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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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5062 |
1gbr ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY -8 HT2 GLY -8 1.248 -11.325 -11.325 2 2H GLY -8 HT1 GLY -8 -0.338 -11.266 -11.266 3 3H GLY -8 HT3 GLY -8 0.926 -11.828 -11.828 4 1HA GLY -8 HA1 GLY -8 1.749 -9.606 -9.606 5 2HA GLY -8 HA2 GLY -8 0.130 -9.515 -9.515 6 H SER -7 HN SER -7 -0.201 -7.459 -7.459 7 HA SER -7 HA SER -7 1.222 -6.778 -6.778 8 1HB SER -7 HB2 SER -7 1.340 -5.221 -5.221 9 2HB SER -7 HB1 SER -7 1.589 -4.435 -4.435 10 HG SER -7 HG SER -7 3.446 -5.477 -5.477 11 H ARG -6 HN ARG -6 -0.023 -5.497 -5.497 12 HA ARG -6 HA ARG -6 -2.729 -4.742 -4.742 13 1HB ARG -6 HB2 ARG -6 -3.396 -4.852 -4.852 14 2HB ARG -6 HB1 ARG -6 -3.000 -6.398 -6.398 15 1HG ARG -6 HG2 ARG -6 -0.757 -6.338 -6.338 16 2HG ARG -6 HG1 ARG -6 -1.061 -4.736 -4.736 17 1HD ARG -6 HD2 ARG -6 -2.947 -5.699 -5.699 18 2HD ARG -6 HD1 ARG -6 -2.502 -7.298 -7.298 19 HE ARG -6 HE ARG -6 -0.793 -7.307 -7.307 20 1HH1 ARG -6 HH21 ARG -6 0.823 -5.126 -5.126 21 2HH1 ARG -6 HH22 ARG -6 0.809 -3.927 -3.927 22 1HH2 ARG -6 HH11 ARG -6 -1.900 -5.313 -5.313 23 2HH2 ARG -6 HH12 ARG -6 -0.734 -4.032 -4.032 24 H ARG -5 HN ARG -5 -3.091 -2.594 -2.594 25 HA ARG -5 HA ARG -5 -1.577 -0.783 -0.783 26 1HB ARG -5 HB2 ARG -5 -1.827 -0.733 -0.733 27 2HB ARG -5 HB1 ARG -5 -1.876 0.818 0.818 28 1HG ARG -5 HG2 ARG -5 0.236 0.135 0.135 29 2HG ARG -5 HG1 ARG -5 0.317 -1.266 -1.266 30 1HD ARG -5 HD2 ARG -5 0.874 -0.006 -0.006 31 2HD ARG -5 HD1 ARG -5 -0.061 1.387 1.387 32 HE ARG -5 HE ARG -5 2.457 0.717 0.717 33 1HH1 ARG -5 HH11 ARG -5 0.468 3.228 3.228 34 2HH1 ARG -5 HH12 ARG -5 1.567 4.376 4.376 35 1HH2 ARG -5 HH21 ARG -5 3.938 1.995 1.995 36 2HH2 ARG -5 HH22 ARG -5 3.530 3.678 3.678 37 H ALA -4 HN ALA -4 -4.224 -1.794 -1.794 38 HA ALA -4 HA ALA -4 -5.734 0.772 0.772 39 1HB ALA -4 HB2 ALA -4 -6.606 -1.913 -1.913 40 2HB ALA -4 HB1 ALA -4 -7.806 -0.789 -0.789 41 3HB ALA -4 HB3 ALA -4 -6.803 -0.323 -0.323 42 H SER -3 HN SER -3 -4.281 -0.514 -0.514 43 HA SER -3 HA SER -3 -6.477 -1.502 -1.502 44 1HB SER -3 HB2 SER -3 -4.364 -1.819 -1.819 45 2HB SER -3 HB1 SER -3 -4.701 -2.974 -2.974 46 HG SER -3 HG SER -3 -2.583 -1.361 -1.361 47 H VAL -2 HN VAL -2 -3.570 0.356 0.356 48 HA VAL -2 HA VAL -2 -3.356 2.307 2.307 49 HB VAL -2 HB VAL -2 -6.022 3.023 3.023 50 1HG1 VAL -2 HG12 VAL -2 -3.760 4.682 4.682 51 2HG1 VAL -2 HG11 VAL -2 -5.150 5.345 5.345 52 3HG1 VAL -2 HG13 VAL -2 -5.381 4.505 4.505 53 1HG2 VAL -2 HG21 VAL -2 -3.228 2.939 2.939 54 2HG2 VAL -2 HG23 VAL -2 -4.754 2.678 2.678 55 3HG2 VAL -2 HG22 VAL -2 -4.229 4.317 4.317 56 H GLY -1 HN GLY -1 -3.670 1.058 1.058 57 1HA GLY -1 HA2 GLY -1 -5.606 2.114 2.114 58 2HA GLY -1 HA1 GLY -1 -6.243 0.584 0.584 59 H SER 0 HN SER 0 -5.886 -0.976 -0.976 60 HA SER 0 HA SER 0 -3.260 -1.797 -1.797 61 1HB SER 0 HB2 SER 0 -3.827 -1.258 -1.258 62 2HB SER 0 HB1 SER 0 -3.002 -0.074 -0.074 63 HG SER 0 HG SER 0 -5.286 0.207 0.207 64 H MET 1 HN MET 1 -3.596 -3.264 -3.264 65 HA MET 1 HA MET 1 -5.920 -4.997 -4.997 66 1HB MET 1 HB2 MET 1 -3.242 -5.466 -5.466 67 2HB MET 1 HB1 MET 1 -4.577 -6.512 -6.512 68 1HG MET 1 HG2 MET 1 -3.505 -7.551 -7.551 69 2HG MET 1 HG1 MET 1 -5.065 -6.925 -6.925 70 1HE MET 1 HE3 MET 1 -5.123 -6.550 -6.550 71 2HE MET 1 HE2 MET 1 -4.064 -5.631 -5.631 72 3HE MET 1 HE1 MET 1 -3.598 -7.253 -7.253 73 H GLU 2 HN GLU 2 -6.547 -6.291 -6.291 74 HA GLU 2 HA GLU 2 -7.036 -4.207 -4.207 75 1HB GLU 2 HB2 GLU 2 -8.916 -5.500 -5.500 76 2HB GLU 2 HB1 GLU 2 -9.067 -6.264 -6.264 77 1HG GLU 2 HG2 GLU 2 -9.653 -4.260 -4.260 78 2HG GLU 2 HG1 GLU 2 -8.937 -3.271 -3.271 79 H ALA 3 HN ALA 3 -7.801 -5.448 -5.448 80 HA ALA 3 HA ALA 3 -6.687 -8.094 -8.094 81 1HB ALA 3 HB3 ALA 3 -5.447 -5.662 -5.662 82 2HB ALA 3 HB2 ALA 3 -5.222 -7.279 -7.279 83 3HB ALA 3 HB1 ALA 3 -4.682 -6.912 -6.912 84 H ILE 4 HN ILE 4 -8.195 -9.034 -9.034 85 HA ILE 4 HA ILE 4 -10.292 -7.760 -7.760 86 HB ILE 4 HB ILE 4 -10.585 -9.918 -9.918 87 1HG1 ILE 4 HG12 ILE 4 -10.651 -10.886 -10.886 88 2HG1 ILE 4 HG11 ILE 4 -11.316 -9.260 -9.260 89 1HG2 ILE 4 HG23 ILE 4 -8.063 -10.461 -10.461 90 2HG2 ILE 4 HG22 ILE 4 -9.251 -11.738 -11.738 91 3HG2 ILE 4 HG21 ILE 4 -8.810 -11.270 -11.270 92 1HD1 ILE 4 HD12 ILE 4 -12.074 -11.533 -11.533 93 2HD1 ILE 4 HD11 ILE 4 -12.958 -11.125 -11.125 94 3HD1 ILE 4 HD13 ILE 4 -12.858 -9.961 -9.961 95 H ALA 5 HN ALA 5 -10.321 -6.813 -6.813 96 HA ALA 5 HA ALA 5 -8.200 -7.142 -7.142 97 1HB ALA 5 HB2 ALA 5 -10.834 -5.661 -5.661 98 2HB ALA 5 HB1 ALA 5 -9.940 -5.846 -5.846 99 3HB ALA 5 HB3 ALA 5 -9.204 -5.001 -5.001 100 H LYS 6 HN LYS 6 -8.166 -9.138 -9.138 101 HA LYS 6 HA LYS 6 -10.446 -10.845 -10.845 102 1HB LYS 6 HB2 LYS 6 -7.793 -10.924 -10.924 103 2HB LYS 6 HB1 LYS 6 -8.949 -12.250 -12.250 104 1HG LYS 6 HG2 LYS 6 -8.628 -12.438 -12.438 105 2HG LYS 6 HG1 LYS 6 -7.757 -10.905 -10.905 106 1HD LYS 6 HD2 LYS 6 -6.005 -12.438 -12.438 107 2HD LYS 6 HD1 LYS 6 -6.116 -12.074 -12.074 108 1HE LYS 6 HE2 LYS 6 -7.860 -14.274 -14.274 109 2HE LYS 6 HE1 LYS 6 -6.128 -14.603 -14.603 110 1HZ LYS 6 HZ1 LYS 6 -6.102 -13.752 -13.752 111 2HZ LYS 6 HZ3 LYS 6 -7.796 -13.825 -13.825 112 3HZ LYS 6 HZ2 LYS 6 -6.882 -15.243 -15.243 113 H TYR 7 HN TYR 7 -9.105 -8.314 -8.314 114 HA TYR 7 HA TYR 7 -11.308 -8.784 -8.784 115 1HB TYR 7 HB2 TYR 7 -8.483 -8.292 -8.292 116 2HB TYR 7 HB1 TYR 7 -9.888 -8.727 -8.727 117 HD1 TYR 7 HD2 TYR 7 -7.648 -9.953 -9.953 118 HD2 TYR 7 HD1 TYR 7 -10.415 -11.004 -11.004 119 HE1 TYR 7 HE2 TYR 7 -7.034 -12.326 -12.326 120 HE2 TYR 7 HE1 TYR 7 -9.818 -13.399 -13.399 121 HH TYR 7 HH TYR 7 -8.858 -14.864 -14.864 122 H ASP 8 HN ASP 8 -10.937 -6.968 -6.968 123 HA ASP 8 HA ASP 8 -11.229 -4.446 -4.446 124 1HB ASP 8 HB2 ASP 8 -12.061 -5.594 -5.594 125 2HB ASP 8 HB1 ASP 8 -11.248 -4.056 -4.056 126 H PHE 9 HN PHE 9 -10.060 -2.494 -2.494 127 HA PHE 9 HA PHE 9 -7.771 -2.564 -2.564 128 1HB PHE 9 HB2 PHE 9 -7.262 -3.890 -3.890 129 2HB PHE 9 HB1 PHE 9 -6.557 -2.296 -2.296 130 HD1 PHE 9 HD1 PHE 9 -6.048 -2.095 -2.095 131 HD2 PHE 9 HD2 PHE 9 -5.014 -4.898 -4.898 132 HE1 PHE 9 HE1 PHE 9 -4.054 -2.791 -2.791 133 HE2 PHE 9 HE2 PHE 9 -3.024 -5.602 -5.602 134 HZ PHE 9 HZ PHE 9 -2.545 -4.547 -4.547 135 H LYS 10 HN LYS 10 -6.285 -0.562 -0.562 136 HA LYS 10 HA LYS 10 -7.697 1.491 1.491 137 1HB LYS 10 HB2 LYS 10 -7.961 3.052 3.052 138 2HB LYS 10 HB1 LYS 10 -8.614 1.530 1.530 139 1HG LYS 10 HG2 LYS 10 -6.494 1.069 1.069 140 2HG LYS 10 HG1 LYS 10 -5.836 2.596 2.596 141 1HD LYS 10 HD2 LYS 10 -8.450 2.629 2.629 142 2HD LYS 10 HD1 LYS 10 -6.958 2.467 2.467 143 1HE LYS 10 HE2 LYS 10 -7.283 4.802 4.802 144 2HE LYS 10 HE1 LYS 10 -6.117 4.489 4.489 145 1HZ LYS 10 HZ2 LYS 10 -8.943 4.330 4.330 146 2HZ LYS 10 HZ1 LYS 10 -8.326 5.878 5.878 147 3HZ LYS 10 HZ3 LYS 10 -7.624 4.932 4.932 148 H ALA 11 HN ALA 11 -6.370 3.583 3.583 149 HA ALA 11 HA ALA 11 -3.662 2.782 2.782 150 1HB ALA 11 HB2 ALA 11 -5.020 4.446 4.446 151 2HB ALA 11 HB1 ALA 11 -4.760 5.586 5.586 152 3HB ALA 11 HB3 ALA 11 -3.377 4.957 4.957 153 H THR 12 HN THR 12 -1.917 3.073 3.073 154 HA THR 12 HA THR 12 -2.429 4.599 4.599 155 HB THR 12 HB THR 12 -0.409 3.227 3.227 156 HG1 THR 12 HG1 THR 12 -1.180 1.603 1.603 157 1HG2 THR 12 HG23 THR 12 -3.066 1.966 1.966 158 2HG2 THR 12 HG22 THR 12 -1.885 1.197 1.197 159 3HG2 THR 12 HG21 THR 12 -2.617 2.733 2.733 160 H ALA 13 HN ALA 13 0.211 3.811 3.811 161 HA ALA 13 HA ALA 13 1.897 5.995 5.995 162 1HB ALA 13 HB2 ALA 13 1.906 4.118 4.118 163 2HB ALA 13 HB1 ALA 13 2.940 5.551 5.551 164 3HB ALA 13 HB3 ALA 13 3.131 4.347 4.347 165 H ASP 14 HN ASP 14 2.536 7.735 7.735 166 HA ASP 14 HA ASP 14 0.321 9.354 9.354 167 1HB ASP 14 HB2 ASP 14 2.772 9.872 9.872 168 2HB ASP 14 HB1 ASP 14 3.066 9.752 9.752 169 H ASP 15 HN ASP 15 1.950 6.881 6.881 170 HA ASP 15 HA ASP 15 0.592 7.704 7.704 171 1HB ASP 15 HB2 ASP 15 3.190 7.825 7.825 172 2HB ASP 15 HB1 ASP 15 3.092 6.070 6.070 173 H GLU 16 HN GLU 16 -0.444 5.963 5.963 174 HA GLU 16 HA GLU 16 -0.282 3.281 3.281 175 1HB GLU 16 HB2 GLU 16 -0.006 3.692 3.692 176 2HB GLU 16 HB1 GLU 16 -1.754 3.923 3.923 177 1HG GLU 16 HG2 GLU 16 -2.191 1.726 1.726 178 2HG GLU 16 HG1 GLU 16 -0.740 1.533 1.533 179 H LEU 17 HN LEU 17 -2.500 2.097 2.097 180 HA LEU 17 HA LEU 17 -4.596 4.022 4.022 181 1HB LEU 17 HB2 LEU 17 -3.537 2.871 2.871 182 2HB LEU 17 HB1 LEU 17 -3.947 1.323 1.323 183 HG LEU 17 HG LEU 17 -6.348 1.902 1.902 184 1HD1 LEU 17 HD12 LEU 17 -5.191 4.504 4.504 185 2HD1 LEU 17 HD11 LEU 17 -6.532 3.977 3.977 186 3HD1 LEU 17 HD13 LEU 17 -6.753 4.142 4.142 187 1HD2 LEU 17 HD23 LEU 17 -5.117 0.719 0.719 188 2HD2 LEU 17 HD22 LEU 17 -6.553 1.602 1.602 189 3HD2 LEU 17 HD21 LEU 17 -4.953 2.286 2.286 190 H SER 18 HN SER 18 -6.738 3.543 3.543 191 HA SER 18 HA SER 18 -7.071 1.554 1.554 192 1HB SER 18 HB2 SER 18 -9.083 3.530 3.530 193 2HB SER 18 HB1 SER 18 -8.717 2.892 2.892 194 HG SER 18 HG SER 18 -7.868 5.136 5.136 195 H PHE 19 HN PHE 19 -9.048 0.250 0.250 196 HA PHE 19 HA PHE 19 -10.890 0.123 0.123 197 1HB PHE 19 HB2 PHE 19 -10.143 -1.909 -1.909 198 2HB PHE 19 HB1 PHE 19 -8.923 -0.648 -0.648 199 HD1 PHE 19 HD2 PHE 19 -9.865 -3.710 -3.710 200 HD2 PHE 19 HD1 PHE 19 -6.724 -0.958 -0.958 201 HE1 PHE 19 HE2 PHE 19 -8.192 -5.237 -5.237 202 HE2 PHE 19 HE1 PHE 19 -5.056 -2.481 -2.481 203 HZ PHE 19 HZ PHE 19 -5.790 -4.621 -4.621 204 H LYS 20 HN LYS 20 -12.307 -1.805 -1.805 205 HA LYS 20 HA LYS 20 -12.263 -2.907 -2.907 206 1HB LYS 20 HB2 LYS 20 -14.623 -2.587 -2.587 207 2HB LYS 20 HB1 LYS 20 -14.679 -3.069 -3.069 208 1HG LYS 20 HG2 LYS 20 -13.238 -0.551 -0.551 209 2HG LYS 20 HG1 LYS 20 -14.913 -0.476 -0.476 210 1HD LYS 20 HD2 LYS 20 -15.148 -1.793 -1.793 211 2HD LYS 20 HD1 LYS 20 -13.819 -0.679 -0.679 212 1HE LYS 20 HE2 LYS 20 -15.135 1.207 1.207 213 2HE LYS 20 HE1 LYS 20 -16.263 0.354 0.354 214 1HZ LYS 20 HZ3 LYS 20 -16.952 -0.934 -0.934 215 2HZ LYS 20 HZ2 LYS 20 -16.030 0.137 0.137 216 3HZ LYS 20 HZ1 LYS 20 -17.354 0.712 0.712 217 H ARG 21 HN ARG 21 -13.781 -4.984 -4.984 218 HA ARG 21 HA ARG 21 -12.352 -7.001 -7.001 219 1HB ARG 21 HB2 ARG 21 -13.414 -7.228 -7.228 220 2HB ARG 21 HB1 ARG 21 -14.978 -7.274 -7.274 221 1HG ARG 21 HG2 ARG 21 -14.540 -9.329 -9.329 222 2HG ARG 21 HG1 ARG 21 -12.789 -9.127 -9.127 223 1HD ARG 21 HD2 ARG 21 -12.773 -9.595 -9.595 224 2HD ARG 21 HD1 ARG 21 -14.491 -9.257 -9.257 225 HE ARG 21 HE ARG 21 -14.266 -11.467 -11.467 226 1HH1 ARG 21 HH11 ARG 21 -12.384 -11.166 -11.166 227 2HH1 ARG 21 HH12 ARG 21 -13.058 -12.517 -12.517 228 1HH2 ARG 21 HH21 ARG 21 -15.643 -12.981 -12.981 229 2HH2 ARG 21 HH22 ARG 21 -14.903 -13.542 -13.542 230 H GLY 22 HN GLY 22 -12.674 -6.845 -6.845 231 1HA GLY 22 HA2 GLY 22 -14.152 -7.884 -7.884 232 2HA GLY 22 HA1 GLY 22 -15.501 -7.064 -7.064 233 H ASP 23 HN ASP 23 -12.984 -4.902 -4.902 234 HA ASP 23 HA ASP 23 -14.008 -3.389 -3.389 235 1HB ASP 23 HB2 ASP 23 -12.460 -2.935 -2.935 236 2HB ASP 23 HB1 ASP 23 -12.041 -1.917 -1.917 237 H ILE 24 HN ILE 24 -13.129 -4.547 -4.547 238 HA ILE 24 HA ILE 24 -10.343 -5.263 -5.263 239 HB ILE 24 HB ILE 24 -12.039 -4.839 -4.839 240 1HG1 ILE 24 HG12 ILE 24 -12.165 -7.057 -7.057 241 2HG1 ILE 24 HG11 ILE 24 -13.503 -6.127 -6.127 242 1HG2 ILE 24 HG23 ILE 24 -9.452 -5.563 -5.563 243 2HG2 ILE 24 HG22 ILE 24 -10.200 -7.144 -7.144 244 3HG2 ILE 24 HG21 ILE 24 -10.450 -6.180 -6.180 245 1HD1 ILE 24 HD11 ILE 24 -12.502 -7.263 -7.263 246 2HD1 ILE 24 HD13 ILE 24 -12.148 -8.517 -8.517 247 3HD1 ILE 24 HD12 ILE 24 -13.807 -7.962 -7.962 248 H LEU 25 HN LEU 25 -8.629 -4.095 -4.095 249 HA LEU 25 HA LEU 25 -9.070 -1.219 -1.219 250 1HB LEU 25 HB2 LEU 25 -6.505 -2.608 -2.608 251 2HB LEU 25 HB1 LEU 25 -6.839 -0.876 -0.876 252 HG LEU 25 HG LEU 25 -8.864 -1.639 -1.639 253 1HD1 LEU 25 HD12 LEU 25 -6.971 -3.958 -3.958 254 2HD1 LEU 25 HD11 LEU 25 -7.713 -3.506 -3.506 255 3HD1 LEU 25 HD13 LEU 25 -8.728 -3.953 -3.953 256 1HD2 LEU 25 HD22 LEU 25 -5.963 -1.238 -1.238 257 2HD2 LEU 25 HD21 LEU 25 -7.314 -0.123 -0.123 258 3HD2 LEU 25 HD23 LEU 25 -7.156 -1.516 -1.516 259 H LYS 26 HN LYS 26 -7.246 -0.213 -0.213 260 HA LYS 26 HA LYS 26 -6.943 -2.017 -2.017 261 1HB LYS 26 HB2 LYS 26 -6.991 1.008 1.008 262 2HB LYS 26 HB1 LYS 26 -6.660 0.137 0.137 263 1HG LYS 26 HG2 LYS 26 -8.941 -1.109 -1.109 264 2HG LYS 26 HG1 LYS 26 -9.222 0.477 0.477 265 1HD LYS 26 HD2 LYS 26 -8.558 1.465 1.465 266 2HD LYS 26 HD1 LYS 26 -8.694 -0.174 -0.174 267 1HE LYS 26 HE2 LYS 26 -10.858 0.536 0.536 268 2HE LYS 26 HE1 LYS 26 -11.037 -0.074 -0.074 269 1HZ LYS 26 HZ3 LYS 26 -10.245 2.723 2.723 270 2HZ LYS 26 HZ2 LYS 26 -11.882 2.266 2.266 271 3HZ LYS 26 HZ1 LYS 26 -10.951 2.052 2.052 272 H VAL 27 HN VAL 27 -4.916 -2.982 -2.982 273 HA VAL 27 HA VAL 27 -2.688 -1.706 -1.706 274 HB VAL 27 HB VAL 27 -2.589 -3.946 -3.946 275 1HG1 VAL 27 HG12 VAL 27 -0.478 -2.576 -2.576 276 2HG1 VAL 27 HG11 VAL 27 -0.711 -3.683 -3.683 277 3HG1 VAL 27 HG13 VAL 27 -0.415 -4.319 -4.319 278 1HG2 VAL 27 HG21 VAL 27 -2.900 -4.008 -4.008 279 2HG2 VAL 27 HG23 VAL 27 -4.141 -4.460 -4.460 280 3HG2 VAL 27 HG22 VAL 27 -2.672 -5.423 -5.423 281 H LEU 28 HN LEU 28 -1.952 0.197 0.197 282 HA LEU 28 HA LEU 28 -1.712 0.751 0.751 283 1HB LEU 28 HB2 LEU 28 -0.404 2.568 2.568 284 2HB LEU 28 HB1 LEU 28 -1.342 2.971 2.971 285 HG LEU 28 HG LEU 28 -3.155 1.747 1.747 286 1HD1 LEU 28 HD11 LEU 28 -1.284 3.753 3.753 287 2HD1 LEU 28 HD13 LEU 28 -2.890 3.408 3.408 288 3HD1 LEU 28 HD12 LEU 28 -1.676 2.133 2.133 289 1HD2 LEU 28 HD22 LEU 28 -3.046 3.961 3.961 290 2HD2 LEU 28 HD21 LEU 28 -4.400 3.542 3.542 291 3HD2 LEU 28 HD23 LEU 28 -3.179 4.686 4.686 292 H ASN 29 HN ASN 29 0.275 -0.224 -0.224 293 HA ASN 29 HA ASN 29 2.463 -0.902 -0.902 294 1HB ASN 29 HB2 ASN 29 2.507 1.682 1.682 295 2HB ASN 29 HB1 ASN 29 3.473 0.872 0.872 296 1HD2 ASN 29 HD22 ASN 29 5.725 1.838 1.838 297 2HD2 ASN 29 HD21 ASN 29 4.689 2.701 2.701 298 H GLU 30 HN GLU 30 4.516 -1.430 -1.430 299 HA GLU 30 HA GLU 30 3.537 -2.830 -2.830 300 1HB GLU 30 HB2 GLU 30 3.976 -4.182 -4.182 301 2HB GLU 30 HB1 GLU 30 5.546 -4.324 -4.324 302 1HG GLU 30 HG2 GLU 30 4.134 -4.973 -4.973 303 2HG GLU 30 HG1 GLU 30 2.871 -5.323 -5.323 304 H GLU 31 HN GLU 31 4.744 -0.597 -0.597 305 HA GLU 31 HA GLU 31 7.682 -0.856 -0.856 306 1HB GLU 31 HB2 GLU 31 5.839 1.298 1.298 307 2HB GLU 31 HB1 GLU 31 7.599 1.393 1.393 308 1HG GLU 31 HG2 GLU 31 7.497 1.059 1.059 309 2HG GLU 31 HG1 GLU 31 5.742 1.205 1.205 310 H CYS 32 HN CYS 32 8.614 -0.030 -0.030 311 HA CYS 32 HA CYS 32 9.001 -0.579 -0.579 312 1HB CYS 32 HB2 CYS 32 6.320 0.039 0.039 313 2HB CYS 32 HB1 CYS 32 6.278 -1.597 -1.597 314 HG CYS 32 HG CYS 32 8.238 -0.428 -0.428 315 H ASP 33 HN ASP 33 8.096 -2.602 -2.602 316 HA ASP 33 HA ASP 33 9.542 -4.821 -4.821 317 1HB ASP 33 HB2 ASP 33 7.997 -4.203 -4.203 318 2HB ASP 33 HB1 ASP 33 6.914 -5.324 -5.324 319 H GLN 34 HN GLN 34 8.804 -7.061 -7.061 320 HA GLN 34 HA GLN 34 7.209 -6.924 -6.924 321 1HB GLN 34 HB2 GLN 34 9.488 -8.260 -8.260 322 2HB GLN 34 HB1 GLN 34 8.333 -9.514 -9.514 323 1HG GLN 34 HG2 GLN 34 7.161 -8.891 -8.891 324 2HG GLN 34 HG1 GLN 34 8.723 -8.185 -8.185 325 1HE2 GLN 34 HE22 GLN 34 8.571 -11.883 -11.883 326 2HE2 GLN 34 HE21 GLN 34 7.487 -10.610 -10.610 327 H ASN 35 HN ASN 35 6.144 -6.872 -6.872 328 HA ASN 35 HA ASN 35 4.243 -9.110 -9.110 329 1HB ASN 35 HB2 ASN 35 5.265 -7.752 -7.752 330 2HB ASN 35 HB1 ASN 35 3.925 -8.906 -8.906 331 1HD2 ASN 35 HD22 ASN 35 6.354 -11.429 -11.429 332 2HD2 ASN 35 HD21 ASN 35 5.004 -10.619 -10.619 333 H TRP 36 HN TRP 36 4.594 -5.723 -5.723 334 HA TRP 36 HA TRP 36 1.610 -5.489 -5.489 335 1HB TRP 36 HB2 TRP 36 3.593 -3.257 -3.257 336 2HB TRP 36 HB1 TRP 36 1.847 -3.222 -3.222 337 HD1 TRP 36 HD1 TRP 36 4.625 -5.745 -5.745 338 HE1 TRP 36 HE1 TRP 36 4.401 -6.082 -6.082 339 HE3 TRP 36 HE3 TRP 36 0.664 -2.589 -2.589 340 HZ2 TRP 36 HZ2 TRP 36 2.866 -5.160 -5.160 341 HZ3 TRP 36 HZ3 TRP 36 -0.086 -2.339 -2.339 342 HH2 TRP 36 HH2 TRP 36 0.993 -3.625 -3.625 343 H TYR 37 HN TYR 37 0.558 -4.596 -4.596 344 HA TYR 37 HA TYR 37 2.071 -3.949 -3.949 345 1HB TYR 37 HB2 TYR 37 -0.900 -4.176 -4.176 346 2HB TYR 37 HB1 TYR 37 -0.233 -3.800 -3.800 347 HD1 TYR 37 HD1 TYR 37 2.159 -5.696 -5.696 348 HD2 TYR 37 HD2 TYR 37 -1.954 -6.224 -6.224 349 HE1 TYR 37 HE1 TYR 37 2.329 -8.115 -8.115 350 HE2 TYR 37 HE2 TYR 37 -1.794 -8.639 -8.639 351 HH TYR 37 HH TYR 37 -0.332 -10.092 -10.092 352 H LYS 38 HN LYS 38 0.775 -2.154 -2.154 353 HA LYS 38 HA LYS 38 0.269 0.237 0.237 354 1HB LYS 38 HB2 LYS 38 2.498 0.309 0.309 355 2HB LYS 38 HB1 LYS 38 1.525 0.303 0.303 356 1HG LYS 38 HG2 LYS 38 0.293 2.240 2.240 357 2HG LYS 38 HG1 LYS 38 2.002 2.467 2.467 358 1HD LYS 38 HD2 LYS 38 1.839 2.058 2.058 359 2HD LYS 38 HD1 LYS 38 0.545 3.183 3.183 360 1HE LYS 38 HE2 LYS 38 2.276 4.478 4.478 361 2HE LYS 38 HE1 LYS 38 3.497 3.470 3.470 362 1HZ LYS 38 HZ3 LYS 38 2.427 4.187 4.187 363 2HZ LYS 38 HZ2 LYS 38 1.620 5.380 5.380 364 3HZ LYS 38 HZ1 LYS 38 3.317 5.368 5.368 365 H ALA 39 HN ALA 39 -1.838 0.929 0.929 366 HA ALA 39 HA ALA 39 -2.987 0.507 0.507 367 1HB ALA 39 HB3 ALA 39 -3.277 -1.640 -1.640 368 2HB ALA 39 HB2 ALA 39 -4.170 -0.800 -0.800 369 3HB ALA 39 HB1 ALA 39 -4.820 -0.864 -0.864 370 H GLU 40 HN GLU 40 -5.522 0.912 0.912 371 HA GLU 40 HA GLU 40 -5.872 3.249 3.249 372 1HB GLU 40 HB2 GLU 40 -5.435 4.750 4.750 373 2HB GLU 40 HB1 GLU 40 -4.833 3.435 3.435 374 1HG GLU 40 HG2 GLU 40 -7.032 3.212 3.212 375 2HG GLU 40 HG1 GLU 40 -7.728 4.396 4.396 376 H LEU 41 HN LEU 41 -7.800 3.505 3.505 377 HA LEU 41 HA LEU 41 -9.976 1.864 1.864 378 1HB LEU 41 HB2 LEU 41 -9.431 2.940 2.940 379 2HB LEU 41 HB1 LEU 41 -11.124 2.769 2.769 380 HG LEU 41 HG LEU 41 -9.184 0.562 0.562 381 1HD1 LEU 41 HD13 LEU 41 -9.411 1.510 1.510 382 2HD1 LEU 41 HD12 LEU 41 -10.866 0.511 0.511 383 3HD1 LEU 41 HD11 LEU 41 -9.289 -0.216 -0.216 384 1HD2 LEU 41 HD23 LEU 41 -11.515 0.713 0.713 385 2HD2 LEU 41 HD22 LEU 41 -11.182 -0.758 -0.758 386 3HD2 LEU 41 HD21 LEU 41 -12.133 0.541 0.541 387 H ASN 42 HN ASN 42 -10.685 2.897 2.897 388 HA ASN 42 HA ASN 42 -11.726 4.572 4.572 389 1HB ASN 42 HB2 ASN 42 -13.131 4.206 4.206 390 2HB ASN 42 HB1 ASN 42 -13.649 5.555 5.555 391 1HD2 ASN 42 HD22 ASN 42 -14.779 1.830 1.830 392 2HD2 ASN 42 HD21 ASN 42 -14.071 2.223 2.223 393 H GLY 43 HN GLY 43 -9.458 5.718 5.718 394 1HA GLY 43 HA2 GLY 43 -9.296 8.309 8.309 395 2HA GLY 43 HA1 GLY 43 -10.464 8.425 8.425 396 H LYS 44 HN LYS 44 -9.282 6.413 6.413 397 HA LYS 44 HA LYS 44 -7.030 7.951 7.951 398 1HB LYS 44 HB2 LYS 44 -8.846 5.853 5.853 399 2HB LYS 44 HB1 LYS 44 -7.220 6.028 6.028 400 1HG LYS 44 HG2 LYS 44 -7.597 8.119 8.119 401 2HG LYS 44 HG1 LYS 44 -8.782 8.518 8.518 402 1HD LYS 44 HD2 LYS 44 -9.268 6.544 6.544 403 2HD LYS 44 HD1 LYS 44 -9.821 8.219 8.219 404 1HE LYS 44 HE2 LYS 44 -10.557 6.849 6.849 405 2HE LYS 44 HE1 LYS 44 -11.207 6.034 6.034 406 1HZ LYS 44 HZ3 LYS 44 -11.866 8.395 8.395 407 2HZ LYS 44 HZ2 LYS 44 -11.660 8.797 8.797 408 3HZ LYS 44 HZ1 LYS 44 -12.797 7.619 7.619 409 H ASP 45 HN ASP 45 -5.260 6.484 6.484 410 HA ASP 45 HA ASP 45 -4.748 4.080 4.080 411 1HB ASP 45 HB2 ASP 45 -3.458 4.740 4.740 412 2HB ASP 45 HB1 ASP 45 -4.512 6.131 6.131 413 H GLY 46 HN GLY 46 -2.218 3.584 3.584 414 1HA GLY 46 HA2 GLY 46 -0.208 4.324 4.324 415 2HA GLY 46 HA1 GLY 46 -1.316 4.344 4.344 416 H PHE 47 HN PHE 47 0.659 2.860 2.860 417 HA PHE 47 HA PHE 47 0.853 0.227 0.227 418 1HB PHE 47 HB2 PHE 47 1.578 1.275 1.275 419 2HB PHE 47 HB1 PHE 47 2.119 -0.262 -0.262 420 HD1 PHE 47 HD1 PHE 47 3.035 0.035 0.035 421 HD2 PHE 47 HD2 PHE 47 3.100 3.021 3.021 422 HE1 PHE 47 HE1 PHE 47 4.884 1.201 1.201 423 HE2 PHE 47 HE2 PHE 47 4.951 4.187 4.187 424 HZ PHE 47 HZ PHE 47 5.843 3.277 3.277 425 H ILE 48 HN ILE 48 0.147 -1.818 -1.818 426 HA ILE 48 HA ILE 48 -1.849 -1.762 -1.762 427 HB ILE 48 HB ILE 48 -3.393 -3.202 -3.202 428 1HG1 ILE 48 HG12 ILE 48 -1.765 -1.900 -1.900 429 2HG1 ILE 48 HG11 ILE 48 -1.704 -3.611 -3.611 430 1HG2 ILE 48 HG23 ILE 48 -3.659 -0.717 -0.717 431 2HG2 ILE 48 HG22 ILE 48 -3.110 -0.383 -0.383 432 3HG2 ILE 48 HG21 ILE 48 -4.585 -1.312 -1.312 433 1HD1 ILE 48 HD13 ILE 48 -4.449 -2.676 -2.676 434 2HD1 ILE 48 HD12 ILE 48 -3.452 -2.439 -2.439 435 3HD1 ILE 48 HD11 ILE 48 -3.617 -4.048 -4.048 436 HA PRO 49 HA PRO 49 0.593 -5.450 -5.450 437 1HB PRO 49 HB2 PRO 49 -0.892 -6.609 -6.609 438 2HB PRO 49 HB1 PRO 49 0.334 -5.357 -5.357 439 1HG PRO 49 HG2 PRO 49 -2.665 -5.106 -5.106 440 2HG PRO 49 HG1 PRO 49 -1.469 -4.152 -4.152 441 1HD PRO 49 HD2 PRO 49 -2.724 -3.269 -3.269 442 2HD PRO 49 HD1 PRO 49 -1.223 -2.625 -2.625 443 H LYS 50 HN LYS 50 0.412 -6.923 -6.923 444 HA LYS 50 HA LYS 50 -1.910 -7.812 -7.812 445 1HB LYS 50 HB2 LYS 50 0.389 -8.041 -8.041 446 2HB LYS 50 HB1 LYS 50 0.700 -9.247 -9.247 447 1HG LYS 50 HG2 LYS 50 -1.142 -10.629 -10.629 448 2HG LYS 50 HG1 LYS 50 -1.188 -9.470 -9.470 449 1HD LYS 50 HD2 LYS 50 0.884 -10.103 -10.103 450 2HD LYS 50 HD1 LYS 50 1.502 -10.502 -10.502 451 1HE LYS 50 HE2 LYS 50 1.233 -12.653 -12.653 452 2HE LYS 50 HE1 LYS 50 -0.445 -12.391 -12.391 453 1HZ LYS 50 HZ2 LYS 50 -0.910 -11.651 -11.651 454 2HZ LYS 50 HZ1 LYS 50 0.695 -11.988 -11.988 455 3HZ LYS 50 HZ3 LYS 50 -0.334 -13.249 -13.249 456 H ASN 51 HN ASN 51 -0.800 -8.831 -8.831 457 HA ASN 51 HA ASN 51 -1.831 -11.403 -11.403 458 1HB ASN 51 HB2 ASN 51 -1.028 -9.407 -9.407 459 2HB ASN 51 HB1 ASN 51 -2.008 -10.705 -10.705 460 1HD2 ASN 51 HD22 ASN 51 1.623 -11.727 -11.727 461 2HD2 ASN 51 HD21 ASN 51 0.740 -10.445 -10.445 462 H TYR 52 HN TYR 52 -3.306 -8.319 -8.319 463 HA TYR 52 HA TYR 52 -5.921 -9.483 -9.483 464 1HB TYR 52 HB2 TYR 52 -4.870 -6.655 -6.655 465 2HB TYR 52 HB1 TYR 52 -6.574 -6.999 -6.999 466 HD1 TYR 52 HD2 TYR 52 -3.420 -8.328 -8.328 467 HD2 TYR 52 HD1 TYR 52 -7.284 -6.609 -6.609 468 HE1 TYR 52 HE2 TYR 52 -3.111 -8.367 -8.367 469 HE2 TYR 52 HE1 TYR 52 -6.979 -6.615 -6.615 470 HH TYR 52 HH TYR 52 -4.370 -8.313 -8.313 471 H ILE 53 HN ILE 53 -4.540 -9.795 -9.795 472 HA ILE 53 HA ILE 53 -6.681 -8.899 -8.899 473 HB ILE 53 HB ILE 53 -4.116 -8.072 -8.072 474 1HG1 ILE 53 HG12 ILE 53 -5.477 -6.291 -6.291 475 2HG1 ILE 53 HG11 ILE 53 -4.026 -7.225 -7.225 476 1HG2 ILE 53 HG23 ILE 53 -6.942 -7.224 -7.224 477 2HG2 ILE 53 HG22 ILE 53 -5.717 -6.038 -6.038 478 3HG2 ILE 53 HG21 ILE 53 -5.826 -7.530 -7.530 479 1HD1 ILE 53 HD12 ILE 53 -3.373 -6.019 -6.019 480 2HD1 ILE 53 HD11 ILE 53 -4.343 -4.782 -4.782 481 3HD1 ILE 53 HD13 ILE 53 -2.910 -5.425 -5.425 482 H GLU 54 HN GLU 54 -6.177 -9.420 -9.420 483 HA GLU 54 HA GLU 54 -4.319 -11.527 -11.527 484 1HB GLU 54 HB2 GLU 54 -7.130 -12.029 -12.029 485 2HB GLU 54 HB1 GLU 54 -6.617 -12.448 -12.448 486 1HG GLU 54 HG2 GLU 54 -4.638 -13.657 -13.657 487 2HG GLU 54 HG1 GLU 54 -5.638 -13.561 -13.561 488 H MET 55 HN MET 55 -4.072 -11.810 -11.810 489 HA MET 55 HA MET 55 -4.631 -9.214 -9.214 490 1HB MET 55 HB2 MET 55 -2.308 -10.475 -10.475 491 2HB MET 55 HB1 MET 55 -2.901 -11.291 -11.291 492 1HG MET 55 HG2 MET 55 -3.515 -8.764 -8.764 493 2HG MET 55 HG1 MET 55 -2.153 -8.432 -8.432 494 1HE MET 55 HE2 MET 55 -2.963 -8.276 -8.276 495 2HE MET 55 HE1 MET 55 -1.973 -9.287 -9.287 496 3HE MET 55 HE3 MET 55 -3.351 -9.985 -9.985 497 H LYS 56 HN LYS 56 -6.488 -9.169 -9.169 498 HA LYS 56 HA LYS 56 -7.166 -11.509 -11.509 499 1HB LYS 56 HB2 LYS 56 -8.711 -9.407 -9.407 500 2HB LYS 56 HB1 LYS 56 -9.330 -10.041 -10.041 501 1HG LYS 56 HG2 LYS 56 -8.745 -12.363 -12.363 502 2HG LYS 56 HG1 LYS 56 -8.848 -11.455 -11.455 503 1HD LYS 56 HD2 LYS 56 -11.026 -11.547 -11.547 504 2HD LYS 56 HD1 LYS 56 -11.023 -12.522 -12.522 505 1HE LYS 56 HE2 LYS 56 -11.387 -10.684 -10.684 506 2HE LYS 56 HE1 LYS 56 -10.720 -9.544 -9.544 507 1HZ LYS 56 HZ2 LYS 56 -13.126 -11.052 -11.052 508 2HZ LYS 56 HZ1 LYS 56 -13.291 -9.767 -9.767 509 3HZ LYS 56 HZ3 LYS 56 -12.651 -9.482 -9.482 510 HA PRO 57 HA PRO 57 -6.421 -9.391 -9.391 511 1HB PRO 57 HB2 PRO 57 -8.139 -10.629 -10.629 512 2HB PRO 57 HB1 PRO 57 -6.624 -11.344 -11.344 513 1HG PRO 57 HG2 PRO 57 -9.399 -11.943 -11.943 514 2HG PRO 57 HG1 PRO 57 -7.973 -12.960 -12.960 515 1HD PRO 57 HD2 PRO 57 -9.151 -11.603 -11.603 516 2HD PRO 57 HD1 PRO 57 -7.557 -12.388 -12.388 517 H HIS 58 HN HIS 58 -8.084 -8.690 -8.690 518 HA HIS 58 HA HIS 58 -9.719 -6.570 -6.570 519 1HB HIS 58 HB2 HIS 58 -9.984 -5.795 -5.795 520 2HB HIS 58 HB1 HIS 58 -8.305 -5.902 -5.902 521 HD1 HIS 58 HD1 HIS 58 -10.810 -7.520 -7.520 522 HD2 HIS 58 HD2 HIS 58 -6.799 -7.988 -7.988 523 HE1 HIS 58 HE1 HIS 58 -9.805 -9.096 -9.096 524 HA PRO 59 HA PRO 59 -13.233 -9.346 -9.346 525 1HB PRO 59 HB2 PRO 59 -15.064 -7.881 -7.881 526 2HB PRO 59 HB1 PRO 59 -13.898 -8.991 -8.991 527 1HG PRO 59 HG2 PRO 59 -13.876 -6.006 -6.006 528 2HG PRO 59 HG1 PRO 59 -13.150 -7.115 -7.115 529 1HD PRO 59 HD2 PRO 59 -11.772 -5.747 -5.747 530 2HD PRO 59 HD1 PRO 59 -11.132 -7.081 -7.081 531 H GLU 60 HN GLU 60 -15.314 -9.146 -9.146 532 HA GLU 60 HA GLU 60 -15.364 -6.783 -6.783 533 1HB GLU 60 HB2 GLU 60 -16.154 -9.639 -9.639 534 2HB GLU 60 HB1 GLU 60 -17.197 -8.481 -8.481 535 1HG GLU 60 HG2 GLU 60 -15.649 -8.744 -8.744 536 2HG GLU 60 HG1 GLU 60 -14.795 -7.509 -7.509 537 H PHE 61 HN PHE 61 -16.578 -5.214 -5.214 538 HA PHE 61 HA PHE 61 -18.472 -4.154 -4.154 539 1HB PHE 61 HB2 PHE 61 -19.575 -6.421 -6.421 540 2HB PHE 61 HB1 PHE 61 -20.671 -5.615 -5.615 541 HD1 PHE 61 HD1 PHE 61 -20.693 -3.000 -3.000 542 HD2 PHE 61 HD2 PHE 61 -19.180 -5.486 -5.486 543 HE1 PHE 61 HE1 PHE 61 -20.949 -1.122 -1.122 544 HE2 PHE 61 HE2 PHE 61 -19.437 -3.609 -3.609 545 HZ PHE 61 HZ PHE 61 -20.321 -1.427 -1.427 546 H ILE 62 HN ILE 62 -20.199 -4.434 -4.434 547 HA ILE 62 HA ILE 62 -19.406 -6.611 -6.611 548 HB ILE 62 HB ILE 62 -20.262 -5.066 -5.066 549 1HG1 ILE 62 HG12 ILE 62 -20.313 -3.012 -3.012 550 2HG1 ILE 62 HG11 ILE 62 -21.763 -3.797 -3.797 551 1HG2 ILE 62 HG22 ILE 62 -17.829 -5.129 -5.129 552 2HG2 ILE 62 HG21 ILE 62 -18.260 -3.460 -3.460 553 3HG2 ILE 62 HG23 ILE 62 -18.227 -4.008 -4.008 554 1HD1 ILE 62 HD11 ILE 62 -20.701 -3.009 -3.009 555 2HD1 ILE 62 HD13 ILE 62 -19.994 -1.773 -1.773 556 3HD1 ILE 62 HD12 ILE 62 -21.746 -1.954 -1.954 557 H VAL 63 HN VAL 63 -22.082 -5.011 -5.011 558 HA VAL 63 HA VAL 63 -24.249 -6.058 -6.058 559 HB VAL 63 HB VAL 63 -24.201 -5.574 -5.574 560 1HG1 VAL 63 HG12 VAL 63 -26.179 -6.714 -6.714 561 2HG1 VAL 63 HG11 VAL 63 -26.555 -5.023 -5.023 562 3HG1 VAL 63 HG13 VAL 63 -26.500 -5.607 -5.607 563 1HG2 VAL 63 HG21 VAL 63 -24.183 -3.738 -3.738 564 2HG2 VAL 63 HG23 VAL 63 -23.546 -3.488 -3.488 565 3HG2 VAL 63 HG22 VAL 63 -25.275 -3.326 -3.326 566 H THR 64 HN THR 64 -24.464 -8.199 -8.199 567 HA THR 64 HA THR 64 -23.651 -10.215 -10.215 568 HB THR 64 HB THR 64 -24.391 -11.761 -11.761 569 HG1 THR 64 HG1 THR 64 -24.990 -10.680 -10.680 570 1HG2 THR 64 HG23 THR 64 -21.948 -10.124 -10.124 571 2HG2 THR 64 HG22 THR 64 -22.083 -10.948 -10.948 572 3HG2 THR 64 HG21 THR 64 -22.133 -11.878 -11.878 573 H ASP 65 HN ASP 65 -26.514 -8.905 -8.905 574 HA ASP 65 HA ASP 65 -28.367 -10.950 -10.950 575 1HB ASP 65 HB2 ASP 65 -28.795 -9.095 -9.095 576 2HB ASP 65 HB1 ASP 65 -28.973 -7.997 -7.997 577 1H SER 1 HT2 SER 1 1.153 -14.701 -14.701 578 2H SER 1 HT1 SER 1 2.207 -14.301 -14.301 579 3H SER 1 HT3 SER 1 2.822 -14.581 -14.581 580 HA SER 1 HA SER 1 2.791 -16.799 -16.799 581 1HB SER 1 HB2 SER 1 3.120 -15.549 -15.549 582 2HB SER 1 HB1 SER 1 2.579 -17.221 -17.221 583 HG SER 1 HG SER 1 4.947 -16.152 -16.152 584 HA PRO 2 HA PRO 2 -1.270 -18.093 -18.093 585 1HB PRO 2 HB2 PRO 2 -2.856 -16.181 -16.181 586 2HB PRO 2 HB1 PRO 2 -1.592 -17.078 -17.078 587 1HG PRO 2 HG2 PRO 2 -1.572 -14.243 -14.243 588 2HG PRO 2 HG1 PRO 2 -0.663 -14.994 -14.994 589 1HD PRO 2 HD2 PRO 2 0.348 -14.360 -14.360 590 2HD PRO 2 HD1 PRO 2 1.154 -15.356 -15.356 591 H LEU 3 HN LEU 3 -2.651 -14.836 -14.836 592 HA LEU 3 HA LEU 3 -3.283 -15.202 -15.202 593 1HB LEU 3 HB2 LEU 3 -4.905 -16.712 -16.712 594 2HB LEU 3 HB1 LEU 3 -5.861 -15.252 -15.252 595 HG LEU 3 HG LEU 3 -4.581 -16.843 -16.843 596 1HD1 LEU 3 HD11 LEU 3 -7.382 -16.919 -16.919 597 2HD1 LEU 3 HD13 LEU 3 -6.976 -17.548 -17.548 598 3HD1 LEU 3 HD12 LEU 3 -6.250 -18.262 -18.262 599 1HD2 LEU 3 HD22 LEU 3 -6.663 -14.635 -14.635 600 2HD2 LEU 3 HD21 LEU 3 -5.012 -14.492 -14.492 601 3HD2 LEU 3 HD23 LEU 3 -6.172 -15.511 -15.511 602 H LEU 4 HN LEU 4 -3.605 -13.207 -13.207 603 HA LEU 4 HA LEU 4 -3.865 -10.888 -10.888 604 1HB LEU 4 HB2 LEU 4 -6.197 -12.054 -12.054 605 2HB LEU 4 HB1 LEU 4 -5.919 -10.414 -10.414 606 HG LEU 4 HG LEU 4 -5.768 -9.649 -9.649 607 1HD1 LEU 4 HD13 LEU 4 -6.400 -12.559 -12.559 608 2HD1 LEU 4 HD12 LEU 4 -6.771 -11.319 -11.319 609 3HD1 LEU 4 HD11 LEU 4 -5.101 -11.592 -11.592 610 1HD2 LEU 4 HD22 LEU 4 -7.911 -9.556 -9.556 611 2HD2 LEU 4 HD21 LEU 4 -8.174 -9.778 -9.778 612 3HD2 LEU 4 HD23 LEU 4 -8.325 -11.150 -11.150 613 HA PRO 5 HA PRO 5 -1.894 -10.217 -10.217 614 1HB PRO 5 HB2 PRO 5 0.770 -10.592 -10.592 615 2HB PRO 5 HB1 PRO 5 -0.276 -11.893 -11.893 616 1HG PRO 5 HG2 PRO 5 0.786 -11.417 -11.417 617 2HG PRO 5 HG1 PRO 5 0.297 -12.934 -12.934 618 1HD PRO 5 HD2 PRO 5 -1.233 -11.439 -11.439 619 2HD PRO 5 HD1 PRO 5 -1.788 -12.794 -12.794 620 H LYS 6 HN LYS 6 0.657 -8.796 -8.796 621 HA LYS 6 HA LYS 6 -0.216 -6.342 -6.342 622 1HB LYS 6 HB2 LYS 6 1.419 -6.957 -6.957 623 2HB LYS 6 HB1 LYS 6 2.471 -6.175 -6.175 624 1HG LYS 6 HG2 LYS 6 0.268 -4.577 -4.577 625 2HG LYS 6 HG1 LYS 6 0.188 -5.062 -5.062 626 1HD LYS 6 HD2 LYS 6 2.827 -4.180 -4.180 627 2HD LYS 6 HD1 LYS 6 1.623 -2.955 -2.955 628 1HE LYS 6 HE2 LYS 6 2.440 -3.088 -3.088 629 2HE LYS 6 HE1 LYS 6 1.538 -4.599 -4.599 630 1HZ LYS 6 HZ3 LYS 6 3.612 -5.625 -5.625 631 2HZ LYS 6 HZ2 LYS 6 4.402 -4.193 -4.193 632 3HZ LYS 6 HZ1 LYS 6 3.688 -5.190 -5.190 633 H LEU 7 HN LEU 7 0.932 -8.981 -8.981 634 HA LEU 7 HA LEU 7 2.169 -9.503 -9.503 635 1HB LEU 7 HB2 LEU 7 1.797 -6.537 -6.537 636 2HB LEU 7 HB1 LEU 7 2.644 -7.531 -7.531 637 HG LEU 7 HG LEU 7 -0.190 -8.014 -8.014 638 1HD1 LEU 7 HD13 LEU 7 0.970 -6.620 -6.620 639 2HD1 LEU 7 HD12 LEU 7 -0.485 -7.585 -7.585 640 3HD1 LEU 7 HD11 LEU 7 -0.494 -6.254 -6.254 641 1HD2 LEU 7 HD22 LEU 7 1.593 -9.473 -9.473 642 2HD2 LEU 7 HD21 LEU 7 0.748 -10.144 -10.144 643 3HD2 LEU 7 HD23 LEU 7 -0.163 -9.636 -9.636 644 HA PRO 8 HA PRO 8 6.122 -8.285 -8.285 645 1HB PRO 8 HB2 PRO 8 6.666 -10.711 -10.711 646 2HB PRO 8 HB1 PRO 8 5.723 -9.448 -9.448 647 1HG PRO 8 HG2 PRO 8 4.774 -12.009 -12.009 648 2HG PRO 8 HG1 PRO 8 4.027 -11.022 -11.022 649 1HD PRO 8 HD2 PRO 8 3.274 -11.104 -11.104 650 2HD PRO 8 HD1 PRO 8 2.673 -9.986 -9.986 651 HA PRO 9 HA PRO 9 8.319 -10.428 -10.428 652 1HB PRO 9 HB2 PRO 9 10.911 -10.134 -10.134 653 2HB PRO 9 HB1 PRO 9 9.971 -8.818 -8.818 654 1HG PRO 9 HG2 PRO 9 10.706 -9.237 -9.237 655 2HG PRO 9 HG1 PRO 9 10.336 -7.729 -7.729 656 1HD PRO 9 HD2 PRO 9 8.573 -9.150 -9.150 657 2HD PRO 9 HD1 PRO 9 8.129 -7.820 -7.820 658 H LYS 10 HN LYS 10 8.160 -12.671 -12.671 659 HA LYS 10 HA LYS 10 8.536 -14.428 -14.428 660 1HB LYS 10 HB2 LYS 10 7.508 -14.794 -14.794 661 2HB LYS 10 HB1 LYS 10 9.123 -15.427 -15.427 662 1HG LYS 10 HG2 LYS 10 8.930 -17.056 -17.056 663 2HG LYS 10 HG1 LYS 10 7.447 -16.315 -16.315 664 1HD LYS 10 HD2 LYS 10 6.215 -16.984 -16.984 665 2HD LYS 10 HD1 LYS 10 7.689 -17.473 -17.473 666 1HE LYS 10 HE2 LYS 10 6.547 -19.457 -19.457 667 2HE LYS 10 HE1 LYS 10 8.060 -19.223 -19.223 668 1HZ LYS 10 HZ3 LYS 10 6.823 -18.132 -18.132 669 2HZ LYS 10 HZ2 LYS 10 5.367 -18.373 -18.373 670 3HZ LYS 10 HZ1 LYS 10 6.244 -19.705 -19.705 671 H THR 11 HN THR 11 10.277 -16.134 -16.134 672 HA THR 11 HA THR 11 12.897 -15.438 -15.438 673 HB THR 11 HB THR 11 12.883 -15.664 -15.664 674 HG1 THR 11 HG1 THR 11 11.732 -13.942 -13.942 675 1HG2 THR 11 HG21 THR 11 14.458 -14.105 -14.105 676 2HG2 THR 11 HG23 THR 11 14.725 -13.982 -13.982 677 3HG2 THR 11 HG22 THR 11 15.002 -15.514 -15.514 678 H TYR 12 HN TYR 12 11.732 -17.295 -17.295 679 HA TYR 12 HA TYR 12 12.597 -19.796 -19.796 680 1HB TYR 12 HB2 TYR 12 13.461 -20.447 -20.447 681 2HB TYR 12 HB1 TYR 12 14.516 -19.656 -19.656 682 HD1 TYR 12 HD1 TYR 12 11.989 -18.774 -18.774 683 HD2 TYR 12 HD2 TYR 12 15.661 -17.741 -17.741 684 HE1 TYR 12 HE1 TYR 12 12.291 -16.868 -16.868 685 HE2 TYR 12 HE2 TYR 12 15.965 -15.837 -15.837 686 HH TYR 12 HH TYR 12 15.249 -15.110 -15.110 687 H LYS 13 HN LYS 13 12.015 -21.706 -21.706 688 HA LYS 13 HA LYS 13 9.155 -21.205 -21.205 689 1HB LYS 13 HB2 LYS 13 10.490 -23.880 -23.880 690 2HB LYS 13 HB1 LYS 13 8.761 -23.559 -23.559 691 1HG LYS 13 HG2 LYS 13 9.892 -21.839 -21.839 692 2HG LYS 13 HG1 LYS 13 10.359 -23.507 -23.507 693 1HD LYS 13 HD2 LYS 13 7.792 -23.958 -23.958 694 2HD LYS 13 HD1 LYS 13 7.635 -22.277 -22.277 695 1HE LYS 13 HE2 LYS 13 8.208 -22.740 -22.740 696 2HE LYS 13 HE1 LYS 13 9.289 -24.057 -24.057 697 1HZ LYS 13 HZ1 LYS 13 7.300 -25.371 -25.371 698 2HZ LYS 13 HZ3 LYS 13 6.322 -24.123 -24.123 699 3HZ LYS 13 HZ2 LYS 13 7.368 -24.959 -24.959 700 H ARG 14 HN ARG 14 8.742 -23.436 -23.436 701 HA ARG 14 HA ARG 14 10.211 -22.612 -22.612 702 1HB ARG 14 HB2 ARG 14 7.867 -24.514 -24.514 703 2HB ARG 14 HB1 ARG 14 8.493 -23.862 -23.862 704 1HG ARG 14 HG2 ARG 14 7.538 -21.807 -21.807 705 2HG ARG 14 HG1 ARG 14 7.776 -21.863 -21.863 706 1HD ARG 14 HD2 ARG 14 5.964 -23.707 -23.707 707 2HD ARG 14 HD1 ARG 14 5.584 -23.140 -23.140 708 HE ARG 14 HE ARG 14 5.127 -20.895 -20.895 709 1HH1 ARG 14 HH21 ARG 14 6.381 -21.921 -21.921 710 2HH1 ARG 14 HH22 ARG 14 4.949 -22.053 -22.053 711 1HH2 ARG 14 HH11 ARG 14 2.787 -21.842 -21.842 712 2HH2 ARG 14 HH12 ARG 14 2.914 -22.010 -22.010 713 H GLU 15 HN GLU 15 9.436 -25.596 -25.596 714 HA GLU 15 HA GLU 15 10.542 -27.665 -27.665 715 1HB GLU 15 HB2 GLU 15 12.892 -26.060 -26.060 716 2HB GLU 15 HB1 GLU 15 12.975 -27.637 -27.637 717 1HG GLU 15 HG2 GLU 15 12.595 -26.773 -26.773 718 2HG GLU 15 HG1 GLU 15 11.572 -25.472 -25.472 Start of MODEL 2 1 1H GLY -8 HT1 GLY -8 7.276 4.356 4.356 2 2H GLY -8 HT3 GLY -8 7.920 5.916 5.916 3 3H GLY -8 HT2 GLY -8 8.947 4.564 4.564 4 1HA GLY -8 HA1 GLY -8 8.232 4.278 4.278 5 2HA GLY -8 HA2 GLY -8 9.368 5.595 5.595 6 H SER -7 HN SER -7 5.962 5.704 5.704 7 HA SER -7 HA SER -7 5.079 6.173 6.173 8 1HB SER -7 HB2 SER -7 3.576 7.226 7.226 9 2HB SER -7 HB1 SER -7 3.696 7.891 7.891 10 HG SER -7 HG SER -7 5.140 9.128 9.128 11 H ARG -6 HN ARG -6 3.883 5.024 5.024 12 HA ARG -6 HA ARG -6 2.291 3.380 3.380 13 1HB ARG -6 HB2 ARG -6 3.823 2.379 2.379 14 2HB ARG -6 HB1 ARG -6 2.139 1.967 1.967 15 1HG ARG -6 HG2 ARG -6 3.287 1.503 1.503 16 2HG ARG -6 HG1 ARG -6 3.597 0.341 0.341 17 1HD ARG -6 HD2 ARG -6 0.940 0.657 0.657 18 2HD ARG -6 HD1 ARG -6 1.051 0.987 0.987 19 HE ARG -6 HE ARG -6 2.200 -1.518 -1.518 20 1HH1 ARG -6 HH11 ARG -6 2.726 -2.143 -2.143 21 2HH1 ARG -6 HH12 ARG -6 1.260 -2.492 -2.492 22 1HH2 ARG -6 HH21 ARG -6 -0.783 -0.948 -0.948 23 2HH2 ARG -6 HH22 ARG -6 -0.726 -1.816 -1.816 24 H ARG -5 HN ARG -5 0.469 4.733 4.733 25 HA ARG -5 HA ARG -5 -0.969 5.536 5.536 26 1HB ARG -5 HB2 ARG -5 -1.783 5.686 5.686 27 2HB ARG -5 HB1 ARG -5 -2.602 6.493 6.493 28 1HG ARG -5 HG2 ARG -5 -0.995 8.105 8.105 29 2HG ARG -5 HG1 ARG -5 0.316 6.984 6.984 30 1HD ARG -5 HD2 ARG -5 -1.625 7.758 7.758 31 2HD ARG -5 HD1 ARG -5 -0.308 8.852 8.852 32 HE ARG -5 HE ARG -5 1.224 6.848 6.848 33 1HH1 ARG -5 HH11 ARG -5 0.421 4.597 4.597 34 2HH1 ARG -5 HH12 ARG -5 -0.266 4.766 4.766 35 1HH2 ARG -5 HH21 ARG -5 -0.676 8.199 8.199 36 2HH2 ARG -5 HH22 ARG -5 -0.887 6.805 6.805 37 H ALA -4 HN ALA -4 -1.958 3.906 3.906 38 HA ALA -4 HA ALA -4 -4.113 2.422 2.422 39 1HB ALA -4 HB1 ALA -4 -1.589 1.083 1.083 40 2HB ALA -4 HB3 ALA -4 -3.124 0.218 0.218 41 3HB ALA -4 HB2 ALA -4 -2.471 0.823 0.823 42 H SER -3 HN SER -3 -3.880 4.377 4.377 43 HA SER -3 HA SER -3 -4.758 4.748 4.748 44 1HB SER -3 HB2 SER -3 -6.118 2.297 2.297 45 2HB SER -3 HB1 SER -3 -6.169 2.559 2.559 46 HG SER -3 HG SER -3 -7.811 3.596 3.596 47 H VAL -2 HN VAL -2 -4.745 3.753 3.753 48 HA VAL -2 HA VAL -2 -2.074 2.793 2.793 49 HB VAL -2 HB VAL -2 -4.482 2.857 2.857 50 1HG1 VAL -2 HG11 VAL -2 -1.492 2.693 2.693 51 2HG1 VAL -2 HG13 VAL -2 -2.620 3.155 3.155 52 3HG1 VAL -2 HG12 VAL -2 -2.728 1.556 1.556 53 1HG2 VAL -2 HG21 VAL -2 -3.777 5.040 5.040 54 2HG2 VAL -2 HG23 VAL -2 -3.924 5.090 5.090 55 3HG2 VAL -2 HG22 VAL -2 -2.332 4.965 4.965 56 H GLY -1 HN GLY -1 -1.512 0.730 0.730 57 1HA GLY -1 HA2 GLY -1 -3.471 -1.450 -1.450 58 2HA GLY -1 HA1 GLY -1 -1.741 -1.620 -1.620 59 H SER 0 HN SER 0 -3.940 -0.791 -0.791 60 HA SER 0 HA SER 0 -2.015 -2.087 -2.087 61 1HB SER 0 HB2 SER 0 -3.892 -1.055 -1.055 62 2HB SER 0 HB1 SER 0 -2.534 -0.102 -0.102 63 HG SER 0 HG SER 0 -5.198 -0.215 -0.215 64 H MET 1 HN MET 1 -3.047 -3.400 -3.400 65 HA MET 1 HA MET 1 -5.311 -5.024 -5.024 66 1HB MET 1 HB2 MET 1 -2.789 -5.769 -5.769 67 2HB MET 1 HB1 MET 1 -4.233 -6.724 -6.724 68 1HG MET 1 HG2 MET 1 -4.419 -7.488 -7.488 69 2HG MET 1 HG1 MET 1 -3.567 -6.101 -6.101 70 1HE MET 1 HE2 MET 1 -2.679 -7.496 -7.496 71 2HE MET 1 HE1 MET 1 -0.976 -7.118 -7.118 72 3HE MET 1 HE3 MET 1 -1.516 -8.803 -8.803 73 H GLU 2 HN GLU 2 -6.091 -6.398 -6.398 74 HA GLU 2 HA GLU 2 -6.706 -4.255 -4.255 75 1HB GLU 2 HB2 GLU 2 -8.464 -5.679 -5.679 76 2HB GLU 2 HB1 GLU 2 -8.680 -6.361 -6.361 77 1HG GLU 2 HG2 GLU 2 -9.392 -4.333 -4.333 78 2HG GLU 2 HG1 GLU 2 -8.597 -3.381 -3.381 79 H ALA 3 HN ALA 3 -7.524 -5.448 -5.448 80 HA ALA 3 HA ALA 3 -6.324 -8.063 -8.063 81 1HB ALA 3 HB3 ALA 3 -5.140 -5.524 -5.524 82 2HB ALA 3 HB2 ALA 3 -5.135 -6.917 -6.917 83 3HB ALA 3 HB1 ALA 3 -4.358 -7.027 -7.027 84 H ILE 4 HN ILE 4 -7.771 -9.063 -9.063 85 HA ILE 4 HA ILE 4 -9.973 -7.839 -7.839 86 HB ILE 4 HB ILE 4 -10.102 -10.052 -10.052 87 1HG1 ILE 4 HG12 ILE 4 -10.362 -10.793 -10.793 88 2HG1 ILE 4 HG11 ILE 4 -11.112 -9.245 -9.245 89 1HG2 ILE 4 HG21 ILE 4 -7.614 -10.465 -10.465 90 2HG2 ILE 4 HG23 ILE 4 -8.539 -11.277 -11.277 91 3HG2 ILE 4 HG22 ILE 4 -8.713 -11.776 -11.776 92 1HD1 ILE 4 HD13 ILE 4 -11.541 -11.743 -11.743 93 2HD1 ILE 4 HD12 ILE 4 -12.592 -11.247 -11.247 94 3HD1 ILE 4 HD11 ILE 4 -12.426 -10.225 -10.225 95 H ALA 5 HN ALA 5 -10.057 -6.854 -6.854 96 HA ALA 5 HA ALA 5 -7.928 -7.082 -7.082 97 1HB ALA 5 HB3 ALA 5 -10.665 -5.747 -5.747 98 2HB ALA 5 HB2 ALA 5 -9.671 -5.810 -5.810 99 3HB ALA 5 HB1 ALA 5 -9.079 -4.969 -4.969 100 H LYS 6 HN LYS 6 -7.874 -9.052 -9.052 101 HA LYS 6 HA LYS 6 -10.072 -10.871 -10.871 102 1HB LYS 6 HB2 LYS 6 -7.584 -10.765 -10.765 103 2HB LYS 6 HB1 LYS 6 -8.664 -12.152 -12.152 104 1HG LYS 6 HG2 LYS 6 -8.056 -12.523 -12.523 105 2HG LYS 6 HG1 LYS 6 -7.490 -10.868 -10.868 106 1HD LYS 6 HD2 LYS 6 -5.572 -12.347 -12.347 107 2HD LYS 6 HD1 LYS 6 -5.614 -11.341 -11.341 108 1HE LYS 6 HE2 LYS 6 -6.553 -13.143 -13.143 109 2HE LYS 6 HE1 LYS 6 -6.788 -14.134 -14.134 110 1HZ LYS 6 HZ1 LYS 6 -4.155 -13.212 -13.212 111 2HZ LYS 6 HZ3 LYS 6 -4.799 -14.761 -14.761 112 3HZ LYS 6 HZ2 LYS 6 -4.418 -14.239 -14.239 113 H TYR 7 HN TYR 7 -9.044 -8.309 -8.309 114 HA TYR 7 HA TYR 7 -11.501 -8.779 -8.779 115 1HB TYR 7 HB2 TYR 7 -8.923 -8.288 -8.288 116 2HB TYR 7 HB1 TYR 7 -10.403 -8.993 -8.993 117 HD1 TYR 7 HD1 TYR 7 -11.085 -11.296 -11.296 118 HD2 TYR 7 HD2 TYR 7 -7.149 -9.634 -9.634 119 HE1 TYR 7 HE1 TYR 7 -10.163 -13.566 -13.566 120 HE2 TYR 7 HE2 TYR 7 -6.218 -11.886 -11.886 121 HH TYR 7 HH TYR 7 -7.775 -14.345 -14.345 122 H ASP 8 HN ASP 8 -11.396 -7.008 -7.008 123 HA ASP 8 HA ASP 8 -11.347 -4.488 -4.488 124 1HB ASP 8 HB2 ASP 8 -12.442 -3.569 -3.569 125 2HB ASP 8 HB1 ASP 8 -13.159 -5.148 -5.148 126 H PHE 9 HN PHE 9 -10.178 -2.585 -2.585 127 HA PHE 9 HA PHE 9 -8.093 -2.739 -2.739 128 1HB PHE 9 HB2 PHE 9 -7.059 -4.333 -4.333 129 2HB PHE 9 HB1 PHE 9 -7.395 -3.319 -3.319 130 HD1 PHE 9 HD2 PHE 9 -5.257 -3.799 -3.799 131 HD2 PHE 9 HD1 PHE 9 -6.085 -1.400 -1.400 132 HE1 PHE 9 HE2 PHE 9 -3.022 -2.741 -2.741 133 HE2 PHE 9 HE1 PHE 9 -3.839 -0.334 -0.334 134 HZ PHE 9 HZ PHE 9 -2.314 -1.011 -1.011 135 H LYS 10 HN LYS 10 -6.612 -0.712 -0.712 136 HA LYS 10 HA LYS 10 -7.772 1.343 1.343 137 1HB LYS 10 HB2 LYS 10 -8.285 2.908 2.908 138 2HB LYS 10 HB1 LYS 10 -8.892 1.386 1.386 139 1HG LYS 10 HG2 LYS 10 -6.738 1.127 1.127 140 2HG LYS 10 HG1 LYS 10 -6.274 2.738 2.738 141 1HD LYS 10 HD2 LYS 10 -7.248 3.009 3.009 142 2HD LYS 10 HD1 LYS 10 -8.433 3.598 3.598 143 1HE LYS 10 HE2 LYS 10 -8.716 0.727 0.727 144 2HE LYS 10 HE1 LYS 10 -8.907 1.693 1.693 145 1HZ LYS 10 HZ1 LYS 10 -10.505 3.085 3.085 146 2HZ LYS 10 HZ3 LYS 10 -10.369 2.060 2.060 147 3HZ LYS 10 HZ2 LYS 10 -11.012 1.466 1.466 148 H ALA 11 HN ALA 11 -6.459 3.305 3.305 149 HA ALA 11 HA ALA 11 -3.766 2.636 2.636 150 1HB ALA 11 HB1 ALA 11 -5.205 4.589 4.589 151 2HB ALA 11 HB3 ALA 11 -4.629 5.462 5.462 152 3HB ALA 11 HB2 ALA 11 -3.471 4.848 4.848 153 H THR 12 HN THR 12 -1.957 2.708 2.708 154 HA THR 12 HA THR 12 -2.404 3.774 3.774 155 HB THR 12 HB THR 12 -0.766 2.200 2.200 156 HG1 THR 12 HG1 THR 12 0.448 0.973 0.973 157 1HG2 THR 12 HG22 THR 12 -3.121 1.387 1.387 158 2HG2 THR 12 HG21 THR 12 -2.374 0.645 0.645 159 3HG2 THR 12 HG23 THR 12 -1.884 0.146 0.146 160 H ALA 13 HN ALA 13 0.132 3.393 3.393 161 HA ALA 13 HA ALA 13 1.843 5.427 5.427 162 1HB ALA 13 HB1 ALA 13 1.890 3.854 3.854 163 2HB ALA 13 HB3 ALA 13 2.908 5.291 5.291 164 3HB ALA 13 HB2 ALA 13 3.105 3.940 3.940 165 H ASP 14 HN ASP 14 2.482 7.333 7.333 166 HA ASP 14 HA ASP 14 0.261 9.023 9.023 167 1HB ASP 14 HB2 ASP 14 2.745 9.432 9.432 168 2HB ASP 14 HB1 ASP 14 2.972 9.594 9.594 169 H ASP 15 HN ASP 15 1.912 6.809 6.809 170 HA ASP 15 HA ASP 15 0.519 7.903 7.903 171 1HB ASP 15 HB2 ASP 15 3.287 6.797 6.797 172 2HB ASP 15 HB1 ASP 15 2.431 6.713 6.713 173 H GLU 16 HN GLU 16 -0.533 5.976 5.976 174 HA GLU 16 HA GLU 16 -0.326 3.419 3.419 175 1HB GLU 16 HB2 GLU 16 -0.091 3.651 3.651 176 2HB GLU 16 HB1 GLU 16 -1.837 3.859 3.859 177 1HG GLU 16 HG2 GLU 16 -2.224 1.675 1.675 178 2HG GLU 16 HG1 GLU 16 -0.918 1.595 1.595 179 H LEU 17 HN LEU 17 -2.557 2.225 2.225 180 HA LEU 17 HA LEU 17 -4.637 4.158 4.158 181 1HB LEU 17 HB2 LEU 17 -3.525 3.096 3.096 182 2HB LEU 17 HB1 LEU 17 -3.889 1.510 1.510 183 HG LEU 17 HG LEU 17 -6.316 2.038 2.038 184 1HD1 LEU 17 HD11 LEU 17 -5.216 4.667 4.667 185 2HD1 LEU 17 HD13 LEU 17 -6.455 4.115 4.115 186 3HD1 LEU 17 HD12 LEU 17 -6.818 4.244 4.244 187 1HD2 LEU 17 HD21 LEU 17 -4.963 0.901 0.901 188 2HD2 LEU 17 HD23 LEU 17 -6.483 1.648 1.648 189 3HD2 LEU 17 HD22 LEU 17 -4.955 2.467 2.467 190 H SER 18 HN SER 18 -6.782 3.657 3.657 191 HA SER 18 HA SER 18 -7.187 1.561 1.561 192 1HB SER 18 HB2 SER 18 -9.171 3.566 3.566 193 2HB SER 18 HB1 SER 18 -8.913 2.830 2.830 194 HG SER 18 HG SER 18 -7.474 4.876 4.876 195 H PHE 19 HN PHE 19 -9.104 0.206 0.206 196 HA PHE 19 HA PHE 19 -10.845 0.177 0.177 197 1HB PHE 19 HB2 PHE 19 -10.026 -1.826 -1.826 198 2HB PHE 19 HB1 PHE 19 -8.800 -0.563 -0.563 199 HD1 PHE 19 HD1 PHE 19 -9.853 -3.668 -3.668 200 HD2 PHE 19 HD2 PHE 19 -6.653 -0.927 -0.927 201 HE1 PHE 19 HE1 PHE 19 -8.232 -5.230 -5.230 202 HE2 PHE 19 HE2 PHE 19 -5.037 -2.485 -2.485 203 HZ PHE 19 HZ PHE 19 -5.827 -4.634 -4.634 204 H LYS 20 HN LYS 20 -12.257 -1.824 -1.824 205 HA LYS 20 HA LYS 20 -12.331 -2.939 -2.939 206 1HB LYS 20 HB2 LYS 20 -14.616 -2.523 -2.523 207 2HB LYS 20 HB1 LYS 20 -14.750 -3.116 -3.116 208 1HG LYS 20 HG2 LYS 20 -13.470 -0.471 -0.471 209 2HG LYS 20 HG1 LYS 20 -15.207 -0.623 -0.623 210 1HD LYS 20 HD2 LYS 20 -14.965 -1.176 -1.176 211 2HD LYS 20 HD1 LYS 20 -13.346 -1.837 -1.837 212 1HE LYS 20 HE2 LYS 20 -12.340 0.269 0.269 213 2HE LYS 20 HE1 LYS 20 -13.827 1.091 1.091 214 1HZ LYS 20 HZ3 LYS 20 -14.689 0.256 0.256 215 2HZ LYS 20 HZ2 LYS 20 -13.051 0.028 0.028 216 3HZ LYS 20 HZ1 LYS 20 -13.625 1.576 1.576 217 H ARG 21 HN ARG 21 -13.884 -4.983 -4.983 218 HA ARG 21 HA ARG 21 -12.435 -7.018 -7.018 219 1HB ARG 21 HB2 ARG 21 -13.576 -7.259 -7.259 220 2HB ARG 21 HB1 ARG 21 -15.119 -7.206 -7.206 221 1HG ARG 21 HG2 ARG 21 -14.651 -9.221 -9.221 222 2HG ARG 21 HG1 ARG 21 -12.948 -9.186 -9.186 223 1HD ARG 21 HD2 ARG 21 -13.919 -9.167 -9.167 224 2HD ARG 21 HD1 ARG 21 -15.356 -9.834 -9.834 225 HE ARG 21 HE ARG 21 -13.110 -11.332 -11.332 226 1HH1 ARG 21 HH21 ARG 21 -12.523 -10.910 -10.910 227 2HH1 ARG 21 HH22 ARG 21 -13.254 -12.327 -12.327 228 1HH2 ARG 21 HH11 ARG 21 -15.098 -13.066 -13.066 229 2HH2 ARG 21 HH12 ARG 21 -14.711 -13.545 -13.545 230 H GLY 22 HN GLY 22 -12.686 -7.211 -7.211 231 1HA GLY 22 HA2 GLY 22 -14.073 -8.066 -8.066 232 2HA GLY 22 HA1 GLY 22 -15.468 -7.298 -7.298 233 H ASP 23 HN ASP 23 -13.073 -5.043 -5.043 234 HA ASP 23 HA ASP 23 -14.035 -3.550 -3.550 235 1HB ASP 23 HB2 ASP 23 -12.652 -3.061 -3.061 236 2HB ASP 23 HB1 ASP 23 -12.170 -2.028 -2.028 237 H ILE 24 HN ILE 24 -13.032 -4.803 -4.803 238 HA ILE 24 HA ILE 24 -10.222 -5.369 -5.369 239 HB ILE 24 HB ILE 24 -11.814 -5.086 -5.086 240 1HG1 ILE 24 HG12 ILE 24 -12.019 -7.187 -7.187 241 2HG1 ILE 24 HG11 ILE 24 -13.328 -6.378 -6.378 242 1HG2 ILE 24 HG23 ILE 24 -9.235 -5.673 -5.673 243 2HG2 ILE 24 HG22 ILE 24 -9.891 -7.277 -7.277 244 3HG2 ILE 24 HG21 ILE 24 -10.163 -6.474 -6.474 245 1HD1 ILE 24 HD13 ILE 24 -12.154 -7.601 -7.601 246 2HD1 ILE 24 HD12 ILE 24 -11.699 -8.725 -8.725 247 3HD1 ILE 24 HD11 ILE 24 -13.402 -8.380 -8.380 248 H LEU 25 HN LEU 25 -8.591 -4.072 -4.072 249 HA LEU 25 HA LEU 25 -9.080 -1.262 -1.262 250 1HB LEU 25 HB2 LEU 25 -6.525 -2.645 -2.645 251 2HB LEU 25 HB1 LEU 25 -6.812 -0.904 -0.904 252 HG LEU 25 HG LEU 25 -8.919 -1.643 -1.643 253 1HD1 LEU 25 HD13 LEU 25 -6.898 -3.832 -3.832 254 2HD1 LEU 25 HD12 LEU 25 -7.691 -3.295 -3.295 255 3HD1 LEU 25 HD11 LEU 25 -8.656 -3.913 -3.913 256 1HD2 LEU 25 HD23 LEU 25 -6.105 -0.887 -0.887 257 2HD2 LEU 25 HD22 LEU 25 -7.597 0.021 0.021 258 3HD2 LEU 25 HD21 LEU 25 -7.185 -1.312 -1.312 259 H LYS 26 HN LYS 26 -7.299 -0.171 -0.171 260 HA LYS 26 HA LYS 26 -6.966 -1.891 -1.891 261 1HB LYS 26 HB2 LYS 26 -8.363 0.222 0.222 262 2HB LYS 26 HB1 LYS 26 -6.885 1.134 1.134 263 1HG LYS 26 HG2 LYS 26 -6.567 -0.876 -0.876 264 2HG LYS 26 HG1 LYS 26 -7.793 0.335 0.335 265 1HD LYS 26 HD2 LYS 26 -5.114 1.178 1.178 266 2HD LYS 26 HD1 LYS 26 -5.314 0.836 0.836 267 1HE LYS 26 HE2 LYS 26 -7.162 2.710 2.710 268 2HE LYS 26 HE1 LYS 26 -5.671 3.271 3.271 269 1HZ LYS 26 HZ3 LYS 26 -6.575 2.031 2.031 270 2HZ LYS 26 HZ2 LYS 26 -8.077 2.135 2.135 271 3HZ LYS 26 HZ1 LYS 26 -7.224 3.549 3.549 272 H VAL 27 HN VAL 27 -4.910 -2.803 -2.803 273 HA VAL 27 HA VAL 27 -2.696 -1.461 -1.461 274 HB VAL 27 HB VAL 27 -2.630 -3.700 -3.700 275 1HG1 VAL 27 HG12 VAL 27 -0.590 -2.332 -2.332 276 2HG1 VAL 27 HG11 VAL 27 -0.520 -4.095 -4.095 277 3HG1 VAL 27 HG13 VAL 27 -0.393 -3.214 -3.214 278 1HG2 VAL 27 HG22 VAL 27 -3.944 -3.795 -3.795 279 2HG2 VAL 27 HG21 VAL 27 -3.079 -5.185 -5.185 280 3HG2 VAL 27 HG23 VAL 27 -2.315 -4.168 -4.168 281 H LEU 28 HN LEU 28 -2.030 0.461 0.461 282 HA LEU 28 HA LEU 28 -1.903 1.026 1.026 283 1HB LEU 28 HB2 LEU 28 -0.607 2.884 2.884 284 2HB LEU 28 HB1 LEU 28 -1.587 3.257 3.257 285 HG LEU 28 HG LEU 28 -3.317 1.970 1.970 286 1HD1 LEU 28 HD13 LEU 28 -1.496 4.046 4.046 287 2HD1 LEU 28 HD12 LEU 28 -3.069 3.635 3.635 288 3HD1 LEU 28 HD11 LEU 28 -1.808 2.410 2.410 289 1HD2 LEU 28 HD23 LEU 28 -3.317 4.185 4.185 290 2HD2 LEU 28 HD22 LEU 28 -4.638 3.712 3.712 291 3HD2 LEU 28 HD21 LEU 28 -3.456 4.903 4.903 292 H ASN 29 HN ASN 29 0.179 0.057 0.057 293 HA ASN 29 HA ASN 29 2.400 -0.198 -0.198 294 1HB ASN 29 HB2 ASN 29 2.501 2.027 2.027 295 2HB ASN 29 HB1 ASN 29 2.971 1.021 1.021 296 1HD2 ASN 29 HD22 ASN 29 5.522 1.211 1.211 297 2HD2 ASN 29 HD21 ASN 29 3.861 1.456 1.456 298 H GLU 30 HN GLU 30 3.589 -1.985 -1.985 299 HA GLU 30 HA GLU 30 3.048 -3.706 -3.706 300 1HB GLU 30 HB2 GLU 30 4.405 -4.413 -4.413 301 2HB GLU 30 HB1 GLU 30 3.895 -5.537 -5.537 302 1HG GLU 30 HG2 GLU 30 1.527 -4.707 -4.707 303 2HG GLU 30 HG1 GLU 30 2.119 -3.831 -3.831 304 H GLU 31 HN GLU 31 5.312 -5.206 -5.206 305 HA GLU 31 HA GLU 31 7.581 -5.202 -5.202 306 1HB GLU 31 HB2 GLU 31 7.810 -2.387 -2.387 307 2HB GLU 31 HB1 GLU 31 9.089 -3.580 -3.580 308 1HG GLU 31 HG2 GLU 31 7.747 -5.028 -5.028 309 2HG GLU 31 HG1 GLU 31 6.882 -3.540 -3.540 310 H CYS 32 HN CYS 32 9.067 -3.139 -3.139 311 HA CYS 32 HA CYS 32 9.251 -1.772 -1.772 312 1HB CYS 32 HB2 CYS 32 6.711 -1.121 -1.121 313 2HB CYS 32 HB1 CYS 32 6.386 -1.816 -1.816 314 HG CYS 32 HG CYS 32 7.710 0.875 0.875 315 H ASP 33 HN ASP 33 7.727 -2.078 -2.078 316 HA ASP 33 HA ASP 33 8.897 -3.892 -3.892 317 1HB ASP 33 HB2 ASP 33 6.862 -2.403 -2.403 318 2HB ASP 33 HB1 ASP 33 5.915 -3.830 -3.830 319 H GLN 34 HN GLN 34 8.710 -6.009 -6.009 320 HA GLN 34 HA GLN 34 8.015 -7.821 -7.821 321 1HB GLN 34 HB2 GLN 34 9.026 -8.463 -8.463 322 2HB GLN 34 HB1 GLN 34 9.008 -9.561 -9.561 323 1HG GLN 34 HG2 GLN 34 10.347 -7.001 -7.001 324 2HG GLN 34 HG1 GLN 34 11.130 -7.926 -7.926 325 1HE2 GLN 34 HE22 GLN 34 12.343 -9.030 -9.030 326 2HE2 GLN 34 HE21 GLN 34 12.189 -7.494 -7.494 327 H ASN 35 HN ASN 35 5.945 -6.371 -6.371 328 HA ASN 35 HA ASN 35 4.061 -8.583 -8.583 329 1HB ASN 35 HB2 ASN 35 5.314 -7.649 -7.649 330 2HB ASN 35 HB1 ASN 35 3.595 -8.033 -8.033 331 1HD2 ASN 35 HD22 ASN 35 6.113 -11.066 -11.066 332 2HD2 ASN 35 HD21 ASN 35 6.459 -9.463 -9.463 333 H TRP 36 HN TRP 36 4.417 -5.568 -5.568 334 HA TRP 36 HA TRP 36 1.585 -4.889 -4.889 335 1HB TRP 36 HB2 TRP 36 3.760 -2.791 -2.791 336 2HB TRP 36 HB1 TRP 36 2.034 -2.591 -2.591 337 HD1 TRP 36 HD1 TRP 36 4.774 -5.051 -5.051 338 HE1 TRP 36 HE1 TRP 36 4.540 -5.167 -5.167 339 HE3 TRP 36 HE3 TRP 36 0.755 -1.876 -1.876 340 HZ2 TRP 36 HZ2 TRP 36 2.976 -4.080 -4.080 341 HZ3 TRP 36 HZ3 TRP 36 -0.005 -1.429 -1.429 342 HH2 TRP 36 HH2 TRP 36 1.081 -2.532 -2.532 343 H TYR 37 HN TYR 37 0.613 -3.826 -3.826 344 HA TYR 37 HA TYR 37 2.256 -3.414 -3.414 345 1HB TYR 37 HB2 TYR 37 -0.747 -3.676 -3.676 346 2HB TYR 37 HB1 TYR 37 0.067 -3.450 -3.450 347 HD1 TYR 37 HD2 TYR 37 2.365 -5.304 -5.304 348 HD2 TYR 37 HD1 TYR 37 -1.708 -5.752 -5.752 349 HE1 TYR 37 HE2 TYR 37 2.555 -7.767 -7.767 350 HE2 TYR 37 HE1 TYR 37 -1.539 -8.202 -8.202 351 HH TYR 37 HH TYR 37 0.018 -9.944 -9.944 352 H LYS 38 HN LYS 38 0.986 -1.701 -1.701 353 HA LYS 38 HA LYS 38 0.296 0.703 0.703 354 1HB LYS 38 HB2 LYS 38 2.471 0.772 0.772 355 2HB LYS 38 HB1 LYS 38 1.342 0.850 0.850 356 1HG LYS 38 HG2 LYS 38 0.278 2.693 2.693 357 2HG LYS 38 HG1 LYS 38 2.011 2.898 2.898 358 1HD LYS 38 HD2 LYS 38 1.608 2.661 2.661 359 2HD LYS 38 HD1 LYS 38 0.380 3.775 3.775 360 1HE LYS 38 HE2 LYS 38 2.175 5.036 5.036 361 2HE LYS 38 HE1 LYS 38 3.367 3.979 3.979 362 1HZ LYS 38 HZ1 LYS 38 2.439 4.684 4.684 363 2HZ LYS 38 HZ3 LYS 38 1.482 5.823 5.823 364 3HZ LYS 38 HZ2 LYS 38 3.176 5.943 5.943 365 H ALA 39 HN ALA 39 -1.858 1.279 1.279 366 HA ALA 39 HA ALA 39 -3.078 0.732 0.732 367 1HB ALA 39 HB3 ALA 39 -3.226 -1.412 -1.412 368 2HB ALA 39 HB2 ALA 39 -4.134 -0.594 -0.594 369 3HB ALA 39 HB1 ALA 39 -4.812 -0.718 -0.718 370 H GLU 40 HN GLU 40 -5.606 1.032 1.032 371 HA GLU 40 HA GLU 40 -6.033 3.340 3.340 372 1HB GLU 40 HB2 GLU 40 -5.717 4.890 4.890 373 2HB GLU 40 HB1 GLU 40 -4.988 3.622 3.622 374 1HG GLU 40 HG2 GLU 40 -7.154 3.213 3.213 375 2HG GLU 40 HG1 GLU 40 -7.945 4.383 4.383 376 H LEU 41 HN LEU 41 -7.983 3.549 3.549 377 HA LEU 41 HA LEU 41 -10.115 1.863 1.863 378 1HB LEU 41 HB2 LEU 41 -9.615 2.883 2.883 379 2HB LEU 41 HB1 LEU 41 -11.298 2.687 2.687 380 HG LEU 41 HG LEU 41 -9.313 0.532 0.532 381 1HD1 LEU 41 HD12 LEU 41 -9.299 1.284 1.284 382 2HD1 LEU 41 HD11 LEU 41 -10.969 0.715 0.715 383 3HD1 LEU 41 HD13 LEU 41 -9.667 -0.415 -0.415 384 1HD2 LEU 41 HD22 LEU 41 -11.669 0.675 0.675 385 2HD2 LEU 41 HD21 LEU 41 -11.280 -0.821 -0.821 386 3HD2 LEU 41 HD23 LEU 41 -12.255 0.424 0.424 387 H ASN 42 HN ASN 42 -10.867 2.910 2.910 388 HA ASN 42 HA ASN 42 -11.962 4.583 4.583 389 1HB ASN 42 HB2 ASN 42 -13.320 4.143 4.143 390 2HB ASN 42 HB1 ASN 42 -13.885 5.495 5.495 391 1HD2 ASN 42 HD22 ASN 42 -14.057 1.785 1.785 392 2HD2 ASN 42 HD21 ASN 42 -12.701 2.193 2.193 393 H GLY 43 HN GLY 43 -9.702 5.762 5.762 394 1HA GLY 43 HA2 GLY 43 -9.598 8.365 8.365 395 2HA GLY 43 HA1 GLY 43 -10.779 8.440 8.440 396 H LYS 44 HN LYS 44 -9.519 6.396 6.396 397 HA LYS 44 HA LYS 44 -7.339 7.984 7.984 398 1HB LYS 44 HB2 LYS 44 -9.092 5.800 5.800 399 2HB LYS 44 HB1 LYS 44 -7.472 6.010 6.010 400 1HG LYS 44 HG2 LYS 44 -7.887 8.154 8.154 401 2HG LYS 44 HG1 LYS 44 -9.227 8.405 8.405 402 1HD LYS 44 HD2 LYS 44 -10.099 8.088 8.088 403 2HD LYS 44 HD1 LYS 44 -10.564 6.722 6.722 404 1HE LYS 44 HE2 LYS 44 -8.969 5.299 5.299 405 2HE LYS 44 HE1 LYS 44 -8.032 6.643 6.643 406 1HZ LYS 44 HZ2 LYS 44 -9.885 7.147 7.147 407 2HZ LYS 44 HZ1 LYS 44 -10.743 5.810 5.810 408 3HZ LYS 44 HZ3 LYS 44 -9.299 5.574 5.574 409 H ASP 45 HN ASP 45 -5.479 6.640 6.640 410 HA ASP 45 HA ASP 45 -4.898 4.249 4.249 411 1HB ASP 45 HB2 ASP 45 -3.726 4.954 4.954 412 2HB ASP 45 HB1 ASP 45 -4.810 6.318 6.318 413 H GLY 46 HN GLY 46 -2.336 3.894 3.894 414 1HA GLY 46 HA2 GLY 46 -0.318 4.746 4.746 415 2HA GLY 46 HA1 GLY 46 -1.385 4.718 4.718 416 H PHE 47 HN PHE 47 0.480 3.284 3.284 417 HA PHE 47 HA PHE 47 0.839 0.683 0.683 418 1HB PHE 47 HB2 PHE 47 1.457 1.682 1.682 419 2HB PHE 47 HB1 PHE 47 2.031 0.156 0.156 420 HD1 PHE 47 HD2 PHE 47 3.317 0.284 0.284 421 HD2 PHE 47 HD1 PHE 47 2.696 3.644 3.644 422 HE1 PHE 47 HE2 PHE 47 5.210 1.469 1.469 423 HE2 PHE 47 HE1 PHE 47 4.588 4.830 4.830 424 HZ PHE 47 HZ PHE 47 5.847 3.742 3.742 425 H ILE 48 HN ILE 48 0.140 -1.392 -1.392 426 HA ILE 48 HA ILE 48 -2.038 -1.367 -1.367 427 HB ILE 48 HB ILE 48 -3.322 -2.970 -2.970 428 1HG1 ILE 48 HG12 ILE 48 -1.890 -1.460 -1.460 429 2HG1 ILE 48 HG11 ILE 48 -1.261 -3.001 -3.001 430 1HG2 ILE 48 HG23 ILE 48 -3.821 -0.498 -0.498 431 2HG2 ILE 48 HG22 ILE 48 -3.205 -0.147 -0.147 432 3HG2 ILE 48 HG21 ILE 48 -4.611 -1.194 -1.194 433 1HD1 ILE 48 HD12 ILE 48 -4.158 -3.028 -3.028 434 2HD1 ILE 48 HD11 ILE 48 -3.165 -2.729 -2.729 435 3HD1 ILE 48 HD13 ILE 48 -2.915 -4.188 -4.188 436 HA PRO 49 HA PRO 49 0.647 -4.834 -4.834 437 1HB PRO 49 HB2 PRO 49 -0.769 -5.794 -5.794 438 2HB PRO 49 HB1 PRO 49 0.450 -4.504 -4.504 439 1HG PRO 49 HG2 PRO 49 -2.555 -4.283 -4.283 440 2HG PRO 49 HG1 PRO 49 -1.350 -3.233 -3.233 441 1HD PRO 49 HD2 PRO 49 -2.647 -2.585 -2.585 442 2HD PRO 49 HD1 PRO 49 -1.120 -1.910 -1.910 443 H LYS 50 HN LYS 50 0.415 -6.292 -6.292 444 HA LYS 50 HA LYS 50 -1.732 -7.479 -7.479 445 1HB LYS 50 HB2 LYS 50 0.684 -7.656 -7.656 446 2HB LYS 50 HB1 LYS 50 0.846 -8.858 -8.858 447 1HG LYS 50 HG2 LYS 50 -0.870 -10.243 -10.243 448 2HG LYS 50 HG1 LYS 50 -0.929 -9.058 -9.058 449 1HD LYS 50 HD2 LYS 50 1.257 -9.520 -9.520 450 2HD LYS 50 HD1 LYS 50 1.715 -10.181 -10.181 451 1HE LYS 50 HE2 LYS 50 -0.462 -11.609 -11.609 452 2HE LYS 50 HE1 LYS 50 1.153 -11.748 -11.748 453 1HZ LYS 50 HZ2 LYS 50 0.684 -12.164 -12.164 454 2HZ LYS 50 HZ1 LYS 50 0.465 -13.427 -13.427 455 3HZ LYS 50 HZ3 LYS 50 1.986 -12.697 -12.697 456 H ASN 51 HN ASN 51 -0.741 -8.236 -8.236 457 HA ASN 51 HA ASN 51 -1.649 -10.837 -10.837 458 1HB ASN 51 HB2 ASN 51 -1.110 -8.668 -8.668 459 2HB ASN 51 HB1 ASN 51 -2.050 -9.987 -9.987 460 1HD2 ASN 51 HD22 ASN 51 1.700 -10.958 -10.958 461 2HD2 ASN 51 HD21 ASN 51 0.763 -9.834 -9.834 462 H TYR 52 HN TYR 52 -3.291 -7.814 -7.814 463 HA TYR 52 HA TYR 52 -5.921 -9.063 -9.063 464 1HB TYR 52 HB2 TYR 52 -4.845 -6.247 -6.247 465 2HB TYR 52 HB1 TYR 52 -6.569 -6.526 -6.526 466 HD1 TYR 52 HD1 TYR 52 -3.595 -7.336 -7.336 467 HD2 TYR 52 HD2 TYR 52 -7.815 -6.751 -6.751 468 HE1 TYR 52 HE1 TYR 52 -3.769 -7.413 -7.413 469 HE2 TYR 52 HE2 TYR 52 -7.979 -6.846 -6.846 470 HH TYR 52 HH TYR 52 -6.201 -6.280 -6.280 471 H ILE 53 HN ILE 53 -4.359 -9.405 -9.405 472 HA ILE 53 HA ILE 53 -6.430 -8.627 -8.627 473 HB ILE 53 HB ILE 53 -3.929 -7.755 -7.755 474 1HG1 ILE 53 HG12 ILE 53 -5.008 -6.073 -6.073 475 2HG1 ILE 53 HG11 ILE 53 -3.544 -7.055 -7.055 476 1HG2 ILE 53 HG23 ILE 53 -6.401 -7.358 -7.358 477 2HG2 ILE 53 HG22 ILE 53 -6.312 -6.012 -6.012 478 3HG2 ILE 53 HG21 ILE 53 -5.208 -6.094 -6.094 479 1HD1 ILE 53 HD12 ILE 53 -2.887 -5.820 -5.820 480 2HD1 ILE 53 HD11 ILE 53 -4.081 -4.637 -4.637 481 3HD1 ILE 53 HD13 ILE 53 -2.687 -4.997 -4.997 482 H GLU 54 HN GLU 54 -5.686 -9.112 -9.112 483 HA GLU 54 HA GLU 54 -3.734 -11.139 -11.139 484 1HB GLU 54 HB2 GLU 54 -6.547 -11.796 -11.796 485 2HB GLU 54 HB1 GLU 54 -5.844 -12.314 -12.314 486 1HG GLU 54 HG2 GLU 54 -3.887 -13.105 -13.105 487 2HG GLU 54 HG1 GLU 54 -5.296 -13.286 -13.286 488 H MET 55 HN MET 55 -3.298 -11.383 -11.383 489 HA MET 55 HA MET 55 -4.125 -8.949 -8.949 490 1HB MET 55 HB2 MET 55 -1.670 -9.903 -9.903 491 2HB MET 55 HB1 MET 55 -2.085 -10.841 -10.841 492 1HG MET 55 HG2 MET 55 -2.948 -8.131 -8.131 493 2HG MET 55 HG1 MET 55 -1.283 -8.090 -8.090 494 1HE MET 55 HE2 MET 55 -3.845 -9.063 -9.063 495 2HE MET 55 HE1 MET 55 -3.090 -9.439 -9.439 496 3HE MET 55 HE3 MET 55 -3.273 -10.700 -10.700 497 H LYS 56 HN LYS 56 -5.907 -9.216 -9.216 498 HA LYS 56 HA LYS 56 -6.113 -11.678 -11.678 499 1HB LYS 56 HB2 LYS 56 -8.040 -10.056 -10.056 500 2HB LYS 56 HB1 LYS 56 -8.576 -10.803 -10.803 501 1HG LYS 56 HG2 LYS 56 -7.404 -12.922 -12.922 502 2HG LYS 56 HG1 LYS 56 -7.521 -12.087 -12.087 503 1HD LYS 56 HD2 LYS 56 -9.887 -12.580 -12.580 504 2HD LYS 56 HD1 LYS 56 -9.465 -13.633 -13.633 505 1HE LYS 56 HE2 LYS 56 -9.465 -11.344 -11.344 506 2HE LYS 56 HE1 LYS 56 -10.550 -10.851 -10.851 507 1HZ LYS 56 HZ2 LYS 56 -11.691 -13.097 -13.097 508 2HZ LYS 56 HZ1 LYS 56 -10.905 -12.964 -12.964 509 3HZ LYS 56 HZ3 LYS 56 -11.993 -11.761 -11.761 510 HA PRO 57 HA PRO 57 -6.253 -9.335 -9.335 511 1HB PRO 57 HB2 PRO 57 -7.579 -11.032 -11.032 512 2HB PRO 57 HB1 PRO 57 -5.886 -11.245 -11.245 513 1HG PRO 57 HG2 PRO 57 -8.276 -12.717 -12.717 514 2HG PRO 57 HG1 PRO 57 -6.594 -13.209 -13.209 515 1HD PRO 57 HD2 PRO 57 -8.096 -12.293 -12.293 516 2HD PRO 57 HD1 PRO 57 -6.347 -12.596 -12.596 517 H HIS 58 HN HIS 58 -8.238 -9.201 -9.201 518 HA HIS 58 HA HIS 58 -10.408 -7.801 -7.801 519 1HB HIS 58 HB2 HIS 58 -9.412 -7.848 -7.848 520 2HB HIS 58 HB1 HIS 58 -11.080 -7.361 -7.361 521 HD1 HIS 58 HD1 HIS 58 -11.445 -5.235 -5.235 522 HD2 HIS 58 HD2 HIS 58 -7.473 -5.968 -5.968 523 HE1 HIS 58 HE1 HIS 58 -10.156 -3.127 -3.127 524 HA PRO 59 HA PRO 59 -13.294 -11.079 -11.079 525 1HB PRO 59 HB2 PRO 59 -15.662 -9.704 -9.704 526 2HB PRO 59 HB1 PRO 59 -14.821 -9.929 -9.929 527 1HG PRO 59 HG2 PRO 59 -15.012 -7.472 -7.472 528 2HG PRO 59 HG1 PRO 59 -14.747 -7.615 -7.615 529 1HD PRO 59 HD2 PRO 59 -12.750 -7.081 -7.081 530 2HD PRO 59 HD1 PRO 59 -12.467 -7.536 -7.536 531 H GLU 60 HN GLU 60 -14.823 -8.584 -8.584 532 HA GLU 60 HA GLU 60 -14.182 -10.165 -10.165 533 1HB GLU 60 HB2 GLU 60 -16.790 -10.061 -10.061 534 2HB GLU 60 HB1 GLU 60 -16.880 -9.440 -9.440 535 1HG GLU 60 HG2 GLU 60 -15.334 -11.632 -11.632 536 2HG GLU 60 HG1 GLU 60 -16.296 -12.189 -12.189 537 H PHE 61 HN PHE 61 -15.720 -8.773 -8.773 538 HA PHE 61 HA PHE 61 -15.281 -5.887 -5.887 539 1HB PHE 61 HB2 PHE 61 -13.232 -7.226 -7.226 540 2HB PHE 61 HB1 PHE 61 -14.199 -6.912 -6.912 541 HD1 PHE 61 HD2 PHE 61 -15.155 -4.446 -4.446 542 HD2 PHE 61 HD1 PHE 61 -11.754 -5.576 -5.576 543 HE1 PHE 61 HE2 PHE 61 -14.357 -2.098 -2.098 544 HE2 PHE 61 HE1 PHE 61 -10.957 -3.229 -3.229 545 HZ PHE 61 HZ PHE 61 -12.259 -1.489 -1.489 546 H ILE 62 HN ILE 62 -17.678 -6.119 -6.119 547 HA ILE 62 HA ILE 62 -18.688 -6.457 -6.457 548 HB ILE 62 HB ILE 62 -19.741 -7.954 -7.954 549 1HG1 ILE 62 HG12 ILE 62 -21.845 -5.882 -5.882 550 2HG1 ILE 62 HG11 ILE 62 -21.032 -6.630 -6.630 551 1HG2 ILE 62 HG22 ILE 62 -20.561 -5.381 -5.381 552 2HG2 ILE 62 HG21 ILE 62 -21.106 -6.997 -6.997 553 3HG2 ILE 62 HG23 ILE 62 -19.408 -6.561 -6.561 554 1HD1 ILE 62 HD12 ILE 62 -21.548 -8.847 -8.847 555 2HD1 ILE 62 HD11 ILE 62 -22.882 -7.840 -7.840 556 3HD1 ILE 62 HD13 ILE 62 -22.702 -8.184 -8.184 557 H VAL 63 HN VAL 63 -18.723 -4.326 -4.326 558 HA VAL 63 HA VAL 63 -19.199 -2.036 -2.036 559 HB VAL 63 HB VAL 63 -18.849 -1.994 -1.994 560 1HG1 VAL 63 HG11 VAL 63 -18.772 0.051 0.051 561 2HG1 VAL 63 HG13 VAL 63 -17.881 0.319 0.319 562 3HG1 VAL 63 HG12 VAL 63 -19.633 0.118 0.118 563 1HG2 VAL 63 HG23 VAL 63 -16.909 -2.341 -2.341 564 2HG2 VAL 63 HG22 VAL 63 -16.808 -2.894 -2.894 565 3HG2 VAL 63 HG21 VAL 63 -16.450 -1.214 -1.214 566 H THR 64 HN THR 64 -20.862 -0.369 -0.369 567 HA THR 64 HA THR 64 -23.168 -1.397 -1.397 568 HB THR 64 HB THR 64 -24.579 -0.498 -0.498 569 HG1 THR 64 HG1 THR 64 -23.525 -0.995 -0.995 570 1HG2 THR 64 HG21 THR 64 -24.437 -2.835 -2.835 571 2HG2 THR 64 HG23 THR 64 -23.299 -3.220 -3.220 572 3HG2 THR 64 HG22 THR 64 -24.954 -2.754 -2.754 573 H ASP 65 HN ASP 65 -22.008 1.275 1.275 574 HA ASP 65 HA ASP 65 -23.107 3.174 3.174 575 1HB ASP 65 HB2 ASP 65 -24.370 3.139 3.139 576 2HB ASP 65 HB1 ASP 65 -22.896 3.722 3.722 577 1H SER 1 HT3 SER 1 -8.524 -15.198 -15.198 578 2H SER 1 HT2 SER 1 -7.423 -15.445 -15.445 579 3H SER 1 HT1 SER 1 -7.975 -13.878 -13.878 580 HA SER 1 HA SER 1 -5.905 -13.858 -13.858 581 1HB SER 1 HB2 SER 1 -5.917 -16.513 -16.513 582 2HB SER 1 HB1 SER 1 -6.231 -16.494 -16.494 583 HG SER 1 HG SER 1 -4.380 -15.046 -15.046 584 HA PRO 2 HA PRO 2 -8.686 -12.955 -12.955 585 1HB PRO 2 HB2 PRO 2 -8.243 -10.242 -10.242 586 2HB PRO 2 HB1 PRO 2 -9.512 -11.020 -11.020 587 1HG PRO 2 HG2 PRO 2 -6.908 -9.871 -9.871 588 2HG PRO 2 HG1 PRO 2 -8.419 -10.074 -10.074 589 1HD PRO 2 HD2 PRO 2 -6.136 -11.743 -11.743 590 2HD PRO 2 HD1 PRO 2 -7.754 -12.108 -12.108 591 H LEU 3 HN LEU 3 -7.228 -13.939 -13.939 592 HA LEU 3 HA LEU 3 -4.707 -12.536 -12.536 593 1HB LEU 3 HB2 LEU 3 -4.815 -15.046 -15.046 594 2HB LEU 3 HB1 LEU 3 -5.838 -15.068 -15.068 595 HG LEU 3 HG LEU 3 -3.839 -13.555 -13.555 596 1HD1 LEU 3 HD11 LEU 3 -2.641 -13.712 -13.712 597 2HD1 LEU 3 HD13 LEU 3 -2.456 -15.442 -15.442 598 3HD1 LEU 3 HD12 LEU 3 -1.692 -14.281 -14.281 599 1HD2 LEU 3 HD23 LEU 3 -4.321 -16.496 -16.496 600 2HD2 LEU 3 HD22 LEU 3 -4.278 -15.416 -15.416 601 3HD2 LEU 3 HD21 LEU 3 -2.773 -15.963 -15.963 602 H LEU 4 HN LEU 4 -4.764 -10.962 -10.962 603 HA LEU 4 HA LEU 4 -5.662 -11.194 -11.194 604 1HB LEU 4 HB2 LEU 4 -7.910 -10.946 -10.946 605 2HB LEU 4 HB1 LEU 4 -7.677 -9.335 -9.335 606 HG LEU 4 HG LEU 4 -9.165 -10.631 -10.631 607 1HD1 LEU 4 HD12 LEU 4 -6.966 -9.196 -9.196 608 2HD1 LEU 4 HD11 LEU 4 -6.778 -10.703 -10.703 609 3HD1 LEU 4 HD13 LEU 4 -8.264 -9.757 -9.757 610 1HD2 LEU 4 HD22 LEU 4 -6.841 -12.578 -12.578 611 2HD2 LEU 4 HD21 LEU 4 -8.394 -12.890 -12.890 612 3HD2 LEU 4 HD23 LEU 4 -8.308 -12.643 -12.643 613 HA PRO 5 HA PRO 5 -4.915 -6.561 -6.561 614 1HB PRO 5 HB2 PRO 5 -4.665 -5.758 -5.758 615 2HB PRO 5 HB1 PRO 5 -6.189 -5.728 -5.728 616 1HG PRO 5 HG2 PRO 5 -5.296 -7.648 -7.648 617 2HG PRO 5 HG1 PRO 5 -6.938 -7.147 -7.147 618 1HD PRO 5 HD2 PRO 5 -5.733 -9.570 -9.570 619 2HD PRO 5 HD1 PRO 5 -7.173 -8.871 -8.871 620 H LYS 6 HN LYS 6 -2.991 -5.224 -5.224 621 HA LYS 6 HA LYS 6 -0.682 -5.075 -5.075 622 1HB LYS 6 HB2 LYS 6 -1.483 -7.486 -7.486 623 2HB LYS 6 HB1 LYS 6 0.220 -7.429 -7.429 624 1HG LYS 6 HG2 LYS 6 -1.142 -5.039 -5.039 625 2HG LYS 6 HG1 LYS 6 -0.461 -6.321 -6.321 626 1HD LYS 6 HD2 LYS 6 1.462 -5.106 -5.106 627 2HD LYS 6 HD1 LYS 6 1.602 -5.875 -5.875 628 1HE LYS 6 HE2 LYS 6 1.095 -3.954 -3.954 629 2HE LYS 6 HE1 LYS 6 -0.105 -3.455 -3.455 630 1HZ LYS 6 HZ3 LYS 6 2.791 -3.408 -3.408 631 2HZ LYS 6 HZ2 LYS 6 2.015 -2.095 -2.095 632 3HZ LYS 6 HZ1 LYS 6 1.536 -2.596 -2.596 633 H LEU 7 HN LEU 7 1.274 -5.724 -5.724 634 HA LEU 7 HA LEU 7 0.811 -7.673 -7.673 635 1HB LEU 7 HB2 LEU 7 2.347 -5.090 -5.090 636 2HB LEU 7 HB1 LEU 7 2.757 -6.293 -6.293 637 HG LEU 7 HG LEU 7 1.136 -4.616 -4.616 638 1HD1 LEU 7 HD12 LEU 7 0.825 -7.481 -7.481 639 2HD1 LEU 7 HD11 LEU 7 -0.765 -6.717 -6.717 640 3HD1 LEU 7 HD13 LEU 7 0.494 -6.310 -6.310 641 1HD2 LEU 7 HD21 LEU 7 0.036 -4.511 -4.511 642 2HD2 LEU 7 HD23 LEU 7 -0.930 -4.184 -4.184 643 3HD2 LEU 7 HD22 LEU 7 -1.009 -5.765 -5.765 644 HA PRO 8 HA PRO 8 4.139 -9.539 -9.539 645 1HB PRO 8 HB2 PRO 8 3.352 -12.145 -12.145 646 2HB PRO 8 HB1 PRO 8 2.706 -11.107 -11.107 647 1HG PRO 8 HG2 PRO 8 1.407 -11.964 -11.964 648 2HG PRO 8 HG1 PRO 8 0.660 -11.491 -11.491 649 1HD PRO 8 HD2 PRO 8 0.878 -9.862 -9.862 650 2HD PRO 8 HD1 PRO 8 0.437 -9.311 -9.311 651 HA PRO 9 HA PRO 9 6.736 -10.878 -10.878 652 1HB PRO 9 HB2 PRO 9 8.312 -12.803 -12.803 653 2HB PRO 9 HB1 PRO 9 8.480 -11.071 -11.071 654 1HG PRO 9 HG2 PRO 9 7.314 -13.207 -13.207 655 2HG PRO 9 HG1 PRO 9 8.038 -11.659 -11.659 656 1HD PRO 9 HD2 PRO 9 5.256 -12.233 -12.233 657 2HD PRO 9 HD1 PRO 9 5.992 -10.629 -10.629 658 H LYS 10 HN LYS 10 4.699 -11.940 -11.940 659 HA LYS 10 HA LYS 10 3.756 -13.734 -13.734 660 1HB LYS 10 HB2 LYS 10 6.409 -13.964 -13.964 661 2HB LYS 10 HB1 LYS 10 6.123 -15.474 -15.474 662 1HG LYS 10 HG2 LYS 10 4.078 -15.659 -15.659 663 2HG LYS 10 HG1 LYS 10 5.084 -14.591 -14.591 664 1HD LYS 10 HD2 LYS 10 6.988 -16.306 -16.306 665 2HD LYS 10 HD1 LYS 10 5.646 -17.396 -17.396 666 1HE LYS 10 HE2 LYS 10 5.922 -15.858 -15.858 667 2HE LYS 10 HE1 LYS 10 6.472 -17.520 -17.520 668 1HZ LYS 10 HZ3 LYS 10 3.697 -16.668 -16.668 669 2HZ LYS 10 HZ2 LYS 10 4.176 -17.231 -17.231 670 3HZ LYS 10 HZ1 LYS 10 4.290 -18.247 -18.247 671 H THR 11 HN THR 11 2.111 -14.677 -14.677 672 HA THR 11 HA THR 11 2.821 -16.658 -16.658 673 HB THR 11 HB THR 11 0.421 -16.112 -16.112 674 HG1 THR 11 HG1 THR 11 -0.483 -14.345 -14.345 675 1HG2 THR 11 HG21 THR 11 2.776 -15.365 -15.365 676 2HG2 THR 11 HG23 THR 11 2.279 -13.781 -13.781 677 3HG2 THR 11 HG22 THR 11 1.311 -14.607 -14.607 678 H TYR 12 HN TYR 12 2.876 -18.300 -18.300 679 HA TYR 12 HA TYR 12 0.195 -18.944 -18.944 680 1HB TYR 12 HB2 TYR 12 2.068 -18.490 -18.490 681 2HB TYR 12 HB1 TYR 12 2.907 -19.894 -19.894 682 HD1 TYR 12 HD1 TYR 12 -0.629 -19.119 -19.119 683 HD2 TYR 12 HD2 TYR 12 2.725 -21.783 -21.783 684 HE1 TYR 12 HE1 TYR 12 -1.954 -20.602 -20.602 685 HE2 TYR 12 HE2 TYR 12 1.400 -23.267 -23.267 686 HH TYR 12 HH TYR 12 -0.889 -23.765 -23.765 687 H LYS 13 HN LYS 13 -0.321 -21.269 -21.269 688 HA LYS 13 HA LYS 13 1.199 -23.075 -23.075 689 1HB LYS 13 HB2 LYS 13 -1.519 -21.969 -21.969 690 2HB LYS 13 HB1 LYS 13 -1.176 -23.643 -23.643 691 1HG LYS 13 HG2 LYS 13 1.005 -22.684 -22.684 692 2HG LYS 13 HG1 LYS 13 0.167 -21.133 -21.133 693 1HD LYS 13 HD2 LYS 13 -1.793 -22.354 -22.354 694 2HD LYS 13 HD1 LYS 13 -0.613 -23.612 -23.612 695 1HE LYS 13 HE2 LYS 13 -0.596 -22.145 -22.145 696 2HE LYS 13 HE1 LYS 13 0.857 -21.754 -21.754 697 1HZ LYS 13 HZ1 LYS 13 -1.646 -20.316 -20.316 698 2HZ LYS 13 HZ3 LYS 13 -0.716 -19.872 -19.872 699 3HZ LYS 13 HZ2 LYS 13 -0.039 -19.804 -19.804 700 H ARG 14 HN ARG 14 0.977 -25.212 -25.212 701 HA ARG 14 HA ARG 14 -0.168 -25.744 -25.744 702 1HB ARG 14 HB2 ARG 14 0.345 -28.134 -28.134 703 2HB ARG 14 HB1 ARG 14 1.716 -27.061 -27.061 704 1HG ARG 14 HG2 ARG 14 1.399 -27.087 -27.087 705 2HG ARG 14 HG1 ARG 14 -0.218 -27.778 -27.778 706 1HD ARG 14 HD2 ARG 14 0.978 -29.783 -29.783 707 2HD ARG 14 HD1 ARG 14 2.447 -29.124 -29.124 708 HE ARG 14 HE ARG 14 0.081 -30.061 -30.061 709 1HH1 ARG 14 HH11 ARG 14 1.498 -28.298 -28.298 710 2HH1 ARG 14 HH12 ARG 14 2.783 -29.254 -29.254 711 1HH2 ARG 14 HH21 ARG 14 2.563 -31.712 -31.712 712 2HH2 ARG 14 HH22 ARG 14 3.386 -31.187 -31.187 713 H GLU 15 HN GLU 15 -2.089 -26.826 -26.826 714 HA GLU 15 HA GLU 15 -4.178 -26.802 -26.802 715 1HB GLU 15 HB2 GLU 15 -5.732 -27.184 -27.184 716 2HB GLU 15 HB1 GLU 15 -4.762 -25.721 -25.721 717 1HG GLU 15 HG2 GLU 15 -3.492 -26.592 -26.592 718 2HG GLU 15 HG1 GLU 15 -3.637 -28.247 -28.247 Start of MODEL 3 1 1H GLY -8 HT3 GLY -8 5.355 -3.968 -3.968 2 2H GLY -8 HT2 GLY -8 3.976 -4.538 -4.538 3 3H GLY -8 HT1 GLY -8 5.064 -3.506 -3.506 4 1HA GLY -8 HA1 GLY -8 3.488 -2.044 -2.044 5 2HA GLY -8 HA2 GLY -8 2.933 -2.926 -2.926 6 H SER -7 HN SER -7 3.163 -0.787 -0.787 7 HA SER -7 HA SER -7 5.677 0.581 0.581 8 1HB SER -7 HB2 SER -7 5.134 1.357 1.357 9 2HB SER -7 HB1 SER -7 3.568 1.936 1.936 10 HG SER -7 HG SER -7 6.156 2.904 2.904 11 H ARG -6 HN ARG -6 4.925 0.221 0.221 12 HA ARG -6 HA ARG -6 2.483 1.500 1.500 13 1HB ARG -6 HB2 ARG -6 4.832 0.533 0.533 14 2HB ARG -6 HB1 ARG -6 3.171 0.768 0.768 15 1HG ARG -6 HG2 ARG -6 2.638 -0.940 -0.940 16 2HG ARG -6 HG1 ARG -6 4.318 -1.414 -1.414 17 1HD ARG -6 HD2 ARG -6 2.488 -1.131 -1.131 18 2HD ARG -6 HD1 ARG -6 2.416 -2.593 -2.593 19 HE ARG -6 HE ARG -6 5.143 -2.124 -2.124 20 1HH1 ARG -6 HH11 ARG -6 2.863 -1.666 -1.666 21 2HH1 ARG -6 HH12 ARG -6 3.285 -3.034 -3.034 22 1HH2 ARG -6 HH21 ARG -6 5.406 -4.406 -4.406 23 2HH2 ARG -6 HH22 ARG -6 4.725 -4.585 -4.585 24 H ARG -5 HN ARG -5 2.262 3.582 3.582 25 HA ARG -5 HA ARG -5 4.561 5.106 5.106 26 1HB ARG -5 HB2 ARG -5 3.224 5.726 5.726 27 2HB ARG -5 HB1 ARG -5 4.063 6.968 6.968 28 1HG ARG -5 HG2 ARG -5 5.981 5.120 5.120 29 2HG ARG -5 HG1 ARG -5 5.179 4.574 4.574 30 1HD ARG -5 HD2 ARG -5 6.363 6.158 6.158 31 2HD ARG -5 HD1 ARG -5 5.328 7.350 7.350 32 HE ARG -5 HE ARG -5 7.182 7.954 7.954 33 1HH1 ARG -5 HH11 ARG -5 8.074 6.248 6.248 34 2HH1 ARG -5 HH12 ARG -5 9.404 5.353 5.353 35 1HH2 ARG -5 HH21 ARG -5 8.659 6.152 6.152 36 2HH2 ARG -5 HH22 ARG -5 9.734 5.297 5.297 37 H ALA -4 HN ALA -4 1.414 5.971 5.971 38 HA ALA -4 HA ALA -4 0.746 7.744 7.744 39 1HB ALA -4 HB3 ALA -4 -0.614 6.777 6.777 40 2HB ALA -4 HB2 ALA -4 -1.618 7.464 7.464 41 3HB ALA -4 HB1 ALA -4 -0.332 8.428 8.428 42 H SER -3 HN SER -3 -1.023 4.854 4.854 43 HA SER -3 HA SER -3 -1.165 3.748 3.748 44 1HB SER -3 HB2 SER -3 -3.803 4.367 4.367 45 2HB SER -3 HB1 SER -3 -3.464 4.006 4.006 46 HG SER -3 HG SER -3 -3.510 6.116 6.116 47 H VAL -2 HN VAL -2 -1.910 1.559 1.559 48 HA VAL -2 HA VAL -2 -2.400 0.420 0.420 49 HB VAL -2 HB VAL -2 -0.755 -0.888 -0.888 50 1HG1 VAL -2 HG11 VAL -2 -1.991 -2.330 -2.330 51 2HG1 VAL -2 HG13 VAL -2 -0.991 -1.585 -1.585 52 3HG1 VAL -2 HG12 VAL -2 -0.241 -2.542 -2.542 53 1HG2 VAL -2 HG22 VAL -2 -0.049 1.069 1.069 54 2HG2 VAL -2 HG21 VAL -2 0.853 0.583 0.583 55 3HG2 VAL -2 HG23 VAL -2 0.940 -0.391 -0.391 56 H GLY -1 HN GLY -1 -2.687 -0.144 -0.144 57 1HA GLY -1 HA2 GLY -1 -5.256 -0.588 -0.588 58 2HA GLY -1 HA1 GLY -1 -4.937 -2.016 -2.016 59 H SER 0 HN SER 0 -4.251 -0.444 -0.444 60 HA SER 0 HA SER 0 -2.436 -2.407 -2.407 61 1HB SER 0 HB2 SER 0 -4.357 -1.027 -1.027 62 2HB SER 0 HB1 SER 0 -2.623 -1.276 -1.276 63 HG SER 0 HG SER 0 -3.899 0.855 0.855 64 H MET 1 HN MET 1 -3.282 -3.575 -3.575 65 HA MET 1 HA MET 1 -5.667 -5.174 -5.174 66 1HB MET 1 HB2 MET 1 -3.064 -5.922 -5.922 67 2HB MET 1 HB1 MET 1 -4.505 -6.825 -6.825 68 1HG MET 1 HG2 MET 1 -4.864 -7.661 -7.661 69 2HG MET 1 HG1 MET 1 -4.007 -6.335 -6.335 70 1HE MET 1 HE1 MET 1 -1.891 -6.020 -6.020 71 2HE MET 1 HE3 MET 1 -0.554 -7.176 -7.176 72 3HE MET 1 HE2 MET 1 -1.900 -7.435 -7.435 73 H GLU 2 HN GLU 2 -6.378 -6.410 -6.410 74 HA GLU 2 HA GLU 2 -6.705 -4.231 -4.231 75 1HB GLU 2 HB2 GLU 2 -8.679 -5.437 -5.437 76 2HB GLU 2 HB1 GLU 2 -8.870 -6.156 -6.156 77 1HG GLU 2 HG2 GLU 2 -9.360 -4.118 -4.118 78 2HG GLU 2 HG1 GLU 2 -8.512 -3.191 -3.191 79 H ALA 3 HN ALA 3 -7.570 -5.385 -5.385 80 HA ALA 3 HA ALA 3 -6.559 -8.087 -8.087 81 1HB ALA 3 HB3 ALA 3 -5.114 -5.691 -5.691 82 2HB ALA 3 HB2 ALA 3 -5.245 -7.030 -7.030 83 3HB ALA 3 HB1 ALA 3 -4.510 -7.292 -7.292 84 H ILE 4 HN ILE 4 -8.047 -9.012 -9.012 85 HA ILE 4 HA ILE 4 -10.164 -7.724 -7.724 86 HB ILE 4 HB ILE 4 -10.365 -9.950 -9.950 87 1HG1 ILE 4 HG12 ILE 4 -10.594 -10.674 -10.674 88 2HG1 ILE 4 HG11 ILE 4 -11.292 -9.096 -9.096 89 1HG2 ILE 4 HG21 ILE 4 -7.861 -10.387 -10.387 90 2HG2 ILE 4 HG23 ILE 4 -8.808 -11.209 -11.209 91 3HG2 ILE 4 HG22 ILE 4 -8.979 -11.671 -11.671 92 1HD1 ILE 4 HD13 ILE 4 -11.845 -11.466 -11.466 93 2HD1 ILE 4 HD12 ILE 4 -12.778 -11.174 -11.174 94 3HD1 ILE 4 HD11 ILE 4 -12.768 -9.977 -9.977 95 H ALA 5 HN ALA 5 -10.277 -6.784 -6.784 96 HA ALA 5 HA ALA 5 -8.109 -6.939 -6.939 97 1HB ALA 5 HB3 ALA 5 -10.820 -5.598 -5.598 98 2HB ALA 5 HB2 ALA 5 -9.889 -5.683 -5.683 99 3HB ALA 5 HB1 ALA 5 -9.226 -4.844 -4.844 100 H LYS 6 HN LYS 6 -7.978 -9.005 -9.005 101 HA LYS 6 HA LYS 6 -10.094 -10.834 -10.834 102 1HB LYS 6 HB2 LYS 6 -7.536 -10.638 -10.638 103 2HB LYS 6 HB1 LYS 6 -8.579 -12.056 -12.056 104 1HG LYS 6 HG2 LYS 6 -8.077 -12.382 -12.382 105 2HG LYS 6 HG1 LYS 6 -7.444 -10.750 -10.750 106 1HD LYS 6 HD2 LYS 6 -5.547 -12.199 -12.199 107 2HD LYS 6 HD1 LYS 6 -5.618 -11.393 -11.393 108 1HE LYS 6 HE2 LYS 6 -6.806 -13.365 -13.365 109 2HE LYS 6 HE1 LYS 6 -6.662 -14.173 -14.173 110 1HZ LYS 6 HZ1 LYS 6 -4.286 -13.121 -13.121 111 2HZ LYS 6 HZ3 LYS 6 -4.907 -14.654 -14.654 112 3HZ LYS 6 HZ2 LYS 6 -4.370 -14.317 -14.317 113 H TYR 7 HN TYR 7 -9.100 -8.179 -8.179 114 HA TYR 7 HA TYR 7 -11.452 -8.708 -8.708 115 1HB TYR 7 HB2 TYR 7 -8.747 -8.349 -8.349 116 2HB TYR 7 HB1 TYR 7 -10.257 -8.789 -8.789 117 HD1 TYR 7 HD2 TYR 7 -7.557 -9.954 -9.954 118 HD2 TYR 7 HD1 TYR 7 -11.061 -11.067 -11.067 119 HE1 TYR 7 HE2 TYR 7 -7.006 -12.343 -12.343 120 HE2 TYR 7 HE1 TYR 7 -10.516 -13.465 -13.465 121 HH TYR 7 HH TYR 7 -7.785 -14.651 -14.651 122 H ASP 8 HN ASP 8 -11.200 -6.995 -6.995 123 HA ASP 8 HA ASP 8 -11.335 -4.403 -4.403 124 1HB ASP 8 HB2 ASP 8 -12.373 -5.647 -5.647 125 2HB ASP 8 HB1 ASP 8 -11.532 -4.164 -4.164 126 H PHE 9 HN PHE 9 -10.221 -2.519 -2.519 127 HA PHE 9 HA PHE 9 -8.011 -2.681 -2.681 128 1HB PHE 9 HB2 PHE 9 -7.380 -3.945 -3.945 129 2HB PHE 9 HB1 PHE 9 -6.556 -2.392 -2.392 130 HD1 PHE 9 HD2 PHE 9 -7.336 -4.557 -4.557 131 HD2 PHE 9 HD1 PHE 9 -4.289 -2.911 -2.911 132 HE1 PHE 9 HE2 PHE 9 -5.584 -5.443 -5.443 133 HE2 PHE 9 HE1 PHE 9 -2.540 -3.800 -3.800 134 HZ PHE 9 HZ PHE 9 -3.188 -5.064 -5.064 135 H LYS 10 HN LYS 10 -6.413 -0.755 -0.755 136 HA LYS 10 HA LYS 10 -7.643 1.445 1.445 137 1HB LYS 10 HB2 LYS 10 -8.286 1.192 1.192 138 2HB LYS 10 HB1 LYS 10 -6.915 2.301 2.301 139 1HG LYS 10 HG2 LYS 10 -8.007 3.826 3.826 140 2HG LYS 10 HG1 LYS 10 -9.304 2.669 2.669 141 1HD LYS 10 HD2 LYS 10 -10.234 4.175 4.175 142 2HD LYS 10 HD1 LYS 10 -9.758 2.774 2.774 143 1HE LYS 10 HE2 LYS 10 -8.777 4.418 4.418 144 2HE LYS 10 HE1 LYS 10 -7.460 4.148 4.148 145 1HZ LYS 10 HZ3 LYS 10 -8.702 5.909 5.909 146 2HZ LYS 10 HZ2 LYS 10 -9.426 6.337 6.337 147 3HZ LYS 10 HZ1 LYS 10 -7.738 6.415 6.415 148 H ALA 11 HN ALA 11 -6.243 3.358 3.358 149 HA ALA 11 HA ALA 11 -3.589 2.576 2.576 150 1HB ALA 11 HB1 ALA 11 -5.055 4.661 4.661 151 2HB ALA 11 HB3 ALA 11 -4.192 5.436 5.436 152 3HB ALA 11 HB2 ALA 11 -3.290 4.730 4.730 153 H THR 12 HN THR 12 -1.747 2.630 2.630 154 HA THR 12 HA THR 12 -2.063 3.661 3.661 155 HB THR 12 HB THR 12 -0.528 1.905 1.905 156 HG1 THR 12 HG1 THR 12 0.462 0.602 0.602 157 1HG2 THR 12 HG21 THR 12 -3.097 1.510 1.510 158 2HG2 THR 12 HG23 THR 12 -2.376 0.367 0.367 159 3HG2 THR 12 HG22 THR 12 -2.076 0.202 0.202 160 H ALA 13 HN ALA 13 -1.223 5.324 5.324 161 HA ALA 13 HA ALA 13 1.182 6.458 6.458 162 1HB ALA 13 HB2 ALA 13 1.504 4.516 4.516 163 2HB ALA 13 HB1 ALA 13 2.539 5.945 5.945 164 3HB ALA 13 HB3 ALA 13 2.544 4.768 4.768 165 H ASP 14 HN ASP 14 2.176 7.915 7.915 166 HA ASP 14 HA ASP 14 -0.046 9.503 9.503 167 1HB ASP 14 HB2 ASP 14 2.155 10.217 10.217 168 2HB ASP 14 HB1 ASP 14 2.848 10.068 10.068 169 H ASP 15 HN ASP 15 1.404 6.836 6.836 170 HA ASP 15 HA ASP 15 0.838 7.644 7.644 171 1HB ASP 15 HB2 ASP 15 3.468 6.894 6.894 172 2HB ASP 15 HB1 ASP 15 3.015 6.066 6.066 173 H GLU 16 HN GLU 16 -0.433 5.914 5.914 174 HA GLU 16 HA GLU 16 -0.235 3.266 3.266 175 1HB GLU 16 HB2 GLU 16 0.108 3.591 3.591 176 2HB GLU 16 HB1 GLU 16 -1.641 3.769 3.769 177 1HG GLU 16 HG2 GLU 16 -2.022 1.582 1.582 178 2HG GLU 16 HG1 GLU 16 -0.652 1.477 1.477 179 H LEU 17 HN LEU 17 -2.513 2.106 2.106 180 HA LEU 17 HA LEU 17 -4.595 4.086 4.086 181 1HB LEU 17 HB2 LEU 17 -3.610 3.094 3.094 182 2HB LEU 17 HB1 LEU 17 -3.930 1.482 1.482 183 HG LEU 17 HG LEU 17 -6.353 1.971 1.971 184 1HD1 LEU 17 HD13 LEU 17 -5.439 4.662 4.662 185 2HD1 LEU 17 HD12 LEU 17 -6.400 4.257 4.257 186 3HD1 LEU 17 HD11 LEU 17 -7.094 4.089 4.089 187 1HD2 LEU 17 HD22 LEU 17 -4.951 1.112 1.112 188 2HD2 LEU 17 HD21 LEU 17 -6.637 1.579 1.579 189 3HD2 LEU 17 HD23 LEU 17 -5.344 2.688 2.688 190 H SER 18 HN SER 18 -6.760 3.509 3.509 191 HA SER 18 HA SER 18 -7.109 1.413 1.413 192 1HB SER 18 HB2 SER 18 -9.129 3.404 3.404 193 2HB SER 18 HB1 SER 18 -8.798 2.681 2.681 194 HG SER 18 HG SER 18 -8.064 5.007 5.007 195 H PHE 19 HN PHE 19 -9.183 0.195 0.195 196 HA PHE 19 HA PHE 19 -10.866 0.167 0.167 197 1HB PHE 19 HB2 PHE 19 -10.088 -1.914 -1.914 198 2HB PHE 19 HB1 PHE 19 -8.895 -0.625 -0.625 199 HD1 PHE 19 HD2 PHE 19 -9.839 -3.604 -3.604 200 HD2 PHE 19 HD1 PHE 19 -6.698 -0.960 -0.960 201 HE1 PHE 19 HE2 PHE 19 -8.157 -5.074 -5.074 202 HE2 PHE 19 HE1 PHE 19 -5.021 -2.428 -2.428 203 HZ PHE 19 HZ PHE 19 -5.751 -4.485 -4.485 204 H LYS 20 HN LYS 20 -12.262 -1.835 -1.835 205 HA LYS 20 HA LYS 20 -12.460 -2.943 -2.943 206 1HB LYS 20 HB2 LYS 20 -14.681 -2.560 -2.560 207 2HB LYS 20 HB1 LYS 20 -14.862 -3.047 -3.047 208 1HG LYS 20 HG2 LYS 20 -13.365 -0.542 -0.542 209 2HG LYS 20 HG1 LYS 20 -15.027 -0.460 -0.460 210 1HD LYS 20 HD2 LYS 20 -15.794 -0.347 -0.347 211 2HD LYS 20 HD1 LYS 20 -14.956 -1.839 -1.839 212 1HE LYS 20 HE2 LYS 20 -12.837 -0.458 -0.458 213 2HE LYS 20 HE1 LYS 20 -13.849 0.979 0.979 214 1HZ LYS 20 HZ3 LYS 20 -14.172 -1.149 -1.149 215 2HZ LYS 20 HZ2 LYS 20 -13.484 0.382 0.382 216 3HZ LYS 20 HZ1 LYS 20 -15.127 0.245 0.245 217 H ARG 21 HN ARG 21 -13.928 -5.015 -5.015 218 HA ARG 21 HA ARG 21 -12.458 -6.985 -6.985 219 1HB ARG 21 HB2 ARG 21 -13.540 -7.274 -7.274 220 2HB ARG 21 HB1 ARG 21 -15.094 -7.324 -7.324 221 1HG ARG 21 HG2 ARG 21 -14.639 -9.364 -9.364 222 2HG ARG 21 HG1 ARG 21 -12.891 -9.119 -9.119 223 1HD ARG 21 HD2 ARG 21 -12.717 -9.958 -9.958 224 2HD ARG 21 HD1 ARG 21 -14.198 -9.166 -9.166 225 HE ARG 21 HE ARG 21 -15.426 -11.106 -11.106 226 1HH1 ARG 21 HH21 ARG 21 -14.414 -11.795 -11.795 227 2HH1 ARG 21 HH22 ARG 21 -13.447 -13.204 -13.204 228 1HH2 ARG 21 HH11 ARG 21 -13.192 -12.685 -12.685 229 2HH2 ARG 21 HH12 ARG 21 -12.756 -13.708 -13.708 230 H GLY 22 HN GLY 22 -12.761 -6.976 -6.976 231 1HA GLY 22 HA2 GLY 22 -14.232 -7.908 -7.908 232 2HA GLY 22 HA1 GLY 22 -15.578 -7.075 -7.075 233 H ASP 23 HN ASP 23 -13.096 -4.911 -4.911 234 HA ASP 23 HA ASP 23 -14.029 -3.400 -3.400 235 1HB ASP 23 HB2 ASP 23 -12.604 -2.937 -2.937 236 2HB ASP 23 HB1 ASP 23 -12.112 -1.924 -1.924 237 H ILE 24 HN ILE 24 -13.063 -4.563 -4.563 238 HA ILE 24 HA ILE 24 -10.274 -5.269 -5.269 239 HB ILE 24 HB ILE 24 -11.839 -4.797 -4.797 240 1HG1 ILE 24 HG12 ILE 24 -12.138 -6.996 -6.996 241 2HG1 ILE 24 HG11 ILE 24 -13.411 -6.086 -6.086 242 1HG2 ILE 24 HG23 ILE 24 -9.286 -5.521 -5.521 243 2HG2 ILE 24 HG22 ILE 24 -10.024 -7.104 -7.104 244 3HG2 ILE 24 HG21 ILE 24 -10.239 -6.201 -6.201 245 1HD1 ILE 24 HD13 ILE 24 -12.301 -7.247 -7.247 246 2HD1 ILE 24 HD12 ILE 24 -11.879 -8.455 -8.455 247 3HD1 ILE 24 HD11 ILE 24 -13.571 -8.030 -8.030 248 H LEU 25 HN LEU 25 -8.576 -4.038 -4.038 249 HA LEU 25 HA LEU 25 -8.942 -1.173 -1.173 250 1HB LEU 25 HB2 LEU 25 -6.435 -2.701 -2.701 251 2HB LEU 25 HB1 LEU 25 -6.655 -0.952 -0.952 252 HG LEU 25 HG LEU 25 -8.722 -1.615 -1.615 253 1HD1 LEU 25 HD13 LEU 25 -6.931 -4.014 -4.014 254 2HD1 LEU 25 HD12 LEU 25 -7.649 -3.516 -3.516 255 3HD1 LEU 25 HD11 LEU 25 -8.685 -3.932 -3.932 256 1HD2 LEU 25 HD21 LEU 25 -6.389 -0.394 -0.394 257 2HD2 LEU 25 HD23 LEU 25 -7.440 -0.831 -0.831 258 3HD2 LEU 25 HD22 LEU 25 -6.065 -1.853 -1.853 259 H LYS 26 HN LYS 26 -7.161 -0.101 -0.101 260 HA LYS 26 HA LYS 26 -6.878 -1.739 -1.739 261 1HB LYS 26 HB2 LYS 26 -8.034 0.572 0.572 262 2HB LYS 26 HB1 LYS 26 -6.424 1.243 1.243 263 1HG LYS 26 HG2 LYS 26 -5.820 -0.342 -0.342 264 2HG LYS 26 HG1 LYS 26 -7.537 -0.140 -0.140 265 1HD LYS 26 HD2 LYS 26 -6.981 2.417 2.417 266 2HD LYS 26 HD1 LYS 26 -5.353 1.905 1.905 267 1HE LYS 26 HE2 LYS 26 -6.168 2.403 2.403 268 2HE LYS 26 HE1 LYS 26 -6.678 0.719 0.719 269 1HZ LYS 26 HZ2 LYS 26 -8.399 2.948 2.948 270 2HZ LYS 26 HZ1 LYS 26 -8.419 2.395 2.395 271 3HZ LYS 26 HZ3 LYS 26 -8.846 1.345 1.345 272 H VAL 27 HN VAL 27 -4.875 -2.764 -2.764 273 HA VAL 27 HA VAL 27 -2.717 -1.813 -1.813 274 HB VAL 27 HB VAL 27 -2.313 -3.618 -3.618 275 1HG1 VAL 27 HG12 VAL 27 -0.417 -2.689 -2.689 276 2HG1 VAL 27 HG11 VAL 27 -1.069 -3.764 -3.764 277 3HG1 VAL 27 HG13 VAL 27 -0.461 -4.431 -4.431 278 1HG2 VAL 27 HG23 VAL 27 -3.535 -4.227 -4.227 279 2HG2 VAL 27 HG22 VAL 27 -4.198 -4.603 -4.603 280 3HG2 VAL 27 HG21 VAL 27 -2.786 -5.474 -5.474 281 H LEU 28 HN LEU 28 -1.799 0.041 0.041 282 HA LEU 28 HA LEU 28 -1.425 1.352 1.352 283 1HB LEU 28 HB2 LEU 28 -0.982 1.972 1.972 284 2HB LEU 28 HB1 LEU 28 0.050 2.813 2.813 285 HG LEU 28 HG LEU 28 -1.824 3.851 3.851 286 1HD1 LEU 28 HD12 LEU 28 -3.313 1.784 1.784 287 2HD1 LEU 28 HD11 LEU 28 -3.695 2.235 2.235 288 3HD1 LEU 28 HD13 LEU 28 -4.134 3.306 3.306 289 1HD2 LEU 28 HD21 LEU 28 -2.032 3.790 3.790 290 2HD2 LEU 28 HD23 LEU 28 -1.257 5.008 5.008 291 3HD2 LEU 28 HD22 LEU 28 -3.013 4.880 4.880 292 H ASN 29 HN ASN 29 0.597 -0.040 -0.040 293 HA ASN 29 HA ASN 29 2.749 -0.465 -0.465 294 1HB ASN 29 HB2 ASN 29 3.138 1.564 1.564 295 2HB ASN 29 HB1 ASN 29 3.349 0.389 0.389 296 1HD2 ASN 29 HD22 ASN 29 6.581 1.164 1.164 297 2HD2 ASN 29 HD21 ASN 29 5.331 2.226 2.226 298 H GLU 30 HN GLU 30 3.033 -2.631 -2.631 299 HA GLU 30 HA GLU 30 2.521 -4.292 -4.292 300 1HB GLU 30 HB2 GLU 30 1.837 -4.708 -4.708 301 2HB GLU 30 HB1 GLU 30 3.384 -5.552 -5.552 302 1HG GLU 30 HG2 GLU 30 2.657 -6.966 -6.966 303 2HG GLU 30 HG1 GLU 30 1.203 -6.001 -6.001 304 H GLU 31 HN GLU 31 4.192 -6.183 -6.183 305 HA GLU 31 HA GLU 31 6.415 -6.849 -6.849 306 1HB GLU 31 HB2 GLU 31 7.297 -4.760 -4.760 307 2HB GLU 31 HB1 GLU 31 8.132 -6.242 -6.242 308 1HG GLU 31 HG2 GLU 31 5.747 -7.255 -7.255 309 2HG GLU 31 HG1 GLU 31 5.905 -5.848 -5.848 310 H CYS 32 HN CYS 32 8.716 -5.481 -5.481 311 HA CYS 32 HA CYS 32 9.853 -4.302 -4.302 312 1HB CYS 32 HB2 CYS 32 9.729 -1.934 -1.934 313 2HB CYS 32 HB1 CYS 32 9.407 -2.604 -2.604 314 HG CYS 32 HG CYS 32 7.569 -0.756 -0.756 315 H ASP 33 HN ASP 33 9.185 -2.318 -2.318 316 HA ASP 33 HA ASP 33 8.356 -1.928 -1.928 317 1HB ASP 33 HB2 ASP 33 6.297 -1.581 -1.581 318 2HB ASP 33 HB1 ASP 33 5.973 -3.279 -3.279 319 H GLN 34 HN GLN 34 7.631 -3.051 -3.051 320 HA GLN 34 HA GLN 34 8.860 -5.685 -5.685 321 1HB GLN 34 HB2 GLN 34 7.764 -3.951 -3.951 322 2HB GLN 34 HB1 GLN 34 8.582 -5.494 -5.494 323 1HG GLN 34 HG2 GLN 34 10.638 -4.661 -4.661 324 2HG GLN 34 HG1 GLN 34 9.853 -3.215 -3.215 325 1HE2 GLN 34 HE22 GLN 34 11.447 -2.935 -2.935 326 2HE2 GLN 34 HE21 GLN 34 11.927 -4.012 -4.012 327 H ASN 35 HN ASN 35 6.815 -6.268 -6.268 328 HA ASN 35 HA ASN 35 5.032 -7.723 -7.723 329 1HB ASN 35 HB2 ASN 35 5.619 -7.972 -7.972 330 2HB ASN 35 HB1 ASN 35 4.059 -8.527 -8.527 331 1HD2 ASN 35 HD22 ASN 35 7.415 -10.600 -10.600 332 2HD2 ASN 35 HD21 ASN 35 7.519 -9.136 -9.136 333 H TRP 36 HN TRP 36 4.567 -4.922 -4.922 334 HA TRP 36 HA TRP 36 1.654 -4.993 -4.993 335 1HB TRP 36 HB2 TRP 36 3.329 -2.487 -2.487 336 2HB TRP 36 HB1 TRP 36 1.595 -2.662 -2.662 337 HD1 TRP 36 HD1 TRP 36 4.633 -4.790 -4.790 338 HE1 TRP 36 HE1 TRP 36 4.484 -5.182 -5.182 339 HE3 TRP 36 HE3 TRP 36 0.406 -2.093 -2.093 340 HZ2 TRP 36 HZ2 TRP 36 2.878 -4.452 -4.452 341 HZ3 TRP 36 HZ3 TRP 36 -0.346 -1.927 -1.927 342 HH2 TRP 36 HH2 TRP 36 0.872 -3.102 -3.102 343 H TYR 37 HN TYR 37 0.416 -4.236 -4.236 344 HA TYR 37 HA TYR 37 1.856 -3.360 -3.360 345 1HB TYR 37 HB2 TYR 37 -1.064 -4.048 -4.048 346 2HB TYR 37 HB1 TYR 37 -0.420 -3.490 -3.490 347 HD1 TYR 37 HD2 TYR 37 2.026 -4.912 -4.912 348 HD2 TYR 37 HD1 TYR 37 -1.596 -6.263 -6.263 349 HE1 TYR 37 HE2 TYR 37 2.572 -7.254 -7.254 350 HE2 TYR 37 HE1 TYR 37 -1.072 -8.590 -8.590 351 HH TYR 37 HH TYR 37 0.714 -9.967 -9.967 352 H LYS 38 HN LYS 38 1.745 -1.292 -1.292 353 HA LYS 38 HA LYS 38 0.366 0.804 0.804 354 1HB LYS 38 HB2 LYS 38 2.498 1.225 1.225 355 2HB LYS 38 HB1 LYS 38 1.603 0.921 0.921 356 1HG LYS 38 HG2 LYS 38 -0.045 2.732 2.732 357 2HG LYS 38 HG1 LYS 38 1.441 3.243 3.243 358 1HD LYS 38 HD2 LYS 38 2.004 2.710 2.710 359 2HD LYS 38 HD1 LYS 38 0.626 3.806 3.806 360 1HE LYS 38 HE2 LYS 38 2.118 5.040 5.040 361 2HE LYS 38 HE1 LYS 38 3.440 4.208 4.208 362 1HZ LYS 38 HZ2 LYS 38 1.404 5.876 5.876 363 2HZ LYS 38 HZ1 LYS 38 2.943 6.433 6.433 364 3HZ LYS 38 HZ3 LYS 38 2.798 5.192 5.192 365 H ALA 39 HN ALA 39 -1.660 1.794 1.794 366 HA ALA 39 HA ALA 39 -2.868 0.961 0.961 367 1HB ALA 39 HB2 ALA 39 -3.848 -0.371 -0.371 368 2HB ALA 39 HB1 ALA 39 -4.667 -0.458 -0.458 369 3HB ALA 39 HB3 ALA 39 -3.061 -1.172 -1.172 370 H GLU 40 HN GLU 40 -5.412 1.194 1.194 371 HA GLU 40 HA GLU 40 -5.977 3.524 3.524 372 1HB GLU 40 HB2 GLU 40 -5.640 5.076 5.076 373 2HB GLU 40 HB1 GLU 40 -4.831 3.833 3.833 374 1HG GLU 40 HG2 GLU 40 -6.926 3.357 3.357 375 2HG GLU 40 HG1 GLU 40 -7.806 4.484 4.484 376 H LEU 41 HN LEU 41 -7.933 3.647 3.647 377 HA LEU 41 HA LEU 41 -9.942 1.876 1.876 378 1HB LEU 41 HB2 LEU 41 -9.503 2.817 2.817 379 2HB LEU 41 HB1 LEU 41 -11.174 2.545 2.545 380 HG LEU 41 HG LEU 41 -9.071 0.533 0.533 381 1HD1 LEU 41 HD13 LEU 41 -10.358 1.096 1.096 382 2HD1 LEU 41 HD12 LEU 41 -10.027 -0.577 -0.577 383 3HD1 LEU 41 HD11 LEU 41 -8.707 0.587 0.587 384 1HD2 LEU 41 HD23 LEU 41 -11.404 0.549 0.549 385 2HD2 LEU 41 HD22 LEU 41 -10.970 -0.935 -0.935 386 3HD2 LEU 41 HD21 LEU 41 -12.005 0.266 0.266 387 H ASN 42 HN ASN 42 -10.712 2.945 2.945 388 HA ASN 42 HA ASN 42 -11.864 4.598 4.598 389 1HB ASN 42 HB2 ASN 42 -13.271 3.994 3.994 390 2HB ASN 42 HB1 ASN 42 -13.873 5.353 5.353 391 1HD2 ASN 42 HD22 ASN 42 -14.929 1.707 1.707 392 2HD2 ASN 42 HD21 ASN 42 -14.433 2.142 2.142 393 H GLY 43 HN GLY 43 -9.705 5.800 5.800 394 1HA GLY 43 HA2 GLY 43 -9.701 8.429 8.429 395 2HA GLY 43 HA1 GLY 43 -10.906 8.401 8.401 396 H LYS 44 HN LYS 44 -9.623 6.372 6.372 397 HA LYS 44 HA LYS 44 -7.537 7.997 7.997 398 1HB LYS 44 HB2 LYS 44 -9.185 5.660 5.660 399 2HB LYS 44 HB1 LYS 44 -7.602 5.922 5.922 400 1HG LYS 44 HG2 LYS 44 -8.212 7.830 7.830 401 2HG LYS 44 HG1 LYS 44 -9.295 8.326 8.326 402 1HD LYS 44 HD2 LYS 44 -9.918 6.028 6.028 403 2HD LYS 44 HD1 LYS 44 -10.460 7.683 7.683 404 1HE LYS 44 HE2 LYS 44 -10.976 6.498 6.498 405 2HE LYS 44 HE1 LYS 44 -11.977 5.955 5.955 406 1HZ LYS 44 HZ1 LYS 44 -12.408 8.329 8.329 407 2HZ LYS 44 HZ3 LYS 44 -11.590 8.746 8.746 408 3HZ LYS 44 HZ2 LYS 44 -13.019 7.830 7.830 409 H ASP 45 HN ASP 45 -5.681 6.608 6.608 410 HA ASP 45 HA ASP 45 -4.932 4.389 4.389 411 1HB ASP 45 HB2 ASP 45 -3.626 5.298 5.298 412 2HB ASP 45 HB1 ASP 45 -4.775 6.601 6.601 413 H GLY 46 HN GLY 46 -2.383 4.057 4.057 414 1HA GLY 46 HA2 GLY 46 -0.479 4.716 4.716 415 2HA GLY 46 HA1 GLY 46 -1.643 4.574 4.574 416 H PHE 47 