HG2 ILE 60 -9.040 1.525 1.454 481 HG23 ILE 60 3HG2 ILE 60 -8.777 0.681 -0.074 482 HD11 ILE 60 3HD1 ILE 60 -5.872 -0.723 3.114 483 HD12 ILE 60 1HD1 ILE 60 -5.675 0.983 3.517 484 HD13 ILE 60 2HD1 ILE 60 -7.267 0.355 3.090 485 H CYS 61 H CYS 61 -7.601 4.166 -0.808 486 HA CYS 61 HA CYS 61 -9.885 3.277 -2.418 487 HB2 CYS 61 1HB CYS 61 -10.950 5.463 -1.855 488 HB3 CYS 61 2HB CYS 61 -10.655 4.423 -0.466 489 H ASN 62 H ASN 62 -6.940 4.800 -2.699 490 HA ASN 62 HA ASN 62 -5.891 6.112 -4.200 491 HB2 ASN 62 1HB ASN 62 -6.186 5.460 -6.574 492 HB3 ASN 62 2HB ASN 62 -5.944 4.087 -5.504 493 HD21 ASN 62 1HD2 ASN 62 -8.052 5.638 -7.717 494 HD22 ASN 62 2HD2 ASN 62 -9.316 4.459 -7.694 495 H LEU 63 H LEU 63 -7.824 7.509 -3.019 496 HA LEU 63 HA LEU 63 -8.696 9.335 -5.110 497 HB2 LEU 63 1HB LEU 63 -10.357 7.387 -4.574 498 HB3 LEU 63 2HB LEU 63 -10.711 8.318 -3.140 499 HG LEU 63 HG LEU 63 -12.306 8.683 -5.006 500 HD11 LEU 63 1HD1 LEU 63 -10.826 11.234 -4.522 501 HD12 LEU 63 2HD1 LEU 63 -12.566 10.950 -4.611 502 HD13 LEU 63 3HD1 LEU 63 -11.653 10.402 -3.204 503 HD21 LEU 63 3HD2 LEU 63 -11.658 9.271 -7.066 504 HD22 LEU 63 1HD2 LEU 63 -10.445 10.404 -6.466 505 HD23 LEU 63 2HD2 LEU 63 -10.073 8.679 -6.561 506 H ASN 64 H ASN 64 -9.265 8.661 -1.645 507 HA ASN 64 HA ASN 64 -9.081 11.446 -0.937 508 HB2 ASN 64 1HB ASN 64 -9.101 8.937 0.755 509 HB3 ASN 64 2HB ASN 64 -9.082 10.566 1.420 510 HD21 ASN 64 1HD2 ASN 64 -10.840 10.913 -1.262 511 HD22 ASN 64 2HD2 ASN 64 -12.420 10.560 -0.658 512 H VAL 65 H VAL 65 -7.316 12.514 -0.072 513 HA VAL 65 HA VAL 65 -4.812 11.567 -0.906 514 HB VAL 65 HB VAL 65 -5.504 13.980 -0.652 515 HG11 VAL 65 1HG1 VAL 65 -4.362 14.313 1.939 516 HG12 VAL 65 2HG1 VAL 65 -5.945 14.813 1.342 517 HG13 VAL 65 3HG1 VAL 65 -5.726 13.199 2.017 518 HG21 VAL 65 3HG2 VAL 65 -2.852 13.575 0.646 519 HG22 VAL 65 1HG2 VAL 65 -3.119 12.932 -0.977 520 HG23 VAL 65 2HG2 VAL 65 -3.314 14.659 -0.665 521 H GLY 66 H GLY 66 -3.027 10.831 0.162 522 HA2 GLY 66 2HA GLY 66 -3.570 9.090 2.332 523 HA3 GLY 66 1HA GLY 66 -2.001 9.394 1.608 524 H VAL 67 H VAL 67 -2.430 8.981 4.331 525 HA VAL 67 HA VAL 67 -1.234 11.365 5.422 526 HB VAL 67 HB VAL 67 -3.462 12.057 5.742 527 HG11 VAL 67 1HG1 VAL 67 -4.421 9.679 7.184 528 HG12 VAL 67 2HG1 VAL 67 -5.285 10.792 6.124 529 HG13 VAL 67 3HG1 VAL 67 -4.249 9.542 5.434 530 HG21 VAL 67 3HG2 VAL 67 -2.813 12.675 7.779 531 HG22 VAL 67 1HG2 VAL 67 -3.738 11.285 8.356 532 HG23 VAL 67 2HG2 VAL 67 -2.002 11.135 8.070 533 H ASN 68 H ASN 68 -2.766 8.291 6.161 534 HA ASN 68 HA ASN 68 -0.715 7.659 8.167 535 HB2 ASN 68 1HB ASN 68 -3.242 6.198 7.355 536 HB3 ASN 68 2HB ASN 68 -2.112 5.623 8.574 537 HD21 ASN 68 1HD2 ASN 68 -2.129 8.902 8.812 538 HD22 ASN 68 2HD2 ASN 68 -3.325 9.103 10.044 539 H ASP 69 H ASP 69 -0.271 5.065 7.938 540 HA ASP 69 HA ASP 69 0.635 4.652 5.146 541 HB2 ASP 69 1HB ASP 69 2.121 3.875 7.674 542 HB3 ASP 69 2HB ASP 69 2.636 3.505 6.034 543 H ALA 70 H ALA 70 0.487 2.600 4.309 544 HA ALA 70 HA ALA 70 -1.242 0.772 5.784 545 HB1 ALA 70 3HB ALA 70 -2.068 0.473 3.746 546 HB2 ALA 70 1HB ALA 70 -0.689 1.269 2.989 547 HB3 ALA 70 2HB ALA 70 -0.608 -0.449 3.386 548 H PHE 71 H PHE 71 -0.749 -1.450 6.029 549 HA PHE 71 HA PHE 71 2.112 -2.101 5.892 550 HB2 PHE 71 1HB PHE 71 0.253 -2.548 8.226 551 HB3 PHE 71 2HB PHE 71 1.748 -3.450 8.026 552 HD1 PHE 71 HD2 PHE 71 0.558 0.090 8.073 553 HD2 PHE 71 HD1 PHE 71 3.601 -2.698 9.106 554 HE1 PHE 71 HE2 PHE 71 1.782 1.868 9.247 555 HE2 PHE 71 HE1 PHE 71 4.823 -0.927 10.296 556 HZ PHE 71 HZ PHE 71 3.918 1.362 10.363 557 H TYR 72 H TYR 72 2.546 -4.056 5.061 558 HA TYR 72 HA TYR 72 0.437 -5.707 4.018 559 HB2 TYR 72 1HB TYR 72 3.358 -6.413 4.385 560 HB3 TYR 72 2HB TYR 72 2.202 -7.245 3.355 561 HD1 TYR 72 HD2 TYR 72 1.118 -5.751 1.472 562 HD2 TYR 72 HD1 TYR 72 4.772 -4.864 3.457 563 HE1 TYR 72 HE2 TYR 72 1.789 -4.330 -0.421 564 HE2 TYR 72 HE1 TYR 72 5.462 -3.446 1.576 565 HH TYR 72 HH TYR 72 3.826 -3.397 -1.423 566 H CYS 73 H CYS 73 -0.685 -7.148 5.175 567 HA CYS 73 HA CYS 73 -0.061 -7.660 7.890 568 HB2 CYS 73 1HB CYS 73 -2.053 -8.872 8.003 569 HB3 CYS 73 2HB CYS 73 -2.376 -7.688 6.743 570 H TRP 74 H TRP 74 0.564 -9.620 8.865 571 HA TRP 74 HA TRP 74 2.722 -10.890 7.679 572 HB2 TRP 74 1HB TRP 74 2.311 -10.840 10.105 573 HB3 TRP 74 2HB TRP 74 0.965 -11.955 9.897 574 HD1 TRP 74 HD1 TRP 74 4.549 -12.209 8.422 575 HE1 TRP 74 HE1 TRP 74 5.543 -14.480 9.141 576 HE3 TRP 74 HE3 TRP 74 0.713 -13.863 11.351 577 HZ2 TRP 74 HZ2 TRP 74 4.784 -16.675 10.737 578 HZ3 TRP 74 HZ3 TRP 74 0.921 -16.060 12.439 579 HH2 TRP 74 HH2 TRP 74 2.915 -17.437 12.137 580 H GLU 75 H GLU 75 -0.667 -11.700 7.564 581 HA GLU 75 HA GLU 75 -0.497 -14.331 6.592 582 HB2 GLU 75 1HB GLU 75 -2.583 -12.211 6.038 583 HB3 GLU 75 2HB GLU 75 -2.770 -13.928 5.703 584 HG2 GLU 75 1HG GLU 75 -2.318 -12.753 8.433 585 HG3 GLU 75 2HG GLU 75 -3.890 -13.204 7.772 586 H CYS 76 H CYS 76 -0.553 -11.208 4.911 587 HA CYS 76 HA CYS 76 -0.396 -12.311 2.287 588 HB2 CYS 76 1HB CYS 76 0.028 -9.560 3.415 589 HB3 CYS 76 2HB CYS 76 0.400 -9.914 1.732 590 H CYS 77 H CYS 77 1.974 -11.214 4.650 591 HA CYS 77 HA CYS 77 4.243 -11.376 2.967 592 HB2 CYS 77 1HB CYS 77 4.012 -11.690 5.967 593 HB3 CYS 77 2HB CYS 77 5.529 -11.504 5.092 594 HG CYS 77 HG CYS 77 4.860 -8.940 4.120 595 H ARG 78 H ARG 78 2.612 -13.688 5.063 596 HA ARG 78 HA ARG 78 4.403 -15.841 4.797 597 HB2 ARG 78 1HB ARG 78 2.455 -15.558 6.438 598 HB3 ARG 78 2HB ARG 78 1.412 -16.087 5.132 599 HG2 ARG 78 1HG ARG 78 3.728 -17.797 5.858 600 HG3 ARG 78 2HG ARG 78 2.331 -17.761 6.936 601 HD2 ARG 78 1HD ARG 78 0.894 -18.282 4.977 602 HD3 ARG 78 2HD ARG 78 2.354 -18.480 4.010 603 HE ARG 78 HE ARG 78 2.603 -20.554 4.910 604 HH11 ARG 78 2HH1 ARG 78 0.464 -18.725 7.010 605 HH12 ARG 78 1HH1 ARG 78 0.247 -20.031 8.133 606 HH21 ARG 78 2HH2 ARG 78 2.292 -22.277 6.383 607 HH22 ARG 78 1HH2 ARG 78 1.236 -22.058 7.747 608 H LEU 79 H LEU 79 1.622 -14.819 2.880 609 HA LEU 79 HA LEU 79 1.710 -17.016 1.058 610 HB2 LEU 79 1HB LEU 79 0.490 -14.267 0.792 611 HB3 LEU 79 2HB LEU 79 0.251 -15.576 -0.351 612 HG LEU 79 HG LEU 79 -0.601 -15.613 2.547 613 HD11 LEU 79 1HD1 LEU 79 -2.593 -14.810 1.933 614 HD12 LEU 79 2HD1 LEU 79 -1.782 -14.267 0.464 615 HD13 LEU 79 3HD1 LEU 79 -2.644 -15.806 0.478 616 HD21 LEU 79 3HD2 LEU 79 -0.208 -17.841 2.006 617 HD22 LEU 79 1HD2 LEU 79 -1.921 -17.635 1.640 618 HD23 LEU 79 2HD2 LEU 79 -0.733 -17.628 0.336 619 H GLY 80 H GLY 80 3.168 -13.833 1.196 620 HA2 GLY 80 2HA GLY 80 5.162 -13.203 0.138 621 HA3 GLY 80 1HA GLY 80 5.017 -14.597 -0.923 622 H LYS 81 H LYS 81 2.558 -12.155 -0.285 623 HA LYS 81 HA LYS 81 2.496 -11.544 -3.147 624 HB2 LYS 81 1HB LYS 81 0.592 -10.734 -0.943 625 HB3 LYS 81 2HB LYS 81 0.385 -10.373 -2.649 626 HG2 LYS 81 1HG LYS 81 0.381 -12.847 -3.073 627 HG3 LYS 81 2HG LYS 81 0.315 -13.069 -1.324 628 HD2 LYS 81 1HD LYS 81 -1.920 -13.195 -2.189 629 HD3 LYS 81 2HD LYS 81 -1.754 -11.685 -1.288 630 HE2 LYS 81 1HE LYS 81 -1.545 -10.424 -3.310 631 HE3 LYS 81 2HE LYS 81 -1.439 -11.893 -4.277 632 HZ1 LYS 81 3HZ LYS 81 -3.673 -10.555 -4.041 633 HZ2 LYS 81 1HZ LYS 81 -3.838 -11.507 -2.644 634 HZ3 LYS 81 2HZ LYS 81 -3.662 -12.246 -4.156 635 H ASP 82 H ASP 82 3.279 -10.173 -0.075 636 HA ASP 82 HA ASP 82 3.278 -7.444 -0.747 637 HB2 ASP 82 1HB ASP 82 4.637 -7.129 1.268 638 HB3 ASP 82 2HB ASP 82 3.282 -8.206 1.570 639 H LYS 83 H LYS 83 5.639 -9.954 -1.214 640 HA LYS 83 HA LYS 83 7.918 -8.393 -1.470 641 HB2 LYS 83 1HB LYS 83 8.970 -10.289 -2.512 642 HB3 LYS 83 2HB LYS 83 7.917 -10.854 -1.225 643 HG2 LYS 83 1HG LYS 83 6.225 -11.464 -2.877 644 HG3 LYS 83 2HG LYS 83 7.284 -10.897 -4.168 645 HD2 LYS 83 1HD LYS 83 7.862 -13.149 -2.244 646 HD3 LYS 83 2HD LYS 83 7.428 -13.316 -3.945 647 HE2 LYS 83 1HE LYS 83 9.899 -11.946 -2.890 648 HE3 LYS 83 2HE LYS 83 9.843 -13.571 -3.568 649 HZ1 LYS 83 3HZ LYS 83 10.084 -11.102 -4.915 650 HZ2 LYS 83 1HZ LYS 83 8.666 -11.881 -5.437 651 HZ3 LYS 83 2HZ LYS 83 10.162 -12.672 -5.550 652 H ASP 84 H ASP 84 5.311 -8.735 -3.697 653 HA ASP 84 HA ASP 84 6.745 -8.176 -6.083 654 HB2 ASP 84 1HB ASP 84 3.834 -7.929 -5.362 655 HB3 ASP 84 2HB ASP 84 4.444 -7.432 -6.935 656 H GLY 85 H GLY 85 5.001 -6.107 -3.780 657 HA2 GLY 85 2HA GLY 85 6.356 -4.123 -3.235 658 HA3 GLY 85 1HA GLY 85 6.515 -3.866 -4.962 659 H CYS 86 H CYS 86 5.397 -2.315 -5.702 660 HA CYS 86 HA CYS 86 3.932 -0.516 -4.390 661 HB2 CYS 86 1HB CYS 86 4.833 -0.425 -6.732 662 HB3 CYS 86 2HB CYS 86 3.393 -1.278 -7.260 663 HA PRO 87 HA PRO 87 0.052 -2.711 -3.672 664 HB2 PRO 87 1HB PRO 87 -0.555 -1.518 -1.370 665 HB3 PRO 87 2HB PRO 87 0.746 -2.715 -1.450 666 HG2 PRO 87 1HG PRO 87 0.915 0.269 -1.375 667 HG3 PRO 87 2HG PRO 87 1.923 -0.931 -0.549 668 HD2 PRO 87 1HD PRO 87 2.592 0.366 -2.911 669 HD3 PRO 87 2HD PRO 87 3.308 -1.154 -2.343 670 H ARG 88 H ARG 88 0.545 -0.070 -5.211 671 HA ARG 88 HA ARG 88 -1.714 1.577 -4.588 672 HB2 ARG 88 1HB ARG 88 0.557 1.718 -6.309 673 HB3 ARG 88 2HB ARG 88 -0.884 1.930 -7.295 674 HG2 ARG 88 1HG ARG 88 -1.406 3.533 -5.152 675 HG3 ARG 88 2HG ARG 88 0.338 3.719 -5.345 676 HD2 ARG 88 1HD ARG 88 -0.895 5.385 -6.656 677 HD3 ARG 88 2HD ARG 88 0.035 4.297 -7.688 678 HE ARG 88 HE ARG 88 -2.586 3.315 -7.363 679 HH11 ARG 88 2HH1 ARG 88 -0.842 5.859 -8.992 680 HH12 ARG 88 1HH1 ARG 88 -1.982 5.998 -10.296 681 HH21 ARG 88 2HH2 ARG 88 -4.136 3.515 -9.031 682 HH22 ARG 88 1HH2 ARG 88 -3.871 4.662 -10.316 683 H ILE 89 H ILE 89 -3.748 1.169 -5.124 684 HA ILE 89 HA ILE 89 -4.407 -1.147 -6.700 685 HB ILE 89 HB ILE 89 -5.941 0.853 -5.079 686 HG12 ILE 89 1HG1 ILE 89 -4.827 -0.920 -3.855 687 HG13 ILE 89 2HG1 ILE 89 -6.568 -1.150 -3.770 688 HG21 ILE 89 1HG2 ILE 89 -7.023 -0.434 -7.330 689 HG22 ILE 89 2HG2 ILE 89 -7.696 -1.221 -5.903 690 HG23 ILE 89 3HG2 ILE 89 -7.855 0.523 -6.105 691 HD11 ILE 89 3HD1 ILE 89 -4.694 -2.650 -5.588 692 HD12 ILE 89 1HD1 ILE 89 -5.380 -3.259 -4.082 693 HD13 ILE 89 2HD1 ILE 89 -6.433 -2.904 -5.450 694 H LEU 90 H LEU 90 -5.135 -1.227 -8.786 695 HA LEU 90 HA LEU 90 -6.488 0.924 -10.055 696 HB2 LEU 90 1HB LEU 90 -4.846 1.420 -11.756 697 HB3 LEU 90 2HB LEU 90 -4.244 1.842 -10.170 698 HG LEU 90 HG LEU 90 -3.511 -0.801 -11.372 699 HD11 LEU 90 1HD1 LEU 90 -1.979 1.749 -11.873 700 HD12 LEU 90 2HD1 LEU 90 -1.655 0.143 -12.526 701 HD13 LEU 90 3HD1 LEU 90 -3.080 1.038 -13.054 702 HD21 LEU 90 3HD2 LEU 90 -2.981 -0.360 -9.058 703 HD22 LEU 90 1HD2 LEU 90 -1.522 -0.474 -10.041 704 HD23 LEU 90 2HD2 LEU 90 -2.114 1.106 -9.525 705 H ASN 91 H ASN 91 -6.965 -1.917 -9.707 706 HA ASN 91 HA ASN 91 -6.442 -3.503 -11.896 707 HB2 ASN 91 1HB ASN 91 -8.544 -4.708 -11.496 708 HB3 ASN 91 2HB ASN 91 -7.680 -4.402 -10.000 709 HD21 ASN 91 1HD2 ASN 91 -8.434 -1.755 -9.615 710 HD22 ASN 91 2HD2 ASN 91 -10.118 -1.704 -9.243 711 H LEU 92 H LEU 92 -7.278 -3.858 -13.864 712 HA LEU 92 HA LEU 92 -7.804 -1.716 -15.431 713 HB2 LEU 92 1HB LEU 92 -7.212 -4.144 -16.024 714 HB3 LEU 92 2HB LEU 92 -8.945 -4.408 -16.086 715 HG LEU 92 HG LEU 92 -9.063 -2.533 -17.776 716 HD11 LEU 92 1HD1 LEU 92 -6.185 -2.974 -18.332 717 HD12 LEU 92 2HD1 LEU 92 -7.202 -1.570 -18.656 718 HD13 LEU 92 3HD1 LEU 92 -6.614 -1.874 -17.022 719 HD21 LEU 92 3HD2 LEU 92 -8.635 -5.210 -18.096 720 HD22 LEU 92 1HD2 LEU 92 -9.026 -4.078 -19.389 721 HD23 LEU 92 2HD2 LEU 92 -7.345 -4.507 -19.073 722 H GLY 93 H GLY 93 -9.390 -0.337 -15.524 723 HA2 GLY 93 2HA GLY 93 -12.161 -1.331 -15.359 724 HA3 GLY 93 1HA GLY 93 -11.681 0.146 -14.525 725 H SER 94 H SER 94 -11.166 -1.285 -17.714 726 HA SER 94 HA SER 94 -11.303 -0.468 -19.820 727 HB2 SER 94 1HB SER 94 -12.876 1.816 -18.608 728 HB3 SER 94 2HB SER 94 -12.713 1.476 -20.331 729 HG SER 94 HG SER 94 -14.083 0.005 -18.344 730 H ASN 95 H ASN 95 -9.024 -0.191 -18.513 731 HA ASN 95 HA ASN 95 -8.026 2.454 -19.338 732 HB2 ASN 95 1HB ASN 95 -7.460 0.933 -16.805 733 HB3 ASN 95 2HB ASN 95 -6.320 2.121 -17.428 734 HD21 ASN 95 1HD2 ASN 95 -6.526 4.085 -16.687 735 HD22 ASN 95 2HD2 ASN 95 -7.959 4.776 -16.006 736 H ARG 96 H ARG 96 -8.057 -0.324 -20.541 737 HA ARG 96 HA ARG 96 -5.415 -1.357 -20.450 738 HB2 ARG 96 1HB ARG 96 -7.561 -2.542 -21.196 739 HB3 ARG 96 2HB ARG 96 -7.355 -1.718 -22.733 740 HG2 ARG 96 1HG ARG 96 -5.101 -3.325 -21.634 741 HG3 ARG 96 2HG ARG 96 -6.470 -4.150 -22.377 742 HD2 ARG 96 1HD ARG 96 -6.138 -2.785 -24.412 743 HD3 ARG 96 2HD ARG 96 -4.718 -2.059 -23.662 744 HE ARG 96 HE ARG 96 -4.354 -4.813 -23.580 745 HH11 ARG 96 2HH1 ARG 96 -4.700 -2.321 -26.020 746 HH12 ARG 96 1HH1 ARG 96 -3.730 -3.156 -27.194 747 HH21 ARG 96 2HH2 ARG 96 -3.062 -5.908 -25.136 748 HH22 ARG 96 1HH2 ARG 96 -2.825 -5.183 -26.705 749 H LEU 97 H LEU 97 -7.042 1.022 -22.396 750 HA LEU 97 HA LEU 97 -4.500 2.045 -23.290 751 HB2 LEU 97 1HB LEU 97 -5.678 2.208 -25.691 752 HB3 LEU 97 2HB LEU 97 -4.585 0.917 -25.239 753 HG LEU 97 HG LEU 97 -6.673 -0.398 -24.564 754 HD11 LEU 97 1HD1 LEU 97 -8.024 1.634 -26.333 755 HD12 LEU 97 2HD1 LEU 97 -8.755 0.207 -25.599 756 HD13 LEU 97 3HD1 LEU 97 -8.214 1.543 -24.582 757 HD21 LEU 97 3HD2 LEU 97 -5.322 -0.891 -26.523 758 HD22 LEU 97 1HD2 LEU 97 -7.036 -1.138 -26.859 759 HD23 LEU 97 2HD2 LEU 97 -6.217 0.307 -27.456 760 H ASP 98 H ASP 98 -5.758 3.313 -21.541 761 HA ASP 98 HA ASP 98 -8.034 4.781 -22.176 762 HB2 ASP 98 1HB ASP 98 -7.232 4.542 -19.879 763 HB3 ASP 98 2HB ASP 98 -5.810 5.510 -20.259 764 H ARG 99 H ARG 99 -8.414 6.461 -23.394 765 HA ARG 99 HA ARG 99 -6.417 8.478 -23.949 766 HB2 ARG 99 1HB ARG 99 -6.048 6.610 -25.639 767 HB3 ARG 99 2HB ARG 99 -7.651 6.969 -26.263 768 HG2 ARG 99 1HG ARG 99 -6.893 9.286 -26.726 769 HG3 ARG 99 2HG ARG 99 -5.268 8.807 -26.229 770 HD2 ARG 99 1HD ARG 99 -5.339 7.027 -27.980 771 HD3 ARG 99 2HD ARG 99 -6.870 7.701 -28.532 772 HE ARG 99 HE ARG 99 -4.939 9.745 -28.460 773 HH11 ARG 99 2HH1 ARG 99 -5.814 6.893 -30.299 774 HH12 ARG 99 1HH1 ARG 99 -4.985 7.409 -31.742 775 HH21 ARG 99 2HH2 ARG 99 -3.818 10.413 -30.344 776 HH22 ARG 99 1HH2 ARG 99 -3.867 9.421 -31.775 777 H HIS 100 H HIS 100 -8.491 8.954 -22.504 778 HA HIS 100 HA HIS 100 -10.944 9.350 -23.847 779 HB2 HIS 100 1HB HIS 100 -9.871 10.034 -21.165 780 HB3 HIS 100 2HB HIS 100 -11.269 10.945 -21.725 781 HD1 HIS 100 HD1 HIS 100 -10.212 7.350 -21.084 782 HD2 HIS 100 HD2 HIS 100 -13.656 9.656 -21.479 783 HE1 HIS 100 HE1 HIS 100 -12.129 5.815 -20.541 784 HE2 HIS 100 HE2 HIS 100 -14.202 7.230 -20.759 785 H PHE 101 H PHE 101 -11.858 11.050 -24.762 786 HA PHE 101 HA PHE 101 -10.632 13.671 -24.608 787 HB2 PHE 101 1HB PHE 101 -10.920 13.853 -27.194 788 HB3 PHE 101 2HB PHE 101 -9.469 13.106 -26.545 789 HD1 PHE 101 HD1 PHE 101 -12.930 11.834 -27.237 790 HD2 PHE 101 HD2 PHE 101 -8.744 11.434 -27.904 791 HE1 PHE 101 HE1 PHE 101 -13.340 9.822 -28.593 792 HE2 PHE 101 HE2 PHE 101 -9.149 9.423 -29.258 793 HZ PHE 101 HZ PHE 101 -11.449 8.617 -29.606 794 H GLU 102 H GLU 102 -12.860 12.756 -23.432 795 HA GLU 102 HA GLU 102 -15.255 13.146 -24.899 796 HB2 GLU 102 1HB GLU 102 -16.357 13.162 -22.705 797 HB3 GLU 102 2HB GLU 102 -15.226 11.828 -22.846 798 HG2 GLU 102 1HG GLU 102 -14.447 14.392 -21.505 799 HG3 GLU 102 2HG GLU 102 -15.336 13.139 -20.647 800 H LYS 103 H LYS 103 -13.155 15.231 -23.052 801 HA LYS 103 HA LYS 103 -14.862 17.540 -23.206 802 HB2 LYS 103 1HB LYS 103 -12.877 18.793 -22.420 803 HB3 LYS 103 2HB LYS 103 -13.265 17.425 -21.390 804 HG2 LYS 103 1HG LYS 103 -11.194 17.206 -23.545 805 HG3 LYS 103 2HG LYS 103 -10.806 17.873 -21.959 806 HD2 LYS 103 1HD LYS 103 -11.520 15.812 -20.893 807 HD3 LYS 103 2HD LYS 103 -12.001 15.149 -22.455 808 HE2 LYS 103 1HE LYS 103 -9.644 15.354 -23.206 809 HE3 LYS 103 2HE LYS 103 -9.210 15.871 -21.576 810 HZ1 LYS 103 3HZ LYS 103 -9.219 13.781 -20.860 811 HZ2 LYS 103 1HZ LYS 103 -9.304 13.297 -22.481 812 HZ3 LYS 103 2HZ LYS 103 -10.726 13.445 -21.567 813 H LYS 104 H LYS 104 -14.124 19.529 -24.360 814 HA LYS 104 HA LYS 104 -13.721 18.856 -27.121 815 HB2 LYS 104 1HB LYS 104 -14.195 21.439 -25.656 816 HB3 LYS 104 2HB LYS 104 -13.804 21.422 -27.370 817 HG2 LYS 104 1HG LYS 104 -16.161 21.560 -27.185 818 HG3 LYS 104 2HG LYS 104 -15.780 19.924 -27.720 819 HD2 LYS 104 1HD LYS 104 -16.054 19.112 -25.427 820 HD3 LYS 104 2HD LYS 104 -16.431 20.749 -24.890 821 HE2 LYS 104 1HE LYS 104 -18.402 20.784 -26.318 822 HE3 LYS 104 2HE LYS 104 -18.011 19.172 -26.914 823 HZ1 LYS 104 3HZ LYS 104 -18.095 18.579 -24.398 824 HZ2 LYS 104 1HZ LYS 104 -19.531 18.702 -25.287 825 HZ3 LYS 104 2HZ LYS 104 -19.043 19.976 -24.285 826 H LYS 105 H LYS 105 -11.481 17.962 -26.119 827 HA LYS 105 HA LYS 105 -9.486 19.450 -27.460 828 HB2 LYS 105 1HB LYS 105 -8.001 19.942 -25.584 829 HB3 LYS 105 2HB LYS 105 -9.520 20.809 -25.423 830 HG2 LYS 105 1HG LYS 105 -10.280 19.043 -23.841 831 HG3 LYS 105 2HG LYS 105 -8.659 18.353 -23.917 832 HD2 LYS 105 1HD LYS 105 -7.742 20.504 -23.133 833 HD3 LYS 105 2HD LYS 105 -9.387 21.125 -22.988 834 HE2 LYS 105 1HE LYS 105 -9.895 19.335 -21.377 835 HE3 LYS 105 2HE LYS 105 -8.225 18.781 -21.489 836 HZ1 LYS 105 3HZ LYS 105 -9.208 21.364 -20.412 837 HZ2 LYS 105 1HZ LYS 105 -7.569 21.063 -20.740 838 HZ3 LYS 105 2HZ LYS 105 -8.390 20.138 -19.575 839 H LYS 106 H LYS 106 -7.657 18.243 -27.843 840 HA LYS 106 HA LYS 106 -7.464 15.603 -26.624 841 HB2 LYS 106 1HB LYS 106 -8.850 15.246 -28.582 842 HB3 LYS 106 2HB LYS 106 -7.694 16.110 -29.583 843 HG2 LYS 106 1HG LYS 106 -6.020 14.328 -29.010 844 HG3 LYS 106 2HG LYS 106 -7.345 13.431 -28.267 845 HD2 LYS 106 1HD LYS 106 -8.534 13.385 -30.386 846 HD3 LYS 106 2HD LYS 106 -7.263 14.351 -31.135 847 HE2 LYS 106 1HE LYS 106 -5.647 12.545 -30.626 848 HE3 LYS 106 2HE LYS 106 -6.982 11.572 -30.011 849 HZ1 LYS 106 3HZ LYS 106 -7.700 12.489 -32.543 850 HZ2 LYS 106 1HZ LYS 106 -7.371 10.893 -32.063 851 HZ3 LYS 106 2HZ LYS 106 -6.121 11.876 -32.662 852 H VAL 107 H VAL 107 -6.142 17.882 -28.859 853 HA VAL 107 HA VAL 107 -3.611 17.996 -27.691 854 HB VAL 107 HB VAL 107 -3.332 15.729 -28.632 855 HG11 VAL 107 1HG1 VAL 107 -2.954 16.239 -31.368 856 HG12 VAL 107 2HG1 VAL 107 -4.179 15.217 -30.615 857 HG13 VAL 107 3HG1 VAL 107 -4.527 16.914 -30.946 858 HG21 VAL 107 3HG2 VAL 107 -1.219 16.185 -29.889 859 HG22 VAL 107 1HG2 VAL 107 -1.636 17.898 -29.847 860 HG23 VAL 107 2HG2 VAL 107 -1.351 17.023 -28.343 Start of MODEL 18 1 H1 GLY -1 1H GLY -1 -23.396 4.185 -11.025 2 H2 GLY -1 2H GLY -1 -22.126 3.321 -11.747 3 H3 GLY -1 3H GLY -1 -21.789 4.582 -10.665 4 HA2 GLY -1 1HA GLY -1 -23.423 2.856 -9.276 5 HA3 GLY -1 2HA GLY -1 -22.271 1.841 -10.131 6 H GLY 0 H GLY 0 -22.697 2.803 -7.238 7 HA2 GLY 0 2HA GLY 0 -19.895 2.939 -6.598 8 HA3 GLY 0 1HA GLY 0 -20.731 4.464 -6.334 9 H SER 1 H SER 1 -19.503 2.270 -4.588 10 HA SER 1 HA SER 1 -19.853 1.312 -2.567 11 HB2 SER 1 1HB SER 1 -22.136 3.295 -2.395 12 HB3 SER 1 2HB SER 1 -21.436 2.415 -1.036 13 HG SER 1 HG SER 1 -20.652 4.724 -1.987 14 H SER 2 H SER 2 -20.898 0.007 -4.760 15 HA SER 2 HA SER 2 -23.525 -0.991 -4.005 16 HB2 SER 2 1HB SER 2 -21.813 -1.735 -6.386 17 HB3 SER 2 2HB SER 2 -23.525 -2.097 -6.163 18 HG SER 2 HG SER 2 -23.607 0.378 -5.924 19 H ARG 3 H ARG 3 -20.182 -1.876 -3.971 20 HA ARG 3 HA ARG 3 -19.035 -3.562 -2.984 21 HB2 ARG 3 1HB ARG 3 -21.721 -4.473 -1.946 22 HB3 ARG 3 2HB ARG 3 -20.170 -5.140 -1.460 23 HG2 ARG 3 1HG ARG 3 -19.525 -2.980 -0.531 24 HG3 ARG 3 2HG ARG 3 -21.075 -2.300 -1.033 25 HD2 ARG 3 1HD ARG 3 -22.201 -4.030 0.365 26 HD3 ARG 3 2HD ARG 3 -20.613 -4.512 0.958 27 HE ARG 3 HE ARG 3 -22.157 -2.263 1.787 28 HH11 ARG 3 2HH1 ARG 3 -18.863 -3.455 1.465 29 HH12 ARG 3 1HH1 ARG 3 -18.211 -2.294 2.585 30 HH21 ARG 3 2HH2 ARG 3 -21.284 -0.743 3.239 31 HH22 ARG 3 1HH2 ARG 3 -19.585 -0.781 3.614 32 H HIS 4 H HIS 4 -18.255 -5.472 -3.634 33 HA HIS 4 HA HIS 4 -19.658 -7.613 -4.691 34 HB2 HIS 4 1HB HIS 4 -19.181 -7.536 -7.088 35 HB3 HIS 4 2HB HIS 4 -20.159 -6.148 -6.632 36 HD1 HIS 4 HD1 HIS 4 -18.755 -3.828 -6.376 37 HD2 HIS 4 HD2 HIS 4 -16.910 -6.926 -8.448 38 HE1 HIS 4 HE1 HIS 4 -16.834 -2.776 -7.594 39 HE2 HIS 4 HE2 HIS 4 -15.587 -4.702 -8.624 40 H GLN 5 H GLN 5 -16.704 -5.723 -4.922 41 HA GLN 5 HA GLN 5 -15.091 -7.898 -3.978 42 HB2 GLN 5 1HB GLN 5 -14.901 -6.973 -6.836 43 HB3 GLN 5 2HB GLN 5 -13.486 -7.580 -5.996 44 HG2 GLN 5 1HG GLN 5 -14.648 -9.694 -5.603 45 HG3 GLN 5 2HG GLN 5 -16.038 -9.081 -6.495 46 HE21 GLN 5 1HE2 GLN 5 -13.530 -11.067 -6.756 47 HE22 GLN 5 2HE2 GLN 5 -13.212 -10.956 -8.458 48 H PHE 6 H PHE 6 -12.750 -7.178 -3.917 49 HA PHE 6 HA PHE 6 -12.520 -4.524 -2.863 50 HB2 PHE 6 1HB PHE 6 -11.105 -6.406 -2.091 51 HB3 PHE 6 2HB PHE 6 -10.360 -6.485 -3.685 52 HD1 PHE 6 HD2 PHE 6 -11.173 -3.660 -1.382 53 HD2 PHE 6 HD1 PHE 6 -8.195 -5.767 -3.574 54 HE1 PHE 6 HE2 PHE 6 -9.494 -2.007 -0.681 55 HE2 PHE 6 HE1 PHE 6 -6.509 -4.118 -2.873 56 HZ PHE 6 HZ PHE 6 -7.157 -2.235 -1.426 57 H ASP 7 H ASP 7 -12.358 -5.960 -5.949 58 HA ASP 7 HA ASP 7 -12.138 -5.139 -8.038 59 HB2 ASP 7 1HB ASP 7 -12.394 -2.641 -6.474 60 HB3 ASP 7 2HB ASP 7 -11.656 -2.483 -8.065 61 H LEU 8 H LEU 8 -10.272 -6.438 -7.827 62 HA LEU 8 HA LEU 8 -7.757 -5.515 -7.080 63 HB2 LEU 8 1HB LEU 8 -8.519 -7.756 -8.873 64 HB3 LEU 8 2HB LEU 8 -7.039 -7.656 -7.954 65 HG LEU 8 HG LEU 8 -8.241 -9.113 -6.708 66 HD11 LEU 8 1HD1 LEU 8 -8.189 -8.089 -4.770 67 HD12 LEU 8 2HD1 LEU 8 -8.020 -6.580 -5.666 68 HD13 LEU 8 3HD1 LEU 8 -9.617 -7.141 -5.183 69 HD21 LEU 8 3HD2 LEU 8 -10.401 -9.567 -6.879 70 HD22 LEU 8 1HD2 LEU 8 -10.860 -7.897 -6.549 71 HD23 LEU 8 2HD2 LEU 8 -10.400 -8.382 -8.184 72 H ILE 9 H ILE 9 -6.377 -4.246 -8.160 73 HA ILE 9 HA ILE 9 -5.473 -4.889 -10.782 74 HB ILE 9 HB ILE 9 -5.791 -2.261 -11.225 75 HG12 ILE 9 1HG1 ILE 9 -8.106 -1.654 -10.787 76 HG13 ILE 9 2HG1 ILE 9 -8.340 -3.173 -9.937 77 HG21 ILE 9 1HG2 ILE 9 -6.388 -3.260 -13.115 78 HG22 ILE 9 2HG2 ILE 9 -6.966 -4.687 -12.257 79 HG23 ILE 9 3HG2 ILE 9 -8.028 -3.295 -12.466 80 HD11 ILE 9 3HD1 ILE 9 -7.440 -0.687 -8.933 81 HD12 ILE 9 1HD1 ILE 9 -7.724 -2.193 -8.064 82 HD13 ILE 9 2HD1 ILE 9 -6.136 -1.863 -8.751 83 H MET 10 H MET 10 -4.165 -4.878 -8.421 84 HA MET 10 HA MET 10 -3.102 -2.370 -7.736 85 HB2 MET 10 1HB MET 10 -1.140 -4.355 -7.114 86 HB3 MET 10 2HB MET 10 -2.177 -3.456 -6.028 87 HG2 MET 10 1HG MET 10 -3.067 -5.959 -7.415 88 HG3 MET 10 2HG MET 10 -2.237 -5.967 -5.865 89 HE1 MET 10 3HE MET 10 -4.287 -4.358 -3.408 90 HE2 MET 10 1HE MET 10 -2.793 -4.036 -4.293 91 HE3 MET 10 2HE MET 10 -4.207 -3.005 -4.537 92 H CYS 11 H CYS 11 -1.589 -1.212 -8.460 93 HA CYS 11 HA CYS 11 -0.456 -1.176 -10.889 94 HB2 CYS 11 1HB CYS 11 -0.373 0.618 -9.232 95 HB3 CYS 11 2HB CYS 11 0.766 -0.297 -8.266 96 H LEU 12 H LEU 12 0.952 -2.724 -8.035 97 HA LEU 12 HA LEU 12 2.738 -4.086 -7.727 98 HB2 LEU 12 1HB LEU 12 0.626 -5.182 -9.262 99 HB3 LEU 12 2HB LEU 12 2.131 -5.927 -9.776 100 HG LEU 12 HG LEU 12 2.625 -6.589 -7.502 101 HD11 LEU 12 1HD1 LEU 12 0.028 -5.992 -6.354 102 HD12 LEU 12 2HD1 LEU 12 1.644 -5.778 -5.681 103 HD13 LEU 12 3HD1 LEU 12 0.962 -4.544 -6.740 104 HD21 LEU 12 3HD2 LEU 12 1.258 -8.049 -8.922 105 HD22 LEU 12 1HD2 LEU 12 0.891 -8.234 -7.206 106 HD23 LEU 12 2HD2 LEU 12 -0.192 -7.306 -8.248 107 H LYS 13 H LYS 13 3.981 -2.141 -9.003 108 HA LYS 13 HA LYS 13 5.595 -3.461 -11.065 109 HB2 LYS 13 1HB LYS 13 5.707 -0.625 -10.036 110 HB3 LYS 13 2HB LYS 13 6.712 -1.286 -11.317 111 HG2 LYS 13 1HG LYS 13 4.655 -1.719 -12.627 112 HG3 LYS 13 2HG LYS 13 3.740 -0.869 -11.374 113 HD2 LYS 13 1HD LYS 13 5.312 1.060 -11.713 114 HD3 LYS 13 2HD LYS 13 5.890 0.220 -13.156 115 HE2 LYS 13 1HE LYS 13 3.010 0.882 -12.647 116 HE3 LYS 13 2HE LYS 13 4.115 1.917 -13.523 117 HZ1 LYS 13 3HZ LYS 13 2.964 -0.652 -14.317 118 HZ2 LYS 13 1HZ LYS 13 4.513 -0.262 -14.893 119 HZ3 LYS 13 2HZ LYS 13 3.196 0.750 -15.240 120 H GLN 14 H GLN 14 7.862 -1.672 -10.164 121 HA GLN 14 HA GLN 14 8.875 -3.451 -8.078 122 HB2 GLN 14 1HB GLN 14 10.064 -1.668 -10.129 123 HB3 GLN 14 2HB GLN 14 10.943 -1.835 -8.622 124 HG2 GLN 14 1HG GLN 14 11.675 -3.405 -10.380 125 HG3 GLN 14 2HG GLN 14 11.125 -4.201 -8.907 126 HE21 GLN 14 1HE2 GLN 14 9.801 -5.830 -9.159 127 HE22 GLN 14 2HE2 GLN 14 8.805 -6.147 -10.542 128 HA PRO 15 HA PRO 15 7.504 -0.403 -5.098 129 HB2 PRO 15 1HB PRO 15 9.228 -2.062 -3.329 130 HB3 PRO 15 2HB PRO 15 7.547 -1.559 -3.118 131 HG2 PRO 15 1HG PRO 15 8.130 -4.060 -3.805 132 HG3 PRO 15 2HG PRO 15 6.732 -3.224 -4.512 133 HD2 PRO 15 1HD PRO 15 9.417 -3.781 -5.710 134 HD3 PRO 15 2HD PRO 15 7.811 -3.824 -6.468 135 H GLY 16 H GLY 16 8.362 1.520 -4.685 136 HA2 GLY 16 2HA GLY 16 11.247 1.869 -4.960 137 HA3 GLY 16 1HA GLY 16 10.034 3.140 -5.011 138 H VAL 17 H VAL 17 10.519 4.515 -3.428 139 HA VAL 17 HA VAL 17 11.268 3.405 -0.813 140 HB VAL 17 HB VAL 17 13.017 4.746 -1.872 141 HG11 VAL 17 1HG1 VAL 17 12.522 7.317 -1.840 142 HG12 VAL 17 2HG1 VAL 17 12.063 6.332 -3.231 143 HG13 VAL 17 3HG1 VAL 17 10.849 6.787 -2.035 144 HG21 VAL 17 3HG2 VAL 17 13.592 5.153 0.228 145 HG22 VAL 17 1HG2 VAL 17 12.686 6.663 0.137 146 HG23 VAL 17 2HG2 VAL 17 11.901 5.200 0.730 147 H GLN 18 H GLN 18 9.159 5.783 -2.383 148 HA GLN 18 HA GLN 18 8.219 6.997 -0.040 149 HB2 GLN 18 1HB GLN 18 7.112 6.794 -2.815 150 HB3 GLN 18 2HB GLN 18 6.152 7.516 -1.533 151 HG2 GLN 18 1HG GLN 18 8.078 9.063 -1.093 152 HG3 GLN 18 2HG GLN 18 8.824 8.434 -2.561 153 HE21 GLN 18 1HE2 GLN 18 8.697 10.012 -4.001 154 HE22 GLN 18 2HE2 GLN 18 7.264 10.902 -4.404 155 H THR 19 H THR 19 6.950 6.370 1.494 156 HA THR 19 HA THR 19 5.850 3.740 1.527 157 HB THR 19 HB THR 19 5.305 5.943 3.525 158 HG1 THR 19 HG1 THR 19 7.589 5.726 3.096 159 HG21 THR 19 1HG2 THR 19 4.430 4.337 4.809 160 HG22 THR 19 2HG2 THR 19 5.815 3.279 4.539 161 HG23 THR 19 3HG2 THR 19 4.476 3.288 3.391 162 H GLY 20 H GLY 20 3.825 3.069 1.117 163 HA2 GLY 20 2HA GLY 20 1.976 4.790 -0.208 164 HA3 GLY 20 1HA GLY 20 1.688 3.121 0.269 165 H LEU 21 H LEU 21 0.375 5.977 0.566 166 HA LEU 21 HA LEU 21 -0.120 5.875 3.445 167 HB2 LEU 21 1HB LEU 21 -0.630 8.007 1.384 168 HB3 LEU 21 2HB LEU 21 -1.165 8.114 3.049 169 HG LEU 21 HG LEU 21 1.729 7.753 2.340 170 HD11 LEU 21 1HD1 LEU 21 2.048 10.001 2.143 171 HD12 LEU 21 2HD1 LEU 21 0.438 9.871 1.435 172 HD13 LEU 21 3HD1 LEU 21 0.624 10.398 3.108 173 HD21 LEU 21 3HD2 LEU 21 0.191 8.585 4.784 174 HD22 LEU 21 1HD2 LEU 21 1.278 7.210 4.593 175 HD23 LEU 21 2HD2 LEU 21 1.926 8.851 4.606 176 H LEU 22 H LEU 22 -2.124 5.766 4.334 177 HA LEU 22 HA LEU 22 -4.347 5.027 2.544 178 HB2 LEU 22 1HB LEU 22 -3.885 4.289 5.436 179 HB3 LEU 22 2HB LEU 22 -5.296 3.845 4.495 180 HG LEU 22 HG LEU 22 -2.475 2.927 4.055 181 HD11 LEU 22 1HD1 LEU 22 -3.452 0.708 4.539 182 HD12 LEU 22 2HD1 LEU 22 -3.517 1.815 5.912 183 HD13 LEU 22 3HD1 LEU 22 -4.968 1.504 4.956 184 HD21 LEU 22 3HD2 LEU 22 -3.164 2.894 1.905 185 HD22 LEU 22 1HD2 LEU 22 -3.897 1.377 2.428 186 HD23 LEU 22 2HD2 LEU 22 -4.871 2.844 2.339 187 H CYS 23 H CYS 23 -6.325 5.979 2.872 188 HA CYS 23 HA CYS 23 -6.393 8.435 4.408 189 HB2 CYS 23 1HB CYS 23 -8.425 8.913 3.369 190 HB3 CYS 23 2HB CYS 23 -7.586 7.996 2.127 191 H GLU 24 H GLU 24 -7.942 8.755 6.134 192 HA GLU 24 HA GLU 24 -7.794 6.774 8.066 193 HB2 GLU 24 1HB GLU 24 -9.791 9.031 7.927 194 HB3 GLU 24 2HB GLU 24 -9.355 8.128 9.373 195 HG2 GLU 24 1HG GLU 24 -7.011 8.921 9.070 196 HG3 GLU 24 2HG GLU 24 -7.586 9.949 7.760 197 H LYS 25 H LYS 25 -10.165 7.221 5.584 198 HA LYS 25 HA LYS 25 -12.214 5.612 6.715 199 HB2 LYS 25 1HB LYS 25 -11.660 6.318 3.833 200 HB3 LYS 25 2HB LYS 25 -13.141 5.583 4.426 201 HG2 LYS 25 1HG LYS 25 -12.110 8.272 5.293 202 HG3 LYS 25 2HG LYS 25 -13.325 8.015 4.041 203 HD2 LYS 25 1HD LYS 25 -14.758 6.889 5.707 204 HD3 LYS 25 2HD LYS 25 -13.554 7.238 6.949 205 HE2 LYS 25 1HE LYS 25 -13.860 9.623 6.608 206 HE3 LYS 25 2HE LYS 25 -14.997 9.309 5.298 207 HZ1 LYS 25 3HZ LYS 25 -16.407 8.140 6.964 208 HZ2 LYS 25 1HZ LYS 25 -16.242 9.806 7.241 209 HZ3 LYS 25 2HZ LYS 25 -15.364 8.698 8.179 210 H CYS 26 H CYS 26 -9.234 4.839 5.107 211 HA CYS 26 HA CYS 26 -10.067 2.007 5.069 212 HB2 CYS 26 1HB CYS 26 -7.816 3.137 3.399 213 HB3 CYS 26 2HB CYS 26 -8.532 1.535 3.295 214 H ASP 27 H ASP 27 -8.944 3.794 7.169 215 HA ASP 27 HA ASP 27 -6.200 3.183 7.461 216 HB2 ASP 27 1HB ASP 27 -7.205 5.172 8.480 217 HB3 ASP 27 2HB ASP 27 -8.162 4.151 9.548 218 H GLY 28 H GLY 28 -5.193 1.567 8.364 219 HA2 GLY 28 2HA GLY 28 -4.781 -0.253 9.737 220 HA3 GLY 28 1HA GLY 28 -6.417 -0.114 10.365 221 H LYS 29 H LYS 29 -6.009 -0.232 6.949 222 HA LYS 29 HA LYS 29 -6.877 -3.048 6.961 223 HB2 LYS 29 1HB LYS 29 -7.324 -1.024 4.760 224 HB3 LYS 29 2HB LYS 29 -7.961 -2.656 4.835 225 HG2 LYS 29 1HG LYS 29 -9.351 -2.046 6.736 226 HG3 LYS 29 2HG LYS 29 -8.694 -0.406 6.697 227 HD2 LYS 29 1HD LYS 29 -9.579 -0.115 4.431 228 HD3 LYS 29 2HD LYS 29 -10.245 -1.749 4.483 229 HE2 LYS 29 1HE LYS 29 -11.647 -1.098 6.390 230 HE3 LYS 29 2HE LYS 29 -10.996 0.538 6.302 231 HZ1 LYS 29 3HZ LYS 29 -13.127 -0.594 4.843 232 HZ2 LYS 29 1HZ LYS 29 -11.921 -0.108 3.757 233 HZ3 LYS 29 2HZ LYS 29 -12.583 1.008 4.846 234 H CYS 30 H CYS 30 -5.587 -4.487 5.964 235 HA CYS 30 HA CYS 30 -3.085 -3.655 4.818 236 HB2 CYS 30 1HB CYS 30 -3.169 -5.748 6.014 237 HB3 CYS 30 2HB CYS 30 -4.475 -6.333 4.992 238 HA PRO 31 HA PRO 31 -4.944 -2.532 0.953 239 HB2 PRO 31 1HB PRO 31 -2.544 -2.572 -0.482 240 HB3 PRO 31 2HB PRO 31 -3.214 -1.189 0.389 241 HG2 PRO 31 1HG PRO 31 -1.134 -3.147 1.247 242 HG3 PRO 31 2HG PRO 31 -1.237 -1.406 1.563 243 HD2 PRO 31 1HD PRO 31 -1.845 -3.182 3.460 244 HD3 PRO 31 2HD PRO 31 -2.784 -1.685 3.280 245 H ILE 32 H ILE 32 -2.596 -5.184 1.034 246 HA ILE 32 HA ILE 32 -3.156 -6.208 -1.509 247 HB ILE 32 HB ILE 32 -2.172 -7.731 0.906 248 HG12 ILE 32 1HG1 ILE 32 -0.863 -5.645 0.083 249 HG13 ILE 32 2HG1 ILE 32 0.019 -7.145 0.339 250 HG21 ILE 32 1HG2 ILE 32 -1.985 -8.372 -2.034 251 HG22 ILE 32 2HG2 ILE 32 -1.225 -9.288 -0.733 252 HG23 ILE 32 3HG2 ILE 32 -2.983 -9.206 -0.843 253 HD11 ILE 32 3HD1 ILE 32 -1.026 -6.684 -2.382 254 HD12 ILE 32 1HD1 ILE 32 0.289 -5.640 -1.843 255 HD13 ILE 32 2HD1 ILE 32 0.502 -7.393 -1.847 256 H CYS 33 H CYS 33 -4.279 -7.458 1.642 257 HA CYS 33 HA CYS 33 -6.076 -9.207 0.191 258 HB2 CYS 33 1HB CYS 33 -6.236 -10.470 2.288 259 HB3 CYS 33 2HB CYS 33 -4.569 -10.241 1.776 260 H ASP 34 H ASP 34 -6.311 -6.383 2.146 261 HA ASP 34 HA ASP 34 -8.085 -5.147 2.855 262 HB2 ASP 34 1HB ASP 34 -9.244 -5.457 0.788 263 HB3 ASP 34 2HB ASP 34 -9.651 -7.122 1.188 264 H SER 35 H SER 35 -7.543 -5.734 4.957 265 HA SER 35 HA SER 35 -9.570 -6.956 6.488 266 HB2 SER 35 1HB SER 35 -8.540 -9.016 5.487 267 HB3 SER 35 2HB SER 35 -7.023 -8.581 6.273 268 HG SER 35 HG SER 35 -9.450 -8.879 7.717 269 H TYR 36 H TYR 36 -9.290 -6.581 8.684 270 HA TYR 36 HA TYR 36 -7.174 -4.711 9.377 271 HB2 TYR 36 1HB TYR 36 -9.568 -5.761 10.891 272 HB3 TYR 36 2HB TYR 36 -8.357 -4.726 11.632 273 HD1 TYR 36 HD1 TYR 36 -10.273 -4.673 8.407 274 HD2 TYR 36 HD2 TYR 36 -9.076 -2.576 11.909 275 HE1 TYR 36 HE1 TYR 36 -11.513 -2.692 7.640 276 HE2 TYR 36 HE2 TYR 36 -10.312 -0.593 11.153 277 HH TYR 36 HH TYR 36 -11.327 0.376 9.367 278 H VAL 37 H VAL 37 -6.383 -7.415 8.791 279 HA VAL 37 HA VAL 37 -5.859 -8.760 11.273 280 HB VAL 37 HB VAL 37 -6.242 -9.995 9.162 281 HG11 VAL 37 1HG1 VAL 37 -4.644 -10.070 7.417 282 HG12 VAL 37 2HG1 VAL 37 -5.003 -8.373 7.731 283 HG13 VAL 37 3HG1 VAL 37 -3.504 -9.083 8.333 284 HG21 VAL 37 3HG2 VAL 37 -3.523 -10.490 10.373 285 HG22 VAL 37 1HG2 VAL 37 -5.062 -11.082 11.003 286 HG23 VAL 37 2HG2 VAL 37 -4.473 -11.649 9.441 287 H ARG 38 H ARG 38 -3.685 -9.267 12.023 288 HA ARG 38 HA ARG 38 -2.215 -7.088 12.687 289 HB2 ARG 38 1HB ARG 38 -1.914 -8.982 13.995 290 HB3 ARG 38 2HB ARG 38 -1.647 -10.026 12.606 291 HG2 ARG 38 1HG ARG 38 0.521 -9.030 12.255 292 HG3 ARG 38 2HG ARG 38 0.260 -7.946 13.618 293 HD2 ARG 38 1HD ARG 38 1.655 -9.800 14.308 294 HD3 ARG 38 2HD ARG 38 0.090 -9.895 15.110 295 HE ARG 38 HE ARG 38 -0.097 -11.456 12.829 296 HH11 ARG 38 2HH1 ARG 38 1.823 -11.400 15.754 297 HH12 ARG 38 1HH1 ARG 38 2.038 -13.124 15.801 298 HH21 ARG 38 2HH2 ARG 38 0.158 -13.728 12.893 299 HH22 ARG 38 1HH2 ARG 38 1.073 -14.457 14.186 300 HA PRO 39 HA PRO 39 0.092 -6.086 8.984 301 HB2 PRO 39 1HB PRO 39 1.542 -4.232 10.722 302 HB3 PRO 39 2HB PRO 39 0.484 -3.881 9.353 303 HG2 PRO 39 1HG PRO 39 -0.227 -3.323 11.892 304 HG3 PRO 39 2HG PRO 39 -1.408 -3.816 10.664 305 HD2 PRO 39 1HD PRO 39 -0.130 -5.455 12.828 306 HD3 PRO 39 2HD PRO 39 -1.828 -5.416 12.303 307 H LYS 40 H LYS 40 2.686 -5.287 8.924 308 HA LYS 40 HA LYS 40 4.395 -6.826 10.609 309 HB2 LYS 40 1HB LYS 40 3.344 -8.547 9.043 310 HB3 LYS 40 2HB LYS 40 4.250 -7.772 7.750 311 HG2 LYS 40 1HG LYS 40 5.462 -9.687 8.505 312 HG3 LYS 40 2HG LYS 40 6.337 -8.236 9.000 313 HD2 LYS 40 1HD LYS 40 5.407 -8.434 11.249 314 HD3 LYS 40 2HD LYS 40 4.494 -9.861 10.752 315 HE2 LYS 40 1HE LYS 40 6.487 -10.530 11.947 316 HE3 LYS 40 2HE LYS 40 6.604 -11.016 10.255 317 HZ1 LYS 40 3HZ LYS 40 8.133 -9.320 9.805 318 HZ2 LYS 40 1HZ LYS 40 8.641 -9.973 11.287 319 HZ3 LYS 40 2HZ LYS 40 7.802 -8.497 11.255 320 H ARG 41 H ARG 41 4.118 -5.346 7.372 321 HA ARG 41 HA ARG 41 6.610 -3.887 7.914 322 HB2 ARG 41 1HB ARG 41 7.094 -6.011 6.644 323 HB3 ARG 41 2HB ARG 41 6.119 -5.374 5.327 324 HG2 ARG 41 1HG ARG 41 8.335 -4.907 4.737 325 HG3 ARG 41 2HG ARG 41 7.685 -3.375 5.330 326 HD2 ARG 41 1HD ARG 41 8.692 -3.885 7.551 327 HD3 ARG 41 2HD ARG 41 9.449 -5.305 6.833 328 HE ARG 41 HE ARG 41 10.371 -2.637 6.681 329 HH11 ARG 41 2HH1 ARG 41 10.148 -5.568 4.757 330 HH12 ARG 41 1HH1 ARG 41 11.472 -5.135 3.715 331 HH21 ARG 41 2HH2 ARG 41 12.125 -2.079 5.326 332 HH22 ARG 41 1HH2 ARG 41 12.606 -3.165 4.055 333 H LYS 42 H LYS 42 6.727 -1.879 7.023 334 HA LYS 42 HA LYS 42 4.350 -0.584 6.249 335 HB2 LYS 42 1HB LYS 42 7.137 0.399 5.644 336 HB3 LYS 42 2HB LYS 42 5.686 1.362 5.868 337 HG2 LYS 42 1HG LYS 42 5.626 0.575 8.238 338 HG3 LYS 42 2HG LYS 42 7.202 -0.168 7.964 339 HD2 LYS 42 1HD LYS 42 7.673 1.926 8.926 340 HD3 LYS 42 2HD LYS 42 7.974 2.135 7.199 341 HE2 LYS 42 1HE LYS 42 5.635 3.030 7.005 342 HE3 LYS 42 2HE LYS 42 5.560 3.020 8.766 343 HZ1 LYS 42 3HZ LYS 42 7.413 4.553 8.837 344 HZ2 LYS 42 1HZ LYS 42 6.172 5.191 7.869 345 HZ3 LYS 42 2HZ LYS 42 7.551 4.520 7.145 346 H VAL 43 H VAL 43 3.462 -0.093 4.398 347 HA VAL 43 HA VAL 43 4.235 -1.499 2.024 348 HB VAL 43 HB VAL 43 2.017 0.394 2.750 349 HG11 VAL 43 1HG1 VAL 43 1.153 -0.156 0.397 350 HG12 VAL 43 2HG1 VAL 43 2.367 1.108 0.580 351 HG13 VAL 43 3HG1 VAL 43 2.843 -0.495 0.022 352 HG21 VAL 43 3HG2 VAL 43 2.371 -2.481 2.484 353 HG22 VAL 43 1HG2 VAL 43 1.127 -1.565 3.336 354 HG23 VAL 43 2HG2 VAL 43 0.966 -1.874 1.606 355 H ARG 44 H ARG 44 5.370 -0.730 0.320 356 HA ARG 44 HA ARG 44 5.817 2.173 0.175 357 HB2 ARG 44 1HB ARG 44 7.779 -0.060 -0.207 358 HB3 ARG 44 2HB ARG 44 7.995 1.454 -1.075 359 HG2 ARG 44 1HG ARG 44 8.076 2.671 1.019 360 HG3 ARG 44 2HG ARG 44 7.790 1.178 1.916 361 HD2 ARG 44 1HD ARG 44 9.881 