HN PHE 47 0.517 3.075 3.075 417 HA PHE 47 HA PHE 47 0.526 0.482 0.482 418 1HB PHE 47 HB2 PHE 47 1.725 1.489 1.489 419 2HB PHE 47 HB1 PHE 47 2.024 -0.120 -0.120 420 HD1 PHE 47 HD1 PHE 47 2.594 -0.049 -0.049 421 HD2 PHE 47 HD2 PHE 47 3.323 3.097 3.097 422 HE1 PHE 47 HE1 PHE 47 4.346 0.886 0.886 423 HE2 PHE 47 HE2 PHE 47 5.074 4.031 4.031 424 HZ PHE 47 HZ PHE 47 5.586 2.925 2.925 425 H ILE 48 HN ILE 48 -0.115 -1.567 -1.567 426 HA ILE 48 HA ILE 48 -1.849 -1.501 -1.501 427 HB ILE 48 HB ILE 48 -3.462 -3.047 -3.047 428 1HG1 ILE 48 HG12 ILE 48 -2.529 -1.838 -1.838 429 2HG1 ILE 48 HG11 ILE 48 -1.572 -3.173 -3.173 430 1HG2 ILE 48 HG22 ILE 48 -3.521 -0.388 -0.388 431 2HG2 ILE 48 HG21 ILE 48 -3.481 -0.433 -0.433 432 3HG2 ILE 48 HG23 ILE 48 -4.779 -1.248 -1.248 433 1HD1 ILE 48 HD12 ILE 48 -4.487 -3.623 -3.623 434 2HD1 ILE 48 HD11 ILE 48 -3.832 -3.470 -3.470 435 3HD1 ILE 48 HD13 ILE 48 -3.198 -4.701 -4.701 436 HA PRO 49 HA PRO 49 0.666 -5.080 -5.080 437 1HB PRO 49 HB2 PRO 49 -0.772 -6.290 -6.290 438 2HB PRO 49 HB1 PRO 49 0.341 -4.932 -4.932 439 1HG PRO 49 HG2 PRO 49 -2.662 -4.929 -4.929 440 2HG PRO 49 HG1 PRO 49 -1.565 -3.839 -3.839 441 1HD PRO 49 HD2 PRO 49 -2.860 -3.193 -3.193 442 2HD PRO 49 HD1 PRO 49 -1.466 -2.358 -2.358 443 H LYS 50 HN LYS 50 0.634 -6.531 -6.531 444 HA LYS 50 HA LYS 50 -1.430 -7.707 -7.707 445 1HB LYS 50 HB2 LYS 50 1.364 -8.364 -8.364 446 2HB LYS 50 HB1 LYS 50 0.402 -9.774 -9.774 447 1HG LYS 50 HG2 LYS 50 -0.277 -8.820 -8.820 448 2HG LYS 50 HG1 LYS 50 0.355 -7.232 -7.232 449 1HD LYS 50 HD2 LYS 50 2.457 -9.233 -9.233 450 2HD LYS 50 HD1 LYS 50 1.748 -9.275 -9.275 451 1HE LYS 50 HE2 LYS 50 1.982 -6.674 -6.674 452 2HE LYS 50 HE1 LYS 50 3.143 -7.018 -7.018 453 1HZ LYS 50 HZ3 LYS 50 3.317 -8.455 -8.455 454 2HZ LYS 50 HZ2 LYS 50 3.937 -6.877 -6.877 455 3HZ LYS 50 HZ1 LYS 50 4.541 -8.108 -8.108 456 H ASN 51 HN ASN 51 -0.606 -8.587 -8.587 457 HA ASN 51 HA ASN 51 -1.521 -11.177 -11.177 458 1HB ASN 51 HB2 ASN 51 -1.149 -9.037 -9.037 459 2HB ASN 51 HB1 ASN 51 -2.107 -10.379 -10.379 460 1HD2 ASN 51 HD22 ASN 51 0.653 -12.566 -12.566 461 2HD2 ASN 51 HD21 ASN 51 -1.031 -12.386 -12.386 462 H TYR 52 HN TYR 52 -3.261 -8.193 -8.193 463 HA TYR 52 HA TYR 52 -5.849 -9.607 -9.607 464 1HB TYR 52 HB2 TYR 52 -5.016 -6.721 -6.721 465 2HB TYR 52 HB1 TYR 52 -6.695 -7.184 -7.184 466 HD1 TYR 52 HD2 TYR 52 -4.011 -9.091 -9.091 467 HD2 TYR 52 HD1 TYR 52 -7.376 -6.487 -6.487 468 HE1 TYR 52 HE2 TYR 52 -4.066 -9.377 -9.377 469 HE2 TYR 52 HE1 TYR 52 -7.428 -6.752 -6.752 470 HH TYR 52 HH TYR 52 -6.002 -7.397 -7.397 471 H ILE 53 HN ILE 53 -4.214 -9.690 -9.690 472 HA ILE 53 HA ILE 53 -6.166 -8.581 -8.581 473 HB ILE 53 HB ILE 53 -3.520 -8.094 -8.094 474 1HG1 ILE 53 HG12 ILE 53 -3.187 -7.531 -7.531 475 2HG1 ILE 53 HG11 ILE 53 -2.791 -6.270 -6.270 476 1HG2 ILE 53 HG22 ILE 53 -5.661 -7.351 -7.351 477 2HG2 ILE 53 HG21 ILE 53 -5.834 -6.206 -6.206 478 3HG2 ILE 53 HG23 ILE 53 -4.481 -6.059 -6.059 479 1HD1 ILE 53 HD11 ILE 53 -5.544 -6.086 -6.086 480 2HD1 ILE 53 HD13 ILE 53 -4.542 -6.136 -6.136 481 3HD1 ILE 53 HD12 ILE 53 -4.249 -4.916 -4.916 482 H GLU 54 HN GLU 54 -5.923 -9.301 -9.301 483 HA GLU 54 HA GLU 54 -4.094 -11.433 -11.433 484 1HB GLU 54 HB2 GLU 54 -6.900 -11.885 -11.885 485 2HB GLU 54 HB1 GLU 54 -6.429 -12.364 -12.364 486 1HG GLU 54 HG2 GLU 54 -4.666 -13.184 -13.184 487 2HG GLU 54 HG1 GLU 54 -6.189 -14.048 -14.048 488 H MET 55 HN MET 55 -3.879 -11.631 -11.631 489 HA MET 55 HA MET 55 -4.724 -9.080 -9.080 490 1HB MET 55 HB2 MET 55 -2.933 -9.854 -9.854 491 2HB MET 55 HB1 MET 55 -2.425 -9.118 -9.118 492 1HG MET 55 HG2 MET 55 -1.822 -11.200 -11.200 493 2HG MET 55 HG1 MET 55 -2.722 -12.106 -12.106 494 1HE MET 55 HE1 MET 55 -0.274 -12.894 -12.894 495 2HE MET 55 HE3 MET 55 0.997 -12.993 -12.993 496 3HE MET 55 HE2 MET 55 1.001 -11.681 -11.681 497 H LYS 56 HN LYS 56 -6.461 -9.183 -9.183 498 HA LYS 56 HA LYS 56 -7.027 -11.610 -11.610 499 1HB LYS 56 HB2 LYS 56 -8.619 -9.407 -9.407 500 2HB LYS 56 HB1 LYS 56 -9.195 -10.175 -10.175 501 1HG LYS 56 HG2 LYS 56 -9.211 -12.343 -12.343 502 2HG LYS 56 HG1 LYS 56 -8.332 -11.727 -11.727 503 1HD LYS 56 HD2 LYS 56 -10.754 -12.014 -12.014 504 2HD LYS 56 HD1 LYS 56 -10.259 -10.328 -10.328 505 1HE LYS 56 HE2 LYS 56 -11.121 -9.874 -9.874 506 2HE LYS 56 HE1 LYS 56 -11.575 -11.570 -11.570 507 1HZ LYS 56 HZ3 LYS 56 -12.588 -10.096 -10.096 508 2HZ LYS 56 HZ2 LYS 56 -13.300 -9.801 -9.801 509 3HZ LYS 56 HZ1 LYS 56 -13.298 -11.371 -11.371 510 HA PRO 57 HA PRO 57 -6.095 -9.708 -9.708 511 1HB PRO 57 HB2 PRO 57 -7.538 -11.238 -11.238 512 2HB PRO 57 HB1 PRO 57 -6.017 -11.755 -11.755 513 1HG PRO 57 HG2 PRO 57 -8.787 -12.555 -12.555 514 2HG PRO 57 HG1 PRO 57 -7.284 -13.425 -13.425 515 1HD PRO 57 HD2 PRO 57 -8.741 -12.037 -12.037 516 2HD PRO 57 HD1 PRO 57 -7.084 -12.655 -12.655 517 H HIS 58 HN HIS 58 -7.626 -9.335 -9.335 518 HA HIS 58 HA HIS 58 -10.076 -7.918 -7.918 519 1HB HIS 58 HB2 HIS 58 -9.537 -6.065 -6.065 520 2HB HIS 58 HB1 HIS 58 -8.344 -6.214 -6.214 521 HD1 HIS 58 HD1 HIS 58 -8.839 -7.051 -7.051 522 HD2 HIS 58 HD2 HIS 58 -5.751 -6.842 -6.842 523 HE1 HIS 58 HE1 HIS 58 -6.681 -7.331 -7.331 524 HA PRO 59 HA PRO 59 -11.671 -10.234 -10.234 525 1HB PRO 59 HB2 PRO 59 -14.214 -9.187 -9.187 526 2HB PRO 59 HB1 PRO 59 -13.677 -10.410 -10.410 527 1HG PRO 59 HG2 PRO 59 -14.173 -7.500 -7.500 528 2HG PRO 59 HG1 PRO 59 -14.227 -8.834 -8.834 529 1HD PRO 59 HD2 PRO 59 -12.100 -6.975 -6.975 530 2HD PRO 59 HD1 PRO 59 -12.053 -8.475 -8.475 531 H GLU 60 HN GLU 60 -13.384 -7.113 -7.113 532 HA GLU 60 HA GLU 60 -11.930 -6.548 -6.548 533 1HB GLU 60 HB2 GLU 60 -14.889 -6.749 -6.749 534 2HB GLU 60 HB1 GLU 60 -14.287 -5.606 -5.606 535 1HG GLU 60 HG2 GLU 60 -13.205 -8.392 -8.392 536 2HG GLU 60 HG1 GLU 60 -14.843 -8.129 -8.129 537 H PHE 61 HN PHE 61 -12.699 -4.160 -4.160 538 HA PHE 61 HA PHE 61 -11.762 -2.399 -2.399 539 1HB PHE 61 HB2 PHE 61 -12.917 -2.023 -2.023 540 2HB PHE 61 HB1 PHE 61 -12.746 -0.624 -0.624 541 HD1 PHE 61 HD1 PHE 61 -10.478 -0.066 -0.066 542 HD2 PHE 61 HD2 PHE 61 -11.025 -3.015 -3.015 543 HE1 PHE 61 HE1 PHE 61 -8.060 0.048 0.048 544 HE2 PHE 61 HE2 PHE 61 -8.607 -2.901 -2.901 545 HZ PHE 61 HZ PHE 61 -7.125 -1.370 -1.370 546 H ILE 62 HN ILE 62 -14.845 -1.765 -1.765 547 HA ILE 62 HA ILE 62 -16.329 -1.929 -1.929 548 HB ILE 62 HB ILE 62 -16.364 0.637 0.637 549 1HG1 ILE 62 HG12 ILE 62 -14.881 0.053 0.053 550 2HG1 ILE 62 HG11 ILE 62 -14.120 0.313 0.313 551 1HG2 ILE 62 HG23 ILE 62 -18.309 -0.176 -0.176 552 2HG2 ILE 62 HG22 ILE 62 -17.220 0.233 0.233 553 3HG2 ILE 62 HG21 ILE 62 -17.729 1.480 1.480 554 1HD1 ILE 62 HD13 ILE 62 -15.907 2.346 2.346 555 2HD1 ILE 62 HD12 ILE 62 -14.146 2.363 2.363 556 3HD1 ILE 62 HD11 ILE 62 -14.953 2.587 2.587 557 H VAL 63 HN VAL 63 -17.682 -3.501 -3.501 558 HA VAL 63 HA VAL 63 -19.679 -2.487 -2.487 559 HB VAL 63 HB VAL 63 -17.899 -3.387 -3.387 560 1HG1 VAL 63 HG13 VAL 63 -17.392 -5.188 -5.188 561 2HG1 VAL 63 HG12 VAL 63 -18.410 -6.177 -6.177 562 3HG1 VAL 63 HG11 VAL 63 -16.935 -5.451 -5.451 563 1HG2 VAL 63 HG22 VAL 63 -20.535 -3.787 -3.787 564 2HG2 VAL 63 HG21 VAL 63 -19.379 -4.444 -4.444 565 3HG2 VAL 63 HG23 VAL 63 -20.033 -5.474 -5.474 566 H THR 64 HN THR 64 -20.100 -3.060 -3.060 567 HA THR 64 HA THR 64 -22.085 -5.193 -5.193 568 HB THR 64 HB THR 64 -19.798 -5.537 -5.537 569 HG1 THR 64 HG1 THR 64 -18.819 -6.472 -6.472 570 1HG2 THR 64 HG22 THR 64 -22.390 -6.899 -6.899 571 2HG2 THR 64 HG21 THR 64 -21.013 -7.924 -7.924 572 3HG2 THR 64 HG23 THR 64 -21.535 -6.667 -6.667 573 H ASP 65 HN ASP 65 -23.601 -3.680 -3.680 574 HA ASP 65 HA ASP 65 -23.710 -3.163 -3.163 575 1HB ASP 65 HB2 ASP 65 -22.096 -1.377 -1.377 576 2HB ASP 65 HB1 ASP 65 -23.653 -0.588 -0.588 577 1H SER 1 HT3 SER 1 -5.706 -15.027 -15.027 578 2H SER 1 HT2 SER 1 -5.326 -15.981 -15.981 579 3H SER 1 HT1 SER 1 -4.605 -14.457 -14.457 580 HA SER 1 HA SER 1 -3.043 -15.189 -15.189 581 1HB SER 1 HB2 SER 1 -3.952 -17.427 -17.427 582 2HB SER 1 HB1 SER 1 -3.036 -17.934 -17.934 583 HG SER 1 HG SER 1 -1.920 -17.252 -17.252 584 HA PRO 2 HA PRO 2 -5.107 -18.089 -18.089 585 1HB PRO 2 HB2 PRO 2 -7.670 -18.974 -18.974 586 2HB PRO 2 HB1 PRO 2 -6.224 -19.853 -19.853 587 1HG PRO 2 HG2 PRO 2 -8.152 -18.272 -18.272 588 2HG PRO 2 HG1 PRO 2 -7.104 -19.614 -19.614 589 1HD PRO 2 HD2 PRO 2 -6.623 -16.859 -16.859 590 2HD PRO 2 HD1 PRO 2 -5.457 -18.180 -18.180 591 H LEU 3 HN LEU 3 -7.180 -15.777 -15.777 592 HA LEU 3 HA LEU 3 -8.952 -15.119 -15.119 593 1HB LEU 3 HB2 LEU 3 -8.328 -14.115 -14.115 594 2HB LEU 3 HB1 LEU 3 -8.364 -12.751 -12.751 595 HG LEU 3 HG LEU 3 -10.550 -14.775 -14.775 596 1HD1 LEU 3 HD11 LEU 3 -10.231 -14.266 -14.266 597 2HD1 LEU 3 HD13 LEU 3 -10.579 -12.580 -12.580 598 3HD1 LEU 3 HD12 LEU 3 -11.807 -13.816 -13.816 599 1HD2 LEU 3 HD21 LEU 3 -10.350 -11.755 -11.755 600 2HD2 LEU 3 HD23 LEU 3 -10.461 -12.907 -12.907 601 3HD2 LEU 3 HD22 LEU 3 -11.834 -12.677 -12.677 602 H LEU 4 HN LEU 4 -8.554 -12.329 -12.329 603 HA LEU 4 HA LEU 4 -6.861 -12.264 -12.264 604 1HB LEU 4 HB2 LEU 4 -7.761 -10.043 -10.043 605 2HB LEU 4 HB1 LEU 4 -6.859 -9.742 -9.742 606 HG LEU 4 HG LEU 4 -9.239 -11.523 -11.523 607 1HD1 LEU 4 HD12 LEU 4 -9.327 -8.688 -8.688 608 2HD1 LEU 4 HD11 LEU 4 -10.442 -9.134 -9.134 609 3HD1 LEU 4 HD13 LEU 4 -10.495 -9.986 -9.986 610 1HD2 LEU 4 HD23 LEU 4 -7.706 -10.838 -10.838 611 2HD2 LEU 4 HD22 LEU 4 -9.412 -10.473 -10.473 612 3HD2 LEU 4 HD21 LEU 4 -8.297 -9.190 -9.190 613 HA PRO 5 HA PRO 5 -3.003 -12.307 -12.307 614 1HB PRO 5 HB2 PRO 5 -1.382 -13.131 -13.131 615 2HB PRO 5 HB1 PRO 5 -2.371 -14.232 -14.232 616 1HG PRO 5 HG2 PRO 5 -2.787 -13.324 -13.324 617 2HG PRO 5 HG1 PRO 5 -3.378 -14.789 -14.789 618 1HD PRO 5 HD2 PRO 5 -4.874 -12.414 -12.414 619 2HD PRO 5 HD1 PRO 5 -5.388 -13.800 -13.800 620 H LYS 6 HN LYS 6 -4.031 -9.837 -9.837 621 HA LYS 6 HA LYS 6 -3.215 -7.857 -7.857 622 1HB LYS 6 HB2 LYS 6 -1.454 -6.808 -6.808 623 2HB LYS 6 HB1 LYS 6 -2.684 -7.583 -7.583 624 1HG LYS 6 HG2 LYS 6 -1.261 -9.444 -9.444 625 2HG LYS 6 HG1 LYS 6 -0.104 -8.965 -8.965 626 1HD LYS 6 HD2 LYS 6 0.848 -7.348 -7.348 627 2HD LYS 6 HD1 LYS 6 -0.681 -6.939 -6.939 628 1HE LYS 6 HE2 LYS 6 0.970 -9.425 -9.425 629 2HE LYS 6 HE1 LYS 6 0.862 -8.010 -8.010 630 1HZ LYS 6 HZ2 LYS 6 -1.682 -8.493 -8.493 631 2HZ LYS 6 HZ1 LYS 6 -1.151 -10.067 -10.067 632 3HZ LYS 6 HZ3 LYS 6 -0.728 -9.347 -9.347 633 H LEU 7 HN LEU 7 0.012 -7.493 -7.493 634 HA LEU 7 HA LEU 7 0.539 -8.856 -8.856 635 1HB LEU 7 HB2 LEU 7 0.956 -6.096 -6.096 636 2HB LEU 7 HB1 LEU 7 2.318 -6.788 -6.788 637 HG LEU 7 HG LEU 7 0.687 -5.603 -5.603 638 1HD1 LEU 7 HD13 LEU 7 2.105 -7.791 -7.791 639 2HD1 LEU 7 HD12 LEU 7 0.499 -8.487 -8.487 640 3HD1 LEU 7 HD11 LEU 7 1.003 -7.110 -7.110 641 1HD2 LEU 7 HD22 LEU 7 -1.269 -6.732 -6.732 642 2HD2 LEU 7 HD21 LEU 7 -1.542 -6.133 -6.133 643 3HD2 LEU 7 HD23 LEU 7 -1.248 -7.852 -7.852 644 HA PRO 8 HA PRO 8 3.799 -10.368 -10.368 645 1HB PRO 8 HB2 PRO 8 3.275 -13.045 -13.045 646 2HB PRO 8 HB1 PRO 8 2.434 -12.006 -12.006 647 1HG PRO 8 HG2 PRO 8 1.385 -13.225 -13.225 648 2HG PRO 8 HG1 PRO 8 0.497 -12.569 -12.569 649 1HD PRO 8 HD2 PRO 8 1.004 -11.285 -11.285 650 2HD PRO 8 HD1 PRO 8 0.109 -10.646 -10.646 651 HA PRO 9 HA PRO 9 6.518 -11.805 -11.805 652 1HB PRO 9 HB2 PRO 9 8.194 -13.544 -13.544 653 2HB PRO 9 HB1 PRO 9 8.283 -11.784 -11.784 654 1HG PRO 9 HG2 PRO 9 7.224 -13.812 -13.812 655 2HG PRO 9 HG1 PRO 9 7.883 -12.200 -12.200 656 1HD PRO 9 HD2 PRO 9 5.132 -12.898 -12.898 657 2HD PRO 9 HD1 PRO 9 5.796 -11.251 -11.251 658 H LYS 10 HN LYS 10 7.701 -14.345 -14.345 659 HA LYS 10 HA LYS 10 5.572 -16.378 -16.378 660 1HB LYS 10 HB2 LYS 10 5.214 -14.940 -14.940 661 2HB LYS 10 HB1 LYS 10 6.667 -15.730 -15.730 662 1HG LYS 10 HG2 LYS 10 4.845 -17.067 -17.067 663 2HG LYS 10 HG1 LYS 10 5.540 -17.949 -17.949 664 1HD LYS 10 HD2 LYS 10 3.765 -16.486 -16.486 665 2HD LYS 10 HD1 LYS 10 2.936 -16.496 -16.496 666 1HE LYS 10 HE2 LYS 10 2.156 -18.547 -18.547 667 2HE LYS 10 HE1 LYS 10 3.809 -19.151 -19.151 668 1HZ LYS 10 HZ1 LYS 10 2.709 -17.895 -17.895 669 2HZ LYS 10 HZ3 LYS 10 2.637 -19.564 -19.564 670 3HZ LYS 10 HZ2 LYS 10 4.144 -18.790 -18.790 671 H THR 11 HN THR 11 6.363 -18.514 -18.514 672 HA THR 11 HA THR 11 9.309 -18.723 -18.723 673 HB THR 11 HB THR 11 7.689 -20.168 -20.168 674 HG1 THR 11 HG1 THR 11 9.827 -18.326 -18.326 675 1HG2 THR 11 HG22 THR 11 9.980 -21.068 -21.068 676 2HG2 THR 11 HG21 THR 11 10.590 -20.375 -20.375 677 3HG2 THR 11 HG23 THR 11 9.378 -21.655 -21.655 678 H TYR 12 HN TYR 12 7.091 -21.409 -21.409 679 HA TYR 12 HA TYR 12 6.728 -22.152 -22.152 680 1HB TYR 12 HB2 TYR 12 8.780 -23.511 -23.511 681 2HB TYR 12 HB1 TYR 12 7.920 -24.437 -24.437 682 HD1 TYR 12 HD2 TYR 12 7.649 -22.870 -22.870 683 HD2 TYR 12 HD1 TYR 12 10.877 -22.799 -22.799 684 HE1 TYR 12 HE2 TYR 12 9.158 -21.955 -21.955 685 HE2 TYR 12 HE1 TYR 12 12.385 -21.883 -21.883 686 HH TYR 12 HH TYR 12 12.188 -20.610 -20.610 687 H LYS 13 HN LYS 13 4.617 -21.787 -21.787 688 HA LYS 13 HA LYS 13 3.813 -24.456 -24.456 689 1HB LYS 13 HB2 LYS 13 3.220 -21.669 -21.669 690 2HB LYS 13 HB1 LYS 13 2.082 -22.976 -22.976 691 1HG LYS 13 HG2 LYS 13 4.385 -24.203 -24.203 692 2HG LYS 13 HG1 LYS 13 4.817 -22.533 -22.533 693 1HD LYS 13 HD2 LYS 13 2.376 -22.556 -22.556 694 2HD LYS 13 HD1 LYS 13 2.744 -24.276 -24.276 695 1HE LYS 13 HE2 LYS 13 4.664 -22.117 -22.117 696 2HE LYS 13 HE1 LYS 13 3.458 -22.825 -22.825 697 1HZ LYS 13 HZ2 LYS 13 5.394 -24.464 -24.464 698 2HZ LYS 13 HZ1 LYS 13 5.723 -23.883 -23.883 699 3HZ LYS 13 HZ3 LYS 13 4.423 -24.943 -24.943 700 H ARG 14 HN ARG 14 2.088 -21.464 -21.464 701 HA ARG 14 HA ARG 14 0.481 -23.149 -23.149 702 1HB ARG 14 HB2 ARG 14 -0.432 -21.741 -21.741 703 2HB ARG 14 HB1 ARG 14 -0.939 -20.770 -20.770 704 1HG ARG 14 HG2 ARG 14 -2.708 -22.222 -22.222 705 2HG ARG 14 HG1 ARG 14 -1.578 -23.250 -23.250 706 1HD ARG 14 HD2 ARG 14 -0.830 -24.030 -24.030 707 2HD ARG 14 HD1 ARG 14 -2.397 -23.392 -23.392 708 HE ARG 14 HE ARG 14 -1.987 -25.672 -25.672 709 1HH1 ARG 14 HH21 ARG 14 -4.246 -25.652 -25.652 710 2HH1 ARG 14 HH22 ARG 14 -5.540 -25.741 -25.741 711 1HH2 ARG 14 HH11 ARG 14 -3.550 -24.889 -24.889 712 2HH2 ARG 14 HH12 ARG 14 -5.146 -25.309 -25.309 713 H GLU 15 HN GLU 15 -0.511 -21.820 -21.820 714 HA GLU 15 HA GLU 15 1.053 -19.369 -19.369 715 1HB GLU 15 HB2 GLU 15 0.961 -21.941 -21.941 716 2HB GLU 15 HB1 GLU 15 1.044 -20.424 -20.424 717 1HG GLU 15 HG2 GLU 15 3.290 -20.573 -20.573 718 2HG GLU 15 HG1 GLU 15 2.949 -20.032 -20.032 Start of MODEL 4 1 1H GLY -8 HT1 GLY -8 12.990 -6.616 -6.616 2 2H GLY -8 HT3 GLY -8 12.763 -6.148 -6.148 3 3H GLY -8 HT2 GLY -8 11.827 -7.401 -7.401 4 1HA GLY -8 HA1 GLY -8 10.975 -5.607 -5.607 5 2HA GLY -8 HA2 GLY -8 10.283 -5.564 -5.564 6 H SER -7 HN SER -7 10.030 -3.261 -3.261 7 HA SER -7 HA SER -7 12.254 -1.550 -1.550 8 1HB SER -7 HB2 SER -7 10.614 -2.574 -2.574 9 2HB SER -7 HB1 SER -7 10.321 -0.844 -0.844 10 HG SER -7 HG SER -7 12.525 -2.191 -2.191 11 H ARG -6 HN ARG -6 11.717 -0.382 -0.382 12 HA ARG -6 HA ARG -6 9.003 0.499 0.499 13 1HB ARG -6 HB2 ARG -6 11.701 0.891 0.891 14 2HB ARG -6 HB1 ARG -6 10.495 2.134 2.134 15 1HG ARG -6 HG2 ARG -6 9.690 -0.737 -0.737 16 2HG ARG -6 HG1 ARG -6 10.681 -0.019 -0.019 17 1HD ARG -6 HD2 ARG -6 8.667 0.649 0.649 18 2HD ARG -6 HD1 ARG -6 8.830 1.946 1.946 19 HE ARG -6 HE ARG -6 7.399 0.580 0.580 20 1HH1 ARG -6 HH11 ARG -6 7.735 -1.966 -1.966 21 2HH1 ARG -6 HH12 ARG -6 6.176 -2.068 -2.068 22 1HH2 ARG -6 HH21 ARG -6 5.310 1.207 1.207 23 2HH2 ARG -6 HH22 ARG -6 4.805 -0.270 -0.270 24 H ARG -5 HN ARG -5 8.099 1.881 1.881 25 HA ARG -5 HA ARG -5 9.590 4.402 4.402 26 1HB ARG -5 HB2 ARG -5 8.466 2.422 2.422 27 2HB ARG -5 HB1 ARG -5 8.202 4.124 4.124 28 1HG ARG -5 HG2 ARG -5 10.817 4.216 4.216 29 2HG ARG -5 HG1 ARG -5 10.733 2.572 2.572 30 1HD ARG -5 HD2 ARG -5 9.318 3.916 3.916 31 2HD ARG -5 HD1 ARG -5 10.478 5.153 5.153 32 HE ARG -5 HE ARG -5 12.284 3.532 3.532 33 1HH1 ARG -5 HH21 ARG -5 10.778 1.002 1.002 34 2HH1 ARG -5 HH22 ARG -5 10.488 0.785 0.785 35 1HH2 ARG -5 HH11 ARG -5 11.175 4.086 4.086 36 2HH2 ARG -5 HH12 ARG -5 10.714 2.530 2.530 37 H ALA -4 HN ALA -4 6.398 3.067 3.067 38 HA ALA -4 HA ALA -4 4.973 4.820 4.820 39 1HB ALA -4 HB3 ALA -4 5.007 5.465 5.465 40 2HB ALA -4 HB2 ALA -4 3.827 6.118 6.118 41 3HB ALA -4 HB1 ALA -4 5.537 6.511 6.511 42 H SER -3 HN SER -3 4.235 2.561 2.561 43 HA SER -3 HA SER -3 2.380 1.493 1.493 44 1HB SER -3 HB2 SER -3 2.289 -0.441 -0.441 45 2HB SER -3 HB1 SER -3 3.715 -0.276 -0.276 46 HG SER -3 HG SER -3 4.124 -0.500 -0.500 47 H VAL -2 HN VAL -2 0.402 0.315 0.315 48 HA VAL -2 HA VAL -2 -0.642 1.808 1.808 49 HB VAL -2 HB VAL -2 -1.035 3.447 3.447 50 1HG1 VAL -2 HG13 VAL -2 -1.294 1.380 1.380 51 2HG1 VAL -2 HG12 VAL -2 -3.003 1.628 1.628 52 3HG1 VAL -2 HG11 VAL -2 -2.048 2.940 2.940 53 1HG2 VAL -2 HG23 VAL -2 -3.503 2.027 2.027 54 2HG2 VAL -2 HG22 VAL -2 -2.684 3.411 3.411 55 3HG2 VAL -2 HG21 VAL -2 -3.547 3.596 3.596 56 H GLY -1 HN GLY -1 -1.678 0.229 0.229 57 1HA GLY -1 HA2 GLY -1 -3.914 -1.200 -1.200 58 2HA GLY -1 HA1 GLY -1 -2.632 -2.187 -2.187 59 H SER 0 HN SER 0 -4.199 -1.238 -1.238 60 HA SER 0 HA SER 0 -2.232 -2.844 -2.844 61 1HB SER 0 HB2 SER 0 -4.165 -0.679 -0.679 62 2HB SER 0 HB1 SER 0 -3.221 -1.656 -1.656 63 HG SER 0 HG SER 0 -2.483 0.519 0.519 64 H MET 1 HN MET 1 -3.383 -3.915 -3.915 65 HA MET 1 HA MET 1 -5.955 -5.124 -5.124 66 1HB MET 1 HB2 MET 1 -3.470 -6.353 -6.353 67 2HB MET 1 HB1 MET 1 -5.010 -7.078 -7.078 68 1HG MET 1 HG2 MET 1 -5.510 -7.741 -7.741 69 2HG MET 1 HG1 MET 1 -4.642 -6.399 -6.399 70 1HE MET 1 HE1 MET 1 -2.370 -5.965 -5.965 71 2HE MET 1 HE3 MET 1 -1.076 -7.129 -7.129 72 3HE MET 1 HE2 MET 1 -1.635 -6.861 -6.861 73 H GLU 2 HN GLU 2 -6.691 -6.508 -6.508 74 HA GLU 2 HA GLU 2 -6.863 -4.342 -4.342 75 1HB GLU 2 HB2 GLU 2 -8.915 -5.494 -5.494 76 2HB GLU 2 HB1 GLU 2 -9.056 -6.251 -6.251 77 1HG GLU 2 HG2 GLU 2 -9.417 -4.202 -4.202 78 2HG GLU 2 HG1 GLU 2 -8.709 -3.274 -3.274 79 H ALA 3 HN ALA 3 -7.716 -5.501 -5.501 80 HA ALA 3 HA ALA 3 -6.684 -8.188 -8.188 81 1HB ALA 3 HB3 ALA 3 -5.409 -5.797 -5.797 82 2HB ALA 3 HB2 ALA 3 -5.201 -7.439 -7.439 83 3HB ALA 3 HB1 ALA 3 -4.661 -7.021 -7.021 84 H ILE 4 HN ILE 4 -8.279 -9.057 -9.057 85 HA ILE 4 HA ILE 4 -10.336 -7.776 -7.776 86 HB ILE 4 HB ILE 4 -10.661 -9.931 -9.931 87 1HG1 ILE 4 HG12 ILE 4 -10.701 -10.912 -10.912 88 2HG1 ILE 4 HG11 ILE 4 -11.366 -9.285 -9.285 89 1HG2 ILE 4 HG22 ILE 4 -8.141 -10.506 -10.506 90 2HG2 ILE 4 HG21 ILE 4 -9.339 -11.787 -11.787 91 3HG2 ILE 4 HG23 ILE 4 -8.857 -11.258 -11.258 92 1HD1 ILE 4 HD11 ILE 4 -12.150 -11.595 -11.595 93 2HD1 ILE 4 HD13 ILE 4 -13.044 -11.084 -11.084 94 3HD1 ILE 4 HD12 ILE 4 -12.885 -9.993 -9.993 95 H ALA 5 HN ALA 5 -10.382 -6.848 -6.848 96 HA ALA 5 HA ALA 5 -8.259 -7.203 -7.203 97 1HB ALA 5 HB3 ALA 5 -10.890 -5.686 -5.686 98 2HB ALA 5 HB2 ALA 5 -9.821 -5.758 -5.758 99 3HB ALA 5 HB1 ALA 5 -9.259 -5.013 -5.013 100 H LYS 6 HN LYS 6 -8.315 -9.195 -9.195 101 HA LYS 6 HA LYS 6 -10.633 -10.821 -10.821 102 1HB LYS 6 HB2 LYS 6 -8.027 -10.880 -10.880 103 2HB LYS 6 HB1 LYS 6 -9.206 -12.190 -12.190 104 1HG LYS 6 HG2 LYS 6 -8.760 -12.600 -12.600 105 2HG LYS 6 HG1 LYS 6 -8.037 -11.012 -11.012 106 1HD LYS 6 HD2 LYS 6 -6.258 -12.646 -12.646 107 2HD LYS 6 HD1 LYS 6 -6.163 -11.700 -11.700 108 1HE LYS 6 HE2 LYS 6 -7.606 -13.537 -13.537 109 2HE LYS 6 HE1 LYS 6 -7.265 -14.496 -14.496 110 1HZ LYS 6 HZ2 LYS 6 -4.866 -14.085 -14.085 111 2HZ LYS 6 HZ1 LYS 6 -5.306 -13.400 -13.400 112 3HZ LYS 6 HZ3 LYS 6 -5.643 -15.032 -15.032 113 H TYR 7 HN TYR 7 -9.270 -8.265 -8.265 114 HA TYR 7 HA TYR 7 -11.606 -8.502 -8.502 115 1HB TYR 7 HB2 TYR 7 -8.832 -8.272 -8.272 116 2HB TYR 7 HB1 TYR 7 -10.343 -8.589 -8.589 117 HD1 TYR 7 HD1 TYR 7 -7.897 -10.003 -10.003 118 HD2 TYR 7 HD2 TYR 7 -11.175 -10.817 -10.817 119 HE1 TYR 7 HE1 TYR 7 -7.476 -12.424 -12.424 120 HE2 TYR 7 HE2 TYR 7 -10.770 -13.255 -13.255 121 HH TYR 7 HH TYR 7 -7.991 -14.544 -14.544 122 H ASP 8 HN ASP 8 -11.114 -6.694 -6.694 123 HA ASP 8 HA ASP 8 -10.895 -4.219 -4.219 124 1HB ASP 8 HB2 ASP 8 -12.133 -3.194 -3.194 125 2HB ASP 8 HB1 ASP 8 -12.867 -4.776 -4.776 126 H PHE 9 HN PHE 9 -9.806 -2.352 -2.352 127 HA PHE 9 HA PHE 9 -7.915 -2.500 -2.500 128 1HB PHE 9 HB2 PHE 9 -7.037 -4.046 -4.046 129 2HB PHE 9 HB1 PHE 9 -6.116 -2.548 -2.548 130 HD1 PHE 9 HD1 PHE 9 -7.419 -4.453 -4.453 131 HD2 PHE 9 HD2 PHE 9 -3.980 -2.980 -2.980 132 HE1 PHE 9 HE1 PHE 9 -5.951 -5.232 -5.232 133 HE2 PHE 9 HE2 PHE 9 -2.514 -3.754 -3.754 134 HZ PHE 9 HZ PHE 9 -3.498 -4.879 -4.879 135 H LYS 10 HN LYS 10 -6.234 -0.640 -0.640 136 HA LYS 10 HA LYS 10 -7.310 1.465 1.465 137 1HB LYS 10 HB2 LYS 10 -7.027 3.142 3.142 138 2HB LYS 10 HB1 LYS 10 -8.077 1.857 1.857 139 1HG LYS 10 HG2 LYS 10 -6.114 0.804 0.804 140 2HG LYS 10 HG1 LYS 10 -5.117 2.158 2.158 141 1HD LYS 10 HD2 LYS 10 -6.725 3.700 3.700 142 2HD LYS 10 HD1 LYS 10 -7.487 2.263 2.263 143 1HE LYS 10 HE2 LYS 10 -5.654 1.754 1.754 144 2HE LYS 10 HE1 LYS 10 -4.517 2.551 2.551 145 1HZ LYS 10 HZ2 LYS 10 -6.551 4.024 4.024 146 2HZ LYS 10 HZ1 LYS 10 -4.976 3.735 3.735 147 3HZ LYS 10 HZ3 LYS 10 -5.215 4.663 4.663 148 H ALA 11 HN ALA 11 -5.704 3.404 3.404 149 HA ALA 11 HA ALA 11 -3.286 2.355 2.355 150 1HB ALA 11 HB1 ALA 11 -4.444 5.071 5.071 151 2HB ALA 11 HB3 ALA 11 -2.725 4.924 4.924 152 3HB ALA 11 HB2 ALA 11 -3.936 4.285 4.285 153 H THR 12 HN THR 12 -1.348 2.068 2.068 154 HA THR 12 HA THR 12 -1.177 3.130 3.130 155 HB THR 12 HB THR 12 0.304 1.242 1.242 156 HG1 THR 12 HG1 THR 12 1.014 -0.074 -0.074 157 1HG2 THR 12 HG22 THR 12 -2.217 0.402 0.402 158 2HG2 THR 12 HG21 THR 12 -1.320 -0.605 -0.605 159 3HG2 THR 12 HG23 THR 12 -2.103 0.874 0.874 160 H ALA 13 HN ALA 13 -0.464 4.836 4.836 161 HA ALA 13 HA ALA 13 2.167 5.658 5.658 162 1HB ALA 13 HB2 ALA 13 1.971 3.826 3.826 163 2HB ALA 13 HB1 ALA 13 3.077 5.200 5.200 164 3HB ALA 13 HB3 ALA 13 3.268 3.997 3.997 165 H ASP 14 HN ASP 14 3.036 7.185 7.185 166 HA ASP 14 HA ASP 14 0.885 9.061 9.061 167 1HB ASP 14 HB2 ASP 14 3.311 9.433 9.433 168 2HB ASP 14 HB1 ASP 14 3.712 9.365 9.365 169 H ASP 15 HN ASP 15 1.888 6.404 6.404 170 HA ASP 15 HA ASP 15 0.932 7.488 7.488 171 1HB ASP 15 HB2 ASP 15 3.637 6.403 6.403 172 2HB ASP 15 HB1 ASP 15 2.870 5.949 5.949 173 H GLU 16 HN GLU 16 -0.132 5.685 5.685 174 HA GLU 16 HA GLU 16 -0.202 3.087 3.087 175 1HB GLU 16 HB2 GLU 16 0.243 3.454 3.454 176 2HB GLU 16 HB1 GLU 16 -1.504 3.546 3.546 177 1HG GLU 16 HG2 GLU 16 -1.664 1.323 1.323 178 2HG GLU 16 HG1 GLU 16 -0.818 1.331 1.331 179 H LEU 17 HN LEU 17 -2.548 2.040 2.040 180 HA LEU 17 HA LEU 17 -4.569 4.095 4.095 181 1HB LEU 17 HB2 LEU 17 -3.690 3.063 3.063 182 2HB LEU 17 HB1 LEU 17 -4.098 1.470 1.470 183 HG LEU 17 HG LEU 17 -6.499 2.192 2.192 184 1HD1 LEU 17 HD11 LEU 17 -5.473 4.747 4.747 185 2HD1 LEU 17 HD13 LEU 17 -6.078 4.410 4.410 186 3HD1 LEU 17 HD12 LEU 17 -7.163 4.310 4.310 187 1HD2 LEU 17 HD21 LEU 17 -4.890 1.485 1.485 188 2HD2 LEU 17 HD23 LEU 17 -6.608 1.173 1.173 189 3HD2 LEU 17 HD22 LEU 17 -6.095 2.657 2.657 190 H SER 18 HN SER 18 -6.572 3.817 3.817 191 HA SER 18 HA SER 18 -6.916 1.586 1.586 192 1HB SER 18 HB2 SER 18 -8.782 3.802 3.802 193 2HB SER 18 HB1 SER 18 -8.390 2.929 2.929 194 HG SER 18 HG SER 18 -7.464 5.207 5.207 195 H PHE 19 HN PHE 19 -8.255 -0.111 -0.111 196 HA PHE 19 HA PHE 19 -10.456 0.333 0.333 197 1HB PHE 19 HB2 PHE 19 -9.986 -1.957 -1.957 198 2HB PHE 19 HB1 PHE 19 -8.699 -0.797 -0.797 199 HD1 PHE 19 HD1 PHE 19 -9.683 -3.740 -3.740 200 HD2 PHE 19 HD2 PHE 19 -6.544 -0.932 -0.932 201 HE1 PHE 19 HE1 PHE 19 -8.058 -5.209 -5.209 202 HE2 PHE 19 HE2 PHE 19 -4.920 -2.399 -2.399 203 HZ PHE 19 HZ PHE 19 -5.674 -4.538 -4.538 204 H LYS 20 HN LYS 20 -11.891 -1.769 -1.769 205 HA LYS 20 HA LYS 20 -12.230 -2.619 -2.619 206 1HB LYS 20 HB2 LYS 20 -14.384 -2.124 -2.124 207 2HB LYS 20 HB1 LYS 20 -14.639 -2.594 -2.594 208 1HG LYS 20 HG2 LYS 20 -13.116 -0.118 -0.118 209 2HG LYS 20 HG1 LYS 20 -14.864 -0.109 -0.109 210 1HD LYS 20 HD2 LYS 20 -14.293 -1.302 -1.302 211 2HD LYS 20 HD1 LYS 20 -12.706 -0.571 -0.571 212 1HE LYS 20 HE2 LYS 20 -13.848 1.646 1.646 213 2HE LYS 20 HE1 LYS 20 -15.367 0.872 0.872 214 1HZ LYS 20 HZ1 LYS 20 -12.994 0.664 0.664 215 2HZ LYS 20 HZ3 LYS 20 -14.010 2.019 2.019 216 3HZ LYS 20 HZ2 LYS 20 -14.634 0.472 0.472 217 H ARG 21 HN ARG 21 -13.841 -4.601 -4.601 218 HA ARG 21 HA ARG 21 -12.504 -6.710 -6.710 219 1HB ARG 21 HB2 ARG 21 -13.474 -6.989 -6.989 220 2HB ARG 21 HB1 ARG 21 -15.083 -6.730 -6.730 221 1HG ARG 21 HG2 ARG 21 -14.947 -8.734 -8.734 222 2HG ARG 21 HG1 ARG 21 -13.225 -8.930 -8.930 223 1HD ARG 21 HD2 ARG 21 -13.973 -8.904 -8.904 224 2HD ARG 21 HD1 ARG 21 -15.581 -9.242 -9.242 225 HE ARG 21 HE ARG 21 -13.264 -11.029 -11.029 226 1HH1 ARG 21 HH21 ARG 21 -15.773 -10.785 -10.785 227 2HH1 ARG 21 HH22 ARG 21 -16.525 -12.292 -12.292 228 1HH2 ARG 21 HH11 ARG 21 -14.543 -12.838 -12.838 229 2HH2 ARG 21 HH12 ARG 21 -15.828 -13.454 -13.454 230 H GLY 22 HN GLY 22 -12.850 -6.879 -6.879 231 1HA GLY 22 HA2 GLY 22 -14.348 -7.685 -7.685 232 2HA GLY 22 HA1 GLY 22 -15.668 -6.824 -6.824 233 H ASP 23 HN ASP 23 -12.921 -4.865 -4.865 234 HA ASP 23 HA ASP 23 -13.918 -3.306 -3.306 235 1HB ASP 23 HB2 ASP 23 -12.992 -2.649 -2.649 236 2HB ASP 23 HB1 ASP 23 -11.760 -2.080 -2.080 237 H ILE 24 HN ILE 24 -12.990 -4.303 -4.303 238 HA ILE 24 HA ILE 24 -10.251 -5.215 -5.215 239 HB ILE 24 HB ILE 24 -11.789 -4.521 -4.521 240 1HG1 ILE 24 HG12 ILE 24 -12.225 -6.832 -6.832 241 2HG1 ILE 24 HG11 ILE 24 -13.438 -5.753 -5.753 242 1HG2 ILE 24 HG21 ILE 24 -9.300 -5.449 -5.449 243 2HG2 ILE 24 HG23 ILE 24 -10.148 -6.986 -6.986 244 3HG2 ILE 24 HG22 ILE 24 -10.292 -5.979 -5.979 245 1HD1 ILE 24 HD13 ILE 24 -12.551 -6.785 -6.785 246 2HD1 ILE 24 HD12 ILE 24 -12.101 -8.119 -8.119 247 3HD1 ILE 24 HD11 ILE 24 -13.784 -7.604 -7.604 248 H LEU 25 HN LEU 25 -8.444 -4.199 -4.199 249 HA LEU 25 HA LEU 25 -8.683 -1.246 -1.246 250 1HB LEU 25 HB2 LEU 25 -6.058 -2.671 -2.671 251 2HB LEU 25 HB1 LEU 25 -6.490 -1.023 -1.023 252 HG LEU 25 HG LEU 25 -6.364 -2.164 -2.164 253 1HD1 LEU 25 HD12 LEU 25 -9.176 -1.789 -1.789 254 2HD1 LEU 25 HD11 LEU 25 -8.895 -2.560 -2.560 255 3HD1 LEU 25 HD13 LEU 25 -8.276 -0.947 -0.947 256 1HD2 LEU 25 HD21 LEU 25 -6.747 -4.460 -4.460 257 2HD2 LEU 25 HD23 LEU 25 -6.723 -4.376 -4.376 258 3HD2 LEU 25 HD22 LEU 25 -8.263 -4.355 -4.355 259 H LYS 26 HN LYS 26 -7.058 -0.230 -0.230 260 HA LYS 26 HA LYS 26 -6.843 -1.986 -1.986 261 1HB LYS 26 HB2 LYS 26 -8.023 0.482 0.482 262 2HB LYS 26 HB1 LYS 26 -6.384 0.944 0.944 263 1HG LYS 26 HG2 LYS 26 -7.564 -1.348 -1.348 264 2HG LYS 26 HG1 LYS 26 -8.257 0.240 0.240 265 1HD LYS 26 HD2 LYS 26 -5.299 0.172 0.172 266 2HD LYS 26 HD1 LYS 26 -6.018 -0.732 -0.732 267 1HE LYS 26 HE2 LYS 26 -5.542 1.680 1.680 268 2HE LYS 26 HE1 LYS 26 -7.230 1.218 1.218 269 1HZ LYS 26 HZ3 LYS 26 -6.204 2.434 2.434 270 2HZ LYS 26 HZ2 LYS 26 -6.830 3.358 3.358 271 3HZ LYS 26 HZ1 LYS 26 -7.820 2.236 2.236 272 H VAL 27 HN VAL 27 -4.835 -2.931 -2.931 273 HA VAL 27 HA VAL 27 -2.586 -2.001 -2.001 274 HB VAL 27 HB VAL 27 -2.487 -3.552 -3.552 275 1HG1 VAL 27 HG13 VAL 27 -0.379 -2.514 -2.514 276 2HG1 VAL 27 HG12 VAL 27 -0.612 -3.937 -3.937 277 3HG1 VAL 27 HG11 VAL 27 -0.315 -4.127 -4.127 278 1HG2 VAL 27 HG22 VAL 27 -2.991 -4.390 -4.390 279 2HG2 VAL 27 HG21 VAL 27 -3.990 -4.727 -4.727 280 3HG2 VAL 27 HG23 VAL 27 -2.427 -5.523 -5.523 281 H LEU 28 HN LEU 28 -1.634 -0.129 -0.129 282 HA LEU 28 HA LEU 28 -1.522 1.395 1.395 283 1HB LEU 28 HB2 LEU 28 -1.312 1.934 1.934 284 2HB LEU 28 HB1 LEU 28 -0.104 2.791 2.791 285 HG LEU 28 HG LEU 28 -1.885 3.703 3.703 286 1HD1 LEU 28 HD12 LEU 28 -3.440 1.715 1.715 287 2HD1 LEU 28 HD11 LEU 28 -3.828 2.522 2.522 288 3HD1 LEU 28 HD13 LEU 28 -4.197 3.310 3.310 289 1HD2 LEU 28 HD23 LEU 28 -2.204 4.084 4.084 290 2HD2 LEU 28 HD22 LEU 28 -1.157 5.010 5.010 291 3HD2 LEU 28 HD21 LEU 28 -2.907 5.160 5.160 292 H ASN 29 HN ASN 29 0.598 -0.072 -0.072 293 HA ASN 29 HA ASN 29 2.665 -0.543 -0.543 294 1HB ASN 29 HB2 ASN 29 2.783 1.948 1.948 295 2HB ASN 29 HB1 ASN 29 3.656 1.142 1.142 296 1HD2 ASN 29 HD22 ASN 29 5.327 1.323 1.323 297 2HD2 ASN 29 HD21 ASN 29 3.684 1.697 1.697 298 H GLU 30 HN GLU 30 4.731 -1.412 -1.412 299 HA GLU 30 HA GLU 30 3.891 -2.921 -2.921 300 1HB GLU 30 HB2 GLU 30 5.101 -3.890 -3.890 301 2HB GLU 30 HB1 GLU 30 5.656 -4.643 -4.643 302 1HG GLU 30 HG2 GLU 30 3.419 -5.301 -5.301 303 2HG GLU 30 HG1 GLU 30 2.729 -4.337 -4.337 304 H GLU 31 HN GLU 31 5.052 -0.680 -0.680 305 HA GLU 31 HA GLU 31 8.003 -1.042 -1.042 306 1HB GLU 31 HB2 GLU 31 6.136 1.282 1.282 307 2HB GLU 31 HB1 GLU 31 7.748 1.336 1.336 308 1HG GLU 31 HG2 GLU 31 8.748 0.879 0.879 309 2HG GLU 31 HG1 GLU 31 7.138 0.817 0.817 310 H CYS 32 HN CYS 32 8.818 -0.018 -0.018 311 HA CYS 32 HA CYS 32 9.012 -0.385 -0.385 312 1HB CYS 32 HB2 CYS 32 6.377 0.334 0.334 313 2HB CYS 32 HB1 CYS 32 6.210 -1.246 -1.246 314 HG CYS 32 HG CYS 32 7.167 1.290 1.290 315 H ASP 33 HN ASP 33 7.839 -2.263 -2.263 316 HA ASP 33 HA ASP 33 9.244 -4.571 -4.571 317 1HB ASP 33 HB2 ASP 33 7.521 -3.771 -3.771 318 2HB ASP 33 HB1 ASP 33 6.475 -4.896 -4.896 319 H GLN 34 HN GLN 34 8.549 -6.799 -6.799 320 HA GLN 34 HA GLN 34 7.211 -6.739 -6.739 321 1HB GLN 34 HB2 GLN 34 8.624 -8.989 -8.989 322 2HB GLN 34 HB1 GLN 34 7.984 -9.093 -9.093 323 1HG GLN 34 HG2 GLN 34 10.049 -7.063 -7.063 324 2HG GLN 34 HG1 GLN 34 10.433 -8.569 -8.569 325 1HE2 GLN 34 HE22 GLN 34 9.900 -5.635 -5.635 326 2HE2 GLN 34 HE21 GLN 34 10.761 -5.712 -5.712 327 H ASN 35 HN ASN 35 5.838 -6.593 -6.593 328 HA ASN 35 HA ASN 35 3.916 -8.793 -8.793 329 1HB ASN 35 HB2 ASN 35 4.605 -7.402 -7.402 330 2HB ASN 35 HB1 ASN 35 3.400 -8.683 -8.683 331 1HD2 ASN 35 HD22 ASN 35 5.885 -11.263 -11.263 332 2HD2 ASN 35 HD21 ASN 35 4.308 -10.825 -10.825 333 H TRP 36 HN TRP 36 4.308 -5.436 -5.436 334 HA TRP 36 HA TRP 36 1.366 -5.040 -5.040 335 1HB TRP 36 HB2 TRP 36 3.392 -2.893 -2.893 336 2HB TRP 36 HB1 TRP 36 1.643 -2.819 -2.819 337 HD1 TRP 36 HD1 TRP 36 4.364 -5.361 -5.361 338 HE1 TRP 36 HE1 TRP 36 4.018 -5.710 -5.710 339 HE3 TRP 36 HE3 TRP 36 0.323 -2.258 -2.258 340 HZ2 TRP 36 HZ2 TRP 36 2.349 -4.808 -4.808 341 HZ3 TRP 36 HZ3 TRP 36 -0.555 -2.016 -2.016 342 HH2 TRP 36 HH2 TRP 36 0.436 -3.292 -3.292 343 H TYR 37 HN TYR 37 0.524 -3.769 -3.769 344 HA TYR 37 HA TYR 37 2.517 -2.967 -2.967 345 1HB TYR 37 HB2 TYR 37 -0.324 -3.620 -3.620 346 2HB TYR 37 HB1 TYR 37 1.121 -3.684 -3.684 347 HD1 TYR 37 HD2 TYR 37 2.964 -5.403 -5.403 348 HD2 TYR 37 HD1 TYR 37 -1.314 -5.632 -5.632 349 HE1 TYR 37 HE2 TYR 37 3.072 -7.851 -7.851 350 HE2 TYR 37 HE1 TYR 37 -1.232 -8.068 -8.068 351 HH TYR 37 HH TYR 37 1.460 -9.862 -9.862 352 H LYS 38 HN LYS 38 2.182 -0.980 -0.980 353 HA LYS 38 HA LYS 38 0.522 1.022 1.022 354 1HB LYS 38 HB2 LYS 38 2.490 1.539 1.539 355 2HB LYS 38 HB1 LYS 38 1.571 0.951 0.951 356 1HG LYS 38 HG2 LYS 38 -0.214 2.627 2.627 357 2HG LYS 38 HG1 LYS 38 0.871 3.288 3.288 358 1HD LYS 38 HD2 LYS 38 2.053 2.910 2.910 359 2HD LYS 38 HD1 LYS 38 0.804 4.154 4.154 360 1HE LYS 38 HE2 LYS 38 2.133 4.873 4.873 361 2HE LYS 38 HE1 LYS 38 3.466 4.014 4.014 362 1HZ LYS 38 HZ1 LYS 38 1.865 6.040 6.040 363 2HZ LYS 38 HZ3 LYS 38 3.213 6.473 6.473 364 3HZ LYS 38 HZ2 LYS 38 3.401 5.430 5.430 365 H ALA 39 HN ALA 39 -1.617 1.762 1.762 366 HA ALA 39 HA ALA 39 -2.910 0.454 0.454 367 1HB ALA 39 HB2 ALA 39 -2.823 -1.459 -1.459 368 2HB ALA 39 HB1 ALA 39 -3.700 -0.517 -0.517 369 3HB ALA 39 HB3 ALA 39 -4.502 -0.950 -0.950 370 H GLU 40 HN GLU 40 -5.377 0.499 0.499 371 HA GLU 40 HA GLU 40 -5.952 3.308 3.308 372 1HB GLU 40 HB2 GLU 40 -5.766 2.104 2.104 373 2HB GLU 40 HB1 GLU 40 -7.468 1.792 1.792 374 1HG GLU 40 HG2 GLU 40 -7.446 3.818 3.818 375 2HG GLU 40 HG1 GLU 40 -7.689 4.260 4.260 376 H LEU 41 HN LEU 41 -8.153 3.734 3.734 377 HA LEU 41 HA LEU 41 -10.001 1.600 1.600 378 1HB LEU 41 HB2 LEU 41 -8.784 3.358 3.358 379 2HB LEU 41 HB1 LEU 41 -10.517 3.011 3.011 380 HG LEU 41 HG LEU 41 -8.551 0.838 0.838 381 1HD1 LEU 41 HD13 LEU 41 -8.405 2.387 2.387 382 2HD1 LEU 41 HD12 LEU 41 -9.511 1.101 1.101 383 3HD1 LEU 41 HD11 LEU 41 -7.898 0.703 0.703 384 1HD2 LEU 41 HD22 LEU 41 -11.336 1.032 1.032 385 2HD2 LEU 41 HD21 LEU 41 -10.880 0.350 0.350 386 3HD2 LEU 41 HD23 LEU 41 -10.414 -0.466 -0.466 387 H ASN 42 HN ASN 42 -11.204 2.158 2.158 388 HA ASN 42 HA ASN 42 -12.768 3.379 3.379 389 1HB ASN 42 HB2 ASN 42 -13.301 3.748 3.748 390 2HB ASN 42 HB1 ASN 42 -14.221 4.748 4.748 391 1HD2 ASN 42 HD22 ASN 42 -15.603 1.710 1.710 392 2HD2 ASN 42 HD21 ASN 42 -14.782 3.111 3.111 393 H GLY 43 HN GLY 43 -10.157 4.897 4.897 394 1HA GLY 43 HA2 GLY 43 -10.170 7.135 7.135 395 2HA GLY 43 HA1 GLY 43 -11.172 7.693 7.693 396 H LYS 44 HN LYS 44 -9.714 6.394 6.394 397 HA LYS 44 HA LYS 44 -7.498 8.203 8.203 398 1HB LYS 44 HB2 LYS 44 -8.966 6.310 6.310 399 2HB LYS 44 HB1 LYS 44 -7.315 6.751 6.751 400 1HG LYS 44 HG2 LYS 44 -7.814 9.030 9.030 401 2HG LYS 44 HG1 LYS 44 -9.327 8.857 8.857 402 1HD LYS 44 HD2 LYS 44 -9.801 9.134 9.134 403 2HD LYS 44 HD1 LYS 44 -10.254 7.509 7.509 404 1HE LYS 44 HE2 LYS 44 -7.939 6.763 6.763 405 2HE LYS 44 HE1 LYS 44 -7.785 8.342 8.342 406 1HZ LYS 44 HZ2 LYS 44 -10.163 6.679 6.679 407 2HZ LYS 44 HZ1 LYS 44 -8.725 6.373 6.373 408 3HZ LYS 44 HZ3 LYS 44 -9.477 7.887 7.887 409 H ASP 45 HN ASP 45 -5.651 6.851 6.851 410 HA ASP 45 HA ASP 45 -5.030 4.445 4.445 411 1HB ASP 45 HB2 ASP 45 -3.298 5.256 5.256 412 2HB ASP 45 HB1 ASP 45 -4.539 6.489 6.489 413 H GLY 46 HN GLY 46 -2.478 4.007 4.007 414 1HA GLY 46 HA2 GLY 46 -0.794 4.616 4.616 415 2HA GLY 46 HA1 GLY 46 -2.146 4.402 4.402 416 H PHE 47 HN PHE 47 0.250 2.909 2.909 417 HA PHE 47 HA PHE 47 0.120 0.323 0.323 418 1HB PHE 47 HB2 PHE 47 1.524 1.315 1.315 419 2HB PHE 47 HB1 PHE 47 1.703 -0.331 -0.331 420 HD1 PHE 47 HD1 PHE 47 2.332 3.238 3.238 421 HD2 PHE 47 HD2 PHE 47 2.904 -0.799 -0.799 422 HE1 PHE 47 HE1 PHE 47 4.014 4.025 4.025 423 HE2 PHE 47 HE2 PHE 47 4.587 -0.012 -0.012 424 HZ PHE 47 HZ PHE 47 5.142 2.402 2.402 425 H ILE 48 HN ILE 48 -0.370 -1.771 -1.771 426 HA ILE 48 HA ILE 48 -2.073 -1.590 -1.590 427 HB ILE 48 HB ILE 48 -3.795 -3.047 -3.047 428 1HG1 ILE 48 HG12 ILE 48 -2.348 -2.172 -2.172 429 2HG1 ILE 48 HG11 ILE 48 -2.243 -3.792 -3.792 430 1HG2 ILE 48 HG22 ILE 48 -4.016 -0.554 -0.554 431 2HG2 ILE 48 HG21 ILE 48 -3.365 -0.369 -0.369 432 3HG2 ILE 48 HG23 ILE 48 -4.902 -1.199 -1.199 433 1HD1 ILE 48 HD13 ILE 48 -4.944 -3.455 -3.455 434 2HD1 ILE 48 HD12 ILE 48 -4.458 -2.510 -2.510 435 3HD1 ILE 48 HD11 ILE 48 -4.016 -4.213 -4.213 436 HA PRO 49 HA PRO 49 0.305 -5.278 -5.278 437 1HB PRO 49 HB2 PRO 49 -1.202 -6.348 -6.348 438 2HB PRO 49 HB1 PRO 49 -0.020 -5.047 -5.047 439 1HG PRO 49 HG2 PRO 49 -3.022 -4.875 -4.875 440 2HG PRO 49 HG1 PRO 49 -1.888 -3.864 -3.864 441 1HD PRO 49 HD2 PRO 49 -3.055 -3.080 -3.080 442 2HD PRO 49 HD1 PRO 49 -1.574 -2.410 -2.410 443 H LYS 50 HN LYS 50 0.099 -6.704 -6.704 444 HA LYS 50 HA LYS 50 -2.167 -7.766 -7.766 445 1HB LYS 50 HB2 LYS 50 0.085 -7.935 -7.935 446 2HB LYS 50 HB1 LYS 50 0.554 -8.987 -8.987 447 1HG LYS 50 HG2 LYS 50 -1.608 -10.330 -10.330 448 2HG LYS 50 HG1 LYS 50 -0.854 -9.633 -9.633 449 1HD LYS 50 HD2 LYS 50 1.377 -10.464 -10.464 450 2HD LYS 50 HD1 LYS 50 0.399 -11.430 -11.430 451 1HE LYS 50 HE2 LYS 50 -0.765 -12.470 -12.470 452 2HE LYS 50 HE1 LYS 50 0.293 -11.570 -11.570 453 1HZ LYS 50 HZ1 LYS 50 2.179 -12.635 -12.635 454 2HZ LYS 50 HZ3 LYS 50 1.017 -13.702 -13.702 455 3HZ LYS 50 HZ2 LYS 50 1.302 -13.641 -13.641 456 H ASN 51 HN ASN 51 -0.967 -8.712 -8.712 457 HA ASN 51 HA ASN 51 -1.897 -11.304 -11.304 458 1HB ASN 51 HB2 ASN 51 -1.280 -9.199 -9.199 459 2HB ASN 51 HB1 ASN 51 -2.193 -10.538 -10.538 460 1HD2 ASN 51 HD22 ASN 51 1.574 -11.167 -11.167 461 2HD2 ASN 51 HD21 ASN 51 0.661 -9.808 -9.808 462 H TYR 52 HN TYR 52 -3.586 -8.313 -8.313 463 HA TYR 52 HA TYR 52 -6.146 -9.709 -9.709 464 1HB TYR 52 HB2 TYR 52 -5.294 -6.812 -6.812 465 2HB TYR 52 HB1 TYR 52 -6.974 -7.273 -7.273 466 HD1 TYR 52 HD1 TYR 52 -4.227 -9.179 -9.179 467 HD2 TYR 52 HD2 TYR 52 -7.437 -6.389 -6.389 468 HE1 TYR 52 HE1 TYR 52 -4.065 -9.324 -9.324 469 HE2 TYR 52 HE2 TYR 52 -7.281 -6.541 -6.541 470 HH TYR 52 HH TYR 52 -5.378 -8.935 -8.935 471 H ILE 53 HN ILE 53 -4.779 -9.948 -9.948 472 HA ILE 53 HA ILE 53 -6.813 -8.927 -8.927 473 HB ILE 53 HB ILE 53 -4.158 -8.244 -8.244 474 1HG1 ILE 53 HG12 ILE 53 -5.537 -6.441 -6.441 475 2HG1 ILE 53 HG11 ILE 53 -4.117 -7.410 -7.410 476 1HG2 ILE 53 HG23 ILE 53 -6.933 -7.306 -7.306 477 2HG2 ILE 53 HG22 ILE 53 -5.665 -6.121 -6.121 478 3HG2 ILE 53 HG21 ILE 53 -5.710 -7.579 -7.579 479 1HD1 ILE 53 HD12 ILE 53 -3.755 -5.904 -5.904 480 2HD1 ILE 53 HD11 ILE 53 -4.149 -4.852 -4.852 481 3HD1 ILE 53 HD13 ILE 53 -2.762 -5.922 -5.922 482 H GLU 54 HN GLU 54 -6.224 -9.464 -9.464 483 HA GLU 54 HA GLU 54 -4.491 -11.668 -11.668 484 1HB GLU 54 HB2 GLU 54 -7.311 -12.057 -12.057 485 2HB GLU 54 HB1 GLU 54 -6.832 -12.532 -12.532 486 1HG GLU 54 HG2 GLU 54 -4.902 -13.807 -13.807 487 2HG GLU 54 HG1 GLU 54 -5.830 -13.602 -13.602 488 H MET 55 HN MET 55 -4.256 -12.016 -12.016 489 HA MET 55 HA MET 55 -4.686 -9.442 -9.442 490 1HB MET 55 HB2 MET 55 -2.443 -10.786 -10.786 491 2HB MET 55 HB1 MET 55 -3.089 -11.684 -11.684 492 1HG MET 55 HG2 MET 55 -3.387 -9.586 -9.586 493 2HG MET 55 HG1 MET 55 -2.771 -8.671 -8.671 494 1HE MET 55 HE3 MET 55 -1.480 -7.531 -7.531 495 2HE MET 55 HE2 MET 55 0.221 -7.847 -7.847 496 3HE MET 55 HE1 MET 55 -0.402 -8.051 -8.051 497 H LYS 56 HN LYS 56 -6.534 -9.299 -9.299 498 HA LYS 56 HA LYS 56 -7.399 -11.620 -11.620 499 1HB LYS 56 HB2 LYS 56 -8.754 -9.301 -9.301 500 2HB LYS 56 HB1 LYS 56 -9.392 -9.941 -9.941 501 1HG LYS 56 HG2 LYS 56 -9.073 -12.258 -12.258 502 2HG LYS 56 HG1 LYS 56 -9.150 -11.259 -11.259 503 1HD LYS 56 HD2 LYS 56 -11.223 -10.795 -10.795 504 2HD LYS 56 HD1 LYS 56 -11.357 -12.272 -12.272 505 1HE LYS 56 HE2 LYS 56 -11.507 -11.066 -11.066 506 2HE LYS 56 HE1 LYS 56 -10.970 -9.565 -9.565 507 1HZ LYS 56 HZ1 LYS 56 -13.494 -10.989 -10.989 508 2HZ LYS 56 HZ3 LYS 56 -13.387 -9.650 -9.650 509 3HZ LYS 56 HZ2 LYS 56 -12.993 -9.485 -9.485 510 HA PRO 57 HA PRO 57 -6.291 -9.893 -9.893 511 1HB PRO 57 HB2 PRO 57 -8.232 -10.816 -10.816 512 2HB PRO 57 HB1 PRO 57 -6.879 -11.789 -11.789 513 1HG PRO 57 HG2 PRO 57 -9.713 -11.774 -11.774 514 2HG PRO 57 HG1 PRO 57 -8.540 -13.079 -13.079 515 1HD PRO 57 HD2 PRO 57 -9.323 -11.557 -11.557 516 2HD PRO 57 HD1 PRO 57 -7.854 -12.553 -12.553 517 H HIS 58 HN HIS 58 -7.722 -8.955 -8.955 518 HA HIS 58 HA HIS 58 -9.777 -7.062 -7.062 519 1HB HIS 58 HB2 HIS 58 -7.666 -5.926 -5.926 520 2HB HIS 58 HB1 HIS 58 -7.086 -6.087 -6.087 521 HD1 HIS 58 HD1 HIS 58 -10.692 -5.284 -5.284 522 HD2 HIS 58 HD2 HIS 58 -7.153 -3.233 -3.233 523 HE1 HIS 58 HE1 HIS 58 -11.365 -2.947 -2.947 524 HA PRO 59 HA PRO 59 -10.178 -8.378 -8.378 525 1HB PRO 59 HB2 PRO 59 -12.902 -8.726 -8.726 526 2HB PRO 59 HB1 PRO 59 -11.741 -9.987 -9.987 527 1HG PRO 59 HG2 PRO 59 -13.471 -8.307 -8.307 528 2HG PRO 59 HG1 PRO 59 -12.806 -9.924 -9.924 529 1HD PRO 59 HD2 PRO 59 -11.797 -7.498 -7.498 530 2HD PRO 59 HD1 PRO 59 -10.965 -9.068 -9.068 531 H GLU 60 HN GLU 60 -11.375 -7.312 -7.312 532 HA GLU 60 HA GLU 60 -13.077 -5.049 -5.049 533 1HB GLU 60 HB2 GLU 60 -10.657 -4.322 -4.322 534 2HB GLU 60 HB1 GLU 60 -10.381 -4.080 -4.080 535 1HG GLU 60 HG2 GLU 60 -12.697 -2.834 -2.834 536 2HG GLU 60 HG1 GLU 60 -12.330 -2.694 -2.694 537 H PHE 61 HN PHE 61 -13.948 -6.393 -6.393 538 HA PHE 61 HA PHE 61 -12.439 -6.294 -6.294 539 1HB PHE 61 HB2 PHE 61 -13.971 -8.277 -8.277 540 2HB PHE 61 HB1 PHE 61 -15.140 -7.511 -7.511 541 HD1 PHE 61 HD1 PHE 61 -11.637 -8.829 -8.829 542 HD2 PHE 61 HD2 PHE 61 -15.125 -8.006 -8.006 543 HE1 PHE 61 HE1 PHE 61 -10.585 -9.957 -9.957 544 HE2 PHE 61 HE2 PHE 61 -14.073 -9.135 -9.135 545 HZ PHE 61 HZ PHE 61 -11.802 -10.110 -10.110 546 H ILE 62 HN ILE 62 -15.761 -5.573 -5.573 547 HA ILE 62 HA ILE 62 -17.248 -3.892 -3.892 548 HB ILE 62 HB ILE 62 -14.836 -2.601 -2.601 549 1HG1 ILE 62 HG12 ILE 62 -17.345 -1.252 -1.252 550 2HG1 ILE 62 HG11 ILE 62 -17.175 -1.856 -1.856 551 1HG2 ILE 62 HG22 ILE 62 -14.933 -2.926 -2.926 552 2HG2 ILE 62 HG21 ILE 62 -15.756 -1.384 -1.384 553 3HG2 ILE 62 HG23 ILE 62 -14.121 -1.591 -1.591 554 1HD1 ILE 62 HD12 ILE 62 -14.972 -0.143 -0.143 555 2HD1 ILE 62 HD11 ILE 62 -16.501 0.655 0.655 556 3HD1 ILE 62 HD13 ILE 62 -15.648 -0.239 -0.239 557 H VAL 63 HN VAL 63 -16.510 -6.245 -6.245 558 HA VAL 63 HA VAL 63 -18.036 -5.304 -5.304 559 HB VAL 63 HB VAL 63 -15.383 -6.750 -6.750 560 1HG1 VAL 63 HG11 VAL 63 -17.402 -5.675 -5.675 561 2HG1 VAL 63 HG13 VAL 63 -15.767 -6.165 -6.165 562 3HG1 VAL 63 HG12 VAL 63 -16.897 -7.352 -7.352 563 1HG2 VAL 63 HG21 VAL 63 -16.186 -3.856 -3.856 564 2HG2 VAL 63 HG23 VAL 63 -14.846 -4.510 -4.510 565 3HG2 VAL 63 HG22 VAL 63 -14.778 -4.531 -4.531 566 H THR 64 HN THR 64 -19.740 -6.682 -6.682 567 HA THR 64 HA THR 64 -20.927 -8.702 -8.702 568 HB THR 64 HB THR 64 -18.607 -10.154 -10.154 569 HG1 THR 64 HG1 THR 64 -20.314 -8.318 -8.318 570 1HG2 THR 64 HG23 THR 64 -21.608 -10.237 -10.237 571 2HG2 THR 64 HG22 THR 64 -20.672 -10.933 -10.933 572 3HG2 THR 64 HG21 THR 64 -20.470 -11.545 -11.545 573 H ASP 65 HN ASP 65 -19.527 -7.987 -7.987 574 HA ASP 65 HA ASP 65 -18.753 -8.884 -8.884 575 1HB ASP 65 HB2 ASP 65 -20.096 -11.204 -11.204 576 2HB ASP 65 HB1 ASP 65 -19.165 -11.495 -11.495 577 1H SER 1 HT2 SER 1 -16.092 -9.105 -9.105 578 2H SER 1 HT1 SER 1 -17.338 -10.230 -10.230 579 3H SER 1 HT3 SER 1 -17.246 -8.844 -8.844 580 HA SER 1 HA SER 1 -15.675 -9.667 -9.667 581 1HB SER 1 HB2 SER 1 -16.118 -12.425 -12.425 582 2HB SER 1 HB1 SER 1 -16.290 -11.769 -11.769 583 HG SER 1 HG SER 1 -18.340 -12.014 -12.014 584 HA PRO 2 HA PRO 2 -12.469 -12.006 -12.006 585 1HB PRO 2 HB2 PRO 2 -12.960 -12.417 -12.417 586 2HB PRO 2 HB1 PRO 2 -13.397 -13.577 -13.577 587 1HG PRO 2 HG2 PRO 2 -15.169 -11.754 -11.754 588 2HG PRO 2 HG1 PRO 2 -15.562 -13.285 -13.285 589 1HD PRO 2 HD2 PRO 2 -16.134 -10.683 -10.683 590 2HD PRO 2 HD1 PRO 2 -16.270 -12.202 -12.202 591 H LEU 3 HN LEU 3 -10.745 -11.212 -11.212 592 HA LEU 3 HA LEU 3 -11.243 -8.691 -8.691 593 1HB LEU 3 HB2 LEU 3 -10.555 -8.472 -8.472 594 2HB LEU 3 HB1 LEU 3 -8.965 -8.475 -8.475 595 HG LEU 3 HG LEU 3 -11.079 -6.765 -6.765 596 1HD1 LEU 3 HD13 LEU 3 -9.750 -6.254 -6.254 597 2HD1 LEU 3 HD12 LEU 3 -10.283 -4.927 -4.927 598 3HD1 LEU 3 HD11 LEU 3 -11.455 -6.095 -6.095 599 1HD2 LEU 3 HD22 LEU 3 -8.600 -7.135 -7.135 600 2HD2 LEU 3 HD21 LEU 3 -9.231 -5.489 -5.489 601 3HD2 LEU 3 HD23 LEU 3 -8.214 -6.065 -6.065 602 H LEU 4 HN LEU 4 -9.630 -8.308 -8.308 603 HA LEU 4 HA LEU 4 -8.104 -10.596 -10.596 604 1HB LEU 4 HB2 LEU 4 -8.144 -7.696 -7.696 605 2HB LEU 4 HB1 LEU 4 -7.032 -8.856 -8.856 606 HG LEU 4 HG LEU 4 -9.308 -10.283 -10.283 607 1HD1 LEU 4 HD13 LEU 4 -10.090 -7.367 -7.367 608 2HD1 LEU 4 HD12 LEU 4 -11.036 -8.558 -8.558 609 3HD1 LEU 4 HD11 LEU 4 -10.839 -8.717 -8.717 610 1HD2 LEU 4 HD23 LEU 4 -7.645 -9.500 -9.500 611 2HD2 LEU 4 HD22 LEU 4 -9.317 -9.709 -9.709 612 3HD2 LEU 4 HD21 LEU 4 -8.689 -8.093 -8.093 613 HA PRO 5 HA PRO 5 -4.423 -9.954 -9.954 614 1HB PRO 5 HB2 PRO 5 -2.598 -11.271 -11.271 615 2HB PRO 5 HB1 PRO 5 -3.789 -12.097 -12.097 616 1HG PRO 5 HG2 PRO 5 -3.776 -11.762 -11.762 617 2HG PRO 5 HG1 PRO 5 -4.527 -13.032 -13.032 618 1HD PRO 5 HD2 PRO 5 -5.870 -10.824 -10.824 619 2HD PRO 5 HD1 PRO 5 -6.533 -11.917 -11.917 620 H LYS 6 HN LYS 6 -1.821 -9.591 -9.591 621 HA LYS 6 HA LYS 6 -1.887 -6.852 -6.852 622 1HB LYS 6 HB2 LYS 6 0.504 -8.597 -8.597 623 2HB LYS 6 HB1 LYS 6 0.511 -6.846 -6.846 624 1HG LYS 6 HG2 LYS 6 -0.591 -6.462 -6.462 625 2HG LYS 6 HG1 LYS 6 -1.376 -8.040 -8.040 626 1HD LYS 6 HD2 LYS 6 0.420 -9.095 -9.095 627 2HD LYS 6 HD1 LYS 6 1.591 -8.050 -8.050 628 1HE LYS 6 HE2 LYS 6 1.694 -7.468 -7.468 629 2HE LYS 6 HE1 LYS 6 0.776 -6.179 -6.179 630 1HZ LYS 6 HZ2 LYS 6 -0.483 -8.536 -8.536 631 2HZ LYS 6 HZ1 LYS 6 -0.221 -7.061 -7.061 632 3HZ LYS 6 HZ3 LYS 6 -1.250 -7.121 -7.121 633 H LEU 7 HN LEU 7 0.604 -6.887 -6.887 634 HA LEU 7 HA LEU 7 -0.209 -8.432 -8.432 635 1HB LEU 7 HB2 LEU 7 0.227 -5.601 -5.601 636 2HB LEU 7 HB1 LEU 7 1.423 -6.220 -6.220 637 HG LEU 7 HG LEU 7 -0.622 -5.480 -5.480 638 1HD1 LEU 7 HD12 LEU 7 0.250 -8.335 -8.335 639 2HD1 LEU 7 HD11 LEU 7 -1.196 -7.922 -7.922 640 3HD1 LEU 7 HD13 LEU 7 0.334 -7.128 -7.128 641 1HD2 LEU 7 HD23 LEU 7 -2.086 -6.149 -6.149 642 2HD2 LEU 7 HD22 LEU 7 -2.760 -6.373 -6.373 643 3HD2 LEU 7 HD21 LEU 7 -2.107 -7.754 -7.754 644 HA PRO 8 HA PRO 8 4.133 -9.721 -9.721 645 1HB PRO 8 HB2 PRO 8 3.640 -12.387 -12.387 646 2HB PRO 8 HB1 PRO 8 3.466 -11.199 -11.199 647 1HG PRO 8 HG2 PRO 8 1.338 -12.681 -12.681 648 2HG PRO 8 HG1 PRO 8 1.232 -11.788 -11.788 649 1HD PRO 8 HD2 PRO 8 0.432 -10.900 -10.900 650 2HD PRO 8 HD1 PRO 8 0.193 -10.078 -10.078 651 HA PRO 9 HA PRO 9 3.685 -11.353 -11.353 652 1HB PRO 9 HB2 PRO 9 5.646 -9.803 -9.803 653 2HB PRO 9 HB1 PRO 9 3.957 -9.279 -9.279 654 1HG PRO 9 HG2 PRO 9 6.328 -8.441 -8.441 655 2HG PRO 9 HG1 PRO 9 4.870 -7.522 -7.522 656 1HD PRO 9 HD2 PRO 9 5.332 -8.752 -8.752 657 2HD PRO 9 HD1 PRO 9 3.760 -8.252 -8.252 658 H LYS 10 HN LYS 10 5.034 -13.007 -13.007 659 HA LYS 10 HA LYS 10 7.859 -13.137 -13.137 660 1HB LYS 10 HB2 LYS 10 6.282 -14.106 -14.106 661 2HB LYS 10 HB1 LYS 10 7.407 -15.311 -15.311 662 1HG LYS 10 HG2 LYS 10 8.571 -12.612 -12.612 663 2HG LYS 10 HG1 LYS 10 8.080 -13.289 -13.289 664 1HD LYS 10 HD2 LYS 10 10.129 -14.296 -14.296 665 2HD LYS 10 HD1 LYS 10 9.294 -15.456 -15.456 666 1HE LYS 10 HE2 LYS 10 10.930 -14.942 -14.942 667 2HE LYS 10 HE1 LYS 10 9.940 -13.516 -13.516 668 1HZ LYS 10 HZ1 LYS 10 11.207 -12.350 -12.350 669 2HZ LYS 10 HZ3 LYS 10 12.208 -13.708 -13.708 670 3HZ LYS 10 HZ2 LYS 10 12.185 -12.848 -12.848 671 H THR 11 HN THR 11 5.980 -16.089 -16.089 672 HA THR 11 HA THR 11 5.600 -16.774 -16.774 673 HB THR 11 HB THR 11 7.733 -18.349 -18.349 674 HG1 THR 11 HG1 THR 11 9.172 -17.292 -17.292 675 1HG2 THR 11 HG23 THR 11 6.407 -18.461 -18.461 676 2HG2 THR 11 HG22 THR 11 8.121 -18.870 -18.870 677 3HG2 THR 11 HG21 THR 11 6.956 -19.777 -19.777 678 H TYR 12 HN TYR 12 3.508 -17.387 -17.387 679 HA TYR 12 HA TYR 12 3.357 -20.030 -20.030 680 1HB TYR 12 HB2 TYR 12 2.295 -17.524 -17.524 681 2HB TYR 12 HB1 TYR 12 1.624 -19.115 -19.115 682 HD1 TYR 12 HD1 TYR 12 3.635 -20.980 -20.980 683 HD2 TYR 12 HD2 TYR 12 3.897 -16.781 -16.781 684 HE1 TYR 12 HE1 TYR 12 5.513 -21.419 -21.419 685 HE2 TYR 12 HE2 TYR 12 5.775 -17.218 -17.218 686 HH TYR 12 HH TYR 12 6.457 -20.033 -20.033 687 H LYS 13 HN LYS 13 1.469 -21.116 -21.116 688 HA LYS 13 HA LYS 13 -0.349 -19.619 -19.619 689 1HB LYS 13 HB2 LYS 13 0.430 -22.545 -22.545 690 2HB LYS 13 HB1 LYS 13 -0.903 -21.950 -21.950 691 1HG LYS 13 HG2 LYS 13 1.600 -20.422 -20.422 692 2HG LYS 13 HG1 LYS 13 1.721 -22.108 -22.108 693 1HD LYS 13 HD2 LYS 13 0.860 -21.300 -21.300 694 2HD LYS 13 HD1 LYS 13 -0.674 -21.463 -21.463 695 1HE LYS 13 HE2 LYS 13 -0.350 -19.086 -19.086 696 2HE LYS 13 HE1 LYS 13 1.007 -18.963 -18.963 697 1HZ LYS 13 HZ2 LYS 13 -1.760 -19.702 -19.702 698 2HZ LYS 13 HZ1 LYS 13 -1.100 -18.144 -18.144 699 3HZ LYS 13 HZ3 LYS 13 -0.448 -19.431 -19.431 700 H ARG 14 HN ARG 14 -2.447 -19.397 -19.397 701 HA ARG 14 HA ARG 14 -3.670 -21.381 -21.381 702 1HB ARG 14 HB2 ARG 14 -2.451 -19.267 -19.267 703 2HB ARG 14 HB1 ARG 14 -4.049 -18.579 -18.579 704 1HG ARG 14 HG2 ARG 14 -4.982 -20.756 -20.756 705 2HG ARG 14 HG1 ARG 14 -3.343 -21.041 -21.041 706 1HD ARG 14 HD2 ARG 14 -3.671 -18.466 -18.466 707 2HD ARG 14 HD1 ARG 14 -5.341 -19.028 -19.028 708 HE ARG 14 HE ARG 14 -3.090 -20.365 -20.365 709 1HH1 ARG 14 HH11 ARG 14 -4.714 -22.195 -22.195 710 2HH1 ARG 14 HH12 ARG 14 -5.933 -21.538 -21.538 711 1HH2 ARG 14 HH21 ARG 14 -5.371 -18.258 -18.258 712 2HH2 ARG 14 HH22 ARG 14 -6.304 -19.310 -19.310 713 H GLU 15 HN GLU 15 -5.942 -21.382 -21.382 714 HA GLU 15 HA GLU 15 -7.038 -19.651 -19.651 715 1HB GLU 15 HB2 GLU 15 -7.477 -22.439 -22.439 716 2HB GLU 15 HB1 GLU 15 -8.971 -21.557 -21.557 717 1HG GLU 15 HG2 GLU 15 -6.673 -21.443 -21.443 718 2HG GLU 15 HG1 GLU 15 -7.834 -22.770 -22.770 Start of MODEL 5 1 1H GLY -8 HT3 GLY -8 10.953 5.109 5.109 2 2H GLY -8 HT2 GLY -8 11.512 3.506 3.506 3 3H GLY -8 HT1 GLY -8 10.270 4.001 4.001 4 1HA GLY -8 HA1 GLY -8 9.124 3.053 3.053 5 2HA GLY -8 HA2 GLY -8 10.239 3.411 3.411 6 H SER -7 HN SER -7 8.204 4.612 4.612 7 HA SER -7 HA SER -7 6.513 6.285 6.285 8 1HB SER -7 HB2 SER -7 5.299 6.552 6.552 9 2HB SER -7 HB1 SER -7 6.843 7.344 7.344 10 HG SER -7 HG SER -7 7.673 6.130 6.130 11 H ARG -6 HN ARG -6 5.384 4.116 4.116 12 HA ARG -6 HA ARG -6 3.604 2.588 2.588 13 1HB ARG -6 HB2 ARG -6 4.540 2.252 2.252 14 2HB ARG -6 HB1 ARG -6 3.299 1.241 1.241 15 1HG ARG -6 HG2 ARG -6 5.225 1.097 1.097 16 2HG ARG -6 HG1 ARG -6 6.228 1.287 1.287 17 1HD ARG -6 HD2 ARG -6 5.721 -0.787 -0.787 18 2HD ARG -6 HD1 ARG -6 4.017 -0.630 -0.630 19 HE ARG -6 HE ARG -6 6.011 -1.960 -1.960 20 1HH1 ARG -6 HH21 ARG -6 5.725 -0.206 -0.206 21 2HH1 ARG -6 HH22 ARG -6 4.194 -0.553 -0.553 22 1HH2 ARG -6 HH11 ARG -6 2.969 -2.276 -2.276 23 2HH2 ARG -6 HH12 ARG -6 2.635 -1.723 -1.723 24 H ARG -5 HN ARG -5 1.758 3.785 3.785 25 HA ARG -5 HA ARG -5 0.334 4.751 4.751 26 1HB ARG -5 HB2 ARG -5 -0.654 6.538 6.538 27 2HB ARG -5 HB1 ARG -5 1.078 6.711 6.711 28 1HG ARG -5 HG2 ARG -5 1.551 6.455 6.455 29 2HG ARG -5 HG1 ARG -5 0.544 5.014 5.014 30 1HD ARG -5 HD2 ARG -5 -0.783 6.320 6.320 31 2HD ARG -5 HD1 ARG -5 -1.357 6.979 6.979 32 HE ARG -5 HE ARG -5 0.703 8.625 8.625 33 1HH1 ARG -5 HH11 ARG -5 -2.267 8.612 8.612 34 2HH1 ARG -5 HH12 ARG -5 -1.861 9.369 9.369 35 1HH2 ARG -5 HH21 ARG -5 1.561 9.042 9.042 36 2HH2 ARG -5 HH22 ARG -5 0.306 9.612 9.612 37 H ALA -4 HN ALA -4 -0.979 2.880 2.880 38 HA ALA -4 HA ALA -4 -2.717 2.333 2.333 39 1HB ALA -4 HB3 ALA -4 -1.853 0.605 0.605 40 2HB ALA -4 HB2 ALA -4 -3.205 0.160 0.160 41 3HB ALA -4 HB1 ALA -4 -1.586 0.327 0.327 42 H SER -3 HN SER -3 -3.301 1.583 1.583 43 HA SER -3 HA SER -3 -5.143 3.684 3.684 44 1HB SER -3 HB2 SER -3 -6.568 2.808 2.808 45 2HB SER -3 HB1 SER -3 -6.358 1.158 1.158 46 HG SER -3 HG SER -3 -7.874 3.266 3.266 47 H VAL -2 HN VAL -2 -5.713 0.195 0.195 48 HA VAL -2 HA VAL -2 -5.774 0.608 0.608 49 HB VAL -2 HB VAL -2 -7.362 -0.943 -0.943 50 1HG1 VAL -2 HG11 VAL -2 -4.820 -2.391 -2.391 51 2HG1 VAL -2 HG13 VAL -2 -6.404 -3.166 -3.166 52 3HG1 VAL -2 HG12 VAL -2 -6.086 -1.782 -1.782 53 1HG2 VAL -2 HG22 VAL -2 -6.483 -1.315 -1.315 54 2HG2 VAL -2 HG21 VAL -2 -7.182 -2.729 -2.729 55 3HG2 VAL -2 HG23 VAL -2 -5.430 -2.553 -2.553 56 H GLY -1 HN GLY -1 -4.425 -0.772 -0.772 57 1HA GLY -1 HA2 GLY -1 -2.004 -2.013 -2.013 58 2HA GLY -1 HA1 GLY -1 -1.683 -0.416 -0.416 59 H SER 0 HN SER 0 -3.049 -0.141 -0.141 60 HA SER 0 HA SER 0 -1.846 -1.942 -1.942 61 1HB SER 0 HB2 SER 0 -3.969 0.185 0.185 62 2HB SER 0 HB1 SER 0 -3.498 -0.800 -0.800 63 HG SER 0 HG SER 0 -1.314 -0.122 -0.122 64 H MET 1 HN MET 1 -3.025 -3.285 -3.285 65 HA MET 1 HA MET 1 -5.439 -4.557 -4.557 66 1HB MET 1 HB2 MET 1 -3.009 -5.695 -5.695 67 2HB MET 1 HB1 MET 1 -4.547 -6.519 -6.519 68 1HG MET 1 HG2 MET 1 -4.830 -7.033 -7.033 69 2HG MET 1 HG1 MET 1 -3.799 -5.711 -5.711 70 1HE MET 1 HE3 MET 1 -4.029 -8.777 -8.777 71 2HE MET 1 HE2 MET 1 -2.864 -7.829 -7.829 72 3HE MET 1 HE1 MET 1 -2.369 -9.359 -9.359 73 H GLU 2 HN GLU 2 -6.341 -6.040 -6.040 74 HA GLU 2 HA GLU 2 -6.858 -3.956 -3.956 75 1HB GLU 2 HB2 GLU 2 -8.638 -5.376 -5.376 76 2HB GLU 2 HB1 GLU 2 -8.784 -6.126 -6.126 77 1HG GLU 2 HG2 GLU 2 -9.480 -4.134 -4.134 78 2HG GLU 2 HG1 GLU 2 -8.791 -3.132 -3.132 79 H ALA 3 HN ALA 3 -7.662 -5.225 -5.225 80 HA ALA 3 HA ALA 3 -6.356 -7.770 -7.770 81 1HB ALA 3 HB1 ALA 3 -5.328 -5.233 -5.233 82 2HB ALA 3 HB3 ALA 3 -5.004 -6.812 -6.812 83 3HB ALA 3 HB2 ALA 3 -4.449 -6.450 -6.450 84 H ILE 4 HN ILE 4 -7.797 -8.810 -8.810 85 HA ILE 4 HA ILE 4 -9.984 -7.641 -7.641 86 HB ILE 4 HB ILE 4 -10.110 -9.824 -9.824 87 1HG1 ILE 4 HG12 ILE 4 -10.348 -10.694 -10.694 88 2HG1 ILE 4 HG11 ILE 4 -11.083 -9.117 -9.117 89 1HG2 ILE 4 HG23 ILE 4 -7.602 -10.235 -10.235 90 2HG2 ILE 4 HG22 ILE 4 -8.548 -11.160 -11.160 91 3HG2 ILE 4 HG21 ILE 4 -8.673 -11.519 -11.519 92 1HD1 ILE 4 HD12 ILE 4 -11.556 -11.394 -11.394 93 2HD1 ILE 4 HD11 ILE 4 -12.500 -11.235 -11.235 94 3HD1 ILE 4 HD13 ILE 4 -12.534 -9.954 -9.954 95 H ALA 5 HN ALA 5 -10.070 -6.743 -6.743 96 HA ALA 5 HA ALA 5 -7.912 -7.038 -7.038 97 1HB ALA 5 HB1 ALA 5 -10.576 -5.599 -5.599 98 2HB ALA 5 HB3 ALA 5 -9.642 -5.769 -5.769 99 3HB ALA 5 HB2 ALA 5 -8.956 -4.905 -4.905 100 H LYS 6 HN LYS 6 -7.889 -9.122 -9.122 101 HA LYS 6 HA LYS 6 -10.097 -10.862 -10.862 102 1HB LYS 6 HB2 LYS 6 -7.534 -10.841 -10.841 103 2HB LYS 6 HB1 LYS 6 -8.638 -12.206 -12.206 104 1HG LYS 6 HG2 LYS 6 -8.095 -12.532 -12.532 105 2HG LYS 6 HG1 LYS 6 -7.515 -10.882 -10.882 106 1HD LYS 6 HD2 LYS 6 -5.558 -12.230 -12.230 107 2HD LYS 6 HD1 LYS 6 -5.662 -11.485 -11.485 108 1HE LYS 6 HE2 LYS 6 -6.152 -13.467 -13.467 109 2HE LYS 6 HE1 LYS 6 -7.062 -14.088 -14.088 110 1HZ LYS 6 HZ2 LYS 6 -4.121 -13.761 -13.761 111 2HZ LYS 6 HZ1 LYS 6 -4.859 -15.187 -15.187 112 3HZ LYS 6 HZ3 LYS 6 -5.102 -14.676 -14.676 113 H TYR 7 HN TYR 7 -8.928 -8.356 -8.356 114 HA TYR 7 HA TYR 7 -11.278 -8.919 -8.919 115 1HB TYR 7 HB2 TYR 7 -8.598 -8.473 -8.473 116 2HB TYR 7 HB1 TYR 7 -10.053 -9.147 -9.147 117 HD1 TYR 7 HD2 TYR 7 -10.887 -11.414 -11.414 118 HD2 TYR 7 HD1 TYR 7 -6.917 -9.870 -9.870 119 HE1 TYR 7 HE2 TYR 7 -10.063 -13.692 -13.692 120 HE2 TYR 7 HE1 TYR 7 -6.083 -12.134 -12.134 121 HH TYR 7 HH TYR 7 -8.096 -14.676 -14.676 122 H ASP 8 HN ASP 8 -10.975 -7.246 -7.246 123 HA ASP 8 HA ASP 8 -11.227 -4.616 -4.616 124 1HB ASP 8 HB2 ASP 8 -12.180 -5.939 -5.939 125 2HB ASP 8 HB1 ASP 8 -11.369 -4.446 -4.446 126 H PHE 9 HN PHE 9 -10.159 -2.726 -2.726 127 HA PHE 9 HA PHE 9 -7.945 -2.767 -2.767 128 1HB PHE 9 HB2 PHE 9 -7.219 -4.071 -4.071 129 2HB PHE 9 HB1 PHE 9 -6.603 -2.441 -2.441 130 HD1 PHE 9 HD1 PHE 9 -6.976 -4.541 -4.541 131 HD2 PHE 9 HD2 PHE 9 -4.303 -2.459 -2.459 132 HE1 PHE 9 HE1 PHE 9 -5.076 -5.038 -5.038 133 HE2 PHE 9 HE2 PHE 9 -2.407 -2.950 -2.950 134 HZ PHE 9 HZ PHE 9 -2.795 -4.240 -4.240 135 H LYS 10 HN LYS 10 -6.459 -0.748 -0.748 136 HA LYS 10 HA LYS 10 -7.885 1.378 1.378 137 1HB LYS 10 HB2 LYS 10 -8.379 1.120 1.120 138 2HB LYS 10 HB1 LYS 10 -6.993 2.211 2.211 139 1HG LYS 10 HG2 LYS 10 -8.336 3.461 3.461 140 2HG LYS 10 HG1 LYS 10 -9.718 2.627 2.627 141 1HD LYS 10 HD2 LYS 10 -9.705 4.554 4.554 142 2HD LYS 10 HD1 LYS 10 -8.663 3.520 3.520 143 1HE LYS 10 HE2 LYS 10 -6.705 4.480 4.480 144 2HE LYS 10 HE1 LYS 10 -7.844 5.703 5.703 145 1HZ LYS 10 HZ1 LYS 10 -8.314 6.255 6.255 146 2HZ LYS 10 HZ3 LYS 10 -7.158 5.124 5.124 147 3HZ LYS 10 HZ2 LYS 10 -6.675 6.489 6.489 148 H ALA 11 HN ALA 11 -6.598 3.341 3.341 149 HA ALA 11 HA ALA 11 -3.919 2.668 2.668 150 1HB ALA 11 HB3 ALA 11 -5.391 4.499 4.499 151 2HB ALA 11 HB2 ALA 11 -4.926 5.480 5.480 152 3HB ALA 11 HB1 ALA 11 -3.691 4.895 4.895 153 H THR 12 HN THR 12 -2.064 2.864 2.864 154 HA THR 12 HA THR 12 -2.424 3.973 3.973 155 HB THR 12 HB THR 12 -0.580 2.572 2.572 156 HG1 THR 12 HG1 THR 12 0.721 1.579 1.579 157 1HG2 THR 12 HG21 THR 12 -2.470 1.113 1.113 158 2HG2 THR 12 HG23 THR 12 -1.431 0.314 0.314 159 3HG2 THR 12 HG22 THR 12 -2.703 1.411 1.411 160 H ALA 13 HN ALA 13 0.063 3.798 3.798 161 HA ALA 13 HA ALA 13 1.556 6.054 6.054 162 1HB ALA 13 HB1 ALA 13 1.715 4.392 4.392 163 2HB ALA 13 HB3 ALA 13 2.577 5.932 5.932 164 3HB ALA 13 HB2 ALA 13 2.942 4.655 4.655 165 H ASP 14 HN ASP 14 1.960 7.957 7.957 166 HA ASP 14 HA ASP 14 -0.437 9.380 9.380 167 1HB ASP 14 HB2 ASP 14 2.020 10.065 10.065 168 2HB ASP 14 HB1 ASP 14 2.164 10.165 10.165 169 H ASP 15 HN ASP 15 1.433 7.253 7.253 170 HA ASP 15 HA ASP 15 -0.122 8.043 8.043 171 1HB ASP 15 HB2 ASP 15 2.363 8.511 8.511 172 2HB ASP 15 HB1 ASP 15 2.595 6.764 6.764 173 H GLU 16 HN GLU 16 -0.958 6.157 6.157 174 HA GLU 16 HA GLU 16 -0.584 3.541 3.541 175 1HB GLU 16 HB2 GLU 16 -0.213 3.877 3.877 176 2HB GLU 16 HB1 GLU 16 -1.965 4.009 4.009 177 1HG GLU 16 HG2 GLU 16 -2.297 1.798 1.798 178 2HG GLU 16 HG1 GLU 16 -0.968 1.712 1.712 179 H LEU 17 HN LEU 17 -2.693 2.172 2.172 180 HA LEU 17 HA LEU 17 -4.910 3.922 3.922 181 1HB LEU 17 HB2 LEU 17 -3.543 1.958 1.958 182 2HB LEU 17 HB1 LEU 17 -5.013 1.131 1.131 183 HG LEU 17 HG LEU 17 -4.995 3.831 3.831 184 1HD1 LEU 17 HD12 LEU 17 -5.106 1.019 1.019 185 2HD1 LEU 17 HD11 LEU 17 -5.927 2.330 2.330 186 3HD1 LEU 17 HD13 LEU 17 -4.184 2.398 2.398 187 1HD2 LEU 17 HD21 LEU 17 -7.058 1.986 1.986 188 2HD2 LEU 17 HD23 LEU 17 -7.099 3.741 3.741 189 3HD2 LEU 17 HD22 LEU 17 -7.416 2.710 2.710 190 H SER 18 HN SER 18 -7.003 3.519 3.519 191 HA SER 18 HA SER 18 -7.348 1.646 1.646 192 1HB SER 18 HB2 SER 18 -9.287 3.687 3.687 193 2HB SER 18 HB1 SER 18 -8.953 3.066 3.066 194 HG SER 18 HG SER 18 -7.795 4.824 4.824 195 H PHE 19 HN PHE 19 -8.976 0.032 0.032 196 HA PHE 19 HA PHE 19 -10.925 0.109 0.109 197 1HB PHE 19 HB2 PHE 19 -10.119 -1.919 -1.919 198 2HB PHE 19 HB1 PHE 19 -8.942 -0.613 -0.613 199 HD1 PHE 19 HD1 PHE 19 -9.815 -3.705 -3.705 200 HD2 PHE 19 HD2 PHE 19 -6.750 -0.873 -0.873 201 HE1 PHE 19 HE1 PHE 19 -8.107 -5.168 -5.168 202 HE2 PHE 19 HE2 PHE 19 -5.045 -2.331 -2.331 203 HZ PHE 19 HZ PHE 19 -5.724 -4.480 -4.480 204 H LYS 20 HN LYS 20 -12.265 -1.926 -1.926 205 HA LYS 20 HA LYS 20 -12.380 -3.083 -3.083 206 1HB LYS 20 HB2 LYS 20 -14.639 -2.788 -2.788 207 2HB LYS 20 HB1 LYS 20 -14.774 -3.255 -3.255 208 1HG LYS 20 HG2 LYS 20 -13.348 -0.756 -0.756 209 2HG LYS 20 HG1 LYS 20 -14.857 -0.636 -0.636 210 1HD LYS 20 HD2 LYS 20 -16.142 -1.331 -1.331 211 2HD LYS 20 HD1 LYS 20 -14.666 -1.656 -1.656 212 1HE LYS 20 HE2 LYS 20 -14.849 0.466 0.466 213 2HE LYS 20 HE1 LYS 20 -14.327 0.975 0.975 214 1HZ LYS 20 HZ1 LYS 20 -16.679 0.954 0.954 215 2HZ LYS 20 HZ3 LYS 20 -17.125 0.597 0.597 216 3HZ LYS 20 HZ2 LYS 20 -16.365 2.074 2.074 217 H ARG 21 HN ARG 21 -13.799 -5.189 -5.189 218 HA ARG 21 HA ARG 21 -12.265 -7.107 -7.107 219 1HB ARG 21 HB2 ARG 21 -13.329 -7.459 -7.459 220 2HB ARG 21 HB1 ARG 21 -14.901 -7.464 -7.464 221 1HG ARG 21 HG2 ARG 21 -14.520 -9.500 -9.500 222 2HG ARG 21 HG1 ARG 21 -12.769 -9.277 -9.277 223 1HD ARG 21 HD2 ARG 21 -12.565 -10.399 -10.399 224 2HD ARG 21 HD1 ARG 21 -13.657 -9.269 -9.269 225 HE ARG 21 HE ARG 21 -14.473 -11.829 -11.829 226 1HH1 ARG 21 HH11 ARG 21 -15.793 -8.846 -8.846 227 2HH1 ARG 21 HH12 ARG 21 -17.040 -9.482 -9.482 228 1HH2 ARG 21 HH21 ARG 21 -15.819 -12.726 -12.726 229 2HH2 ARG 21 HH22 ARG 21 -17.055 -11.675 -11.675 230 H GLY 22 HN GLY 22 -12.538 -6.912 -6.912 231 1HA GLY 22 HA2 GLY 22 -13.949 -7.931 -7.931 232 2HA GLY 22 HA1 GLY 22 -15.335 -7.165 -7.165 233 H ASP 23 HN ASP 23 -12.808 -4.982 -4.982 234 HA ASP 23 HA ASP 23 -13.855 -3.406 -3.406 235 1HB ASP 23 HB2 ASP 23 -12.343 -3.012 -3.012 236 2HB ASP 23 HB1 ASP 23 -11.846 -1.988 -1.988 237 H ILE 24 HN ILE 24 -12.984 -4.544 -4.544 238 HA ILE 24 HA ILE 24 -10.169 -5.176 -5.176 239 HB ILE 24 HB ILE 24 -11.934 -4.830 -4.830 240 1HG1 ILE 24 HG12 ILE 24 -11.899 -7.049 -7.049 241 2HG1 ILE 24 HG11 ILE 24 -13.297 -6.181 -6.181 242 1HG2 ILE 24 HG22 ILE 24 -9.315 -5.403 -5.403 243 2HG2 ILE 24 HG21 ILE 24 -9.948 -7.026 -7.026 244 3HG2 ILE 24 HG23 ILE 24 -10.318 -6.128 -6.128 245 1HD1 ILE 24 HD12 ILE 24 -12.173 -7.310 -7.310 246 2HD1 ILE 24 HD11 ILE 24 -11.967 -8.558 -8.558 247 3HD1 ILE 24 HD13 ILE 24 -13.576 -7.928 -7.928 248 H LEU 25 HN LEU 25 -8.552 -3.891 -3.891 249 HA LEU 25 HA LEU 25 -9.078 -1.065 -1.065 250 1HB LEU 25 HB2 LEU 25 -6.484 -2.405 -2.405 251 2HB LEU 25 HB1 LEU 25 -6.840 -0.675 -0.675 252 HG LEU 25 HG LEU 25 -8.871 -1.545 -1.545 253 1HD1 LEU 25 HD12 LEU 25 -6.777 -3.677 -3.677 254 2HD1 LEU 25 HD11 LEU 25 -7.537 -3.233 -3.233 255 3HD1 LEU 25 HD13 LEU 25 -8.526 -3.825 -3.825 256 1HD2 LEU 25 HD22 LEU 25 -7.189 0.172 0.172 257 2HD2 LEU 25 HD21 LEU 25 -7.493 -0.922 -0.922 258 3HD2 LEU 25 HD23 LEU 25 -6.033 -1.104 -1.104 259 H LYS 26 HN LYS 26 -7.125 -0.054 -0.054 260 HA LYS 26 HA LYS 26 -6.830 -1.727 -1.727 261 1HB LYS 26 HB2 LYS 26 -7.029 1.263 1.263 262 2HB LYS 26 HB1 LYS 26 -6.428 0.572 0.572 263 1HG LYS 26 HG2 LYS 26 -8.696 -0.896 -0.896 264 2HG LYS 26 HG1 LYS 26 -9.185 0.623 0.623 265 1HD LYS 26 HD2 LYS 26 -8.074 1.669 1.669 266 2HD LYS 26 HD1 LYS 26 -8.424 0.077 0.077 267 1HE LYS 26 HE2 LYS 26 -10.481 0.949 0.949 268 2HE LYS 26 HE1 LYS 26 -10.781 0.649 0.649 269 1HZ LYS 26 HZ3 LYS 26 -9.855 2.916 2.916 270 2HZ LYS 26 HZ2 LYS 26 -9.876 3.175 3.175 271 3HZ LYS 26 HZ1 LYS 26 -11.328 2.896 2.896 272 H VAL 27 HN VAL 27 -4.828 -2.705 -2.705 273 HA VAL 27 HA VAL 27 -2.677 -1.412 -1.412 274 HB VAL 27 HB VAL 27 -3.025 -3.920 -3.920 275 1HG1 VAL 27 HG11 VAL 27 -3.103 -3.542 -3.542 276 2HG1 VAL 27 HG13 VAL 27 -1.345 -3.604 -3.604 277 3HG1 VAL 27 HG12 VAL 27 -2.317 -4.982 -4.982 278 1HG2 VAL 27 HG21 VAL 27 -0.418 -2.449 -2.449 279 2HG2 VAL 27 HG23 VAL 27 -1.079 -3.328 -3.328 280 3HG2 VAL 27 HG22 VAL 27 -0.435 -4.213 -4.213 281 H LEU 28 HN LEU 28 -1.849 0.424 0.424 282 HA LEU 28 HA LEU 28 -1.518 1.065 1.065 283 1HB LEU 28 HB2 LEU 28 -0.213 2.656 2.656 284 2HB LEU 28 HB1 LEU 28 -0.924 3.228 3.228 285 HG LEU 28 HG LEU 28 -2.987 1.996 1.996 286 1HD1 LEU 28 HD13 LEU 28 -1.316 4.119 4.119 287 2HD1 LEU 28 HD12 LEU 28 -2.945 3.673 3.673 288 3HD1 LEU 28 HD11 LEU 28 -1.642 2.487 2.487 289 1HD2 LEU 28 HD21 LEU 28 -2.779 4.027 4.027 290 2HD2 LEU 28 HD23 LEU 28 -4.168 3.802 3.802 291 3HD2 LEU 28 HD22 LEU 28 -2.894 4.938 4.938 292 H ASN 29 HN ASN 29 0.407 -0.035 -0.035 293 HA ASN 29 HA ASN 29 2.689 -0.409 -0.409 294 1HB ASN 29 HB2 ASN 29 2.944 1.566 1.566 295 2HB ASN 29 HB1 ASN 29 3.187 0.305 0.305 296 1HD2 ASN 29 HD22 ASN 29 6.495 1.257 1.257 297 2HD2 ASN 29 HD21 ASN 29 5.271 2.167 2.167 298 H GLU 30 HN GLU 30 3.218 -2.508 -2.508 299 HA GLU 30 HA GLU 30 2.653 -4.223 -4.223 300 1HB GLU 30 HB2 GLU 30 2.974 -5.244 -5.244 301 2HB GLU 30 HB1 GLU 30 2.245 -6.069 -6.069 302 1HG GLU 30 HG2 GLU 30 0.241 -5.330 -5.330 303 2HG GLU 30 HG1 GLU 30 0.747 -3.711 -3.711 304 H GLU 31 HN GLU 31 4.892 -2.966 -2.966 305 HA GLU 31 HA GLU 31 7.105 -4.599 -4.599 306 1HB GLU 31 HB2 GLU 31 6.980 -1.875 -1.875 307 2HB GLU 31 HB1 GLU 31 8.510 -2.739 -2.739 308 1HG GLU 31 HG2 GLU 31 6.758 -2.511 -2.511 309 2HG GLU 31 HG1 GLU 31 7.693 -1.100 -1.100 310 H CYS 32 HN CYS 32 8.937 -5.026 -5.026 311 HA CYS 32 HA CYS 32 7.841 -6.501 -6.501 312 1HB CYS 32 HB2 CYS 32 10.660 -5.778 -5.778 313 2HB CYS 32 HB1 CYS 32 10.306 -6.687 -6.687 314 HG CYS 32 HG CYS 32 8.929 -8.326 -8.326 315 H ASP 33 HN ASP 33 8.327 -6.074 -6.074 316 HA ASP 33 HA ASP 33 9.357 -3.662 -3.662 317 1HB ASP 33 HB2 ASP 33 6.974 -3.208 -3.208 318 2HB ASP 33 HB1 ASP 33 6.443 -3.816 -3.816 319 H GLN 34 HN GLN 34 7.570 -3.631 -3.631 320 HA GLN 34 HA GLN 34 8.683 -6.033 -6.033 321 1HB GLN 34 HB2 GLN 34 7.955 -5.006 -5.006 322 2HB GLN 34 HB1 GLN 34 9.071 -3.998 -3.998 323 1HG GLN 34 HG2 GLN 34 7.462 -2.466 -2.466 324 2HG GLN 34 HG1 GLN 34 6.175 -3.667 -3.667 325 1HE2 GLN 34 HE22 GLN 34 7.370 -2.522 -2.522 326 2HE2 GLN 34 HE21 GLN 34 8.543 -2.921 -2.921 327 H ASN 35 HN ASN 35 6.650 -6.609 -6.609 328 HA ASN 35 HA ASN 35 4.825 -8.013 -8.013 329 1HB ASN 35 HB2 ASN 35 5.225 -7.996 -7.996 330 2HB ASN 35 HB1 ASN 35 3.672 -8.524 -8.524 331 1HD2 ASN 35 HD22 ASN 35 6.825 -10.639 -10.639 332 2HD2 ASN 35 HD21 ASN 35 6.854 -8.942 -8.942 333 H TRP 36 HN TRP 36 4.575 -5.076 -5.076 334 HA TRP 36 HA TRP 36 1.599 -4.996 -4.996 335 1HB TRP 36 HB2 TRP 36 3.332 -2.548 -2.548 336 2HB TRP 36 HB1 TRP 36 1.573 -2.654 -2.654 337 HD1 TRP 36 HD1 TRP 36 4.416 -4.852 -4.852 338 HE1 TRP 36 HE1 TRP 36 4.075 -5.069 -5.069 339 HE3 TRP 36 HE3 TRP 36 0.226 -1.945 -1.945 340 HZ2 TRP 36 HZ2 TRP 36 2.354 -4.128 -4.128 341 HZ3 TRP 36 HZ3 TRP 36 -0.689 -1.607 -1.607 342 HH2 TRP 36 HH2 TRP 36 0.354 -2.701 -2.701 343 H TYR 37 HN TYR 37 0.559 -4.185 -4.185 344 HA TYR 37 HA TYR 37 2.201 -3.554 -3.554 345 1HB TYR 37 HB2 TYR 37 -0.772 -3.907 -3.907 346 2HB TYR 37 HB1 TYR 37 -0.092 -3.401 -3.401 347 HD1 TYR 37 HD1 TYR 37 2.260 -5.075 -5.075 348 HD2 TYR 37 HD2 TYR 37 -1.567 -6.044 -6.044 349 HE1 TYR 37 HE1 TYR 37 2.556 -7.447 -7.447 350 HE2 TYR 37 HE2 TYR 37 -1.280 -8.406 -8.406 351 HH TYR 37 HH TYR 37 0.207 -9.576 -9.576 352 H LYS 38 HN LYS 38 1.035 -1.809 -1.809 353 HA LYS 38 HA LYS 38 0.368 0.602 0.602 354 1HB LYS 38 HB2 LYS 38 2.561 0.587 0.587 355 2HB LYS 38 HB1 LYS 38 1.433 0.745 0.745 356 1HG LYS 38 HG2 LYS 38 0.464 2.601 2.601 357 2HG LYS 38 HG1 LYS 38 2.207 2.718 2.718 358 1HD LYS 38 HD2 LYS 38 1.757 2.549 2.549 359 2HD LYS 38 HD1 LYS 38 0.614 3.732 3.732 360 1HE LYS 38 HE2 LYS 38 2.559 4.786 4.786 361 2HE LYS 38 HE1 LYS 38 3.623 3.733 3.733 362 1HZ LYS 38 HZ1 LYS 38 2.634 4.667 4.667 363 2HZ LYS 38 HZ3 LYS 38 1.720 5.738 5.738 364 3HZ LYS 38 HZ2 LYS 38 3.415 5.848 5.848 365 H ALA 39 HN ALA 39 -1.745 1.284 1.284 366 HA ALA 39 HA ALA 39 -2.933 0.768 0.768 367 1HB ALA 39 HB2 ALA 39 -3.107 -1.394 -1.394 368 2HB ALA 39 HB1 ALA 39 -4.108 -0.566 -0.566 369 3HB ALA 39 HB3 ALA 39 -4.668 -0.708 -0.708 370 H GLU 40 HN GLU 40 -5.476 1.065 1.065 371 HA GLU 40 HA GLU 40 -5.891 3.369 3.369 372 1HB GLU 40 HB2 GLU 40 -5.550 4.920 4.920 373 2HB GLU 40 HB1 GLU 40 -4.878 3.656 3.656 374 1HG GLU 40 HG2 GLU 40 -7.075 3.340 3.340 375 2HG GLU 40 HG1 GLU 40 -7.822 4.468 4.468 376 H LEU 41 HN LEU 41 -7.806 3.499 3.499 377 HA LEU 41 HA LEU 41 -9.938 1.811 1.811 378 1HB LEU 41 HB2 LEU 41 -9.369 2.793 2.793 379 2HB LEU 41 HB1 LEU 41 -11.066 2.569 2.569 380 HG LEU 41 HG LEU 41 -9.033 0.481 0.481 381 1HD1 LEU 41 HD12 LEU 41 -8.867 0.986 0.986 382 2HD1 LEU 41 HD11 LEU 41 -10.612 0.779 0.779 383 3HD1 LEU 41 HD13 LEU 41 -9.595 -0.598 -0.598 384 1HD2 LEU 41 HD22 LEU 41 -11.401 0.589 0.589 385 2HD2 LEU 41 HD21 LEU 41 -10.951 -0.925 -0.925 386 3HD2 LEU 41 HD23 LEU 41 -11.964 0.249 0.249 387 H ASN 42 HN ASN 42 -10.710 2.891 2.891 388 HA ASN 42 HA ASN 42 -11.873 4.562 4.562 389 1HB ASN 42 HB2 ASN 42 -13.195 3.993 3.993 390 2HB ASN 42 HB1 ASN 42 -13.812 5.355 5.355 391 1HD2 ASN 42 HD22 ASN 42 -15.046 1.768 1.768 392 2HD2 ASN 42 HD21 ASN 42 -14.542 2.237 2.237 393 H GLY 43 HN GLY 43 -9.631 5.745 5.745 394 1HA GLY 43 HA2 GLY 43 -9.627 8.376 8.376 395 2HA GLY 43 HA1 GLY 43 -10.780 8.362 8.362 396 H LYS 44 HN LYS 44 -9.414 6.276 6.276 397 HA LYS 44 HA LYS 44 -7.265 7.896 7.896 398 1HB LYS 44 HB2 LYS 44 -8.931 5.628 5.628 399 2HB LYS 44 HB1 LYS 44 -7.307 5.867 5.867 400 1HG LYS 44 HG2 LYS 44 -7.772 8.001 8.001 401 2HG LYS 44 HG1 LYS 44 -9.195 8.183 8.183 402 1HD LYS 44 HD2 LYS 44 -9.942 7.770 7.770 403 2HD LYS 44 HD1 LYS 44 -10.301 6.344 6.344 404 1HE LYS 44 HE2 LYS 44 -9.289 5.381 5.381 405 2HE LYS 44 HE1 LYS 44 -7.920 5.569 5.569 406 1HZ LYS 44 HZ2 LYS 44 -8.639 7.725 7.725 407 2HZ LYS 44 HZ1 LYS 44 -7.704 6.408 6.408 408 3HZ LYS 44 HZ3 LYS 44 -7.140 7.396 7.396 409 H ASP 45 HN ASP 45 -5.386 6.518 6.518 410 HA ASP 45 HA ASP 45 -4.758 4.216 4.216 411 1HB ASP 45 HB2 ASP 45 -3.651 5.022 5.022 412 2HB ASP 45 HB1 ASP 45 -4.670 6.415 6.415 413 H GLY 46 HN GLY 46 -2.190 3.923 3.923 414 1HA GLY 46 HA2 GLY 46 -0.179 4.659 4.659 415 2HA GLY 46 HA1 GLY 46 -1.249 4.670 4.670 416 H PHE 47 HN PHE 47 0.588 3.199 3.199 417 HA PHE 47 HA PHE 47 0.901 0.583 0.583 418 1HB PHE 47 HB2 PHE 47 1.461 1.564 1.564 419 2HB PHE 47 HB1 PHE 47 2.057 0.054 0.054 420 HD1 PHE 47 HD1 PHE 47 3.164 0.418 0.418 421 HD2 PHE 47 HD2 PHE 47 2.941 3.350 3.350 422 HE1 PHE 47 HE1 PHE 47 5.079 1.633 1.633 423 HE2 PHE 47 HE2 PHE 47 4.856 4.566 4.566 424 HZ PHE 47 HZ PHE 47 5.925 3.707 3.707 425 H ILE 48 HN ILE 48 0.148 -1.457 -1.457 426 HA ILE 48 HA ILE 48 -2.039 -1.367 -1.367 427 HB ILE 48 HB ILE 48 -3.438 -2.828 -2.828 428 1HG1 ILE 48 HG12 ILE 48 -1.452 -1.849 -1.849 429 2HG1 ILE 48 HG11 ILE 48 -1.577 -3.510 -3.510 430 1HG2 ILE 48 HG22 ILE 48 -3.389 -0.141 -0.141 431 2HG2 ILE 48 HG21 ILE 48 -3.041 -0.275 -0.275 432 3HG2 ILE 48 HG23 ILE 48 -4.518 -0.975 -0.975 433 1HD1 ILE 48 HD11 ILE 48 -4.199 -2.817 -2.817 434 2HD1 ILE 48 HD13 ILE 48 -3.182 -2.143 -2.143 435 3HD1 ILE 48 HD12 ILE 48 -3.101 -3.863 -3.863 436 HA PRO 49 HA PRO 49 0.413 -4.917 -4.917 437 1HB PRO 49 HB2 PRO 49 -1.222 -6.011 -6.011 438 2HB PRO 49 HB1 PRO 49 -0.080 -4.678 -4.678 439 1HG PRO 49 HG2 PRO 49 -3.069 -4.582 -4.582 440 2HG PRO 49 HG1 PRO 49 -2.005 -3.496 -3.496 441 1HD PRO 49 HD2 PRO 49 -3.082 -2.900 -2.900 442 2HD PRO 49 HD1 PRO 49 -1.706 -2.094 -2.094 443 H LYS 50 HN LYS 50 0.475 -6.373 -6.373 444 HA LYS 50 HA LYS 50 -1.492 -7.539 -7.539 445 1HB LYS 50 HB2 LYS 50 1.145 -7.663 -7.663 446 2HB LYS 50 HB1 LYS 50 0.824 -9.210 -9.210 447 1HG LYS 50 HG2 LYS 50 -0.330 -10.036 -10.036 448 2HG LYS 50 HG1 LYS 50 -0.557 -8.418 -8.418 449 1HD LYS 50 HD2 LYS 50 1.572 -8.354 -8.354 450 2HD LYS 50 HD1 LYS 50 2.276 -9.240 -9.240 451 1HE LYS 50 HE2 LYS 50 1.483 -11.342 -11.342 452 2HE LYS 50 HE1 LYS 50 0.506 -10.539 -10.539 453 1HZ LYS 50 HZ2 LYS 50 2.764 -9.538 -9.538 454 2HZ LYS 50 HZ1 LYS 50 3.428 -10.854 -10.854 455 3HZ LYS 50 HZ3 LYS 50 2.380 -11.128 -11.128 456 H ASN 51 HN ASN 51 -0.842 -8.405 -8.405 457 HA ASN 51 HA ASN 51 -1.751 -11.024 -11.024 458 1HB ASN 51 HB2 ASN 51 -1.295 -8.990 -8.990 459 2HB ASN 51 HB1 ASN 51 -2.286 -10.326 -10.326 460 1HD2 ASN 51 HD22 ASN 51 0.467 -12.698 -12.698 461 2HD2 ASN 51 HD21 ASN 51 -1.171 -12.545 -12.545 462 H TYR 52 HN TYR 52 -3.383 -8.011 -8.011 463 HA TYR 52 HA TYR 52 -6.015 -9.269 -9.269 464 1HB TYR 52 HB2 TYR 52 -5.118 -6.384 -6.384 465 2HB TYR 52 HB1 TYR 52 -6.787 -6.876 -6.876 466 HD1 TYR 52 HD1 TYR 52 -3.445 -7.632 -7.632 467 HD2 TYR 52 HD2 TYR 52 -7.590 -6.826 -6.826 468 HE1 TYR 52 HE1 TYR 52 -3.132 -7.631 -7.631 469 HE2 TYR 52 HE2 TYR 52 -7.295 -6.830 -6.830 470 HH TYR 52 HH TYR 52 -4.169 -6.830 -6.830 471 H ILE 53 HN ILE 53 -4.287 -9.416 -9.416 472 HA ILE 53 HA ILE 53 -6.360 -8.575 -8.575 473 HB ILE 53 HB ILE 53 -3.747 -7.634 -7.634 474 1HG1 ILE 53 HG12 ILE 53 -5.355 -5.986 -5.986 475 2HG1 ILE 53 HG11 ILE 53 -3.881 -6.847 -6.847 476 1HG2 ILE 53 HG22 ILE 53 -6.601 -6.977 -6.977 477 2HG2 ILE 53 HG21 ILE 53 -5.458 -5.652 -5.652 478 3HG2 ILE 53 HG23 ILE 53 -5.314 -7.079 -7.079 479 1HD1 ILE 53 HD11 ILE 53 -3.073 -5.549 -5.549 480 2HD1 ILE 53 HD13 ILE 53 -4.236 -4.398 -4.398 481 3HD1 ILE 53 HD12 ILE 53 -2.864 -4.913 -4.913 482 H GLU 54 HN GLU 54 -5.709 -9.003 -9.003 483 HA GLU 54 HA GLU 54 -3.758 -11.015 -11.015 484 1HB GLU 54 HB2 GLU 54 -6.558 -11.662 -11.662 485 2HB GLU 54 HB1 GLU 54 -5.945 -12.107 -12.107 486 1HG GLU 54 HG2 GLU 54 -4.172 -13.430 -13.430 487 2HG GLU 54 HG1 GLU 54 -4.604 -12.876 -12.876 488 H MET 55 HN MET 55 -3.477 -11.268 -11.268 489 HA MET 55 HA MET 55 -4.206 -8.723 -8.723 490 1HB MET 55 HB2 MET 55 -1.809 -9.840 -9.840 491 2HB MET 55 HB1 MET 55 -2.357 -10.702 -10.702 492 1HG MET 55 HG2 MET 55 -2.673 -8.693 -8.693 493 2HG MET 55 HG1 MET 55 -2.601 -7.703 -7.703 494 1HE MET 55 HE2 MET 55 -1.284 -8.906 -8.906 495 2HE MET 55 HE1 MET 55 0.419 -8.460 -8.460 496 3HE MET 55 HE3 MET 55 -0.057 -10.067 -10.067 497 H LYS 56 HN LYS 56 -6.043 -8.786 -8.786 498 HA LYS 56 HA LYS 56 -6.705 -11.206 -11.206 499 1HB LYS 56 HB2 LYS 56 -8.210 -8.906 -8.906 500 2HB LYS 56 HB1 LYS 56 -8.792 -9.676 -9.676 501 1HG LYS 56 HG2 LYS 56 -8.998 -11.792 -11.792 502 2HG LYS 56 HG1 LYS 56 -8.036 -11.254 -11.254 503 1HD LYS 56 HD2 LYS 56 -10.430 -11.303 -11.303 504 2HD LYS 56 HD1 LYS 56 -9.822 -9.649 -9.649 505 1HE LYS 56 HE2 LYS 56 -11.959 -9.663 -9.663 506 2HE LYS 56 HE1 LYS 56 -10.681 -9.363 -9.363 507 1HZ LYS 56 HZ1 LYS 56 -11.484 -12.138 -12.138 508 2HZ LYS 56 HZ3 LYS 56 -12.521 -11.166 -11.166 509 3HZ LYS 56 HZ2 LYS 56 -10.918 -11.417 -11.417 510 HA PRO 57 HA PRO 57 -5.547 -9.459 -9.459 511 1HB PRO 57 HB2 PRO 57 -6.944 -11.018 -11.018 512 2HB PRO 57 HB1 PRO 57 -5.472 -11.539 -11.539 513 1HG PRO 57 HG2 PRO 57 -8.292 -12.242 -12.242 514 2HG PRO 57 HG1 PRO 57 -6.828 -13.148 -13.148 515 1HD PRO 57 HD2 PRO 57 -8.314 -11.670 -11.670 516 2HD PRO 57 HD1 PRO 57 -6.672 -12.307 -12.307 517 H HIS 58 HN HIS 58 -6.903 -9.131 -9.131 518 HA HIS 58 HA HIS 58 -9.411 -7.658 -7.658 519 1HB HIS 58 HB2 HIS 58 -6.871 -6.542 -6.542 520 2HB HIS 58 HB1 HIS 58 -8.186 -6.180 -6.180 521 HD1 HIS 58 HD1 HIS 58 -8.813 -3.818 -3.818 522 HD2 HIS 58 HD2 HIS 58 -8.435 -6.206 -6.206 523 HE1 HIS 58 HE1 HIS 58 -9.577 -2.403 -2.403 524 HA PRO 59 HA PRO 59 -10.123 -10.378 -10.378 525 1HB PRO 59 HB2 PRO 59 -12.835 -10.651 -10.651 526 2HB PRO 59 HB1 PRO 59 -11.620 -11.654 -11.654 527 1HG PRO 59 HG2 PRO 59 -13.251 -9.409 -9.409 528 2HG PRO 59 HG1 PRO 59 -12.550 -10.806 -10.806 529 1HD PRO 59 HD2 PRO 59 -11.496 -8.182 -8.182 530 2HD PRO 59 HD1 PRO 59 -10.636 -9.650 -9.650 531 H GLU 60 HN GLU 60 -13.097 -8.479 -8.479 532 HA GLU 60 HA GLU 60 -12.434 -6.557 -6.557 533 1HB GLU 60 HB2 GLU 60 -14.145 -8.945 -8.945 534 2HB GLU 60 HB1 GLU 60 -14.704 -7.407 -7.407 535 1HG GLU 60 HG2 GLU 60 -11.906 -7.567 -7.567 536 2HG GLU 60 HG1 GLU 60 -12.604 -9.124 -9.124 537 H PHE 61 HN PHE 61 -14.488 -5.181 -5.181 538 HA PHE 61 HA PHE 61 -16.346 -5.120 -5.120 539 1HB PHE 61 HB2 PHE 61 -14.388 -3.604 -3.604 540 2HB PHE 61 HB1 PHE 61 -14.841 -2.663 -2.663 541 HD1 PHE 61 HD1 PHE 61 -16.308 -4.054 -4.054 542 HD2 PHE 61 HD2 PHE 61 -16.389 -0.924 -0.924 543 HE1 PHE 61 HE1 PHE 61 -18.006 -2.841 -2.841 544 HE2 PHE 61 HE2 PHE 61 -18.087 0.290 0.290 545 HZ PHE 61 HZ PHE 61 -18.895 -0.669 -0.669 546 H ILE 62 HN ILE 62 -18.306 -5.205 -5.205 547 HA ILE 62 HA ILE 62 -18.757 -3.447 -3.447 548 HB ILE 62 HB ILE 62 -18.598 -5.826 -5.826 549 1HG1 ILE 62 HG12 ILE 62 -21.175 -5.926 -5.926 550 2HG1 ILE 62 HG11 ILE 62 -21.122 -4.250 -4.250 551 1HG2 ILE 62 HG23 ILE 62 -19.458 -6.660 -6.660 552 2HG2 ILE 62 HG22 ILE 62 -21.077 -6.331 -6.331 553 3HG2 ILE 62 HG21 ILE 62 -20.044 -7.510 -7.510 554 1HD1 ILE 62 HD11 ILE 62 -18.906 -5.259 -5.259 555 2HD1 ILE 62 HD13 ILE 62 -20.459 -4.871 -4.871 556 3HD1 ILE 62 HD12 ILE 62 -19.567 -3.629 -3.629 557 H VAL 63 HN VAL 63 -20.582 -2.179 -2.179 558 HA VAL 63 HA VAL 63 -22.580 -2.814 -2.814 559 HB VAL 63 HB VAL 63 -21.448 -0.048 -0.048 560 1HG1 VAL 63 HG13 VAL 63 -23.444 -1.190 -1.190 561 2HG1 VAL 63 HG12 VAL 63 -22.643 0.360 0.360 562 3HG1 VAL 63 HG11 VAL 63 -23.681 0.131 0.131 563 1HG2 VAL 63 HG22 VAL 63 -19.793 -1.579 -1.579 564 2HG2 VAL 63 HG21 VAL 63 -20.314 -0.303 -0.303 565 3HG2 VAL 63 HG23 VAL 63 -20.963 -1.933 -1.933 566 H THR 64 HN THR 64 -24.146 -3.419 -3.419 567 HA THR 64 HA THR 64 -24.943 -1.318 -1.318 568 HB THR 64 HB THR 64 -26.120 -3.266 -3.266 569 HG1 THR 64 HG1 THR 64 -25.615 -5.283 -5.283 570 1HG2 THR 64 HG23 THR 64 -23.711 -2.274 -2.274 571 2HG2 THR 64 HG22 THR 64 -23.187 -3.846 -3.846 572 3HG2 THR 64 HG21 THR 64 -24.223 -3.749 -3.749 573 H ASP 65 HN ASP 65 -26.055 -3.480 -3.480 574 HA ASP 65 HA ASP 65 -28.043 -3.495 -3.495 575 1HB ASP 65 HB2 ASP 65 -27.404 -1.031 -1.031 576 2HB ASP 65 HB1 ASP 65 -28.534 -0.735 -0.735 577 1H SER 1 HT2 SER 1 -5.406 -15.956 -15.956 578 2H SER 1 HT1 SER 1 -4.080 -16.733 -16.733 579 3H SER 1 HT3 SER 1 -4.805 -15.410 -15.410 580 HA SER 1 HA SER 1 -3.898 -13.873 -13.873 581 1HB SER 1 HB2 SER 1 -2.094 -14.863 -14.863 582 2HB SER 1 HB1 SER 1 -1.954 -16.200 -16.200 583 HG SER 1 HG SER 1 -1.230 -13.496 -13.496 584 HA PRO 2 HA PRO 2 -4.813 -15.701 -15.701 585 1HB PRO 2 HB2 PRO 2 -6.298 -13.575 -13.575 586 2HB PRO 2 HB1 PRO 2 -6.984 -14.931 -14.931 587 1HG PRO 2 HG2 PRO 2 -6.429 -12.143 -12.143 588 2HG PRO 2 HG1 PRO 2 -7.620 -13.308 -13.308 589 1HD PRO 2 HD2 PRO 2 -5.133 -12.694 -12.694 590 2HD PRO 2 HD1 PRO 2 -6.183 -14.069 -14.069 591 H LEU 3 HN LEU 3 -3.703 -15.220 -15.220 592 HA LEU 3 HA LEU 3 -1.704 -13.059 -13.059 593 1HB LEU 3 HB2 LEU 3 -1.073 -15.348 -15.348 594 2HB LEU 3 HB1 LEU 3 -2.125 -15.147 -15.147 595 HG LEU 3 HG LEU 3 -0.253 -12.902 -12.902 596 1HD1 LEU 3 HD13 LEU 3 0.817 -15.677 -15.677 597 2HD1 LEU 3 HD12 LEU 3 1.722 -14.178 -14.178 598 3HD1 LEU 3 HD11 LEU 3 1.220 -14.685 -14.685 599 1HD2 LEU 3 HD22 LEU 3 -1.376 -14.613 -14.613 600 2HD2 LEU 3 HD21 LEU 3 -1.197 -12.859 -12.859 601 3HD2 LEU 3 HD23 LEU 3 0.193 -13.872 -13.872 602 H LEU 4 HN LEU 4 -4.855 -13.383 -13.383 603 HA LEU 4 HA LEU 4 -4.748 -12.026 -12.026 604 1HB LEU 4 HB2 LEU 4 -6.771 -12.978 -12.978 605 2HB LEU 4 HB1 LEU 4 -7.011 -11.236 -11.236 606 HG LEU 4 HG LEU 4 -6.478 -12.295 -12.295 607 1HD1 LEU 4 HD12 LEU 4 -8.185 -13.819 -13.819 608 2HD1 LEU 4 HD11 LEU 4 -9.285 -12.474 -12.474 609 3HD1 LEU 4 HD13 LEU 4 -8.540 -13.319 -13.319 610 1HD2 LEU 4 HD23 LEU 4 -7.032 -9.861 -9.861 611 2HD2 LEU 4 HD22 LEU 4 -7.774 -10.452 -10.452 612 3HD2 LEU 4 HD21 LEU 4 -8.695 -10.447 -10.447 613 HA PRO 5 HA PRO 5 -5.038 -7.836 -7.836 614 1HB PRO 5 HB2 PRO 5 -4.620 -7.761 -7.761 615 2HB PRO 5 HB1 PRO 5 -6.218 -7.935 -7.935 616 1HG PRO 5 HG2 PRO 5 -4.552 -10.000 -10.000 617 2HG PRO 5 HG1 PRO 5 -6.312 -9.927 -9.927 618 1HD PRO 5 HD2 PRO 5 -4.540 -11.537 -11.537 619 2HD PRO 5 HD1 PRO 5 -6.239 -11.209 -11.209 620 H LYS 6 HN LYS 6 -3.328 -6.325 -6.325 621 HA LYS 6 HA LYS 6 -1.106 -5.601 -5.601 622 1HB LYS 6 HB2 LYS 6 -0.686 -8.068 -8.068 623 2HB LYS 6 HB1 LYS 6 0.345 -6.639 -6.639 624 1HG LYS 6 HG2 LYS 6 -1.673 -5.281 -5.281 625 2HG LYS 6 HG1 LYS 6 -2.500 -6.810 -6.810 626 1HD LYS 6 HD2 LYS 6 0.209 -6.582 -6.582 627 2HD LYS 6 HD1 LYS 6 -1.013 -5.515 -5.515 628 1HE LYS 6 HE2 LYS 6 -1.865 -8.320 -8.320 629 2HE LYS 6 HE1 LYS 6 -0.662 -8.078 -8.078 630 1HZ LYS 6 HZ2 LYS 6 -3.035 -6.341 -6.341 631 2HZ LYS 6 HZ1 LYS 6 -3.157 -7.885 -7.885 632 3HZ LYS 6 HZ3 LYS 6 -2.075 -6.749 -6.749 633 H LEU 7 HN LEU 7 1.013 -6.061 -6.061 634 HA LEU 7 HA LEU 7 1.014 -8.454 -8.454 635 1HB LEU 7 HB2 LEU 7 2.110 -5.660 -5.660 636 2HB LEU 7 HB1 LEU 7 2.655 -7.009 -7.009 637 HG LEU 7 HG LEU 7 0.843 -5.811 -5.811 638 1HD1 LEU 7 HD12 LEU 7 1.035 -8.404 -8.404 639 2HD1 LEU 7 HD11 LEU 7 -0.421 -8.344 -8.344 640 3HD1 LEU 7 HD13 LEU 7 -0.438 -7.670 -7.670 641 1HD2 LEU 7 HD22 LEU 7 -0.147 -5.276 -5.276 642 2HD2 LEU 7 HD21 LEU 7 -1.130 -5.197 -5.197 643 3HD2 LEU 7 HD23 LEU 7 -1.184 -6.634 -6.634 644 HA PRO 8 HA PRO 8 4.565 -9.051 -9.051 645 1HB PRO 8 HB2 PRO 8 4.394 -11.795 -11.795 646 2HB PRO 8 HB1 PRO 8 3.483 -10.719 -10.719 647 1HG PRO 8 HG2 PRO 8 2.508 -12.284 -12.284 648 2HG PRO 8 HG1 PRO 8 1.614 -11.728 -11.728 649 1HD PRO 8 HD2 PRO 8 1.558 -10.525 -10.525 650 2HD PRO 8 HD1 PRO 8 0.941 -9.808 -9.808 651 HA PRO 9 HA PRO 9 7.348 -10.097 -10.097 652 1HB PRO 9 HB2 PRO 9 9.652 -10.493 -10.493 653 2HB PRO 9 HB1 PRO 9 8.980 -8.892 -8.892 654 1HG PRO 9 HG2 PRO 9 8.962 -10.397 -10.397 655 2HG PRO 9 HG1 PRO 9 8.867 -8.651 -8.651 656 1HD PRO 9 HD2 PRO 9 6.687 -10.365 -10.365 657 2HD PRO 9 HD1 PRO 9 6.576 -8.682 -8.682 658 H LYS 10 HN LYS 10 8.648 -12.082 -12.082 659 HA LYS 10 HA LYS 10 8.939 -14.402 -14.402 660 1HB LYS 10 HB2 LYS 10 9.026 -14.220 -14.220 661 2HB LYS 10 HB1 LYS 10 9.654 -15.545 -15.545 662 1HG LYS 10 HG2 LYS 10 11.124 -13.817 -13.817 663 2HG LYS 10 HG1 LYS 10 10.656 -12.695 -12.695 664 1HD LYS 10 HD2 LYS 10 11.391 -14.610 -14.610 665 2HD LYS 10 HD1 LYS 10 12.261 -15.231 -15.231 666 1HE LYS 10 HE2 LYS 10 12.556 -12.333 -12.333 667 2HE LYS 10 HE1 LYS 10 13.426 -13.522 -13.522 668 1HZ LYS 10 HZ1 LYS 10 14.144 -14.461 -14.461 669 2HZ LYS 10 HZ3 LYS 10 13.664 -12.963 -12.963 670 3HZ LYS 10 HZ2 LYS 10 14.887 -13.033 -13.033 671 H THR 11 HN THR 11 8.057 -16.556 -16.556 672 HA THR 11 HA THR 11 6.171 -17.920 -17.920 673 HB THR 11 HB THR 11 4.491 -17.156 -17.156 674 HG1 THR 11 HG1 THR 11 3.873 -15.068 -15.068 675 1HG2 THR 11 HG23 THR 11 7.059 -16.891 -16.891 676 2HG2 THR 11 HG22 THR 11 6.582 -15.200 -15.200 677 3HG2 THR 11 HG21 THR 11 5.755 -16.435 -16.435 678 H TYR 12 HN TYR 12 3.731 -18.071 -18.071 679 HA TYR 12 HA TYR 12 2.625 -16.287 -16.287 680 1HB TYR 12 HB2 TYR 12 2.941 -17.707 -17.707 681 2HB TYR 12 HB1 TYR 12 4.459 -17.040 -17.040 682 HD1 TYR 12 HD1 TYR 12 6.056 -18.473 -18.473 683 HD2 TYR 12 HD2 TYR 12 2.488 -20.075 -20.075 684 HE1 TYR 12 HE1 TYR 12 6.974 -20.766 -20.766 685 HE2 TYR 12 HE2 TYR 12 3.403 -22.368 -22.368 686 HH TYR 12 HH TYR 12 5.989 -23.129 -23.129 687 H LYS 13 HN LYS 13 0.820 -17.541 -17.541 688 HA LYS 13 HA LYS 13 -0.381 -19.549 -19.549 689 1HB LYS 13 HB2 LYS 13 -2.590 -18.719 -18.719 690 2HB LYS 13 HB1 LYS 13 -1.914 -17.793 -17.793 691 1HG LYS 13 HG2 LYS 13 -2.479 -16.270 -16.270 692 2HG LYS 13 HG1 LYS 13 -0.726 -16.341 -16.341 693 1HD LYS 13 HD2 LYS 13 -0.564 -17.897 -17.897 694 2HD LYS 13 HD1 LYS 13 -2.321 -18.005 -18.005 695 1HE LYS 13 HE2 LYS 13 -2.044 -15.336 -15.336 696 2HE LYS 13 HE1 LYS 13 -0.504 -15.839 -15.839 697 1HZ LYS 13 HZ1 LYS 13 -3.015 -17.133 -17.133 698 2HZ LYS 13 HZ3 LYS 13 -2.553 -15.651 -15.651 699 3HZ LYS 13 HZ2 LYS 13 -1.544 -17.007 -17.007 700 H ARG 14 HN ARG 14 -2.261 -20.770 -20.770 701 HA ARG 14 HA ARG 14 -0.881 -22.465 -22.465 702 1HB ARG 14 HB2 ARG 14 -3.748 -22.064 -22.064 703 2HB ARG 14 HB1 ARG 14 -3.394 -23.023 -23.023 704 1HG ARG 14 HG2 ARG 14 -3.214 -24.729 -24.729 705 2HG ARG 14 HG1 ARG 14 -1.589 -24.082 -24.082 706 1HD ARG 14 HD2 ARG 14 -2.309 -24.102 -24.102 707 2HD ARG 14 HD1 ARG 14 -2.838 -22.487 -22.487 708 HE ARG 14 HE ARG 14 -4.633 -24.868 -24.868 709 1HH1 ARG 14 HH11 ARG 14 -5.976 -23.126 -23.126 710 2HH1 ARG 14 HH12 ARG 14 -6.762 -21.957 -21.957 711 1HH2 ARG 14 HH21 ARG 14 -4.807 -22.648 -22.648 712 2HH2 ARG 14 HH22 ARG 14 -6.100 -21.686 -21.686 713 H GLU 15 HN GLU 15 -1.835 -22.812 -22.812 714 HA GLU 15 HA GLU 15 -2.016 -21.957 -21.957 715 1HB GLU 15 HB2 GLU 15 -3.653 -20.087 -20.087 716 2HB GLU 15 HB1 GLU 15 -3.296 -19.618 -19.618 717 1HG GLU 15 HG2 GLU 15 -4.398 -21.497 -21.497 718 2HG GLU 15 HG1 GLU 15 -4.341 -22.373 -22.373 Start of MODEL 6 1 1H GLY -8 HT1 GLY -8 15.497 -5.011 -5.011 2 2H GLY -8 HT3 GLY -8 16.071 -3.592 -3.592 3 3H GLY -8 HT2 GLY -8 14.489 -4.128 -4.128 4 1HA GLY -8 HA1 GLY -8 13.948 -2.851 -2.851 5 2HA GLY -8 HA2 GLY -8 15.575 -2.391 -2.391 6 H SER -7 HN SER -7 13.209 -5.226 -5.226 7 HA SER -7 HA SER -7 12.808 -5.299 -5.299 8 1HB SER -7 HB2 SER -7 13.838 -7.317 -7.317 9 2HB SER -7 HB1 SER -7 12.298 -7.543 -7.543 10 HG SER -7 HG SER -7 13.020 -8.091 -8.091 11 H ARG -6 HN ARG -6 11.263 -3.416 -3.416 12 HA ARG -6 HA ARG -6 8.576 -4.333 -4.333 13 1HB ARG -6 HB2 ARG -6 9.315 -5.042 -5.042 14 2HB ARG -6 HB1 ARG -6 8.802 -3.387 -3.387 15 1HG ARG -6 HG2 ARG -6 6.835 -4.685 -4.685 16 2HG ARG -6 HG1 ARG -6 6.673 -3.966 -3.966 17 1HD ARG -6 HD2 ARG -6 7.106 -5.972 -5.972 18 2HD ARG -6 HD1 ARG -6 8.012 -6.636 -6.636 19 HE ARG -6 HE ARG -6 5.875 -7.084 -7.084 20 1HH1 ARG -6 HH11 ARG -6 3.584 -6.090 -6.090 21 2HH1 ARG -6 HH12 ARG -6 2.912 -6.587 -6.587 22 1HH2 ARG -6 HH21 ARG -6 5.942 -7.682 -7.682 23 2HH2 ARG -6 HH22 ARG -6 4.247 -7.489 -7.489 24 H ARG -5 HN ARG -5 7.900 -2.563 -2.563 25 HA ARG -5 HA ARG -5 8.444 0.125 0.125 26 1HB ARG -5 HB2 ARG -5 8.974 -0.906 -0.906 27 2HB ARG -5 HB1 ARG -5 7.938 0.520 0.520 28 1HG ARG -5 HG2 ARG -5 10.528 0.383 0.383 29 2HG ARG -5 HG1 ARG -5 10.403 1.046 1.046 30 1HD ARG -5 HD2 ARG -5 8.423 2.445 2.445 31 2HD ARG -5 HD1 ARG -5 9.347 2.136 2.136 32 HE ARG -5 HE ARG -5 11.056 3.562 3.562 33 1HH1 ARG -5 HH21 ARG -5 11.739 2.721 2.721 34 2HH1 ARG -5 HH22 ARG -5 11.014 3.880 3.880 35 1HH2 ARG -5 HH11 ARG -5 8.814 5.093 5.093 36 2HH2 ARG -5 HH12 ARG -5 9.359 5.224 5.224 37 H ALA -4 HN ALA -4 6.598 1.120 1.120 38 HA ALA -4 HA ALA -4 4.325 1.690 1.690 39 1HB ALA -4 HB1 ALA -4 4.795 1.175 1.175 40 2HB ALA -4 HB3 ALA -4 3.111 1.165 1.165 41 3HB ALA -4 HB2 ALA -4 4.110 2.594 2.594 42 H SER -3 HN SER -3 2.008 0.593 0.593 43 HA SER -3 HA SER -3 2.026 -2.312 -2.312 44 1HB SER -3 HB2 SER -3 2.671 -2.170 -2.170 45 2HB SER -3 HB1 SER -3 1.499 -0.895 -0.895 46 HG SER -3 HG SER -3 0.502 -2.708 -2.708 47 H VAL -2 HN VAL -2 -0.287 -3.146 -3.146 48 HA VAL -2 HA VAL -2 -2.109 -1.629 -1.629 49 HB VAL -2 HB VAL -2 -2.836 -3.829 -3.829 50 1HG1 VAL -2 HG13 VAL -2 -4.656 -2.468 -2.468 51 2HG1 VAL -2 HG12 VAL -2 -4.062 -3.104 -3.104 52 3HG1 VAL -2 HG11 VAL -2 -4.710 -4.202 -4.202 53 1HG2 VAL -2 HG23 VAL -2 -1.484 -3.889 -3.889 54 2HG2 VAL -2 HG22 VAL -2 -1.158 -4.867 -4.867 55 3HG2 VAL -2 HG21 VAL -2 -2.581 -5.197 -5.197 56 H GLY -1 HN GLY -1 -1.989 -2.190 -2.190 57 1HA GLY -1 HA2 GLY -1 -2.874 0.422 0.422 58 2HA GLY -1 HA1 GLY -1 -4.277 -0.646 -0.646 59 H SER 0 HN SER 0 -4.711 -1.183 -1.183 60 HA SER 0 HA SER 0 -2.449 -2.198 -2.198 61 1HB SER 0 HB2 SER 0 -4.107 -1.198 -1.198 62 2HB SER 0 HB1 SER 0 -2.764 -0.281 -0.281 63 HG SER 0 HG SER 0 -5.521 -0.162 -0.162 64 H MET 1 HN MET 1 -3.416 -3.436 -3.436 65 HA MET 1 HA MET 1 -5.738 -5.056 -5.056 66 1HB MET 1 HB2 MET 1 -3.158 -5.811 -5.811 67 2HB MET 1 HB1 MET 1 -4.596 -6.746 -6.746 68 1HG MET 1 HG2 MET 1 -4.924 -7.486 -7.486 69 2HG MET 1 HG1 MET 1 -3.995 -6.162 -6.162 70 1HE MET 1 HE3 MET 1 -4.165 -9.007 -9.007 71 2HE MET 1 HE2 MET 1 -2.624 -8.790 -8.790 72 3HE MET 1 HE1 MET 1 -2.796 -10.062 -10.062 73 H GLU 2 HN GLU 2 -6.445 -6.385 -6.385 74 HA GLU 2 HA GLU 2 -6.910 -4.226 -4.226 75 1HB GLU 2 HB2 GLU 2 -8.796 -5.591 -5.591 76 2HB GLU 2 HB1 GLU 2 -8.943 -6.282 -6.282 77 1HG GLU 2 HG2 GLU 2 -9.529 -4.236 -4.236 78 2HG GLU 2 HG1 GLU 2 -8.817 -3.301 -3.301 79 H ALA 3 HN ALA 3 -7.635 -5.369 -5.369 80 HA ALA 3 HA ALA 3 -6.513 -8.025 -8.025 81 1HB ALA 3 HB3 ALA 3 -5.382 -5.619 -5.619 82 2HB ALA 3 HB2 ALA 3 -5.039 -7.288 -7.288 83 3HB ALA 3 HB1 ALA 3 -4.561 -6.681 -6.681 84 H ILE 4 HN ILE 4 -8.078 -8.964 -8.964 85 HA ILE 4 HA ILE 4 -10.200 -7.729 -7.729 86 HB ILE 4 HB ILE 4 -10.457 -9.874 -9.874 87 1HG1 ILE 4 HG12 ILE 4 -10.597 -10.897 -10.897 88 2HG1 ILE 4 HG11 ILE 4 -11.249 -9.263 -9.263 89 1HG2 ILE 4 HG21 ILE 4 -7.973 -10.425 -10.425 90 2HG2 ILE 4 HG23 ILE 4 -9.160 -11.716 -11.716 91 3HG2 ILE 4 HG22 ILE 4 -8.660 -11.198 -11.198 92 1HD1 ILE 4 HD12 ILE 4 -11.979 -11.498 -11.498 93 2HD1 ILE 4 HD11 ILE 4 -12.905 -11.094 -11.094 94 3HD1 ILE 4 HD13 ILE 4 -12.746 -9.917 -9.917 95 H ALA 5 HN ALA 5 -10.218 -6.743 -6.743 96 HA ALA 5 HA ALA 5 -8.157 -7.112 -7.112 97 1HB ALA 5 HB3 ALA 5 -10.845 -5.694 -5.694 98 2HB ALA 5 HB2 ALA 5 -9.756 -5.737 -5.737 99 3HB ALA 5 HB1 ALA 5 -9.247 -4.950 -4.950 100 H LYS 6 HN LYS 6 -8.180 -9.164 -9.164 101 HA LYS 6 HA LYS 6 -10.457 -10.846 -10.846 102 1HB LYS 6 HB2 LYS 6 -7.903 -10.913 -10.913 103 2HB LYS 6 HB1 LYS 6 -9.047 -12.240 -12.240 104 1HG LYS 6 HG2 LYS 6 -8.474 -12.584 -12.584 105 2HG LYS 6 HG1 LYS 6 -7.852 -10.947 -10.947 106 1HD LYS 6 HD2 LYS 6 -5.980 -12.487 -12.487 107 2HD LYS 6 HD1 LYS 6 -5.978 -11.521 -11.521 108 1HE LYS 6 HE2 LYS 6 -5.797 -13.563 -13.563 109 2HE LYS 6 HE1 LYS 6 -7.544 -13.606 -13.606 110 1HZ LYS 6 HZ3 LYS 6 -5.611 -14.617 -14.617 111 2HZ LYS 6 HZ2 LYS 6 -6.307 -15.603 -15.603 112 3HZ LYS 6 HZ1 LYS 6 -7.290 -14.853 -14.853 113 H TYR 7 HN TYR 7 -9.186 -8.335 -8.335 114 HA TYR 7 HA TYR 7 -11.514 -8.727 -8.727 115 1HB TYR 7 HB2 TYR 7 -8.754 -8.357 -8.357 116 2HB TYR 7 HB1 TYR 7 -10.234 -8.836 -8.836 117 HD1 TYR 7 HD2 TYR 7 -11.316 -11.092 -11.092 118 HD2 TYR 7 HD1 TYR 7 -7.254 -9.974 -9.974 119 HE1 TYR 7 HE2 TYR 7 -10.735 -13.476 -13.476 120 HE2 TYR 7 HE1 TYR 7 -6.665 -12.344 -12.344 121 HH TYR 7 HH TYR 7 -8.791 -14.687 -14.687 122 H ASP 8 HN ASP 8 -11.085 -6.941 -6.941 123 HA ASP 8 HA ASP 8 -11.116 -4.426 -4.426 124 1HB ASP 8 HB2 ASP 8 -12.235 -3.519 -3.519 125 2HB ASP 8 HB1 ASP 8 -12.910 -5.125 -5.125 126 H PHE 9 HN PHE 9 -10.039 -2.511 -2.511 127 HA PHE 9 HA PHE 9 -7.945 -2.646 -2.646 128 1HB PHE 9 HB2 PHE 9 -7.215 -4.002 -4.002 129 2HB PHE 9 HB1 PHE 9 -6.449 -2.423 -2.423 130 HD1 PHE 9 HD2 PHE 9 -7.175 -4.577 -4.577 131 HD2 PHE 9 HD1 PHE 9 -4.196 -2.602 -2.602 132 HE1 PHE 9 HE2 PHE 9 -5.420 -5.271 -5.271 133 HE2 PHE 9 HE1 PHE 9 -2.443 -3.294 -3.294 134 HZ PHE 9 HZ PHE 9 -3.056 -4.627 -4.627 135 H LYS 10 HN LYS 10 -6.328 -0.709 -0.709 136 HA LYS 10 HA LYS 10 -7.625 1.453 1.453 137 1HB LYS 10 HB2 LYS 10 -7.674 1.246 1.246 138 2HB LYS 10 HB1 LYS 10 -6.830 2.707 2.707 139 1HG LYS 10 HG2 LYS 10 -8.891 2.954 2.954 140 2HG LYS 10 HG1 LYS 10 -9.685 1.913 1.913 141 1HD LYS 10 HD2 LYS 10 -8.242 4.493 4.493 142 2HD LYS 10 HD1 LYS 10 -9.990 4.342 4.342 143 1HE LYS 10 HE2 LYS 10 -9.866 2.495 2.495 144 2HE LYS 10 HE1 LYS 10 -8.218 3.044 3.044 145 1HZ LYS 10 HZ3 LYS 10 -10.403 5.007 5.007 146 2HZ LYS 10 HZ2 LYS 10 -10.197 4.035 4.035 147 3HZ LYS 10 HZ1 LYS 10 -8.937 5.048 5.048 148 H ALA 11 HN ALA 11 -6.247 3.293 3.293 149 HA ALA 11 HA ALA 11 -3.594 2.483 2.483 150 1HB ALA 11 HB2 ALA 11 -4.983 4.375 4.375 151 2HB ALA 11 HB1 ALA 11 -4.416 5.356 5.356 152 3HB ALA 11 HB3 ALA 11 -3.252 4.650 4.650 153 H THR 12 HN THR 12 -1.874 2.418 2.418 154 HA THR 12 HA THR 12 -2.162 3.736 3.736 155 HB THR 12 HB THR 12 -0.343 2.217 2.217 156 HG1 THR 12 HG1 THR 12 0.340 0.634 0.634 157 1HG2 THR 12 HG23 THR 12 -2.904 1.275 1.275 158 2HG2 THR 12 HG22 THR 12 -1.720 0.025 0.025 159 3HG2 THR 12 HG21 THR 12 -2.292 1.116 1.116 160 H ALA 13 HN ALA 13 -1.493 5.219 5.219 161 HA ALA 13 HA ALA 13 0.631 6.856 6.856 162 1HB ALA 13 HB2 ALA 13 1.431 4.633 4.633 163 2HB ALA 13 HB1 ALA 13 2.226 6.208 6.208 164 3HB ALA 13 HB3 ALA 13 2.305 5.288 5.288 165 H ASP 14 HN ASP 14 1.273 8.411 8.411 166 HA ASP 14 HA ASP 14 -0.960 9.366 9.366 167 1HB ASP 14 HB2 ASP 14 1.115 10.525 10.525 168 2HB ASP 14 HB1 ASP 14 1.872 10.159 10.159 169 H ASP 15 HN ASP 15 1.757 7.309 7.309 170 HA ASP 15 HA ASP 15 1.089 7.373 7.373 171 1HB ASP 15 HB2 ASP 15 3.263 6.325 6.325 172 2HB ASP 15 HB1 ASP 15 3.430 7.751 7.751 173 H GLU 16 HN GLU 16 -0.515 5.901 5.901 174 HA GLU 16 HA GLU 16 -0.183 3.152 3.152 175 1HB GLU 16 HB2 GLU 16 0.196 3.579 3.579 176 2HB GLU 16 HB1 GLU 16 -1.553 3.768 3.768 177 1HG GLU 16 HG2 GLU 16 -1.957 1.565 1.565 178 2HG GLU 16 HG1 GLU 16 -0.547 1.406 1.406 179 H LEU 17 HN LEU 17 -2.380 1.933 1.933 180 HA LEU 17 HA LEU 17 -4.546 3.820 3.820 181 1HB LEU 17 HB2 LEU 17 -3.511 2.717 2.717 182 2HB LEU 17 HB1 LEU 17 -3.864 1.150 1.150 183 HG LEU 17 HG LEU 17 -6.321 1.847 1.847 184 1HD1 LEU 17 HD12 LEU 17 -5.033 4.188 4.188 185 2HD1 LEU 17 HD11 LEU 17 -6.504 3.603 3.603 186 3HD1 LEU 17 HD13 LEU 17 -6.535 4.092 4.092 187 1HD2 LEU 17 HD21 LEU 17 -4.612 1.190 1.190 188 2HD2 LEU 17 HD23 LEU 17 -5.974 0.301 0.301 189 3HD2 LEU 17 HD22 LEU 17 -6.266 1.698 1.698 190 H SER 18 HN SER 18 -6.520 3.500 3.500 191 HA SER 18 HA SER 18 -6.878 1.368 1.368 192 1HB SER 18 HB2 SER 18 -8.548 2.740 2.740 193 2HB SER 18 HB1 SER 18 -7.419 3.892 3.892 194 HG SER 18 HG SER 18 -8.710 3.820 3.820 195 H PHE 19 HN PHE 19 -9.128 0.301 0.301 196 HA PHE 19 HA PHE 19 -10.789 0.189 0.189 197 1HB PHE 19 HB2 PHE 19 -10.096 -1.991 -1.991 198 2HB PHE 19 HB1 PHE 19 -8.856 -0.756 -0.756 199 HD1 PHE 19 HD1 PHE 19 -9.875 -3.658 -3.658 200 HD2 PHE 19 HD2 PHE 19 -6.683 -1.022 -1.022 201 HE1 PHE 19 HE1 PHE 19 -8.245 -5.109 -5.109 202 HE2 PHE 19 HE2 PHE 19 -5.057 -2.470 -2.470 203 HZ PHE 19 HZ PHE 19 -5.838 -4.514 -4.514 204 H LYS 20 HN LYS 20 -12.212 -1.839 -1.839 205 HA LYS 20 HA LYS 20 -12.393 -2.826 -2.826 206 1HB LYS 20 HB2 LYS 20 -14.635 -2.389 -2.389 207 2HB LYS 20 HB1 LYS 20 -14.810 -2.918 -2.918 208 1HG LYS 20 HG2 LYS 20 -13.449 -0.341 -0.341 209 2HG LYS 20 HG1 LYS 20 -15.185 -0.436 -0.436 210 1HD LYS 20 HD2 LYS 20 -13.231 -1.527 -1.527 211 2HD LYS 20 HD1 LYS 20 -13.660 0.184 0.184 212 1HE LYS 20 HE2 LYS 20 -15.779 -1.966 -1.966 213 2HE LYS 20 HE1 LYS 20 -15.069 -1.376 -1.376 214 1HZ LYS 20 HZ1 LYS 20 -15.641 0.919 0.919 215 2HZ LYS 20 HZ3 LYS 20 -16.620 0.138 0.138 216 3HZ LYS 20 HZ2 LYS 20 -16.940 -0.047 -0.047 217 H ARG 21 HN ARG 21 -13.904 -4.877 -4.877 218 HA ARG 21 HA ARG 21 -12.506 -6.889 -6.889 219 1HB ARG 21 HB2 ARG 21 -13.469 -7.210 -7.210 220 2HB ARG 21 HB1 ARG 21 -15.081 -7.100 -7.100 221 1HG ARG 21 HG2 ARG 21 -14.797 -9.092 -9.092 222 2HG ARG 21 HG1 ARG 21 -13.045 -9.073 -9.073 223 1HD ARG 21 HD2 ARG 21 -13.161 -9.838 -9.838 224 2HD ARG 21 HD1 ARG 21 -14.742 -9.108 -9.108 225 HE ARG 21 HE ARG 21 -14.263 -11.711 -11.711 226 1HH1 ARG 21 HH21 ARG 21 -16.579 -9.471 -9.471 227 2HH1 ARG 21 HH22 ARG 21 -17.899 -10.362 -10.362 228 1HH2 ARG 21 HH11 ARG 21 -15.878 -12.794 -12.794 229 2HH2 ARG 21 HH12 ARG 21 -17.503 -12.242 -12.242 230 H GLY 22 HN GLY 22 -12.870 -6.969 -6.969 231 1HA GLY 22 HA2 GLY 22 -14.393 -7.862 -7.862 232 2HA GLY 22 HA1 GLY 22 -15.719 -7.042 -7.042 233 H ASP 23 HN ASP 23 -13.068 -4.972 -4.972 234 HA ASP 23 HA ASP 23 -14.132 -3.476 -3.476 235 1HB ASP 23 HB2 ASP 23 -13.032 -2.847 -2.847 236 2HB ASP 23 HB1 ASP 23 -12.141 -2.019 -2.019 237 H ILE 24 HN ILE 24 -13.112 -4.470 -4.470 238 HA ILE 24 HA ILE 24 -10.320 -5.221 -5.221 239 HB ILE 24 HB ILE 24 -11.891 -4.776 -4.776 240 1HG1 ILE 24 HG12 ILE 24 -12.059 -7.023 -7.023 241 2HG1 ILE 24 HG11 ILE 24 -13.387 -6.101 -6.101 242 1HG2 ILE 24 HG21 ILE 24 -9.298 -5.477 -5.477 243 2HG2 ILE 24 HG23 ILE 24 -10.048 -7.068 -7.068 244 3HG2 ILE 24 HG22 ILE 24 -10.219 -6.035 -6.035 245 1HD1 ILE 24 HD12 ILE 24 -12.188 -7.222 -7.222 246 2HD1 ILE 24 HD11 ILE 24 -12.044 -8.491 -8.491 247 3HD1 ILE 24 HD13 ILE 24 -13.629 -7.840 -7.840 248 H LEU 25 HN LEU 25 -8.559 -4.085 -4.085 249 HA LEU 25 HA LEU 25 -8.914 -1.195 -1.195 250 1HB LEU 25 HB2 LEU 25 -6.133 -2.106 -2.106 251 2HB LEU 25 HB1 LEU 25 -6.991 -0.879 -0.879 252 HG LEU 25 HG LEU 25 -6.930 -3.880 -3.880 253 1HD1 LEU 25 HD13 LEU 25 -5.144 -2.041 -2.041 254 2HD1 LEU 25 HD12 LEU 25 -6.315 -1.808 -1.808 255 3HD1 LEU 25 HD11 LEU 25 -5.587 -3.394 -3.394 256 1HD2 LEU 25 HD23 LEU 25 -9.126 -2.200 -2.200 257 2HD2 LEU 25 HD22 LEU 25 -8.805 -3.768 -3.768 258 3HD2 LEU 25 HD21 LEU 25 -8.273 -2.279 -2.279 259 H LYS 26 HN LYS 26 -7.184 -0.159 -0.159 260 HA LYS 26 HA LYS 26 -7.073 -1.844 -1.844 261 1HB LYS 26 HB2 LYS 26 -8.294 0.471 0.471 262 2HB LYS 26 HB1 LYS 26 -6.663 1.136 1.136 263 1HG LYS 26 HG2 LYS 26 -7.250 0.996 0.996 264 2HG LYS 26 HG1 LYS 26 -6.374 -0.514 -0.514 265 1HD LYS 26 HD2 LYS 26 -8.299 -1.806 -1.806 266 2HD LYS 26 HD1 LYS 26 -9.326 -0.481 -0.481 267 1HE LYS 26 HE2 LYS 26 -9.265 0.580 0.580 268 2HE LYS 26 HE1 LYS 26 -7.971 -0.480 -0.480 269 1HZ LYS 26 HZ2 LYS 26 -10.633 -1.488 -1.488 270 2HZ LYS 26 HZ1 LYS 26 -10.267 -1.056 -1.056 271 3HZ LYS 26 HZ3 LYS 26 -9.419 -2.316 -2.316 272 H VAL 27 HN VAL 27 -5.068 -2.888 -2.888 273 HA VAL 27 HA VAL 27 -2.735 -1.692 -1.692 274 HB VAL 27 HB VAL 27 -2.848 -3.920 -3.920 275 1HG1 VAL 27 HG11 VAL 27 -0.628 -2.622 -2.622 276 2HG1 VAL 27 HG13 VAL 27 -0.798 -3.751 -3.751 277 3HG1 VAL 27 HG12 VAL 27 -0.641 -4.359 -4.359 278 1HG2 VAL 27 HG23 VAL 27 -3.009 -3.945 -3.945 279 2HG2 VAL 27 HG22 VAL 27 -4.274 -4.452 -4.452 280 3HG2 VAL 27 HG21 VAL 27 -2.783 -5.384 -5.384 281 H LEU 28 HN LEU 28 -1.904 0.144 0.144 282 HA LEU 28 HA LEU 28 -1.857 0.753 0.753 283 1HB LEU 28 HB2 LEU 28 -0.343 2.440 2.440 284 2HB LEU 28 HB1 LEU 28 -1.284 2.938 2.938 285 HG LEU 28 HG LEU 28 -3.104 1.769 1.769 286 1HD1 LEU 28 HD11 LEU 28 -1.148 3.756 3.756 287 2HD1 LEU 28 HD13 LEU 28 -2.734 3.435 3.435 288 3HD1 LEU 28 HD12 LEU 28 -1.535 2.146 2.146 289 1HD2 LEU 28 HD22 LEU 28 -3.013 3.913 3.913 290 2HD2 LEU 28 HD21 LEU 28 -4.314 3.607 3.607 291 3HD2 LEU 28 HD23 LEU 28 -3.006 4.712 4.712 292 H ASN 29 HN ASN 29 0.236 -0.388 -0.388 293 HA ASN 29 HA ASN 29 2.240 -1.249 -1.249 294 1HB ASN 29 HB2 ASN 29 2.508 1.381 1.381 295 2HB ASN 29 HB1 ASN 29 3.531 0.569 0.569 296 1HD2 ASN 29 HD22 ASN 29 5.465 1.262 1.262 297 2HD2 ASN 29 HD21 ASN 29 4.508 2.257 2.257 298 H GLU 30 HN GLU 30 4.396 -1.724 -1.724 299 HA GLU 30 HA GLU 30 3.444 -2.916 -2.916 300 1HB GLU 30 HB2 GLU 30 4.812 -4.424 -4.424 301 2HB GLU 30 HB1 GLU 30 4.693 -5.039 -5.039 302 1HG GLU 30 HG2 GLU 30 2.313 -5.130 -5.130 303 2HG GLU 30 HG1 GLU 30 2.262 -4.154 -4.154 304 H GLU 31 HN GLU 31 4.800 -0.809 -0.809 305 HA GLU 31 HA GLU 31 7.726 -1.332 -1.332 306 1HB GLU 31 HB2 GLU 31 6.127 1.137 1.137 307 2HB GLU 31 HB1 GLU 31 7.889 1.041 1.041 308 1HG GLU 31 HG2 GLU 31 7.655 0.233 0.233 309 2HG GLU 31 HG1 GLU 31 6.024 0.899 0.899 310 H CYS 32 HN CYS 32 8.733 -0.223 -0.223 311 HA CYS 32 HA CYS 32 9.073 -0.463 -0.463 312 1HB CYS 32 HB2 CYS 32 6.411 0.211 0.211 313 2HB CYS 32 HB1 CYS 32 6.318 -1.329 -1.329 314 HG CYS 32 HG CYS 32 7.855 -0.320 -0.320 315 H ASP 33 HN ASP 33 8.116 -2.249 -2.249 316 HA ASP 33 HA ASP 33 9.496 -4.567 -4.567 317 1HB ASP 33 HB2 ASP 33 7.973 -3.661 -3.661 318 2HB ASP 33 HB1 ASP 33 6.858 -4.841 -4.841 319 H GLN 34 HN GLN 34 8.746 -6.823 -6.823 320 HA GLN 34 HA GLN 34 7.091 -6.928 -6.928 321 1HB GLN 34 HB2 GLN 34 9.373 -8.158 -8.158 322 2HB GLN 34 HB1 GLN 34 8.387 -9.339 -9.339 323 1HG GLN 34 HG2 GLN 34 7.152 -9.903 -9.903 324 2HG GLN 34 HG1 GLN 34 7.562 -8.398 -8.398 325 1HE2 GLN 34 HE22 GLN 34 9.972 -10.295 -10.295 326 2HE2 GLN 34 HE21 GLN 34 8.525 -9.413 -9.413 327 H ASN 35 HN ASN 35 6.098 -6.591 -6.591 328 HA ASN 35 HA ASN 35 4.240 -8.886 -8.886 329 1HB ASN 35 HB2 ASN 35 5.198 -7.142 -7.142 330 2HB ASN 35 HB1 ASN 35 3.920 -8.351 -8.351 331 1HD2 ASN 35 HD22 ASN 35 7.441 -9.734 -9.734 332 2HD2 ASN 35 HD21 ASN 35 6.750 -8.247 -8.247 333 H TRP 36 HN TRP 36 4.519 -5.447 -5.447 334 HA TRP 36 HA TRP 36 1.541 -5.292 -5.292 335 1HB TRP 36 HB2 TRP 36 3.406 -2.965 -2.965 336 2HB TRP 36 HB1 TRP 36 1.644 -2.967 -2.967 337 HD1 TRP 36 HD1 TRP 36 4.375 -5.324 -5.324 338 HE1 TRP 36 HE1 TRP 36 3.971 -5.463 -5.463 339 HE3 TRP 36 HE3 TRP 36 0.293 -2.199 -2.199 340 HZ2 TRP 36 HZ2 TRP 36 2.244 -4.395 -4.395 341 HZ3 TRP 36 HZ3 TRP 36 -0.642 -1.777 -1.777 342 HH2 TRP 36 HH2 TRP 36 0.310 -2.877 -2.877 343 H TYR 37 HN TYR 37 0.598 -4.476 -4.476 344 HA TYR 37 HA TYR 37 2.329 -3.945 -3.945 345 1HB TYR 37 HB2 TYR 37 -0.686 -4.151 -4.151 346 2HB TYR 37 HB1 TYR 37 0.164 -3.944 -3.944 347 HD1 TYR 37 HD1 TYR 37 2.483 -5.829 -5.829 348 HD2 TYR 37 HD2 TYR 37 -1.710 -6.218 -6.218 349 HE1 TYR 37 HE1 TYR 37 2.656 -8.294 -8.294 350 HE2 TYR 37 HE2 TYR 37 -1.553 -8.671 -8.671 351 HH TYR 37 HH TYR 37 1.556 -10.291 -10.291 352 H LYS 38 HN LYS 38 0.963 -2.211 -2.211 353 HA LYS 38 HA LYS 38 0.473 0.238 0.238 354 1HB LYS 38 HB2 LYS 38 2.623 0.341 0.341 355 2HB LYS 38 HB1 LYS 38 1.643 0.154 0.154 356 1HG LYS 38 HG2 LYS 38 0.298 2.151 2.151 357 2HG LYS 38 HG1 LYS 38 1.963 2.489 2.489 358 1HD LYS 38 HD2 LYS 38 2.032 1.863 1.863 359 2HD LYS 38 HD1 LYS 38 0.662 2.953 2.953 360 1HE LYS 38 HE2 LYS 38 2.281 4.378 4.378 361 2HE LYS 38 HE1 LYS 38 3.563 3.426 3.426 362 1HZ LYS 38 HZ1 LYS 38 1.498 4.996 4.996 363 2HZ LYS 38 HZ3 LYS 38 3.115 5.458 5.458 364 3HZ LYS 38 HZ2 LYS 38 2.742 4.089 4.089 365 H ALA 39 HN ALA 39 -1.592 1.037 1.037 366 HA ALA 39 HA ALA 39 -2.925 0.535 0.535 367 1HB ALA 39 HB1 ALA 39 -3.160 -1.606 -1.606 368 2HB ALA 39 HB3 ALA 39 -3.988 -0.740 -0.740 369 3HB ALA 39 HB2 ALA 39 -4.713 -0.824 -0.824 370 H GLU 40 HN GLU 40 -5.417 0.975 0.975 371 HA GLU 40 HA GLU 40 -5.671 3.299 3.299 372 1HB GLU 40 HB2 GLU 40 -5.344 4.827 4.827 373 2HB GLU 40 HB1 GLU 40 -4.735 3.528 3.528 374 1HG GLU 40 HG2 GLU 40 -6.985 3.236 3.236 375 2HG GLU 40 HG1 GLU 40 -7.640 4.451 4.451 376 H LEU 41 HN LEU 41 -7.574 3.545 3.545 377 HA LEU 41 HA LEU 41 -9.792 1.928 1.928 378 1HB LEU 41 HB2 LEU 41 -9.093 2.850 2.850 379 2HB LEU 41 HB1 LEU 41 -10.812 2.692 2.692 380 HG LEU 41 HG LEU 41 -8.917 0.528 0.528 381 1HD1 LEU 41 HD12 LEU 41 -9.038 1.370 1.370 382 2HD1 LEU 41 HD11 LEU 41 -10.314 0.148 0.148 383 3HD1 LEU 41 HD13 LEU 41 -8.664 -0.279 -0.279 384 1HD2 LEU 41 HD21 LEU 41 -11.348 0.751 0.751 385 2HD2 LEU 41 HD23 LEU 41 -10.906 -0.787 -0.787 386 3HD2 LEU 41 HD22 LEU 41 -11.781 0.431 0.431 387 H ASN 42 HN ASN 42 -10.616 3.028 3.028 388 HA ASN 42 HA ASN 42 -11.758 4.741 4.741 389 1HB ASN 42 HB2 ASN 42 -12.967 4.260 4.260 390 2HB ASN 42 HB1 ASN 42 -13.566 5.644 5.644 391 1HD2 ASN 42 HD21 ASN 42 -14.872 5.216 5.216 392 2HD2 ASN 42 HD22 ASN 42 -15.292 3.648 3.648 393 H GLY 43 HN GLY 43 -9.366 5.821 5.821 394 1HA GLY 43 HA2 GLY 43 -9.243 8.436 8.436 395 2HA GLY 43 HA1 GLY 43 -10.341 8.505 8.505 396 H LYS 44 HN LYS 44 -9.050 6.408 6.408 397 HA LYS 44 HA LYS 44 -6.763 7.921 7.921 398 1HB LYS 44 HB2 LYS 44 -8.510 5.768 5.768 399 2HB LYS 44 HB1 LYS 44 -6.851 5.931 5.931 400 1HG LYS 44 HG2 LYS 44 -7.166 8.119 8.119 401 2HG LYS 44 HG1 LYS 44 -8.641 8.329 8.329 402 1HD LYS 44 HD2 LYS 44 -9.203 8.007 8.007 403 2HD LYS 44 HD1 LYS 44 -9.778 6.638 6.638 404 1HE LYS 44 HE2 LYS 44 -8.096 5.219 5.219 405 2HE LYS 44 HE1 LYS 44 -7.047 6.556 6.556 406 1HZ LYS 44 HZ3 LYS 44 -8.659 7.122 7.122 407 2HZ LYS 44 HZ2 LYS 44 -9.586 5.761 5.761 408 3HZ LYS 44 HZ1 LYS 44 -8.018 5.566 5.566 409 H ASP 45 HN ASP 45 -4.948 6.423 6.423 410 HA ASP 45 HA ASP 45 -4.496 4.071 4.071 411 1HB ASP 45 HB2 ASP 45 -3.403 4.786 4.786 412 2HB ASP 45 HB1 ASP 45 -4.331 6.238 6.238 413 H GLY 46 HN GLY 46 -1.938 3.655 3.655 414 1HA GLY 46 HA2 GLY 46 0.138 4.313 4.313 415 2HA GLY 46 HA1 GLY 46 -0.893 4.368 4.368 416 H PHE 47 HN PHE 47 0.848 2.817 2.817 417 HA PHE 47 HA PHE 47 1.073 0.210 0.210 418 1HB PHE 47 HB2 PHE 47 1.638 1.069 1.069 419 2HB PHE 47 HB1 PHE 47 2.272 -0.368 -0.368 420 HD1 PHE 47 HD1 PHE 47 3.144 0.426 0.426 421 HD2 PHE 47 HD2 PHE 47 3.299 2.681 2.681 422 HE1 PHE 47 HE1 PHE 47 5.019 1.770 1.770 423 HE2 PHE 47 HE2 PHE 47 5.175 4.023 4.023 424 HZ PHE 47 HZ PHE 47 6.034 3.569 3.569 425 H ILE 48 HN ILE 48 0.205 -1.817 -1.817 426 HA ILE 48 HA ILE 48 -2.021 -1.662 -1.662 427 HB ILE 48 HB ILE 48 -3.380 -3.134 -3.134 428 1HG1 ILE 48 HG12 ILE 48 -1.275 -2.288 -2.288 429 2HG1 ILE 48 HG11 ILE 48 -1.460 -3.917 -3.917 430 1HG2 ILE 48 HG22 ILE 48 -2.716 -0.284 -0.284 431 2HG2 ILE 48 HG21 ILE 48 -3.501 -1.045 -1.045 432 3HG2 ILE 48 HG23 ILE 48 -4.288 -1.050 -1.050 433 1HD1 ILE 48 HD12 ILE 48 -3.887 -3.797 -3.797 434 2HD1 ILE 48 HD11 ILE 48 -3.372 -2.386 -2.386 435 3HD1 ILE 48 HD13 ILE 48 -2.634 -3.958 -3.958 436 HA PRO 49 HA PRO 49 0.373 -5.250 -5.250 437 1HB PRO 49 HB2 PRO 49 -1.288 -6.198 -6.198 438 2HB PRO 49 HB1 PRO 49 -0.112 -4.889 -4.889 439 1HG PRO 49 HG2 PRO 49 -3.096 -4.714 -4.714 440 2HG PRO 49 HG1 PRO 49 -2.001 -3.631 -3.631 441 1HD PRO 49 HD2 PRO 49 -3.053 -3.085 -3.085 442 2HD PRO 49 HD1 PRO 49 -1.652 -2.302 -2.302 443 H LYS 50 HN LYS 50 0.281 -6.722 -6.722 444 HA LYS 50 HA LYS 50 -1.946 -7.794 -7.794 445 1HB LYS 50 HB2 LYS 50 0.393 -7.922 -7.922 446 2HB LYS 50 HB1 LYS 50 0.715 -9.085 -9.085 447 1HG LYS 50 HG2 LYS 50 -1.211 -10.447 -10.447 448 2HG LYS 50 HG1 LYS 50 -0.874 -9.432 -9.432 449 1HD LYS 50 HD2 LYS 50 1.076 -10.509 -10.509 450 2HD LYS 50 HD1 LYS 50 1.596 -10.403 -10.403 451 1HE LYS 50 HE2 LYS 50 -0.241 -12.290 -12.290 452 2HE LYS 50 HE1 LYS 50 0.028 -12.566 -12.566 453 1HZ LYS 50 HZ2 LYS 50 2.464 -12.623 -12.623 454 2HZ LYS 50 HZ1 LYS 50 2.010 -12.698 -12.698 455 3HZ LYS 50 HZ3 LYS 50 1.548 -13.934 -13.934 456 H ASN 51 HN ASN 51 -0.851 -8.724 -8.724 457 HA ASN 51 HA ASN 51 -1.823 -11.318 -11.318 458 1HB ASN 51 HB2 ASN 51 -1.065 -9.334 -9.334 459 2HB ASN 51 HB1 ASN 51 -2.030 -10.651 -10.651 460 1HD2 ASN 51 HD22 ASN 51 1.563 -11.687 -11.687 461 2HD2 ASN 51 HD21 ASN 51 0.622 -10.462 -10.462 462 H TYR 52 HN TYR 52 -3.400 -8.289 -8.289 463 HA TYR 52 HA TYR 52 -6.003 -9.558 -9.558 464 1HB TYR 52 HB2 TYR 52 -4.990 -6.719 -6.719 465 2HB TYR 52 HB1 TYR 52 -6.703 -7.062 -7.062 466 HD1 TYR 52 HD1 TYR 52 -3.774 -8.652 -8.652 467 HD2 TYR 52 HD2 TYR 52 -7.492 -6.587 -6.587 468 HE1 TYR 52 HE1 TYR 52 -3.685 -8.825 -8.825 469 HE2 TYR 52 HE2 TYR 52 -7.408 -6.747 -6.747 470 HH TYR 52 HH TYR 52 -4.602 -7.683 -7.683 471 H ILE 53 HN ILE 53 -4.557 -9.785 -9.785 472 HA ILE 53 HA ILE 53 -6.656 -8.870 -8.870 473 HB ILE 53 HB ILE 53 -4.027 -8.069 -8.069 474 1HG1 ILE 53 HG12 ILE 53 -5.521 -6.257 -6.257 475 2HG1 ILE 53 HG11 ILE 53 -4.114 -7.197 -7.197 476 1HG2 ILE 53 HG21 ILE 53 -6.850 -7.246 -7.246 477 2HG2 ILE 53 HG23 ILE 53 -5.618 -6.033 -6.033 478 3HG2 ILE 53 HG22 ILE 53 -5.633 -7.522 -7.522 479 1HD1 ILE 53 HD11 ILE 53 -3.183 -6.082 -6.082 480 2HD1 ILE 53 HD13 ILE 53 -4.296 -4.825 -4.825 481 3HD1 ILE 53 HD12 ILE 53 -2.983 -5.345 -5.345 482 H GLU 54 HN GLU 54 -6.110 -9.395 -9.395 483 HA GLU 54 HA GLU 54 -4.247 -11.502 -11.502 484 1HB GLU 54 HB2 GLU 54 -7.075 -11.990 -11.990 485 2HB GLU 54 HB1 GLU 54 -6.493 -12.438 -12.438 486 1HG GLU 54 HG2 GLU 54 -4.609 -13.686 -13.686 487 2HG GLU 54 HG1 GLU 54 -5.528 -13.455 -13.455 488 H MET 55 HN MET 55 -3.901 -11.756 -11.756 489 HA MET 55 HA MET 55 -4.433 -9.188 -9.188 490 1HB MET 55 HB2 MET 55 -2.121 -10.409 -10.409 491 2HB MET 55 HB1 MET 55 -2.684 -11.333 -11.333 492 1HG MET 55 HG2 MET 55 -3.239 -8.548 -8.548 493 2HG MET 55 HG1 MET 55 -1.561 -8.695 -8.695 494 1HE MET 55 HE3 MET 55 -0.334 -10.728 -10.728 495 2HE MET 55 HE2 MET 55 -1.054 -11.996 -11.996 496 3HE MET 55 HE1 MET 55 0.172 -10.940 -10.940 497 H LYS 56 HN LYS 56 -6.311 -9.175 -9.175 498 HA LYS 56 HA LYS 56 -7.013 -11.549 -11.549 499 1HB LYS 56 HB2 LYS 56 -8.484 -9.280 -9.280 500 2HB LYS 56 HB1 LYS 56 -9.088 -9.986 -9.986 501 1HG LYS 56 HG2 LYS 56 -8.682 -12.262 -12.262 502 2HG LYS 56 HG1 LYS 56 -8.743 -11.262 -11.262 503 1HD LYS 56 HD2 LYS 56 -10.910 -11.476 -11.476 504 2HD LYS 56 HD1 LYS 56 -10.980 -12.165 -12.165 505 1HE LYS 56 HE2 LYS 56 -11.863 -10.233 -10.233 506 2HE LYS 56 HE1 LYS 56 -10.365 -9.406 -9.406 507 1HZ LYS 56 HZ3 LYS 56 -11.604 -9.669 -9.669 508 2HZ LYS 56 HZ2 LYS 56 -12.914 -9.405 -9.405 509 3HZ LYS 56 HZ1 LYS 56 -11.646 -8.280 -8.280 510 HA PRO 57 HA PRO 57 -5.910 -9.797 -9.797 511 1HB PRO 57 HB2 PRO 57 -7.480 -11.214 -11.214 512 2HB PRO 57 HB1 PRO 57 -6.015 -11.850 -11.850 513 1HG PRO 57 HG2 PRO 57 -8.849 -12.384 -12.384 514 2HG PRO 57 HG1 PRO 57 -7.435 -13.387 -13.387 515 1HD PRO 57 HD2 PRO 57 -8.758 -11.858 -11.858 516 2HD PRO 57 HD1 PRO 57 -7.152 -12.604 -12.604 517 H HIS 58 HN HIS 58 -7.321 -9.318 -9.318 518 HA HIS 58 HA HIS 58 -9.857 -7.975 -7.975 519 1HB HIS 58 HB2 HIS 58 -7.314 -6.494 -6.494 520 2HB HIS 58 HB1 HIS 58 -8.476 -5.858 -5.858 521 HD1 HIS 58 HD1 HIS 58 -11.062 -6.547 -6.547 522 HD2 HIS 58 HD2 HIS 58 -7.699 -4.499 -4.499 523 HE1 HIS 58 HE1 HIS 58 -11.820 -5.163 -5.163 524 HA PRO 59 HA PRO 59 -10.195 -8.802 -8.802 525 1HB PRO 59 HB2 PRO 59 -12.065 -6.944 -6.944 526 2HB PRO 59 HB1 PRO 59 -12.462 -8.404 -8.404 527 1HG PRO 59 HG2 PRO 59 -12.308 -5.574 -5.574 528 2HG PRO 59 HG1 PRO 59 -13.263 -6.921 -6.921 529 1HD PRO 59 HD2 PRO 59 -10.843 -5.936 -5.936 530 2HD PRO 59 HD1 PRO 59 -11.629 -7.474 -7.474 531 H GLU 60 HN GLU 60 -9.684 -7.903 -7.903 532 HA GLU 60 HA GLU 60 -7.534 -6.014 -6.014 533 1HB GLU 60 HB2 GLU 60 -9.279 -6.924 -6.924 534 2HB GLU 60 HB1 GLU 60 -7.726 -6.100 -6.100 535 1HG GLU 60 HG2 GLU 60 -7.792 -8.541 -8.541 536 2HG GLU 60 HG1 GLU 60 -7.927 -8.779 -8.779 537 H PHE 61 HN PHE 61 -10.816 -5.653 -5.653 538 HA PHE 61 HA PHE 61 -10.749 -2.782 -2.782 539 1HB PHE 61 HB2 PHE 61 -10.905 -3.901 -3.901 540 2HB PHE 61 HB1 PHE 61 -11.979 -2.552 -2.552 541 HD1 PHE 61 HD2 PHE 61 -8.426 -3.646 -3.646 542 HD2 PHE 61 HD1 PHE 61 -11.143 -0.332 -0.332 543 HE1 PHE 61 HE2 PHE 61 -6.524 -2.068 -2.068 544 HE2 PHE 61 HE1 PHE 61 -9.242 1.246 1.246 545 HZ PHE 61 HZ PHE 61 -6.933 0.378 0.378 546 H ILE 62 HN ILE 62 -12.696 -2.107 -2.107 547 HA ILE 62 HA ILE 62 -14.913 -4.078 -4.078 548 HB ILE 62 HB ILE 62 -14.661 -1.452 -1.452 549 1HG1 ILE 62 HG12 ILE 62 -14.215 -4.211 -4.211 550 2HG1 ILE 62 HG11 ILE 62 -12.886 -3.301 -3.301 551 1HG2 ILE 62 HG21 ILE 62 -16.943 -2.681 -2.681 552 2HG2 ILE 62 HG23 ILE 62 -16.327 -3.827 -3.827 553 3HG2 ILE 62 HG22 ILE 62 -16.533 -2.129 -2.129 554 1HD1 ILE 62 HD13 ILE 62 -13.787 -1.360 -1.360 555 2HD1 ILE 62 HD12 ILE 62 -14.479 -2.698 -2.698 556 3HD1 ILE 62 HD11 ILE 62 -12.735 -2.609 -2.609 557 H VAL 63 HN VAL 63 -16.086 -3.879 -3.879 558 HA VAL 63 HA VAL 63 -16.914 -1.127 -1.127 559 HB VAL 63 HB VAL 63 -16.962 -3.690 -3.690 560 1HG1 VAL 63 HG12 VAL 63 -18.469 -1.502 -1.502 561 2HG1 VAL 63 HG11 VAL 63 -16.982 -0.965 -0.965 562 3HG1 VAL 63 HG13 VAL 63 -17.780 -2.442 -2.442 563 1HG2 VAL 63 HG21 VAL 63 -14.988 -1.385 -1.385 564 2HG2 VAL 63 HG23 VAL 63 -14.658 -3.063 -3.063 565 3HG2 VAL 63 HG22 VAL 63 -15.018 -2.636 -2.636 566 H THR 64 HN THR 64 -18.057 -4.360 -4.360 567 HA THR 64 HA THR 64 -20.813 -3.988 -3.988 568 HB THR 64 HB THR 64 -21.244 -5.895 -5.895 569 HG1 THR 64 HG1 THR 64 -20.088 -6.136 -6.136 570 1HG2 THR 64 HG23 THR 64 -19.791 -6.032 -6.032 571 2HG2 THR 64 HG22 THR 64 -18.510 -6.485 -6.485 572 3HG2 THR 64 HG21 THR 64 -19.982 -7.452 -7.452 573 H ASP 65 HN ASP 65 -22.555 -3.232 -3.232 574 HA ASP 65 HA ASP 65 -22.005 -1.138 -1.138 575 1HB ASP 65 HB2 ASP 65 -24.094 -1.452 -1.452 576 2HB ASP 65 HB1 ASP 65 -24.645 -2.590 -2.590 577 1H SER 1 HT3 SER 1 -11.586 -15.582 -15.582 578 2H SER 1 HT2 SER 1 -11.477 -16.579 -16.579 579 3H SER 1 HT1 SER 1 -12.995 -16.078 -16.078 580 HA SER 1 HA SER 1 -13.112 -17.642 -17.642 581 1HB SER 1 HB2 SER 1 -11.390 -18.569 -18.569 582 2HB SER 1 HB1 SER 1 -11.149 -19.485 -19.485 583 HG SER 1 HG SER 1 -13.230 -19.500 -19.500 584 HA PRO 2 HA PRO 2 -8.891 -17.887 -17.887 585 1HB PRO 2 HB2 PRO 2 -6.706 -16.657 -16.657 586 2HB PRO 2 HB1 PRO 2 -7.150 -18.343 -18.343 587 1HG PRO 2 HG2 PRO 2 -7.445 -15.953 -15.953 588 2HG PRO 2 HG1 PRO 2 -7.291 -17.662 -17.662 589 1HD PRO 2 HD2 PRO 2 -9.699 -16.160 -16.160 590 2HD PRO 2 HD1 PRO 2 -9.563 -17.923 -17.923 591 H LEU 3 HN LEU 3 -7.812 -16.353 -16.353 592 HA LEU 3 HA LEU 3 -9.257 -13.900 -13.900 593 1HB LEU 3 HB2 LEU 3 -8.170 -15.100 -15.100 594 2HB LEU 3 HB1 LEU 3 -6.587 -14.752 -14.752 595 HG LEU 3 HG LEU 3 -7.129 -12.301 -12.301 596 1HD1 LEU 3 HD13 LEU 3 -9.639 -13.477 -13.477 597 2HD1 LEU 3 HD12 LEU 3 -9.032 -12.021 -12.021 598 3HD1 LEU 3 HD11 LEU 3 -9.395 -12.002 -12.002 599 1HD2 LEU 3 HD21 LEU 3 -6.808 -14.158 -14.158 600 2HD2 LEU 3 HD23 LEU 3 -5.768 -12.839 -12.839 601 3HD2 LEU 3 HD22 LEU 3 -7.226 -12.491 -12.491 602 H LEU 4 HN LEU 4 -8.507 -11.720 -11.720 603 HA LEU 4 HA LEU 4 -6.062 -11.386 -11.386 604 1HB LEU 4 HB2 LEU 4 -8.858 -10.521 -10.521 605 2HB LEU 4 HB1 LEU 4 -7.450 -9.676 -9.676 606 HG LEU 4 HG LEU 4 -7.731 -12.678 -12.678 607 1HD1 LEU 4 HD11 LEU 4 -8.934 -10.507 -10.507 608 2HD1 LEU 4 HD13 LEU 4 -8.334 -11.961 -11.961 609 3HD1 LEU 4 HD12 LEU 4 -9.594 -12.086 -12.086 610 1HD2 LEU 4 HD21 LEU 4 -5.490 -11.633 -11.633 611 2HD2 LEU 4 HD23 LEU 4 -6.096 -12.390 -12.390 612 3HD2 LEU 4 HD22 LEU 4 -6.169 -10.638 -10.638 613 HA PRO 5 HA PRO 5 -6.360 -8.171 -8.171 614 1HB PRO 5 HB2 PRO 5 -3.827 -8.537 -8.537 615 2HB PRO 5 HB1 PRO 5 -5.241 -9.445 -9.445 616 1HG PRO 5 HG2 PRO 5 -2.988 -10.373 -10.373 617 2HG PRO 5 HG1 PRO 5 -4.077 -11.322 -11.322 618 1HD PRO 5 HD2 PRO 5 -4.241 -11.036 -11.036 619 2HD PRO 5 HD1 PRO 5 -5.445 -11.796 -11.796 620 H LYS 6 HN LYS 6 -3.143 -8.825 -8.825 621 HA LYS 6 HA LYS 6 -3.238 -6.196 -6.196 622 1HB LYS 6 HB2 LYS 6 -0.943 -7.086 -7.086 623 2HB LYS 6 HB1 LYS 6 -1.001 -5.601 -5.601 624 1HG LYS 6 HG2 LYS 6 -3.279 -5.259 -5.259 625 2HG LYS 6 HG1 LYS 6 -2.465 -6.303 -6.303 626 1HD LYS 6 HD2 LYS 6 -0.510 -4.778 -4.778 627 2HD LYS 6 HD1 LYS 6 -1.358 -3.720 -3.720 628 1HE LYS 6 HE2 LYS 6 -2.864 -4.436 -4.436 629 2HE LYS 6 HE1 LYS 6 -1.453 -3.406 -3.406 630 1HZ LYS 6 HZ1 LYS 6 -2.326 -1.948 -1.948 631 2HZ LYS 6 HZ3 LYS 6 -3.734 -2.893 -2.893 632 3HZ LYS 6 HZ2 LYS 6 -3.344 -2.034 -2.034 633 H LEU 7 HN LEU 7 -0.616 -6.230 -6.230 634 HA LEU 7 HA LEU 7 -0.811 -8.074 -8.074 635 1HB LEU 7 HB2 LEU 7 0.947 -5.981 -5.981 636 2HB LEU 7 HB1 LEU 7 1.947 -7.393 -7.393 637 HG LEU 7 HG LEU 7 1.594 -6.097 -6.097 638 1HD1 LEU 7 HD11 LEU 7 1.320 -8.790 -8.790 639 2HD1 LEU 7 HD13 LEU 7 -0.190 -8.375 -8.375 640 3HD1 LEU 7 HD12 LEU 7 1.355 -7.942 -7.942 641 1HD2 LEU 7 HD22 LEU 7 -0.930 -5.596 -5.596 642 2HD2 LEU 7 HD21 LEU 7 -0.412 -5.205 -5.205 643 3HD2 LEU 7 HD23 LEU 7 -1.265 -6.717 -6.717 644 HA PRO 8 HA PRO 8 0.608 -11.595 -11.595 645 1HB PRO 8 HB2 PRO 8 0.068 -13.536 -13.536 646 2HB PRO 8 HB1 PRO 8 -1.150 -12.857 -12.857 647 1HG PRO 8 HG2 PRO 8 -0.745 -12.329 -12.329 648 2HG PRO 8 HG1 PRO 8 -2.230 -12.231 -12.231 649 1HD PRO 8 HD2 PRO 8 -0.659 -10.031 -10.031 650 2HD PRO 8 HD1 PRO 8 -1.913 -9.999 -9.999 651 HA PRO 9 HA PRO 9 4.646 -11.913 -11.913 652 1HB PRO 9 HB2 PRO 9 5.814 -13.607 -13.607 653 2HB PRO 9 HB1 PRO 9 5.564 -11.878 -11.878 654 1HG PRO 9 HG2 PRO 9 4.086 -14.209 -14.209 655 2HG PRO 9 HG1 PRO 9 4.296 -12.582 -12.582 656 1HD PRO 9 HD2 PRO 9 1.979 -13.568 -13.568 657 2HD PRO 9 HD1 PRO 9 2.306 -11.877 -11.877 658 H LYS 10 HN LYS 10 6.244 -13.895 -13.895 659 HA LYS 10 HA LYS 10 6.566 -15.870 -15.870 660 1HB LYS 10 HB2 LYS 10 4.872 -16.493 -16.493 661 2HB LYS 10 HB1 LYS 10 4.378 -17.480 -17.480 662 1HG LYS 10 HG2 LYS 10 6.079 -18.760 -18.760 663 2HG LYS 10 HG1 LYS 10 6.906 -17.962 -17.962 664 1HD LYS 10 HD2 LYS 10 7.173 -16.088 -16.088 665 2HD LYS 10 HD1 LYS 10 7.246 -17.589 -17.589 666 1HE LYS 10 HE2 LYS 10 8.846 -18.070 -18.070 667 2HE LYS 10 HE1 LYS 10 9.245 -16.424 -16.424 668 1HZ LYS 10 HZ3 LYS 10 9.154 -18.727 -18.727 669 2HZ LYS 10 HZ2 LYS 10 10.574 -18.185 -18.185 670 3HZ LYS 10 HZ1 LYS 10 9.742 -17.168 -17.168 671 H THR 11 HN THR 11 4.714 -17.708 -17.708 672 HA THR 11 HA THR 11 3.455 -15.998 -15.998 673 HB THR 11 HB THR 11 3.014 -18.438 -18.438 674 HG1 THR 11 HG1 THR 11 3.814 -19.340 -19.340 675 1HG2 THR 11 HG23 THR 11 4.686 -16.500 -16.500 676 2HG2 THR 11 HG22 THR 11 5.887 -17.593 -17.593 677 3HG2 THR 11 HG21 THR 11 4.895 -18.117 -18.117 678 H TYR 12 HN TYR 12 1.910 -19.112 -19.112 679 HA TYR 12 HA TYR 12 -0.077 -18.351 -18.351 680 1HB TYR 12 HB2 TYR 12 -1.917 -18.315 -18.315 681 2HB TYR 12 HB1 TYR 12 -1.321 -16.881 -16.881 682 HD1 TYR 12 HD2 TYR 12 -0.017 -19.173 -19.173 683 HD2 TYR 12 HD1 TYR 12 -0.777 -15.143 -15.143 684 HE1 TYR 12 HE2 TYR 12 0.917 -18.327 -18.327 685 HE2 TYR 12 HE1 TYR 12 0.158 -14.296 -14.296 686 HH TYR 12 HH TYR 12 1.672 -15.027 -15.027 687 H LYS 13 HN LYS 13 -0.236 -20.422 -20.422 688 HA LYS 13 HA LYS 13 -1.137 -22.490 -22.490 689 1HB LYS 13 HB2 LYS 13 1.346 -22.547 -22.547 690 2HB LYS 13 HB1 LYS 13 0.452 -23.411 -23.411 691 1HG LYS 13 HG2 LYS 13 -0.033 -24.151 -24.151 692 2HG LYS 13 HG1 LYS 13 1.452 -24.709 -24.709 693 1HD LYS 13 HD2 LYS 13 0.247 -25.871 -25.871 694 2HD LYS 13 HD1 LYS 13 -1.270 -25.086 -25.086 695 1HE LYS 13 HE2 LYS 13 0.290 -27.010 -27.010 696 2HE LYS 13 HE1 LYS 13 -1.184 -27.400 -27.400 697 1HZ LYS 13 HZ1 LYS 13 -2.117 -25.366 -25.366 698 2HZ LYS 13 HZ3 LYS 13 -0.832 -25.654 -25.654 699 3HZ LYS 13 HZ2 LYS 13 -1.994 -26.864 -26.864 700 H ARG 14 HN ARG 14 -3.311 -22.034 -22.034 701 HA ARG 14 HA ARG 14 -3.904 -23.312 -23.312 702 1HB ARG 14 HB2 ARG 14 -4.920 -20.637 -20.637 703 2HB ARG 14 HB1 ARG 14 -5.695 -21.530 -21.530 704 1HG ARG 14 HG2 ARG 14 -4.055 -21.016 -21.016 705 2HG ARG 14 HG1 ARG 14 -2.773 -21.265 -21.265 706 1HD ARG 14 HD2 ARG 14 -3.010 -19.077 -19.077 707 2HD ARG 14 HD1 ARG 14 -4.583 -18.850 -18.850 708 HE ARG 14 HE ARG 14 -3.333 -18.809 -18.809 709 1HH1 ARG 14 HH21 ARG 14 -2.413 -17.057 -17.057 710 2HH1 ARG 14 HH22 ARG 14 -0.813 -16.687 -16.687 711 1HH2 ARG 14 HH11 ARG 14 -0.957 -18.858 -18.858 712 2HH2 ARG 14 HH12 ARG 14 0.010 -17.706 -17.706 713 H GLU 15 HN GLU 15 -4.107 -24.313 -24.313 714 HA GLU 15 HA GLU 15 -6.963 -25.068 -25.068 715 1HB GLU 15 HB2 GLU 15 -6.601 -22.976 -22.976 716 2HB GLU 15 HB1 GLU 15 -5.808 -24.095 -24.095 717 1HG GLU 15 HG2 GLU 15 -7.905 -25.550 -25.550 718 2HG GLU 15 HG1 GLU 15 -8.668 -24.161 -24.161 Start of MODEL 7 1 1H GLY -8 HT1 GLY -8 9.079 -9.359 -9.359 2 2H GLY -8 HT3 GLY -8 9.562 -8.484 -8.484 3 3H GLY -8 HT2 GLY -8 10.345 -9.937 -9.937 4 1HA GLY -8 HA1 GLY -8 11.137 -8.756 -8.756 5 2HA GLY -8 HA2 GLY -8 11.877 -8.076 -8.076 6 H SER -7 HN SER -7 8.560 -7.488 -7.488 7 HA SER -7 HA SER -7 8.866 -6.247 -6.247 8 1HB SER -7 HB2 SER -7 10.164 -4.731 -4.731 9 2HB SER -7 HB1 SER -7 8.538 -4.131 -4.131 10 HG SER -7 HG SER -7 9.648 -2.983 -2.983 11 H ARG -6 HN ARG -6 6.924 -4.467 -4.467 12 HA ARG -6 HA ARG -6 4.643 -4.899 -4.899 13 1HB ARG -6 HB2 ARG -6 3.236 -6.117 -6.117 14 2HB ARG -6 HB1 ARG -6 4.571 -7.092 -7.092 15 1HG ARG -6 HG2 ARG -6 5.844 -6.049 -6.049 16 2HG ARG -6 HG1 ARG -6 4.203 -5.875 -5.875 17 1HD ARG -6 HD2 ARG -6 4.056 -8.408 -8.408 18 2HD ARG -6 HD1 ARG -6 5.775 -8.341 -8.341 19 HE ARG -6 HE ARG -6 3.686 -7.636 -7.636 20 1HH1 ARG -6 HH11 ARG -6 6.886 -7.643 -7.643 21 2HH1 ARG -6 HH12 ARG -6 7.126 -8.975 -8.975 22 1HH2 ARG -6 HH21 ARG -6 3.835 -10.053 -10.053 23 2HH2 ARG -6 HH22 ARG -6 5.399 -10.339 -10.339 24 H ARG -5 HN ARG -5 4.923 -2.541 -2.541 25 HA ARG -5 HA ARG -5 4.503 -1.292 -1.292 26 1HB ARG -5 HB2 ARG -5 5.512 -0.398 -0.398 27 2HB ARG -5 HB1 ARG -5 3.869 0.232 0.232 28 1HG ARG -5 HG2 ARG -5 4.746 1.970 1.970 29 2HG ARG -5 HG1 ARG -5 4.425 0.899 0.899 30 1HD ARG -5 HD2 ARG -5 6.694 1.600 1.600 31 2HD ARG -5 HD1 ARG -5 6.772 -0.048 -0.048 32 HE ARG -5 HE ARG -5 7.490 0.832 0.832 33 1HH1 ARG -5 HH11 ARG -5 5.836 3.353 3.353 34 2HH1 ARG -5 HH12 ARG -5 7.053 4.572 4.572 35 1HH2 ARG -5 HH21 ARG -5 9.500 2.345 2.345 36 2HH2 ARG -5 HH22 ARG -5 9.128 4.001 4.001 37 H ALA -4 HN ALA -4 2.580 -0.607 -0.607 38 HA ALA -4 HA ALA -4 0.096 -0.827 -0.827 39 1HB ALA -4 HB3 ALA -4 0.641 -2.133 -2.133 40 2HB ALA -4 HB2 ALA -4 -0.997 -1.840 -1.840 41 3HB ALA -4 HB1 ALA -4 0.087 -2.897 -2.897 42 H SER -3 HN SER -3 1.810 1.414 1.414 43 HA SER -3 HA SER -3 1.453 3.477 3.477 44 1HB SER -3 HB2 SER -3 -1.390 2.686 2.686 45 2HB SER -3 HB1 SER -3 -0.970 4.256 4.256 46 HG SER -3 HG SER -3 0.223 4.704 4.704 47 H VAL -2 HN VAL -2 -1.621 2.257 2.257 48 HA VAL -2 HA VAL -2 -0.307 2.095 2.095 49 HB VAL -2 HB VAL -2 -3.129 3.046 3.046 50 1HG1 VAL -2 HG13 VAL -2 -1.407 2.916 2.916 51 2HG1 VAL -2 HG12 VAL -2 -2.875 3.890 3.890 52 3HG1 VAL -2 HG11 VAL -2 -2.966 2.137 2.137 53 1HG2 VAL -2 HG21 VAL -2 -1.228 4.549 4.549 54 2HG2 VAL -2 HG23 VAL -2 -2.350 5.287 5.287 55 3HG2 VAL -2 HG22 VAL -2 -0.767 4.735 4.735 56 H GLY -1 HN GLY -1 -1.534 0.661 0.661 57 1HA GLY -1 HA2 GLY -1 -3.616 -1.084 -1.084 58 2HA GLY -1 HA1 GLY -1 -2.116 -1.879 -1.879 59 H SER 0 HN SER 0 -4.029 -0.756 -0.756 60 HA SER 0 HA SER 0 -2.086 -1.971 -1.971 61 1HB SER 0 HB2 SER 0 -3.986 -0.962 -0.962 62 2HB SER 0 HB1 SER 0 -2.671 0.036 0.036 63 HG SER 0 HG SER 0 -4.220 1.171 1.171 64 H MET 1 HN MET 1 -3.262 -3.188 -3.188 65 HA MET 1 HA MET 1 -5.463 -4.838 -4.838 66 1HB MET 1 HB2 MET 1 -2.929 -5.664 -5.664 67 2HB MET 1 HB1 MET 1 -4.376 -6.617 -6.617 68 1HG MET 1 HG2 MET 1 -4.584 -7.355 -7.355 69 2HG MET 1 HG1 MET 1 -3.876 -5.890 -5.890 70 1HE MET 1 HE2 MET 1 -3.293 -7.955 -7.955 71 2HE MET 1 HE1 MET 1 -1.805 -7.050 -7.050 72 3HE MET 1 HE3 MET 1 -1.740 -8.779 -8.779 73 H GLU 2 HN GLU 2 -6.232 -6.302 -6.302 74 HA GLU 2 HA GLU 2 -6.901 -4.250 -4.250 75 1HB GLU 2 HB2 GLU 2 -8.477 -6.199 -6.199 76 2HB GLU 2 HB1 GLU 2 -8.908 -6.045 -6.045 77 1HG GLU 2 HG2 GLU 2 -8.656 -3.668 -3.668 78 2HG GLU 2 HG1 GLU 2 -10.167 -4.537 -4.537 79 H ALA 3 HN ALA 3 -7.496 -5.420 -5.420 80 HA ALA 3 HA ALA 3 -6.434 -8.109 -8.109 81 1HB ALA 3 HB2 ALA 3 -5.141 -5.682 -5.682 82 2HB ALA 3 HB1 ALA 3 -5.195 -7.130 -7.130 83 3HB ALA 3 HB3 ALA 3 -4.422 -7.191 -7.191 84 H ILE 4 HN ILE 4 -7.971 -9.103 -9.103 85 HA ILE 4 HA ILE 4 -10.140 -7.831 -7.831 86 HB ILE 4 HB ILE 4 -10.247 -10.116 -10.116 87 1HG1 ILE 4 HG12 ILE 4 -10.765 -10.681 -10.681 88 2HG1 ILE 4 HG11 ILE 4 -11.388 -9.110 -9.110 89 1HG2 ILE 4 HG23 ILE 4 -7.871 -10.565 -10.565 90 2HG2 ILE 4 HG22 ILE 4 -8.844 -11.152 -11.152 91 3HG2 ILE 4 HG21 ILE 4 -9.034 -11.865 -11.865 92 1HD1 ILE 4 HD12 ILE 4 -11.831 -11.480 -11.480 93 2HD1 ILE 4 HD11 ILE 4 -12.843 -11.252 -11.252 94 3HD1 ILE 4 HD13 ILE 4 -12.797 -10.016 -10.016 95 H ALA 5 HN ALA 5 -10.240 -6.814 -6.814 96 HA ALA 5 HA ALA 5 -8.100 -7.074 -7.074 97 1HB ALA 5 HB2 ALA 5 -10.719 -5.552 -5.552 98 2HB ALA 5 HB1 ALA 5 -9.828 -5.695 -5.695 99 3HB ALA 5 HB3 ALA 5 -9.078 -4.911 -4.911 100 H LYS 6 HN LYS 6 -8.178 -9.225 -9.225 101 HA LYS 6 HA LYS 6 -10.381 -10.876 -10.876 102 1HB LYS 6 HB2 LYS 6 -7.821 -10.832 -10.832 103 2HB LYS 6 HB1 LYS 6 -8.948 -12.180 -12.180 104 1HG LYS 6 HG2 LYS 6 -8.413 -12.575 -12.575 105 2HG LYS 6 HG1 LYS 6 -7.689 -10.985 -10.985 106 1HD LYS 6 HD2 LYS 6 -5.839 -12.443 -12.443 107 2HD LYS 6 HD1 LYS 6 -5.978 -11.731 -11.731 108 1HE LYS 6 HE2 LYS 6 -7.110 -13.693 -13.693 109 2HE LYS 6 HE1 LYS 6 -7.237 -14.376 -14.376 110 1HZ LYS 6 HZ3 LYS 6 -4.820 -14.477 -14.477 111 2HZ LYS 6 HZ2 LYS 6 -4.712 -13.845 -13.845 112 3HZ LYS 6 HZ1 LYS 6 -5.412 -15.371 -15.371 113 H TYR 7 HN TYR 7 -9.163 -8.281 -8.281 114 HA TYR 7 HA TYR 7 -11.522 -8.614 -8.614 115 1HB TYR 7 HB2 TYR 7 -8.761 -8.518 -8.518 116 2HB TYR 7 HB1 TYR 7 -10.294 -8.772 -8.772 117 HD1 TYR 7 HD2 TYR 7 -7.776 -10.268 -10.268 118 HD2 TYR 7 HD1 TYR 7 -11.420 -10.936 -10.936 119 HE1 TYR 7 HE2 TYR 7 -7.504 -12.701 -12.701 120 HE2 TYR 7 HE1 TYR 7 -11.163 -13.384 -13.384 121 HH TYR 7 HH TYR 7 -9.943 -14.882 -14.882 122 H ASP 8 HN ASP 8 -11.174 -6.947 -6.947 123 HA ASP 8 HA ASP 8 -11.147 -4.356 -4.356 124 1HB ASP 8 HB2 ASP 8 -12.053 -5.549 -5.549 125 2HB ASP 8 HB1 ASP 8 -11.121 -4.090 -4.090 126 H PHE 9 HN PHE 9 -9.819 -2.568 -2.568 127 HA PHE 9 HA PHE 9 -7.471 -2.885 -2.885 128 1HB PHE 9 HB2 PHE 9 -6.610 -4.355 -4.355 129 2HB PHE 9 HB1 PHE 9 -7.148 -3.287 -3.287 130 HD1 PHE 9 HD1 PHE 9 -4.655 -3.816 -3.816 131 HD2 PHE 9 HD2 PHE 9 -5.954 -1.322 -1.322 132 HE1 PHE 9 HE1 PHE 9 -2.455 -2.669 -2.669 133 HE2 PHE 9 HE2 PHE 9 -3.746 -0.161 -0.161 134 HZ PHE 9 HZ PHE 9 -2.001 -0.835 -0.835 135 H LYS 10 HN LYS 10 -6.044 -0.832 -0.832 136 HA LYS 10 HA LYS 10 -7.409 1.306 1.306 137 1HB LYS 10 HB2 LYS 10 -7.809 2.745 2.745 138 2HB LYS 10 HB1 LYS 10 -8.268 1.173 1.173 139 1HG LYS 10 HG2 LYS 10 -5.850 1.019 1.019 140 2HG LYS 10 HG1 LYS 10 -5.746 2.747 2.747 141 1HD LYS 10 HD2 LYS 10 -8.125 2.642 2.642 142 2HD LYS 10 HD1 LYS 10 -7.242 1.339 1.339 143 1HE LYS 10 HE2 LYS 10 -6.310 2.975 2.975 144 2HE LYS 10 HE1 LYS 10 -5.339 3.343 3.343 145 1HZ LYS 10 HZ3 LYS 10 -8.038 4.483 4.483 146 2HZ LYS 10 HZ2 LYS 10 -6.737 5.195 5.195 147 3HZ LYS 10 HZ1 LYS 10 -6.707 5.077 5.077 148 H ALA 11 HN ALA 11 -6.142 3.259 3.259 149 HA ALA 11 HA ALA 11 -3.458 2.630 2.630 150 1HB ALA 11 HB2 ALA 11 -4.948 4.453 4.453 151 2HB ALA 11 HB1 ALA 11 -4.493 5.430 5.430 152 3HB ALA 11 HB3 ALA 11 -3.252 4.869 4.869 153 H THR 12 HN THR 12 -1.588 2.879 2.879 154 HA THR 12 HA THR 12 -1.921 4.143 4.143 155 HB THR 12 HB THR 12 -0.179 2.525 2.525 156 HG1 THR 12 HG1 THR 12 0.857 1.556 1.556 157 1HG2 THR 12 HG23 THR 12 -2.755 1.482 1.482 158 2HG2 THR 12 HG22 THR 12 -1.709 0.488 0.488 159 3HG2 THR 12 HG21 THR 12 -2.442 1.951 1.951 160 H ALA 13 HN ALA 13 -1.168 5.680 5.680 161 HA ALA 13 HA ALA 13 1.228 6.940 6.940 162 1HB ALA 13 HB3 ALA 13 1.565 4.825 4.825 163 2HB ALA 13 HB2 ALA 13 2.529 6.301 6.301 164 3HB ALA 13 HB1 ALA 13 2.647 5.266 5.266 165 H ASP 14 HN ASP 14 2.137 8.298 8.298 166 HA ASP 14 HA ASP 14 -0.154 9.747 9.747 167 1HB ASP 14 HB2 ASP 14 2.033 10.620 10.620 168 2HB ASP 14 HB1 ASP 14 2.721 10.338 10.338 169 H ASP 15 HN ASP 15 1.332 7.037 7.037 170 HA ASP 15 HA ASP 15 0.674 7.634 7.634 171 1HB ASP 15 HB2 ASP 15 3.350 6.974 6.974 172 2HB ASP 15 HB1 ASP 15 2.868 6.129 6.129 173 H GLU 16 HN GLU 16 -0.494 6.019 6.019 174 HA GLU 16 HA GLU 16 -0.230 3.291 3.291 175 1HB GLU 16 HB2 GLU 16 0.179 3.798 3.798 176 2HB GLU 16 HB1 GLU 16 -1.571 3.929 3.929 177 1HG GLU 16 HG2 GLU 16 -1.899 1.700 1.700 178 2HG GLU 16 HG1 GLU 16 -0.589 1.560 1.560 179 H LEU 17 HN LEU 17 -2.439 2.043 2.043 180 HA LEU 17 HA LEU 17 -4.576 3.907 3.907 181 1HB LEU 17 HB2 LEU 17 -3.636 2.551 2.551 182 2HB LEU 17 HB1 LEU 17 -4.027 1.084 1.084 183 HG LEU 17 HG LEU 17 -6.438 1.751 1.751 184 1HD1 LEU 17 HD13 LEU 17 -5.382 4.246 4.246 185 2HD1 LEU 17 HD12 LEU 17 -6.215 3.627 3.627 186 3HD1 LEU 17 HD11 LEU 17 -7.083 3.801 3.801 187 1HD2 LEU 17 HD22 LEU 17 -4.779 1.084 1.084 188 2HD2 LEU 17 HD21 LEU 17 -6.181 0.245 0.245 189 3HD2 LEU 17 HD23 LEU 17 -6.408 1.658 1.658 190 H SER 18 HN SER 18 -6.734 3.438 3.438 191 HA SER 18 HA SER 18 -7.079 1.583 1.583 192 1HB SER 18 HB2 SER 18 -8.920 3.758 3.758 193 2HB SER 18 HB1 SER 18 -8.535 3.073 3.073 194 HG SER 18 HG SER 18 -7.651 5.240 5.240 195 H PHE 19 HN PHE 19 -8.692 0.016 0.016 196 HA PHE 19 HA PHE 19 -10.842 0.301 0.301 197 1HB PHE 19 HB2 PHE 19 -10.278 -1.730 -1.730 198 2HB PHE 19 HB1 PHE 19 -9.058 -0.476 -0.476 199 HD1 PHE 19 HD1 PHE 19 -9.863 -3.614 -3.614 200 HD2 PHE 19 HD2 PHE 19 -6.803 -0.838 -0.838 201 HE1 PHE 19 HE1 PHE 19 -8.118 -5.198 -5.198 202 HE2 PHE 19 HE2 PHE 19 -5.061 -2.419 -2.419 203 HZ PHE 19 HZ PHE 19 -5.720 -4.599 -4.599 204 H LYS 20 HN LYS 20 -12.260 -1.720 -1.720 205 HA LYS 20 HA LYS 20 -12.238 -2.863 -2.863 206 1HB LYS 20 HB2 LYS 20 -14.597 -2.495 -2.495 207 2HB LYS 20 HB1 LYS 20 -14.649 -2.963 -2.963 208 1HG LYS 20 HG2 LYS 20 -13.154 -0.497 -0.497 209 2HG LYS 20 HG1 LYS 20 -14.758 -0.350 -0.350 210 1HD LYS 20 HD2 LYS 20 -15.470 -1.537 -1.537 211 2HD LYS 20 HD1 LYS 20 -13.981 -0.780 -0.780 212 1HE LYS 20 HE2 LYS 20 -15.900 0.865 0.865 213 2HE LYS 20 HE1 LYS 20 -16.274 0.541 0.541 214 1HZ LYS 20 HZ3 LYS 20 -13.631 1.553 1.553 215 2HZ LYS 20 HZ2 LYS 20 -14.918 2.599 2.599 216 3HZ LYS 20 HZ1 LYS 20 -14.301 1.557 1.557 217 H ARG 21 HN ARG 21 -13.784 -4.911 -4.911 218 HA ARG 21 HA ARG 21 -12.412 -6.930 -6.930 219 1HB ARG 21 HB2 ARG 21 -13.432 -7.219 -7.219 220 2HB ARG 21 HB1 ARG 21 -15.023 -7.128 -7.128 221 1HG ARG 21 HG2 ARG 21 -14.801 -9.184 -9.184 222 2HG ARG 21 HG1 ARG 21 -13.040 -9.068 -9.068 223 1HD ARG 21 HD2 ARG 21 -12.738 -9.869 -9.869 224 2HD ARG 21 HD1 ARG 21 -14.204 -9.104 -9.104 225 HE ARG 21 HE ARG 21 -15.424 -10.988 -10.988 226 1HH1 ARG 21 HH11 ARG 21 -13.740 -12.749 -12.749 227 2HH1 ARG 21 HH12 ARG 21 -13.115 -13.800 -13.800 228 1HH2 ARG 21 HH21 ARG 21 -13.970 -11.690 -11.690 229 2HH2 ARG 21 HH22 ARG 21 -13.246 -13.200 -13.200 230 H GLY 22 HN GLY 22 -12.746 -6.750 -6.750 231 1HA GLY 22 HA2 GLY 22 -14.298 -7.718 -7.718 232 2HA GLY 22 HA1 GLY 22 -15.590 -6.820 -6.820 233 H ASP 23 HN ASP 23 -12.916 -4.834 -4.834 234 HA ASP 23 HA ASP 23 -13.841 -3.338 -3.338 235 1HB ASP 23 HB2 ASP 23 -13.025 -2.612 -2.612 236 2HB ASP 23 HB1 ASP 23 -11.725 -2.091 -2.091 237 H ILE 24 HN ILE 24 -12.873 -4.417 -4.417 238 HA ILE 24 HA ILE 24 -10.136 -5.293 -5.293 239 HB ILE 24 HB ILE 24 -11.707 -4.740 -4.740 240 1HG1 ILE 24 HG12 ILE 24 -11.972 -7.014 -7.014 241 2HG1 ILE 24 HG11 ILE 24 -13.257 -6.002 -6.002 242 1HG2 ILE 24 HG22 ILE 24 -9.171 -5.549 -5.549 243 2HG2 ILE 24 HG21 ILE 24 -9.949 -7.118 -7.118 244 3HG2 ILE 24 HG23 ILE 24 -10.167 -6.146 -6.146 245 1HD1 ILE 24 HD13 ILE 24 -12.178 -7.131 -7.131 246 2HD1 ILE 24 HD12 ILE 24 -12.059 -8.439 -8.439 247 3HD1 ILE 24 HD11 ILE 24 -13.624 -7.703 -7.703 248 H LEU 25 HN LEU 25 -8.337 -4.182 -4.182 249 HA LEU 25 HA LEU 25 -8.522 -1.286 -1.286 250 1HB LEU 25 HB2 LEU 25 -6.006 -2.937 -2.937 251 2HB LEU 25 HB1 LEU 25 -6.186 -1.203 -1.203 252 HG LEU 25 HG LEU 25 -6.220 -2.004 -2.004 253 1HD1 LEU 25 HD11 LEU 25 -9.128 -2.000 -2.000 254 2HD1 LEU 25 HD13 LEU 25 -8.544 -1.866 -1.866 255 3HD1 LEU 25 HD12 LEU 25 -8.175 -0.599 -0.599 256 1HD2 LEU 25 HD23 LEU 25 -6.621 -4.457 -4.457 257 2HD2 LEU 25 HD22 LEU 25 -6.824 -4.105 -4.105 258 3HD2 LEU 25 HD21 LEU 25 -8.235 -4.164 -4.164 259 H LYS 26 HN LYS 26 -7.163 -0.170 -0.170 260 HA LYS 26 HA LYS 26 -6.928 -1.785 -1.785 261 1HB LYS 26 HB2 LYS 26 -8.211 0.561 0.561 262 2HB LYS 26 HB1 LYS 26 -6.599 1.174 1.174 263 1HG LYS 26 HG2 LYS 26 -7.640 -1.024 -1.024 264 2HG LYS 26 HG1 LYS 26 -8.373 0.569 0.569 265 1HD LYS 26 HD2 LYS 26 -5.376 0.209 0.209 266 2HD LYS 26 HD1 LYS 26 -6.301 0.041 0.041 267 1HE LYS 26 HE2 LYS 26 -6.358 2.479 2.479 268 2HE LYS 26 HE1 LYS 26 -5.427 2.352 2.352 269 1HZ LYS 26 HZ2 LYS 26 -7.666 1.732 1.732 270 2HZ LYS 26 HZ1 LYS 26 -8.354 2.414 2.414 271 3HZ LYS 26 HZ3 LYS 26 -7.383 3.363 3.363 272 H VAL 27 HN VAL 27 -4.886 -2.733 -2.733 273 HA VAL 27 HA VAL 27 -2.600 -1.461 -1.461 274 HB VAL 27 HB VAL 27 -2.673 -3.619 -3.619 275 1HG1 VAL 27 HG12 VAL 27 -0.504 -2.314 -2.314 276 2HG1 VAL 27 HG11 VAL 27 -0.452 -4.078 -4.078 277 3HG1 VAL 27 HG13 VAL 27 -0.424 -3.179 -3.179 278 1HG2 VAL 27 HG21 VAL 27 -3.907 -3.933 -3.933 279 2HG2 VAL 27 HG23 VAL 27 -2.787 -5.192 -5.192 280 3HG2 VAL 27 HG22 VAL 27 -2.286 -4.010 -4.010 281 H LEU 28 HN LEU 28 -1.927 0.497 0.497 282 HA LEU 28 HA LEU 28 -1.889 1.163 1.163 283 1HB LEU 28 HB2 LEU 28 -0.579 2.985 2.985 284 2HB LEU 28 HB1 LEU 28 -1.584 3.379 3.379 285 HG LEU 28 HG LEU 28 -3.275 2.035 2.035 286 1HD1 LEU 28 HD11 LEU 28 -1.450 4.059 4.059 287 2HD1 LEU 28 HD13 LEU 28 -3.011 3.605 3.605 288 3HD1 LEU 28 HD12 LEU 28 -1.741 2.396 2.396 289 1HD2 LEU 28 HD23 LEU 28 -3.308 4.302 4.302 290 2HD2 LEU 28 HD22 LEU 28 -4.608 3.799 3.799 291 3HD2 LEU 28 HD21 LEU 28 -3.410 4.968 4.968 292 H ASN 29 HN ASN 29 0.280 0.179 0.179 293 HA ASN 29 HA ASN 29 2.413 -0.113 -0.113 294 1HB ASN 29 HB2 ASN 29 2.380 2.259 2.259 295 2HB ASN 29 HB1 ASN 29 3.305 1.339 1.339 296 1HD2 ASN 29 HD22 ASN 29 6.226 1.642 1.642 297 2HD2 ASN 29 HD21 ASN 29 5.506 1.575 1.575 298 H GLU 30 HN GLU 30 4.194 -1.351 -1.351 299 HA GLU 30 HA GLU 30 3.667 -3.187 -3.187 300 1HB GLU 30 HB2 GLU 30 5.634 -3.503 -3.503 301 2HB GLU 30 HB1 GLU 30 5.119 -4.748 -4.748 302 1HG GLU 30 HG2 GLU 30 2.897 -4.783 -4.783 303 2HG GLU 30 HG1 GLU 30 3.195 -3.331 -3.331 304 H GLU 31 HN GLU 31 6.334 -4.047 -4.047 305 HA GLU 31 HA GLU 31 8.410 -3.485 -3.485 306 1HB GLU 31 HB2 GLU 31 7.759 -0.564 -0.564 307 2HB GLU 31 HB1 GLU 31 9.340 -1.292 -1.292 308 1HG GLU 31 HG2 GLU 31 9.336 -2.342 -2.342 309 2HG GLU 31 HG1 GLU 31 7.611 -2.062 -2.062 310 H CYS 32 HN CYS 32 9.024 -1.476 -1.476 311 HA CYS 32 HA CYS 32 8.591 -0.701 -0.701 312 1HB CYS 32 HB2 CYS 32 5.727 -1.650 -1.650 313 2HB CYS 32 HB1 CYS 32 6.364 -0.403 -0.403 314 HG CYS 32 HG CYS 32 6.553 1.213 1.213 315 H ASP 33 HN ASP 33 7.055 -1.948 -1.948 316 HA ASP 33 HA ASP 33 8.570 -3.929 -3.929 317 1HB ASP 33 HB2 ASP 33 6.287 -2.856 -2.856 318 2HB ASP 33 HB1 ASP 33 5.648 -4.377 -4.377 319 H GLN 34 HN GLN 34 8.419 -6.239 -6.239 320 HA GLN 34 HA GLN 34 7.906 -7.383 -7.383 321 1HB GLN 34 HB2 GLN 34 9.979 -7.883 -7.883 322 2HB GLN 34 HB1 GLN 34 8.921 -8.873 -8.873 323 1HG GLN 34 HG2 GLN 34 8.546 -10.430 -10.430 324 2HG GLN 34 HG1 GLN 34 8.882 -9.271 -9.271 325 1HE2 GLN 34 HE22 GLN 34 11.803 -11.704 -11.704 326 2HE2 GLN 34 HE21 GLN 34 10.136 -12.022 -12.022 327 H ASN 35 HN ASN 35 5.773 -6.658 -6.658 328 HA ASN 35 HA ASN 35 4.155 -9.059 -9.059 329 1HB ASN 35 HB2 ASN 35 5.025 -8.075 -8.075 330 2HB ASN 35 HB1 ASN 35 3.416 -8.765 -8.765 331 1HD2 ASN 35 HD22 ASN 35 6.042 -11.454 -11.454 332 2HD2 ASN 35 HD21 ASN 35 5.759 -9.958 -9.958 333 H TRP 36 HN TRP 36 4.254 -5.871 -5.871 334 HA TRP 36 HA TRP 36 1.314 -5.579 -5.579 335 1HB TRP 36 HB2 TRP 36 3.292 -3.295 -3.295 336 2HB TRP 36 HB1 TRP 36 1.556 -3.227 -3.227 337 HD1 TRP 36 HD1 TRP 36 4.392 -5.588 -5.588 338 HE1 TRP 36 HE1 TRP 36 4.199 -5.693 -5.693 339 HE3 TRP 36 HE3 TRP 36 0.351 -2.456 -2.456 340 HZ2 TRP 36 HZ2 TRP 36 2.666 -4.616 -4.616 341 HZ3 TRP 36 HZ3 TRP 36 -0.376 -2.015 -2.015 342 HH2 TRP 36 HH2 TRP 36 0.756 -3.098 -3.098 343 H TYR 37 HN TYR 37 0.600 -3.534 -3.534 344 HA TYR 37 HA TYR 37 2.001 -3.536 -3.536 345 1HB TYR 37 HB2 TYR 37 -0.972 -3.986 -3.986 346 2HB TYR 37 HB1 TYR 37 -0.217 -3.680 -3.680 347 HD1 TYR 37 HD2 TYR 37 2.218 -5.369 -5.369 348 HD2 TYR 37 HD1 TYR 37 -1.803 -6.116 -6.116 349 HE1 TYR 37 HE2 TYR 37 2.567 -7.807 -7.807 350 HE2 TYR 37 HE1 TYR 37 -1.478 -8.540 -8.540 351 HH TYR 37 HH TYR 37 1.670 -9.905 -9.905 352 H LYS 38 HN LYS 38 1.470 -1.629 -1.629 353 HA LYS 38 HA LYS 38 0.363 0.595 0.595 354 1HB LYS 38 HB2 LYS 38 2.550 0.818 0.818 355 2HB LYS 38 HB1 LYS 38 1.506 0.821 0.821 356 1HG LYS 38 HG2 LYS 38 0.233 2.623 2.623 357 2HG LYS 38 HG1 LYS 38 1.933 2.914 2.914 358 1HD LYS 38 HD2 LYS 38 1.782 2.640 2.640 359 2HD LYS 38 HD1 LYS 38 0.432 3.672 3.672 360 1HE LYS 38 HE2 LYS 38 2.079 5.001 5.001 361 2HE LYS 38 HE1 LYS 38 3.362 4.087 4.087 362 1HZ LYS 38 HZ3 LYS 38 2.310 4.832 4.832 363 2HZ LYS 38 HZ2 LYS 38 1.393 5.927 5.927 364 3HZ LYS 38 HZ1 LYS 38 3.087 6.041 6.041 365 H ALA 39 HN ALA 39 -1.774 1.182 1.182 366 HA ALA 39 HA ALA 39 -2.992 0.698 0.698 367 1HB ALA 39 HB1 ALA 39 -3.105 -1.482 -1.482 368 2HB ALA 39 HB3 ALA 39 -4.009 -0.725 -0.725 369 3HB ALA 39 HB2 ALA 39 -4.704 -0.798 -0.798 370 H GLU 40 HN GLU 40 -5.534 0.964 0.964 371 HA GLU 40 HA GLU 40 -5.988 3.213 3.213 372 1HB GLU 40 HB2 GLU 40 -5.554 4.813 4.813 373 2HB GLU 40 HB1 GLU 40 -4.916 3.570 3.570 374 1HG GLU 40 HG2 GLU 40 -7.084 3.367 3.367 375 2HG GLU 40 HG1 GLU 40 -7.836 4.454 4.454 376 H LEU 41 HN LEU 41 -7.954 3.487 3.487 377 HA LEU 41 HA LEU 41 -10.092 1.859 1.859 378 1HB LEU 41 HB2 LEU 41 -9.667 2.844 2.844 379 2HB LEU 41 HB1 LEU 41 -11.337 2.699 2.699 380 HG LEU 41 HG LEU 41 -9.364 0.509 0.509 381 1HD1 LEU 41 HD12 LEU 41 -11.033 1.105 1.105 382 2HD1 LEU 41 HD11 LEU 41 -10.412 -0.506 -0.506 383 3HD1 LEU 41 HD13 LEU 41 -9.294 0.827 0.827 384 1HD2 LEU 41 HD21 LEU 41 -11.601 0.685 0.685 385 2HD2 LEU 41 HD23 LEU 41 -11.354 -0.808 -0.808 386 3HD2 LEU 41 HD22 LEU 41 -12.360 0.476 0.476 387 H ASN 42 HN ASN 42 -10.710 2.962 2.962 388 HA ASN 42 HA ASN 42 -11.694 4.692 4.692 389 1HB ASN 42 HB2 ASN 42 -13.234 4.170 4.170 390 2HB ASN 42 HB1 ASN 42 -13.720 5.559 5.559 391 1HD2 ASN 42 HD22 ASN 42 -14.947 3.573 3.573 392 2HD2 ASN 42 HD21 ASN 42 -14.499 5.135 5.135 393 H GLY 43 HN GLY 43 -9.555 5.782 5.782 394 1HA GLY 43 HA2 GLY 43 -9.420 8.425 8.425 395 2HA GLY 43 HA1 GLY 43 -10.634 8.429 8.429 396 H LYS 44 HN LYS 44 -9.491 6.336 6.336 397 HA LYS 44 HA LYS 44 -7.319 7.807 7.807 398 1HB LYS 44 HB2 LYS 44 -9.089 5.544 5.544 399 2HB LYS 44 HB1 LYS 44 -7.491 5.692 5.692 400 1HG LYS 44 HG2 LYS 44 -7.934 7.832 7.832 401 2HG LYS 44 HG1 LYS 44 -9.354 8.043 8.043 402 1HD LYS 44 HD2 LYS 44 -9.116 5.988 5.988 403 2HD LYS 44 HD1 LYS 44 -9.976 7.523 7.523 404 1HE LYS 44 HE2 LYS 44 -11.131 6.598 6.598 405 2HE LYS 44 HE1 LYS 44 -10.724 5.057 5.057 406 1HZ LYS 44 HZ2 LYS 44 -12.143 7.239 7.239 407 2HZ LYS 44 HZ1 LYS 44 -12.945 5.978 5.978 408 3HZ LYS 44 HZ3 LYS 44 -11.939 5.632 5.632 409 H ASP 45 HN ASP 45 -5.496 6.387 6.387 410 HA ASP 45 HA ASP 45 -4.883 4.118 4.118 411 1HB ASP 45 HB2 ASP 45 -3.656 4.968 4.968 412 2HB ASP 45 HB1 ASP 45 -4.691 6.350 6.350 413 H GLY 46 HN GLY 46 -2.315 3.780 3.780 414 1HA GLY 46 HA2 GLY 46 -0.342 4.381 4.381 415 2HA GLY 46 HA1 GLY 46 -1.458 4.340 4.340 416 H PHE 47 HN PHE 47 0.585 2.782 2.782 417 HA PHE 47 HA PHE 47 0.715 0.206 0.206 418 1HB PHE 47 HB2 PHE 47 1.328 0.869 0.869 419 2HB PHE 47 HB1 PHE 47 2.027 -0.428 -0.428 420 HD1 PHE 47 HD2 PHE 47 2.754 0.745 0.745 421 HD2 PHE 47 HD1 PHE 47 2.939 2.504 2.504 422 HE1 PHE 47 HE2 PHE 47 4.527 2.295 2.295 423 HE2 PHE 47 HE1 PHE 47 4.712 4.052 4.052 424 HZ PHE 47 HZ PHE 47 5.506 3.948 3.948 425 H ILE 48 HN ILE 48 0.019 -1.874 -1.874 426 HA ILE 48 HA ILE 48 -2.190 -1.865 -1.865 427 HB ILE 48 HB ILE 48 -3.528 -3.374 -3.374 428 1HG1 ILE 48 HG12 ILE 48 -2.134 -1.930 -1.930 429 2HG1 ILE 48 HG11 ILE 48 -1.366 -3.377 -3.377 430 1HG2 ILE 48 HG21 ILE 48 -3.100 -0.431 -0.431 431 2HG2 ILE 48 HG23 ILE 48 -4.436 -1.367 -1.367 432 3HG2 ILE 48 HG22 ILE 48 -4.296 -1.148 -1.148 433 1HD1 ILE 48 HD11 ILE 48 -4.252 -3.695 -3.695 434 2HD1 ILE 48 HD13 ILE 48 -3.326 -3.365 -3.365 435 3HD1 ILE 48 HD12 ILE 48 -2.913 -4.750 -4.750 436 HA PRO 49 HA PRO 49 0.356 -5.429 -5.429 437 1HB PRO 49 HB2 PRO 49 -1.132 -6.412 -6.412 438 2HB PRO 49 HB1 PRO 49 0.072 -5.113 -5.113 439 1HG PRO 49 HG2 PRO 49 -2.932 -4.925 -4.925 440 2HG PRO 49 HG1 PRO 49 -1.754 -3.861 -3.861 441 1HD PRO 49 HD2 PRO 49 -3.013 -3.260 -3.260 442 2HD PRO 49 HD1 PRO 49 -1.544 -2.510 -2.510 443 H LYS 50 HN LYS 50 0.157 -6.818 -6.818 444 HA LYS 50 HA LYS 50 -1.883 -8.084 -8.084 445 1HB LYS 50 HB2 LYS 50 0.644 -8.210 -8.210 446 2HB LYS 50 HB1 LYS 50 0.602 -9.544 -9.544 447 1HG LYS 50 HG2 LYS 50 -0.935 -10.770 -10.770 448 2HG LYS 50 HG1 LYS 50 -0.997 -9.410 -9.410 449 1HD LYS 50 HD2 LYS 50 1.268 -9.667 -9.667 450 2HD LYS 50 HD1 LYS 50 1.629 -10.653 -10.653 451 1HE LYS 50 HE2 LYS 50 0.066 -12.410 -12.410 452 2HE LYS 50 HE1 LYS 50 -0.027 -11.452 -11.452 453 1HZ LYS 50 HZ2 LYS 50 2.594 -12.205 -12.205 454 2HZ LYS 50 HZ1 LYS 50 1.720 -13.315 -13.315 455 3HZ LYS 50 HZ3 LYS 50 2.181 -11.823 -11.823 456 H ASN 51 HN ASN 51 -0.942 -8.839 -8.839 457 HA ASN 51 HA ASN 51 -1.804 -11.425 -11.425 458 1HB ASN 51 HB2 ASN 51 -1.499 -9.177 -9.177 459 2HB ASN 51 HB1 ASN 51 -2.414 -10.520 -10.520 460 1HD2 ASN 51 HD22 ASN 51 0.465 -12.425 -12.425 461 2HD2 ASN 51 HD21 ASN 51 -1.187 -12.167 -12.167 462 H TYR 52 HN TYR 52 -3.653 -8.469 -8.469 463 HA TYR 52 HA TYR 52 -6.158 -10.034 -10.034 464 1HB TYR 52 HB2 TYR 52 -5.678 -7.053 -7.053 465 2HB TYR 52 HB1 TYR 52 -7.221 -7.838 -7.838 466 HD1 TYR 52 HD1 TYR 52 -6.054 -10.333 -10.333 467 HD2 TYR 52 HD2 TYR 52 -5.716 -6.098 -6.098 468 HE1 TYR 52 HE1 TYR 52 -5.678 -10.585 -10.585 469 HE2 TYR 52 HE2 TYR 52 -5.343 -6.343 -6.343 470 HH TYR 52 HH TYR 52 -4.333 -8.825 -8.825 471 H ILE 53 HN ILE 53 -4.668 -10.144 -10.144 472 HA ILE 53 HA ILE 53 -6.565 -9.049 -9.049 473 HB ILE 53 HB ILE 53 -3.999 -8.264 -8.264 474 1HG1 ILE 53 HG12 ILE 53 -5.068 -6.708 -6.708 475 2HG1 ILE 53 HG11 ILE 53 -3.636 -7.738 -7.738 476 1HG2 ILE 53 HG21 ILE 53 -6.320 -7.688 -7.688 477 2HG2 ILE 53 HG23 ILE 53 -6.409 -6.533 -6.533 478 3HG2 ILE 53 HG22 ILE 53 -5.159 -6.375 -6.375 479 1HD1 ILE 53 HD11 ILE 53 -2.885 -6.387 -6.387 480 2HD1 ILE 53 HD13 ILE 53 -4.092 -5.221 -5.221 481 3HD1 ILE 53 HD12 ILE 53 -2.752 -5.627 -5.627 482 H GLU 54 HN GLU 54 -6.106 -9.570 -9.570 483 HA GLU 54 HA GLU 54 -4.226 -11.675 -11.675 484 1HB GLU 54 HB2 GLU 54 -5.669 -13.348 -13.348 485 2HB GLU 54 HB1 GLU 54 -6.964 -12.266 -12.266 486 1HG GLU 54 HG2 GLU 54 -7.326 -11.734 -11.734 487 2HG GLU 54 HG1 GLU 54 -6.030 -12.848 -12.848 488 H MET 55 HN MET 55 -3.954 -12.097 -12.097 489 HA MET 55 HA MET 55 -4.062 -9.499 -9.499 490 1HB MET 55 HB2 MET 55 -1.947 -10.860 -10.860 491 2HB MET 55 HB1 MET 55 -2.704 -12.051 -12.051 492 1HG MET 55 HG2 MET 55 -2.602 -10.687 -10.687 493 2HG MET 55 HG1 MET 55 -2.787 -9.214 -9.214 494 1HE MET 55 HE3 MET 55 -0.568 -11.873 -11.873 495 2HE MET 55 HE2 MET 55 1.015 -11.664 -11.664 496 3HE MET 55 HE1 MET 55 -0.323 -12.296 -12.296 497 H LYS 56 HN LYS 56 -6.054 -9.239 -9.239 498 HA LYS 56 HA LYS 56 -7.116 -11.424 -11.424 499 1HB LYS 56 HB2 LYS 56 -8.249 -9.081 -9.081 500 2HB LYS 56 HB1 LYS 56 -9.015 -9.636 -9.636 501 1HG LYS 56 HG2 LYS 56 -9.383 -11.815 -11.815 502 2HG LYS 56 HG1 LYS 56 -8.323 -11.477 -11.477 503 1HD LYS 56 HD2 LYS 56 -10.658 -11.286 -11.286 504 2HD LYS 56 HD1 LYS 56 -9.897 -9.696 -9.696 505 1HE LYS 56 HE2 LYS 56 -12.086 -9.506 -9.506 506 2HE LYS 56 HE1 LYS 56 -10.829 -9.255 -9.255 507 1HZ LYS 56 HZ2 LYS 56 -12.024 -11.919 -11.919 508 2HZ LYS 56 HZ1 LYS 56 -12.727 -10.812 -10.812 509 3HZ LYS 56 HZ3 LYS 56 -11.154 -11.381 -11.381 510 HA PRO 57 HA PRO 57 -6.224 -9.366 -9.366 511 1HB PRO 57 HB2 PRO 57 -8.286 -10.099 -10.099 512 2HB PRO 57 HB1 PRO 57 -6.919 -11.151 -11.151 513 1HG PRO 57 HG2 PRO 57 -9.687 -11.191 -11.191 514 2HG PRO 57 HG1 PRO 57 -8.531 -12.504 -12.504 515 1HD PRO 57 HD2 PRO 57 -9.159 -11.151 -11.151 516 2HD PRO 57 HD1 PRO 57 -7.738 -12.189 -12.189 517 H HIS 58 HN HIS 58 -7.712 -8.074 -8.074 518 HA HIS 58 HA HIS 58 -9.959 -6.576 -6.576 519 1HB HIS 58 HB2 HIS 58 -8.713 -5.539 -5.539 520 2HB HIS 58 HB1 HIS 58 -7.267 -5.413 -5.413 521 HD1 HIS 58 HD1 HIS 58 -10.754 -3.891 -3.891 522 HD2 HIS 58 HD2 HIS 58 -6.994 -2.994 -2.994 523 HE1 HIS 58 HE1 HIS 58 -10.880 -1.501 -1.501 524 HA PRO 59 HA PRO 59 -8.672 -6.004 -6.004 525 1HB PRO 59 HB2 PRO 59 -11.109 -6.668 -6.668 526 2HB PRO 59 HB1 PRO 59 -9.847 -7.857 -7.857 527 1HG PRO 59 HG2 PRO 59 -12.395 -7.312 -7.312 528 2HG PRO 59 HG1 PRO 59 -11.440 -8.803 -8.803 529 1HD PRO 59 HD2 PRO 59 -11.467 -6.940 -6.940 530 2HD PRO 59 HD1 PRO 59 -10.303 -8.263 -8.263 531 H GLU 60 HN GLU 60 -9.776 -4.514 -4.514 532 HA GLU 60 HA GLU 60 -11.917 -2.763 -2.763 533 1HB GLU 60 HB2 GLU 60 -10.069 -2.034 -2.034 534 2HB GLU 60 HB1 GLU 60 -9.172 -1.497 -1.497 535 1HG GLU 60 HG2 GLU 60 -10.929 0.055 0.055 536 2HG GLU 60 HG1 GLU 60 -11.979 -0.574 -0.574 537 H PHE 61 HN PHE 61 -12.712 -2.028 -2.028 538 HA PHE 61 HA PHE 61 -10.789 -1.602 -1.602 539 1HB PHE 61 HB2 PHE 61 -12.911 -3.509 -3.509 540 2HB PHE 61 HB1 PHE 61 -13.411 -2.282 -2.282 541 HD1 PHE 61 HD2 PHE 61 -11.604 -1.563 -1.563 542 HD2 PHE 61 HD1 PHE 61 -11.467 -5.222 -5.222 543 HE1 PHE 61 HE2 PHE 61 -10.080 -2.544 -2.544 544 HE2 PHE 61 HE1 PHE 61 -9.944 -6.203 -6.203 545 HZ PHE 61 HZ PHE 61 -9.251 -4.864 -4.864 546 H ILE 62 HN ILE 62 -14.304 -1.065 -1.065 547 HA ILE 62 HA ILE 62 -13.799 1.836 1.836 548 HB ILE 62 HB ILE 62 -16.271 0.247 0.247 549 1HG1 ILE 62 HG12 ILE 62 -14.060 1.213 1.213 550 2HG1 ILE 62 HG11 ILE 62 -14.139 -0.435 -0.435 551 1HG2 ILE 62 HG23 ILE 62 -15.386 3.084 3.084 552 2HG2 ILE 62 HG22 ILE 62 -16.268 2.398 2.398 553 3HG2 ILE 62 HG21 ILE 62 -17.007 2.428 2.428 554 1HD1 ILE 62 HD13 ILE 62 -16.602 -0.366 -0.366 555 2HD1 ILE 62 HD12 ILE 62 -15.987 0.947 0.947 556 3HD1 ILE 62 HD11 ILE 62 -15.267 -0.659 -0.659 557 H VAL 63 HN VAL 63 -13.737 2.315 2.315 558 HA VAL 63 HA VAL 63 -14.585 2.689 2.689 559 HB VAL 63 HB VAL 63 -16.613 4.043 4.043 560 1HG1 VAL 63 HG11 VAL 63 -14.861 4.428 4.428 561 2HG1 VAL 63 HG13 VAL 63 -16.006 5.636 5.636 562 3HG1 VAL 63 HG12 VAL 63 -14.644 5.148 5.148 563 1HG2 VAL 63 HG21 VAL 63 -17.897 2.493 2.493 564 2HG2 VAL 63 HG23 VAL 63 -18.087 4.212 4.212 565 3HG2 VAL 63 HG22 VAL 63 -17.013 3.227 3.227 566 H THR 64 HN THR 64 -17.174 2.494 2.494 567 HA THR 64 HA THR 64 -17.919 -0.369 -0.369 568 HB THR 64 HB THR 64 -18.002 -0.677 -0.677 569 HG1 THR 64 HG1 THR 64 -17.925 0.996 0.996 570 1HG2 THR 64 HG22 THR 64 -15.368 0.395 0.395 571 2HG2 THR 64 HG21 THR 64 -15.545 -0.533 -0.533 572 3HG2 THR 64 HG23 THR 64 -15.924 -1.277 -1.277 573 H ASP 65 HN ASP 65 -20.078 -0.464 -0.464 574 HA ASP 65 HA ASP 65 -22.359 0.093 0.093 575 1HB ASP 65 HB2 ASP 65 -21.346 0.875 0.875 576 2HB ASP 65 HB1 ASP 65 -22.904 1.553 1.553 577 1H SER 1 HT2 SER 1 -14.395 -7.212 -7.212 578 2H SER 1 HT1 SER 1 -13.016 -6.370 -6.370 579 3H SER 1 HT3 SER 1 -13.540 -6.219 -6.219 580 HA SER 1 HA SER 1 -11.635 -7.669 -7.669 581 1HB SER 1 HB2 SER 1 -13.181 -9.699 -9.699 582 2HB SER 1 HB1 SER 1 -11.441 -9.434 -9.434 583 HG SER 1 HG SER 1 -13.174 -8.568 -8.568 584 HA PRO 2 HA PRO 2 -14.714 -9.267 -9.267 585 1HB PRO 2 HB2 PRO 2 -13.368 -8.443 -8.443 586 2HB PRO 2 HB1 PRO 2 -14.533 -7.431 -7.431 587 1HG PRO 2 HG2 PRO 2 -11.553 -7.241 -7.241 588 2HG PRO 2 HG1 PRO 2 -12.752 -5.975 -5.975 589 1HD PRO 2 HD2 PRO 2 -11.218 -7.355 -7.355 590 2HD PRO 2 HD1 PRO 2 -12.619 -6.308 -6.308 591 H LEU 3 HN LEU 3 -11.648 -9.341 -9.341 592 HA LEU 3 HA LEU 3 -10.650 -11.848 -11.848 593 1HB LEU 3 HB2 LEU 3 -12.877 -12.605 -12.605 594 2HB LEU 3 HB1 LEU 3 -12.281 -12.096 -12.096 595 HG LEU 3 HG LEU 3 -10.188 -13.577 -13.577 596 1HD1 LEU 3 HD13 LEU 3 -11.469 -13.972 -13.972 597 2HD1 LEU 3 HD12 LEU 3 -12.376 -15.157 -15.157 598 3HD1 LEU 3 HD11 LEU 3 -10.628 -15.319 -15.319 599 1HD2 LEU 3 HD21 LEU 3 -12.860 -14.542 -14.542 600 2HD2 LEU 3 HD23 LEU 3 -11.447 -14.052 -14.052 601 3HD2 LEU 3 HD22 LEU 3 -11.415 -15.552 -15.552 602 H LEU 4 HN LEU 4 -11.146 -9.731 -9.731 603 HA LEU 4 HA LEU 4 -8.964 -10.553 -10.553 604 1HB LEU 4 HB2 LEU 4 -10.565 -8.068 -8.068 605 2HB LEU 4 HB1 LEU 4 -9.006 -7.903 -7.903 606 HG LEU 4 HG LEU 4 -10.672 -10.228 -10.228 607 1HD1 LEU 4 HD13 LEU 4 -11.392 -7.350 -7.350 608 2HD1 LEU 4 HD12 LEU 4 -11.920 -8.697 -8.697 609 3HD1 LEU 4 HD11 LEU 4 -12.432 -8.603 -8.603 610 1HD2 LEU 4 HD21 LEU 4 -8.389 -9.468 -9.468 611 2HD2 LEU 4 HD23 LEU 4 -9.650 -9.823 -9.823 612 3HD2 LEU 4 HD22 LEU 4 -9.275 -8.150 -8.150 613 HA PRO 5 HA PRO 5 -5.636 -9.164 -9.164 614 1HB PRO 5 HB2 PRO 5 -3.550 -10.027 -10.027 615 2HB PRO 5 HB1 PRO 5 -4.496 -11.102 -11.102 616 1HG PRO 5 HG2 PRO 5 -4.558 -10.845 -10.845 617 2HG PRO 5 HG1 PRO 5 -5.006 -12.227 -12.227 618 1HD PRO 5 HD2 PRO 5 -6.800 -10.388 -10.388 619 2HD PRO 5 HD1 PRO 5 -7.213 -11.616 -11.616 620 H LYS 6 HN LYS 6 -3.210 -8.193 -8.193 621 HA LYS 6 HA LYS 6 -4.007 -5.773 -5.773 622 1HB LYS 6 HB2 LYS 6 -2.113 -4.650 -4.650 623 2HB LYS 6 HB1 LYS 6 -3.211 -5.353 -5.353 624 1HG LYS 6 HG2 LYS 6 -1.746 -7.305 -7.305 625 2HG LYS 6 HG1 LYS 6 -0.655 -6.663 -6.663 626 1HD LYS 6 HD2 LYS 6 0.272 -5.147 -5.147 627 2HD LYS 6 HD1 LYS 6 -1.268 -4.800 -4.800 628 1HE LYS 6 HE2 LYS 6 0.156 -5.896 -5.896 629 2HE LYS 6 HE1 LYS 6 -1.100 -7.039 -7.039 630 1HZ LYS 6 HZ1 LYS 6 0.565 -7.832 -7.832 631 2HZ LYS 6 HZ3 LYS 6 1.732 -6.974 -6.974 632 3HZ LYS 6 HZ2 LYS 6 0.878 -8.243 -8.243 633 H LEU 7 HN LEU 7 -1.215 -5.018 -5.018 634 HA LEU 7 HA LEU 7 -0.548 -7.115 -7.115 635 1HB LEU 7 HB2 LEU 7 -0.930 -4.256 -4.256 636 2HB LEU 7 HB1 LEU 7 0.722 -4.668 -4.668 637 HG LEU 7 HG LEU 7 -0.741 -4.789 -4.789 638 1HD1 LEU 7 HD13 LEU 7 1.104 -6.604 -6.604 639 2HD1 LEU 7 HD12 LEU 7 -0.295 -7.678 -7.678 640 3HD1 LEU 7 HD11 LEU 7 0.087 -6.796 -6.796 641 1HD2 LEU 7 HD21 LEU 7 -2.342 -6.611 -6.611 642 2HD2 LEU 7 HD23 LEU 7 -2.895 -5.204 -5.204 643 3HD2 LEU 7 HD22 LEU 7 -2.489 -6.698 -6.698 644 HA PRO 8 HA PRO 8 3.054 -6.950 -6.950 645 1HB PRO 8 HB2 PRO 8 3.490 -9.662 -9.662 646 2HB PRO 8 HB1 PRO 8 2.388 -8.830 -8.830 647 1HG PRO 8 HG2 PRO 8 1.731 -10.537 -10.537 648 2HG PRO 8 HG1 PRO 8 0.771 -10.218 -10.218 649 1HD PRO 8 HD2 PRO 8 0.382 -9.016 -9.016 650 2HD PRO 8 HD1 PRO 8 -0.334 -8.477 -8.477 651 HA PRO 9 HA PRO 9 5.402 -7.361 -7.361 652 1HB PRO 9 HB2 PRO 9 7.508 -5.758 -5.758 653 2HB PRO 9 HB1 PRO 9 5.981 -5.132 -5.132 654 1HG PRO 9 HG2 PRO 9 6.973 -5.103 -5.103 655 2HG PRO 9 HG1 PRO 9 5.846 -3.997 -3.997 656 1HD PRO 9 HD2 PRO 9 5.126 -6.092 -6.092 657 2HD PRO 9 HD1 PRO 9 4.021 -5.214 -5.214 658 H LYS 10 HN LYS 10 7.677 -8.134 -8.134 659 HA LYS 10 HA LYS 10 9.578 -9.459 -9.459 660 1HB LYS 10 HB2 LYS 10 8.897 -9.589 -9.589 661 2HB LYS 10 HB1 LYS 10 10.471 -9.765 -9.765 662 1HG LYS 10 HG2 LYS 10 9.816 -7.277 -7.277 663 2HG LYS 10 HG1 LYS 10 8.964 -7.301 -7.301 664 1HD LYS 10 HD2 LYS 10 11.148 -8.167 -8.167 665 2HD LYS 10 HD1 LYS 10 11.917 -7.710 -7.710 666 1HE LYS 10 HE2 LYS 10 11.229 -5.401 -5.401 667 2HE LYS 10 HE1 LYS 10 10.280 -5.813 -5.813 668 1HZ LYS 10 HZ3 LYS 10 13.214 -6.201 -6.201 669 2HZ LYS 10 HZ2 LYS 10 12.481 -4.860 -4.860 670 3HZ LYS 10 HZ1 LYS 10 12.263 -6.418 -6.418 671 H THR 11 HN THR 11 7.383 -10.726 -10.726 672 HA THR 11 HA THR 11 7.430 -13.326 -13.326 673 HB THR 11 HB THR 11 6.305 -13.120 -13.120 674 HG1 THR 11 HG1 THR 11 9.047 -12.822 -12.822 675 1HG2 THR 11 HG21 THR 11 6.873 -15.178 -15.178 676 2HG2 THR 11 HG23 THR 11 8.414 -15.054 -15.054 677 3HG2 THR 11 HG22 THR 11 6.926 -15.322 -15.322 678 H TYR 12 HN TYR 12 5.404 -14.549 -14.549 679 HA TYR 12 HA TYR 12 2.983 -12.785 -12.785 680 1HB TYR 12 HB2 TYR 12 2.139 -14.206 -14.206 681 2HB TYR 12 HB1 TYR 12 3.581 -13.280 -13.280 682 HD1 TYR 12 HD1 TYR 12 2.418 -16.638 -16.638 683 HD2 TYR 12 HD2 TYR 12 5.576 -14.364 -14.364 684 HE1 TYR 12 HE1 TYR 12 3.608 -18.739 -18.739 685 HE2 TYR 12 HE2 TYR 12 6.766 -16.465 -16.465 686 HH TYR 12 HH TYR 12 5.312 -19.482 -19.482 687 H LYS 13 HN LYS 13 0.973 -13.878 -13.878 688 HA LYS 13 HA LYS 13 1.195 -16.628 -16.628 689 1HB LYS 13 HB2 LYS 13 0.305 -14.295 -14.295 690 2HB LYS 13 HB1 LYS 13 0.358 -15.990 -15.990 691 1HG LYS 13 HG2 LYS 13 2.821 -15.990 -15.990 692 2HG LYS 13 HG1 LYS 13 2.725 -14.260 -14.260 693 1HD LYS 13 HD2 LYS 13 3.246 -14.173 -14.173 694 2HD LYS 13 HD1 LYS 13 1.488 -14.251 -14.251 695 1HE LYS 13 HE2 LYS 13 2.910 -16.855 -16.855 696 2HE LYS 13 HE1 LYS 13 3.116 -15.951 -15.951 697 1HZ LYS 13 HZ3 LYS 13 0.576 -15.689 -15.689 698 2HZ LYS 13 HZ2 LYS 13 0.641 -17.007 -17.007 699 3HZ LYS 13 HZ1 LYS 13 1.214 -17.171 -17.171 700 H ARG 14 HN ARG 14 -0.933 -17.554 -17.554 701 HA ARG 14 HA ARG 14 -3.186 -17.951 -17.951 702 1HB ARG 14 HB2 ARG 14 -3.192 -15.603 -15.603 703 2HB ARG 14 HB1 ARG 14 -3.710 -15.026 -15.026 704 1HG ARG 14 HG2 ARG 14 -5.774 -15.579 -15.579 705 2HG ARG 14 HG1 ARG 14 -5.333 -17.146 -17.146 706 1HD ARG 14 HD2 ARG 14 -4.318 -16.656 -16.656 707 2HD ARG 14 HD1 ARG 14 -6.072 -16.766 -16.766 708 HE ARG 14 HE ARG 14 -4.541 -18.910 -18.910 709 1HH1 ARG 14 HH21 ARG 14 -7.286 -19.516 -19.516 710 2HH1 ARG 14 HH22 ARG 14 -7.240 -20.327 -20.327 711 1HH2 ARG 14 HH11 ARG 14 -4.057 -19.206 -19.206 712 2HH2 ARG 14 HH12 ARG 14 -5.411 -20.153 -20.153 713 H GLU 15 HN GLU 15 -3.274 -18.852 -18.852 714 HA GLU 15 HA GLU 15 -3.410 -16.968 -16.968 715 1HB GLU 15 HB2 GLU 15 -1.815 -19.454 -19.454 716 2HB GLU 15 HB1 GLU 15 -2.551 -19.216 -19.216 717 1HG GLU 15 HG2 GLU 15 -1.335 -17.275 -17.275 718 2HG GLU 15 HG1 GLU 15 -1.080 -16.940 -16.940 Start of MODEL 8 1 1H GLY -8 HT2 GLY -8 12.955 6.124 6.124 2 2H GLY -8 HT1 GLY -8 13.744 5.914 5.914 3 3H GLY -8 HT3 GLY -8 14.094 4.880 4.880 4 1HA GLY -8 HA1 GLY -8 11.824 4.091 4.091 5 2HA GLY -8 HA2 GLY -8 12.742 3.628 3.628 6 H SER -7 HN SER -7 10.848 3.995 3.995 7 HA SER -7 HA SER -7 8.926 4.991 4.991 8 1HB SER -7 HB2 SER -7 9.685 7.083 7.083 9 2HB SER -7 HB1 SER -7 8.260 6.620 6.620 10 HG SER -7 HG SER -7 7.012 6.932 6.932 11 H ARG -6 HN ARG -6 8.580 4.454 4.454 12 HA ARG -6 HA ARG -6 7.004 3.178 3.178 13 1HB ARG -6 HB2 ARG -6 7.844 1.602 1.602 14 2HB ARG -6 HB1 ARG -6 6.106 1.657 1.657 15 1HG ARG -6 HG2 ARG -6 5.761 1.035 1.035 16 2HG ARG -6 HG1 ARG -6 7.501 0.771 0.771 17 1HD ARG -6 HD2 ARG -6 6.975 -0.681 -0.681 18 2HD ARG -6 HD1 ARG -6 5.428 -0.844 -0.844 19 HE ARG -6 HE ARG -6 7.872 -2.147 -2.147 20 1HH1 ARG -6 HH11 ARG -6 8.093 -1.082 -1.082 21 2HH1 ARG -6 HH12 ARG -6 6.785 -1.674 -1.674 22 1HH2 ARG -6 HH21 ARG -6 4.878 -2.680 -2.680 23 2HH2 ARG -6 HH22 ARG -6 4.965 -2.580 -2.580 24 H ARG -5 HN ARG -5 4.570 2.630 2.630 25 HA ARG -5 HA ARG -5 3.133 4.833 4.833 26 1HB ARG -5 HB2 ARG -5 2.223 3.204 3.204 27 2HB ARG -5 HB1 ARG -5 1.449 4.651 4.651 28 1HG ARG -5 HG2 ARG -5 4.285 4.587 4.587 29 2HG ARG -5 HG1 ARG -5 2.888 5.098 5.098 30 1HD ARG -5 HD2 ARG -5 2.406 6.864 6.864 31 2HD ARG -5 HD1 ARG -5 3.803 6.359 6.359 32 HE ARG -5 HE ARG -5 3.899 8.050 8.050 33 1HH1 ARG -5 HH11 ARG -5 5.811 6.754 6.754 34 2HH1 ARG -5 HH12 ARG -5 7.221 6.531 6.531 35 1HH2 ARG -5 HH21 ARG -5 5.576 7.189 7.189 36 2HH2 ARG -5 HH22 ARG -5 7.087 6.772 6.772 37 H ALA -4 HN ALA -4 2.319 4.044 4.044 38 HA ALA -4 HA ALA -4 0.981 1.366 1.366 39 1HB ALA -4 HB1 ALA -4 2.461 2.849 2.849 40 2HB ALA -4 HB3 ALA -4 1.268 1.620 1.620 41 3HB ALA -4 HB2 ALA -4 2.678 1.187 1.187 42 H SER -3 HN SER -3 0.746 4.670 4.670 43 HA SER -3 HA SER -3 -1.115 5.935 5.935 44 1HB SER -3 HB2 SER -3 -2.453 4.007 4.007 45 2HB SER -3 HB1 SER -3 -3.261 5.406 5.406 46 HG SER -3 HG SER -3 -2.342 5.897 5.897 47 H VAL -2 HN VAL -2 -3.151 3.032 3.032 48 HA VAL -2 HA VAL -2 -3.382 3.008 3.008 49 HB VAL -2 HB VAL -2 -5.418 2.024 2.024 50 1HG1 VAL -2 HG11 VAL -2 -5.289 2.273 2.273 51 2HG1 VAL -2 HG13 VAL -2 -6.845 2.470 2.470 52 3HG1 VAL -2 HG12 VAL -2 -5.945 0.965 0.965 53 1HG2 VAL -2 HG23 VAL -2 -4.964 4.708 4.708 54 2HG2 VAL -2 HG22 VAL -2 -5.464 4.328 4.328 55 3HG2 VAL -2 HG21 VAL -2 -6.615 4.176 4.176 56 H GLY -1 HN GLY -1 -2.936 1.095 1.095 57 1HA GLY -1 HA2 GLY -1 -3.176 -1.503 -1.503 58 2HA GLY -1 HA1 GLY -1 -1.496 -0.978 -0.978 59 H SER 0 HN SER 0 -4.086 -1.941 -1.941 60 HA SER 0 HA SER 0 -2.117 -2.616 -2.616 61 1HB SER 0 HB2 SER 0 -3.764 -1.379 -1.379 62 2HB SER 0 HB1 SER 0 -2.420 -0.520 -0.520 63 HG SER 0 HG SER 0 -3.803 0.411 0.411 64 H MET 1 HN MET 1 -3.342 -3.646 -3.646 65 HA MET 1 HA MET 1 -5.767 -5.069 -5.069 66 1HB MET 1 HB2 MET 1 -3.263 -6.120 -6.120 67 2HB MET 1 HB1 MET 1 -4.784 -6.910 -6.910 68 1HG MET 1 HG2 MET 1 -5.227 -7.532 -7.532 69 2HG MET 1 HG1 MET 1 -4.116 -6.334 -6.334 70 1HE MET 1 HE3 MET 1 -3.535 -8.105 -8.105 71 2HE MET 1 HE2 MET 1 -2.343 -9.372 -9.372 72 3HE MET 1 HE1 MET 1 -4.032 -9.657 -9.657 73 H GLU 2 HN GLU 2 -6.587 -6.369 -6.369 74 HA GLU 2 HA GLU 2 -6.934 -4.206 -4.206 75 1HB GLU 2 HB2 GLU 2 -8.862 -5.488 -5.488 76 2HB GLU 2 HB1 GLU 2 -8.945 -6.337 -6.337 77 1HG GLU 2 HG2 GLU 2 -9.332 -4.292 -4.292 78 2HG GLU 2 HG1 GLU 2 -8.978 -3.324 -3.324 79 H ALA 3 HN ALA 3 -7.769 -5.425 -5.425 80 HA ALA 3 HA ALA 3 -6.567 -8.008 -8.008 81 1HB ALA 3 HB1 ALA 3 -5.384 -5.523 -5.523 82 2HB ALA 3 HB3 ALA 3 -5.122 -7.119 -7.119 83 3HB ALA 3 HB2 ALA 3 -4.592 -6.781 -6.781 84 H ILE 4 HN ILE 4 -8.085 -8.938 -8.938 85 HA ILE 4 HA ILE 4 -10.162 -7.646 -7.646 86 HB ILE 4 HB ILE 4 -10.440 -9.827 -9.827 87 1HG1 ILE 4 HG12 ILE 4 -10.607 -10.659 -10.659 88 2HG1 ILE 4 HG11 ILE 4 -11.275 -9.050 -9.050 89 1HG2 ILE 4 HG23 ILE 4 -7.917 -10.359 -10.359 90 2HG2 ILE 4 HG22 ILE 4 -8.860 -11.217 -11.217 91 3HG2 ILE 4 HG21 ILE 4 -9.070 -11.595 -11.595 92 1HD1 ILE 4 HD13 ILE 4 -11.937 -11.345 -11.345 93 2HD1 ILE 4 HD12 ILE 4 -12.825 -11.068 -11.068 94 3HD1 ILE 4 HD11 ILE 4 -12.811 -9.834 -9.834 95 H ALA 5 HN ALA 5 -10.146 -6.717 -6.717 96 HA ALA 5 HA ALA 5 -7.954 -7.119 -7.119 97 1HB ALA 5 HB3 ALA 5 -10.522 -5.515 -5.515 98 2HB ALA 5 HB2 ALA 5 -9.462 -5.669 -5.669 99 3HB ALA 5 HB1 ALA 5 -8.866 -4.909 -4.909 100 H LYS 6 HN LYS 6 -8.054 -9.213 -9.213 101 HA LYS 6 HA LYS 6 -10.362 -10.764 -10.764 102 1HB LYS 6 HB2 LYS 6 -7.714 -10.864 -10.864 103 2HB LYS 6 HB1 LYS 6 -8.916 -12.150 -12.150 104 1HG LYS 6 HG2 LYS 6 -8.495 -12.637 -12.637 105 2HG LYS 6 HG1 LYS 6 -7.809 -11.044 -11.044 106 1HD LYS 6 HD2 LYS 6 -5.942 -12.514 -12.514 107 2HD LYS 6 HD1 LYS 6 -5.928 -11.689 -11.689 108 1HE LYS 6 HE2 LYS 6 -7.283 -13.659 -13.659 109 2HE LYS 6 HE1 LYS 6 -6.918 -14.486 -14.486 110 1HZ LYS 6 HZ2 LYS 6 -4.889 -13.376 -13.376 111 2HZ LYS 6 HZ1 LYS 6 -5.326 -15.015 -15.015 112 3HZ LYS 6 HZ3 LYS 6 -4.578 -14.258 -14.258 113 H TYR 7 HN TYR 7 -8.788 -8.308 -8.308 114 HA TYR 7 HA TYR 7 -11.083 -8.510 -8.510 115 1HB TYR 7 HB2 TYR 7 -8.244 -8.229 -8.229 116 2HB TYR 7 HB1 TYR 7 -9.701 -8.452 -8.452 117 HD1 TYR 7 HD1 TYR 7 -7.635 -10.071 -10.071 118 HD2 TYR 7 HD2 TYR 7 -10.412 -10.626 -10.626 119 HE1 TYR 7 HE1 TYR 7 -7.282 -12.510 -12.510 120 HE2 TYR 7 HE2 TYR 7 -10.086 -13.083 -13.083 121 HH TYR 7 HH TYR 7 -8.087 -14.622 -14.622 122 H ASP 8 HN ASP 8 -10.601 -6.642 -6.642 123 HA ASP 8 HA ASP 8 -10.427 -4.215 -4.215 124 1HB ASP 8 HB2 ASP 8 -11.756 -3.175 -3.175 125 2HB ASP 8 HB1 ASP 8 -12.456 -4.786 -4.786 126 H PHE 9 HN PHE 9 -9.314 -2.308 -2.308 127 HA PHE 9 HA PHE 9 -7.562 -2.405 -2.405 128 1HB PHE 9 HB2 PHE 9 -6.575 -4.092 -4.092 129 2HB PHE 9 HB1 PHE 9 -5.790 -2.581 -2.581 130 HD1 PHE 9 HD1 PHE 9 -5.823 -1.496 -1.496 131 HD2 PHE 9 HD2 PHE 9 -4.506 -5.167 -5.167 132 HE1 PHE 9 HE1 PHE 9 -4.167 -1.798 -1.798 133 HE2 PHE 9 HE2 PHE 9 -2.861 -5.478 -5.478 134 HZ PHE 9 HZ PHE 9 -2.692 -3.793 -3.793 135 H LYS 10 HN LYS 10 -7.625 -0.202 -0.202 136 HA LYS 10 HA LYS 10 -7.916 1.762 1.762 137 1HB LYS 10 HB2 LYS 10 -8.361 1.807 1.807 138 2HB LYS 10 HB1 LYS 10 -6.824 2.667 2.667 139 1HG LYS 10 HG2 LYS 10 -8.104 3.889 3.889 140 2HG LYS 10 HG1 LYS 10 -9.500 3.458 3.458 141 1HD LYS 10 HD2 LYS 10 -7.056 4.930 4.930 142 2HD LYS 10 HD1 LYS 10 -8.570 5.707 5.707 143 1HE LYS 10 HE2 LYS 10 -8.894 3.448 3.448 144 2HE LYS 10 HE1 LYS 10 -7.993 4.813 4.813 145 1HZ LYS 10 HZ3 LYS 10 -9.896 6.192 6.192 146 2HZ LYS 10 HZ2 LYS 10 -10.758 4.728 4.728 147 3HZ LYS 10 HZ1 LYS 10 -10.162 5.391 5.391 148 H ALA 11 HN ALA 11 -6.407 3.520 3.520 149 HA ALA 11 HA ALA 11 -3.849 2.487 2.487 150 1HB ALA 11 HB1 ALA 11 -4.979 4.344 4.344 151 2HB ALA 11 HB3 ALA 11 -4.680 5.384 5.384 152 3HB ALA 11 HB2 ALA 11 -3.319 4.736 4.736 153 H THR 12 HN THR 12 -1.967 2.488 2.488 154 HA THR 12 HA THR 12 -2.152 3.840 3.840 155 HB THR 12 HB THR 12 -0.135 2.272 2.272 156 HG1 THR 12 HG1 THR 12 -1.327 0.873 0.873 157 1HG2 THR 12 HG22 THR 12 -2.963 1.282 1.282 158 2HG2 THR 12 HG21 THR 12 -1.739 0.378 0.378 159 3HG2 THR 12 HG23 THR 12 -2.290 1.944 1.944 160 H ALA 13 HN ALA 13 0.339 3.088 3.088 161 HA ALA 13 HA ALA 13 2.202 5.070 5.070 162 1HB ALA 13 HB2 ALA 13 1.886 3.518 3.518 163 2HB ALA 13 HB1 ALA 13 3.025 4.868 4.868 164 3HB ALA 13 HB3 ALA 13 3.215 3.493 3.493 165 H ASP 14 HN ASP 14 2.859 6.924 6.924 166 HA ASP 14 HA ASP 14 0.702 8.753 8.753 167 1HB ASP 14 HB2 ASP 14 3.214 9.055 9.055 168 2HB ASP 14 HB1 ASP 14 3.394 9.135 9.135 169 H ASP 15 HN ASP 15 2.001 6.427 6.427 170 HA ASP 15 HA ASP 15 0.538 7.645 7.645 171 1HB ASP 15 HB2 ASP 15 3.039 7.769 7.769 172 2HB ASP 15 HB1 ASP 15 3.041 6.007 6.007 173 H GLU 16 HN GLU 16 -0.330 5.644 5.644 174 HA GLU 16 HA GLU 16 -0.452 3.157 3.157 175 1HB GLU 16 HB2 GLU 16 -0.040 3.251 3.251 176 2HB GLU 16 HB1 GLU 16 -1.772 3.557 3.557 177 1HG GLU 16 HG2 GLU 16 -2.343 1.472 1.472 178 2HG GLU 16 HG1 GLU 16 -0.844 1.306 1.306 179 H LEU 17 HN LEU 17 -2.787 2.136 2.136 180 HA LEU 17 HA LEU 17 -4.722 4.279 4.279 181 1HB LEU 17 HB2 LEU 17 -3.821 3.186 3.186 182 2HB LEU 17 HB1 LEU 17 -4.341 1.625 1.625 183 HG LEU 17 HG LEU 17 -6.686 2.430 2.430 184 1HD1 LEU 17 HD11 LEU 17 -5.431 4.975 4.975 185 2HD1 LEU 17 HD13 LEU 17 -6.377 4.687 4.687 186 3HD1 LEU 17 HD12 LEU 17 -7.153 4.628 4.628 187 1HD2 LEU 17 HD23 LEU 17 -5.337 1.381 1.381 188 2HD2 LEU 17 HD22 LEU 17 -6.979 1.998 1.998 189 3HD2 LEU 17 HD21 LEU 17 -5.595 2.985 2.985 190 H SER 18 HN SER 18 -6.648 4.182 4.182 191 HA SER 18 HA SER 18 -7.190 2.064 2.064 192 1HB SER 18 HB2 SER 18 -9.085 4.154 4.154 193 2HB SER 18 HB1 SER 18 -8.811 3.447 3.447 194 HG SER 18 HG SER 18 -7.687 5.621 5.621 195 H PHE 19 HN PHE 19 -8.129 0.208 0.208 196 HA PHE 19 HA PHE 19 -10.284 0.402 0.402 197 1HB PHE 19 HB2 PHE 19 -9.565 -1.802 -1.802 198 2HB PHE 19 HB1 PHE 19 -8.309 -0.584 -0.584 199 HD1 PHE 19 HD1 PHE 19 -9.415 -3.468 -3.468 200 HD2 PHE 19 HD2 PHE 19 -6.204 -0.781 -0.781 201 HE1 PHE 19 HE1 PHE 19 -7.833 -4.892 -4.892 202 HE2 PHE 19 HE2 PHE 19 -4.627 -2.200 -2.200 203 HZ PHE 19 HZ PHE 19 -5.442 -4.258 -4.258 204 H LYS 20 HN LYS 20 -11.689 -1.601 -1.601 205 HA LYS 20 HA LYS 20 -12.079 -2.380 -2.380 206 1HB LYS 20 HB2 LYS 20 -14.147 -2.266 -2.266 207 2HB LYS 20 HB1 LYS 20 -14.445 -2.516 -2.516 208 1HG LYS 20 HG2 LYS 20 -12.904 -0.121 -0.121 209 2HG LYS 20 HG1 LYS 20 -14.258 -0.045 -0.045 210 1HD LYS 20 HD2 LYS 20 -14.644 -0.855 -0.855 211 2HD LYS 20 HD1 LYS 20 -14.664 0.840 0.840 212 1HE LYS 20 HE2 LYS 20 -16.719 0.658 0.658 213 2HE LYS 20 HE1 LYS 20 -16.325 -0.880 -0.880 214 1HZ LYS 20 HZ1 LYS 20 -16.568 -1.910 -1.910 215 2HZ LYS 20 HZ3 LYS 20 -17.184 -0.434 -0.434 216 3HZ LYS 20 HZ2 LYS 20 -18.009 -1.290 -1.290 217 H ARG 21 HN ARG 21 -13.448 -4.481 -4.481 218 HA ARG 21 HA ARG 21 -11.934 -6.528 -6.528 219 1HB ARG 21 HB2 ARG 21 -12.471 -6.997 -6.997 220 2HB ARG 21 HB1 ARG 21 -14.170 -6.618 -6.618 221 1HG ARG 21 HG2 ARG 21 -13.368 -8.695 -8.695 222 2HG ARG 21 HG1 ARG 21 -12.907 -9.156 -9.156 223 1HD ARG 21 HD2 ARG 21 -15.328 -8.227 -8.227 224 2HD ARG 21 HD1 ARG 21 -15.626 -8.652 -8.652 225 HE ARG 21 HE ARG 21 -14.831 -10.988 -10.988 226 1HH1 ARG 21 HH21 ARG 21 -13.934 -11.432 -11.432 227 2HH1 ARG 21 HH22 ARG 21 -15.276 -11.472 -11.472 228 1HH2 ARG 21 HH11 ARG 21 -17.448 -9.881 -9.881 229 2HH2 ARG 21 HH12 ARG 21 -17.265 -10.593 -10.593 230 H GLY 22 HN GLY 22 -12.458 -6.515 -6.515 231 1HA GLY 22 HA2 GLY 22 -14.044 -7.695 -7.695 232 2HA GLY 22 HA1 GLY 22 -15.345 -6.857 -6.857 233 H ASP 23 HN ASP 23 -12.748 -4.731 -4.731 234 HA ASP 23 HA ASP 23 -13.962 -3.337 -3.337 235 1HB ASP 23 HB2 ASP 23 -12.481 -2.668 -2.668 236 2HB ASP 23 HB1 ASP 23 -12.007 -1.742 -1.742 237 H ILE 24 HN ILE 24 -13.050 -4.443 -4.443 238 HA ILE 24 HA ILE 24 -10.254 -5.128 -5.128 239 HB ILE 24 HB ILE 24 -11.918 -4.695 -4.695 240 1HG1 ILE 24 HG12 ILE 24 -12.131 -6.879 -6.879 241 2HG1 ILE 24 HG11 ILE 24 -13.436 -5.968 -5.968 242 1HG2 ILE 24 HG21 ILE 24 -9.347 -5.429 -5.429 243 2HG2 ILE 24 HG23 ILE 24 -10.094 -7.010 -7.010 244 3HG2 ILE 24 HG22 ILE 24 -10.329 -6.072 -6.072 245 1HD1 ILE 24 HD12 ILE 24 -12.330 -7.163 -7.163 246 2HD1 ILE 24 HD11 ILE 24 -12.032 -8.384 -8.384 247 3HD1 ILE 24 HD13 ILE 24 -13.678 -7.838 -7.838 248 H LEU 25 HN LEU 25 -8.553 -4.044 -4.044 249 HA LEU 25 HA LEU 25 -8.998 -1.133 -1.133 250 1HB LEU 25 HB2 LEU 25 -6.499 -2.626 -2.626 251 2HB LEU 25 HB1 LEU 25 -6.690 -0.875 -0.875 252 HG LEU 25 HG LEU 25 -8.774 -1.383 -1.383 253 1HD1 LEU 25 HD12 LEU 25 -6.978 -3.803 -3.803 254 2HD1 LEU 25 HD11 LEU 25 -7.974 -3.244 -3.244 255 3HD1 LEU 25 HD13 LEU 25 -8.731 -3.763 -3.763 256 1HD2 LEU 25 HD21 LEU 25 -6.572 -0.110 -0.110 257 2HD2 LEU 25 HD23 LEU 25 -7.420 -0.756 -0.756 258 3HD2 LEU 25 HD22 LEU 25 -6.018 -1.597 -1.597 259 H LYS 26 HN LYS 26 -7.378 -0.047 -0.047 260 HA LYS 26 HA LYS 26 -6.921 -1.782 -1.782 261 1HB LYS 26 HB2 LYS 26 -8.136 0.671 0.671 262 2HB LYS 26 HB1 LYS 26 -6.473 1.166 1.166 263 1HG LYS 26 HG2 LYS 26 -6.444 0.221 0.221 264 2HG LYS 26 HG1 LYS 26 -7.494 -1.115 -1.115 265 1HD LYS 26 HD2 LYS 26 -8.707 1.602 1.602 266 2HD LYS 26 HD1 LYS 26 -8.348 0.894 0.894 267 1HE LYS 26 HE2 LYS 26 -9.612 -1.135 -1.135 268 2HE LYS 26 HE1 LYS 26 -9.981 -0.418 -0.418 269 1HZ LYS 26 HZ2 LYS 26 -10.655 0.981 0.981 270 2HZ LYS 26 HZ1 LYS 26 -11.696 -0.194 -0.194 271 3HZ LYS 26 HZ3 LYS 26 -11.320 1.193 1.193 272 H VAL 27 HN VAL 27 -4.941 -2.733 -2.733 273 HA VAL 27 HA VAL 27 -2.810 -1.704 -1.704 274 HB VAL 27 HB VAL 27 -2.420 -3.405 -3.405 275 1HG1 VAL 27 HG13 VAL 27 -0.468 -2.401 -2.401 276 2HG1 VAL 27 HG12 VAL 27 -0.961 -3.547 -3.547 277 3HG1 VAL 27 HG11 VAL 27 -0.437 -4.133 -4.133 278 1HG2 VAL 27 HG22 VAL 27 -3.770 -3.970 -3.970 279 2HG2 VAL 27 HG21 VAL 27 -3.931 -4.791 -4.791 280 3HG2 VAL 27 HG23 VAL 27 -2.569 -5.166 -5.166 281 H LEU 28 HN LEU 28 -1.818 0.162 0.162 282 HA LEU 28 HA LEU 28 -1.544 1.516 1.516 283 1HB LEU 28 HB2 LEU 28 -1.202 2.184 2.184 284 2HB LEU 28 HB1 LEU 28 -0.097 3.004 3.004 285 HG LEU 28 HG LEU 28 -1.998 3.835 3.835 286 1HD1 LEU 28 HD12 LEU 28 -3.651 2.382 2.382 287 2HD1 LEU 28 HD11 LEU 28 -4.306 3.504 3.504 288 3HD1 LEU 28 HD13 LEU 28 -3.568 1.991 1.991 289 1HD2 LEU 28 HD22 LEU 28 -1.141 5.116 5.116 290 2HD2 LEU 28 HD21 LEU 28 -2.852 5.409 5.409 291 3HD2 LEU 28 HD23 LEU 28 -2.360 4.330 4.330 292 H ASN 29 HN ASN 29 0.364 -0.349 -0.349 293 HA ASN 29 HA ASN 29 2.488 -0.650 -0.650 294 1HB ASN 29 HB2 ASN 29 2.773 1.658 1.658 295 2HB ASN 29 HB1 ASN 29 3.449 0.641 0.641 296 1HD2 ASN 29 HD22 ASN 29 5.433 0.885 0.885 297 2HD2 ASN 29 HD21 ASN 29 3.778 1.255 1.255 298 H GLU 30 HN GLU 30 4.364 -1.931 -1.931 299 HA GLU 30 HA GLU 30 3.537 -3.597 -3.597 300 1HB GLU 30 HB2 GLU 30 4.537 -5.571 -5.571 301 2HB GLU 30 HB1 GLU 30 3.090 -4.936 -4.936 302 1HG GLU 30 HG2 GLU 30 4.494 -3.626 -3.626 303 2HG GLU 30 HG1 GLU 30 5.936 -4.270 -4.270 304 H GLU 31 HN GLU 31 5.098 -1.525 -1.525 305 HA GLU 31 HA GLU 31 7.901 -2.565 -2.565 306 1HB GLU 31 HB2 GLU 31 6.760 0.223 0.223 307 2HB GLU 31 HB1 GLU 31 8.407 -0.067 -0.067 308 1HG GLU 31 HG2 GLU 31 9.025 -1.083 -1.083 309 2HG GLU 31 HG1 GLU 31 7.345 -1.119 -1.119 310 H CYS 32 HN CYS 32 8.975 -1.117 -1.117 311 HA CYS 32 HA CYS 32 9.094 -0.817 -0.817 312 1HB CYS 32 HB2 CYS 32 6.397 -0.253 -0.253 313 2HB CYS 32 HB1 CYS 32 6.334 -1.447 -1.447 314 HG CYS 32 HG CYS 32 7.600 1.387 1.387 315 H ASP 33 HN ASP 33 7.825 -2.214 -2.214 316 HA ASP 33 HA ASP 33 9.189 -4.499 -4.499 317 1HB ASP 33 HB2 ASP 33 7.271 -3.318 -3.318 318 2HB ASP 33 HB1 ASP 33 6.327 -4.643 -4.643 319 H GLN 34 HN GLN 34 8.713 -6.771 -6.771 320 HA GLN 34 HA GLN 34 7.569 -7.446 -7.446 321 1HB GLN 34 HB2 GLN 34 8.908 -9.241 -9.241 322 2HB GLN 34 HB1 GLN 34 8.519 -9.673 -9.673 323 1HG GLN 34 HG2 GLN 34 10.129 -8.200 -8.200 324 2HG GLN 34 HG1 GLN 34 10.235 -7.271 -7.271 325 1HE2 GLN 34 HE22 GLN 34 12.792 -9.289 -9.289 326 2HE2 GLN 34 HE21 GLN 34 11.880 -7.861 -7.861 327 H ASN 35 HN ASN 35 6.036 -6.775 -6.775 328 HA ASN 35 HA ASN 35 4.105 -8.993 -8.993 329 1HB ASN 35 HB2 ASN 35 5.262 -7.835 -7.835 330 2HB ASN 35 HB1 ASN 35 3.631 -8.509 -8.509 331 1HD2 ASN 35 HD22 ASN 35 6.260 -11.189 -11.189 332 2HD2 ASN 35 HD21 ASN 35 6.050 -9.637 -9.637 333 H TRP 36 HN TRP 36 4.539 -5.725 -5.725 334 HA TRP 36 HA TRP 36 1.599 -5.275 -5.275 335 1HB TRP 36 HB2 TRP 36 3.617 -3.115 -3.115 336 2HB TRP 36 HB1 TRP 36 1.865 -3.043 -3.043 337 HD1 TRP 36 HD1 TRP 36 4.578 -5.573 -5.573 338 HE1 TRP 36 HE1 TRP 36 4.248 -5.876 -5.876 339 HE3 TRP 36 HE3 TRP 36 0.561 -2.410 -2.410 340 HZ2 TRP 36 HZ2 TRP 36 2.618 -4.925 -4.925 341 HZ3 TRP 36 HZ3 TRP 36 -0.284 -2.135 -2.135 342 HH2 TRP 36 HH2 TRP 36 0.721 -3.395 -3.395 343 H TYR 37 HN TYR 37 0.737 -4.141 -4.141 344 HA TYR 37 HA TYR 37 2.627 -3.425 -3.425 345 1HB TYR 37 HB2 TYR 37 -0.375 -3.812 -3.812 346 2HB TYR 37 HB1 TYR 37 0.799 -3.770 -3.770 347 HD1 TYR 37 HD2 TYR 37 2.898 -5.621 -5.621 348 HD2 TYR 37 HD1 TYR 37 -1.369 -5.876 -5.876 349 HE1 TYR 37 HE2 TYR 37 3.037 -8.099 -8.099 350 HE2 TYR 37 HE1 TYR 37 -1.246 -8.335 -8.335 351 HH TYR 37 HH TYR 37 0.426 -10.095 -10.095 352 H LYS 38 HN LYS 38 0.831 -1.847 -1.847 353 HA LYS 38 HA LYS 38 0.141 0.491 0.491 354 1HB LYS 38 HB2 LYS 38 2.178 0.914 0.914 355 2HB LYS 38 HB1 LYS 38 1.198 0.552 0.552 356 1HG LYS 38 HG2 LYS 38 -0.414 2.338 2.338 357 2HG LYS 38 HG1 LYS 38 0.825 2.802 2.802 358 1HD LYS 38 HD2 LYS 38 1.729 2.485 2.485 359 2HD LYS 38 HD1 LYS 38 0.671 3.860 3.860 360 1HE LYS 38 HE2 LYS 38 2.224 4.340 4.340 361 2HE LYS 38 HE1 LYS 38 3.359 3.241 3.241 362 1HZ LYS 38 HZ3 LYS 38 2.120 5.481 5.481 363 2HZ LYS 38 HZ2 LYS 38 3.524 5.710 5.710 364 3HZ LYS 38 HZ1 LYS 38 3.533 4.619 4.619 365 H ALA 39 HN ALA 39 -1.929 1.477 1.477 366 HA ALA 39 HA ALA 39 -3.259 0.349 0.349 367 1HB ALA 39 HB2 ALA 39 -3.295 -1.579 -1.579 368 2HB ALA 39 HB1 ALA 39 -4.237 -0.608 -0.608 369 3HB ALA 39 HB3 ALA 39 -4.927 -1.005 -1.005 370 H GLU 40 HN GLU 40 -5.678 0.531 0.531 371 HA GLU 40 HA GLU 40 -6.179 3.349 3.349 372 1HB GLU 40 HB2 GLU 40 -5.997 2.169 2.169 373 2HB GLU 40 HB1 GLU 40 -7.692 1.815 1.815 374 1HG GLU 40 HG2 GLU 40 -7.015 4.596 4.596 375 2HG GLU 40 HG1 GLU 40 -6.725 4.127 4.127 376 H LEU 41 HN LEU 41 -8.316 3.844 3.844 377 HA LEU 41 HA LEU 41 -10.246 1.768 1.768 378 1HB LEU 41 HB2 LEU 41 -8.947 3.453 3.453 379 2HB LEU 41 HB1 LEU 41 -10.689 3.154 3.154 380 HG LEU 41 HG LEU 41 -8.786 0.938 0.938 381 1HD1 LEU 41 HD11 LEU 41 -8.962 2.455 2.455 382 2HD1 LEU 41 HD13 LEU 41 -9.521 0.806 0.806 383 3HD1 LEU 41 HD12 LEU 41 -7.911 1.095 1.095 384 1HD2 LEU 41 HD22 LEU 41 -11.359 0.887 0.887 385 2HD2 LEU 41 HD21 LEU 41 -10.595 -0.440 -0.440 386 3HD2 LEU 41 HD23 LEU 41 -11.393 0.863 0.863 387 H ASN 42 HN ASN 42 -11.354 2.434 2.434 388 HA ASN 42 HA ASN 42 -12.796 3.770 3.770 389 1HB ASN 42 HB2 ASN 42 -13.478 4.006 4.006 390 2HB ASN 42 HB1 ASN 42 -14.305 5.093 5.093 391 1HD2 ASN 42 HD22 ASN 42 -15.624 2.154 2.154 392 2HD2 ASN 42 HD21 ASN 42 -14.700 3.528 3.528 393 H GLY 43 HN GLY 43 -10.169 5.166 5.166 394 1HA GLY 43 HA2 GLY 43 -10.108 7.500 7.500 395 2HA GLY 43 HA1 GLY 43 -11.114 7.993 7.993 396 H LYS 44 HN LYS 44 -9.820 6.669 6.669 397 HA LYS 44 HA LYS 44 -7.503 8.309 8.309 398 1HB LYS 44 HB2 LYS 44 -9.061 6.368 6.368 399 2HB LYS 44 HB1 LYS 44 -7.393 6.717 6.717 400 1HG LYS 44 HG2 LYS 44 -7.810 8.942 8.942 401 2HG LYS 44 HG1 LYS 44 -9.221 8.990 8.990 402 1HD LYS 44 HD2 LYS 44 -9.110 7.445 7.445 403 2HD LYS 44 HD1 LYS 44 -9.812 9.055 9.055 404 1HE LYS 44 HE2 LYS 44 -11.174 7.927 7.927 405 2HE LYS 44 HE1 LYS 44 -10.795 6.440 6.440 406 1HZ LYS 44 HZ1 LYS 44 -11.697 7.506 7.506 407 2HZ LYS 44 HZ3 LYS 44 -12.187 8.829 8.829 408 3HZ LYS 44 HZ2 LYS 44 -12.860 7.294 7.294 409 H ASP 45 HN ASP 45 -5.697 6.853 6.853 410 HA ASP 45 HA ASP 45 -5.209 4.407 4.407 411 1HB ASP 45 HB2 ASP 45 -3.942 6.980 6.980 412 2HB ASP 45 HB1 ASP 45 -2.967 5.514 5.514 413 H GLY 46 HN GLY 46 -2.728 3.770 3.770 414 1HA GLY 46 HA2 GLY 46 -0.905 4.587 4.587 415 2HA GLY 46 HA1 GLY 46 -2.190 4.432 4.432 416 H PHE 47 HN PHE 47 0.107 3.059 3.059 417 HA PHE 47 HA PHE 47 0.195 0.453 0.453 418 1HB PHE 47 HB2 PHE 47 1.326 1.380 1.380 419 2HB PHE 47 HB1 PHE 47 1.828 -0.052 -0.052 420 HD1 PHE 47 HD2 PHE 47 2.194 0.630 0.630 421 HD2 PHE 47 HD1 PHE 47 2.836 3.133 3.133 422 HE1 PHE 47 HE2 PHE 47 3.786 2.009 2.009 423 HE2 PHE 47 HE1 PHE 47 4.430 4.513 4.513 424 HZ PHE 47 HZ PHE 47 4.905 3.951 3.951 425 H ILE 48 HN ILE 48 -0.273 -1.636 -1.636 426 HA ILE 48 HA ILE 48 -1.994 -1.590 -1.590 427 HB ILE 48 HB ILE 48 -3.682 -3.049 -3.049 428 1HG1 ILE 48 HG12 ILE 48 -2.192 -2.078 -2.078 429 2HG1 ILE 48 HG11 ILE 48 -2.169 -3.733 -3.733 430 1HG2 ILE 48 HG22 ILE 48 -3.828 -0.498 -0.498 431 2HG2 ILE 48 HG21 ILE 48 -3.406 -0.370 -0.370 432 3HG2 ILE 48 HG23 ILE 48 -4.882 -1.203 -1.203 433 1HD1 ILE 48 HD12 ILE 48 -4.877 -3.180 -3.180 434 2HD1 ILE 48 HD11 ILE 48 -4.229 -2.346 -2.346 435 3HD1 ILE 48 HD13 ILE 48 -3.952 -4.075 -4.075 436 HA PRO 49 HA PRO 49 0.499 -5.249 -5.249 437 1HB PRO 49 HB2 PRO 49 -0.987 -6.423 -6.423 438 2HB PRO 49 HB1 PRO 49 0.206 -5.142 -5.142 439 1HG PRO 49 HG2 PRO 49 -2.795 -4.955 -4.955 440 2HG PRO 49 HG1 PRO 49 -1.643 -3.975 -3.975 441 1HD PRO 49 HD2 PRO 49 -2.853 -3.100 -3.100 442 2HD PRO 49 HD1 PRO 49 -1.353 -2.461 -2.461 443 H LYS 50 HN LYS 50 0.271 -6.565 -6.565 444 HA LYS 50 HA LYS 50 -1.910 -7.673 -7.673 445 1HB LYS 50 HB2 LYS 50 0.337 -7.772 -7.772 446 2HB LYS 50 HB1 LYS 50 0.855 -8.775 -8.775 447 1HG LYS 50 HG2 LYS 50 -1.143 -10.325 -10.325 448 2HG LYS 50 HG1 LYS 50 -0.576 -9.531 -9.531 449 1HD LYS 50 HD2 LYS 50 1.717 -10.205 -10.205 450 2HD LYS 50 HD1 LYS 50 1.229 -10.894 -10.894 451 1HE LYS 50 HE2 LYS 50 -0.443 -12.282 -12.282 452 2HE LYS 50 HE1 LYS 50 0.785 -11.944 -11.944 453 1HZ LYS 50 HZ1 LYS 50 2.443 -12.782 -12.782 454 2HZ LYS 50 HZ3 LYS 50 1.137 -13.337 -13.337 455 3HZ LYS 50 HZ2 LYS 50 1.392 -13.959 -13.959 456 H ASN 51 HN ASN 51 -0.731 -8.701 -8.701 457 HA ASN 51 HA ASN 51 -1.623 -11.304 -11.304 458 1HB ASN 51 HB2 ASN 51 -1.085 -9.244 -9.244 459 2HB ASN 51 HB1 ASN 51 -1.985 -10.614 -10.614 460 1HD2 ASN 51 HD22 ASN 51 0.788 -12.886 -12.886 461 2HD2 ASN 51 HD21 ASN 51 -0.883 -12.792 -12.792 462 H TYR 52 HN TYR 52 -3.371 -8.354 -8.354 463 HA TYR 52 HA TYR 52 -5.903 -9.815 -9.815 464 1HB TYR 52 HB2 TYR 52 -5.168 -6.884 -6.884 465 2HB TYR 52 HB1 TYR 52 -6.811 -7.445 -7.445 466 HD1 TYR 52 HD1 TYR 52 -4.429 -9.712 -9.712 467 HD2 TYR 52 HD2 TYR 52 -6.719 -6.140 -6.140 468 HE1 TYR 52 HE1 TYR 52 -4.170 -9.892 -9.892 469 HE2 TYR 52 HE2 TYR 52 -6.464 -6.322 -6.322 470 HH TYR 52 HH TYR 52 -4.571 -7.514 -7.514 471 H ILE 53 HN ILE 53 -4.500 -9.941 -9.941 472 HA ILE 53 HA ILE 53 -6.517 -8.869 -8.869 473 HB ILE 53 HB ILE 53 -3.861 -8.160 -8.160 474 1HG1 ILE 53 HG12 ILE 53 -5.253 -6.434 -6.434 475 2HG1 ILE 53 HG11 ILE 53 -3.817 -7.400 -7.400 476 1HG2 ILE 53 HG21 ILE 53 -6.650 -7.207 -7.207 477 2HG2 ILE 53 HG23 ILE 53 -5.377 -6.025 -6.025 478 3HG2 ILE 53 HG22 ILE 53 -5.449 -7.461 -7.461 479 1HD1 ILE 53 HD13 ILE 53 -3.440 -5.838 -5.838 480 2HD1 ILE 53 HD12 ILE 53 -3.914 -4.802 -4.802 481 3HD1 ILE 53 HD11 ILE 53 -2.500 -5.831 -5.831 482 H GLU 54 HN GLU 54 -5.993 -9.339 -9.339 483 HA GLU 54 HA GLU 54 -4.244 -11.508 -11.508 484 1HB GLU 54 HB2 GLU 54 -7.009 -11.970 -11.970 485 2HB GLU 54 HB1 GLU 54 -6.670 -12.311 -12.311 486 1HG GLU 54 HG2 GLU 54 -4.755 -13.359 -13.359 487 2HG GLU 54 HG1 GLU 54 -6.316 -14.169 -14.169 488 H MET 55 HN MET 55 -4.215 -11.890 -11.890 489 HA MET 55 HA MET 55 -4.589 -9.258 -9.258 490 1HB MET 55 HB2 MET 55 -2.429 -10.847 -10.847 491 2HB MET 55 HB1 MET 55 -3.203 -11.472 -11.472 492 1HG MET 55 HG2 MET 55 -3.201 -9.315 -9.315 493 2HG MET 55 HG1 MET 55 -2.763 -8.514 -8.514 494 1HE MET 55 HE2 MET 55 -1.196 -7.310 -7.310 495 2HE MET 55 HE1 MET 55 0.504 -7.765 -7.765 496 3HE MET 55 HE3 MET 55 -0.282 -7.495 -7.495 497 H LYS 56 HN LYS 56 -6.466 -9.002 -9.002 498 HA LYS 56 HA LYS 56 -7.644 -11.255 -11.255 499 1HB LYS 56 HB2 LYS 56 -8.635 -8.711 -8.711 500 2HB LYS 56 HB1 LYS 56 -9.421 -9.358 -9.358 501 1HG LYS 56 HG2 LYS 56 -9.861 -11.463 -11.463 502 2HG LYS 56 HG1 LYS 56 -8.889 -10.966 -10.966 503 1HD LYS 56 HD2 LYS 56 -11.331 -10.727 -10.727 504 2HD LYS 56 HD1 LYS 56 -10.491 -9.179 -9.179 505 1HE LYS 56 HE2 LYS 56 -12.598 -8.996 -8.996 506 2HE LYS 56 HE1 LYS 56 -11.187 -8.670 -8.670 507 1HZ LYS 56 HZ1 LYS 56 -12.285 -11.397 -11.397 508 2HZ LYS 56 HZ3 LYS 56 -13.006 -10.265 -10.265 509 3HZ LYS 56 HZ2 LYS 56 -11.375 -10.689 -10.689 510 HA PRO 57 HA PRO 57 -6.478 -9.784 -9.784 511 1HB PRO 57 HB2 PRO 57 -8.558 -10.508 -10.508 512 2HB PRO 57 HB1 PRO 57 -7.321 -11.620 -11.620 513 1HG PRO 57 HG2 PRO 57 -10.111 -11.246 -11.246 514 2HG PRO 57 HG1 PRO 57 -9.090 -12.671 -12.671 515 1HD PRO 57 HD2 PRO 57 -9.659 -10.944 -10.944 516 2HD PRO 57 HD1 PRO 57 -8.350 -12.145 -12.145 517 H HIS 58 HN HIS 58 -9.904 -9.237 -9.237 518 HA HIS 58 HA HIS 58 -9.294 -6.314 -6.314 519 1HB HIS 58 HB2 HIS 58 -11.233 -7.952 -7.952 520 2HB HIS 58 HB1 HIS 58 -10.916 -6.228 -6.228 521 HD1 HIS 58 HD1 HIS 58 -10.219 -8.816 -8.816 522 HD2 HIS 58 HD2 HIS 58 -7.592 -6.379 -6.379 523 HE1 HIS 58 HE1 HIS 58 -7.970 -9.003 -9.003 524 HA PRO 59 HA PRO 59 -12.717 -5.599 -5.599 525 1HB PRO 59 HB2 PRO 59 -13.458 -3.076 -3.076 526 2HB PRO 59 HB1 PRO 59 -12.010 -3.414 -3.414 527 1HG PRO 59 HG2 PRO 59 -12.213 -2.678 -2.678 528 2HG PRO 59 HG1 PRO 59 -10.863 -2.444 -2.444 529 1HD PRO 59 HD2 PRO 59 -11.072 -4.483 -4.483 530 2HD PRO 59 HD1 PRO 59 -9.872 -4.402 -4.402 531 H GLU 60 HN GLU 60 -13.199 -5.892 -5.892 532 HA GLU 60 HA GLU 60 -15.104 -6.402 -6.402 533 1HB GLU 60 HB2 GLU 60 -15.609 -7.509 -7.509 534 2HB GLU 60 HB1 GLU 60 -17.015 -6.476 -6.476 535 1HG GLU 60 HG2 GLU 60 -17.813 -8.272 -8.272 536 2HG GLU 60 HG1 GLU 60 -16.810 -7.625 -7.625 537 H PHE 61 HN PHE 61 -16.807 -5.216 -5.216 538 HA PHE 61 HA PHE 61 -16.857 -2.400 -2.400 539 1HB PHE 61 HB2 PHE 61 -17.976 -4.227 -4.227 540 2HB PHE 61 HB1 PHE 61 -19.284 -3.204 -3.204 541 HD1 PHE 61 HD2 PHE 61 -18.162 -0.626 -0.626 542 HD2 PHE 61 HD1 PHE 61 -17.151 -3.423 -3.423 543 HE1 PHE 61 HE2 PHE 61 -17.341 1.238 1.238 544 HE2 PHE 61 HE1 PHE 61 -16.330 -1.558 -1.558 545 HZ PHE 61 HZ PHE 61 -16.425 0.772 0.772 546 H ILE 62 HN ILE 62 -19.607 -1.724 -1.724 547 HA ILE 62 HA ILE 62 -20.295 -2.367 -2.367 548 HB ILE 62 HB ILE 62 -20.098 0.028 0.028 549 1HG1 ILE 62 HG12 ILE 62 -23.041 -0.354 -0.354 550 2HG1 ILE 62 HG11 ILE 62 -21.963 -1.053 -1.053 551 1HG2 ILE 62 HG22 ILE 62 -22.225 -0.723 -0.723 552 2HG2 ILE 62 HG21 ILE 62 -22.001 0.940 0.940 553 3HG2 ILE 62 HG23 ILE 62 -20.690 0.097 0.097 554 1HD1 ILE 62 HD11 ILE 62 -20.820 1.237 1.237 555 2HD1 ILE 62 HD13 ILE 62 -22.199 1.846 1.846 556 3HD1 ILE 62 HD12 ILE 62 -22.442 1.150 1.150 557 H VAL 63 HN VAL 63 -20.773 -4.398 -4.398 558 HA VAL 63 HA VAL 63 -22.444 -5.742 -5.742 559 HB VAL 63 HB VAL 63 -24.190 -6.355 -6.355 560 1HG1 VAL 63 HG13 VAL 63 -21.593 -6.662 -6.662 561 2HG1 VAL 63 HG12 VAL 63 -21.932 -5.607 -5.607 562 3HG1 VAL 63 HG11 VAL 63 -22.781 -7.146 -7.146 563 1HG2 VAL 63 HG22 VAL 63 -24.815 -3.970 -3.970 564 2HG2 VAL 63 HG21 VAL 63 -24.691 -5.049 -5.049 565 3HG2 VAL 63 HG23 VAL 63 -23.386 -3.917 -3.917 566 H THR 64 HN THR 64 -25.299 -5.552 -5.552 567 HA THR 64 HA THR 64 -25.784 -3.081 -3.081 568 HB THR 64 HB THR 64 -27.286 -5.702 -5.702 569 HG1 THR 64 HG1 THR 64 -25.290 -6.169 -6.169 570 1HG2 THR 64 HG22 THR 64 -27.346 -3.055 -3.055 571 2HG2 THR 64 HG21 THR 64 -27.604 -4.489 -4.489 572 3HG2 THR 64 HG23 THR 64 -28.670 -4.160 -4.160 573 H ASP 65 HN ASP 65 -27.311 -5.438 -5.438 574 HA ASP 65 HA ASP 65 -29.041 -3.210 -3.210 575 1HB ASP 65 HB2 ASP 65 -30.132 -5.108 -5.108 576 2HB ASP 65 HB1 ASP 65 -30.032 -6.042 -6.042 577 1H SER 1 HT3 SER 1 -9.848 -16.663 -16.663 578 2H SER 1 HT2 SER 1 -9.361 -18.270 -18.270 579 3H SER 1 HT1 SER 1 -8.363 -17.204 -17.204 580 HA SER 1 HA SER 1 -7.348 -17.240 -17.240 581 1HB SER 1 HB2 SER 1 -9.674 -18.338 -18.338 582 2HB SER 1 HB1 SER 1 -9.806 -16.738 -16.738 583 HG SER 1 HG SER 1 -8.320 -17.299 -17.299 584 HA PRO 2 HA PRO 2 -7.480 -12.810 -12.810 585 1HB PRO 2 HB2 PRO 2 -5.732 -12.307 -12.307 586 2HB PRO 2 HB1 PRO 2 -5.216 -12.822 -12.822 587 1HG PRO 2 HG2 PRO 2 -5.298 -14.402 -14.402 588 2HG PRO 2 HG1 PRO 2 -4.284 -14.636 -14.636 589 1HD PRO 2 HD2 PRO 2 -6.610 -16.127 -16.127 590 2HD PRO 2 HD1 PRO 2 -5.755 -16.149 -16.149 591 H LEU 3 HN LEU 3 -7.544 -10.979 -10.979 592 HA LEU 3 HA LEU 3 -9.279 -11.861 -11.861 593 1HB LEU 3 HB2 LEU 3 -10.556 -11.063 -11.063 594 2HB LEU 3 HB1 LEU 3 -10.227 -9.476 -9.476 595 HG LEU 3 HG LEU 3 -12.417 -10.291 -10.291 596 1HD1 LEU 3 HD13 LEU 3 -10.923 -8.959 -8.959 597 2HD1 LEU 3 HD12 LEU 3 -10.426 -10.484 -10.484 598 3HD1 LEU 3 HD11 LEU 3 -12.112 -9.967 -9.967 599 1HD2 LEU 3 HD21 LEU 3 -11.388 -12.776 -12.776 600 2HD2 LEU 3 HD23 LEU 3 -12.788 -12.388 -12.388 601 3HD2 LEU 3 HD22 LEU 3 -11.183 -12.483 -12.483 602 H LEU 4 HN LEU 4 -7.345 -11.227 -11.227 603 HA LEU 4 HA LEU 4 -6.095 -9.714 -9.714 604 1HB LEU 4 HB2 LEU 4 -8.727 -8.410 -8.410 605 2HB LEU 4 HB1 LEU 4 -7.419 -7.341 -7.341 606 HG LEU 4 HG LEU 4 -7.003 -9.414 -9.414 607 1HD1 LEU 4 HD13 LEU 4 -9.970 -9.337 -9.337 608 2HD1 LEU 4 HD12 LEU 4 -9.303 -10.041 -10.041 609 3HD1 LEU 4 HD11 LEU 4 -8.893 -10.730 -10.730 610 1HD2 LEU 4 HD23 LEU 4 -7.315 -6.969 -6.969 611 2HD2 LEU 4 HD22 LEU 4 -8.068 -8.041 -8.041 612 3HD2 LEU 4 HD21 LEU 4 -9.058 -7.233 -7.233 613 HA PRO 5 HA PRO 5 -4.520 -7.649 -7.649 614 1HB PRO 5 HB2 PRO 5 -2.014 -8.780 -8.780 615 2HB PRO 5 HB1 PRO 5 -3.404 -9.508 -9.508 616 1HG PRO 5 HG2 PRO 5 -2.117 -10.312 -10.312 617 2HG PRO 5 HG1 PRO 5 -3.039 -11.297 -11.297 618 1HD PRO 5 HD2 PRO 5 -4.019 -10.253 -10.253 619 2HD PRO 5 HD1 PRO 5 -5.000 -10.956 -10.956 620 H LYS 6 HN LYS 6 -1.801 -8.385 -8.385 621 HA LYS 6 HA LYS 6 -1.823 -5.622 -5.622 622 1HB LYS 6 HB2 LYS 6 0.102 -6.680 -6.680 623 2HB LYS 6 HB1 LYS 6 0.791 -5.750 -5.750 624 1HG LYS 6 HG2 LYS 6 -1.568 -4.758 -4.758 625 2HG LYS 6 HG1 LYS 6 0.100 -4.405 -4.405 626 1HD LYS 6 HD2 LYS 6 0.493 -3.136 -3.136 627 2HD LYS 6 HD1 LYS 6 -0.862 -3.864 -3.864 628 1HE LYS 6 HE2 LYS 6 -2.265 -2.775 -2.775 629 2HE LYS 6 HE1 LYS 6 -0.875 -1.694 -1.694 630 1HZ LYS 6 HZ3 LYS 6 -2.105 -2.282 -2.282 631 2HZ LYS 6 HZ2 LYS 6 -2.832 -1.142 -1.142 632 3HZ LYS 6 HZ1 LYS 6 -1.236 -0.911 -0.911 633 H LEU 7 HN LEU 7 0.523 -5.511 -5.511 634 HA LEU 7 HA LEU 7 1.146 -8.053 -8.053 635 1HB LEU 7 HB2 LEU 7 -0.943 -6.550 -6.550 636 2HB LEU 7 HB1 LEU 7 0.436 -6.012 -6.012 637 HG LEU 7 HG LEU 7 -0.205 -8.934 -8.934 638 1HD1 LEU 7 HD12 LEU 7 -1.896 -7.339 -7.339 639 2HD1 LEU 7 HD11 LEU 7 -0.717 -7.608 -7.608 640 3HD1 LEU 7 HD13 LEU 7 -1.540 -8.980 -8.980 641 1HD2 LEU 7 HD23 LEU 7 2.130 -8.322 -8.322 642 2HD2 LEU 7 HD22 LEU 7 1.321 -9.259 -9.259 643 3HD2 LEU 7 HD21 LEU 7 1.503 -7.513 -7.513 644 HA PRO 8 HA PRO 8 4.597 -4.984 -4.984 645 1HB PRO 8 HB2 PRO 8 6.429 -6.662 -6.662 646 2HB PRO 8 HB1 PRO 8 5.298 -5.655 -5.655 647 1HG PRO 8 HG2 PRO 8 5.234 -8.600 -8.600 648 2HG PRO 8 HG1 PRO 8 4.532 -7.659 -7.659 649 1HD PRO 8 HD2 PRO 8 3.126 -8.714 -8.714 650 2HD PRO 8 HD1 PRO 8 2.497 -7.553 -7.553 651 HA PRO 9 HA PRO 9 6.638 -6.710 -6.710 652 1HB PRO 9 HB2 PRO 9 9.005 -5.314 -5.314 653 2HB PRO 9 HB1 PRO 9 7.455 -4.609 -4.609 654 1HG PRO 9 HG2 PRO 9 8.990 -4.185 -4.185 655 2HG PRO 9 HG1 PRO 9 7.817 -3.117 -3.117 656 1HD PRO 9 HD2 PRO 9 7.318 -4.775 -4.775 657 2HD PRO 9 HD1 PRO 9 6.098 -3.923 -3.923 658 H LYS 10 HN LYS 10 7.676 -7.468 -7.468 659 HA LYS 10 HA LYS 10 10.075 -8.968 -8.968 660 1HB LYS 10 HB2 LYS 10 10.209 -7.463 -7.463 661 2HB LYS 10 HB1 LYS 10 9.127 -8.600 -8.600 662 1HG LYS 10 HG2 LYS 10 10.969 -10.332 -10.332 663 2HG LYS 10 HG1 LYS 10 11.986 -8.911 -8.911 664 1HD LYS 10 HD2 LYS 10 11.772 -8.978 -8.978 665 2HD LYS 10 HD1 LYS 10 10.114 -9.577 -9.577 666 1HE LYS 10 HE2 LYS 10 10.959 -11.806 -11.806 667 2HE LYS 10 HE1 LYS 10 12.612 -11.204 -11.204 668 1HZ LYS 10 HZ1 LYS 10 12.031 -10.594 -10.594 669 2HZ LYS 10 HZ3 LYS 10 10.629 -11.527 -11.527 670 3HZ LYS 10 HZ2 LYS 10 12.156 -12.256 -12.256 671 H THR 11 HN THR 11 7.475 -9.602 -9.602 672 HA THR 11 HA THR 11 7.074 -12.272 -12.272 673 HB THR 11 HB THR 11 8.512 -12.717 -12.717 674 HG1 THR 11 HG1 THR 11 7.109 -14.002 -14.002 675 1HG2 THR 11 HG23 THR 11 7.087 -10.490 -10.490 676 2HG2 THR 11 HG22 THR 11 6.974 -11.879 -11.879 677 3HG2 THR 11 HG21 THR 11 8.554 -11.279 -11.279 678 H TYR 12 HN TYR 12 4.978 -12.201 -12.201 679 HA TYR 12 HA TYR 12 2.996 -10.803 -10.803 680 1HB TYR 12 HB2 TYR 12 1.509 -10.991 -10.991 681 2HB TYR 12 HB1 TYR 12 2.883 -9.895 -9.895 682 HD1 TYR 12 HD1 TYR 12 1.492 -13.134 -13.134 683 HD2 TYR 12 HD2 TYR 12 4.826 -10.440 -10.440 684 HE1 TYR 12 HE1 TYR 12 2.334 -14.393 -14.393 685 HE2 TYR 12 HE2 TYR 12 5.667 -11.701 -11.701 686 HH TYR 12 HH TYR 12 4.014 -13.557 -13.557 687 H LYS 13 HN LYS 13 1.782 -12.087 -12.087 688 HA LYS 13 HA LYS 13 1.674 -14.978 -14.978 689 1HB LYS 13 HB2 LYS 13 1.609 -13.499 -13.499 690 2HB LYS 13 HB1 LYS 13 -0.127 -13.653 -13.653 691 1HG LYS 13 HG2 LYS 13 -0.076 -15.997 -15.997 692 2HG LYS 13 HG1 LYS 13 1.658 -16.074 -16.074 693 1HD LYS 13 HD2 LYS 13 0.827 -14.529 -14.529 694 2HD LYS 13 HD1 LYS 13 0.629 -16.280 -16.280 695 1HE LYS 13 HE2 LYS 13 2.896 -16.685 -16.685 696 2HE LYS 13 HE1 LYS 13 3.207 -15.242 -15.242 697 1HZ LYS 13 HZ2 LYS 13 2.301 -15.007 -15.007 698 2HZ LYS 13 HZ1 LYS 13 3.942 -15.274 -15.274 699 3HZ LYS 13 HZ3 LYS 13 3.164 -13.888 -13.888 700 H ARG 14 HN ARG 14 0.440 -15.483 -15.483 701 HA ARG 14 HA ARG 14 -1.921 -14.102 -14.102 702 1HB ARG 14 HB2 ARG 14 -2.367 -16.100 -16.100 703 2HB ARG 14 HB1 ARG 14 -0.684 -15.586 -15.586 704 1HG ARG 14 HG2 ARG 14 -0.106 -17.295 -17.295 705 2HG ARG 14 HG1 ARG 14 -1.769 -17.872 -17.872 706 1HD ARG 14 HD2 ARG 14 -0.478 -17.625 -17.625 707 2HD ARG 14 HD1 ARG 14 0.301 -18.797 -18.797 708 HE ARG 14 HE ARG 14 -2.507 -18.946 -18.946 709 1HH1 ARG 14 HH11 ARG 14 -1.177 -19.908 -19.908 710 2HH1 ARG 14 HH12 ARG 14 -1.259 -21.614 -21.614 711 1HH2 ARG 14 HH21 ARG 14 -2.041 -21.283 -21.283 712 2HH2 ARG 14 HH22 ARG 14 -1.745 -22.393 -22.393 713 H GLU 15 HN GLU 15 -4.112 -14.503 -14.503 714 HA GLU 15 HA GLU 15 -4.664 -16.023 -16.023 715 1HB GLU 15 HB2 GLU 15 -5.548 -13.594 -13.594 716 2HB GLU 15 HB1 GLU 15 -6.849 -14.599 -14.599 717 1HG GLU 15 HG2 GLU 15 -6.647 -15.720 -15.720 718 2HG GLU 15 HG1 GLU 15 -6.051 -14.110 -14.110 Start of MODEL 9 1 1H GLY -8 HT2 GLY -8 9.113 -0.277 -0.277 2 2H GLY -8 HT1 GLY -8 10.400 -1.372 -1.372 3 3H GLY -8 HT3 GLY -8 10.628 0.086 0.086 4 1HA GLY -8 HA1 GLY -8 8.909 -0.901 -0.901 5 2HA GLY -8 HA2 GLY -8 10.538 -1.475 -1.475 6 H SER -7 HN SER -7 8.087 -2.083 -2.083 7 HA SER -7 HA SER -7 7.304 -4.669 -4.669 8 1HB SER -7 HB2 SER -7 7.146 -3.504 -3.504 9 2HB SER -7 HB1 SER -7 5.507 -3.165 -3.165 10 HG SER -7 HG SER -7 6.808 -5.647 -5.647 11 H ARG -6 HN ARG -6 6.379 -4.631 -4.631 12 HA ARG -6 HA ARG -6 4.701 -4.338 -4.338 13 1HB ARG -6 HB2 ARG -6 3.388 -4.846 -4.846 14 2HB ARG -6 HB1 ARG -6 2.729 -3.260 -3.260 15 1HG ARG -6 HG2 ARG -6 1.290 -4.834 -4.834 16 2HG ARG -6 HG1 ARG -6 2.311 -4.180 -4.180 17 1HD ARG -6 HD2 ARG -6 3.755 -6.121 -6.121 18 2HD ARG -6 HD1 ARG -6 2.919 -6.746 -6.746 19 HE ARG -6 HE ARG -6 1.501 -6.436 -6.436 20 1HH1 ARG -6 HH11 ARG -6 -0.217 -7.390 -7.390 21 2HH1 ARG -6 HH12 ARG -6 -0.041 -9.112 -9.112 22 1HH2 ARG -6 HH21 ARG -6 2.890 -9.022 -9.022 23 2HH2 ARG -6 HH22 ARG -6 1.717 -10.036 -10.036 24 H ARG -5 HN ARG -5 3.385 -2.613 -2.613 25 HA ARG -5 HA ARG -5 4.325 0.119 0.119 26 1HB ARG -5 HB2 ARG -5 4.056 -1.172 -1.172 27 2HB ARG -5 HB1 ARG -5 4.077 0.581 0.581 28 1HG ARG -5 HG2 ARG -5 6.339 0.287 0.287 29 2HG ARG -5 HG1 ARG -5 6.217 -0.063 -0.063 30 1HD ARG -5 HD2 ARG -5 7.461 -1.872 -1.872 31 2HD ARG -5 HD1 ARG -5 5.838 -2.501 -2.501 32 HE ARG -5 HE ARG -5 5.411 -2.306 -2.306 33 1HH1 ARG -5 HH21 ARG -5 8.127 -0.471 -0.471 34 2HH1 ARG -5 HH22 ARG -5 9.067 -1.268 -1.268 35 1HH2 ARG -5 HH11 ARG -5 6.836 -3.894 -3.894 36 2HH2 ARG -5 HH12 ARG -5 8.337 -3.206 -3.206 37 H ALA -4 HN ALA -4 1.879 -1.059 -1.059 38 HA ALA -4 HA ALA -4 -0.176 0.383 0.383 39 1HB ALA -4 HB1 ALA -4 -0.264 -2.018 -2.018 40 2HB ALA -4 HB3 ALA -4 -1.715 -1.029 -1.029 41 3HB ALA -4 HB2 ALA -4 -0.997 -1.781 -1.781 42 H SER -3 HN SER -3 -0.178 -0.509 -0.509 43 HA SER -3 HA SER -3 0.090 2.276 2.276 44 1HB SER -3 HB2 SER -3 -2.495 1.028 1.028 45 2HB SER -3 HB1 SER -3 -2.089 2.731 2.731 46 HG SER -3 HG SER -3 -2.864 0.816 0.816 47 H VAL -2 HN VAL -2 -0.475 2.310 2.310 48 HA VAL -2 HA VAL -2 1.243 0.410 0.410 49 HB VAL -2 HB VAL -2 0.782 2.646 2.646 50 1HG1 VAL -2 HG12 VAL -2 -1.709 2.512 2.512 51 2HG1 VAL -2 HG11 VAL -2 -1.933 1.621 1.621 52 3HG1 VAL -2 HG13 VAL -2 -1.326 3.276 3.276 53 1HG2 VAL -2 HG23 VAL -2 1.471 0.694 0.694 54 2HG2 VAL -2 HG22 VAL -2 0.612 1.976 1.976 55 3HG2 VAL -2 HG21 VAL -2 -0.230 0.489 0.489 56 H GLY -1 HN GLY -1 -2.320 0.613 0.613 57 1HA GLY -1 HA2 GLY -1 -3.977 -0.991 -0.991 58 2HA GLY -1 HA1 GLY -1 -2.787 -2.162 -2.162 59 H SER 0 HN SER 0 -3.808 -0.351 -0.351 60 HA SER 0 HA SER 0 -2.226 -2.023 -2.023 61 1HB SER 0 HB2 SER 0 -3.847 -0.896 -0.896 62 2HB SER 0 HB1 SER 0 -2.632 0.093 0.093 63 HG SER 0 HG SER 0 -5.406 -0.072 -0.072 64 H MET 1 HN MET 1 -3.316 -3.306 -3.306 65 HA MET 1 HA MET 1 -5.777 -4.648 -4.648 66 1HB MET 1 HB2 MET 1 -3.229 -5.764 -5.764 67 2HB MET 1 HB1 MET 1 -4.729 -6.603 -6.603 68 1HG MET 1 HG2 MET 1 -5.153 -7.201 -7.201 69 2HG MET 1 HG1 MET 1 -4.359 -5.777 -5.777 70 1HE MET 1 HE2 MET 1 -2.912 -5.995 -5.995 71 2HE MET 1 HE1 MET 1 -1.392 -5.829 -5.829 72 3HE MET 1 HE3 MET 1 -1.634 -7.183 -7.183 73 H GLU 2 HN GLU 2 -6.486 -6.142 -6.142 74 HA GLU 2 HA GLU 2 -6.778 -4.070 -4.070 75 1HB GLU 2 HB2 GLU 2 -8.756 -5.306 -5.306 76 2HB GLU 2 HB1 GLU 2 -8.835 -6.124 -6.124 77 1HG GLU 2 HG2 GLU 2 -9.282 -4.119 -4.119 78 2HG GLU 2 HG1 GLU 2 -8.719 -3.118 -3.118 79 H ALA 3 HN ALA 3 -7.531 -5.328 -5.328 80 HA ALA 3 HA ALA 3 -6.371 -7.959 -7.959 81 1HB ALA 3 HB3 ALA 3 -4.836 -5.664 -5.664 82 2HB ALA 3 HB2 ALA 3 -5.185 -6.477 -6.477 83 3HB ALA 3 HB1 ALA 3 -4.408 -7.362 -7.362 84 H ILE 4 HN ILE 4 -7.893 -8.942 -8.942 85 HA ILE 4 HA ILE 4 -10.011 -7.793 -7.793 86 HB ILE 4 HB ILE 4 -10.170 -9.972 -9.972 87 1HG1 ILE 4 HG12 ILE 4 -10.367 -10.863 -10.863 88 2HG1 ILE 4 HG11 ILE 4 -11.106 -9.285 -9.285 89 1HG2 ILE 4 HG21 ILE 4 -7.660 -10.416 -10.416 90 2HG2 ILE 4 HG23 ILE 4 -8.541 -11.276 -11.276 91 3HG2 ILE 4 HG22 ILE 4 -8.770 -11.715 -11.715 92 1HD1 ILE 4 HD13 ILE 4 -11.612 -11.553 -11.553 93 2HD1 ILE 4 HD12 ILE 4 -12.529 -11.398 -11.398 94 3HD1 ILE 4 HD11 ILE 4 -12.581 -10.111 -10.111 95 H ALA 5 HN ALA 5 -10.068 -6.895 -6.895 96 HA ALA 5 HA ALA 5 -7.910 -7.201 -7.201 97 1HB ALA 5 HB2 ALA 5 -10.629 -5.855 -5.855 98 2HB ALA 5 HB1 ALA 5 -9.508 -5.898 -5.898 99 3HB ALA 5 HB3 ALA 5 -9.052 -5.074 -5.074 100 H LYS 6 HN LYS 6 -7.860 -9.340 -9.340 101 HA LYS 6 HA LYS 6 -10.037 -11.075 -11.075 102 1HB LYS 6 HB2 LYS 6 -7.391 -11.043 -11.043 103 2HB LYS 6 HB1 LYS 6 -8.494 -12.412 -12.412 104 1HG LYS 6 HG2 LYS 6 -8.039 -12.740 -12.740 105 2HG LYS 6 HG1 LYS 6 -7.449 -11.096 -11.096 106 1HD LYS 6 HD2 LYS 6 -5.499 -12.446 -12.446 107 2HD LYS 6 HD1 LYS 6 -5.543 -11.729 -11.729 108 1HE LYS 6 HE2 LYS 6 -6.932 -14.349 -14.349 109 2HE LYS 6 HE1 LYS 6 -5.172 -14.347 -14.347 110 1HZ LYS 6 HZ1 LYS 6 -5.640 -12.857 -12.857 111 2HZ LYS 6 HZ3 LYS 6 -7.144 -13.638 -13.638 112 3HZ LYS 6 HZ2 LYS 6 -5.719 -14.550 -14.550 113 H TYR 7 HN TYR 7 -8.709 -8.543 -8.543 114 HA TYR 7 HA TYR 7 -10.927 -9.042 -9.042 115 1HB TYR 7 HB2 TYR 7 -8.099 -8.537 -8.537 116 2HB TYR 7 HB1 TYR 7 -9.501 -8.960 -8.960 117 HD1 TYR 7 HD2 TYR 7 -10.717 -11.233 -11.233 118 HD2 TYR 7 HD1 TYR 7 -6.598 -10.220 -10.220 119 HE1 TYR 7 HE2 TYR 7 -10.169 -13.638 -13.638 120 HE2 TYR 7 HE1 TYR 7 -6.048 -12.615 -12.615 121 HH TYR 7 HH TYR 7 -7.156 -14.867 -14.867 122 H ASP 8 HN ASP 8 -10.509 -7.215 -7.215 123 HA ASP 8 HA ASP 8 -10.740 -4.706 -4.706 124 1HB ASP 8 HB2 ASP 8 -11.937 -3.892 -3.892 125 2HB ASP 8 HB1 ASP 8 -12.510 -5.530 -5.530 126 H PHE 9 HN PHE 9 -9.815 -2.724 -2.724 127 HA PHE 9 HA PHE 9 -7.762 -2.690 -2.690 128 1HB PHE 9 HB2 PHE 9 -6.870 -4.027 -4.027 129 2HB PHE 9 HB1 PHE 9 -6.215 -2.401 -2.401 130 HD1 PHE 9 HD2 PHE 9 -6.872 -4.554 -4.554 131 HD2 PHE 9 HD1 PHE 9 -3.974 -2.406 -2.406 132 HE1 PHE 9 HE2 PHE 9 -5.121 -5.091 -5.091 133 HE2 PHE 9 HE1 PHE 9 -2.225 -2.938 -2.938 134 HZ PHE 9 HZ PHE 9 -2.798 -4.282 -4.282 135 H LYS 10 HN LYS 10 -6.249 -0.664 -0.664 136 HA LYS 10 HA LYS 10 -7.619 1.371 1.371 137 1HB LYS 10 HB2 LYS 10 -7.934 2.931 2.931 138 2HB LYS 10 HB1 LYS 10 -8.620 1.405 1.405 139 1HG LYS 10 HG2 LYS 10 -5.818 2.348 2.348 140 2HG LYS 10 HG1 LYS 10 -7.218 2.538 2.538 141 1HD LYS 10 HD2 LYS 10 -7.423 -0.103 -0.103 142 2HD LYS 10 HD1 LYS 10 -5.674 0.092 0.092 143 1HE LYS 10 HE2 LYS 10 -5.453 0.695 0.695 144 2HE LYS 10 HE1 LYS 10 -7.104 1.309 1.309 145 1HZ LYS 10 HZ3 LYS 10 -7.865 -1.023 -1.023 146 2HZ LYS 10 HZ2 LYS 10 -6.249 -1.530 -1.530 147 3HZ LYS 10 HZ1 LYS 10 -6.997 -0.737 -0.737 148 H ALA 11 HN ALA 11 -6.350 3.503 3.503 149 HA ALA 11 HA ALA 11 -3.622 2.804 2.804 150 1HB ALA 11 HB1 ALA 11 -5.023 4.525 4.525 151 2HB ALA 11 HB3 ALA 11 -4.762 5.585 5.585 152 3HB ALA 11 HB2 ALA 11 -3.382 5.028 5.028 153 H THR 12 HN THR 12 -1.883 3.068 3.068 154 HA THR 12 HA THR 12 -2.468 4.408 4.408 155 HB THR 12 HB THR 12 -1.905 2.134 2.134 156 HG1 THR 12 HG1 THR 12 -0.005 2.383 2.383 157 1HG2 THR 12 HG23 THR 12 0.418 2.509 2.509 158 2HG2 THR 12 HG22 THR 12 0.142 1.070 1.070 159 3HG2 THR 12 HG21 THR 12 -1.012 1.517 1.517 160 H ALA 13 HN ALA 13 -0.066 4.071 4.071 161 HA ALA 13 HA ALA 13 1.578 6.260 6.260 162 1HB ALA 13 HB1 ALA 13 1.857 4.349 4.349 163 2HB ALA 13 HB3 ALA 13 2.772 5.860 5.860 164 3HB ALA 13 HB2 ALA 13 2.996 4.702 4.702 165 H ASP 14 HN ASP 14 2.145 8.039 8.039 166 HA ASP 14 HA ASP 14 -0.133 9.479 9.479 167 1HB ASP 14 HB2 ASP 14 2.273 10.158 10.158 168 2HB ASP 14 HB1 ASP 14 2.615 10.030 10.030 169 H ASP 15 HN ASP 15 2.017 7.284 7.284 170 HA ASP 15 HA ASP 15 0.699 7.841 7.841 171 1HB ASP 15 HB2 ASP 15 2.672 7.046 7.046 172 2HB ASP 15 HB1 ASP 15 3.185 8.146 8.146 173 H GLU 16 HN GLU 16 -0.553 6.160 6.160 174 HA GLU 16 HA GLU 16 -0.268 3.461 3.461 175 1HB GLU 16 HB2 GLU 16 0.041 3.861 3.861 176 2HB GLU 16 HB1 GLU 16 -1.707 4.053 4.053 177 1HG GLU 16 HG2 GLU 16 -2.074 1.840 1.840 178 2HG GLU 16 HG1 GLU 16 -0.857 1.705 1.705 179 H LEU 17 HN LEU 17 -2.473 2.236 2.236 180 HA LEU 17 HA LEU 17 -4.608 4.126 4.126 181 1HB LEU 17 HB2 LEU 17 -3.578 3.065 3.065 182 2HB LEU 17 HB1 LEU 17 -3.837 1.480 1.480 183 HG LEU 17 HG LEU 17 -6.322 1.989 1.989 184 1HD1 LEU 17 HD13 LEU 17 -5.578 4.553 4.553 185 2HD1 LEU 17 HD12 LEU 17 -5.857 4.047 4.047 186 3HD1 LEU 17 HD11 LEU 17 -7.153 3.923 3.923 187 1HD2 LEU 17 HD23 LEU 17 -4.556 1.412 1.412 188 2HD2 LEU 17 HD22 LEU 17 -6.038 0.601 0.601 189 3HD2 LEU 17 HD21 LEU 17 -6.126 2.055 2.055 190 H SER 18 HN SER 18 -6.777 3.470 3.470 191 HA SER 18 HA SER 18 -7.066 1.443 1.443 192 1HB SER 18 HB2 SER 18 -9.077 3.453 3.453 193 2HB SER 18 HB1 SER 18 -8.727 2.724 2.724 194 HG SER 18 HG SER 18 -7.979 5.036 5.036 195 H PHE 19 HN PHE 19 -9.121 0.219 0.219 196 HA PHE 19 HA PHE 19 -10.933 0.150 0.150 197 1HB PHE 19 HB2 PHE 19 -10.179 -1.923 -1.923 198 2HB PHE 19 HB1 PHE 19 -9.026 -0.603 -0.603 199 HD1 PHE 19 HD1 PHE 19 -9.743 -3.660 -3.660 200 HD2 PHE 19 HD2 PHE 19 -6.784 -0.804 -0.804 201 HE1 PHE 19 HE1 PHE 19 -7.962 -5.068 -5.068 202 HE2 PHE 19 HE2 PHE 19 -5.004 -2.212 -2.212 203 HZ PHE 19 HZ PHE 19 -5.593 -4.344 -4.344 204 H LYS 20 HN LYS 20 -12.222 -1.993 -1.993 205 HA LYS 20 HA LYS 20 -12.175 -3.068 -3.068 206 1HB LYS 20 HB2 LYS 20 -14.537 -2.747 -2.747 207 2HB LYS 20 HB1 LYS 20 -14.594 -3.350 -3.350 208 1HG LYS 20 HG2 LYS 20 -13.376 -0.679 -0.679 209 2HG LYS 20 HG1 LYS 20 -15.125 -0.839 -0.839 210 1HD LYS 20 HD2 LYS 20 -13.461 -2.088 -2.088 211 2HD LYS 20 HD1 LYS 20 -13.623 -0.331 -0.331 212 1HE LYS 20 HE2 LYS 20 -16.024 -2.149 -2.149 213 2HE LYS 20 HE1 LYS 20 -15.384 -1.658 -1.658 214 1HZ LYS 20 HZ3 LYS 20 -15.959 0.358 0.358 215 2HZ LYS 20 HZ2 LYS 20 -17.212 -0.245 -0.245 216 3HZ LYS 20 HZ1 LYS 20 -15.885 0.547 0.547 217 H ARG 21 HN ARG 21 -13.530 -5.223 -5.223 218 HA ARG 21 HA ARG 21 -12.078 -7.097 -7.097 219 1HB ARG 21 HB2 ARG 21 -12.763 -7.635 -7.635 220 2HB ARG 21 HB1 ARG 21 -14.457 -7.410 -7.410 221 1HG ARG 21 HG2 ARG 21 -14.234 -9.274 -9.274 222 2HG ARG 21 HG1 ARG 21 -12.586 -9.544 -9.544 223 1HD ARG 21 HD2 ARG 21 -13.328 -10.648 -10.648 224 2HD ARG 21 HD1 ARG 21 -14.440 -9.337 -9.337 225 HE ARG 21 HE ARG 21 -15.102 -11.736 -11.736 226 1HH1 ARG 21 HH11 ARG 21 -16.044 -8.690 -8.690 227 2HH1 ARG 21 HH12 ARG 21 -17.687 -8.848 -8.848 228 1HH2 ARG 21 HH21 ARG 21 -17.183 -11.924 -11.924 229 2HH2 ARG 21 HH22 ARG 21 -18.332 -10.679 -10.679 230 H GLY 22 HN GLY 22 -12.578 -7.163 -7.163 231 1HA GLY 22 HA2 GLY 22 -14.188 -8.104 -8.104 232 2HA GLY 22 HA1 GLY 22 -15.468 -7.269 -7.269 233 H ASP 23 HN ASP 23 -12.826 -5.220 -5.220 234 HA ASP 23 HA ASP 23 -13.899 -3.707 -3.707 235 1HB ASP 23 HB2 ASP 23 -13.063 -3.009 -3.009 236 2HB ASP 23 HB1 ASP 23 -11.829 -2.371 -2.371 237 H ILE 24 HN ILE 24 -12.872 -4.297 -4.297 238 HA ILE 24 HA ILE 24 -10.094 -5.203 -5.203 239 HB ILE 24 HB ILE 24 -11.665 -4.630 -4.630 240 1HG1 ILE 24 HG12 ILE 24 -11.887 -6.971 -6.971 241 2HG1 ILE 24 HG11 ILE 24 -13.194 -5.967 -5.967 242 1HG2 ILE 24 HG21 ILE 24 -9.107 -5.389 -5.389 243 2HG2 ILE 24 HG23 ILE 24 -9.867 -6.975 -6.975 244 3HG2 ILE 24 HG22 ILE 24 -10.053 -5.946 -5.946 245 1HD1 ILE 24 HD13 ILE 24 -12.254 -6.924 -6.924 246 2HD1 ILE 24 HD12 ILE 24 -11.786 -8.253 -8.253 247 3HD1 ILE 24 HD11 ILE 24 -13.478 -7.772 -7.772 248 H LEU 25 HN LEU 25 -8.315 -4.085 -4.085 249 HA LEU 25 HA LEU 25 -8.688 -1.146 -1.146 250 1HB LEU 25 HB2 LEU 25 -6.004 -2.467 -2.467 251 2HB LEU 25 HB1 LEU 25 -6.505 -0.845 -0.845 252 HG LEU 25 HG LEU 25 -6.428 -1.921 -1.921 253 1HD1 LEU 25 HD12 LEU 25 -8.858 -1.114 -1.114 254 2HD1 LEU 25 HD11 LEU 25 -9.223 -2.799 -2.799 255 3HD1 LEU 25 HD13 LEU 25 -8.572 -1.802 -1.802 256 1HD2 LEU 25 HD21 LEU 25 -6.349 -4.238 -4.238 257 2HD2 LEU 25 HD23 LEU 25 -6.514 -4.172 -4.172 258 3HD2 LEU 25 HD22 LEU 25 -7.945 -4.373 -4.373 259 H LYS 26 HN LYS 26 -7.142 0.001 0.001 260 HA LYS 26 HA LYS 26 -6.896 -1.628 -1.628 261 1HB LYS 26 HB2 LYS 26 -8.036 0.845 0.845 262 2HB LYS 26 HB1 LYS 26 -6.413 1.289 1.289 263 1HG LYS 26 HG2 LYS 26 -6.712 0.432 0.432 264 2HG LYS 26 HG1 LYS 26 -7.746 -0.879 -0.879 265 1HD LYS 26 HD2 LYS 26 -9.531 0.877 0.877 266 2HD LYS 26 HD1 LYS 26 -8.512 2.016 2.016 267 1HE LYS 26 HE2 LYS 26 -8.519 0.398 0.398 268 2HE LYS 26 HE1 LYS 26 -9.724 -0.546 -0.546 269 1HZ LYS 26 HZ2 LYS 26 -11.090 1.505 1.505 270 2HZ LYS 26 HZ1 LYS 26 -9.973 2.261 2.261 271 3HZ LYS 26 HZ3 LYS 26 -10.857 0.920 0.920 272 H VAL 27 HN VAL 27 -4.874 -2.625 -2.625 273 HA VAL 27 HA VAL 27 -2.631 -1.423 -1.423 274 HB VAL 27 HB VAL 27 -2.492 -3.506 -3.506 275 1HG1 VAL 27 HG13 VAL 27 -0.456 -2.198 -2.198 276 2HG1 VAL 27 HG12 VAL 27 -0.730 -3.473 -3.473 277 3HG1 VAL 27 HG11 VAL 27 -0.345 -3.894 -3.894 278 1HG2 VAL 27 HG21 VAL 27 -3.496 -3.597 -3.597 279 2HG2 VAL 27 HG23 VAL 27 -3.896 -4.634 -4.634 280 3HG2 VAL 27 HG22 VAL 27 -2.401 -4.899 -4.899 281 H LEU 28 HN LEU 28 -1.756 0.433 0.433 282 HA LEU 28 HA LEU 28 -1.565 1.242 1.242 283 1HB LEU 28 HB2 LEU 28 -0.196 2.670 2.670 284 2HB LEU 28 HB1 LEU 28 -0.829 3.350 3.350 285 HG LEU 28 HG LEU 28 -2.948 2.103 2.103 286 1HD1 LEU 28 HD12 LEU 28 -1.292 4.301 4.301 287 2HD1 LEU 28 HD11 LEU 28 -2.920 3.878 3.878 288 3HD1 LEU 28 HD13 LEU 28 -1.616 2.702 2.702 289 1HD2 LEU 28 HD22 LEU 28 -2.773 4.024 4.024 290 2HD2 LEU 28 HD21 LEU 28 -4.138 3.892 3.892 291 3HD2 LEU 28 HD23 LEU 28 -2.838 5.036 5.036 292 H ASN 29 HN ASN 29 0.427 0.068 0.068 293 HA ASN 29 HA ASN 29 2.648 -0.347 -0.347 294 1HB ASN 29 HB2 ASN 29 3.055 1.541 1.541 295 2HB ASN 29 HB1 ASN 29 3.161 0.261 0.261 296 1HD2 ASN 29 HD22 ASN 29 6.625 0.289 0.289 297 2HD2 ASN 29 HD21 ASN 29 5.494 0.823 0.823 298 H GLU 30 HN GLU 30 2.928 -2.491 -2.491 299 HA GLU 30 HA GLU 30 1.859 -4.422 -4.422 300 1HB GLU 30 HB2 GLU 30 3.606 -4.599 -4.599 301 2HB GLU 30 HB1 GLU 30 3.282 -6.023 -6.023 302 1HG GLU 30 HG2 GLU 30 0.945 -5.908 -5.908 303 2HG GLU 30 HG1 GLU 30 1.054 -4.259 -4.259 304 H GLU 31 HN GLU 31 2.954 -5.657 -5.657 305 HA GLU 31 HA GLU 31 4.616 -6.194 -6.194 306 1HB GLU 31 HB2 GLU 31 6.543 -5.258 -5.258 307 2HB GLU 31 HB1 GLU 31 6.904 -6.320 -6.320 308 1HG GLU 31 HG2 GLU 31 5.174 -7.926 -7.926 309 2HG GLU 31 HG1 GLU 31 5.100 -6.912 -6.912 310 H CYS 32 HN CYS 32 6.145 -5.209 -5.209 311 HA CYS 32 HA CYS 32 7.284 -2.676 -2.676 312 1HB CYS 32 HB2 CYS 32 4.356 -2.499 -2.499 313 2HB CYS 32 HB1 CYS 32 5.206 -1.731 -1.731 314 HG CYS 32 HG CYS 32 5.887 0.108 0.108 315 H ASP 33 HN ASP 33 7.680 -1.890 -1.890 316 HA ASP 33 HA ASP 33 8.782 -2.573 -2.573 317 1HB ASP 33 HB2 ASP 33 6.345 -1.725 -1.725 318 2HB ASP 33 HB1 ASP 33 6.021 -3.379 -3.379 319 H GLN 34 HN GLN 34 7.528 -4.716 -4.716 320 HA GLN 34 HA GLN 34 8.873 -6.909 -6.909 321 1HB GLN 34 HB2 GLN 34 8.499 -6.191 -6.191 322 2HB GLN 34 HB1 GLN 34 8.602 -7.909 -7.909 323 1HG GLN 34 HG2 GLN 34 10.850 -7.500 -7.500 324 2HG GLN 34 HG1 GLN 34 10.669 -7.015 -7.015 325 1HE2 GLN 34 HE22 GLN 34 12.212 -4.286 -4.286 326 2HE2 GLN 34 HE21 GLN 34 12.471 -5.963 -5.963 327 H ASN 35 HN ASN 35 5.795 -5.893 -5.893 328 HA ASN 35 HA ASN 35 4.528 -8.305 -8.305 329 1HB ASN 35 HB2 ASN 35 4.658 -7.773 -7.773 330 2HB ASN 35 HB1 ASN 35 3.162 -8.395 -8.395 331 1HD2 ASN 35 HD22 ASN 35 4.866 -11.439 -11.439 332 2HD2 ASN 35 HD21 ASN 35 3.853 -10.238 -10.238 333 H TRP 36 HN TRP 36 4.504 -5.259 -5.259 334 HA TRP 36 HA TRP 36 1.547 -4.982 -4.982 335 1HB TRP 36 HB2 TRP 36 3.355 -2.649 -2.649 336 2HB TRP 36 HB1 TRP 36 1.595 -2.706 -2.706 337 HD1 TRP 36 HD1 TRP 36 4.406 -4.985 -4.985 338 HE1 TRP 36 HE1 TRP 36 3.959 -5.237 -5.237 339 HE3 TRP 36 HE3 TRP 36 0.165 -2.076 -2.076 340 HZ2 TRP 36 HZ2 TRP 36 2.164 -4.336 -4.336 341 HZ3 TRP 36 HZ3 TRP 36 -0.823 -1.783 -1.783 342 HH2 TRP 36 HH2 TRP 36 0.155 -2.914 -2.914 343 H TYR 37 HN TYR 37 0.682 -3.985 -3.985 344 HA TYR 37 HA TYR 37 2.572 -3.352 -3.352 345 1HB TYR 37 HB2 TYR 37 -0.442 -3.723 -3.723 346 2HB TYR 37 HB1 TYR 37 0.577 -3.512 -3.512 347 HD1 TYR 37 HD2 TYR 37 2.877 -5.293 -5.293 348 HD2 TYR 37 HD1 TYR 37 -1.342 -5.831 -5.831 349 HE1 TYR 37 HE2 TYR 37 3.168 -7.753 -7.753 350 HE2 TYR 37 HE1 TYR 37 -1.069 -8.278 -8.278 351 HH TYR 37 HH TYR 37 1.100 -9.808 -9.808 352 H LYS 38 HN LYS 38 1.159 -1.666 -1.666 353 HA LYS 38 HA LYS 38 0.440 0.698 0.698 354 1HB LYS 38 HB2 LYS 38 2.566 0.862 0.862 355 2HB LYS 38 HB1 LYS 38 1.441 0.845 0.845 356 1HG LYS 38 HG2 LYS 38 0.217 2.695 2.695 357 2HG LYS 38 HG1 LYS 38 1.856 2.932 2.932 358 1HD LYS 38 HD2 LYS 38 2.000 2.686 2.686 359 2HD LYS 38 HD1 LYS 38 0.729 3.847 3.847 360 1HE LYS 38 HE2 LYS 38 2.271 5.127 5.127 361 2HE LYS 38 HE1 LYS 38 3.546 3.942 3.942 362 1HZ LYS 38 HZ1 LYS 38 3.410 4.451 4.451 363 2HZ LYS 38 HZ3 LYS 38 2.234 5.631 5.631 364 3HZ LYS 38 HZ2 LYS 38 3.810 5.827 5.827 365 H ALA 39 HN ALA 39 -1.636 1.585 1.585 366 HA ALA 39 HA ALA 39 -2.919 0.896 0.896 367 1HB ALA 39 HB2 ALA 39 -3.069 -1.246 -1.246 368 2HB ALA 39 HB1 ALA 39 -3.999 -0.408 -0.408 369 3HB ALA 39 HB3 ALA 39 -4.650 -0.552 -0.552 370 H GLU 40 HN GLU 40 -5.432 1.218 1.218 371 HA GLU 40 HA GLU 40 -5.837 3.545 3.545 372 1HB GLU 40 HB2 GLU 40 -5.497 5.066 5.066 373 2HB GLU 40 HB1 GLU 40 -4.838 3.775 3.775 374 1HG GLU 40 HG2 GLU 40 -7.043 3.438 3.438 375 2HG GLU 40 HG1 GLU 40 -7.775 4.607 4.607 376 H LEU 41 HN LEU 41 -7.768 3.759 3.759 377 HA LEU 41 HA LEU 41 -9.922 2.053 2.053 378 1HB LEU 41 HB2 LEU 41 -9.334 3.123 3.123 379 2HB LEU 41 HB1 LEU 41 -11.036 2.912 2.912 380 HG LEU 41 HG LEU 41 -9.060 0.760 0.760 381 1HD1 LEU 41 HD11 LEU 41 -10.008 1.664 1.664 382 2HD1 LEU 41 HD13 LEU 41 -10.250 -0.055 -0.055 383 3HD1 LEU 41 HD12 LEU 41 -8.631 0.641 0.641 384 1HD2 LEU 41 HD22 LEU 41 -11.393 0.821 0.821 385 2HD2 LEU 41 HD21 LEU 41 -11.049 -0.607 -0.607 386 3HD2 LEU 41 HD23 LEU 41 -11.993 0.722 0.722 387 H ASN 42 HN ASN 42 -10.686 3.094 3.094 388 HA ASN 42 HA ASN 42 -11.805 4.759 4.759 389 1HB ASN 42 HB2 ASN 42 -13.143 4.304 4.304 390 2HB ASN 42 HB1 ASN 42 -13.724 5.651 5.651 391 1HD2 ASN 42 HD22 ASN 42 -14.325 1.804 1.804 392 2HD2 ASN 42 HD21 ASN 42 -13.285 2.122 2.122 393 H GLY 43 HN GLY 43 -9.531 5.931 5.931 394 1HA GLY 43 HA2 GLY 43 -9.441 8.539 8.539 395 2HA GLY 43 HA1 GLY 43 -10.597 8.599 8.599 396 H LYS 44 HN LYS 44 -9.342 6.573 6.573 397 HA LYS 44 HA LYS 44 -7.142 8.143 8.143 398 1HB LYS 44 HB2 LYS 44 -8.870 5.934 5.934 399 2HB LYS 44 HB1 LYS 44 -7.245 6.133 6.133 400 1HG LYS 44 HG2 LYS 44 -7.668 8.297 8.297 401 2HG LYS 44 HG1 LYS 44 -9.083 8.487 8.487 402 1HD LYS 44 HD2 LYS 44 -8.903 6.530 6.530 403 2HD LYS 44 HD1 LYS 44 -9.698 8.103 8.103 404 1HE LYS 44 HE2 LYS 44 -11.032 7.280 7.280 405 2HE LYS 44 HE1 LYS 44 -10.493 5.672 5.672 406 1HZ LYS 44 HZ1 LYS 44 -11.370 6.282 6.282 407 2HZ LYS 44 HZ3 LYS 44 -12.151 7.587 7.587 408 3HZ LYS 44 HZ2 LYS 44 -12.531 5.996 5.996 409 H ASP 45 HN ASP 45 -5.322 6.693 6.693 410 HA ASP 45 HA ASP 45 -4.729 4.373 4.373 411 1HB ASP 45 HB2 ASP 45 -3.526 5.144 5.144 412 2HB ASP 45 HB1 ASP 45 -4.531 6.554 6.554 413 H GLY 46 HN GLY 46 -2.162 4.014 4.014 414 1HA GLY 46 HA2 GLY 46 -0.188 4.722 4.722 415 2HA GLY 46 HA1 GLY 46 -1.306 4.673 4.673 416 H PHE 47 HN PHE 47 0.569 3.179 3.179 417 HA PHE 47 HA PHE 47 0.799 0.597 0.597 418 1HB PHE 47 HB2 PHE 47 1.671 1.708 1.708 419 2HB PHE 47 HB1 PHE 47 1.968 0.028 0.028 420 HD1 PHE 47 HD1 PHE 47 2.585 3.557 3.557 421 HD2 PHE 47 HD2 PHE 47 3.696 -0.559 -0.559 422 HE1 PHE 47 HE1 PHE 47 4.565 4.258 4.258 423 HE2 PHE 47 HE2 PHE 47 5.676 0.141 0.141 424 HZ PHE 47 HZ PHE 47 6.111 2.550 2.550 425 H ILE 48 HN ILE 48 -0.061 -1.421 -1.421 426 HA ILE 48 HA ILE 48 -2.078 -1.403 -1.403 427 HB ILE 48 HB ILE 48 -3.519 -2.882 -2.882 428 1HG1 ILE 48 HG12 ILE 48 -1.635 -1.903 -1.903 429 2HG1 ILE 48 HG11 ILE 48 -1.689 -3.551 -3.551 430 1HG2 ILE 48 HG22 ILE 48 -2.910 -0.072 -0.072 431 2HG2 ILE 48 HG21 ILE 48 -4.336 -0.992 -0.992 432 3HG2 ILE 48 HG23 ILE 48 -4.104 -0.542 -0.542 433 1HD1 ILE 48 HD12 ILE 48 -4.335 -2.575 -2.575 434 2HD1 ILE 48 HD11 ILE 48 -3.187 -2.572 -2.572 435 3HD1 ILE 48 HD13 ILE 48 -3.509 -4.063 -4.063 436 HA PRO 49 HA PRO 49 0.364 -5.011 -5.011 437 1HB PRO 49 HB2 PRO 49 -1.280 -6.164 -6.164 438 2HB PRO 49 HB1 PRO 49 -0.161 -4.827 -4.827 439 1HG PRO 49 HG2 PRO 49 -3.146 -4.757 -4.757 440 2HG PRO 49 HG1 PRO 49 -2.108 -3.685 -3.685 441 1HD PRO 49 HD2 PRO 49 -3.156 -3.030 -3.030 442 2HD PRO 49 HD1 PRO 49 -1.802 -2.225 -2.225 443 H LYS 50 HN LYS 50 0.288 -6.266 -6.266 444 HA LYS 50 HA LYS 50 -1.798 -7.462 -7.462 445 1HB LYS 50 HB2 LYS 50 0.382 -7.403 -7.403 446 2HB LYS 50 HB1 LYS 50 1.088 -8.232 -8.232 447 1HG LYS 50 HG2 LYS 50 -0.979 -9.872 -9.872 448 2HG LYS 50 HG1 LYS 50 0.218 -9.392 -9.392 449 1HD LYS 50 HD2 LYS 50 1.930 -10.004 -10.004 450 2HD LYS 50 HD1 LYS 50 0.585 -11.055 -11.055 451 1HE LYS 50 HE2 LYS 50 1.811 -11.011 -11.011 452 2HE LYS 50 HE1 LYS 50 2.173 -12.212 -12.212 453 1HZ LYS 50 HZ3 LYS 50 -0.167 -12.820 -12.820 454 2HZ LYS 50 HZ2 LYS 50 -0.506 -11.671 -11.671 455 3HZ LYS 50 HZ1 LYS 50 0.478 -13.010 -13.010 456 H ASN 51 HN ASN 51 -0.559 -8.480 -8.480 457 HA ASN 51 HA ASN 51 -1.264 -11.148 -11.148 458 1HB ASN 51 HB2 ASN 51 -0.817 -9.121 -9.121 459 2HB ASN 51 HB1 ASN 51 -1.621 -10.559 -10.559 460 1HD2 ASN 51 HD22 ASN 51 1.254 -12.654 -12.654 461 2HD2 ASN 51 HD21 ASN 51 -0.444 -12.679 -12.679 462 H TYR 52 HN TYR 52 -3.190 -8.329 -8.329 463 HA TYR 52 HA TYR 52 -5.637 -9.950 -9.950 464 1HB TYR 52 HB2 TYR 52 -5.071 -6.978 -6.978 465 2HB TYR 52 HB1 TYR 52 -6.676 -7.639 -7.639 466 HD1 TYR 52 HD1 TYR 52 -4.040 -9.664 -9.664 467 HD2 TYR 52 HD2 TYR 52 -6.772 -6.427 -6.427 468 HE1 TYR 52 HE1 TYR 52 -3.753 -9.814 -9.814 469 HE2 TYR 52 HE2 TYR 52 -6.499 -6.583 -6.583 470 HH TYR 52 HH TYR 52 -4.320 -7.608 -7.608 471 H ILE 53 HN ILE 53 -4.215 -9.957 -9.957 472 HA ILE 53 HA ILE 53 -6.305 -9.031 -9.031 473 HB ILE 53 HB ILE 53 -3.711 -8.074 -8.074 474 1HG1 ILE 53 HG12 ILE 53 -5.316 -6.440 -6.440 475 2HG1 ILE 53 HG11 ILE 53 -3.846 -7.308 -7.308 476 1HG2 ILE 53 HG22 ILE 53 -6.567 -7.291 -7.291 477 2HG2 ILE 53 HG21 ILE 53 -5.321 -6.112 -6.112 478 3HG2 ILE 53 HG23 ILE 53 -5.395 -7.612 -7.612 479 1HD1 ILE 53 HD13 ILE 53 -3.435 -5.789 -5.789 480 2HD1 ILE 53 HD12 ILE 53 -4.028 -4.741 -4.741 481 3HD1 ILE 53 HD11 ILE 53 -2.568 -5.689 -5.689 482 H GLU 54 HN GLU 54 -5.852 -9.460 -9.460 483 HA GLU 54 HA GLU 54 -3.882 -11.421 -11.421 484 1HB GLU 54 HB2 GLU 54 -6.665 -12.078 -12.078 485 2HB GLU 54 HB1 GLU 54 -6.158 -12.387 -12.387 486 1HG GLU 54 HG2 GLU 54 -4.061 -13.478 -13.478 487 2HG GLU 54 HG1 GLU 54 -5.239 -13.671 -13.671 488 H MET 55 HN MET 55 -3.770 -11.569 -11.569 489 HA MET 55 HA MET 55 -4.590 -8.912 -8.912 490 1HB MET 55 HB2 MET 55 -2.888 -9.631 -9.631 491 2HB MET 55 HB1 MET 55 -2.314 -8.966 -8.966 492 1HG MET 55 HG2 MET 55 -1.551 -11.013 -11.013 493 2HG MET 55 HG1 MET 55 -2.697 -11.927 -11.927 494 1HE MET 55 HE2 MET 55 -0.153 -13.107 -13.107 495 2HE MET 55 HE1 MET 55 -1.157 -13.642 -13.642 496 3HE MET 55 HE3 MET 55 0.552 -13.268 -13.268 497 H LYS 56 HN LYS 56 -6.398 -8.920 -8.920 498 HA LYS 56 HA LYS 56 -7.180 -11.231 -11.231 499 1HB LYS 56 HB2 LYS 56 -8.491 -8.803 -8.803 500 2HB LYS 56 HB1 LYS 56 -9.127 -9.524 -9.524 501 1HG LYS 56 HG2 LYS 56 -9.617 -11.567 -11.567 502 2HG LYS 56 HG1 LYS 56 -8.512 -11.226 -11.226 503 1HD LYS 56 HD2 LYS 56 -10.855 -10.961 -10.961 504 2HD LYS 56 HD1 LYS 56 -10.009 -9.414 -9.414 505 1HE LYS 56 HE2 LYS 56 -11.225 -8.539 -8.539 506 2HE LYS 56 HE1 LYS 56 -11.359 -10.087 -10.087 507 1HZ LYS 56 HZ3 LYS 56 -12.756 -9.811 -9.811 508 2HZ LYS 56 HZ2 LYS 56 -13.402 -8.977 -8.977 509 3HZ LYS 56 HZ1 LYS 56 -13.205 -10.662 -10.662 510 HA PRO 57 HA PRO 57 -5.893 -9.662 -9.662 511 1HB PRO 57 HB2 PRO 57 -7.768 -10.627 -10.627 512 2HB PRO 57 HB1 PRO 57 -6.444 -11.586 -11.586 513 1HG PRO 57 HG2 PRO 57 -9.310 -11.528 -11.528 514 2HG PRO 57 HG1 PRO 57 -8.151 -12.843 -12.843 515 1HD PRO 57 HD2 PRO 57 -8.989 -11.280 -11.280 516 2HD PRO 57 HD1 PRO 57 -7.508 -12.262 -12.262 517 H HIS 58 HN HIS 58 -7.141 -8.757 -8.757 518 HA HIS 58 HA HIS 58 -9.172 -6.762 -6.762 519 1HB HIS 58 HB2 HIS 58 -6.990 -5.676 -5.676 520 2HB HIS 58 HB1 HIS 58 -6.487 -6.052 -6.052 521 HD1 HIS 58 HD1 HIS 58 -9.760 -4.552 -4.552 522 HD2 HIS 58 HD2 HIS 58 -6.628 -3.647 -3.647 523 HE1 HIS 58 HE1 HIS 58 -10.379 -2.371 -2.371 524 HA PRO 59 HA PRO 59 -10.241 -8.243 -8.243 525 1HB PRO 59 HB2 PRO 59 -12.681 -6.987 -6.987 526 2HB PRO 59 HB1 PRO 59 -12.423 -8.503 -8.503 527 1HG PRO 59 HG2 PRO 59 -12.837 -5.749 -5.749 528 2HG PRO 59 HG1 PRO 59 -13.200 -7.316 -7.316 529 1HD PRO 59 HD2 PRO 59 -10.963 -5.690 -5.690 530 2HD PRO 59 HD1 PRO 59 -11.161 -7.392 -7.392 531 H GLU 60 HN GLU 60 -11.738 -5.012 -5.012 532 HA GLU 60 HA GLU 60 -9.710 -3.602 -3.602 533 1HB GLU 60 HB2 GLU 60 -10.908 -5.311 -5.311 534 2HB GLU 60 HB1 GLU 60 -12.089 -4.002 -4.002 535 1HG GLU 60 HG2 GLU 60 -10.326 -2.412 -2.412 536 2HG GLU 60 HG1 GLU 60 -9.110 -3.684 -3.684 537 H PHE 61 HN PHE 61 -13.291 -3.639 -3.639 538 HA PHE 61 HA PHE 61 -13.263 -0.793 -0.793 539 1HB PHE 61 HB2 PHE 61 -15.077 -2.433 -2.433 540 2HB PHE 61 HB1 PHE 61 -15.791 -1.114 -1.114 541 HD1 PHE 61 HD1 PHE 61 -12.766 -1.782 -1.782 542 HD2 PHE 61 HD2 PHE 61 -15.834 0.998 0.998 543 HE1 PHE 61 HE1 PHE 61 -11.905 -0.149 -0.149 544 HE2 PHE 61 HE2 PHE 61 -14.973 2.631 2.631 545 HZ PHE 61 HZ PHE 61 -13.007 2.057 2.057 546 H ILE 62 HN ILE 62 -15.587 -0.350 -0.350 547 HA ILE 62 HA ILE 62 -16.003 -2.465 -2.465 548 HB ILE 62 HB ILE 62 -16.237 -0.548 -0.548 549 1HG1 ILE 62 HG12 ILE 62 -14.495 1.096 1.096 550 2HG1 ILE 62 HG11 ILE 62 -16.222 1.090 1.090 551 1HG2 ILE 62 HG23 ILE 62 -13.586 -1.134 -1.134 552 2HG2 ILE 62 HG22 ILE 62 -13.729 -0.282 -0.282 553 3HG2 ILE 62 HG21 ILE 62 -14.279 -1.952 -1.952 554 1HD1 ILE 62 HD11 ILE 62 -15.469 1.424 1.424 555 2HD1 ILE 62 HD13 ILE 62 -15.118 2.783 2.783 556 3HD1 ILE 62 HD12 ILE 62 -16.770 2.183 2.183 557 H VAL 63 HN VAL 63 -17.823 0.302 0.302 558 HA VAL 63 HA VAL 63 -20.093 0.812 0.812 559 HB VAL 63 HB VAL 63 -19.850 -0.499 -0.499 560 1HG1 VAL 63 HG12 VAL 63 -22.128 0.140 0.140 561 2HG1 VAL 63 HG11 VAL 63 -21.587 1.814 1.814 562 3HG1 VAL 63 HG13 VAL 63 -21.727 0.849 0.849 563 1HG2 VAL 63 HG23 VAL 63 -18.894 2.142 2.142 564 2HG2 VAL 63 HG22 VAL 63 -18.149 1.081 1.081 565 3HG2 VAL 63 HG21 VAL 63 -19.538 2.073 2.073 566 H THR 64 HN THR 64 -20.588 -0.781 -0.781 567 HA THR 64 HA THR 64 -21.557 -3.412 -3.412 568 HB THR 64 HB THR 64 -21.517 -4.133 -4.133 569 HG1 THR 64 HG1 THR 64 -20.906 -2.630 -2.630 570 1HG2 THR 64 HG23 THR 64 -19.329 -3.714 -3.714 571 2HG2 THR 64 HG22 THR 64 -19.003 -2.524 -2.524 572 3HG2 THR 64 HG21 THR 64 -19.218 -4.221 -4.221 573 H ASP 65 HN ASP 65 -23.031 -0.908 -0.908 574 HA ASP 65 HA ASP 65 -25.338 -1.091 -1.091 575 1HB ASP 65 HB2 ASP 65 -24.416 1.128 1.128 576 2HB ASP 65 HB1 ASP 65 -25.006 0.710 0.710 577 1H SER 1 HT1 SER 1 0.263 -15.748 -15.748 578 2H SER 1 HT3 SER 1 -0.347 -14.590 -14.590 579 3H SER 1 HT2 SER 1 1.099 -14.288 -14.288 580 HA SER 1 HA SER 1 -0.077 -14.226 -14.226 581 1HB SER 1 HB2 SER 1 -1.672 -12.477 -12.477 582 2HB SER 1 HB1 SER 1 -0.954 -12.085 -12.085 583 HG SER 1 HG SER 1 0.069 -11.368 -11.368 584 HA PRO 2 HA PRO 2 -3.950 -16.350 -16.350 585 1HB PRO 2 HB2 PRO 2 -5.000 -15.298 -15.298 586 2HB PRO 2 HB1 PRO 2 -3.699 -16.502 -16.502 587 1HG PRO 2 HG2 PRO 2 -3.534 -13.577 -13.577 588 2HG PRO 2 HG1 PRO 2 -2.474 -14.890 -14.890 589 1HD PRO 2 HD2 PRO 2 -1.918 -13.065 -13.065 590 2HD PRO 2 HD1 PRO 2 -1.034 -14.569 -14.569 591 H LEU 3 HN LEU 3 -4.608 -13.067 -13.067 592 HA LEU 3 HA LEU 3 -7.109 -12.925 -12.925 593 1HB LEU 3 HB2 LEU 3 -6.087 -11.736 -11.736 594 2HB LEU 3 HB1 LEU 3 -6.289 -10.411 -10.411 595 HG LEU 3 HG LEU 3 -8.355 -10.742 -10.742 596 1HD1 LEU 3 HD11 LEU 3 -8.439 -11.490 -11.490 597 2HD1 LEU 3 HD13 LEU 3 -9.915 -11.308 -11.308 598 3HD1 LEU 3 HD12 LEU 3 -8.821 -9.940 -9.940 599 1HD2 LEU 3 HD21 LEU 3 -7.872 -13.572 -13.572 600 2HD2 LEU 3 HD23 LEU 3 -8.572 -12.919 -12.919 601 3HD2 LEU 3 HD22 LEU 3 -9.551 -13.040 -13.040 602 H LEU 4 HN LEU 4 -6.879 -10.003 -10.003 603 HA LEU 4 HA LEU 4 -4.830 -10.083 -10.083 604 1HB LEU 4 HB2 LEU 4 -7.752 -9.736 -9.736 605 2HB LEU 4 HB1 LEU 4 -6.843 -8.505 -8.505 606 HG LEU 4 HG LEU 4 -5.480 -10.459 -10.459 607 1HD1 LEU 4 HD12 LEU 4 -7.721 -11.872 -11.872 608 2HD1 LEU 4 HD11 LEU 4 -7.130 -12.523 -12.523 609 3HD1 LEU 4 HD13 LEU 4 -6.030 -12.345 -12.345 610 1HD2 LEU 4 HD23 LEU 4 -7.600 -9.081 -9.081 611 2HD2 LEU 4 HD22 LEU 4 -6.845 -10.384 -10.384 612 3HD2 LEU 4 HD21 LEU 4 -8.308 -10.697 -10.697 613 HA PRO 5 HA PRO 5 -4.743 -6.070 -6.070 614 1HB PRO 5 HB2 PRO 5 -2.361 -6.434 -6.434 615 2HB PRO 5 HB1 PRO 5 -3.936 -6.882 -6.882 616 1HG PRO 5 HG2 PRO 5 -1.807 -8.655 -8.655 617 2HG PRO 5 HG1 PRO 5 -3.040 -9.015 -9.015 618 1HD PRO 5 HD2 PRO 5 -3.148 -9.786 -9.786 619 2HD PRO 5 HD1 PRO 5 -4.497 -9.801 -9.801 620 H LYS 6 HN LYS 6 -1.515 -7.476 -7.476 621 HA LYS 6 HA LYS 6 -1.002 -5.205 -5.205 622 1HB LYS 6 HB2 LYS 6 0.426 -5.972 -5.972 623 2HB LYS 6 HB1 LYS 6 1.332 -6.740 -6.740 624 1HG LYS 6 HG2 LYS 6 1.739 -4.672 -4.672 625 2HG LYS 6 HG1 LYS 6 0.485 -3.846 -3.846 626 1HD LYS 6 HD2 LYS 6 1.924 -3.351 -3.351 627 2HD LYS 6 HD1 LYS 6 2.466 -5.024 -5.024 628 1HE LYS 6 HE2 LYS 6 3.419 -3.445 -3.445 629 2HE LYS 6 HE1 LYS 6 4.111 -3.049 -3.049 630 1HZ LYS 6 HZ3 LYS 6 4.527 -5.486 -5.486 631 2HZ LYS 6 HZ2 LYS 6 4.112 -5.676 -5.676 632 3HZ LYS 6 HZ1 LYS 6 5.453 -4.729 -4.729 633 H LEU 7 HN LEU 7 1.274 -6.266 -6.266 634 HA LEU 7 HA LEU 7 0.060 -8.516 -8.516 635 1HB LEU 7 HB2 LEU 7 1.935 -6.280 -6.280 636 2HB LEU 7 HB1 LEU 7 1.926 -7.764 -7.764 637 HG LEU 7 HG LEU 7 0.391 -6.088 -6.088 638 1HD1 LEU 7 HD13 LEU 7 -0.109 -8.646 -8.646 639 2HD1 LEU 7 HD12 LEU 7 -1.362 -8.186 -8.186 640 3HD1 LEU 7 HD11 LEU 7 -1.401 -7.555 -7.555 641 1HD2 LEU 7 HD22 LEU 7 -0.096 -5.124 -5.124 642 2HD2 LEU 7 HD21 LEU 7 -1.394 -5.118 -5.118 643 3HD2 LEU 7 HD23 LEU 7 -1.356 -6.356 -6.356 644 HA PRO 8 HA PRO 8 3.315 -11.119 -11.119 645 1HB PRO 8 HB2 PRO 8 3.385 -12.985 -12.985 646 2HB PRO 8 HB1 PRO 8 2.121 -12.927 -12.927 647 1HG PRO 8 HG2 PRO 8 1.972 -12.110 -12.110 648 2HG PRO 8 HG1 PRO 8 0.675 -12.652 -12.652 649 1HD PRO 8 HD2 PRO 8 1.217 -9.966 -9.966 650 2HD PRO 8 HD1 PRO 8 0.142 -10.497 -10.497 651 HA PRO 9 HA PRO 9 6.859 -9.590 -9.590 652 1HB PRO 9 HB2 PRO 9 8.826 -10.558 -10.558 653 2HB PRO 9 HB1 PRO 9 7.887 -9.097 -9.097 654 1HG PRO 9 HG2 PRO 9 7.682 -11.801 -11.801 655 2HG PRO 9 HG1 PRO 9 7.238 -10.222 -10.222 656 1HD PRO 9 HD2 PRO 9 5.446 -12.147 -12.147 657 2HD PRO 9 HD1 PRO 9 5.057 -10.464 -10.464 658 H LYS 10 HN LYS 10 6.531 -11.075 -11.075 659 HA LYS 10 HA LYS 10 7.348 -12.699 -12.699 660 1HB LYS 10 HB2 LYS 10 9.491 -12.405 -12.405 661 2HB LYS 10 HB1 LYS 10 9.225 -14.140 -14.140 662 1HG LYS 10 HG2 LYS 10 10.712 -13.687 -13.687 663 2HG LYS 10 HG1 LYS 10 9.137 -13.702 -13.702 664 1HD LYS 10 HD2 LYS 10 9.069 -11.371 -11.371 665 2HD LYS 10 HD1 LYS 10 10.235 -11.128 -11.128 666 1HE LYS 10 HE2 LYS 10 11.392 -10.680 -10.680 667 2HE LYS 10 HE1 LYS 10 11.966 -12.244 -12.244 668 1HZ LYS 10 HZ1 LYS 10 10.016 -13.127 -13.127 669 2HZ LYS 10 HZ3 LYS 10 10.167 -11.638 -11.638 670 3HZ LYS 10 HZ2 LYS 10 11.489 -12.704 -12.704 671 H THR 11 HN THR 11 7.884 -14.570 -14.570 672 HA THR 11 HA THR 11 5.393 -16.087 -16.087 673 HB THR 11 HB THR 11 6.562 -18.223 -18.223 674 HG1 THR 11 HG1 THR 11 8.810 -18.241 -18.241 675 1HG2 THR 11 HG22 THR 11 6.406 -17.180 -17.180 676 2HG2 THR 11 HG21 THR 11 7.946 -16.366 -16.366 677 3HG2 THR 11 HG23 THR 11 7.887 -18.125 -18.125 678 H TYR 12 HN TYR 12 5.013 -17.688 -17.688 679 HA TYR 12 HA TYR 12 5.622 -16.232 -16.232 680 1HB TYR 12 HB2 TYR 12 3.754 -17.602 -17.602 681 2HB TYR 12 HB1 TYR 12 3.246 -16.604 -16.604 682 HD1 TYR 12 HD2 TYR 12 4.090 -20.046 -20.046 683 HD2 TYR 12 HD1 TYR 12 2.566 -17.584 -17.584 684 HE1 TYR 12 HE2 TYR 12 3.305 -22.072 -22.072 685 HE2 TYR 12 HE1 TYR 12 1.780 -19.612 -19.612 686 HH TYR 12 HH TYR 12 1.689 -22.705 -22.705 687 H LYS 13 HN LYS 13 5.406 -18.193 -18.193 688 HA LYS 13 HA LYS 13 7.948 -19.475 -19.475 689 1HB LYS 13 HB2 LYS 13 5.519 -20.083 -20.083 690 2HB LYS 13 HB1 LYS 13 7.129 -20.749 -20.749 691 1HG LYS 13 HG2 LYS 13 8.048 -18.626 -18.626 692 2HG LYS 13 HG1 LYS 13 6.679 -17.772 -17.772 693 1HD LYS 13 HD2 LYS 13 6.044 -19.623 -19.623 694 2HD LYS 13 HD1 LYS 13 6.936 -18.163 -18.163 695 1HE LYS 13 HE2 LYS 13 5.231 -16.775 -16.775 696 2HE LYS 13 HE1 LYS 13 4.348 -18.221 -18.221 697 1HZ LYS 13 HZ3 LYS 13 4.197 -18.789 -18.789 698 2HZ LYS 13 HZ2 LYS 13 4.848 -17.261 -17.261 699 3HZ LYS 13 HZ1 LYS 13 3.351 -17.384 -17.384 700 H ARG 14 HN ARG 14 5.411 -21.817 -21.817 701 HA ARG 14 HA ARG 14 4.942 -23.053 -23.053 702 1HB ARG 14 HB2 ARG 14 7.704 -23.468 -23.468 703 2HB ARG 14 HB1 ARG 14 6.848 -24.984 -24.984 704 1HG ARG 14 HG2 ARG 14 6.127 -23.439 -23.439 705 2HG ARG 14 HG1 ARG 14 7.812 -22.991 -22.991 706 1HD ARG 14 HD2 ARG 14 8.413 -24.902 -24.902 707 2HD ARG 14 HD1 ARG 14 7.713 -25.799 -25.799 708 HE ARG 14 HE ARG 14 5.771 -26.209 -26.209 709 1HH1 ARG 14 HH21 ARG 14 5.588 -23.408 -23.408 710 2HH1 ARG 14 HH22 ARG 14 5.877 -23.718 -23.718 711 1HH2 ARG 14 HH11 ARG 14 7.179 -26.887 -26.887 712 2HH2 ARG 14 HH12 ARG 14 6.779 -25.687 -25.687 713 H GLU 15 HN GLU 15 3.680 -24.905 -24.905 714 HA GLU 15 HA GLU 15 3.610 -26.065 -26.065 715 1HB GLU 15 HB2 GLU 15 1.741 -24.281 -24.281 716 2HB GLU 15 HB1 GLU 15 1.028 -25.685 -25.685 717 1HG GLU 15 HG2 GLU 15 0.111 -25.923 -25.923 718 2HG GLU 15 HG1 GLU 15 1.595 -26.852 -26.852 Start of MODEL 10 1 1H GLY -8 HT2 GLY -8 8.222 -3.113 -3.113 2 2H GLY -8 HT1 GLY -8 9.611 -3.053 -3.053 3 3H GLY -8 HT3 GLY -8 9.702 -2.611 -2.611 4 1HA GLY -8 HA1 GLY -8 9.038 -0.576 -0.576 5 2HA GLY -8 HA2 GLY -8 9.344 -0.905 -0.905 6 H SER -7 HN SER -7 7.214 -0.059 -0.059 7 HA SER -7 HA SER -7 5.004 0.142 0.142 8 1HB SER -7 HB2 SER -7 5.580 2.373 2.373 9 2HB SER -7 HB1 SER -7 4.596 2.416 2.416 10 HG SER -7 HG SER -7 6.518 3.343 3.343 11 H ARG -6 HN ARG -6 3.085 -0.558 -0.558 12 HA ARG -6 HA ARG -6 3.014 -1.168 -1.168 13 1HB ARG -6 HB2 ARG -6 2.231 -2.644 -2.644 14 2HB ARG -6 HB1 ARG -6 0.698 -1.997 -1.997 15 1HG ARG -6 HG2 ARG -6 2.565 -3.092 -3.092 16 2HG ARG -6 HG1 ARG -6 1.771 -4.257 -4.257 17 1HD ARG -6 HD2 ARG -6 -0.426 -3.312 -3.312 18 2HD ARG -6 HD1 ARG -6 0.359 -2.133 -2.133 19 HE ARG -6 HE ARG -6 0.136 -5.040 -5.040 20 1HH1 ARG -6 HH21 ARG -6 2.775 -3.744 -3.744 21 2HH1 ARG -6 HH22 ARG -6 2.412 -3.326 -3.326 22 1HH2 ARG -6 HH11 ARG -6 -1.013 -3.697 -3.697 23 2HH2 ARG -6 HH12 ARG -6 0.269 -3.301 -3.301 24 H ARG -5 HN ARG -5 2.486 1.567 1.567 25 HA ARG -5 HA ARG -5 1.046 3.389 3.389 26 1HB ARG -5 HB2 ARG -5 0.584 1.696 1.696 27 2HB ARG -5 HB1 ARG -5 -0.345 3.174 3.174 28 1HG ARG -5 HG2 ARG -5 1.506 3.945 3.945 29 2HG ARG -5 HG1 ARG -5 1.986 4.267 4.267 30 1HD ARG -5 HD2 ARG -5 3.396 2.351 2.351 31 2HD ARG -5 HD1 ARG -5 2.689 1.681 1.681 32 HE ARG -5 HE ARG -5 4.745 3.772 3.772 33 1HH1 ARG -5 HH11 ARG -5 2.644 4.821 4.821 34 2HH1 ARG -5 HH12 ARG -5 3.104 4.144 4.144 35 1HH2 ARG -5 HH21 ARG -5 5.197 1.754 1.754 36 2HH2 ARG -5 HH22 ARG -5 4.548 2.406 2.406 37 H ALA -4 HN ALA -4 0.101 1.100 1.100 38 HA ALA -4 HA ALA -4 -2.831 1.158 1.158 39 1HB ALA -4 HB2 ALA -4 -1.291 -0.970 -0.970 40 2HB ALA -4 HB1 ALA -4 -1.709 -0.471 -0.471 41 3HB ALA -4 HB3 ALA -4 -2.983 -0.867 -0.867 42 H SER -3 HN SER -3 -1.215 3.409 3.409 43 HA SER -3 HA SER -3 -1.451 4.977 4.977 44 1HB SER -3 HB2 SER -3 -4.090 3.541 3.541 45 2HB SER -3 HB1 SER -3 -3.748 4.736 4.736 46 HG SER -3 HG SER -3 -4.417 5.094 5.094 47 H VAL -2 HN VAL -2 -3.307 2.600 2.600 48 HA VAL -2 HA VAL -2 -0.903 1.922 1.922 49 HB VAL -2 HB VAL -2 -3.418 3.138 3.138 50 1HG1 VAL -2 HG12 VAL -2 -0.931 1.902 1.902 51 2HG1 VAL -2 HG11 VAL -2 -1.802 3.151 3.151 52 3HG1 VAL -2 HG13 VAL -2 -2.612 1.645 1.645 53 1HG2 VAL -2 HG21 VAL -2 -0.646 4.207 4.207 54 2HG2 VAL -2 HG23 VAL -2 -2.201 4.934 4.934 55 3HG2 VAL -2 HG22 VAL -2 -1.657 4.893 4.893 56 H GLY -1 HN GLY -1 -1.408 0.122 0.122 57 1HA GLY -1 HA2 GLY -1 -3.910 -1.358 -1.358 58 2HA GLY -1 HA1 GLY -1 -2.428 -2.155 -2.155 59 H SER 0 HN SER 0 -3.933 -0.669 -0.669 60 HA SER 0 HA SER 0 -2.087 -2.123 -2.123 61 1HB SER 0 HB2 SER 0 -3.775 -1.054 -1.054 62 2HB SER 0 HB1 SER 0 -2.567 -0.047 -0.047 63 HG SER 0 HG SER 0 -4.255 1.049 1.049 64 H MET 1 HN MET 1 -3.099 -3.421 -3.421 65 HA MET 1 HA MET 1 -5.415 -5.000 -5.000 66 1HB MET 1 HB2 MET 1 -2.879 -5.798 -5.798 67 2HB MET 1 HB1 MET 1 -4.339 -6.725 -6.725 68 1HG MET 1 HG2 MET 1 -4.606 -7.439 -7.439 69 2HG MET 1 HG1 MET 1 -3.659 -6.105 -6.105 70 1HE MET 1 HE1 MET 1 -3.740 -9.075 -9.075 71 2HE MET 1 HE3 MET 1 -2.244 -9.970 -9.970 72 3HE MET 1 HE2 MET 1 -3.495 -9.900 -9.900 73 H GLU 2 HN GLU 2 -6.218 -6.344 -6.344 74 HA GLU 2 HA GLU 2 -6.691 -4.223 -4.223 75 1HB GLU 2 HB2 GLU 2 -8.558 -5.419 -5.419 76 2HB GLU 2 HB1 GLU 2 -8.788 -6.223 -6.223 77 1HG GLU 2 HG2 GLU 2 -9.257 -4.190 -4.190 78 2HG GLU 2 HG1 GLU 2 -8.596 -3.223 -3.223 79 H ALA 3 HN ALA 3 -7.612 -5.443 -5.443 80 HA ALA 3 HA ALA 3 -6.566 -8.118 -8.118 81 1HB ALA 3 HB1 ALA 3 -5.258 -5.715 -5.715 82 2HB ALA 3 HB3 ALA 3 -5.316 -7.192 -7.192 83 3HB ALA 3 HB2 ALA 3 -4.544 -7.205 -7.205 84 H ILE 4 HN ILE 4 -8.140 -9.059 -9.059 85 HA ILE 4 HA ILE 4 -10.256 -7.762 -7.762 86 HB ILE 4 HB ILE 4 -10.582 -9.910 -9.910 87 1HG1 ILE 4 HG12 ILE 4 -10.665 -10.867 -10.867 88 2HG1 ILE 4 HG11 ILE 4 -11.341 -9.248 -9.248 89 1HG2 ILE 4 HG21 ILE 4 -8.066 -10.493 -10.493 90 2HG2 ILE 4 HG23 ILE 4 -9.267 -11.747 -11.747 91 3HG2 ILE 4 HG22 ILE 4 -8.849 -11.316 -11.316 92 1HD1 ILE 4 HD11 ILE 4 -12.059 -11.550 -11.550 93 2HD1 ILE 4 HD13 ILE 4 -12.958 -11.139 -11.139 94 3HD1 ILE 4 HD12 ILE 4 -12.856 -9.982 -9.982 95 H ALA 5 HN ALA 5 -10.229 -6.797 -6.797 96 HA ALA 5 HA ALA 5 -8.125 -7.206 -7.206 97 1HB ALA 5 HB2 ALA 5 -10.758 -5.704 -5.704 98 2HB ALA 5 HB1 ALA 5 -9.847 -5.913 -5.913 99 3HB ALA 5 HB3 ALA 5 -9.123 -5.053 -5.053 100 H LYS 6 HN LYS 6 -8.102 -9.114 -9.114 101 HA LYS 6 HA LYS 6 -10.381 -10.878 -10.878 102 1HB LYS 6 HB2 LYS 6 -7.799 -10.974 -10.974 103 2HB LYS 6 HB1 LYS 6 -8.940 -12.301 -12.301 104 1HG LYS 6 HG2 LYS 6 -8.475 -12.470 -12.470 105 2HG LYS 6 HG1 LYS 6 -7.699 -10.886 -10.886 106 1HD LYS 6 HD2 LYS 6 -6.006 -12.647 -12.647 107 2HD LYS 6 HD1 LYS 6 -5.882 -11.756 -11.756 108 1HE LYS 6 HE2 LYS 6 -6.761 -13.519 -13.519 109 2HE LYS 6 HE1 LYS 6 -7.604 -14.215 -14.215 110 1HZ LYS 6 HZ3 LYS 6 -5.247 -14.573 -14.573 111 2HZ LYS 6 HZ2 LYS 6 -4.743 -14.369 -14.369 112 3HZ LYS 6 HZ1 LYS 6 -5.814 -15.624 -15.624 113 H TYR 7 HN TYR 7 -9.154 -8.362 -8.362 114 HA TYR 7 HA TYR 7 -11.424 -8.844 -8.844 115 1HB TYR 7 HB2 TYR 7 -8.675 -8.466 -8.466 116 2HB TYR 7 HB1 TYR 7 -10.134 -9.049 -9.049 117 HD1 TYR 7 HD2 TYR 7 -11.058 -11.338 -11.338 118 HD2 TYR 7 HD1 TYR 7 -7.167 -9.937 -9.937 119 HE1 TYR 7 HE2 TYR 7 -10.364 -13.669 -13.669 120 HE2 TYR 7 HE1 TYR 7 -6.461 -12.250 -12.250 121 HH TYR 7 HH TYR 7 -7.290 -14.653 -14.653 122 H ASP 8 HN ASP 8 -10.987 -7.134 -7.134 123 HA ASP 8 HA ASP 8 -11.144 -4.537 -4.537 124 1HB ASP 8 HB2 ASP 8 -12.038 -5.756 -5.756 125 2HB ASP 8 HB1 ASP 8 -11.203 -4.239 -4.239 126 H PHE 9 HN PHE 9 -9.928 -2.686 -2.686 127 HA PHE 9 HA PHE 9 -7.654 -2.855 -2.855 128 1HB PHE 9 HB2 PHE 9 -7.114 -4.204 -4.204 129 2HB PHE 9 HB1 PHE 9 -6.399 -2.615 -2.615 130 HD1 PHE 9 HD1 PHE 9 -6.802 -4.701 -4.701 131 HD2 PHE 9 HD2 PHE 9 -4.088 -2.779 -2.779 132 HE1 PHE 9 HE1 PHE 9 -4.892 -5.326 -5.326 133 HE2 PHE 9 HE2 PHE 9 -2.181 -3.398 -3.398 134 HZ PHE 9 HZ PHE 9 -2.585 -4.672 -4.672 135 H LYS 10 HN LYS 10 -6.077 -0.914 -0.914 136 HA LYS 10 HA LYS 10 -7.428 1.253 1.253 137 1HB LYS 10 HB2 LYS 10 -7.434 2.776 2.776 138 2HB LYS 10 HB1 LYS 10 -8.286 1.309 1.309 139 1HG LYS 10 HG2 LYS 10 -5.675 0.716 0.716 140 2HG LYS 10 HG1 LYS 10 -5.781 2.437 2.437 141 1HD LYS 10 HD2 LYS 10 -8.111 0.836 0.836 142 2HD LYS 10 HD1 LYS 10 -6.599 0.453 0.453 143 1HE LYS 10 HE2 LYS 10 -7.168 2.214 2.214 144 2HE LYS 10 HE1 LYS 10 -6.498 3.178 3.178 145 1HZ LYS 10 HZ1 LYS 10 -9.341 2.353 2.353 146 2HZ LYS 10 HZ3 LYS 10 -8.780 3.822 3.822 147 3HZ LYS 10 HZ2 LYS 10 -8.636 3.503 3.503 148 H ALA 11 HN ALA 11 -6.028 3.327 3.327 149 HA ALA 11 HA ALA 11 -3.441 2.573 2.573 150 1HB ALA 11 HB2 ALA 11 -4.999 4.641 4.641 151 2HB ALA 11 HB1 ALA 11 -4.059 5.402 5.402 152 3HB ALA 11 HB3 ALA 11 -3.238 4.755 4.755 153 H THR 12 HN THR 12 -1.530 2.557 2.557 154 HA THR 12 HA THR 12 -1.659 3.536 3.536 155 HB THR 12 HB THR 12 0.286 1.833 1.833 156 HG1 THR 12 HG1 THR 12 0.718 0.685 0.685 157 1HG2 THR 12 HG21 THR 12 -2.615 1.134 1.134 158 2HG2 THR 12 HG23 THR 12 -1.451 -0.068 -0.068 159 3HG2 THR 12 HG22 THR 12 -1.763 1.370 1.370 160 H ALA 13 HN ALA 13 -1.016 5.284 5.284 161 HA ALA 13 HA ALA 13 1.388 6.503 6.503 162 1HB ALA 13 HB3 ALA 13 1.698 4.599 4.599 163 2HB ALA 13 HB2 ALA 13 2.680 6.065 6.065 164 3HB ALA 13 HB1 ALA 13 2.777 4.863 4.863 165 H ASP 14 HN ASP 14 2.167 8.121 8.121 166 HA ASP 14 HA ASP 14 -0.129 9.601 9.601 167 1HB ASP 14 HB2 ASP 14 2.128 10.367 10.367 168 2HB ASP 14 HB1 ASP 14 2.712 10.218 10.218 169 H ASP 15 HN ASP 15 1.608 7.080 7.080 170 HA ASP 15 HA ASP 15 0.695 7.870 7.870 171 1HB ASP 15 HB2 ASP 15 3.321 7.915 7.915 172 2HB ASP 15 HB1 ASP 15 3.152 6.250 6.250 173 H GLU 16 HN GLU 16 -0.441 6.085 6.085 174 HA GLU 16 HA GLU 16 -0.183 3.467 3.467 175 1HB GLU 16 HB2 GLU 16 0.246 3.730 3.730 176 2HB GLU 16 HB1 GLU 16 -1.499 3.901 3.901 177 1HG GLU 16 HG2 GLU 16 -1.862 1.700 1.700 178 2HG GLU 16 HG1 GLU 16 -0.719 1.646 1.646 179 H LEU 17 HN LEU 17 -2.381 2.226 2.226 180 HA LEU 17 HA LEU 17 -4.565 4.131 4.131 181 1HB LEU 17 HB2 LEU 17 -3.600 3.223 3.223 182 2HB LEU 17 HB1 LEU 17 -3.789 1.590 1.590 183 HG LEU 17 HG LEU 17 -6.270 1.985 1.985 184 1HD1 LEU 17 HD11 LEU 17 -5.331 4.620 4.620 185 2HD1 LEU 17 HD13 LEU 17 -6.824 3.979 3.979 186 3HD1 LEU 17 HD12 LEU 17 -6.693 4.243 4.243 187 1HD2 LEU 17 HD23 LEU 17 -4.834 1.051 1.051 188 2HD2 LEU 17 HD22 LEU 17 -6.561 1.368 1.368 189 3HD2 LEU 17 HD21 LEU 17 -5.383 2.540 2.540 190 H SER 18 HN SER 18 -6.616 3.602 3.602 191 HA SER 18 HA SER 18 -6.826 1.397 1.397 192 1HB SER 18 HB2 SER 18 -8.882 3.402 3.402 193 2HB SER 18 HB1 SER 18 -8.544 2.580 2.580 194 HG SER 18 HG SER 18 -7.649 4.539 4.539 195 H PHE 19 HN PHE 19 -8.915 0.164 0.164 196 HA PHE 19 HA PHE 19 -10.686 0.136 0.136 197 1HB PHE 19 HB2 PHE 19 -9.939 -1.886 -1.886 198 2HB PHE 19 HB1 PHE 19 -8.693 -0.644 -0.644 199 HD1 PHE 19 HD1 PHE 19 -9.746 -3.725 -3.725 200 HD2 PHE 19 HD2 PHE 19 -6.524 -1.036 -1.036 201 HE1 PHE 19 HE1 PHE 19 -8.130 -5.305 -5.305 202 HE2 PHE 19 HE2 PHE 19 -4.911 -2.614 -2.614 203 HZ PHE 19 HZ PHE 19 -5.715 -4.749 -4.749 204 H LYS 20 HN LYS 20 -12.121 -1.823 -1.823 205 HA LYS 20 HA LYS 20 -12.190 -2.950 -2.950 206 1HB LYS 20 HB2 LYS 20 -14.497 -2.597 -2.597 207 2HB LYS 20 HB1 LYS 20 -14.595 -3.024 -3.024 208 1HG LYS 20 HG2 LYS 20 -13.080 -0.591 -0.591 209 2HG LYS 20 HG1 LYS 20 -14.596 -0.423 -0.423 210 1HD LYS 20 HD2 LYS 20 -14.603 -1.581 -1.581 211 2HD LYS 20 HD1 LYS 20 -14.529 0.168 0.168 212 1HE LYS 20 HE2 LYS 20 -16.811 -0.039 -0.039 213 2HE LYS 20 HE1 LYS 20 -16.524 -0.411 -0.411 214 1HZ LYS 20 HZ3 LYS 20 -16.516 -2.504 -2.504 215 2HZ LYS 20 HZ2 LYS 20 -17.945 -2.027 -2.027 216 3HZ LYS 20 HZ1 LYS 20 -16.660 -2.694 -2.694 217 H ARG 21 HN ARG 21 -13.737 -4.986 -4.986 218 HA ARG 21 HA ARG 21 -12.332 -7.014 -7.014 219 1HB ARG 21 HB2 ARG 21 -13.451 -7.266 -7.266 220 2HB ARG 21 HB1 ARG 21 -15.001 -7.213 -7.213 221 1HG ARG 21 HG2 ARG 21 -14.679 -9.267 -9.267 222 2HG ARG 21 HG1 ARG 21 -12.919 -9.129 -9.129 223 1HD ARG 21 HD2 ARG 21 -13.042 -9.295 -9.295 224 2HD ARG 21 HD1 ARG 21 -14.762 -9.640 -9.640 225 HE ARG 21 HE ARG 21 -12.619 -11.410 -11.410 226 1HH1 ARG 21 HH11 ARG 21 -14.911 -11.294 -11.294 227 2HH1 ARG 21 HH12 ARG 21 -15.752 -12.735 -12.735 228 1HH2 ARG 21 HH21 ARG 21 -14.062 -13.069 -13.069 229 2HH2 ARG 21 HH22 ARG 21 -15.271 -13.741 -13.741 230 H GLY 22 HN GLY 22 -12.611 -7.123 -7.123 231 1HA GLY 22 HA2 GLY 22 -14.042 -7.945 -7.945 232 2HA GLY 22 HA1 GLY 22 -15.406 -7.143 -7.143 233 H ASP 23 HN ASP 23 -12.819 -5.032 -5.032 234 HA ASP 23 HA ASP 23 -13.821 -3.421 -3.421 235 1HB ASP 23 HB2 ASP 23 -12.303 -3.069 -3.069 236 2HB ASP 23 HB1 ASP 23 -11.798 -2.044 -2.044 237 H ILE 24 HN ILE 24 -12.960 -4.540 -4.540 238 HA ILE 24 HA ILE 24 -10.191 -5.309 -5.309 239 HB ILE 24 HB ILE 24 -11.857 -4.690 -4.690 240 1HG1 ILE 24 HG12 ILE 24 -12.099 -6.998 -6.998 241 2HG1 ILE 24 HG11 ILE 24 -13.389 -6.004 -6.004 242 1HG2 ILE 24 HG21 ILE 24 -9.300 -5.495 -5.495 243 2HG2 ILE 24 HG23 ILE 24 -10.078 -7.070 -7.070 244 3HG2 ILE 24 HG22 ILE 24 -10.318 -6.047 -6.047 245 1HD1 ILE 24 HD11 ILE 24 -12.585 -7.015 -7.015 246 2HD1 ILE 24 HD13 ILE 24 -11.898 -8.274 -8.274 247 3HD1 ILE 24 HD12 ILE 24 -13.634 -7.960 -7.960 248 H LEU 25 HN LEU 25 -8.449 -4.133 -4.133 249 HA LEU 25 HA LEU 25 -8.812 -1.233 -1.233 250 1HB LEU 25 HB2 LEU 25 -6.296 -2.780 -2.780 251 2HB LEU 25 HB1 LEU 25 -6.518 -1.031 -1.031 252 HG LEU 25 HG LEU 25 -8.557 -1.708 -1.708 253 1HD1 LEU 25 HD13 LEU 25 -6.799 -4.133 -4.133 254 2HD1 LEU 25 HD12 LEU 25 -7.540 -3.682 -3.682 255 3HD1 LEU 25 HD11 LEU 25 -8.552 -4.033 -4.033 256 1HD2 LEU 25 HD22 LEU 25 -6.130 -0.594 -0.594 257 2HD2 LEU 25 HD21 LEU 25 -7.258 -0.931 -0.931 258 3HD2 LEU 25 HD23 LEU 25 -5.945 -2.057 -2.057 259 H LYS 26 HN LYS 26 -7.230 -0.127 -0.127 260 HA LYS 26 HA LYS 26 -6.932 -1.806 -1.806 261 1HB LYS 26 HB2 LYS 26 -7.029 1.197 1.197 262 2HB LYS 26 HB1 LYS 26 -6.691 0.439 0.439 263 1HG LYS 26 HG2 LYS 26 -9.099 -0.573 -0.573 264 2HG LYS 26 HG1 LYS 26 -9.197 1.098 1.098 265 1HD LYS 26 HD2 LYS 26 -8.083 -0.095 -0.095 266 2HD LYS 26 HD1 LYS 26 -9.081 -1.413 -1.413 267 1HE LYS 26 HE2 LYS 26 -10.705 -0.357 -0.357 268 2HE LYS 26 HE1 LYS 26 -10.845 0.623 0.623 269 1HZ LYS 26 HZ2 LYS 26 -9.156 1.261 1.261 270 2HZ LYS 26 HZ1 LYS 26 -10.636 2.001 2.001 271 3HZ LYS 26 HZ3 LYS 26 -9.295 2.208 2.208 272 H VAL 27 HN VAL 27 -4.885 -2.771 -2.771 273 HA VAL 27 HA VAL 27 -2.639 -1.485 -1.485 274 HB VAL 27 HB VAL 27 -2.655 -3.725 -3.725 275 1HG1 VAL 27 HG12 VAL 27 -0.524 -2.332 -2.332 276 2HG1 VAL 27 HG11 VAL 27 -0.529 -4.068 -4.068 277 3HG1 VAL 27 HG13 VAL 27 -0.400 -3.476 -3.476 278 1HG2 VAL 27 HG23 VAL 27 -3.924 -3.765 -3.765 279 2HG2 VAL 27 HG22 VAL 27 -3.129 -5.185 -5.185 280 3HG2 VAL 27 HG21 VAL 27 -2.298 -4.201 -4.201 281 H LEU 28 HN LEU 28 -2.007 0.449 0.449 282 HA LEU 28 HA LEU 28 -1.819 1.005 1.005 283 1HB LEU 28 HB2 LEU 28 -0.528 2.847 2.847 284 2HB LEU 28 HB1 LEU 28 -1.484 3.235 3.235 285 HG LEU 28 HG LEU 28 -3.249 1.962 1.962 286 1HD1 LEU 28 HD12 LEU 28 -1.440 4.033 4.033 287 2HD1 LEU 28 HD11 LEU 28 -3.024 3.633 3.633 288 3HD1 LEU 28 HD13 LEU 28 -1.765 2.400 2.400 289 1HD2 LEU 28 HD23 LEU 28 -3.224 4.164 4.164 290 2HD2 LEU 28 HD22 LEU 28 -4.557 3.704 3.704 291 3HD2 LEU 28 HD21 LEU 28 -3.375 4.894 4.894 292 H ASN 29 HN ASN 29 0.207 -0.056 -0.056 293 HA ASN 29 HA ASN 29 2.443 -0.382 -0.382 294 1HB ASN 29 HB2 ASN 29 2.568 1.878 1.878 295 2HB ASN 29 HB1 ASN 29 3.081 0.857 0.857 296 1HD2 ASN 29 HD22 ASN 29 6.366 1.082 1.082 297 2HD2 ASN 29 HD21 ASN 29 5.321 1.376 1.376 298 H GLU 30 HN GLU 30 3.873 -2.028 -2.028 299 HA GLU 30 HA GLU 30 3.068 -3.770 -3.770 300 1HB GLU 30 HB2 GLU 30 4.345 -5.541 -5.541 301 2HB GLU 30 HB1 GLU 30 2.953 -4.923 -4.923 302 1HG GLU 30 HG2 GLU 30 4.247 -3.852 -3.852 303 2HG GLU 30 HG1 GLU 30 5.521 -3.499 -3.499 304 H GLU 31 HN GLU 31 5.261 -5.202 -5.202 305 HA GLU 31 HA GLU 31 7.401 -5.137 -5.137 306 1HB GLU 31 HB2 GLU 31 7.824 -2.420 -2.420 307 2HB GLU 31 HB1 GLU 31 9.044 -3.594 -3.594 308 1HG GLU 31 HG2 GLU 31 7.687 -5.118 -5.118 309 2HG GLU 31 HG1 GLU 31 7.342 -3.535 -3.535 310 H CYS 32 HN CYS 32 8.724 -2.971 -2.971 311 HA CYS 32 HA CYS 32 8.614 -1.316 -1.316 312 1HB CYS 32 HB2 CYS 32 5.613 -1.710 -1.710 313 2HB CYS 32 HB1 CYS 32 6.562 -0.346 -0.346 314 HG CYS 32 HG CYS 32 6.937 0.416 0.416 315 H ASP 33 HN ASP 33 7.047 -1.462 -1.462 316 HA ASP 33 HA ASP 33 8.287 -2.866 -2.866 317 1HB ASP 33 HB2 ASP 33 5.979 -1.589 -1.589 318 2HB ASP 33 HB1 ASP 33 5.357 -3.210 -3.210 319 H GLN 34 HN GLN 34 8.172 -4.809 -4.809 320 HA GLN 34 HA GLN 34 8.199 -7.089 -7.089 321 1HB GLN 34 HB2 GLN 34 8.392 -6.537 -6.537 322 2HB GLN 34 HB1 GLN 34 7.819 -8.153 -8.153 323 1HG GLN 34 HG2 GLN 34 9.805 -8.754 -8.754 324 2HG GLN 34 HG1 GLN 34 10.184 -7.096 -7.096 325 1HE2 GLN 34 HE22 GLN 34 12.519 -7.157 -7.157 326 2HE2 GLN 34 HE21 GLN 34 12.313 -7.120 -7.120 327 H ASN 35 HN ASN 35 6.339 -7.502 -7.502 328 HA ASN 35 HA ASN 35 4.307 -8.481 -8.481 329 1HB ASN 35 HB2 ASN 35 4.565 -8.937 -8.937 330 2HB ASN 35 HB1 ASN 35 2.963 -9.080 -9.080 331 1HD2 ASN 35 HD22 ASN 35 5.821 -11.857 -11.857 332 2HD2 ASN 35 HD21 ASN 35 6.217 -10.462 -10.462 333 H TRP 36 HN TRP 36 4.534 -5.402 -5.402 334 HA TRP 36 HA TRP 36 1.532 -5.156 -5.156 335 1HB TRP 36 HB2 TRP 36 3.471 -2.944 -2.944 336 2HB TRP 36 HB1 TRP 36 1.712 -2.896 -2.896 337 HD1 TRP 36 HD1 TRP 36 4.297 -5.541 -5.541 338 HE1 TRP 36 HE1 TRP 36 3.885 -6.033 -6.033 339 HE3 TRP 36 HE3 TRP 36 0.432 -2.268 -2.268 340 HZ2 TRP 36 HZ2 TRP 36 2.226 -5.163 -5.163 341 HZ3 TRP 36 HZ3 TRP 36 -0.472 -2.109 -2.109 342 HH2 TRP 36 HH2 TRP 36 0.405 -3.552 -3.552 343 H TYR 37 HN TYR 37 0.541 -4.302 -4.302 344 HA TYR 37 HA TYR 37 2.067 -3.576 -3.576 345 1HB TYR 37 HB2 TYR 37 -0.901 -3.787 -3.787 346 2HB TYR 37 HB1 TYR 37 -0.231 -3.377 -3.377 347 HD1 TYR 37 HD2 TYR 37 2.077 -5.238 -5.238 348 HD2 TYR 37 HD1 TYR 37 -1.902 -5.843 -5.843 349 HE1 TYR 37 HE2 TYR 37 2.229 -7.650 -7.650 350 HE2 TYR 37 HE1 TYR 37 -1.771 -8.243 -8.243 351 HH TYR 37 HH TYR 37 0.775 -9.519 -9.519 352 H LYS 38 HN LYS 38 0.896 -1.768 -1.768 353 HA LYS 38 HA LYS 38 0.307 0.592 0.592 354 1HB LYS 38 HB2 LYS 38 2.514 0.714 0.714 355 2HB LYS 38 HB1 LYS 38 1.509 0.706 0.706 356 1HG LYS 38 HG2 LYS 38 0.286 2.598 2.598 357 2HG LYS 38 HG1 LYS 38 2.008 2.867 2.867 358 1HD LYS 38 HD2 LYS 38 1.670 2.470 2.470 359 2HD LYS 38 HD1 LYS 38 0.386 3.563 3.563 360 1HE LYS 38 HE2 LYS 38 2.127 4.931 4.931 361 2HE LYS 38 HE1 LYS 38 3.355 3.910 3.910 362 1HZ LYS 38 HZ1 LYS 38 2.218 4.514 4.514 363 2HZ LYS 38 HZ3 LYS 38 1.451 5.753 5.753 364 3HZ LYS 38 HZ2 LYS 38 3.145 5.725 5.725 365 H ALA 39 HN ALA 39 -1.837 1.174 1.174 366 HA ALA 39 HA ALA 39 -3.003 0.739 0.739 367 1HB ALA 39 HB2 ALA 39 -3.212 -1.413 -1.413 368 2HB ALA 39 HB1 ALA 39 -4.108 -0.596 -0.596 369 3HB ALA 39 HB3 ALA 39 -4.782 -0.682 -0.682 370 H GLU 40 HN GLU 40 -5.542 1.065 1.065 371 HA GLU 40 HA GLU 40 -5.943 3.384 3.384 372 1HB GLU 40 HB2 GLU 40 -5.596 4.905 4.905 373 2HB GLU 40 HB1 GLU 40 -4.941 3.617 3.617 374 1HG GLU 40 HG2 GLU 40 -7.113 3.306 3.306 375 2HG GLU 40 HG1 GLU 40 -7.884 4.417 4.417 376 H LEU 41 HN LEU 41 -7.870 3.557 3.557 377 HA LEU 41 HA LEU 41 -9.996 1.839 1.839 378 1HB LEU 41 HB2 LEU 41 -9.449 2.883 2.883 379 2HB LEU 41 HB1 LEU 41 -11.142 2.653 2.653 380 HG LEU 41 HG LEU 41 -9.134 0.532 0.532 381 1HD1 LEU 41 HD11 LEU 41 -9.408 1.449 1.449 382 2HD1 LEU 41 HD13 LEU 41 -10.704 0.252 0.252 383 3HD1 LEU 41 HD12 LEU 41 -9.042 -0.228 -0.228 384 1HD2 LEU 41 HD23 LEU 41 -11.485 0.596 0.596 385 2HD2 LEU 41 HD22 LEU 41 -11.094 -0.862 -0.862 386 3HD2 LEU 41 HD21 LEU 41 -12.062 0.418 0.418 387 H ASN 42 HN ASN 42 -10.778 2.862 2.862 388 HA ASN 42 HA ASN 42 -11.921 4.495 4.495 389 1HB ASN 42 HB2 ASN 42 -13.248 4.048 4.048 390 2HB ASN 42 HB1 ASN 42 -13.848 5.380 5.380 391 1HD2 ASN 42 HD22 ASN 42 -15.343 1.924 1.924 392 2HD2 ASN 42 HD21 ASN 42 -14.988 2.562 2.562 393 H GLY 43 HN GLY 43 -9.663 5.721 5.721 394 1HA GLY 43 HA2 GLY 43 -9.622 8.322 8.322 395 2HA GLY 43 HA1 GLY 43 -10.769 8.383 8.383 396 H LYS 44 HN LYS 44 -9.449 6.380 6.380 397 HA LYS 44 HA LYS 44 -7.259 8.009 8.009 398 1HB LYS 44 HB2 LYS 44 -8.964 5.816 5.816 399 2HB LYS 44 HB1 LYS 44 -7.339 6.057 6.057 400 1HG LYS 44 HG2 LYS 44 -7.770 8.266 8.266 401 2HG LYS 44 HG1 LYS 44 -9.243 8.357 8.357 402 1HD LYS 44 HD2 LYS 44 -9.787 8.074 8.074 403 2HD LYS 44 HD1 LYS 44 -10.313 6.673 6.673 404 1HE LYS 44 HE2 LYS 44 -8.431 5.378 5.378 405 2HE LYS 44 HE1 LYS 44 -7.640 6.791 6.791 406 1HZ LYS 44 HZ2 LYS 44 -10.284 5.856 5.856 407 2HZ LYS 44 HZ1 LYS 44 -8.836 5.261 5.261 408 3HZ LYS 44 HZ3 LYS 44 -9.202 6.909 6.909 409 H ASP 45 HN ASP 45 -5.405 6.621 6.621 410 HA ASP 45 HA ASP 45 -4.825 4.247 4.247 411 1HB ASP 45 HB2 ASP 45 -3.634 4.960 4.960 412 2HB ASP 45 HB1 ASP 45 -4.690 6.343 6.343 413 H GLY 46 HN GLY 46 -2.265 3.874 3.874 414 1HA GLY 46 HA2 GLY 46 -0.258 4.640 4.640 415 2HA GLY 46 HA1 GLY 46 -1.341 4.642 4.642 416 H PHE 47 HN PHE 47 0.703 3.183 3.183 417 HA PHE 47 HA PHE 47 0.968 0.570 0.570 418 1HB PHE 47 HB2 PHE 47 1.657 1.845 1.845 419 2HB PHE 47 HB1 PHE 47 1.889 0.113 0.113 420 HD1 PHE 47 HD2 PHE 47 2.346 2.909 2.909 421 HD2 PHE 47 HD1 PHE 47 4.212 -0.184 -0.184 422 HE1 PHE 47 HE2 PHE 47 4.490 3.333 3.333 423 HE2 PHE 47 HE1 PHE 47 6.357 0.252 0.252 424 HZ PHE 47 HZ PHE 47 6.498 2.006 2.006 425 H ILE 48 HN ILE 48 0.290 -1.544 -1.544 426 HA ILE 48 HA ILE 48 -1.890 -1.484 -1.484 427 HB ILE 48 HB ILE 48 -3.353 -2.881 -2.881 428 1HG1 ILE 48 HG12 ILE 48 -1.630 -1.628 -1.628 429 2HG1 ILE 48 HG11 ILE 48 -1.435 -3.296 -3.296 430 1HG2 ILE 48 HG23 ILE 48 -3.802 -0.506 -0.506 431 2HG2 ILE 48 HG22 ILE 48 -2.789 -0.024 -0.024 432 3HG2 ILE 48 HG21 ILE 48 -4.282 -0.913 -0.913 433 1HD1 ILE 48 HD12 ILE 48 -4.213 -2.910 -2.910 434 2HD1 ILE 48 HD11 ILE 48 -3.355 -2.227 -2.227 435 3HD1 ILE 48 HD13 ILE 48 -3.090 -3.908 -3.908 436 HA PRO 49 HA PRO 49 0.346 -5.266 -5.266 437 1HB PRO 49 HB2 PRO 49 -1.361 -6.379 -6.379 438 2HB PRO 49 HB1 PRO 49 -0.139 -5.171 -5.171 439 1HG PRO 49 HG2 PRO 49 -3.099 -4.823 -4.823 440 2HG PRO 49 HG1 PRO 49 -1.960 -3.902 -3.902 441 1HD PRO 49 HD2 PRO 49 -2.976 -3.003 -3.003 442 2HD PRO 49 HD1 PRO 49 -1.537 -2.382 -2.382 443 H LYS 50 HN LYS 50 0.265 -6.657 -6.657 444 HA LYS 50 HA LYS 50 -2.012 -7.575 -7.575 445 1HB LYS 50 HB2 LYS 50 0.318 -7.680 -7.680 446 2HB LYS 50 HB1 LYS 50 0.648 -8.921 -8.921 447 1HG LYS 50 HG2 LYS 50 -1.153 -10.311 -10.311 448 2HG LYS 50 HG1 LYS 50 -1.190 -9.115 -9.115 449 1HD LYS 50 HD2 LYS 50 0.938 -9.651 -9.651 450 2HD LYS 50 HD1 LYS 50 1.488 -10.155 -10.155 451 1HE LYS 50 HE2 LYS 50 -0.689 -11.774 -11.774 452 2HE LYS 50 HE1 LYS 50 0.918 -11.921 -11.921 453 1HZ LYS 50 HZ2 LYS 50 1.785 -12.362 -12.362 454 2HZ LYS 50 HZ1 LYS 50 0.197 -12.344 -12.344 455 3HZ LYS 50 HZ3 LYS 50 0.666 -13.534 -13.534 456 H ASN 51 HN ASN 51 -0.840 -8.578 -8.578 457 HA ASN 51 HA ASN 51 -1.767 -11.190 -11.190 458 1HB ASN 51 HB2 ASN 51 -1.031 -9.154 -9.154 459 2HB ASN 51 HB1 ASN 51 -1.947 -10.493 -10.493 460 1HD2 ASN 51 HD22 ASN 51 1.960 -10.980 -10.980 461 2HD2 ASN 51 HD21 ASN 51 1.196 -9.467 -9.467 462 H TYR 52 HN TYR 52 -3.302 -8.143 -8.143 463 HA TYR 52 HA TYR 52 -5.909 -9.346 -9.346 464 1HB TYR 52 HB2 TYR 52 -4.806 -6.538 -6.538 465 2HB TYR 52 HB1 TYR 52 -6.531 -6.821 -6.821 466 HD1 TYR 52 HD2 TYR 52 -3.359 -7.915 -7.915 467 HD2 TYR 52 HD1 TYR 52 -7.499 -6.882 -6.882 468 HE1 TYR 52 HE2 TYR 52 -3.226 -8.092 -8.092 469 HE2 TYR 52 HE1 TYR 52 -7.353 -7.026 -7.026 470 HH TYR 52 HH TYR 52 -5.988 -8.125 -8.125 471 H ILE 53 HN ILE 53 -4.606 -9.719 -9.719 472 HA ILE 53 HA ILE 53 -6.745 -8.827 -8.827 473 HB ILE 53 HB ILE 53 -4.278 -8.086 -8.086 474 1HG1 ILE 53 HG12 ILE 53 -5.162 -6.357 -6.357 475 2HG1 ILE 53 HG11 ILE 53 -3.731 -7.377 -7.377 476 1HG2 ILE 53 HG23 ILE 53 -6.666 -7.591 -7.591 477 2HG2 ILE 53 HG22 ILE 53 -6.649 -6.337 -6.337 478 3HG2 ILE 53 HG21 ILE 53 -5.511 -6.277 -6.277 479 1HD1 ILE 53 HD12 ILE 53 -3.292 -6.094 -6.094 480 2HD1 ILE 53 HD11 ILE 53 -4.261 -4.865 -4.865 481 3HD1 ILE 53 HD13 ILE 53 -2.765 -5.435 -5.435 482 H GLU 54 HN GLU 54 -6.166 -9.413 -9.413 483 HA GLU 54 HA GLU 54 -4.376 -11.599 -11.599 484 1HB GLU 54 HB2 GLU 54 -7.201 -12.003 -12.003 485 2HB GLU 54 HB1 GLU 54 -6.670 -12.454 -12.454 486 1HG GLU 54 HG2 GLU 54 -5.094 -14.028 -14.028 487 2HG GLU 54 HG1 GLU 54 -5.251 -13.398 -13.398 488 H MET 55 HN MET 55 -4.032 -11.949 -11.949 489 HA MET 55 HA MET 55 -4.365 -9.376 -9.376 490 1HB MET 55 HB2 MET 55 -2.160 -10.722 -10.722 491 2HB MET 55 HB1 MET 55 -2.803 -11.710 -11.710 492 1HG MET 55 HG2 MET 55 -3.232 -9.444 -9.444 493 2HG MET 55 HG1 MET 55 -2.093 -8.784 -8.784 494 1HE MET 55 HE3 MET 55 -3.026 -11.333 -11.333 495 2HE MET 55 HE2 MET 55 -1.734 -11.375 -11.375 496 3HE MET 55 HE1 MET 55 -1.708 -12.506 -12.506 497 H LYS 56 HN LYS 56 -6.218 -9.200 -9.200 498 HA LYS 56 HA LYS 56 -7.121 -11.499 -11.499 499 1HB LYS 56 HB2 LYS 56 -8.414 -9.104 -9.104 500 2HB LYS 56 HB1 LYS 56 -9.045 -9.767 -9.767 501 1HG LYS 56 HG2 LYS 56 -9.414 -11.910 -11.910 502 2HG LYS 56 HG1 LYS 56 -8.490 -11.456 -11.456 503 1HD LYS 56 HD2 LYS 56 -10.941 -11.370 -11.370 504 2HD LYS 56 HD1 LYS 56 -10.190 -9.785 -9.785 505 1HE LYS 56 HE2 LYS 56 -11.050 -9.019 -9.019 506 2HE LYS 56 HE1 LYS 56 -11.394 -10.653 -10.653 507 1HZ LYS 56 HZ3 LYS 56 -12.748 -9.851 -9.851 508 2HZ LYS 56 HZ2 LYS 56 -13.242 -9.046 -9.046 509 3HZ LYS 56 HZ1 LYS 56 -13.329 -10.739 -10.739 510 HA PRO 57 HA PRO 57 -5.751 -9.720 -9.720 511 1HB PRO 57 HB2 PRO 57 -7.133 -11.228 -11.228 512 2HB PRO 57 HB1 PRO 57 -5.693 -11.790 -11.790 513 1HG PRO 57 HG2 PRO 57 -8.537 -12.451 -12.451 514 2HG PRO 57 HG1 PRO 57 -7.098 -13.386 -13.386 515 1HD PRO 57 HD2 PRO 57 -8.615 -11.899 -11.899 516 2HD PRO 57 HD1 PRO 57 -6.998 -12.583 -12.583 517 H HIS 58 HN HIS 58 -7.084 -9.347 -9.347 518 HA HIS 58 HA HIS 58 -9.646 -7.985 -7.985 519 1HB HIS 58 HB2 HIS 58 -7.091 -6.646 -6.646 520 2HB HIS 58 HB1 HIS 58 -8.389 -6.175 -6.175 521 HD1 HIS 58 HD1 HIS 58 -10.757 -6.367 -6.367 522 HD2 HIS 58 HD2 HIS 58 -7.149 -4.432 -4.432 523 HE1 HIS 58 HE1 HIS 58 -11.232 -4.674 -4.674 524 HA PRO 59 HA PRO 59 -10.258 -9.981 -9.981 525 1HB PRO 59 HB2 PRO 59 -12.818 -9.109 -9.109 526 2HB PRO 59 HB1 PRO 59 -12.431 -10.427 -10.427 527 1HG PRO 59 HG2 PRO 59 -13.271 -7.630 -7.630 528 2HG PRO 59 HG1 PRO 59 -13.452 -9.096 -9.096 529 1HD PRO 59 HD2 PRO 59 -11.485 -7.077 -7.077 530 2HD PRO 59 HD1 PRO 59 -11.502 -8.676 -8.676 531 H GLU 60 HN GLU 60 -12.229 -7.035 -7.035 532 HA GLU 60 HA GLU 60 -10.218 -5.746 -5.746 533 1HB GLU 60 HB2 GLU 60 -12.821 -6.835 -6.835 534 2HB GLU 60 HB1 GLU 60 -11.807 -5.662 -5.662 535 1HG GLU 60 HG2 GLU 60 -9.895 -7.302 -7.302 536 2HG GLU 60 HG1 GLU 60 -11.058 -8.483 -8.483 537 H PHE 61 HN PHE 61 -13.729 -5.759 -5.759 538 HA PHE 61 HA PHE 61 -13.680 -3.244 -3.244 539 1HB PHE 61 HB2 PHE 61 -13.373 -2.843 -2.843 540 2HB PHE 61 HB1 PHE 61 -15.132 -2.814 -2.814 541 HD1 PHE 61 HD1 PHE 61 -12.013 -1.342 -1.342 542 HD2 PHE 61 HD2 PHE 61 -16.255 -0.931 -0.931 543 HE1 PHE 61 HE1 PHE 61 -11.906 0.955 0.955 544 HE2 PHE 61 HE2 PHE 61 -16.148 1.367 1.367 545 HZ PHE 61 HZ PHE 61 -13.974 2.310 2.310 546 H ILE 62 HN ILE 62 -15.593 -3.050 -3.050 547 HA ILE 62 HA ILE 62 -17.496 -5.191 -5.191 548 HB ILE 62 HB ILE 62 -18.851 -3.685 -3.685 549 1HG1 ILE 62 HG12 ILE 62 -16.558 -1.750 -1.750 550 2HG1 ILE 62 HG11 ILE 62 -17.815 -1.614 -1.614 551 1HG2 ILE 62 HG23 ILE 62 -15.891 -4.036 -4.036 552 2HG2 ILE 62 HG22 ILE 62 -17.048 -3.524 -3.524 553 3HG2 ILE 62 HG21 ILE 62 -17.202 -5.113 -5.113 554 1HD1 ILE 62 HD13 ILE 62 -19.517 -1.619 -1.619 555 2HD1 ILE 62 HD12 ILE 62 -18.171 -1.495 -1.495 556 3HD1 ILE 62 HD11 ILE 62 -18.466 -0.203 -0.203 557 H VAL 63 HN VAL 63 -19.616 -5.257 -5.257 558 HA VAL 63 HA VAL 63 -20.186 -3.225 -3.225 559 HB VAL 63 HB VAL 63 -21.259 -6.052 -6.052 560 1HG1 VAL 63 HG12 VAL 63 -21.482 -3.832 -3.832 561 2HG1 VAL 63 HG11 VAL 63 -21.612 -5.514 -5.514 562 3HG1 VAL 63 HG13 VAL 63 -22.753 -4.862 -4.862 563 1HG2 VAL 63 HG23 VAL 63 -18.832 -4.893 -4.893 564 2HG2 VAL 63 HG22 VAL 63 -18.983 -6.396 -6.396 565 3HG2 VAL 63 HG21 VAL 63 -19.655 -6.279 -6.279 566 H THR 64 HN THR 64 -22.244 -2.269 -2.269 567 HA THR 64 HA THR 64 -24.242 -3.089 -3.089 568 HB THR 64 HB THR 64 -24.485 -0.556 -0.556 569 HG1 THR 64 HG1 THR 64 -22.416 0.490 0.490 570 1HG2 THR 64 HG23 THR 64 -23.541 -2.441 -2.441 571 2HG2 THR 64 HG22 THR 64 -21.948 -1.852 -1.852 572 3HG2 THR 64 HG21 THR 64 -23.054 -0.795 -0.795 573 H ASP 65 HN ASP 65 -26.383 -2.252 -2.252 574 HA ASP 65 HA ASP 65 -28.129 -1.686 -1.686 575 1HB ASP 65 HB2 ASP 65 -26.756 0.502 0.502 576 2HB ASP 65 HB1 ASP 65 -26.133 -0.015 -0.015 577 1H SER 1 HT3 SER 1 -13.258 -20.314 -20.314 578 2H SER 1 HT2 SER 1 -14.235 -18.932 -18.932 579 3H SER 1 HT1 SER 1 -14.820 -20.317 -20.317 580 HA SER 1 HA SER 1 -13.237 -20.063 -20.063 581 1HB SER 1 HB2 SER 1 -15.241 -18.881 -18.881 582 2HB SER 1 HB1 SER 1 -14.888 -17.650 -17.650 583 HG SER 1 HG SER 1 -14.495 -17.009 -17.009 584 HA PRO 2 HA PRO 2 -9.506 -17.927 -17.927 585 1HB PRO 2 HB2 PRO 2 -8.403 -17.650 -17.650 586 2HB PRO 2 HB1 PRO 2 -8.437 -19.182 -19.182 587 1HG PRO 2 HG2 PRO 2 -10.070 -18.352 -18.352 588 2HG PRO 2 HG1 PRO 2 -9.648 -19.982 -19.982 589 1HD PRO 2 HD2 PRO 2 -12.140 -18.657 -18.657 590 2HD PRO 2 HD1 PRO 2 -11.621 -20.182 -20.182 591 H LEU 3 HN LEU 3 -8.446 -15.819 -15.819 592 HA LEU 3 HA LEU 3 -9.976 -13.783 -13.783 593 1HB LEU 3 HB2 LEU 3 -9.675 -12.222 -12.222 594 2HB LEU 3 HB1 LEU 3 -10.871 -13.501 -13.501 595 HG LEU 3 HG LEU 3 -8.933 -14.875 -14.875 596 1HD1 LEU 3 HD13 LEU 3 -7.782 -12.107 -12.107 597 2HD1 LEU 3 HD12 LEU 3 -7.362 -13.146 -13.146 598 3HD1 LEU 3 HD11 LEU 3 -6.993 -13.657 -13.657 599 1HD2 LEU 3 HD22 LEU 3 -10.930 -13.439 -13.439 600 2HD2 LEU 3 HD21 LEU 3 -9.720 -14.247 -14.247 601 3HD2 LEU 3 HD23 LEU 3 -9.567 -12.525 -12.525 602 H LEU 4 HN LEU 4 -8.631 -11.587 -11.587 603 HA LEU 4 HA LEU 4 -5.712 -12.164 -12.164 604 1HB LEU 4 HB2 LEU 4 -5.554 -10.827 -10.827 605 2HB LEU 4 HB1 LEU 4 -6.183 -12.468 -12.468 606 HG LEU 4 HG LEU 4 -8.145 -10.253 -10.253 607 1HD1 LEU 4 HD11 LEU 4 -6.366 -9.752 -9.752 608 2HD1 LEU 4 HD13 LEU 4 -7.350 -10.905 -10.905 609 3HD1 LEU 4 HD12 LEU 4 -8.081 -9.435 -9.435 610 1HD2 LEU 4 HD23 LEU 4 -8.044 -13.002 -13.002 611 2HD2 LEU 4 HD22 LEU 4 -9.289 -12.242 -12.242 612 3HD2 LEU 4 HD21 LEU 4 -9.191 -11.881 -11.881 613 HA PRO 5 HA PRO 5 -6.480 -8.115 -8.115 614 1HB PRO 5 HB2 PRO 5 -4.396 -8.278 -8.278 615 2HB PRO 5 HB1 PRO 5 -5.999 -8.972 -8.972 616 1HG PRO 5 HG2 PRO 5 -3.457 -10.369 -10.369 617 2HG PRO 5 HG1 PRO 5 -4.868 -10.984 -10.984 618 1HD PRO 5 HD2 PRO 5 -4.245 -11.493 -11.493 619 2HD PRO 5 HD1 PRO 5 -5.787 -11.843 -11.843 620 H LYS 6 HN LYS 6 -3.039 -9.121 -9.121 621 HA LYS 6 HA LYS 6 -2.391 -6.556 -6.556 622 1HB LYS 6 HB2 LYS 6 -0.491 -8.646 -8.646 623 2HB LYS 6 HB1 LYS 6 -0.085 -7.004 -7.004 624 1HG LYS 6 HG2 LYS 6 -0.782 -6.113 -6.113 625 2HG LYS 6 HG1 LYS 6 -2.244 -7.099 -7.099 626 1HD LYS 6 HD2 LYS 6 -1.202 -8.856 -8.856 627 2HD LYS 6 HD1 LYS 6 0.400 -8.419 -8.419 628 1HE LYS 6 HE2 LYS 6 0.038 -6.241 -6.241 629 2HE LYS 6 HE1 LYS 6 -1.174 -7.205 -7.205 630 1HZ LYS 6 HZ3 LYS 6 0.746 -8.940 -8.940 631 2HZ LYS 6 HZ2 LYS 6 1.736 -7.574 -7.574 632 3HZ LYS 6 HZ1 LYS 6 0.695 -7.681 -7.681 633 H LEU 7 HN LEU 7 -0.167 -7.182 -7.182 634 HA LEU 7 HA LEU 7 -1.162 -8.362 -8.362 635 1HB LEU 7 HB2 LEU 7 1.663 -7.896 -7.896 636 2HB LEU 7 HB1 LEU 7 1.230 -8.354 -8.354 637 HG LEU 7 HG LEU 7 -0.144 -6.031 -6.031 638 1HD1 LEU 7 HD13 LEU 7 2.624 -6.071 -6.071 639 2HD1 LEU 7 HD12 LEU 7 1.651 -4.601 -4.601 640 3HD1 LEU 7 HD11 LEU 7 2.125 -5.422 -5.422 641 1HD2 LEU 7 HD22 LEU 7 -0.881 -7.046 -7.046 642 2HD2 LEU 7 HD21 LEU 7 -0.466 -5.331 -5.331 643 3HD2 LEU 7 HD23 LEU 7 0.676 -6.540 -6.540 644 HA PRO 8 HA PRO 8 -0.670 -12.653 -12.653 645 1HB PRO 8 HB2 PRO 8 -1.032 -13.802 -13.802 646 2HB PRO 8 HB1 PRO 8 -2.355 -13.180 -13.180 647 1HG PRO 8 HG2 PRO 8 -1.152 -11.991 -11.991 648 2HG PRO 8 HG1 PRO 8 -2.780 -11.784 -11.784 649 1HD PRO 8 HD2 PRO 8 -0.641 -9.933 -9.933 650 2HD PRO 8 HD1 PRO 8 -2.167 -9.888 -9.888 651 HA PRO 9 HA PRO 9 3.690 -13.017 -13.017 652 1HB PRO 9 HB2 PRO 9 4.513 -14.524 -14.524 653 2HB PRO 9 HB1 PRO 9 4.352 -12.758 -12.758 654 1HG PRO 9 HG2 PRO 9 2.594 -14.832 -14.832 655 2HG PRO 9 HG1 PRO 9 2.833 -13.142 -13.142 656 1HD PRO 9 HD2 PRO 9 0.631 -14.186 -14.186 657 2HD PRO 9 HD1 PRO 9 1.006 -12.473 -12.473 658 H LYS 10 HN LYS 10 1.248 -15.393 -15.393 659 HA LYS 10 HA LYS 10 2.684 -17.837 -17.837 660 1HB LYS 10 HB2 LYS 10 -0.017 -16.922 -16.922 661 2HB LYS 10 HB1 LYS 10 0.587 -18.504 -18.504 662 1HG LYS 10 HG2 LYS 10 -0.415 -19.131 -19.131 663 2HG LYS 10 HG1 LYS 10 1.160 -18.664 -18.664 664 1HD LYS 10 HD2 LYS 10 0.364 -16.701 -16.701 665 2HD LYS 10 HD1 LYS 10 -0.901 -16.524 -16.524 666 1HE LYS 10 HE2 LYS 10 -2.332 -18.030 -18.030 667 2HE LYS 10 HE1 LYS 10 -1.012 -18.807 -18.807 668 1HZ LYS 10 HZ3 LYS 10 -1.895 -16.012 -16.012 669 2HZ LYS 10 HZ2 LYS 10 -2.403 -17.336 -17.336 670 3HZ LYS 10 HZ1 LYS 10 -0.765 -16.887 -16.887 671 H THR 11 HN THR 11 3.558 -18.966 -18.966 672 HA THR 11 HA THR 11 4.306 -17.297 -17.297 673 HB THR 11 HB THR 11 5.081 -20.173 -20.173 674 HG1 THR 11 HG1 THR 11 5.451 -19.739 -19.739 675 1HG2 THR 11 HG23 THR 11 5.828 -18.369 -18.369 676 2HG2 THR 11 HG22 THR 11 6.825 -17.750 -17.750 677 3HG2 THR 11 HG21 THR 11 7.073 -19.391 -19.391 678 H TYR 12 HN TYR 12 3.136 -20.683 -20.683 679 HA TYR 12 HA TYR 12 1.039 -20.119 -20.119 680 1HB TYR 12 HB2 TYR 12 1.908 -22.113 -22.113 681 2HB TYR 12 HB1 TYR 12 2.686 -20.546 -20.546 682 HD1 TYR 12 HD1 TYR 12 4.924 -20.114 -20.114 683 HD2 TYR 12 HD2 TYR 12 3.077 -23.982 -23.982 684 HE1 TYR 12 HE1 TYR 12 7.110 -21.113 -21.113 685 HE2 TYR 12 HE2 TYR 12 5.265 -24.981 -24.981 686 HH TYR 12 HH TYR 12 8.158 -23.497 -23.497 687 H LYS 13 HN LYS 13 -0.280 -20.786 -20.786 688 HA LYS 13 HA LYS 13 -0.503 -23.738 -23.738 689 1HB LYS 13 HB2 LYS 13 0.181 -21.861 -21.861 690 2HB LYS 13 HB1 LYS 13 -1.033 -23.087 -23.087 691 1HG LYS 13 HG2 LYS 13 0.465 -24.868 -24.868 692 2HG LYS 13 HG1 LYS 13 1.645 -23.718 -23.718 693 1HD LYS 13 HD2 LYS 13 1.892 -22.765 -22.765 694 2HD LYS 13 HD1 LYS 13 0.799 -24.011 -24.011 695 1HE LYS 13 HE2 LYS 13 2.988 -24.867 -24.867 696 2HE LYS 13 HE1 LYS 13 2.403 -25.712 -25.712 697 1HZ LYS 13 HZ1 LYS 13 3.580 -24.110 -24.110 698 2HZ LYS 13 HZ3 LYS 13 4.155 -23.315 -23.315 699 3HZ LYS 13 HZ2 LYS 13 4.650 -24.907 -24.907 700 H ARG 14 HN ARG 14 -2.644 -24.427 -24.427 701 HA ARG 14 HA ARG 14 -4.977 -24.279 -24.279 702 1HB ARG 14 HB2 ARG 14 -4.223 -21.841 -21.841 703 2HB ARG 14 HB1 ARG 14 -5.907 -22.142 -22.142 704 1HG ARG 14 HG2 ARG 14 -5.895 -24.271 -24.271 705 2HG ARG 14 HG1 ARG 14 -4.147 -24.203 -24.203 706 1HD ARG 14 HD2 ARG 14 -4.317 -22.439 -22.439 707 2HD ARG 14 HD1 ARG 14 -5.994 -22.108 -22.108 708 HE ARG 14 HE ARG 14 -6.631 -24.185 -24.185 709 1HH1 ARG 14 HH11 ARG 14 -4.206 -22.395 -22.395 710 2HH1 ARG 14 HH12 ARG 14 -3.518 -23.665 -23.665 711 1HH2 ARG 14 HH21 ARG 14 -5.384 -26.170 -26.170 712 2HH2 ARG 14 HH22 ARG 14 -4.184 -25.802 -25.802 713 H GLU 15 HN GLU 15 -4.699 -20.737 -20.737 714 HA GLU 15 HA GLU 15 -5.098 -20.887 -20.887 715 1HB GLU 15 HB2 GLU 15 -7.020 -19.809 -19.809 716 2HB GLU 15 HB1 GLU 15 -6.884 -18.984 -18.984 717 1HG GLU 15 HG2 GLU 15 -8.471 -20.542 -20.542 718 2HG GLU 15 HG1 GLU 15 -7.031 -21.512 -21.512 Start of MODEL 11 1 1H GLY -8 HT1 GLY -8 9.386 -4.035 -4.035 2 2H GLY -8 HT3 GLY -8 9.784 -5.134 -5.134 3 3H GLY -8 HT2 GLY -8 8.615 -3.935 -3.935 4 1HA GLY -8 HA1 GLY -8 10.508 -3.007 -3.007 5 2HA GLY -8 HA2 GLY -8 11.684 -3.744 -3.744 6 H SER -7 HN SER -7 8.661 -1.964 -1.964 7 HA SER -7 HA SER -7 9.510 0.701 0.701 8 1HB SER -7 HB2 SER -7 9.430 0.116 0.116 9 2HB SER -7 HB1 SER -7 9.862 1.639 1.639 10 HG SER -7 HG SER -7 11.702 0.413 0.413 11 H ARG -6 HN ARG -6 7.727 2.030 2.030 12 HA ARG -6 HA ARG -6 5.195 0.983 0.983 13 1HB ARG -6 HB2 ARG -6 4.071 2.332 2.332 14 2HB ARG -6 HB1 ARG -6 5.015 0.955 0.955 15 1HG ARG -6 HG2 ARG -6 6.491 2.278 2.278 16 2HG ARG -6 HG1 ARG -6 6.608 3.416 3.416 17 1HD ARG -6 HD2 ARG -6 4.811 4.697 4.697 18 2HD ARG -6 HD1 ARG -6 4.099 3.355 3.355 19 HE ARG -6 HE ARG -6 6.552 4.811 4.811 20 1HH1 ARG -6 HH21 ARG -6 6.578 2.670 2.670 21 2HH1 ARG -6 HH22 ARG -6 5.363 2.948 2.948 22 1HH2 ARG -6 HH11 ARG -6 3.701 5.357 5.357 23 2HH2 ARG -6 HH12 ARG -6 3.735 4.471 4.471 24 H ARG -5 HN ARG -5 5.318 2.126 2.126 25 HA ARG -5 HA ARG -5 5.807 5.023 5.023 26 1HB ARG -5 HB2 ARG -5 4.855 3.249 3.249 27 2HB ARG -5 HB1 ARG -5 5.544 4.867 4.867 28 1HG ARG -5 HG2 ARG -5 7.691 4.113 4.113 29 2HG ARG -5 HG1 ARG -5 7.037 2.543 2.543 30 1HD ARG -5 HD2 ARG -5 6.503 2.079 2.079 31 2HD ARG -5 HD1 ARG -5 7.221 3.626 3.626 32 HE ARG -5 HE ARG -5 8.737 1.303 1.303 33 1HH1 ARG -5 HH11 ARG -5 10.176 3.745 3.745 34 2HH1 ARG -5 HH12 ARG -5 11.120 4.063 4.063 35 1HH2 ARG -5 HH21 ARG -5 9.249 1.977 1.977 36 2HH2 ARG -5 HH22 ARG -5 10.595 3.063 3.063 37 H ALA -4 HN ALA -4 3.962 5.507 5.507 38 HA ALA -4 HA ALA -4 1.789 6.316 6.316 39 1HB ALA -4 HB2 ALA -4 2.496 7.237 7.237 40 2HB ALA -4 HB1 ALA -4 1.101 6.253 6.253 41 3HB ALA -4 HB3 ALA -4 0.922 7.560 7.560 42 H SER -3 HN SER -3 1.879 3.712 3.712 43 HA SER -3 HA SER -3 -0.530 2.577 2.577 44 1HB SER -3 HB2 SER -3 1.856 1.468 1.468 45 2HB SER -3 HB1 SER -3 1.514 0.791 0.791 46 HG SER -3 HG SER -3 -0.115 -0.338 -0.338 47 H VAL -2 HN VAL -2 -2.207 2.432 2.432 48 HA VAL -2 HA VAL -2 -1.631 2.313 2.313 49 HB VAL -2 HB VAL -2 -4.247 2.907 2.907 50 1HG1 VAL -2 HG12 VAL -2 -3.353 3.101 3.101 51 2HG1 VAL -2 HG11 VAL -2 -4.821 3.862 3.862 52 3HG1 VAL -2 HG13 VAL -2 -4.655 2.106 2.106 53 1HG2 VAL -2 HG22 VAL -2 -2.089 4.521 4.521 54 2HG2 VAL -2 HG21 VAL -2 -3.730 5.152 5.152 55 3HG2 VAL -2 HG23 VAL -2 -2.720 5.001 5.001 56 H GLY -1 HN GLY -1 -2.040 0.439 0.439 57 1HA GLY -1 HA2 GLY -1 -4.154 -1.393 -1.393 58 2HA GLY -1 HA1 GLY -1 -2.585 -2.016 -2.016 59 H SER 0 HN SER 0 -4.278 -0.715 -0.715 60 HA SER 0 HA SER 0 -2.344 -2.121 -2.121 61 1HB SER 0 HB2 SER 0 -3.917 -0.998 -0.998 62 2HB SER 0 HB1 SER 0 -2.762 -0.003 -0.003 63 HG SER 0 HG SER 0 -4.446 1.065 1.065 64 H MET 1 HN MET 1 -3.252 -3.462 -3.462 65 HA MET 1 HA MET 1 -5.670 -4.957 -4.957 66 1HB MET 1 HB2 MET 1 -3.100 -5.815 -5.815 67 2HB MET 1 HB1 MET 1 -4.562 -6.709 -6.709 68 1HG MET 1 HG2 MET 1 -3.575 -7.780 -7.780 69 2HG MET 1 HG1 MET 1 -5.050 -6.965 -6.965 70 1HE MET 1 HE1 MET 1 -4.102 -7.666 -7.666 71 2HE MET 1 HE3 MET 1 -3.462 -6.430 -6.430 72 3HE MET 1 HE2 MET 1 -2.372 -7.570 -7.570 73 H GLU 2 HN GLU 2 -6.392 -6.294 -6.294 74 HA GLU 2 HA GLU 2 -6.761 -4.172 -4.172 75 1HB GLU 2 HB2 GLU 2 -8.704 -5.363 -5.363 76 2HB GLU 2 HB1 GLU 2 -8.914 -6.101 -6.101 77 1HG GLU 2 HG2 GLU 2 -9.368 -4.045 -4.045 78 2HG GLU 2 HG1 GLU 2 -8.613 -3.120 -3.120 79 H ALA 3 HN ALA 3 -7.628 -5.382 -5.382 80 HA ALA 3 HA ALA 3 -6.632 -8.091 -8.091 81 1HB ALA 3 HB3 ALA 3 -5.224 -5.726 -5.726 82 2HB ALA 3 HB2 ALA 3 -5.326 -7.160 -7.160 83 3HB ALA 3 HB1 ALA 3 -4.587 -7.268 -7.268 84 H ILE 4 HN ILE 4 -8.189 -9.019 -9.019 85 HA ILE 4 HA ILE 4 -10.256 -7.704 -7.704 86 HB ILE 4 HB ILE 4 -10.626 -9.842 -9.842 87 1HG1 ILE 4 HG12 ILE 4 -10.727 -10.858 -10.858 88 2HG1 ILE 4 HG11 ILE 4 -11.332 -9.205 -9.205 89 1HG2 ILE 4 HG23 ILE 4 -8.113 -10.479 -10.479 90 2HG2 ILE 4 HG22 ILE 4 -9.335 -11.716 -11.716 91 3HG2 ILE 4 HG21 ILE 4 -8.917 -11.272 -11.272 92 1HD1 ILE 4 HD13 ILE 4 -12.171 -11.417 -11.417 93 2HD1 ILE 4 HD12 ILE 4 -13.047 -10.992 -10.992 94 3HD1 ILE 4 HD11 ILE 4 -12.887 -9.818 -9.818 95 H ALA 5 HN ALA 5 -10.233 -6.784 -6.784 96 HA ALA 5 HA ALA 5 -8.117 -7.215 -7.215 97 1HB ALA 5 HB2 ALA 5 -10.811 -5.799 -5.799 98 2HB ALA 5 HB1 ALA 5 -9.575 -5.789 -5.789 99 3HB ALA 5 HB3 ALA 5 -9.249 -5.031 -5.031 100 H LYS 6 HN LYS 6 -8.158 -9.256 -9.256 101 HA LYS 6 HA LYS 6 -10.453 -10.923 -10.923 102 1HB LYS 6 HB2 LYS 6 -7.887 -11.019 -11.019 103 2HB LYS 6 HB1 LYS 6 -9.053 -12.333 -12.333 104 1HG LYS 6 HG2 LYS 6 -8.575 -12.624 -12.624 105 2HG LYS 6 HG1 LYS 6 -7.818 -11.038 -11.038 106 1HD LYS 6 HD2 LYS 6 -6.094 -12.754 -12.754 107 2HD LYS 6 HD1 LYS 6 -5.988 -11.816 -11.816 108 1HE LYS 6 HE2 LYS 6 -6.515 -13.613 -13.613 109 2HE LYS 6 HE1 LYS 6 -7.794 -14.138 -14.138 110 1HZ LYS 6 HZ2 LYS 6 -5.906 -14.854 -14.854 111 2HZ LYS 6 HZ1 LYS 6 -4.894 -14.690 -14.690 112 3HZ LYS 6 HZ3 LYS 6 -6.179 -15.795 -15.795 113 H TYR 7 HN TYR 7 -9.201 -8.418 -8.418 114 HA TYR 7 HA TYR 7 -11.540 -8.789 -8.789 115 1HB TYR 7 HB2 TYR 7 -8.807 -8.553 -8.553 116 2HB TYR 7 HB1 TYR 7 -10.315 -9.038 -9.038 117 HD1 TYR 7 HD2 TYR 7 -11.357 -11.274 -11.274 118 HD2 TYR 7 HD1 TYR 7 -7.369 -10.127 -10.127 119 HE1 TYR 7 HE2 TYR 7 -10.804 -13.645 -13.645 120 HE2 TYR 7 HE1 TYR 7 -6.803 -12.485 -12.485 121 HH TYR 7 HH TYR 7 -8.271 -14.971 -14.971 122 H ASP 8 HN ASP 8 -11.104 -7.098 -7.098 123 HA ASP 8 HA ASP 8 -11.142 -4.541 -4.541 124 1HB ASP 8 HB2 ASP 8 -11.964 -3.675 -3.675 125 2HB ASP 8 HB1 ASP 8 -12.738 -5.239 -5.239 126 H PHE 9 HN PHE 9 -9.895 -2.699 -2.699 127 HA PHE 9 HA PHE 9 -7.574 -2.908 -2.908 128 1HB PHE 9 HB2 PHE 9 -7.180 -4.194 -4.194 129 2HB PHE 9 HB1 PHE 9 -6.651 -2.564 -2.564 130 HD1 PHE 9 HD2 PHE 9 -6.411 -4.949 -4.949 131 HD2 PHE 9 HD1 PHE 9 -4.431 -2.046 -2.046 132 HE1 PHE 9 HE2 PHE 9 -4.280 -5.363 -5.363 133 HE2 PHE 9 HE1 PHE 9 -2.312 -2.434 -2.434 134 HZ PHE 9 HZ PHE 9 -2.239 -4.092 -4.092 135 H LYS 10 HN LYS 10 -6.071 -0.908 -0.908 136 HA LYS 10 HA LYS 10 -7.536 1.282 1.282 137 1HB LYS 10 HB2 LYS 10 -7.508 2.744 2.744 138 2HB LYS 10 HB1 LYS 10 -8.237 1.228 1.228 139 1HG LYS 10 HG2 LYS 10 -5.877 0.538 0.538 140 2HG LYS 10 HG1 LYS 10 -5.442 2.235 2.235 141 1HD LYS 10 HD2 LYS 10 -7.761 1.290 1.290 142 2HD LYS 10 HD1 LYS 10 -6.152 1.637 1.637 143 1HE LYS 10 HE2 LYS 10 -6.387 3.939 3.939 144 2HE LYS 10 HE1 LYS 10 -8.099 3.552 3.552 145 1HZ LYS 10 HZ2 LYS 10 -8.037 3.044 3.044 146 2HZ LYS 10 HZ1 LYS 10 -6.526 3.818 3.818 147 3HZ LYS 10 HZ3 LYS 10 -7.909 4.681 4.681 148 H ALA 11 HN ALA 11 -6.140 3.342 3.342 149 HA ALA 11 HA ALA 11 -3.538 2.538 2.538 150 1HB ALA 11 HB3 ALA 11 -5.115 4.479 4.479 151 2HB ALA 11 HB2 ALA 11 -4.272 5.407 5.407 152 3HB ALA 11 HB1 ALA 11 -3.355 4.656 4.656 153 H THR 12 HN THR 12 -1.666 2.662 2.662 154 HA THR 12 HA THR 12 -1.859 3.922 3.922 155 HB THR 12 HB THR 12 -0.158 2.273 2.273 156 HG1 THR 12 HG1 THR 12 0.958 1.457 1.457 157 1HG2 THR 12 HG21 THR 12 -2.785 1.851 1.851 158 2HG2 THR 12 HG23 THR 12 -2.216 0.599 0.599 159 3HG2 THR 12 HG22 THR 12 -1.695 0.593 0.593 160 H ALA 13 HN ALA 13 -1.187 5.526 5.526 161 HA ALA 13 HA ALA 13 1.227 6.768 6.768 162 1HB ALA 13 HB1 ALA 13 1.529 4.689 4.689 163 2HB ALA 13 HB3 ALA 13 2.492 6.168 6.168 164 3HB ALA 13 HB2 ALA 13 2.634 5.103 5.103 165 H ASP 14 HN ASP 14 2.096 8.156 8.156 166 HA ASP 14 HA ASP 14 -0.221 9.600 9.600 167 1HB ASP 14 HB2 ASP 14 1.964 10.483 10.483 168 2HB ASP 14 HB1 ASP 14 2.640 10.245 10.245 169 H ASP 15 HN ASP 15 1.285 6.922 6.922 170 HA ASP 15 HA ASP 15 0.653 7.569 7.569 171 1HB ASP 15 HB2 ASP 15 3.303 6.816 6.816 172 2HB ASP 15 HB1 ASP 15 2.821 6.066 6.066 173 H GLU 16 HN GLU 16 -0.550 5.919 5.919 174 HA GLU 16 HA GLU 16 -0.328 3.228 3.228 175 1HB GLU 16 HB2 GLU 16 0.094 3.669 3.669 176 2HB GLU 16 HB1 GLU 16 -1.661 3.754 3.754 177 1HG GLU 16 HG2 GLU 16 -1.943 1.542 1.542 178 2HG GLU 16 HG1 GLU 16 -0.530 1.477 1.477 179 H LEU 17 HN LEU 17 -2.558 2.021 2.021 180 HA LEU 17 HA LEU 17 -4.737 3.933 3.933 181 1HB LEU 17 HB2 LEU 17 -3.773 3.024 3.024 182 2HB LEU 17 HB1 LEU 17 -4.031 1.390 1.390 183 HG LEU 17 HG LEU 17 -6.526 2.049 2.049 184 1HD1 LEU 17 HD12 LEU 17 -5.579 4.547 4.547 185 2HD1 LEU 17 HD11 LEU 17 -6.091 3.979 3.979 186 3HD1 LEU 17 HD13 LEU 17 -7.245 4.029 4.029 187 1HD2 LEU 17 HD22 LEU 17 -4.886 1.331 1.331 188 2HD2 LEU 17 HD21 LEU 17 -6.340 0.562 0.562 189 3HD2 LEU 17 HD23 LEU 17 -6.479 1.983 1.983 190 H SER 18 HN SER 18 -6.656 3.536 3.536 191 HA SER 18 HA SER 18 -6.898 1.267 1.267 192 1HB SER 18 HB2 SER 18 -8.692 2.533 2.533 193 2HB SER 18 HB1 SER 18 -7.437 3.676 3.676 194 HG SER 18 HG SER 18 -8.506 4.214 4.214 195 H PHE 19 HN PHE 19 -9.103 0.180 0.180 196 HA PHE 19 HA PHE 19 -10.928 0.179 0.179 197 1HB PHE 19 HB2 PHE 19 -10.283 -1.919 -1.919 198 2HB PHE 19 HB1 PHE 19 -9.075 -0.657 -0.657 199 HD1 PHE 19 HD1 PHE 19 -9.908 -3.691 -3.691 200 HD2 PHE 19 HD2 PHE 19 -6.835 -0.964 -0.964 201 HE1 PHE 19 HE1 PHE 19 -8.180 -5.192 -5.192 202 HE2 PHE 19 HE2 PHE 19 -5.110 -2.461 -2.461 203 HZ PHE 19 HZ PHE 19 -5.782 -4.576 -4.576 204 H LYS 20 HN LYS 20 -12.322 -1.893 -1.893 205 HA LYS 20 HA LYS 20 -12.246 -2.992 -2.992 206 1HB LYS 20 HB2 LYS 20 -14.650 -2.497 -2.497 207 2HB LYS 20 HB1 LYS 20 -14.683 -3.116 -3.116 208 1HG LYS 20 HG2 LYS 20 -13.374 -0.497 -0.497 209 2HG LYS 20 HG1 LYS 20 -15.097 -0.601 -0.601 210 1HD LYS 20 HD2 LYS 20 -14.734 -1.252 -1.252 211 2HD LYS 20 HD1 LYS 20 -13.115 -1.863 -1.863 212 1HE LYS 20 HE2 LYS 20 -12.614 0.655 0.655 213 2HE LYS 20 HE1 LYS 20 -14.021 0.967 0.967 214 1HZ LYS 20 HZ2 LYS 20 -12.861 -0.576 -0.576 215 2HZ LYS 20 HZ1 LYS 20 -11.460 -0.299 -0.299 216 3HZ LYS 20 HZ3 LYS 20 -12.255 1.001 1.001 217 H ARG 21 HN ARG 21 -13.791 -5.035 -5.035 218 HA ARG 21 HA ARG 21 -12.482 -7.034 -7.034 219 1HB ARG 21 HB2 ARG 21 -13.494 -7.331 -7.331 220 2HB ARG 21 HB1 ARG 21 -15.083 -7.262 -7.262 221 1HG ARG 21 HG2 ARG 21 -14.801 -9.297 -9.297 222 2HG ARG 21 HG1 ARG 21 -13.040 -9.161 -9.161 223 1HD ARG 21 HD2 ARG 21 -12.831 -10.043 -10.043 224 2HD ARG 21 HD1 ARG 21 -14.260 -9.209 -9.209 225 HE ARG 21 HE ARG 21 -14.770 -11.457 -11.457 226 1HH1 ARG 21 HH11 ARG 21 -17.066 -11.156 -11.156 227 2HH1 ARG 21 HH12 ARG 21 -16.897 -12.022 -12.022 228 1HH2 ARG 21 HH21 ARG 21 -13.438 -12.190 -12.190 229 2HH2 ARG 21 HH22 ARG 21 -14.843 -12.607 -12.607 230 H GLY 22 HN GLY 22 -12.851 -7.082 -7.082 231 1HA GLY 22 HA2 GLY 22 -14.411 -7.904 -7.904 232 2HA GLY 22 HA1 GLY 22 -15.703 -7.041 -7.041 233 H ASP 23 HN ASP 23 -12.999 -5.069 -5.069 234 HA ASP 23 HA ASP 23 -13.974 -3.523 -3.523 235 1HB ASP 23 HB2 ASP 23 -13.191 -2.822 -2.822 236 2HB ASP 23 HB1 ASP 23 -11.853 -2.297 -2.297 237 H ILE 24 HN ILE 24 -12.971 -4.131 -4.131 238 HA ILE 24 HA ILE 24 -10.223 -5.142 -5.142 239 HB ILE 24 HB ILE 24 -11.796 -4.574 -4.574 240 1HG1 ILE 24 HG12 ILE 24 -12.118 -6.841 -6.841 241 2HG1 ILE 24 HG11 ILE 24 -13.379 -5.819 -5.819 242 1HG2 ILE 24 HG22 ILE 24 -9.271 -5.423 -5.423 243 2HG2 ILE 24 HG21 ILE 24 -10.087 -6.977 -6.977 244 3HG2 ILE 24 HG23 ILE 24 -10.255 -5.989 -5.989 245 1HD1 ILE 24 HD12 ILE 24 -12.389 -6.927 -6.927 246 2HD1 ILE 24 HD11 ILE 24 -12.085 -8.232 -8.232 247 3HD1 ILE 24 HD13 ILE 24 -13.724 -7.623 -7.623 248 H LEU 25 HN LEU 25 -8.414 -4.075 -4.075 249 HA LEU 25 HA LEU 25 -8.751 -1.136 -1.136 250 1HB LEU 25 HB2 LEU 25 -6.084 -2.441 -2.441 251 2HB LEU 25 HB1 LEU 25 -6.604 -0.807 -0.807 252 HG LEU 25 HG LEU 25 -6.574 -1.834 -1.834 253 1HD1 LEU 25 HD11 LEU 25 -9.002 -1.061 -1.061 254 2HD1 LEU 25 HD13 LEU 25 -9.360 -2.716 -2.716 255 3HD1 LEU 25 HD12 LEU 25 -8.723 -1.599 -1.599 256 1HD2 LEU 25 HD22 LEU 25 -6.485 -4.189 -4.189 257 2HD2 LEU 25 HD21 LEU 25 -6.697 -4.077 -4.077 258 3HD2 LEU 25 HD23 LEU 25 -8.104 -4.285 -4.285 259 H LYS 26 HN LYS 26 -7.162 -0.071 -0.071 260 HA LYS 26 HA LYS 26 -6.864 -1.819 -1.819 261 1HB LYS 26 HB2 LYS 26 -7.219 1.139 1.139 262 2HB LYS 26 HB1 LYS 26 -6.458 0.551 0.551 263 1HG LYS 26 HG2 LYS 26 -8.452 -1.003 -1.003 264 2HG LYS 26 HG1 LYS 26 -9.226 -0.098 -0.098 265 1HD LYS 26 HD2 LYS 26 -9.581 1.743 1.743 266 2HD LYS 26 HD1 LYS 26 -8.052 1.550 1.550 267 1HE LYS 26 HE2 LYS 26 -9.315 -0.625 -0.625 268 2HE LYS 26 HE1 LYS 26 -10.726 0.379 0.379 269 1HZ LYS 26 HZ2 LYS 26 -8.376 1.303 1.303 270 2HZ LYS 26 HZ1 LYS 26 -9.774 0.647 0.647 271 3HZ LYS 26 HZ3 LYS 26 -9.870 2.091 2.091 272 H VAL 27 HN VAL 27 -4.840 -2.778 -2.778 273 HA VAL 27 HA VAL 27 -2.590 -1.535 -1.535 274 HB VAL 27 HB VAL 27 -2.589 -3.712 -3.712 275 1HG1 VAL 27 HG11 VAL 27 -0.423 -2.311 -2.311 276 2HG1 VAL 27 HG13 VAL 27 -0.518 -3.676 -3.676 277 3HG1 VAL 27 HG12 VAL 27 -0.352 -3.961 -3.961 278 1HG2 VAL 27 HG23 VAL 27 -4.001 -4.222 -4.222 279 2HG2 VAL 27 HG22 VAL 27 -2.575 -5.253 -5.253 280 3HG2 VAL 27 HG21 VAL 27 -2.616 -3.890 -3.890 281 H LEU 28 HN LEU 28 -1.796 0.356 0.356 282 HA LEU 28 HA LEU 28 -1.654 1.038 1.038 283 1HB LEU 28 HB2 LEU 28 -0.330 2.732 2.732 284 2HB LEU 28 HB1 LEU 28 -1.176 3.231 3.231 285 HG LEU 28 HG LEU 28 -3.087 1.950 1.950 286 1HD1 LEU 28 HD12 LEU 28 -1.304 3.976 3.976 287 2HD1 LEU 28 HD11 LEU 28 -2.926 3.596 3.596 288 3HD1 LEU 28 HD13 LEU 28 -1.689 2.343 2.343 289 1HD2 LEU 28 HD21 LEU 28 -2.923 4.160 4.160 290 2HD2 LEU 28 HD23 LEU 28 -4.320 3.728 3.728 291 3HD2 LEU 28 HD22 LEU 28 -3.140 4.887 4.887 292 H ASN 29 HN ASN 29 0.360 -0.077 -0.077 293 HA ASN 29 HA ASN 29 2.524 -0.696 -0.696 294 1HB ASN 29 HB2 ASN 29 2.633 1.841 1.841 295 2HB ASN 29 HB1 ASN 29 3.513 0.995 0.995 296 1HD2 ASN 29 HD22 ASN 29 6.047 1.873 1.873 297 2HD2 ASN 29 HD21 ASN 29 5.061 2.708 2.708 298 H GLU 30 HN GLU 30 4.459 -1.633 -1.633 299 HA GLU 30 HA GLU 30 3.527 -2.917 -2.917 300 1HB GLU 30 HB2 GLU 30 5.064 -4.329 -4.329 301 2HB GLU 30 HB1 GLU 30 4.452 -5.052 -5.052 302 1HG GLU 30 HG2 GLU 30 2.713 -5.634 -5.634 303 2HG GLU 30 HG1 GLU 30 2.149 -4.024 -4.024 304 H GLU 31 HN GLU 31 4.961 -0.794 -0.794 305 HA GLU 31 HA GLU 31 7.854 -1.488 -1.488 306 1HB GLU 31 HB2 GLU 31 6.366 1.096 1.096 307 2HB GLU 31 HB1 GLU 31 8.111 0.908 0.908 308 1HG GLU 31 HG2 GLU 31 7.812 -0.107 -0.107 309 2HG GLU 31 HG1 GLU 31 6.473 1.040 1.040 310 H CYS 32 HN CYS 32 8.851 -0.353 -0.353 311 HA CYS 32 HA CYS 32 9.083 -0.523 -0.523 312 1HB CYS 32 HB2 CYS 32 6.457 0.228 0.228 313 2HB CYS 32 HB1 CYS 32 6.279 -1.287 -1.287 314 HG CYS 32 HG CYS 32 8.344 0.572 0.572 315 H ASP 33 HN ASP 33 7.877 -2.262 -2.262 316 HA ASP 33 HA ASP 33 9.242 -4.590 -4.590 317 1HB ASP 33 HB2 ASP 33 7.414 -3.669 -3.669 318 2HB ASP 33 HB1 ASP 33 6.421 -4.850 -4.850 319 H GLN 34 HN GLN 34 8.696 -6.811 -6.811 320 HA GLN 34 HA GLN 34 7.369 -6.969 -6.969 321 1HB GLN 34 HB2 GLN 34 9.642 -8.140 -8.140 322 2HB GLN 34 HB1 GLN 34 8.477 -9.428 -9.428 323 1HG GLN 34 HG2 GLN 34 8.800 -9.974 -9.974 324 2HG GLN 34 HG1 GLN 34 7.753 -8.598 -8.598 325 1HE2 GLN 34 HE22 GLN 34 10.343 -7.014 -7.014 326 2HE2 GLN 34 HE21 GLN 34 8.692 -7.388 -7.388 327 H ASN 35 HN ASN 35 5.993 -6.758 -6.758 328 HA ASN 35 HA ASN 35 4.172 -9.043 -9.043 329 1HB ASN 35 HB2 ASN 35 5.187 -7.905 -7.905 330 2HB ASN 35 HB1 ASN 35 3.763 -8.950 -8.950 331 1HD2 ASN 35 HD22 ASN 35 5.717 -11.834 -11.834 332 2HD2 ASN 35 HD21 ASN 35 4.235 -11.074 -11.074 333 H TRP 36 HN TRP 36 4.420 -5.670 -5.670 334 HA TRP 36 HA TRP 36 1.442 -5.516 -5.516 335 1HB TRP 36 HB2 TRP 36 3.404 -3.245 -3.245 336 2HB TRP 36 HB1 TRP 36 1.669 -3.234 -3.234 337 HD1 TRP 36 HD1 TRP 36 4.495 -5.759 -5.759 338 HE1 TRP 36 HE1 TRP 36 4.370 -6.125 -6.125 339 HE3 TRP 36 HE3 TRP 36 0.600 -2.596 -2.596 340 HZ2 TRP 36 HZ2 TRP 36 2.925 -5.222 -5.222 341 HZ3 TRP 36 HZ3 TRP 36 -0.055 -2.368 -2.368 342 HH2 TRP 36 HH2 TRP 36 1.086 -3.680 -3.680 343 H TYR 37 HN TYR 37 0.276 -4.554 -4.554 344 HA TYR 37 HA TYR 37 1.726 -3.863 -3.863 345 1HB TYR 37 HB2 TYR 37 -1.219 -4.267 -4.267 346 2HB TYR 37 HB1 TYR 37 -0.550 -3.894 -3.894 347 HD1 TYR 37 HD2 TYR 37 1.860 -5.609 -5.609 348 HD2 TYR 37 HD1 TYR 37 -2.065 -6.402 -6.402 349 HE1 TYR 37 HE2 TYR 37 2.175 -8.033 -8.033 350 HE2 TYR 37 HE1 TYR 37 -1.768 -8.813 -8.813 351 HH TYR 37 HH TYR 37 1.307 -10.159 -10.159 352 H LYS 38 HN LYS 38 1.355 -1.892 -1.892 353 HA LYS 38 HA LYS 38 0.252 0.338 0.338 354 1HB LYS 38 HB2 LYS 38 2.478 0.649 0.649 355 2HB LYS 38 HB1 LYS 38 1.672 0.429 0.429 356 1HG LYS 38 HG2 LYS 38 0.080 2.320 2.320 357 2HG LYS 38 HG1 LYS 38 1.698 2.761 2.761 358 1HD LYS 38 HD2 LYS 38 1.918 2.145 2.145 359 2HD LYS 38 HD1 LYS 38 0.488 3.162 3.162 360 1HE LYS 38 HE2 LYS 38 1.989 4.649 4.649 361 2HE LYS 38 HE1 LYS 38 3.334 3.778 3.778 362 1HZ LYS 38 HZ3 LYS 38 1.218 5.016 5.016 363 2HZ LYS 38 HZ2 LYS 38 2.555 5.917 5.917 364 3HZ LYS 38 HZ1 LYS 38 2.784 4.558 4.558 365 H ALA 39 HN ALA 39 -1.820 1.059 1.059 366 HA ALA 39 HA ALA 39 -2.921 0.615 0.615 367 1HB ALA 39 HB3 ALA 39 -3.215 -1.535 -1.535 368 2HB ALA 39 HB2 ALA 39 -4.117 -0.715 -0.715 369 3HB ALA 39 HB1 ALA 39 -4.761 -0.763 -0.763 370 H GLU 40 HN GLU 40 -5.465 1.011 1.011 371 HA GLU 40 HA GLU 40 -5.825 3.374 3.374 372 1HB GLU 40 HB2 GLU 40 -5.419 4.852 4.852 373 2HB GLU 40 HB1 GLU 40 -4.791 3.518 3.518 374 1HG GLU 40 HG2 GLU 40 -6.985 3.228 3.228 375 2HG GLU 40 HG1 GLU 40 -7.698 4.446 4.446 376 H LEU 41 HN LEU 41 -7.762 3.706 3.706 377 HA LEU 41 HA LEU 41 -9.967 2.069 2.069 378 1HB LEU 41 HB2 LEU 41 -9.384 3.167 3.167 379 2HB LEU 41 HB1 LEU 41 -11.084 3.026 3.026 380 HG LEU 41 HG LEU 41 -9.222 0.762 0.762 381 1HD1 LEU 41 HD12 LEU 41 -10.035 1.792 1.792 382 2HD1 LEU 41 HD11 LEU 41 -10.448 0.094 0.094 383 3HD1 LEU 41 HD13 LEU 41 -8.774 0.629 0.629 384 1HD2 LEU 41 HD22 LEU 41 -11.570 0.938 0.938 385 2HD2 LEU 41 HD21 LEU 41 -11.276 -0.497 -0.497 386 3HD2 LEU 41 HD23 LEU 41 -12.141 0.884 0.884 387 H ASN 42 HN ASN 42 -10.680 3.091 3.091 388 HA ASN 42 HA ASN 42 -11.694 4.763 4.763 389 1HB ASN 42 HB2 ASN 42 -13.074 4.500 4.500 390 2HB ASN 42 HB1 ASN 42 -13.568 5.837 5.837 391 1HD2 ASN 42 HD22 ASN 42 -14.460 3.439 3.439 392 2HD2 ASN 42 HD21 ASN 42 -13.458 4.800 4.800 393 H GLY 43 HN GLY 43 -9.364 5.870 5.870 394 1HA GLY 43 HA2 GLY 43 -9.088 8.426 8.426 395 2HA GLY 43 HA1 GLY 43 -10.271 8.633 8.633 396 H LYS 44 HN LYS 44 -9.219 6.659 6.659 397 HA LYS 44 HA LYS 44 -6.955 8.121 8.121 398 1HB LYS 44 HB2 LYS 44 -8.828 6.044 6.044 399 2HB LYS 44 HB1 LYS 44 -7.215 6.182 6.182 400 1HG LYS 44 HG2 LYS 44 -8.738 7.617 7.617 401 2HG LYS 44 HG1 LYS 44 -7.578 8.600 8.600 402 1HD LYS 44 HD2 LYS 44 -9.826 9.541 9.541 403 2HD LYS 44 HD1 LYS 44 -9.268 8.898 8.898 404 1HE LYS 44 HE2 LYS 44 -10.587 6.897 6.897 405 2HE LYS 44 HE1 LYS 44 -10.999 7.334 7.334 406 1HZ LYS 44 HZ2 LYS 44 -11.976 9.430 9.430 407 2HZ LYS 44 HZ1 LYS 44 -11.912 8.579 8.579 408 3HZ LYS 44 HZ3 LYS 44 -12.842 7.979 7.979 409 H ASP 45 HN ASP 45 -5.220 6.650 6.650 410 HA ASP 45 HA ASP 45 -4.720 4.262 4.262 411 1HB ASP 45 HB2 ASP 45 -3.321 4.963 4.963 412 2HB ASP 45 HB1 ASP 45 -4.351 6.375 6.375 413 H GLY 46 HN GLY 46 -2.200 3.735 3.735 414 1HA GLY 46 HA2 GLY 46 -0.271 4.337 4.337 415 2HA GLY 46 HA1 GLY 46 -1.468 4.278 4.278 416 H PHE 47 HN PHE 47 0.699 2.698 2.698 417 HA PHE 47 HA PHE 47 0.503 0.089 0.089 418 1HB PHE 47 HB2 PHE 47 1.845 1.073 1.073 419 2HB PHE 47 HB1 PHE 47 2.050 -0.552 -0.552 420 HD1 PHE 47 HD2 PHE 47 2.785 -0.730 -0.730 421 HD2 PHE 47 HD1 PHE 47 3.210 2.816 2.816 422 HE1 PHE 47 HE2 PHE 47 4.502 0.121 0.121 423 HE2 PHE 47 HE1 PHE 47 4.927 3.669 3.669 424 HZ PHE 47 HZ PHE 47 5.572 2.322 2.322 425 H ILE 48 HN ILE 48 -0.002 -1.951 -1.951 426 HA ILE 48 HA ILE 48 -1.673 -1.719 -1.719 427 HB ILE 48 HB ILE 48 -3.529 -3.074 -3.074 428 1HG1 ILE 48 HG12 ILE 48 -2.184 -2.030 -2.030 429 2HG1 ILE 48 HG11 ILE 48 -2.172 -3.716 -3.716 430 1HG2 ILE 48 HG22 ILE 48 -3.340 -0.456 -0.456 431 2HG2 ILE 48 HG21 ILE 48 -3.327 -0.422 -0.422 432 3HG2 ILE 48 HG23 ILE 48 -4.692 -1.136 -1.136 433 1HD1 ILE 48 HD11 ILE 48 -4.799 -3.362 -3.362 434 2HD1 ILE 48 HD13 ILE 48 -4.442 -2.059 -2.059 435 3HD1 ILE 48 HD12 ILE 48 -3.996 -3.719 -3.719 436 HA PRO 49 HA PRO 49 0.510 -5.525 -5.525 437 1HB PRO 49 HB2 PRO 49 -0.940 -6.665 -6.665 438 2HB PRO 49 HB1 PRO 49 0.311 -5.426 -5.426 439 1HG PRO 49 HG2 PRO 49 -2.676 -5.136 -5.136 440 2HG PRO 49 HG1 PRO 49 -1.431 -4.190 -4.190 441 1HD PRO 49 HD2 PRO 49 -2.774 -3.333 -3.333 442 2HD PRO 49 HD1 PRO 49 -1.273 -2.665 -2.665 443 H LYS 50 HN LYS 50 0.300 -6.954 -6.954 444 HA LYS 50 HA LYS 50 -1.981 -7.878 -7.878 445 1HB LYS 50 HB2 LYS 50 0.346 -8.085 -8.085 446 2HB LYS 50 HB1 LYS 50 0.634 -9.294 -9.294 447 1HG LYS 50 HG2 LYS 50 -1.164 -10.693 -10.693 448 2HG LYS 50 HG1 LYS 50 -1.221 -9.519 -9.519 449 1HD LYS 50 HD2 LYS 50 0.919 -10.043 -10.043 450 2HD LYS 50 HD1 LYS 50 1.445 -10.598 -10.598 451 1HE LYS 50 HE2 LYS 50 0.118 -12.630 -12.630 452 2HE LYS 50 HE1 LYS 50 -0.569 -12.058 -12.058 453 1HZ LYS 50 HZ1 LYS 50 1.745 -11.984 -11.984 454 2HZ LYS 50 HZ3 LYS 50 2.260 -12.761 -12.761 455 3HZ LYS 50 HZ2 LYS 50 1.185 -13.547 -13.547 456 H ASN 51 HN ASN 51 -0.910 -8.890 -8.890 457 HA ASN 51 HA ASN 51 -1.893 -11.470 -11.470 458 1HB ASN 51 HB2 ASN 51 -1.224 -9.426 -9.426 459 2HB ASN 51 HB1 ASN 51 -2.188 -10.744 -10.744 460 1HD2 ASN 51 HD22 ASN 51 0.658 -12.770 -12.770 461 2HD2 ASN 51 HD21 ASN 51 -0.863 -12.307 -12.307 462 H TYR 52 HN TYR 52 -3.433 -8.414 -8.414 463 HA TYR 52 HA TYR 52 -6.070 -9.634 -9.634 464 1HB TYR 52 HB2 TYR 52 -5.002 -6.813 -6.813 465 2HB TYR 52 HB1 TYR 52 -6.719 -7.139 -7.139 466 HD1 TYR 52 HD2 TYR 52 -3.642 -8.528 -8.528 467 HD2 TYR 52 HD1 TYR 52 -7.574 -6.927 -6.927 468 HE1 TYR 52 HE2 TYR 52 -3.500 -8.726 -8.726 469 HE2 TYR 52 HE1 TYR 52 -7.431 -7.080 -7.080 470 HH TYR 52 HH TYR 52 -5.220 -7.153 -7.153 471 H ILE 53 HN ILE 53 -4.655 -9.915 -9.915 472 HA ILE 53 HA ILE 53 -6.718 -8.893 -8.893 473 HB ILE 53 HB ILE 53 -4.164 -8.223 -8.223 474 1HG1 ILE 53 HG12 ILE 53 -5.121 -6.577 -6.577 475 2HG1 ILE 53 HG11 ILE 53 -3.677 -7.584 -7.584 476 1HG2 ILE 53 HG23 ILE 53 -6.620 -7.625 -7.625 477 2HG2 ILE 53 HG22 ILE 53 -6.383 -6.288 -6.288 478 3HG2 ILE 53 HG21 ILE 53 -5.317 -6.484 -6.484 479 1HD1 ILE 53 HD11 ILE 53 -3.695 -5.852 -5.852 480 2HD1 ILE 53 HD13 ILE 53 -3.892 -4.911 -4.911 481 3HD1 ILE 53 HD12 ILE 53 -2.499 -5.969 -5.969 482 H GLU 54 HN GLU 54 -6.160 -9.430 -9.430 483 HA GLU 54 HA GLU 54 -4.451 -11.659 -11.659 484 1HB GLU 54 HB2 GLU 54 -7.264 -12.022 -12.022 485 2HB GLU 54 HB1 GLU 54 -6.827 -12.457 -12.457 486 1HG GLU 54 HG2 GLU 54 -4.812 -13.673 -13.673 487 2HG GLU 54 HG1 GLU 54 -6.029 -13.732 -13.732 488 H MET 55 HN MET 55 -4.294 -12.047 -12.047 489 HA MET 55 HA MET 55 -4.588 -9.434 -9.434 490 1HB MET 55 HB2 MET 55 -2.436 -10.926 -10.926 491 2HB MET 55 HB1 MET 55 -3.184 -11.775 -11.775 492 1HG MET 55 HG2 MET 55 -3.273 -9.773 -9.773 493 2HG MET 55 HG1 MET 55 -2.830 -8.772 -8.772 494 1HE MET 55 HE3 MET 55 -1.143 -7.679 -7.679 495 2HE MET 55 HE2 MET 55 0.221 -8.487 -8.487 496 3HE MET 55 HE1 MET 55 -1.417 -8.820 -8.820 497 H LYS 56 HN LYS 56 -6.465 -9.157 -9.157 498 HA LYS 56 HA LYS 56 -7.544 -11.387 -11.387 499 1HB LYS 56 HB2 LYS 56 -8.693 -9.000 -9.000 500 2HB LYS 56 HB1 LYS 56 -9.432 -9.592 -9.592 501 1HG LYS 56 HG2 LYS 56 -9.791 -11.761 -11.761 502 2HG LYS 56 HG1 LYS 56 -8.798 -11.352 -11.352 503 1HD LYS 56 HD2 LYS 56 -11.178 -11.183 -11.183 504 2HD LYS 56 HD1 LYS 56 -10.432 -9.586 -9.586 505 1HE LYS 56 HE2 LYS 56 -12.584 -9.468 -9.468 506 2HE LYS 56 HE1 LYS 56 -11.263 -9.180 -9.180 507 1HZ LYS 56 HZ2 LYS 56 -12.278 -11.916 -11.916 508 2HZ LYS 56 HZ1 LYS 56 -13.141 -10.842 -10.842 509 3HZ LYS 56 HZ3 LYS 56 -11.532 -11.229 -11.229 510 HA PRO 57 HA PRO 57 -6.529 -9.417 -9.417 511 1HB PRO 57 HB2 PRO 57 -8.413 -10.415 -10.415 512 2HB PRO 57 HB1 PRO 57 -7.002 -11.326 -11.326 513 1HG PRO 57 HG2 PRO 57 -9.825 -11.548 -11.548 514 2HG PRO 57 HG1 PRO 57 -8.544 -12.747 -12.747 515 1HD PRO 57 HD2 PRO 57 -9.509 -11.234 -11.234 516 2HD PRO 57 HD1 PRO 57 -8.037 -12.229 -12.229 517 H HIS 58 HN HIS 58 -8.126 -8.497 -8.497 518 HA HIS 58 HA HIS 58 -9.992 -6.562 -6.562 519 1HB HIS 58 HB2 HIS 58 -9.247 -4.887 -4.887 520 2HB HIS 58 HB1 HIS 58 -7.964 -5.352 -5.352 521 HD1 HIS 58 HD1 HIS 58 -8.894 -5.384 -5.384 522 HD2 HIS 58 HD2 HIS 58 -6.047 -7.235 -7.235 523 HE1 HIS 58 HE1 HIS 58 -7.158 -6.367 -6.367 524 HA PRO 59 HA PRO 59 -12.836 -7.876 -7.876 525 1HB PRO 59 HB2 PRO 59 -14.436 -5.651 -5.651 526 2HB PRO 59 HB1 PRO 59 -14.503 -6.770 -6.770 527 1HG PRO 59 HG2 PRO 59 -13.338 -4.024 -4.024 528 2HG PRO 59 HG1 PRO 59 -13.973 -4.910 -4.910 529 1HD PRO 59 HD2 PRO 59 -11.229 -4.569 -4.569 530 2HD PRO 59 HD1 PRO 59 -11.889 -5.695 -5.695 531 H GLU 60 HN GLU 60 -13.852 -7.031 -7.031 532 HA GLU 60 HA GLU 60 -11.902 -5.282 -5.282 533 1HB GLU 60 HB2 GLU 60 -11.862 -7.986 -7.986 534 2HB GLU 60 HB1 GLU 60 -13.046 -7.550 -7.550 535 1HG GLU 60 HG2 GLU 60 -11.158 -7.253 -7.253 536 2HG GLU 60 HG1 GLU 60 -11.185 -5.664 -5.664 537 H PHE 61 HN PHE 61 -12.845 -4.554 -4.554 538 HA PHE 61 HA PHE 61 -14.553 -3.452 -3.452 539 1HB PHE 61 HB2 PHE 61 -15.583 -6.042 -6.042 540 2HB PHE 61 HB1 PHE 61 -16.890 -4.862 -4.862 541 HD1 PHE 61 HD2 PHE 61 -17.540 -3.555 -3.555 542 HD2 PHE 61 HD1 PHE 61 -14.539 -6.620 -6.620 543 HE1 PHE 61 HE2 PHE 61 -17.726 -3.576 -3.576 544 HE2 PHE 61 HE1 PHE 61 -14.723 -6.642 -6.642 545 HZ PHE 61 HZ PHE 61 -16.316 -5.120 -5.120 546 H ILE 62 HN ILE 62 -16.931 -2.490 -2.490 547 HA ILE 62 HA ILE 62 -17.129 -1.632 -1.632 548 HB ILE 62 HB ILE 62 -15.772 0.084 0.084 549 1HG1 ILE 62 HG12 ILE 62 -17.963 1.858 1.858 550 2HG1 ILE 62 HG11 ILE 62 -18.339 0.549 0.549 551 1HG2 ILE 62 HG22 ILE 62 -17.181 -0.501 -0.501 552 2HG2 ILE 62 HG21 ILE 62 -18.084 0.916 0.916 553 3HG2 ILE 62 HG23 ILE 62 -16.354 1.042 1.042 554 1HD1 ILE 62 HD13 ILE 62 -15.876 0.827 0.827 555 2HD1 ILE 62 HD12 ILE 62 -15.961 2.396 2.396 556 3HD1 ILE 62 HD11 ILE 62 -17.065 2.020 2.020 557 H VAL 63 HN VAL 63 -18.772 -3.484 -3.484 558 HA VAL 63 HA VAL 63 -21.377 -2.386 -2.386 559 HB VAL 63 HB VAL 63 -20.949 -1.265 -1.265 560 1HG1 VAL 63 HG12 VAL 63 -20.560 -4.092 -4.092 561 2HG1 VAL 63 HG11 VAL 63 -20.673 -2.654 -2.654 562 3HG1 VAL 63 HG13 VAL 63 -19.323 -2.840 -2.840 563 1HG2 VAL 63 HG23 VAL 63 -22.926 -3.565 -3.565 564 2HG2 VAL 63 HG22 VAL 63 -23.251 -1.955 -1.955 565 3HG2 VAL 63 HG21 VAL 63 -22.918 -2.169 -2.169 566 H THR 64 HN THR 64 -22.819 -4.078 -4.078 567 HA THR 64 HA THR 64 -21.768 -6.813 -6.813 568 HB THR 64 HB THR 64 -24.019 -6.117 -6.117 569 HG1 THR 64 HG1 THR 64 -21.252 -6.373 -6.373 570 1HG2 THR 64 HG23 THR 64 -23.374 -8.515 -8.515 571 2HG2 THR 64 HG22 THR 64 -22.104 -8.397 -8.397 572 3HG2 THR 64 HG21 THR 64 -23.797 -8.289 -8.289 573 H ASP 65 HN ASP 65 -24.515 -4.656 -4.656 574 HA ASP 65 HA ASP 65 -26.220 -6.704 -6.704 575 1HB ASP 65 HB2 ASP 65 -26.367 -3.708 -3.708 576 2HB ASP 65 HB1 ASP 65 -27.499 -4.564 -4.564 577 1H SER 1 HT2 SER 1 -9.539 -20.777 -20.777 578 2H SER 1 HT1 SER 1 -8.488 -22.108 -22.108 579 3H SER 1 HT3 SER 1 -10.053 -22.228 -22.228 580 HA SER 1 HA SER 1 -9.548 -21.196 -21.196 581 1HB SER 1 HB2 SER 1 -6.638 -21.497 -21.497 582 2HB SER 1 HB1 SER 1 -7.634 -22.115 -22.115 583 HG SER 1 HG SER 1 -8.499 -23.599 -23.599 584 HA PRO 2 HA PRO 2 -6.720 -17.485 -17.485 585 1HB PRO 2 HB2 PRO 2 -5.713 -17.179 -17.179 586 2HB PRO 2 HB1 PRO 2 -4.863 -18.046 -18.046 587 1HG PRO 2 HG2 PRO 2 -6.275 -19.153 -19.153 588 2HG PRO 2 HG1 PRO 2 -4.961 -19.862 -19.862 589 1HD PRO 2 HD2 PRO 2 -7.715 -20.538 -20.538 590 2HD PRO 2 HD1 PRO 2 -6.436 -21.040 -21.040 591 H LEU 3 HN LEU 3 -7.471 -15.401 -15.401 592 HA LEU 3 HA LEU 3 -9.896 -15.459 -15.459 593 1HB LEU 3 HB2 LEU 3 -10.258 -14.591 -14.591 594 2HB LEU 3 HB1 LEU 3 -8.980 -13.403 -13.403 595 HG LEU 3 HG LEU 3 -10.724 -13.073 -13.073 596 1HD1 LEU 3 HD13 LEU 3 -12.279 -14.414 -14.414 597 2HD1 LEU 3 HD12 LEU 3 -12.388 -12.867 -12.867 598 3HD1 LEU 3 HD11 LEU 3 -12.907 -12.997 -12.997 599 1HD2 LEU 3 HD23 LEU 3 -10.361 -11.503 -11.503 600 2HD2 LEU 3 HD22 LEU 3 -9.516 -11.249 -11.249 601 3HD2 LEU 3 HD21 LEU 3 -11.240 -10.894 -10.894 602 H LEU 4 HN LEU 4 -7.679 -12.755 -12.755 603 HA LEU 4 HA LEU 4 -6.748 -12.677 -12.677 604 1HB LEU 4 HB2 LEU 4 -8.754 -10.798 -10.798 605 2HB LEU 4 HB1 LEU 4 -7.456 -10.080 -10.080 606 HG LEU 4 HG LEU 4 -9.191 -12.387 -12.387 607 1HD1 LEU 4 HD12 LEU 4 -9.374 -9.406 -9.406 608 2HD1 LEU 4 HD11 LEU 4 -9.973 -10.501 -10.501 609 3HD1 LEU 4 HD13 LEU 4 -10.658 -10.553 -10.553 610 1HD2 LEU 4 HD23 LEU 4 -6.977 -10.746 -10.746 611 2HD2 LEU 4 HD22 LEU 4 -7.140 -12.500 -12.500 612 3HD2 LEU 4 HD21 LEU 4 -8.176 -11.557 -11.557 613 HA PRO 5 HA PRO 5 -3.461 -11.198 -11.198 614 1HB PRO 5 HB2 PRO 5 -1.382 -11.718 -11.718 615 2HB PRO 5 HB1 PRO 5 -2.107 -12.940 -12.940 616 1HG PRO 5 HG2 PRO 5 -2.411 -12.591 -12.591 617 2HG PRO 5 HG1 PRO 5 -2.572 -14.060 -14.060 618 1HD PRO 5 HD2 PRO 5 -4.710 -12.506 -12.506 619 2HD PRO 5 HD1 PRO 5 -4.837 -13.776 -13.776 620 H LYS 6 HN LYS 6 -2.227 -9.242 -9.242 621 HA LYS 6 HA LYS 6 -2.837 -7.409 -7.409 622 1HB LYS 6 HB2 LYS 6 -2.568 -7.109 -7.109 623 2HB LYS 6 HB1 LYS 6 -1.724 -5.856 -5.856 624 1HG LYS 6 HG2 LYS 6 -4.475 -6.557 -6.557 625 2HG LYS 6 HG1 LYS 6 -4.330 -5.657 -5.657 626 1HD LYS 6 HD2 LYS 6 -2.601 -4.236 -4.236 627 2HD LYS 6 HD1 LYS 6 -3.649 -4.819 -4.819 628 1HE LYS 6 HE2 LYS 6 -5.598 -4.045 -4.045 629 2HE LYS 6 HE1 LYS 6 -4.357 -3.093 -3.093 630 1HZ LYS 6 HZ1 LYS 6 -3.760 -2.252 -2.252 631 2HZ LYS 6 HZ3 LYS 6 -5.215 -2.932 -2.932 632 3HZ LYS 6 HZ2 LYS 6 -5.239 -1.707 -1.707 633 H LEU 7 HN LEU 7 -0.911 -9.031 -9.031 634 HA LEU 7 HA LEU 7 1.294 -9.114 -9.114 635 1HB LEU 7 HB2 LEU 7 1.236 -6.156 -6.156 636 2HB LEU 7 HB1 LEU 7 2.408 -6.930 -6.930 637 HG LEU 7 HG LEU 7 0.789 -5.901 -5.901 638 1HD1 LEU 7 HD11 LEU 7 0.107 -8.848 -8.848 639 2HD1 LEU 7 HD13 LEU 7 -0.324 -7.837 -7.837 640 3HD1 LEU 7 HD12 LEU 7 1.375 -8.150 -8.150 641 1HD2 LEU 7 HD23 LEU 7 -0.942 -5.868 -5.868 642 2HD2 LEU 7 HD22 LEU 7 -1.520 -5.861 -5.861 643 3HD2 LEU 7 HD21 LEU 7 -1.520 -7.361 -7.361 644 HA PRO 8 HA PRO 8 2.906 -9.066 -9.066 645 1HB PRO 8 HB2 PRO 8 2.841 -11.772 -11.772 646 2HB PRO 8 HB1 PRO 8 1.499 -10.682 -10.682 647 1HG PRO 8 HG2 PRO 8 1.731 -12.644 -12.644 648 2HG PRO 8 HG1 PRO 8 0.276 -12.012 -12.012 649 1HD PRO 8 HD2 PRO 8 1.309 -11.169 -11.169 650 2HD PRO 8 HD1 PRO 8 0.047 -10.359 -10.359 651 HA PRO 9 HA PRO 9 6.699 -10.329 -10.329 652 1HB PRO 9 HB2 PRO 9 8.433 -8.782 -8.782 653 2HB PRO 9 HB1 PRO 9 7.492 -8.165 -8.165 654 1HG PRO 9 HG2 PRO 9 7.076 -7.701 -7.701 655 2HG PRO 9 HG1 PRO 9 6.596 -6.693 -6.693 656 1HD PRO 9 HD2 PRO 9 4.894 -8.424 -8.424 657 2HD PRO 9 HD1 PRO 9 4.505 -7.635 -7.635 658 H LYS 10 HN LYS 10 8.724 -11.465 -11.465 659 HA LYS 10 HA LYS 10 8.770 -12.322 -12.322 660 1HB LYS 10 HB2 LYS 10 8.254 -14.215 -14.215 661 2HB LYS 10 HB1 LYS 10 8.830 -14.766 -14.766 662 1HG LYS 10 HG2 LYS 10 6.860 -13.691 -13.691 663 2HG LYS 10 HG1 LYS 10 6.267 -13.231 -13.231 664 1HD LYS 10 HD2 LYS 10 5.440 -15.301 -15.301 665 2HD LYS 10 HD1 LYS 10 6.937 -16.077 -16.077 666 1HE LYS 10 HE2 LYS 10 4.975 -16.687 -16.687 667 2HE LYS 10 HE1 LYS 10 6.275 -15.913 -15.913 668 1HZ LYS 10 HZ2 LYS 10 4.022 -14.367 -14.367 669 2HZ LYS 10 HZ1 LYS 10 3.934 -15.080 -15.080 670 3HZ LYS 10 HZ3 LYS 10 5.112 -13.905 -13.905 671 H THR 11 HN THR 11 10.501 -14.635 -14.635 672 HA THR 11 HA THR 11 12.793 -13.219 -13.219 673 HB THR 11 HB THR 11 14.090 -14.235 -14.235 674 HG1 THR 11 HG1 THR 11 12.900 -13.832 -13.832 675 1HG2 THR 11 HG23 THR 11 13.371 -11.600 -11.600 676 2HG2 THR 11 HG22 THR 11 13.696 -11.586 -11.586 677 3HG2 THR 11 HG21 THR 11 14.919 -12.183 -12.183 678 H TYR 12 HN TYR 12 14.799 -14.817 -14.817 679 HA TYR 12 HA TYR 12 15.652 -16.891 -16.891 680 1HB TYR 12 HB2 TYR 12 14.095 -17.377 -17.377 681 2HB TYR 12 HB1 TYR 12 13.544 -18.584 -18.584 682 HD1 TYR 12 HD1 TYR 12 16.652 -17.118 -17.118 683 HD2 TYR 12 HD2 TYR 12 14.828 -20.518 -20.518 684 HE1 TYR 12 HE1 TYR 12 18.705 -18.448 -18.448 685 HE2 TYR 12 HE2 TYR 12 16.881 -21.847 -21.847 686 HH TYR 12 HH TYR 12 18.973 -21.409 -21.409 687 H LYS 13 HN LYS 13 14.308 -19.262 -19.262 688 HA LYS 13 HA LYS 13 13.319 -18.512 -18.512 689 1HB LYS 13 HB2 LYS 13 14.490 -20.726 -20.726 690 2HB LYS 13 HB1 LYS 13 12.838 -21.229 -21.229 691 1HG LYS 13 HG2 LYS 13 12.325 -21.503 -21.503 692 2HG LYS 13 HG1 LYS 13 13.097 -19.984 -19.984 693 1HD LYS 13 HD2 LYS 13 15.172 -20.976 -20.976 694 2HD LYS 13 HD1 LYS 13 14.835 -22.297 -22.297 695 1HE LYS 13 HE2 LYS 13 14.056 -23.597 -23.597 696 2HE LYS 13 HE1 LYS 13 12.956 -22.333 -22.333 697 1HZ LYS 13 HZ2 LYS 13 14.868 -21.279 -21.279 698 2HZ LYS 13 HZ1 LYS 13 15.827 -22.614 -22.614 699 3HZ LYS 13 HZ3 LYS 13 14.506 -22.820 -22.820 700 H ARG 14 HN ARG 14 11.253 -18.031 -18.031 701 HA ARG 14 HA ARG 14 9.155 -17.808 -17.808 702 1HB ARG 14 HB2 ARG 14 8.966 -17.893 -17.893 703 2HB ARG 14 HB1 ARG 14 7.701 -17.326 -17.326 704 1HG ARG 14 HG2 ARG 14 10.453 -16.124 -16.124 705 2HG ARG 14 HG1 ARG 14 9.321 -15.577 -15.577 706 1HD ARG 14 HD2 ARG 14 7.631 -15.343 -15.343 707 2HD ARG 14 HD1 ARG 14 9.058 -15.402 -15.402 708 HE ARG 14 HE ARG 14 8.247 -13.147 -13.147 709 1HH1 ARG 14 HH11 ARG 14 10.897 -13.975 -13.975 710 2HH1 ARG 14 HH12 ARG 14 12.012 -13.066 -13.066 711 1HH2 ARG 14 HH21 ARG 14 9.704 -12.380 -12.380 712 2HH2 ARG 14 HH22 ARG 14 11.337 -12.163 -12.163 713 H GLU 15 HN GLU 15 9.708 -20.172 -20.172 714 HA GLU 15 HA GLU 15 8.061 -22.121 -22.121 715 1HB GLU 15 HB2 GLU 15 6.798 -20.947 -20.947 716 2HB GLU 15 HB1 GLU 15 7.818 -21.934 -21.934 717 1HG GLU 15 HG2 GLU 15 6.843 -23.918 -23.918 718 2HG GLU 15 HG1 GLU 15 6.418 -23.283 -23.283 Start of MODEL 12 1 1H GLY -8 HT1 GLY -8 12.221 -5.916 -5.916 2 2H GLY -8 HT3 GLY -8 12.599 -7.569 -7.569 3 3H GLY -8 HT2 GLY -8 13.001 -6.543 -6.543 4 1HA GLY -8 HA1 GLY -8 10.833 -6.570 -6.570 5 2HA GLY -8 HA2 GLY -8 10.864 -8.225 -8.225 6 H SER -7 HN SER -7 10.791 -4.627 -4.627 7 HA SER -7 HA SER -7 7.901 -4.865 -4.865 8 1HB SER -7 HB2 SER -7 9.712 -2.599 -2.599 9 2HB SER -7 HB1 SER -7 8.227 -3.148 -3.148 10 HG SER -7 HG SER -7 10.815 -4.230 -4.230 11 H ARG -6 HN ARG -6 6.419 -3.361 -3.361 12 HA ARG -6 HA ARG -6 7.471 -1.679 -1.679 13 1HB ARG -6 HB2 ARG -6 5.169 -1.893 -1.893 14 2HB ARG -6 HB1 ARG -6 6.001 -3.442 -3.442 15 1HG ARG -6 HG2 ARG -6 4.398 -2.596 -2.596 16 2HG ARG -6 HG1 ARG -6 3.484 -3.032 -3.032 17 1HD ARG -6 HD2 ARG -6 5.713 -4.829 -4.829 18 2HD ARG -6 HD1 ARG -6 4.187 -4.888 -4.888 19 HE ARG -6 HE ARG -6 3.518 -5.034 -5.034 20 1HH1 ARG -6 HH11 ARG -6 3.902 -6.991 -6.991 21 2HH1 ARG -6 HH12 ARG -6 4.289 -8.435 -8.435 22 1HH2 ARG -6 HH21 ARG -6 4.647 -6.813 -6.813 23 2HH2 ARG -6 HH22 ARG -6 4.711 -8.334 -8.334 24 H ARG -5 HN ARG -5 6.152 0.331 0.331 25 HA ARG -5 HA ARG -5 4.925 1.395 1.395 26 1HB ARG -5 HB2 ARG -5 7.396 2.155 2.155 27 2HB ARG -5 HB1 ARG -5 6.432 3.289 3.289 28 1HG ARG -5 HG2 ARG -5 5.195 3.883 3.883 29 2HG ARG -5 HG1 ARG -5 6.359 2.898 2.898 30 1HD ARG -5 HD2 ARG -5 8.020 4.465 4.465 31 2HD ARG -5 HD1 ARG -5 6.687 5.574 5.574 32 HE ARG -5 HE ARG -5 7.617 4.163 4.163 33 1HH1 ARG -5 HH21 ARG -5 6.741 6.605 6.605 34 2HH1 ARG -5 HH22 ARG -5 8.076 7.704 7.704 35 1HH2 ARG -5 HH11 ARG -5 9.918 5.677 5.677 36 2HH2 ARG -5 HH12 ARG -5 9.875 7.178 7.178 37 H ALA -4 HN ALA -4 3.723 0.313 0.313 38 HA ALA -4 HA ALA -4 2.431 2.799 2.799 39 1HB ALA -4 HB3 ALA -4 3.573 1.440 1.440 40 2HB ALA -4 HB2 ALA -4 2.608 0.040 0.040 41 3HB ALA -4 HB1 ALA -4 1.829 1.448 1.448 42 H SER -3 HN SER -3 1.718 -0.617 -0.617 43 HA SER -3 HA SER -3 -1.141 -0.241 -0.241 44 1HB SER -3 HB2 SER -3 0.490 -2.350 -2.350 45 2HB SER -3 HB1 SER -3 -1.221 -2.442 -2.442 46 HG SER -3 HG SER -3 0.865 -3.139 -3.139 47 H VAL -2 HN VAL -2 -2.437 0.483 0.483 48 HA VAL -2 HA VAL -2 -1.125 1.029 1.029 49 HB VAL -2 HB VAL -2 -3.386 2.607 2.607 50 1HG1 VAL -2 HG12 VAL -2 -3.156 2.547 2.547 51 2HG1 VAL -2 HG11 VAL -2 -1.578 3.309 3.309 52 3HG1 VAL -2 HG13 VAL -2 -3.037 4.152 4.152 53 1HG2 VAL -2 HG22 VAL -2 -0.398 2.911 2.911 54 2HG2 VAL -2 HG21 VAL -2 -1.580 3.194 3.194 55 3HG2 VAL -2 HG23 VAL -2 -1.406 4.357 4.357 56 H GLY -1 HN GLY -1 -2.340 0.526 0.526 57 1HA GLY -1 HA2 GLY -1 -4.945 0.058 0.058 58 2HA GLY -1 HA1 GLY -1 -4.554 -1.378 -1.378 59 H SER 0 HN SER 0 -4.136 0.221 0.221 60 HA SER 0 HA SER 0 -2.086 -1.460 -1.460 61 1HB SER 0 HB2 SER 0 -3.296 -0.763 -0.763 62 2HB SER 0 HB1 SER 0 -2.489 0.474 0.474 63 HG SER 0 HG SER 0 -4.555 1.173 1.173 64 H MET 1 HN MET 1 -2.734 -2.859 -2.859 65 HA MET 1 HA MET 1 -4.851 -4.749 -4.749 66 1HB MET 1 HB2 MET 1 -2.224 -5.118 -5.118 67 2HB MET 1 HB1 MET 1 -3.527 -6.243 -6.243 68 1HG MET 1 HG2 MET 1 -3.460 -7.248 -7.248 69 2HG MET 1 HG1 MET 1 -3.288 -5.725 -5.725 70 1HE MET 1 HE2 MET 1 -2.037 -8.580 -8.580 71 2HE MET 1 HE1 MET 1 -0.375 -8.836 -8.836 72 3HE MET 1 HE3 MET 1 -0.712 -7.866 -7.866 73 H GLU 2 HN GLU 2 -5.457 -6.145 -6.145 74 HA GLU 2 HA GLU 2 -6.277 -4.057 -4.057 75 1HB GLU 2 HB2 GLU 2 -7.919 -5.529 -5.529 76 2HB GLU 2 HB1 GLU 2 -8.049 -6.364 -6.364 77 1HG GLU 2 HG2 GLU 2 -8.765 -4.364 -4.364 78 2HG GLU 2 HG1 GLU 2 -8.364 -3.370 -3.370 79 H ALA 3 HN ALA 3 -7.086 -5.313 -5.313 80 HA ALA 3 HA ALA 3 -5.723 -7.807 -7.807 81 1HB ALA 3 HB2 ALA 3 -4.499 -5.298 -5.298 82 2HB ALA 3 HB1 ALA 3 -4.845 -6.142 -6.142 83 3HB ALA 3 HB3 ALA 3 -3.881 -6.928 -6.928 84 H ILE 4 HN ILE 4 -7.233 -8.846 -8.846 85 HA ILE 4 HA ILE 4 -9.514 -7.678 -7.678 86 HB ILE 4 HB ILE 4 -9.622 -9.824 -9.824 87 1HG1 ILE 4 HG12 ILE 4 -9.926 -10.765 -10.765 88 2HG1 ILE 4 HG11 ILE 4 -10.677 -9.195 -9.195 89 1HG2 ILE 4 HG23 ILE 4 -7.136 -10.248 -10.248 90 2HG2 ILE 4 HG22 ILE 4 -8.202 -11.349 -11.349 91 3HG2 ILE 4 HG21 ILE 4 -8.090 -11.434 -11.434 92 1HD1 ILE 4 HD11 ILE 4 -11.058 -11.491 -11.491 93 2HD1 ILE 4 HD13 ILE 4 -12.079 -11.278 -11.278 94 3HD1 ILE 4 HD12 ILE 4 -12.028 -10.030 -10.030 95 H ALA 5 HN ALA 5 -9.638 -6.719 -6.719 96 HA ALA 5 HA ALA 5 -7.678 -7.053 -7.053 97 1HB ALA 5 HB1 ALA 5 -10.333 -5.625 -5.625 98 2HB ALA 5 HB3 ALA 5 -9.560 -5.828 -5.828 99 3HB ALA 5 HB2 ALA 5 -8.736 -4.933 -4.933 100 H LYS 6 HN LYS 6 -7.685 -9.027 -9.027 101 HA LYS 6 HA LYS 6 -9.923 -10.817 -10.817 102 1HB LYS 6 HB2 LYS 6 -7.486 -10.832 -10.832 103 2HB LYS 6 HB1 LYS 6 -8.569 -12.191 -12.191 104 1HG LYS 6 HG2 LYS 6 -7.831 -12.468 -12.468 105 2HG LYS 6 HG1 LYS 6 -7.265 -10.801 -10.801 106 1HD LYS 6 HD2 LYS 6 -5.349 -12.286 -12.286 107 2HD LYS 6 HD1 LYS 6 -5.461 -11.326 -11.326 108 1HE LYS 6 HE2 LYS 6 -6.056 -13.143 -13.143 109 2HE LYS 6 HE1 LYS 6 -6.891 -13.947 -13.947 110 1HZ LYS 6 HZ1 LYS 6 -3.946 -13.686 -13.686 111 2HZ LYS 6 HZ3 LYS 6 -4.845 -15.093 -15.093 112 3HZ LYS 6 HZ2 LYS 6 -4.753 -14.464 -14.464 113 H TYR 7 HN TYR 7 -8.873 -8.311 -8.311 114 HA TYR 7 HA TYR 7 -11.297 -8.860 -8.860 115 1HB TYR 7 HB2 TYR 7 -8.692 -8.331 -8.331 116 2HB TYR 7 HB1 TYR 7 -10.165 -9.043 -9.043 117 HD1 TYR 7 HD2 TYR 7 -10.884 -11.333 -11.333 118 HD2 TYR 7 HD1 TYR 7 -6.928 -9.694 -9.694 119 HE1 TYR 7 HE2 TYR 7 -9.972 -13.593 -13.593 120 HE2 TYR 7 HE1 TYR 7 -6.008 -11.940 -11.940 121 HH TYR 7 HH TYR 7 -7.664 -14.404 -14.404 122 H ASP 8 HN ASP 8 -11.154 -7.165 -7.165 123 HA ASP 8 HA ASP 8 -11.384 -4.571 -4.571 124 1HB ASP 8 HB2 ASP 8 -12.211 -5.888 -5.888 125 2HB ASP 8 HB1 ASP 8 -11.566 -4.277 -4.277 126 H PHE 9 HN PHE 9 -10.311 -2.654 -2.654 127 HA PHE 9 HA PHE 9 -8.065 -2.732 -2.732 128 1HB PHE 9 HB2 PHE 9 -7.360 -3.998 -3.998 129 2HB PHE 9 HB1 PHE 9 -6.908 -2.340 -2.340 130 HD1 PHE 9 HD2 PHE 9 -6.878 -4.236 -4.236 131 HD2 PHE 9 HD1 PHE 9 -4.588 -2.160 -2.160 132 HE1 PHE 9 HE2 PHE 9 -4.836 -4.466 -4.466 133 HE2 PHE 9 HE1 PHE 9 -2.550 -2.386 -2.386 134 HZ PHE 9 HZ PHE 9 -2.678 -3.537 -3.537 135 H LYS 10 HN LYS 10 -6.573 -0.719 -0.719 136 HA LYS 10 HA LYS 10 -8.022 1.470 1.470 137 1HB LYS 10 HB2 LYS 10 -7.883 1.125 1.125 138 2HB LYS 10 HB1 LYS 10 -7.317 2.701 2.701 139 1HG LYS 10 HG2 LYS 10 -9.489 3.314 3.314 140 2HG LYS 10 HG1 LYS 10 -9.620 2.288 2.288 141 1HD LYS 10 HD2 LYS 10 -11.349 1.605 1.605 142 2HD LYS 10 HD1 LYS 10 -10.111 0.349 0.349 143 1HE LYS 10 HE2 LYS 10 -9.088 1.489 1.489 144 2HE LYS 10 HE1 LYS 10 -10.508 2.535 2.535 145 1HZ LYS 10 HZ3 LYS 10 -11.851 0.424 0.424 146 2HZ LYS 10 HZ2 LYS 10 -10.399 -0.404 -0.404 147 3HZ LYS 10 HZ1 LYS 10 -10.967 0.761 0.761 148 H ALA 11 HN ALA 11 -6.742 3.392 3.392 149 HA ALA 11 HA ALA 11 -4.020 2.720 2.720 150 1HB ALA 11 HB1 ALA 11 -5.403 4.430 4.430 151 2HB ALA 11 HB3 ALA 11 -5.192 5.493 5.493 152 3HB ALA 11 HB2 ALA 11 -3.785 4.969 4.969 153 H THR 12 HN THR 12 -2.250 2.979 2.979 154 HA THR 12 HA THR 12 -2.780 4.235 4.235 155 HB THR 12 HB THR 12 -0.620 2.932 2.932 156 HG1 THR 12 HG1 THR 12 -0.332 1.120 1.120 157 1HG2 THR 12 HG22 THR 12 -3.371 1.890 1.890 158 2HG2 THR 12 HG21 THR 12 -2.116 0.714 0.714 159 3HG2 THR 12 HG23 THR 12 -2.485 2.028 2.028 160 H ALA 13 HN ALA 13 -0.021 3.831 3.831 161 HA ALA 13 HA ALA 13 1.462 6.061 6.061 162 1HB ALA 13 HB3 ALA 13 1.594 4.412 4.412 163 2HB ALA 13 HB2 ALA 13 2.487 5.934 5.934 164 3HB ALA 13 HB1 ALA 13 2.824 4.665 4.665 165 H ASP 14 HN ASP 14 2.094 7.836 7.836 166 HA ASP 14 HA ASP 14 -0.292 9.409 9.409 167 1HB ASP 14 HB2 ASP 14 2.115 10.037 10.037 168 2HB ASP 14 HB1 ASP 14 2.417 10.151 10.151 169 H ASP 15 HN ASP 15 1.116 7.024 7.024 170 HA ASP 15 HA ASP 15 -0.100 8.088 8.088 171 1HB ASP 15 HB2 ASP 15 2.707 7.148 7.148 172 2HB ASP 15 HB1 ASP 15 1.900 6.886 6.886 173 H GLU 16 HN GLU 16 -0.907 6.081 6.081 174 HA GLU 16 HA GLU 16 -0.686 3.532 3.532 175 1HB GLU 16 HB2 GLU 16 -0.403 3.782 3.782 176 2HB GLU 16 HB1 GLU 16 -2.155 3.943 3.943 177 1HG GLU 16 HG2 GLU 16 -2.516 1.767 1.767 178 2HG GLU 16 HG1 GLU 16 -1.012 1.680 1.680 179 H LEU 17 HN LEU 17 -2.874 2.249 2.249 180 HA LEU 17 HA LEU 17 -5.053 4.113 4.113 181 1HB LEU 17 HB2 LEU 17 -3.651 2.661 2.661 182 2HB LEU 17 HB1 LEU 17 -4.829 1.444 1.444 183 HG LEU 17 HG LEU 17 -5.554 4.223 4.223 184 1HD1 LEU 17 HD11 LEU 17 -5.149 1.601 1.601 185 2HD1 LEU 17 HD13 LEU 17 -6.417 2.700 2.700 186 3HD1 LEU 17 HD12 LEU 17 -4.744 3.235 3.235 187 1HD2 LEU 17 HD21 LEU 17 -7.090 1.753 1.753 188 2HD2 LEU 17 HD23 LEU 17 -7.355 3.418 3.418 189 3HD2 LEU 17 HD22 LEU 17 -7.781 2.922 2.922 190 H SER 18 HN SER 18 -6.993 3.762 3.762 191 HA SER 18 HA SER 18 -7.321 1.538 1.538 192 1HB SER 18 HB2 SER 18 -9.071 2.804 2.804 193 2HB SER 18 HB1 SER 18 -7.986 4.020 4.020 194 HG SER 18 HG SER 18 -9.336 4.545 4.545 195 H PHE 19 HN PHE 19 -9.337 0.209 0.209 196 HA PHE 19 HA PHE 19 -11.037 0.143 0.143 197 1HB PHE 19 HB2 PHE 19 -10.168 -1.900 -1.900 198 2HB PHE 19 HB1 PHE 19 -9.047 -0.545 -0.545 199 HD1 PHE 19 HD1 PHE 19 -9.801 -3.636 -3.636 200 HD2 PHE 19 HD2 PHE 19 -6.852 -0.695 -0.695 201 HE1 PHE 19 HE1 PHE 19 -8.038 -5.007 -5.007 202 HE2 PHE 19 HE2 PHE 19 -5.093 -2.063 -2.063 203 HZ PHE 19 HZ PHE 19 -5.686 -4.220 -4.220 204 H LYS 20 HN LYS 20 -12.288 -2.004 -2.004 205 HA LYS 20 HA LYS 20 -12.510 -3.087 -3.087 206 1HB LYS 20 HB2 LYS 20 -14.662 -2.894 -2.894 207 2HB LYS 20 HB1 LYS 20 -14.879 -3.394 -3.394 208 1HG LYS 20 HG2 LYS 20 -13.609 -0.748 -0.748 209 2HG LYS 20 HG1 LYS 20 -15.321 -0.877 -0.877 210 1HD LYS 20 HD2 LYS 20 -15.269 -2.160 -2.160 211 2HD LYS 20 HD1 LYS 20 -13.956 -1.006 -1.006 212 1HE LYS 20 HE2 LYS 20 -15.384 0.857 0.857 213 2HE LYS 20 HE1 LYS 20 -16.662 -0.175 -0.175 214 1HZ LYS 20 HZ2 LYS 20 -15.682 -0.248 -0.248 215 2HZ LYS 20 HZ1 LYS 20 -17.084 0.566 0.566 216 3HZ LYS 20 HZ3 LYS 20 -16.992 -1.122 -1.122 217 H ARG 21 HN ARG 21 -13.882 -5.247 -5.247 218 HA ARG 21 HA ARG 21 -12.183 -7.159 -7.159 219 1HB ARG 21 HB2 ARG 21 -13.390 -7.518 -7.518 220 2HB ARG 21 HB1 ARG 21 -14.911 -7.533 -7.533 221 1HG ARG 21 HG2 ARG 21 -14.481 -9.586 -9.586 222 2HG ARG 21 HG1 ARG 21 -12.732 -9.347 -9.347 223 1HD ARG 21 HD2 ARG 21 -12.522 -10.211 -10.211 224 2HD ARG 21 HD1 ARG 21 -13.970 -9.391 -9.391 225 HE ARG 21 HE ARG 21 -13.845 -12.117 -12.117 226 1HH1 ARG 21 HH11 ARG 21 -15.847 -11.529 -11.529 227 2HH1 ARG 21 HH12 ARG 21 -17.316 -11.387 -11.387 228 1HH2 ARG 21 HH21 ARG 21 -15.706 -10.968 -10.968 229 2HH2 ARG 21 HH22 ARG 21 -17.235 -11.070 -11.070 230 H GLY 22 HN GLY 22 -12.260 -7.036 -7.036 231 1HA GLY 22 HA2 GLY 22 -13.444 -8.130 -8.130 232 2HA GLY 22 HA1 GLY 22 -14.937 -7.437 -7.437 233 H ASP 23 HN ASP 23 -12.492 -5.151 -5.151 234 HA ASP 23 HA ASP 23 -13.487 -3.603 -3.603 235 1HB ASP 23 HB2 ASP 23 -12.029 -3.180 -3.180 236 2HB ASP 23 HB1 ASP 23 -11.567 -2.128 -2.128 237 H ILE 24 HN ILE 24 -12.543 -4.707 -4.707 238 HA ILE 24 HA ILE 24 -9.708 -5.278 -5.278 239 HB ILE 24 HB ILE 24 -11.399 -4.964 -4.964 240 1HG1 ILE 24 HG12 ILE 24 -11.432 -7.172 -7.172 241 2HG1 ILE 24 HG11 ILE 24 -12.807 -6.335 -6.335 242 1HG2 ILE 24 HG21 ILE 24 -8.778 -5.509 -5.509 243 2HG2 ILE 24 HG23 ILE 24 -9.404 -7.143 -7.143 244 3HG2 ILE 24 HG22 ILE 24 -9.722 -6.217 -6.217 245 1HD1 ILE 24 HD12 ILE 24 -11.682 -7.422 -7.422 246 2HD1 ILE 24 HD11 ILE 24 -11.262 -8.638 -8.638 247 3HD1 ILE 24 HD13 ILE 24 -12.953 -8.208 -8.208 248 H LEU 25 HN LEU 25 -8.128 -3.922 -3.922 249 HA LEU 25 HA LEU 25 -8.719 -1.125 -1.125 250 1HB LEU 25 HB2 LEU 25 -6.125 -2.439 -2.439 251 2HB LEU 25 HB1 LEU 25 -6.458 -0.706 -0.706 252 HG LEU 25 HG LEU 25 -8.535 -1.527 -1.527 253 1HD1 LEU 25 HD12 LEU 25 -6.363 -3.585 -3.585 254 2HD1 LEU 25 HD11 LEU 25 -7.268 -3.115 -3.115 255 3HD1 LEU 25 HD13 LEU 25 -8.114 -3.806 -3.806 256 1HD2 LEU 25 HD21 LEU 25 -5.706 -0.838 -0.838 257 2HD2 LEU 25 HD23 LEU 25 -7.078 0.257 0.257 258 3HD2 LEU 25 HD22 LEU 25 -7.034 -0.924 -0.924 259 H LYS 26 HN LYS 26 -7.010 0.026 0.026 260 HA LYS 26 HA LYS 26 -6.530 -1.657 -1.657 261 1HB LYS 26 HB2 LYS 26 -7.965 0.498 0.498 262 2HB LYS 26 HB1 LYS 26 -6.449 1.370 1.370 263 1HG LYS 26 HG2 LYS 26 -5.878 1.078 1.078 264 2HG LYS 26 HG1 LYS 26 -6.164 -0.659 -0.659 265 1HD LYS 26 HD2 LYS 26 -8.236 -0.494 -0.494 266 2HD LYS 26 HD1 LYS 26 -8.634 0.960 0.960 267 1HE LYS 26 HE2 LYS 26 -6.563 1.290 1.290 268 2HE LYS 26 HE1 LYS 26 -8.193 0.968 0.968 269 1HZ LYS 26 HZ1 LYS 26 -8.917 2.779 2.779 270 2HZ LYS 26 HZ3 LYS 26 -7.279 3.180 3.180 271 3HZ LYS 26 HZ2 LYS 26 -8.022 3.284 3.284 272 H VAL 27 HN VAL 27 -4.464 -2.506 -2.506 273 HA VAL 27 HA VAL 27 -2.397 -1.139 -1.139 274 HB VAL 27 HB VAL 27 -1.988 -3.303 -3.303 275 1HG1 VAL 27 HG13 VAL 27 -0.108 -1.850 -1.850 276 2HG1 VAL 27 HG12 VAL 27 -0.417 -3.076 -3.076 277 3HG1 VAL 27 HG11 VAL 27 0.111 -3.560 -3.560 278 1HG2 VAL 27 HG23 VAL 27 -3.115 -3.335 -3.335 279 2HG2 VAL 27 HG22 VAL 27 -3.496 -4.373 -4.373 280 3HG2 VAL 27 HG21 VAL 27 -2.017 -4.640 -4.640 281 H LEU 28 HN LEU 28 -1.657 0.796 0.796 282 HA LEU 28 HA LEU 28 -1.227 1.423 1.423 283 1HB LEU 28 HB2 LEU 28 -0.067 3.155 3.155 284 2HB LEU 28 HB1 LEU 28 -0.830 3.626 3.626 285 HG LEU 28 HG LEU 28 -2.829 2.352 2.352 286 1HD1 LEU 28 HD11 LEU 28 -1.217 4.486 4.486 287 2HD1 LEU 28 HD13 LEU 28 -2.817 3.953 3.953 288 3HD1 LEU 28 HD12 LEU 28 -1.465 2.828 2.828 289 1HD2 LEU 28 HD22 LEU 28 -3.110 4.134 4.134 290 2HD2 LEU 28 HD21 LEU 28 -3.957 4.486 4.486 291 3HD2 LEU 28 HD23 LEU 28 -2.431 5.293 5.293 292 H ASN 29 HN ASN 29 0.604 0.517 0.517 293 HA ASN 29 HA ASN 29 3.035 0.304 0.304 294 1HB ASN 29 HB2 ASN 29 3.073 2.061 2.061 295 2HB ASN 29 HB1 ASN 29 3.251 0.663 0.663 296 1HD2 ASN 29 HD22 ASN 29 6.729 0.905 0.905 297 2HD2 ASN 29 HD21 ASN 29 5.476 0.989 0.989 298 H GLU 30 HN GLU 30 3.394 -1.782 -1.782 299 HA GLU 30 HA GLU 30 2.763 -3.826 -3.826 300 1HB GLU 30 HB2 GLU 30 1.933 -3.711 -3.711 301 2HB GLU 30 HB1 GLU 30 3.388 -4.696 -4.696 302 1HG GLU 30 HG2 GLU 30 2.217 -5.810 -5.810 303 2HG GLU 30 HG1 GLU 30 0.801 -5.341 -5.341 304 H GLU 31 HN GLU 31 4.285 -5.863 -5.863 305 HA GLU 31 HA GLU 31 6.504 -6.686 -6.686 306 1HB GLU 31 HB2 GLU 31 7.621 -3.993 -3.993 307 2HB GLU 31 HB1 GLU 31 8.455 -5.298 -5.298 308 1HG GLU 31 HG2 GLU 31 6.261 -4.780 -4.780 309 2HG GLU 31 HG1 GLU 31 6.751 -3.178 -3.178 310 H CYS 32 HN CYS 32 8.545 -6.871 -6.871 311 HA CYS 32 HA CYS 32 7.748 -8.059 -8.059 312 1HB CYS 32 HB2 CYS 32 10.377 -6.711 -6.711 313 2HB CYS 32 HB1 CYS 32 10.118 -7.725 -7.725 314 HG CYS 32 HG CYS 32 11.003 -8.995 -8.995 315 H ASP 33 HN ASP 33 8.014 -7.374 -7.374 316 HA ASP 33 HA ASP 33 8.429 -4.737 -4.737 317 1HB ASP 33 HB2 ASP 33 6.139 -4.725 -4.725 318 2HB ASP 33 HB1 ASP 33 5.576 -5.545 -5.545 319 H GLN 34 HN GLN 34 7.606 -4.461 -4.461 320 HA GLN 34 HA GLN 34 8.319 -6.952 -6.952 321 1HB GLN 34 HB2 GLN 34 9.134 -4.499 -4.499 322 2HB GLN 34 HB1 GLN 34 7.636 -4.441 -4.441 323 1HG GLN 34 HG2 GLN 34 8.851 -6.944 -6.944 324 2HG GLN 34 HG1 GLN 34 10.134 -5.736 -5.736 325 1HE2 GLN 34 HE22 GLN 34 9.043 -4.587 -4.587 326 2HE2 GLN 34 HE21 GLN 34 10.321 -4.810 -4.810 327 H ASN 35 HN ASN 35 5.927 -7.382 -7.382 328 HA ASN 35 HA ASN 35 3.821 -8.247 -8.247 329 1HB ASN 35 HB2 ASN 35 4.856 -7.787 -7.787 330 2HB ASN 35 HB1 ASN 35 3.135 -8.005 -8.005 331 1HD2 ASN 35 HD22 ASN 35 3.548 -11.490 -11.490 332 2HD2 ASN 35 HD21 ASN 35 2.635 -10.172 -10.172 333 H TRP 36 HN TRP 36 3.964 -5.712 -5.712 334 HA TRP 36 HA TRP 36 1.360 -4.644 -4.644 335 1HB TRP 36 HB2 TRP 36 3.674 -2.714 -2.714 336 2HB TRP 36 HB1 TRP 36 2.003 -2.326 -2.326 337 HD1 TRP 36 HD1 TRP 36 4.957 -4.370 -4.370 338 HE1 TRP 36 HE1 TRP 36 4.837 -4.336 -4.336 339 HE3 TRP 36 HE3 TRP 36 0.569 -1.790 -1.790 340 HZ2 TRP 36 HZ2 TRP 36 3.207 -3.328 -3.328 341 HZ3 TRP 36 HZ3 TRP 36 -0.175 -1.275 -1.275 342 HH2 TRP 36 HH2 TRP 36 1.117 -2.050 -2.050 343 H TYR 37 HN TYR 37 0.867 -2.705 -2.705 344 HA TYR 37 HA TYR 37 2.136 -2.930 -2.930 345 1HB TYR 37 HB2 TYR 37 -0.790 -3.613 -3.613 346 2HB TYR 37 HB1 TYR 37 -0.121 -3.231 -3.231 347 HD1 TYR 37 HD1 TYR 37 2.462 -4.676 -4.676 348 HD2 TYR 37 HD2 TYR 37 -1.411 -5.824 -5.824 349 HE1 TYR 37 HE1 TYR 37 3.027 -7.067 -7.067 350 HE2 TYR 37 HE2 TYR 37 -0.864 -8.203 -8.203 351 HH TYR 37 HH TYR 37 1.245 -9.325 -9.325 352 H LYS 38 HN LYS 38 1.725 -0.976 -0.976 353 HA LYS 38 HA LYS 38 0.342 1.156 1.156 354 1HB LYS 38 HB2 LYS 38 2.516 1.565 1.565 355 2HB LYS 38 HB1 LYS 38 1.496 1.450 1.450 356 1HG LYS 38 HG2 LYS 38 -0.038 3.131 3.131 357 2HG LYS 38 HG1 LYS 38 1.448 3.495 3.495 358 1HD LYS 38 HD2 LYS 38 1.856 3.357 3.357 359 2HD LYS 38 HD1 LYS 38 0.690 4.596 4.596 360 1HE LYS 38 HE2 LYS 38 2.474 5.908 5.908 361 2HE LYS 38 HE1 LYS 38 2.717 4.891 4.891 362 1HZ LYS 38 HZ1 LYS 38 4.039 3.391 3.391 363 2HZ LYS 38 HZ3 LYS 38 3.957 4.582 4.582 364 3HZ LYS 38 HZ2 LYS 38 4.739 4.917 4.917 365 H ALA 39 HN ALA 39 -1.698 1.877 1.877 366 HA ALA 39 HA ALA 39 -2.855 1.217 1.217 367 1HB ALA 39 HB2 ALA 39 -2.907 -0.965 -0.965 368 2HB ALA 39 HB1 ALA 39 -3.963 -0.189 -0.189 369 3HB ALA 39 HB3 ALA 39 -4.501 -0.370 -0.370 370 H GLU 40 HN GLU 40 -5.391 1.354 1.354 371 HA GLU 40 HA GLU 40 -6.019 3.541 3.541 372 1HB GLU 40 HB2 GLU 40 -5.662 5.170 5.170 373 2HB GLU 40 HB1 GLU 40 -4.967 4.014 4.014 374 1HG GLU 40 HG2 GLU 40 -7.386 3.654 3.654 375 2HG GLU 40 HG1 GLU 40 -7.810 5.073 5.073 376 H LEU 41 HN LEU 41 -7.969 3.564 3.564 377 HA LEU 41 HA LEU 41 -9.901 1.734 1.734 378 1HB LEU 41 HB2 LEU 41 -9.573 2.663 2.663 379 2HB LEU 41 HB1 LEU 41 -11.218 2.321 2.321 380 HG LEU 41 HG LEU 41 -8.999 0.417 0.417 381 1HD1 LEU 41 HD12 LEU 41 -10.554 0.752 0.752 382 2HD1 LEU 41 HD11 LEU 41 -9.867 -0.803 -0.803 383 3HD1 LEU 41 HD13 LEU 41 -8.811 0.582 0.582 384 1HD2 LEU 41 HD23 LEU 41 -11.263 0.313 0.313 385 2HD2 LEU 41 HD22 LEU 41 -10.829 -1.144 -1.144 386 3HD2 LEU 41 HD21 LEU 41 -11.953 0.022 0.022 387 H ASN 42 HN ASN 42 -10.672 2.781 2.781 388 HA ASN 42 HA ASN 42 -11.901 4.386 4.386 389 1HB ASN 42 HB2 ASN 42 -13.326 3.617 3.617 390 2HB ASN 42 HB1 ASN 42 -14.004 4.948 4.948 391 1HD2 ASN 42 HD22 ASN 42 -15.585 2.549 2.549 392 2HD2 ASN 42 HD21 ASN 42 -15.760 3.908 3.908 393 H GLY 43 HN GLY 43 -9.876 5.689 5.689 394 1HA GLY 43 HA2 GLY 43 -10.082 8.341 8.341 395 2HA GLY 43 HA1 GLY 43 -11.274 8.164 8.164 396 H LYS 44 HN LYS 44 -9.880 6.189 6.189 397 HA LYS 44 HA LYS 44 -7.924 7.865 7.865 398 1HB LYS 44 HB2 LYS 44 -9.333 5.324 5.324 399 2HB LYS 44 HB1 LYS 44 -7.765 5.657 5.657 400 1HG LYS 44 HG2 LYS 44 -9.548 6.547 6.547 401 2HG LYS 44 HG1 LYS 44 -8.574 7.855 7.855 402 1HD LYS 44 HD2 LYS 44 -10.968 8.412 8.412 403 2HD LYS 44 HD1 LYS 44 -10.279 8.186 8.186 404 1HE LYS 44 HE2 LYS 44 -11.178 5.921 5.921 405 2HE LYS 44 HE1 LYS 44 -11.778 6.046 6.046 406 1HZ LYS 44 HZ3 LYS 44 -13.029 8.082 8.082 407 2HZ LYS 44 HZ2 LYS 44 -12.722 7.446 7.446 408 3HZ LYS 44 HZ1 LYS 44 -13.617 6.547 6.547 409 H ASP 45 HN ASP 45 -5.891 6.837 6.837 410 HA ASP 45 HA ASP 45 -4.937 4.861 4.861 411 1HB ASP 45 HB2 ASP 45 -4.807 7.409 7.409 412 2HB ASP 45 HB1 ASP 45 -3.329 7.342 7.342 413 H GLY 46 HN GLY 46 -2.432 4.648 4.648 414 1HA GLY 46 HA2 GLY 46 -0.637 5.044 5.044 415 2HA GLY 46 HA1 GLY 46 -1.877 4.935 4.935 416 H PHE 47 HN PHE 47 0.205 3.402 3.402 417 HA PHE 47 HA PHE 47 0.357 0.874 0.874 418 1HB PHE 47 HB2 PHE 47 1.051 1.566 1.566 419 2HB PHE 47 HB1 PHE 47 1.652 0.184 0.184 420 HD1 PHE 47 HD2 PHE 47 2.504 0.997 0.997 421 HD2 PHE 47 HD1 PHE 47 2.575 3.302 3.302 422 HE1 PHE 47 HE2 PHE 47 4.320 2.405 2.405 423 HE2 PHE 47 HE1 PHE 47 4.389 4.712 4.712 424 HZ PHE 47 HZ PHE 47 5.263 4.263 4.263 425 H ILE 48 HN ILE 48 -0.081 -1.224 -1.224 426 HA ILE 48 HA ILE 48 -2.255 -1.353 -1.353 427 HB ILE 48 HB ILE 48 -3.554 -2.925 -2.925 428 1HG1 ILE 48 HG12 ILE 48 -2.242 -1.209 -1.209 429 2HG1 ILE 48 HG11 ILE 48 -1.624 -2.812 -2.812 430 1HG2 ILE 48 HG21 ILE 48 -3.842 -0.284 -0.284 431 2HG2 ILE 48 HG23 ILE 48 -3.858 -0.209 -0.209 432 3HG2 ILE 48 HG22 ILE 48 -5.021 -1.223 -1.223 433 1HD1 ILE 48 HD13 ILE 48 -4.526 -2.805 -2.805 434 2HD1 ILE 48 HD12 ILE 48 -3.654 -2.250 -2.250 435 3HD1 ILE 48 HD11 ILE 48 -3.298 -3.833 -3.833 436 HA PRO 49 HA PRO 49 0.684 -4.675 -4.675 437 1HB PRO 49 HB2 PRO 49 -0.463 -5.732 -5.732 438 2HB PRO 49 HB1 PRO 49 0.639 -4.329 -4.329 439 1HG PRO 49 HG2 PRO 49 -2.366 -4.395 -4.395 440 2HG PRO 49 HG1 PRO 49 -1.213 -3.238 -3.238 441 1HD PRO 49 HD2 PRO 49 -2.739 -2.735 -2.735 442 2HD PRO 49 HD1 PRO 49 -1.273 -1.894 -1.894 443 H LYS 50 HN LYS 50 0.539 -6.298 -6.298 444 HA LYS 50 HA LYS 50 -1.524 -7.646 -7.646 445 1HB LYS 50 HB2 LYS 50 1.036 -7.835 -7.835 446 2HB LYS 50 HB1 LYS 50 0.890 -9.143 -9.143 447 1HG LYS 50 HG2 LYS 50 -0.600 -10.361 -10.361 448 2HG LYS 50 HG1 LYS 50 -0.705 -8.997 -8.997 449 1HD LYS 50 HD2 LYS 50 1.541 -9.234 -9.234 450 2HD LYS 50 HD1 LYS 50 1.944 -10.234 -10.234 451 1HE LYS 50 HE2 LYS 50 -0.157 -11.220 -11.220 452 2HE LYS 50 HE1 LYS 50 1.534 -11.337 -11.337 453 1HZ LYS 50 HZ1 LYS 50 0.628 -12.282 -12.282 454 2HZ LYS 50 HZ3 LYS 50 0.538 -13.280 -13.280 455 3HZ LYS 50 HZ2 LYS 50 2.043 -12.692 -12.692 456 H ASN 51 HN ASN 51 -0.683 -8.147 -8.147 457 HA ASN 51 HA ASN 51 -1.584 -10.731 -10.731 458 1HB ASN 51 HB2 ASN 51 -1.150 -8.438 -8.438 459 2HB ASN 51 HB1 ASN 51 -2.103 -9.723 -9.723 460 1HD2 ASN 51 HD22 ASN 51 0.628 -12.007 -12.007 461 2HD2 ASN 51 HD21 ASN 51 -1.064 -11.878 -11.878 462 H TYR 52 HN TYR 52 -3.296 -7.739 -7.739 463 HA TYR 52 HA TYR 52 -5.898 -9.086 -9.086 464 1HB TYR 52 HB2 TYR 52 -5.172 -6.150 -6.150 465 2HB TYR 52 HB1 TYR 52 -6.775 -6.764 -6.764 466 HD1 TYR 52 HD2 TYR 52 -3.273 -7.074 -7.074 467 HD2 TYR 52 HD1 TYR 52 -7.438 -6.825 -6.825 468 HE1 TYR 52 HE2 TYR 52 -2.777 -7.003 -7.003 469 HE2 TYR 52 HE1 TYR 52 -6.951 -6.718 -6.718 470 HH TYR 52 HH TYR 52 -3.996 -7.573 -7.573 471 H ILE 53 HN ILE 53 -4.248 -9.383 -9.383 472 HA ILE 53 HA ILE 53 -6.220 -8.551 -8.551 473 HB ILE 53 HB ILE 53 -3.586 -7.692 -7.692 474 1HG1 ILE 53 HG12 ILE 53 -5.104 -5.894 -5.894 475 2HG1 ILE 53 HG11 ILE 53 -3.712 -6.853 -6.853 476 1HG2 ILE 53 HG22 ILE 53 -6.394 -6.960 -6.960 477 2HG2 ILE 53 HG21 ILE 53 -5.228 -5.660 -5.660 478 3HG2 ILE 53 HG23 ILE 53 -5.087 -7.098 -7.098 479 1HD1 ILE 53 HD11 ILE 53 -2.542 -5.831 -5.831 480 2HD1 ILE 53 HD13 ILE 53 -3.840 -4.645 -4.645 481 3HD1 ILE 53 HD12 ILE 53 -2.768 -4.822 -4.822 482 H GLU 54 HN GLU 54 -5.417 -9.032 -9.032 483 HA GLU 54 HA GLU 54 -3.487 -11.090 -11.090 484 1HB GLU 54 HB2 GLU 54 -6.278 -11.694 -11.694 485 2HB GLU 54 HB1 GLU 54 -5.665 -12.059 -12.059 486 1HG GLU 54 HG2 GLU 54 -3.696 -13.194 -13.194 487 2HG GLU 54 HG1 GLU 54 -4.863 -13.236 -13.236 488 H MET 55 HN MET 55 -3.052 -11.401 -11.401 489 HA MET 55 HA MET 55 -3.538 -8.830 -8.830 490 1HB MET 55 HB2 MET 55 -1.207 -9.880 -9.880 491 2HB MET 55 HB1 MET 55 -1.593 -10.922 -10.922 492 1HG MET 55 HG2 MET 55 -2.011 -7.973 -7.973 493 2HG MET 55 HG1 MET 55 -0.374 -8.616 -8.616 494 1HE MET 55 HE3 MET 55 0.283 -10.479 -10.479 495 2HE MET 55 HE2 MET 55 -0.983 -11.634 -11.634 496 3HE MET 55 HE1 MET 55 -0.138 -10.776 -10.776 497 H LYS 56 HN LYS 56 -5.247 -8.860 -8.860 498 HA LYS 56 HA LYS 56 -5.777 -11.270 -11.270 499 1HB LYS 56 HB2 LYS 56 -7.343 -8.917 -8.917 500 2HB LYS 56 HB1 LYS 56 -7.736 -9.691 -9.691 501 1HG LYS 56 HG2 LYS 56 -8.084 -11.815 -11.815 502 2HG LYS 56 HG1 LYS 56 -7.394 -11.226 -11.226 503 1HD LYS 56 HD2 LYS 56 -9.891 -11.318 -11.318 504 2HD LYS 56 HD1 LYS 56 -9.280 -9.679 -9.679 505 1HE LYS 56 HE2 LYS 56 -9.835 -9.065 -9.065 506 2HE LYS 56 HE1 LYS 56 -10.109 -10.742 -10.742 507 1HZ LYS 56 HZ2 LYS 56 -11.736 -9.797 -9.797 508 2HZ LYS 56 HZ1 LYS 56 -12.056 -9.060 -9.060 509 3HZ LYS 56 HZ3 LYS 56 -12.166 -10.744 -10.744 510 HA PRO 57 HA PRO 57 -3.900 -9.653 -9.653 511 1HB PRO 57 HB2 PRO 57 -4.735 -11.502 -11.502 512 2HB PRO 57 HB1 PRO 57 -3.430 -11.777 -11.777 513 1HG PRO 57 HG2 PRO 57 -6.230 -12.748 -12.748 514 2HG PRO 57 HG1 PRO 57 -4.786 -13.463 -13.463 515 1HD PRO 57 HD2 PRO 57 -6.744 -12.044 -12.044 516 2HD PRO 57 HD1 PRO 57 -5.122 -12.455 -12.455 517 H HIS 58 HN HIS 58 -4.768 -9.696 -9.696 518 HA HIS 58 HA HIS 58 -7.535 -8.631 -8.631 519 1HB HIS 58 HB2 HIS 58 -5.453 -6.863 -6.863 520 2HB HIS 58 HB1 HIS 58 -5.558 -7.056 -7.056 521 HD1 HIS 58 HD1 HIS 58 -7.813 -6.353 -6.353 522 HD2 HIS 58 HD2 HIS 58 -7.634 -5.510 -5.510 523 HE1 HIS 58 HE1 HIS 58 -9.742 -4.786 -4.786 524 HA PRO 59 HA PRO 59 -6.512 -11.392 -11.392 525 1HB PRO 59 HB2 PRO 59 -8.964 -12.628 -12.628 526 2HB PRO 59 HB1 PRO 59 -7.636 -13.159 -13.159 527 1HG PRO 59 HG2 PRO 59 -10.136 -11.696 -11.696 528 2HG PRO 59 HG1 PRO 59 -9.137 -12.779 -12.779 529 1HD PRO 59 HD2 PRO 59 -9.122 -9.953 -9.953 530 2HD PRO 59 HD1 PRO 59 -7.902 -11.033 -11.033 531 H GLU 60 HN GLU 60 -6.533 -10.207 -10.207 532 HA GLU 60 HA GLU 60 -7.299 -8.863 -8.863 533 1HB GLU 60 HB2 GLU 60 -9.108 -11.111 -11.111 534 2HB GLU 60 HB1 GLU 60 -9.958 -9.739 -9.739 535 1HG GLU 60 HG2 GLU 60 -7.270 -10.453 -10.453 536 2HG GLU 60 HG1 GLU 60 -8.645 -11.471 -11.471 537 H PHE 61 HN PHE 61 -9.724 -7.785 -7.785 538 HA PHE 61 HA PHE 61 -10.001 -5.644 -5.644 539 1HB PHE 61 HB2 PHE 61 -10.172 -5.642 -5.642 540 2HB PHE 61 HB1 PHE 61 -11.880 -5.853 -5.853 541 HD1 PHE 61 HD1 PHE 61 -8.935 -3.653 -3.653 542 HD2 PHE 61 HD2 PHE 61 -13.164 -4.099 -4.099 543 HE1 PHE 61 HE1 PHE 61 -9.111 -1.240 -1.240 544 HE2 PHE 61 HE2 PHE 61 -13.341 -1.686 -1.686 545 HZ PHE 61 HZ PHE 61 -11.314 -0.257 -0.257 546 H ILE 62 HN ILE 62 -10.934 -6.800 -6.800 547 HA ILE 62 HA ILE 62 -12.708 -7.528 -7.528 548 HB ILE 62 HB ILE 62 -13.742 -5.510 -5.510 549 1HG1 ILE 62 HG12 ILE 62 -15.552 -6.867 -6.867 550 2HG1 ILE 62 HG11 ILE 62 -14.006 -6.238 -6.238 551 1HG2 ILE 62 HG21 ILE 62 -14.832 -7.523 -7.523 552 2HG2 ILE 62 HG23 ILE 62 -15.969 -7.530 -7.530 553 3HG2 ILE 62 HG22 ILE 62 -15.775 -6.081 -6.081 554 1HD1 ILE 62 HD13 ILE 62 -15.944 -4.580 -4.580 555 2HD1 ILE 62 HD12 ILE 62 -15.964 -4.614 -4.614 556 3HD1 ILE 62 HD11 ILE 62 -14.541 -4.017 -4.017 557 H VAL 63 HN VAL 63 -14.703 -9.098 -9.098 558 HA VAL 63 HA VAL 63 -14.438 -11.052 -11.052 559 HB VAL 63 HB VAL 63 -14.285 -11.852 -11.852 560 1HG1 VAL 63 HG13 VAL 63 -14.281 -13.318 -13.318 561 2HG1 VAL 63 HG12 VAL 63 -13.472 -14.014 -14.014 562 3HG1 VAL 63 HG11 VAL 63 -15.201 -13.670 -13.670 563 1HG2 VAL 63 HG21 VAL 63 -12.154 -11.498 -11.498 564 2HG2 VAL 63 HG23 VAL 63 -12.199 -10.805 -10.805 565 3HG2 VAL 63 HG22 VAL 63 -11.912 -12.531 -12.531 566 H THR 64 HN THR 64 -16.047 -10.719 -10.719 567 HA THR 64 HA THR 64 -18.517 -11.887 -11.887 568 HB THR 64 HB THR 64 -18.480 -10.359 -10.359 569 HG1 THR 64 HG1 THR 64 -16.668 -11.326 -11.326 570 1HG2 THR 64 HG22 THR 64 -19.509 -13.068 -13.068 571 2HG2 THR 64 HG21 THR 64 -19.711 -12.401 -12.401 572 3HG2 THR 64 HG23 THR 64 -20.469 -11.608 -11.608 573 H ASP 65 HN ASP 65 -20.097 -10.772 -10.772 574 HA ASP 65 HA ASP 65 -20.596 -7.940 -7.940 575 1HB ASP 65 HB2 ASP 65 -18.837 -8.074 -8.074 576 2HB ASP 65 HB1 ASP 65 -20.139 -8.697 -8.697 577 1H SER 1 HT2 SER 1 -16.906 -11.285 -11.285 578 2H SER 1 HT1 SER 1 -17.831 -10.744 -10.744 579 3H SER 1 HT3 SER 1 -17.263 -9.633 -9.633 580 HA SER 1 HA SER 1 -15.762 -9.314 -9.314 581 1HB SER 1 HB2 SER 1 -16.088 -12.284 -12.284 582 2HB SER 1 HB1 SER 1 -14.799 -11.361 -11.361 583 HG SER 1 HG SER 1 -16.492 -11.289 -11.289 584 HA PRO 2 HA PRO 2 -13.044 -10.653 -10.653 585 1HB PRO 2 HB2 PRO 2 -12.200 -8.127 -8.127 586 2HB PRO 2 HB1 PRO 2 -13.651 -8.895 -8.895 587 1HG PRO 2 HG2 PRO 2 -13.453 -6.716 -6.716 588 2HG PRO 2 HG1 PRO 2 -14.770 -7.080 -7.080 589 1HD PRO 2 HD2 PRO 2 -14.720 -7.731 -7.731 590 2HD PRO 2 HD1 PRO 2 -15.865 -8.363 -8.363 591 H LEU 3 HN LEU 3 -11.746 -7.598 -7.598 592 HA LEU 3 HA LEU 3 -9.786 -7.153 -7.153 593 1HB LEU 3 HB2 LEU 3 -11.145 -8.665 -8.665 594 2HB LEU 3 HB1 LEU 3 -9.996 -9.922 -9.922 595 HG LEU 3 HG LEU 3 -8.400 -7.660 -7.660 596 1HD1 LEU 3 HD11 LEU 3 -10.356 -6.610 -6.610 597 2HD1 LEU 3 HD13 LEU 3 -10.492 -8.005 -8.005 598 3HD1 LEU 3 HD12 LEU 3 -9.071 -6.963 -6.963 599 1HD2 LEU 3 HD21 LEU 3 -7.897 -10.045 -10.045 600 2HD2 LEU 3 HD23 LEU 3 -7.601 -8.993 -8.993 601 3HD2 LEU 3 HD22 LEU 3 -9.060 -9.983 -9.983 602 H LEU 4 HN LEU 4 -8.063 -7.104 -7.104 603 HA LEU 4 HA LEU 4 -6.704 -9.711 -9.711 604 1HB LEU 4 HB2 LEU 4 -7.727 -7.701 -7.701 605 2HB LEU 4 HB1 LEU 4 -6.072 -8.225 -8.225 606 HG LEU 4 HG LEU 4 -7.047 -10.633 -10.633 607 1HD1 LEU 4 HD13 LEU 4 -9.332 -9.274 -9.274 608 2HD1 LEU 4 HD12 LEU 4 -9.542 -9.537 -9.537 609 3HD1 LEU 4 HD11 LEU 4 -9.319 -10.913 -10.913 610 1HD2 LEU 4 HD22 LEU 4 -6.143 -9.678 -9.678 611 2HD2 LEU 4 HD21 LEU 4 -7.485 -10.792 -10.792 612 3HD2 LEU 4 HD23 LEU 4 -7.752 -9.051 -9.051 613 HA PRO 5 HA PRO 5 -3.810 -6.383 -6.383 614 1HB PRO 5 HB2 PRO 5 -3.155 -7.574 -7.574 615 2HB PRO 5 HB1 PRO 5 -4.483 -6.414 -6.414 616 1HG PRO 5 HG2 PRO 5 -4.616 -9.382 -9.382 617 2HG PRO 5 HG1 PRO 5 -5.813 -8.150 -8.150 618 1HD PRO 5 HD2 PRO 5 -5.917 -9.815 -9.815 619 2HD PRO 5 HD1 PRO 5 -6.892 -8.359 -8.359 620 H LYS 6 HN LYS 6 -2.291 -7.070 -7.070 621 HA LYS 6 HA LYS 6 -0.480 -9.273 -9.273 622 1HB LYS 6 HB2 LYS 6 -2.055 -10.006 -10.006 623 2HB LYS 6 HB1 LYS 6 -1.269 -8.816 -8.816 624 1HG LYS 6 HG2 LYS 6 0.943 -9.985 -9.985 625 2HG LYS 6 HG1 LYS 6 -0.138 -11.331 -11.331 626 1HD LYS 6 HD2 LYS 6 0.459 -11.800 -11.800 627 2HD LYS 6 HD1 LYS 6 -1.048 -10.910 -10.910 628 1HE LYS 6 HE2 LYS 6 0.166 -9.593 -9.593 629 2HE LYS 6 HE1 LYS 6 0.796 -8.870 -8.870 630 1HZ LYS 6 HZ1 LYS 6 2.009 -11.243 -11.243 631 2HZ LYS 6 HZ3 LYS 6 2.514 -9.655 -9.655 632 3HZ LYS 6 HZ2 LYS 6 2.663 -10.300 -10.300 633 H LEU 7 HN LEU 7 -0.619 -6.945 -6.945 634 HA LEU 7 HA LEU 7 2.113 -6.444 -6.444 635 1HB LEU 7 HB2 LEU 7 -0.239 -4.564 -4.564 636 2HB LEU 7 HB1 LEU 7 1.399 -4.141 -4.141 637 HG LEU 7 HG LEU 7 0.123 -6.710 -6.710 638 1HD1 LEU 7 HD11 LEU 7 -1.052 -4.268 -4.268 639 2HD1 LEU 7 HD13 LEU 7 0.037 -4.451 -4.451 640 3HD1 LEU 7 HD12 LEU 7 -1.178 -5.687 -5.687 641 1HD2 LEU 7 HD22 LEU 7 2.237 -4.861 -4.861 642 2HD2 LEU 7 HD21 LEU 7 2.549 -6.383 -6.383 643 3HD2 LEU 7 HD23 LEU 7 1.709 -6.384 -6.384 644 HA PRO 8 HA PRO 8 2.670 -4.499 -4.499 645 1HB PRO 8 HB2 PRO 8 5.299 -5.207 -5.207 646 2HB PRO 8 HB1 PRO 8 3.946 -6.289 -6.289 647 1HG PRO 8 HG2 PRO 8 5.843 -6.409 -6.409 648 2HG PRO 8 HG1 PRO 8 4.847 -7.698 -7.698 649 1HD PRO 8 HD2 PRO 8 4.311 -6.192 -6.192 650 2HD PRO 8 HD1 PRO 8 3.261 -7.397 -7.397 651 HA PRO 9 HA PRO 9 4.782 -0.990 -0.990 652 1HB PRO 9 HB2 PRO 9 3.631 0.980 0.980 653 2HB PRO 9 HB1 PRO 9 2.839 0.264 0.264 654 1HG PRO 9 HG2 PRO 9 2.238 -0.153 -0.153 655 2HG PRO 9 HG1 PRO 9 1.175 -0.347 -0.347 656 1HD PRO 9 HD2 PRO 9 2.476 -2.442 -2.442 657 2HD PRO 9 HD1 PRO 9 1.621 -2.590 -2.590 658 H LYS 10 HN LYS 10 6.815 -0.228 -0.228 659 HA LYS 10 HA LYS 10 7.384 0.705 0.705 660 1HB LYS 10 HB2 LYS 10 8.908 -1.156 -1.156 661 2HB LYS 10 HB1 LYS 10 7.209 -1.630 -1.630 662 1HG LYS 10 HG2 LYS 10 7.526 -2.651 -2.651 663 2HG LYS 10 HG1 LYS 10 9.206 -2.111 -2.111 664 1HD LYS 10 HD2 LYS 10 8.149 -3.862 -3.862 665 2HD LYS 10 HD1 LYS 10 8.781 -4.545 -4.545 666 1HE LYS 10 HE2 LYS 10 10.946 -3.862 -3.862 667 2HE LYS 10 HE1 LYS 10 10.428 -2.485 -2.485 668 1HZ LYS 10 HZ1 LYS 10 10.145 -5.318 -5.318 669 2HZ LYS 10 HZ3 LYS 10 11.421 -4.307 -4.307 670 3HZ LYS 10 HZ2 LYS 10 9.829 -3.940 -3.940 671 H THR 11 HN THR 11 9.919 0.730 0.730 672 HA THR 11 HA THR 11 11.479 0.765 0.765 673 HB THR 11 HB THR 11 12.111 3.224 3.224 674 HG1 THR 11 HG1 THR 11 11.171 4.065 4.065 675 1HG2 THR 11 HG23 THR 11 10.445 2.172 2.172 676 2HG2 THR 11 HG22 THR 11 9.229 3.006 3.006 677 3HG2 THR 11 HG21 THR 11 10.528 3.922 3.922 678 H TYR 12 HN TYR 12 13.799 1.188 1.188 679 HA TYR 12 HA TYR 12 14.576 1.348 1.348 680 1HB TYR 12 HB2 TYR 12 14.043 -1.091 -1.091 681 2HB TYR 12 HB1 TYR 12 15.387 -1.085 -1.085 682 HD1 TYR 12 HD2 TYR 12 14.642 -0.015 -0.015 683 HD2 TYR 12 HD1 TYR 12 17.485 -1.716 -1.716 684 HE1 TYR 12 HE2 TYR 12 16.234 -0.359 -0.359 685 HE2 TYR 12 HE1 TYR 12 19.077 -2.060 -2.060 686 HH TYR 12 HH TYR 12 19.158 -0.618 -0.618 687 H LYS 13 HN LYS 13 16.586 2.267 2.267 688 HA LYS 13 HA LYS 13 18.737 1.982 1.982 689 1HB LYS 13 HB2 LYS 13 16.994 3.427 3.427 690 2HB LYS 13 HB1 LYS 13 17.508 4.723 4.723 691 1HG LYS 13 HG2 LYS 13 18.899 4.872 4.872 692 2HG LYS 13 HG1 LYS 13 19.899 4.187 4.187 693 1HD LYS 13 HD2 LYS 13 18.783 1.922 1.922 694 2HD LYS 13 HD1 LYS 13 18.963 2.952 2.952 695 1HE LYS 13 HE2 LYS 13 21.062 1.979 1.979 696 2HE LYS 13 HE1 LYS 13 21.367 3.392 3.392 697 1HZ LYS 13 HZ1 LYS 13 20.798 1.981 1.981 698 2HZ LYS 13 HZ3 LYS 13 20.740 0.638 0.638 699 3HZ LYS 13 HZ2 LYS 13 22.200 1.484 1.484 700 H ARG 14 HN ARG 14 19.873 1.792 1.792 701 HA ARG 14 HA ARG 14 20.708 4.348 4.348 702 1HB ARG 14 HB2 ARG 14 18.645 3.665 3.665 703 2HB ARG 14 HB1 ARG 14 19.510 2.210 2.210 704 1HG ARG 14 HG2 ARG 14 20.973 3.374 3.374 705 2HG ARG 14 HG1 ARG 14 20.858 4.849 4.849 706 1HD ARG 14 HD2 ARG 14 18.435 5.016 5.016 707 2HD ARG 14 HD1 ARG 14 18.848 3.764 3.764 708 HE ARG 14 HE ARG 14 20.067 6.489 6.489 709 1HH1 ARG 14 HH21 ARG 14 21.351 3.831 3.831 710 2HH1 ARG 14 HH22 ARG 14 21.091 4.149 4.149 711 1HH2 ARG 14 HH11 ARG 14 18.877 6.758 6.758 712 2HH2 ARG 14 HH12 ARG 14 19.689 5.805 5.805 713 H GLU 15 HN GLU 15 22.575 3.994 3.994 714 HA GLU 15 HA GLU 15 24.135 1.613 1.613 715 1HB GLU 15 HB2 GLU 15 24.864 4.329 4.329 716 2HB GLU 15 HB1 GLU 15 26.020 3.002 3.002 717 1HG GLU 15 HG2 GLU 15 24.630 3.769 3.769 718 2HG GLU 15 HG1 GLU 15 26.189 4.443 4.443 Start of MODEL 13 1 1H GLY -8 HT1 GLY -8 9.850 -10.426 -10.426 2 2H GLY -8 HT3 GLY -8 10.160 -11.748 -11.748 3 3H GLY -8 HT2 GLY -8 11.323 -10.524 -10.524 4 1HA GLY -8 HA1 GLY -8 10.294 -9.726 -9.726 5 2HA GLY -8 HA2 GLY -8 8.844 -10.695 -10.695 6 H SER -7 HN SER -7 8.179 -8.536 -8.536 7 HA SER -7 HA SER -7 8.475 -6.150 -6.150 8 1HB SER -7 HB2 SER -7 9.427 -6.422 -6.422 9 2HB SER -7 HB1 SER -7 8.630 -4.912 -4.912 10 HG SER -7 HG SER -7 10.978 -6.075 -6.075 11 H ARG -6 HN ARG -6 6.399 -5.637 -5.637 12 HA ARG -6 HA ARG -6 4.438 -5.444 -5.444 13 1HB ARG -6 HB2 ARG -6 2.712 -6.569 -6.569 14 2HB ARG -6 HB1 ARG -6 4.020 -7.651 -7.651 15 1HG ARG -6 HG2 ARG -6 5.015 -7.593 -7.593 16 2HG ARG -6 HG1 ARG -6 4.144 -6.131 -6.131 17 1HD ARG -6 HD2 ARG -6 3.192 -8.137 -8.137 18 2HD ARG -6 HD1 ARG -6 2.025 -7.376 -7.376 19 HE ARG -6 HE ARG -6 2.977 -9.196 -9.196 20 1HH1 ARG -6 HH11 ARG -6 4.294 -11.176 -11.176 21 2HH1 ARG -6 HH12 ARG -6 3.181 -12.126 -12.126 22 1HH2 ARG -6 HH21 ARG -6 0.723 -9.683 -9.683 23 2HH2 ARG -6 HH22 ARG -6 1.160 -11.281 -11.281 24 H ARG -5 HN ARG -5 5.710 -3.292 -3.292 25 HA ARG -5 HA ARG -5 3.848 -2.205 -2.205 26 1HB ARG -5 HB2 ARG -5 6.626 -1.569 -1.569 27 2HB ARG -5 HB1 ARG -5 5.648 -0.239 -0.239 28 1HG ARG -5 HG2 ARG -5 5.104 -1.840 -1.840 29 2HG ARG -5 HG1 ARG -5 6.502 -2.761 -2.761 30 1HD ARG -5 HD2 ARG -5 6.575 0.200 0.200 31 2HD ARG -5 HD1 ARG -5 7.061 -1.065 -1.065 32 HE ARG -5 HE ARG -5 8.460 -0.461 -0.461 33 1HH1 ARG -5 HH11 ARG -5 8.876 -3.260 -3.260 34 2HH1 ARG -5 HH12 ARG -5 10.265 -3.133 -3.133 35 1HH2 ARG -5 HH21 ARG -5 9.996 0.303 0.303 36 2HH2 ARG -5 HH22 ARG -5 10.899 -1.116 -1.116 37 H ALA -4 HN ALA -4 3.092 -2.572 -2.572 38 HA ALA -4 HA ALA -4 3.000 0.168 0.168 39 1HB ALA -4 HB2 ALA -4 3.283 -1.964 -1.964 40 2HB ALA -4 HB1 ALA -4 1.571 -2.261 -2.261 41 3HB ALA -4 HB3 ALA -4 2.072 -0.810 -0.810 42 H SER -3 HN SER -3 0.925 -2.078 -2.078 43 HA SER -3 HA SER -3 -1.606 -0.887 -0.887 44 1HB SER -3 HB2 SER -3 -1.558 -3.011 -3.011 45 2HB SER -3 HB1 SER -3 -0.561 -2.379 -2.379 46 HG SER -3 HG SER -3 -3.186 -2.468 -2.468 47 H VAL -2 HN VAL -2 -2.809 0.680 0.680 48 HA VAL -2 HA VAL -2 -1.094 2.556 2.556 49 HB VAL -2 HB VAL -2 -3.694 3.151 3.151 50 1HG1 VAL -2 HG12 VAL -2 -1.779 4.703 4.703 51 2HG1 VAL -2 HG11 VAL -2 -2.440 5.516 5.516 52 3HG1 VAL -2 HG13 VAL -2 -3.523 4.888 4.888 53 1HG2 VAL -2 HG21 VAL -2 -1.684 2.479 2.479 54 2HG2 VAL -2 HG23 VAL -2 -2.395 4.056 4.056 55 3HG2 VAL -2 HG22 VAL -2 -0.901 3.944 3.944 56 H GLY -1 HN GLY -1 -4.048 0.667 0.667 57 1HA GLY -1 HA2 GLY -1 -5.264 1.899 1.899 58 2HA GLY -1 HA1 GLY -1 -5.649 0.297 0.297 59 H SER 0 HN SER 0 -5.420 -1.141 -1.141 60 HA SER 0 HA SER 0 -2.899 -1.750 -1.750 61 1HB SER 0 HB2 SER 0 -3.895 -1.091 -1.091 62 2HB SER 0 HB1 SER 0 -2.885 0.015 0.015 63 HG SER 0 HG SER 0 -4.630 1.156 1.156 64 H MET 1 HN MET 1 -3.452 -3.095 -3.095 65 HA MET 1 HA MET 1 -5.689 -4.906 -4.906 66 1HB MET 1 HB2 MET 1 -3.030 -5.368 -5.368 67 2HB MET 1 HB1 MET 1 -4.368 -6.423 -6.423 68 1HG MET 1 HG2 MET 1 -4.749 -7.104 -7.104 69 2HG MET 1 HG1 MET 1 -3.661 -5.865 -5.865 70 1HE MET 1 HE3 MET 1 -4.084 -9.215 -9.215 71 2HE MET 1 HE2 MET 1 -2.748 -10.071 -10.071 72 3HE MET 1 HE1 MET 1 -3.981 -9.308 -9.308 73 H GLU 2 HN GLU 2 -6.411 -6.201 -6.201 74 HA GLU 2 HA GLU 2 -6.916 -4.164 -4.164 75 1HB GLU 2 HB2 GLU 2 -8.711 -5.689 -5.689 76 2HB GLU 2 HB1 GLU 2 -9.001 -6.026 -6.026 77 1HG GLU 2 HG2 GLU 2 -8.749 -3.318 -3.318 78 2HG GLU 2 HG1 GLU 2 -9.438 -3.534 -3.534 79 H ALA 3 HN ALA 3 -7.578 -5.399 -5.399 80 HA ALA 3 HA ALA 3 -6.530 -8.110 -8.110 81 1HB ALA 3 HB2 ALA 3 -4.732 -6.194 -6.194 82 2HB ALA 3 HB1 ALA 3 -5.401 -6.180 -6.180 83 3HB ALA 3 HB3 ALA 3 -4.712 -7.657 -7.657 84 H ILE 4 HN ILE 4 -8.084 -9.060 -9.060 85 HA ILE 4 HA ILE 4 -10.159 -7.838 -7.838 86 HB ILE 4 HB ILE 4 -10.376 -10.043 -10.043 87 1HG1 ILE 4 HG12 ILE 4 -10.539 -10.836 -10.836 88 2HG1 ILE 4 HG11 ILE 4 -11.245 -9.250 -9.250 89 1HG2 ILE 4 HG21 ILE 4 -7.871 -10.522 -10.522 90 2HG2 ILE 4 HG23 ILE 4 -8.714 -11.276 -11.276 91 3HG2 ILE 4 HG22 ILE 4 -9.028 -11.816 -11.816 92 1HD1 ILE 4 HD12 ILE 4 -11.845 -11.508 -11.508 93 2HD1 ILE 4 HD11 ILE 4 -12.685 -11.399 -11.399 94 3HD1 ILE 4 HD13 ILE 4 -12.808 -10.083 -10.083 95 H ALA 5 HN ALA 5 -10.226 -6.915 -6.915 96 HA ALA 5 HA ALA 5 -8.027 -7.159 -7.159 97 1HB ALA 5 HB1 ALA 5 -10.723 -5.783 -5.783 98 2HB ALA 5 HB3 ALA 5 -9.688 -5.885 -5.885 99 3HB ALA 5 HB2 ALA 5 -9.122 -5.041 -5.041 100 H LYS 6 HN LYS 6 -7.924 -9.209 -9.209 101 HA LYS 6 HA LYS 6 -10.049 -11.019 -11.019 102 1HB LYS 6 HB2 LYS 6 -7.447 -10.807 -10.807 103 2HB LYS 6 HB1 LYS 6 -8.493 -12.228 -12.228 104 1HG LYS 6 HG2 LYS 6 -8.032 -12.653 -12.653 105 2HG LYS 6 HG1 LYS 6 -7.551 -10.989 -10.989 106 1HD LYS 6 HD2 LYS 6 -5.551 -12.332 -12.332 107 2HD LYS 6 HD1 LYS 6 -5.554 -11.359 -11.359 108 1HE LYS 6 HE2 LYS 6 -5.060 -13.454 -13.454 109 2HE LYS 6 HE1 LYS 6 -6.819 -13.464 -13.464 110 1HZ LYS 6 HZ3 LYS 6 -6.789 -14.504 -14.504 111 2HZ LYS 6 HZ2 LYS 6 -5.121 -14.747 -14.747 112 3HZ LYS 6 HZ1 LYS 6 -6.238 -15.482 -15.482 113 H TYR 7 HN TYR 7 -8.906 -8.447 -8.447 114 HA TYR 7 HA TYR 7 -11.283 -8.943 -8.943 115 1HB TYR 7 HB2 TYR 7 -8.642 -8.487 -8.487 116 2HB TYR 7 HB1 TYR 7 -10.111 -9.180 -9.180 117 HD1 TYR 7 HD2 TYR 7 -7.306 -9.792 -9.792 118 HD2 TYR 7 HD1 TYR 7 -10.484 -11.517 -11.517 119 HE1 TYR 7 HE2 TYR 7 -6.405 -12.041 -12.041 120 HE2 TYR 7 HE1 TYR 7 -9.596 -13.791 -13.791 121 HH TYR 7 HH TYR 7 -8.186 -14.903 -14.903 122 H ASP 8 HN ASP 8 -11.034 -7.219 -7.219 123 HA ASP 8 HA ASP 8 -11.094 -4.660 -4.660 124 1HB ASP 8 HB2 ASP 8 -12.112 -3.816 -3.816 125 2HB ASP 8 HB1 ASP 8 -12.840 -5.379 -5.379 126 H PHE 9 HN PHE 9 -9.929 -2.778 -2.778 127 HA PHE 9 HA PHE 9 -7.778 -2.926 -2.926 128 1HB PHE 9 HB2 PHE 9 -6.644 -4.407 -4.407 129 2HB PHE 9 HB1 PHE 9 -7.194 -3.537 -3.537 130 HD1 PHE 9 HD1 PHE 9 -6.135 -1.506 -1.506 131 HD2 PHE 9 HD2 PHE 9 -4.754 -3.605 -3.605 132 HE1 PHE 9 HE1 PHE 9 -4.016 -0.201 -0.201 133 HE2 PHE 9 HE2 PHE 9 -2.638 -2.303 -2.303 134 HZ PHE 9 HZ PHE 9 -2.270 -0.598 -0.598 135 H LYS 10 HN LYS 10 -6.334 -0.850 -0.850 136 HA LYS 10 HA LYS 10 -7.657 1.204 1.204 137 1HB LYS 10 HB2 LYS 10 -8.137 2.712 2.712 138 2HB LYS 10 HB1 LYS 10 -8.662 1.155 1.155 139 1HG LYS 10 HG2 LYS 10 -6.349 0.965 0.965 140 2HG LYS 10 HG1 LYS 10 -6.126 2.666 2.666 141 1HD LYS 10 HD2 LYS 10 -7.006 2.833 2.833 142 2HD LYS 10 HD1 LYS 10 -8.464 2.963 2.963 143 1HE LYS 10 HE2 LYS 10 -9.141 1.321 1.321 144 2HE LYS 10 HE1 LYS 10 -8.431 0.314 0.314 145 1HZ LYS 10 HZ1 LYS 10 -6.837 1.321 1.321 146 2HZ LYS 10 HZ3 LYS 10 -7.710 -0.130 -0.130 147 3HZ LYS 10 HZ2 LYS 10 -6.474 0.043 0.043 148 H ALA 11 HN ALA 11 -6.426 3.223 3.223 149 HA ALA 11 HA ALA 11 -3.699 2.639 2.639 150 1HB ALA 11 HB1 ALA 11 -5.266 4.485 4.485 151 2HB ALA 11 HB3 ALA 11 -4.676 5.445 5.445 152 3HB ALA 11 HB2 ALA 11 -3.534 4.808 4.808 153 H THR 12 HN THR 12 -1.896 2.938 2.938 154 HA THR 12 HA THR 12 -2.464 4.064 4.064 155 HB THR 12 HB THR 12 -0.841 2.587 2.587 156 HG1 THR 12 HG1 THR 12 0.831 2.022 2.022 157 1HG2 THR 12 HG22 THR 12 -2.976 1.483 1.483 158 2HG2 THR 12 HG21 THR 12 -2.201 1.001 1.001 159 3HG2 THR 12 HG23 THR 12 -1.607 0.372 0.372 160 H ALA 13 HN ALA 13 -0.066 3.887 3.887 161 HA ALA 13 HA ALA 13 1.533 6.056 6.056 162 1HB ALA 13 HB1 ALA 13 1.866 4.252 4.252 163 2HB ALA 13 HB3 ALA 13 2.807 5.741 5.741 164 3HB ALA 13 HB2 ALA 13 2.957 4.497 4.497 165 H ASP 14 HN ASP 14 2.102 7.890 7.890 166 HA ASP 14 HA ASP 14 -0.151 9.357 9.357 167 1HB ASP 14 HB2 ASP 14 2.219 10.024 10.024 168 2HB ASP 14 HB1 ASP 14 2.623 9.939 9.939 169 H ASP 15 HN ASP 15 1.783 7.057 7.057 170 HA ASP 15 HA ASP 15 0.501 7.823 7.823 171 1HB ASP 15 HB2 ASP 15 3.094 8.028 8.028 172 2HB ASP 15 HB1 ASP 15 3.052 6.275 6.275 173 H GLU 16 HN GLU 16 -0.765 6.105 6.105 174 HA GLU 16 HA GLU 16 -0.420 3.439 3.439 175 1HB GLU 16 HB2 GLU 16 -0.058 3.753 3.753 176 2HB GLU 16 HB1 GLU 16 -1.810 3.909 3.909 177 1HG GLU 16 HG2 GLU 16 -2.114 1.696 1.696 178 2HG GLU 16 HG1 GLU 16 -1.021 1.639 1.639 179 H LEU 17 HN LEU 17 -2.583 2.176 2.176 180 HA LEU 17 HA LEU 17 -4.768 4.078 4.078 181 1HB LEU 17 HB2 LEU 17 -3.748 2.990 2.990 182 2HB LEU 17 HB1 LEU 17 -4.140 1.416 1.416 183 HG LEU 17 HG LEU 17 -6.585 2.276 2.276 184 1HD1 LEU 17 HD11 LEU 17 -5.749 4.663 4.663 185 2HD1 LEU 17 HD13 LEU 17 -5.576 4.085 4.085 186 3HD1 LEU 17 HD12 LEU 17 -7.161 4.082 4.082 187 1HD2 LEU 17 HD22 LEU 17 -4.940 1.301 1.301 188 2HD2 LEU 17 HD21 LEU 17 -6.406 0.617 0.617 189 3HD2 LEU 17 HD23 LEU 17 -6.523 1.958 1.958 190 H SER 18 HN SER 18 -6.894 3.533 3.533 191 HA SER 18 HA SER 18 -7.145 1.403 1.403 192 1HB SER 18 HB2 SER 18 -9.209 3.395 3.395 193 2HB SER 18 HB1 SER 18 -8.618 2.727 2.727 194 HG SER 18 HG SER 18 -8.075 5.053 5.053 195 H PHE 19 HN PHE 19 -8.988 0.000 0.000 196 HA PHE 19 HA PHE 19 -10.971 0.137 0.137 197 1HB PHE 19 HB2 PHE 19 -10.283 -1.907 -1.907 198 2HB PHE 19 HB1 PHE 19 -9.113 -0.601 -0.601 199 HD1 PHE 19 HD1 PHE 19 -9.844 -3.720 -3.720 200 HD2 PHE 19 HD2 PHE 19 -6.865 -0.849 -0.849 201 HE1 PHE 19 HE1 PHE 19 -8.065 -5.199 -5.199 202 HE2 PHE 19 HE2 PHE 19 -5.088 -2.322 -2.322 203 HZ PHE 19 HZ PHE 19 -5.689 -4.496 -4.496 204 H LYS 20 HN LYS 20 -12.328 -1.961 -1.961 205 HA LYS 20 HA LYS 20 -12.233 -3.100 -3.100 206 1HB LYS 20 HB2 LYS 20 -14.630 -2.714 -2.714 207 2HB LYS 20 HB1 LYS 20 -14.661 -3.322 -3.322 208 1HG LYS 20 HG2 LYS 20 -13.374 -0.682 -0.682 209 2HG LYS 20 HG1 LYS 20 -15.131 -0.777 -0.777 210 1HD LYS 20 HD2 LYS 20 -15.171 -1.206 -1.206 211 2HD LYS 20 HD1 LYS 20 -13.679 -2.145 -2.145 212 1HE LYS 20 HE2 LYS 20 -13.277 0.697 0.697 213 2HE LYS 20 HE1 LYS 20 -13.901 0.427 0.427 214 1HZ LYS 20 HZ1 LYS 20 -11.633 -1.135 -1.135 215 2HZ LYS 20 HZ3 LYS 20 -11.398 0.366 0.366 216 3HZ LYS 20 HZ2 LYS 20 -12.099 -0.917 -0.917 217 H ARG 21 HN ARG 21 -13.721 -5.198 -5.198 218 HA ARG 21 HA ARG 21 -12.304 -7.143 -7.143 219 1HB ARG 21 HB2 ARG 21 -13.315 -7.484 -7.484 220 2HB ARG 21 HB1 ARG 21 -14.898 -7.501 -7.501 221 1HG ARG 21 HG2 ARG 21 -14.499 -9.522 -9.522 222 2HG ARG 21 HG1 ARG 21 -12.748 -9.293 -9.293 223 1HD ARG 21 HD2 ARG 21 -12.525 -10.307 -10.307 224 2HD ARG 21 HD1 ARG 21 -13.826 -9.348 -9.348 225 HE ARG 21 HE ARG 21 -14.259 -11.882 -11.882 226 1HH1 ARG 21 HH21 ARG 21 -16.798 -11.405 -11.405 227 2HH1 ARG 21 HH22 ARG 21 -17.479 -11.415 -11.415 228 1HH2 ARG 21 HH11 ARG 21 -14.419 -11.066 -11.066 229 2HH2 ARG 21 HH12 ARG 21 -16.132 -11.223 -11.223 230 H GLY 22 HN GLY 22 -12.671 -7.122 -7.122 231 1HA GLY 22 HA2 GLY 22 -14.187 -8.022 -8.022 232 2HA GLY 22 HA1 GLY 22 -15.517 -7.216 -7.216 233 H ASP 23 HN ASP 23 -12.978 -5.077 -5.077 234 HA ASP 23 HA ASP 23 -13.983 -3.577 -3.577 235 1HB ASP 23 HB2 ASP 23 -13.193 -2.877 -2.877 236 2HB ASP 23 HB1 ASP 23 -11.934 -2.252 -2.252 237 H ILE 24 HN ILE 24 -12.966 -4.498 -4.498 238 HA ILE 24 HA ILE 24 -10.201 -5.281 -5.281 239 HB ILE 24 HB ILE 24 -11.708 -4.645 -4.645 240 1HG1 ILE 24 HG12 ILE 24 -12.108 -6.951 -6.951 241 2HG1 ILE 24 HG11 ILE 24 -13.341 -5.944 -5.944 242 1HG2 ILE 24 HG23 ILE 24 -9.192 -5.477 -5.477 243 2HG2 ILE 24 HG22 ILE 24 -9.990 -7.041 -7.041 244 3HG2 ILE 24 HG21 ILE 24 -10.130 -6.038 -6.038 245 1HD1 ILE 24 HD11 ILE 24 -12.209 -7.022 -7.022 246 2HD1 ILE 24 HD13 ILE 24 -11.929 -8.326 -8.326 247 3HD1 ILE 24 HD12 ILE 24 -13.572 -7.760 -7.760 248 H LEU 25 HN LEU 25 -8.406 -4.188 -4.188 249 HA LEU 25 HA LEU 25 -8.705 -1.240 -1.240 250 1HB LEU 25 HB2 LEU 25 -6.118 -2.758 -2.758 251 2HB LEU 25 HB1 LEU 25 -6.433 -1.056 -1.056 252 HG LEU 25 HG LEU 25 -6.446 -2.045 -2.045 253 1HD1 LEU 25 HD12 LEU 25 -9.319 -1.910 -1.910 254 2HD1 LEU 25 HD11 LEU 25 -8.844 -2.043 -2.043 255 3HD1 LEU 25 HD13 LEU 25 -8.376 -0.629 -0.629 256 1HD2 LEU 25 HD22 LEU 25 -6.891 -4.414 -4.414 257 2HD2 LEU 25 HD21 LEU 25 -6.965 -4.206 -4.206 258 3HD2 LEU 25 HD23 LEU 25 -8.448 -4.167 -4.167 259 H LYS 26 HN LYS 26 -7.142 -0.120 -0.120 260 HA LYS 26 HA LYS 26 -6.896 -1.808 -1.808 261 1HB LYS 26 HB2 LYS 26 -7.363 1.114 1.114 262 2HB LYS 26 HB1 LYS 26 -6.480 0.644 0.644 263 1HG LYS 26 HG2 LYS 26 -8.713 0.630 0.630 264 2HG LYS 26 HG1 LYS 26 -8.413 -1.065 -1.065 265 1HD LYS 26 HD2 LYS 26 -10.255 -0.934 -0.934 266 2HD LYS 26 HD1 LYS 26 -9.239 -0.030 -0.030 267 1HE LYS 26 HE2 LYS 26 -11.168 1.329 1.329 268 2HE LYS 26 HE1 LYS 26 -9.877 2.062 2.062 269 1HZ LYS 26 HZ1 LYS 26 -10.771 0.511 0.511 270 2HZ LYS 26 HZ3 LYS 26 -12.184 0.478 0.478 271 3HZ LYS 26 HZ2 LYS 26 -11.596 1.957 1.957 272 H VAL 27 HN VAL 27 -4.865 -2.763 -2.763 273 HA VAL 27 HA VAL 27 -2.638 -1.455 -1.455 274 HB VAL 27 HB VAL 27 -2.416 -3.606 -3.606 275 1HG1 VAL 27 HG11 VAL 27 -0.442 -2.260 -2.260 276 2HG1 VAL 27 HG13 VAL 27 -0.764 -3.402 -3.402 277 3HG1 VAL 27 HG12 VAL 27 -0.319 -3.993 -3.993 278 1HG2 VAL 27 HG23 VAL 27 -3.892 -3.717 -3.717 279 2HG2 VAL 27 HG22 VAL 27 -3.501 -5.051 -5.051 280 3HG2 VAL 27 HG21 VAL 27 -2.409 -4.645 -4.645 281 H LEU 28 HN LEU 28 -1.862 0.425 0.425 282 HA LEU 28 HA LEU 28 -1.783 1.080 1.080 283 1HB LEU 28 HB2 LEU 28 -0.381 2.724 2.724 284 2HB LEU 28 HB1 LEU 28 -1.177 3.260 3.260 285 HG LEU 28 HG LEU 28 -3.138 2.021 2.021 286 1HD1 LEU 28 HD11 LEU 28 -1.451 4.188 4.188 287 2HD1 LEU 28 HD13 LEU 28 -3.022 3.667 3.667 288 3HD1 LEU 28 HD12 LEU 28 -1.665 2.543 2.543 289 1HD2 LEU 28 HD23 LEU 28 -2.614 4.665 4.665 290 2HD2 LEU 28 HD22 LEU 28 -4.003 3.592 3.592 291 3HD2 LEU 28 HD21 LEU 28 -3.836 4.597 4.597 292 H ASN 29 HN ASN 29 0.376 0.129 0.129 293 HA ASN 29 HA ASN 29 2.470 -0.393 -0.393 294 1HB ASN 29 HB2 ASN 29 2.998 1.175 1.175 295 2HB ASN 29 HB1 ASN 29 4.223 0.642 0.642 296 1HD2 ASN 29 HD22 ASN 29 3.743 3.420 3.420 297 2HD2 ASN 29 HD21 ASN 29 4.741 2.144 2.144 298 H GLU 30 HN GLU 30 3.792 -2.138 -2.138 299 HA GLU 30 HA GLU 30 3.199 -3.560 -3.560 300 1HB GLU 30 HB2 GLU 30 3.942 -4.741 -4.741 301 2HB GLU 30 HB1 GLU 30 3.667 -5.666 -5.666 302 1HG GLU 30 HG2 GLU 30 1.362 -5.031 -5.031 303 2HG GLU 30 HG1 GLU 30 1.588 -3.820 -3.820 304 H GLU 31 HN GLU 31 5.080 -1.757 -1.757 305 HA GLU 31 HA GLU 31 7.738 -2.503 -2.503 306 1HB GLU 31 HB2 GLU 31 6.726 -0.800 -0.800 307 2HB GLU 31 HB1 GLU 31 8.434 -0.972 -0.972 308 1HG GLU 31 HG2 GLU 31 8.232 0.224 0.224 309 2HG GLU 31 HG1 GLU 31 6.542 -0.230 -0.230 310 H CYS 32 HN CYS 32 9.449 -3.263 -3.263 311 HA CYS 32 HA CYS 32 8.678 -5.735 -5.735 312 1HB CYS 32 HB2 CYS 32 10.928 -5.671 -5.671 313 2HB CYS 32 HB1 CYS 32 10.983 -5.407 -5.407 314 HG CYS 32 HG CYS 32 12.426 -3.554 -3.554 315 H ASP 33 HN ASP 33 8.614 -6.272 -6.272 316 HA ASP 33 HA ASP 33 8.710 -4.450 -4.450 317 1HB ASP 33 HB2 ASP 33 6.595 -3.791 -3.791 318 2HB ASP 33 HB1 ASP 33 5.917 -5.232 -5.232 319 H GLN 34 HN GLN 34 7.616 -5.437 -5.437 320 HA GLN 34 HA GLN 34 8.315 -8.246 -8.246 321 1HB GLN 34 HB2 GLN 34 8.095 -6.209 -6.209 322 2HB GLN 34 HB1 GLN 34 7.678 -7.851 -7.851 323 1HG GLN 34 HG2 GLN 34 9.969 -7.862 -7.862 324 2HG GLN 34 HG1 GLN 34 9.914 -8.463 -8.463 325 1HE2 GLN 34 HE22 GLN 34 12.294 -5.874 -5.874 326 2HE2 GLN 34 HE21 GLN 34 12.099 -7.543 -7.543 327 H ASN 35 HN ASN 35 5.556 -6.300 -6.300 328 HA ASN 35 HA ASN 35 3.700 -8.476 -8.476 329 1HB ASN 35 HB2 ASN 35 4.236 -7.600 -7.600 330 2HB ASN 35 HB1 ASN 35 2.581 -7.952 -7.952 331 1HD2 ASN 35 HD22 ASN 35 4.755 -11.049 -11.049 332 2HD2 ASN 35 HD21 ASN 35 4.915 -9.465 -9.465 333 H TRP 36 HN TRP 36 4.253 -5.717 -5.717 334 HA TRP 36 HA TRP 36 1.492 -4.662 -4.662 335 1HB TRP 36 HB2 TRP 36 3.867 -2.822 -2.822 336 2HB TRP 36 HB1 TRP 36 2.161 -2.385 -2.385 337 HD1 TRP 36 HD1 TRP 36 4.647 -4.786 -4.786 338 HE1 TRP 36 HE1 TRP 36 4.020 -4.818 -4.818 339 HE3 TRP 36 HE3 TRP 36 0.449 -1.782 -1.782 340 HZ2 TRP 36 HZ2 TRP 36 2.091 -3.725 -3.725 341 HZ3 TRP 36 HZ3 TRP 36 -0.699 -1.288 -1.288 342 HH2 TRP 36 HH2 TRP 36 0.100 -2.260 -2.260 343 H TYR 37 HN TYR 37 1.098 -2.908 -2.908 344 HA TYR 37 HA TYR 37 2.865 -2.973 -2.973 345 1HB TYR 37 HB2 TYR 37 -0.137 -3.522 -3.522 346 2HB TYR 37 HB1 TYR 37 0.893 -3.346 -3.346 347 HD1 TYR 37 HD1 TYR 37 3.277 -4.994 -4.994 348 HD2 TYR 37 HD2 TYR 37 -0.964 -5.663 -5.663 349 HE1 TYR 37 HE1 TYR 37 3.658 -7.449 -7.449 350 HE2 TYR 37 HE2 TYR 37 -0.610 -8.104 -8.104 351 HH TYR 37 HH TYR 37 1.359 -9.652 -9.652 352 H LYS 38 HN LYS 38 1.240 -1.489 -1.489 353 HA LYS 38 HA LYS 38 0.425 0.931 0.931 354 1HB LYS 38 HB2 LYS 38 2.526 1.248 1.248 355 2HB LYS 38 HB1 LYS 38 1.526 0.931 0.931 356 1HG LYS 38 HG2 LYS 38 -0.039 2.747 2.747 357 2HG LYS 38 HG1 LYS 38 1.506 3.264 3.264 358 1HD LYS 38 HD2 LYS 38 1.954 2.756 2.756 359 2HD LYS 38 HD1 LYS 38 0.463 3.686 3.686 360 1HE LYS 38 HE2 LYS 38 1.738 5.231 5.231 361 2HE LYS 38 HE1 LYS 38 3.199 4.430 4.430 362 1HZ LYS 38 HZ1 LYS 38 1.211 5.620 5.620 363 2HZ LYS 38 HZ3 LYS 38 2.497 6.521 6.521 364 3HZ LYS 38 HZ2 LYS 38 2.814 5.165 5.165 365 H ALA 39 HN ALA 39 -1.681 1.602 1.602 366 HA ALA 39 HA ALA 39 -2.985 0.853 0.853 367 1HB ALA 39 HB2 ALA 39 -2.974 -1.297 -1.297 368 2HB ALA 39 HB1 ALA 39 -3.963 -0.492 -0.492 369 3HB ALA 39 HB3 ALA 39 -4.593 -0.704 -0.704 370 H GLU 40 HN GLU 40 -5.507 1.073 1.073 371 HA GLU 40 HA GLU 40 -5.963 3.294 3.294 372 1HB GLU 40 HB2 GLU 40 -5.461 4.873 4.873 373 2HB GLU 40 HB1 GLU 40 -4.994 3.670 3.670 374 1HG GLU 40 HG2 GLU 40 -7.531 3.617 3.617 375 2HG GLU 40 HG1 GLU 40 -7.641 5.113 5.113 376 H LEU 41 HN LEU 41 -7.927 3.586 3.586 377 HA LEU 41 HA LEU 41 -10.029 1.845 1.845 378 1HB LEU 41 HB2 LEU 41 -9.636 3.114 3.114 379 2HB LEU 41 HB1 LEU 41 -11.303 2.869 2.869 380 HG LEU 41 HG LEU 41 -9.278 0.695 0.695 381 1HD1 LEU 41 HD11 LEU 41 -10.703 1.689 1.689 382 2HD1 LEU 41 HD13 LEU 41 -10.564 -0.056 -0.056 383 3HD1 LEU 41 HD12 LEU 41 -9.111 0.941 0.941 384 1HD2 LEU 41 HD23 LEU 41 -11.549 0.730 0.730 385 2HD2 LEU 41 HD22 LEU 41 -11.217 -0.687 -0.687 386 3HD2 LEU 41 HD21 LEU 41 -12.260 0.600 0.600 387 H ASN 42 HN ASN 42 -10.665 2.752 2.752 388 HA ASN 42 HA ASN 42 -11.685 4.318 4.318 389 1HB ASN 42 HB2 ASN 42 -13.263 3.940 3.940 390 2HB ASN 42 HB1 ASN 42 -13.796 5.203 5.203 391 1HD2 ASN 42 HD22 ASN 42 -14.091 1.273 1.273 392 2HD2 ASN 42 HD21 ASN 42 -13.199 1.704 1.704 393 H GLY 43 HN GLY 43 -9.645 5.695 5.695 394 1HA GLY 43 HA2 GLY 43 -9.680 8.289 8.289 395 2HA GLY 43 HA1 GLY 43 -10.879 8.324 8.324 396 H LYS 44 HN LYS 44 -9.724 6.563 6.563 397 HA LYS 44 HA LYS 44 -7.570 8.159 8.159 398 1HB LYS 44 HB2 LYS 44 -9.215 5.893 5.893 399 2HB LYS 44 HB1 LYS 44 -7.608 6.173 6.173 400 1HG LYS 44 HG2 LYS 44 -8.126 8.312 8.312 401 2HG LYS 44 HG1 LYS 44 -9.516 8.456 8.456 402 1HD LYS 44 HD2 LYS 44 -10.300 8.099 8.099 403 2HD LYS 44 HD1 LYS 44 -10.686 6.688 6.688 404 1HE LYS 44 HE2 LYS 44 -8.454 5.716 5.716 405 2HE LYS 44 HE1 LYS 44 -8.471 6.995 6.995 406 1HZ LYS 44 HZ2 LYS 44 -10.863 5.326 5.326 407 2HZ LYS 44 HZ1 LYS 44 -9.543 4.701 4.701 408 3HZ LYS 44 HZ3 LYS 44 -10.302 6.120 6.120 409 H ASP 45 HN ASP 45 -5.586 7.127 7.127 410 HA ASP 45 HA ASP 45 -4.922 4.784 4.784 411 1HB ASP 45 HB2 ASP 45 -3.229 7.217 7.217 412 2HB ASP 45 HB1 ASP 45 -3.259 5.809 5.809 413 H GLY 46 HN GLY 46 -2.389 4.385 4.385 414 1HA GLY 46 HA2 GLY 46 -0.529 4.989 4.989 415 2HA GLY 46 HA1 GLY 46 -1.739 4.970 4.970 416 H PHE 47 HN PHE 47 0.300 3.530 3.530 417 HA PHE 47 HA PHE 47 0.782 0.997 0.997 418 1HB PHE 47 HB2 PHE 47 0.912 2.165 2.165 419 2HB PHE 47 HB1 PHE 47 1.243 0.454 0.454 420 HD1 PHE 47 HD2 PHE 47 2.078 2.986 2.986 421 HD2 PHE 47 HD1 PHE 47 3.577 0.609 0.609 422 HE1 PHE 47 HE2 PHE 47 4.401 3.517 3.517 423 HE2 PHE 47 HE1 PHE 47 5.898 1.149 1.149 424 HZ PHE 47 HZ PHE 47 6.310 2.600 2.600 425 H ILE 48 HN ILE 48 0.121 -1.168 -1.168 426 HA ILE 48 HA ILE 48 -2.411 -1.365 -1.365 427 HB ILE 48 HB ILE 48 -3.371 -2.819 -2.819 428 1HG1 ILE 48 HG12 ILE 48 -1.838 -1.240 -1.240 429 2HG1 ILE 48 HG11 ILE 48 -0.918 -2.502 -2.502 430 1HG2 ILE 48 HG21 ILE 48 -4.186 -0.545 -0.545 431 2HG2 ILE 48 HG23 ILE 48 -3.013 0.133 0.133 432 3HG2 ILE 48 HG22 ILE 48 -4.321 -0.891 -0.891 433 1HD1 ILE 48 HD13 ILE 48 -3.627 -3.290 -3.290 434 2HD1 ILE 48 HD12 ILE 48 -2.457 -2.959 -2.959 435 3HD1 ILE 48 HD11 ILE 48 -2.111 -4.190 -4.190 436 HA PRO 49 HA PRO 49 0.413 -4.704 -4.704 437 1HB PRO 49 HB2 PRO 49 -1.146 -5.745 -5.745 438 2HB PRO 49 HB1 PRO 49 0.014 -4.413 -4.413 439 1HG PRO 49 HG2 PRO 49 -2.988 -4.300 -4.300 440 2HG PRO 49 HG1 PRO 49 -1.912 -3.244 -3.244 441 1HD PRO 49 HD2 PRO 49 -2.964 -2.524 -2.524 442 2HD PRO 49 HD1 PRO 49 -1.484 -1.868 -1.868 443 H LYS 50 HN LYS 50 0.393 -6.220 -6.220 444 HA LYS 50 HA LYS 50 -1.740 -7.430 -7.430 445 1HB LYS 50 HB2 LYS 50 0.519 -7.521 -7.521 446 2HB LYS 50 HB1 LYS 50 1.059 -8.399 -8.399 447 1HG LYS 50 HG2 LYS 50 -1.163 -9.752 -9.752 448 2HG LYS 50 HG1 LYS 50 0.230 -9.539 -9.539 449 1HD LYS 50 HD2 LYS 50 1.525 -10.317 -10.317 450 2HD LYS 50 HD1 LYS 50 -0.014 -11.160 -11.160 451 1HE LYS 50 HE2 LYS 50 0.190 -12.298 -12.298 452 2HE LYS 50 HE1 LYS 50 1.577 -11.310 -11.310 453 1HZ LYS 50 HZ1 LYS 50 1.581 -13.046 -13.046 454 2HZ LYS 50 HZ3 LYS 50 2.086 -13.598 -13.598 455 3HZ LYS 50 HZ2 LYS 50 2.910 -12.318 -12.318 456 H ASN 51 HN ASN 51 -0.642 -8.142 -8.142 457 HA ASN 51 HA ASN 51 -1.455 -10.789 -10.789 458 1HB ASN 51 HB2 ASN 51 -0.861 -8.628 -8.628 459 2HB ASN 51 HB1 ASN 51 -1.745 -9.967 -9.967 460 1HD2 ASN 51 HD22 ASN 51 1.007 -12.214 -12.214 461 2HD2 ASN 51 HD21 ASN 51 -0.673 -12.086 -12.086 462 H TYR 52 HN TYR 52 -3.156 -7.822 -7.822 463 HA TYR 52 HA TYR 52 -5.725 -9.061 -9.061 464 1HB TYR 52 HB2 TYR 52 -4.718 -6.247 -6.247 465 2HB TYR 52 HB1 TYR 52 -6.436 -6.586 -6.586 466 HD1 TYR 52 HD1 TYR 52 -3.293 -6.501 -6.501 467 HD2 TYR 52 HD2 TYR 52 -7.485 -7.257 -7.257 468 HE1 TYR 52 HE1 TYR 52 -3.273 -6.349 -6.349 469 HE2 TYR 52 HE2 TYR 52 -7.458 -7.119 -7.119 470 HH TYR 52 HH TYR 52 -5.113 -5.740 -5.740 471 H ILE 53 HN ILE 53 -4.183 -9.370 -9.370 472 HA ILE 53 HA ILE 53 -6.401 -8.708 -8.708 473 HB ILE 53 HB ILE 53 -3.735 -7.863 -7.863 474 1HG1 ILE 53 HG12 ILE 53 -5.632 -6.059 -6.059 475 2HG1 ILE 53 HG11 ILE 53 -4.142 -6.711 -6.711 476 1HG2 ILE 53 HG21 ILE 53 -6.521 -7.386 -7.386 477 2HG2 ILE 53 HG23 ILE 53 -5.376 -6.087 -6.087 478 3HG2 ILE 53 HG22 ILE 53 -5.096 -7.662 -7.662 479 1HD1 ILE 53 HD12 ILE 53 -3.510 -5.579 -5.579 480 2HD1 ILE 53 HD11 ILE 53 -4.488 -4.409 -4.409 481 3HD1 ILE 53 HD13 ILE 53 -3.000 -5.026 -5.026 482 H GLU 54 HN GLU 54 -5.958 -9.402 -9.402 483 HA GLU 54 HA GLU 54 -4.000 -11.438 -11.438 484 1HB GLU 54 HB2 GLU 54 -6.838 -11.996 -11.996 485 2HB GLU 54 HB1 GLU 54 -6.147 -12.594 -12.594 486 1HG GLU 54 HG2 GLU 54 -4.223 -13.359 -13.359 487 2HG GLU 54 HG1 GLU 54 -5.665 -13.490 -13.490 488 H MET 55 HN MET 55 -3.547 -11.666 -11.666 489 HA MET 55 HA MET 55 -4.179 -9.248 -9.248 490 1HB MET 55 HB2 MET 55 -1.910 -10.591 -10.591 491 2HB MET 55 HB1 MET 55 -2.578 -11.481 -11.481 492 1HG MET 55 HG2 MET 55 -2.708 -9.537 -9.537 493 2HG MET 55 HG1 MET 55 -2.522 -8.464 -8.464 494 1HE MET 55 HE1 MET 55 -0.779 -7.550 -7.550 495 2HE MET 55 HE3 MET 55 0.057 -8.882 -8.882 496 3HE MET 55 HE2 MET 55 0.935 -7.826 -7.826 497 H LYS 56 HN LYS 56 -6.086 -9.210 -9.210 498 HA LYS 56 HA LYS 56 -6.787 -11.554 -11.554 499 1HB LYS 56 HB2 LYS 56 -8.349 -9.702 -9.702 500 2HB LYS 56 HB1 LYS 56 -9.068 -10.315 -10.315 501 1HG LYS 56 HG2 LYS 56 -8.712 -12.592 -12.592 502 2HG LYS 56 HG1 LYS 56 -7.733 -12.055 -12.055 503 1HD LYS 56 HD2 LYS 56 -10.036 -12.726 -12.726 504 2HD LYS 56 HD1 LYS 56 -9.692 -11.037 -11.037 505 1HE LYS 56 HE2 LYS 56 -10.822 -10.424 -10.424 506 2HE LYS 56 HE1 LYS 56 -11.299 -12.114 -12.114 507 1HZ LYS 56 HZ3 LYS 56 -11.901 -10.682 -10.682 508 2HZ LYS 56 HZ2 LYS 56 -12.889 -10.433 -10.433 509 3HZ LYS 56 HZ1 LYS 56 -12.712 -11.993 -11.993 510 HA PRO 57 HA PRO 57 -6.656 -9.056 -9.056 511 1HB PRO 57 HB2 PRO 57 -8.331 -10.388 -10.388 512 2HB PRO 57 HB1 PRO 57 -6.687 -10.923 -10.923 513 1HG PRO 57 HG2 PRO 57 -9.272 -11.982 -11.982 514 2HG PRO 57 HG1 PRO 57 -7.715 -12.782 -12.782 515 1HD PRO 57 HD2 PRO 57 -8.891 -11.764 -11.764 516 2HD PRO 57 HD1 PRO 57 -7.219 -12.335 -12.335 517 H HIS 58 HN HIS 58 -8.606 -8.440 -8.440 518 HA HIS 58 HA HIS 58 -10.677 -7.039 -7.039 519 1HB HIS 58 HB2 HIS 58 -8.862 -6.091 -6.091 520 2HB HIS 58 HB1 HIS 58 -10.526 -5.844 -5.844 521 HD1 HIS 58 HD1 HIS 58 -11.914 -4.082 -4.082 522 HD2 HIS 58 HD2 HIS 58 -8.186 -4.711 -4.711 523 HE1 HIS 58 HE1 HIS 58 -11.618 -2.253 -2.253 524 HA PRO 59 HA PRO 59 -13.636 -9.424 -9.424 525 1HB PRO 59 HB2 PRO 59 -15.892 -7.928 -7.928 526 2HB PRO 59 HB1 PRO 59 -15.144 -9.000 -9.000 527 1HG PRO 59 HG2 PRO 59 -15.108 -6.022 -6.022 528 2HG PRO 59 HG1 PRO 59 -14.913 -7.086 -7.086 529 1HD PRO 59 HD2 PRO 59 -12.826 -5.752 -5.752 530 2HD PRO 59 HD1 PRO 59 -12.630 -7.014 -7.014 531 H GLU 60 HN GLU 60 -15.896 -8.478 -8.478 532 HA GLU 60 HA GLU 60 -16.619 -7.452 -7.452 533 1HB GLU 60 HB2 GLU 60 -15.570 -5.365 -5.365 534 2HB GLU 60 HB1 GLU 60 -14.185 -5.659 -5.659 535 1HG GLU 60 HG2 GLU 60 -15.359 -5.150 -5.150 536 2HG GLU 60 HG1 GLU 60 -16.905 -5.656 -5.656 537 H PHE 61 HN PHE 61 -16.409 -8.736 -8.736 538 HA PHE 61 HA PHE 61 -13.906 -8.800 -8.800 539 1HB PHE 61 HB2 PHE 61 -14.179 -10.737 -10.737 540 2HB PHE 61 HB1 PHE 61 -14.784 -11.560 -11.560 541 HD1 PHE 61 HD2 PHE 61 -11.946 -9.315 -9.315 542 HD2 PHE 61 HD1 PHE 61 -13.229 -12.628 -12.628 543 HE1 PHE 61 HE2 PHE 61 -9.617 -9.645 -9.645 544 HE2 PHE 61 HE1 PHE 61 -10.905 -12.955 -12.955 545 HZ PHE 61 HZ PHE 61 -9.098 -11.466 -11.466 546 H ILE 62 HN ILE 62 -17.126 -10.313 -10.313 547 HA ILE 62 HA ILE 62 -17.667 -9.822 -9.822 548 HB ILE 62 HB ILE 62 -18.217 -12.433 -12.433 549 1HG1 ILE 62 HG12 ILE 62 -17.005 -13.161 -13.161 550 2HG1 ILE 62 HG11 ILE 62 -16.332 -11.535 -11.535 551 1HG2 ILE 62 HG23 ILE 62 -19.215 -11.400 -11.400 552 2HG2 ILE 62 HG22 ILE 62 -19.164 -13.120 -13.120 553 3HG2 ILE 62 HG21 ILE 62 -20.171 -12.034 -12.034 554 1HD1 ILE 62 HD11 ILE 62 -16.310 -13.035 -13.035 555 2HD1 ILE 62 HD13 ILE 62 -15.323 -13.758 -13.758 556 3HD1 ILE 62 HD12 ILE 62 -15.035 -12.094 -12.094 557 H VAL 63 HN VAL 63 -19.851 -9.245 -9.245 558 HA VAL 63 HA VAL 63 -21.453 -8.685 -8.685 559 HB VAL 63 HB VAL 63 -21.735 -7.457 -7.457 560 1HG1 VAL 63 HG12 VAL 63 -22.947 -6.874 -6.874 561 2HG1 VAL 63 HG11 VAL 63 -22.966 -5.703 -5.703 562 3HG1 VAL 63 HG13 VAL 63 -23.791 -7.252 -7.252 563 1HG2 VAL 63 HG21 VAL 63 -19.540 -7.010 -7.010 564 2HG2 VAL 63 HG23 VAL 63 -20.488 -5.584 -5.584 565 3HG2 VAL 63 HG22 VAL 63 -20.509 -6.202 -6.202 566 H THR 64 HN THR 64 -23.814 -8.982 -8.982 567 HA THR 64 HA THR 64 -24.463 -11.365 -11.365 568 HB THR 64 HB THR 64 -26.615 -11.193 -11.193 569 HG1 THR 64 HG1 THR 64 -26.004 -10.253 -10.253 570 1HG2 THR 64 HG22 THR 64 -24.629 -12.867 -12.867 571 2HG2 THR 64 HG21 THR 64 -24.051 -11.929 -11.929 572 3HG2 THR 64 HG23 THR 64 -25.619 -12.733 -12.733 573 H ASP 65 HN ASP 65 -25.579 -8.061 -8.061 574 HA ASP 65 HA ASP 65 -26.988 -8.067 -8.067 575 1HB ASP 65 HB2 ASP 65 -28.284 -7.330 -7.330 576 2HB ASP 65 HB1 ASP 65 -28.986 -6.991 -6.991 577 1H SER 1 HT3 SER 1 -14.922 -16.789 -16.789 578 2H SER 1 HT2 SER 1 -15.650 -15.545 -15.545 579 3H SER 1 HT1 SER 1 -14.062 -16.033 -16.033 580 HA SER 1 HA SER 1 -13.866 -14.022 -14.022 581 1HB SER 1 HB2 SER 1 -16.307 -14.567 -14.567 582 2HB SER 1 HB1 SER 1 -15.340 -15.065 -15.065 583 HG SER 1 HG SER 1 -15.404 -12.981 -12.981 584 HA PRO 2 HA PRO 2 -10.906 -16.972 -16.972 585 1HB PRO 2 HB2 PRO 2 -8.653 -15.851 -15.851 586 2HB PRO 2 HB1 PRO 2 -9.614 -17.109 -17.109 587 1HG PRO 2 HG2 PRO 2 -9.477 -14.188 -14.188 588 2HG PRO 2 HG1 PRO 2 -9.886 -15.540 -15.540 589 1HD PRO 2 HD2 PRO 2 -11.734 -13.761 -13.761 590 2HD PRO 2 HD1 PRO 2 -12.132 -15.294 -15.294 591 H LEU 3 HN LEU 3 -8.459 -15.929 -15.929 592 HA LEU 3 HA LEU 3 -9.336 -13.688 -13.688 593 1HB LEU 3 HB2 LEU 3 -7.059 -14.620 -14.620 594 2HB LEU 3 HB1 LEU 3 -8.697 -15.034 -15.034 595 HG LEU 3 HG LEU 3 -7.268 -17.036 -17.036 596 1HD1 LEU 3 HD11 LEU 3 -9.788 -16.755 -16.755 597 2HD1 LEU 3 HD13 LEU 3 -8.876 -17.642 -17.642 598 3HD1 LEU 3 HD12 LEU 3 -8.996 -18.273 -18.273 599 1HD2 LEU 3 HD21 LEU 3 -6.157 -15.789 -15.789 600 2HD2 LEU 3 HD23 LEU 3 -5.798 -17.411 -17.411 601 3HD2 LEU 3 HD22 LEU 3 -7.020 -17.167 -17.167 602 H LEU 4 HN LEU 4 -8.221 -11.799 -11.799 603 HA LEU 4 HA LEU 4 -5.618 -11.722 -11.722 604 1HB LEU 4 HB2 LEU 4 -7.717 -9.574 -9.574 605 2HB LEU 4 HB1 LEU 4 -6.302 -9.858 -9.858 606 HG LEU 4 HG LEU 4 -8.758 -11.636 -11.636 607 1HD1 LEU 4 HD12 LEU 4 -8.998 -9.479 -9.479 608 2HD1 LEU 4 HD11 LEU 4 -7.679 -10.007 -10.007 609 3HD1 LEU 4 HD13 LEU 4 -9.193 -10.916 -10.916 610 1HD2 LEU 4 HD22 LEU 4 -6.123 -12.376 -12.376 611 2HD2 LEU 4 HD21 LEU 4 -7.581 -13.281 -13.281 612 3HD2 LEU 4 HD23 LEU 4 -6.899 -12.157 -12.157 613 HA PRO 5 HA PRO 5 -4.831 -9.455 -9.455 614 1HB PRO 5 HB2 PRO 5 -2.107 -9.216 -9.216 615 2HB PRO 5 HB1 PRO 5 -2.919 -10.686 -10.686 616 1HG PRO 5 HG2 PRO 5 -1.666 -10.133 -10.133 617 2HG PRO 5 HG1 PRO 5 -1.927 -11.685 -11.685 618 1HD PRO 5 HD2 PRO 5 -3.503 -10.614 -10.614 619 2HD PRO 5 HD1 PRO 5 -3.905 -12.022 -12.022 620 H LYS 6 HN LYS 6 -2.127 -8.019 -8.019 621 HA LYS 6 HA LYS 6 -3.612 -5.575 -5.575 622 1HB LYS 6 HB2 LYS 6 -1.625 -5.707 -5.707 623 2HB LYS 6 HB1 LYS 6 -1.892 -4.209 -4.209 624 1HG LYS 6 HG2 LYS 6 -4.469 -4.964 -4.964 625 2HG LYS 6 HG1 LYS 6 -3.661 -5.589 -5.589 626 1HD LYS 6 HD2 LYS 6 -2.677 -2.926 -2.926 627 2HD LYS 6 HD1 LYS 6 -4.437 -2.912 -2.912 628 1HE LYS 6 HE2 LYS 6 -4.432 -3.609 -3.609 629 