0.287 1.282 362 HD3 ARG 44 2HD ARG 44 10.120 1.528 0.051 363 HE ARG 44 HE ARG 44 9.904 2.859 2.465 364 HH11 ARG 44 2HH1 ARG 44 12.035 0.425 1.116 365 HH12 ARG 44 1HH1 ARG 44 13.442 1.033 1.943 366 HH21 ARG 44 2HH2 ARG 44 11.726 3.640 3.548 367 HH22 ARG 44 1HH2 ARG 44 13.264 2.852 3.340 368 H VAL 45 H VAL 45 5.216 3.085 -1.669 369 HA VAL 45 HA VAL 45 4.011 1.469 -3.724 370 HB VAL 45 HB VAL 45 3.534 3.584 -4.874 371 HG11 VAL 45 1HG1 VAL 45 2.550 2.760 -2.382 372 HG12 VAL 45 2HG1 VAL 45 2.683 4.517 -2.305 373 HG13 VAL 45 3HG1 VAL 45 1.739 3.758 -3.589 374 HG21 VAL 45 3HG2 VAL 45 5.474 4.889 -4.408 375 HG22 VAL 45 1HG2 VAL 45 4.096 5.730 -3.702 376 HG23 VAL 45 2HG2 VAL 45 5.188 4.806 -2.670 377 H CYS 46 H CYS 46 4.676 1.383 -5.907 378 HA CYS 46 HA CYS 46 7.399 0.910 -6.273 379 HB2 CYS 46 1HB CYS 46 6.909 0.445 -8.520 380 HB3 CYS 46 2HB CYS 46 5.416 0.063 -7.674 381 H GLU 47 H GLU 47 8.947 2.005 -7.572 382 HA GLU 47 HA GLU 47 9.295 4.686 -6.960 383 HB2 GLU 47 1HB GLU 47 11.116 3.183 -7.627 384 HB3 GLU 47 2HB GLU 47 10.479 3.125 -9.264 385 HG2 GLU 47 1HG GLU 47 10.968 5.455 -9.591 386 HG3 GLU 47 2HG GLU 47 11.463 5.623 -7.906 387 H ASN 48 H ASN 48 7.812 3.211 -9.800 388 HA ASN 48 HA ASN 48 7.628 5.459 -11.437 389 HB2 ASN 48 1HB ASN 48 5.716 3.128 -11.202 390 HB3 ASN 48 2HB ASN 48 5.717 4.298 -12.518 391 HD21 ASN 48 1HD2 ASN 48 6.742 3.683 -14.269 392 HD22 ASN 48 2HD2 ASN 48 8.051 2.546 -14.338 393 H CYS 49 H CYS 49 5.491 4.366 -8.843 394 HA CYS 49 HA CYS 49 3.528 6.399 -9.262 395 HB2 CYS 49 1HB CYS 49 4.083 4.469 -7.027 396 HB3 CYS 49 2HB CYS 49 2.891 5.747 -6.834 397 H SER 50 H SER 50 6.560 6.283 -7.537 398 HA SER 50 HA SER 50 5.842 8.394 -5.759 399 HB2 SER 50 1HB SER 50 8.128 8.296 -4.964 400 HB3 SER 50 2HB SER 50 7.477 6.670 -5.118 401 HG SER 50 HG SER 50 8.557 6.909 -7.362 402 H PHE 51 H PHE 51 7.666 8.180 -8.779 403 HA PHE 51 HA PHE 51 8.109 11.049 -8.681 404 HB2 PHE 51 1HB PHE 51 9.419 10.756 -10.731 405 HB3 PHE 51 2HB PHE 51 10.002 9.757 -9.424 406 HD1 PHE 51 HD2 PHE 51 7.653 9.494 -12.333 407 HD2 PHE 51 HD1 PHE 51 10.670 7.650 -9.968 408 HE1 PHE 51 HE2 PHE 51 7.657 7.561 -13.852 409 HE2 PHE 51 HE1 PHE 51 10.685 5.717 -11.489 410 HZ PHE 51 HZ PHE 51 9.173 5.668 -13.432 411 H GLY 52 H GLY 52 6.078 8.730 -10.318 412 HA2 GLY 52 2HA GLY 52 5.097 10.768 -12.161 413 HA3 GLY 52 1HA GLY 52 4.686 9.062 -12.182 414 H LYS 53 H LYS 53 4.538 11.007 -9.288 415 HA LYS 53 HA LYS 53 2.853 11.640 -7.913 416 HB2 LYS 53 1HB LYS 53 1.389 11.894 -10.542 417 HB3 LYS 53 2HB LYS 53 0.716 12.420 -9.008 418 HG2 LYS 53 1HG LYS 53 1.573 14.350 -9.999 419 HG3 LYS 53 2HG LYS 53 2.764 13.895 -8.780 420 HD2 LYS 53 1HD LYS 53 4.106 12.806 -10.540 421 HD3 LYS 53 2HD LYS 53 2.934 13.347 -11.741 422 HE2 LYS 53 1HE LYS 53 4.818 14.841 -11.704 423 HE3 LYS 53 2HE LYS 53 3.381 15.665 -11.105 424 HZ1 LYS 53 3HZ LYS 53 5.684 15.800 -9.853 425 HZ2 LYS 53 1HZ LYS 53 5.114 14.371 -9.138 426 HZ3 LYS 53 2HZ LYS 53 4.210 15.800 -9.011 427 H GLN 54 H GLN 54 0.305 11.177 -7.529 428 HA GLN 54 HA GLN 54 -1.229 9.656 -6.872 429 HB2 GLN 54 1HB GLN 54 -0.209 8.447 -9.390 430 HB3 GLN 54 2HB GLN 54 -1.206 7.446 -8.342 431 HG2 GLN 54 1HG GLN 54 -2.832 8.345 -9.595 432 HG3 GLN 54 2HG GLN 54 -2.724 9.583 -8.351 433 HE21 GLN 54 1HE2 GLN 54 0.019 9.849 -10.206 434 HE22 GLN 54 2HE2 GLN 54 -0.529 11.039 -11.335 435 H ALA 55 H ALA 55 0.682 9.705 -5.213 436 HA ALA 55 HA ALA 55 1.194 6.899 -4.531 437 HB1 ALA 55 3HB ALA 55 3.426 7.114 -4.492 438 HB2 ALA 55 1HB ALA 55 3.129 8.480 -5.569 439 HB3 ALA 55 2HB ALA 55 3.358 8.753 -3.841 440 H LYS 56 H LYS 56 0.741 10.219 -3.539 441 HA LYS 56 HA LYS 56 0.874 9.635 -0.714 442 HB2 LYS 56 1HB LYS 56 0.200 12.043 -2.342 443 HB3 LYS 56 2HB LYS 56 -0.321 11.978 -0.675 444 HG2 LYS 56 1HG LYS 56 1.814 13.172 -0.965 445 HG3 LYS 56 2HG LYS 56 1.928 11.787 0.116 446 HD2 LYS 56 1HD LYS 56 3.841 11.581 -1.156 447 HD3 LYS 56 2HD LYS 56 2.715 10.518 -2.001 448 HE2 LYS 56 1HE LYS 56 2.282 12.230 -3.654 449 HE3 LYS 56 2HE LYS 56 3.278 13.383 -2.764 450 HZ1 LYS 56 3HZ LYS 56 5.011 12.668 -3.919 451 HZ2 LYS 56 1HZ LYS 56 4.079 11.482 -4.691 452 HZ3 LYS 56 2HZ LYS 56 4.848 11.137 -3.219 453 H ASN 57 H ASN 57 -1.598 10.023 -3.196 454 HA ASN 57 HA ASN 57 -3.794 10.127 -1.450 455 HB2 ASN 57 1HB ASN 57 -5.209 9.819 -3.304 456 HB3 ASN 57 2HB ASN 57 -3.813 10.659 -3.957 457 HD21 ASN 57 1HD2 ASN 57 -3.165 9.934 -5.831 458 HD22 ASN 57 2HD2 ASN 57 -3.325 8.309 -6.413 459 H CYS 58 H CYS 58 -5.110 8.632 -0.642 460 HA CYS 58 HA CYS 58 -4.098 6.405 0.474 461 HB2 CYS 58 1HB CYS 58 -6.211 7.341 1.174 462 HB3 CYS 58 2HB CYS 58 -6.960 6.897 -0.353 463 H ILE 59 H ILE 59 -3.129 4.778 -0.458 464 HA ILE 59 HA ILE 59 -3.388 4.047 -3.105 465 HB ILE 59 HB ILE 59 -2.120 1.975 -2.462 466 HG12 ILE 59 1HG1 ILE 59 -2.488 3.184 0.287 467 HG13 ILE 59 2HG1 ILE 59 -2.950 1.570 -0.238 468 HG21 ILE 59 1HG2 ILE 59 -0.507 3.438 -2.953 469 HG22 ILE 59 2HG2 ILE 59 -1.385 4.764 -2.189 470 HG23 ILE 59 3HG2 ILE 59 -0.354 3.716 -1.216 471 HD11 ILE 59 3HD1 ILE 59 -0.594 2.341 1.049 472 HD12 ILE 59 1HD1 ILE 59 -0.972 0.763 0.336 473 HD13 ILE 59 2HD1 ILE 59 -0.136 1.981 -0.624 474 H ILE 60 H ILE 60 -5.270 2.981 -0.399 475 HA ILE 60 HA ILE 60 -6.247 0.605 -1.643 476 HB ILE 60 HB ILE 60 -7.069 2.092 0.836 477 HG12 ILE 60 1HG1 ILE 60 -5.798 -0.609 0.328 478 HG13 ILE 60 2HG1 ILE 60 -4.986 0.828 0.941 479 HG21 ILE 60 1HG2 ILE 60 -8.216 -0.577 0.131 480 HG22 ILE 60 2HG2 ILE 60 -8.779 0.610 1.307 481 HG23 ILE 60 3HG2 ILE 60 -8.999 0.906 -0.419 482 HD11 ILE 60 3HD1 ILE 60 -5.646 -0.994 2.601 483 HD12 ILE 60 1HD1 ILE 60 -6.030 0.678 3.012 484 HD13 ILE 60 2HD1 ILE 60 -7.293 -0.393 2.404 485 H CYS 61 H CYS 61 -7.643 3.897 -1.259 486 HA CYS 61 HA CYS 61 -9.779 2.970 -3.066 487 HB2 CYS 61 1HB CYS 61 -11.311 4.561 -2.085 488 HB3 CYS 61 2HB CYS 61 -10.637 3.531 -0.825 489 H ASN 62 H ASN 62 -7.064 4.608 -3.202 490 HA ASN 62 HA ASN 62 -6.194 6.380 -4.363 491 HB2 ASN 62 1HB ASN 62 -6.761 6.244 -6.795 492 HB3 ASN 62 2HB ASN 62 -6.248 4.730 -6.066 493 HD21 ASN 62 1HD2 ASN 62 -8.743 6.398 -7.722 494 HD22 ASN 62 2HD2 ASN 62 -9.863 5.085 -7.817 495 H LEU 63 H LEU 63 -8.208 7.508 -2.833 496 HA LEU 63 HA LEU 63 -9.179 9.595 -4.648 497 HB2 LEU 63 1HB LEU 63 -10.725 7.446 -3.747 498 HB3 LEU 63 2HB LEU 63 -11.236 8.811 -2.776 499 HG LEU 63 HG LEU 63 -12.709 8.751 -4.600 500 HD11 LEU 63 1HD1 LEU 63 -12.016 10.988 -4.173 501 HD12 LEU 63 2HD1 LEU 63 -10.562 10.778 -5.151 502 HD13 LEU 63 3HD1 LEU 63 -12.150 10.780 -5.920 503 HD21 LEU 63 3HD2 LEU 63 -12.202 7.716 -6.486 504 HD22 LEU 63 1HD2 LEU 63 -11.033 8.977 -6.885 505 HD23 LEU 63 2HD2 LEU 63 -10.529 7.569 -5.945 506 H ASN 64 H ASN 64 -9.521 8.560 -1.249 507 HA ASN 64 HA ASN 64 -9.906 11.268 -0.462 508 HB2 ASN 64 1HB ASN 64 -9.805 8.696 1.064 509 HB3 ASN 64 2HB ASN 64 -10.175 10.237 1.821 510 HD21 ASN 64 1HD2 ASN 64 -11.456 10.690 -1.056 511 HD22 ASN 64 2HD2 ASN 64 -13.046 10.057 -0.822 512 H VAL 65 H VAL 65 -7.222 10.313 -1.266 513 HA VAL 65 HA VAL 65 -5.035 10.733 -0.845 514 HB VAL 65 HB VAL 65 -6.594 12.870 0.464 515 HG11 VAL 65 1HG1 VAL 65 -4.760 14.045 1.334 516 HG12 VAL 65 2HG1 VAL 65 -4.462 12.385 1.852 517 HG13 VAL 65 3HG1 VAL 65 -3.594 13.043 0.468 518 HG21 VAL 65 3HG2 VAL 65 -4.487 12.949 -1.677 519 HG22 VAL 65 1HG2 VAL 65 -6.212 12.743 -1.975 520 HG23 VAL 65 2HG2 VAL 65 -5.615 14.234 -1.248 521 H GLY 66 H GLY 66 -3.350 10.099 0.435 522 HA2 GLY 66 2HA GLY 66 -4.145 8.495 2.683 523 HA3 GLY 66 1HA GLY 66 -2.544 8.594 1.983 524 H VAL 67 H VAL 67 -2.982 8.418 4.676 525 HA VAL 67 HA VAL 67 -1.728 10.872 5.593 526 HB VAL 67 HB VAL 67 -4.057 11.336 5.987 527 HG11 VAL 67 1HG1 VAL 67 -4.705 8.887 6.033 528 HG12 VAL 67 2HG1 VAL 67 -4.303 8.947 7.751 529 HG13 VAL 67 3HG1 VAL 67 -5.577 9.984 7.109 530 HG21 VAL 67 3HG2 VAL 67 -2.336 11.960 7.704 531 HG22 VAL 67 1HG2 VAL 67 -3.996 11.876 8.295 532 HG23 VAL 67 2HG2 VAL 67 -2.873 10.558 8.630 533 H ASN 68 H ASN 68 -2.949 7.663 6.420 534 HA ASN 68 HA ASN 68 -0.646 7.326 8.234 535 HB2 ASN 68 1HB ASN 68 -3.269 5.831 8.087 536 HB3 ASN 68 2HB ASN 68 -1.915 5.311 9.080 537 HD21 ASN 68 1HD2 ASN 68 -4.764 6.718 9.285 538 HD22 ASN 68 2HD2 ASN 68 -4.515 7.801 10.613 539 H ASP 69 H ASP 69 0.918 5.935 7.725 540 HA ASP 69 HA ASP 69 1.188 4.880 5.125 541 HB2 ASP 69 1HB ASP 69 2.597 4.057 7.689 542 HB3 ASP 69 2HB ASP 69 3.109 3.607 6.070 543 H ALA 70 H ALA 70 0.632 3.036 4.208 544 HA ALA 70 HA ALA 70 -1.076 1.157 5.563 545 HB1 ALA 70 3HB ALA 70 -0.150 0.058 3.133 546 HB2 ALA 70 1HB ALA 70 -1.724 0.775 3.476 547 HB3 ALA 70 2HB ALA 70 -0.413 1.780 2.861 548 H PHE 71 H PHE 71 -0.610 -1.039 5.959 549 HA PHE 71 HA PHE 71 2.240 -1.742 5.895 550 HB2 PHE 71 1HB PHE 71 0.306 -2.031 8.185 551 HB3 PHE 71 2HB PHE 71 1.698 -3.094 8.042 552 HD1 PHE 71 HD1 PHE 71 1.050 0.582 7.776 553 HD2 PHE 71 HD2 PHE 71 3.460 -2.539 9.367 554 HE1 PHE 71 HE1 PHE 71 2.449 2.250 8.915 555 HE2 PHE 71 HE2 PHE 71 4.860 -0.877 10.517 556 HZ PHE 71 HZ PHE 71 4.359 1.524 10.287 557 H TYR 72 H TYR 72 2.674 -3.685 5.053 558 HA TYR 72 HA TYR 72 0.585 -5.378 4.018 559 HB2 TYR 72 1HB TYR 72 3.547 -5.913 4.395 560 HB3 TYR 72 2HB TYR 72 2.429 -7.000 3.585 561 HD1 TYR 72 HD2 TYR 72 1.436 -6.332 1.398 562 HD2 TYR 72 HD1 TYR 72 4.504 -4.059 3.273 563 HE1 TYR 72 HE2 TYR 72 1.937 -5.248 -0.750 564 HE2 TYR 72 HE1 TYR 72 5.013 -2.974 1.129 565 HH TYR 72 HH TYR 72 3.652 -4.069 -1.858 566 H CYS 73 H CYS 73 -0.457 -6.941 5.137 567 HA CYS 73 HA CYS 73 0.129 -7.294 7.900 568 HB2 CYS 73 1HB CYS 73 -1.805 -8.598 8.045 569 HB3 CYS 73 2HB CYS 73 -2.178 -7.434 6.780 570 H TRP 74 H TRP 74 0.527 -9.349 8.929 571 HA TRP 74 HA TRP 74 2.875 -10.548 8.152 572 HB2 TRP 74 1HB TRP 74 1.728 -10.643 10.388 573 HB3 TRP 74 2HB TRP 74 0.717 -11.916 9.737 574 HD1 TRP 74 HD1 TRP 74 1.764 -13.395 11.755 575 HE1 TRP 74 HE1 TRP 74 3.895 -14.833 11.847 576 HE3 TRP 74 HE3 TRP 74 4.255 -11.407 7.758 577 HZ2 TRP 74 HZ2 TRP 74 6.301 -15.092 10.414 578 HZ3 TRP 74 HZ3 TRP 74 6.474 -12.307 7.191 579 HH2 TRP 74 HH2 TRP 74 7.473 -14.116 8.490 580 H GLU 75 H GLU 75 -0.404 -11.726 7.631 581 HA GLU 75 HA GLU 75 0.269 -14.153 6.469 582 HB2 GLU 75 1HB GLU 75 -2.182 -12.470 5.926 583 HB3 GLU 75 2HB GLU 75 -2.014 -14.179 5.553 584 HG2 GLU 75 1HG GLU 75 -1.851 -13.018 8.324 585 HG3 GLU 75 2HG GLU 75 -3.299 -13.727 7.617 586 H CYS 76 H CYS 76 -0.298 -11.020 4.864 587 HA CYS 76 HA CYS 76 0.139 -11.978 2.246 588 HB2 CYS 76 1HB CYS 76 0.287 -9.237 3.481 589 HB3 CYS 76 2HB CYS 76 0.669 -9.511 1.786 590 H CYS 77 H CYS 77 2.293 -10.565 4.682 591 HA CYS 77 HA CYS 77 4.622 -10.521 3.066 592 HB2 CYS 77 1HB CYS 77 4.450 -10.797 6.076 593 HB3 CYS 77 2HB CYS 77 5.851 -10.262 5.155 594 HG CYS 77 HG CYS 77 2.952 -8.582 5.756 595 H ARG 78 H ARG 78 3.127 -12.948 5.066 596 HA ARG 78 HA ARG 78 5.164 -14.813 5.317 597 HB2 ARG 78 1HB ARG 78 2.479 -14.607 5.975 598 HB3 ARG 78 2HB ARG 78 2.525 -15.985 4.888 599 HG2 ARG 78 1HG ARG 78 3.984 -17.177 6.299 600 HG3 ARG 78 2HG ARG 78 4.338 -15.741 7.267 601 HD2 ARG 78 1HD ARG 78 2.035 -15.673 8.040 602 HD3 ARG 78 2HD ARG 78 1.640 -17.066 7.036 603 HE ARG 78 HE ARG 78 3.700 -17.884 8.670 604 HH11 ARG 78 2HH1 ARG 78 0.472 -16.584 9.110 605 HH12 ARG 78 1HH1 ARG 78 0.162 -17.510 10.556 606 HH21 ARG 78 2HH2 ARG 78 3.311 -19.077 10.582 607 HH22 ARG 78 1HH2 ARG 78 1.788 -18.909 11.410 608 H LEU 79 H LEU 79 2.638 -14.594 2.823 609 HA LEU 79 HA LEU 79 3.750 -16.756 1.299 610 HB2 LEU 79 1HB LEU 79 1.544 -14.777 0.781 611 HB3 LEU 79 2HB LEU 79 2.085 -15.889 -0.459 612 HG LEU 79 HG LEU 79 0.135 -16.819 0.551 613 HD11 LEU 79 1HD1 LEU 79 2.226 -18.271 0.127 614 HD12 LEU 79 2HD1 LEU 79 2.308 -18.369 1.887 615 HD13 LEU 79 3HD1 LEU 79 0.875 -18.948 1.037 616 HD21 LEU 79 3HD2 LEU 79 0.267 -15.522 2.668 617 HD22 LEU 79 1HD2 LEU 79 -0.146 -17.222 2.891 618 HD23 LEU 79 2HD2 LEU 79 1.490 -16.660 3.235 619 H GLY 80 H GLY 80 3.622 -13.227 0.940 620 HA2 GLY 80 2HA GLY 80 5.917 -12.381 0.266 621 HA3 GLY 80 1HA GLY 80 5.734 -13.451 -1.115 622 H LYS 81 H LYS 81 3.167 -11.521 0.290 623 HA LYS 81 HA LYS 81 2.541 -10.336 -2.242 624 HB2 LYS 81 1HB LYS 81 1.439 -9.696 0.499 625 HB3 LYS 81 2HB LYS 81 0.697 -9.312 -1.049 626 HG2 LYS 81 1HG LYS 81 1.290 -12.158 -0.417 627 HG3 LYS 81 2HG LYS 81 -0.088 -11.379 0.360 628 HD2 LYS 81 1HD LYS 81 -1.151 -10.972 -1.670 629 HD3 LYS 81 2HD LYS 81 0.321 -11.240 -2.605 630 HE2 LYS 81 1HE LYS 81 -1.161 -13.122 -2.888 631 HE3 LYS 81 2HE LYS 81 0.250 -13.625 -1.960 632 HZ1 LYS 81 3HZ LYS 81 -1.046 -13.495 0.059 633 HZ2 LYS 81 1HZ LYS 81 -1.828 -14.504 -1.057 634 HZ3 LYS 81 2HZ LYS 81 -2.396 -12.926 -0.795 635 H ASP 82 H ASP 82 4.429 -9.507 0.500 636 HA ASP 82 HA ASP 82 4.416 -6.682 0.241 637 HB2 ASP 82 1HB ASP 82 6.380 -6.745 1.718 638 HB3 ASP 82 2HB ASP 82 5.099 -7.789 2.320 639 H LYS 83 H LYS 83 6.513 -9.232 -1.010 640 HA LYS 83 HA LYS 83 8.178 -7.320 -2.418 641 HB2 LYS 83 1HB LYS 83 9.368 -9.345 -3.244 642 HB3 LYS 83 2HB LYS 83 9.293 -9.247 -1.492 643 HG2 LYS 83 1HG LYS 83 7.458 -10.859 -1.480 644 HG3 LYS 83 2HG LYS 83 7.537 -10.957 -3.240 645 HD2 LYS 83 1HD LYS 83 9.804 -11.822 -3.110 646 HD3 LYS 83 2HD LYS 83 9.783 -11.663 -1.353 647 HE2 LYS 83 1HE LYS 83 9.369 -13.957 -1.929 648 HE3 LYS 83 2HE LYS 83 7.890 -13.255 -1.276 649 HZ1 LYS 83 3HZ LYS 83 8.390 -14.363 -3.868 650 HZ2 LYS 83 1HZ LYS 83 7.685 -12.822 -3.959 651 HZ3 LYS 83 2HZ LYS 83 6.913 -14.057 -3.094 652 H ASP 84 H ASP 84 5.312 -9.012 -2.940 653 HA ASP 84 HA ASP 84 5.399 -9.716 -5.607 654 HB2 ASP 84 1HB ASP 84 3.589 -10.267 -3.953 655 HB3 ASP 84 2HB ASP 84 2.958 -8.641 -4.185 656 H GLY 85 H GLY 85 4.245 -6.603 -4.242 657 HA2 GLY 85 2HA GLY 85 5.636 -5.027 -5.924 658 HA3 GLY 85 1HA GLY 85 4.214 -5.405 -6.875 659 H CYS 86 H CYS 86 3.963 -3.179 -6.925 660 HA CYS 86 HA CYS 86 3.434 -1.525 -4.697 661 HB2 CYS 86 1HB CYS 86 4.327 -0.816 -6.889 662 HB3 CYS 86 2HB CYS 86 2.803 -1.237 -7.642 663 HA PRO 87 HA PRO 87 -0.836 -2.922 -4.265 664 HB2 PRO 87 1HB PRO 87 -1.227 -2.016 -1.786 665 HB3 PRO 87 2HB PRO 87 -0.221 -3.432 -2.108 666 HG2 PRO 87 1HG PRO 87 0.596 -0.623 -1.518 667 HG3 PRO 87 2HG PRO 87 1.315 -2.142 -0.957 668 HD2 PRO 87 1HD PRO 87 2.282 -0.612 -3.044 669 HD3 PRO 87 2HD PRO 87 2.617 -2.338 -2.817 670 H ARG 88 H ARG 88 -0.389 -0.614 -5.811 671 HA ARG 88 HA ARG 88 -2.178 1.432 -4.746 672 HB2 ARG 88 1HB ARG 88 -0.386 1.210 -7.134 673 HB3 ARG 88 2HB ARG 88 -1.730 2.342 -7.184 674 HG2 ARG 88 1HG ARG 88 0.091 2.419 -4.840 675 HG3 ARG 88 2HG ARG 88 0.663 3.068 -6.378 676 HD2 ARG 88 1HD ARG 88 -1.846 3.893 -4.918 677 HD3 ARG 88 2HD ARG 88 -0.348 4.818 -5.009 678 HE ARG 88 HE ARG 88 -0.762 5.189 -7.331 679 HH11 ARG 88 2HH1 ARG 88 -3.459 3.866 -5.535 680 HH12 ARG 88 1HH1 ARG 88 -4.608 4.124 -6.809 681 HH21 ARG 88 2HH2 ARG 88 -2.282 5.551 -9.018 682 HH22 ARG 88 1HH2 ARG 88 -3.951 5.116 -8.767 683 H ILE 89 H ILE 89 -4.289 1.542 -5.263 684 HA ILE 89 HA ILE 89 -5.391 -0.463 -7.072 685 HB ILE 89 HB ILE 89 -6.660 1.445 -5.108 686 HG12 ILE 89 1HG1 ILE 89 -5.569 -0.554 -4.174 687 HG13 ILE 89 2HG1 ILE 89 -7.313 -0.592 -3.938 688 HG21 ILE 89 1HG2 ILE 89 -8.462 1.417 -6.434 689 HG22 ILE 89 2HG2 ILE 89 -7.885 0.033 -7.362 690 HG23 ILE 89 3HG2 ILE 89 -8.688 -0.218 -5.813 691 HD11 ILE 89 3HD1 ILE 89 -5.801 -2.087 -6.064 692 HD12 ILE 89 1HD1 ILE 89 -6.432 -2.769 -4.565 693 HD13 ILE 89 2HD1 ILE 89 -7.541 -2.147 -5.788 694 H LEU 90 H LEU 90 -5.546 0.067 -9.185 695 HA LEU 90 HA LEU 90 -6.545 2.758 -9.832 696 HB2 LEU 90 1HB LEU 90 -4.899 2.735 -11.782 697 HB3 LEU 90 2HB LEU 90 -4.287 3.096 -10.184 698 HG LEU 90 HG LEU 90 -4.123 0.261 -11.045 699 HD11 LEU 90 1HD1 LEU 90 -3.497 1.384 -13.106 700 HD12 LEU 90 2HD1 LEU 90 -2.388 2.432 -12.220 701 HD13 LEU 90 3HD1 LEU 90 -2.070 0.700 -12.327 702 HD21 LEU 90 3HD2 LEU 90 -1.877 1.864 -9.967 703 HD22 LEU 90 1HD2 LEU 90 -3.257 1.567 -8.910 704 HD23 LEU 90 2HD2 LEU 90 -2.371 0.210 -9.603 705 H ASN 91 H ASN 91 -8.372 0.729 -9.994 706 HA ASN 91 HA ASN 91 -8.504 0.151 -12.874 707 HB2 ASN 91 1HB ASN 91 -10.602 -1.145 -12.384 708 HB3 ASN 91 2HB ASN 91 -9.141 -1.798 -11.686 709 HD21 ASN 91 1HD2 ASN 91 -9.837 -2.872 -9.978 710 HD22 ASN 91 2HD2 ASN 91 -10.725 -2.162 -8.673 711 H LEU 92 H LEU 92 -11.627 0.304 -11.845 712 HA LEU 92 HA LEU 92 -12.078 3.126 -12.208 713 HB2 LEU 92 1HB LEU 92 -13.255 2.954 -14.288 714 HB3 LEU 92 2HB LEU 92 -11.664 2.253 -14.509 715 HG LEU 92 HG LEU 92 -14.050 0.519 -13.920 716 HD11 LEU 92 1HD1 LEU 92 -14.695 1.775 -15.854 717 HD12 LEU 92 2HD1 LEU 92 -13.117 1.529 -16.602 718 HD13 LEU 92 3HD1 LEU 92 -14.209 0.161 -16.373 719 HD21 LEU 92 3HD2 LEU 92 -11.696 -0.366 -13.747 720 HD22 LEU 92 1HD2 LEU 92 -12.751 -1.222 -14.869 721 HD23 LEU 92 2HD2 LEU 92 -11.549 -0.089 -15.484 722 H GLY 93 H GLY 93 -12.710 0.569 -10.550 723 HA2 GLY 93 2HA GLY 93 -14.471 0.016 -9.157 724 HA3 GLY 93 1HA GLY 93 -15.424 1.285 -9.913 725 H SER 94 H SER 94 -15.744 -1.703 -9.253 726 HA SER 94 HA SER 94 -16.794 -3.527 -10.069 727 HB2 SER 94 1HB SER 94 -18.652 -3.132 -11.701 728 HB3 SER 94 2HB SER 94 -18.702 -2.097 -10.277 729 HG SER 94 HG SER 94 -17.281 -0.841 -12.121 730 H ASN 95 H ASN 95 -14.595 -4.146 -10.812 731 HA ASN 95 HA ASN 95 -13.957 -4.082 -13.581 732 HB2 ASN 95 1HB ASN 95 -13.162 -6.130 -11.501 733 HB3 ASN 95 2HB ASN 95 -12.476 -6.002 -13.112 734 HD21 ASN 95 1HD2 ASN 95 -11.814 -5.477 -10.070 735 HD22 ASN 95 2HD2 ASN 95 -10.801 -4.081 -10.178 736 H ARG 96 H ARG 96 -14.640 -5.291 -15.211 737 HA ARG 96 HA ARG 96 -15.972 -7.811 -14.748 738 HB2 ARG 96 1HB ARG 96 -17.895 -6.873 -16.331 739 HB3 ARG 96 2HB ARG 96 -17.984 -6.752 -14.583 740 HG2 ARG 96 1HG ARG 96 -18.660 -4.669 -15.562 741 HG3 ARG 96 2HG ARG 96 -17.122 -4.439 -14.728 742 HD2 ARG 96 1HD ARG 96 -15.941 -4.576 -16.854 743 HD3 ARG 96 2HD ARG 96 -17.460 -4.865 -17.697 744 HE ARG 96 HE ARG 96 -16.400 -2.349 -16.867 745 HH11 ARG 96 2HH1 ARG 96 -19.387 -4.085 -17.451 746 HH12 ARG 96 1HH1 ARG 96 -20.316 -2.648 -17.754 747 HH21 ARG 96 2HH2 ARG 96 -17.607 -0.456 -17.290 748 HH22 ARG 96 1HH2 ARG 96 -19.304 -0.580 -17.658 749 H LEU 97 H LEU 97 -17.203 -7.160 -17.568 750 HA LEU 97 HA LEU 97 -16.698 -7.574 -19.732 751 HB2 LEU 97 1HB LEU 97 -13.912 -6.737 -18.927 752 HB3 LEU 97 2HB LEU 97 -14.426 -7.032 -20.577 753 HG LEU 97 HG LEU 97 -15.540 -4.891 -18.765 754 HD11 LEU 97 1HD1 LEU 97 -13.117 -4.751 -19.742 755 HD12 LEU 97 2HD1 LEU 97 -13.966 -4.357 -21.237 756 HD13 LEU 97 3HD1 LEU 97 -14.193 -3.353 -19.806 757 HD21 LEU 97 3HD2 LEU 97 -16.554 -6.080 -21.151 758 HD22 LEU 97 1HD2 LEU 97 -17.233 -4.768 -20.189 759 HD23 LEU 97 2HD2 LEU 97 -16.092 -4.411 -21.486 760 H ASP 98 H ASP 98 -16.540 -9.582 -17.651 761 HA ASP 98 HA ASP 98 -14.699 -11.508 -18.879 762 HB2 ASP 98 1HB ASP 98 -15.036 -12.930 -16.986 763 HB3 ASP 98 2HB ASP 98 -14.740 -11.314 -16.363 764 H ARG 99 H ARG 99 -17.957 -10.537 -18.539 765 HA ARG 99 HA ARG 99 -18.728 -12.525 -20.531 766 HB2 ARG 99 1HB ARG 99 -20.217 -11.925 -17.976 767 HB3 ARG 99 2HB ARG 99 -21.037 -12.566 -19.393 768 HG2 ARG 99 1HG ARG 99 -18.783 -13.884 -17.895 769 HG3 ARG 99 2HG ARG 99 -20.486 -14.345 -17.849 770 HD2 ARG 99 1HD ARG 99 -18.586 -14.515 -20.181 771 HD3 ARG 99 2HD ARG 99 -19.394 -15.842 -19.346 772 HE ARG 99 HE ARG 99 -20.457 -14.215 -21.448 773 HH11 ARG 99 2HH1 ARG 99 -21.276 -16.308 -18.756 774 HH12 ARG 99 1HH1 ARG 99 -22.965 -16.388 -19.172 775 HH21 ARG 99 2HH2 ARG 99 -22.662 -14.341 -22.012 776 HH22 ARG 99 1HH2 ARG 99 -23.752 -15.270 -21.028 777 H HIS 100 H HIS 100 -19.383 -11.461 -22.253 778 HA HIS 100 HA HIS 100 -21.182 -9.237 -22.174 779 HB2 HIS 100 1HB HIS 100 -19.020 -8.172 -21.477 780 HB3 HIS 100 2HB HIS 100 -18.323 -8.675 -23.011 781 HD1 HIS 100 HD1 HIS 100 -17.872 -6.171 -23.568 782 HD2 HIS 100 HD2 HIS 100 -21.892 -7.169 -23.164 783 HE1 HIS 100 HE1 HIS 100 -19.158 -4.172 -24.399 784 HE2 HIS 100 HE2 HIS 100 -21.582 -4.740 -24.008 785 H PHE 101 H PHE 101 -18.604 -10.825 -24.007 786 HA PHE 101 HA PHE 101 -18.445 -11.610 -26.116 787 HB2 PHE 101 1HB PHE 101 -20.483 -12.892 -25.467 788 HB3 PHE 101 2HB PHE 101 -21.474 -11.597 -26.125 789 HD1 PHE 101 HD1 PHE 101 -18.479 -12.166 -28.004 790 HD2 PHE 101 HD2 PHE 101 -22.473 -13.525 -27.440 791 HE1 PHE 101 HE1 PHE 101 -18.408 -13.278 -30.197 792 HE2 PHE 101 HE2 PHE 101 -22.408 -14.631 -29.637 793 HZ PHE 101 HZ PHE 101 -20.377 -14.504 -31.020 794 H GLU 102 H GLU 102 -17.615 -9.352 -26.407 795 HA GLU 102 HA GLU 102 -19.373 -7.715 -28.072 796 HB2 GLU 102 1HB GLU 102 -17.476 -6.066 -28.041 797 HB3 GLU 102 2HB GLU 102 -18.180 -6.411 -26.469 798 HG2 GLU 102 1HG GLU 102 -15.839 -8.021 -27.291 799 HG3 GLU 102 2HG GLU 102 -15.563 -6.328 -26.882 800 H LYS 103 H LYS 103 -18.108 -10.339 -28.815 801 HA LYS 103 HA LYS 103 -17.248 -11.346 -30.653 802 HB2 LYS 103 1HB LYS 103 -18.142 -8.735 -31.875 803 HB3 LYS 103 2HB LYS 103 -17.454 -10.036 -32.834 804 HG2 LYS 103 1HG LYS 103 -19.780 -10.251 -33.037 805 HG3 LYS 103 2HG LYS 103 -19.282 -11.515 -31.915 806 HD2 LYS 103 1HD LYS 103 -21.296 -10.470 -31.098 807 HD3 LYS 103 2HD LYS 103 -19.954 -10.055 -30.032 808 HE2 LYS 103 1HE LYS 103 -19.748 -7.880 -31.126 809 HE3 LYS 103 2HE LYS 103 -21.066 -8.299 -32.219 810 HZ1 LYS 103 3HZ LYS 103 -22.018 -8.705 -29.648 811 HZ2 LYS 103 1HZ LYS 103 -22.457 -7.476 -30.731 812 HZ3 LYS 103 2HZ LYS 103 -21.207 -7.213 -29.617 813 H LYS 104 H LYS 104 -15.367 -10.334 -28.973 814 HA LYS 104 HA LYS 104 -13.385 -8.870 -30.514 815 HB2 LYS 104 1HB LYS 104 -13.639 -8.515 -28.071 816 HB3 LYS 104 2HB LYS 104 -13.166 -10.185 -27.796 817 HG2 LYS 104 1HG LYS 104 -10.983 -9.680 -28.871 818 HG3 LYS 104 2HG LYS 104 -11.469 -7.986 -28.956 819 HD2 LYS 104 1HD LYS 104 -11.773 -8.026 -26.477 820 HD3 LYS 104 2HD LYS 104 -11.093 -9.654 -26.470 821 HE2 LYS 104 1HE LYS 104 -9.704 -7.153 -27.438 822 HE3 LYS 104 2HE LYS 104 -9.406 -7.974 -25.906 823 HZ1 LYS 104 3HZ LYS 104 -7.724 -8.694 -27.339 824 HZ2 LYS 104 1HZ LYS 104 -8.783 -8.914 -28.642 825 HZ3 LYS 104 2HZ LYS 104 -8.827 -9.983 -27.324 826 H LYS 105 H LYS 105 -13.703 -12.062 -29.037 827 HA LYS 105 HA LYS 105 -12.179 -13.283 -31.189 828 HB2 LYS 105 1HB LYS 105 -11.303 -13.294 -28.304 829 HB3 LYS 105 2HB LYS 105 -10.850 -14.587 -29.402 830 HG2 LYS 105 1HG LYS 105 -10.213 -11.677 -29.832 831 HG3 LYS 105 2HG LYS 105 -9.109 -12.861 -29.130 832 HD2 LYS 105 1HD LYS 105 -10.313 -13.001 -31.893 833 HD3 LYS 105 2HD LYS 105 -8.664 -12.500 -31.514 834 HE2 LYS 105 1HE LYS 105 -8.198 -14.710 -30.583 835 HE3 LYS 105 2HE LYS 105 -9.854 -15.210 -30.928 836 HZ1 LYS 105 3HZ LYS 105 -7.915 -14.333 -32.997 837 HZ2 LYS 105 1HZ LYS 105 -9.453 -14.999 -33.255 838 HZ3 LYS 105 2HZ LYS 105 -8.216 -15.955 -32.599 839 H LYS 106 H LYS 106 -14.699 -13.643 -31.134 840 HA LYS 106 HA LYS 106 -16.450 -15.080 -30.905 841 HB2 LYS 106 1HB LYS 106 -14.362 -17.050 -29.924 842 HB3 LYS 106 2HB LYS 106 -16.009 -17.450 -30.395 843 HG2 LYS 106 1HG LYS 106 -15.563 -16.835 -32.677 844 HG3 LYS 106 2HG LYS 106 -13.953 -16.258 -32.243 845 HD2 LYS 106 1HD LYS 106 -13.770 -18.439 -33.248 846 HD3 LYS 106 2HD LYS 106 -13.367 -18.556 -31.534 847 HE2 LYS 106 1HE LYS 106 -14.758 -20.418 -32.126 848 HE3 LYS 106 2HE LYS 106 -15.681 -19.327 -31.094 849 HZ1 LYS 106 3HZ LYS 106 -16.872 -20.224 -33.088 850 HZ2 LYS 106 1HZ LYS 106 -15.857 -19.268 -34.054 851 HZ3 LYS 106 2HZ LYS 106 -16.900 -18.538 -32.931 852 H VAL 107 H VAL 107 -15.691 -13.268 -28.904 853 HA VAL 107 HA VAL 107 -17.288 -14.021 -26.715 854 HB VAL 107 HB VAL 107 -15.194 -15.419 -26.303 855 HG11 VAL 107 1HG1 VAL 107 -13.992 -12.695 -25.866 856 HG12 VAL 107 2HG1 VAL 107 -13.265 -14.206 -25.316 857 HG13 VAL 107 3HG1 VAL 107 -13.493 -13.911 -27.041 858 HG21 VAL 107 3HG2 VAL 107 -15.882 -13.375 -24.196 859 HG22 VAL 107 1HG2 VAL 107 -16.795 -14.846 -24.531 860 HG23 VAL 107 2HG2 VAL 107 -15.144 -14.954 -23.922 Start of MODEL 19 1 H1 GLY -1 1H GLY -1 -7.895 -4.831 -18.239 2 H2 GLY -1 2H GLY -1 -8.795 -3.823 -19.265 3 H3 GLY -1 3H GLY -1 -9.294 -5.423 -19.000 4 HA2 GLY -1 1HA GLY -1 -9.590 -4.864 -16.609 5 HA3 GLY -1 2HA GLY -1 -9.305 -3.187 -17.053 6 H GLY 0 H GLY 0 -11.710 -4.418 -15.909 7 HA2 GLY 0 2HA GLY 0 -13.969 -3.961 -16.146 8 HA3 GLY 0 1HA GLY 0 -13.630 -3.247 -17.720 9 H SER 1 H SER 1 -13.019 -6.479 -16.415 10 HA SER 1 HA SER 1 -14.972 -7.666 -18.203 11 HB2 SER 1 1HB SER 1 -12.877 -7.380 -19.576 12 HB3 SER 1 2HB SER 1 -12.051 -8.436 -18.435 13 HG SER 1 HG SER 1 -14.077 -9.043 -20.294 14 H SER 2 H SER 2 -15.082 -7.561 -15.534 15 HA SER 2 HA SER 2 -13.848 -9.848 -14.310 16 HB2 SER 2 1HB SER 2 -15.984 -7.977 -13.253 17 HB3 SER 2 2HB SER 2 -15.051 -9.130 -12.297 18 HG SER 2 HG SER 2 -14.277 -6.874 -12.319 19 H ARG 3 H ARG 3 -15.128 -10.949 -16.351 20 HA ARG 3 HA ARG 3 -17.835 -11.663 -15.947 21 HB2 ARG 3 1HB ARG 3 -15.744 -13.360 -17.322 22 HB3 ARG 3 2HB ARG 3 -17.481 -13.398 -17.579 23 HG2 ARG 3 1HG ARG 3 -15.626 -11.139 -18.304 24 HG3 ARG 3 2HG ARG 3 -16.355 -12.294 -19.418 25 HD2 ARG 3 1HD ARG 3 -18.592 -11.461 -18.741 26 HD3 ARG 3 2HD ARG 3 -17.799 -10.242 -17.742 27 HE ARG 3 HE ARG 3 -16.825 -10.126 -20.402 28 HH11 ARG 3 2HH1 ARG 3 -19.630 -9.258 -18.469 29 HH12 ARG 3 1HH1 ARG 3 -20.133 -8.003 -19.558 30 HH21 ARG 3 2HH2 ARG 3 -17.512 -8.475 -21.828 31 HH22 ARG 3 1HH2 ARG 3 -18.936 -7.547 -21.446 32 H HIS 4 H HIS 4 -14.790 -13.237 -15.088 33 HA HIS 4 HA HIS 4 -16.158 -15.087 -13.274 34 HB2 HIS 4 1HB HIS 4 -13.239 -14.667 -13.949 35 HB3 HIS 4 2HB HIS 4 -13.770 -15.718 -12.642 36 HD1 HIS 4 HD1 HIS 4 -12.246 -17.259 -14.472 37 HD2 HIS 4 HD2 HIS 4 -16.216 -16.379 -15.345 38 HE1 HIS 4 HE1 HIS 4 -12.961 -18.966 -16.181 39 HE2 HIS 4 HE2 HIS 4 -15.284 -18.249 -16.864 40 H GLN 5 H GLN 5 -13.398 -12.891 -12.979 41 HA GLN 5 HA GLN 5 -14.487 -11.053 -11.231 42 HB2 GLN 5 1HB GLN 5 -14.730 -12.773 -9.557 43 HB3 GLN 5 2HB GLN 5 -13.079 -13.321 -9.810 44 HG2 GLN 5 1HG GLN 5 -13.235 -12.068 -7.758 45 HG3 GLN 5 2HG GLN 5 -12.244 -11.195 -8.925 46 HE21 GLN 5 1HE2 GLN 5 -14.402 -10.745 -6.597 47 HE22 GLN 5 2HE2 GLN 5 -15.187 -9.306 -7.155 48 H PHE 6 H PHE 6 -13.221 -9.373 -11.563 49 HA PHE 6 HA PHE 6 -10.364 -9.656 -11.239 50 HB2 PHE 6 1HB PHE 6 -10.796 -9.968 -13.690 51 HB3 PHE 6 2HB PHE 6 -11.426 -8.325 -13.737 52 HD1 PHE 6 HD1 PHE 6 -8.492 -9.690 -11.908 53 HD2 PHE 6 HD2 PHE 6 -9.883 -7.128 -15.010 54 HE1 PHE 6 HE1 PHE 6 -6.206 -8.843 -12.230 55 HE2 PHE 6 HE2 PHE 6 -7.599 -6.277 -15.338 56 HZ PHE 6 HZ PHE 6 -5.757 -7.137 -13.949 57 H ASP 7 H ASP 7 -12.668 -8.502 -9.888 58 HA ASP 7 HA ASP 7 -11.963 -5.657 -9.881 59 HB2 ASP 7 1HB ASP 7 -14.163 -7.200 -8.487 60 HB3 ASP 7 2HB ASP 7 -13.812 -5.506 -8.155 61 H LEU 8 H LEU 8 -9.944 -7.288 -9.250 62 HA LEU 8 HA LEU 8 -9.414 -6.778 -6.485 63 HB2 LEU 8 1HB LEU 8 -9.201 -9.012 -5.909 64 HB3 LEU 8 2HB LEU 8 -10.685 -8.934 -6.816 65 HG LEU 8 HG LEU 8 -8.078 -10.176 -7.589 66 HD11 LEU 8 1HD1 LEU 8 -10.557 -11.494 -8.287 67 HD12 LEU 8 2HD1 LEU 8 -9.186 -12.092 -7.345 68 HD13 LEU 8 3HD1 LEU 8 -10.445 -11.135 -6.562 69 HD21 LEU 8 3HD2 LEU 8 -10.303 -9.505 -9.482 70 HD22 LEU 8 1HD2 LEU 8 -8.685 -8.803 -9.479 71 HD23 LEU 8 2HD2 LEU 8 -8.903 -10.516 -9.847 72 H ILE 9 H ILE 9 -8.317 -5.607 -8.691 73 HA ILE 9 HA ILE 9 -5.890 -6.901 -9.428 74 HB ILE 9 HB ILE 9 -6.390 -5.672 -11.242 75 HG12 ILE 9 1HG1 ILE 9 -4.350 -4.577 -10.125 76 HG13 ILE 9 2HG1 ILE 9 -5.088 -3.803 -11.522 77 HG21 ILE 9 1HG2 ILE 9 -7.819 -3.788 -9.486 78 HG22 ILE 9 2HG2 ILE 9 -7.628 -3.558 -11.217 79 HG23 ILE 9 3HG2 ILE 9 -8.498 -4.965 -10.614 80 HD11 ILE 9 3HD1 ILE 9 -4.716 -2.802 -8.896 81 HD12 ILE 9 1HD1 ILE 9 -5.391 -1.994 -10.318 82 HD13 ILE 9 2HD1 ILE 9 -6.443 -2.925 -9.246 83 H MET 10 H MET 10 -3.851 -6.223 -8.833 84 HA MET 10 HA MET 10 -3.613 -4.090 -6.887 85 HB2 MET 10 1HB MET 10 -3.422 -5.494 -5.146 86 HB3 MET 10 2HB MET 10 -3.522 -6.889 -6.195 87 HG2 MET 10 1HG MET 10 -1.541 -7.104 -4.982 88 HG3 MET 10 2HG MET 10 -1.058 -6.575 -6.598 89 HE1 MET 10 3HE MET 10 -1.721 -3.176 -3.622 90 HE2 MET 10 1HE MET 10 -2.808 -3.715 -4.906 91 HE3 MET 10 2HE MET 10 -2.565 -4.718 -3.468 92 H CYS 11 H CYS 11 -1.846 -2.915 -7.304 93 HA CYS 11 HA CYS 11 -0.747 -2.958 -9.757 94 HB2 CYS 11 1HB CYS 11 -0.701 -1.090 -8.060 95 HB3 CYS 11 2HB CYS 11 0.740 -1.836 -7.380 96 H LEU 12 H LEU 12 0.981 -4.094 -6.849 97 HA LEU 12 HA LEU 12 2.948 -5.187 -6.567 98 HB2 LEU 12 1HB LEU 12 1.575 -6.876 -8.632 99 HB3 LEU 12 2HB LEU 12 3.010 -7.387 -7.763 100 HG LEU 12 HG LEU 12 0.287 -6.819 -6.620 101 HD11 LEU 12 1HD1 LEU 12 1.826 -9.297 -6.150 102 HD12 LEU 12 2HD1 LEU 12 0.085 -9.047 -6.302 103 HD13 LEU 12 3HD1 LEU 12 1.101 -9.058 -7.742 104 HD21 LEU 12 3HD2 LEU 12 1.099 -6.574 -4.563 105 HD22 LEU 12 1HD2 LEU 12 2.291 -7.859 -4.785 106 HD23 LEU 12 2HD2 LEU 12 2.645 -6.223 -5.344 107 H LYS 13 H LYS 13 3.398 -3.055 -8.366 108 HA LYS 13 HA LYS 13 5.260 -4.061 -10.355 109 HB2 LYS 13 1HB LYS 13 4.191 -1.409 -9.580 110 HB3 LYS 13 2HB LYS 13 5.833 -1.435 -10.205 111 HG2 LYS 13 1HG LYS 13 4.922 -2.708 -12.180 112 HG3 LYS 13 2HG LYS 13 3.312 -2.290 -11.579 113 HD2 LYS 13 1HD LYS 13 3.701 0.016 -11.845 114 HD3 LYS 13 2HD LYS 13 5.440 -0.217 -12.035 115 HE2 LYS 13 1HE LYS 13 4.848 -1.575 -14.096 116 HE3 LYS 13 2HE LYS 13 3.245 -0.862 -13.967 117 HZ1 LYS 13 3HZ LYS 13 5.478 0.231 -15.172 118 HZ2 LYS 13 1HZ LYS 13 5.231 1.141 -13.763 119 HZ3 LYS 13 2HZ LYS 13 3.985 0.990 -14.909 120 H GLN 14 H GLN 14 7.511 -3.008 -10.293 121 HA GLN 14 HA GLN 14 8.811 -3.755 -7.843 122 HB2 GLN 14 1HB GLN 14 9.839 -3.863 -10.153 123 HB3 GLN 14 2HB GLN 14 9.946 -2.110 -10.109 124 HG2 GLN 14 1HG GLN 14 12.064 -2.925 -9.497 125 HG3 GLN 14 2HG GLN 14 11.304 -2.333 -8.023 126 HE21 GLN 14 1HE2 GLN 14 10.421 -5.381 -9.499 127 HE22 GLN 14 2HE2 GLN 14 11.109 -6.388 -8.267 128 HA PRO 15 HA PRO 15 7.735 0.042 -5.788 129 HB2 PRO 15 1HB PRO 15 9.822 -0.809 -3.884 130 HB3 PRO 15 2HB PRO 15 8.122 -0.435 -3.594 131 HG2 PRO 15 1HG PRO 15 9.008 -2.957 -3.545 132 HG3 PRO 15 2HG PRO 15 7.411 -2.551 -4.204 133 HD2 PRO 15 1HD PRO 15 9.950 -3.197 -5.640 134 HD3 PRO 15 2HD PRO 15 8.279 -3.648 -6.041 135 H GLY 16 H GLY 16 8.555 2.085 -5.579 136 HA2 GLY 16 2HA GLY 16 11.172 2.593 -6.753 137 HA3 GLY 16 1HA GLY 16 10.000 3.804 -6.240 138 H VAL 17 H VAL 17 9.572 3.754 -3.800 139 HA VAL 17 HA VAL 17 11.326 2.717 -1.936 140 HB VAL 17 HB VAL 17 13.077 4.077 -3.014 141 HG11 VAL 17 1HG1 VAL 17 11.302 6.395 -2.285 142 HG12 VAL 17 2HG1 VAL 17 13.009 6.562 -2.700 143 HG13 VAL 17 3HG1 VAL 17 11.869 5.927 -3.887 144 HG21 VAL 17 3HG2 VAL 17 14.053 4.241 -1.030 145 HG22 VAL 17 1HG2 VAL 17 13.014 5.592 -0.574 146 HG23 VAL 17 2HG2 VAL 17 12.484 3.935 -0.284 147 H GLN 18 H GLN 18 9.300 5.395 -2.902 148 HA GLN 18 HA GLN 18 8.822 6.486 -0.370 149 HB2 GLN 18 1HB GLN 18 7.085 6.550 -2.843 150 HB3 GLN 18 2HB GLN 18 6.853 7.565 -1.425 151 HG2 GLN 18 1HG GLN 18 9.083 8.538 -1.776 152 HG3 GLN 18 2HG GLN 18 9.268 7.547 -3.218 153 HE21 GLN 18 1HE2 GLN 18 6.116 8.307 -3.138 154 HE22 GLN 18 2HE2 GLN 18 6.134 9.732 -4.106 155 H THR 19 H THR 19 7.489 6.045 1.233 156 HA THR 19 HA THR 19 6.228 3.489 1.363 157 HB THR 19 HB THR 19 5.921 5.744 3.345 158 HG1 THR 19 HG1 THR 19 7.906 5.277 4.126 159 HG21 THR 19 1HG2 THR 19 5.772 3.929 4.971 160 HG22 THR 19 2HG2 THR 19 5.999 2.742 3.685 161 HG23 THR 19 3HG2 THR 19 4.544 3.740 3.718 162 H GLY 20 H GLY 20 4.093 2.968 1.246 163 HA2 GLY 20 2HA GLY 20 2.346 4.805 -0.089 164 HA3 GLY 20 1HA GLY 20 1.952 3.169 0.412 165 H LEU 21 H LEU 21 0.749 6.034 0.676 166 HA LEU 21 HA LEU 21 0.297 6.045 3.566 167 HB2 LEU 21 1HB LEU 21 -0.221 8.088 1.421 168 HB3 LEU 21 2HB LEU 21 -0.827 8.260 3.058 169 HG LEU 21 HG LEU 21 2.090 8.036 2.318 170 HD11 LEU 21 1HD1 LEU 21 0.642 10.476 3.301 171 HD12 LEU 21 2HD1 LEU 21 2.267 10.363 2.625 172 HD13 LEU 21 3HD1 LEU 21 0.860 10.133 1.585 173 HD21 LEU 21 3HD2 LEU 21 0.595 8.149 4.874 174 HD22 LEU 21 1HD2 LEU 21 2.107 7.333 4.480 175 HD23 LEU 21 2HD2 LEU 21 2.092 9.074 4.765 176 H LEU 22 H LEU 22 -1.689 5.879 4.487 177 HA LEU 22 HA LEU 22 -3.908 5.037 2.735 178 HB2 LEU 22 1HB LEU 22 -3.348 4.372 5.624 179 HB3 LEU 22 2HB LEU 22 -4.829 3.952 4.789 180 HG LEU 22 HG LEU 22 -2.067 2.916 4.213 181 HD11 LEU 22 1HD1 LEU 22 -4.555 1.491 5.152 182 HD12 LEU 22 2HD1 LEU 22 -2.939 0.806 4.960 183 HD13 LEU 22 3HD1 LEU 22 -3.243 2.016 6.206 184 HD21 LEU 22 3HD2 LEU 22 -4.475 1.810 2.875 185 HD22 LEU 22 1HD2 LEU 22 -3.823 3.329 2.264 186 HD23 LEU 22 2HD2 LEU 22 -2.806 1.893 2.315 187 H CYS 23 H CYS 23 -5.835 6.019 2.915 188 HA CYS 23 HA CYS 23 -6.079 8.383 4.599 189 HB2 CYS 23 1HB CYS 23 -7.989 8.935 3.369 190 HB3 CYS 23 2HB CYS 23 -6.989 8.141 2.159 191 H GLU 24 H GLU 24 -7.669 8.493 6.274 192 HA GLU 24 HA GLU 24 -7.693 6.299 7.926 193 HB2 GLU 24 1HB GLU 24 -9.619 8.616 7.917 194 HB3 GLU 24 2HB GLU 24 -9.461 7.460 9.234 195 HG2 GLU 24 1HG GLU 24 -7.074 8.107 9.443 196 HG3 GLU 24 2HG GLU 24 -7.352 9.358 8.233 197 H LYS 25 H LYS 25 -9.970 7.010 5.386 198 HA LYS 25 HA LYS 25 -12.052 5.285 6.222 199 HB2 LYS 25 1HB LYS 25 -11.281 6.183 3.441 200 HB3 LYS 25 2HB LYS 25 -12.783 5.368 3.856 201 HG2 LYS 25 1HG LYS 25 -11.905 8.032 4.947 202 HG3 LYS 25 2HG LYS 25 -13.041 7.801 3.619 203 HD2 LYS 25 1HD LYS 25 -14.543 6.580 5.127 204 HD3 LYS 25 2HD LYS 25 -13.404 6.827 6.453 205 HE2 LYS 25 1HE LYS 25 -13.687 9.242 6.255 206 HE3 LYS 25 2HE LYS 25 -14.797 9.012 4.904 207 HZ1 LYS 25 3HZ LYS 25 -16.332 9.133 6.521 208 HZ2 LYS 25 1HZ LYS 25 -15.253 8.692 7.754 209 HZ3 LYS 25 2HZ LYS 25 -15.954 7.499 6.775 210 H CYS 26 H CYS 26 -9.005 4.702 4.607 211 HA CYS 26 HA CYS 26 -9.776 1.888 4.223 212 HB2 CYS 26 1HB CYS 26 -7.358 3.268 3.042 213 HB3 CYS 26 2HB CYS 26 -7.946 1.655 2.666 214 H ASP 27 H ASP 27 -8.060 4.010 6.158 215 HA ASP 27 HA ASP 27 -5.738 2.640 6.802 216 HB2 ASP 27 1HB ASP 27 -6.197 4.978 7.426 217 HB3 ASP 27 2HB ASP 27 -7.399 4.425 8.585 218 H GLY 28 H GLY 28 -5.509 0.705 7.564 219 HA2 GLY 28 2HA GLY 28 -5.847 -0.673 9.660 220 HA3 GLY 28 1HA GLY 28 -7.560 -0.382 9.382 221 H LYS 29 H LYS 29 -7.327 -0.511 6.518 222 HA LYS 29 HA LYS 29 -7.515 -3.365 6.157 223 HB2 LYS 29 1HB LYS 29 -7.625 -1.155 4.094 224 HB3 LYS 29 2HB LYS 29 -8.127 -2.822 3.865 225 HG2 LYS 29 1HG LYS 29 -10.015 -2.557 5.234 226 HG3 LYS 29 2HG LYS 29 -9.417 -1.034 5.897 227 HD2 LYS 29 1HD LYS 29 -9.700 0.067 3.787 228 HD3 LYS 29 2HD LYS 29 -10.110 -1.454 2.995 229 HE2 LYS 29 1HE LYS 29 -12.113 -0.162 3.394 230 HE3 LYS 29 2HE LYS 29 -12.129 -1.618 4.384 231 HZ1 LYS 29 3HZ LYS 29 -12.757 0.684 5.395 232 HZ2 LYS 29 1HZ LYS 29 -11.079 0.867 5.545 233 HZ3 LYS 29 2HZ LYS 29 -11.858 -0.430 6.299 234 H CYS 30 H CYS 30 -6.053 -4.673 5.208 235 HA CYS 30 HA CYS 30 -3.421 -3.647 4.549 236 HB2 CYS 30 1HB CYS 30 -3.459 -5.768 5.648 237 HB3 CYS 30 2HB CYS 30 -4.660 -6.398 4.530 238 HA PRO 31 HA PRO 31 -4.738 -2.533 0.467 239 HB2 PRO 31 1HB PRO 31 -2.157 -2.581 -0.629 240 HB3 PRO 31 2HB PRO 31 -2.951 -1.194 0.117 241 HG2 PRO 31 1HG PRO 31 -0.989 -3.108 1.281 242 HG3 PRO 31 2HG PRO 31 -1.168 -1.367 1.566 243 HD2 PRO 31 1HD PRO 31 -2.002 -3.149 3.372 244 HD3 PRO 31 2HD PRO 31 -2.932 -1.667 3.052 245 H ILE 32 H ILE 32 -2.347 -5.149 0.768 246 HA ILE 32 HA ILE 32 -2.609 -6.130 -1.829 247 HB ILE 32 HB ILE 32 -1.876 -7.715 0.632 248 HG12 ILE 32 1HG1 ILE 32 -0.552 -5.549 0.074 249 HG13 ILE 32 2HG1 ILE 32 0.343 -7.028 0.400 250 HG21 ILE 32 1HG2 ILE 32 -0.859 -9.291 -0.796 251 HG22 ILE 32 2HG2 ILE 32 -2.450 -8.973 -1.488 252 HG23 ILE 32 3HG2 ILE 32 -1.014 -8.234 -2.200 253 HD11 ILE 32 3HD1 ILE 32 -0.344 -6.433 -2.421 254 HD12 ILE 32 1HD1 ILE 32 0.907 -5.457 -1.646 255 HD13 ILE 32 2HD1 ILE 32 1.084 -7.213 -1.734 256 H CYS 33 H CYS 33 -4.201 -7.281 1.147 257 HA CYS 33 HA CYS 33 -5.794 -9.085 -0.524 258 HB2 CYS 33 1HB CYS 33 -6.048 -10.468 1.475 259 HB3 CYS 33 2HB CYS 33 -4.352 -10.152 1.136 260 H ASP 34 H ASP 34 -6.122 -6.336 1.461 261 HA ASP 34 HA ASP 34 -7.881 -5.126 2.207 262 HB2 ASP 34 1HB ASP 34 -8.750 -5.497 -0.123 263 HB3 ASP 34 2HB ASP 34 -9.655 -6.873 0.497 264 H SER 35 H SER 35 -7.335 -6.178 4.203 265 HA SER 35 HA SER 35 -9.597 -7.421 5.456 266 HB2 SER 35 1HB SER 35 -8.507 -9.387 4.441 267 HB3 SER 35 2HB SER 35 -6.984 -8.944 5.209 268 HG SER 35 HG SER 35 -9.328 -9.394 6.730 269 H TYR 36 H TYR 36 -9.497 -7.245 7.715 270 HA TYR 36 HA TYR 36 -7.587 -5.263 8.648 271 HB2 TYR 36 1HB TYR 36 -10.054 -6.472 9.890 272 HB3 TYR 36 2HB TYR 36 -8.997 -5.366 10.758 273 HD1 TYR 36 HD2 TYR 36 -10.683 -5.487 7.403 274 HD2 TYR 36 HD1 TYR 36 -9.717 -3.203 10.859 275 HE1 TYR 36 HE2 TYR 36 -11.924 -3.581 6.483 276 HE2 TYR 36 HE1 TYR 36 -10.966 -1.291 9.952 277 HH TYR 36 HH TYR 36 -12.960 -1.035 8.253 278 H VAL 37 H VAL 37 -6.649 -7.949 8.107 279 HA VAL 37 HA VAL 37 -6.088 -9.187 10.644 280 HB VAL 37 HB VAL 37 -6.247 -10.640 8.743 281 HG11 VAL 37 1HG1 VAL 37 -5.803 -9.534 6.823 282 HG12 VAL 37 2HG1 VAL 37 -4.414 -8.682 7.501 283 HG13 VAL 37 3HG1 VAL 37 -4.263 -10.371 7.020 284 HG21 VAL 37 3HG2 VAL 37 -3.804 -11.549 8.665 285 HG22 VAL 37 1HG2 VAL 37 -3.528 -10.360 9.937 286 HG23 VAL 37 2HG2 VAL 37 -4.733 -11.629 10.162 287 H ARG 38 H ARG 38 -4.047 -9.294 11.620 288 HA ARG 38 HA ARG 38 -2.945 -6.920 12.225 289 HB2 ARG 38 1HB ARG 38 -1.351 -9.478 12.283 290 HB3 ARG 38 2HB ARG 38 -1.167 -8.082 13.334 291 HG2 ARG 38 1HG ARG 38 -3.430 -8.502 14.222 292 HG3 ARG 38 2HG ARG 38 -3.500 -9.959 13.230 293 HD2 ARG 38 1HD ARG 38 -1.637 -10.918 14.415 294 HD3 ARG 38 2HD ARG 38 -1.411 -9.428 15.333 295 HE ARG 38 HE ARG 38 -4.018 -10.247 15.784 296 HH11 ARG 38 2HH1 ARG 38 -0.787 -11.462 16.387 297 HH12 ARG 38 1HH1 ARG 38 -1.266 -12.393 17.780 298 HH21 ARG 38 2HH2 ARG 38 -4.631 -11.414 17.638 299 HH22 ARG 38 1HH2 ARG 38 -3.447 -12.340 18.506 300 HA PRO 39 HA PRO 39 -0.232 -5.904 8.813 301 HB2 PRO 39 1HB PRO 39 0.360 -3.431 9.662 302 HB3 PRO 39 2HB PRO 39 -1.222 -3.824 8.981 303 HG2 PRO 39 1HG PRO 39 -0.421 -3.456 11.828 304 HG3 PRO 39 2HG PRO 39 -1.922 -2.985 11.013 305 HD2 PRO 39 1HD PRO 39 -1.584 -5.245 12.589 306 HD3 PRO 39 2HD PRO 39 -2.884 -5.000 11.408 307 H LYS 40 H LYS 40 2.029 -5.799 8.543 308 HA LYS 40 HA LYS 40 3.620 -5.925 11.020 309 HB2 LYS 40 1HB LYS 40 3.245 -8.194 10.145 310 HB3 LYS 40 2HB LYS 40 3.949 -7.713 8.608 311 HG2 LYS 40 1HG LYS 40 6.068 -7.200 9.833 312 HG3 LYS 40 2HG LYS 40 5.337 -7.915 11.270 313 HD2 LYS 40 1HD LYS 40 5.788 -9.318 8.637 314 HD3 LYS 40 2HD LYS 40 6.773 -9.511 10.088 315 HE2 LYS 40 1HE LYS 40 3.847 -10.192 9.828 316 HE3 LYS 40 2HE LYS 40 5.180 -11.346 9.838 317 HZ1 LYS 40 3HZ LYS 40 5.612 -9.968 12.103 318 HZ2 LYS 40 1HZ LYS 40 4.763 -11.434 12.018 319 HZ3 LYS 40 2HZ LYS 40 3.916 -9.967 12.035 320 H ARG 41 H ARG 41 4.153 -5.879 7.474 321 HA ARG 41 HA ARG 41 6.513 -4.219 7.969 322 HB2 ARG 41 1HB ARG 41 5.689 -5.831 5.551 323 HB3 ARG 41 2HB ARG 41 7.147 -4.853 5.640 324 HG2 ARG 41 1HG ARG 41 7.864 -6.235 7.592 325 HG3 ARG 41 2HG ARG 41 6.480 -7.281 7.284 326 HD2 ARG 41 1HD ARG 41 8.496 -8.212 6.290 327 HD3 ARG 41 2HD ARG 41 7.342 -7.757 5.038 328 HE ARG 41 HE ARG 41 9.899 -6.462 5.628 329 HH11 ARG 41 2HH1 ARG 41 7.095 -6.770 3.572 330 HH12 ARG 41 1HH1 ARG 41 7.610 -5.528 2.465 331 HH21 ARG 41 2HH2 ARG 41 10.603 -4.856 4.170 332 HH22 ARG 41 1HH2 ARG 41 9.591 -4.424 2.814 333 H LYS 42 H LYS 42 6.894 -2.267 6.980 334 HA LYS 42 HA LYS 42 4.609 -0.730 6.217 335 HB2 LYS 42 1HB LYS 42 7.561 -0.110 6.087 336 HB3 LYS 42 2HB LYS 42 6.291 1.051 5.719 337 HG2 LYS 42 1HG LYS 42 5.417 0.749 8.017 338 HG3 LYS 42 2HG LYS 42 6.799 -0.295 8.364 339 HD2 LYS 42 1HD LYS 42 8.325 1.536 7.926 340 HD3 LYS 42 2HD LYS 42 6.976 2.578 7.461 341 HE2 LYS 42 1HE LYS 42 7.617 3.128 9.704 342 HE3 LYS 42 2HE LYS 42 6.055 2.317 9.750 343 HZ1 LYS 42 3HZ LYS 42 8.559 1.525 10.907 344 HZ2 LYS 42 1HZ LYS 42 7.828 0.277 10.025 345 HZ3 LYS 42 2HZ LYS 42 6.987 1.028 11.292 346 H VAL 43 H VAL 43 3.901 -0.108 4.265 347 HA VAL 43 HA VAL 43 4.663 -1.715 2.024 348 HB VAL 43 HB VAL 43 2.871 -0.553 0.823 349 HG11 VAL 43 1HG1 VAL 43 2.116 -1.442 3.602 350 HG12 VAL 43 2HG1 VAL 43 0.999 -1.274 2.247 351 HG13 VAL 43 3HG1 VAL 43 2.292 -2.472 2.180 352 HG21 VAL 43 3HG2 VAL 43 2.434 1.551 1.368 353 HG22 VAL 43 1HG2 VAL 43 1.559 0.918 2.762 354 HG23 VAL 43 2HG2 VAL 43 3.250 1.392 2.921 355 H ARG 44 H ARG 44 5.517 -1.083 0.063 356 HA ARG 44 HA ARG 44 6.431 1.689 -0.177 357 HB2 ARG 44 1HB ARG 44 8.113 -0.782 -0.585 358 HB3 ARG 44 2HB ARG 44 8.538 0.776 -1.284 359 HG2 ARG 44 1HG ARG 44 8.853 1.760 0.827 360 HG3 ARG 44 2HG ARG 44 8.039 0.432 1.653 361 HD2 ARG 44 1HD ARG 44 9.860 -1.066 1.076 362 HD3 ARG 44 2HD ARG 44 10.664 0.226 0.186 363 HE ARG 44 HE ARG 44 10.300 1.215 2.720 364 HH11 ARG 44 2HH1 ARG 44 11.919 -1.561 1.319 365 HH12 ARG 44 1HH1 ARG 44 13.162 -1.613 2.541 366 HH21 ARG 44 2HH2 ARG 44 11.910 1.148 4.328 367 HH22 ARG 44 1HH2 ARG 44 13.140 -0.081 4.266 368 H VAL 45 H VAL 45 5.623 2.528 -1.932 369 HA VAL 45 HA VAL 45 4.327 0.812 -3.854 370 HB VAL 45 HB VAL 45 3.426 2.917 -4.808 371 HG11 VAL 45 1HG1 VAL 45 2.844 3.281 -1.960 372 HG12 VAL 45 2HG1 VAL 45 1.769 2.887 -3.302 373 HG13 VAL 45 3HG1 VAL 45 2.711 1.614 -2.527 374 HG21 VAL 45 3HG2 VAL 45 4.990 4.582 -4.446 375 HG22 VAL 45 1HG2 VAL 45 3.763 4.950 -3.233 376 HG23 VAL 45 2HG2 VAL 45 5.246 4.120 -2.762 377 H CYS 46 H CYS 46 4.510 1.047 -6.126 378 HA CYS 46 HA CYS 46 7.205 1.065 -7.001 379 HB2 CYS 46 1HB CYS 46 6.412 0.330 -9.068 380 HB3 CYS 46 2HB CYS 46 5.232 -0.303 -7.930 381 H GLU 47 H GLU 47 8.025 2.335 -8.779 382 HA GLU 47 HA GLU 47 8.054 5.041 -8.254 383 HB2 GLU 47 1HB GLU 47 9.750 3.776 -9.555 384 HB3 GLU 47 2HB GLU 47 8.632 3.723 -10.909 385 HG2 GLU 47 1HG GLU 47 10.318 5.447 -11.194 386 HG3 GLU 47 2HG GLU 47 8.702 6.141 -11.089 387 H ASN 48 H ASN 48 6.046 3.267 -10.590 388 HA ASN 48 HA ASN 48 4.942 5.481 -11.901 389 HB2 ASN 48 1HB ASN 48 4.560 2.683 -11.919 390 HB3 ASN 48 2HB ASN 48 2.974 3.413 -11.679 391 HD21 ASN 48 1HD2 ASN 48 1.920 3.919 -13.449 392 HD22 ASN 48 2HD2 ASN 48 2.632 4.272 -14.994 393 H CYS 49 H CYS 49 4.030 3.978 -8.843 394 HA CYS 49 HA CYS 49 1.734 5.792 -8.646 395 HB2 CYS 49 1HB CYS 49 2.549 3.549 -6.795 396 HB3 CYS 49 2HB CYS 49 1.054 4.473 -6.713 397 H SER 50 H SER 50 4.475 6.818 -8.411 398 HA SER 50 HA SER 50 4.168 8.120 -5.844 399 HB2 SER 50 1HB SER 50 6.484 7.502 -5.118 400 HB3 SER 50 2HB SER 50 5.351 6.153 -5.148 401 HG SER 50 HG SER 50 6.299 5.374 -6.962 402 H PHE 51 H PHE 51 5.841 7.862 -8.902 403 HA PHE 51 HA PHE 51 7.828 9.641 -8.644 404 HB2 PHE 51 1HB PHE 51 7.823 9.992 -11.042 405 HB3 PHE 51 2HB PHE 51 7.491 8.314 -10.661 406 HD1 PHE 51 HD2 PHE 51 5.911 11.480 -11.763 407 HD2 PHE 51 HD1 PHE 51 5.577 7.248 -11.475 408 HE1 PHE 51 HE2 PHE 51 3.964 11.535 -13.265 409 HE2 PHE 51 HE1 PHE 51 3.642 7.296 -12.989 410 HZ PHE 51 HZ PHE 51 2.827 9.439 -13.882 411 H GLY 52 H GLY 52 4.463 10.599 -9.327 412 HA2 GLY 52 2HA GLY 52 4.725 13.058 -8.045 413 HA3 GLY 52 1HA GLY 52 5.095 13.324 -9.739 414 H LYS 53 H LYS 53 3.031 14.491 -8.290 415 HA LYS 53 HA LYS 53 0.815 14.953 -8.244 416 HB2 LYS 53 1HB LYS 53 -0.141 15.331 -10.435 417 HB3 LYS 53 2HB LYS 53 1.542 15.828 -10.408 418 HG2 LYS 53 1HG LYS 53 2.126 13.694 -11.537 419 HG3 LYS 53 2HG LYS 53 0.401 13.339 -11.658 420 HD2 LYS 53 1HD LYS 53 0.109 15.476 -12.897 421 HD3 LYS 53 2HD LYS 53 1.861 15.682 -12.874 422 HE2 LYS 53 1HE LYS 53 1.213 14.742 -14.988 423 HE3 LYS 53 2HE LYS 53 2.085 13.521 -14.062 424 HZ1 LYS 53 3HZ LYS 53 -0.574 13.196 -13.408 425 HZ2 LYS 53 1HZ LYS 53 0.361 12.195 -14.409 426 HZ3 LYS 53 2HZ LYS 53 -0.562 13.444 -15.084 427 H GLN 54 H GLN 54 1.209 12.214 -7.498 428 HA GLN 54 HA GLN 54 -1.423 11.381 -7.380 429 HB2 GLN 54 1HB GLN 54 -0.830 11.013 -9.914 430 HB3 GLN 54 2HB GLN 54 -0.028 9.565 -9.321 431 HG2 GLN 54 1HG GLN 54 -2.012 8.587 -8.641 432 HG3 GLN 54 2HG GLN 54 -2.873 10.125 -8.594 433 HE21 GLN 54 1HE2 GLN 54 -1.170 10.351 -11.321 434 HE22 GLN 54 2HE2 GLN 54 -2.296 9.685 -12.454 435 H ALA 55 H ALA 55 0.606 11.545 -5.601 436 HA ALA 55 HA ALA 55 1.140 8.721 -4.929 437 HB1 ALA 55 3HB ALA 55 3.336 9.233 -4.200 438 HB2 ALA 55 1HB ALA 55 3.148 9.940 -5.806 439 HB3 ALA 55 2HB ALA 55 3.062 10.965 -4.373 440 H LYS 56 H LYS 56 0.358 11.935 -3.811 441 HA LYS 56 HA LYS 56 0.619 11.392 -1.024 442 HB2 LYS 56 1HB LYS 56 -0.932 13.549 -2.470 443 HB3 LYS 56 2HB LYS 56 -0.626 13.514 -0.737 444 HG2 LYS 56 1HG LYS 56 1.459 13.687 -2.900 445 HG3 LYS 56 2HG LYS 56 0.920 15.006 -1.855 446 HD2 LYS 56 1HD LYS 56 1.947 14.124 0.013 447 HD3 LYS 56 2HD LYS 56 1.940 12.482 -0.635 448 HE2 LYS 56 1HE LYS 56 3.653 13.101 -2.243 449 HE3 LYS 56 2HE LYS 56 3.650 14.754 -1.626 450 HZ1 LYS 56 3HZ LYS 56 4.103 13.488 0.618 451 HZ2 LYS 56 1HZ LYS 56 5.365 13.904 -0.432 452 HZ3 LYS 56 2HZ LYS 56 4.749 12.324 -0.430 453 H ASN 57 H ASN 57 -1.874 10.991 -3.381 454 HA ASN 57 HA ASN 57 -4.038 10.685 -1.581 455 HB2 ASN 57 1HB ASN 57 -5.252 9.695 -3.452 456 HB3 ASN 57 2HB ASN 57 -4.420 11.151 -3.958 457 HD21 ASN 57 1HD2 ASN 57 -3.381 11.032 -5.811 458 HD22 ASN 57 2HD2 ASN 57 -2.804 9.577 -6.550 459 H CYS 58 H CYS 58 -4.952 8.913 -0.725 460 HA CYS 58 HA CYS 58 -3.312 6.962 0.317 461 HB2 CYS 58 1HB CYS 58 -5.219 7.355 1.516 462 HB3 CYS 58 2HB CYS 58 -6.237 7.421 0.088 463 H ILE 59 H ILE 59 -2.586 5.089 -0.314 464 HA ILE 59 HA ILE 59 -2.528 4.435 -2.991 465 HB ILE 59 HB ILE 59 -1.382 2.335 -2.271 466 HG12 ILE 59 1HG1 ILE 59 -2.092 3.411 0.470 467 HG13 ILE 59 2HG1 ILE 59 -2.563 1.859 -0.210 468 HG21 ILE 59 1HG2 ILE 59 0.009 4.235 -0.616 469 HG22 ILE 59 2HG2 ILE 59 0.438 3.609 -2.208 470 HG23 ILE 59 3HG2 ILE 59 -0.621 5.014 -2.068 471 HD11 ILE 59 3HD1 ILE 59 -0.791 0.957 0.750 472 HD12 ILE 59 1HD1 ILE 59 0.244 1.937 -0.289 473 HD13 ILE 59 2HD1 ILE 59 -0.238 2.541 1.300 474 H ILE 60 H ILE 60 -4.776 3.277 -0.591 475 HA ILE 60 HA ILE 60 -5.554 0.996 -2.142 476 HB ILE 60 HB ILE 60 -6.802 2.239 0.306 477 HG12 ILE 60 1HG1 ILE 60 -5.160 -0.263 -0.146 478 HG13 ILE 60 2HG1 ILE 60 -4.648 1.186 0.712 479 HG21 ILE 60 1HG2 ILE 60 -7.540 -0.421 -0.895 480 HG22 ILE 60 2HG2 ILE 60 -8.322 0.428 0.439 481 HG23 ILE 60 3HG2 ILE 60 -8.450 1.059 -1.203 482 HD11 ILE 60 3HD1 ILE 60 -5.849 0.668 2.581 483 HD12 ILE 60 1HD1 ILE 60 -7.054 -0.261 1.688 484 HD13 ILE 60 2HD1 ILE 60 -5.460 -0.950 1.996 485 H CYS 61 H CYS 61 -6.965 4.229 -1.585 486 HA CYS 61 HA CYS 61 -9.004 3.484 -3.555 487 HB2 CYS 61 1HB CYS 61 -10.445 5.221 -2.624 488 HB3 CYS 61 2HB CYS 61 -9.965 4.050 -1.404 489 H ASN 62 H ASN 62 -6.247 5.390 -3.257 490 HA ASN 62 HA ASN 62 -5.251 6.958 -4.589 491 HB2 ASN 62 1HB ASN 62 -7.078 6.262 -6.851 492 HB3 ASN 62 2HB ASN 62 -5.342 6.553 -6.864 493 HD21 ASN 62 1HD2 ASN 62 -7.864 4.288 -6.444 494 HD22 ASN 62 2HD2 ASN 62 -6.876 2.857 -6.390 495 H LEU 63 H LEU 63 -7.716 7.768 -3.178 496 HA LEU 63 HA LEU 63 -8.560 9.929 -4.978 497 HB2 LEU 63 1HB LEU 63 -9.974 7.676 -4.383 498 HB3 LEU 63 2HB LEU 63 -10.567 8.774 -3.161 499 HG LEU 63 HG LEU 63 -12.054 8.838 -5.040 500 HD11 LEU 63 1HD1 LEU 63 -10.841 11.081 -3.974 501 HD12 LEU 63 2HD1 LEU 63 -10.791 11.358 -5.714 502 HD13 LEU 63 3HD1 LEU 63 -12.330 11.041 -4.915 503 HD21 LEU 63 3HD2 LEU 63 -10.133 8.062 -6.600 504 HD22 LEU 63 1HD2 LEU 63 -11.425 9.075 -7.254 505 HD23 LEU 63 2HD2 LEU 63 -9.865 9.789 -6.842 506 H ASN 64 H ASN 64 -9.118 8.846 -1.634 507 HA ASN 64 HA ASN 64 -8.980 11.564 -0.642 508 HB2 ASN 64 1HB ASN 64 -9.312 8.894 0.734 509 HB3 ASN 64 2HB ASN 64 -9.214 10.422 1.604 510 HD21 ASN 64 1HD2 ASN 64 -11.260 8.225 0.174 511 HD22 ASN 64 2HD2 ASN 64 -12.674 9.210 0.052 512 H VAL 65 H VAL 65 -7.285 12.458 0.463 513 HA VAL 65 HA VAL 65 -4.714 11.538 -0.168 514 HB VAL 65 HB VAL 65 -5.363 13.475 2.055 515 HG11 VAL 65 1HG1 VAL 65 -3.122 14.406 0.933 516 HG12 VAL 65 2HG1 VAL 65 -3.118 13.236 2.254 517 HG13 VAL 65 3HG1 VAL 65 -2.920 12.686 0.591 518 HG21 VAL 65 3HG2 VAL 65 -6.097 13.715 -0.620 519 HG22 VAL 65 1HG2 VAL 65 -6.034 15.002 0.585 520 HG23 VAL 65 2HG2 VAL 65 -4.640 14.695 -0.454 521 H GLY 66 H GLY 66 -3.225 10.346 0.876 522 HA2 GLY 66 2HA GLY 66 -4.100 8.677 3.044 523 HA3 GLY 66 1HA GLY 66 -2.526 8.643 2.266 524 H VAL 67 H VAL 67 -3.463 8.664 5.139 525 HA VAL 67 HA VAL 67 -1.902 10.999 6.013 526 HB VAL 67 HB VAL 67 -3.121 10.795 8.192 527 HG11 VAL 67 1HG1 VAL 67 -4.277 12.480 7.326 528 HG12 VAL 67 2HG1 VAL 67 -4.005 11.859 5.698 529 HG13 VAL 67 3HG1 VAL 67 -5.409 11.325 6.622 530 HG21 VAL 67 3HG2 VAL 67 -4.948 8.965 6.637 531 HG22 VAL 67 1HG2 VAL 67 -3.865 8.460 7.933 532 HG23 VAL 67 2HG2 VAL 67 -5.203 9.556 8.278 533 H ASN 68 H ASN 68 -2.536 7.554 6.692 534 HA ASN 68 HA ASN 68 -0.024 7.521 8.247 535 HB2 ASN 68 1HB ASN 68 -2.332 5.575 8.439 536 HB3 ASN 68 2HB ASN 68 -0.893 5.591 9.450 537 HD21 ASN 68 1HD2 ASN 68 -4.011 6.208 9.520 538 HD22 ASN 68 2HD2 ASN 68 -4.073 7.527 10.655 539 H ASP 69 H ASP 69 1.522 5.991 7.796 540 HA ASP 69 HA ASP 69 1.658 4.923 5.169 541 HB2 ASP 69 1HB ASP 69 3.214 3.993 7.601 542 HB3 ASP 69 2HB ASP 69 3.661 3.756 5.917 543 H ALA 70 H ALA 70 1.121 2.959 4.350 544 HA ALA 70 HA ALA 70 -0.654 1.295 5.903 545 HB1 ALA 70 3HB ALA 70 -0.099 1.702 3.121 546 HB2 ALA 70 1HB ALA 70 -0.052 -0.020 3.506 547 HB3 ALA 70 2HB ALA 70 -1.491 0.933 3.884 548 H PHE 71 H PHE 71 -0.393 -1.042 6.033 549 HA PHE 71 HA PHE 71 2.408 -1.913 6.055 550 HB2 PHE 71 1HB PHE 71 0.416 -2.144 8.297 551 HB3 PHE 71 2HB PHE 71 1.736 -3.291 8.142 552 HD1 PHE 71 HD2 PHE 71 1.268 0.421 8.104 553 HD2 PHE 71 HD1 PHE 71 3.558 -2.903 9.439 554 HE1 PHE 71 HE2 PHE 71 2.721 1.940 9.380 555 HE2 PHE 71 HE1 PHE 71 5.010 -1.392 10.725 556 HZ PHE 71 HZ PHE 71 4.595 1.033 10.693 557 H TYR 72 H TYR 72 2.721 -3.887 5.232 558 HA TYR 72 HA TYR 72 0.552 -5.380 4.071 559 HB2 TYR 72 1HB TYR 72 3.392 -6.292 4.598 560 HB3 TYR 72 2HB TYR 72 2.231 -7.058 3.524 561 HD1 TYR 72 HD1 TYR 72 1.506 -5.790 1.441 562 HD2 TYR 72 HD2 TYR 72 4.831 -4.622 3.821 563 HE1 TYR 72 HE1 TYR 72 2.427 -4.540 -0.468 564 HE2 TYR 72 HE2 TYR 72 5.756 -3.363 1.925 565 HH TYR 72 HH TYR 72 4.414 -3.602 -1.280 566 H CYS 73 H CYS 73 -0.667 -6.861 5.087 567 HA CYS 73 HA CYS 73 -0.423 -7.268 7.857 568 HB2 CYS 73 1HB CYS 73 -2.366 -8.585 7.715 569 HB3 CYS 73 2HB CYS 73 -2.536 -7.410 6.417 570 H TRP 74 H TRP 74 -0.319 -9.369 8.924 571 HA TRP 74 HA TRP 74 2.069 -10.690 8.584 572 HB2 TRP 74 1HB TRP 74 0.737 -10.794 10.640 573 HB3 TRP 74 2HB TRP 74 -0.494 -11.734 9.806 574 HD1 TRP 74 HD1 TRP 74 3.349 -12.319 9.890 575 HE1 TRP 74 HE1 TRP 74 3.753 -14.737 10.692 576 HE3 TRP 74 HE3 TRP 74 -1.493 -13.675 10.801 577 HZ2 TRP 74 HZ2 TRP 74 2.212 -16.917 11.599 578 HZ3 TRP 74 HZ3 TRP 74 -1.942 -15.946 11.637 579 HH2 TRP 74 HH2 TRP 74 -0.129 -17.532 12.024 580 H GLU 75 H GLU 75 -1.134 -11.664 7.415 581 HA GLU 75 HA GLU 75 -0.411 -14.139 6.343 582 HB2 GLU 75 1HB GLU 75 -2.602 -12.252 5.465 583 HB3 GLU 75 2HB GLU 75 -2.471 -13.936 4.979 584 HG2 GLU 75 1HG GLU 75 -2.726 -13.027 7.832 585 HG3 GLU 75 2HG GLU 75 -4.091 -13.495 6.820 586 H CYS 76 H CYS 76 -0.587 -10.958 4.730 587 HA CYS 76 HA CYS 76 0.251 -11.912 2.194 588 HB2 CYS 76 1HB CYS 76 0.263 -9.158 3.411 589 HB3 CYS 76 2HB CYS 76 0.851 -9.469 1.783 590 H CYS 77 H CYS 77 1.991 -10.660 4.984 591 HA CYS 77 HA CYS 77 4.530 -10.461 3.773 592 HB2 CYS 77 1HB CYS 77 3.966 -9.441 5.957 593 HB3 CYS 77 2HB CYS 77 3.855 -11.048 6.667 594 HG CYS 77 HG CYS 77 6.783 -10.667 5.191 595 H ARG 78 H ARG 78 2.903 -13.079 5.492 596 HA ARG 78 HA ARG 78 5.031 -14.943 5.345 597 HB2 ARG 78 1HB ARG 78 3.236 -15.215 6.950 598 HB3 ARG 78 2HB ARG 78 2.049 -15.333 5.659 599 HG2 ARG 78 1HG ARG 78 2.849 -17.454 4.989 600 HG3 ARG 78 2HG ARG 78 4.296 -17.301 5.989 601 HD2 ARG 78 1HD ARG 78 2.952 -17.397 8.002 602 HD3 ARG 78 2HD ARG 78 1.472 -17.439 7.043 603 HE ARG 78 HE ARG 78 3.328 -19.621 7.517 604 HH11 ARG 78 2HH1 ARG 78 0.555 -18.427 5.746 605 HH12 ARG 78 1HH1 ARG 78 0.132 -19.982 5.098 606 HH21 ARG 78 2HH2 ARG 78 2.803 -21.671 6.638 607 HH22 ARG 78 1HH2 ARG 78 1.432 -21.824 5.580 608 H LEU 79 H LEU 79 2.228 -14.303 3.287 609 HA LEU 79 HA LEU 79 2.631 -16.412 1.453 610 HB2 LEU 79 1HB LEU 79 1.266 -13.738 1.168 611 HB3 LEU 79 2HB LEU 79 1.253 -14.960 -0.090 612 HG LEU 79 HG LEU 79 0.137 -15.360 2.686 613 HD11 LEU 79 1HD1 LEU 79 -2.056 -15.199 1.607 614 HD12 