2HE LYS 6 HE1 LYS 6 -2.845 -4.367 -4.367 630 1HZ LYS 6 HZ2 LYS 6 -3.153 -1.450 -1.450 631 2HZ LYS 6 HZ1 LYS 6 -3.041 -2.142 -2.142 632 3HZ LYS 6 HZ3 LYS 6 -1.772 -2.337 -2.337 633 H LEU 7 HN LEU 7 -2.029 -3.903 -3.903 634 HA LEU 7 HA LEU 7 0.105 -5.502 -5.502 635 1HB LEU 7 HB2 LEU 7 -1.820 -4.933 -4.933 636 2HB LEU 7 HB1 LEU 7 -1.462 -3.228 -3.228 637 HG LEU 7 HG LEU 7 0.467 -3.303 -3.303 638 1HD1 LEU 7 HD13 LEU 7 1.589 -5.161 -5.161 639 2HD1 LEU 7 HD12 LEU 7 0.659 -6.322 -6.322 640 3HD1 LEU 7 HD11 LEU 7 1.840 -5.280 -5.280 641 1HD2 LEU 7 HD21 LEU 7 -1.448 -5.412 -5.412 642 2HD2 LEU 7 HD23 LEU 7 -1.273 -3.741 -3.741 643 3HD2 LEU 7 HD22 LEU 7 -0.034 -4.930 -4.930 644 HA PRO 8 HA PRO 8 2.271 -1.632 -1.632 645 1HB PRO 8 HB2 PRO 8 3.379 -2.666 -2.666 646 2HB PRO 8 HB1 PRO 8 1.818 -1.850 -1.850 647 1HG PRO 8 HG2 PRO 8 2.449 -4.748 -4.748 648 2HG PRO 8 HG1 PRO 8 1.045 -3.853 -3.853 649 1HD PRO 8 HD2 PRO 8 1.104 -5.464 -5.464 650 2HD PRO 8 HD1 PRO 8 -0.144 -4.312 -4.312 651 HA PRO 9 HA PRO 9 6.031 -3.792 -3.792 652 1HB PRO 9 HB2 PRO 9 8.106 -2.743 -2.743 653 2HB PRO 9 HB1 PRO 9 7.312 -1.869 -1.869 654 1HG PRO 9 HG2 PRO 9 7.091 -1.416 -1.416 655 2HG PRO 9 HG1 PRO 9 6.781 -0.290 -0.290 656 1HD PRO 9 HD2 PRO 9 4.833 -1.697 -1.697 657 2HD PRO 9 HD1 PRO 9 4.532 -0.738 -0.738 658 H LYS 10 HN LYS 10 4.771 -5.583 -5.583 659 HA LYS 10 HA LYS 10 6.733 -7.223 -7.223 660 1HB LYS 10 HB2 LYS 10 6.499 -5.506 -5.506 661 2HB LYS 10 HB1 LYS 10 4.775 -5.865 -5.865 662 1HG LYS 10 HG2 LYS 10 5.404 -8.275 -8.275 663 2HG LYS 10 HG1 LYS 10 7.073 -7.729 -7.729 664 1HD LYS 10 HD2 LYS 10 6.247 -7.675 -7.675 665 2HD LYS 10 HD1 LYS 10 6.128 -5.998 -5.998 666 1HE LYS 10 HE2 LYS 10 3.737 -6.544 -6.544 667 2HE LYS 10 HE1 LYS 10 3.910 -8.046 -8.046 668 1HZ LYS 10 HZ1 LYS 10 4.607 -6.592 -6.592 669 2HZ LYS 10 HZ3 LYS 10 4.039 -5.272 -5.272 670 3HZ LYS 10 HZ2 LYS 10 2.968 -6.509 -6.509 671 H THR 11 HN THR 11 3.218 -6.415 -6.415 672 HA THR 11 HA THR 11 2.556 -9.307 -9.307 673 HB THR 11 HB THR 11 0.182 -7.724 -7.724 674 HG1 THR 11 HG1 THR 11 0.475 -6.178 -6.178 675 1HG2 THR 11 HG22 THR 11 1.525 -9.111 -9.111 676 2HG2 THR 11 HG21 THR 11 -0.161 -8.596 -8.596 677 3HG2 THR 11 HG23 THR 11 0.399 -9.852 -9.852 678 H TYR 12 HN TYR 12 -0.027 -8.859 -8.859 679 HA TYR 12 HA TYR 12 1.249 -8.194 -8.194 680 1HB TYR 12 HB2 TYR 12 0.154 -10.855 -10.855 681 2HB TYR 12 HB1 TYR 12 0.123 -10.364 -10.364 682 HD1 TYR 12 HD2 TYR 12 2.428 -9.160 -9.160 683 HD2 TYR 12 HD1 TYR 12 2.039 -12.031 -12.031 684 HE1 TYR 12 HE2 TYR 12 4.836 -9.715 -9.715 685 HE2 TYR 12 HE1 TYR 12 4.447 -12.586 -12.586 686 HH TYR 12 HH TYR 12 6.575 -11.229 -11.229 687 H LYS 13 HN LYS 13 -1.945 -8.546 -8.546 688 HA LYS 13 HA LYS 13 -3.080 -7.233 -7.233 689 1HB LYS 13 HB2 LYS 13 -4.141 -9.625 -9.625 690 2HB LYS 13 HB1 LYS 13 -5.205 -8.609 -8.609 691 1HG LYS 13 HG2 LYS 13 -3.672 -8.881 -8.881 692 2HG LYS 13 HG1 LYS 13 -2.678 -9.970 -9.970 693 1HD LYS 13 HD2 LYS 13 -5.538 -10.678 -10.678 694 2HD LYS 13 HD1 LYS 13 -4.783 -10.759 -10.759 695 1HE LYS 13 HE2 LYS 13 -2.859 -11.964 -11.964 696 2HE LYS 13 HE1 LYS 13 -4.273 -12.406 -12.406 697 1HZ LYS 13 HZ3 LYS 13 -5.315 -13.203 -13.203 698 2HZ LYS 13 HZ2 LYS 13 -3.869 -12.885 -12.885 699 3HZ LYS 13 HZ1 LYS 13 -3.906 -14.058 -14.058 700 H ARG 14 HN ARG 14 -5.588 -7.898 -7.898 701 HA ARG 14 HA ARG 14 -5.379 -5.583 -5.583 702 1HB ARG 14 HB2 ARG 14 -7.007 -4.107 -4.107 703 2HB ARG 14 HB1 ARG 14 -5.517 -4.310 -4.310 704 1HG ARG 14 HG2 ARG 14 -6.865 -4.875 -4.875 705 2HG ARG 14 HG1 ARG 14 -7.047 -6.423 -6.423 706 1HD ARG 14 HD2 ARG 14 -9.274 -5.738 -5.738 707 2HD ARG 14 HD1 ARG 14 -8.948 -5.232 -5.232 708 HE ARG 14 HE ARG 14 -8.541 -3.260 -3.260 709 1HH1 ARG 14 HH11 ARG 14 -8.924 -3.339 -3.339 710 2HH1 ARG 14 HH12 ARG 14 -10.331 -2.333 -2.333 711 1HH2 ARG 14 HH21 ARG 14 -10.937 -2.431 -2.431 712 2HH2 ARG 14 HH22 ARG 14 -11.471 -1.819 -1.819 713 H GLU 15 HN GLU 15 -7.655 -4.925 -4.925 714 HA GLU 15 HA GLU 15 -9.641 -5.597 -5.597 715 1HB GLU 15 HB2 GLU 15 -9.677 -6.947 -6.947 716 2HB GLU 15 HB1 GLU 15 -10.678 -7.724 -7.724 717 1HG GLU 15 HG2 GLU 15 -11.871 -5.654 -5.654 718 2HG GLU 15 HG1 GLU 15 -10.785 -4.766 -4.766 Start of MODEL 14 1 1H GLY -8 HT3 GLY -8 13.411 -5.318 -5.318 2 2H GLY -8 HT2 GLY -8 12.593 -4.621 -4.621 3 3H GLY -8 HT1 GLY -8 14.291 -4.593 -4.593 4 1HA GLY -8 HA1 GLY -8 14.106 -3.066 -3.066 5 2HA GLY -8 HA2 GLY -8 13.249 -2.316 -2.316 6 H SER -7 HN SER -7 12.188 -1.173 -1.173 7 HA SER -7 HA SER -7 11.655 -2.535 -2.535 8 1HB SER -7 HB2 SER -7 11.659 0.373 0.373 9 2HB SER -7 HB1 SER -7 11.052 -0.170 -0.170 10 HG SER -7 HG SER -7 13.518 0.364 0.364 11 H ARG -6 HN ARG -6 9.454 -1.427 -1.427 12 HA ARG -6 HA ARG -6 7.351 -2.217 -2.217 13 1HB ARG -6 HB2 ARG -6 7.574 -2.148 -2.148 14 2HB ARG -6 HB1 ARG -6 5.972 -1.888 -1.888 15 1HG ARG -6 HG2 ARG -6 6.260 -3.980 -3.980 16 2HG ARG -6 HG1 ARG -6 7.793 -4.259 -4.259 17 1HD ARG -6 HD2 ARG -6 6.771 -4.722 -4.722 18 2HD ARG -6 HD1 ARG -6 5.339 -3.769 -3.769 19 HE ARG -6 HE ARG -6 5.896 -6.491 -6.491 20 1HH1 ARG -6 HH11 ARG -6 4.042 -4.865 -4.865 21 2HH1 ARG -6 HH12 ARG -6 2.494 -5.257 -5.257 22 1HH2 ARG -6 HH21 ARG -6 3.800 -6.570 -6.570 23 2HH2 ARG -6 HH22 ARG -6 2.356 -6.223 -6.223 24 H ARG -5 HN ARG -5 7.927 -0.013 -0.013 25 HA ARG -5 HA ARG -5 7.045 2.402 2.402 26 1HB ARG -5 HB2 ARG -5 7.909 1.692 1.692 27 2HB ARG -5 HB1 ARG -5 7.071 3.220 3.220 28 1HG ARG -5 HG2 ARG -5 8.744 4.019 4.019 29 2HG ARG -5 HG1 ARG -5 9.410 2.406 2.406 30 1HD ARG -5 HD2 ARG -5 9.869 2.464 2.464 31 2HD ARG -5 HD1 ARG -5 9.700 4.210 4.210 32 HE ARG -5 HE ARG -5 11.483 3.574 3.574 33 1HH1 ARG -5 HH21 ARG -5 11.713 4.431 4.431 34 2HH1 ARG -5 HH22 ARG -5 13.207 3.624 3.624 35 1HH2 ARG -5 HH11 ARG -5 13.224 1.835 1.835 36 2HH2 ARG -5 HH12 ARG -5 14.062 2.154 2.154 37 H ALA -4 HN ALA -4 5.556 0.023 0.023 38 HA ALA -4 HA ALA -4 2.989 1.555 1.555 39 1HB ALA -4 HB2 ALA -4 4.255 0.028 0.028 40 2HB ALA -4 HB1 ALA -4 2.501 -0.054 -0.054 41 3HB ALA -4 HB3 ALA -4 3.294 1.506 1.506 42 H SER -3 HN SER -3 1.166 -0.323 -0.323 43 HA SER -3 HA SER -3 -0.028 -2.151 -2.151 44 1HB SER -3 HB2 SER -3 2.225 -3.252 -3.252 45 2HB SER -3 HB1 SER -3 2.536 -3.437 -3.437 46 HG SER -3 HG SER -3 0.886 -4.835 -4.835 47 H VAL -2 HN VAL -2 0.648 0.124 0.124 48 HA VAL -2 HA VAL -2 1.302 -0.920 -0.920 49 HB VAL -2 HB VAL -2 0.570 1.356 1.356 50 1HG1 VAL -2 HG13 VAL -2 2.869 0.688 0.688 51 2HG1 VAL -2 HG12 VAL -2 2.307 1.767 1.767 52 3HG1 VAL -2 HG11 VAL -2 2.510 2.375 2.375 53 1HG2 VAL -2 HG22 VAL -2 -1.120 1.458 1.458 54 2HG2 VAL -2 HG21 VAL -2 -0.318 2.941 2.941 55 3HG2 VAL -2 HG23 VAL -2 0.262 2.076 2.076 56 H GLY -1 HN GLY -1 -0.275 -0.821 -0.821 57 1HA GLY -1 HA2 GLY -1 -3.019 -0.488 -0.488 58 2HA GLY -1 HA1 GLY -1 -2.766 -2.126 -2.126 59 H SER 0 HN SER 0 -3.816 -0.830 -0.830 60 HA SER 0 HA SER 0 -2.036 -2.232 -2.232 61 1HB SER 0 HB2 SER 0 -3.942 -1.124 -1.124 62 2HB SER 0 HB1 SER 0 -2.505 -0.245 -0.245 63 HG SER 0 HG SER 0 -4.605 0.795 0.795 64 H MET 1 HN MET 1 -3.167 -3.538 -3.538 65 HA MET 1 HA MET 1 -5.462 -5.041 -5.041 66 1HB MET 1 HB2 MET 1 -3.036 -5.908 -5.908 67 2HB MET 1 HB1 MET 1 -4.537 -6.805 -6.805 68 1HG MET 1 HG2 MET 1 -3.416 -7.883 -7.883 69 2HG MET 1 HG1 MET 1 -4.747 -6.964 -6.964 70 1HE MET 1 HE2 MET 1 -4.457 -6.568 -6.568 71 2HE MET 1 HE1 MET 1 -3.495 -5.271 -5.271 72 3HE MET 1 HE3 MET 1 -2.911 -6.941 -6.941 73 H GLU 2 HN GLU 2 -6.439 -6.388 -6.388 74 HA GLU 2 HA GLU 2 -7.006 -4.285 -4.285 75 1HB GLU 2 HB2 GLU 2 -8.749 -5.735 -5.735 76 2HB GLU 2 HB1 GLU 2 -9.077 -6.231 -6.231 77 1HG GLU 2 HG2 GLU 2 -8.895 -3.552 -3.552 78 2HG GLU 2 HG1 GLU 2 -9.499 -3.599 -3.599 79 H ALA 3 HN ALA 3 -7.830 -5.476 -5.476 80 HA ALA 3 HA ALA 3 -6.783 -8.161 -8.161 81 1HB ALA 3 HB3 ALA 3 -5.505 -5.750 -5.750 82 2HB ALA 3 HB2 ALA 3 -5.393 -7.337 -7.337 83 3HB ALA 3 HB1 ALA 3 -4.756 -7.093 -7.093 84 H ILE 4 HN ILE 4 -8.242 -9.130 -9.130 85 HA ILE 4 HA ILE 4 -10.355 -7.850 -7.850 86 HB ILE 4 HB ILE 4 -10.617 -10.032 -10.032 87 1HG1 ILE 4 HG12 ILE 4 -10.707 -10.914 -10.914 88 2HG1 ILE 4 HG11 ILE 4 -11.401 -9.308 -9.308 89 1HG2 ILE 4 HG23 ILE 4 -8.070 -10.502 -10.502 90 2HG2 ILE 4 HG22 ILE 4 -9.220 -11.723 -11.723 91 3HG2 ILE 4 HG21 ILE 4 -8.934 -11.486 -11.486 92 1HD1 ILE 4 HD11 ILE 4 -12.082 -11.656 -11.656 93 2HD1 ILE 4 HD13 ILE 4 -12.996 -11.229 -11.229 94 3HD1 ILE 4 HD12 ILE 4 -12.901 -10.099 -10.099 95 H ALA 5 HN ALA 5 -10.302 -6.857 -6.857 96 HA ALA 5 HA ALA 5 -8.129 -7.179 -7.179 97 1HB ALA 5 HB3 ALA 5 -10.838 -5.795 -5.795 98 2HB ALA 5 HB2 ALA 5 -9.591 -5.743 -5.743 99 3HB ALA 5 HB1 ALA 5 -9.287 -5.017 -5.017 100 H LYS 6 HN LYS 6 -8.113 -9.212 -9.212 101 HA LYS 6 HA LYS 6 -10.350 -10.916 -10.916 102 1HB LYS 6 HB2 LYS 6 -7.758 -10.881 -10.881 103 2HB LYS 6 HB1 LYS 6 -8.888 -12.235 -12.235 104 1HG LYS 6 HG2 LYS 6 -8.402 -12.647 -12.647 105 2HG LYS 6 HG1 LYS 6 -7.804 -11.012 -11.012 106 1HD LYS 6 HD2 LYS 6 -5.921 -12.535 -12.535 107 2HD LYS 6 HD1 LYS 6 -5.859 -11.523 -11.523 108 1HE LYS 6 HE2 LYS 6 -7.003 -13.358 -13.358 109 2HE LYS 6 HE1 LYS 6 -6.899 -14.368 -14.368 110 1HZ LYS 6 HZ3 LYS 6 -4.413 -13.786 -13.786 111 2HZ LYS 6 HZ2 LYS 6 -4.723 -13.362 -13.362 112 3HZ LYS 6 HZ1 LYS 6 -5.016 -14.947 -14.947 113 H TYR 7 HN TYR 7 -9.131 -8.334 -8.334 114 HA TYR 7 HA TYR 7 -11.476 -8.664 -8.664 115 1HB TYR 7 HB2 TYR 7 -8.779 -8.440 -8.440 116 2HB TYR 7 HB1 TYR 7 -10.304 -8.902 -8.902 117 HD1 TYR 7 HD1 TYR 7 -11.234 -11.166 -11.166 118 HD2 TYR 7 HD2 TYR 7 -7.444 -9.995 -9.995 119 HE1 TYR 7 HE1 TYR 7 -10.683 -13.550 -13.550 120 HE2 TYR 7 HE2 TYR 7 -6.876 -12.356 -12.356 121 HH TYR 7 HH TYR 7 -7.981 -14.777 -14.777 122 H ASP 8 HN ASP 8 -11.040 -6.939 -6.939 123 HA ASP 8 HA ASP 8 -10.961 -4.407 -4.407 124 1HB ASP 8 HB2 ASP 8 -11.982 -3.479 -3.479 125 2HB ASP 8 HB1 ASP 8 -12.742 -5.038 -5.038 126 H PHE 9 HN PHE 9 -9.858 -2.513 -2.513 127 HA PHE 9 HA PHE 9 -7.680 -2.747 -2.747 128 1HB PHE 9 HB2 PHE 9 -7.070 -3.982 -3.982 129 2HB PHE 9 HB1 PHE 9 -6.297 -2.403 -2.403 130 HD1 PHE 9 HD1 PHE 9 -6.910 -4.688 -4.688 131 HD2 PHE 9 HD2 PHE 9 -4.027 -2.663 -2.663 132 HE1 PHE 9 HE1 PHE 9 -5.085 -5.484 -5.484 133 HE2 PHE 9 HE2 PHE 9 -2.204 -3.450 -3.450 134 HZ PHE 9 HZ PHE 9 -2.733 -4.862 -4.862 135 H LYS 10 HN LYS 10 -6.086 -0.777 -0.777 136 HA LYS 10 HA LYS 10 -7.420 1.450 1.450 137 1HB LYS 10 HB2 LYS 10 -7.647 1.115 1.115 138 2HB LYS 10 HB1 LYS 10 -6.488 2.420 2.420 139 1HG LYS 10 HG2 LYS 10 -8.040 3.749 3.749 140 2HG LYS 10 HG1 LYS 10 -9.086 2.374 2.374 141 1HD LYS 10 HD2 LYS 10 -10.148 3.663 3.663 142 2HD LYS 10 HD1 LYS 10 -9.539 2.175 2.175 143 1HE LYS 10 HE2 LYS 10 -7.730 3.271 3.271 144 2HE LYS 10 HE1 LYS 10 -7.850 4.668 4.668 145 1HZ LYS 10 HZ3 LYS 10 -9.990 5.197 5.197 146 2HZ LYS 10 HZ2 LYS 10 -9.808 3.886 3.886 147 3HZ LYS 10 HZ1 LYS 10 -8.731 5.199 5.199 148 H ALA 11 HN ALA 11 -6.037 3.407 3.407 149 HA ALA 11 HA ALA 11 -3.429 2.643 2.643 150 1HB ALA 11 HB3 ALA 11 -5.010 4.759 4.759 151 2HB ALA 11 HB2 ALA 11 -3.921 5.503 5.503 152 3HB ALA 11 HB1 ALA 11 -3.268 4.765 4.765 153 H THR 12 HN THR 12 -1.494 2.722 2.722 154 HA THR 12 HA THR 12 -1.645 3.721 3.721 155 HB THR 12 HB THR 12 0.353 2.046 2.046 156 HG1 THR 12 HG1 THR 12 0.746 1.012 1.012 157 1HG2 THR 12 HG22 THR 12 -2.500 1.112 1.112 158 2HG2 THR 12 HG21 THR 12 -1.255 0.227 0.227 159 3HG2 THR 12 HG23 THR 12 -1.829 1.782 1.782 160 H ALA 13 HN ALA 13 -1.012 5.406 5.406 161 HA ALA 13 HA ALA 13 1.369 6.682 6.682 162 1HB ALA 13 HB1 ALA 13 1.701 4.797 4.797 163 2HB ALA 13 HB3 ALA 13 2.731 6.219 6.219 164 3HB ALA 13 HB2 ALA 13 2.720 4.956 4.956 165 H ASP 14 HN ASP 14 2.146 8.254 8.254 166 HA ASP 14 HA ASP 14 -0.161 9.708 9.708 167 1HB ASP 14 HB2 ASP 14 2.115 10.479 10.479 168 2HB ASP 14 HB1 ASP 14 2.664 10.336 10.336 169 H ASP 15 HN ASP 15 1.570 7.161 7.161 170 HA ASP 15 HA ASP 15 0.661 7.895 7.895 171 1HB ASP 15 HB2 ASP 15 3.154 8.213 8.213 172 2HB ASP 15 HB1 ASP 15 3.248 6.465 6.465 173 H GLU 16 HN GLU 16 -0.420 6.125 6.125 174 HA GLU 16 HA GLU 16 -0.184 3.481 3.481 175 1HB GLU 16 HB2 GLU 16 0.203 3.883 3.883 176 2HB GLU 16 HB1 GLU 16 -1.549 3.958 3.958 177 1HG GLU 16 HG2 GLU 16 -1.737 1.727 1.727 178 2HG GLU 16 HG1 GLU 16 -0.720 1.700 1.700 179 H LEU 17 HN LEU 17 -2.422 2.254 2.254 180 HA LEU 17 HA LEU 17 -4.581 4.146 4.146 181 1HB LEU 17 HB2 LEU 17 -3.614 3.226 3.226 182 2HB LEU 17 HB1 LEU 17 -3.770 1.598 1.598 183 HG LEU 17 HG LEU 17 -6.251 1.922 1.922 184 1HD1 LEU 17 HD11 LEU 17 -5.409 4.615 4.615 185 2HD1 LEU 17 HD13 LEU 17 -6.770 3.944 3.944 186 3HD1 LEU 17 HD12 LEU 17 -6.862 4.114 4.114 187 1HD2 LEU 17 HD21 LEU 17 -5.009 0.860 0.860 188 2HD2 LEU 17 HD23 LEU 17 -6.571 1.567 1.567 189 3HD2 LEU 17 HD22 LEU 17 -5.083 2.429 2.429 190 H SER 18 HN SER 18 -6.641 3.633 3.633 191 HA SER 18 HA SER 18 -6.895 1.463 1.463 192 1HB SER 18 HB2 SER 18 -8.938 3.476 3.476 193 2HB SER 18 HB1 SER 18 -8.536 2.708 2.708 194 HG SER 18 HG SER 18 -7.701 5.039 5.039 195 H PHE 19 HN PHE 19 -9.003 0.273 0.273 196 HA PHE 19 HA PHE 19 -10.779 0.248 0.248 197 1HB PHE 19 HB2 PHE 19 -10.039 -1.838 -1.838 198 2HB PHE 19 HB1 PHE 19 -8.833 -0.562 -0.562 199 HD1 PHE 19 HD1 PHE 19 -9.741 -3.624 -3.624 200 HD2 PHE 19 HD2 PHE 19 -6.644 -0.811 -0.811 201 HE1 PHE 19 HE1 PHE 19 -8.058 -5.106 -5.106 202 HE2 PHE 19 HE2 PHE 19 -4.963 -2.289 -2.289 203 HZ PHE 19 HZ PHE 19 -5.670 -4.437 -4.437 204 H LYS 20 HN LYS 20 -12.162 -1.823 -1.823 205 HA LYS 20 HA LYS 20 -12.186 -2.912 -2.912 206 1HB LYS 20 HB2 LYS 20 -14.538 -2.402 -2.402 207 2HB LYS 20 HB1 LYS 20 -14.615 -2.993 -2.993 208 1HG LYS 20 HG2 LYS 20 -13.325 -0.381 -0.381 209 2HG LYS 20 HG1 LYS 20 -15.016 -0.510 -0.510 210 1HD LYS 20 HD2 LYS 20 -13.448 -1.925 -1.925 211 2HD LYS 20 HD1 LYS 20 -12.718 -0.338 -0.338 212 1HE LYS 20 HE2 LYS 20 -14.378 -0.112 -0.112 213 2HE LYS 20 HE1 LYS 20 -15.014 0.673 0.673 214 1HZ LYS 20 HZ1 LYS 20 -16.245 -1.353 -1.353 215 2HZ LYS 20 HZ3 LYS 20 -15.658 -2.079 -2.079 216 3HZ LYS 20 HZ2 LYS 20 -16.684 -0.728 -0.728 217 H ARG 21 HN ARG 21 -13.706 -4.956 -4.956 218 HA ARG 21 HA ARG 21 -12.416 -6.957 -6.957 219 1HB ARG 21 HB2 ARG 21 -13.415 -7.254 -7.254 220 2HB ARG 21 HB1 ARG 21 -15.008 -7.201 -7.201 221 1HG ARG 21 HG2 ARG 21 -14.756 -9.270 -9.270 222 2HG ARG 21 HG1 ARG 21 -13.013 -9.074 -9.074 223 1HD ARG 21 HD2 ARG 21 -12.720 -10.347 -10.347 224 2HD ARG 21 HD1 ARG 21 -13.438 -9.048 -9.048 225 HE ARG 21 HE ARG 21 -15.475 -10.283 -10.283 226 1HH1 ARG 21 HH11 ARG 21 -16.065 -11.141 -11.141 227 2HH1 ARG 21 HH12 ARG 21 -15.674 -12.828 -12.828 228 1HH2 ARG 21 HH21 ARG 21 -13.713 -12.686 -12.686 229 2HH2 ARG 21 HH22 ARG 21 -14.342 -13.702 -13.702 230 H GLY 22 HN GLY 22 -12.814 -7.067 -7.067 231 1HA GLY 22 HA2 GLY 22 -14.379 -7.844 -7.844 232 2HA GLY 22 HA1 GLY 22 -15.666 -6.983 -6.983 233 H ASP 23 HN ASP 23 -12.908 -5.043 -5.043 234 HA ASP 23 HA ASP 23 -13.958 -3.397 -3.397 235 1HB ASP 23 HB2 ASP 23 -12.521 -3.023 -3.023 236 2HB ASP 23 HB1 ASP 23 -11.819 -2.115 -2.115 237 H ILE 24 HN ILE 24 -13.144 -4.545 -4.545 238 HA ILE 24 HA ILE 24 -10.378 -5.355 -5.355 239 HB ILE 24 HB ILE 24 -12.070 -4.791 -4.791 240 1HG1 ILE 24 HG12 ILE 24 -12.323 -7.021 -7.021 241 2HG1 ILE 24 HG11 ILE 24 -13.608 -6.044 -6.044 242 1HG2 ILE 24 HG22 ILE 24 -9.534 -5.585 -5.585 243 2HG2 ILE 24 HG21 ILE 24 -10.273 -7.159 -7.159 244 3HG2 ILE 24 HG23 ILE 24 -10.591 -6.269 -6.269 245 1HD1 ILE 24 HD13 ILE 24 -12.628 -7.204 -7.204 246 2HD1 ILE 24 HD12 ILE 24 -12.269 -8.464 -8.464 247 3HD1 ILE 24 HD11 ILE 24 -13.930 -7.909 -7.909 248 H LEU 25 HN LEU 25 -8.689 -4.144 -4.144 249 HA LEU 25 HA LEU 25 -9.008 -1.271 -1.271 250 1HB LEU 25 HB2 LEU 25 -6.543 -2.873 -2.873 251 2HB LEU 25 HB1 LEU 25 -6.692 -1.113 -1.113 252 HG LEU 25 HG LEU 25 -8.830 -1.786 -1.786 253 1HD1 LEU 25 HD12 LEU 25 -6.855 -4.036 -4.036 254 2HD1 LEU 25 HD11 LEU 25 -7.719 -3.536 -3.536 255 3HD1 LEU 25 HD13 LEU 25 -8.618 -4.098 -4.098 256 1HD2 LEU 25 HD21 LEU 25 -5.959 -1.214 -1.214 257 2HD2 LEU 25 HD23 LEU 25 -7.380 -0.197 -0.197 258 3HD2 LEU 25 HD22 LEU 25 -7.086 -1.564 -1.564 259 H LYS 26 HN LYS 26 -7.365 -0.195 -0.195 260 HA LYS 26 HA LYS 26 -7.070 -1.896 -1.896 261 1HB LYS 26 HB2 LYS 26 -7.329 1.081 1.081 262 2HB LYS 26 HB1 LYS 26 -6.705 0.437 0.437 263 1HG LYS 26 HG2 LYS 26 -8.847 -1.094 -1.094 264 2HG LYS 26 HG1 LYS 26 -9.450 0.167 0.167 265 1HD LYS 26 HD2 LYS 26 -10.153 0.961 0.961 266 2HD LYS 26 HD1 LYS 26 -8.610 1.793 1.793 267 1HE LYS 26 HE2 LYS 26 -8.269 0.925 0.925 268 2HE LYS 26 HE1 LYS 26 -7.710 -0.453 -0.453 269 1HZ LYS 26 HZ2 LYS 26 -10.022 -1.314 -1.314 270 2HZ LYS 26 HZ1 LYS 26 -10.396 -0.070 -0.070 271 3HZ LYS 26 HZ3 LYS 26 -9.245 -1.245 -1.245 272 H VAL 27 HN VAL 27 -5.033 -2.861 -2.861 273 HA VAL 27 HA VAL 27 -2.792 -1.607 -1.607 274 HB VAL 27 HB VAL 27 -2.727 -3.751 -3.751 275 1HG1 VAL 27 HG13 VAL 27 -0.617 -2.367 -2.367 276 2HG1 VAL 27 HG12 VAL 27 -0.769 -3.651 -3.651 277 3HG1 VAL 27 HG11 VAL 27 -0.517 -4.058 -4.058 278 1HG2 VAL 27 HG21 VAL 27 -4.105 -3.923 -3.923 279 2HG2 VAL 27 HG23 VAL 27 -3.307 -5.304 -5.304 280 3HG2 VAL 27 HG22 VAL 27 -2.501 -4.421 -4.421 281 H LEU 28 HN LEU 28 -2.051 0.303 0.303 282 HA LEU 28 HA LEU 28 -1.931 1.006 1.006 283 1HB LEU 28 HB2 LEU 28 -0.615 2.705 2.705 284 2HB LEU 28 HB1 LEU 28 -1.484 3.199 3.199 285 HG LEU 28 HG LEU 28 -3.317 1.863 1.863 286 1HD1 LEU 28 HD13 LEU 28 -1.616 4.063 4.063 287 2HD1 LEU 28 HD12 LEU 28 -3.201 3.635 3.635 288 3HD1 LEU 28 HD11 LEU 28 -1.896 2.451 2.451 289 1HD2 LEU 28 HD21 LEU 28 -3.077 4.339 4.339 290 2HD2 LEU 28 HD23 LEU 28 -4.506 3.365 3.365 291 3HD2 LEU 28 HD22 LEU 28 -3.958 4.571 4.571 292 H ASN 29 HN ASN 29 0.141 0.049 0.049 293 HA ASN 29 HA ASN 29 2.277 -0.621 -0.621 294 1HB ASN 29 HB2 ASN 29 2.424 1.922 1.922 295 2HB ASN 29 HB1 ASN 29 3.127 1.237 1.237 296 1HD2 ASN 29 HD22 ASN 29 6.157 0.271 0.271 297 2HD2 ASN 29 HD21 ASN 29 5.203 0.168 0.168 298 H GLU 30 HN GLU 30 4.120 -1.675 -1.675 299 HA GLU 30 HA GLU 30 3.448 -2.665 -2.665 300 1HB GLU 30 HB2 GLU 30 3.797 -4.291 -4.291 301 2HB GLU 30 HB1 GLU 30 4.349 -4.960 -4.960 302 1HG GLU 30 HG2 GLU 30 2.055 -4.380 -4.380 303 2HG GLU 30 HG1 GLU 30 1.553 -4.067 -4.067 304 H GLU 31 HN GLU 31 5.231 -0.850 -0.850 305 HA GLU 31 HA GLU 31 7.899 -1.368 -1.368 306 1HB GLU 31 HB2 GLU 31 6.618 0.349 0.349 307 2HB GLU 31 HB1 GLU 31 8.342 0.030 0.030 308 1HG GLU 31 HG2 GLU 31 8.889 1.031 1.031 309 2HG GLU 31 HG1 GLU 31 7.242 0.879 0.879 310 H CYS 32 HN CYS 32 9.734 -1.804 -1.804 311 HA CYS 32 HA CYS 32 9.462 -4.469 -4.469 312 1HB CYS 32 HB2 CYS 32 11.398 -2.317 -2.317 313 2HB CYS 32 HB1 CYS 32 11.507 -4.010 -4.010 314 HG CYS 32 HG CYS 32 12.933 -3.865 -3.865 315 H ASP 33 HN ASP 33 9.197 -5.307 -5.307 316 HA ASP 33 HA ASP 33 8.795 -3.913 -3.913 317 1HB ASP 33 HB2 ASP 33 6.743 -3.286 -3.286 318 2HB ASP 33 HB1 ASP 33 6.212 -4.902 -4.902 319 H GLN 34 HN GLN 34 7.609 -5.398 -5.398 320 HA GLN 34 HA GLN 34 8.724 -8.022 -8.022 321 1HB GLN 34 HB2 GLN 34 8.400 -6.411 -6.411 322 2HB GLN 34 HB1 GLN 34 7.389 -7.831 -7.831 323 1HG GLN 34 HG2 GLN 34 9.181 -9.262 -9.262 324 2HG GLN 34 HG1 GLN 34 10.118 -8.332 -8.332 325 1HE2 GLN 34 HE22 GLN 34 10.067 -6.721 -6.721 326 2HE2 GLN 34 HE21 GLN 34 8.612 -7.252 -7.252 327 H ASN 35 HN ASN 35 5.665 -6.562 -6.562 328 HA ASN 35 HA ASN 35 4.231 -8.784 -8.784 329 1HB ASN 35 HB2 ASN 35 4.285 -8.475 -8.475 330 2HB ASN 35 HB1 ASN 35 2.771 -8.915 -8.915 331 1HD2 ASN 35 HD22 ASN 35 4.168 -12.031 -12.031 332 2HD2 ASN 35 HD21 ASN 35 3.232 -10.724 -10.724 333 H TRP 36 HN TRP 36 4.439 -5.757 -5.757 334 HA TRP 36 HA TRP 36 1.505 -5.230 -5.230 335 1HB TRP 36 HB2 TRP 36 3.522 -3.108 -3.108 336 2HB TRP 36 HB1 TRP 36 1.761 -2.993 -2.993 337 HD1 TRP 36 HD1 TRP 36 4.306 -5.604 -5.604 338 HE1 TRP 36 HE1 TRP 36 3.775 -5.954 -5.954 339 HE3 TRP 36 HE3 TRP 36 0.339 -2.335 -2.335 340 HZ2 TRP 36 HZ2 TRP 36 2.006 -5.006 -5.006 341 HZ3 TRP 36 HZ3 TRP 36 -0.671 -2.068 -2.068 342 HH2 TRP 36 HH2 TRP 36 0.140 -3.399 -3.399 343 H TYR 37 HN TYR 37 0.712 -4.160 -4.160 344 HA TYR 37 HA TYR 37 2.595 -3.495 -3.495 345 1HB TYR 37 HB2 TYR 37 -0.429 -3.837 -3.837 346 2HB TYR 37 HB1 TYR 37 0.616 -3.684 -3.684 347 HD1 TYR 37 HD1 TYR 37 2.858 -5.496 -5.496 348 HD2 TYR 37 HD2 TYR 37 -1.382 -5.912 -5.912 349 HE1 TYR 37 HE1 TYR 37 3.086 -7.963 -7.963 350 HE2 TYR 37 HE2 TYR 37 -1.180 -8.364 -8.364 351 HH TYR 37 HH TYR 37 0.572 -10.010 -10.010 352 H LYS 38 HN LYS 38 0.687 -1.826 -1.826 353 HA LYS 38 HA LYS 38 0.106 0.504 0.504 354 1HB LYS 38 HB2 LYS 38 2.286 0.964 0.964 355 2HB LYS 38 HB1 LYS 38 1.540 0.620 0.620 356 1HG LYS 38 HG2 LYS 38 -0.208 2.455 2.455 357 2HG LYS 38 HG1 LYS 38 1.356 3.034 3.034 358 1HD LYS 38 HD2 LYS 38 1.623 2.280 2.280 359 2HD LYS 38 HD1 LYS 38 0.209 3.315 3.315 360 1HE LYS 38 HE2 LYS 38 1.721 4.858 4.858 361 2HE LYS 38 HE1 LYS 38 3.064 3.931 3.931 362 1HZ LYS 38 HZ1 LYS 38 0.979 5.203 5.203 363 2HZ LYS 38 HZ3 LYS 38 2.427 5.982 5.982 364 3HZ LYS 38 HZ2 LYS 38 2.467 4.553 4.553 365 H ALA 39 HN ALA 39 -1.993 1.264 1.264 366 HA ALA 39 HA ALA 39 -3.113 0.733 0.733 367 1HB ALA 39 HB1 ALA 39 -3.315 -1.442 -1.442 368 2HB ALA 39 HB3 ALA 39 -4.232 -0.663 -0.663 369 3HB ALA 39 HB2 ALA 39 -4.893 -0.729 -0.729 370 H GLU 40 HN GLU 40 -5.665 1.014 1.014 371 HA GLU 40 HA GLU 40 -6.112 3.325 3.325 372 1HB GLU 40 HB2 GLU 40 -5.796 4.852 4.852 373 2HB GLU 40 HB1 GLU 40 -5.107 3.572 3.572 374 1HG GLU 40 HG2 GLU 40 -7.306 3.182 3.182 375 2HG GLU 40 HG1 GLU 40 -8.051 4.363 4.363 376 H LEU 41 HN LEU 41 -8.046 3.496 3.496 377 HA LEU 41 HA LEU 41 -10.169 1.778 1.778 378 1HB LEU 41 HB2 LEU 41 -9.622 2.805 2.805 379 2HB LEU 41 HB1 LEU 41 -11.315 2.580 2.580 380 HG LEU 41 HG LEU 41 -9.305 0.461 0.461 381 1HD1 LEU 41 HD12 LEU 41 -9.471 1.333 1.333 382 2HD1 LEU 41 HD11 LEU 41 -10.912 0.314 0.314 383 3HD1 LEU 41 HD13 LEU 41 -9.334 -0.384 -0.384 384 1HD2 LEU 41 HD23 LEU 41 -11.696 0.577 0.577 385 2HD2 LEU 41 HD22 LEU 41 -11.240 -0.928 -0.928 386 3HD2 LEU 41 HD21 LEU 41 -12.221 0.274 0.274 387 H ASN 42 HN ASN 42 -10.959 2.816 2.816 388 HA ASN 42 HA ASN 42 -12.088 4.472 4.472 389 1HB ASN 42 HB2 ASN 42 -13.419 4.009 4.009 390 2HB ASN 42 HB1 ASN 42 -14.011 5.352 5.352 391 1HD2 ASN 42 HD22 ASN 42 -15.507 1.907 1.907 392 2HD2 ASN 42 HD21 ASN 42 -15.142 2.519 2.519 393 H GLY 43 HN GLY 43 -9.821 5.666 5.666 394 1HA GLY 43 HA2 GLY 43 -9.753 8.270 8.270 395 2HA GLY 43 HA1 GLY 43 -10.908 8.333 8.333 396 H LYS 44 HN LYS 44 -9.648 6.343 6.343 397 HA LYS 44 HA LYS 44 -7.456 7.935 7.935 398 1HB LYS 44 HB2 LYS 44 -9.177 5.738 5.738 399 2HB LYS 44 HB1 LYS 44 -7.555 5.962 5.962 400 1HG LYS 44 HG2 LYS 44 -7.984 8.132 8.132 401 2HG LYS 44 HG1 LYS 44 -9.380 8.316 8.316 402 1HD LYS 44 HD2 LYS 44 -10.143 8.007 8.007 403 2HD LYS 44 HD1 LYS 44 -10.597 6.605 6.605 404 1HE LYS 44 HE2 LYS 44 -8.544 5.438 5.438 405 2HE LYS 44 HE1 LYS 44 -8.205 6.814 6.814 406 1HZ LYS 44 HZ1 LYS 44 -10.613 6.394 6.394 407 2HZ LYS 44 HZ3 LYS 44 -10.381 4.841 4.841 408 3HZ LYS 44 HZ2 LYS 44 -9.354 5.417 5.417 409 H ASP 45 HN ASP 45 -5.598 6.577 6.577 410 HA ASP 45 HA ASP 45 -5.000 4.216 4.216 411 1HB ASP 45 HB2 ASP 45 -3.726 4.960 4.960 412 2HB ASP 45 HB1 ASP 45 -4.915 6.242 6.242 413 H GLY 46 HN GLY 46 -2.451 3.821 3.821 414 1HA GLY 46 HA2 GLY 46 -0.456 4.643 4.643 415 2HA GLY 46 HA1 GLY 46 -1.555 4.590 4.590 416 H PHE 47 HN PHE 47 0.609 3.147 3.147 417 HA PHE 47 HA PHE 47 0.727 0.545 0.545 418 1HB PHE 47 HB2 PHE 47 1.636 1.509 1.509 419 2HB PHE 47 HB1 PHE 47 2.098 -0.033 -0.033 420 HD1 PHE 47 HD1 PHE 47 3.032 0.167 0.167 421 HD2 PHE 47 HD2 PHE 47 3.056 3.326 3.326 422 HE1 PHE 47 HE1 PHE 47 4.854 1.301 1.301 423 HE2 PHE 47 HE2 PHE 47 4.878 4.459 4.459 424 HZ PHE 47 HZ PHE 47 5.777 3.444 3.444 425 H ILE 48 HN ILE 48 -0.001 -1.534 -1.534 426 HA ILE 48 HA ILE 48 -1.947 -1.458 -1.458 427 HB ILE 48 HB ILE 48 -3.496 -2.927 -2.927 428 1HG1 ILE 48 HG12 ILE 48 -1.827 -1.708 -1.708 429 2HG1 ILE 48 HG11 ILE 48 -1.837 -3.414 -3.414 430 1HG2 ILE 48 HG23 ILE 48 -3.602 -0.335 -0.335 431 2HG2 ILE 48 HG22 ILE 48 -3.295 -0.199 -0.199 432 3HG2 ILE 48 HG21 ILE 48 -4.720 -1.064 -1.064 433 1HD1 ILE 48 HD12 ILE 48 -4.318 -3.439 -3.439 434 2HD1 ILE 48 HD11 ILE 48 -4.163 -1.801 -1.801 435 3HD1 ILE 48 HD13 ILE 48 -3.333 -3.133 -3.133 436 HA PRO 49 HA PRO 49 0.303 -5.216 -5.216 437 1HB PRO 49 HB2 PRO 49 -1.391 -6.355 -6.355 438 2HB PRO 49 HB1 PRO 49 -0.203 -5.106 -5.106 439 1HG PRO 49 HG2 PRO 49 -3.174 -4.846 -4.846 440 2HG PRO 49 HG1 PRO 49 -2.082 -3.891 -3.891 441 1HD PRO 49 HD2 PRO 49 -3.073 -3.018 -3.018 442 2HD PRO 49 HD1 PRO 49 -1.649 -2.371 -2.371 443 H LYS 50 HN LYS 50 0.170 -6.499 -6.499 444 HA LYS 50 HA LYS 50 -2.005 -7.569 -7.569 445 1HB LYS 50 HB2 LYS 50 0.175 -7.671 -7.671 446 2HB LYS 50 HB1 LYS 50 0.824 -8.524 -8.524 447 1HG LYS 50 HG2 LYS 50 -1.358 -10.040 -10.040 448 2HG LYS 50 HG1 LYS 50 -0.142 -9.667 -9.667 449 1HD LYS 50 HD2 LYS 50 1.536 -10.356 -10.356 450 2HD LYS 50 HD1 LYS 50 0.128 -11.318 -11.318 451 1HE LYS 50 HE2 LYS 50 0.637 -11.525 -11.525 452 2HE LYS 50 HE1 LYS 50 2.019 -12.051 -12.051 453 1HZ LYS 50 HZ1 LYS 50 -0.685 -12.950 -12.950 454 2HZ LYS 50 HZ3 LYS 50 0.134 -13.712 -13.712 455 3HZ LYS 50 HZ2 LYS 50 0.812 -13.703 -13.703 456 H ASN 51 HN ASN 51 -0.813 -8.587 -8.587 457 HA ASN 51 HA ASN 51 -1.699 -11.208 -11.208 458 1HB ASN 51 HB2 ASN 51 -1.103 -9.153 -9.153 459 2HB ASN 51 HB1 ASN 51 -2.000 -10.519 -10.519 460 1HD2 ASN 51 HD22 ASN 51 1.092 -12.171 -12.171 461 2HD2 ASN 51 HD21 ASN 51 -0.336 -11.611 -11.611 462 H TYR 52 HN TYR 52 -3.354 -8.229 -8.229 463 HA TYR 52 HA TYR 52 -5.953 -9.500 -9.500 464 1HB TYR 52 HB2 TYR 52 -4.911 -6.667 -6.667 465 2HB TYR 52 HB1 TYR 52 -6.632 -6.980 -6.980 466 HD1 TYR 52 HD1 TYR 52 -3.593 -8.242 -8.242 467 HD2 TYR 52 HD2 TYR 52 -7.606 -6.783 -6.783 468 HE1 TYR 52 HE1 TYR 52 -3.558 -8.355 -8.355 469 HE2 TYR 52 HE2 TYR 52 -7.565 -6.892 -6.892 470 HH TYR 52 HH TYR 52 -6.376 -8.098 -8.098 471 H ILE 53 HN ILE 53 -4.537 -9.794 -9.794 472 HA ILE 53 HA ILE 53 -6.632 -8.859 -8.859 473 HB ILE 53 HB ILE 53 -4.039 -8.162 -8.162 474 1HG1 ILE 53 HG12 ILE 53 -5.213 -6.467 -6.467 475 2HG1 ILE 53 HG11 ILE 53 -3.720 -7.385 -7.385 476 1HG2 ILE 53 HG22 ILE 53 -6.595 -7.664 -7.664 477 2HG2 ILE 53 HG21 ILE 53 -6.208 -6.178 -6.178 478 3HG2 ILE 53 HG23 ILE 53 -5.225 -6.695 -6.695 479 1HD1 ILE 53 HD11 ILE 53 -3.651 -5.795 -5.795 480 2HD1 ILE 53 HD13 ILE 53 -4.097 -4.766 -4.766 481 3HD1 ILE 53 HD12 ILE 53 -2.603 -5.693 -5.693 482 H GLU 54 HN GLU 54 -6.122 -9.427 -9.427 483 HA GLU 54 HA GLU 54 -4.302 -11.567 -11.567 484 1HB GLU 54 HB2 GLU 54 -7.109 -12.041 -12.041 485 2HB GLU 54 HB1 GLU 54 -6.604 -12.505 -12.505 486 1HG GLU 54 HG2 GLU 54 -4.822 -13.907 -13.907 487 2HG GLU 54 HG1 GLU 54 -5.273 -13.413 -13.413 488 H MET 55 HN MET 55 -4.007 -11.863 -11.863 489 HA MET 55 HA MET 55 -4.540 -9.317 -9.317 490 1HB MET 55 HB2 MET 55 -2.261 -10.680 -10.680 491 2HB MET 55 HB1 MET 55 -2.886 -11.468 -11.468 492 1HG MET 55 HG2 MET 55 -3.255 -8.589 -8.589 493 2HG MET 55 HG1 MET 55 -1.568 -8.965 -8.965 494 1HE MET 55 HE1 MET 55 -0.105 -9.875 -9.875 495 2HE MET 55 HE3 MET 55 -0.098 -10.751 -10.751 496 3HE MET 55 HE2 MET 55 -0.075 -8.990 -8.990 497 H LYS 56 HN LYS 56 -6.429 -9.275 -9.275 498 HA LYS 56 HA LYS 56 -7.187 -11.636 -11.636 499 1HB LYS 56 HB2 LYS 56 -8.631 -9.388 -9.388 500 2HB LYS 56 HB1 LYS 56 -9.271 -10.080 -10.080 501 1HG LYS 56 HG2 LYS 56 -9.469 -12.234 -12.234 502 2HG LYS 56 HG1 LYS 56 -8.412 -11.801 -11.801 503 1HD LYS 56 HD2 LYS 56 -10.752 -11.848 -11.848 504 2HD LYS 56 HD1 LYS 56 -10.120 -10.204 -10.204 505 1HE LYS 56 HE2 LYS 56 -12.280 -10.025 -10.025 506 2HE LYS 56 HE1 LYS 56 -11.120 -9.868 -9.868 507 1HZ LYS 56 HZ2 LYS 56 -11.417 -12.431 -12.431 508 2HZ LYS 56 HZ1 LYS 56 -12.880 -12.124 -12.124 509 3HZ LYS 56 HZ3 LYS 56 -12.578 -11.412 -11.412 510 HA PRO 57 HA PRO 57 -6.115 -9.683 -9.683 511 1HB PRO 57 HB2 PRO 57 -7.360 -11.332 -11.332 512 2HB PRO 57 HB1 PRO 57 -5.848 -11.736 -11.736 513 1HG PRO 57 HG2 PRO 57 -8.588 -12.712 -12.712 514 2HG PRO 57 HG1 PRO 57 -7.046 -13.473 -13.473 515 1HD PRO 57 HD2 PRO 57 -8.705 -12.147 -12.147 516 2HD PRO 57 HD1 PRO 57 -7.030 -12.676 -12.676 517 H HIS 58 HN HIS 58 -7.535 -9.456 -9.456 518 HA HIS 58 HA HIS 58 -10.131 -8.190 -8.190 519 1HB HIS 58 HB2 HIS 58 -9.655 -6.439 -6.439 520 2HB HIS 58 HB1 HIS 58 -8.545 -6.371 -6.371 521 HD1 HIS 58 HD1 HIS 58 -8.558 -6.441 -6.441 522 HD2 HIS 58 HD2 HIS 58 -6.019 -7.937 -7.937 523 HE1 HIS 58 HE1 HIS 58 -6.344 -6.918 -6.918 524 HA PRO 59 HA PRO 59 -10.612 -11.277 -11.277 525 1HB PRO 59 HB2 PRO 59 -12.858 -12.480 -12.480 526 2HB PRO 59 HB1 PRO 59 -11.203 -12.982 -12.982 527 1HG PRO 59 HG2 PRO 59 -13.139 -11.434 -11.434 528 2HG PRO 59 HG1 PRO 59 -11.814 -12.497 -12.497 529 1HD PRO 59 HD2 PRO 59 -11.732 -9.676 -9.676 530 2HD PRO 59 HD1 PRO 59 -10.324 -10.752 -10.752 531 H GLU 60 HN GLU 60 -11.699 -10.642 -10.642 532 HA GLU 60 HA GLU 60 -14.454 -9.935 -9.935 533 1HB GLU 60 HB2 GLU 60 -13.116 -7.875 -7.875 534 2HB GLU 60 HB1 GLU 60 -12.905 -7.453 -7.453 535 1HG GLU 60 HG2 GLU 60 -15.616 -8.231 -8.231 536 2HG GLU 60 HG1 GLU 60 -15.025 -6.577 -6.577 537 H PHE 61 HN PHE 61 -13.482 -11.626 -11.626 538 HA PHE 61 HA PHE 61 -11.995 -10.696 -10.696 539 1HB PHE 61 HB2 PHE 61 -13.913 -13.041 -13.041 540 2HB PHE 61 HB1 PHE 61 -12.675 -12.803 -12.803 541 HD1 PHE 61 HD2 PHE 61 -10.234 -12.270 -12.270 542 HD2 PHE 61 HD1 PHE 61 -13.376 -14.443 -14.443 543 HE1 PHE 61 HE2 PHE 61 -8.561 -13.357 -13.357 544 HE2 PHE 61 HE1 PHE 61 -11.703 -15.530 -15.530 545 HZ PHE 61 HZ PHE 61 -9.296 -14.987 -14.987 546 H ILE 62 HN ILE 62 -13.092 -10.951 -10.951 547 HA ILE 62 HA ILE 62 -15.593 -9.310 -9.310 548 HB ILE 62 HB ILE 62 -14.904 -8.649 -8.649 549 1HG1 ILE 62 HG12 ILE 62 -12.239 -9.881 -9.881 550 2HG1 ILE 62 HG11 ILE 62 -13.430 -10.736 -10.736 551 1HG2 ILE 62 HG21 ILE 62 -14.365 -7.307 -7.307 552 2HG2 ILE 62 HG23 ILE 62 -12.788 -8.095 -8.095 553 3HG2 ILE 62 HG22 ILE 62 -13.232 -7.066 -7.066 554 1HD1 ILE 62 HD11 ILE 62 -12.491 -7.952 -7.952 555 2HD1 ILE 62 HD13 ILE 62 -11.651 -9.392 -9.392 556 3HD1 ILE 62 HD12 ILE 62 -13.332 -9.109 -9.109 557 H VAL 63 HN VAL 63 -15.298 -12.340 -12.340 558 HA VAL 63 HA VAL 63 -17.224 -12.872 -12.872 559 HB VAL 63 HB VAL 63 -15.018 -13.449 -13.449 560 1HG1 VAL 63 HG11 VAL 63 -14.809 -15.323 -15.323 561 2HG1 VAL 63 HG13 VAL 63 -13.695 -15.286 -15.286 562 3HG1 VAL 63 HG12 VAL 63 -13.811 -13.898 -13.898 563 1HG2 VAL 63 HG21 VAL 63 -17.097 -14.840 -14.840 564 2HG2 VAL 63 HG23 VAL 63 -15.569 -15.680 -15.680 565 3HG2 VAL 63 HG22 VAL 63 -16.503 -15.988 -15.988 566 H THR 64 HN THR 64 -18.596 -14.675 -14.675 567 HA THR 64 HA THR 64 -18.645 -15.394 -15.394 568 HB THR 64 HB THR 64 -20.715 -16.093 -16.093 569 HG1 THR 64 HG1 THR 64 -20.581 -13.788 -13.788 570 1HG2 THR 64 HG21 THR 64 -20.573 -16.009 -16.009 571 2HG2 THR 64 HG23 THR 64 -22.126 -15.799 -15.799 572 3HG2 THR 64 HG22 THR 64 -21.200 -17.282 -17.282 573 H ASP 65 HN ASP 65 -19.149 -17.696 -17.696 574 HA ASP 65 HA ASP 65 -18.599 -19.978 -19.978 575 1HB ASP 65 HB2 ASP 65 -20.008 -19.574 -19.574 576 2HB ASP 65 HB1 ASP 65 -18.455 -19.897 -19.897 577 1H SER 1 HT1 SER 1 -11.655 -14.460 -14.460 578 2H SER 1 HT3 SER 1 -12.245 -15.901 -15.901 579 3H SER 1 HT2 SER 1 -13.298 -14.592 -14.592 580 HA SER 1 HA SER 1 -13.706 -16.156 -16.156 581 1HB SER 1 HB2 SER 1 -10.729 -16.260 -16.260 582 2HB SER 1 HB1 SER 1 -11.530 -16.462 -16.462 583 HG SER 1 HG SER 1 -12.838 -18.083 -18.083 584 HA PRO 2 HA PRO 2 -13.961 -12.718 -12.718 585 1HB PRO 2 HB2 PRO 2 -14.391 -13.937 -13.937 586 2HB PRO 2 HB1 PRO 2 -15.624 -13.822 -13.822 587 1HG PRO 2 HG2 PRO 2 -14.025 -16.197 -16.197 588 2HG PRO 2 HG1 PRO 2 -15.618 -16.138 -16.138 589 1HD PRO 2 HD2 PRO 2 -13.158 -16.717 -16.717 590 2HD PRO 2 HD1 PRO 2 -14.703 -16.349 -16.349 591 H LEU 3 HN LEU 3 -13.141 -12.268 -12.268 592 HA LEU 3 HA LEU 3 -11.179 -11.381 -11.381 593 1HB LEU 3 HB2 LEU 3 -9.680 -13.466 -13.466 594 2HB LEU 3 HB1 LEU 3 -11.238 -13.137 -13.137 595 HG LEU 3 HG LEU 3 -12.204 -14.725 -14.725 596 1HD1 LEU 3 HD12 LEU 3 -9.707 -14.661 -14.661 597 2HD1 LEU 3 HD11 LEU 3 -9.539 -16.052 -16.052 598 3HD1 LEU 3 HD13 LEU 3 -10.771 -16.052 -16.052 599 1HD2 LEU 3 HD21 LEU 3 -10.410 -15.750 -15.750 600 2HD2 LEU 3 HD23 LEU 3 -12.106 -15.293 -15.293 601 3HD2 LEU 3 HD22 LEU 3 -11.660 -16.698 -16.698 602 H LEU 4 HN LEU 4 -10.848 -11.167 -11.167 603 HA LEU 4 HA LEU 4 -8.340 -12.283 -12.283 604 1HB LEU 4 HB2 LEU 4 -10.328 -11.313 -11.313 605 2HB LEU 4 HB1 LEU 4 -9.556 -9.754 -9.754 606 HG LEU 4 HG LEU 4 -7.398 -11.145 -11.145 607 1HD1 LEU 4 HD13 LEU 4 -8.995 -13.163 -13.163 608 2HD1 LEU 4 HD12 LEU 4 -9.589 -12.311 -12.311 609 3HD1 LEU 4 HD11 LEU 4 -7.895 -12.793 -12.793 610 1HD2 LEU 4 HD22 LEU 4 -8.486 -9.027 -9.027 611 2HD2 LEU 4 HD21 LEU 4 -7.646 -10.051 -10.051 612 3HD2 LEU 4 HD23 LEU 4 -9.406 -10.094 -10.094 613 HA PRO 5 HA PRO 5 -5.999 -9.140 -9.140 614 1HB PRO 5 HB2 PRO 5 -3.543 -10.355 -10.355 615 2HB PRO 5 HB1 PRO 5 -4.732 -10.796 -10.796 616 1HG PRO 5 HG2 PRO 5 -3.960 -12.283 -12.283 617 2HG PRO 5 HG1 PRO 5 -4.671 -12.895 -12.895 618 1HD PRO 5 HD2 PRO 5 -6.052 -12.417 -12.417 619 2HD PRO 5 HD1 PRO 5 -6.786 -12.790 -12.790 620 H LYS 6 HN LYS 6 -3.603 -8.141 -8.141 621 HA LYS 6 HA LYS 6 -3.846 -7.574 -7.574 622 1HB LYS 6 HB2 LYS 6 -2.754 -5.754 -5.754 623 2HB LYS 6 HB1 LYS 6 -2.951 -5.350 -5.350 624 1HG LYS 6 HG2 LYS 6 -5.457 -6.121 -6.121 625 2HG LYS 6 HG1 LYS 6 -5.030 -5.656 -5.656 626 1HD LYS 6 HD2 LYS 6 -4.182 -3.718 -3.718 627 2HD LYS 6 HD1 LYS 6 -5.929 -3.913 -3.913 628 1HE LYS 6 HE2 LYS 6 -5.699 -3.580 -3.580 629 2HE LYS 6 HE1 LYS 6 -4.001 -3.187 -3.187 630 1HZ LYS 6 HZ3 LYS 6 -6.059 -1.786 -1.786 631 2HZ LYS 6 HZ2 LYS 6 -5.781 -1.314 -1.314 632 3HZ LYS 6 HZ1 LYS 6 -4.519 -1.255 -1.255 633 H LEU 7 HN LEU 7 -2.207 -8.401 -8.401 634 HA LEU 7 HA LEU 7 -0.091 -9.275 -9.275 635 1HB LEU 7 HB2 LEU 7 0.457 -6.820 -6.820 636 2HB LEU 7 HB1 LEU 7 1.801 -7.821 -7.821 637 HG LEU 7 HG LEU 7 1.285 -5.989 -5.989 638 1HD1 LEU 7 HD12 LEU 7 1.969 -8.503 -8.503 639 2HD1 LEU 7 HD11 LEU 7 0.406 -8.472 -8.472 640 3HD1 LEU 7 HD13 LEU 7 1.660 -7.313 -7.313 641 1HD2 LEU 7 HD22 LEU 7 -1.306 -6.297 -6.297 642 2HD2 LEU 7 HD21 LEU 7 -0.799 -5.689 -5.689 643 3HD2 LEU 7 HD23 LEU 7 -1.252 -7.388 -7.388 644 HA PRO 8 HA PRO 8 0.119 -11.407 -11.407 645 1HB PRO 8 HB2 PRO 8 -1.050 -13.782 -13.782 646 2HB PRO 8 HB1 PRO 8 -1.951 -12.392 -12.392 647 1HG PRO 8 HG2 PRO 8 -1.804 -13.416 -13.416 648 2HG PRO 8 HG1 PRO 8 -3.091 -12.487 -12.487 649 1HD PRO 8 HD2 PRO 8 -1.136 -11.452 -11.452 650 2HD PRO 8 HD1 PRO 8 -2.235 -10.508 -10.508 651 HA PRO 9 HA PRO 9 3.655 -13.604 -13.604 652 1HB PRO 9 HB2 PRO 9 5.355 -13.320 -13.320 653 2HB PRO 9 HB1 PRO 9 5.119 -12.056 -12.056 654 1HG PRO 9 HG2 PRO 9 4.137 -12.146 -12.146 655 2HG PRO 9 HG1 PRO 9 4.415 -10.741 -10.741 656 1HD PRO 9 HD2 PRO 9 1.895 -11.954 -11.954 657 2HD PRO 9 HD1 PRO 9 2.210 -10.682 -10.682 658 H LYS 10 HN LYS 10 3.747 -15.873 -15.873 659 HA LYS 10 HA LYS 10 3.675 -17.168 -17.168 660 1HB LYS 10 HB2 LYS 10 1.283 -16.862 -16.862 661 2HB LYS 10 HB1 LYS 10 1.803 -18.321 -18.321 662 1HG LYS 10 HG2 LYS 10 2.239 -19.422 -19.422 663 2HG LYS 10 HG1 LYS 10 1.694 -17.968 -17.968 664 1HD LYS 10 HD2 LYS 10 -0.535 -18.192 -18.192 665 2HD LYS 10 HD1 LYS 10 -0.020 -19.530 -19.530 666 1HE LYS 10 HE2 LYS 10 -0.804 -20.826 -20.826 667 2HE LYS 10 HE1 LYS 10 0.742 -20.444 -20.444 668 1HZ LYS 10 HZ1 LYS 10 -0.404 -18.434 -18.434 669 2HZ LYS 10 HZ3 LYS 10 -1.870 -19.107 -19.107 670 3HZ LYS 10 HZ2 LYS 10 -0.923 -19.928 -19.928 671 H THR 11 HN THR 11 5.677 -18.154 -18.154 672 HA THR 11 HA THR 11 5.852 -20.553 -20.553 673 HB THR 11 HB THR 11 7.823 -19.292 -19.292 674 HG1 THR 11 HG1 THR 11 7.142 -17.256 -17.256 675 1HG2 THR 11 HG23 THR 11 5.182 -20.499 -20.499 676 2HG2 THR 11 HG22 THR 11 5.641 -19.346 -19.346 677 3HG2 THR 11 HG21 THR 11 6.684 -20.722 -20.722 678 H TYR 12 HN TYR 12 6.862 -21.315 -21.315 679 HA TYR 12 HA TYR 12 9.148 -19.975 -19.975 680 1HB TYR 12 HB2 TYR 12 8.108 -22.819 -22.819 681 2HB TYR 12 HB1 TYR 12 9.368 -22.108 -22.108 682 HD1 TYR 12 HD2 TYR 12 8.698 -19.657 -19.657 683 HD2 TYR 12 HD1 TYR 12 5.952 -22.781 -22.781 684 HE1 TYR 12 HE2 TYR 12 6.975 -18.647 -18.647 685 HE2 TYR 12 HE1 TYR 12 4.228 -21.772 -21.772 686 HH TYR 12 HH TYR 12 4.966 -19.181 -19.181 687 H LYS 13 HN LYS 13 11.002 -22.147 -22.147 688 HA LYS 13 HA LYS 13 11.701 -23.082 -23.082 689 1HB LYS 13 HB2 LYS 13 12.539 -20.702 -20.702 690 2HB LYS 13 HB1 LYS 13 13.611 -21.224 -21.224 691 1HG LYS 13 HG2 LYS 13 13.682 -22.913 -22.913 692 2HG LYS 13 HG1 LYS 13 14.296 -21.273 -21.273 693 1HD LYS 13 HD2 LYS 13 15.165 -22.963 -22.963 694 2HD LYS 13 HD1 LYS 13 15.969 -23.099 -23.099 695 1HE LYS 13 HE2 LYS 13 17.127 -21.200 -21.200 696 2HE LYS 13 HE1 LYS 13 15.646 -20.307 -20.307 697 1HZ LYS 13 HZ2 LYS 13 15.781 -21.570 -21.570 698 2HZ LYS 13 HZ1 LYS 13 17.424 -21.757 -21.757 699 3HZ LYS 13 HZ3 LYS 13 16.760 -20.204 -20.204 700 H ARG 14 HN ARG 14 12.753 -22.716 -22.716 701 HA ARG 14 HA ARG 14 14.771 -24.708 -24.708 702 1HB ARG 14 HB2 ARG 14 13.746 -23.034 -23.034 703 2HB ARG 14 HB1 ARG 14 13.034 -24.559 -24.559 704 1HG ARG 14 HG2 ARG 14 15.941 -24.520 -24.520 705 2HG ARG 14 HG1 ARG 14 15.448 -23.839 -23.839 706 1HD ARG 14 HD2 ARG 14 14.164 -26.001 -26.001 707 2HD ARG 14 HD1 ARG 14 14.994 -26.658 -26.658 708 HE ARG 14 HE ARG 14 17.141 -26.257 -26.257 709 1HH1 ARG 14 HH21 ARG 14 17.296 -24.977 -24.977 710 2HH1 ARG 14 HH22 ARG 14 16.596 -25.914 -25.914 711 1HH2 ARG 14 HH11 ARG 14 14.873 -28.033 -28.033 712 2HH2 ARG 14 HH12 ARG 14 15.225 -27.644 -27.644 713 H GLU 15 HN GLU 15 14.370 -26.679 -26.679 714 HA GLU 15 HA GLU 15 13.443 -28.811 -28.811 715 1HB GLU 15 HB2 GLU 15 12.801 -28.130 -28.130 716 2HB GLU 15 HB1 GLU 15 11.968 -29.512 -29.512 717 1HG GLU 15 HG2 GLU 15 14.134 -30.486 -30.486 718 2HG GLU 15 HG1 GLU 15 14.972 -29.107 -29.107 Start of MODEL 15 1 1H GLY -8 HT2 GLY -8 10.937 -1.603 -1.603 2 2H GLY -8 HT1 GLY -8 11.445 -3.029 -3.029 3 3H GLY -8 HT3 GLY -8 12.513 -2.186 -2.186 4 1HA GLY -8 HA1 GLY -8 11.694 -3.499 -3.499 5 2HA GLY -8 HA2 GLY -8 10.483 -4.284 -4.284 6 H SER -7 HN SER -7 9.281 -4.152 -4.152 7 HA SER -7 HA SER -7 9.528 -1.759 -1.759 8 1HB SER -7 HB2 SER -7 9.908 -3.990 -3.990 9 2HB SER -7 HB1 SER -7 8.276 -4.464 -4.464 10 HG SER -7 HG SER -7 9.111 -2.451 -2.451 11 H ARG -6 HN ARG -6 8.169 -0.832 -0.832 12 HA ARG -6 HA ARG -6 5.505 -0.370 -0.370 13 1HB ARG -6 HB2 ARG -6 4.257 -1.498 -1.498 14 2HB ARG -6 HB1 ARG -6 5.046 -2.643 -2.643 15 1HG ARG -6 HG2 ARG -6 7.040 -2.292 -2.292 16 2HG ARG -6 HG1 ARG -6 5.653 -2.001 -2.001 17 1HD ARG -6 HD2 ARG -6 6.138 -4.365 -4.365 18 2HD ARG -6 HD1 ARG -6 4.657 -4.157 -4.157 19 HE ARG -6 HE ARG -6 7.102 -4.214 -4.214 20 1HH1 ARG -6 HH21 ARG -6 6.245 -6.693 -6.693 21 2HH1 ARG -6 HH22 ARG -6 5.602 -7.719 -7.719 22 1HH2 ARG -6 HH11 ARG -6 5.529 -5.218 -5.218 23 2HH2 ARG -6 HH12 ARG -6 5.195 -6.883 -6.883 24 H ARG -5 HN ARG -5 5.369 1.726 1.726 25 HA ARG -5 HA ARG -5 6.395 2.478 2.478 26 1HB ARG -5 HB2 ARG -5 5.930 4.303 4.303 27 2HB ARG -5 HB1 ARG -5 6.747 4.713 4.713 28 1HG ARG -5 HG2 ARG -5 8.554 3.169 3.169 29 2HG ARG -5 HG1 ARG -5 7.707 2.565 2.565 30 1HD ARG -5 HD2 ARG -5 7.866 5.396 5.396 31 2HD ARG -5 HD1 ARG -5 9.467 4.830 4.830 32 HE ARG -5 HE ARG -5 8.054 3.524 3.524 33 1HH1 ARG -5 HH11 ARG -5 10.898 2.887 2.887 34 2HH1 ARG -5 HH12 ARG -5 11.829 3.753 3.753 35 1HH2 ARG -5 HH21 ARG -5 9.157 5.678 5.678 36 2HH2 ARG -5 HH22 ARG -5 10.843 5.334 5.334 37 H ALA -4 HN ALA -4 3.696 2.758 2.758 38 HA ALA -4 HA ALA -4 2.092 4.134 4.134 39 1HB ALA -4 HB1 ALA -4 2.327 4.912 4.912 40 2HB ALA -4 HB3 ALA -4 1.095 3.679 3.679 41 3HB ALA -4 HB2 ALA -4 0.770 5.023 5.023 42 H SER -3 HN SER -3 -0.466 3.253 3.253 43 HA SER -3 HA SER -3 -1.989 1.472 1.472 44 1HB SER -3 HB2 SER -3 0.064 0.348 0.348 45 2HB SER -3 HB1 SER -3 0.143 -0.609 -0.609 46 HG SER -3 HG SER -3 -1.299 -1.397 -1.397 47 H VAL -2 HN VAL -2 -2.409 2.229 2.229 48 HA VAL -2 HA VAL -2 -0.957 1.306 1.306 49 HB VAL -2 HB VAL -2 -3.888 2.089 2.089 50 1HG1 VAL -2 HG11 VAL -2 -1.875 1.911 1.911 51 2HG1 VAL -2 HG13 VAL -2 -3.372 2.833 2.833 52 3HG1 VAL -2 HG12 VAL -2 -3.430 1.090 1.090 53 1HG2 VAL -2 HG22 VAL -2 -1.860 3.675 3.675 54 2HG2 VAL -2 HG21 VAL -2 -3.280 4.308 4.308 55 3HG2 VAL -2 HG23 VAL -2 -1.792 4.006 4.006 56 H GLY -1 HN GLY -1 -1.285 -0.521 -0.521 57 1HA GLY -1 HA2 GLY -1 -3.480 -2.384 -2.384 58 2HA GLY -1 HA1 GLY -1 -1.836 -2.990 -2.990 59 H SER 0 HN SER 0 -3.705 -1.193 -1.193 60 HA SER 0 HA SER 0 -2.150 -2.502 -2.502 61 1HB SER 0 HB2 SER 0 -3.858 -1.180 -1.180 62 2HB SER 0 HB1 SER 0 -2.663 -0.259 -0.259 63 HG SER 0 HG SER 0 -4.208 0.503 0.503 64 H MET 1 HN MET 1 -3.056 -3.968 -3.968 65 HA MET 1 HA MET 1 -5.536 -5.319 -5.319 66 1HB MET 1 HB2 MET 1 -3.071 -6.254 -6.254 67 2HB MET 1 HB1 MET 1 -4.589 -7.081 -7.081 68 1HG MET 1 HG2 MET 1 -4.882 -7.793 -7.793 69 2HG MET 1 HG1 MET 1 -3.811 -6.555 -6.555 70 1HE MET 1 HE2 MET 1 -4.101 -9.382 -9.382 71 2HE MET 1 HE1 MET 1 -2.618 -10.324 -10.324 72 3HE MET 1 HE3 MET 1 -3.851 -10.427 -10.427 73 H GLU 2 HN GLU 2 -6.454 -6.578 -6.578 74 HA GLU 2 HA GLU 2 -6.805 -4.415 -4.415 75 1HB GLU 2 HB2 GLU 2 -8.734 -5.536 -5.536 76 2HB GLU 2 HB1 GLU 2 -9.027 -6.272 -6.272 77 1HG GLU 2 HG2 GLU 2 -9.468 -4.220 -4.220 78 2HG GLU 2 HG1 GLU 2 -8.582 -3.311 -3.311 79 H ALA 3 HN ALA 3 -7.799 -5.557 -5.557 80 HA ALA 3 HA ALA 3 -6.941 -8.292 -8.292 81 1HB ALA 3 HB1 ALA 3 -5.445 -5.957 -5.957 82 2HB ALA 3 HB3 ALA 3 -5.530 -7.452 -7.452 83 3HB ALA 3 HB2 ALA 3 -4.839 -7.465 -7.465 84 H ILE 4 HN ILE 4 -8.467 -9.122 -9.122 85 HA ILE 4 HA ILE 4 -10.499 -7.657 -7.657 86 HB ILE 4 HB ILE 4 -10.924 -9.834 -9.834 87 1HG1 ILE 4 HG12 ILE 4 -11.053 -10.669 -10.669 88 2HG1 ILE 4 HG11 ILE 4 -11.618 -9.014 -9.014 89 1HG2 ILE 4 HG22 ILE 4 -8.445 -10.472 -10.472 90 2HG2 ILE 4 HG21 ILE 4 -9.710 -11.664 -11.664 91 3HG2 ILE 4 HG23 ILE 4 -9.225 -11.283 -11.283 92 1HD1 ILE 4 HD13 ILE 4 -12.501 -11.299 -11.299 93 2HD1 ILE 4 HD12 ILE 4 -13.360 -10.820 -10.820 94 3HD1 ILE 4 HD11 ILE 4 -13.204 -9.689 -9.689 95 H ALA 5 HN ALA 5 -10.483 -6.659 -6.659 96 HA ALA 5 HA ALA 5 -8.315 -6.949 -6.949 97 1HB ALA 5 HB3 ALA 5 -10.922 -5.446 -5.446 98 2HB ALA 5 HB2 ALA 5 -10.087 -5.663 -5.663 99 3HB ALA 5 HB1 ALA 5 -9.285 -4.822 -4.822 100 H LYS 6 HN LYS 6 -8.296 -9.118 -9.118 101 HA LYS 6 HA LYS 6 -10.422 -10.840 -10.840 102 1HB LYS 6 HB2 LYS 6 -7.775 -10.680 -10.680 103 2HB LYS 6 HB1 LYS 6 -8.870 -12.064 -12.064 104 1HG LYS 6 HG2 LYS 6 -8.601 -12.439 -12.439 105 2HG LYS 6 HG1 LYS 6 -7.768 -10.904 -10.904 106 1HD LYS 6 HD2 LYS 6 -5.991 -12.406 -12.406 107 2HD LYS 6 HD1 LYS 6 -6.061 -11.885 -11.885 108 1HE LYS 6 HE2 LYS 6 -7.788 -14.195 -14.195 109 2HE LYS 6 HE1 LYS 6 -6.051 -14.496 -14.496 110 1HZ LYS 6 HZ3 LYS 6 -6.074 -13.289 -13.289 111 2HZ LYS 6 HZ2 LYS 6 -7.720 -13.707 -13.707 112 3HZ LYS 6 HZ1 LYS 6 -6.534 -14.918 -14.918 113 H TYR 7 HN TYR 7 -9.237 -8.239 -8.239 114 HA TYR 7 HA TYR 7 -11.566 -8.651 -8.651 115 1HB TYR 7 HB2 TYR 7 -8.820 -8.384 -8.384 116 2HB TYR 7 HB1 TYR 7 -10.322 -8.804 -8.804 117 HD1 TYR 7 HD1 TYR 7 -11.442 -11.032 -11.032 118 HD2 TYR 7 HD2 TYR 7 -7.415 -10.030 -10.030 119 HE1 TYR 7 HE1 TYR 7 -10.946 -13.435 -13.435 120 HE2 TYR 7 HE2 TYR 7 -6.911 -12.419 -12.419 121 HH TYR 7 HH TYR 7 -7.815 -14.636 -14.636 122 H ASP 8 HN ASP 8 -11.088 -6.906 -6.906 123 HA ASP 8 HA ASP 8 -11.040 -4.357 -4.357 124 1HB ASP 8 HB2 ASP 8 -12.192 -3.468 -3.468 125 2HB ASP 8 HB1 ASP 8 -12.901 -5.045 -5.045 126 H PHE 9 HN PHE 9 -9.954 -2.487 -2.487 127 HA PHE 9 HA PHE 9 -7.958 -2.625 -2.625 128 1HB PHE 9 HB2 PHE 9 -7.133 -4.077 -4.077 129 2HB PHE 9 HB1 PHE 9 -6.276 -2.544 -2.544 130 HD1 PHE 9 HD1 PHE 9 -7.353 -4.582 -4.582 131 HD2 PHE 9 HD2 PHE 9 -4.086 -2.894 -2.894 132 HE1 PHE 9 HE1 PHE 9 -5.765 -5.341 -5.341 133 HE2 PHE 9 HE2 PHE 9 -2.500 -3.651 -3.651 134 HZ PHE 9 HZ PHE 9 -3.340 -4.875 -4.875 135 H LYS 10 HN LYS 10 -6.251 -0.761 -0.761 136 HA LYS 10 HA LYS 10 -7.475 1.396 1.396 137 1HB LYS 10 HB2 LYS 10 -7.246 3.010 3.010 138 2HB LYS 10 HB1 LYS 10 -8.178 1.644 1.644 139 1HG LYS 10 HG2 LYS 10 -5.671 0.811 0.811 140 2HG LYS 10 HG1 LYS 10 -5.453 2.556 2.556 141 1HD LYS 10 HD2 LYS 10 -7.068 2.764 2.764 142 2HD LYS 10 HD1 LYS 10 -7.813 1.214 1.214 143 1HE LYS 10 HE2 LYS 10 -4.957 1.329 1.329 144 2HE LYS 10 HE1 LYS 10 -6.279 1.359 1.359 145 1HZ LYS 10 HZ3 LYS 10 -6.278 -0.673 -0.673 146 2HZ LYS 10 HZ2 LYS 10 -5.274 -0.891 -0.891 147 3HZ LYS 10 HZ1 LYS 10 -6.954 -0.742 -0.742 148 H ALA 11 HN ALA 11 -5.895 3.363 3.363 149 HA ALA 11 HA ALA 11 -3.471 2.371 2.371 150 1HB ALA 11 HB3 ALA 11 -4.882 4.639 4.639 151 2HB ALA 11 HB2 ALA 11 -3.631 5.232 5.232 152 3HB ALA 11 HB1 ALA 11 -3.186 4.493 4.493 153 H THR 12 HN THR 12 -1.423 2.258 2.258 154 HA THR 12 HA THR 12 -1.299 3.116 3.116 155 HB THR 12 HB THR 12 0.494 1.288 1.288 156 HG1 THR 12 HG1 THR 12 0.149 -0.349 -0.349 157 1HG2 THR 12 HG22 THR 12 -2.082 1.213 1.213 158 2HG2 THR 12 HG21 THR 12 -2.139 0.072 0.072 159 3HG2 THR 12 HG23 THR 12 -1.111 -0.258 -0.258 160 H ALA 13 HN ALA 13 -0.666 4.906 4.906 161 HA ALA 13 HA ALA 13 1.893 5.876 5.876 162 1HB ALA 13 HB2 ALA 13 1.884 4.411 4.411 163 2HB ALA 13 HB1 ALA 13 3.176 5.469 5.469 164 3HB ALA 13 HB3 ALA 13 2.819 3.969 3.969 165 H ASP 14 HN ASP 14 2.716 7.463 7.463 166 HA ASP 14 HA ASP 14 0.491 9.235 9.235 167 1HB ASP 14 HB2 ASP 14 2.881 9.721 9.721 168 2HB ASP 14 HB1 ASP 14 3.315 9.643 9.643 169 H ASP 15 HN ASP 15 1.647 6.644 6.644 170 HA ASP 15 HA ASP 15 0.583 7.680 7.680 171 1HB ASP 15 HB2 ASP 15 3.368 6.830 6.830 172 2HB ASP 15 HB1 ASP 15 2.620 6.242 6.242 173 H GLU 16 HN GLU 16 -0.407 5.855 5.855 174 HA GLU 16 HA GLU 16 -0.284 3.250 3.250 175 1HB GLU 16 HB2 GLU 16 0.187 3.643 3.643 176 2HB GLU 16 HB1 GLU 16 -1.556 3.565 3.565 177 1HG GLU 16 HG2 GLU 16 -1.571 1.350 1.350 178 2HG GLU 16 HG1 GLU 16 -0.568 1.463 1.463 179 H LEU 17 HN LEU 17 -2.529 2.031 2.031 180 HA LEU 17 HA LEU 17 -4.667 3.914 3.914 181 1HB LEU 17 HB2 LEU 17 -3.540 1.994 1.994 182 2HB LEU 17 HB1 LEU 17 -4.876 1.091 1.091 183 HG LEU 17 HG LEU 17 -5.264 3.805 3.805 184 1HD1 LEU 17 HD11 LEU 17 -5.262 1.042 1.042 185 2HD1 LEU 17 HD13 LEU 17 -6.155 2.392 2.392 186 3HD1 LEU 17 HD12 LEU 17 -4.406 2.485 2.485 187 1HD2 LEU 17 HD22 LEU 17 -6.959 1.786 1.786 188 2HD2 LEU 17 HD21 LEU 17 -7.304 3.479 3.479 189 3HD2 LEU 17 HD23 LEU 17 -7.553 2.249 2.249 190 H SER 18 HN SER 18 -6.761 3.590 3.590 191 HA SER 18 HA SER 18 -7.081 1.671 1.671 192 1HB SER 18 HB2 SER 18 -8.820 3.961 3.961 193 2HB SER 18 HB1 SER 18 -8.585 3.135 3.135 194 HG SER 18 HG SER 18 -7.203 5.201 5.201 195 H PHE 19 HN PHE 19 -8.633 0.071 0.071 196 HA PHE 19 HA PHE 19 -10.776 0.470 0.470 197 1HB PHE 19 HB2 PHE 19 -10.206 -1.654 -1.654 198 2HB PHE 19 HB1 PHE 19 -8.944 -0.437 -0.437 199 HD1 PHE 19 HD1 PHE 19 -9.935 -3.451 -3.451 200 HD2 PHE 19 HD2 PHE 19 -6.744 -0.818 -0.818 201 HE1 PHE 19 HE1 PHE 19 -8.282 -5.006 -5.006 202 HE2 PHE 19 HE2 PHE 19 -5.096 -2.370 -2.370 203 HZ PHE 19 HZ PHE 19 -5.865 -4.464 -4.464 204 H LYS 20 HN LYS 20 -12.246 -1.546 -1.546 205 HA LYS 20 HA LYS 20 -12.401 -2.661 -2.661 206 1HB LYS 20 HB2 LYS 20 -14.652 -2.200 -2.200 207 2HB LYS 20 HB1 LYS 20 -14.815 -2.725 -2.725 208 1HG LYS 20 HG2 LYS 20 -13.266 -0.249 -0.249 209 2HG LYS 20 HG1 LYS 20 -14.928 -0.111 -0.111 210 1HD LYS 20 HD2 LYS 20 -15.821 -0.688 -0.688 211 2HD LYS 20 HD1 LYS 20 -14.288 -1.357 -1.357 212 1HE LYS 20 HE2 LYS 20 -13.775 1.349 1.349 213 2HE LYS 20 HE1 LYS 20 -15.267 1.343 1.343 214 1HZ LYS 20 HZ1 LYS 20 -12.750 -0.005 -0.005 215 2HZ LYS 20 HZ3 LYS 20 -13.269 1.501 1.501 216 3HZ LYS 20 HZ2 LYS 20 -14.176 0.104 0.104 217 H ARG 21 HN ARG 21 -13.927 -4.713 -4.713 218 HA ARG 21 HA ARG 21 -12.515 -6.663 -6.663 219 1HB ARG 21 HB2 ARG 21 -13.510 -7.082 -7.082 220 2HB ARG 21 HB1 ARG 21 -15.112 -6.929 -6.929 221 1HG ARG 21 HG2 ARG 21 -14.824 -8.869 -8.869 222 2HG ARG 21 HG1 ARG 21 -13.073 -8.877 -8.877 223 1HD ARG 21 HD2 ARG 21 -13.236 -9.886 -9.886 224 2HD ARG 21 HD1 ARG 21 -14.662 -8.952 -8.952 225 HE ARG 21 HE ARG 21 -14.672 -11.532 -11.532 226 1HH1 ARG 21 HH11 ARG 21 -16.500 -8.756 -8.756 227 2HH1 ARG 21 HH12 ARG 21 -17.992 -9.476 -9.476 228 1HH2 ARG 21 HH21 ARG 21 -16.536 -12.476 -12.476 229 2HH2 ARG 21 HH22 ARG 21 -18.012 -11.580 -11.580 230 H GLY 22 HN GLY 22 -12.859 -6.695 -6.695 231 1HA GLY 22 HA2 GLY 22 -14.416 -7.531 -7.531 232 2HA GLY 22 HA1 GLY 22 -15.683 -6.584 -6.584 233 H ASP 23 HN ASP 23 -13.077 -4.597 -4.597 234 HA ASP 23 HA ASP 23 -13.901 -3.022 -3.022 235 1HB ASP 23 HB2 ASP 23 -12.396 -2.683 -2.683 236 2HB ASP 23 HB1 ASP 23 -11.773 -1.769 -1.769 237 H ILE 24 HN ILE 24 -13.124 -4.314 -4.314 238 HA ILE 24 HA ILE 24 -10.399 -5.232 -5.232 239 HB ILE 24 HB ILE 24 -12.043 -4.687 -4.687 240 1HG1 ILE 24 HG12 ILE 24 -12.392 -6.834 -6.834 241 2HG1 ILE 24 HG11 ILE 24 -13.637 -5.841 -5.841 242 1HG2 ILE 24 HG22 ILE 24 -9.535 -5.572 -5.572 243 2HG2 ILE 24 HG21 ILE 24 -10.356 -7.103 -7.103 244 3HG2 ILE 24 HG23 ILE 24 -10.600 -6.221 -6.221 245 1HD1 ILE 24 HD13 ILE 24 -12.870 -7.051 -7.051 246 2HD1 ILE 24 HD12 ILE 24 -12.220 -8.249 -8.249 247 3HD1 ILE 24 HD11 ILE 24 -13.946 -7.885 -7.885 248 H LEU 25 HN LEU 25 -8.670 -4.083 -4.083 249 HA LEU 25 HA LEU 25 -8.845 -1.240 -1.240 250 1HB LEU 25 HB2 LEU 25 -6.423 -2.888 -2.888 251 2HB LEU 25 HB1 LEU 25 -6.552 -1.127 -1.127 252 HG LEU 25 HG LEU 25 -8.679 -1.754 -1.754 253 1HD1 LEU 25 HD12 LEU 25 -6.844 -4.092 -4.092 254 2HD1 LEU 25 HD11 LEU 25 -7.450 -3.525 -3.525 255 3HD1 LEU 25 HD13 LEU 25 -8.585 -4.021 -4.021 256 1HD2 LEU 25 HD22 LEU 25 -5.781 -1.435 -1.435 257 2HD2 LEU 25 HD21 LEU 25 -7.002 -0.170 -0.170 258 3HD2 LEU 25 HD23 LEU 25 -7.114 -1.375 -1.375 259 H LYS 26 HN LYS 26 -7.068 -0.325 -0.325 260 HA LYS 26 HA LYS 26 -6.797 -2.139 -2.139 261 1HB LYS 26 HB2 LYS 26 -6.976 0.885 0.885 262 2HB LYS 26 HB1 LYS 26 -6.631 0.004 0.004 263 1HG LYS 26 HG2 LYS 26 -8.769 -1.149 -1.149 264 2HG LYS 26 HG1 LYS 26 -9.108 -0.416 -0.416 265 1HD LYS 26 HD2 LYS 26 -9.187 1.798 1.798 266 2HD LYS 26 HD1 LYS 26 -8.667 1.165 1.165 267 1HE LYS 26 HE2 LYS 26 -10.715 0.109 0.109 268 2HE LYS 26 HE1 LYS 26 -11.141 0.069 0.069 269 1HZ LYS 26 HZ1 LYS 26 -10.824 2.628 2.628 270 2HZ LYS 26 HZ3 LYS 26 -12.290 1.779 1.779 271 3HZ LYS 26 HZ2 LYS 26 -11.667 2.315 2.315 272 H VAL 27 HN VAL 27 -4.725 -2.993 -2.993 273 HA VAL 27 HA VAL 27 -2.532 -1.674 -1.674 274 HB VAL 27 HB VAL 27 -2.388 -3.778 -3.778 275 1HG1 VAL 27 HG11 VAL 27 -0.335 -2.303 -2.303 276 2HG1 VAL 27 HG13 VAL 27 -0.385 -3.719 -3.719 277 3HG1 VAL 27 HG12 VAL 27 -0.153 -3.919 -3.919 278 1HG2 VAL 27 HG21 VAL 27 -3.828 -4.466 -4.466 279 2HG2 VAL 27 HG23 VAL 27 -2.322 -5.382 -5.382 280 3HG2 VAL 27 HG22 VAL 27 -2.532 -4.056 -4.056 281 H LEU 28 HN LEU 28 -1.769 0.243 0.243 282 HA LEU 28 HA LEU 28 -1.717 0.976 0.976 283 1HB LEU 28 HB2 LEU 28 -0.498 2.781 2.781 284 2HB LEU 28 HB1 LEU 28 -1.455 3.188 3.188 285 HG LEU 28 HG LEU 28 -3.102 1.744 1.744 286 1HD1 LEU 28 HD12 LEU 28 -1.496 4.083 4.083 287 2HD1 LEU 28 HD11 LEU 28 -3.050 3.642 3.642 288 3HD1 LEU 28 HD13 LEU 28 -1.710 2.499 2.499 289 1HD2 LEU 28 HD21 LEU 28 -3.375 3.732 3.732 290 2HD2 LEU 28 HD23 LEU 28 -4.618 3.277 3.277 291 3HD2 LEU 28 HD22 LEU 28 -3.542 4.631 4.631 292 H ASN 29 HN ASN 29 0.435 0.078 0.078 293 HA ASN 29 HA ASN 29 2.606 -0.199 -0.199 294 1HB ASN 29 HB2 ASN 29 2.488 2.219 2.219 295 2HB ASN 29 HB1 ASN 29 3.354 1.413 1.413 296 1HD2 ASN 29 HD22 ASN 29 6.189 2.347 2.347 297 2HD2 ASN 29 HD21 ASN 29 5.217 2.865 2.865 298 H GLU 30 HN GLU 30 4.448 -1.291 -1.291 299 HA GLU 30 HA GLU 30 4.020 -3.075 -3.075 300 1HB GLU 30 HB2 GLU 30 4.587 -3.696 -3.696 301 2HB GLU 30 HB1 GLU 30 6.205 -3.625 -3.625 302 1HG GLU 30 HG2 GLU 30 5.819 -5.407 -5.407 303 2HG GLU 30 HG1 GLU 30 4.084 -5.099 -5.099 304 H GLU 31 HN GLU 31 6.822 -3.759 -3.759 305 HA GLU 31 HA GLU 31 8.830 -3.084 -3.084 306 1HB GLU 31 HB2 GLU 31 7.921 -0.583 -0.583 307 2HB GLU 31 HB1 GLU 31 9.127 -0.412 -0.412 308 1HG GLU 31 HG2 GLU 31 9.531 -2.595 -2.595 309 2HG GLU 31 HG1 GLU 31 9.795 -0.939 -0.939 310 H CYS 32 HN CYS 32 9.501 -1.151 -1.151 311 HA CYS 32 HA CYS 32 9.119 -0.313 -0.313 312 1HB CYS 32 HB2 CYS 32 6.690 0.160 0.160 313 2HB CYS 32 HB1 CYS 32 6.230 -0.966 -0.966 314 HG CYS 32 HG CYS 32 6.216 1.215 1.215 315 H ASP 33 HN ASP 33 7.402 -1.391 -1.391 316 HA ASP 33 HA ASP 33 8.676 -3.475 -3.475 317 1HB ASP 33 HB2 ASP 33 6.493 -2.275 -2.275 318 2HB ASP 33 HB1 ASP 33 5.700 -3.643 -3.643 319 H GLN 34 HN GLN 34 8.559 -5.733 -5.733 320 HA GLN 34 HA GLN 34 7.977 -6.852 -6.852 321 1HB GLN 34 HB2 GLN 34 9.740 -7.524 -7.524 322 2HB GLN 34 HB1 GLN 34 8.905 -8.942 -8.942 323 1HG GLN 34 HG2 GLN 34 9.985 -8.847 -8.847 324 2HG GLN 34 HG1 GLN 34 10.008 -7.084 -7.084 325 1HE2 GLN 34 HE22 GLN 34 13.507 -7.579 -7.579 326 2HE2 GLN 34 HE21 GLN 34 12.353 -7.275 -7.275 327 H ASN 35 HN ASN 35 5.907 -6.180 -6.180 328 HA ASN 35 HA ASN 35 4.345 -8.632 -8.632 329 1HB ASN 35 HB2 ASN 35 5.181 -7.553 -7.553 330 2HB ASN 35 HB1 ASN 35 3.634 -8.387 -8.387 331 1HD2 ASN 35 HD22 ASN 35 7.044 -10.546 -10.546 332 2HD2 ASN 35 HD21 ASN 35 7.032 -8.870 -8.870 333 H TRP 36 HN TRP 36 4.349 -5.345 -5.345 334 HA TRP 36 HA TRP 36 1.377 -5.281 -5.281 335 1HB TRP 36 HB2 TRP 36 3.188 -2.902 -2.902 336 2HB TRP 36 HB1 TRP 36 1.435 -2.961 -2.961 337 HD1 TRP 36 HD1 TRP 36 4.274 -5.327 -5.327 338 HE1 TRP 36 HE1 TRP 36 3.963 -5.603 -5.603 339 HE3 TRP 36 HE3 TRP 36 0.182 -2.284 -2.284 340 HZ2 TRP 36 HZ2 TRP 36 2.341 -4.676 -4.676 341 HZ3 TRP 36 HZ3 TRP 36 -0.656 -1.998 -1.998 342 HH2 TRP 36 HH2 TRP 36 0.402 -3.197 -3.197 343 H TYR 37 HN TYR 37 0.303 -4.232 -4.232 344 HA TYR 37 HA TYR 37 1.997 -3.570 -3.570 345 1HB TYR 37 HB2 TYR 37 -0.972 -4.111 -4.111 346 2HB TYR 37 HB1 TYR 37 -0.124 -3.777 -3.777 347 HD1 TYR 37 HD1 TYR 37 2.349 -5.390 -5.390 348 HD2 TYR 37 HD2 TYR 37 -1.720 -6.278 -6.278 349 HE1 TYR 37 HE1 TYR 37 2.804 -7.816 -7.816 350 HE2 TYR 37 HE2 TYR 37 -1.278 -8.690 -8.690 351 HH TYR 37 HH TYR 37 0.951 -9.977 -9.977 352 H LYS 38 HN LYS 38 1.650 -1.594 -1.594 353 HA LYS 38 HA LYS 38 0.347 0.583 0.583 354 1HB LYS 38 HB2 LYS 38 2.554 0.900 0.900 355 2HB LYS 38 HB1 LYS 38 1.608 0.767 0.767 356 1HG LYS 38 HG2 LYS 38 0.114 2.576 2.576 357 2HG LYS 38 HG1 LYS 38 1.734 2.972 2.972 358 1HD LYS 38 HD2 LYS 38 1.902 2.568 2.568 359 2HD LYS 38 HD1 LYS 38 0.525 3.627 3.627 360 1HE LYS 38 HE2 LYS 38 2.180 4.859 4.859 361 2HE LYS 38 HE1 LYS 38 3.422 4.064 4.064 362 1HZ LYS 38 HZ1 LYS 38 1.230 5.726 5.726 363 2HZ LYS 38 HZ3 LYS 38 2.807 6.283 6.283 364 3HZ LYS 38 HZ2 LYS 38 2.531 5.054 5.054 365 H ALA 39 HN ALA 39 -1.735 1.301 1.301 366 HA ALA 39 HA ALA 39 -2.897 0.703 0.703 367 1HB ALA 39 HB2 ALA 39 -2.992 -1.469 -1.469 368 2HB ALA 39 HB1 ALA 39 -3.961 -0.695 -0.695 369 3HB ALA 39 HB3 ALA 39 -4.592 -0.825 -0.825 370 H GLU 40 HN GLU 40 -5.454 0.892 0.892 371 HA GLU 40 HA GLU 40 -5.992 3.151 3.151 372 1HB GLU 40 HB2 GLU 40 -5.668 4.748 4.748 373 2HB GLU 40 HB1 GLU 40 -4.955 3.530 3.530 374 1HG GLU 40 HG2 GLU 40 -7.128 3.160 3.160 375 2HG GLU 40 HG1 GLU 40 -7.910 4.268 4.268 376 H LEU 41 HN LEU 41 -7.938 3.262 3.262 377 HA LEU 41 HA LEU 41 -9.985 1.513 1.513 378 1HB LEU 41 HB2 LEU 41 -9.532 2.476 2.476 379 2HB LEU 41 HB1 LEU 41 -11.207 2.215 2.215 380 HG LEU 41 HG LEU 41 -9.121 0.180 0.180 381 1HD1 LEU 41 HD11 LEU 41 -10.511 0.723 0.723 382 2HD1 LEU 41 HD13 LEU 41 -10.025 -0.914 -0.914 383 3HD1 LEU 41 HD12 LEU 41 -8.811 0.354 0.354 384 1HD2 LEU 41 HD21 LEU 41 -11.382 0.128 0.128 385 2HD2 LEU 41 HD23 LEU 41 -11.082 -1.275 -1.275 386 3HD2 LEU 41 HD22 LEU 41 -12.088 0.049 0.049 387 H ASN 42 HN ASN 42 -10.757 2.580 2.580 388 HA ASN 42 HA ASN 42 -11.932 4.238 4.238 389 1HB ASN 42 HB2 ASN 42 -13.301 3.593 3.593 390 2HB ASN 42 HB1 ASN 42 -13.934 4.951 4.951 391 1HD2 ASN 42 HD22 ASN 42 -14.301 1.139 1.139 392 2HD2 ASN 42 HD21 ASN 42 -13.308 1.447 1.447 393 H GLY 43 HN GLY 43 -9.770 5.452 5.452 394 1HA GLY 43 HA2 GLY 43 -9.821 8.093 8.093 395 2HA GLY 43 HA1 GLY 43 -10.999 8.021 8.021 396 H LYS 44 HN LYS 44 -9.652 5.982 5.982 397 HA LYS 44 HA LYS 44 -7.569 7.619 7.619 398 1HB LYS 44 HB2 LYS 44 -9.151 5.237 5.237 399 2HB LYS 44 HB1 LYS 44 -7.550 5.503 5.503 400 1HG LYS 44 HG2 LYS 44 -9.191 6.620 6.620 401 2HG LYS 44 HG1 LYS 44 -8.200 7.824 7.824 402 1HD LYS 44 HD2 LYS 44 -10.570 8.468 8.468 403 2HD LYS 44 HD1 LYS 44 -9.975 8.064 8.064 404 1HE LYS 44 HE2 LYS 44 -10.999 5.880 5.880 405 2HE LYS 44 HE1 LYS 44 -11.424 6.095 6.095 406 1HZ LYS 44 HZ3 LYS 44 -12.397 7.942 7.942 407 2HZ LYS 44 HZ2 LYS 44 -13.227 6.509 6.509 408 3HZ LYS 44 HZ1 LYS 44 -13.007 7.704 7.704 409 H ASP 45 HN ASP 45 -5.626 6.369 6.369 410 HA ASP 45 HA ASP 45 -4.897 4.176 4.176 411 1HB ASP 45 HB2 ASP 45 -3.623 5.196 5.196 412 2HB ASP 45 HB1 ASP 45 -4.828 6.437 6.437 413 H GLY 46 HN GLY 46 -2.340 3.901 3.901 414 1HA GLY 46 HA2 GLY 46 -0.417 4.472 4.472 415 2HA GLY 46 HA1 GLY 46 -1.573 4.385 4.385 416 H PHE 47 HN PHE 47 0.603 2.819 2.819 417 HA PHE 47 HA PHE 47 0.494 0.233 0.233 418 1HB PHE 47 HB2 PHE 47 1.575 0.884 0.884 419 2HB PHE 47 HB1 PHE 47 2.059 -0.448 -0.448 420 HD1 PHE 47 HD2 PHE 47 2.512 0.597 0.597 421 HD2 PHE 47 HD1 PHE 47 3.223 2.516 2.516 422 HE1 PHE 47 HE2 PHE 47 4.212 2.058 2.058 423 HE2 PHE 47 HE1 PHE 47 4.922 3.977 3.977 424 HZ PHE 47 HZ PHE 47 5.417 3.748 3.748 425 H ILE 48 HN ILE 48 -0.060 -1.830 -1.830 426 HA ILE 48 HA ILE 48 -2.003 -1.579 -1.579 427 HB ILE 48 HB ILE 48 -3.618 -3.089 -3.089 428 1HG1 ILE 48 HG12 ILE 48 -2.336 -2.035 -2.035 429 2HG1 ILE 48 HG11 ILE 48 -1.705 -3.509 -3.509 430 1HG2 ILE 48 HG22 ILE 48 -3.498 -0.383 -0.383 431 2HG2 ILE 48 HG21 ILE 48 -3.490 -0.579 -0.579 432 3HG2 ILE 48 HG23 ILE 48 -4.811 -1.247 -1.247 433 1HD1 ILE 48 HD11 ILE 48 -4.663 -3.281 -3.281 434 2HD1 ILE 48 HD13 ILE 48 -3.689 -3.592 -3.592 435 3HD1 ILE 48 HD12 ILE 48 -3.633 -4.710 -4.710 436 HA PRO 49 HA PRO 49 0.244 -5.261 -5.261 437 1HB PRO 49 HB2 PRO 49 -1.418 -6.340 -6.340 438 2HB PRO 49 HB1 PRO 49 -0.220 -5.063 -5.063 439 1HG PRO 49 HG2 PRO 49 -3.207 -4.834 -4.834 440 2HG PRO 49 HG1 PRO 49 -2.093 -3.813 -3.813 441 1HD PRO 49 HD2 PRO 49 -3.160 -3.107 -3.107 442 2HD PRO 49 HD1 PRO 49 -1.739 -2.384 -2.384 443 H LYS 50 HN LYS 50 0.254 -6.665 -6.665 444 HA LYS 50 HA LYS 50 -1.806 -7.690 -7.690 445 1HB LYS 50 HB2 LYS 50 0.586 -7.765 -7.765 446 2HB LYS 50 HB1 LYS 50 0.820 -8.968 -8.968 447 1HG LYS 50 HG2 LYS 50 -0.800 -10.448 -10.448 448 2HG LYS 50 HG1 LYS 50 -0.786 -9.271 -9.271 449 1HD LYS 50 HD2 LYS 50 1.491 -9.625 -9.625 450 2HD LYS 50 HD1 LYS 50 1.800 -10.305 -10.305 451 1HE LYS 50 HE2 LYS 50 0.638 -12.343 -12.343 452 2HE LYS 50 HE1 LYS 50 0.037 -11.651 -11.651 453 1HZ LYS 50 HZ2 LYS 50 2.577 -11.319 -11.319 454 2HZ LYS 50 HZ1 LYS 50 2.733 -12.590 -12.590 455 3HZ LYS 50 HZ3 LYS 50 1.835 -12.817 -12.817 456 H ASN 51 HN ASN 51 -0.970 -8.718 -8.718 457 HA ASN 51 HA ASN 51 -1.878 -11.335 -11.335 458 1HB ASN 51 HB2 ASN 51 -1.342 -9.358 -9.358 459 2HB ASN 51 HB1 ASN 51 -2.305 -10.715 -10.715 460 1HD2 ASN 51 HD22 ASN 51 1.391 -11.696 -11.696 461 2HD2 ASN 51 HD21 ASN 51 0.436 -10.558 -10.558 462 H TYR 52 HN TYR 52 -3.520 -8.336 -8.336 463 HA TYR 52 HA TYR 52 -6.130 -9.659 -9.659 464 1HB TYR 52 HB2 TYR 52 -5.193 -6.788 -6.788 465 2HB TYR 52 HB1 TYR 52 -6.889 -7.196 -7.196 466 HD1 TYR 52 HD1 TYR 52 -4.096 -9.005 -9.005 467 HD2 TYR 52 HD2 TYR 52 -7.527 -6.489 -6.489 468 HE1 TYR 52 HE1 TYR 52 -4.009 -9.188 -9.188 469 HE2 TYR 52 HE2 TYR 52 -7.446 -6.679 -6.679 470 HH TYR 52 HH TYR 52 -5.952 -7.227 -7.227 471 H ILE 53 HN ILE 53 -4.558 -9.814 -9.814 472 HA ILE 53 HA ILE 53 -6.602 -8.755 -8.755 473 HB ILE 53 HB ILE 53 -3.971 -8.344 -8.344 474 1HG1 ILE 53 HG12 ILE 53 -3.588 -7.640 -7.640 475 2HG1 ILE 53 HG11 ILE 53 -3.272 -6.409 -6.409 476 1HG2 ILE 53 HG21 ILE 53 -6.198 -7.665 -7.665 477 2HG2 ILE 53 HG23 ILE 53 -6.204 -6.365 -6.365 478 3HG2 ILE 53 HG22 ILE 53 -4.929 -6.446 -6.446 479 1HD1 ILE 53 HD11 ILE 53 -6.007 -6.271 -6.271 480 2HD1 ILE 53 HD13 ILE 53 -4.992 -6.272 -6.272 481 3HD1 ILE 53 HD12 ILE 53 -4.734 -5.067 -5.067 482 H GLU 54 HN GLU 54 -6.505 -9.607 -9.607 483 HA GLU 54 HA GLU 54 -4.747 -11.831 -11.831 484 1HB GLU 54 HB2 GLU 54 -7.579 -12.093 -12.093 485 2HB GLU 54 HB1 GLU 54 -7.135 -12.570 -12.570 486 1HG GLU 54 HG2 GLU 54 -5.177 -13.819 -13.819 487 2HG GLU 54 HG1 GLU 54 -6.424 -13.824 -13.824 488 H MET 55 HN MET 55 -4.461 -12.127 -12.127 489 HA MET 55 HA MET 55 -4.882 -9.536 -9.536 490 1HB MET 55 HB2 MET 55 -2.621 -10.912 -10.912 491 2HB MET 55 HB1 MET 55 -3.203 -11.678 -11.678 492 1HG MET 55 HG2 MET 55 -3.430 -9.485 -9.485 493 2HG MET 55 HG1 MET 55 -2.911 -8.686 -8.686 494 1HE MET 55 HE1 MET 55 -2.391 -11.132 -11.132 495 2HE MET 55 HE3 MET 55 -0.725 -10.952 -10.952 496 3HE MET 55 HE2 MET 55 -1.094 -12.063 -12.063 497 H LYS 56 HN LYS 56 -6.701 -9.431 -9.431 498 HA LYS 56 HA LYS 56 -7.437 -11.772 -11.772 499 1HB LYS 56 HB2 LYS 56 -8.904 -9.525 -9.525 500 2HB LYS 56 HB1 LYS 56 -9.491 -10.179 -10.179 501 1HG LYS 56 HG2 LYS 56 -9.232 -12.487 -12.487 502 2HG LYS 56 HG1 LYS 56 -9.087 -11.610 -11.610 503 1HD LYS 56 HD2 LYS 56 -11.407 -11.202 -11.202 504 2HD LYS 56 HD1 LYS 56 -11.444 -12.399 -12.399 505 1HE LYS 56 HE2 LYS 56 -10.561 -10.106 -10.106 506 2HE LYS 56 HE1 LYS 56 -11.758 -9.494 -9.494 507 1HZ LYS 56 HZ3 LYS 56 -13.328 -11.141 -11.141 508 2HZ LYS 56 HZ2 LYS 56 -12.175 -11.709 -11.709 509 3HZ LYS 56 HZ1 LYS 56 -12.794 -10.134 -10.134 510 HA PRO 57 HA PRO 57 -6.237 -9.839 -9.839 511 1HB PRO 57 HB2 PRO 57 -7.635 -11.302 -11.302 512 2HB PRO 57 HB1 PRO 57 -6.171 -11.875 -11.875 513 1HG PRO 57 HG2 PRO 57 -8.994 -12.598 -12.598 514 2HG PRO 57 HG1 PRO 57 -7.533 -13.514 -13.514 515 1HD PRO 57 HD2 PRO 57 -9.056 -12.098 -12.098 516 2HD PRO 57 HD1 PRO 57 -7.433 -12.779 -12.779 517 H HIS 58 HN HIS 58 -7.611 -9.395 -9.395 518 HA HIS 58 HA HIS 58 -10.204 -8.147 -8.147 519 1HB HIS 58 HB2 HIS 58 -7.704 -6.644 -6.644 520 2HB HIS 58 HB1 HIS 58 -8.954 -6.130 -6.130 521 HD1 HIS 58 HD1 HIS 58 -11.468 -5.982 -5.982 522 HD2 HIS 58 HD2 HIS 58 -7.950 -5.243 -5.243 523 HE1 HIS 58 HE1 HIS 58 -12.131 -4.670 -4.670 524 HA PRO 59 HA PRO 59 -10.429 -9.893 -9.893 525 1HB PRO 59 HB2 PRO 59 -13.148 -9.653 -9.653 526 2HB PRO 59 HB1 PRO 59 -12.377 -10.971 -10.971 527 1HG PRO 59 HG2 PRO 59 -13.852 -8.594 -8.594 528 2HG PRO 59 HG1 PRO 59 -13.626 -10.189 -10.189 529 1HD PRO 59 HD2 PRO 59 -12.200 -7.838 -7.838 530 2HD PRO 59 HD1 PRO 59 -11.765 -9.494 -9.494 531 H GLU 60 HN GLU 60 -11.767 -9.092 -9.092 532 HA GLU 60 HA GLU 60 -11.113 -6.214 -6.214 533 1HB GLU 60 HB2 GLU 60 -10.331 -7.994 -7.994 534 2HB GLU 60 HB1 GLU 60 -12.014 -8.127 -8.127 535 1HG GLU 60 HG2 GLU 60 -11.853 -5.506 -5.506 536 2HG GLU 60 HG1 GLU 60 -10.121 -5.822 -5.822 537 H PHE 61 HN PHE 61 -13.829 -8.442 -8.442 538 HA PHE 61 HA PHE 61 -15.765 -6.405 -6.405 539 1HB PHE 61 HB2 PHE 61 -15.018 -6.735 -6.735 540 2HB PHE 61 HB1 PHE 61 -16.741 -6.996 -6.996 541 HD1 PHE 61 HD1 PHE 61 -17.948 -5.235 -5.235 542 HD2 PHE 61 HD2 PHE 61 -14.216 -4.546 -4.546 543 HE1 PHE 61 HE1 PHE 61 -18.296 -2.788 -2.788 544 HE2 PHE 61 HE2 PHE 61 -14.565 -2.098 -2.098 545 HZ PHE 61 HZ PHE 61 -16.605 -1.219 -1.219 546 H ILE 62 HN ILE 62 -15.606 -8.668 -8.668 547 HA ILE 62 HA ILE 62 -16.783 -10.594 -10.594 548 HB ILE 62 HB ILE 62 -18.836 -9.652 -9.652 549 1HG1 ILE 62 HG12 ILE 62 -19.149 -9.089 -9.089 550 2HG1 ILE 62 HG11 ILE 62 -17.941 -8.127 -8.127 551 1HG2 ILE 62 HG21 ILE 62 -18.870 -12.026 -12.026 552 2HG2 ILE 62 HG23 ILE 62 -19.399 -11.129 -11.129 553 3HG2 ILE 62 HG22 ILE 62 -20.351 -11.068 -11.068 554 1HD1 ILE 62 HD13 ILE 62 -19.835 -7.831 -7.831 555 2HD1 ILE 62 HD12 ILE 62 -20.904 -8.273 -8.273 556 3HD1 ILE 62 HD11 ILE 62 -19.868 -6.852 -6.852 557 H VAL 63 HN VAL 63 -15.682 -12.378 -12.378 558 HA VAL 63 HA VAL 63 -15.565 -13.053 -13.053 559 HB VAL 63 HB VAL 63 -14.523 -14.614 -14.614 560 1HG1 VAL 63 HG13 VAL 63 -14.833 -15.646 -15.646 561 2HG1 VAL 63 HG12 VAL 63 -13.426 -14.664 -14.664 562 3HG1 VAL 63 HG11 VAL 63 -13.312 -15.892 -15.892 563 1HG2 VAL 63 HG22 VAL 63 -13.663 -12.218 -12.218 564 2HG2 VAL 63 HG21 VAL 63 -12.435 -13.482 -13.482 565 3HG2 VAL 63 HG23 VAL 63 -12.968 -12.740 -12.740 566 H THR 64 HN THR 64 -16.494 -14.922 -14.922 567 HA THR 64 HA THR 64 -18.603 -16.237 -16.237 568 HB THR 64 HB THR 64 -17.519 -17.563 -17.563 569 HG1 THR 64 HG1 THR 64 -16.237 -17.552 -17.552 570 1HG2 THR 64 HG21 THR 64 -18.740 -18.338 -18.338 571 2HG2 THR 64 HG23 THR 64 -17.775 -19.515 -19.515 572 3HG2 THR 64 HG22 THR 64 -19.215 -18.813 -18.813 573 H ASP 65 HN ASP 65 -20.384 -17.192 -17.192 574 HA ASP 65 HA ASP 65 -21.520 -14.986 -14.986 575 1HB ASP 65 HB2 ASP 65 -22.316 -17.810 -17.810 576 2HB ASP 65 HB1 ASP 65 -23.139 -16.968 -16.968 577 1H SER 1 HT2 SER 1 -15.168 -15.635 -15.635 578 2H SER 1 HT1 SER 1 -16.506 -15.044 -15.044 579 3H SER 1 HT3 SER 1 -16.566 -16.585 -16.585 580 HA SER 1 HA SER 1 -17.031 -15.833 -15.833 581 1HB SER 1 HB2 SER 1 -17.728 -13.145 -13.145 582 2HB SER 1 HB1 SER 1 -18.711 -14.294 -14.294 583 HG SER 1 HG SER 1 -19.174 -13.907 -13.907 584 HA PRO 2 HA PRO 2 -14.355 -11.977 -11.977 585 1HB PRO 2 HB2 PRO 2 -12.870 -10.884 -10.884 586 2HB PRO 2 HB1 PRO 2 -14.516 -10.364 -10.364 587 1HG PRO 2 HG2 PRO 2 -13.578 -12.012 -12.012 588 2HG PRO 2 HG1 PRO 2 -15.019 -10.988 -10.988 589 1HD PRO 2 HD2 PRO 2 -14.947 -13.819 -13.819 590 2HD PRO 2 HD1 PRO 2 -16.316 -12.768 -12.768 591 H LEU 3 HN LEU 3 -12.651 -12.800 -12.800 592 HA LEU 3 HA LEU 3 -10.452 -14.159 -14.159 593 1HB LEU 3 HB2 LEU 3 -12.042 -15.640 -15.640 594 2HB LEU 3 HB1 LEU 3 -11.190 -14.926 -14.926 595 HG LEU 3 HG LEU 3 -9.510 -15.970 -15.970 596 1HD1 LEU 3 HD13 LEU 3 -11.450 -17.638 -17.638 597 2HD1 LEU 3 HD12 LEU 3 -10.557 -17.895 -17.895 598 3HD1 LEU 3 HD11 LEU 3 -9.794 -18.240 -18.240 599 1HD2 LEU 3 HD21 LEU 3 -9.397 -15.608 -15.608 600 2HD2 LEU 3 HD23 LEU 3 -8.195 -15.200 -15.200 601 3HD2 LEU 3 HD22 LEU 3 -8.399 -16.876 -16.876 602 H LEU 4 HN LEU 4 -9.963 -11.623 -11.623 603 HA LEU 4 HA LEU 4 -8.491 -11.216 -11.216 604 1HB LEU 4 HB2 LEU 4 -10.149 -9.464 -9.464 605 2HB LEU 4 HB1 LEU 4 -8.595 -8.740 -8.740 606 HG LEU 4 HG LEU 4 -10.280 -8.169 -8.169 607 1HD1 LEU 4 HD12 LEU 4 -7.793 -8.801 -8.801 608 2HD1 LEU 4 HD11 LEU 4 -8.510 -10.206 -10.206 609 3HD1 LEU 4 HD13 LEU 4 -8.933 -8.582 -8.582 610 1HD2 LEU 4 HD21 LEU 4 -10.801 -11.078 -11.078 611 2HD2 LEU 4 HD23 LEU 4 -11.892 -9.763 -9.763 612 3HD2 LEU 4 HD22 LEU 4 -10.792 -10.428 -10.428 613 HA PRO 5 HA PRO 5 -4.888 -11.420 -11.420 614 1HB PRO 5 HB2 PRO 5 -2.979 -10.980 -10.980 615 2HB PRO 5 HB1 PRO 5 -3.772 -12.544 -12.544 616 1HG PRO 5 HG2 PRO 5 -4.195 -10.560 -10.560 617 2HG PRO 5 HG1 PRO 5 -4.478 -12.306 -12.306 618 1HD PRO 5 HD2 PRO 5 -6.459 -10.286 -10.286 619 2HD PRO 5 HD1 PRO 5 -6.686 -12.028 -12.028 620 H LYS 6 HN LYS 6 -2.579 -9.816 -9.816 621 HA LYS 6 HA LYS 6 -3.641 -7.028 -7.028 622 1HB LYS 6 HB2 LYS 6 -2.725 -8.440 -8.440 623 2HB LYS 6 HB1 LYS 6 -1.573 -7.152 -7.152 624 1HG LYS 6 HG2 LYS 6 -3.143 -6.022 -6.022 625 2HG LYS 6 HG1 LYS 6 -3.741 -5.691 -5.691 626 1HD LYS 6 HD2 LYS 6 -5.209 -7.754 -7.754 627 2HD LYS 6 HD1 LYS 6 -4.756 -7.771 -7.771 628 1HE LYS 6 HE2 LYS 6 -5.722 -5.597 -5.597 629 2HE LYS 6 HE1 LYS 6 -5.961 -5.354 -5.354 630 1HZ LYS 6 HZ3 LYS 6 -7.273 -7.460 -7.460 631 2HZ LYS 6 HZ2 LYS 6 -8.009 -6.015 -6.015 632 3HZ LYS 6 HZ1 LYS 6 -7.527 -7.177 -7.177 633 H LEU 7 HN LEU 7 -2.003 -8.671 -8.671 634 HA LEU 7 HA LEU 7 -0.126 -8.351 -8.351 635 1HB LEU 7 HB2 LEU 7 -0.780 -5.667 -5.667 636 2HB LEU 7 HB1 LEU 7 0.841 -5.843 -5.843 637 HG LEU 7 HG LEU 7 -0.750 -5.092 -5.092 638 1HD1 LEU 7 HD11 LEU 7 0.919 -7.448 -7.448 639 2HD1 LEU 7 HD13 LEU 7 -0.460 -7.636 -7.636 640 3HD1 LEU 7 HD12 LEU 7 0.602 -6.239 -6.239 641 1HD2 LEU 7 HD21 LEU 7 -2.611 -6.589 -6.589 642 2HD2 LEU 7 HD23 LEU 7 -2.758 -6.129 -6.129 643 3HD2 LEU 7 HD22 LEU 7 -2.149 -7.727 -7.727 644 HA PRO 8 HA PRO 8 2.772 -9.261 -9.261 645 1HB PRO 8 HB2 PRO 8 4.107 -11.282 -11.282 646 2HB PRO 8 HB1 PRO 8 2.666 -11.501 -11.501 647 1HG PRO 8 HG2 PRO 8 2.894 -11.524 -11.524 648 2HG PRO 8 HG1 PRO 8 1.704 -12.320 -12.320 649 1HD PRO 8 HD2 PRO 8 1.258 -9.944 -9.944 650 2HD PRO 8 HD1 PRO 8 0.246 -10.547 -10.547 651 HA PRO 9 HA PRO 9 6.495 -8.148 -8.148 652 1HB PRO 9 HB2 PRO 9 5.961 -6.980 -6.980 653 2HB PRO 9 HB1 PRO 9 6.243 -8.718 -8.718 654 1HG PRO 9 HG2 PRO 9 3.669 -7.279 -7.279 655 2HG PRO 9 HG1 PRO 9 4.119 -8.942 -8.942 656 1HD PRO 9 HD2 PRO 9 2.519 -8.179 -8.179 657 2HD PRO 9 HD1 PRO 9 3.287 -9.756 -9.756 658 H LYS 10 HN LYS 10 7.165 -6.332 -6.332 659 HA LYS 10 HA LYS 10 5.560 -3.825 -3.825 660 1HB LYS 10 HB2 LYS 10 7.115 -4.944 -4.944 661 2HB LYS 10 HB1 LYS 10 6.794 -3.213 -3.213 662 1HG LYS 10 HG2 LYS 10 4.574 -5.231 -5.231 663 2HG LYS 10 HG1 LYS 10 5.078 -4.664 -4.664 664 1HD LYS 10 HD2 LYS 10 4.390 -2.744 -2.744 665 2HD LYS 10 HD1 LYS 10 3.163 -3.372 -3.372 666 1HE LYS 10 HE2 LYS 10 5.621 -2.316 -2.316 667 2HE LYS 10 HE1 LYS 10 4.591 -1.119 -1.119 668 1HZ LYS 10 HZ2 LYS 10 3.577 -3.152 -3.152 669 2HZ LYS 10 HZ1 LYS 10 4.038 -1.582 -1.582 670 3HZ LYS 10 HZ3 LYS 10 2.745 -1.804 -1.804 671 H THR 11 HN THR 11 8.639 -5.300 -5.300 672 HA THR 11 HA THR 11 10.633 -4.486 -4.486 673 HB THR 11 HB THR 11 10.523 -2.732 -2.732 674 HG1 THR 11 HG1 THR 11 9.824 -0.903 -0.903 675 1HG2 THR 11 HG23 THR 11 8.744 -4.574 -4.574 676 2HG2 THR 11 HG22 THR 11 7.578 -3.353 -3.353 677 3HG2 THR 11 HG21 THR 11 8.555 -3.093 -3.093 678 H TYR 12 HN TYR 12 12.400 -3.035 -3.035 679 HA TYR 12 HA TYR 12 12.183 -0.819 -0.819 680 1HB TYR 12 HB2 TYR 12 11.509 -2.672 -2.672 681 2HB TYR 12 HB1 TYR 12 13.098 -3.396 -3.396 682 HD1 TYR 12 HD2 TYR 12 11.569 -0.077 -0.077 683 HD2 TYR 12 HD1 TYR 12 14.807 -2.831 -2.831 684 HE1 TYR 12 HE2 TYR 12 12.529 1.434 1.434 685 HE2 TYR 12 HE1 TYR 12 15.767 -1.321 -1.321 686 HH TYR 12 HH TYR 12 15.036 0.456 0.456 687 H LYS 13 HN LYS 13 13.608 -1.421 -1.421 688 HA LYS 13 HA LYS 13 16.427 -1.801 -1.801 689 1HB LYS 13 HB2 LYS 13 14.968 -1.959 -1.959 690 2HB LYS 13 HB1 LYS 13 16.690 -1.578 -1.578 691 1HG LYS 13 HG2 LYS 13 16.176 -3.773 -3.773 692 2HG LYS 13 HG1 LYS 13 15.511 -4.140 -4.140 693 1HD LYS 13 HD2 LYS 13 18.232 -2.937 -2.937 694 2HD LYS 13 HD1 LYS 13 18.092 -4.596 -4.596 695 1HE LYS 13 HE2 LYS 13 17.113 -5.328 -5.328 696 2HE LYS 13 HE1 LYS 13 16.930 -3.668 -3.668 697 1HZ LYS 13 HZ2 LYS 13 19.539 -4.951 -4.951 698 2HZ LYS 13 HZ1 LYS 13 18.870 -4.834 -4.834 699 3HZ LYS 13 HZ3 LYS 13 19.292 -3.427 -3.427 700 H ARG 14 HN ARG 14 18.056 -0.256 -0.256 701 HA ARG 14 HA ARG 14 17.090 2.512 2.512 702 1HB ARG 14 HB2 ARG 14 19.205 1.673 1.673 703 2HB ARG 14 HB1 ARG 14 19.916 1.547 1.547 704 1HG ARG 14 HG2 ARG 14 19.123 4.037 4.037 705 2HG ARG 14 HG1 ARG 14 19.098 4.009 4.009 706 1HD ARG 14 HD2 ARG 14 21.445 3.304 3.304 707 2HD ARG 14 HD1 ARG 14 21.482 3.247 3.247 708 HE ARG 14 HE ARG 14 20.686 5.856 5.856 709 1HH1 ARG 14 HH11 ARG 14 22.075 6.132 6.132 710 2HH1 ARG 14 HH12 ARG 14 23.738 6.362 6.362 711 1HH2 ARG 14 HH21 ARG 14 23.365 5.119 5.119 712 2HH2 ARG 14 HH22 ARG 14 24.469 5.787 5.787 713 H GLU 15 HN GLU 15 15.963 2.947 2.947 714 HA GLU 15 HA GLU 15 17.629 2.896 2.896 715 1HB GLU 15 HB2 GLU 15 15.015 1.828 1.828 716 2HB GLU 15 HB1 GLU 15 14.834 3.167 3.167 717 1HG GLU 15 HG2 GLU 15 15.318 1.499 1.499 718 2HG GLU 15 HG1 GLU 15 16.968 1.985 1.985 Start of MODEL 16 1 1H GLY -8 HT1 GLY -8 10.894 -8.241 -8.241 2 2H GLY -8 HT3 GLY -8 10.390 -9.493 -9.493 3 3H GLY -8 HT2 GLY -8 9.248 -8.645 -8.645 4 1HA GLY -8 HA1 GLY -8 9.102 -7.377 -7.377 5 2HA GLY -8 HA2 GLY -8 10.485 -8.029 -8.029 6 H SER -7 HN SER -7 9.065 -6.268 -6.268 7 HA SER -7 HA SER -7 10.048 -3.658 -3.658 8 1HB SER -7 HB2 SER -7 10.523 -2.968 -2.968 9 2HB SER -7 HB1 SER -7 11.460 -4.393 -4.393 10 HG SER -7 HG SER -7 10.238 -5.605 -5.605 11 H ARG -6 HN ARG -6 8.864 -1.788 -1.788 12 HA ARG -6 HA ARG -6 6.025 -2.554 -2.554 13 1HB ARG -6 HB2 ARG -6 7.111 -0.630 -0.630 14 2HB ARG -6 HB1 ARG -6 5.619 -0.194 -0.194 15 1HG ARG -6 HG2 ARG -6 4.576 -2.294 -2.294 16 2HG ARG -6 HG1 ARG -6 6.082 -2.818 -2.818 17 1HD ARG -6 HD2 ARG -6 4.629 -1.938 -1.938 18 2HD ARG -6 HD1 ARG -6 5.959 -0.805 -0.805 19 HE ARG -6 HE ARG -6 3.396 -0.312 -0.312 20 1HH1 ARG -6 HH21 ARG -6 4.303 2.055 2.055 21 2HH1 ARG -6 HH22 ARG -6 4.351 2.978 2.978 22 1HH2 ARG -6 HH11 ARG -6 4.082 0.208 0.208 23 2HH2 ARG -6 HH12 ARG -6 4.225 1.933 1.933 24 H ARG -5 HN ARG -5 6.654 -2.279 -2.279 25 HA ARG -5 HA ARG -5 6.846 0.608 0.608 26 1HB ARG -5 HB2 ARG -5 8.055 -1.739 -1.739 27 2HB ARG -5 HB1 ARG -5 8.221 -0.031 -0.031 28 1HG ARG -5 HG2 ARG -5 9.310 0.331 0.331 29 2HG ARG -5 HG1 ARG -5 9.277 -1.415 -1.415 30 1HD ARG -5 HD2 ARG -5 11.398 -1.146 -1.146 31 2HD ARG -5 HD1 ARG -5 10.445 -1.459 -1.459 32 HE ARG -5 HE ARG -5 10.534 1.369 1.369 33 1HH1 ARG -5 HH11 ARG -5 10.723 0.759 0.759 34 2HH1 ARG -5 HH12 ARG -5 12.414 0.819 0.819 35 1HH2 ARG -5 HH21 ARG -5 13.423 0.563 0.563 36 2HH2 ARG -5 HH22 ARG -5 13.942 0.709 0.709 37 H ALA -4 HN ALA -4 4.483 -1.180 -1.180 38 HA ALA -4 HA ALA -4 3.505 -1.165 -1.165 39 1HB ALA -4 HB3 ALA -4 2.849 -3.000 -3.000 40 2HB ALA -4 HB2 ALA -4 1.824 -2.889 -2.889 41 3HB ALA -4 HB1 ALA -4 3.494 -3.436 -3.436 42 H SER -3 HN SER -3 1.964 -1.281 -1.281 43 HA SER -3 HA SER -3 0.821 1.372 1.372 44 1HB SER -3 HB2 SER -3 -1.531 0.672 0.672 45 2HB SER -3 HB1 SER -3 -0.581 0.186 0.186 46 HG SER -3 HG SER -3 -0.982 -1.816 -1.816 47 H VAL -2 HN VAL -2 -1.046 1.556 1.556 48 HA VAL -2 HA VAL -2 0.094 0.623 0.623 49 HB VAL -2 HB VAL -2 -1.892 1.766 1.766 50 1HG1 VAL -2 HG13 VAL -2 -0.013 3.038 3.038 51 2HG1 VAL -2 HG12 VAL -2 -1.350 4.032 4.032 52 3HG1 VAL -2 HG11 VAL -2 -0.215 3.322 3.322 53 1HG2 VAL -2 HG23 VAL -2 -3.183 1.178 1.178 54 2HG2 VAL -2 HG22 VAL -2 -3.668 2.515 2.515 55 3HG2 VAL -2 HG21 VAL -2 -2.669 2.822 2.822 56 H GLY -1 HN GLY -1 -1.948 -0.137 -0.137 57 1HA GLY -1 HA2 GLY -1 -4.001 -1.772 -1.772 58 2HA GLY -1 HA1 GLY -1 -2.638 -2.798 -2.798 59 H SER 0 HN SER 0 -3.978 -0.945 -0.945 60 HA SER 0 HA SER 0 -2.287 -2.383 -2.383 61 1HB SER 0 HB2 SER 0 -3.921 -1.166 -1.166 62 2HB SER 0 HB1 SER 0 -2.759 -0.203 -0.203 63 HG SER 0 HG SER 0 -5.419 -0.747 -0.747 64 H MET 1 HN MET 1 -3.146 -3.813 -3.813 65 HA MET 1 HA MET 1 -5.631 -5.207 -5.207 66 1HB MET 1 HB2 MET 1 -3.079 -6.149 -6.149 67 2HB MET 1 HB1 MET 1 -4.562 -7.004 -7.004 68 1HG MET 1 HG2 MET 1 -4.920 -7.772 -7.772 69 2HG MET 1 HG1 MET 1 -4.145 -6.381 -6.381 70 1HE MET 1 HE1 MET 1 -2.043 -6.108 -6.108 71 2HE MET 1 HE3 MET 1 -1.221 -6.062 -6.062 72 3HE MET 1 HE2 MET 1 -0.605 -7.090 -7.090 73 H GLU 2 HN GLU 2 -6.381 -6.553 -6.553 74 HA GLU 2 HA GLU 2 -6.737 -4.376 -4.376 75 1HB GLU 2 HB2 GLU 2 -8.672 -5.580 -5.580 76 2HB GLU 2 HB1 GLU 2 -8.875 -6.349 -6.349 77 1HG GLU 2 HG2 GLU 2 -9.344 -4.313 -4.313 78 2HG GLU 2 HG1 GLU 2 -8.604 -3.361 -3.361 79 H ALA 3 HN ALA 3 -7.668 -5.510 -5.510 80 HA ALA 3 HA ALA 3 -6.694 -8.185 -8.185 81 1HB ALA 3 HB2 ALA 3 -5.227 -5.785 -5.785 82 2HB ALA 3 HB1 ALA 3 -5.391 -7.111 -7.111 83 3HB ALA 3 HB3 ALA 3 -4.633 -7.398 -7.398 84 H ILE 4 HN ILE 4 -8.276 -8.997 -8.997 85 HA ILE 4 HA ILE 4 -10.339 -7.555 -7.555 86 HB ILE 4 HB ILE 4 -10.659 -9.767 -9.767 87 1HG1 ILE 4 HG12 ILE 4 -11.039 -10.411 -10.411 88 2HG1 ILE 4 HG11 ILE 4 -11.632 -8.810 -8.810 89 1HG2 ILE 4 HG22 ILE 4 -8.236 -10.382 -10.382 90 2HG2 ILE 4 HG21 ILE 4 -9.245 -11.067 -11.067 91 3HG2 ILE 4 HG23 ILE 4 -9.449 -11.598 -11.598 92 1HD1 ILE 4 HD12 ILE 4 -12.238 -11.135 -11.135 93 2HD1 ILE 4 HD11 ILE 4 -13.171 -10.895 -10.895 94 3HD1 ILE 4 HD13 ILE 4 -13.142 -9.642 -9.642 95 H ALA 5 HN ALA 5 -10.405 -6.570 -6.570 96 HA ALA 5 HA ALA 5 -8.293 -6.829 -6.829 97 1HB ALA 5 HB2 ALA 5 -10.940 -5.401 -5.401 98 2HB ALA 5 HB1 ALA 5 -10.157 -5.636 -5.636 99 3HB ALA 5 HB3 ALA 5 -9.332 -4.735 -4.735 100 H LYS 6 HN LYS 6 -8.227 -8.973 -8.973 101 HA LYS 6 HA LYS 6 -10.306 -10.787 -10.787 102 1HB LYS 6 HB2 LYS 6 -7.771 -10.567 -10.567 103 2HB LYS 6 HB1 LYS 6 -8.803 -11.994 -11.994 104 1HG LYS 6 HG2 LYS 6 -8.373 -12.217 -12.217 105 2HG LYS 6 HG1 LYS 6 -7.499 -10.688 -10.688 106 1HD LYS 6 HD2 LYS 6 -5.869 -12.452 -12.452 107 2HD LYS 6 HD1 LYS 6 -5.869 -11.672 -11.672 108 1HE LYS 6 HE2 LYS 6 -6.746 -13.510 -13.510 109 2HE LYS 6 HE1 LYS 6 -7.764 -13.937 -13.937 110 1HZ LYS 6 HZ3 LYS 6 -5.598 -14.551 -14.551 111 2HZ LYS 6 HZ2 LYS 6 -4.889 -14.495 -14.495 112 3HZ LYS 6 HZ1 LYS 6 -6.146 -15.592 -15.592 113 H TYR 7 HN TYR 7 -9.269 -8.244 -8.244 114 HA TYR 7 HA TYR 7 -11.700 -8.716 -8.716 115 1HB TYR 7 HB2 TYR 7 -9.040 -8.579 -8.579 116 2HB TYR 7 HB1 TYR 7 -10.599 -9.085 -9.085 117 HD1 TYR 7 HD1 TYR 7 -11.590 -11.296 -11.296 118 HD2 TYR 7 HD2 TYR 7 -7.612 -10.089 -10.089 119 HE1 TYR 7 HE1 TYR 7 -11.037 -13.641 -13.641 120 HE2 TYR 7 HE2 TYR 7 -7.042 -12.411 -12.411 121 HH TYR 7 HH TYR 7 -7.926 -14.751 -14.751 122 H ASP 8 HN ASP 8 -11.366 -7.129 -7.129 123 HA ASP 8 HA ASP 8 -11.311 -4.500 -4.500 124 1HB ASP 8 HB2 ASP 8 -12.280 -3.737 -3.737 125 2HB ASP 8 HB1 ASP 8 -13.038 -5.275 -5.275 126 H PHE 9 HN PHE 9 -10.126 -2.699 -2.699 127 HA PHE 9 HA PHE 9 -7.978 -2.928 -2.928 128 1HB PHE 9 HB2 PHE 9 -7.324 -4.282 -4.282 129 2HB PHE 9 HB1 PHE 9 -6.674 -2.679 -2.679 130 HD1 PHE 9 HD1 PHE 9 -6.998 -4.809 -4.809 131 HD2 PHE 9 HD2 PHE 9 -4.416 -2.518 -2.518 132 HE1 PHE 9 HE1 PHE 9 -5.081 -5.277 -5.277 133 HE2 PHE 9 HE2 PHE 9 -2.501 -2.973 -2.973 134 HZ PHE 9 HZ PHE 9 -2.835 -4.350 -4.350 135 H LYS 10 HN LYS 10 -6.311 -1.025 -1.025 136 HA LYS 10 HA LYS 10 -7.635 1.214 1.214 137 1HB LYS 10 HB2 LYS 10 -7.701 2.681 2.681 138 2HB LYS 10 HB1 LYS 10 -8.295 1.158 1.158 139 1HG LYS 10 HG2 LYS 10 -5.445 2.189 2.189 140 2HG LYS 10 HG1 LYS 10 -6.653 2.193 2.193 141 1HD LYS 10 HD2 LYS 10 -6.808 -0.384 -0.384 142 2HD LYS 10 HD1 LYS 10 -5.204 -0.132 -0.132 143 1HE LYS 10 HE2 LYS 10 -4.662 1.070 1.070 144 2HE LYS 10 HE1 LYS 10 -6.103 0.260 0.260 145 1HZ LYS 10 HZ3 LYS 10 -4.012 -1.256 -1.256 146 2HZ LYS 10 HZ2 LYS 10 -3.852 -0.911 -0.911 147 3HZ LYS 10 HZ1 LYS 10 -5.174 -1.821 -1.821 148 H ALA 11 HN ALA 11 -6.183 3.142 3.142 149 HA ALA 11 HA ALA 11 -3.616 2.233 2.233 150 1HB ALA 11 HB2 ALA 11 -5.071 4.830 4.830 151 2HB ALA 11 HB1 ALA 11 -3.312 4.871 4.871 152 3HB ALA 11 HB3 ALA 11 -4.310 3.996 3.996 153 H THR 12 HN THR 12 -1.668 2.351 2.351 154 HA THR 12 HA THR 12 -1.857 3.584 3.584 155 HB THR 12 HB THR 12 -1.556 1.182 1.182 156 HG1 THR 12 HG1 THR 12 0.215 1.226 1.226 157 1HG2 THR 12 HG23 THR 12 0.704 1.673 1.673 158 2HG2 THR 12 HG22 THR 12 0.565 0.189 0.189 159 3HG2 THR 12 HG21 THR 12 -0.697 0.622 0.622 160 H ALA 13 HN ALA 13 -1.228 5.265 5.265 161 HA ALA 13 HA ALA 13 1.193 6.496 6.496 162 1HB ALA 13 HB3 ALA 13 1.480 4.486 4.486 163 2HB ALA 13 HB2 ALA 13 2.367 6.005 6.005 164 3HB ALA 13 HB1 ALA 13 2.634 4.956 4.956 165 H ASP 14 HN ASP 14 1.962 8.058 8.058 166 HA ASP 14 HA ASP 14 -0.361 9.542 9.542 167 1HB ASP 14 HB2 ASP 14 1.914 10.319 10.319 168 2HB ASP 14 HB1 ASP 14 2.468 10.156 10.156 169 H ASP 15 HN ASP 15 1.246 6.973 6.973 170 HA ASP 15 HA ASP 15 0.284 7.725 7.725 171 1HB ASP 15 HB2 ASP 15 3.059 6.995 6.995 172 2HB ASP 15 HB1 ASP 15 2.445 6.390 6.390 173 H GLU 16 HN GLU 16 -0.700 5.935 5.935 174 HA GLU 16 HA GLU 16 -0.370 3.280 3.280 175 1HB GLU 16 HB2 GLU 16 -0.083 3.801 3.801 176 2HB GLU 16 HB1 GLU 16 -1.830 3.651 3.651 177 1HG GLU 16 HG2 GLU 16 -1.679 1.421 1.421 178 2HG GLU 16 HG1 GLU 16 -0.760 1.508 1.508 179 H LEU 17 HN LEU 17 -2.558 1.953 1.953 180 HA LEU 17 HA LEU 17 -4.750 3.721 3.721 181 1HB LEU 17 HB2 LEU 17 -3.401 1.768 1.768 182 2HB LEU 17 HB1 LEU 17 -4.904 0.981 0.981 183 HG LEU 17 HG LEU 17 -4.848 3.738 3.738 184 1HD1 LEU 17 HD11 LEU 17 -4.817 1.005 1.005 185 2HD1 LEU 17 HD13 LEU 17 -5.637 2.354 2.354 186 3HD1 LEU 17 HD12 LEU 17 -3.911 2.451 2.451 187 1HD2 LEU 17 HD23 LEU 17 -6.881 2.999 2.999 188 2HD2 LEU 17 HD22 LEU 17 -7.195 3.239 3.239 189 3HD2 LEU 17 HD21 LEU 17 -7.000 1.608 1.608 190 H SER 18 HN SER 18 -6.691 3.541 3.541 191 HA SER 18 HA SER 18 -7.084 1.504 1.504 192 1HB SER 18 HB2 SER 18 -8.935 2.977 2.977 193 2HB SER 18 HB1 SER 18 -7.467 3.885 3.885 194 HG SER 18 HG SER 18 -9.694 3.868 3.868 195 H PHE 19 HN PHE 19 -9.130 0.260 0.260 196 HA PHE 19 HA PHE 19 -11.008 0.397 0.397 197 1HB PHE 19 HB2 PHE 19 -10.347 -1.615 -1.615 198 2HB PHE 19 HB1 PHE 19 -9.127 -0.350 -0.350 199 HD1 PHE 19 HD1 PHE 19 -10.016 -3.501 -3.501 200 HD2 PHE 19 HD2 PHE 19 -6.907 -0.716 -0.716 201 HE1 PHE 19 HE1 PHE 19 -8.314 -5.073 -5.073 202 HE2 PHE 19 HE2 PHE 19 -5.208 -2.286 -2.286 203 HZ PHE 19 HZ PHE 19 -5.912 -4.467 -4.467 204 H LYS 20 HN LYS 20 -12.395 -1.659 -1.659 205 HA LYS 20 HA LYS 20 -12.432 -2.930 -2.930 206 1HB LYS 20 HB2 LYS 20 -14.752 -2.362 -2.362 207 2HB LYS 20 HB1 LYS 20 -14.858 -3.050 -3.050 208 1HG LYS 20 HG2 LYS 20 -13.575 -0.380 -0.380 209 2HG LYS 20 HG1 LYS 20 -15.298 -0.543 -0.543 210 1HD LYS 20 HD2 LYS 20 -14.962 -1.129 -1.129 211 2HD LYS 20 HD1 LYS 20 -13.425 -1.926 -1.926 212 1HE LYS 20 HE2 LYS 20 -12.929 0.075 0.075 213 2HE LYS 20 HE1 LYS 20 -12.434 0.359 0.359 214 1HZ LYS 20 HZ3 LYS 20 -15.088 1.149 1.149 215 2HZ LYS 20 HZ2 LYS 20 -13.744 2.189 2.189 216 3HZ LYS 20 HZ1 LYS 20 -14.375 1.613 1.613 217 H ARG 21 HN ARG 21 -14.003 -4.963 -4.963 218 HA ARG 21 HA ARG 21 -12.588 -6.863 -6.863 219 1HB ARG 21 HB2 ARG 21 -13.712 -7.290 -7.290 220 2HB ARG 21 HB1 ARG 21 -15.258 -7.204 -7.204 221 1HG ARG 21 HG2 ARG 21 -14.875 -9.172 -9.172 222 2HG ARG 21 HG1 ARG 21 -13.120 -9.014 -9.014 223 1HD ARG 21 HD2 ARG 21 -13.041 -10.123 -10.123 224 2HD ARG 21 HD1 ARG 21 -14.375 -9.184 -9.184 225 HE ARG 21 HE ARG 21 -15.042 -11.336 -11.336 226 1HH1 ARG 21 HH11 ARG 21 -16.850 -9.795 -9.795 227 2HH1 ARG 21 HH12 ARG 21 -17.157 -11.050 -11.050 228 1HH2 ARG 21 HH21 ARG 21 -14.609 -13.099 -13.099 229 2HH2 ARG 21 HH22 ARG 21 -15.887 -12.919 -12.919 230 H GLY 22 HN GLY 22 -12.849 -6.664 -6.664 231 1HA GLY 22 HA2 GLY 22 -14.385 -7.472 -7.472 232 2HA GLY 22 HA1 GLY 22 -15.649 -6.519 -6.519 233 H ASP 23 HN ASP 23 -13.054 -4.579 -4.579 234 HA ASP 23 HA ASP 23 -13.759 -2.918 -2.918 235 1HB ASP 23 HB2 ASP 23 -12.318 -2.701 -2.701 236 2HB ASP 23 HB1 ASP 23 -11.593 -1.794 -1.794 237 H ILE 24 HN ILE 24 -12.991 -4.210 -4.210 238 HA ILE 24 HA ILE 24 -10.258 -5.140 -5.140 239 HB ILE 24 HB ILE 24 -11.912 -4.632 -4.632 240 1HG1 ILE 24 HG12 ILE 24 -12.181 -6.818 -6.818 241 2HG1 ILE 24 HG11 ILE 24 -13.456 -5.807 -5.807 242 1HG2 ILE 24 HG22 ILE 24 -9.373 -5.499 -5.499 243 2HG2 ILE 24 HG21 ILE 24 -10.205 -7.036 -7.036 244 3HG2 ILE 24 HG23 ILE 24 -10.410 -6.085 -6.085 245 1HD1 ILE 24 HD13 ILE 24 -12.455 -7.047 -7.047 246 2HD1 ILE 24 HD12 ILE 24 -12.316 -8.308 -8.308 247 3HD1 ILE 24 HD11 ILE 24 -13.883 -7.571 -7.571 248 H LEU 25 HN LEU 25 -8.527 -4.000 -4.000 249 HA LEU 25 HA LEU 25 -8.733 -1.161 -1.161 250 1HB LEU 25 HB2 LEU 25 -6.307 -2.793 -2.793 251 2HB LEU 25 HB1 LEU 25 -6.437 -1.033 -1.033 252 HG LEU 25 HG LEU 25 -8.570 -1.617 -1.617 253 1HD1 LEU 25 HD11 LEU 25 -6.730 -3.967 -3.967 254 2HD1 LEU 25 HD13 LEU 25 -7.423 -3.390 -3.390 255 3HD1 LEU 25 HD12 LEU 25 -8.483 -3.907 -3.907 256 1HD2 LEU 25 HD21 LEU 25 -5.677 -1.389 -1.389 257 2HD2 LEU 25 HD23 LEU 25 -6.804 -0.059 -0.059 258 3HD2 LEU 25 HD22 LEU 25 -7.060 -1.180 -1.180 259 H LYS 26 HN LYS 26 -6.952 -0.258 -0.258 260 HA LYS 26 HA LYS 26 -6.718 -2.064 -2.064 261 1HB LYS 26 HB2 LYS 26 -7.943 0.331 0.331 262 2HB LYS 26 HB1 LYS 26 -6.297 0.878 0.878 263 1HG LYS 26 HG2 LYS 26 -6.158 -0.583 -0.583 264 2HG LYS 26 HG1 LYS 26 -7.768 -1.220 -1.220 265 1HD LYS 26 HD2 LYS 26 -7.204 1.714 1.714 266 2HD LYS 26 HD1 LYS 26 -7.717 0.589 0.589 267 1HE LYS 26 HE2 LYS 26 -9.249 1.269 1.269 268 2HE LYS 26 HE1 LYS 26 -9.671 1.759 1.759 269 1HZ LYS 26 HZ3 LYS 26 -9.575 -0.791 -0.791 270 2HZ LYS 26 HZ2 LYS 26 -9.832 -0.893 -0.893 271 3HZ LYS 26 HZ1 LYS 26 -10.960 -0.096 -0.096 272 H VAL 27 HN VAL 27 -4.668 -2.991 -2.991 273 HA VAL 27 HA VAL 27 -2.444 -1.717 -1.717 274 HB VAL 27 HB VAL 27 -2.350 -3.872 -3.872 275 1HG1 VAL 27 HG11 VAL 27 -0.254 -2.431 -2.431 276 2HG1 VAL 27 HG13 VAL 27 -0.355 -3.758 -3.758 277 3HG1 VAL 27 HG12 VAL 27 -0.121 -4.101 -4.101 278 1HG2 VAL 27 HG21 VAL 27 -3.784 -4.215 -4.215 279 2HG2 VAL 27 HG23 VAL 27 -2.616 -5.462 -5.462 280 3HG2 VAL 27 HG22 VAL 27 -2.230 -4.292 -4.292 281 H LEU 28 HN LEU 28 -1.664 0.162 0.162 282 HA LEU 28 HA LEU 28 -1.577 0.933 0.933 283 1HB LEU 28 HB2 LEU 28 -0.242 2.560 2.560 284 2HB LEU 28 HB1 LEU 28 -1.093 3.109 3.109 285 HG LEU 28 HG LEU 28 -2.914 1.725 1.725 286 1HD1 LEU 28 HD11 LEU 28 -1.249 4.001 4.001 287 2HD1 LEU 28 HD13 LEU 28 -2.837 3.595 3.595 288 3HD1 LEU 28 HD12 LEU 28 -1.527 2.420 2.420 289 1HD2 LEU 28 HD22 LEU 28 -2.991 3.752 3.752 290 2HD2 LEU 28 HD21 LEU 28 -4.315 3.316 3.316 291 3HD2 LEU 28 HD23 LEU 28 -3.217 4.623 4.623 292 H ASN 29 HN ASN 29 0.531 -0.112 -0.112 293 HA ASN 29 HA ASN 29 2.671 -0.609 -0.609 294 1HB ASN 29 HB2 ASN 29 2.698 1.845 1.845 295 2HB ASN 29 HB1 ASN 29 3.641 0.925 0.925 296 1HD2 ASN 29 HD22 ASN 29 6.293 1.879 1.879 297 2HD2 ASN 29 HD21 ASN 29 5.462 2.387 2.387 298 H GLU 30 HN GLU 30 3.951 -2.307 -2.307 299 HA GLU 30 HA GLU 30 3.480 -3.467 -3.467 300 1HB GLU 30 HB2 GLU 30 4.650 -4.817 -4.817 301 2HB GLU 30 HB1 GLU 30 4.185 -5.603 -5.603 302 1HG GLU 30 HG2 GLU 30 1.890 -5.315 -5.315 303 2HG GLU 30 HG1 GLU 30 2.165 -4.017 -4.017 304 H GLU 31 HN GLU 31 5.077 -1.374 -1.374 305 HA GLU 31 HA GLU 31 7.893 -2.368 -2.368 306 1HB GLU 31 HB2 GLU 31 6.798 0.453 0.453 307 2HB GLU 31 HB1 GLU 31 8.509 0.028 0.028 308 1HG GLU 31 HG2 GLU 31 6.569 -0.774 -0.774 309 2HG GLU 31 HG1 GLU 31 7.506 0.721 0.721 310 H CYS 32 HN CYS 32 9.108 -0.881 -0.881 311 HA CYS 32 HA CYS 32 9.510 -0.691 -0.691 312 1HB CYS 32 HB2 CYS 32 6.493 -0.831 -0.831 313 2HB CYS 32 HB1 CYS 32 7.638 -0.175 -0.175 314 HG CYS 32 HG CYS 32 8.039 1.357 1.357 315 H ASP 33 HN ASP 33 8.307 -1.907 -1.907 316 HA ASP 33 HA ASP 33 9.377 -4.370 -4.370 317 1HB ASP 33 HB2 ASP 33 7.855 -2.943 -2.943 318 2HB ASP 33 HB1 ASP 33 6.649 -4.102 -4.102 319 H GLN 34 HN GLN 34 8.706 -6.520 -6.520 320 HA GLN 34 HA GLN 34 6.907 -6.961 -6.961 321 1HB GLN 34 HB2 GLN 34 9.309 -8.044 -8.044 322 2HB GLN 34 HB1 GLN 34 8.329 -9.222 -9.222 323 1HG GLN 34 HG2 GLN 34 7.677 -10.176 -10.176 324 2HG GLN 34 HG1 GLN 34 7.056 -8.635 -8.635 325 