LEU 79 2HD1 LEU 79 -1.150 -13.691 1.468 615 HD13 LEU 79 3HD1 LEU 79 -1.275 -14.778 0.084 616 HD21 LEU 79 3HD2 LEU 79 0.443 -17.502 2.051 617 HD22 LEU 79 1HD2 LEU 79 -1.029 -17.216 1.124 618 HD23 LEU 79 2HD2 LEU 79 0.546 -17.095 0.339 619 H GLY 80 H GLY 80 3.931 -13.171 1.671 620 HA2 GLY 80 2HA GLY 80 5.946 -12.446 0.707 621 HA3 GLY 80 1HA GLY 80 5.910 -13.839 -0.369 622 H LYS 81 H LYS 81 3.159 -11.753 0.132 623 HA LYS 81 HA LYS 81 3.217 -10.974 -2.673 624 HB2 LYS 81 1HB LYS 81 1.186 -10.653 -0.472 625 HB3 LYS 81 2HB LYS 81 1.033 -9.807 -2.006 626 HG2 LYS 81 1HG LYS 81 1.013 -11.948 -3.186 627 HG3 LYS 81 2HG LYS 81 1.168 -12.795 -1.645 628 HD2 LYS 81 1HD LYS 81 -0.972 -12.093 -0.934 629 HD3 LYS 81 2HD LYS 81 -1.087 -10.891 -2.220 630 HE2 LYS 81 1HE LYS 81 -2.490 -12.778 -2.755 631 HE3 LYS 81 2HE LYS 81 -1.136 -12.713 -3.881 632 HZ1 LYS 81 3HZ LYS 81 -1.595 -14.599 -1.658 633 HZ2 LYS 81 1HZ LYS 81 -0.043 -14.374 -2.306 634 HZ3 LYS 81 2HZ LYS 81 -1.302 -14.938 -3.289 635 H ASP 82 H ASP 82 4.042 -9.829 0.430 636 HA ASP 82 HA ASP 82 3.975 -7.031 -0.076 637 HB2 ASP 82 1HB ASP 82 5.386 -6.818 1.908 638 HB3 ASP 82 2HB ASP 82 4.050 -7.917 2.216 639 H LYS 83 H LYS 83 6.450 -9.533 -0.349 640 HA LYS 83 HA LYS 83 8.492 -7.717 -1.166 641 HB2 LYS 83 1HB LYS 83 9.851 -9.681 -1.589 642 HB3 LYS 83 2HB LYS 83 9.004 -9.867 -0.062 643 HG2 LYS 83 1HG LYS 83 7.345 -11.303 -1.199 644 HG3 LYS 83 2HG LYS 83 8.289 -11.171 -2.683 645 HD2 LYS 83 1HD LYS 83 9.330 -12.272 -0.073 646 HD3 LYS 83 2HD LYS 83 8.733 -13.254 -1.410 647 HE2 LYS 83 1HE LYS 83 11.024 -11.306 -1.620 648 HE3 LYS 83 2HE LYS 83 11.217 -13.032 -1.322 649 HZ1 LYS 83 3HZ LYS 83 9.883 -13.317 -3.466 650 HZ2 LYS 83 1HZ LYS 83 11.492 -12.803 -3.608 651 HZ3 LYS 83 2HZ LYS 83 10.230 -11.685 -3.763 652 H ASP 84 H ASP 84 5.870 -9.161 -2.778 653 HA ASP 84 HA ASP 84 7.000 -9.460 -5.345 654 HB2 ASP 84 1HB ASP 84 4.670 -10.260 -4.404 655 HB3 ASP 84 2HB ASP 84 4.118 -8.719 -5.063 656 H GLY 85 H GLY 85 5.115 -6.778 -3.896 657 HA2 GLY 85 2HA GLY 85 6.821 -4.841 -4.631 658 HA3 GLY 85 1HA GLY 85 5.876 -5.038 -6.089 659 H CYS 86 H CYS 86 4.932 -3.238 -6.213 660 HA CYS 86 HA CYS 86 4.157 -1.501 -4.227 661 HB2 CYS 86 1HB CYS 86 4.626 -0.867 -6.499 662 HB3 CYS 86 2HB CYS 86 3.269 -1.808 -7.091 663 HA PRO 87 HA PRO 87 0.213 -3.302 -3.026 664 HB2 PRO 87 1HB PRO 87 -0.051 -1.963 -0.745 665 HB3 PRO 87 2HB PRO 87 1.194 -3.209 -0.915 666 HG2 PRO 87 1HG PRO 87 1.457 -0.232 -1.084 667 HG3 PRO 87 2HG PRO 87 2.510 -1.403 -0.274 668 HD2 PRO 87 1HD PRO 87 2.977 -0.331 -2.775 669 HD3 PRO 87 2HD PRO 87 3.660 -1.860 -2.190 670 H ARG 88 H ARG 88 -0.010 -1.499 -5.086 671 HA ARG 88 HA ARG 88 -1.828 0.598 -4.136 672 HB2 ARG 88 1HB ARG 88 -0.136 0.235 -6.536 673 HB3 ARG 88 2HB ARG 88 -1.673 1.053 -6.781 674 HG2 ARG 88 1HG ARG 88 -0.033 1.962 -4.506 675 HG3 ARG 88 2HG ARG 88 0.562 2.329 -6.128 676 HD2 ARG 88 1HD ARG 88 -1.484 3.444 -6.685 677 HD3 ARG 88 2HD ARG 88 -2.222 2.948 -5.164 678 HE ARG 88 HE ARG 88 0.164 4.439 -4.732 679 HH11 ARG 88 2HH1 ARG 88 -3.224 4.795 -5.537 680 HH12 ARG 88 1HH1 ARG 88 -3.306 6.429 -4.946 681 HH21 ARG 88 2HH2 ARG 88 0.037 6.585 -3.952 682 HH22 ARG 88 1HH2 ARG 88 -1.479 7.426 -4.021 683 H ILE 89 H ILE 89 -3.948 0.428 -4.353 684 HA ILE 89 HA ILE 89 -5.032 -1.753 -5.973 685 HB ILE 89 HB ILE 89 -6.418 0.084 -4.013 686 HG12 ILE 89 1HG1 ILE 89 -4.968 -1.617 -2.975 687 HG13 ILE 89 2HG1 ILE 89 -6.670 -1.946 -2.658 688 HG21 ILE 89 1HG2 ILE 89 -7.553 -2.256 -5.542 689 HG22 ILE 89 2HG2 ILE 89 -8.409 -1.250 -4.374 690 HG23 ILE 89 3HG2 ILE 89 -7.866 -0.560 -5.906 691 HD11 ILE 89 3HD1 ILE 89 -6.364 -3.441 -4.841 692 HD12 ILE 89 1HD1 ILE 89 -4.702 -3.470 -4.247 693 HD13 ILE 89 2HD1 ILE 89 -6.016 -4.036 -3.217 694 H LEU 90 H LEU 90 -4.615 -0.931 -7.970 695 HA LEU 90 HA LEU 90 -5.219 1.687 -8.822 696 HB2 LEU 90 1HB LEU 90 -5.152 -0.644 -10.688 697 HB3 LEU 90 2HB LEU 90 -4.576 0.995 -10.943 698 HG LEU 90 HG LEU 90 -3.257 -0.818 -8.940 699 HD11 LEU 90 1HD1 LEU 90 -3.251 -2.038 -10.997 700 HD12 LEU 90 2HD1 LEU 90 -2.687 -0.616 -11.879 701 HD13 LEU 90 3HD1 LEU 90 -1.638 -1.387 -10.688 702 HD21 LEU 90 3HD2 LEU 90 -2.593 1.447 -8.720 703 HD22 LEU 90 1HD2 LEU 90 -1.293 0.604 -9.566 704 HD23 LEU 90 2HD2 LEU 90 -2.411 1.634 -10.466 705 H ASN 91 H ASN 91 -7.030 -1.259 -8.579 706 HA ASN 91 HA ASN 91 -9.267 -1.047 -10.084 707 HB2 ASN 91 1HB ASN 91 -8.637 -2.611 -8.077 708 HB3 ASN 91 2HB ASN 91 -9.569 -1.464 -7.127 709 HD21 ASN 91 1HD2 ASN 91 -9.980 -4.269 -7.748 710 HD22 ASN 91 2HD2 ASN 91 -11.562 -4.391 -8.435 711 H LEU 92 H LEU 92 -11.173 0.108 -10.085 712 HA LEU 92 HA LEU 92 -11.141 2.774 -9.175 713 HB2 LEU 92 1HB LEU 92 -12.436 2.005 -11.112 714 HB3 LEU 92 2HB LEU 92 -13.471 1.068 -10.047 715 HG LEU 92 HG LEU 92 -14.061 3.268 -8.912 716 HD11 LEU 92 1HD1 LEU 92 -12.681 4.940 -9.497 717 HD12 LEU 92 2HD1 LEU 92 -12.299 4.224 -11.064 718 HD13 LEU 92 3HD1 LEU 92 -13.802 5.121 -10.846 719 HD21 LEU 92 3HD2 LEU 92 -15.927 3.021 -10.064 720 HD22 LEU 92 1HD2 LEU 92 -15.181 3.783 -11.469 721 HD23 LEU 92 2HD2 LEU 92 -15.066 2.037 -11.248 722 H GLY 93 H GLY 93 -11.760 3.679 -7.331 723 HA2 GLY 93 2HA GLY 93 -12.787 2.058 -5.153 724 HA3 GLY 93 1HA GLY 93 -12.375 3.767 -5.086 725 H SER 94 H SER 94 -14.636 1.778 -6.961 726 HA SER 94 HA SER 94 -16.562 3.806 -7.225 727 HB2 SER 94 1HB SER 94 -16.293 1.785 -8.709 728 HB3 SER 94 2HB SER 94 -17.048 0.825 -7.437 729 HG SER 94 HG SER 94 -18.283 2.061 -9.329 730 H ASN 95 H ASN 95 -16.055 1.324 -4.824 731 HA ASN 95 HA ASN 95 -16.964 0.941 -2.783 732 HB2 ASN 95 1HB ASN 95 -16.597 3.492 -2.730 733 HB3 ASN 95 2HB ASN 95 -18.333 3.620 -2.972 734 HD21 ASN 95 1HD2 ASN 95 -17.698 0.851 -1.205 735 HD22 ASN 95 2HD2 ASN 95 -17.936 1.498 0.380 736 H ARG 96 H ARG 96 -18.276 -0.303 -4.756 737 HA ARG 96 HA ARG 96 -21.087 -0.082 -3.915 738 HB2 ARG 96 1HB ARG 96 -21.673 -0.869 -6.271 739 HB3 ARG 96 2HB ARG 96 -21.155 0.798 -6.093 740 HG2 ARG 96 1HG ARG 96 -20.083 0.024 -8.016 741 HG3 ARG 96 2HG ARG 96 -18.842 -0.006 -6.763 742 HD2 ARG 96 1HD ARG 96 -19.360 -2.427 -6.434 743 HD3 ARG 96 2HD ARG 96 -20.413 -2.335 -7.844 744 HE ARG 96 HE ARG 96 -17.853 -1.359 -8.502 745 HH11 ARG 96 2HH1 ARG 96 -19.572 -4.348 -7.864 746 HH12 ARG 96 1HH1 ARG 96 -18.427 -5.335 -8.728 747 HH21 ARG 96 2HH2 ARG 96 -16.364 -2.645 -9.645 748 HH22 ARG 96 1HH2 ARG 96 -16.578 -4.376 -9.709 749 H LEU 97 H LEU 97 -18.915 -1.741 -2.954 750 HA LEU 97 HA LEU 97 -20.040 -4.395 -3.582 751 HB2 LEU 97 1HB LEU 97 -17.285 -3.629 -2.611 752 HB3 LEU 97 2HB LEU 97 -17.880 -5.279 -2.617 753 HG LEU 97 HG LEU 97 -17.725 -3.603 -5.116 754 HD11 LEU 97 1HD1 LEU 97 -15.573 -4.698 -3.594 755 HD12 LEU 97 2HD1 LEU 97 -15.720 -5.576 -5.116 756 HD13 LEU 97 3HD1 LEU 97 -15.525 -3.824 -5.124 757 HD21 LEU 97 3HD2 LEU 97 -18.761 -6.192 -4.472 758 HD22 LEU 97 1HD2 LEU 97 -18.788 -5.331 -6.011 759 HD23 LEU 97 2HD2 LEU 97 -17.411 -6.353 -5.597 760 H ASP 98 H ASP 98 -21.314 -5.130 -2.056 761 HA ASP 98 HA ASP 98 -22.303 -5.532 -0.054 762 HB2 ASP 98 1HB ASP 98 -19.689 -4.507 1.039 763 HB3 ASP 98 2HB ASP 98 -21.033 -4.940 2.087 764 H ARG 99 H ARG 99 -23.786 -4.449 1.170 765 HA ARG 99 HA ARG 99 -24.140 -1.672 0.509 766 HB2 ARG 99 1HB ARG 99 -25.756 -3.547 2.234 767 HB3 ARG 99 2HB ARG 99 -26.227 -1.891 1.870 768 HG2 ARG 99 1HG ARG 99 -25.744 -4.007 -0.206 769 HG3 ARG 99 2HG ARG 99 -27.331 -3.602 0.455 770 HD2 ARG 99 1HD ARG 99 -27.119 -1.329 -0.364 771 HD3 ARG 99 2HD ARG 99 -25.496 -1.667 -0.959 772 HE ARG 99 HE ARG 99 -27.225 -3.499 -2.152 773 HH11 ARG 99 2HH1 ARG 99 -26.734 -0.029 -2.083 774 HH12 ARG 99 1HH1 ARG 99 -27.275 0.217 -3.719 775 HH21 ARG 99 2HH2 ARG 99 -27.954 -3.187 -4.311 776 HH22 ARG 99 1HH2 ARG 99 -27.957 -1.583 -4.994 777 H HIS 100 H HIS 100 -21.919 -1.422 1.693 778 HA HIS 100 HA HIS 100 -21.927 -1.280 4.521 779 HB2 HIS 100 1HB HIS 100 -20.148 0.090 2.489 780 HB3 HIS 100 2HB HIS 100 -19.872 0.132 4.228 781 HD1 HIS 100 HD1 HIS 100 -20.075 -2.690 5.102 782 HD2 HIS 100 HD2 HIS 100 -18.347 -1.622 1.471 783 HE1 HIS 100 HE1 HIS 100 -18.529 -4.583 4.502 784 HE2 HIS 100 HE2 HIS 100 -17.632 -4.001 2.218 785 H PHE 101 H PHE 101 -22.624 0.270 5.864 786 HA PHE 101 HA PHE 101 -23.742 2.697 4.653 787 HB2 PHE 101 1HB PHE 101 -25.034 2.963 6.715 788 HB3 PHE 101 2HB PHE 101 -25.308 1.376 6.009 789 HD1 PHE 101 HD2 PHE 101 -23.556 3.181 8.720 790 HD2 PHE 101 HD1 PHE 101 -24.833 -0.591 7.215 791 HE1 PHE 101 HE2 PHE 101 -23.003 2.134 10.878 792 HE2 PHE 101 HE1 PHE 101 -24.289 -1.641 9.370 793 HZ PHE 101 HZ PHE 101 -23.371 -0.279 11.204 794 H GLU 102 H GLU 102 -21.258 1.507 6.689 795 HA GLU 102 HA GLU 102 -20.665 3.955 8.039 796 HB2 GLU 102 1HB GLU 102 -20.083 1.402 8.573 797 HB3 GLU 102 2HB GLU 102 -18.597 1.834 7.739 798 HG2 GLU 102 1HG GLU 102 -19.713 3.302 10.120 799 HG3 GLU 102 2HG GLU 102 -18.465 2.060 10.195 800 H LYS 103 H LYS 103 -20.742 5.162 5.957 801 HA LYS 103 HA LYS 103 -18.095 5.856 5.139 802 HB2 LYS 103 1HB LYS 103 -18.876 5.581 2.621 803 HB3 LYS 103 2HB LYS 103 -18.082 4.268 3.473 804 HG2 LYS 103 1HG LYS 103 -19.875 3.281 2.343 805 HG3 LYS 103 2HG LYS 103 -20.404 3.407 4.019 806 HD2 LYS 103 1HD LYS 103 -22.247 4.078 2.700 807 HD3 LYS 103 2HD LYS 103 -21.552 5.564 3.358 808 HE2 LYS 103 1HE LYS 103 -20.390 5.964 1.252 809 HE3 LYS 103 2HE LYS 103 -21.033 4.458 0.597 810 HZ1 LYS 103 3HZ LYS 103 -22.324 6.311 -0.184 811 HZ2 LYS 103 1HZ LYS 103 -22.604 6.846 1.402 812 HZ3 LYS 103 2HZ LYS 103 -23.279 5.384 0.868 813 H LYS 104 H LYS 104 -18.347 7.645 3.305 814 HA LYS 104 HA LYS 104 -19.755 9.725 4.453 815 HB2 LYS 104 1HB LYS 104 -17.937 10.049 2.829 816 HB3 LYS 104 2HB LYS 104 -18.978 9.455 1.541 817 HG2 LYS 104 1HG LYS 104 -20.496 11.343 1.905 818 HG3 LYS 104 2HG LYS 104 -19.428 11.944 3.176 819 HD2 LYS 104 1HD LYS 104 -18.626 11.539 0.298 820 HD3 LYS 104 2HD LYS 104 -19.104 13.085 1.002 821 HE2 LYS 104 1HE LYS 104 -17.238 12.972 2.559 822 HE3 LYS 104 2HE LYS 104 -16.772 11.398 1.913 823 HZ1 LYS 104 3HZ LYS 104 -15.414 12.677 0.668 824 HZ2 LYS 104 1HZ LYS 104 -16.392 14.058 0.790 825 HZ3 LYS 104 2HZ LYS 104 -16.787 12.832 -0.312 826 H LYS 105 H LYS 105 -21.810 10.083 4.681 827 HA LYS 105 HA LYS 105 -24.056 10.157 4.388 828 HB2 LYS 105 1HB LYS 105 -23.514 9.349 1.523 829 HB3 LYS 105 2HB LYS 105 -25.061 9.890 2.160 830 HG2 LYS 105 1HG LYS 105 -24.110 12.079 2.645 831 HG3 LYS 105 2HG LYS 105 -22.541 11.540 2.040 832 HD2 LYS 105 1HD LYS 105 -23.605 12.788 0.303 833 HD3 LYS 105 2HD LYS 105 -23.640 11.084 -0.159 834 HE2 LYS 105 1HE LYS 105 -25.773 12.064 -0.650 835 HE3 LYS 105 2HE LYS 105 -25.956 10.946 0.700 836 HZ1 LYS 105 3HZ LYS 105 -25.434 13.755 1.324 837 HZ2 LYS 105 1HZ LYS 105 -26.385 12.617 2.152 838 HZ3 LYS 105 2HZ LYS 105 -26.975 13.358 0.744 839 H LYS 106 H LYS 106 -25.344 8.687 5.260 840 HA LYS 106 HA LYS 106 -24.634 5.905 5.174 841 HB2 LYS 106 1HB LYS 106 -25.594 7.112 7.178 842 HB3 LYS 106 2HB LYS 106 -27.147 7.090 6.352 843 HG2 LYS 106 1HG LYS 106 -27.141 4.668 6.338 844 HG3 LYS 106 2HG LYS 106 -25.538 4.646 7.070 845 HD2 LYS 106 1HD LYS 106 -27.835 6.022 8.419 846 HD3 LYS 106 2HD LYS 106 -27.600 4.281 8.578 847 HE2 LYS 106 1HE LYS 106 -26.566 5.322 10.453 848 HE3 LYS 106 2HE LYS 106 -25.283 4.750 9.392 849 HZ1 LYS 106 3HZ LYS 106 -26.231 7.527 9.150 850 HZ2 LYS 106 1HZ LYS 106 -24.702 6.876 8.802 851 HZ3 LYS 106 2HZ LYS 106 -25.174 7.114 10.412 852 H VAL 107 H VAL 107 -25.004 6.483 2.655 853 HA VAL 107 HA VAL 107 -27.644 5.406 1.923 854 HB VAL 107 HB VAL 107 -25.720 6.984 0.196 855 HG11 VAL 107 1HG1 VAL 107 -28.426 6.769 -0.786 856 HG12 VAL 107 2HG1 VAL 107 -26.903 6.382 -1.589 857 HG13 VAL 107 3HG1 VAL 107 -27.693 5.178 -0.571 858 HG21 VAL 107 3HG2 VAL 107 -26.865 8.317 1.959 859 HG22 VAL 107 1HG2 VAL 107 -27.274 8.805 0.315 860 HG23 VAL 107 2HG2 VAL 107 -28.410 7.839 1.255 Start of MODEL 20 1 H1 GLY -1 1H GLY -1 -19.810 -7.745 -10.751 2 H2 GLY -1 2H GLY -1 -19.534 -8.232 -9.149 3 H3 GLY -1 3H GLY -1 -20.396 -6.806 -9.469 4 HA2 GLY -1 1HA GLY -1 -21.829 -8.680 -8.793 5 HA3 GLY -1 2HA GLY -1 -22.228 -7.992 -10.362 6 H GLY 0 H GLY 0 -20.313 -9.102 -11.983 7 HA2 GLY 0 2HA GLY 0 -20.004 -11.906 -11.584 8 HA3 GLY 0 1HA GLY 0 -21.340 -11.565 -12.676 9 H SER 1 H SER 1 -18.368 -12.575 -12.796 10 HA SER 1 HA SER 1 -17.873 -11.593 -15.446 11 HB2 SER 1 1HB SER 1 -15.943 -10.853 -13.225 12 HB3 SER 1 2HB SER 1 -15.619 -10.664 -14.949 13 HG SER 1 HG SER 1 -17.988 -9.538 -14.259 14 H SER 2 H SER 2 -14.875 -12.284 -14.486 15 HA SER 2 HA SER 2 -14.972 -14.999 -15.384 16 HB2 SER 2 1HB SER 2 -12.683 -13.571 -14.008 17 HB3 SER 2 2HB SER 2 -12.581 -14.995 -15.046 18 HG SER 2 HG SER 2 -13.723 -13.383 -16.603 19 H ARG 3 H ARG 3 -14.572 -13.358 -12.301 20 HA ARG 3 HA ARG 3 -14.751 -14.006 -10.139 21 HB2 ARG 3 1HB ARG 3 -16.989 -14.789 -11.170 22 HB3 ARG 3 2HB ARG 3 -16.315 -16.408 -11.059 23 HG2 ARG 3 1HG ARG 3 -16.047 -16.133 -8.646 24 HG3 ARG 3 2HG ARG 3 -16.723 -14.506 -8.760 25 HD2 ARG 3 1HD ARG 3 -18.807 -15.481 -9.665 26 HD3 ARG 3 2HD ARG 3 -18.125 -17.090 -9.430 27 HE ARG 3 HE ARG 3 -18.003 -15.687 -6.995 28 HH11 ARG 3 2HH1 ARG 3 -20.398 -17.101 -9.154 29 HH12 ARG 3 1HH1 ARG 3 -21.535 -17.407 -7.870 30 HH21 ARG 3 2HH2 ARG 3 -19.513 -16.113 -5.326 31 HH22 ARG 3 1HH2 ARG 3 -21.042 -16.848 -5.722 32 H HIS 4 H HIS 4 -12.417 -14.783 -11.398 33 HA HIS 4 HA HIS 4 -11.893 -17.520 -10.493 34 HB2 HIS 4 1HB HIS 4 -11.055 -16.951 -12.716 35 HB3 HIS 4 2HB HIS 4 -10.164 -15.585 -12.053 36 HD1 HIS 4 HD1 HIS 4 -10.278 -19.348 -11.389 37 HD2 HIS 4 HD2 HIS 4 -7.566 -16.205 -11.712 38 HE1 HIS 4 HE1 HIS 4 -8.002 -20.366 -11.018 39 HE2 HIS 4 HE2 HIS 4 -6.368 -18.472 -11.351 40 H GLN 5 H GLN 5 -10.978 -14.178 -9.906 41 HA GLN 5 HA GLN 5 -9.794 -15.016 -7.367 42 HB2 GLN 5 1HB GLN 5 -8.042 -13.225 -7.733 43 HB3 GLN 5 2HB GLN 5 -7.870 -14.727 -8.622 44 HG2 GLN 5 1HG GLN 5 -9.149 -13.437 -10.484 45 HG3 GLN 5 2HG GLN 5 -8.560 -12.019 -9.610 46 HE21 GLN 5 1HE2 GLN 5 -6.575 -11.356 -10.011 47 HE22 GLN 5 2HE2 GLN 5 -5.368 -12.274 -10.830 48 H PHE 6 H PHE 6 -9.335 -13.044 -5.975 49 HA PHE 6 HA PHE 6 -11.782 -11.932 -5.298 50 HB2 PHE 6 1HB PHE 6 -9.190 -10.655 -4.474 51 HB3 PHE 6 2HB PHE 6 -10.680 -10.820 -3.552 52 HD1 PHE 6 HD2 PHE 6 -7.751 -12.619 -4.860 53 HD2 PHE 6 HD1 PHE 6 -11.077 -12.717 -2.209 54 HE1 PHE 6 HE2 PHE 6 -6.825 -14.635 -3.777 55 HE2 PHE 6 HE1 PHE 6 -10.160 -14.727 -1.116 56 HZ PHE 6 HZ PHE 6 -8.030 -15.688 -1.904 57 H ASP 7 H ASP 7 -9.416 -10.817 -7.491 58 HA ASP 7 HA ASP 7 -9.413 -9.072 -8.976 59 HB2 ASP 7 1HB ASP 7 -11.924 -8.354 -7.544 60 HB3 ASP 7 2HB ASP 7 -11.081 -7.096 -8.442 61 H LEU 8 H LEU 8 -7.428 -8.831 -7.964 62 HA LEU 8 HA LEU 8 -7.234 -6.488 -6.194 63 HB2 LEU 8 1HB LEU 8 -5.157 -8.632 -6.309 64 HB3 LEU 8 2HB LEU 8 -5.551 -7.537 -4.992 65 HG LEU 8 HG LEU 8 -7.856 -9.039 -5.383 66 HD11 LEU 8 1HD1 LEU 8 -6.221 -11.261 -4.853 67 HD12 LEU 8 2HD1 LEU 8 -7.312 -11.000 -6.217 68 HD13 LEU 8 3HD1 LEU 8 -5.620 -10.516 -6.335 69 HD21 LEU 8 3HD2 LEU 8 -6.915 -8.169 -3.302 70 HD22 LEU 8 1HD2 LEU 8 -7.408 -9.860 -3.189 71 HD23 LEU 8 2HD2 LEU 8 -5.700 -9.446 -3.343 72 H ILE 9 H ILE 9 -7.367 -5.725 -8.584 73 HA ILE 9 HA ILE 9 -5.095 -6.230 -10.226 74 HB ILE 9 HB ILE 9 -7.391 -4.294 -10.638 75 HG12 ILE 9 1HG1 ILE 9 -8.105 -5.973 -12.346 76 HG13 ILE 9 2HG1 ILE 9 -6.815 -7.036 -11.799 77 HG21 ILE 9 1HG2 ILE 9 -6.661 -3.943 -12.851 78 HG22 ILE 9 2HG2 ILE 9 -5.231 -3.728 -11.840 79 HG23 ILE 9 3HG2 ILE 9 -5.457 -5.228 -12.742 80 HD11 ILE 9 3HD1 ILE 9 -8.922 -7.729 -10.863 81 HD12 ILE 9 1HD1 ILE 9 -7.863 -7.131 -9.580 82 HD13 ILE 9 2HD1 ILE 9 -9.184 -6.119 -10.183 83 H MET 10 H MET 10 -3.809 -5.516 -8.340 84 HA MET 10 HA MET 10 -3.398 -2.648 -8.186 85 HB2 MET 10 1HB MET 10 -1.528 -3.444 -6.541 86 HB3 MET 10 2HB MET 10 -3.214 -3.471 -6.052 87 HG2 MET 10 1HG MET 10 -3.332 -5.849 -6.518 88 HG3 MET 10 2HG MET 10 -1.659 -5.834 -7.074 89 HE1 MET 10 3HE MET 10 -3.256 -5.122 -2.907 90 HE2 MET 10 1HE MET 10 -2.398 -3.704 -3.512 91 HE3 MET 10 2HE MET 10 -3.763 -4.362 -4.415 92 H CYS 11 H CYS 11 -1.512 -1.628 -8.616 93 HA CYS 11 HA CYS 11 -0.442 -1.931 -11.046 94 HB2 CYS 11 1HB CYS 11 -0.108 0.100 -9.975 95 HB3 CYS 11 2HB CYS 11 0.580 -0.650 -8.544 96 H LEU 12 H LEU 12 1.045 -3.198 -8.090 97 HA LEU 12 HA LEU 12 2.786 -4.567 -7.697 98 HB2 LEU 12 1HB LEU 12 0.758 -5.786 -9.283 99 HB3 LEU 12 2HB LEU 12 2.307 -6.547 -9.613 100 HG LEU 12 HG LEU 12 2.621 -7.068 -7.297 101 HD11 LEU 12 1HD1 LEU 12 1.006 -4.893 -6.795 102 HD12 LEU 12 2HD1 LEU 12 0.037 -6.276 -6.280 103 HD13 LEU 12 3HD1 LEU 12 1.647 -6.028 -5.605 104 HD21 LEU 12 3HD2 LEU 12 0.893 -8.652 -6.972 105 HD22 LEU 12 1HD2 LEU 12 -0.222 -7.724 -7.978 106 HD23 LEU 12 2HD2 LEU 12 1.171 -8.523 -8.709 107 H LYS 13 H LYS 13 3.756 -2.547 -9.406 108 HA LYS 13 HA LYS 13 5.586 -3.859 -11.239 109 HB2 LYS 13 1HB LYS 13 5.372 -1.051 -10.185 110 HB3 LYS 13 2HB LYS 13 6.696 -1.580 -11.208 111 HG2 LYS 13 1HG LYS 13 4.949 -2.271 -12.881 112 HG3 LYS 13 2HG LYS 13 3.797 -1.368 -11.894 113 HD2 LYS 13 1HD LYS 13 5.302 0.598 -12.065 114 HD3 LYS 13 2HD LYS 13 6.259 -0.317 -13.237 115 HE2 LYS 13 1HE LYS 13 3.342 0.317 -13.466 116 HE3 LYS 13 2HE LYS 13 4.641 1.147 -14.285 117 HZ1 LYS 13 3HZ LYS 13 4.911 -1.590 -14.781 118 HZ2 LYS 13 1HZ LYS 13 4.589 -0.356 -15.895 119 HZ3 LYS 13 2HZ LYS 13 3.309 -1.154 -15.121 120 H GLN 14 H GLN 14 7.905 -2.505 -10.629 121 HA GLN 14 HA GLN 14 8.821 -3.942 -8.261 122 HB2 GLN 14 1HB GLN 14 10.203 -4.027 -10.281 123 HB3 GLN 14 2HB GLN 14 10.309 -2.273 -10.298 124 HG2 GLN 14 1HG GLN 14 12.338 -3.260 -9.440 125 HG3 GLN 14 2HG GLN 14 11.520 -2.312 -8.201 126 HE21 GLN 14 1HE2 GLN 14 11.670 -3.225 -6.296 127 HE22 GLN 14 2HE2 GLN 14 11.616 -4.920 -5.960 128 HA PRO 15 HA PRO 15 7.839 -0.148 -6.089 129 HB2 PRO 15 1HB PRO 15 8.376 -1.087 -3.589 130 HB3 PRO 15 2HB PRO 15 6.865 -1.394 -4.451 131 HG2 PRO 15 1HG PRO 15 9.245 -3.166 -4.111 132 HG3 PRO 15 2HG PRO 15 7.522 -3.580 -4.079 133 HD2 PRO 15 1HD PRO 15 9.112 -4.028 -6.233 134 HD3 PRO 15 2HD PRO 15 7.376 -3.678 -6.369 135 H GLY 16 H GLY 16 8.970 1.549 -5.305 136 HA2 GLY 16 2HA GLY 16 11.863 1.405 -5.432 137 HA3 GLY 16 1HA GLY 16 10.892 2.855 -5.214 138 H VAL 17 H VAL 17 10.559 3.638 -3.206 139 HA VAL 17 HA VAL 17 11.256 1.990 -0.902 140 HB VAL 17 HB VAL 17 13.366 3.053 -1.528 141 HG11 VAL 17 1HG1 VAL 17 11.705 5.522 -1.533 142 HG12 VAL 17 2HG1 VAL 17 13.400 5.639 -1.057 143 HG13 VAL 17 3HG1 VAL 17 12.971 5.008 -2.647 144 HG21 VAL 17 3HG2 VAL 17 12.007 3.667 1.019 145 HG22 VAL 17 1HG2 VAL 17 13.508 2.792 0.711 146 HG23 VAL 17 2HG2 VAL 17 13.494 4.556 0.690 147 H GLN 18 H GLN 18 9.809 4.903 -2.224 148 HA GLN 18 HA GLN 18 8.935 6.115 0.121 149 HB2 GLN 18 1HB GLN 18 7.595 6.113 -2.592 150 HB3 GLN 18 2HB GLN 18 7.210 7.213 -1.275 151 HG2 GLN 18 1HG GLN 18 9.594 7.970 -1.333 152 HG3 GLN 18 2HG GLN 18 9.786 7.021 -2.806 153 HE21 GLN 18 1HE2 GLN 18 9.521 8.092 -4.622 154 HE22 GLN 18 2HE2 GLN 18 8.573 9.534 -4.821 155 H THR 19 H THR 19 7.352 5.790 1.527 156 HA THR 19 HA THR 19 5.960 3.271 1.424 157 HB THR 19 HB THR 19 5.658 5.393 3.545 158 HG1 THR 19 HG1 THR 19 7.924 4.323 2.805 159 HG21 THR 19 1HG2 THR 19 5.691 3.013 4.812 160 HG22 THR 19 2HG2 THR 19 4.994 2.530 3.265 161 HG23 THR 19 3HG2 THR 19 4.219 3.787 4.228 162 H GLY 20 H GLY 20 3.810 2.892 1.198 163 HA2 GLY 20 2HA GLY 20 2.230 4.926 -0.102 164 HA3 GLY 20 1HA GLY 20 1.745 3.267 0.212 165 H LEU 21 H LEU 21 0.636 6.140 0.697 166 HA LEU 21 HA LEU 21 0.135 5.993 3.565 167 HB2 LEU 21 1HB LEU 21 -0.537 8.121 1.538 168 HB3 LEU 21 2HB LEU 21 -0.870 8.234 3.254 169 HG LEU 21 HG LEU 21 1.872 8.056 2.004 170 HD11 LEU 21 1HD1 LEU 21 0.554 10.358 3.424 171 HD12 LEU 21 2HD1 LEU 21 2.125 10.350 2.625 172 HD13 LEU 21 3HD1 LEU 21 0.649 10.201 1.670 173 HD21 LEU 21 3HD2 LEU 21 0.982 8.307 4.873 174 HD22 LEU 21 1HD2 LEU 21 1.905 6.990 4.148 175 HD23 LEU 21 2HD2 LEU 21 2.632 8.587 4.315 176 H LEU 22 H LEU 22 -1.935 6.049 4.468 177 HA LEU 22 HA LEU 22 -4.149 5.229 2.696 178 HB2 LEU 22 1HB LEU 22 -3.644 4.469 5.577 179 HB3 LEU 22 2HB LEU 22 -5.093 4.066 4.678 180 HG LEU 22 HG LEU 22 -2.316 3.100 4.066 181 HD11 LEU 22 1HD1 LEU 22 -4.680 1.521 5.049 182 HD12 LEU 22 2HD1 LEU 22 -3.003 0.991 4.908 183 HD13 LEU 22 3HD1 LEU 22 -3.451 2.186 6.127 184 HD21 LEU 22 3HD2 LEU 22 -4.383 1.608 2.806 185 HD22 LEU 22 1HD2 LEU 22 -4.595 3.315 2.417 186 HD23 LEU 22 2HD2 LEU 22 -3.063 2.517 2.064 187 H CYS 23 H CYS 23 -6.093 6.216 2.989 188 HA CYS 23 HA CYS 23 -6.193 8.617 4.608 189 HB2 CYS 23 1HB CYS 23 -8.209 9.132 3.528 190 HB3 CYS 23 2HB CYS 23 -7.294 8.303 2.275 191 H GLU 24 H GLU 24 -7.811 8.873 6.278 192 HA GLU 24 HA GLU 24 -7.734 6.894 8.185 193 HB2 GLU 24 1HB GLU 24 -9.812 9.061 7.884 194 HB3 GLU 24 2HB GLU 24 -9.490 8.154 9.356 195 HG2 GLU 24 1HG GLU 24 -7.224 9.057 9.419 196 HG3 GLU 24 2HG GLU 24 -7.549 9.966 7.943 197 H LYS 25 H LYS 25 -10.094 7.358 5.647 198 HA LYS 25 HA LYS 25 -12.153 5.734 6.645 199 HB2 LYS 25 1HB LYS 25 -11.438 6.226 3.751 200 HB3 LYS 25 2HB LYS 25 -12.993 5.682 4.361 201 HG2 LYS 25 1HG LYS 25 -11.723 8.352 4.923 202 HG3 LYS 25 2HG LYS 25 -13.027 8.044 3.776 203 HD2 LYS 25 1HD LYS 25 -14.358 7.146 5.727 204 HD3 LYS 25 2HD LYS 25 -13.098 7.802 6.773 205 HE2 LYS 25 1HE LYS 25 -14.931 9.372 6.603 206 HE3 LYS 25 2HE LYS 25 -13.496 10.031 5.813 207 HZ1 LYS 25 3HZ LYS 25 -15.860 10.065 4.671 208 HZ2 LYS 25 1HZ LYS 25 -15.370 8.526 4.153 209 HZ3 LYS 25 2HZ LYS 25 -14.437 9.889 3.771 210 H CYS 26 H CYS 26 -9.377 4.892 4.571 211 HA CYS 26 HA CYS 26 -10.265 2.119 4.458 212 HB2 CYS 26 1HB CYS 26 -7.771 3.338 3.258 213 HB3 CYS 26 2HB CYS 26 -8.456 1.759 2.891 214 H ASP 27 H ASP 27 -8.265 4.126 6.315 215 HA ASP 27 HA ASP 27 -6.121 2.537 6.979 216 HB2 ASP 27 1HB ASP 27 -6.234 4.819 7.758 217 HB3 ASP 27 2HB ASP 27 -7.644 4.456 8.748 218 H GLY 28 H GLY 28 -6.183 0.533 7.483 219 HA2 GLY 28 2HA GLY 28 -6.750 -0.779 9.700 220 HA3 GLY 28 1HA GLY 28 -8.377 -0.554 9.064 221 H LYS 29 H LYS 29 -7.602 -0.725 6.304 222 HA LYS 29 HA LYS 29 -7.542 -3.623 6.112 223 HB2 LYS 29 1HB LYS 29 -7.839 -1.534 3.947 224 HB3 LYS 29 2HB LYS 29 -8.086 -3.258 3.756 225 HG2 LYS 29 1HG LYS 29 -9.999 -3.214 5.176 226 HG3 LYS 29 2HG LYS 29 -9.719 -1.510 5.554 227 HD2 LYS 29 1HD LYS 29 -10.110 -0.889 3.261 228 HD3 LYS 29 2HD LYS 29 -10.242 -2.585 2.786 229 HE2 LYS 29 1HE LYS 29 -12.024 -1.427 4.869 230 HE3 LYS 29 2HE LYS 29 -12.394 -1.205 3.162 231 HZ1 LYS 29 3HZ LYS 29 -11.793 -3.918 3.663 232 HZ2 LYS 29 1HZ LYS 29 -13.241 -3.239 3.102 233 HZ3 LYS 29 2HZ LYS 29 -12.977 -3.398 4.767 234 H CYS 30 H CYS 30 -5.820 -4.778 5.577 235 HA CYS 30 HA CYS 30 -3.321 -3.611 4.733 236 HB2 CYS 30 1HB CYS 30 -3.097 -5.625 5.944 237 HB3 CYS 30 2HB CYS 30 -4.391 -6.409 5.049 238 HA PRO 31 HA PRO 31 -4.863 -2.740 0.678 239 HB2 PRO 31 1HB PRO 31 -1.953 -2.976 0.023 240 HB3 PRO 31 2HB PRO 31 -3.107 -1.716 -0.430 241 HG2 PRO 31 1HG PRO 31 -1.375 -1.307 1.543 242 HG3 PRO 31 2HG PRO 31 -3.044 -0.718 1.666 243 HD2 PRO 31 1HD PRO 31 -1.737 -3.010 3.038 244 HD3 PRO 31 2HD PRO 31 -3.063 -1.968 3.588 245 H ILE 32 H ILE 32 -2.406 -5.273 0.972 246 HA ILE 32 HA ILE 32 -2.712 -6.361 -1.573 247 HB ILE 32 HB ILE 32 -1.828 -7.793 0.931 248 HG12 ILE 32 1HG1 ILE 32 -0.607 -5.635 0.249 249 HG13 ILE 32 2HG1 ILE 32 0.371 -7.078 0.492 250 HG21 ILE 32 1HG2 ILE 32 -0.501 -8.709 -1.397 251 HG22 ILE 32 2HG2 ILE 32 -1.591 -9.599 -0.333 252 HG23 ILE 32 3HG2 ILE 32 -2.234 -8.722 -1.722 253 HD11 ILE 32 3HD1 ILE 32 0.965 -7.207 -1.675 254 HD12 ILE 32 1HD1 ILE 32 -0.581 -6.584 -2.256 255 HD13 ILE 32 2HD1 ILE 32 0.635 -5.474 -1.617 256 H CYS 33 H CYS 33 -4.368 -7.224 1.446 257 HA CYS 33 HA CYS 33 -5.916 -9.202 -0.085 258 HB2 CYS 33 1HB CYS 33 -6.087 -10.496 1.984 259 HB3 CYS 33 2HB CYS 33 -4.404 -10.198 1.557 260 H ASP 34 H ASP 34 -6.141 -6.413 1.874 261 HA ASP 34 HA ASP 34 -7.864 -5.150 2.631 262 HB2 ASP 34 1HB ASP 34 -8.885 -5.775 0.356 263 HB3 ASP 34 2HB ASP 34 -9.825 -6.971 1.243 264 H SER 35 H SER 35 -7.175 -6.080 4.645 265 HA SER 35 HA SER 35 -9.321 -7.312 6.104 266 HB2 SER 35 1HB SER 35 -8.259 -9.282 5.043 267 HB3 SER 35 2HB SER 35 -6.713 -8.819 5.748 268 HG SER 35 HG SER 35 -8.988 -9.237 7.371 269 H TYR 36 H TYR 36 -9.063 -7.105 8.341 270 HA TYR 36 HA TYR 36 -7.103 -5.093 9.110 271 HB2 TYR 36 1HB TYR 36 -9.504 -6.239 10.548 272 HB3 TYR 36 2HB TYR 36 -8.429 -5.041 11.255 273 HD1 TYR 36 HD2 TYR 36 -10.204 -5.445 7.973 274 HD2 TYR 36 HD1 TYR 36 -9.313 -2.927 11.285 275 HE1 TYR 36 HE2 TYR 36 -11.545 -3.651 6.963 276 HE2 TYR 36 HE1 TYR 36 -10.654 -1.127 10.283 277 HH TYR 36 HH TYR 36 -11.724 -0.431 8.433 278 H VAL 37 H VAL 37 -6.435 -7.975 8.669 279 HA VAL 37 HA VAL 37 -5.729 -9.112 11.193 280 HB VAL 37 HB VAL 37 -6.008 -10.621 9.374 281 HG11 VAL 37 1HG1 VAL 37 -5.719 -9.300 7.472 282 HG12 VAL 37 2HG1 VAL 37 -4.074 -8.852 7.929 283 HG13 VAL 37 3HG1 VAL 37 -4.425 -10.495 7.393 284 HG21 VAL 37 3HG2 VAL 37 -4.191 -11.969 9.654 285 HG22 VAL 37 1HG2 VAL 37 -3.041 -10.650 9.434 286 HG23 VAL 37 2HG2 VAL 37 -3.899 -10.825 10.965 287 H ARG 38 H ARG 38 -3.687 -9.237 12.134 288 HA ARG 38 HA ARG 38 -2.421 -6.987 12.710 289 HB2 ARG 38 1HB ARG 38 -0.819 -9.517 12.399 290 HB3 ARG 38 2HB ARG 38 -0.553 -8.209 13.538 291 HG2 ARG 38 1HG ARG 38 -2.618 -8.786 14.695 292 HG3 ARG 38 2HG ARG 38 -2.895 -10.093 13.540 293 HD2 ARG 38 1HD ARG 38 -0.640 -11.006 14.241 294 HD3 ARG 38 2HD ARG 38 -0.679 -9.842 15.564 295 HE ARG 38 HE ARG 38 -2.093 -12.314 15.396 296 HH11 ARG 38 2HH1 ARG 38 -2.176 -9.103 16.796 297 HH12 ARG 38 1HH1 ARG 38 -3.340 -9.529 18.019 298 HH21 ARG 38 2HH2 ARG 38 -3.610 -12.885 17.003 299 HH22 ARG 38 1HH2 ARG 38 -4.181 -11.675 18.119 300 HA PRO 39 HA PRO 39 -0.118 -5.864 8.979 301 HB2 PRO 39 1HB PRO 39 0.210 -3.285 9.644 302 HB3 PRO 39 2HB PRO 39 -1.322 -3.897 9.014 303 HG2 PRO 39 1HG PRO 39 -0.553 -3.210 11.806 304 HG3 PRO 39 2HG PRO 39 -2.113 -3.019 10.989 305 HD2 PRO 39 1HD PRO 39 -1.431 -5.079 12.740 306 HD3 PRO 39 2HD PRO 39 -2.792 -5.094 11.605 307 H LYS 40 H LYS 40 2.098 -5.561 8.620 308 HA LYS 40 HA LYS 40 3.781 -5.298 11.016 309 HB2 LYS 40 1HB LYS 40 3.839 -7.527 8.995 310 HB3 LYS 40 2HB LYS 40 5.187 -7.199 10.069 311 HG2 LYS 40 1HG LYS 40 3.514 -7.420 11.973 312 HG3 LYS 40 2HG LYS 40 2.422 -8.111 10.771 313 HD2 LYS 40 1HD LYS 40 4.053 -9.848 10.270 314 HD3 LYS 40 2HD LYS 40 5.178 -9.142 11.432 315 HE2 LYS 40 1HE LYS 40 2.480 -10.346 12.030 316 HE3 LYS 40 2HE LYS 40 4.053 -11.033 12.428 317 HZ1 LYS 40 3HZ LYS 40 4.440 -9.032 13.829 318 HZ2 LYS 40 1HZ LYS 40 3.176 -10.024 14.371 319 HZ3 LYS 40 2HZ LYS 40 2.829 -8.575 13.559 320 H ARG 41 H ARG 41 4.005 -5.574 7.439 321 HA ARG 41 HA ARG 41 6.489 -4.027 7.581 322 HB2 ARG 41 1HB ARG 41 5.274 -5.705 5.393 323 HB3 ARG 41 2HB ARG 41 6.713 -4.721 5.162 324 HG2 ARG 41 1HG ARG 41 7.876 -5.984 6.875 325 HG3 ARG 41 2HG ARG 41 6.424 -6.949 7.161 326 HD2 ARG 41 1HD ARG 41 6.509 -7.740 4.845 327 HD3 ARG 41 2HD ARG 41 7.976 -6.797 4.582 328 HE ARG 41 HE ARG 41 8.500 -8.417 6.748 329 HH11 ARG 41 2HH1 ARG 41 7.649 -8.842 3.371 330 HH12 ARG 41 1HH1 ARG 41 8.364 -10.425 3.271 331 HH21 ARG 41 2HH2 ARG 41 9.531 -10.444 6.574 332 HH22 ARG 41 1HH2 ARG 41 9.473 -11.308 5.063 333 H LYS 42 H LYS 42 6.812 -2.081 6.637 334 HA LYS 42 HA LYS 42 4.584 -0.452 5.920 335 HB2 LYS 42 1HB LYS 42 7.560 -0.093 5.654 336 HB3 LYS 42 2HB LYS 42 6.425 1.100 5.037 337 HG2 LYS 42 1HG LYS 42 5.468 1.232 7.357 338 HG3 LYS 42 2HG LYS 42 6.835 0.249 7.888 339 HD2 LYS 42 1HD LYS 42 8.394 1.916 7.195 340 HD3 LYS 42 2HD LYS 42 7.128 2.848 6.393 341 HE2 LYS 42 1HE LYS 42 6.051 3.186 8.605 342 HE3 LYS 42 2HE LYS 42 7.420 2.365 9.357 343 HZ1 LYS 42 3HZ LYS 42 7.543 4.837 9.361 344 HZ2 LYS 42 1HZ LYS 42 7.693 4.796 7.671 345 HZ3 LYS 42 2HZ LYS 42 8.879 4.077 8.654 346 H VAL 43 H VAL 43 3.661 -0.063 4.074 347 HA VAL 43 HA VAL 43 4.194 -1.721 1.820 348 HB VAL 43 HB VAL 43 2.235 0.477 2.413 349 HG11 VAL 43 1HG1 VAL 43 1.239 0.235 0.263 350 HG12 VAL 43 2HG1 VAL 43 2.940 0.645 0.045 351 HG13 VAL 43 3HG1 VAL 43 2.398 -1.017 -0.185 352 HG21 VAL 43 3HG2 VAL 43 0.629 -1.411 1.988 353 HG22 VAL 43 1HG2 VAL 43 2.028 -2.482 1.899 354 HG23 VAL 43 2HG2 VAL 43 1.675 -1.614 3.393 355 H ARG 44 H ARG 44 5.491 -1.334 0.137 356 HA ARG 44 HA ARG 44 6.645 1.349 -0.157 357 HB2 ARG 44 1HB ARG 44 7.498 -1.327 -1.271 358 HB3 ARG 44 2HB ARG 44 8.226 0.192 -1.763 359 HG2 ARG 44 1HG ARG 44 9.689 -0.606 -0.163 360 HG3 ARG 44 2HG ARG 44 8.697 0.538 0.742 361 HD2 ARG 44 1HD ARG 44 8.969 -1.452 2.053 362 HD3 ARG 44 2HD ARG 44 7.295 -1.361 1.505 363 HE ARG 44 HE ARG 44 8.780 -2.894 -0.330 364 HH11 ARG 44 2HH1 ARG 44 7.522 -3.068 2.930 365 HH12 ARG 44 1HH1 ARG 44 7.475 -4.802 2.948 366 HH21 ARG 44 2HH2 ARG 44 8.694 -5.169 -0.316 367 HH22 ARG 44 1HH2 ARG 44 8.114 -6.002 1.104 368 H VAL 45 H VAL 45 6.355 2.588 -1.936 369 HA VAL 45 HA VAL 45 4.428 1.644 -3.932 370 HB VAL 45 HB VAL 45 4.044 3.847 -4.586 371 HG11 VAL 45 1HG1 VAL 45 3.381 3.347 -2.188 372 HG12 VAL 45 2HG1 VAL 45 4.746 4.357 -1.710 373 HG13 VAL 45 3HG1 VAL 45 3.432 5.044 -2.665 374 HG21 VAL 45 3HG2 VAL 45 6.184 5.230 -3.120 375 HG22 VAL 45 1HG2 VAL 45 6.726 4.232 -4.468 376 HG23 VAL 45 2HG2 VAL 45 5.544 5.513 -4.739 377 H CYS 46 H CYS 46 4.951 1.721 -6.179 378 HA CYS 46 HA CYS 46 7.799 1.457 -6.750 379 HB2 CYS 46 1HB CYS 46 7.239 0.574 -8.818 380 HB3 CYS 46 2HB CYS 46 5.857 0.057 -7.864 381 H GLU 47 H GLU 47 8.903 2.970 -8.042 382 HA GLU 47 HA GLU 47 8.307 5.605 -7.443 383 HB2 GLU 47 1HB GLU 47 10.509 4.443 -8.297 384 HB3 GLU 47 2HB GLU 47 9.955 5.013 -9.865 385 HG2 GLU 47 1HG GLU 47 11.405 6.670 -9.058 386 HG3 GLU 47 2HG GLU 47 9.779 7.310 -8.827 387 H ASN 48 H ASN 48 7.156 3.686 -10.085 388 HA ASN 48 HA ASN 48 6.365 5.800 -11.810 389 HB2 ASN 48 1HB ASN 48 5.613 2.908 -11.558 390 HB3 ASN 48 2HB ASN 48 4.688 3.968 -12.617 391 HD21 ASN 48 1HD2 ASN 48 7.234 1.872 -12.513 392 HD22 ASN 48 2HD2 ASN 48 8.089 2.412 -13.919 393 H CYS 49 H CYS 49 5.124 4.624 -8.838 394 HA CYS 49 HA CYS 49 2.625 6.143 -9.236 395 HB2 CYS 49 1HB CYS 49 3.212 3.959 -7.235 396 HB3 CYS 49 2HB CYS 49 1.708 4.866 -7.327 397 H SER 50 H SER 50 5.098 7.413 -8.642 398 HA SER 50 HA SER 50 4.369 8.617 -6.093 399 HB2 SER 50 1HB SER 50 6.682 8.463 -5.236 400 HB3 SER 50 2HB SER 50 5.979 6.868 -5.500 401 HG SER 50 HG SER 50 8.176 7.159 -6.315 402 H PHE 51 H PHE 51 6.739 8.724 -8.774 403 HA PHE 51 HA PHE 51 7.246 11.497 -8.277 404 HB2 PHE 51 1HB PHE 51 8.704 11.374 -10.296 405 HB3 PHE 51 2HB PHE 51 9.086 10.197 -9.053 406 HD1 PHE 51 HD1 PHE 51 6.276 9.742 -11.414 407 HD2 PHE 51 HD2 PHE 51 10.313 8.765 -10.489 408 HE1 PHE 51 HE1 PHE 51 6.231 7.965 -13.109 409 HE2 PHE 51 HE2 PHE 51 10.272 6.983 -12.184 410 HZ PHE 51 HZ PHE 51 8.229 6.582 -13.496 411 H GLY 52 H GLY 52 4.516 11.199 -8.821 412 HA2 GLY 52 2HA GLY 52 4.104 13.329 -10.551 413 HA3 GLY 52 1HA GLY 52 3.878 11.872 -11.507 414 H LYS 53 H LYS 53 2.614 10.174 -9.873 415 HA LYS 53 HA LYS 53 0.269 11.631 -8.876 416 HB2 LYS 53 1HB LYS 53 -1.170 9.803 -9.882 417 HB3 LYS 53 2HB LYS 53 -0.472 10.946 -11.016 418 HG2 LYS 53 1HG LYS 53 -0.232 8.872 -12.051 419 HG3 LYS 53 2HG LYS 53 1.364 9.201 -11.375 420 HD2 LYS 53 1HD LYS 53 0.855 7.765 -9.464 421 HD3 LYS 53 2HD LYS 53 -0.752 7.453 -10.121 422 HE2 LYS 53 1HE LYS 53 1.823 6.767 -11.527 423 HE3 LYS 53 2HE LYS 53 0.892 5.635 -10.549 424 HZ1 LYS 53 3HZ LYS 53 0.404 6.602 -13.228 425 HZ2 LYS 53 1HZ LYS 53 -0.972 6.577 -12.236 426 HZ3 LYS 53 2HZ LYS 53 -0.085 5.158 -12.484 427 H GLN 54 H GLN 54 -1.157 10.225 -7.536 428 HA GLN 54 HA GLN 54 -1.470 8.983 -5.672 429 HB2 GLN 54 1HB GLN 54 0.774 7.216 -6.677 430 HB3 GLN 54 2HB GLN 54 -0.457 6.789 -5.494 431 HG2 GLN 54 1HG GLN 54 -1.035 7.465 -8.364 432 HG3 GLN 54 2HG GLN 54 -0.835 5.829 -7.738 433 HE21 GLN 54 1HE2 GLN 54 -3.073 8.010 -8.625 434 HE22 GLN 54 2HE2 GLN 54 -4.396 7.505 -7.628 435 H ALA 55 H ALA 55 1.015 7.476 -4.538 436 HA ALA 55 HA ALA 55 2.627 7.764 -2.996 437 HB1 ALA 55 3HB ALA 55 4.236 9.028 -3.831 438 HB2 ALA 55 1HB ALA 55 3.075 9.850 -4.873 439 HB3 ALA 55 2HB ALA 55 3.401 10.470 -3.256 440 H LYS 56 H LYS 56 0.890 10.873 -3.163 441 HA LYS 56 HA LYS 56 0.919 11.082 -0.272 442 HB2 LYS 56 1HB LYS 56 -0.427 12.865 -2.306 443 HB3 LYS 56 2HB LYS 56 -0.198 13.226 -0.602 444 HG2 LYS 56 1HG LYS 56 2.225 13.228 -0.927 445 HG3 LYS 56 2HG LYS 56 1.992 12.875 -2.640 446 HD2 LYS 56 1HD LYS 56 0.808 15.301 -1.308 447 HD3 LYS 56 2HD LYS 56 2.423 15.303 -2.015 448 HE2 LYS 56 1HE LYS 56 1.030 16.162 -3.691 449 HE3 LYS 56 2HE LYS 56 1.320 14.488 -4.155 450 HZ1 LYS 56 3HZ LYS 56 -1.084 15.267 -2.614 451 HZ2 LYS 56 1HZ LYS 56 -0.829 13.871 -3.546 452 HZ3 LYS 56 2HZ LYS 56 -1.045 15.370 -4.306 453 H ASN 57 H ASN 57 -1.525 10.722 -2.834 454 HA ASN 57 HA ASN 57 -3.667 10.628 -1.005 455 HB2 ASN 57 1HB ASN 57 -5.073 9.827 -2.851 456 HB3 ASN 57 2HB ASN 57 -4.139 11.232 -3.302 457 HD21 ASN 57 1HD2 ASN 57 -2.972 7.889 -3.232 458 HD22 ASN 57 2HD2 ASN 57 -2.750 7.755 -4.941 459 H CYS 58 H CYS 58 -4.954 8.950 -0.375 460 HA CYS 58 HA CYS 58 -3.684 6.751 0.713 461 HB2 CYS 58 1HB CYS 58 -5.733 7.520 1.593 462 HB3 CYS 58 2HB CYS 58 -6.543 7.365 0.042 463 H ILE 59 H ILE 59 -2.953 4.970 -0.118 464 HA ILE 59 HA ILE 59 -3.038 4.489 -2.866 465 HB ILE 59 HB ILE 59 -1.732 2.479 -2.391 466 HG12 ILE 59 1HG1 ILE 59 -2.335 3.109 0.514 467 HG13 ILE 59 2HG1 ILE 59 -2.921 1.709 -0.378 468 HG21 ILE 59 1HG2 ILE 59 -0.961 4.995 -2.142 469 HG22 ILE 59 2HG2 ILE 59 -0.675 4.492 -0.476 470 HG23 ILE 59 3HG2 ILE 59 0.135 3.655 -1.802 471 HD11 ILE 59 3HD1 ILE 59 -1.173 0.700 0.605 472 HD12 ILE 59 1HD1 ILE 59 -0.266 1.413 -0.729 473 HD13 ILE 59 2HD1 ILE 59 -0.293 2.217 0.858 474 H ILE 60 H ILE 60 -5.110 3.330 -0.356 475 HA ILE 60 HA ILE 60 -5.992 1.010 -1.783 476 HB ILE 60 HB ILE 60 -7.036 2.357 0.698 477 HG12 ILE 60 1HG1 ILE 60 -5.592 -0.246 0.166 478 HG13 ILE 60 2HG1 ILE 60 -4.932 1.176 0.965 479 HG21 ILE 60 1HG2 ILE 60 -8.196 -0.100 0.708 480 HG22 ILE 60 2HG2 ILE 60 -9.008 1.392 0.228 481 HG23 ILE 60 3HG2 ILE 60 -8.310 0.334 -0.998 482 HD11 ILE 60 3HD1 ILE 60 -6.054 0.767 2.917 483 HD12 ILE 60 1HD1 ILE 60 -7.340 -0.136 2.117 484 HD13 ILE 60 2HD1 ILE 60 -5.756 -0.877 2.350 485 H CYS 61 H CYS 61 -7.533 4.206 -1.123 486 HA CYS 61 HA CYS 61 -9.563 3.445 -3.078 487 HB2 CYS 61 1HB CYS 61 -10.787 5.497 -2.403 488 HB3 CYS 61 2HB CYS 61 -10.553 4.347 -1.089 489 H ASN 62 H ASN 62 -6.644 5.028 -2.981 490 HA ASN 62 HA ASN 62 -5.538 6.492 -4.304 491 HB2 ASN 62 1HB ASN 62 -5.762 6.033 -6.758 492 HB3 ASN 62 2HB ASN 62 -5.421 4.621 -5.768 493 HD21 ASN 62 1HD2 ASN 62 -7.621 6.145 -7.916 494 HD22 ASN 62 2HD2 ASN 62 -8.751 4.843 -8.039 495 H LEU 63 H LEU 63 -7.515 7.841 -3.158 496 HA LEU 63 HA LEU 63 -8.164 9.833 -5.165 497 HB2 LEU 