1HE2 GLN 34 HE22 GLN 34 10.966 -9.559 -9.559 326 2HE2 GLN 34 HE21 GLN 34 10.333 -10.081 -10.081 327 H ASN 35 HN ASN 35 6.103 -6.323 -6.323 328 HA ASN 35 HA ASN 35 4.373 -8.676 -8.676 329 1HB ASN 35 HB2 ASN 35 5.638 -6.821 -6.821 330 2HB ASN 35 HB1 ASN 35 4.279 -7.871 -7.871 331 1HD2 ASN 35 HD22 ASN 35 6.332 -10.873 -10.873 332 2HD2 ASN 35 HD21 ASN 35 4.843 -10.249 -10.249 333 H TRP 36 HN TRP 36 4.512 -5.245 -5.245 334 HA TRP 36 HA TRP 36 1.519 -5.211 -5.211 335 1HB TRP 36 HB2 TRP 36 3.332 -2.830 -2.830 336 2HB TRP 36 HB1 TRP 36 1.579 -2.882 -2.882 337 HD1 TRP 36 HD1 TRP 36 4.399 -5.255 -5.255 338 HE1 TRP 36 HE1 TRP 36 4.096 -5.496 -5.496 339 HE3 TRP 36 HE3 TRP 36 0.333 -2.167 -2.167 340 HZ2 TRP 36 HZ2 TRP 36 2.471 -4.522 -4.522 341 HZ3 TRP 36 HZ3 TRP 36 -0.499 -1.836 -1.836 342 HH2 TRP 36 HH2 TRP 36 0.546 -3.016 -3.016 343 H TYR 37 HN TYR 37 0.432 -4.244 -4.244 344 HA TYR 37 HA TYR 37 2.105 -3.631 -3.631 345 1HB TYR 37 HB2 TYR 37 -0.879 -4.075 -4.075 346 2HB TYR 37 HB1 TYR 37 -0.038 -3.770 -3.770 347 HD1 TYR 37 HD2 TYR 37 2.333 -5.440 -5.440 348 HD2 TYR 37 HD1 TYR 37 -1.643 -6.230 -6.230 349 HE1 TYR 37 HE2 TYR 37 2.713 -7.876 -7.876 350 HE2 TYR 37 HE1 TYR 37 -1.278 -8.653 -8.653 351 HH TYR 37 HH TYR 37 1.849 -9.978 -9.978 352 H LYS 38 HN LYS 38 1.632 -1.757 -1.757 353 HA LYS 38 HA LYS 38 0.473 0.521 0.521 354 1HB LYS 38 HB2 LYS 38 2.687 0.802 0.802 355 2HB LYS 38 HB1 LYS 38 1.815 0.557 0.557 356 1HG LYS 38 HG2 LYS 38 0.247 2.441 2.441 357 2HG LYS 38 HG1 LYS 38 1.854 2.898 2.898 358 1HD LYS 38 HD2 LYS 38 2.117 2.294 2.294 359 2HD LYS 38 HD1 LYS 38 0.673 3.297 3.297 360 1HE LYS 38 HE2 LYS 38 2.101 4.824 4.824 361 2HE LYS 38 HE1 LYS 38 3.491 3.938 3.938 362 1HZ LYS 38 HZ3 LYS 38 2.431 4.459 4.459 363 2HZ LYS 38 HZ2 LYS 38 1.600 5.680 5.680 364 3HZ LYS 38 HZ1 LYS 38 3.299 5.677 5.677 365 H ALA 39 HN ALA 39 -1.600 1.192 1.192 366 HA ALA 39 HA ALA 39 -2.740 0.631 0.631 367 1HB ALA 39 HB1 ALA 39 -2.918 -1.536 -1.536 368 2HB ALA 39 HB3 ALA 39 -3.836 -0.745 -0.745 369 3HB ALA 39 HB2 ALA 39 -4.502 -0.836 -0.836 370 H GLU 40 HN GLU 40 -5.295 0.905 0.905 371 HA GLU 40 HA GLU 40 -5.741 3.211 3.211 372 1HB GLU 40 HB2 GLU 40 -5.382 4.748 4.748 373 2HB GLU 40 HB1 GLU 40 -4.735 3.474 3.474 374 1HG GLU 40 HG2 GLU 40 -6.947 3.153 3.153 375 2HG GLU 40 HG1 GLU 40 -7.662 4.323 4.323 376 H LEU 41 HN LEU 41 -7.677 3.379 3.379 377 HA LEU 41 HA LEU 41 -9.785 1.657 1.657 378 1HB LEU 41 HB2 LEU 41 -9.269 2.674 2.674 379 2HB LEU 41 HB1 LEU 41 -10.958 2.442 2.442 380 HG LEU 41 HG LEU 41 -8.933 0.340 0.340 381 1HD1 LEU 41 HD11 LEU 41 -10.234 0.982 0.982 382 2HD1 LEU 41 HD13 LEU 41 -9.834 -0.686 -0.686 383 3HD1 LEU 41 HD12 LEU 41 -8.560 0.530 0.530 384 1HD2 LEU 41 HD23 LEU 41 -11.275 0.402 0.402 385 2HD2 LEU 41 HD22 LEU 41 -10.886 -1.062 -1.062 386 3HD2 LEU 41 HD21 LEU 41 -11.869 0.203 0.203 387 H ASN 42 HN ASN 42 -10.550 2.700 2.700 388 HA ASN 42 HA ASN 42 -11.708 4.337 4.337 389 1HB ASN 42 HB2 ASN 42 -13.039 3.849 3.849 390 2HB ASN 42 HB1 ASN 42 -13.647 5.187 5.187 391 1HD2 ASN 42 HD22 ASN 42 -14.596 2.963 2.963 392 2HD2 ASN 42 HD21 ASN 42 -13.872 4.478 4.478 393 H GLY 43 HN GLY 43 -9.462 5.544 5.544 394 1HA GLY 43 HA2 GLY 43 -9.393 8.148 8.148 395 2HA GLY 43 HA1 GLY 43 -10.580 8.202 8.202 396 H LYS 44 HN LYS 44 -9.291 6.147 6.147 397 HA LYS 44 HA LYS 44 -7.166 7.765 7.765 398 1HB LYS 44 HB2 LYS 44 -8.837 5.481 5.481 399 2HB LYS 44 HB1 LYS 44 -7.229 5.719 5.719 400 1HG LYS 44 HG2 LYS 44 -8.239 7.177 7.177 401 2HG LYS 44 HG1 LYS 44 -8.181 8.274 8.274 402 1HD LYS 44 HD2 LYS 44 -10.488 6.373 6.373 403 2HD LYS 44 HD1 LYS 44 -10.470 8.048 8.048 404 1HE LYS 44 HE2 LYS 44 -9.829 8.478 8.478 405 2HE LYS 44 HE1 LYS 44 -10.721 6.971 6.971 406 1HZ LYS 44 HZ3 LYS 44 -11.729 9.380 9.380 407 2HZ LYS 44 HZ2 LYS 44 -12.165 8.910 8.910 408 3HZ LYS 44 HZ1 LYS 44 -12.585 7.938 7.938 409 H ASP 45 HN ASP 45 -5.294 6.429 6.429 410 HA ASP 45 HA ASP 45 -4.625 4.143 4.143 411 1HB ASP 45 HB2 ASP 45 -3.357 4.997 4.997 412 2HB ASP 45 HB1 ASP 45 -4.478 6.325 6.325 413 H GLY 46 HN GLY 46 -2.088 3.773 3.773 414 1HA GLY 46 HA2 GLY 46 -0.142 4.448 4.448 415 2HA GLY 46 HA1 GLY 46 -1.293 4.402 4.402 416 H PHE 47 HN PHE 47 0.659 2.855 2.855 417 HA PHE 47 HA PHE 47 0.746 0.238 0.238 418 1HB PHE 47 HB2 PHE 47 1.662 1.171 1.171 419 2HB PHE 47 HB1 PHE 47 2.109 -0.354 -0.354 420 HD1 PHE 47 HD2 PHE 47 2.827 0.099 0.099 421 HD2 PHE 47 HD1 PHE 47 3.318 2.782 2.782 422 HE1 PHE 47 HE2 PHE 47 4.663 1.248 1.248 423 HE2 PHE 47 HE1 PHE 47 5.155 3.934 3.934 424 HZ PHE 47 HZ PHE 47 5.828 3.168 3.168 425 H ILE 48 HN ILE 48 0.045 -1.790 -1.790 426 HA ILE 48 HA ILE 48 -1.948 -1.571 -1.571 427 HB ILE 48 HB ILE 48 -3.488 -3.108 -3.108 428 1HG1 ILE 48 HG12 ILE 48 -2.038 -2.039 -2.039 429 2HG1 ILE 48 HG11 ILE 48 -1.574 -3.578 -3.578 430 1HG2 ILE 48 HG22 ILE 48 -3.389 -0.387 -0.387 431 2HG2 ILE 48 HG21 ILE 48 -3.364 -0.611 -0.611 432 3HG2 ILE 48 HG23 ILE 48 -4.685 -1.280 -1.280 433 1HD1 ILE 48 HD12 ILE 48 -4.258 -3.917 -3.917 434 2HD1 ILE 48 HD11 ILE 48 -4.032 -2.859 -2.859 435 3HD1 ILE 48 HD13 ILE 48 -3.176 -4.399 -4.399 436 HA PRO 49 HA PRO 49 0.388 -5.196 -5.196 437 1HB PRO 49 HB2 PRO 49 -1.244 -6.222 -6.222 438 2HB PRO 49 HB1 PRO 49 -0.049 -4.932 -4.932 439 1HG PRO 49 HG2 PRO 49 -3.038 -4.723 -4.723 440 2HG PRO 49 HG1 PRO 49 -1.916 -3.676 -3.676 441 1HD PRO 49 HD2 PRO 49 -3.017 -3.037 -3.037 442 2HD PRO 49 HD1 PRO 49 -1.589 -2.295 -2.295 443 H LYS 50 HN LYS 50 0.364 -6.656 -6.656 444 HA LYS 50 HA LYS 50 -1.731 -7.708 -7.708 445 1HB LYS 50 HB2 LYS 50 0.663 -7.864 -7.864 446 2HB LYS 50 HB1 LYS 50 0.842 -9.054 -9.054 447 1HG LYS 50 HG2 LYS 50 -0.736 -10.540 -10.540 448 2HG LYS 50 HG1 LYS 50 -0.848 -9.351 -9.351 449 1HD LYS 50 HD2 LYS 50 1.339 -9.701 -9.701 450 2HD LYS 50 HD1 LYS 50 1.876 -10.224 -10.224 451 1HE LYS 50 HE2 LYS 50 0.389 -12.287 -12.287 452 2HE LYS 50 HE1 LYS 50 0.286 -11.794 -11.794 453 1HZ LYS 50 HZ2 LYS 50 2.760 -11.760 -11.760 454 2HZ LYS 50 HZ1 LYS 50 2.734 -12.472 -12.472 455 3HZ LYS 50 HZ3 LYS 50 2.085 -13.304 -13.304 456 H ASN 51 HN ASN 51 -0.976 -8.608 -8.608 457 HA ASN 51 HA ASN 51 -1.893 -11.219 -11.219 458 1HB ASN 51 HB2 ASN 51 -1.428 -9.144 -9.144 459 2HB ASN 51 HB1 ASN 51 -2.411 -10.477 -10.477 460 1HD2 ASN 51 HD22 ASN 51 1.330 -11.543 -11.543 461 2HD2 ASN 51 HD21 ASN 51 0.401 -10.457 -10.457 462 H TYR 52 HN TYR 52 -3.531 -8.190 -8.190 463 HA TYR 52 HA TYR 52 -6.167 -9.488 -9.488 464 1HB TYR 52 HB2 TYR 52 -5.257 -6.604 -6.604 465 2HB TYR 52 HB1 TYR 52 -6.946 -7.056 -7.056 466 HD1 TYR 52 HD2 TYR 52 -3.776 -8.064 -8.064 467 HD2 TYR 52 HD1 TYR 52 -7.893 -6.960 -6.960 468 HE1 TYR 52 HE2 TYR 52 -3.669 -8.205 -8.205 469 HE2 TYR 52 HE1 TYR 52 -7.778 -7.071 -7.071 470 HH TYR 52 HH TYR 52 -5.320 -8.604 -8.604 471 H ILE 53 HN ILE 53 -4.492 -9.668 -9.668 472 HA ILE 53 HA ILE 53 -6.500 -8.643 -8.643 473 HB ILE 53 HB ILE 53 -3.873 -8.199 -8.199 474 1HG1 ILE 53 HG12 ILE 53 -3.495 -7.559 -7.559 475 2HG1 ILE 53 HG11 ILE 53 -3.134 -6.322 -6.322 476 1HG2 ILE 53 HG22 ILE 53 -5.989 -7.468 -7.468 477 2HG2 ILE 53 HG21 ILE 53 -6.187 -6.313 -6.313 478 3HG2 ILE 53 HG23 ILE 53 -4.827 -6.163 -6.163 479 1HD1 ILE 53 HD12 ILE 53 -5.879 -6.146 -6.146 480 2HD1 ILE 53 HD11 ILE 53 -4.852 -6.150 -6.150 481 3HD1 ILE 53 HD13 ILE 53 -4.594 -4.957 -4.957 482 H GLU 54 HN GLU 54 -6.281 -9.411 -9.411 483 HA GLU 54 HA GLU 54 -4.509 -11.614 -11.614 484 1HB GLU 54 HB2 GLU 54 -7.362 -11.913 -11.913 485 2HB GLU 54 HB1 GLU 54 -6.827 -12.422 -12.422 486 1HG GLU 54 HG2 GLU 54 -5.348 -14.044 -14.044 487 2HG GLU 54 HG1 GLU 54 -5.416 -13.338 -13.338 488 H MET 55 HN MET 55 -4.196 -11.805 -11.805 489 HA MET 55 HA MET 55 -4.878 -9.211 -9.211 490 1HB MET 55 HB2 MET 55 -2.989 -9.999 -9.999 491 2HB MET 55 HB1 MET 55 -2.565 -9.312 -9.312 492 1HG MET 55 HG2 MET 55 -1.899 -11.341 -11.341 493 2HG MET 55 HG1 MET 55 -2.993 -12.264 -12.264 494 1HE MET 55 HE3 MET 55 -0.271 -13.349 -13.349 495 2HE MET 55 HE2 MET 55 -1.335 -14.055 -14.055 496 3HE MET 55 HE1 MET 55 0.352 -13.735 -13.735 497 H LYS 56 HN LYS 56 -6.541 -9.262 -9.262 498 HA LYS 56 HA LYS 56 -7.125 -11.674 -11.674 499 1HB LYS 56 HB2 LYS 56 -8.605 -9.251 -9.251 500 2HB LYS 56 HB1 LYS 56 -9.065 -10.052 -10.052 501 1HG LYS 56 HG2 LYS 56 -9.516 -12.107 -12.107 502 2HG LYS 56 HG1 LYS 56 -8.671 -11.579 -11.579 503 1HD LYS 56 HD2 LYS 56 -11.123 -11.487 -11.487 504 2HD LYS 56 HD1 LYS 56 -10.416 -9.873 -9.873 505 1HE LYS 56 HE2 LYS 56 -11.093 -9.394 -9.394 506 2HE LYS 56 HE1 LYS 56 -11.644 -11.054 -11.054 507 1HZ LYS 56 HZ2 LYS 56 -12.767 -9.490 -9.490 508 2HZ LYS 56 HZ1 LYS 56 -13.318 -9.179 -9.179 509 3HZ LYS 56 HZ3 LYS 56 -13.477 -10.732 -10.732 510 HA PRO 57 HA PRO 57 -5.361 -10.238 -10.238 511 1HB PRO 57 HB2 PRO 57 -6.618 -11.854 -11.854 512 2HB PRO 57 HB1 PRO 57 -5.290 -12.372 -12.372 513 1HG PRO 57 HG2 PRO 57 -8.193 -12.898 -12.898 514 2HG PRO 57 HG1 PRO 57 -6.830 -13.858 -13.858 515 1HD PRO 57 HD2 PRO 57 -8.426 -12.227 -12.227 516 2HD PRO 57 HD1 PRO 57 -6.836 -12.888 -12.888 517 H HIS 58 HN HIS 58 -5.992 -9.323 -9.323 518 HA HIS 58 HA HIS 58 -8.768 -8.238 -8.238 519 1HB HIS 58 HB2 HIS 58 -7.168 -6.619 -6.619 520 2HB HIS 58 HB1 HIS 58 -6.294 -6.566 -6.566 521 HD1 HIS 58 HD1 HIS 58 -9.827 -6.890 -6.890 522 HD2 HIS 58 HD2 HIS 58 -7.281 -3.733 -3.733 523 HE1 HIS 58 HE1 HIS 58 -11.024 -4.769 -4.769 524 HA PRO 59 HA PRO 59 -7.176 -9.079 -9.079 525 1HB PRO 59 HB2 PRO 59 -7.741 -11.720 -11.720 526 2HB PRO 59 HB1 PRO 59 -6.168 -11.160 -11.160 527 1HG PRO 59 HG2 PRO 59 -8.354 -12.535 -12.535 528 2HG PRO 59 HG1 PRO 59 -6.611 -12.527 -12.527 529 1HD PRO 59 HD2 PRO 59 -8.553 -10.978 -10.978 530 2HD PRO 59 HD1 PRO 59 -6.798 -10.785 -10.785 531 H GLU 60 HN GLU 60 -9.752 -8.207 -8.207 532 HA GLU 60 HA GLU 60 -11.963 -9.758 -9.758 533 1HB GLU 60 HB2 GLU 60 -11.503 -6.974 -6.974 534 2HB GLU 60 HB1 GLU 60 -12.893 -7.182 -7.182 535 1HG GLU 60 HG2 GLU 60 -12.439 -8.988 -8.988 536 2HG GLU 60 HG1 GLU 60 -13.311 -7.462 -7.462 537 H PHE 61 HN PHE 61 -12.542 -10.294 -10.294 538 HA PHE 61 HA PHE 61 -11.731 -8.470 -8.470 539 1HB PHE 61 HB2 PHE 61 -12.102 -10.575 -10.575 540 2HB PHE 61 HB1 PHE 61 -10.675 -10.562 -10.562 541 HD1 PHE 61 HD1 PHE 61 -14.161 -11.835 -11.835 542 HD2 PHE 61 HD2 PHE 61 -10.403 -12.146 -12.146 543 HE1 PHE 61 HE1 PHE 61 -14.933 -13.921 -13.921 544 HE2 PHE 61 HE2 PHE 61 -11.177 -14.231 -14.231 545 HZ PHE 61 HZ PHE 61 -13.441 -15.119 -15.119 546 H ILE 62 HN ILE 62 -13.415 -9.169 -9.169 547 HA ILE 62 HA ILE 62 -15.892 -7.948 -7.948 548 HB ILE 62 HB ILE 62 -16.655 -8.531 -8.531 549 1HG1 ILE 62 HG12 ILE 62 -14.345 -9.681 -9.681 550 2HG1 ILE 62 HG11 ILE 62 -14.625 -10.609 -10.609 551 1HG2 ILE 62 HG23 ILE 62 -14.864 -6.706 -6.706 552 2HG2 ILE 62 HG22 ILE 62 -13.759 -7.768 -7.768 553 3HG2 ILE 62 HG21 ILE 62 -15.167 -7.095 -7.095 554 1HD1 ILE 62 HD12 ILE 62 -17.142 -10.560 -10.560 555 2HD1 ILE 62 HD11 ILE 62 -16.370 -10.312 -10.312 556 3HD1 ILE 62 HD13 ILE 62 -16.003 -11.755 -11.755 557 H VAL 63 HN VAL 63 -17.500 -8.866 -8.866 558 HA VAL 63 HA VAL 63 -18.983 -10.473 -10.473 559 HB VAL 63 HB VAL 63 -18.268 -12.017 -12.017 560 1HG1 VAL 63 HG11 VAL 63 -20.572 -12.096 -12.096 561 2HG1 VAL 63 HG13 VAL 63 -20.692 -12.780 -12.780 562 3HG1 VAL 63 HG12 VAL 63 -19.508 -13.418 -13.418 563 1HG2 VAL 63 HG21 VAL 63 -19.001 -9.629 -9.629 564 2HG2 VAL 63 HG23 VAL 63 -20.079 -10.841 -10.841 565 3HG2 VAL 63 HG22 VAL 63 -20.517 -10.026 -10.026 566 H THR 64 HN THR 64 -19.040 -12.711 -12.711 567 HA THR 64 HA THR 64 -16.362 -14.008 -14.008 568 HB THR 64 HB THR 64 -17.150 -14.343 -14.343 569 HG1 THR 64 HG1 THR 64 -18.267 -12.599 -12.599 570 1HG2 THR 64 HG22 THR 64 -15.674 -12.072 -12.072 571 2HG2 THR 64 HG21 THR 64 -15.883 -12.107 -12.107 572 3HG2 THR 64 HG23 THR 64 -15.031 -13.420 -13.420 573 H ASP 65 HN ASP 65 -17.124 -15.773 -15.773 574 HA ASP 65 HA ASP 65 -18.181 -17.839 -17.839 575 1HB ASP 65 HB2 ASP 65 -18.931 -17.648 -17.648 576 2HB ASP 65 HB1 ASP 65 -18.841 -19.113 -19.113 577 1H SER 1 HT2 SER 1 -11.551 -18.775 -18.775 578 2H SER 1 HT1 SER 1 -11.857 -20.446 -20.446 579 3H SER 1 HT3 SER 1 -10.331 -19.857 -19.857 580 HA SER 1 HA SER 1 -10.039 -20.686 -20.686 581 1HB SER 1 HB2 SER 1 -12.660 -19.279 -19.279 582 2HB SER 1 HB1 SER 1 -11.600 -19.775 -19.775 583 HG SER 1 HG SER 1 -13.202 -21.356 -21.356 584 HA PRO 2 HA PRO 2 -7.835 -16.936 -16.936 585 1HB PRO 2 HB2 PRO 2 -6.737 -17.568 -17.568 586 2HB PRO 2 HB1 PRO 2 -6.148 -18.230 -18.230 587 1HG PRO 2 HG2 PRO 2 -7.766 -19.573 -19.573 588 2HG PRO 2 HG1 PRO 2 -6.659 -20.288 -20.288 589 1HD PRO 2 HD2 PRO 2 -9.491 -20.272 -20.272 590 2HD PRO 2 HD1 PRO 2 -8.368 -20.690 -20.690 591 H LEU 3 HN LEU 3 -8.571 -14.979 -14.979 592 HA LEU 3 HA LEU 3 -10.353 -15.089 -15.089 593 1HB LEU 3 HB2 LEU 3 -11.245 -14.358 -14.358 594 2HB LEU 3 HB1 LEU 3 -10.484 -12.824 -12.824 595 HG LEU 3 HG LEU 3 -12.858 -12.831 -12.831 596 1HD1 LEU 3 HD12 LEU 3 -11.114 -11.640 -11.640 597 2HD1 LEU 3 HD11 LEU 3 -11.090 -13.038 -13.038 598 3HD1 LEU 3 HD13 LEU 3 -12.564 -12.085 -12.085 599 1HD2 LEU 3 HD21 LEU 3 -12.706 -15.430 -15.430 600 2HD2 LEU 3 HD23 LEU 3 -13.819 -14.451 -14.451 601 3HD2 LEU 3 HD22 LEU 3 -12.265 -14.939 -14.939 602 H LEU 4 HN LEU 4 -8.186 -14.888 -14.888 603 HA LEU 4 HA LEU 4 -6.766 -13.570 -13.570 604 1HB LEU 4 HB2 LEU 4 -9.179 -12.194 -12.194 605 2HB LEU 4 HB1 LEU 4 -7.989 -10.976 -10.976 606 HG LEU 4 HG LEU 4 -6.951 -12.435 -12.435 607 1HD1 LEU 4 HD13 LEU 4 -9.575 -12.779 -12.779 608 2HD1 LEU 4 HD12 LEU 4 -9.524 -11.123 -11.123 609 3HD1 LEU 4 HD11 LEU 4 -8.619 -12.391 -12.391 610 1HD2 LEU 4 HD22 LEU 4 -6.800 -9.923 -9.923 611 2HD2 LEU 4 HD21 LEU 4 -6.559 -10.297 -10.297 612 3HD2 LEU 4 HD23 LEU 4 -8.117 -9.686 -9.686 613 HA PRO 5 HA PRO 5 -3.942 -11.745 -11.745 614 1HB PRO 5 HB2 PRO 5 -2.131 -10.656 -10.656 615 2HB PRO 5 HB1 PRO 5 -2.210 -12.390 -12.390 616 1HG PRO 5 HG2 PRO 5 -3.096 -10.944 -10.944 617 2HG PRO 5 HG1 PRO 5 -2.622 -12.641 -12.641 618 1HD PRO 5 HD2 PRO 5 -5.283 -11.642 -11.642 619 2HD PRO 5 HD1 PRO 5 -4.804 -13.296 -13.296 620 H LYS 6 HN LYS 6 -2.537 -9.285 -9.285 621 HA LYS 6 HA LYS 6 -4.463 -7.262 -7.262 622 1HB LYS 6 HB2 LYS 6 -4.804 -8.119 -8.119 623 2HB LYS 6 HB1 LYS 6 -3.666 -6.794 -6.794 624 1HG LYS 6 HG2 LYS 6 -5.147 -5.279 -5.279 625 2HG LYS 6 HG1 LYS 6 -6.283 -6.603 -6.603 626 1HD LYS 6 HD2 LYS 6 -5.974 -6.705 -6.705 627 2HD LYS 6 HD1 LYS 6 -5.818 -4.973 -4.973 628 1HE LYS 6 HE2 LYS 6 -8.064 -6.593 -6.593 629 2HE LYS 6 HE1 LYS 6 -8.196 -5.872 -5.872 630 1HZ LYS 6 HZ3 LYS 6 -7.328 -4.232 -4.232 631 2HZ LYS 6 HZ2 LYS 6 -8.980 -4.545 -4.545 632 3HZ LYS 6 HZ1 LYS 6 -8.085 -3.749 -3.749 633 H LEU 7 HN LEU 7 -1.586 -8.094 -8.094 634 HA LEU 7 HA LEU 7 0.503 -7.021 -7.021 635 1HB LEU 7 HB2 LEU 7 -1.472 -4.730 -4.730 636 2HB LEU 7 HB1 LEU 7 0.253 -4.428 -4.428 637 HG LEU 7 HG LEU 7 -0.860 -4.587 -4.587 638 1HD1 LEU 7 HD11 LEU 7 1.504 -5.667 -5.667 639 2HD1 LEU 7 HD13 LEU 7 0.685 -7.131 -7.131 640 3HD1 LEU 7 HD12 LEU 7 0.862 -5.758 -5.758 641 1HD2 LEU 7 HD23 LEU 7 -2.594 -6.303 -6.303 642 2HD2 LEU 7 HD22 LEU 7 -2.040 -6.510 -6.510 643 3HD2 LEU 7 HD21 LEU 7 -1.370 -7.514 -7.514 644 HA PRO 8 HA PRO 8 0.901 -6.420 -6.420 645 1HB PRO 8 HB2 PRO 8 3.238 -7.846 -7.846 646 2HB PRO 8 HB1 PRO 8 1.620 -8.566 -8.566 647 1HG PRO 8 HG2 PRO 8 3.628 -8.625 -8.625 648 2HG PRO 8 HG1 PRO 8 2.369 -9.805 -9.805 649 1HD PRO 8 HD2 PRO 8 2.208 -7.907 -7.907 650 2HD PRO 8 HD1 PRO 8 0.834 -8.795 -8.795 651 HA PRO 9 HA PRO 9 3.930 -3.116 -3.116 652 1HB PRO 9 HB2 PRO 9 3.051 -1.424 -1.424 653 2HB PRO 9 HB1 PRO 9 2.294 -1.526 -1.526 654 1HG PRO 9 HG2 PRO 9 1.298 -2.553 -2.553 655 2HG PRO 9 HG1 PRO 9 0.385 -2.122 -2.122 656 1HD PRO 9 HD2 PRO 9 1.074 -4.756 -4.756 657 2HD PRO 9 HD1 PRO 9 0.364 -4.295 -4.295 658 H LYS 10 HN LYS 10 4.991 -1.642 -1.642 659 HA LYS 10 HA LYS 10 6.179 -3.799 -3.799 660 1HB LYS 10 HB2 LYS 10 7.695 -2.632 -2.632 661 2HB LYS 10 HB1 LYS 10 7.513 -1.181 -1.181 662 1HG LYS 10 HG2 LYS 10 8.185 -2.792 -2.792 663 2HG LYS 10 HG1 LYS 10 8.874 -3.768 -3.768 664 1HD LYS 10 HD2 LYS 10 10.503 -2.225 -2.225 665 2HD LYS 10 HD1 LYS 10 9.479 -0.855 -0.855 666 1HE LYS 10 HE2 LYS 10 10.097 -2.587 -2.587 667 2HE LYS 10 HE1 LYS 10 11.530 -1.863 -1.863 668 1HZ LYS 10 HZ3 LYS 10 9.174 -0.179 -0.179 669 2HZ LYS 10 HZ2 LYS 10 10.172 -0.583 -0.583 670 3HZ LYS 10 HZ1 LYS 10 10.817 0.244 0.244 671 H THR 11 HN THR 11 6.523 -3.309 -3.309 672 HA THR 11 HA THR 11 5.885 -2.425 -2.425 673 HB THR 11 HB THR 11 5.888 0.273 0.273 674 HG1 THR 11 HG1 THR 11 7.339 0.863 0.863 675 1HG2 THR 11 HG23 THR 11 8.163 -1.699 -1.699 676 2HG2 THR 11 HG22 THR 11 8.452 0.033 0.033 677 3HG2 THR 11 HG21 THR 11 7.454 -0.813 -0.813 678 H TYR 12 HN TYR 12 3.775 -2.962 -2.962 679 HA TYR 12 HA TYR 12 1.560 -1.600 -1.600 680 1HB TYR 12 HB2 TYR 12 1.845 -3.830 -3.830 681 2HB TYR 12 HB1 TYR 12 0.315 -2.955 -2.955 682 HD1 TYR 12 HD1 TYR 12 -0.223 -2.296 -2.296 683 HD2 TYR 12 HD2 TYR 12 1.633 -5.835 -5.835 684 HE1 TYR 12 HE1 TYR 12 -0.933 -3.566 -3.566 685 HE2 TYR 12 HE2 TYR 12 0.925 -7.101 -7.101 686 HH TYR 12 HH TYR 12 -1.286 -6.539 -6.539 687 H LYS 13 HN LYS 13 1.983 -2.096 -2.096 688 HA LYS 13 HA LYS 13 0.676 0.464 0.464 689 1HB LYS 13 HB2 LYS 13 0.680 -1.800 -1.800 690 2HB LYS 13 HB1 LYS 13 2.116 -1.082 -1.082 691 1HG LYS 13 HG2 LYS 13 0.601 1.056 1.056 692 2HG LYS 13 HG1 LYS 13 -0.722 -0.100 -0.100 693 1HD LYS 13 HD2 LYS 13 -0.255 -1.127 -1.127 694 2HD LYS 13 HD1 LYS 13 1.466 -0.748 -0.748 695 1HE LYS 13 HE2 LYS 13 0.911 0.821 0.821 696 2HE LYS 13 HE1 LYS 13 0.447 1.759 1.759 697 1HZ LYS 13 HZ1 LYS 13 -1.788 0.506 0.506 698 2HZ LYS 13 HZ3 LYS 13 -1.254 0.299 0.299 699 3HZ LYS 13 HZ2 LYS 13 -1.444 1.864 1.864 700 H ARG 14 HN ARG 14 1.841 2.307 2.307 701 HA ARG 14 HA ARG 14 4.753 2.282 2.282 702 1HB ARG 14 HB2 ARG 14 3.029 4.244 4.244 703 2HB ARG 14 HB1 ARG 14 4.739 4.500 4.500 704 1HG ARG 14 HG2 ARG 14 5.362 2.528 2.528 705 2HG ARG 14 HG1 ARG 14 3.673 2.056 2.056 706 1HD ARG 14 HD2 ARG 14 3.242 3.716 3.716 707 2HD ARG 14 HD1 ARG 14 4.552 4.746 4.746 708 HE ARG 14 HE ARG 14 4.881 2.383 2.383 709 1HH1 ARG 14 HH21 ARG 14 6.858 3.660 3.660 710 2HH1 ARG 14 HH22 ARG 14 8.043 4.310 4.310 711 1HH2 ARG 14 HH11 ARG 14 6.099 3.840 3.840 712 2HH2 ARG 14 HH12 ARG 14 7.614 4.411 4.411 713 H GLU 15 HN GLU 15 5.550 4.394 4.394 714 HA GLU 15 HA GLU 15 3.548 5.462 5.462 715 1HB GLU 15 HB2 GLU 15 5.427 3.622 3.622 716 2HB GLU 15 HB1 GLU 15 6.310 5.124 5.124 717 1HG GLU 15 HG2 GLU 15 4.608 5.952 5.952 718 2HG GLU 15 HG1 GLU 15 3.503 4.650 4.650 Start of MODEL 17 1 1H GLY -8 HT2 GLY -8 11.445 -7.816 -7.816 2 2H GLY -8 HT1 GLY -8 12.177 -7.364 -7.364 3 3H GLY -8 HT3 GLY -8 12.834 -6.839 -6.839 4 1HA GLY -8 HA1 GLY -8 11.516 -5.078 -5.078 5 2HA GLY -8 HA2 GLY -8 10.680 -5.676 -5.676 6 H SER -7 HN SER -7 8.672 -5.020 -5.020 7 HA SER -7 HA SER -7 8.056 -5.486 -5.486 8 1HB SER -7 HB2 SER -7 7.945 -2.622 -2.622 9 2HB SER -7 HB1 SER -7 7.739 -3.225 -3.225 10 HG SER -7 HG SER -7 10.022 -2.672 -2.672 11 H ARG -6 HN ARG -6 5.747 -4.576 -4.576 12 HA ARG -6 HA ARG -6 4.135 -4.811 -4.811 13 1HB ARG -6 HB2 ARG -6 3.593 -5.866 -5.866 14 2HB ARG -6 HB1 ARG -6 2.342 -5.758 -5.758 15 1HG ARG -6 HG2 ARG -6 3.424 -7.324 -7.324 16 2HG ARG -6 HG1 ARG -6 4.961 -7.150 -7.150 17 1HD ARG -6 HD2 ARG -6 3.976 -8.197 -8.197 18 2HD ARG -6 HD1 ARG -6 2.439 -8.371 -8.371 19 HE ARG -6 HE ARG -6 4.926 -9.734 -9.734 20 1HH1 ARG -6 HH21 ARG -6 3.273 -10.522 -10.522 21 2HH1 ARG -6 HH22 ARG -6 2.204 -11.729 -11.729 22 1HH2 ARG -6 HH11 ARG -6 2.811 -10.910 -10.910 23 2HH2 ARG -6 HH12 ARG -6 1.942 -11.949 -11.949 24 H ARG -5 HN ARG -5 4.167 -2.463 -2.463 25 HA ARG -5 HA ARG -5 2.735 -1.001 -1.001 26 1HB ARG -5 HB2 ARG -5 4.957 -0.199 -0.199 27 2HB ARG -5 HB1 ARG -5 3.929 0.274 0.274 28 1HG ARG -5 HG2 ARG -5 2.662 1.773 1.773 29 2HG ARG -5 HG1 ARG -5 3.338 1.110 1.110 30 1HD ARG -5 HD2 ARG -5 4.406 3.258 3.258 31 2HD ARG -5 HD1 ARG -5 5.575 1.943 1.943 32 HE ARG -5 HE ARG -5 4.210 2.963 2.963 33 1HH1 ARG -5 HH11 ARG -5 5.913 1.185 1.185 34 2HH1 ARG -5 HH12 ARG -5 7.498 1.882 1.882 35 1HH2 ARG -5 HH21 ARG -5 6.729 4.319 4.319 36 2HH2 ARG -5 HH22 ARG -5 7.960 3.656 3.656 37 H ALA -4 HN ALA -4 1.381 -2.856 -2.856 38 HA ALA -4 HA ALA -4 -0.223 -0.982 -0.982 39 1HB ALA -4 HB1 ALA -4 0.759 -3.313 -3.313 40 2HB ALA -4 HB3 ALA -4 -0.670 -3.948 -3.948 41 3HB ALA -4 HB2 ALA -4 -0.850 -2.815 -2.815 42 H SER -3 HN SER -3 -0.432 -1.087 -1.087 43 HA SER -3 HA SER -3 -3.340 -1.258 -1.258 44 1HB SER -3 HB2 SER -3 -3.201 -2.894 -2.894 45 2HB SER -3 HB1 SER -3 -2.984 -3.587 -3.587 46 HG SER -3 HG SER -3 -0.803 -3.661 -3.661 47 H VAL -2 HN VAL -2 -3.648 0.666 0.666 48 HA VAL -2 HA VAL -2 -1.785 1.441 1.441 49 HB VAL -2 HB VAL -2 -3.870 3.149 3.149 50 1HG1 VAL -2 HG12 VAL -2 -1.537 3.739 3.739 51 2HG1 VAL -2 HG11 VAL -2 -2.381 4.982 4.982 52 3HG1 VAL -2 HG13 VAL -2 -3.245 4.055 4.055 53 1HG2 VAL -2 HG21 VAL -2 -0.952 2.633 2.633 54 2HG2 VAL -2 HG23 VAL -2 -2.325 2.572 2.572 55 3HG2 VAL -2 HG22 VAL -2 -1.751 4.125 4.125 56 H GLY -1 HN GLY -1 -2.582 0.530 0.530 57 1HA GLY -1 HA2 GLY -1 -5.012 1.568 1.568 58 2HA GLY -1 HA1 GLY -1 -5.249 -0.096 -0.096 59 H SER 0 HN SER 0 -5.167 -1.344 -1.344 60 HA SER 0 HA SER 0 -2.726 -1.716 -1.716 61 1HB SER 0 HB2 SER 0 -3.863 -0.944 -0.944 62 2HB SER 0 HB1 SER 0 -3.047 0.244 0.244 63 HG SER 0 HG SER 0 -5.825 -0.362 -0.362 64 H MET 1 HN MET 1 -3.237 -3.123 -3.123 65 HA MET 1 HA MET 1 -5.464 -4.970 -4.970 66 1HB MET 1 HB2 MET 1 -2.762 -5.391 -5.391 67 2HB MET 1 HB1 MET 1 -4.069 -6.470 -6.470 68 1HG MET 1 HG2 MET 1 -4.375 -7.323 -7.323 69 2HG MET 1 HG1 MET 1 -3.684 -5.904 -5.904 70 1HE MET 1 HE1 MET 1 -2.580 -6.803 -6.803 71 2HE MET 1 HE3 MET 1 -0.827 -6.755 -6.755 72 3HE MET 1 HE2 MET 1 -1.652 -8.299 -8.299 73 H GLU 2 HN GLU 2 -6.065 -6.291 -6.291 74 HA GLU 2 HA GLU 2 -6.509 -4.227 -4.227 75 1HB GLU 2 HB2 GLU 2 -8.436 -5.357 -5.357 76 2HB GLU 2 HB1 GLU 2 -8.620 -6.209 -6.209 77 1HG GLU 2 HG2 GLU 2 -9.060 -4.217 -4.217 78 2HG GLU 2 HG1 GLU 2 -8.412 -3.206 -3.206 79 H ALA 3 HN ALA 3 -7.367 -5.486 -5.486 80 HA ALA 3 HA ALA 3 -6.363 -8.187 -8.187 81 1HB ALA 3 HB1 ALA 3 -4.985 -5.834 -5.834 82 2HB ALA 3 HB3 ALA 3 -5.029 -7.349 -7.349 83 3HB ALA 3 HB2 ALA 3 -4.307 -7.304 -7.304 84 H ILE 4 HN ILE 4 -7.976 -9.091 -9.091 85 HA ILE 4 HA ILE 4 -10.062 -7.835 -7.835 86 HB ILE 4 HB ILE 4 -10.280 -10.042 -10.042 87 1HG1 ILE 4 HG12 ILE 4 -10.551 -10.832 -10.832 88 2HG1 ILE 4 HG11 ILE 4 -11.211 -9.229 -9.229 89 1HG2 ILE 4 HG21 ILE 4 -7.807 -10.547 -10.547 90 2HG2 ILE 4 HG23 ILE 4 -8.707 -11.290 -11.290 91 3HG2 ILE 4 HG22 ILE 4 -8.969 -11.828 -11.828 92 1HD1 ILE 4 HD13 ILE 4 -11.812 -11.565 -11.565 93 2HD1 ILE 4 HD12 ILE 4 -12.762 -11.224 -11.224 94 3HD1 ILE 4 HD11 ILE 4 -12.677 -10.036 -10.036 95 H ALA 5 HN ALA 5 -10.097 -6.842 -6.842 96 HA ALA 5 HA ALA 5 -8.004 -7.151 -7.151 97 1HB ALA 5 HB3 ALA 5 -10.653 -5.674 -5.674 98 2HB ALA 5 HB2 ALA 5 -9.772 -5.835 -5.835 99 3HB ALA 5 HB1 ALA 5 -9.028 -5.002 -5.002 100 H LYS 6 HN LYS 6 -8.004 -9.108 -9.108 101 HA LYS 6 HA LYS 6 -10.272 -10.849 -10.849 102 1HB LYS 6 HB2 LYS 6 -7.734 -10.871 -10.871 103 2HB LYS 6 HB1 LYS 6 -8.860 -12.216 -12.216 104 1HG LYS 6 HG2 LYS 6 -8.293 -12.537 -12.537 105 2HG LYS 6 HG1 LYS 6 -7.660 -10.901 -10.901 106 1HD LYS 6 HD2 LYS 6 -5.804 -12.468 -12.468 107 2HD LYS 6 HD1 LYS 6 -5.788 -11.499 -11.499 108 1HE LYS 6 HE2 LYS 6 -7.162 -13.405 -13.405 109 2HE LYS 6 HE1 LYS 6 -6.703 -14.361 -14.361 110 1HZ LYS 6 HZ2 LYS 6 -4.342 -13.651 -13.651 111 2HZ LYS 6 HZ1 LYS 6 -4.958 -13.192 -13.192 112 3HZ LYS 6 HZ3 LYS 6 -5.065 -14.807 -14.807 113 H TYR 7 HN TYR 7 -9.121 -8.290 -8.290 114 HA TYR 7 HA TYR 7 -11.477 -8.747 -8.747 115 1HB TYR 7 HB2 TYR 7 -8.782 -8.413 -8.413 116 2HB TYR 7 HB1 TYR 7 -10.286 -8.952 -8.952 117 HD1 TYR 7 HD1 TYR 7 -11.225 -11.228 -11.228 118 HD2 TYR 7 HD2 TYR 7 -7.293 -9.923 -9.923 119 HE1 TYR 7 HE1 TYR 7 -10.576 -13.580 -13.580 120 HE2 TYR 7 HE2 TYR 7 -6.634 -12.256 -12.256 121 HH TYR 7 HH TYR 7 -7.387 -14.561 -14.561 122 H ASP 8 HN ASP 8 -11.147 -7.044 -7.044 123 HA ASP 8 HA ASP 8 -11.277 -4.462 -4.462 124 1HB ASP 8 HB2 ASP 8 -12.304 -5.661 -5.661 125 2HB ASP 8 HB1 ASP 8 -11.350 -4.260 -4.260 126 H PHE 9 HN PHE 9 -10.134 -2.585 -2.585 127 HA PHE 9 HA PHE 9 -7.862 -2.712 -2.712 128 1HB PHE 9 HB2 PHE 9 -7.296 -4.003 -4.003 129 2HB PHE 9 HB1 PHE 9 -6.530 -2.423 -2.423 130 HD1 PHE 9 HD1 PHE 9 -7.103 -4.568 -4.568 131 HD2 PHE 9 HD2 PHE 9 -4.227 -2.797 -2.797 132 HE1 PHE 9 HE1 PHE 9 -5.265 -5.339 -5.339 133 HE2 PHE 9 HE2 PHE 9 -2.387 -3.572 -3.572 134 HZ PHE 9 HZ PHE 9 -2.911 -4.838 -4.838 135 H LYS 10 HN LYS 10 -6.331 -0.722 -0.722 136 HA LYS 10 HA LYS 10 -7.720 1.398 1.398 137 1HB LYS 10 HB2 LYS 10 -7.777 1.186 1.186 138 2HB LYS 10 HB1 LYS 10 -7.097 2.721 2.721 139 1HG LYS 10 HG2 LYS 10 -9.094 3.463 3.463 140 2HG LYS 10 HG1 LYS 10 -9.504 1.898 1.898 141 1HD LYS 10 HD2 LYS 10 -11.079 2.438 2.438 142 2HD LYS 10 HD1 LYS 10 -10.086 1.059 1.059 143 1HE LYS 10 HE2 LYS 10 -8.532 2.792 2.792 144 2HE LYS 10 HE1 LYS 10 -9.874 3.922 3.922 145 1HZ LYS 10 HZ2 LYS 10 -11.288 2.330 2.330 146 2HZ LYS 10 HZ1 LYS 10 -9.943 1.322 1.322 147 3HZ LYS 10 HZ3 LYS 10 -9.985 2.862 2.862 148 H ALA 11 HN ALA 11 -6.466 3.261 3.261 149 HA ALA 11 HA ALA 11 -3.744 2.664 2.664 150 1HB ALA 11 HB3 ALA 11 -5.130 4.338 4.338 151 2HB ALA 11 HB2 ALA 11 -4.988 5.412 5.412 152 3HB ALA 11 HB1 ALA 11 -3.543 4.939 4.939 153 H THR 12 HN THR 12 -1.957 2.979 2.979 154 HA THR 12 HA THR 12 -2.455 4.261 4.261 155 HB THR 12 HB THR 12 -0.407 2.991 2.991 156 HG1 THR 12 HG1 THR 12 0.694 2.492 2.492 157 1HG2 THR 12 HG23 THR 12 -2.969 2.154 2.154 158 2HG2 THR 12 HG22 THR 12 -2.204 0.921 0.921 159 3HG2 THR 12 HG21 THR 12 -1.672 1.158 1.158 160 H ALA 13 HN ALA 13 0.192 3.886 3.886 161 HA ALA 13 HA ALA 13 1.661 6.178 6.178 162 1HB ALA 13 HB1 ALA 13 1.858 4.414 4.414 163 2HB ALA 13 HB3 ALA 13 2.755 5.934 5.934 164 3HB ALA 13 HB2 ALA 13 3.048 4.697 4.697 165 H ASP 14 HN ASP 14 2.180 7.998 7.998 166 HA ASP 14 HA ASP 14 -0.162 9.476 9.476 167 1HB ASP 14 HB2 ASP 14 2.257 10.146 10.146 168 2HB ASP 14 HB1 ASP 14 2.533 10.126 10.126 169 H ASP 15 HN ASP 15 1.583 7.160 7.160 170 HA ASP 15 HA ASP 15 0.149 7.987 7.987 171 1HB ASP 15 HB2 ASP 15 2.994 7.263 7.263 172 2HB ASP 15 HB1 ASP 15 2.201 6.656 6.656 173 H GLU 16 HN GLU 16 -0.704 6.120 6.120 174 HA GLU 16 HA GLU 16 -0.440 3.492 3.492 175 1HB GLU 16 HB2 GLU 16 -0.123 3.859 3.859 176 2HB GLU 16 HB1 GLU 16 -1.878 3.990 3.990 177 1HG GLU 16 HG2 GLU 16 -2.199 1.779 1.779 178 2HG GLU 16 HG1 GLU 16 -0.773 1.693 1.693 179 H LEU 17 HN LEU 17 -2.619 2.210 2.210 180 HA LEU 17 HA LEU 17 -4.785 4.075 4.075 181 1HB LEU 17 HB2 LEU 17 -3.778 2.938 2.938 182 2HB LEU 17 HB1 LEU 17 -4.058 1.381 1.381 183 HG LEU 17 HG LEU 17 -6.533 1.937 1.937 184 1HD1 LEU 17 HD13 LEU 17 -5.628 4.481 4.481 185 2HD1 LEU 17 HD12 LEU 17 -6.247 3.862 3.862 186 3HD1 LEU 17 HD11 LEU 17 -7.296 3.922 3.922 187 1HD2 LEU 17 HD22 LEU 17 -4.815 1.320 1.320 188 2HD2 LEU 17 HD21 LEU 17 -6.223 0.457 0.457 189 3HD2 LEU 17 HD23 LEU 17 -6.443 1.869 1.869 190 H SER 18 HN SER 18 -6.851 3.657 3.657 191 HA SER 18 HA SER 18 -7.162 1.631 1.631 192 1HB SER 18 HB2 SER 18 -9.236 3.547 3.547 193 2HB SER 18 HB1 SER 18 -8.790 2.962 2.962 194 HG SER 18 HG SER 18 -8.193 5.239 5.239 195 H PHE 19 HN PHE 19 -9.088 0.238 0.238 196 HA PHE 19 HA PHE 19 -10.883 0.135 0.135 197 1HB PHE 19 HB2 PHE 19 -10.066 -1.900 -1.900 198 2HB PHE 19 HB1 PHE 19 -8.867 -0.613 -0.613 199 HD1 PHE 19 HD1 PHE 19 -9.816 -3.681 -3.681 200 HD2 PHE 19 HD2 PHE 19 -6.699 -0.884 -0.884 201 HE1 PHE 19 HE1 PHE 19 -8.147 -5.160 -5.160 202 HE2 PHE 19 HE2 PHE 19 -5.034 -2.357 -2.357 203 HZ PHE 19 HZ PHE 19 -5.758 -4.496 -4.496 204 H LYS 20 HN LYS 20 -12.247 -1.864 -1.864 205 HA LYS 20 HA LYS 20 -12.340 -2.940 -2.940 206 1HB LYS 20 HB2 LYS 20 -14.619 -2.655 -2.655 207 2HB LYS 20 HB1 LYS 20 -14.740 -3.084 -3.084 208 1HG LYS 20 HG2 LYS 20 -13.268 -0.613 -0.613 209 2HG LYS 20 HG1 LYS 20 -14.805 -0.491 -0.491 210 1HD LYS 20 HD2 LYS 20 -14.614 -1.546 -1.546 211 2HD LYS 20 HD1 LYS 20 -14.824 0.168 0.168 212 1HE LYS 20 HE2 LYS 20 -16.737 -1.060 -1.060 213 2HE LYS 20 HE1 LYS 20 -16.782 -1.998 -1.998 214 1HZ LYS 20 HZ1 LYS 20 -16.763 0.952 0.952 215 2HZ LYS 20 HZ3 LYS 20 -18.211 0.097 0.097 216 3HZ LYS 20 HZ2 LYS 20 -17.292 -0.134 -0.134 217 H ARG 21 HN ARG 21 -13.828 -5.029 -5.029 218 HA ARG 21 HA ARG 21 -12.344 -7.028 -7.028 219 1HB ARG 21 HB2 ARG 21 -13.446 -7.338 -7.338 220 2HB ARG 21 HB1 ARG 21 -15.010 -7.261 -7.261 221 1HG ARG 21 HG2 ARG 21 -14.721 -9.304 -9.304 222 2HG ARG 21 HG1 ARG 21 -12.960 -9.178 -9.178 223 1HD ARG 21 HD2 ARG 21 -12.806 -9.752 -9.752 224 2HD ARG 21 HD1 ARG 21 -14.492 -9.351 -9.351 225 HE ARG 21 HE ARG 21 -13.648 -11.759 -11.759 226 1HH1 ARG 21 HH21 ARG 21 -14.783 -10.981 -10.981 227 2HH1 ARG 21 HH22 ARG 21 -16.245 -11.906 -11.906 228 1HH2 ARG 21 HH11 ARG 21 -15.942 -12.560 -12.560 229 2HH2 ARG 21 HH12 ARG 21 -16.901 -12.800 -12.800 230 H GLY 22 HN GLY 22 -12.577 -6.997 -6.997 231 1HA GLY 22 HA2 GLY 22 -13.994 -7.946 -7.946 232 2HA GLY 22 HA1 GLY 22 -15.372 -7.142 -7.142 233 H ASP 23 HN ASP 23 -12.769 -5.041 -5.041 234 HA ASP 23 HA ASP 23 -13.733 -3.518 -3.518 235 1HB ASP 23 HB2 ASP 23 -12.948 -2.836 -2.836 236 2HB ASP 23 HB1 ASP 23 -11.644 -2.263 -2.263 237 H ILE 24 HN ILE 24 -12.739 -4.469 -4.469 238 HA ILE 24 HA ILE 24 -9.994 -5.313 -5.313 239 HB ILE 24 HB ILE 24 -11.512 -4.628 -4.628 240 1HG1 ILE 24 HG12 ILE 24 -11.868 -6.986 -6.986 241 2HG1 ILE 24 HG11 ILE 24 -13.121 -5.947 -5.947 242 1HG2 ILE 24 HG21 ILE 24 -8.987 -5.494 -5.494 243 2HG2 ILE 24 HG23 ILE 24 -9.812 -7.048 -7.048 244 3HG2 ILE 24 HG22 ILE 24 -9.929 -5.966 -5.966 245 1HD1 ILE 24 HD11 ILE 24 -12.153 -6.913 -6.913 246 2HD1 ILE 24 HD13 ILE 24 -11.697 -8.250 -8.250 247 3HD1 ILE 24 HD12 ILE 24 -13.389 -7.769 -7.769 248 H LEU 25 HN LEU 25 -8.179 -4.248 -4.248 249 HA LEU 25 HA LEU 25 -8.410 -1.303 -1.303 250 1HB LEU 25 HB2 LEU 25 -5.875 -2.918 -2.918 251 2HB LEU 25 HB1 LEU 25 -6.101 -1.197 -1.197 252 HG LEU 25 HG LEU 25 -6.128 -2.151 -2.151 253 1HD1 LEU 25 HD13 LEU 25 -9.006 -1.862 -1.862 254 2HD1 LEU 25 HD12 LEU 25 -8.493 -1.947 -1.947 255 3HD1 LEU 25 HD11 LEU 25 -7.967 -0.606 -0.606 256 1HD2 LEU 25 HD22 LEU 25 -6.700 -4.511 -4.511 257 2HD2 LEU 25 HD21 LEU 25 -6.851 -4.246 -4.246 258 3HD2 LEU 25 HD23 LEU 25 -8.277 -4.144 -4.144 259 H LYS 26 HN LYS 26 -6.962 -0.179 -0.179 260 HA LYS 26 HA LYS 26 -6.686 -1.824 -1.824 261 1HB LYS 26 HB2 LYS 26 -8.127 0.251 0.251 262 2HB LYS 26 HB1 LYS 26 -6.676 1.199 1.199 263 1HG LYS 26 HG2 LYS 26 -5.667 0.595 0.595 264 2HG LYS 26 HG1 LYS 26 -6.785 -0.747 -0.747 265 1HD LYS 26 HD2 LYS 26 -7.941 1.999 1.999 266 2HD LYS 26 HD1 LYS 26 -7.112 1.581 1.581 267 1HE LYS 26 HE2 LYS 26 -8.583 -0.237 -0.237 268 2HE LYS 26 HE1 LYS 26 -9.213 -0.219 -0.219 269 1HZ LYS 26 HZ2 LYS 26 -9.967 2.137 2.137 270 2HZ LYS 26 HZ1 LYS 26 -9.719 1.698 1.698 271 3HZ LYS 26 HZ3 LYS 26 -10.841 0.847 0.847 272 H VAL 27 HN VAL 27 -4.604 -2.707 -2.707 273 HA VAL 27 HA VAL 27 -2.397 -1.411 -1.411 274 HB VAL 27 HB VAL 27 -2.310 -3.469 -3.469 275 1HG1 VAL 27 HG12 VAL 27 -0.275 -2.182 -2.182 276 2HG1 VAL 27 HG11 VAL 27 -0.135 -3.932 -3.932 277 3HG1 VAL 27 HG13 VAL 27 -0.090 -2.873 -2.873 278 1HG2 VAL 27 HG23 VAL 27 -3.653 -4.142 -4.142 279 2HG2 VAL 27 HG22 VAL 27 -2.186 -5.103 -5.103 280 3HG2 VAL 27 HG21 VAL 27 -2.250 -3.805 -3.805 281 H LEU 28 HN LEU 28 -1.696 0.540 0.540 282 HA LEU 28 HA LEU 28 -1.657 1.446 1.446 283 1HB LEU 28 HB2 LEU 28 -0.406 2.971 2.971 284 2HB LEU 28 HB1 LEU 28 -1.168 3.597 3.597 285 HG LEU 28 HG LEU 28 -3.048 2.080 2.080 286 1HD1 LEU 28 HD12 LEU 28 -1.613 4.463 4.463 287 2HD1 LEU 28 HD11 LEU 28 -3.170 3.892 3.892 288 3HD1 LEU 28 HD13 LEU 28 -1.757 2.847 2.847 289 1HD2 LEU 28 HD23 LEU 28 -2.917 4.514 4.514 290 2HD2 LEU 28 HD22 LEU 28 -4.278 3.435 3.435 291 3HD2 LEU 28 HD21 LEU 28 -3.903 4.715 4.715 292 H ASN 29 HN ASN 29 0.527 0.458 0.458 293 HA ASN 29 HA ASN 29 2.669 0.216 0.216 294 1HB ASN 29 HB2 ASN 29 3.025 1.694 1.694 295 2HB ASN 29 HB1 ASN 29 4.343 1.235 1.235 296 1HD2 ASN 29 HD22 ASN 29 2.945 3.462 3.462 297 2HD2 ASN 29 HD21 ASN 29 3.298 1.807 1.807 298 H GLU 30 HN GLU 30 3.839 -1.577 -1.577 299 HA GLU 30 HA GLU 30 3.372 -3.371 -3.371 300 1HB GLU 30 HB2 GLU 30 4.884 -3.937 -3.937 301 2HB GLU 30 HB1 GLU 30 4.285 -5.117 -5.117 302 1HG GLU 30 HG2 GLU 30 1.947 -4.046 -4.046 303 2HG GLU 30 HG1 GLU 30 2.734 -3.461 -3.461 304 H GLU 31 HN GLU 31 5.732 -4.785 -4.785 305 HA GLU 31 HA GLU 31 8.002 -4.749 -4.749 306 1HB GLU 31 HB2 GLU 31 8.057 -1.754 -1.754 307 2HB GLU 31 HB1 GLU 31 9.405 -2.886 -2.886 308 1HG GLU 31 HG2 GLU 31 8.184 -3.987 -3.987 309 2HG GLU 31 HG1 GLU 31 7.252 -2.491 -2.491 310 H CYS 32 HN CYS 32 9.337 -3.027 -3.027 311 HA CYS 32 HA CYS 32 9.444 -2.145 -2.145 312 1HB CYS 32 HB2 CYS 32 6.418 -2.198 -2.198 313 2HB CYS 32 HB1 CYS 32 7.524 -1.205 -1.205 314 HG CYS 32 HG CYS 32 7.790 0.387 0.387 315 H ASP 33 HN ASP 33 7.981 -2.810 -2.810 316 HA ASP 33 HA ASP 33 8.940 -5.115 -5.115 317 1HB ASP 33 HB2 ASP 33 7.205 -3.372 -3.372 318 2HB ASP 33 HB1 ASP 33 6.079 -4.652 -4.652 319 H GLN 34 HN GLN 34 8.210 -7.244 -7.244 320 HA GLN 34 HA GLN 34 6.813 -8.281 -8.281 321 1HB GLN 34 HB2 GLN 34 8.662 -9.432 -9.432 322 2HB GLN 34 HB1 GLN 34 7.469 -10.525 -10.525 323 1HG GLN 34 HG2 GLN 34 8.371 -9.209 -9.209 324 2HG GLN 34 HG1 GLN 34 9.833 -9.267 -9.267 325 1HE2 GLN 34 HE22 GLN 34 10.127 -12.827 -12.827 326 2HE2 GLN 34 HE21 GLN 34 10.575 -11.456 -11.456 327 H ASN 35 HN ASN 35 5.591 -6.897 -6.897 328 HA ASN 35 HA ASN 35 3.409 -8.839 -8.839 329 1HB ASN 35 HB2 ASN 35 5.144 -7.727 -7.727 330 2HB ASN 35 HB1 ASN 35 3.425 -7.940 -7.940 331 1HD2 ASN 35 HD22 ASN 35 3.672 -11.571 -11.571 332 2HD2 ASN 35 HD21 ASN 35 2.720 -10.275 -10.275 333 H TRP 36 HN TRP 36 4.099 -5.916 -5.916 334 HA TRP 36 HA TRP 36 1.411 -4.869 -4.869 335 1HB TRP 36 HB2 TRP 36 3.841 -3.064 -3.064 336 2HB TRP 36 HB1 TRP 36 2.164 -2.634 -2.634 337 HD1 TRP 36 HD1 TRP 36 4.809 -5.187 -5.187 338 HE1 TRP 36 HE1 TRP 36 4.483 -5.401 -5.401 339 HE3 TRP 36 HE3 TRP 36 0.715 -2.121 -2.121 340 HZ2 TRP 36 HZ2 TRP 36 2.822 -4.419 -4.419 341 HZ3 TRP 36 HZ3 TRP 36 -0.148 -1.773 -1.773 342 HH2 TRP 36 HH2 TRP 36 0.884 -2.922 -2.922 343 H TYR 37 HN TYR 37 0.781 -3.118 -3.118 344 HA TYR 37 HA TYR 37 2.455 -2.928 -2.928 345 1HB TYR 37 HB2 TYR 37 -0.510 -3.521 -3.521 346 2HB TYR 37 HB1 TYR 37 0.598 -3.410 -3.410 347 HD1 TYR 37 HD1 TYR 37 2.874 -5.078 -5.078 348 HD2 TYR 37 HD2 TYR 37 -1.357 -5.626 -5.626 349 HE1 TYR 37 HE1 TYR 37 3.197 -7.538 -7.538 350 HE2 TYR 37 HE2 TYR 37 -1.062 -8.067 -8.067 351 HH TYR 37 HH TYR 37 1.406 -9.642 -9.642 352 H LYS 38 HN LYS 38 1.906 -1.023 -1.023 353 HA LYS 38 HA LYS 38 0.435 1.045 1.045 354 1HB LYS 38 HB2 LYS 38 2.565 1.566 1.566 355 2HB LYS 38 HB1 LYS 38 1.643 1.283 1.283 356 1HG LYS 38 HG2 LYS 38 -0.046 2.963 2.963 357 2HG LYS 38 HG1 LYS 38 1.511 3.546 3.546 358 1HD LYS 38 HD2 LYS 38 1.750 3.079 3.079 359 2HD LYS 38 HD1 LYS 38 0.288 4.015 4.015 360 1HE LYS 38 HE2 LYS 38 1.862 5.385 5.385 361 2HE LYS 38 HE1 LYS 38 3.126 4.743 4.743 362 1HZ LYS 38 HZ3 LYS 38 1.562 5.549 5.549 363 2HZ LYS 38 HZ2 LYS 38 0.890 6.537 6.537 364 3HZ LYS 38 HZ1 LYS 38 2.535 6.678 6.678 365 H ALA 39 HN ALA 39 -1.705 1.605 1.605 366 HA ALA 39 HA ALA 39 -2.846 0.922 0.922 367 1HB ALA 39 HB2 ALA 39 -2.844 -1.259 -1.259 368 2HB ALA 39 HB1 ALA 39 -3.815 -0.557 -0.557 369 3HB ALA 39 HB3 ALA 39 -4.482 -0.676 -0.676 370 H GLU 40 HN GLU 40 -5.398 1.044 1.044 371 HA GLU 40 HA GLU 40 -5.981 3.339 3.339 372 1HB GLU 40 HB2 GLU 40 -5.717 4.858 4.858 373 2HB GLU 40 HB1 GLU 40 -5.008 3.591 3.591 374 1HG GLU 40 HG2 GLU 40 -7.206 3.126 3.126 375 2HG GLU 40 HG1 GLU 40 -7.976 4.294 4.294 376 H LEU 41 HN LEU 41 -7.940 3.512 3.512 377 HA LEU 41 HA LEU 41 -10.008 1.666 1.666 378 1HB LEU 41 HB2 LEU 41 -9.555 2.900 2.900 379 2HB LEU 41 HB1 LEU 41 -11.230 2.601 2.601 380 HG LEU 41 HG LEU 41 -9.140 0.507 0.507 381 1HD1 LEU 41 HD11 LEU 41 -10.548 1.381 1.381 382 2HD1 LEU 41 HD13 LEU 41 -10.253 -0.340 -0.340 383 3HD1 LEU 41 HD12 LEU 41 -8.899 0.789 0.789 384 1HD2 LEU 41 HD23 LEU 41 -11.376 0.374 0.374 385 2HD2 LEU 41 HD22 LEU 41 -11.094 -0.946 -0.946 386 3HD2 LEU 41 HD21 LEU 41 -12.125 0.410 0.410 387 H ASN 42 HN ASN 42 -10.762 2.594 2.594 388 HA ASN 42 HA ASN 42 -11.882 4.169 4.169 389 1HB ASN 42 HB2 ASN 42 -13.311 3.772 3.772 390 2HB ASN 42 HB1 ASN 42 -13.901 5.054 5.054 391 1HD2 ASN 42 HD22 ASN 42 -14.933 1.315 1.315 392 2HD2 ASN 42 HD21 ASN 42 -14.410 1.854 1.854 393 H GLY 43 HN GLY 43 -9.731 5.508 5.508 394 1HA GLY 43 HA2 GLY 43 -9.727 8.093 8.093 395 2HA GLY 43 HA1 GLY 43 -10.917 8.150 8.150 396 H LYS 44 HN LYS 44 -9.703 6.324 6.324 397 HA LYS 44 HA LYS 44 -7.569 7.976 7.976 398 1HB LYS 44 HB2 LYS 44 -9.195 5.709 5.709 399 2HB LYS 44 HB1 LYS 44 -7.597 6.007 6.007 400 1HG LYS 44 HG2 LYS 44 -9.242 7.264 7.264 401 2HG LYS 44 HG1 LYS 44 -8.203 8.370 8.370 402 1HD LYS 44 HD2 LYS 44 -10.491 9.127 9.127 403 2HD LYS 44 HD1 LYS 44 -9.970 8.457 8.457 404 1HE LYS 44 HE2 LYS 44 -10.980 6.232 6.232 405 2HE LYS 44 HE1 LYS 44 -12.034 7.490 7.490 406 1HZ LYS 44 HZ1 LYS 44 -11.421 7.265 7.265 407 2HZ LYS 44 HZ3 LYS 44 -12.717 6.435 6.435 408 3HZ LYS 44 HZ2 LYS 44 -12.677 8.134 8.134 409 H ASP 45 HN ASP 45 -5.704 6.664 6.664 410 HA ASP 45 HA ASP 45 -4.965 4.376 4.376 411 1HB ASP 45 HB2 ASP 45 -3.676 5.259 5.259 412 2HB ASP 45 HB1 ASP 45 -4.798 6.587 6.587 413 H GLY 46 HN GLY 46 -2.384 4.136 4.136 414 1HA GLY 46 HA2 GLY 46 -0.506 4.796 4.796 415 2HA GLY 46 HA1 GLY 46 -1.695 4.672 4.672 416 H PHE 47 HN PHE 47 0.518 3.170 3.170 417 HA PHE 47 HA PHE 47 0.655 0.621 0.621 418 1HB PHE 47 HB2 PHE 47 1.353 1.426 1.426 419 2HB PHE 47 HB1 PHE 47 1.868 -0.072 -0.072 420 HD1 PHE 47 HD1 PHE 47 3.194 0.110 0.110 421 HD2 PHE 47 HD2 PHE 47 2.580 3.419 3.419 422 HE1 PHE 47 HE1 PHE 47 5.107 1.301 1.301 423 HE2 PHE 47 HE2 PHE 47 4.492 4.611 4.611 424 HZ PHE 47 HZ PHE 47 5.755 3.551 3.551 425 H ILE 48 HN ILE 48 0.076 -1.499 -1.499 426 HA ILE 48 HA ILE 48 -2.152 -1.567 -1.567 427 HB ILE 48 HB ILE 48 -3.437 -3.096 -3.096 428 1HG1 ILE 48 HG12 ILE 48 -2.170 -1.455 -1.455 429 2HG1 ILE 48 HG11 ILE 48 -1.304 -2.882 -2.882 430 1HG2 ILE 48 HG22 ILE 48 -3.763 -0.538 -0.538 431 2HG2 ILE 48 HG21 ILE 48 -3.450 -0.304 -0.304 432 3HG2 ILE 48 HG23 ILE 48 -4.793 -1.320 -1.320 433 1HD1 ILE 48 HD11 ILE 48 -4.205 -3.241 -3.241 434 2HD1 ILE 48 HD13 ILE 48 -3.187 -2.976 -2.976 435 3HD1 ILE 48 HD12 ILE 48 -2.857 -4.330 -4.330 436 HA PRO 49 HA PRO 49 0.563 -5.074 -5.074 437 1HB PRO 49 HB2 PRO 49 -0.832 -6.114 -6.114 438 2HB PRO 49 HB1 PRO 49 0.379 -4.819 -4.819 439 1HG PRO 49 HG2 PRO 49 -2.631 -4.619 -4.619 440 2HG PRO 49 HG1 PRO 49 -1.444 -3.614 -3.614 441 1HD PRO 49 HD2 PRO 49 -2.702 -2.814 -2.814 442 2HD PRO 49 HD1 PRO 49 -1.159 -2.202 -2.202 443 H LYS 50 HN LYS 50 0.287 -6.485 -6.485 444 HA LYS 50 HA LYS 50 -1.952 -7.610 -7.610 445 1HB LYS 50 HB2 LYS 50 0.235 -7.846 -7.846 446 2HB LYS 50 HB1 LYS 50 0.812 -8.747 -8.747 447 1HG LYS 50 HG2 LYS 50 -1.555 -9.962 -9.962 448 2HG LYS 50 HG1 LYS 50 -0.168 -9.874 -9.874 449 1HD LYS 50 HD2 LYS 50 1.085 -10.707 -10.707 450 2HD LYS 50 HD1 LYS 50 -0.508 -11.431 -11.431 451 1HE LYS 50 HE2 LYS 50 0.743 -11.714 -11.714 452 2HE LYS 50 HE1 LYS 50 1.363 -12.714 -12.714 453 1HZ LYS 50 HZ2 LYS 50 -0.916 -13.452 -13.452 454 2HZ LYS 50 HZ1 LYS 50 -1.463 -12.544 -12.544 455 3HZ LYS 50 HZ3 LYS 50 -0.411 -13.851 -13.851 456 H ASN 51 HN ASN 51 -0.731 -8.485 -8.485 457 HA ASN 51 HA ASN 51 -1.645 -11.075 -11.075 458 1HB ASN 51 HB2 ASN 51 -1.044 -8.912 -8.912 459 2HB ASN 51 HB1 ASN 51 -1.947 -10.239 -10.239 460 1HD2 ASN 51 HD22 ASN 51 1.668 -11.313 -11.313 461 2HD2 ASN 51 HD21 ASN 51 0.626 -10.300 -10.300 462 H TYR 52 HN TYR 52 -3.313 -8.072 -8.072 463 HA TYR 52 HA TYR 52 -5.902 -9.389 -9.389 464 1HB TYR 52 HB2 TYR 52 -4.909 -6.543 -6.543 465 2HB TYR 52 HB1 TYR 52 -6.624 -6.892 -6.892 466 HD1 TYR 52 HD1 TYR 52 -3.571 -8.163 -8.163 467 HD2 TYR 52 HD2 TYR 52 -7.590 -6.757 -6.757 468 HE1 TYR 52 HE1 TYR 52 -3.525 -8.356 -8.356 469 HE2 TYR 52 HE2 TYR 52 -7.551 -6.923 -6.923 470 HH TYR 52 HH TYR 52 -5.428 -8.708 -8.708 471 H ILE 53 HN ILE 53 -4.497 -9.688 -9.688 472 HA ILE 53 HA ILE 53 -6.543 -8.799 -8.799 473 HB ILE 53 HB ILE 53 -3.964 -8.004 -8.004 474 1HG1 ILE 53 HG12 ILE 53 -5.219 -6.217 -6.217 475 2HG1 ILE 53 HG11 ILE 53 -3.794 -7.212 -7.212 476 1HG2 ILE 53 HG23 ILE 53 -6.450 -7.605 -7.605 477 2HG2 ILE 53 HG22 ILE 53 -6.239 -6.138 -6.138 478 3HG2 ILE 53 HG21 ILE 53 -5.137 -6.515 -6.515 479 1HD1 ILE 53 HD13 ILE 53 -2.984 -6.065 -6.065 480 2HD1 ILE 53 HD12 ILE 53 -4.109 -4.815 -4.815 481 3HD1 ILE 53 HD11 ILE 53 -2.759 -5.283 -5.283 482 H GLU 54 HN GLU 54 -5.899 -9.363 -9.363 483 HA GLU 54 HA GLU 54 -3.990 -11.435 -11.435 484 1HB GLU 54 HB2 GLU 54 -6.836 -11.989 -11.989 485 2HB GLU 54 HB1 GLU 54 -6.122 -12.557 -12.557 486 1HG GLU 54 HG2 GLU 54 -4.434 -13.817 -13.817 487 2HG GLU 54 HG1 GLU 54 -5.026 -13.176 -13.176 488 H MET 55 HN MET 55 -3.581 -11.606 -11.606 489 HA MET 55 HA MET 55 -4.484 -9.122 -9.122 490 1HB MET 55 HB2 MET 55 -2.607 -9.717 -9.717 491 2HB MET 55 HB1 MET 55 -2.141 -9.209 -9.209 492 1HG MET 55 HG2 MET 55 -1.425 -11.300 -11.300 493 2HG MET 55 HG1 MET 55 -2.593 -12.118 -12.118 494 1HE MET 55 HE1 MET 55 -0.282 -13.377 -13.377 495 2HE MET 55 HE3 MET 55 0.891 -13.360 -13.360 496 3HE MET 55 HE2 MET 55 1.087 -12.269 -12.269 497 H LYS 56 HN LYS 56 -6.137 -9.236 -9.236 498 HA LYS 56 HA LYS 56 -6.515 -11.640 -11.640 499 1HB LYS 56 HB2 LYS 56 -8.311 -9.704 -9.704 500 2HB LYS 56 HB1 LYS 56 -8.812 -10.402 -10.402 501 1HG LYS 56 HG2 LYS 56 -8.193 -12.666 -12.666 502 2HG LYS 56 HG1 LYS 56 -8.106 -11.830 -11.830 503 1HD LYS 56 HD2 LYS 56 -10.543 -11.875 -11.875 504 2HD LYS 56 HD1 LYS 56 -10.341 -12.883 -12.883 505 1HE LYS 56 HE2 LYS 56 -11.016 -11.206 -11.206 506 2HE LYS 56 HE1 LYS 56 -9.825 -10.105 -10.105 507 1HZ LYS 56 HZ1 LYS 56 -12.179 -10.714 -10.714 508 2HZ LYS 56 HZ3 LYS 56 -12.414 -9.725 -9.725 509 3HZ LYS 56 HZ2 LYS 56 -11.308 -9.262 -9.262 510 HA PRO 57 HA PRO 57 -5.824 -9.391 -9.391 511 1HB PRO 57 HB2 PRO 57 -7.181 -10.894 -10.894 512 2HB PRO 57 HB1 PRO 57 -5.616 -11.352 -11.352 513 1HG PRO 57 HG2 PRO 57 -8.309 -12.400 -12.400 514 2HG PRO 57 HG1 PRO 57 -6.744 -13.170 -13.170 515 1HD PRO 57 HD2 PRO 57 -8.285 -12.024 -12.024 516 2HD PRO 57 HD1 PRO 57 -6.590 -12.548 -12.548 517 H HIS 58 HN HIS 58 -7.425 -8.981 -8.981 518 HA HIS 58 HA HIS 58 -9.268 -6.944 -6.944 519 1HB HIS 58 HB2 HIS 58 -8.788 -8.305 -8.305 520 2HB HIS 58 HB1 HIS 58 -9.979 -7.022 -7.022 521 HD1 HIS 58 HD1 HIS 58 -8.973 -4.914 -4.914 522 HD2 HIS 58 HD2 HIS 58 -6.201 -7.164 -7.164 523 HE1 HIS 58 HE1 HIS 58 -6.844 -3.542 -3.542 524 HA PRO 59 HA PRO 59 -12.928 -9.368 -9.368 525 1HB PRO 59 HB2 PRO 59 -14.887 -7.611 -7.611 526 2HB PRO 59 HB1 PRO 59 -14.020 -7.484 -7.484 527 1HG PRO 59 HG2 PRO 59 -13.710 -5.830 -5.830 528 2HG PRO 59 HG1 PRO 59 -13.372 -5.401 -5.401 529 1HD PRO 59 HD2 PRO 59 -11.442 -6.124 -6.124 530 2HD PRO 59 HD1 PRO 59 -11.169 -6.014 -6.014 531 H GLU 60 HN GLU 60 -14.383 -10.695 -10.695 532 HA GLU 60 HA GLU 60 -14.976 -12.029 -12.029 533 1HB GLU 60 HB2 GLU 60 -16.384 -10.852 -10.852 534 2HB GLU 60 HB1 GLU 60 -16.671 -10.207 -10.207 535 1HG GLU 60 HG2 GLU 60 -15.375 -8.246 -8.246 536 2HG GLU 60 HG1 GLU 60 -14.724 -8.935 -8.935 537 H PHE 61 HN PHE 61 -14.971 -11.631 -11.631 538 HA PHE 61 HA PHE 61 -12.441 -10.658 -10.658 539 1HB PHE 61 HB2 PHE 61 -11.786 -12.779 -12.779 540 2HB PHE 61 HB1 PHE 61 -12.720 -13.670 -13.670 541 HD1 PHE 61 HD2 PHE 61 -9.938 -11.199 -11.199 542 HD2 PHE 61 HD1 PHE 61 -11.779 -14.210 -14.210 543 HE1 PHE 61 HE2 PHE 61 -8.018 -11.099 -11.099 544 HE2 PHE 61 HE1 PHE 61 -9.859 -14.111 -14.111 545 HZ PHE 61 HZ PHE 61 -7.979 -12.556 -12.556 546 H ILE 62 HN ILE 62 -14.877 -13.228 -13.228 547 HA ILE 62 HA ILE 62 -15.114 -12.193 -12.193 548 HB ILE 62 HB ILE 62 -14.289 -14.527 -14.527 549 1HG1 ILE 62 HG12 ILE 62 -16.192 -15.593 -15.593 550 2HG1 ILE 62 HG11 ILE 62 -17.102 -14.111 -14.111 551 1HG2 ILE 62 HG23 ILE 62 -16.869 -14.959 -14.959 552 2HG2 ILE 62 HG22 ILE 62 -15.912 -16.273 -16.273 553 3HG2 ILE 62 HG21 ILE 62 -15.226 -15.245 -15.245 554 1HD1 ILE 62 HD13 ILE 62 -15.283 -12.795 -12.795 555 2HD1 ILE 62 HD12 ILE 62 -14.393 -14.285 -14.285 556 3HD1 ILE 62 HD11 ILE 62 -15.931 -13.989 -13.989 557 H VAL 63 HN VAL 63 -17.221 -11.848 -11.848 558 HA VAL 63 HA VAL 63 -19.379 -11.779 -11.779 559 HB VAL 63 HB VAL 63 -19.201 -10.186 -10.186 560 1HG1 VAL 63 HG13 VAL 63 -21.052 -10.164 -10.164 561 2HG1 VAL 63 HG12 VAL 63 -20.917 -8.785 -8.785 562 3HG1 VAL 63 HG11 VAL 63 -21.476 -10.343 -10.343 563 1HG2 VAL 63 HG23 VAL 63 -17.394 -9.653 -9.653 564 2HG2 VAL 63 HG22 VAL 63 -18.494 -8.310 -8.310 565 3HG2 VAL 63 HG21 VAL 63 -18.660 -9.264 -9.264 566 H THR 64 HN THR 64 -21.337 -12.798 -12.798 567 HA THR 64 HA THR 64 -21.416 -14.364 -14.364 568 HB THR 64 HB THR 64 -23.192 -15.677 -15.677 569 HG1 THR 64 HG1 THR 64 -22.806 -15.493 -15.493 570 1HG2 THR 64 HG23 THR 64 -20.900 -16.375 -16.375 571 2HG2 THR 64 HG22 THR 64 -20.274 -16.073 -16.073 572 3HG2 THR 64 HG21 THR 64 -21.525 -17.292 -17.292 573 H ASP 65 HN ASP 65 -23.735 -13.059 -13.059 574 HA ASP 65 HA ASP 65 -25.417 -12.153 -12.153 575 1HB ASP 65 HB2 ASP 65 -26.115 -13.694 -13.694 576 2HB ASP 65 HB1 ASP 65 -27.265 -12.459 -12.459 577 1H SER 1 HT1 SER 1 -12.934 -15.272 -15.272 578 2H SER 1 HT3 SER 1 -11.460 -14.512 -14.512 579 3H SER 1 HT2 SER 1 -12.040 -15.754 -15.754 580 HA SER 1 HA SER 1 -11.782 -17.364 -17.364 581 1HB SER 1 HB2 SER 1 -9.218 -17.049 -17.049 582 2HB SER 1 HB1 SER 1 -9.865 -17.247 -17.247 583 HG SER 1 HG SER 1 -8.497 -15.476 -15.476 584 HA PRO 2 HA PRO 2 -11.684 -15.836 -15.836 585 1HB PRO 2 HB2 PRO 2 -10.411 -17.890 -17.890 586 2HB PRO 2 HB1 PRO 2 -12.090 -17.977 -17.977 587 1HG PRO 2 HG2 PRO 2 -9.660 -19.275 -19.275 588 2HG PRO 2 HG1 PRO 2 -11.354 -19.785 -19.785 589 1HD PRO 2 HD2 PRO 2 -9.904 -18.480 -18.480 590 2HD PRO 2 HD1 PRO 2 -11.668 -18.690 -18.690 591 H LEU 3 HN LEU 3 -10.269 -14.865 -14.865 592 HA LEU 3 HA LEU 3 -8.316 -13.786 -13.786 593 1HB LEU 3 HB2 LEU 3 -7.640 -16.453 -16.453 594 2HB LEU 3 HB1 LEU 3 -6.421 -15.611 -15.611 595 HG LEU 3 HG LEU 3 -7.102 -14.857 -14.857 596 1HD1 LEU 3 HD12 LEU 3 -6.131 -17.234 -17.234 597 2HD1 LEU 3 HD11 LEU 3 -4.648 -16.390 -16.390 598 3HD1 LEU 3 HD13 LEU 3 -5.319 -16.197 -16.197 599 1HD2 LEU 3 HD21 LEU 3 -5.899 -13.311 -13.311 600 2HD2 LEU 3 HD23 LEU 3 -5.303 -13.387 -13.387 601 3HD2 LEU 3 HD22 LEU 3 -4.504 -14.317 -14.317 602 H LEU 4 HN LEU 4 -8.130 -11.882 -11.882 603 HA LEU 4 HA LEU 4 -7.074 -11.964 -11.964 604 1HB LEU 4 HB2 LEU 4 -9.109 -10.369 -10.369 605 2HB LEU 4 HB1 LEU 4 -7.875 -9.324 -9.324 606 HG LEU 4 HG LEU 4 -9.671 -9.761 -9.761 607 1HD1 LEU 4 HD12 LEU 4 -7.165 -9.621 -9.621 608 2HD1 LEU 4 HD11 LEU 4 -7.273 -11.363 -11.363 609 3HD1 LEU 4 HD13 LEU 4 -8.278 -10.265 -10.265 610 1HD2 LEU 4 HD22 LEU 4 -9.909 -12.202 -12.202 611 2HD2 LEU 4 HD21 LEU 4 -10.458 -11.860 -11.860 612 3HD2 LEU 4 HD23 LEU 4 -8.891 -12.628 -12.628 613 HA PRO 5 HA PRO 5 -3.455 -10.426 -10.426 614 1HB PRO 5 HB2 PRO 5 -1.596 -11.098 -11.098 615 2HB PRO 5 HB1 PRO 5 -2.187 -12.224 -12.224 616 1HG PRO 5 HG2 PRO 5 -2.868 -12.100 -12.100 617 2HG PRO 5 HG1 PRO 5 -2.874 -13.493 -13.493 618 1HD PRO 5 HD2 PRO 5 -5.160 -12.069 -12.069 619 2HD PRO 5 HD1 PRO 5 -5.087 -13.190 -13.190 620 H LYS 6 HN LYS 6 -3.593 -8.205 -8.205 621 HA LYS 6 HA LYS 6 -3.585 -6.843 -6.843 622 1HB LYS 6 HB2 LYS 6 -3.903 -4.786 -4.786 623 2HB LYS 6 HB1 LYS 6 -5.121 -6.018 -6.018 624 1HG LYS 6 HG2 LYS 6 -2.710 -6.273 -6.273 625 2HG LYS 6 HG1 LYS 6 -3.584 -4.760 -4.760 626 1HD LYS 6 HD2 LYS 6 -5.496 -5.823 -5.823 627 2HD LYS 6 HD1 LYS 6 -5.156 -7.305 -7.305 628 1HE LYS 6 HE2 LYS 6 -3.275 -7.785 -7.785 629 2HE LYS 6 HE1 LYS 6 -3.673 -6.331 -6.331 630 1HZ LYS 6 HZ2 LYS 6 -6.019 -7.415 -7.415 631 2HZ LYS 6 HZ1 LYS 6 -5.163 -8.852 -8.852 632 3HZ LYS 6 HZ3 LYS 6 -4.816 -7.927 -7.927 633 H LEU 7 HN LEU 7 -1.203 -8.063 -8.063 634 HA LEU 7 HA LEU 7 1.118 -7.696 -7.696 635 1HB LEU 7 HB2 LEU 7 0.004 -4.891 -4.891 636 2HB LEU 7 HB1 LEU 7 1.739 -5.187 -5.187 637 HG LEU 7 HG LEU 7 0.887 -5.063 -5.063 638 1HD1 LEU 7 HD12 LEU 7 2.607 -6.899 -6.899 639 2HD1 LEU 7 HD11 LEU 7 1.342 -7.995 -7.995 640 3HD1 LEU 7 HD13 LEU 7 2.090 -6.862 -6.862 641 1HD2 LEU 7 HD22 LEU 7 -1.451 -5.841 -5.841 642 2HD2 LEU 7 HD21 LEU 7 -0.798 -6.576 -6.576 643 3HD2 LEU 7 HD23 LEU 7 -0.819 -7.487 -7.487 644 HA PRO 8 HA PRO 8 1.355 -7.047 -7.047 645 1HB PRO 8 HB2 PRO 8 3.238 -8.997 -8.997 646 2HB PRO 8 HB1 PRO 8 1.493 -9.303 -9.303 647 1HG PRO 8 HG2 PRO 8 3.593 -9.926 -9.926 648 2HG PRO 8 HG1 PRO 8 2.048 -10.739 -10.739 649 1HD PRO 8 HD2 PRO 8 2.551 -8.913 -8.913 650 2HD PRO 8 HD1 PRO 8 0.946 -9.432 -9.432 651 HA PRO 9 HA PRO 9 5.082 -4.602 -4.602 652 1HB PRO 9 HB2 PRO 9 5.200 -3.791 -3.791 653 2HB PRO 9 HB1 PRO 9 4.062 -3.116 -3.116 654 1HG PRO 9 HG2 PRO 9 3.526 -4.994 -4.994 655 2HG PRO 9 HG1 PRO 9 2.418 -3.877 -3.877 656 1HD PRO 9 HD2 PRO 9 2.604 -6.692 -6.692 657 2HD PRO 9 HD1 PRO 9 1.661 -5.533 -5.533 658 H LYS 10 HN LYS 10 4.794 -7.418 -7.418 659 HA LYS 10 HA LYS 10 6.393 -8.872 -8.872 660 1HB LYS 10 HB2 LYS 10 7.534 -9.053 -9.053 661 2HB LYS 10 HB1 LYS 10 7.963 -7.355 -7.355 662 1HG LYS 10 HG2 LYS 10 9.157 -8.823 -8.823 663 2HG LYS 10 HG1 LYS 10 9.679 -9.401 -9.401 664 1HD LYS 10 HD2 LYS 10 10.155 -6.996 -6.996 665 2HD LYS 10 HD1 LYS 10 9.855 -6.566 -6.566 666 1HE LYS 10 HE2 LYS 10 11.928 -7.212 -7.212 667 2HE LYS 10 HE1 LYS 10 11.683 -8.806 -8.806 668 1HZ LYS 10 HZ2 LYS 10 12.112 -7.696 -7.696 669 2HZ LYS 10 HZ1 LYS 10 12.654 -6.344 -6.344 670 3HZ LYS 10 HZ3 LYS 10 13.454 -7.831 -7.831 671 H THR 11 HN THR 11 7.777 -8.907 -8.907 672 HA THR 11 HA THR 11 8.444 -6.206 -6.206 673 HB THR 11 HB THR 11 7.884 -8.495 -8.495 674 HG1 THR 11 HG1 THR 11 5.787 -8.455 -8.455 675 1HG2 THR 11 HG21 THR 11 8.606 -6.143 -6.143 676 2HG2 THR 11 HG23 THR 11 7.018 -5.604 -5.604 677 3HG2 THR 11 HG22 THR 11 7.151 -6.756 -6.756 678 H TYR 12 HN TYR 12 10.292 -7.770 -7.770 679 HA TYR 12 HA TYR 12 12.492 -8.569 -8.569 680 1HB TYR 12 HB2 TYR 12 12.162 -6.827 -6.827 681 2HB TYR 12 HB1 TYR 12 13.562 -7.899 -7.899 682 HD1 TYR 12 HD2 TYR 12 15.037 -7.920 -7.920 683 HD2 TYR 12 HD1 TYR 12 12.220 -4.813 -4.813 684 HE1 TYR 12 HE2 TYR 12 16.210 -6.389 -6.389 685 HE2 TYR 12 HE1 TYR 12 13.395 -3.282 -3.282 686 HH TYR 12 HH TYR 12 15.719 -4.372 -4.372 687 H LYS 13 HN LYS 13 12.166 -8.969 -8.969 688 HA LYS 13 HA LYS 13 11.273 -11.688 -11.688 689 1HB LYS 13 HB2 LYS 13 13.444 -12.831 -12.831 690 2HB LYS 13 HB1 LYS 13 13.392 -12.084 -12.084 691 1HG LYS 13 HG2 LYS 13 14.389 -10.163 -10.163 692 2HG LYS 13 HG1 LYS 13 15.322 -11.655 -11.655 693 1HD LYS 13 HD2 LYS 13 16.157 -11.474 -11.474 694 2HD LYS 13 HD1 LYS 13 14.732 -10.625 -10.625 695 1HE LYS 13 HE2 LYS 13 15.572 -8.578 -8.578 696 2HE LYS 13 HE1 LYS 13 16.263 -9.153 -9.153 697 1HZ LYS 13 HZ1 LYS 13 17.946 -10.336 -10.336 698 2HZ LYS 13 HZ3 LYS 13 17.396 -9.346 -9.346 699 3HZ LYS 13 HZ2 LYS 13 18.087 -8.648 -8.648 700 H ARG 14 HN ARG 14 12.716 -12.703 -12.703 701 HA ARG 14 HA ARG 14 12.407 -10.595 -10.595 702 1HB ARG 14 HB2 ARG 14 11.516 -12.353 -12.353 703 2HB ARG 14 HB1 ARG 14 10.476 -12.105 -12.105 704 1HG ARG 14 HG2 ARG 14 10.596 -14.373 -14.373 705 2HG ARG 14 HG1 ARG 14 12.159 -14.048 -14.048 706 1HD ARG 14 HD2 ARG 14 12.439 -15.731 -15.731 707 2HD ARG 14 HD1 ARG 14 13.221 -14.239 -14.239 708 HE ARG 14 HE ARG 14 10.736 -13.979 -13.979 709 1HH1 ARG 14 HH11 ARG 14 10.292 -16.878 -16.878 710 2HH1 ARG 14 HH12 ARG 14 11.033 -17.402 -17.402 711 1HH2 ARG 14 HH21 ARG 14 12.887 -14.502 -14.502 712 2HH2 ARG 14 HH22 ARG 14 12.501 -16.058 -16.058 713 H GLU 15 HN GLU 15 13.385 -11.785 -11.785 714 HA GLU 15 HA GLU 15 16.206 -11.878 -11.878 715 1HB GLU 15 HB2 GLU 15 15.037 -11.364 -11.364 716 2HB GLU 15 HB1 GLU 15 14.719 -13.092 -13.092 717 1HG GLU 15 HG2 GLU 15 17.356 -13.206 -13.206 718 2HG GLU 15 HG1 GLU 15 17.292 -11.612 -11.612 Start of MODEL 18 1 1H GLY -8 HT1 GLY -8 15.243 -6.444 -6.444 2 2H GLY -8 HT3 GLY -8 15.937 -5.922 -5.922 3 3H GLY -8 HT2 GLY -8 14.262 -6.184 -6.184 4 1HA GLY -8 HA1 GLY -8 14.299 -3.982 -3.982 5 2HA GLY -8 HA2 GLY -8 15.984 -3.835 -3.835 6 H SER -7 HN SER -7 14.513 -2.145 -2.145 7 HA SER -7 HA SER -7 13.144 -1.347 -1.347 8 1HB SER -7 HB2 SER -7 13.689 -4.176 -4.176 9 2HB SER -7 HB1 SER -7 12.593 -3.160 -3.160 10 HG SER -7 HG SER -7 15.048 -3.184 -3.184 11 H ARG -6 HN ARG -6 11.629 -4.564 -4.564 12 HA ARG -6 HA ARG -6 9.451 -5.260 -5.260 13 1HB ARG -6 HB2 ARG -6 10.308 -4.398 -4.398 14 2HB ARG -6 HB1 ARG -6 9.232 -3.035 -3.035 15 1HG ARG -6 HG2 ARG -6 7.915 -4.624 -4.624 16 2HG ARG -6 HG1 ARG -6 7.412 -4.770 -4.770 17 1HD ARG -6 HD2 ARG -6 7.781 -6.996 -6.996 18 2HD ARG -6 HD1 ARG -6 9.456 -6.556 -6.556 19 HE ARG -6 HE ARG -6 9.175 -6.124 -6.124 20 1HH1 ARG -6 HH11 ARG -6 7.289 -8.544 -8.544 21 2HH1 ARG -6 HH12 ARG -6 8.193 -9.858 -9.858 22 1HH2 ARG -6 HH21 ARG -6 10.931 -7.897 -7.897 23 2HH2 ARG -6 HH22 ARG -6 10.255 -9.492 -9.492 24 H ARG -5 HN ARG -5 8.089 -4.784 -4.784 25 HA ARG -5 HA ARG -5 7.115 -1.962 -1.962 26 1HB ARG -5 HB2 ARG -5 7.813 -4.027 -4.027 27 2HB ARG -5 HB1 ARG -5 6.571 -2.831 -2.831 28 1HG ARG -5 HG2 ARG -5 8.064 -1.033 -1.033 29 2HG ARG -5 HG1 ARG -5 9.209 -1.953 -1.953 30 1HD ARG -5 HD2 ARG -5 9.469 -3.462 -3.462 31 2HD ARG -5 HD1 ARG -5 8.705 -2.139 -2.139 32 HE ARG -5 HE ARG -5 11.056 -1.456 -1.456 33 1HH1 ARG -5 HH11 ARG -5 9.420 -0.500 -0.500 34 2HH1 ARG -5 HH12 ARG -5 10.774 -0.445 -0.445 35 1HH2 ARG -5 HH21 ARG -5 12.918 -2.075 -2.075 36 2HH2 ARG -5 HH22 ARG -5 12.754 -1.335 -1.335 37 H ALA -4 HN ALA -4 5.030 -1.781 -1.781 38 HA ALA -4 HA ALA -4 3.161 -4.028 -4.028 39 1HB ALA -4 HB3 ALA -4 3.935 -3.927 -3.927 40 2HB ALA -4 HB2 ALA -4 3.003 -2.433 -2.433 41 3HB ALA -4 HB1 ALA -4 2.194 -3.951 -3.951 42 H SER -3 HN SER -3 0.799 -3.030 -3.030 43 HA SER -3 HA SER -3 0.631 -0.441 -0.441 44 1HB SER -3 HB2 SER -3 -0.573 -2.140 -2.140 45 2HB SER -3 HB1 SER -3 -1.319 -2.738 -2.738 46 HG SER -3 HG SER -3 -2.129 -0.778 -0.778 47 H VAL -2 HN VAL -2 -0.641 1.236 1.236 48 HA VAL -2 HA VAL -2 -0.764 1.417 1.417 49 HB VAL -2 HB VAL -2 -2.391 3.017 3.017 50 1HG1 VAL -2 HG11 VAL -2 -1.469 3.483 3.483 51 2HG1 VAL -2 HG13 VAL -2 -2.057 4.782 4.782 52 3HG1 VAL -2 HG12 VAL -2 -3.126 3.447 3.447 53 1HG2 VAL -2 HG21 VAL -2 0.506 3.027 3.027 54 2HG2 VAL -2 HG23 VAL -2 -0.272 3.441 3.441 55 3HG2 VAL -2 HG22 VAL -2 -0.281 4.594 4.594 56 H GLY -1 HN GLY -1 -2.171 0.414 0.414 57 1HA GLY -1 HA2 GLY -1 -4.970 0.446 0.446 58 2HA GLY -1 HA1 GLY -1 -4.456 -1.046 -1.046 59 H SER 0 HN SER 0 -2.397 -1.925 -1.925 60 HA SER 0 HA SER 0 -1.793 -3.018 -3.018 61 1HB SER 0 HB2 SER 0 -3.567 -1.437 -1.437 62 2HB SER 0 HB1 SER 0 -1.843 -1.767 -1.767 63 HG SER 0 HG SER 0 -2.739 0.478 0.478 64 H MET 1 HN MET 1 -3.031 -3.947 -3.947 65 HA MET 1 HA MET 1 -5.575 -5.145 -5.145 66 1HB MET 1 HB2 MET 1 -3.157 -6.390 -6.390 67 2HB MET 1 HB1 MET 1 -4.731 -7.074 -7.074 68 1HG MET 1 HG2 MET 1 -3.965 -8.251 -8.251 69 2HG MET 1 HG1 MET 1 -5.236 -7.153 -7.153 70 1HE MET 1 HE3 MET 1 -2.266 -8.686 -8.686 71 2HE MET 1 HE2 MET 1 -1.210 -7.679 -7.679 72 3HE MET 1 HE1 MET 1 -1.155 -7.543 -7.543 73 H GLU 2 HN GLU 2 -6.463 -6.427 -6.427 74 HA GLU 2 HA GLU 2 -6.602 -4.265 -4.265 75 1HB GLU 2 HB2 GLU 2 -8.654 -5.378 -5.378 76 2HB GLU 2 HB1 GLU 2 -8.867 -6.066 -6.066 77 1HG GLU 2 HG2 GLU 2 -9.246 -3.991 -3.991 78 2HG GLU 2 HG1 GLU 2 -8.361 -3.124 -3.124 79 H ALA 3 HN ALA 3 -7.509 -5.417 -5.417 80 HA ALA 3 HA ALA 3 -6.593 -8.157 -8.157 81 1HB ALA 3 HB1 ALA 3 -5.238 -5.861 -5.861 82 2HB ALA 3 HB3 ALA 3 -5.106 -7.530 -7.530 83 3HB ALA 3 HB2 ALA 3 -4.517 -7.081 -7.081 84 H ILE 4 HN ILE 4 -8.157 -9.039 -9.039 85 HA ILE 4 HA ILE 4 -10.197 -7.670 -7.670 86 HB ILE 4 HB ILE 4 -10.601 -9.808 -9.808 87 1HG1 ILE 4 HG12 ILE 4 -10.682 -10.744 -10.744 88 2HG1 ILE 4 HG11 ILE 4 -11.321 -9.112 -9.112 89 1HG2 ILE 4 HG21 ILE 4 -8.059 -10.441 -10.441 90 2HG2 ILE 4 HG23 ILE 4 -9.244 -11.596 -11.596 91 3HG2 ILE 4 HG22 ILE 4 -9.036 -11.385 -11.385 92 1HD1 ILE 4 HD13 ILE 4 -12.098 -11.334 -11.334 93 2HD1 ILE 4 HD12 ILE 4 -12.936 -11.065 -11.065 94 3HD1 ILE 4 HD11 ILE 4 -12.918 -9.804 -9.804 95 H ALA 5 HN ALA 5 -10.227 -6.764 -6.764 96 HA ALA 5 HA ALA 5 -8.078 -7.078 -7.078 97 1HB ALA 5 HB2 ALA 5 -10.799 -5.745 -5.745 98 2HB ALA 5 HB1 ALA 5 -9.783 -5.883 -5.883 99 3HB ALA 5 HB3 ALA 5 -9.207 -4.982 -4.982 100 H LYS 6 HN LYS 6 -7.930 -9.172 -9.172 101 HA LYS 6 HA LYS 6 -10.042 -11.014 -11.014 102 1HB LYS 6 HB2 LYS 6 -7.430 -10.826 -10.826 103 2HB LYS 6 HB1 LYS 6 -8.481 -12.242 -12.242 104 1HG LYS 6 HG2 LYS 6 -8.113 -12.591 -12.591 105 2HG LYS 6 HG1 LYS 6 -7.465 -10.967 -10.967 106 1HD LYS 6 HD2 LYS 6 -5.621 -12.540 -12.540 107 2HD LYS 6 HD1 LYS 6 -5.538 -11.588 -11.588 108 1HE LYS 6 HE2 LYS 6 -5.267 -13.731 -13.731 109 2HE LYS 6 HE1 LYS 6 -7.020 -13.573 -13.573 110 1HZ LYS 6 HZ3 LYS 6 -7.004 -14.551 -14.551 111 2HZ LYS 6 HZ2 LYS 6 -5.407 -15.024 -15.024 112 3HZ LYS 6 HZ1 LYS 6 -6.687 -15.602 -15.602 113 H TYR 7 HN TYR 7 -8.911 -8.496 -8.496 114 HA TYR 7 HA TYR 7 -11.263 -9.031 -9.031 115 1HB TYR 7 HB2 TYR 7 -8.587 -8.505 -8.505 116 2HB TYR 7 HB1 TYR 7 -10.036 -9.146 -9.146 117 HD1 TYR 7 HD2 TYR 7 -7.480 -9.958 -9.958 118 HD2 TYR 7 HD1 TYR 7 -10.237 -11.442 -11.442 119 HE1 TYR 7 HE2 TYR 7 -6.609 -12.242 -12.242 120 HE2 TYR 7 HE1 TYR 7 -9.374 -13.746 -13.746 121 HH TYR 7 HH TYR 7 -6.704 -14.552 -14.552 122 H ASP 8 HN ASP 8 -10.918 -7.260 -7.260 123 HA ASP 8 HA ASP 8 -11.091 -4.736 -4.736 124 1HB ASP 8 HB2 ASP 8 -12.053 -3.880 -3.880 125 2HB ASP 8 HB1 ASP 8 -12.744 -5.479 -5.479 126 H PHE 9 HN PHE 9 -9.942 -2.800 -2.800 127 HA PHE 9 HA PHE 9 -7.662 -3.001 -3.001 128 1HB PHE 9 HB2 PHE 9 -6.681 -4.369 -4.369 129 2HB PHE 9 HB1 PHE 9 -7.217 -3.258 -3.258 130 HD1 PHE 9 HD2 PHE 9 -6.152 -1.099 -1.099 131 HD2 PHE 9 HD1 PHE 9 -4.716 -3.916 -3.916 132 HE1 PHE 9 HE2 PHE 9 -4.005 0.159 0.159 133 HE2 PHE 9 HE1 PHE 9 -2.577 -2.674 -2.674 134 HZ PHE 9 HZ PHE 9 -2.220 -0.632 -0.632 135 H LYS 10 HN LYS 10 -6.351 -0.868 -0.868 136 HA LYS 10 HA LYS 10 -7.804 1.283 1.283 137 1HB LYS 10 HB2 LYS 10 -7.799 0.883 0.883 138 2HB LYS 10 HB1 LYS 10 -7.225 2.484 2.484 139 1HG LYS 10 HG2 LYS 10 -9.239 2.926 2.926 140 2HG LYS 10 HG1 LYS 10 -9.784 1.258 1.258 141 1HD LYS 10 HD2 LYS 10 -10.998 2.382 2.382 142 2HD LYS 10 HD1 LYS 10 -9.615 1.747 1.747 143 1HE LYS 10 HE2 LYS 10 -8.489 3.873 3.873 144 2HE LYS 10 HE1 LYS 10 -9.672 4.524 4.524 145 1HZ LYS 10 HZ2 LYS 10 -11.376 4.148 4.148 146 2HZ LYS 10 HZ1 LYS 10 -10.118 3.778 3.778 147 3HZ LYS 10 HZ3 LYS 10 -10.216 5.325 5.325 148 H ALA 11 HN ALA 11 -6.591 3.103 3.103 149 HA ALA 11 HA ALA 11 -3.857 2.629 2.629 150 1HB ALA 11 HB1 ALA 11 -5.307 4.336 4.336 151 2HB ALA 11 HB3 ALA 11 -5.100 5.366 5.366 152 3HB ALA 11 HB2 ALA 11 -3.692 4.907 4.907 153 H THR 12 HN THR 12 -2.076 2.920 2.920 154 HA THR 12 HA THR 12 -2.543 4.168 4.168 155 HB THR 12 HB THR 12 -0.427 2.753 2.753 156 HG1 THR 12 HG1 THR 12 -1.431 1.334 1.334 157 1HG2 THR 12 HG21 THR 12 -3.107 1.474 1.474 158 2HG2 THR 12 HG23 THR 12 -1.864 0.777 0.777 159 3HG2 THR 12 HG22 THR 12 -2.654 2.285 2.285 160 H ALA 13 HN ALA 13 -1.914 5.800 5.800 161 HA ALA 13 HA ALA 13 0.219 7.395 7.395 162 1HB ALA 13 HB3 ALA 13 1.032 5.279 5.279 163 2HB ALA 13 HB2 ALA 13 1.806 6.867 6.867 164 3HB ALA 13 HB1 ALA 13 1.911 5.878 5.878 165 H ASP 14 HN ASP 14 0.915 8.985 8.985 166 HA ASP 14 HA ASP 14 -1.365 10.030 10.030 167 1HB ASP 14 HB2 ASP 14 0.720 11.137 11.137 168 2HB ASP 14 HB1 ASP 14 1.448 10.868 10.868 169 H ASP 15 HN ASP 15 0.943 7.664 7.664 170 HA ASP 15 HA ASP 15 0.209 7.992 7.992 171 1HB ASP 15 HB2 ASP 15 2.615 8.525 8.525 172 2HB ASP 15 HB1 ASP 15 2.804 6.850 6.850 173 H GLU 16 HN GLU 16 -0.976 6.325 6.325 174 HA GLU 16 HA GLU 16 -0.487 3.632 3.632 175 1HB GLU 16 HB2 GLU 16 -0.167 4.109 4.109 176 2HB GLU 16 HB1 GLU 16 -1.925 4.140 4.140 177 1HG GLU 16 HG2 GLU 16 -2.075 1.899 1.899 178 2HG GLU 16 HG1 GLU 16 -0.944 1.858 1.858 179 H LEU 17 HN LEU 17 -2.581 2.252 2.252 180 HA LEU 17 HA LEU 17 -4.804 4.026 4.026 181 1HB LEU 17 HB2 LEU 17 -3.703 2.689 2.689 182 2HB LEU 17 HB1 LEU 17 -4.164 1.228 1.228 183 HG LEU 17 HG LEU 17 -6.567 1.971 1.971 184 1HD1 LEU 17 HD11 LEU 17 -5.432 4.398 4.398 185 2HD1 LEU 17 HD13 LEU 17 -6.035 3.741 3.741 186 3HD1 LEU 17 HD12 LEU 17 -7.132 3.963 3.963 187 1HD2 LEU 17 HD22 LEU 17 -4.806 1.206 1.206 188 2HD2 LEU 17 HD21 LEU 17 -6.171 0.340 0.340 189 3HD2 LEU 17 HD23 LEU 17 -6.457 1.690 1.690 190 H SER 18 HN SER 18 -6.939 3.492 3.492 191 HA SER 18 HA SER 18 -7.306 1.625 1.625 192 1HB SER 18 HB2 SER 18 -9.210 3.703 3.703 193 2HB SER 18 HB1 SER 18 -8.922 3.039 3.039 194 HG SER 18 HG SER 18 -8.024 5.099 5.099 195 H PHE 19 HN PHE 19 -9.083 0.151 0.151 196 HA PHE 19 HA PHE 19 -11.072 0.196 0.196 197 1HB PHE 19 HB2 PHE 19 -10.329 -1.701 -1.701 198 2HB PHE 19 HB1 PHE 19 -9.150 -0.399 -0.399 199 HD1 PHE 19 HD1 PHE 19 -9.916 -3.649 -3.649 200 HD2 PHE 19 HD2 PHE 19 -6.910 -0.727 -0.727 201 HE1 PHE 19 HE1 PHE 19 -8.150 -5.213 -5.213 202 HE2 PHE 19 HE2 PHE 19 -5.145 -2.285 -2.285 203 HZ PHE 19 HZ PHE 19 -5.765 -4.529 -4.529 204 H LYS 20 HN LYS 20 -12.409 -1.854 -1.854 205 HA LYS 20 HA LYS 20 -12.150 -3.131 -3.131 206 1HB LYS 20 HB2 LYS 20 -14.646 -2.650 -2.650 207 2HB LYS 20 HB1 LYS 20 -14.582 -3.345 -3.345 208 1HG LYS 20 HG2 LYS 20 -13.279 -0.701 -0.701 209 2HG LYS 20 HG1 LYS 20 -15.038 -0.753 -0.753 210 1HD LYS 20 HD2 LYS 20 -13.599 -2.279 -2.279 211 2HD LYS 20 HD1 LYS 20 -13.496 -0.522 -0.522 212 1HE LYS 20 HE2 LYS 20 -15.450 -1.473 -1.473 213 2HE LYS 20 HE1 LYS 20 -15.917 -0.324 -0.324 214 1HZ LYS 20 HZ1 LYS 20 -15.887 -3.274 -3.274 215 2HZ LYS 20 HZ3 LYS 20 -17.274 -2.347 -2.347 216 3HZ LYS 20 HZ2 LYS 20 -16.417 -2.141 -2.141 217 H ARG 21 HN ARG 21 -13.685 -5.204 -5.204 218 HA ARG 21 HA ARG 21 -12.355 -7.102 -7.102 219 1HB ARG 21 HB2 ARG 21 -13.343 -7.501 -7.501 220 2HB ARG 21 HB1 ARG 21 -14.935 -7.439 -7.439 221 1HG ARG 21 HG2 ARG 21 -14.461 -9.351 -9.351 222 2HG ARG 21 HG1 ARG 21 -12.749 -9.310 -9.310 223 1HD ARG 21 HD2 ARG 21 -13.223 -10.703 -10.703 224 2HD ARG 21 HD1 ARG 21 -14.115 -9.372 -9.372 225 HE ARG 21 HE ARG 21 -16.163 -10.256 -10.256 226 1HH1 ARG 21 HH11 ARG 21 -13.625 -12.020 -12.020 227 2HH1 ARG 21 HH12 ARG 21 -14.345 -13.576 -13.576 228 1HH2 ARG 21 HH21 ARG 21 -16.980 -12.354 -12.354 229 2HH2 ARG 21 HH22 ARG 21 -16.245 -13.764 -13.764 230 H GLY 22 HN GLY 22 -12.784 -7.222 -7.222 231 1HA GLY 22 HA2 GLY 22 -14.385 -7.941 -7.941 232 2HA GLY 22 HA1 GLY 22 -15.640 -7.052 -7.052 233 H ASP 23 HN ASP 23 -13.080 -5.030 -5.030 234 HA ASP 23 HA ASP 23 -13.930 -3.476 -3.476 235 1HB ASP 23 HB2 ASP 23 -13.130 -2.863 -2.863 236 2HB ASP 23 HB1 ASP 23 -11.847 -2.265 -2.265 237 H ILE 24 HN ILE 24 -12.902 -4.145 -4.145 238 HA ILE 24 HA ILE 24 -10.166 -5.172 -5.172 239 HB ILE 24 HB ILE 24 -11.709 -4.589 -4.589 240 1HG1 ILE 24 HG12 ILE 24 -12.050 -6.841 -6.841 241 2HG1 ILE 24 HG11 ILE 24 -13.304 -5.829 -5.829 242 1HG2 ILE 24 HG23 ILE 24 -9.184 -5.443 -5.443 243 2HG2 ILE 24 HG22 ILE 24 -10.010 -6.991 -6.991 244 3HG2 ILE 24 HG21 ILE 24 -10.162 -5.994 -5.994 245 1HD1 ILE 24 HD11 ILE 24 -12.167 -7.014 -7.014 246 2HD1 ILE 24 HD13 ILE 24 -12.095 -8.299 -8.299 247 3HD1 ILE 24 HD12 ILE 24 -13.643 -7.557 -7.557 248 H LEU 25 HN LEU 25 -8.350 -4.070 -4.070 249 HA LEU 25 HA LEU 25 -8.578 -1.160 -1.160 250 1HB LEU 25 HB2 LEU 25 -5.985 -2.655 -2.655 251 2HB LEU 25 HB1 LEU 25 -6.341 -0.969 -0.969 252 HG LEU 25 HG LEU 25 -6.374 -1.883 -1.883 253 1HD1 LEU 25 HD11 LEU 25 -8.825 -1.112 -1.112 254 2HD1 LEU 25 HD13 LEU 25 -9.187 -2.685 -2.685 255 3HD1 LEU 25 HD12 LEU 25 -8.467 -1.434 -1.434 256 1HD2 LEU 25 HD22 LEU 25 -6.415 -4.300 -4.300 257 2HD2 LEU 25 HD21 LEU 25 -6.564 -4.098 -4.098 258 3HD2 LEU 25 HD23 LEU 25 -8.012 -4.296 -4.296 259 H LYS 26 HN LYS 26 -6.999 -0.099 -0.099 260 HA LYS 26 HA LYS 26 -6.787 -1.780 -1.780 261 1HB LYS 26 HB2 LYS 26 -7.891 0.710 0.710 262 2HB LYS 26 HB1 LYS 26 -6.245 1.133 1.133 263 1HG LYS 26 HG2 LYS 26 -6.482 0.262 0.262 264 2HG LYS 26 HG1 LYS 26 -7.544 -1.037 -1.037 265 1HD LYS 26 HD2 LYS 26 -8.447 1.846 1.846 266 2HD LYS 26 HD1 LYS 26 -8.614 0.801 0.801 267 1HE LYS 26 HE2 LYS 26 -9.986 -0.762 -0.762 268 2HE LYS 26 HE1 LYS 26 -9.698 0.115 0.115 269 1HZ LYS 26 HZ3 LYS 26 -10.972 1.357 1.357 270 2HZ LYS 26 HZ2 LYS 26 -11.863 0.591 0.591 271 3HZ LYS 26 HZ1 LYS 26 -10.916 1.957 1.957 272 H VAL 27 HN VAL 27 -4.758 -2.782 -2.782 273 HA VAL 27 HA VAL 27 -2.537 -1.753 -1.753 274 HB VAL 27 HB VAL 27 -2.257 -3.474 -3.474 275 1HG1 VAL 27 HG12 VAL 27 -0.239 -2.518 -2.518 276 2HG1 VAL 27 HG11 VAL 27 -0.733 -3.536 -3.536 277 3HG1 VAL 27 HG13 VAL 27 -0.277 -4.273 -4.273 278 1HG2 VAL 27 HG21 VAL 27 -3.558 -4.035 -4.035 279 2HG2 VAL 27 HG23 VAL 27 -3.741 -4.864 -4.864 280 3HG2 VAL 27 HG22 VAL 27 -2.364 -5.232 -5.232 281 H LEU 28 HN LEU 28 -1.570 0.083 0.083 282 HA LEU 28 HA LEU 28 -1.413 1.450 1.450 283 1HB LEU 28 HB2 LEU 28 -0.919 2.096 2.096 284 2HB LEU 28 HB1 LEU 28 0.092 2.947 2.947 285 HG LEU 28 HG LEU 28 -1.827 3.908 3.908 286 1HD1 LEU 28 HD12 LEU 28 -3.294 1.877 1.877 287 2HD1 LEU 28 HD11 LEU 28 -3.567 2.251 2.251 288 3HD1 LEU 28 HD13 LEU 28 -4.130 3.362 3.362 289 1HD2 LEU 28 HD23 LEU 28 -2.009 3.962 3.962 290 2HD2 LEU 28 HD22 LEU 28 -1.182 5.114 5.114 291 3HD2 LEU 28 HD21 LEU 28 -2.942 5.045 5.045 292 H ASN 29 HN ASN 29 0.626 -0.203 -0.203 293 HA ASN 29 HA ASN 29 2.736 -0.457 -0.457 294 1HB ASN 29 HB2 ASN 29 3.202 1.557 1.557 295 2HB ASN 29 HB1 ASN 29 3.408 0.409 0.409 296 1HD2 ASN 29 HD22 ASN 29 6.614 1.092 1.092 297 2HD2 ASN 29 HD21 ASN 29 5.373 2.183 2.183 298 H GLU 30 HN GLU 30 3.239 -2.571 -2.571 299 HA GLU 30 HA GLU 30 2.783 -4.282 -4.282 300 1HB GLU 30 HB2 GLU 30 3.027 -6.177 -6.177 301 2HB GLU 30 HB1 GLU 30 1.688 -5.092 -5.092 302 1HG GLU 30 HG2 GLU 30 2.898 -4.026 -4.026 303 2HG GLU 30 HG1 GLU 30 4.428 -4.683 -4.683 304 H GLU 31 HN GLU 31 4.849 -2.778 -2.778 305 HA GLU 31 HA GLU 31 7.193 -4.589 -4.589 306 1HB GLU 31 HB2 GLU 31 7.272 -1.594 -1.594 307 2HB GLU 31 HB1 GLU 31 8.648 -2.692 -2.692 308 1HG GLU 31 HG2 GLU 31 7.278 -3.967 -3.967 309 2HG GLU 31 HG1 GLU 31 6.315 -2.494 -2.494 310 H CYS 32 HN CYS 32 9.018 -3.135 -3.135 311 HA CYS 32 HA CYS 32 9.671 -2.387 -2.387 312 1HB CYS 32 HB2 CYS 32 6.743 -2.030 -2.030 313 2HB CYS 32 HB1 CYS 32 8.133 -1.250 -1.250 314 HG CYS 32 HG CYS 32 6.714 0.121 0.121 315 H ASP 33 HN ASP 33 8.592 -2.922 -2.922 316 HA ASP 33 HA ASP 33 9.398 -5.342 -5.342 317 1HB ASP 33 HB2 ASP 33 8.119 -3.453 -3.453 318 2HB ASP 33 HB1 ASP 33 6.753 -4.522 -4.522 319 H GLN 34 HN GLN 34 8.574 -7.391 -7.391 320 HA GLN 34 HA GLN 34 6.683 -8.226 -8.226 321 1HB GLN 34 HB2 GLN 34 7.350 -10.531 -10.531 322 2HB GLN 34 HB1 GLN 34 8.738 -9.520 -9.520 323 1HG GLN 34 HG2 GLN 34 8.306 -9.133 -9.133 324 2HG GLN 34 HG1 GLN 34 8.120 -10.861 -10.861 325 1HE2 GLN 34 HE22 GLN 34 11.571 -11.398 -11.398 326 2HE2 GLN 34 HE21 GLN 34 10.029 -12.077 -12.077 327 H ASN 35 HN ASN 35 6.075 -6.872 -6.872 328 HA ASN 35 HA ASN 35 3.947 -8.783 -8.783 329 1HB ASN 35 HB2 ASN 35 5.689 -7.102 -7.102 330 2HB ASN 35 HB1 ASN 35 4.132 -7.732 -7.732 331 1HD2 ASN 35 HD22 ASN 35 7.031 -10.177 -10.177 332 2HD2 ASN 35 HD21 ASN 35 6.948 -8.498 -8.498 333 H TRP 36 HN TRP 36 4.637 -5.631 -5.631 334 HA TRP 36 HA TRP 36 1.761 -4.946 -4.946 335 1HB TRP 36 HB2 TRP 36 3.852 -2.878 -2.878 336 2HB TRP 36 HB1 TRP 36 2.098 -2.698 -2.698 337 HD1 TRP 36 HD1 TRP 36 4.648 -5.211 -5.211 338 HE1 TRP 36 HE1 TRP 36 4.090 -5.421 -5.421 339 HE3 TRP 36 HE3 TRP 36 0.559 -2.052 -2.052 340 HZ2 TRP 36 HZ2 TRP 36 2.266 -4.404 -4.404 341 HZ3 TRP 36 HZ3 TRP 36 -0.496 -1.692 -1.692 342 HH2 TRP 36 HH2 TRP 36 0.336 -2.869 -2.869 343 H TYR 37 HN TYR 37 1.041 -3.940 -3.940 344 HA TYR 37 HA TYR 37 3.042 -3.260 -3.260 345 1HB TYR 37 HB2 TYR 37 0.035 -3.628 -3.628 346 2HB TYR 37 HB1 TYR 37 1.220 -3.523 -3.523 347 HD1 TYR 37 HD1 TYR 37 3.329 -5.377 -5.377 348 HD2 TYR 37 HD2 TYR 37 -0.934 -5.683 -5.683 349 HE1 TYR 37 HE1 TYR 37 3.496 -7.852 -7.852 350 HE2 TYR 37 HE2 TYR 37 -0.792 -8.143 -8.143 351 HH TYR 37 HH TYR 37 1.232 -9.821 -9.821 352 H LYS 38 HN LYS 38 1.305 -1.634 -1.634 353 HA LYS 38 HA LYS 38 0.638 0.705 0.705 354 1HB LYS 38 HB2 LYS 38 2.685 1.053 1.053 355 2HB LYS 38 HB1 LYS 38 1.633 0.787 0.787 356 1HG LYS 38 HG2 LYS 38 0.136 2.613 2.613 357 2HG LYS 38 HG1 LYS 38 1.632 3.054 3.054 358 1HD LYS 38 HD2 LYS 38 2.056 2.619 2.619 359 2HD LYS 38 HD1 LYS 38 0.851 3.870 3.870 360 1HE LYS 38 HE2 LYS 38 2.475 4.930 4.930 361 2HE LYS 38 HE1 LYS 38 3.686 3.776 3.776 362 1HZ LYS 38 HZ2 LYS 38 2.984 4.646 4.646 363 2HZ LYS 38 HZ1 LYS 38 2.422 5.995 5.995 364 3HZ LYS 38 HZ3 LYS 38 4.059 5.558 5.558 365 H ALA 39 HN ALA 39 -1.408 1.759 1.759 366 HA ALA 39 HA ALA 39 -2.789 0.855 0.855 367 1HB ALA 39 HB2 ALA 39 -3.648 -0.497 -0.497 368 2HB ALA 39 HB1 ALA 39 -4.526 -0.572 -0.572 369 3HB ALA 39 HB3 ALA 39 -2.920 -1.296 -1.296 370 H GLU 40 HN GLU 40 -5.292 1.113 1.113 371 HA GLU 40 HA GLU 40 -5.794 3.366 3.366 372 1HB GLU 40 HB2 GLU 40 -5.446 5.015 5.015 373 2HB GLU 40 HB1 GLU 40 -4.586 3.819 3.819 374 1HG GLU 40 HG2 GLU 40 -6.637 3.378 3.378 375 2HG GLU 40 HG1 GLU 40 -7.542 4.506 4.506 376 H LEU 41 HN LEU 41 -7.783 3.675 3.675 377 HA LEU 41 HA LEU 41 -9.886 2.049 2.049 378 1HB LEU 41 HB2 LEU 41 -9.491 2.990 2.990 379 2HB LEU 41 HB1 LEU 41 -11.154 2.849 2.849 380 HG LEU 41 HG LEU 41 -9.198 0.663 0.663 381 1HD1 LEU 41 HD13 LEU 41 -10.527 1.450 1.450 382 2HD1 LEU 41 HD12 LEU 41 -10.463 -0.268 -0.268 383 3HD1 LEU 41 HD11 LEU 41 -8.970 0.661 0.661 384 1HD2 LEU 41 HD23 LEU 41 -11.423 0.797 0.797 385 2HD2 LEU 41 HD22 LEU 41 -11.245 -0.644 -0.644 386 3HD2 LEU 41 HD21 LEU 41 -12.190 0.728 0.728 387 H ASN 42 HN ASN 42 -10.537 3.172 3.172 388 HA ASN 42 HA ASN 42 -11.523 4.934 4.934 389 1HB ASN 42 HB2 ASN 42 -13.061 4.326 4.326 390 2HB ASN 42 HB1 ASN 42 -13.566 5.734 5.734 391 1HD2 ASN 42 HD22 ASN 42 -15.125 3.759 3.759 392 2HD2 ASN 42 HD21 ASN 42 -14.960 5.277 5.277 393 H GLY 43 HN GLY 43 -9.404 6.021 6.021 394 1HA GLY 43 HA2 GLY 43 -9.327 8.679 8.679 395 2HA GLY 43 HA1 GLY 43 -10.541 8.625 8.625 396 H LYS 44 HN LYS 44 -9.404 6.579 6.579 397 HA LYS 44 HA LYS 44 -7.231 8.039 8.039 398 1HB LYS 44 HB2 LYS 44 -8.973 5.754 5.754 399 2HB LYS 44 HB1 LYS 44 -7.371 5.924 5.924 400 1HG LYS 44 HG2 LYS 44 -7.833 8.023 8.023 401 2HG LYS 44 HG1 LYS 44 -9.219 8.279 8.279 402 1HD LYS 44 HD2 LYS 44 -10.021 7.754 7.754 403 2HD LYS 44 HD1 LYS 44 -10.413 6.421 6.421 404 1HE LYS 44 HE2 LYS 44 -9.490 5.276 5.276 405 2HE LYS 44 HE1 LYS 44 -8.080 5.491 5.491 406 1HZ LYS 44 HZ2 LYS 44 -7.834 7.692 7.692 407 2HZ LYS 44 HZ1 LYS 44 -8.799 6.913 6.913 408 3HZ LYS 44 HZ3 LYS 44 -7.311 6.237 6.237 409 H ASP 45 HN ASP 45 -5.363 6.698 6.698 410 HA ASP 45 HA ASP 45 -4.738 4.434 4.434 411 1HB ASP 45 HB2 ASP 45 -3.575 5.332 5.332 412 2HB ASP 45 HB1 ASP 45 -4.614 6.700 6.700 413 H GLY 46 HN GLY 46 -2.142 4.194 4.194 414 1HA GLY 46 HA2 GLY 46 -0.170 4.806 4.806 415 2HA GLY 46 HA1 GLY 46 -1.250 4.751 4.751 416 H PHE 47 HN PHE 47 0.634 3.248 3.248 417 HA PHE 47 HA PHE 47 0.892 0.701 0.701 418 1HB PHE 47 HB2 PHE 47 1.785 1.917 1.917 419 2HB PHE 47 HB1 PHE 47 1.823 0.159 0.159 420 HD1 PHE 47 HD2 PHE 47 2.682 3.134 3.134 421 HD2 PHE 47 HD1 PHE 47 3.788 -0.791 -0.791 422 HE1 PHE 47 HE2 PHE 47 4.771 3.266 3.266 423 HE2 PHE 47 HE1 PHE 47 5.877 -0.660 -0.660 424 HZ PHE 47 HZ PHE 47 6.368 1.368 1.368 425 H ILE 48 HN ILE 48 0.108 -1.372 -1.372 426 HA ILE 48 HA ILE 48 -2.060 -1.405 -1.405 427 HB ILE 48 HB ILE 48 -3.305 -2.972 -2.972 428 1HG1 ILE 48 HG12 ILE 48 -2.085 -1.606 -1.606 429 2HG1 ILE 48 HG11 ILE 48 -0.989 -2.722 -2.722 430 1HG2 ILE 48 HG21 ILE 48 -2.946 -0.018 -0.018 431 2HG2 ILE 48 HG23 ILE 48 -4.133 -0.970 -0.970 432 3HG2 ILE 48 HG22 ILE 48 -4.250 -0.835 -0.835 433 1HD1 ILE 48 HD11 ILE 48 -3.794 -3.432 -3.432 434 2HD1 ILE 48 HD13 ILE 48 -2.328 -3.819 -3.819 435 3HD1 ILE 48 HD12 ILE 48 -2.602 -4.533 -4.533 436 HA PRO 49 HA PRO 49 0.537 -4.909 -4.909 437 1HB PRO 49 HB2 PRO 49 -1.115 -6.024 -6.024 438 2HB PRO 49 HB1 PRO 49 0.058 -4.733 -4.733 439 1HG PRO 49 HG2 PRO 49 -2.927 -4.546 -4.546 440 2HG PRO 49 HG1 PRO 49 -1.847 -3.538 -3.538 441 1HD PRO 49 HD2 PRO 49 -2.854 -2.738 -2.738 442 2HD PRO 49 HD1 PRO 49 -1.398 -2.093 -2.093 443 H LYS 50 HN LYS 50 0.502 -6.302 -6.302 444 HA LYS 50 HA LYS 50 -1.589 -7.387 -7.387 445 1HB LYS 50 HB2 LYS 50 0.658 -7.520 -7.520 446 2HB LYS 50 HB1 LYS 50 1.170 -8.449 -8.449 447 1HG LYS 50 HG2 LYS 50 -1.054 -9.700 -9.700 448 2HG LYS 50 HG1 LYS 50 0.410 -9.523 -9.523 449 1HD LYS 50 HD2 LYS 50 1.588 -10.409 -10.409 450 2HD LYS 50 HD1 LYS 50 -0.015 -11.103 -11.103 451 1HE LYS 50 HE2 LYS 50 0.951 -12.821 -12.821 452 2HE LYS 50 HE1 LYS 50 0.221 -11.878 -11.878 453 1HZ LYS 50 HZ3 LYS 50 2.487 -10.641 -10.641 454 2HZ LYS 50 HZ2 LYS 50 3.041 -12.069 -12.069 455 3HZ LYS 50 HZ1 LYS 50 2.355 -12.120 -12.120 456 H ASN 51 HN ASN 51 -0.586 -8.369 -8.369 457 HA ASN 51 HA ASN 51 -1.483 -10.986 -10.986 458 1HB ASN 51 HB2 ASN 51 -0.919 -8.937 -8.937 459 2HB ASN 51 HB1 ASN 51 -1.847 -10.291 -10.291 460 1HD2 ASN 51 HD22 ASN 51 2.100 -10.710 -10.710 461 2HD2 ASN 51 HD21 ASN 51 1.304 -9.211 -9.211 462 H TYR 52 HN TYR 52 -3.156 -8.006 -8.006 463 HA TYR 52 HA TYR 52 -5.746 -9.303 -9.303 464 1HB TYR 52 HB2 TYR 52 -4.725 -6.469 -6.469 465 2HB TYR 52 HB1 TYR 52 -6.448 -6.791 -6.791 466 HD1 TYR 52 HD2 TYR 52 -3.399 -8.020 -8.020 467 HD2 TYR 52 HD1 TYR 52 -7.480 -6.783 -6.783 468 HE1 TYR 52 HE2 TYR 52 -3.406 -8.370 -8.370 469 HE2 TYR 52 HE1 TYR 52 -7.475 -7.107 -7.107 470 HH TYR 52 HH TYR 52 -5.171 -8.876 -8.876 471 H ILE 53 HN ILE 53 -4.255 -9.540 -9.540 472 HA ILE 53 HA ILE 53 -6.374 -8.590 -8.590 473 HB ILE 53 HB ILE 53 -3.784 -8.179 -8.179 474 1HG1 ILE 53 HG12 ILE 53 -3.347 -7.368 -7.368 475 2HG1 ILE 53 HG11 ILE 53 -3.092 -6.184 -6.184 476 1HG2 ILE 53 HG22 ILE 53 -5.994 -7.559 -7.559 477 2HG2 ILE 53 HG21 ILE 53 -6.073 -6.266 -6.266 478 3HG2 ILE 53 HG23 ILE 53 -4.783 -6.283 -6.283 479 1HD1 ILE 53 HD12 ILE 53 -5.806 -6.068 -6.068 480 2HD1 ILE 53 HD11 ILE 53 -4.753 -5.983 -5.983 481 3HD1 ILE 53 HD13 ILE 53 -4.556 -4.831 -4.831 482 H GLU 54 HN GLU 54 -6.190 -9.476 -9.476 483 HA GLU 54 HA GLU 54 -4.471 -11.738 -11.738 484 1HB GLU 54 HB2 GLU 54 -7.293 -11.971 -11.971 485 2HB GLU 54 HB1 GLU 54 -6.875 -12.530 -12.530 486 1HG GLU 54 HG2 GLU 54 -5.149 -13.426 -13.426 487 2HG GLU 54 HG1 GLU 54 -6.747 -14.159 -14.159 488 H MET 55 HN MET 55 -4.286 -12.235 -12.235 489 HA MET 55 HA MET 55 -4.405 -9.712 -9.712 490 1HB MET 55 HB2 MET 55 -2.462 -11.501 -11.501 491 2HB MET 55 HB1 MET 55 -3.336 -12.220 -12.220 492 1HG MET 55 HG2 MET 55 -3.279 -10.015 -10.015 493 2HG MET 55 HG1 MET 55 -2.309 -9.371 -9.371 494 1HE MET 55 HE3 MET 55 -0.789 -8.561 -8.561 495 2HE MET 55 HE2 MET 55 0.326 -9.199 -9.199 496 3HE MET 55 HE1 MET 55 0.654 -9.452 -9.452 497 H LYS 56 HN LYS 56 -6.308 -9.269 -9.269 498 HA LYS 56 HA LYS 56 -7.657 -11.419 -11.419 499 1HB LYS 56 HB2 LYS 56 -8.497 -8.848 -8.848 500 2HB LYS 56 HB1 LYS 56 -9.319 -9.421 -9.421 501 1HG LYS 56 HG2 LYS 56 -9.841 -11.535 -11.535 502 2HG LYS 56 HG1 LYS 56 -8.884 -11.076 -11.076 503 1HD LYS 56 HD2 LYS 56 -11.316 -10.741 -10.741 504 2HD LYS 56 HD1 LYS 56 -10.431 -9.217 -9.217 505 1HE LYS 56 HE2 LYS 56 -12.513 -8.998 -8.998 506 2HE LYS 56 HE1 LYS 56 -11.070 -8.718 -8.718 507 1HZ LYS 56 HZ1 LYS 56 -12.210 -11.425 -11.425 508 2HZ LYS 56 HZ3 LYS 56 -12.922 -10.291 -10.291 509 3HZ LYS 56 HZ2 LYS 56 -11.292 -10.726 -10.726 510 HA PRO 57 HA PRO 57 -6.291 -9.945 -9.945 511 1HB PRO 57 HB2 PRO 57 -8.154 -11.025 -11.025 512 2HB PRO 57 HB1 PRO 57 -6.821 -11.936 -11.936 513 1HG PRO 57 HG2 PRO 57 -9.685 -11.891 -11.891 514 2HG PRO 57 HG1 PRO 57 -8.498 -13.166 -13.166 515 1HD PRO 57 HD2 PRO 57 -9.409 -11.436 -11.436 516 2HD PRO 57 HD1 PRO 57 -7.962 -12.465 -12.465 517 H HIS 58 HN HIS 58 -7.639 -9.197 -9.197 518 HA HIS 58 HA HIS 58 -9.651 -7.161 -7.161 519 1HB HIS 58 HB2 HIS 58 -6.920 -6.606 -6.606 520 2HB HIS 58 HB1 HIS 58 -7.986 -5.993 -5.993 521 HD1 HIS 58 HD1 HIS 58 -7.996 -3.524 -3.524 522 HD2 HIS 58 HD2 HIS 58 -8.824 -5.879 -5.879 523 HE1 HIS 58 HE1 HIS 58 -8.686 -1.932 -1.932 524 HA PRO 59 HA PRO 59 -11.518 -8.249 -8.249 525 1HB PRO 59 HB2 PRO 59 -12.290 -5.864 -5.864 526 2HB PRO 59 HB1 PRO 59 -13.098 -6.593 -6.593 527 1HG PRO 59 HG2 PRO 59 -11.259 -4.243 -4.243 528 2HG PRO 59 HG1 PRO 59 -12.518 -4.639 -4.639 529 1HD PRO 59 HD2 PRO 59 -9.724 -5.015 -5.015 530 2HD PRO 59 HD1 PRO 59 -11.006 -5.664 -5.664 531 H GLU 60 HN GLU 60 -10.212 -9.105 -9.105 532 HA GLU 60 HA GLU 60 -8.526 -7.198 -7.198 533 1HB GLU 60 HB2 GLU 60 -7.435 -9.656 -9.656 534 2HB GLU 60 HB1 GLU 60 -6.805 -8.563 -8.563 535 1HG GLU 60 HG2 GLU 60 -8.059 -9.722 -9.722 536 2HG GLU 60 HG1 GLU 60 -8.838 -10.753 -10.753 537 H PHE 61 HN PHE 61 -9.620 -10.550 -10.550 538 HA PHE 61 HA PHE 61 -10.087 -10.049 -10.049 539 1HB PHE 61 HB2 PHE 61 -9.935 -12.303 -12.303 540 2HB PHE 61 HB1 PHE 61 -11.682 -12.195 -12.195 541 HD1 PHE 61 HD1 PHE 61 -8.579 -11.688 -11.688 542 HD2 PHE 61 HD2 PHE 61 -12.562 -13.281 -13.281 543 HE1 PHE 61 HE1 PHE 61 -8.351 -12.557 -12.557 544 HE2 PHE 61 HE2 PHE 61 -12.335 -14.150 -14.150 545 HZ PHE 61 HZ PHE 61 -10.229 -13.788 -13.788 546 H ILE 62 HN ILE 62 -12.356 -10.405 -10.405 547 HA ILE 62 HA ILE 62 -14.179 -8.441 -8.441 548 HB ILE 62 HB ILE 62 -15.502 -8.777 -8.777 549 1HG1 ILE 62 HG12 ILE 62 -13.193 -10.422 -10.422 550 2HG1 ILE 62 HG11 ILE 62 -14.537 -11.209 -11.209 551 1HG2 ILE 62 HG21 ILE 62 -13.413 -7.226 -7.226 552 2HG2 ILE 62 HG23 ILE 62 -12.625 -8.365 -8.365 553 3HG2 ILE 62 HG22 ILE 62 -14.055 -7.480 -7.480 554 1HD1 ILE 62 HD13 ILE 62 -15.093 -9.252 -9.252 555 2HD1 ILE 62 HD12 ILE 62 -14.643 -10.913 -10.913 556 3HD1 ILE 62 HD11 ILE 62 -16.086 -10.592 -10.592 557 H VAL 63 HN VAL 63 -16.309 -8.920 -8.920 558 HA VAL 63 HA VAL 63 -17.157 -11.765 -11.765 559 HB VAL 63 HB VAL 63 -17.101 -10.087 -10.087 560 1HG1 VAL 63 HG13 VAL 63 -18.065 -12.825 -12.825 561 2HG1 VAL 63 HG12 VAL 63 -17.409 -12.573 -12.573 562 3HG1 VAL 63 HG11 VAL 63 -18.800 -11.635 -11.635 563 1HG2 VAL 63 HG22 VAL 63 -15.302 -12.371 -12.371 564 2HG2 VAL 63 HG21 VAL 63 -14.815 -10.687 -10.687 565 3HG2 VAL 63 HG23 VAL 63 -15.293 -11.632 -11.632 566 H THR 64 HN THR 64 -18.886 -11.215 -11.215 567 HA THR 64 HA THR 64 -20.966 -10.315 -10.315 568 HB THR 64 HB THR 64 -22.663 -10.383 -10.383 569 HG1 THR 64 HG1 THR 64 -22.139 -9.469 -9.469 570 1HG2 THR 64 HG22 THR 64 -21.444 -12.537 -12.537 571 2HG2 THR 64 HG21 THR 64 -20.586 -12.387 -12.387 572 3HG2 THR 64 HG23 THR 64 -22.340 -12.574 -12.574 573 H ASP 65 HN ASP 65 -20.081 -8.302 -8.302 574 HA ASP 65 HA ASP 65 -19.921 -5.991 -5.991 575 1HB ASP 65 HB2 ASP 65 -18.949 -6.663 -6.663 576 2HB ASP 65 HB1 ASP 65 -19.926 -5.205 -5.205 577 1H SER 1 HT2 SER 1 -15.474 -12.777 -12.777 578 2H SER 1 HT1 SER 1 -16.702 -11.647 -11.647 579 3H SER 1 HT3 SER 1 -16.045 -11.764 -11.764 580 HA SER 1 HA SER 1 -14.102 -10.708 -10.708 581 1HB SER 1 HB2 SER 1 -16.410 -9.418 -9.418 582 2HB SER 1 HB1 SER 1 -15.684 -9.361 -9.361 583 HG SER 1 HG SER 1 -13.934 -8.306 -8.306 584 HA PRO 2 HA PRO 2 -12.831 -12.890 -12.890 585 1HB PRO 2 HB2 PRO 2 -10.340 -13.605 -13.605 586 2HB PRO 2 HB1 PRO 2 -11.797 -14.584 -14.584 587 1HG PRO 2 HG2 PRO 2 -10.330 -12.875 -12.875 588 2HG PRO 2 HG1 PRO 2 -11.334 -14.308 -14.308 589 1HD PRO 2 HD2 PRO 2 -12.141 -11.628 -11.628 590 2HD PRO 2 HD1 PRO 2 -13.218 -13.039 -13.039 591 H LEU 3 HN LEU 3 -11.277 -12.192 -12.192 592 HA LEU 3 HA LEU 3 -10.642 -9.421 -9.421 593 1HB LEU 3 HB2 LEU 3 -9.668 -9.744 -9.744 594 2HB LEU 3 HB1 LEU 3 -10.905 -10.989 -10.989 595 HG LEU 3 HG LEU 3 -7.938 -11.408 -11.408 596 1HD1 LEU 3 HD12 LEU 3 -8.920 -11.029 -11.029 597 2HD1 LEU 3 HD11 LEU 3 -9.476 -12.690 -12.690 598 3HD1 LEU 3 HD13 LEU 3 -7.756 -12.320 -12.320 599 1HD2 LEU 3 HD23 LEU 3 -10.339 -13.249 -13.249 600 2HD2 LEU 3 HD22 LEU 3 -9.140 -12.980 -12.980 601 3HD2 LEU 3 HD21 LEU 3 -8.697 -13.860 -13.860 602 H LEU 4 HN LEU 4 -8.951 -8.308 -8.308 603 HA LEU 4 HA LEU 4 -6.434 -9.777 -9.777 604 1HB LEU 4 HB2 LEU 4 -7.778 -7.785 -7.785 605 2HB LEU 4 HB1 LEU 4 -6.290 -8.671 -8.671 606 HG LEU 4 HG LEU 4 -8.828 -10.168 -10.168 607 1HD1 LEU 4 HD13 LEU 4 -7.991 -8.905 -8.905 608 2HD1 LEU 4 HD12 LEU 4 -9.059 -10.310 -10.310 609 3HD1 LEU 4 HD11 LEU 4 -9.552 -8.792 -8.792 610 1HD2 LEU 4 HD22 LEU 4 -6.143 -10.695 -10.695 611 2HD2 LEU 4 HD21 LEU 4 -7.076 -11.683 -11.683 612 3HD2 LEU 4 HD23 LEU 4 -7.512 -11.641 -11.641 613 HA PRO 5 HA PRO 5 -5.773 -5.652 -5.652 614 1HB PRO 5 HB2 PRO 5 -4.638 -6.572 -6.572 615 2HB PRO 5 HB1 PRO 5 -6.382 -6.340 -6.340 616 1HG PRO 5 HG2 PRO 5 -4.840 -8.887 -8.887 617 2HG PRO 5 HG1 PRO 5 -6.560 -8.605 -8.605 618 1HD PRO 5 HD2 PRO 5 -5.410 -9.691 -9.691 619 2HD PRO 5 HD1 PRO 5 -7.114 -9.260 -9.260 620 H LYS 6 HN LYS 6 -3.830 -4.511 -4.511 621 HA LYS 6 HA LYS 6 -1.543 -4.027 -4.027 622 1HB LYS 6 HB2 LYS 6 -1.587 -6.507 -6.507 623 2HB LYS 6 HB1 LYS 6 -0.316 -6.622 -6.622 624 1HG LYS 6 HG2 LYS 6 0.743 -5.661 -5.661 625 2HG LYS 6 HG1 LYS 6 0.439 -4.300 -4.300 626 1HD LYS 6 HD2 LYS 6 -1.823 -4.860 -4.860 627 2HD LYS 6 HD1 LYS 6 -0.345 -4.443 -4.443 628 1HE LYS 6 HE2 LYS 6 -0.184 -2.509 -2.509 629 2HE LYS 6 HE1 LYS 6 -1.914 -2.799 -2.799 630 1HZ LYS 6 HZ1 LYS 6 -1.904 -2.694 -2.694 631 2HZ LYS 6 HZ3 LYS 6 -0.432 -1.875 -1.875 632 3HZ LYS 6 HZ2 LYS 6 -1.851 -1.247 -1.247 633 H LEU 7 HN LEU 7 0.102 -4.089 -4.089 634 HA LEU 7 HA LEU 7 0.449 -5.996 -5.996 635 1HB LEU 7 HB2 LEU 7 -1.896 -5.256 -5.256 636 2HB LEU 7 HB1 LEU 7 -1.233 -3.653 -3.653 637 HG LEU 7 HG LEU 7 0.302 -4.542 -4.542 638 1HD1 LEU 7 HD13 LEU 7 -0.752 -7.169 -7.169 639 2HD1 LEU 7 HD12 LEU 7 -0.240 -7.037 -7.037 640 3HD1 LEU 7 HD11 LEU 7 0.906 -6.705 -6.705 641 1HD2 LEU 7 HD23 LEU 7 -2.529 -4.469 -4.469 642 2HD2 LEU 7 HD22 LEU 7 -1.345 -4.318 -4.318 643 3HD2 LEU 7 HD21 LEU 7 -2.005 -5.906 -5.906 644 HA PRO 8 HA PRO 8 3.386 -2.414 -2.414 645 1HB PRO 8 HB2 PRO 8 5.544 -3.951 -3.951 646 2HB PRO 8 HB1 PRO 8 4.416 -3.204 -3.204 647 1HG PRO 8 HG2 PRO 8 4.657 -6.061 -6.061 648 2HG PRO 8 HG1 PRO 8 4.046 -5.383 -5.383 649 1HD PRO 8 HD2 PRO 8 2.453 -6.369 -6.369 650 2HD PRO 8 HD1 PRO 8 1.887 -5.346 -5.346 651 HA PRO 9 HA PRO 9 5.405 -3.501 -3.501 652 1HB PRO 9 HB2 PRO 9 7.969 -2.528 -2.528 653 2HB PRO 9 HB1 PRO 9 6.542 -1.499 -1.499 654 1HG PRO 9 HG2 PRO 9 8.201 -1.890 -1.890 655 2HG PRO 9 HG1 PRO 9 7.150 -0.532 -0.532 656 1HD PRO 9 HD2 PRO 9 6.542 -2.635 -2.635 657 2HD PRO 9 HD1 PRO 9 5.423 -1.392 -1.392 658 H LYS 10 HN LYS 10 5.323 -5.821 -5.821 659 HA LYS 10 HA LYS 10 7.872 -7.137 -7.137 660 1HB LYS 10 HB2 LYS 10 6.472 -7.624 -7.624 661 2HB LYS 10 HB1 LYS 10 8.022 -8.271 -8.271 662 1HG LYS 10 HG2 LYS 10 8.795 -5.820 -5.820 663 2HG LYS 10 HG1 LYS 10 7.345 -5.425 -5.425 664 1HD LYS 10 HD2 LYS 10 9.417 -7.453 -7.453 665 2HD LYS 10 HD1 LYS 10 9.393 -5.773 -5.773 666 1HE LYS 10 HE2 LYS 10 6.878 -7.375 -7.375 667 2HE LYS 10 HE1 LYS 10 8.179 -7.670 -7.670 668 1HZ LYS 10 HZ1 LYS 10 7.303 -4.920 -4.920 669 2HZ LYS 10 HZ3 LYS 10 6.448 -5.869 -5.869 670 3HZ LYS 10 HZ2 LYS 10 8.090 -5.519 -5.519 671 H THR 11 HN THR 11 4.835 -8.040 -8.040 672 HA THR 11 HA THR 11 3.347 -9.210 -9.210 673 HB THR 11 HB THR 11 4.146 -11.748 -11.748 674 HG1 THR 11 HG1 THR 11 5.997 -10.827 -10.827 675 1HG2 THR 11 HG22 THR 11 4.528 -9.969 -9.969 676 2HG2 THR 11 HG21 THR 11 5.605 -11.362 -11.362 677 3HG2 THR 11 HG23 THR 11 3.857 -11.598 -11.598 678 H TYR 12 HN TYR 12 1.547 -8.836 -8.836 679 HA TYR 12 HA TYR 12 1.252 -10.714 -10.714 680 1HB TYR 12 HB2 TYR 12 2.373 -8.585 -8.585 681 2HB TYR 12 HB1 TYR 12 0.843 -7.774 -7.774 682 HD1 TYR 12 HD2 TYR 12 2.590 -10.349 -10.349 683 HD2 TYR 12 HD1 TYR 12 -1.147 -8.322 -8.322 684 HE1 TYR 12 HE2 TYR 12 1.734 -11.268 -11.268 685 HE2 TYR 12 HE1 TYR 12 -1.999 -9.247 -9.247 686 HH TYR 12 HH TYR 12 0.053 -10.834 -10.834 687 H LYS 13 HN LYS 13 -0.892 -7.888 -7.888 688 HA LYS 13 HA LYS 13 -2.882 -9.481 -9.481 689 1HB LYS 13 HB2 LYS 13 -3.351 -8.212 -8.212 690 2HB LYS 13 HB1 LYS 13 -4.604 -8.945 -8.945 691 1HG LYS 13 HG2 LYS 13 -2.422 -10.808 -10.808 692 2HG LYS 13 HG1 LYS 13 -2.827 -10.244 -10.244 693 1HD LYS 13 HD2 LYS 13 -4.932 -11.174 -11.174 694 2HD LYS 13 HD1 LYS 13 -5.102 -10.952 -10.952 695 1HE LYS 13 HE2 LYS 13 -3.806 -12.865 -12.865 696 2HE LYS 13 HE1 LYS 13 -3.114 -12.919 -12.919 697 1HZ LYS 13 HZ2 LYS 13 -5.964 -13.421 -13.421 698 2HZ LYS 13 HZ1 LYS 13 -4.814 -14.613 -14.613 699 3HZ LYS 13 HZ3 LYS 13 -5.289 -13.489 -13.489 700 H ARG 14 HN ARG 14 -4.199 -6.659 -6.659 701 HA ARG 14 HA ARG 14 -4.112 -5.205 -5.205 702 1HB ARG 14 HB2 ARG 14 -6.337 -6.210 -6.210 703 2HB ARG 14 HB1 ARG 14 -6.359 -5.054 -5.054 704 1HG ARG 14 HG2 ARG 14 -5.726 -3.806 -3.806 705 2HG ARG 14 HG1 ARG 14 -7.309 -4.576 -4.576 706 1HD ARG 14 HD2 ARG 14 -6.641 -2.985 -2.985 707 2HD ARG 14 HD1 ARG 14 -6.860 -2.060 -2.060 708 HE ARG 14 HE ARG 14 -9.122 -3.196 -3.196 709 1HH1 ARG 14 HH21 ARG 14 -10.089 -4.895 -4.895 710 2HH1 ARG 14 HH22 ARG 14 -10.324 -4.215 -4.215 711 1HH2 ARG 14 HH11 ARG 14 -8.261 -1.486 -1.486 712 2HH2 ARG 14 HH12 ARG 14 -9.287 -2.283 -2.283 713 H GLU 15 HN GLU 15 -4.977 -4.380 -4.380 714 HA GLU 15 HA GLU 15 -4.347 -1.604 -1.604 715 1HB GLU 15 HB2 GLU 15 -5.558 -3.129 -3.129 716 2HB GLU 15 HB1 GLU 15 -4.092 -2.544 -2.544 717 1HG GLU 15 HG2 GLU 15 -5.845 -0.671 -0.671 718 2HG GLU 15 HG1 GLU 15 -6.206 -1.041 -1.041 Start of MODEL 19 1 1H GLY -8 HT3 GLY -8 10.157 -12.594 -12.594 2 2H GLY -8 HT2 GLY -8 9.441 -13.896 -13.896 3 3H GLY -8 HT1 GLY -8 11.107 -13.606 -13.606 4 1HA GLY -8 HA1 GLY -8 10.504 -12.368 -12.368 5 2HA GLY -8 HA2 GLY -8 8.779 -12.509 -12.509 6 H SER -7 HN SER -7 9.406 -10.430 -10.430 7 HA SER -7 HA SER -7 11.182 -8.474 -8.474 8 1HB SER -7 HB2 SER -7 10.238 -8.065 -8.065 9 2HB SER -7 HB1 SER -7 11.739 -7.542 -7.542 10 HG SER -7 HG SER -7 12.347 -9.245 -9.245 11 H ARG -6 HN ARG -6 10.248 -6.648 -6.648 12 HA ARG -6 HA ARG -6 7.324 -6.334 -6.334 13 1HB ARG -6 HB2 ARG -6 8.949 -6.030 -6.030 14 