63 1HB LEU 63 -9.994 7.843 -4.554 498 HB3 LEU 63 2HB LEU 63 -10.503 9.178 -3.542 499 HG LEU 63 HG LEU 63 -11.760 9.379 -5.517 500 HD11 LEU 63 1HD1 LEU 63 -10.666 11.395 -6.691 501 HD12 LEU 63 2HD1 LEU 63 -11.092 11.536 -4.985 502 HD13 LEU 63 3HD1 LEU 63 -9.417 11.239 -5.454 503 HD21 LEU 63 3HD2 LEU 63 -9.236 9.127 -7.134 504 HD22 LEU 63 1HD2 LEU 63 -10.337 7.789 -6.799 505 HD23 LEU 63 2HD2 LEU 63 -10.897 9.182 -7.728 506 H ASN 64 H ASN 64 -9.128 8.880 -1.890 507 HA ASN 64 HA ASN 64 -9.090 11.536 -0.872 508 HB2 ASN 64 1HB ASN 64 -9.201 8.829 0.458 509 HB3 ASN 64 2HB ASN 64 -9.235 10.337 1.364 510 HD21 ASN 64 1HD2 ASN 64 -11.114 7.987 0.155 511 HD22 ASN 64 2HD2 ASN 64 -12.589 8.854 -0.081 512 H VAL 65 H VAL 65 -7.566 12.583 0.347 513 HA VAL 65 HA VAL 65 -4.859 12.004 -0.135 514 HB VAL 65 HB VAL 65 -5.967 13.745 2.076 515 HG11 VAL 65 1HG1 VAL 65 -3.316 13.849 0.634 516 HG12 VAL 65 2HG1 VAL 65 -3.858 14.941 1.910 517 HG13 VAL 65 3HG1 VAL 65 -3.569 13.239 2.268 518 HG21 VAL 65 3HG2 VAL 65 -6.953 14.430 -0.009 519 HG22 VAL 65 1HG2 VAL 65 -5.714 15.597 0.449 520 HG23 VAL 65 2HG2 VAL 65 -5.379 14.403 -0.806 521 H GLY 66 H GLY 66 -3.365 10.843 0.956 522 HA2 GLY 66 2HA GLY 66 -4.313 9.021 2.974 523 HA3 GLY 66 1HA GLY 66 -2.708 9.058 2.266 524 H VAL 67 H VAL 67 -2.674 8.531 4.792 525 HA VAL 67 HA VAL 67 -1.368 10.798 5.965 526 HB VAL 67 HB VAL 67 -3.575 11.416 6.626 527 HG11 VAL 67 1HG1 VAL 67 -4.076 8.841 8.041 528 HG12 VAL 67 2HG1 VAL 67 -5.223 10.083 7.536 529 HG13 VAL 67 3HG1 VAL 67 -4.482 9.024 6.335 530 HG21 VAL 67 3HG2 VAL 67 -3.339 11.573 8.966 531 HG22 VAL 67 1HG2 VAL 67 -2.425 10.066 9.041 532 HG23 VAL 67 2HG2 VAL 67 -1.700 11.501 8.313 533 H ASN 68 H ASN 68 -2.850 7.670 6.735 534 HA ASN 68 HA ASN 68 -0.545 7.018 8.418 535 HB2 ASN 68 1HB ASN 68 -3.148 5.528 8.013 536 HB3 ASN 68 2HB ASN 68 -1.898 5.109 9.181 537 HD21 ASN 68 1HD2 ASN 68 -4.813 6.418 8.964 538 HD22 ASN 68 2HD2 ASN 68 -4.765 7.542 10.282 539 H ASP 69 H ASP 69 1.073 5.841 7.655 540 HA ASP 69 HA ASP 69 1.212 4.800 5.048 541 HB2 ASP 69 1HB ASP 69 2.806 3.872 7.461 542 HB3 ASP 69 2HB ASP 69 3.270 3.714 5.775 543 H ALA 70 H ALA 70 0.708 2.938 4.160 544 HA ALA 70 HA ALA 70 -0.972 1.086 5.554 545 HB1 ALA 70 3HB ALA 70 -1.560 0.397 3.514 546 HB2 ALA 70 1HB ALA 70 -0.629 1.775 2.926 547 HB3 ALA 70 2HB ALA 70 0.116 0.174 3.012 548 H PHE 71 H PHE 71 -0.518 -0.983 6.198 549 HA PHE 71 HA PHE 71 2.285 -1.841 5.990 550 HB2 PHE 71 1HB PHE 71 0.462 -1.831 8.371 551 HB3 PHE 71 2HB PHE 71 1.734 -3.038 8.247 552 HD1 PHE 71 HD2 PHE 71 1.481 0.656 7.672 553 HD2 PHE 71 HD1 PHE 71 3.558 -2.563 9.519 554 HE1 PHE 71 HE2 PHE 71 3.071 2.253 8.657 555 HE2 PHE 71 HE1 PHE 71 5.147 -0.971 10.514 556 HZ PHE 71 HZ PHE 71 4.907 1.441 10.082 557 H TYR 72 H TYR 72 2.561 -3.814 5.175 558 HA TYR 72 HA TYR 72 0.366 -5.404 4.275 559 HB2 TYR 72 1HB TYR 72 3.234 -6.300 4.656 560 HB3 TYR 72 2HB TYR 72 2.017 -7.059 3.641 561 HD1 TYR 72 HD2 TYR 72 1.301 -5.932 1.535 562 HD2 TYR 72 HD1 TYR 72 4.536 -4.478 3.885 563 HE1 TYR 72 HE2 TYR 72 2.112 -4.636 -0.392 564 HE2 TYR 72 HE1 TYR 72 5.353 -3.184 1.965 565 HH TYR 72 HH TYR 72 4.463 -3.704 -1.130 566 H CYS 73 H CYS 73 -0.727 -6.925 5.358 567 HA CYS 73 HA CYS 73 -0.334 -7.292 8.132 568 HB2 CYS 73 1HB CYS 73 -2.246 -8.659 8.087 569 HB3 CYS 73 2HB CYS 73 -2.517 -7.478 6.810 570 H TRP 74 H TRP 74 -0.061 -9.372 9.196 571 HA TRP 74 HA TRP 74 2.330 -10.626 8.631 572 HB2 TRP 74 1HB TRP 74 1.253 -10.720 10.823 573 HB3 TRP 74 2HB TRP 74 -0.043 -11.713 10.166 574 HD1 TRP 74 HD1 TRP 74 3.804 -12.164 9.836 575 HE1 TRP 74 HE1 TRP 74 4.390 -14.541 10.626 576 HE3 TRP 74 HE3 TRP 74 -0.858 -13.691 11.275 577 HZ2 TRP 74 HZ2 TRP 74 3.036 -16.773 11.720 578 HZ3 TRP 74 HZ3 TRP 74 -1.128 -15.964 12.180 579 HH2 TRP 74 HH2 TRP 74 0.780 -17.472 12.396 580 H GLU 75 H GLU 75 -0.939 -11.598 7.670 581 HA GLU 75 HA GLU 75 -0.314 -14.142 6.670 582 HB2 GLU 75 1HB GLU 75 -2.482 -12.232 5.776 583 HB3 GLU 75 2HB GLU 75 -2.414 -13.945 5.388 584 HG2 GLU 75 1HG GLU 75 -2.549 -12.885 8.196 585 HG3 GLU 75 2HG GLU 75 -3.965 -13.330 7.244 586 H CYS 76 H CYS 76 -0.492 -11.003 5.002 587 HA CYS 76 HA CYS 76 0.377 -12.011 2.478 588 HB2 CYS 76 1HB CYS 76 0.327 -9.211 3.615 589 HB3 CYS 76 2HB CYS 76 0.818 -9.583 1.964 590 H CYS 77 H CYS 77 1.960 -10.787 5.331 591 HA CYS 77 HA CYS 77 4.547 -10.380 4.303 592 HB2 CYS 77 1HB CYS 77 3.825 -9.546 6.492 593 HB3 CYS 77 2HB CYS 77 3.667 -11.194 7.083 594 HG CYS 77 HG CYS 77 6.552 -11.586 6.528 595 H ARG 78 H ARG 78 2.990 -13.215 5.737 596 HA ARG 78 HA ARG 78 5.194 -14.951 5.713 597 HB2 ARG 78 1HB ARG 78 3.284 -15.550 6.998 598 HB3 ARG 78 2HB ARG 78 2.219 -15.420 5.607 599 HG2 ARG 78 1HG ARG 78 3.119 -17.410 4.643 600 HG3 ARG 78 2HG ARG 78 4.376 -17.498 5.881 601 HD2 ARG 78 1HD ARG 78 2.493 -19.058 6.288 602 HD3 ARG 78 2HD ARG 78 2.732 -17.899 7.595 603 HE ARG 78 HE ARG 78 0.680 -16.981 7.145 604 HH11 ARG 78 2HH1 ARG 78 1.544 -19.190 4.555 605 HH12 ARG 78 1HH1 ARG 78 -0.001 -19.072 3.766 606 HH21 ARG 78 2HH2 ARG 78 -1.337 -16.802 6.098 607 HH22 ARG 78 1HH2 ARG 78 -1.640 -17.694 4.637 608 H LEU 79 H LEU 79 2.644 -14.414 3.311 609 HA LEU 79 HA LEU 79 3.647 -16.293 1.426 610 HB2 LEU 79 1HB LEU 79 1.888 -13.885 0.963 611 HB3 LEU 79 2HB LEU 79 2.124 -15.213 -0.155 612 HG LEU 79 HG LEU 79 0.828 -15.439 2.563 613 HD11 LEU 79 1HD1 LEU 79 -0.855 -14.462 1.414 614 HD12 LEU 79 2HD1 LEU 79 -0.212 -14.943 -0.156 615 HD13 LEU 79 3HD1 LEU 79 -1.091 -16.110 0.832 616 HD21 LEU 79 3HD2 LEU 79 0.968 -17.650 2.373 617 HD22 LEU 79 1HD2 LEU 79 0.356 -17.602 0.719 618 HD23 LEU 79 2HD2 LEU 79 2.080 -17.400 1.026 619 H GLY 80 H GLY 80 4.235 -12.922 2.067 620 HA2 GLY 80 2HA GLY 80 6.062 -11.638 1.394 621 HA3 GLY 80 1HA GLY 80 6.529 -12.918 0.281 622 H LYS 81 H LYS 81 3.363 -11.389 0.570 623 HA LYS 81 HA LYS 81 3.336 -10.840 -2.256 624 HB2 LYS 81 1HB LYS 81 1.343 -10.414 -0.043 625 HB3 LYS 81 2HB LYS 81 1.074 -9.794 -1.666 626 HG2 LYS 81 1HG LYS 81 1.383 -12.156 -2.497 627 HG3 LYS 81 2HG LYS 81 1.332 -12.663 -0.806 628 HD2 LYS 81 1HD LYS 81 -0.883 -11.793 -0.544 629 HD3 LYS 81 2HD LYS 81 -0.827 -11.033 -2.135 630 HE2 LYS 81 1HE LYS 81 -0.639 -13.299 -3.144 631 HE3 LYS 81 2HE LYS 81 -0.858 -13.989 -1.535 632 HZ1 LYS 81 3HZ LYS 81 -2.810 -12.264 -2.975 633 HZ2 LYS 81 1HZ LYS 81 -3.020 -12.881 -1.411 634 HZ3 LYS 81 2HZ LYS 81 -2.949 -13.937 -2.735 635 H ASP 82 H ASP 82 4.545 -9.275 0.410 636 HA ASP 82 HA ASP 82 4.082 -6.552 -0.404 637 HB2 ASP 82 1HB ASP 82 5.756 -5.954 1.245 638 HB3 ASP 82 2HB ASP 82 4.655 -7.133 1.942 639 H LYS 83 H LYS 83 6.443 -9.054 -0.920 640 HA LYS 83 HA LYS 83 8.241 -7.376 -2.446 641 HB2 LYS 83 1HB LYS 83 8.178 -10.392 -2.175 642 HB3 LYS 83 2HB LYS 83 9.513 -9.429 -2.790 643 HG2 LYS 83 1HG LYS 83 10.020 -8.571 -0.670 644 HG3 LYS 83 2HG LYS 83 8.471 -9.091 0.001 645 HD2 LYS 83 1HD LYS 83 9.149 -11.437 -0.297 646 HD3 LYS 83 2HD LYS 83 10.710 -10.894 -0.919 647 HE2 LYS 83 1HE LYS 83 11.274 -9.899 1.185 648 HE3 LYS 83 2HE LYS 83 9.652 -10.189 1.814 649 HZ1 LYS 83 3HZ LYS 83 10.187 -12.637 1.402 650 HZ2 LYS 83 1HZ LYS 83 10.928 -11.881 2.726 651 HZ3 LYS 83 2HZ LYS 83 11.806 -12.147 1.302 652 H ASP 84 H ASP 84 5.341 -8.883 -2.978 653 HA ASP 84 HA ASP 84 5.718 -9.954 -5.565 654 HB2 ASP 84 1HB ASP 84 3.872 -10.528 -3.938 655 HB3 ASP 84 2HB ASP 84 3.108 -9.007 -4.393 656 H GLY 85 H GLY 85 4.493 -6.817 -4.418 657 HA2 GLY 85 2HA GLY 85 5.613 -5.390 -6.484 658 HA3 GLY 85 1HA GLY 85 4.013 -5.825 -7.055 659 H CYS 86 H CYS 86 4.374 -3.338 -7.050 660 HA CYS 86 HA CYS 86 3.872 -1.898 -4.651 661 HB2 CYS 86 1HB CYS 86 4.978 -0.659 -6.247 662 HB3 CYS 86 2HB CYS 86 4.068 -1.356 -7.573 663 HA PRO 87 HA PRO 87 -0.425 -3.094 -4.658 664 HB2 PRO 87 1HB PRO 87 -0.989 -2.287 -2.153 665 HB3 PRO 87 2HB PRO 87 -0.081 -3.757 -2.515 666 HG2 PRO 87 1HG PRO 87 0.920 -1.070 -1.683 667 HG3 PRO 87 2HG PRO 87 1.450 -2.677 -1.164 668 HD2 PRO 87 1HD PRO 87 2.787 -1.195 -3.007 669 HD3 PRO 87 2HD PRO 87 2.789 -2.969 -2.999 670 H ARG 88 H ARG 88 0.079 -0.570 -5.990 671 HA ARG 88 HA ARG 88 -1.869 1.276 -4.862 672 HB2 ARG 88 1HB ARG 88 -0.581 1.317 -7.599 673 HB3 ARG 88 2HB ARG 88 -1.480 2.630 -6.850 674 HG2 ARG 88 1HG ARG 88 1.115 1.495 -5.839 675 HG3 ARG 88 2HG ARG 88 0.938 2.980 -6.772 676 HD2 ARG 88 1HD ARG 88 0.164 4.151 -5.006 677 HD3 ARG 88 2HD ARG 88 -0.714 2.771 -4.341 678 HE ARG 88 HE ARG 88 2.056 3.499 -3.838 679 HH11 ARG 88 2HH1 ARG 88 -0.581 1.304 -3.278 680 HH12 ARG 88 1HH1 ARG 88 0.306 0.287 -2.192 681 HH21 ARG 88 2HH2 ARG 88 3.267 2.138 -2.403 682 HH22 ARG 88 1HH2 ARG 88 2.494 0.759 -1.695 683 H ILE 89 H ILE 89 -3.996 1.381 -5.415 684 HA ILE 89 HA ILE 89 -5.018 -0.890 -6.846 685 HB ILE 89 HB ILE 89 -6.388 1.344 -5.364 686 HG12 ILE 89 1HG1 ILE 89 -5.194 -0.231 -3.951 687 HG13 ILE 89 2HG1 ILE 89 -6.929 -0.460 -3.762 688 HG21 ILE 89 1HG2 ILE 89 -8.477 0.216 -5.656 689 HG22 ILE 89 2HG2 ILE 89 -7.776 0.506 -7.248 690 HG23 ILE 89 3HG2 ILE 89 -7.699 -1.104 -6.530 691 HD11 ILE 89 3HD1 ILE 89 -6.334 -2.245 -5.739 692 HD12 ILE 89 1HD1 ILE 89 -4.884 -2.298 -4.734 693 HD13 ILE 89 2HD1 ILE 89 -6.464 -2.624 -4.021 694 H LEU 90 H LEU 90 -5.642 -0.978 -8.860 695 HA LEU 90 HA LEU 90 -6.878 1.270 -10.168 696 HB2 LEU 90 1HB LEU 90 -5.495 0.964 -12.231 697 HB3 LEU 90 2HB LEU 90 -4.672 1.738 -10.898 698 HG LEU 90 HG LEU 90 -4.316 -1.209 -11.344 699 HD11 LEU 90 1HD1 LEU 90 -3.446 -0.851 -13.364 700 HD12 LEU 90 2HD1 LEU 90 -3.554 0.899 -13.179 701 HD13 LEU 90 3HD1 LEU 90 -2.153 0.031 -12.552 702 HD21 LEU 90 3HD2 LEU 90 -3.133 -0.773 -9.491 703 HD22 LEU 90 1HD2 LEU 90 -1.935 -0.145 -10.625 704 HD23 LEU 90 2HD2 LEU 90 -3.053 0.958 -9.822 705 H ASN 91 H ASN 91 -7.997 -0.921 -9.188 706 HA ASN 91 HA ASN 91 -8.033 -3.245 -10.637 707 HB2 ASN 91 1HB ASN 91 -10.145 -1.945 -8.947 708 HB3 ASN 91 2HB ASN 91 -10.397 -3.516 -9.690 709 HD21 ASN 91 1HD2 ASN 91 -9.941 -5.151 -8.488 710 HD22 ASN 91 2HD2 ASN 91 -8.837 -5.183 -7.147 711 H LEU 92 H LEU 92 -8.673 -3.819 -12.522 712 HA LEU 92 HA LEU 92 -11.080 -3.376 -13.755 713 HB2 LEU 92 1HB LEU 92 -10.435 -1.033 -13.947 714 HB3 LEU 92 2HB LEU 92 -8.937 -1.492 -14.732 715 HG LEU 92 HG LEU 92 -10.258 -2.412 -16.629 716 HD11 LEU 92 1HD1 LEU 92 -12.561 -2.147 -16.823 717 HD12 LEU 92 2HD1 LEU 92 -12.349 -2.673 -15.153 718 HD13 LEU 92 3HD1 LEU 92 -12.634 -0.970 -15.512 719 HD21 LEU 92 3HD2 LEU 92 -9.910 -0.444 -17.570 720 HD22 LEU 92 1HD2 LEU 92 -11.284 0.255 -16.713 721 HD23 LEU 92 2HD2 LEU 92 -9.686 0.246 -15.963 722 H GLY 93 H GLY 93 -7.631 -3.399 -14.476 723 HA2 GLY 93 2HA GLY 93 -6.919 -5.791 -15.159 724 HA3 GLY 93 1HA GLY 93 -8.050 -5.505 -16.483 725 H SER 94 H SER 94 -7.688 -3.585 -17.778 726 HA SER 94 HA SER 94 -5.580 -1.885 -17.701 727 HB2 SER 94 1HB SER 94 -4.073 -3.831 -17.983 728 HB3 SER 94 2HB SER 94 -4.883 -4.219 -19.502 729 HG SER 94 HG SER 94 -3.165 -2.088 -18.872 730 H ASN 95 H ASN 95 -6.676 -3.978 -20.347 731 HA ASN 95 HA ASN 95 -7.939 -3.634 -22.193 732 HB2 ASN 95 1HB ASN 95 -8.799 -1.109 -20.769 733 HB3 ASN 95 2HB ASN 95 -9.481 -1.663 -22.293 734 HD21 ASN 95 1HD2 ASN 95 -8.735 -4.370 -20.571 735 HD22 ASN 95 2HD2 ASN 95 -10.252 -4.644 -19.785 736 H ARG 96 H ARG 96 -5.904 -1.004 -21.139 737 HA ARG 96 HA ARG 96 -4.939 -0.606 -23.838 738 HB2 ARG 96 1HB ARG 96 -5.324 1.951 -23.476 739 HB3 ARG 96 2HB ARG 96 -6.637 0.951 -24.078 740 HG2 ARG 96 1HG ARG 96 -7.621 2.311 -22.458 741 HG3 ARG 96 2HG ARG 96 -7.388 0.763 -21.647 742 HD2 ARG 96 1HD ARG 96 -5.086 1.887 -20.983 743 HD3 ARG 96 2HD ARG 96 -6.019 3.364 -21.220 744 HE ARG 96 HE ARG 96 -6.171 1.589 -19.022 745 HH11 ARG 96 2HH1 ARG 96 -8.199 3.669 -21.011 746 HH12 ARG 96 1HH1 ARG 96 -9.422 3.828 -19.785 747 HH21 ARG 96 2HH2 ARG 96 -7.778 1.815 -17.438 748 HH22 ARG 96 1HH2 ARG 96 -9.185 2.795 -17.768 749 H LEU 97 H LEU 97 -3.082 0.844 -23.911 750 HA LEU 97 HA LEU 97 -1.137 1.739 -23.191 751 HB2 LEU 97 1HB LEU 97 -2.398 1.582 -20.476 752 HB3 LEU 97 2HB LEU 97 -0.811 2.268 -20.768 753 HG LEU 97 HG LEU 97 -3.388 3.291 -21.969 754 HD11 LEU 97 1HD1 LEU 97 -3.371 5.006 -20.394 755 HD12 LEU 97 2HD1 LEU 97 -2.994 3.564 -19.452 756 HD13 LEU 97 3HD1 LEU 97 -1.707 4.676 -19.915 757 HD21 LEU 97 3HD2 LEU 97 -2.189 4.833 -23.116 758 HD22 LEU 97 1HD2 LEU 97 -0.904 4.896 -21.908 759 HD23 LEU 97 2HD2 LEU 97 -0.965 3.564 -23.062 760 H ASP 98 H ASP 98 -2.055 -0.769 -20.864 761 HA ASP 98 HA ASP 98 0.689 -1.645 -20.652 762 HB2 ASP 98 1HB ASP 98 -1.789 -2.956 -19.515 763 HB3 ASP 98 2HB ASP 98 -0.125 -3.318 -19.072 764 H ARG 99 H ARG 99 -0.077 -1.839 -23.263 765 HA ARG 99 HA ARG 99 0.154 -4.732 -23.684 766 HB2 ARG 99 1HB ARG 99 -1.519 -2.951 -25.469 767 HB3 ARG 99 2HB ARG 99 -1.328 -4.695 -25.584 768 HG2 ARG 99 1HG ARG 99 -2.518 -4.981 -23.482 769 HG3 ARG 99 2HG ARG 99 -2.688 -3.229 -23.331 770 HD2 ARG 99 1HD ARG 99 -3.879 -5.023 -25.431 771 HD3 ARG 99 2HD ARG 99 -4.733 -4.084 -24.207 772 HE ARG 99 HE ARG 99 -3.209 -2.329 -25.785 773 HH11 ARG 99 2HH1 ARG 99 -6.031 -4.392 -26.007 774 HH12 ARG 99 1HH1 ARG 99 -6.761 -3.467 -27.287 775 HH21 ARG 99 2HH2 ARG 99 -4.147 -1.135 -27.496 776 HH22 ARG 99 1HH2 ARG 99 -5.676 -1.638 -28.153 777 H HIS 100 H HIS 100 2.069 -2.699 -23.476 778 HA HIS 100 HA HIS 100 3.356 -2.848 -26.090 779 HB2 HIS 100 1HB HIS 100 2.381 -0.356 -24.790 780 HB3 HIS 100 2HB HIS 100 4.004 -0.302 -25.457 781 HD1 HIS 100 HD1 HIS 100 2.432 1.595 -26.816 782 HD2 HIS 100 HD2 HIS 100 2.133 -2.411 -27.878 783 HE1 HIS 100 HE1 HIS 100 1.488 1.582 -29.146 784 HE2 HIS 100 HE2 HIS 100 1.178 -0.855 -29.714 785 H PHE 101 H PHE 101 5.542 -3.158 -25.844 786 HA PHE 101 HA PHE 101 6.535 -3.434 -23.177 787 HB2 PHE 101 1HB PHE 101 8.777 -3.802 -24.380 788 HB3 PHE 101 2HB PHE 101 7.502 -4.986 -24.609 789 HD1 PHE 101 HD2 PHE 101 8.982 -1.964 -26.218 790 HD2 PHE 101 HD1 PHE 101 6.932 -5.658 -26.724 791 HE1 PHE 101 HE2 PHE 101 9.235 -1.767 -28.655 792 HE2 PHE 101 HE1 PHE 101 7.197 -5.475 -29.161 793 HZ PHE 101 HZ PHE 101 8.346 -3.526 -30.131 794 H GLU 102 H GLU 102 6.947 -1.079 -25.757 795 HA GLU 102 HA GLU 102 7.958 0.982 -25.809 796 HB2 GLU 102 1HB GLU 102 6.323 0.984 -23.282 797 HB3 GLU 102 2HB GLU 102 7.039 2.444 -23.955 798 HG2 GLU 102 1HG GLU 102 5.765 2.219 -25.966 799 HG3 GLU 102 2HG GLU 102 5.169 0.640 -25.466 800 H LYS 103 H LYS 103 10.005 -0.355 -25.367 801 HA LYS 103 HA LYS 103 12.115 -0.390 -24.550 802 HB2 LYS 103 1HB LYS 103 11.328 1.954 -22.811 803 HB3 LYS 103 2HB LYS 103 12.963 1.406 -23.153 804 HG2 LYS 103 1HG LYS 103 12.654 1.980 -25.517 805 HG3 LYS 103 2HG LYS 103 11.031 2.570 -25.143 806 HD2 LYS 103 1HD LYS 103 11.973 4.221 -23.615 807 HD3 LYS 103 2HD LYS 103 13.597 3.622 -23.960 808 HE2 LYS 103 1HE LYS 103 13.264 4.233 -26.341 809 HE3 LYS 103 2HE LYS 103 11.704 4.932 -25.906 810 HZ1 LYS 103 3HZ LYS 103 13.103 6.749 -25.839 811 HZ2 LYS 103 1HZ LYS 103 14.407 5.863 -25.214 812 HZ3 LYS 103 2HZ LYS 103 13.102 6.266 -24.213 813 H LYS 104 H LYS 104 12.231 0.678 -21.522 814 HA LYS 104 HA LYS 104 12.192 -0.207 -19.445 815 HB2 LYS 104 1HB LYS 104 9.792 -0.439 -19.714 816 HB3 LYS 104 2HB LYS 104 10.003 -1.951 -20.585 817 HG2 LYS 104 1HG LYS 104 9.290 -2.407 -18.340 818 HG3 LYS 104 2HG LYS 104 10.952 -2.958 -18.548 819 HD2 LYS 104 1HD LYS 104 11.746 -0.884 -17.479 820 HD3 LYS 104 2HD LYS 104 10.070 -0.395 -17.226 821 HE2 LYS 104 1HE LYS 104 11.340 -2.894 -16.116 822 HE3 LYS 104 2HE LYS 104 11.087 -1.401 -15.217 823 HZ1 LYS 104 3HZ LYS 104 8.685 -1.654 -15.640 824 HZ2 LYS 104 1HZ LYS 104 9.333 -2.919 -14.717 825 HZ3 LYS 104 2HZ LYS 104 8.984 -3.163 -16.358 826 H LYS 105 H LYS 105 11.634 -3.009 -21.571 827 HA LYS 105 HA LYS 105 14.270 -4.068 -20.950 828 HB2 LYS 105 1HB LYS 105 11.700 -5.509 -20.258 829 HB3 LYS 105 2HB LYS 105 13.242 -6.333 -20.429 830 HG2 LYS 105 1HG LYS 105 12.731 -4.109 -18.466 831 HG3 LYS 105 2HG LYS 105 12.595 -5.828 -18.084 832 HD2 LYS 105 1HD LYS 105 14.930 -6.166 -18.612 833 HD3 LYS 105 2HD LYS 105 15.084 -4.488 -19.137 834 HE2 LYS 105 1HE LYS 105 14.628 -3.713 -16.886 835 HE3 LYS 105 2HE LYS 105 14.365 -5.371 -16.344 836 HZ1 LYS 105 3HZ LYS 105 16.635 -5.887 -16.707 837 HZ2 LYS 105 1HZ LYS 105 16.598 -4.436 -15.828 838 HZ3 LYS 105 2HZ LYS 105 16.927 -4.409 -17.492 839 H LYS 106 H LYS 106 13.207 -2.976 -23.280 840 HA LYS 106 HA LYS 106 12.031 -4.874 -24.999 841 HB2 LYS 106 1HB LYS 106 11.876 -2.458 -25.392 842 HB3 LYS 106 2HB LYS 106 13.609 -2.388 -25.684 843 HG2 LYS 106 1HG LYS 106 13.347 -3.821 -27.640 844 HG3 LYS 106 2HG LYS 106 11.609 -3.904 -27.347 845 HD2 LYS 106 1HD LYS 106 12.098 -2.273 -29.078 846 HD3 LYS 106 2HD LYS 106 11.460 -1.468 -27.645 847 HE2 LYS 106 1HE LYS 106 13.687 -0.795 -26.987 848 HE3 LYS 106 2HE LYS 106 14.387 -1.701 -28.327 849 HZ1 LYS 106 3HZ LYS 106 13.544 -0.206 -29.878 850 HZ2 LYS 106 1HZ LYS 106 14.098 0.790 -28.621 851 HZ3 LYS 106 2HZ LYS 106 12.440 0.476 -28.785 852 H VAL 107 H VAL 107 12.857 -6.476 -26.122 853 HA VAL 107 HA VAL 107 15.730 -6.509 -26.733 854 HB VAL 107 HB VAL 107 14.161 -8.936 -25.808 855 HG11 VAL 107 1HG1 VAL 107 15.857 -10.227 -26.478 856 HG12 VAL 107 2HG1 VAL 107 16.370 -8.843 -27.443 857 HG13 VAL 107 3HG1 VAL 107 17.069 -9.111 -25.846 858 HG21 VAL 107 3HG2 VAL 107 16.479 -8.122 -24.222 859 HG22 VAL 107 1HG2 VAL 107 15.149 -6.966 -24.185 860 HG23 VAL 107 2HG2 VAL 107 14.874 -8.640 -23.705
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