2HB ARG -6 HB1 ARG -6 8.901 -4.364 -4.364 15 1HG ARG -6 HG2 ARG -6 6.625 -4.151 -4.151 16 2HG ARG -6 HG1 ARG -6 6.326 -5.879 -5.879 17 1HD ARG -6 HD2 ARG -6 7.716 -6.161 -6.161 18 2HD ARG -6 HD1 ARG -6 7.454 -4.432 -4.432 19 HE ARG -6 HE ARG -6 4.912 -5.308 -5.308 20 1HH1 ARG -6 HH21 ARG -6 6.534 -4.875 -4.875 21 2HH1 ARG -6 HH22 ARG -6 5.939 -6.241 -6.241 22 1HH2 ARG -6 HH11 ARG -6 4.550 -7.772 -7.772 23 2HH2 ARG -6 HH12 ARG -6 4.816 -7.882 -7.882 24 H ARG -5 HN ARG -5 6.388 -4.762 -4.762 25 HA ARG -5 HA ARG -5 7.831 -2.333 -2.333 26 1HB ARG -5 HB2 ARG -5 8.669 -4.147 -4.147 27 2HB ARG -5 HB1 ARG -5 7.026 -4.212 -4.212 28 1HG ARG -5 HG2 ARG -5 7.361 -1.570 -1.570 29 2HG ARG -5 HG1 ARG -5 9.061 -2.036 -2.036 30 1HD ARG -5 HD2 ARG -5 8.657 -3.424 -3.424 31 2HD ARG -5 HD1 ARG -5 6.913 -3.212 -3.212 32 HE ARG -5 HE ARG -5 7.275 -0.808 -0.808 33 1HH1 ARG -5 HH11 ARG -5 10.347 -1.951 -1.951 34 2HH1 ARG -5 HH12 ARG -5 10.888 -1.532 -1.532 35 1HH2 ARG -5 HH21 ARG -5 7.714 -0.756 -0.756 36 2HH2 ARG -5 HH22 ARG -5 9.397 -0.855 -0.855 37 H ALA -4 HN ALA -4 5.154 -4.365 -4.365 38 HA ALA -4 HA ALA -4 3.417 -1.939 -1.939 39 1HB ALA -4 HB3 ALA -4 3.622 -3.091 -3.091 40 2HB ALA -4 HB2 ALA -4 3.005 -4.571 -4.571 41 3HB ALA -4 HB1 ALA -4 1.970 -3.149 -3.149 42 H SER -3 HN SER -3 0.997 -2.605 -2.605 43 HA SER -3 HA SER -3 -0.579 -3.368 -3.368 44 1HB SER -3 HB2 SER -3 1.222 -5.761 -5.761 45 2HB SER -3 HB1 SER -3 -0.529 -5.680 -5.680 46 HG SER -3 HG SER -3 0.824 -6.358 -6.358 47 H VAL -2 HN VAL -2 0.182 -1.581 -1.581 48 HA VAL -2 HA VAL -2 1.340 -2.655 -2.655 49 HB VAL -2 HB VAL -2 2.268 -0.066 -0.066 50 1HG1 VAL -2 HG11 VAL -2 2.802 -1.487 -1.487 51 2HG1 VAL -2 HG13 VAL -2 4.110 -0.571 -0.571 52 3HG1 VAL -2 HG12 VAL -2 2.607 0.239 0.239 53 1HG2 VAL -2 HG23 VAL -2 3.503 -2.829 -2.829 54 2HG2 VAL -2 HG22 VAL -2 3.185 -1.853 -1.853 55 3HG2 VAL -2 HG21 VAL -2 4.457 -1.378 -1.378 56 H GLY -1 HN GLY -1 -1.117 -2.460 -2.460 57 1HA GLY -1 HA2 GLY -1 -1.940 0.343 0.343 58 2HA GLY -1 HA1 GLY -1 -3.047 -1.019 -1.019 59 H SER 0 HN SER 0 -3.501 -2.313 -2.313 60 HA SER 0 HA SER 0 -1.887 -2.414 -2.414 61 1HB SER 0 HB2 SER 0 -3.783 -1.238 -1.238 62 2HB SER 0 HB1 SER 0 -2.522 -0.264 -0.264 63 HG SER 0 HG SER 0 -5.149 -0.794 -0.794 64 H MET 1 HN MET 1 -2.892 -3.741 -3.741 65 HA MET 1 HA MET 1 -5.205 -5.328 -5.328 66 1HB MET 1 HB2 MET 1 -2.712 -6.089 -6.089 67 2HB MET 1 HB1 MET 1 -4.185 -6.994 -6.994 68 1HG MET 1 HG2 MET 1 -4.393 -7.789 -7.789 69 2HG MET 1 HG1 MET 1 -3.407 -6.494 -6.494 70 1HE MET 1 HE3 MET 1 -2.270 -7.827 -7.827 71 2HE MET 1 HE2 MET 1 -0.911 -8.891 -8.891 72 3HE MET 1 HE1 MET 1 -2.553 -9.527 -9.527 73 H GLU 2 HN GLU 2 -6.048 -6.594 -6.594 74 HA GLU 2 HA GLU 2 -6.566 -4.372 -4.372 75 1HB GLU 2 HB2 GLU 2 -8.405 -5.690 -5.690 76 2HB GLU 2 HB1 GLU 2 -8.641 -6.400 -6.400 77 1HG GLU 2 HG2 GLU 2 -9.180 -4.327 -4.327 78 2HG GLU 2 HG1 GLU 2 -8.455 -3.415 -3.415 79 H ALA 3 HN ALA 3 -7.469 -5.473 -5.473 80 HA ALA 3 HA ALA 3 -6.385 -8.116 -8.116 81 1HB ALA 3 HB1 ALA 3 -5.158 -5.634 -5.634 82 2HB ALA 3 HB3 ALA 3 -5.229 -7.044 -7.044 83 3HB ALA 3 HB2 ALA 3 -4.409 -7.154 -7.154 84 H ILE 4 HN ILE 4 -8.044 -9.002 -9.002 85 HA ILE 4 HA ILE 4 -10.214 -7.759 -7.759 86 HB ILE 4 HB ILE 4 -10.447 -9.960 -9.960 87 1HG1 ILE 4 HG12 ILE 4 -10.475 -10.793 -10.793 88 2HG1 ILE 4 HG11 ILE 4 -11.255 -9.236 -9.236 89 1HG2 ILE 4 HG23 ILE 4 -7.930 -10.370 -10.370 90 2HG2 ILE 4 HG22 ILE 4 -9.073 -11.694 -11.694 91 3HG2 ILE 4 HG21 ILE 4 -8.590 -11.215 -11.215 92 1HD1 ILE 4 HD11 ILE 4 -11.817 -11.621 -11.621 93 2HD1 ILE 4 HD13 ILE 4 -12.703 -11.293 -11.293 94 3HD1 ILE 4 HD12 ILE 4 -12.747 -10.132 -10.132 95 H ALA 5 HN ALA 5 -10.389 -6.759 -6.759 96 HA ALA 5 HA ALA 5 -8.342 -6.850 -6.850 97 1HB ALA 5 HB3 ALA 5 -11.144 -5.730 -5.730 98 2HB ALA 5 HB2 ALA 5 -10.365 -5.913 -5.913 99 3HB ALA 5 HB1 ALA 5 -9.627 -4.891 -4.891 100 H LYS 6 HN LYS 6 -8.163 -8.506 -8.506 101 HA LYS 6 HA LYS 6 -9.994 -10.739 -10.739 102 1HB LYS 6 HB2 LYS 6 -7.304 -10.364 -10.364 103 2HB LYS 6 HB1 LYS 6 -7.870 -10.551 -10.551 104 1HG LYS 6 HG2 LYS 6 -8.525 -12.713 -12.713 105 2HG LYS 6 HG1 LYS 6 -8.865 -12.465 -12.465 106 1HD LYS 6 HD2 LYS 6 -6.593 -12.634 -12.634 107 2HD LYS 6 HD1 LYS 6 -6.018 -12.272 -12.272 108 1HE LYS 6 HE2 LYS 6 -5.711 -14.551 -14.551 109 2HE LYS 6 HE1 LYS 6 -7.407 -14.527 -14.527 110 1HZ LYS 6 HZ3 LYS 6 -7.937 -14.674 -14.674 111 2HZ LYS 6 HZ2 LYS 6 -6.293 -15.006 -15.006 112 3HZ LYS 6 HZ1 LYS 6 -7.233 -16.062 -16.062 113 H TYR 7 HN TYR 7 -9.142 -8.107 -8.107 114 HA TYR 7 HA TYR 7 -11.594 -8.508 -8.508 115 1HB TYR 7 HB2 TYR 7 -9.008 -8.217 -8.217 116 2HB TYR 7 HB1 TYR 7 -10.559 -8.812 -8.812 117 HD1 TYR 7 HD1 TYR 7 -11.382 -11.078 -11.078 118 HD2 TYR 7 HD2 TYR 7 -7.369 -9.667 -9.667 119 HE1 TYR 7 HE1 TYR 7 -10.628 -13.400 -13.400 120 HE2 TYR 7 HE2 TYR 7 -6.605 -11.972 -11.972 121 HH TYR 7 HH TYR 7 -7.355 -14.292 -14.292 122 H ASP 8 HN ASP 8 -11.286 -6.795 -6.795 123 HA ASP 8 HA ASP 8 -11.118 -4.254 -4.254 124 1HB ASP 8 HB2 ASP 8 -12.061 -3.303 -3.303 125 2HB ASP 8 HB1 ASP 8 -12.902 -4.823 -4.823 126 H PHE 9 HN PHE 9 -9.774 -2.485 -2.485 127 HA PHE 9 HA PHE 9 -7.709 -2.612 -2.612 128 1HB PHE 9 HB2 PHE 9 -7.167 -4.379 -4.379 129 2HB PHE 9 HB1 PHE 9 -6.210 -2.957 -2.957 130 HD1 PHE 9 HD2 PHE 9 -7.149 -4.365 -4.365 131 HD2 PHE 9 HD1 PHE 9 -3.994 -3.507 -3.507 132 HE1 PHE 9 HE2 PHE 9 -5.464 -5.040 -5.040 133 HE2 PHE 9 HE1 PHE 9 -2.312 -4.180 -4.180 134 HZ PHE 9 HZ PHE 9 -3.047 -4.947 -4.947 135 H LYS 10 HN LYS 10 -7.599 -0.357 -0.357 136 HA LYS 10 HA LYS 10 -7.888 1.436 1.436 137 1HB LYS 10 HB2 LYS 10 -7.543 3.245 3.245 138 2HB LYS 10 HB1 LYS 10 -8.670 2.075 2.075 139 1HG LYS 10 HG2 LYS 10 -6.587 0.992 0.992 140 2HG LYS 10 HG1 LYS 10 -5.763 2.501 2.501 141 1HD LYS 10 HD2 LYS 10 -7.325 3.787 3.787 142 2HD LYS 10 HD1 LYS 10 -8.360 2.380 2.380 143 1HE LYS 10 HE2 LYS 10 -6.070 1.372 1.372 144 2HE LYS 10 HE1 LYS 10 -5.776 3.079 3.079 145 1HZ LYS 10 HZ1 LYS 10 -8.276 1.677 1.677 146 2HZ LYS 10 HZ3 LYS 10 -6.946 1.837 1.837 147 3HZ LYS 10 HZ2 LYS 10 -7.763 3.221 3.221 148 H ALA 11 HN ALA 11 -6.164 3.289 3.289 149 HA ALA 11 HA ALA 11 -3.827 2.034 2.034 150 1HB ALA 11 HB3 ALA 11 -4.870 4.782 4.782 151 2HB ALA 11 HB2 ALA 11 -3.106 4.645 4.645 152 3HB ALA 11 HB1 ALA 11 -4.115 3.978 3.978 153 H THR 12 HN THR 12 -1.786 1.790 1.790 154 HA THR 12 HA THR 12 -1.660 2.586 2.586 155 HB THR 12 HB THR 12 0.282 0.832 0.832 156 HG1 THR 12 HG1 THR 12 -1.265 -0.034 -0.034 157 1HG2 THR 12 HG23 THR 12 -2.633 0.063 0.063 158 2HG2 THR 12 HG22 THR 12 -1.378 -0.981 -0.981 159 3HG2 THR 12 HG21 THR 12 -1.820 0.512 0.512 160 H ALA 13 HN ALA 13 -1.048 4.505 4.505 161 HA ALA 13 HA ALA 13 1.405 5.577 5.577 162 1HB ALA 13 HB2 ALA 13 1.655 4.099 4.099 163 2HB ALA 13 HB1 ALA 13 2.818 5.285 5.285 164 3HB ALA 13 HB3 ALA 13 2.561 3.784 3.784 165 H ASP 14 HN ASP 14 2.203 7.326 7.326 166 HA ASP 14 HA ASP 14 -0.005 9.000 9.000 167 1HB ASP 14 HB2 ASP 14 2.353 9.510 9.510 168 2HB ASP 14 HB1 ASP 14 2.833 9.501 9.501 169 H ASP 15 HN ASP 15 1.635 6.582 6.582 170 HA ASP 15 HA ASP 15 0.552 7.617 7.617 171 1HB ASP 15 HB2 ASP 15 3.323 6.845 6.845 172 2HB ASP 15 HB1 ASP 15 2.681 6.157 6.157 173 H GLU 16 HN GLU 16 -0.477 5.676 5.676 174 HA GLU 16 HA GLU 16 -0.316 3.148 3.148 175 1HB GLU 16 HB2 GLU 16 -0.044 3.447 3.447 176 2HB GLU 16 HB1 GLU 16 -1.792 3.360 3.360 177 1HG GLU 16 HG2 GLU 16 -1.717 1.141 1.141 178 2HG GLU 16 HG1 GLU 16 -0.748 1.326 1.326 179 H LEU 17 HN LEU 17 -2.581 1.956 1.956 180 HA LEU 17 HA LEU 17 -4.688 3.916 3.916 181 1HB LEU 17 HB2 LEU 17 -3.806 2.957 2.957 182 2HB LEU 17 HB1 LEU 17 -4.005 1.333 1.333 183 HG LEU 17 HG LEU 17 -6.492 1.815 1.815 184 1HD1 LEU 17 HD11 LEU 17 -5.546 4.310 4.310 185 2HD1 LEU 17 HD13 LEU 17 -7.172 3.693 3.693 186 3HD1 LEU 17 HD12 LEU 17 -6.675 4.153 4.153 187 1HD2 LEU 17 HD23 LEU 17 -4.986 0.883 0.883 188 2HD2 LEU 17 HD22 LEU 17 -6.750 0.850 0.850 189 3HD2 LEU 17 HD21 LEU 17 -5.928 2.169 2.169 190 H SER 18 HN SER 18 -6.561 3.665 3.665 191 HA SER 18 HA SER 18 -6.931 1.449 1.449 192 1HB SER 18 HB2 SER 18 -8.704 2.814 2.814 193 2HB SER 18 HB1 SER 18 -7.369 3.868 3.868 194 HG SER 18 HG SER 18 -8.833 4.910 4.910 195 H PHE 19 HN PHE 19 -8.813 0.110 0.110 196 HA PHE 19 HA PHE 19 -10.744 0.292 0.292 197 1HB PHE 19 HB2 PHE 19 -10.110 -1.794 -1.794 198 2HB PHE 19 HB1 PHE 19 -8.868 -0.554 -0.554 199 HD1 PHE 19 HD1 PHE 19 -9.821 -3.579 -3.579 200 HD2 PHE 19 HD2 PHE 19 -6.656 -0.938 -0.938 201 HE1 PHE 19 HE1 PHE 19 -8.146 -5.130 -5.130 202 HE2 PHE 19 HE2 PHE 19 -4.987 -2.486 -2.486 203 HZ PHE 19 HZ PHE 19 -5.733 -4.583 -4.583 204 H LYS 20 HN LYS 20 -12.195 -1.694 -1.694 205 HA LYS 20 HA LYS 20 -12.234 -2.811 -2.811 206 1HB LYS 20 HB2 LYS 20 -14.561 -2.360 -2.360 207 2HB LYS 20 HB1 LYS 20 -14.656 -2.907 -2.907 208 1HG LYS 20 HG2 LYS 20 -13.262 -0.331 -0.331 209 2HG LYS 20 HG1 LYS 20 -15.020 -0.367 -0.367 210 1HD LYS 20 HD2 LYS 20 -14.514 -1.705 -1.705 211 2HD LYS 20 HD1 LYS 20 -13.066 -0.698 -0.698 212 1HE LYS 20 HE2 LYS 20 -14.650 1.274 1.274 213 2HE LYS 20 HE1 LYS 20 -15.954 0.195 0.195 214 1HZ LYS 20 HZ3 LYS 20 -13.585 0.449 0.449 215 2HZ LYS 20 HZ2 LYS 20 -14.751 1.685 1.685 216 3HZ LYS 20 HZ1 LYS 20 -15.188 0.093 0.093 217 H ARG 21 HN ARG 21 -13.854 -4.828 -4.828 218 HA ARG 21 HA ARG 21 -12.436 -6.859 -6.859 219 1HB ARG 21 HB2 ARG 21 -13.767 -7.046 -7.046 220 2HB ARG 21 HB1 ARG 21 -15.201 -7.142 -7.142 221 1HG ARG 21 HG2 ARG 21 -14.630 -9.215 -9.215 222 2HG ARG 21 HG1 ARG 21 -12.898 -8.911 -8.911 223 1HD ARG 21 HD2 ARG 21 -12.975 -10.166 -10.166 224 2HD ARG 21 HD1 ARG 21 -13.808 -8.805 -8.805 225 HE ARG 21 HE ARG 21 -15.757 -10.121 -10.121 226 1HH1 ARG 21 HH21 ARG 21 -16.733 -10.572 -10.572 227 2HH1 ARG 21 HH22 ARG 21 -16.284 -12.176 -12.176 228 1HH2 ARG 21 HH11 ARG 21 -13.785 -12.462 -12.462 229 2HH2 ARG 21 HH12 ARG 21 -14.615 -13.249 -13.249 230 H GLY 22 HN GLY 22 -12.798 -7.535 -7.535 231 1HA GLY 22 HA2 GLY 22 -14.063 -8.035 -8.035 232 2HA GLY 22 HA1 GLY 22 -15.452 -7.222 -7.222 233 H ASP 23 HN ASP 23 -13.071 -5.045 -5.045 234 HA ASP 23 HA ASP 23 -13.839 -3.443 -3.443 235 1HB ASP 23 HB2 ASP 23 -12.954 -2.978 -2.978 236 2HB ASP 23 HB1 ASP 23 -11.714 -2.320 -2.320 237 H ILE 24 HN ILE 24 -12.873 -4.400 -4.400 238 HA ILE 24 HA ILE 24 -10.110 -5.237 -5.237 239 HB ILE 24 HB ILE 24 -11.642 -4.586 -4.586 240 1HG1 ILE 24 HG12 ILE 24 -12.000 -6.952 -6.952 241 2HG1 ILE 24 HG11 ILE 24 -13.249 -5.874 -5.874 242 1HG2 ILE 24 HG21 ILE 24 -9.125 -5.457 -5.457 243 2HG2 ILE 24 HG23 ILE 24 -9.948 -7.011 -7.011 244 3HG2 ILE 24 HG22 ILE 24 -10.079 -5.975 -5.975 245 1HD1 ILE 24 HD11 ILE 24 -12.205 -6.858 -6.858 246 2HD1 ILE 24 HD13 ILE 24 -12.045 -8.244 -8.244 247 3HD1 ILE 24 HD12 ILE 24 -13.626 -7.511 -7.511 248 H LEU 25 HN LEU 25 -8.328 -4.172 -4.172 249 HA LEU 25 HA LEU 25 -8.608 -1.229 -1.229 250 1HB LEU 25 HB2 LEU 25 -6.002 -2.701 -2.701 251 2HB LEU 25 HB1 LEU 25 -6.367 -1.019 -1.019 252 HG LEU 25 HG LEU 25 -6.293 -2.074 -2.074 253 1HD1 LEU 25 HD12 LEU 25 -8.962 -1.348 -1.348 254 2HD1 LEU 25 HD11 LEU 25 -8.991 -2.407 -2.407 255 3HD1 LEU 25 HD13 LEU 25 -8.125 -0.879 -0.879 256 1HD2 LEU 25 HD23 LEU 25 -6.725 -4.417 -4.417 257 2HD2 LEU 25 HD22 LEU 25 -6.850 -4.235 -4.235 258 3HD2 LEU 25 HD21 LEU 25 -8.307 -4.192 -4.192 259 H LYS 26 HN LYS 26 -7.001 -0.177 -0.177 260 HA LYS 26 HA LYS 26 -6.816 -1.879 -1.879 261 1HB LYS 26 HB2 LYS 26 -7.824 0.743 0.743 262 2HB LYS 26 HB1 LYS 26 -6.312 0.950 0.950 263 1HG LYS 26 HG2 LYS 26 -7.584 0.519 0.519 264 2HG LYS 26 HG1 LYS 26 -7.421 -1.166 -1.166 265 1HD LYS 26 HD2 LYS 26 -9.559 -1.249 -1.249 266 2HD LYS 26 HD1 LYS 26 -9.607 0.489 0.489 267 1HE LYS 26 HE2 LYS 26 -9.378 0.400 0.400 268 2HE LYS 26 HE1 LYS 26 -10.374 -1.018 -1.018 269 1HZ LYS 26 HZ1 LYS 26 -10.917 1.694 1.694 270 2HZ LYS 26 HZ3 LYS 26 -11.662 1.048 1.048 271 3HZ LYS 26 HZ2 LYS 26 -11.913 0.324 0.324 272 H VAL 27 HN VAL 27 -4.774 -2.852 -2.852 273 HA VAL 27 HA VAL 27 -2.497 -1.600 -1.600 274 HB VAL 27 HB VAL 27 -2.502 -3.757 -3.757 275 1HG1 VAL 27 HG13 VAL 27 -0.446 -2.500 -2.500 276 2HG1 VAL 27 HG12 VAL 27 -0.436 -4.267 -4.267 277 3HG1 VAL 27 HG11 VAL 27 -0.258 -3.394 -3.394 278 1HG2 VAL 27 HG22 VAL 27 -3.386 -3.736 -3.736 279 2HG2 VAL 27 HG21 VAL 27 -3.639 -4.961 -4.961 280 3HG2 VAL 27 HG23 VAL 27 -2.141 -4.948 -4.948 281 H LEU 28 HN LEU 28 -1.733 0.304 0.304 282 HA LEU 28 HA LEU 28 -1.651 0.949 0.949 283 1HB LEU 28 HB2 LEU 28 -0.335 2.710 2.710 284 2HB LEU 28 HB1 LEU 28 -1.213 3.162 3.162 285 HG LEU 28 HG LEU 28 -3.046 1.868 1.868 286 1HD1 LEU 28 HD12 LEU 28 -1.382 4.083 4.083 287 2HD1 LEU 28 HD11 LEU 28 -2.937 3.563 3.563 288 3HD1 LEU 28 HD13 LEU 28 -1.575 2.444 2.444 289 1HD2 LEU 28 HD21 LEU 28 -2.718 4.425 4.425 290 2HD2 LEU 28 HD23 LEU 28 -4.125 3.370 3.370 291 3HD2 LEU 28 HD22 LEU 28 -3.756 4.498 4.498 292 H ASN 29 HN ASN 29 0.457 0.079 0.079 293 HA ASN 29 HA ASN 29 2.604 -0.541 -0.541 294 1HB ASN 29 HB2 ASN 29 2.633 1.991 1.991 295 2HB ASN 29 HB1 ASN 29 3.563 1.161 1.161 296 1HD2 ASN 29 HD22 ASN 29 6.360 0.553 0.553 297 2HD2 ASN 29 HD21 ASN 29 5.621 0.196 0.196 298 H GLU 30 HN GLU 30 4.560 -1.469 -1.469 299 HA GLU 30 HA GLU 30 3.607 -2.837 -2.837 300 1HB GLU 30 HB2 GLU 30 3.951 -4.146 -4.146 301 2HB GLU 30 HB1 GLU 30 5.591 -4.246 -4.246 302 1HG GLU 30 HG2 GLU 30 3.119 -5.025 -5.025 303 2HG GLU 30 HG1 GLU 30 4.122 -6.172 -6.172 304 H GLU 31 HN GLU 31 4.835 -0.647 -0.647 305 HA GLU 31 HA GLU 31 7.769 -1.016 -1.016 306 1HB GLU 31 HB2 GLU 31 6.037 1.242 1.242 307 2HB GLU 31 HB1 GLU 31 7.799 1.242 1.242 308 1HG GLU 31 HG2 GLU 31 7.287 0.648 0.648 309 2HG GLU 31 HG1 GLU 31 5.793 1.512 1.512 310 H CYS 32 HN CYS 32 8.661 -0.235 -0.235 311 HA CYS 32 HA CYS 32 8.930 -0.781 -0.781 312 1HB CYS 32 HB2 CYS 32 6.257 -0.080 -0.080 313 2HB CYS 32 HB1 CYS 32 6.167 -1.694 -1.694 314 HG CYS 32 HG CYS 32 7.872 0.576 0.576 315 H ASP 33 HN ASP 33 7.950 -2.761 -2.761 316 HA ASP 33 HA ASP 33 9.303 -5.039 -5.039 317 1HB ASP 33 HB2 ASP 33 7.858 -4.360 -4.360 318 2HB ASP 33 HB1 ASP 33 6.697 -5.430 -5.430 319 H GLN 34 HN GLN 34 8.418 -7.259 -7.259 320 HA GLN 34 HA GLN 34 6.842 -7.044 -7.044 321 1HB GLN 34 HB2 GLN 34 8.628 -9.094 -9.094 322 2HB GLN 34 HB1 GLN 34 7.346 -9.674 -9.674 323 1HG GLN 34 HG2 GLN 34 8.171 -8.487 -8.487 324 2HG GLN 34 HG1 GLN 34 9.101 -7.378 -7.378 325 1HE2 GLN 34 HE22 GLN 34 10.698 -10.994 -10.994 326 2HE2 GLN 34 HE21 GLN 34 9.075 -10.642 -10.642 327 H ASN 35 HN ASN 35 5.807 -6.951 -6.951 328 HA ASN 35 HA ASN 35 3.705 -9.004 -9.004 329 1HB ASN 35 HB2 ASN 35 4.746 -7.646 -7.646 330 2HB ASN 35 HB1 ASN 35 3.376 -8.762 -8.762 331 1HD2 ASN 35 HD22 ASN 35 7.149 -10.275 -10.275 332 2HD2 ASN 35 HD21 ASN 35 6.842 -8.642 -8.642 333 H TRP 36 HN TRP 36 4.352 -5.686 -5.686 334 HA TRP 36 HA TRP 36 1.440 -5.075 -5.075 335 1HB TRP 36 HB2 TRP 36 3.705 -3.081 -3.081 336 2HB TRP 36 HB1 TRP 36 2.000 -2.830 -2.830 337 HD1 TRP 36 HD1 TRP 36 4.666 -5.483 -5.483 338 HE1 TRP 36 HE1 TRP 36 4.506 -5.711 -5.711 339 HE3 TRP 36 HE3 TRP 36 0.830 -2.178 -2.178 340 HZ2 TRP 36 HZ2 TRP 36 3.043 -4.655 -4.655 341 HZ3 TRP 36 HZ3 TRP 36 0.140 -1.812 -1.812 342 HH2 TRP 36 HH2 TRP 36 1.224 -3.052 -3.052 343 H TYR 37 HN TYR 37 0.556 -3.624 -3.624 344 HA TYR 37 HA TYR 37 2.345 -3.179 -3.179 345 1HB TYR 37 HB2 TYR 37 -0.587 -3.725 -3.725 346 2HB TYR 37 HB1 TYR 37 0.721 -3.886 -3.886 347 HD1 TYR 37 HD1 TYR 37 2.656 -5.635 -5.635 348 HD2 TYR 37 HD2 TYR 37 -1.582 -5.656 -5.656 349 HE1 TYR 37 HE1 TYR 37 2.745 -8.063 -8.063 350 HE2 TYR 37 HE2 TYR 37 -1.515 -8.067 -8.067 351 HH TYR 37 HH TYR 37 1.508 -9.762 -9.762 352 H LYS 38 HN LYS 38 1.990 -1.268 -1.268 353 HA LYS 38 HA LYS 38 0.485 0.837 0.837 354 1HB LYS 38 HB2 LYS 38 2.576 1.237 1.237 355 2HB LYS 38 HB1 LYS 38 1.621 0.862 0.862 356 1HG LYS 38 HG2 LYS 38 -0.042 2.630 2.630 357 2HG LYS 38 HG1 LYS 38 1.432 3.202 3.202 358 1HD LYS 38 HD2 LYS 38 2.070 2.706 2.706 359 2HD LYS 38 HD1 LYS 38 0.558 3.620 3.620 360 1HE LYS 38 HE2 LYS 38 1.813 5.077 5.077 361 2HE LYS 38 HE1 LYS 38 3.260 4.409 4.409 362 1HZ LYS 38 HZ1 LYS 38 1.071 5.768 5.768 363 2HZ LYS 38 HZ3 LYS 38 2.506 6.529 6.529 364 3HZ LYS 38 HZ2 LYS 38 2.558 5.252 5.252 365 H ALA 39 HN ALA 39 -1.594 1.497 1.497 366 HA ALA 39 HA ALA 39 -2.901 0.722 0.722 367 1HB ALA 39 HB2 ALA 39 -2.858 -1.434 -1.434 368 2HB ALA 39 HB1 ALA 39 -3.862 -0.643 -0.643 369 3HB ALA 39 HB3 ALA 39 -4.482 -0.866 -0.866 370 H GLU 40 HN GLU 40 -5.403 0.984 0.984 371 HA GLU 40 HA GLU 40 -5.850 3.177 3.177 372 1HB GLU 40 HB2 GLU 40 -5.384 4.776 4.776 373 2HB GLU 40 HB1 GLU 40 -4.881 3.573 3.573 374 1HG GLU 40 HG2 GLU 40 -7.366 3.461 3.461 375 2HG GLU 40 HG1 GLU 40 -7.576 4.918 4.918 376 H LEU 41 HN LEU 41 -7.802 3.473 3.473 377 HA LEU 41 HA LEU 41 -9.933 1.757 1.757 378 1HB LEU 41 HB2 LEU 41 -9.474 3.001 3.001 379 2HB LEU 41 HB1 LEU 41 -11.152 2.774 2.774 380 HG LEU 41 HG LEU 41 -9.159 0.584 0.584 381 1HD1 LEU 41 HD11 LEU 41 -10.596 1.505 1.505 382 2HD1 LEU 41 HD13 LEU 41 -10.263 -0.211 -0.211 383 3HD1 LEU 41 HD12 LEU 41 -8.933 0.945 0.945 384 1HD2 LEU 41 HD23 LEU 41 -11.343 0.489 0.489 385 2HD2 LEU 41 HD22 LEU 41 -11.215 -0.764 -0.764 386 3HD2 LEU 41 HD21 LEU 41 -12.153 0.695 0.695 387 H ASN 42 HN ASN 42 -10.602 2.682 2.682 388 HA ASN 42 HA ASN 42 -11.646 4.271 4.271 389 1HB ASN 42 HB2 ASN 42 -13.167 3.876 3.876 390 2HB ASN 42 HB1 ASN 42 -13.718 5.153 5.153 391 1HD2 ASN 42 HD22 ASN 42 -15.161 1.729 1.729 392 2HD2 ASN 42 HD21 ASN 42 -15.021 2.497 2.497 393 H GLY 43 HN GLY 43 -9.556 5.617 5.617 394 1HA GLY 43 HA2 GLY 43 -9.581 8.217 8.217 395 2HA GLY 43 HA1 GLY 43 -10.757 8.250 8.250 396 H LYS 44 HN LYS 44 -9.609 6.483 6.483 397 HA LYS 44 HA LYS 44 -7.417 8.032 8.032 398 1HB LYS 44 HB2 LYS 44 -9.085 5.786 5.786 399 2HB LYS 44 HB1 LYS 44 -7.466 6.022 6.022 400 1HG LYS 44 HG2 LYS 44 -8.384 7.561 7.561 401 2HG LYS 44 HG1 LYS 44 -8.458 8.591 8.591 402 1HD LYS 44 HD2 LYS 44 -10.662 6.635 6.635 403 2HD LYS 44 HD1 LYS 44 -10.656 8.301 8.301 404 1HE LYS 44 HE2 LYS 44 -10.228 8.812 8.812 405 2HE LYS 44 HE1 LYS 44 -11.038 7.258 7.258 406 1HZ LYS 44 HZ3 LYS 44 -12.159 9.386 9.386 407 2HZ LYS 44 HZ2 LYS 44 -12.483 9.330 9.330 408 3HZ LYS 44 HZ1 LYS 44 -12.948 8.040 8.040 409 H ASP 45 HN ASP 45 -5.457 6.935 6.935 410 HA ASP 45 HA ASP 45 -4.829 4.631 4.631 411 1HB ASP 45 HB2 ASP 45 -3.074 7.026 7.026 412 2HB ASP 45 HB1 ASP 45 -3.112 5.650 5.650 413 H GLY 46 HN GLY 46 -2.287 4.179 4.179 414 1HA GLY 46 HA2 GLY 46 -0.478 4.619 4.619 415 2HA GLY 46 HA1 GLY 46 -1.750 4.469 4.469 416 H PHE 47 HN PHE 47 0.490 2.891 2.891 417 HA PHE 47 HA PHE 47 0.343 0.333 0.333 418 1HB PHE 47 HB2 PHE 47 1.648 1.192 1.192 419 2HB PHE 47 HB1 PHE 47 1.869 -0.401 -0.401 420 HD1 PHE 47 HD1 PHE 47 2.698 -0.500 -0.500 421 HD2 PHE 47 HD2 PHE 47 2.948 3.016 3.016 422 HE1 PHE 47 HE1 PHE 47 4.436 0.422 0.422 423 HE2 PHE 47 HE2 PHE 47 4.691 3.942 3.942 424 HZ PHE 47 HZ PHE 47 5.436 2.643 2.643 425 H ILE 48 HN ILE 48 -0.100 -1.812 -1.812 426 HA ILE 48 HA ILE 48 -1.924 -1.621 -1.621 427 HB ILE 48 HB ILE 48 -3.543 -3.221 -3.221 428 1HG1 ILE 48 HG12 ILE 48 -2.209 -1.872 -1.872 429 2HG1 ILE 48 HG11 ILE 48 -2.033 -3.577 -3.577 430 1HG2 ILE 48 HG21 ILE 48 -3.667 -0.615 -0.615 431 2HG2 ILE 48 HG23 ILE 48 -3.634 -0.495 -0.495 432 3HG2 ILE 48 HG22 ILE 48 -4.910 -1.415 -1.415 433 1HD1 ILE 48 HD11 ILE 48 -4.761 -3.302 -3.302 434 2HD1 ILE 48 HD13 ILE 48 -4.299 -2.168 -2.168 435 3HD1 ILE 48 HD12 ILE 48 -3.822 -3.863 -3.863 436 HA PRO 49 HA PRO 49 0.581 -5.254 -5.254 437 1HB PRO 49 HB2 PRO 49 -0.746 -6.149 -6.149 438 2HB PRO 49 HB1 PRO 49 0.497 -4.885 -4.885 439 1HG PRO 49 HG2 PRO 49 -2.501 -4.597 -4.597 440 2HG PRO 49 HG1 PRO 49 -1.253 -3.594 -3.594 441 1HD PRO 49 HD2 PRO 49 -2.587 -2.849 -2.849 442 2HD PRO 49 HD1 PRO 49 -1.012 -2.260 -2.260 443 H LYS 50 HN LYS 50 0.178 -6.768 -6.768 444 HA LYS 50 HA LYS 50 -2.213 -7.762 -7.762 445 1HB LYS 50 HB2 LYS 50 -0.047 -8.129 -8.129 446 2HB LYS 50 HB1 LYS 50 0.429 -9.160 -9.160 447 1HG LYS 50 HG2 LYS 50 -1.891 -10.373 -10.373 448 2HG LYS 50 HG1 LYS 50 -1.218 -9.771 -9.771 449 1HD LYS 50 HD2 LYS 50 1.047 -10.715 -10.715 450 2HD LYS 50 HD1 LYS 50 -0.074 -11.753 -11.753 451 1HE LYS 50 HE2 LYS 50 -0.837 -12.835 -12.835 452 2HE LYS 50 HE1 LYS 50 -0.489 -11.458 -11.458 453 1HZ LYS 50 HZ1 LYS 50 1.911 -11.917 -11.917 454 2HZ LYS 50 HZ3 LYS 50 1.450 -13.363 -13.363 455 3HZ LYS 50 HZ2 LYS 50 1.109 -13.119 -13.119 456 H ASN 51 HN ASN 51 -0.894 -8.601 -8.601 457 HA ASN 51 HA ASN 51 -1.978 -11.109 -11.109 458 1HB ASN 51 HB2 ASN 51 -1.190 -8.896 -8.896 459 2HB ASN 51 HB1 ASN 51 -2.155 -10.127 -10.127 460 1HD2 ASN 51 HD22 ASN 51 1.563 -11.170 -11.170 461 2HD2 ASN 51 HD21 ASN 51 0.727 -9.894 -9.894 462 H TYR 52 HN TYR 52 -3.422 -7.984 -7.984 463 HA TYR 52 HA TYR 52 -6.089 -9.105 -9.105 464 1HB TYR 52 HB2 TYR 52 -4.828 -6.375 -6.375 465 2HB TYR 52 HB1 TYR 52 -6.572 -6.515 -6.515 466 HD1 TYR 52 HD1 TYR 52 -3.650 -7.841 -7.841 467 HD2 TYR 52 HD2 TYR 52 -7.748 -6.622 -6.622 468 HE1 TYR 52 HE1 TYR 52 -3.769 -8.083 -8.083 469 HE2 TYR 52 HE2 TYR 52 -7.860 -6.847 -6.847 470 HH TYR 52 HH TYR 52 -6.333 -6.854 -6.854 471 H ILE 53 HN ILE 53 -4.854 -9.603 -9.603 472 HA ILE 53 HA ILE 53 -6.835 -8.619 -8.619 473 HB ILE 53 HB ILE 53 -4.309 -7.988 -7.988 474 1HG1 ILE 53 HG12 ILE 53 -5.120 -6.194 -6.194 475 2HG1 ILE 53 HG11 ILE 53 -3.753 -7.299 -7.299 476 1HG2 ILE 53 HG22 ILE 53 -6.644 -7.362 -7.362 477 2HG2 ILE 53 HG21 ILE 53 -6.605 -6.126 -6.126 478 3HG2 ILE 53 HG23 ILE 53 -5.432 -6.095 -6.095 479 1HD1 ILE 53 HD11 ILE 53 -2.963 -6.152 -6.152 480 2HD1 ILE 53 HD13 ILE 53 -4.186 -4.933 -4.933 481 3HD1 ILE 53 HD12 ILE 53 -2.870 -5.195 -5.195 482 H GLU 54 HN GLU 54 -6.031 -9.189 -9.189 483 HA GLU 54 HA GLU 54 -4.316 -11.421 -11.421 484 1HB GLU 54 HB2 GLU 54 -7.160 -11.805 -11.805 485 2HB GLU 54 HB1 GLU 54 -6.562 -12.382 -12.382 486 1HG GLU 54 HG2 GLU 54 -4.932 -13.112 -13.112 487 2HG GLU 54 HG1 GLU 54 -6.510 -13.890 -13.890 488 H MET 55 HN MET 55 -3.919 -11.818 -11.818 489 HA MET 55 HA MET 55 -4.341 -9.325 -9.325 490 1HB MET 55 HB2 MET 55 -2.061 -10.393 -10.393 491 2HB MET 55 HB1 MET 55 -2.594 -11.658 -11.658 492 1HG MET 55 HG2 MET 55 -2.625 -10.246 -10.246 493 2HG MET 55 HG1 MET 55 -2.977 -8.822 -8.822 494 1HE MET 55 HE3 MET 55 -1.615 -8.093 -8.093 495 2HE MET 55 HE2 MET 55 -0.630 -7.048 -7.048 496 3HE MET 55 HE1 MET 55 0.151 -8.135 -8.135 497 H LYS 56 HN LYS 56 -6.140 -9.285 -9.285 498 HA LYS 56 HA LYS 56 -6.900 -11.712 -11.712 499 1HB LYS 56 HB2 LYS 56 -8.333 -9.313 -9.313 500 2HB LYS 56 HB1 LYS 56 -8.880 -10.093 -10.093 501 1HG LYS 56 HG2 LYS 56 -9.072 -12.232 -12.232 502 2HG LYS 56 HG1 LYS 56 -8.397 -11.520 -11.520 503 1HD LYS 56 HD2 LYS 56 -10.887 -11.693 -11.693 504 2HD LYS 56 HD1 LYS 56 -10.334 -10.023 -10.023 505 1HE LYS 56 HE2 LYS 56 -10.780 -9.719 -9.719 506 2HE LYS 56 HE1 LYS 56 -11.313 -11.397 -11.397 507 1HZ LYS 56 HZ2 LYS 56 -12.894 -10.661 -10.661 508 2HZ LYS 56 HZ1 LYS 56 -12.637 -9.115 -9.115 509 3HZ LYS 56 HZ3 LYS 56 -13.297 -10.341 -10.341 510 HA PRO 57 HA PRO 57 -5.454 -10.117 -10.117 511 1HB PRO 57 HB2 PRO 57 -6.749 -11.743 -11.743 512 2HB PRO 57 HB1 PRO 57 -5.331 -12.230 -12.230 513 1HG PRO 57 HG2 PRO 57 -8.181 -12.912 -12.912 514 2HG PRO 57 HG1 PRO 57 -6.741 -13.804 -13.804 515 1HD PRO 57 HD2 PRO 57 -8.333 -12.253 -12.253 516 2HD PRO 57 HD1 PRO 57 -6.710 -12.882 -12.882 517 H HIS 58 HN HIS 58 -6.707 -9.889 -9.889 518 HA HIS 58 HA HIS 58 -9.304 -8.547 -8.547 519 1HB HIS 58 HB2 HIS 58 -6.882 -7.091 -7.091 520 2HB HIS 58 HB1 HIS 58 -7.659 -6.910 -6.910 521 HD1 HIS 58 HD1 HIS 58 -10.508 -6.554 -6.554 522 HD2 HIS 58 HD2 HIS 58 -7.751 -5.063 -5.063 523 HE1 HIS 58 HE1 HIS 58 -11.712 -4.758 -4.758 524 HA PRO 59 HA PRO 59 -9.512 -10.863 -10.863 525 1HB PRO 59 HB2 PRO 59 -12.241 -10.705 -10.705 526 2HB PRO 59 HB1 PRO 59 -11.442 -11.884 -11.884 527 1HG PRO 59 HG2 PRO 59 -12.952 -9.417 -9.417 528 2HG PRO 59 HG1 PRO 59 -12.688 -10.897 -10.897 529 1HD PRO 59 HD2 PRO 59 -11.304 -8.449 -8.449 530 2HD PRO 59 HD1 PRO 59 -10.838 -10.019 -10.019 531 H GLU 60 HN GLU 60 -12.235 -8.570 -8.570 532 HA GLU 60 HA GLU 60 -10.697 -6.863 -6.863 533 1HB GLU 60 HB2 GLU 60 -12.123 -8.962 -8.962 534 2HB GLU 60 HB1 GLU 60 -13.324 -7.672 -7.672 535 1HG GLU 60 HG2 GLU 60 -12.302 -7.174 -7.174 536 2HG GLU 60 HG1 GLU 60 -11.167 -6.325 -6.325 537 H PHE 61 HN PHE 61 -12.835 -5.409 -5.409 538 HA PHE 61 HA PHE 61 -13.585 -3.803 -3.803 539 1HB PHE 61 HB2 PHE 61 -14.273 -3.604 -3.604 540 2HB PHE 61 HB1 PHE 61 -14.787 -2.423 -2.423 541 HD1 PHE 61 HD1 PHE 61 -12.918 -1.410 -1.410 542 HD2 PHE 61 HD2 PHE 61 -12.174 -3.379 -3.379 543 HE1 PHE 61 HE1 PHE 61 -10.710 -0.292 -0.292 544 HE2 PHE 61 HE2 PHE 61 -9.966 -2.261 -2.261 545 HZ PHE 61 HZ PHE 61 -9.234 -0.717 -0.717 546 H ILE 62 HN ILE 62 -16.056 -2.987 -2.987 547 HA ILE 62 HA ILE 62 -17.663 -5.320 -5.320 548 HB ILE 62 HB ILE 62 -19.465 -3.603 -3.603 549 1HG1 ILE 62 HG12 ILE 62 -17.605 -1.333 -1.333 550 2HG1 ILE 62 HG11 ILE 62 -17.937 -2.075 -2.075 551 1HG2 ILE 62 HG22 ILE 62 -16.729 -3.189 -3.189 552 2HG2 ILE 62 HG21 ILE 62 -18.190 -2.413 -2.413 553 3HG2 ILE 62 HG23 ILE 62 -18.053 -4.171 -4.171 554 1HD1 ILE 62 HD13 ILE 62 -20.158 -1.390 -1.390 555 2HD1 ILE 62 HD12 ILE 62 -19.541 -0.215 -0.215 556 3HD1 ILE 62 HD11 ILE 62 -20.274 -1.714 -1.714 557 H VAL 63 HN VAL 63 -17.707 -6.431 -6.431 558 HA VAL 63 HA VAL 63 -18.776 -5.196 -5.196 559 HB VAL 63 HB VAL 63 -18.778 -8.146 -8.146 560 1HG1 VAL 63 HG11 VAL 63 -20.110 -7.488 -7.488 561 2HG1 VAL 63 HG13 VAL 63 -18.696 -6.675 -6.675 562 3HG1 VAL 63 HG12 VAL 63 -18.690 -8.427 -8.427 563 1HG2 VAL 63 HG23 VAL 63 -16.605 -6.275 -6.275 564 2HG2 VAL 63 HG22 VAL 63 -16.521 -7.625 -7.625 565 3HG2 VAL 63 HG21 VAL 63 -16.597 -7.932 -7.932 566 H THR 64 HN THR 64 -20.232 -7.524 -7.524 567 HA THR 64 HA THR 64 -22.873 -6.251 -6.251 568 HB THR 64 HB THR 64 -22.693 -9.247 -9.247 569 HG1 THR 64 HG1 THR 64 -22.239 -9.380 -9.380 570 1HG2 THR 64 HG23 THR 64 -24.826 -7.721 -7.721 571 2HG2 THR 64 HG22 THR 64 -24.583 -7.603 -7.603 572 3HG2 THR 64 HG21 THR 64 -24.842 -9.179 -9.179 573 H ASP 65 HN ASP 65 -21.016 -6.140 -6.140 574 HA ASP 65 HA ASP 65 -22.524 -7.675 -7.675 575 1HB ASP 65 HB2 ASP 65 -19.780 -6.390 -6.390 576 2HB ASP 65 HB1 ASP 65 -20.554 -7.028 -7.028 577 1H SER 1 HT2 SER 1 -13.020 -14.044 -14.044 578 2H SER 1 HT1 SER 1 -14.540 -13.471 -13.471 579 3H SER 1 HT3 SER 1 -14.137 -13.496 -13.496 580 HA SER 1 HA SER 1 -12.936 -11.621 -11.621 581 1HB SER 1 HB2 SER 1 -14.072 -10.868 -10.868 582 2HB SER 1 HB1 SER 1 -14.168 -10.039 -10.039 583 HG SER 1 HG SER 1 -15.932 -11.718 -11.718 584 HA PRO 2 HA PRO 2 -10.340 -11.630 -11.630 585 1HB PRO 2 HB2 PRO 2 -10.794 -13.551 -13.551 586 2HB PRO 2 HB1 PRO 2 -11.602 -11.972 -11.972 587 1HG PRO 2 HG2 PRO 2 -12.712 -14.648 -14.648 588 2HG PRO 2 HG1 PRO 2 -13.558 -13.202 -13.202 589 1HD PRO 2 HD2 PRO 2 -13.429 -14.114 -14.114 590 2HD PRO 2 HD1 PRO 2 -14.040 -12.541 -12.541 591 H LEU 3 HN LEU 3 -8.779 -12.449 -12.449 592 HA LEU 3 HA LEU 3 -7.438 -14.868 -14.868 593 1HB LEU 3 HB2 LEU 3 -9.453 -15.865 -15.865 594 2HB LEU 3 HB1 LEU 3 -8.947 -15.063 -15.063 595 HG LEU 3 HG LEU 3 -6.875 -16.665 -16.665 596 1HD1 LEU 3 HD13 LEU 3 -9.311 -17.839 -17.839 597 2HD1 LEU 3 HD12 LEU 3 -7.786 -18.719 -18.719 598 3HD1 LEU 3 HD11 LEU 3 -8.632 -18.244 -18.244 599 1HD2 LEU 3 HD21 LEU 3 -7.711 -16.053 -16.053 600 2HD2 LEU 3 HD23 LEU 3 -6.184 -15.679 -15.679 601 3HD2 LEU 3 HD22 LEU 3 -6.558 -17.343 -17.343 602 H LEU 4 HN LEU 4 -8.122 -12.543 -12.543 603 HA LEU 4 HA LEU 4 -5.695 -12.891 -12.891 604 1HB LEU 4 HB2 LEU 4 -7.424 -10.426 -10.426 605 2HB LEU 4 HB1 LEU 4 -6.160 -10.621 -10.621 606 HG LEU 4 HG LEU 4 -8.417 -12.607 -12.607 607 1HD1 LEU 4 HD11 LEU 4 -9.291 -10.270 -10.270 608 2HD1 LEU 4 HD13 LEU 4 -8.339 -10.209 -10.209 609 3HD1 LEU 4 HD12 LEU 4 -9.641 -11.387 -11.387 610 1HD2 LEU 4 HD22 LEU 4 -6.326 -13.177 -13.177 611 2HD2 LEU 4 HD21 LEU 4 -7.783 -13.174 -13.174 612 3HD2 LEU 4 HD23 LEU 4 -6.664 -11.813 -11.813 613 HA PRO 5 HA PRO 5 -3.001 -10.926 -10.926 614 1HB PRO 5 HB2 PRO 5 -0.682 -11.049 -11.049 615 2HB PRO 5 HB1 PRO 5 -1.350 -12.434 -12.434 616 1HG PRO 5 HG2 PRO 5 -1.343 -11.911 -11.911 617 2HG PRO 5 HG1 PRO 5 -1.431 -13.456 -13.456 618 1HD PRO 5 HD2 PRO 5 -3.611 -12.082 -12.082 619 2HD PRO 5 HD1 PRO 5 -3.720 -13.469 -13.469 620 H LYS 6 HN LYS 6 -1.648 -8.902 -8.902 621 HA LYS 6 HA LYS 6 -2.567 -6.963 -6.963 622 1HB LYS 6 HB2 LYS 6 -2.492 -6.805 -6.805 623 2HB LYS 6 HB1 LYS 6 -1.111 -5.832 -5.832 624 1HG LYS 6 HG2 LYS 6 -2.798 -4.812 -4.812 625 2HG LYS 6 HG1 LYS 6 -4.026 -5.449 -5.449 626 1HD LYS 6 HD2 LYS 6 -3.525 -3.950 -3.950 627 2HD LYS 6 HD1 LYS 6 -1.804 -3.942 -3.942 628 1HE LYS 6 HE2 LYS 6 -2.601 -2.743 -2.743 629 2HE LYS 6 HE1 LYS 6 -4.029 -2.358 -2.358 630 1HZ LYS 6 HZ1 LYS 6 -2.302 -1.626 -1.626 631 2HZ LYS 6 HZ3 LYS 6 -1.233 -1.550 -1.550 632 3HZ LYS 6 HZ2 LYS 6 -2.638 -0.595 -0.595 633 H LEU 7 HN LEU 7 -0.620 -5.011 -5.011 634 HA LEU 7 HA LEU 7 1.922 -6.400 -6.400 635 1HB LEU 7 HB2 LEU 7 0.451 -4.268 -4.268 636 2HB LEU 7 HB1 LEU 7 2.174 -4.554 -4.554 637 HG LEU 7 HG LEU 7 1.017 -5.824 -5.824 638 1HD1 LEU 7 HD11 LEU 7 2.909 -6.965 -6.965 639 2HD1 LEU 7 HD13 LEU 7 1.688 -7.819 -7.819 640 3HD1 LEU 7 HD12 LEU 7 1.781 -8.063 -8.063 641 1HD2 LEU 7 HD21 LEU 7 -1.080 -5.929 -5.929 642 2HD2 LEU 7 HD23 LEU 7 -1.006 -6.843 -6.843 643 3HD2 LEU 7 HD22 LEU 7 -0.510 -7.597 -7.597 644 HA PRO 8 HA PRO 8 2.534 -2.787 -2.787 645 1HB PRO 8 HB2 PRO 8 3.411 -4.197 -4.197 646 2HB PRO 8 HB1 PRO 8 1.708 -3.797 -3.797 647 1HG PRO 8 HG2 PRO 8 3.096 -6.426 -6.426 648 2HG PRO 8 HG1 PRO 8 1.388 -6.092 -6.092 649 1HD PRO 8 HD2 PRO 8 2.474 -6.822 -6.822 650 2HD PRO 8 HD1 PRO 8 0.850 -6.183 -6.183 651 HA PRO 9 HA PRO 9 6.924 -3.294 -3.294 652 1HB PRO 9 HB2 PRO 9 7.688 -0.703 -0.703 653 2HB PRO 9 HB1 PRO 9 6.876 -1.214 -1.214 654 1HG PRO 9 HG2 PRO 9 5.772 0.347 0.347 655 2HG PRO 9 HG1 PRO 9 5.226 0.290 0.290 656 1HD PRO 9 HD2 PRO 9 4.045 -1.070 -1.070 657 2HD PRO 9 HD1 PRO 9 3.640 -1.286 -1.286 658 H LYS 10 HN LYS 10 9.069 -2.635 -2.635 659 HA LYS 10 HA LYS 10 9.035 -1.943 -1.943 660 1HB LYS 10 HB2 LYS 10 8.016 -4.476 -4.476 661 2HB LYS 10 HB1 LYS 10 9.728 -4.816 -4.816 662 1HG LYS 10 HG2 LYS 10 9.229 -2.899 -2.899 663 2HG LYS 10 HG1 LYS 10 7.704 -3.784 -3.784 664 1HD LYS 10 HD2 LYS 10 8.918 -5.905 -5.905 665 2HD LYS 10 HD1 LYS 10 10.449 -5.029 -5.029 666 1HE LYS 10 HE2 LYS 10 8.253 -4.254 -4.254 667 2HE LYS 10 HE1 LYS 10 9.295 -5.627 -5.627 668 1HZ LYS 10 HZ1 LYS 10 11.203 -4.059 -4.059 669 2HZ LYS 10 HZ3 LYS 10 10.069 -2.800 -2.800 670 3HZ LYS 10 HZ2 LYS 10 10.333 -3.778 -3.778 671 H THR 11 HN THR 11 11.231 -2.580 -2.580 672 HA THR 11 HA THR 11 13.333 -2.699 -2.699 673 HB THR 11 HB THR 11 14.700 -1.245 -1.245 674 HG1 THR 11 HG1 THR 11 13.760 -0.406 -0.406 675 1HG2 THR 11 HG23 THR 11 12.086 -0.194 -0.194 676 2HG2 THR 11 HG22 THR 11 13.398 0.843 0.843 677 3HG2 THR 11 HG21 THR 11 13.650 -0.232 -0.232 678 H TYR 12 HN TYR 12 15.590 -3.037 -3.037 679 HA TYR 12 HA TYR 12 15.092 -5.256 -5.256 680 1HB TYR 12 HB2 TYR 12 16.461 -5.423 -5.423 681 2HB TYR 12 HB1 TYR 12 17.214 -6.287 -6.287 682 HD1 TYR 12 HD1 TYR 12 16.061 -8.133 -8.133 683 HD2 TYR 12 HD2 TYR 12 14.250 -6.047 -6.047 684 HE1 TYR 12 HE1 TYR 12 14.379 -9.942 -9.942 685 HE2 TYR 12 HE2 TYR 12 12.569 -7.854 -7.854 686 HH TYR 12 HH TYR 12 11.755 -9.882 -9.882 687 H LYS 13 HN LYS 13 18.169 -4.256 -4.256 688 HA LYS 13 HA LYS 13 18.970 -2.754 -2.754 689 1HB LYS 13 HB2 LYS 13 19.414 -5.459 -5.459 690 2HB LYS 13 HB1 LYS 13 20.915 -4.876 -4.876 691 1HG LYS 13 HG2 LYS 13 21.574 -3.793 -3.793 692 2HG LYS 13 HG1 LYS 13 19.922 -3.378 -3.378 693 1HD LYS 13 HD2 LYS 13 20.336 -4.999 -4.999 694 2HD LYS 13 HD1 LYS 13 19.739 -6.031 -6.031 695 1HE LYS 13 HE2 LYS 13 22.524 -5.638 -5.638 696 2HE LYS 13 HE1 LYS 13 22.331 -6.045 -6.045 697 1HZ LYS 13 HZ2 LYS 13 20.920 -7.574 -7.574 698 2HZ LYS 13 HZ1 LYS 13 22.529 -7.938 -7.938 699 3HZ LYS 13 HZ3 LYS 13 21.315 -8.047 -8.047 700 H ARG 14 HN ARG 14 21.762 -2.787 -2.787 701 HA ARG 14 HA ARG 14 21.833 -1.286 -1.286 702 1HB ARG 14 HB2 ARG 14 23.973 -0.346 -0.346 703 2HB ARG 14 HB1 ARG 14 22.605 -0.030 -0.030 704 1HG ARG 14 HG2 ARG 14 23.260 -1.798 -1.798 705 2HG ARG 14 HG1 ARG 14 24.467 -2.394 -2.394 706 1HD ARG 14 HD2 ARG 14 24.566 0.385 0.385 707 2HD ARG 14 HD1 ARG 14 25.386 -0.999 -0.999 708 HE ARG 14 HE ARG 14 26.298 0.470 0.470 709 1HH1 ARG 14 HH11 ARG 14 26.001 -1.942 -1.942 710 2HH1 ARG 14 HH12 ARG 14 27.381 -2.900 -2.900 711 1HH2 ARG 14 HH21 ARG 14 28.104 -1.084 -1.084 712 2HH2 ARG 14 HH22 ARG 14 28.569 -2.417 -2.417 713 H GLU 15 HN GLU 15 23.206 -4.062 -4.062 714 HA GLU 15 HA GLU 15 24.862 -4.631 -4.631 715 1HB GLU 15 HB2 GLU 15 25.977 -4.311 -4.311 716 2HB GLU 15 HB1 GLU 15 25.335 -5.918 -5.918 717 1HG GLU 15 HG2 GLU 15 26.598 -6.916 -6.916 718 2HG GLU 15 HG1 GLU 15 26.935 -5.360 -5.360 Start of MODEL 20 1 1H GLY -8 HT1 GLY -8 7.715 -13.634 -13.634 2 2H GLY -8 HT3 GLY -8 8.103 -12.849 -12.849 3 3H GLY -8 HT2 GLY -8 8.916 -12.433 -12.433 4 1HA GLY -8 HA1 GLY -8 7.304 -10.862 -10.862 5 2HA GLY -8 HA2 GLY -8 6.161 -11.655 -11.655 6 H SER -7 HN SER -7 7.743 -12.781 -12.781 7 HA SER -7 HA SER -7 5.478 -12.170 -12.170 8 1HB SER -7 HB2 SER -7 8.200 -12.801 -12.801 9 2HB SER -7 HB1 SER -7 6.622 -13.317 -13.317 10 HG SER -7 HG SER -7 7.786 -14.979 -14.979 11 H ARG -6 HN ARG -6 8.531 -10.566 -10.566 12 HA ARG -6 HA ARG -6 8.045 -8.584 -8.584 13 1HB ARG -6 HB2 ARG -6 10.375 -9.254 -9.254 14 2HB ARG -6 HB1 ARG -6 10.292 -7.669 -7.669 15 1HG ARG -6 HG2 ARG -6 10.099 -8.715 -8.715 16 2HG ARG -6 HG1 ARG -6 10.101 -10.316 -10.316 17 1HD ARG -6 HD2 ARG -6 12.361 -9.671 -9.671 18 2HD ARG -6 HD1 ARG -6 12.358 -8.309 -8.309 19 HE ARG -6 HE ARG -6 12.962 -9.832 -9.832 20 1HH1 ARG -6 HH11 ARG -6 12.729 -11.632 -11.632 21 2HH1 ARG -6 HH12 ARG -6 12.249 -13.111 -13.111 22 1HH2 ARG -6 HH21 ARG -6 11.719 -11.646 -11.646 23 2HH2 ARG -6 HH22 ARG -6 11.676 -13.118 -13.118 24 H ARG -5 HN ARG -5 8.195 -8.847 -8.847 25 HA ARG -5 HA ARG -5 7.613 -5.973 -5.973 26 1HB ARG -5 HB2 ARG -5 8.480 -8.206 -8.206 27 2HB ARG -5 HB1 ARG -5 7.363 -7.076 -7.076 28 1HG ARG -5 HG2 ARG -5 8.888 -5.384 -5.384 29 2HG ARG -5 HG1 ARG -5 9.504 -5.789 -5.789 30 1HD ARG -5 HD2 ARG -5 11.278 -6.212 -6.212 31 2HD ARG -5 HD1 ARG -5 10.664 -7.777 -7.777 32 HE ARG -5 HE ARG -5 9.861 -8.154 -8.154 33 1HH1 ARG -5 HH21 ARG -5 11.956 -5.622 -5.622 34 2HH1 ARG -5 HH22 ARG -5 11.252 -4.834 -4.834 35 1HH2 ARG -5 HH11 ARG -5 8.405 -6.812 -6.812 36 2HH2 ARG -5 HH12 ARG -5 9.242 -5.507 -5.507 37 H ALA -4 HN ALA -4 5.550 -5.262 -5.262 38 HA ALA -4 HA ALA -4 3.386 -6.617 -6.617 39 1HB ALA -4 HB1 ALA -4 3.697 -6.898 -6.898 40 2HB ALA -4 HB3 ALA -4 2.070 -6.661 -6.661 41 3HB ALA -4 HB2 ALA -4 3.036 -8.039 -8.039 42 H SER -3 HN SER -3 1.359 -5.340 -5.340 43 HA SER -3 HA SER -3 1.873 -2.507 -2.507 44 1HB SER -3 HB2 SER -3 -0.047 -4.029 -4.029 45 2HB SER -3 HB1 SER -3 -0.918 -3.503 -3.503 46 HG SER -3 HG SER -3 0.323 -1.896 -1.896 47 H VAL -2 HN VAL -2 0.613 -0.923 -0.923 48 HA VAL -2 HA VAL -2 1.098 -1.485 -1.485 49 HB VAL -2 HB VAL -2 0.071 0.783 0.783 50 1HG1 VAL -2 HG13 VAL -2 2.507 0.354 0.354 51 2HG1 VAL -2 HG12 VAL -2 2.049 0.788 0.788 52 3HG1 VAL -2 HG11 VAL -2 1.893 1.971 1.971 53 1HG2 VAL -2 HG21 VAL -2 -1.393 0.342 0.342 54 2HG2 VAL -2 HG23 VAL -2 -0.895 1.980 1.980 55 3HG2 VAL -2 HG22 VAL -2 -0.017 1.084 1.084 56 H GLY -1 HN GLY -1 -0.939 -0.561 -0.561 57 1HA GLY -1 HA2 GLY -1 -3.518 -0.762 -0.762 58 2HA GLY -1 HA1 GLY -1 -3.194 -2.401 -2.401 59 H SER 0 HN SER 0 -3.479 -0.386 -0.386 60 HA SER 0 HA SER 0 -2.020 -1.939 -1.939 61 1HB SER 0 HB2 SER 0 -3.902 -0.909 -0.909 62 2HB SER 0 HB1 SER 0 -2.641 0.115 0.115 63 HG SER 0 HG SER 0 -5.220 -0.354 -0.354 64 H MET 1 HN MET 1 -2.945 -3.364 -3.364 65 HA MET 1 HA MET 1 -5.240 -4.957 -4.957 66 1HB MET 1 HB2 MET 1 -2.691 -5.722 -5.722 67 2HB MET 1 HB1 MET 1 -4.131 -6.687 -6.687 68 1HG MET 1 HG2 MET 1 -3.025 -7.684 -7.684 69 2HG MET 1 HG1 MET 1 -4.492 -6.897 -6.897 70 1HE MET 1 HE1 MET 1 -1.148 -7.615 -7.615 71 2HE MET 1 HE3 MET 1 -1.477 -7.503 -7.503 72 3HE MET 1 HE2 MET 1 -0.285 -6.441 -6.441 73 H GLU 2 HN GLU 2 -6.016 -6.357 -6.357 74 HA GLU 2 HA GLU 2 -6.563 -4.262 -4.262 75 1HB GLU 2 HB2 GLU 2 -8.385 -5.544 -5.544 76 2HB GLU 2 HB1 GLU 2 -8.559 -6.367 -6.367 77 1HG GLU 2 HG2 GLU 2 -9.025 -4.304 -4.304 78 2HG GLU 2 HG1 GLU 2 -8.581 -3.356 -3.356 79 H ALA 3 HN ALA 3 -7.427 -5.528 -5.528 80 HA ALA 3 HA ALA 3 -6.264 -8.146 -8.146 81 1HB ALA 3 HB3 ALA 3 -5.128 -5.730 -5.730 82 2HB ALA 3 HB2 ALA 3 -4.807 -7.389 -7.389 83 3HB ALA 3 HB1 ALA 3 -4.301 -6.829 -6.829 84 H ILE 4 HN ILE 4 -7.852 -9.079 -9.079 85 HA ILE 4 HA ILE 4 -9.967 -7.844 -7.844 86 HB ILE 4 HB ILE 4 -10.170 -10.043 -10.043 87 1HG1 ILE 4 HG12 ILE 4 -10.408 -10.845 -10.845 88 2HG1 ILE 4 HG11 ILE 4 -11.104 -9.257 -9.257 89 1HG2 ILE 4 HG22 ILE 4 -7.678 -10.520 -10.520 90 2HG2 ILE 4 HG21 ILE 4 -8.598 -11.327 -11.327 91 3HG2 ILE 4 HG23 ILE 4 -8.817 -11.802 -11.802 92 1HD1 ILE 4 HD13 ILE 4 -11.663 -11.491 -11.491 93 2HD1 ILE 4 HD12 ILE 4 -12.523 -11.423 -11.423 94 3HD1 ILE 4 HD11 ILE 4 -12.641 -10.081 -10.081 95 H ALA 5 HN ALA 5 -10.067 -6.923 -6.923 96 HA ALA 5 HA ALA 5 -7.935 -7.197 -7.197 97 1HB ALA 5 HB3 ALA 5 -10.631 -5.798 -5.798 98 2HB ALA 5 HB2 ALA 5 -9.570 -5.851 -5.851 99 3HB ALA 5 HB1 ALA 5 -9.031 -5.053 -5.053 100 H LYS 6 HN LYS 6 -7.903 -9.226 -9.226 101 HA LYS 6 HA LYS 6 -10.171 -10.932 -10.932 102 1HB LYS 6 HB2 LYS 6 -7.583 -10.973 -10.973 103 2HB LYS 6 HB1 LYS 6 -8.723 -12.308 -12.308 104 1HG LYS 6 HG2 LYS 6 -8.191 -12.650 -12.650 105 2HG LYS 6 HG1 LYS 6 -7.559 -11.015 -11.015 106 1HD LYS 6 HD2 LYS 6 -5.691 -12.553 -12.553 107 2HD LYS 6 HD1 LYS 6 -5.678 -11.610 -11.610 108 1HE LYS 6 HE2 LYS 6 -6.722 -13.440 -13.440 109 2HE LYS 6 HE1 LYS 6 -6.915 -14.370 -14.370 110 1HZ LYS 6 HZ3 LYS 6 -4.294 -13.482 -13.482 111 2HZ LYS 6 HZ2 LYS 6 -4.961 -15.017 -15.017 112 3HZ LYS 6 HZ1 LYS 6 -4.565 -14.544 -14.544 113 H TYR 7 HN TYR 7 -8.848 -8.392 -8.392 114 HA TYR 7 HA TYR 7 -11.110 -8.841 -8.841 115 1HB TYR 7 HB2 TYR 7 -8.355 -8.245 -8.245 116 2HB TYR 7 HB1 TYR 7 -9.759 -8.845 -8.845 117 HD1 TYR 7 HD1 TYR 7 -10.703 -11.169 -11.169 118 HD2 TYR 7 HD2 TYR 7 -6.682 -9.742 -9.742 119 HE1 TYR 7 HE1 TYR 7 -9.914 -13.494 -13.494 120 HE2 TYR 7 HE2 TYR 7 -5.887 -12.046 -12.046 121 HH TYR 7 HH TYR 7 -7.622 -14.457 -14.457 122 H ASP 8 HN ASP 8 -10.701 -6.975 -6.975 123 HA ASP 8 HA ASP 8 -10.882 -4.494 -4.494 124 1HB ASP 8 HB2 ASP 8 -12.126 -3.626 -3.626 125 2HB ASP 8 HB1 ASP 8 -12.697 -5.268 -5.268 126 H PHE 9 HN PHE 9 -9.989 -2.494 -2.494 127 HA PHE 9 HA PHE 9 -7.997 -2.423 -2.423 128 1HB PHE 9 HB2 PHE 9 -7.005 -3.816 -3.816 129 2HB PHE 9 HB1 PHE 9 -6.381 -2.187 -2.187 130 HD1 PHE 9 HD2 PHE 9 -7.086 -4.129 -4.129 131 HD2 PHE 9 HD1 PHE 9 -4.136 -2.207 -2.207 132 HE1 PHE 9 HE2 PHE 9 -5.362 -4.541 -4.541 133 HE2 PHE 9 HE1 PHE 9 -2.414 -2.618 -2.618 134 HZ PHE 9 HZ PHE 9 -3.026 -3.785 -3.785 135 H LYS 10 HN LYS 10 -6.453 -0.410 -0.410 136 HA LYS 10 HA LYS 10 -7.791 1.606 1.606 137 1HB LYS 10 HB2 LYS 10 -7.955 1.535 1.535 138 2HB LYS 10 HB1 LYS 10 -7.383 3.077 3.077 139 1HG LYS 10 HG2 LYS 10 -9.348 3.455 3.455 140 2HG LYS 10 HG1 LYS 10 -9.788 1.747 1.747 141 1HD LYS 10 HD2 LYS 10 -9.647 3.335 3.335 142 2HD LYS 10 HD1 LYS 10 -11.115 3.278 3.278 143 1HE LYS 10 HE2 LYS 10 -11.488 1.040 1.040 144 2HE LYS 10 HE1 LYS 10 -9.774 0.690 0.690 145 1HZ LYS 10 HZ2 LYS 10 -9.905 2.044 2.044 146 2HZ LYS 10 HZ1 LYS 10 -11.593 2.071 2.071 147 3HZ LYS 10 HZ3 LYS 10 -10.790 0.595 0.595 148 H ALA 11 HN ALA 11 -6.541 3.503 3.503 149 HA ALA 11 HA ALA 11 -3.789 2.921 2.921 150 1HB ALA 11 HB1 ALA 11 -5.464 5.374 5.374 151 2HB ALA 11 HB3 ALA 11 -3.705 5.513 5.513 152 3HB ALA 11 HB2 ALA 11 -4.552 4.501 4.501 153 H THR 12 HN THR 12 -2.106 3.182 3.182 154 HA THR 12 HA THR 12 -2.571 5.012 5.012 155 HB THR 12 HB THR 12 -1.663 3.257 3.257 156 HG1 THR 12 HG1 THR 12 -0.876 1.555 1.555 157 1HG2 THR 12 HG22 THR 12 -4.202 3.683 3.683 158 2HG2 THR 12 HG21 THR 12 -4.031 2.005 2.005 159 3HG2 THR 12 HG23 THR 12 -3.768 2.439 2.439 160 H ALA 13 HN ALA 13 -0.788 5.406 5.406 161 HA ALA 13 HA ALA 13 1.702 5.733 5.733 162 1HB ALA 13 HB3 ALA 13 1.484 4.154 4.154 163 2HB ALA 13 HB2 ALA 13 3.007 4.867 4.867 164 3HB ALA 13 HB1 ALA 13 2.212 3.654 3.654 165 H ASP 14 HN ASP 14 -0.345 7.325 7.325 166 HA ASP 14 HA ASP 14 -0.372 9.475 9.475 167 1HB ASP 14 HB2 ASP 14 1.906 9.642 9.642 168 2HB ASP 14 HB1 ASP 14 2.600 9.258 9.258 169 H ASP 15 HN ASP 15 1.187 6.864 6.864 170 HA ASP 15 HA ASP 15 0.175 7.931 7.931 171 1HB ASP 15 HB2 ASP 15 2.929 6.931 6.931 172 2HB ASP 15 HB1 ASP 15 2.257 6.716 6.716 173 H GLU 16 HN GLU 16 -0.786 5.948 5.948 174 HA GLU 16 HA GLU 16 -0.516 3.377 3.377 175 1HB GLU 16 HB2 GLU 16 -0.340 3.587 3.587 176 2HB GLU 16 HB1 GLU 16 -2.072 3.910 3.910 177 1HG GLU 16 HG2 GLU 16 -2.608 1.765 1.765 178 2HG GLU 16 HG1 GLU 16 -1.017 1.504 1.504 179 H LEU 17 HN LEU 17 -2.698 2.131 2.131 180 HA LEU 17 HA LEU 17 -4.807 4.039 4.039 181 1HB LEU 17 HB2 LEU 17 -3.671 3.032 3.032 182 2HB LEU 17 HB1 LEU 17 -3.993 1.423 1.423 183 HG LEU 17 HG LEU 17 -6.467 1.983 1.983 184 1HD1 LEU 17 HD12 LEU 17 -5.353 4.554 4.554 185 2HD1 LEU 17 HD11 LEU 17 -6.401 3.955 3.955 186 3HD1 LEU 17 HD13 LEU 17 -7.026 4.133 4.133 187 1HD2 LEU 17 HD22 LEU 17 -4.600 1.517 1.517 188 2HD2 LEU 17 HD21 LEU 17 -6.046 0.622 0.622 189 3HD2 LEU 17 HD23 LEU 17 -6.193 2.101 2.101 190 H SER 18 HN SER 18 -6.718 3.775 3.775 191 HA SER 18 HA SER 18 -7.152 1.583 1.583 192 1HB SER 18 HB2 SER 18 -8.841 2.912 2.912 193 2HB SER 18 HB1 SER 18 -7.785 4.106 4.106 194 HG SER 18 HG SER 18 -9.104 4.327 4.327 195 H PHE 19 HN PHE 19 -9.231 0.365 0.365 196 HA PHE 19 HA PHE 19 -10.908 0.175 0.175 197 1HB PHE 19 HB2 PHE 19 -10.080 -1.919 -1.919 198 2HB PHE 19 HB1 PHE 19 -8.894 -0.626 -0.626 199 HD1 PHE 19 HD1 PHE 19 -9.796 -3.664 -3.664 200 HD2 PHE 19 HD2 PHE 19 -6.738 -0.784 -0.784 201 HE1 PHE 19 HE1 PHE 19 -8.121 -5.075 -5.075 202 HE2 PHE 19 HE2 PHE 19 -5.066 -2.193 -2.193 203 HZ PHE 19 HZ PHE 19 -5.758 -4.339 -4.339 204 H LYS 20 HN LYS 20 -12.221 -1.914 -1.914 205 HA LYS 20 HA LYS 20 -12.324 -2.892 -2.892 206 1HB LYS 20 HB2 LYS 20 -14.602 -2.695 -2.695 207 2HB LYS 20 HB1 LYS 20 -14.725 -3.098 -3.098 208 1HG LYS 20 HG2 LYS 20 -13.319 -0.579 -0.579 209 2HG LYS 20 HG1 LYS 20 -14.936 -0.553 -0.553 210 1HD LYS 20 HD2 LYS 20 -15.789 -1.447 -1.447 211 2HD LYS 20 HD1 LYS 20 -14.174 -1.160 -1.160 212 1HE LYS 20 HE2 LYS 20 -14.382 1.140 1.140 213 2HE LYS 20 HE1 LYS 20 -15.515 1.073 1.073 214 1HZ LYS 20 HZ2 LYS 20 -16.302 -0.015 -0.015 215 2HZ LYS 20 HZ1 LYS 20 -16.360 1.663 1.663 216 3HZ LYS 20 HZ3 LYS 20 -17.275 0.624 0.624 217 H ARG 21 HN ARG 21 -13.705 -5.034 -5.034 218 HA ARG 21 HA ARG 21 -12.198 -6.983 -6.983 219 1HB ARG 21 HB2 ARG 21 -13.115 -7.370 -7.370 220 2HB ARG 21 HB1 ARG 21 -14.748 -7.277 -7.277 221 1HG ARG 21 HG2 ARG 21 -14.427 -9.245 -9.245 222 2HG ARG 21 HG1 ARG 21 -12.685 -9.237 -9.237 223 1HD ARG 21 HD2 ARG 21 -12.946 -9.808 -9.808 224 2HD ARG 21 HD1 ARG 21 -14.654 -9.374 -9.374 225 HE ARG 21 HE ARG 21 -14.164 -11.522 -11.522 226 1HH1 ARG 21 HH11 ARG 21 -13.111 -11.557 -11.557 227 2HH1 ARG 21 HH12 ARG 21 -14.199 -12.777 -12.777 228 1HH2 ARG 21 HH21 ARG 21 -16.147 -12.757 -12.757 229 2HH2 ARG 21 HH22 ARG 21 -15.918 -13.458 -13.458 230 H GLY 22 HN GLY 22 -12.551 -7.061 -7.061 231 1HA GLY 22 HA2 GLY 22 -14.038 -8.039 -8.039 232 2HA GLY 22 HA1 GLY 22 -15.389 -7.231 -7.231 233 H ASP 23 HN ASP 23 -12.744 -5.149 -5.149 234 HA ASP 23 HA ASP 23 -13.788 -3.658 -3.658 235 1HB ASP 23 HB2 ASP 23 -12.961 -2.948 -2.948 236 2HB ASP 23 HB1 ASP 23 -11.745 -2.297 -2.297 237 H ILE 24 HN ILE 24 -12.766 -4.435 -4.435 238 HA ILE 24 HA ILE 24 -10.000 -5.305 -5.305 239 HB ILE 24 HB ILE 24 -11.577 -4.705 -4.705 240 1HG1 ILE 24 HG12 ILE 24 -11.786 -7.068 -7.068 241 2HG1 ILE 24 HG11 ILE 24 -13.095 -6.040 -6.040 242 1HG2 ILE 24 HG22 ILE 24 -9.015 -5.484 -5.484 243 2HG2 ILE 24 HG21 ILE 24 -9.786 -7.064 -7.064 244 3HG2 ILE 24 HG23 ILE 24 -9.980 -6.021 -6.021 245 1HD1 ILE 24 HD12 ILE 24 -12.106 -6.992 -6.992 246 2HD1 ILE 24 HD11 ILE 24 -11.831 -8.364 -8.364 247 3HD1 ILE 24 HD13 ILE 24 -13.457 -7.713 -7.713 248 H LEU 25 HN LEU 25 -8.216 -4.206 -4.206 249 HA LEU 25 HA LEU 25 -8.482 -1.283 -1.283 250 1HB LEU 25 HB2 LEU 25 -5.873 -2.776 -2.776 251 2HB LEU 25 HB1 LEU 25 -6.229 -1.098 -1.098 252 HG LEU 25 HG LEU 25 -6.186 -2.099 -2.099 253 1HD1 LEU 25 HD11 LEU 25 -8.421 -0.972 -0.972 254 2HD1 LEU 25 HD13 LEU 25 -9.096 -2.588 -2.588 255 3HD1 LEU 25 HD12 LEU 25 -8.370 -1.975 -1.975 256 1HD2 LEU 25 HD22 LEU 25 -6.380 -4.467 -4.467 257 2HD2 LEU 25 HD21 LEU 25 -6.478 -4.313 -4.313 258 3HD2 LEU 25 HD23 LEU 25 -7.957 -4.411 -4.411 259 H LYS 26 HN LYS 26 -7.036 -0.182 -0.182 260 HA LYS 26 HA LYS 26 -6.790 -1.865 -1.865 261 1HB LYS 26 HB2 LYS 26 -8.157 0.428 0.428 262 2HB LYS 26 HB1 LYS 26 -6.565 1.111 1.111 263 1HG LYS 26 HG2 LYS 26 -6.479 0.244 0.244 264 2HG LYS 26 HG1 LYS 26 -7.470 -1.154 -1.154 265 1HD LYS 26 HD2 LYS 26 -9.447 -0.032 -0.032 266 2HD LYS 26 HD1 LYS 26 -8.772 1.521 1.521 267 1HE LYS 26 HE2 LYS 26 -8.965 1.848 1.848 268 2HE LYS 26 HE1 LYS 26 -7.318 1.228 1.228 269 1HZ LYS 26 HZ3 LYS 26 -8.293 -1.028 -1.028 270 2HZ LYS 26 HZ2 LYS 26 -9.773 -0.273 -0.273 271 3HZ LYS 26 HZ1 LYS 26 -8.411 0.015 0.015 272 H VAL 27 HN VAL 27 -4.687 -2.724 -2.724 273 HA VAL 27 HA VAL 27 -2.464 -1.332 -1.332 274 HB VAL 27 HB VAL 27 -2.437 -3.543 -3.543 275 1HG1 VAL 27 HG11 VAL 27 -0.336 -2.116 -2.116 276 2HG1 VAL 27 HG13 VAL 27 -0.200 -3.875 -3.875 277 3HG1 VAL 27 HG12 VAL 27 -0.214 -2.963 -2.963 278 1HG2 VAL 27 HG21 VAL 27 -3.676 -3.917 -3.917 279 2HG2 VAL 27 HG23 VAL 27 -2.405 -5.073 -5.073 280 3HG2 VAL 27 HG22 VAL 27 -2.091 -3.787 -3.787 281 H LEU 28 HN LEU 28 -1.870 0.617 0.617 282 HA LEU 28 HA LEU 28 -1.916 1.278 1.278 283 1HB LEU 28 HB2 LEU 28 -0.581 3.066 3.066 284 2HB LEU 28 HB1 LEU 28 -1.541 3.500 3.500 285 HG LEU 28 HG LEU 28 -3.260 2.112 2.112 286 1HD1 LEU 28 HD12 LEU 28 -1.557 4.274 4.274 287 2HD1 LEU 28 HD11 LEU 28 -3.098 3.754 3.754 288 3HD1 LEU 28 HD13 LEU 28 -1.760 2.613 2.613 289 1HD2 LEU 28 HD22 LEU 28 -3.313 4.352 4.352 290 2HD2 LEU 28 HD21 LEU 28 -4.641 3.785 3.785 291 3HD2 LEU 28 HD23 LEU 28 -3.545 5.024 5.024 292 H ASN 29 HN ASN 29 0.349 0.391 0.391 293 HA ASN 29 HA ASN 29 2.379 -0.431 -0.431 294 1HB ASN 29 HB2 ASN 29 2.239 2.369 2.369 295 2HB ASN 29 HB1 ASN 29 3.627 1.916 1.916 296 1HD2 ASN 29 HD22 ASN 29 4.998 0.107 0.107 297 2HD2 ASN 29 HD21 ASN 29 4.412 -0.434 -0.434 298 H GLU 30 HN GLU 30 4.710 0.274 0.274 299 HA GLU 30 HA GLU 30 5.930 -0.368 -0.368 300 1HB GLU 30 HB2 GLU 30 4.167 0.998 0.998 301 2HB GLU 30 HB1 GLU 30 3.295 -0.510 -0.510 302 1HG GLU 30 HG2 GLU 30 4.734 -1.166 -1.166 303 2HG GLU 30 HG1 GLU 30 6.149 -0.678 -0.678 304 H GLU 31 HN GLU 31 6.405 -2.366 -2.366 305 HA GLU 31 HA GLU 31 4.794 -4.737 -4.737 306 1HB GLU 31 HB2 GLU 31 7.748 -4.284 -4.284 307 2HB GLU 31 HB1 GLU 31 7.033 -5.895 -5.895 308 1HG GLU 31 HG2 GLU 31 5.319 -4.890 -4.890 309 2HG GLU 31 HG1 GLU 31 6.570 -3.675 -3.675 310 H CYS 32 HN CYS 32 6.220 -6.676 -6.676 311 HA CYS 32 HA CYS 32 5.636 -6.555 -6.555 312 1HB CYS 32 HB2 CYS 32 7.937 -8.064 -8.064 313 2HB CYS 32 HB1 CYS 32 7.251 -8.387 -8.387 314 HG CYS 32 HG CYS 32 5.071 -9.205 -9.205 315 H ASP 33 HN ASP 33 7.013 -6.299 -6.299 316 HA ASP 33 HA ASP 33 9.525 -4.978 -4.978 317 1HB ASP 33 HB2 ASP 33 7.426 -3.320 -3.320 318 2HB ASP 33 HB1 ASP 33 7.503 -3.510 -3.510 319 H GLN 34 HN GLN 34 6.904 -5.193 -5.193 320 HA GLN 34 HA GLN 34 8.505 -7.029 -7.029 321 1HB GLN 34 HB2 GLN 34 7.714 -4.272 -4.272 322 2HB GLN 34 HB1 GLN 34 7.480 -5.532 -5.532 323 1HG GLN 34 HG2 GLN 34 10.084 -5.281 -5.281 324 2HG GLN 34 HG1 GLN 34 9.771 -4.325 -4.325 325 1HE2 GLN 34 HE22 GLN 34 10.774 -7.010 -7.010 326 2HE2 GLN 34 HE21 GLN 34 10.800 -5.340 -5.340 327 H ASN 35 HN ASN 35 6.330 -7.398 -7.398 328 HA ASN 35 HA ASN 35 4.393 -8.645 -8.645 329 1HB ASN 35 HB2 ASN 35 4.779 -8.556 -8.556 330 2HB ASN 35 HB1 ASN 35 3.178 -8.913 -8.913 331 1HD2 ASN 35 HD22 ASN 35 4.216 -12.276 -12.276 332 2HD2 ASN 35 HD21 ASN 35 3.118 -11.190 -11.190 333 H TRP 36 HN TRP 36 4.569 -5.606 -5.606 334 HA TRP 36 HA TRP 36 1.601 -5.166 -5.166 335 1HB TRP 36 HB2 TRP 36 3.657 -2.954 -2.954 336 2HB TRP 36 HB1 TRP 36 1.911 -2.813 -2.813 337 HD1 TRP 36 HD1 TRP 36 4.603 -5.221 -5.221 338 HE1 TRP 36 HE1 TRP 36 4.337 -5.353 -5.353 339 HE3 TRP 36 HE3 TRP 36 0.620 -2.030 -2.030 340 HZ2 TRP 36 HZ2 TRP 36 2.743 -4.260 -4.260 341 HZ3 TRP 36 HZ3 TRP 36 -0.188 -1.582 -1.582 342 HH2 TRP 36 HH2 TRP 36 0.851 -2.699 -2.699 343 H TYR 37 HN TYR 37 0.941 -3.136 -3.136 344 HA TYR 37 HA TYR 37 2.441 -3.075 -3.075 345 1HB TYR 37 HB2 TYR 37 -0.549 -3.554 -3.554 346 2HB TYR 37 HB1 TYR 37 0.359 -3.353 -3.353 347 HD1 TYR 37 HD1 TYR 37 2.755 -5.058 -5.058 348 HD2 TYR 37 HD2 TYR 37 -1.412 -5.683 -5.683 349 HE1 TYR 37 HE1 TYR 37 3.095 -7.515 -7.515 350 HE2 TYR 37 HE2 TYR 37 -1.091 -8.127 -8.127 351 HH TYR 37 HH TYR 37 0.873 -9.649 -9.649 352 H LYS 38 HN LYS 38 1.478 -1.320 -1.320 353 HA LYS 38 HA LYS 38 0.369 0.895 0.895 354 1HB LYS 38 HB2 LYS 38 2.522 1.454 1.454 355 2HB LYS 38 HB1 LYS 38 1.816 1.051 1.051 356 1HG LYS 38 HG2 LYS 38 -0.025 2.810 2.810 357 2HG LYS 38 HG1 LYS 38 1.541 3.476 3.476 358 1HD LYS 38 HD2 LYS 38 1.818 2.689 2.689 359 2HD LYS 38 HD1 LYS 38 0.245 3.477 3.477 360 1HE LYS 38 HE2 LYS 38 1.539 5.273 5.273 361 2HE LYS 38 HE1 LYS 38 2.959 4.601 4.601 362 1HZ LYS 38 HZ2 LYS 38 0.547 5.436 5.436 363 2HZ LYS 38 HZ1 LYS 38 1.805 6.521 6.521 364 3HZ LYS 38 HZ3 LYS 38 2.112 5.152 5.152 365 H ALA 39 HN ALA 39 -1.754 1.364 1.364 366 HA ALA 39 HA ALA 39 -2.900 0.838 0.838 367 1HB ALA 39 HB3 ALA 39 -2.967 -1.332 -1.332 368 2HB ALA 39 HB2 ALA 39 -3.877 -0.594 -0.594 369 3HB ALA 39 HB1 ALA 39 -4.585 -0.694 -0.694 370 H GLU 40 HN GLU 40 -5.465 1.021 1.021 371 HA GLU 40 HA GLU 40 -5.949 3.327 3.327 372 1HB GLU 40 HB2 GLU 40 -5.643 4.855 4.855 373 2HB GLU 40 HB1 GLU 40 -4.991 3.580 3.580 374 1HG GLU 40 HG2 GLU 40 -7.203 3.218 3.218 375 2HG GLU 40 HG1 GLU 40 -7.938 4.365 4.365 376 H LEU 41 HN LEU 41 -7.898 3.537 3.537 377 HA LEU 41 HA LEU 41 -10.012 1.754 1.754 378 1HB LEU 41 HB2 LEU 41 -9.488 2.939 2.939 379 2HB LEU 41 HB1 LEU 41 -11.177 2.677 2.677 380 HG LEU 41 HG LEU 41 -9.144 0.556 0.556 381 1HD1 LEU 41 HD11 LEU 41 -10.312 1.484 1.484 382 2HD1 LEU 41 HD13 LEU 41 -10.281 -0.259 -0.259 383 3HD1 LEU 41 HD12 LEU 41 -8.779 0.664 0.664 384 1HD2 LEU 41 HD22 LEU 41 -11.487 0.564 0.564 385 2HD2 LEU 41 HD21 LEU 41 -11.075 -0.862 -0.862 386 3HD2 LEU 41 HD23 LEU 41 -12.084 0.411 0.411 387 H ASN 42 HN ASN 42 -10.761 2.724 2.724 388 HA ASN 42 HA ASN 42 -11.877 4.326 4.326 389 1HB ASN 42 HB2 ASN 42 -13.275 3.916 3.916 390 2HB ASN 42 HB1 ASN 42 -13.862 5.219 5.219 391 1HD2 ASN 42 HD22 ASN 42 -15.783 2.639 2.639 392 2HD2 ASN 42 HD21 ASN 42 -15.842 3.974 3.974 393 H GLY 43 HN GLY 43 -9.684 5.619 5.619 394 1HA GLY 43 HA2 GLY 43 -9.659 8.211 8.211 395 2HA GLY 43 HA1 GLY 43 -10.829 8.276 8.276 396 H LYS 44 HN LYS 44 -9.552 6.345 6.345 397 HA LYS 44 HA LYS 44 -7.389 7.980 7.980 398 1HB LYS 44 HB2 LYS 44 -9.079 5.760 5.760 399 2HB LYS 44 HB1 LYS 44 -7.465 6.008 6.008 400 1HG LYS 44 HG2 LYS 44 -7.935 8.181 8.181 401 2HG LYS 44 HG1 LYS 44 -9.353 8.313 8.313 402 1HD LYS 44 HD2 LYS 44 -9.125 6.421 6.421 403 2HD LYS 44 HD1 LYS 44 -9.967 7.971 7.971 404 1HE LYS 44 HE2 LYS 44 -11.097 6.844 6.844 405 2HE LYS 44 HE1 LYS 44 -10.787 5.408 5.408 406 1HZ LYS 44 HZ1 LYS 44 -11.826 6.792 6.792 407 2HZ LYS 44 HZ3 LYS 44 -12.461 7.750 7.750 408 3HZ LYS 44 HZ2 LYS 44 -12.855 6.099 6.099 409 H ASP 45 HN ASP 45 -5.532 6.621 6.621 410 HA ASP 45 HA ASP 45 -4.880 4.268 4.268 411 1HB ASP 45 HB2 ASP 45 -3.681 5.022 5.022 412 2HB ASP 45 HB1 ASP 45 -4.768 6.380 6.380 413 H GLY 46 HN GLY 46 -2.309 3.978 3.978 414 1HA GLY 46 HA2 GLY 46 -0.341 4.779 4.779 415 2HA GLY 46 HA1 GLY 46 -1.447 4.746 4.746 416 H PHE 47 HN PHE 47 0.466 3.272 3.272 417 HA PHE 47 HA PHE 47 0.890 0.709 0.709 418 1HB PHE 47 HB2 PHE 47 1.269 1.806 1.806 419 2HB PHE 47 HB1 PHE 47 1.656 0.130 0.130 420 HD1 PHE 47 HD2 PHE 47 2.388 3.661 3.661 421 HD2 PHE 47 HD1 PHE 47 3.647 -0.438 -0.438 422 HE1 PHE 47 HE2 PHE 47 4.556 4.380 4.380 423 HE2 PHE 47 HE1 PHE 47 5.817 0.282 0.282 424 HZ PHE 47 HZ PHE 47 6.271 2.690 2.690 425 H ILE 48 HN ILE 48 0.194 -1.415 -1.415 426 HA ILE 48 HA ILE 48 -2.197 -1.502 -1.502 427 HB ILE 48 HB ILE 48 -3.308 -3.036 -3.036 428 1HG1 ILE 48 HG12 ILE 48 -1.680 -1.350 -1.350 429 2HG1 ILE 48 HG11 ILE 48 -1.153 -2.964 -2.964 430 1HG2 ILE 48 HG22 ILE 48 -3.996 -0.688 -0.688 431 2HG2 ILE 48 HG21 ILE 48 -3.125 -0.104 -0.104 432 3HG2 ILE 48 HG23 ILE 48 -4.506 -1.182 -1.182 433 1HD1 ILE 48 HD12 ILE 48 -3.904 -2.392 -2.392 434 2HD1 ILE 48 HD11 ILE 48 -2.535 -2.871 -2.871 435 3HD1 ILE 48 HD13 ILE 48 -3.147 -3.967 -3.967 436 HA PRO 49 HA PRO 49 0.519 -4.948 -4.948 437 1HB PRO 49 HB2 PRO 49 -0.961 -5.931 -5.931 438 2HB PRO 49 HB1 PRO 49 0.259 -4.650 -4.650 439 1HG PRO 49 HG2 PRO 49 -2.742 -4.418 -4.418 440 2HG PRO 49 HG1 PRO 49 -1.556 -3.380 -3.380 441 1HD PRO 49 HD2 PRO 49 -2.787 -2.701 -2.701 442 2HD PRO 49 HD1 PRO 49 -1.270 -2.037 -2.037 443 H LYS 50 HN LYS 50 0.369 -6.430 -6.430 444 HA LYS 50 HA LYS 50 -1.760 -7.610 -7.610 445 1HB LYS 50 HB2 LYS 50 0.650 -7.731 -7.731 446 2HB LYS 50 HB1 LYS 50 0.865 -8.900 -8.900 447 1HG LYS 50 HG2 LYS 50 -0.910 -10.304 -10.304 448 2HG LYS 50 HG1 LYS 50 -0.728 -9.215 -9.215 449 1HD LYS 50 HD2 LYS 50 1.712 -9.646 -9.646 450 2HD LYS 50 HD1 LYS 50 1.495 -10.771 -10.771 451 1HE LYS 50 HE2 LYS 50 -0.296 -11.341 -11.341 452 2HE LYS 50 HE1 LYS 50 1.412 -11.460 -11.460 453 1HZ LYS 50 HZ3 LYS 50 0.456 -12.687 -12.687 454 2HZ LYS 50 HZ2 LYS 50 0.185 -13.487 -13.487 455 3HZ LYS 50 HZ1 LYS 50 1.769 -13.125 -13.125 456 H ASN 51 HN ASN 51 -0.771 -8.360 -8.360 457 HA ASN 51 HA ASN 51 -1.659 -10.975 -10.975 458 1HB ASN 51 HB2 ASN 51 -1.089 -8.829 -8.829 459 2HB ASN 51 HB1 ASN 51 -2.023 -10.151 -10.151 460 1HD2 ASN 51 HD22 ASN 51 1.940 -10.620 -10.620 461 2HD2 ASN 51 HD21 ASN 51 1.165 -9.127 -9.127 462 H TYR 52 HN TYR 52 -3.321 -7.971 -7.971 463 HA TYR 52 HA TYR 52 -5.919 -9.255 -9.255 464 1HB TYR 52 HB2 TYR 52 -5.154 -6.333 -6.333 465 2HB TYR 52 HB1 TYR 52 -6.756 -6.896 -6.896 466 HD1 TYR 52 HD2 TYR 52 -3.251 -7.444 -7.444 467 HD2 TYR 52 HD1 TYR 52 -7.336 -6.579 -6.579 468 HE1 TYR 52 HE2 TYR 52 -2.690 -7.226 -7.226 469 HE2 TYR 52 HE1 TYR 52 -6.772 -6.338 -6.338 470 HH TYR 52 HH TYR 52 -3.545 -6.140 -6.140 471 H ILE 53 HN ILE 53 -4.377 -9.631 -9.631 472 HA ILE 53 HA ILE 53 -6.434 -8.832 -8.832 473 HB ILE 53 HB ILE 53 -3.841 -8.031 -8.031 474 1HG1 ILE 53 HG12 ILE 53 -5.231 -6.207 -6.207 475 2HG1 ILE 53 HG11 ILE 53 -3.790 -7.143 -7.143 476 1HG2 ILE 53 HG21 ILE 53 -6.664 -7.180 -7.180 477 2HG2 ILE 53 HG23 ILE 53 -5.426 -5.994 -5.994 478 3HG2 ILE 53 HG22 ILE 53 -5.503 -7.491 -7.491 479 1HD1 ILE 53 HD13 ILE 53 -2.824 -6.086 -6.086 480 2HD1 ILE 53 HD12 ILE 53 -4.112 -4.899 -4.899 481 3HD1 ILE 53 HD11 ILE 53 -2.888 -5.109 -5.109 482 H GLU 54 HN GLU 54 -5.788 -9.397 -9.397 483 HA GLU 54 HA GLU 54 -3.910 -11.499 -11.499 484 1HB GLU 54 HB2 GLU 54 -6.741 -12.022 -12.022 485 2HB GLU 54 HB1 GLU 54 -6.100 -12.547 -12.547 486 1HG GLU 54 HG2 GLU 54 -4.693 -13.239 -13.239 487 2HG GLU 54 HG1 GLU 54 -6.019 -14.233 -14.233 488 H MET 55 HN MET 55 -3.528 -11.781 -11.781 489 HA MET 55 HA MET 55 -4.104 -9.254 -9.254 490 1HB MET 55 HB2 MET 55 -1.784 -10.363 -10.363 491 2HB MET 55 HB1 MET 55 -2.322 -11.439 -11.439 492 1HG MET 55 HG2 MET 55 -2.939 -9.323 -9.323 493 2HG MET 55 HG1 MET 55 -2.012 -8.435 -8.435 494 1HE MET 55 HE3 MET 55 -2.432 -10.508 -10.508 495 2HE MET 55 HE2 MET 55 -0.974 -10.237 -10.237 496 3HE MET 55 HE1 MET 55 -1.132 -11.708 -11.708 497 H LYS 56 HN LYS 56 -5.893 -9.196 -9.196 498 HA LYS 56 HA LYS 56 -6.601 -11.571 -11.571 499 1HB LYS 56 HB2 LYS 56 -8.088 -9.298 -9.298 500 2HB LYS 56 HB1 LYS 56 -8.653 -9.987 -9.987 501 1HG LYS 56 HG2 LYS 56 -8.352 -12.274 -12.274 502 2HG LYS 56 HG1 LYS 56 -8.322 -11.333 -11.333 503 1HD LYS 56 HD2 LYS 56 -10.571 -11.403 -11.403 504 2HD LYS 56 HD1 LYS 56 -10.611 -12.118 -12.118 505 1HE LYS 56 HE2 LYS 56 -11.439 -10.169 -10.169 506 2HE LYS 56 HE1 LYS 56 -9.890 -9.415 -9.415 507 1HZ LYS 56 HZ1 LYS 56 -11.903 -9.826 -9.826 508 2HZ LYS 56 HZ3 LYS 56 -12.026 -8.496 -8.496 509 3HZ LYS 56 HZ2 LYS 56 -10.647 -8.687 -8.687 510 HA PRO 57 HA PRO 57 -5.296 -9.776 -9.776 511 1HB PRO 57 HB2 PRO 57 -6.788 -11.127 -11.127 512 2HB PRO 57 HB1 PRO 57 -5.397 -11.797 -11.797 513 1HG PRO 57 HG2 PRO 57 -8.278 -12.277 -12.277 514 2HG PRO 57 HG1 PRO 57 -6.904 -13.321 -13.321 515 1HD PRO 57 HD2 PRO 57 -8.278 -11.811 -11.811 516 2HD PRO 57 HD1 PRO 57 -6.695 -12.586 -12.586 517 H HIS 58 HN HIS 58 -8.336 -10.138 -10.138 518 HA HIS 58 HA HIS 58 -8.785 -7.209 -7.209 519 1HB HIS 58 HB2 HIS 58 -9.504 -8.814 -8.814 520 2HB HIS 58 HB1 HIS 58 -9.434 -7.062 -7.062 521 HD1 HIS 58 HD1 HIS 58 -7.675 -9.149 -9.149 522 HD2 HIS 58 HD2 HIS 58 -6.384 -6.903 -6.903 523 HE1 HIS 58 HE1 HIS 58 -5.166 -8.897 -8.897 524 HA PRO 59 HA PRO 59 -13.031 -9.491 -9.491 525 1HB PRO 59 HB2 PRO 59 -13.238 -10.599 -10.599 526 2HB PRO 59 HB1 PRO 59 -12.767 -11.516 -11.516 527 1HG PRO 59 HG2 PRO 59 -11.049 -10.533 -10.533 528 2HG PRO 59 HG1 PRO 59 -10.828 -11.944 -11.944 529 1HD PRO 59 HD2 PRO 59 -9.454 -9.505 -9.505 530 2HD PRO 59 HD1 PRO 59 -9.594 -10.768 -10.768 531 H GLU 60 HN GLU 60 -13.975 -7.462 -7.462 532 HA GLU 60 HA GLU 60 -13.416 -5.606 -5.606 533 1HB GLU 60 HB2 GLU 60 -15.463 -5.841 -5.841 534 2HB GLU 60 HB1 GLU 60 -15.812 -4.741 -4.741 535 1HG GLU 60 HG2 GLU 60 -13.230 -4.069 -4.069 536 2HG GLU 60 HG1 GLU 60 -13.742 -4.548 -4.548 537 H PHE 61 HN PHE 61 -16.661 -7.001 -7.001 538 HA PHE 61 HA PHE 61 -16.772 -7.948 -7.948 539 1HB PHE 61 HB2 PHE 61 -18.177 -5.522 -5.522 540 2HB PHE 61 HB1 PHE 61 -19.111 -6.609 -6.609 541 HD1 PHE 61 HD2 PHE 61 -17.654 -7.543 -7.543 542 HD2 PHE 61 HD1 PHE 61 -17.033 -3.814 -3.814 543 HE1 PHE 61 HE2 PHE 61 -16.510 -6.637 -6.637 544 HE2 PHE 61 HE1 PHE 61 -15.889 -2.908 -2.908 545 HZ PHE 61 HZ PHE 61 -15.627 -4.319 -4.319 546 H ILE 62 HN ILE 62 -19.238 -7.092 -7.092 547 HA ILE 62 HA ILE 62 -19.797 -9.986 -9.986 548 HB ILE 62 HB ILE 62 -21.302 -9.214 -9.214 549 1HG1 ILE 62 HG12 ILE 62 -23.519 -9.514 -9.514 550 2HG1 ILE 62 HG11 ILE 62 -22.298 -10.088 -10.088 551 1HG2 ILE 62 HG22 ILE 62 -21.297 -6.799 -6.799 552 2HG2 ILE 62 HG21 ILE 62 -22.601 -7.360 -7.360 553 3HG2 ILE 62 HG23 ILE 62 -22.796 -7.406 -7.406 554 1HD1 ILE 62 HD13 ILE 62 -21.410 -11.531 -11.531 555 2HD1 ILE 62 HD12 ILE 62 -22.916 -11.147 -11.147 556 3HD1 ILE 62 HD11 ILE 62 -22.955 -12.017 -12.017 557 H VAL 63 HN VAL 63 -20.500 -10.455 -10.455 558 HA VAL 63 HA VAL 63 -20.415 -8.216 -8.216 559 HB VAL 63 HB VAL 63 -20.431 -10.062 -10.062 560 1HG1 VAL 63 HG13 VAL 63 -18.392 -9.860 -9.860 561 2HG1 VAL 63 HG12 VAL 63 -18.191 -11.096 -11.096 562 3HG1 VAL 63 HG11 VAL 63 -18.259 -9.393 -9.393 563 1HG2 VAL 63 HG22 VAL 63 -21.613 -11.581 -11.581 564 2HG2 VAL 63 HG21 VAL 63 -20.622 -12.289 -12.289 565 3HG2 VAL 63 HG23 VAL 63 -19.939 -12.032 -12.032 566 H THR 64 HN THR 64 -22.105 -8.163 -8.163 567 HA THR 64 HA THR 64 -24.777 -8.534 -8.534 568 HB THR 64 HB THR 64 -24.400 -7.441 -7.441 569 HG1 THR 64 HG1 THR 64 -23.890 -5.410 -5.410 570 1HG2 THR 64 HG22 THR 64 -26.150 -6.876 -6.876 571 2HG2 THR 64 HG21 THR 64 -26.091 -5.796 -5.796 572 3HG2 THR 64 HG23 THR 64 -26.637 -7.461 -7.461 573 H ASP 65 HN ASP 65 -23.053 -9.481 -9.481 574 HA ASP 65 HA ASP 65 -24.605 -11.990 -11.990 575 1HB ASP 65 HB2 ASP 65 -25.712 -9.971 -9.971 576 2HB ASP 65 HB1 ASP 65 -24.538 -10.491 -10.491 577 1H SER 1 HT2 SER 1 -10.277 -16.129 -16.129 578 2H SER 1 HT1 SER 1 -9.524 -17.154 -17.154 579 3H SER 1 HT3 SER 1 -10.081 -17.779 -17.779 580 HA SER 1 HA SER 1 -8.439 -16.626 -16.626 581 1HB SER 1 HB2 SER 1 -7.551 -18.119 -18.119 582 2HB SER 1 HB1 SER 1 -6.332 -17.372 -17.372 583 HG SER 1 HG SER 1 -7.053 -18.590 -18.590 584 HA PRO 2 HA PRO 2 -7.096 -12.715 -12.715 585 1HB PRO 2 HB2 PRO 2 -4.775 -12.349 -12.349 586 2HB PRO 2 HB1 PRO 2 -6.391 -12.191 -12.191 587 1HG PRO 2 HG2 PRO 2 -4.410 -14.406 -14.406 588 2HG PRO 2 HG1 PRO 2 -5.692 -13.882 -13.882 589 1HD PRO 2 HD2 PRO 2 -5.805 -16.127 -16.127 590 2HD PRO 2 HD1 PRO 2 -7.181 -15.400 -15.400 591 H LEU 3 HN LEU 3 -6.534 -13.137 -13.137 592 HA LEU 3 HA LEU 3 -3.691 -13.068 -13.068 593 1HB LEU 3 HB2 LEU 3 -4.441 -15.578 -15.578 594 2HB LEU 3 HB1 LEU 3 -5.115 -15.425 -15.425 595 HG LEU 3 HG LEU 3 -2.824 -16.334 -16.334 596 1HD1 LEU 3 HD13 LEU 3 -3.714 -14.748 -14.748 597 2HD1 LEU 3 HD12 LEU 3 -2.781 -13.475 -13.475 598 3HD1 LEU 3 HD11 LEU 3 -1.957 -14.870 -14.870 599 1HD2 LEU 3 HD22 LEU 3 -2.257 -14.827 -14.827 600 2HD2 LEU 3 HD21 LEU 3 -1.002 -15.375 -15.375 601 3HD2 LEU 3 HD23 LEU 3 -1.650 -13.740 -13.740 602 H LEU 4 HN LEU 4 -4.385 -11.145 -11.145 603 HA LEU 4 HA LEU 4 -4.920 -11.364 -11.364 604 1HB LEU 4 HB2 LEU 4 -7.275 -11.896 -11.896 605 2HB LEU 4 HB1 LEU 4 -7.403 -10.159 -10.159 606 HG LEU 4 HG LEU 4 -8.392 -11.368 -11.368 607 1HD1 LEU 4 HD12 LEU 4 -6.652 -9.252 -9.252 608 2HD1 LEU 4 HD11 LEU 4 -5.942 -10.366 -10.366 609 3HD1 LEU 4 HD13 LEU 4 -7.617 -9.841 -9.841 610 1HD2 LEU 4 HD21 LEU 4 -6.745 -13.349 -13.349 611 2HD2 LEU 4 HD23 LEU 4 -7.198 -12.905 -12.905 612 3HD2 LEU 4 HD22 LEU 4 -5.638 -12.403 -12.403 613 HA PRO 5 HA PRO 5 -5.174 -6.796 -6.796 614 1HB PRO 5 HB2 PRO 5 -5.641 -6.081 -6.081 615 2HB PRO 5 HB1 PRO 5 -6.936 -6.396 -6.396 616 1HG PRO 5 HG2 PRO 5 -6.058 -8.065 -8.065 617 2HG PRO 5 HG1 PRO 5 -7.608 -8.069 -8.069 618 1HD PRO 5 HD2 PRO 5 -5.443 -9.924 -9.924 619 2HD PRO 5 HD1 PRO 5 -6.950 -9.866 -9.866 620 H LYS 6 HN LYS 6 -2.818 -8.337 -8.337 621 HA LYS 6 HA LYS 6 -1.116 -6.592 -6.592 622 1HB LYS 6 HB2 LYS 6 -1.929 -8.898 -8.898 623 2HB LYS 6 HB1 LYS 6 -0.500 -9.480 -9.480 624 1HG LYS 6 HG2 LYS 6 0.733 -8.654 -8.654 625 2HG LYS 6 HG1 LYS 6 0.324 -7.044 -7.044 626 1HD LYS 6 HD2 LYS 6 -1.920 -7.535 -7.535 627 2HD LYS 6 HD1 LYS 6 -0.822 -8.572 -8.572 628 1HE LYS 6 HE2 LYS 6 0.293 -6.805 -6.805 629 2HE LYS 6 HE1 LYS 6 0.269 -5.900 -5.900 630 1HZ LYS 6 HZ1 LYS 6 -2.143 -5.499 -5.499 631 2HZ LYS 6 HZ3 LYS 6 -1.910 -6.146 -6.146 632 3HZ LYS 6 HZ2 LYS 6 -1.081 -4.736 -4.736 633 H LEU 7 HN LEU 7 0.491 -5.991 -5.991 634 HA LEU 7 HA LEU 7 1.475 -7.983 -7.983 635 1HB LEU 7 HB2 LEU 7 1.036 -5.010 -5.010 636 2HB LEU 7 HB1 LEU 7 2.164 -5.844 -5.844 637 HG LEU 7 HG LEU 7 -0.697 -6.753 -6.753 638 1HD1 LEU 7 HD12 LEU 7 -0.423 -4.376 -4.376 639 2HD1 LEU 7 HD11 LEU 7 0.331 -5.144 -5.144 640 3HD1 LEU 7 HD13 LEU 7 -1.341 -5.520 -5.520 641 1HD2 LEU 7 HD21 LEU 7 1.413 -8.097 -8.097 642 2HD2 LEU 7 HD23 LEU 7 -0.243 -8.309 -8.309 643 3HD2 LEU 7 HD22 LEU 7 0.857 -7.236 -7.236 644 HA PRO 8 HA PRO 8 4.993 -6.912 -6.912 645 1HB PRO 8 HB2 PRO 8 5.935 -9.481 -9.481 646 2HB PRO 8 HB1 PRO 8 4.692 -8.786 -8.786 647 1HG PRO 8 HG2 PRO 8 4.379 -10.779 -10.779 648 2HG PRO 8 HG1 PRO 8 3.364 -10.519 -10.519 649 1HD PRO 8 HD2 PRO 8 2.792 -9.628 -9.628 650 2HD PRO 8 HD1 PRO 8 1.953 -9.126 -9.126 651 HA PRO 9 HA PRO 9 7.896 -7.085 -7.085 652 1HB PRO 9 HB2 PRO 9 10.197 -6.424 -6.424 653 2HB PRO 9 HB1 PRO 9 8.944 -5.245 -5.245 654 1HG PRO 9 HG2 PRO 9 9.575 -6.415 -6.415 655 2HG PRO 9 HG1 PRO 9 8.799 -4.871 -4.871 656 1HD PRO 9 HD2 PRO 9 7.479 -7.241 -7.241 657 2HD PRO 9 HD1 PRO 9 6.705 -5.785 -5.785 658 H LYS 10 HN LYS 10 9.323 -8.426 -8.426 659 HA LYS 10 HA LYS 10 9.705 -11.050 -11.050 660 1HB LYS 10 HB2 LYS 10 11.870 -9.061 -9.061 661 2HB LYS 10 HB1 LYS 10 12.308 -10.585 -10.585 662 1HG LYS 10 HG2 LYS 10 10.916 -10.685 -10.685 663 2HG LYS 10 HG1 LYS 10 12.625 -10.246 -10.246 664 1HD LYS 10 HD2 LYS 10 13.120 -12.303 -12.303 665 2HD LYS 10 HD1 LYS 10 11.415 -12.750 -12.750 666 1HE LYS 10 HE2 LYS 10 11.868 -12.335 -12.335 667 2HE LYS 10 HE1 LYS 10 13.491 -12.819 -12.819 668 1HZ LYS 10 HZ2 LYS 10 11.080 -14.360 -14.360 669 2HZ LYS 10 HZ1 LYS 10 11.924 -14.656 -14.656 670 3HZ LYS 10 HZ3 LYS 10 12.705 -14.856 -14.856 671 H THR 11 HN THR 11 11.304 -12.316 -12.316 672 HA THR 11 HA THR 11 10.232 -11.641 -11.641 673 HB THR 11 HB THR 11 9.223 -13.697 -13.697 674 HG1 THR 11 HG1 THR 11 9.665 -13.812 -13.812 675 1HG2 THR 11 HG22 THR 11 12.075 -14.341 -14.341 676 2HG2 THR 11 HG21 THR 11 10.952 -15.655 -15.655 677 3HG2 THR 11 HG23 THR 11 10.626 -14.550 -14.550 678 H TYR 12 HN TYR 12 13.087 -12.050 -12.050 679 HA TYR 12 HA TYR 12 14.892 -13.093 -13.093 680 1HB TYR 12 HB2 TYR 12 15.370 -12.743 -12.743 681 2HB TYR 12 HB1 TYR 12 15.542 -11.023 -11.023 682 HD1 TYR 12 HD1 TYR 12 16.928 -14.392 -14.392 683 HD2 TYR 12 HD2 TYR 12 17.483 -10.153 -10.153 684 HE1 TYR 12 HE1 TYR 12 19.266 -14.771 -14.771 685 HE2 TYR 12 HE2 TYR 12 19.820 -10.533 -10.533 686 HH TYR 12 HH TYR 12 21.575 -12.405 -12.405 687 H LYS 13 HN LYS 13 13.798 -9.775 -9.775 688 HA LYS 13 HA LYS 13 13.901 -7.837 -7.837 689 1HB LYS 13 HB2 LYS 13 14.683 -9.702 -9.702 690 2HB LYS 13 HB1 LYS 13 13.998 -8.085 -8.085 691 1HG LYS 13 HG2 LYS 13 11.886 -8.778 -8.778 692 2HG LYS 13 HG1 LYS 13 12.536 -10.277 -10.277 693 1HD LYS 13 HD2 LYS 13 11.420 -10.913 -10.913 694 2HD LYS 13 HD1 LYS 13 13.138 -10.912 -10.912 695 1HE LYS 13 HE2 LYS 13 12.690 -9.472 -9.472 696 2HE LYS 13 HE1 LYS 13 12.240 -8.268 -8.268 697 1HZ LYS 13 HZ1 LYS 13 10.397 -10.338 -10.338 698 2HZ LYS 13 HZ3 LYS 13 10.474 -8.748 -8.748 699 3HZ LYS 13 HZ2 LYS 13 9.998 -9.043 -9.043 700 H ARG 14 HN ARG 14 15.521 -6.389 -6.389 701 HA ARG 14 HA ARG 14 18.324 -7.332 -7.332 702 1HB ARG 14 HB2 ARG 14 17.052 -5.452 -5.452 703 2HB ARG 14 HB1 ARG 14 18.607 -4.934 -4.934 704 1HG ARG 14 HG2 ARG 14 19.288 -7.446 -7.446 705 2HG ARG 14 HG1 ARG 14 17.966 -7.307 -7.307 706 1HD ARG 14 HD2 ARG 14 19.674 -4.945 -4.945 707 2HD ARG 14 HD1 ARG 14 20.595 -6.418 -6.418 708 HE ARG 14 HE ARG 14 19.516 -6.545 -6.545 709 1HH1 ARG 14 HH21 ARG 14 16.883 -7.086 -7.086 710 2HH1 ARG 14 HH22 ARG 14 16.010 -5.607 -5.607 711 1HH2 ARG 14 HH11 ARG 14 18.737 -3.584 -3.584 712 2HH2 ARG 14 HH12 ARG 14 17.060 -3.625 -3.625 713 H GLU 15 HN GLU 15 19.648 -4.998 -4.998 714 HA GLU 15 HA GLU 15 19.048 -4.392 -4.392 715 1HB GLU 15 HB2 GLU 15 20.714 -2.548 -2.548 716 2HB GLU 15 HB1 GLU 15 21.304 -4.099 -4.099 717 1HG GLU 15 HG2 GLU 15 21.244 -3.435 -3.435 718 2HG GLU 15 HG1 GLU 15 19.859 -2.372 -2.372 Start of MODEL 21 1 1H GLY -8 HT3 GLY -8 10.914 -12.232 -12.232 2 2H GLY -8 HT2 GLY -8 11.187 -13.638 -13.638 3 3H GLY -8 HT1 GLY -8 9.614 -13.013 -13.013 4 1HA GLY -8 HA1 GLY -8 10.292 -12.138 -12.138 5 2HA GLY -8 HA2 GLY -8 12.008 -12.061 -12.061 6 H SER -7 HN SER -7 8.689 -11.131 -11.131 7 HA SER -7 HA SER -7 8.914 -8.422 -8.422 8 1HB SER -7 HB2 SER -7 7.614 -8.949 -8.949 9 2HB SER -7 HB1 SER -7 8.092 -7.400 -7.400 10 HG SER -7 HG SER -7 9.861 -7.745 -7.745 11 H ARG -6 HN ARG -6 7.486 -10.841 -10.841 12 HA ARG -6 HA ARG -6 4.652 -9.938 -9.938 13 1HB ARG -6 HB2 ARG -6 5.756 -12.593 -12.593 14 2HB ARG -6 HB1 ARG -6 4.047 -12.195 -12.195 15 1HG ARG -6 HG2 ARG -6 4.586 -11.657 -11.657 16 2HG ARG -6 HG1 ARG -6 6.113 -12.497 -12.497 17 1HD ARG -6 HD2 ARG -6 4.473 -14.338 -14.338 18 2HD ARG -6 HD1 ARG -6 3.336 -13.588 -13.588 19 HE ARG -6 HE ARG -6 5.978 -14.429 -14.429 20 1HH1 ARG -6 HH11 ARG -6 4.848 -14.259 -14.259 21 2HH1 ARG -6 HH12 ARG -6 3.719 -15.553 -15.553 22 1HH2 ARG -6 HH21 ARG -6 3.537 -16.358 -16.358 23 2HH2 ARG -6 HH22 ARG -6 2.978 -16.742 -16.742 24 H ARG -5 HN ARG -5 4.874 -8.238 -8.238 25 HA ARG -5 HA ARG -5 5.060 -9.268 -9.268 26 1HB ARG -5 HB2 ARG -5 6.960 -7.687 -7.687 27 2HB ARG -5 HB1 ARG -5 5.787 -6.431 -6.431 28 1HG ARG -5 HG2 ARG -5 5.928 -6.819 -6.819 29 2HG ARG -5 HG1 ARG -5 6.336 -8.522 -8.522 30 1HD ARG -5 HD2 ARG -5 8.307 -6.551 -6.551 31 2HD ARG -5 HD1 ARG -5 8.162 -6.675 -6.675 32 HE ARG -5 HE ARG -5 9.183 -8.764 -8.764 33 1HH1 ARG -5 HH11 ARG -5 8.211 -10.817 -10.817 34 2HH1 ARG -5 HH12 ARG -5 8.768 -10.894 -10.894 35 1HH2 ARG -5 HH21 ARG -5 9.792 -7.582 -7.582 36 2HH2 ARG -5 HH22 ARG -5 9.663 -9.062 -9.062 37 H ALA -4 HN ALA -4 3.100 -9.072 -9.072 38 HA ALA -4 HA ALA -4 1.157 -7.089 -7.089 39 1HB ALA -4 HB3 ALA -4 0.878 -9.316 -9.316 40 2HB ALA -4 HB2 ALA -4 -0.441 -8.268 -8.268 41 3HB ALA -4 HB1 ALA -4 0.329 -9.358 -9.358 42 H SER -3 HN SER -3 1.968 -5.118 -5.118 43 HA SER -3 HA SER -3 1.398 -4.675 -4.675 44 1HB SER -3 HB2 SER -3 3.785 -3.470 -3.470 45 2HB SER -3 HB1 SER -3 3.599 -5.164 -5.164 46 HG SER -3 HG SER -3 5.270 -4.752 -4.752 47 H VAL -2 HN VAL -2 0.094 -3.672 -3.672 48 HA VAL -2 HA VAL -2 0.964 -0.805 -0.805 49 HB VAL -2 HB VAL -2 -0.631 -2.246 -2.246 50 1HG1 VAL -2 HG12 VAL -2 -0.852 0.302 0.302 51 2HG1 VAL -2 HG11 VAL -2 0.813 0.399 0.399 52 3HG1 VAL -2 HG13 VAL -2 -0.445 -0.242 -0.242 53 1HG2 VAL -2 HG22 VAL -2 1.722 -3.063 -3.063 54 2HG2 VAL -2 HG21 VAL -2 1.431 -2.194 -2.194 55 3HG2 VAL -2 HG23 VAL -2 2.285 -1.403 -1.403 56 H GLY -1 HN GLY -1 -0.328 -0.470 -0.470 57 1HA GLY -1 HA2 GLY -1 -2.643 0.824 0.824 58 2HA GLY -1 HA1 GLY -1 -3.265 -0.805 -0.805 59 H SER 0 HN SER 0 -3.705 -2.004 -2.004 60 HA SER 0 HA SER 0 -2.126 -2.020 -2.020 61 1HB SER 0 HB2 SER 0 -4.178 -0.980 -0.980 62 2HB SER 0 HB1 SER 0 -2.857 0.026 0.026 63 HG SER 0 HG SER 0 -4.825 0.916 0.916 64 H MET 1 HN MET 1 -3.023 -3.444 -3.444 65 HA MET 1 HA MET 1 -5.235 -5.150 -5.150 66 1HB MET 1 HB2 MET 1 -2.712 -5.744 -5.744 67 2HB MET 1 HB1 MET 1 -4.121 -6.750 -6.750 68 1HG MET 1 HG2 MET 1 -2.875 -7.778 -7.778 69 2HG MET 1 HG1 MET 1 -4.380 -7.131 -7.131 70 1HE MET 1 HE2 MET 1 -0.940 -6.601 -6.601 71 2HE MET 1 HE1 MET 1 -0.099 -5.999 -5.999 72 3HE MET 1 HE3 MET 1 -0.815 -4.865 -4.865 73 H GLU 2 HN GLU 2 -5.982 -6.466 -6.466 74 HA GLU 2 HA GLU 2 -6.657 -4.299 -4.299 75 1HB GLU 2 HB2 GLU 2 -8.397 -5.708 -5.708 76 2HB GLU 2 HB1 GLU 2 -8.675 -6.346 -6.346 77 1HG GLU 2 HG2 GLU 2 -9.399 -4.299 -4.299 78 2HG GLU 2 HG1 GLU 2 -8.502 -3.379 -3.379 79 H ALA 3 HN ALA 3 -7.507 -5.444 -5.444 80 HA ALA 3 HA ALA 3 -6.404 -8.107 -8.107 81 1HB ALA 3 HB3 ALA 3 -5.209 -5.628 -5.628 82 2HB ALA 3 HB2 ALA 3 -5.268 -7.065 -7.065 83 3HB ALA 3 HB1 ALA 3 -4.436 -7.123 -7.123 84 H ILE 4 HN ILE 4 -7.973 -9.078 -9.078 85 HA ILE 4 HA ILE 4 -10.174 -7.793 -7.793 86 HB ILE 4 HB ILE 4 -10.375 -9.973 -9.973 87 1HG1 ILE 4 HG12 ILE 4 -10.730 -10.797 -10.797 88 2HG1 ILE 4 HG11 ILE 4 -11.387 -9.195 -9.195 89 1HG2 ILE 4 HG23 ILE 4 -7.916 -10.481 -10.481 90 2HG2 ILE 4 HG22 ILE 4 -8.964 -11.382 -11.382 91 3HG2 ILE 4 HG21 ILE 4 -9.004 -11.709 -11.709 92 1HD1 ILE 4 HD12 ILE 4 -11.910 -11.491 -11.491 93 2HD1 ILE 4 HD11 ILE 4 -12.893 -11.231 -11.231 94 3HD1 ILE 4 HD13 ILE 4 -12.816 -9.991 -9.991 95 H ALA 5 HN ALA 5 -10.205 -6.752 -6.752 96 HA ALA 5 HA ALA 5 -8.202 -7.127 -7.127 97 1HB ALA 5 HB2 ALA 5 -10.790 -5.556 -5.556 98 2HB ALA 5 HB1 ALA 5 -9.946 -5.728 -5.728 99 3HB ALA 5 HB3 ALA 5 -9.146 -4.941 -4.941 100 H LYS 6 HN LYS 6 -8.318 -9.061 -9.061 101 HA LYS 6 HA LYS 6 -10.669 -10.699 -10.699 102 1HB LYS 6 HB2 LYS 6 -8.190 -10.852 -10.852 103 2HB LYS 6 HB1 LYS 6 -9.361 -12.141 -12.141 104 1HG LYS 6 HG2 LYS 6 -8.689 -12.452 -12.452 105 2HG LYS 6 HG1 LYS 6 -7.981 -10.843 -10.843 106 1HD LYS 6 HD2 LYS 6 -6.185 -12.447 -12.447 107 2HD LYS 6 HD1 LYS 6 -6.245 -11.551 -11.551 108 1HE LYS 6 HE2 LYS 6 -6.979 -13.370 -13.370 109 2HE LYS 6 HE1 LYS 6 -7.885 -14.032 -14.032 110 1HZ LYS 6 HZ1 LYS 6 -5.711 -14.575 -14.575 111 2HZ LYS 6 HZ3 LYS 6 -4.948 -14.115 -14.115 112 3HZ LYS 6 HZ2 LYS 6 -6.023 -15.431 -15.431 113 H TYR 7 HN TYR 7 -9.417 -8.190 -8.190 114 HA TYR 7 HA TYR 7 -11.807 -8.531 -8.531 115 1HB TYR 7 HB2 TYR 7 -9.105 -8.188 -8.188 116 2HB TYR 7 HB1 TYR 7 -10.618 -8.681 -8.681 117 HD1 TYR 7 HD1 TYR 7 -11.647 -10.942 -10.942 118 HD2 TYR 7 HD2 TYR 7 -7.560 -9.785 -9.785 119 HE1 TYR 7 HE1 TYR 7 -11.032 -13.317 -13.317 120 HE2 TYR 7 HE2 TYR 7 -6.935 -12.149 -12.149 121 HH TYR 7 HH TYR 7 -8.809 -14.434 -14.434 122 H ASP 8 HN ASP 8 -11.392 -6.756 -6.756 123 HA ASP 8 HA ASP 8 -11.459 -4.213 -4.213 124 1HB ASP 8 HB2 ASP 8 -12.622 -5.267 -5.267 125 2HB ASP 8 HB1 ASP 8 -11.534 -3.986 -3.986 126 H PHE 9 HN PHE 9 -10.231 -2.343 -2.343 127 HA PHE 9 HA PHE 9 -8.015 -2.577 -2.577 128 1HB PHE 9 HB2 PHE 9 -7.489 -3.888 -3.888 129 2HB PHE 9 HB1 PHE 9 -6.693 -2.333 -2.333 130 HD1 PHE 9 HD1 PHE 9 -6.296 -2.209 -2.209 131 HD2 PHE 9 HD2 PHE 9 -5.276 -4.991 -4.991 132 HE1 PHE 9 HE1 PHE 9 -4.386 -3.025 -3.025 133 HE2 PHE 9 HE2 PHE 9 -3.372 -5.812 -5.812 134 HZ PHE 9 HZ PHE 9 -2.927 -4.829 -4.829 135 H LYS 10 HN LYS 10 -6.351 -0.679 -0.679 136 HA LYS 10 HA LYS 10 -7.658 1.545 1.545 137 1HB LYS 10 HB2 LYS 10 -8.253 1.441 1.441 138 2HB LYS 10 HB1 LYS 10 -6.634 2.111 2.111 139 1HG LYS 10 HG2 LYS 10 -7.195 4.109 4.109 140 2HG LYS 10 HG1 LYS 10 -8.408 3.370 3.370 141 1HD LYS 10 HD2 LYS 10 -9.643 4.640 4.640 142 2HD LYS 10 HD1 LYS 10 -9.775 2.963 2.963 143 1HE LYS 10 HE2 LYS 10 -7.682 3.459 3.459 144 2HE LYS 10 HE1 LYS 10 -8.052 5.158 5.158 145 1HZ LYS 10 HZ2 LYS 10 -10.054 3.239 3.239 146 2HZ LYS 10 HZ1 LYS 10 -9.050 4.157 4.157 147 3HZ LYS 10 HZ3 LYS 10 -10.142 4.935 4.935 148 H ALA 11 HN ALA 11 -6.219 3.468 3.468 149 HA ALA 11 HA ALA 11 -3.568 2.532 2.532 150 1HB ALA 11 HB1 ALA 11 -4.778 5.298 5.298 151 2HB ALA 11 HB3 ALA 11 -3.211 4.843 4.843 152 3HB ALA 11 HB2 ALA 11 -4.696 4.141 4.141 153 H THR 12 HN THR 12 -1.749 2.818 2.818 154 HA THR 12 HA THR 12 -2.142 4.333 4.333 155 HB THR 12 HB THR 12 -0.004 2.961 2.961 156 HG1 THR 12 HG1 THR 12 -1.104 1.342 1.342 157 1HG2 THR 12 HG22 THR 12 -2.725 1.683 1.683 158 2HG2 THR 12 HG21 THR 12 -1.458 1.064 1.064 159 3HG2 THR 12 HG23 THR 12 -2.205 2.627 2.627 160 H ALA 13 HN ALA 13 0.482 3.559 3.559 161 HA ALA 13 HA ALA 13 2.167 5.746 5.746 162 1HB ALA 13 HB1 ALA 13 2.042 4.003 4.003 163 2HB ALA 13 HB3 ALA 13 3.146 5.379 5.379 164 3HB ALA 13 HB2 ALA 13 3.287 4.063 4.063 165 H ASP 14 HN ASP 14 2.789 7.460 7.460 166 HA ASP 14 HA ASP 14 0.514 9.120 9.120 167 1HB ASP 14 HB2 ASP 14 2.968 9.655 9.655 168 2HB ASP 14 HB1 ASP 14 3.233 9.566 9.566 169 H ASP 15 HN ASP 15 1.900 6.609 6.609 170 HA ASP 15 HA ASP 15 0.513 7.541 7.541 171 1HB ASP 15 HB2 ASP 15 3.300 6.522 6.522 172 2HB ASP 15 HB1 ASP 15 2.393 6.152 6.152 173 H GLU 16 HN GLU 16 -0.298 5.713 5.713 174 HA GLU 16 HA GLU 16 -0.248 3.067 3.067 175 1HB GLU 16 HB2 GLU 16 0.077 3.495 3.495 176 2HB GLU 16 HB1 GLU 16 -1.675 3.675 3.675 177 1HG GLU 16 HG2 GLU 16 -2.057 1.468 1.468 178 2HG GLU 16 HG1 GLU 16 -0.629 1.320 1.320 179 H LEU 17 HN LEU 17 -2.519 1.913 1.913 180 HA LEU 17 HA LEU 17 -4.587 3.856 3.856 181 1HB LEU 17 HB2 LEU 17 -3.642 2.778 2.778 182 2HB LEU 17 HB1 LEU 17 -3.846 1.195 1.195 183 HG LEU 17 HG LEU 17 -6.363 1.727 1.727 184 1HD1 LEU 17 HD13 LEU 17 -5.337 4.196 4.196 185 2HD1 LEU 17 HD12 LEU 17 -6.393 3.437 3.437 186 3HD1 LEU 17 HD11 LEU 17 -6.996 3.785 3.785 187 1HD2 LEU 17 HD23 LEU 17 -4.661 1.106 1.106 188 2HD2 LEU 17 HD22 LEU 17 -5.894 0.121 0.121 189 3HD2 LEU 17 HD21 LEU 17 -6.371 1.427 1.427 190 H SER 18 HN SER 18 -6.691 3.438 3.438 191 HA SER 18 HA SER 18 -7.068 1.414 1.414 192 1HB SER 18 HB2 SER 18 -9.040 3.429 3.429 193 2HB SER 18 HB1 SER 18 -8.739 2.754 2.754 194 HG SER 18 HG SER 18 -7.978 4.957 4.957 195 H PHE 19 HN PHE 19 -9.175 0.219 0.219 196 HA PHE 19 HA PHE 19 -10.864 0.146 0.146 197 1HB PHE 19 HB2 PHE 19 -10.154 -1.971 -1.971 198 2HB PHE 19 HB1 PHE 19 -8.888 -0.755 -0.755 199 HD1 PHE 19 HD1 PHE 19 -9.950 -3.874 -3.874 200 HD2 PHE 19 HD2 PHE 19 -6.824 -0.946 -0.946 201 HE1 PHE 19 HE1 PHE 19 -8.369 -5.422 -5.422 202 HE2 PHE 19 HE2 PHE 19 -5.251 -2.489 -2.489 203 HZ PHE 19 HZ PHE 19 -6.023 -4.727 -4.727 204 H LYS 20 HN LYS 20 -12.270 -1.873 -1.873 205 HA LYS 20 HA LYS 20 -12.593 -2.784 -2.784 206 1HB LYS 20 HB2 LYS 20 -14.711 -2.516 -2.516 207 2HB LYS 20 HB1 LYS 20 -14.979 -2.906 -2.906 208 1HG LYS 20 HG2 LYS 20 -13.432 -0.443 -0.443 209 2HG LYS 20 HG1 LYS 20 -15.052 -0.368 -0.368 210 1HD LYS 20 HD2 LYS 20 -14.452 -1.242 -1.242 211 2HD LYS 20 HD1 LYS 20 -14.935 0.392 0.392 212 1HE LYS 20 HE2 LYS 20 -16.997 -0.611 -0.611 213 2HE LYS 20 HE1 LYS 20 -16.542 -2.152 -2.152 214 1HZ LYS 20 HZ3 LYS 20 -17.006 0.371 0.371 215 2HZ LYS 20 HZ2 LYS 20 -18.106 -0.919 -0.919 216 3HZ LYS 20 HZ1 LYS 20 -16.617 -1.133 -1.133 217 H ARG 21 HN ARG 21 -14.103 -4.828 -4.828 218 HA ARG 21 HA ARG 21 -12.620 -6.956 -6.956 219 1HB ARG 21 HB2 ARG 21 -13.755 -7.067 -7.067 220 2HB ARG 21 HB1 ARG 21 -15.307 -7.021 -7.021 221 1HG ARG 21 HG2 ARG 21 -15.078 -9.161 -9.161 222 2HG ARG 21 HG1 ARG 21 -13.314 -9.068 -9.068 223 1HD ARG 21 HD2 ARG 21 -13.090 -9.581 -9.581 224 2HD ARG 21 HD1 ARG 21 -14.661 -8.901 -8.901 225 HE ARG 21 HE ARG 21 -14.444 -11.490 -11.490 226 1HH1 ARG 21 HH11 ARG 21 -17.078 -10.097 -10.097 227 2HH1 ARG 21 HH12 ARG 21 -17.547 -11.004 -11.004 228 1HH2 ARG 21 HH21 ARG 21 -14.412 -12.410 -12.410 229 2HH2 ARG 21 HH22 ARG 21 -16.038 -12.313 -12.313 230 H GLY 22 HN GLY 22 -12.825 -6.791 -6.791 231 1HA GLY 22 HA2 GLY 22 -14.214 -7.938 -7.938 232 2HA GLY 22 HA1 GLY 22 -15.615 -7.142 -7.142 233 H ASP 23 HN ASP 23 -13.024 -4.981 -4.981 234 HA ASP 23 HA ASP 23 -14.076 -3.575 -3.575 235 1HB ASP 23 HB2 ASP 23 -13.069 -2.830 -2.830 236 2HB ASP 23 HB1 ASP 23 -12.031 -2.125 -2.125 237 H ILE 24 HN ILE 24 -13.063 -4.619 -4.619 238 HA ILE 24 HA ILE 24 -10.276 -5.347 -5.347 239 HB ILE 24 HB ILE 24 -11.832 -4.919 -4.919 240 1HG1 ILE 24 HG12 ILE 24 -12.043 -7.133 -7.133 241 2HG1 ILE 24 HG11 ILE 24 -13.354 -6.225 -6.225 242 1HG2 ILE 24 HG21 ILE 24 -9.250 -5.608 -5.608 243 2HG2 ILE 24 HG23 ILE 24 -9.982 -7.205 -7.205 244 3HG2 ILE 24 HG22 ILE 24 -10.175 -6.241 -6.241 245 1HD1 ILE 24 HD12 ILE 24 -12.122 -7.382 -7.382 246 2HD1 ILE 24 HD11 ILE 24 -11.981 -8.627 -8.627 247 3HD1 ILE 24 HD13 ILE 24 -13.567 -8.000 -8.000 248 H LEU 25 HN LEU 25 -8.558 -4.152 -4.152 249 HA LEU 25 HA LEU 25 -8.873 -1.284 -1.284 250 1HB LEU 25 HB2 LEU 25 -6.086 -2.186 -2.186 251 2HB LEU 25 HB1 LEU 25 -6.941 -0.999 -0.999 252 HG LEU 25 HG LEU 25 -6.904 -4.017 -4.017 253 1HD1 LEU 25 HD13 LEU 25 -4.995 -2.325 -2.325 254 2HD1 LEU 25 HD12 LEU 25 -6.113 -2.001 -2.001 255 3HD1 LEU 25 HD11 LEU 25 -5.508 -3.637 -3.637 256 1HD2 LEU 25 HD23 LEU 25 -9.030 -2.305 -2.305 257 2HD2 LEU 25 HD22 LEU 25 -8.717 -3.879 -3.879 258 3HD2 LEU 25 HD21 LEU 25 -8.122 -2.405 -2.405 259 H LYS 26 HN LYS 26 -7.225 -0.214 -0.214 260 HA LYS 26 HA LYS 26 -7.068 -1.870 -1.870 261 1HB LYS 26 HB2 LYS 26 -8.460 0.279 0.279 262 2HB LYS 26 HB1 LYS 26 -6.927 1.144 1.144 263 1HG LYS 26 HG2 LYS 26 -6.318 0.658 0.658 264 2HG LYS 26 HG1 LYS 26 -7.087 -0.930 -0.930 265 1HD LYS 26 HD2 LYS 26 -8.572 0.149 0.149 266 2HD LYS 26 HD1 LYS 26 -9.296 0.580 0.580 267 1HE LYS 26 HE2 LYS 26 -9.128 2.693 2.693 268 2HE LYS 26 HE1 LYS 26 -7.519 2.580 2.580 269 1HZ LYS 26 HZ3 LYS 26 -6.721 1.720 1.720 270 2HZ LYS 26 HZ2 LYS 26 -8.260 2.001 2.001 271 3HZ LYS 26 HZ1 LYS 26 -7.322 3.302 3.302 272 H VAL 27 HN VAL 27 -5.014 -2.800 -2.800 273 HA VAL 27 HA VAL 27 -2.725 -1.509 -1.509 274 HB VAL 27 HB VAL 27 -2.824 -3.730 -3.730 275 1HG1 VAL 27 HG11 VAL 27 -0.607 -2.359 -2.359 276 2HG1 VAL 27 HG13 VAL 27 -0.671 -3.529 -3.529 277 3HG1 VAL 27 HG12 VAL 27 -0.583 -4.083 -4.083 278 1HG2 VAL 27 HG22 VAL 27 -3.982 -3.788 -3.788 279 2HG2 VAL 27 HG21 VAL 27 -3.275 -5.207 -5.207 280 3HG2 VAL 27 HG23 VAL 27 -2.342 -4.290 -4.290 281 H LEU 28 HN LEU 28 -2.021 0.392 0.392 282 HA LEU 28 HA LEU 28 -1.985 0.937 0.937 283 1HB LEU 28 HB2 LEU 28 -0.638 2.879 2.879 284 2HB LEU 28 HB1 LEU 28 -1.772 3.173 3.173 285 HG LEU 28 HG LEU 28 -3.371 1.965 1.965 286 1HD1 LEU 28 HD11 LEU 28 -1.267 3.693 3.693 287 2HD1 LEU 28 HD13 LEU 28 -2.833 3.368 3.368 288 3HD1 LEU 28 HD12 LEU 28 -1.718 2.041 2.041 289 1HD2 LEU 28 HD21 LEU 28 -2.923 4.649 4.649 290 2HD2 LEU 28 HD23 LEU 28 -4.438 3.799 3.799 291 3HD2 LEU 28 HD22 LEU 28 -3.650 4.685 4.685 292 H ASN 29 HN ASN 29 0.113 -0.038 -0.038 293 HA ASN 29 HA ASN 29 2.232 -0.747 -0.747 294 1HB ASN 29 HB2 ASN 29 2.209 1.935 1.935 295 2HB ASN 29 HB1 ASN 29 3.252 1.398 1.398 296 1HD2 ASN 29 HD22 ASN 29 4.514 0.513 0.513 297 2HD2 ASN 29 HD21 ASN 29 2.851 0.480 0.480 298 H GLU 30 HN GLU 30 4.438 -0.499 -0.499 299 HA GLU 30 HA GLU 30 3.788 -1.456 -1.456 300 1HB GLU 30 HB2 GLU 30 3.367 -3.406 -3.406 301 2HB GLU 30 HB1 GLU 30 5.101 -3.621 -3.621 302 1HG GLU 30 HG2 GLU 30 4.343 -3.361 -3.361 303 2HG GLU 30 HG1 GLU 30 2.862 -4.049 -4.049 304 H GLU 31 HN GLU 31 5.377 0.330 0.330 305 HA GLU 31 HA GLU 31 8.069 0.234 0.234 306 1HB GLU 31 HB2 GLU 31 7.097 1.358 1.358 307 2HB GLU 31 HB1 GLU 31 8.585 1.796 1.796 308 1HG GLU 31 HG2 GLU 31 6.070 2.046 2.046 309 2HG GLU 31 HG1 GLU 31 6.288 3.204 3.204 310 H CYS 32 HN CYS 32 9.824 0.164 0.164 311 HA CYS 32 HA CYS 32 10.329 -2.576 -2.576 312 1HB CYS 32 HB2 CYS 32 11.116 -0.313 -0.313 313 2HB CYS 32 HB1 CYS 32 11.785 -1.950 -1.950 314 HG CYS 32 HG CYS 32 12.206 -1.110 -1.110 315 H ASP 33 HN ASP 33 9.812 -4.011 -4.011 316 HA ASP 33 HA ASP 33 8.687 -3.760 -3.760 317 1HB ASP 33 HB2 ASP 33 6.721 -2.612 -2.612 318 2HB ASP 33 HB1 ASP 33 6.714 -3.321 -3.321 319 H GLN 34 HN GLN 34 7.510 -5.809 -5.809 320 HA GLN 34 HA GLN 34 8.183 -7.989 -7.989 321 1HB GLN 34 HB2 GLN 34 9.233 -7.530 -7.530 322 2HB GLN 34 HB1 GLN 34 8.790 -9.194 -9.194 323 1HG GLN 34 HG2 GLN 34 10.336 -7.763 -7.763 324 2HG GLN 34 HG1 GLN 34 11.213 -8.120 -8.120 325 1HE2 GLN 34 HE22 GLN 34 10.563 -11.085 -11.085 326 2HE2 GLN 34 HE21 GLN 34 10.327 -9.446 -9.446 327 H ASN 35 HN ASN 35 5.713 -6.640 -6.640 328 HA ASN 35 HA ASN 35 4.054 -9.026 -9.026 329 1HB ASN 35 HB2 ASN 35 5.094 -8.130 -8.130 330 2HB ASN 35 HB1 ASN 35 3.422 -8.673 -8.673 331 1HD2 ASN 35 HD22 ASN 35 6.229 -11.454 -11.454 332 2HD2 ASN 35 HD21 ASN 35 6.415 -9.845 -9.845 333 H TRP 36 HN TRP 36 4.071 -5.954 -5.954 334 HA TRP 36 HA TRP 36 1.200 -5.574 -5.574 335 1HB TRP 36 HB2 TRP 36 3.159 -3.265 -3.265 336 2HB TRP 36 HB1 TRP 36 1.446 -3.257 -3.257 337 HD1 TRP 36 HD1 TRP 36 4.410 -5.555 -5.555 338 HE1 TRP 36 HE1 TRP 36 4.363 -5.670 -5.670 339 HE3 TRP 36 HE3 TRP 36 0.399 -2.474 -2.474 340 HZ2 TRP 36 HZ2 TRP 36 2.950 -4.604 -4.604 341 HZ3 TRP 36 HZ3 TRP 36 -0.202 -2.038 -2.038 342 HH2 TRP 36 HH2 TRP 36 1.051 -3.103 -3.103 343 H TYR 37 HN TYR 37 0.093 -4.424 -4.424 344 HA TYR 37 HA TYR 37 1.659 -4.037 -4.037 345 1HB TYR 37 HB2 TYR 37 -1.320 -4.242 -4.242 346 2HB TYR 37 HB1 TYR 37 -0.612 -3.932 -3.932 347 HD1 TYR 37 HD2 TYR 37 1.672 -5.785 -5.785 348 HD2 TYR 37 HD1 TYR 37 -2.268 -6.325 -6.325 349 HE1 TYR 37 HE2 TYR 37 1.841 -8.232 -8.232 350 HE2 TYR 37 HE1 TYR 37 -2.114 -8.755 -8.755 351 HH TYR 37 HH TYR 37 -0.567 -10.471 -10.471 352 H LYS 38 HN LYS 38 1.080 -2.118 -2.118 353 HA LYS 38 HA LYS 38 0.267 0.244 0.244 354 1HB LYS 38 HB2 LYS 38 2.504 0.209 0.209 355 2HB LYS 38 HB1 LYS 38 1.472 0.366 0.366 356 1HG LYS 38 HG2 LYS 38 0.475 2.261 2.261 357 2HG LYS 38 HG1 LYS 38 2.227 2.374 2.374 358 1HD LYS 38 HD2 LYS 38 1.737 2.136 2.136 359 2HD LYS 38 HD1 LYS 38 0.522 3.267 3.267 360 1HE LYS 38 HE2 LYS 38 2.353 4.519 4.519 361 2HE LYS 38 HE1 LYS 38 3.516 3.456 3.456 362 1HZ LYS 38 HZ2 LYS 38 1.513 5.091 5.091 363 2HZ LYS 38 HZ1 LYS 38 3.113 5.591 5.591 364 3HZ LYS 38 HZ3 LYS 38 2.809 4.218 4.218 365 H ALA 39 HN ALA 39 -1.867 0.818 0.818 366 HA ALA 39 HA ALA 39 -3.042 0.529 0.529 367 1HB ALA 39 HB3 ALA 39 -3.319 -1.652 -1.652 368 2HB ALA 39 HB2 ALA 39 -4.135 -0.864 -0.864 369 3HB ALA 39 HB1 ALA 39 -4.870 -0.854 -0.854 370 H GLU 40 HN GLU 40 -5.568 0.926 0.926 371 HA GLU 40 HA GLU 40 -5.888 3.204 3.204 372 1HB GLU 40 HB2 GLU 40 -5.548 4.770 4.770 373 2HB GLU 40 HB1 GLU 40 -4.904 3.499 3.499 374 1HG GLU 40 HG2 GLU 40 -7.103 3.218 3.218 375 2HG GLU 40 HG1 GLU 40 -7.827 4.360 4.360 376 H LEU 41 HN LEU 41 -7.824 3.430 3.430 377 HA LEU 41 HA LEU 41 -9.980 1.786 1.786 378 1HB LEU 41 HB2 LEU 41 -9.366 2.632 2.632 379 2HB LEU 41 HB1 LEU 41 -11.072 2.452 2.452 380 HG LEU 41 HG LEU 41 -9.109 0.356 0.356 381 1HD1 LEU 41 HD12 LEU 41 -9.344 1.109 1.109 382 2HD1 LEU 41 HD11 LEU 41 -10.575 -0.152 -0.152 383 3HD1 LEU 41 HD13 LEU 41 -8.896 -0.506 -0.506 384 1HD2 LEU 41 HD22 LEU 41 -11.507 0.535 0.535 385 2HD2 LEU 41 HD21 LEU 41 -11.073 -1.007 -1.007 386 3HD2 LEU 41 HD23 LEU 41 -12.005 0.186 0.186 387 H ASN 42 HN ASN 42 -10.815 2.904 2.904 388 HA ASN 42 HA ASN 42 -11.987 4.616 4.616 389 1HB ASN 42 HB2 ASN 42 -13.206 4.059 4.059 390 2HB ASN 42 HB1 ASN 42 -13.820 5.454 5.454 391 1HD2 ASN 42 HD22 ASN 42 -15.915 3.211 3.211 392 2HD2 ASN 42 HD21 ASN 42 -15.819 4.577 4.577 393 H GLY 43 HN GLY 43 -9.619 5.682 5.682 394 1HA GLY 43 HA2 GLY 43 -9.509 8.308 8.308 395 2HA GLY 43 HA1 GLY 43 -10.632 8.341 8.341 396 H LYS 44 HN LYS 44 -9.351 6.233 6.233 397 HA LYS 44 HA LYS 44 -7.112 7.756 7.756 398 1HB LYS 44 HB2 LYS 44 -8.840 5.532 5.532 399 2HB LYS 44 HB1 LYS 44 -7.202 5.710 5.710 400 1HG LYS 44 HG2 LYS 44 -7.597 7.781 7.781 401 2HG LYS 44 HG1 LYS 44 -8.919 8.138 8.138 402 1HD LYS 44 HD2 LYS 44 -9.039 6.058 6.058 403 2HD LYS 44 HD1 LYS 44 -9.729 7.676 7.676 404 1HE LYS 44 HE2 LYS 44 -10.807 6.839 6.839 405 2HE LYS 44 HE1 LYS 44 -10.700 5.309 5.309 406 1HZ LYS 44 HZ3 LYS 44 -11.927 7.781 7.781 407 2HZ LYS 44 HZ2 LYS 44 -12.800 6.506 6.506 408 3HZ LYS 44 HZ1 LYS 44 -11.920 6.247 6.247 409 H ASP 45 HN ASP 45 -5.302 6.236 6.236 410 HA ASP 45 HA ASP 45 -4.763 3.949 3.949 411 1HB ASP 45 HB2 ASP 45 -3.650 4.738 4.738 412 2HB ASP 45 HB1 ASP 45 -4.574 6.184 6.184 413 H GLY 46 HN GLY 46 -2.185 3.617 3.617 414 1HA GLY 46 HA2 GLY 46 -0.149 4.203 4.203 415 2HA GLY 46 HA1 GLY 46 -1.201 4.233 4.233 416 H PHE 47 HN PHE 47 0.670 2.641 2.641 417 HA PHE 47 HA PHE 47 0.662 0.003 0.003 418 1HB PHE 47 HB2 PHE 47 1.726 1.014 1.014 419 2HB PHE 47 HB1 PHE 47 2.069 -0.577 -0.577 420 HD1 PHE 47 HD2 PHE 47 2.959 -0.576 -0.576 421 HD2 PHE 47 HD1 PHE 47 3.160 2.783 2.783 422 HE1 PHE 47 HE2 PHE 47 4.773 0.408 0.408 423 HE2 PHE 47 HE1 PHE 47 4.974 3.769 3.769 424 HZ PHE 47 HZ PHE 47 5.780 2.581 2.581 425 H ILE 48 HN ILE 48 -0.128 -1.982 -1.982 426 HA ILE 48 HA ILE 48 -1.966 -1.749 -1.749 427 HB ILE 48 HB ILE 48 -3.470 -3.420 -3.420 428 1HG1 ILE 48 HG12 ILE 48 -1.710 -3.163 -3.163 429 2HG1 ILE 48 HG11 ILE 48 -3.419 -3.303 -3.303 430 1HG2 ILE 48 HG21 ILE 48 -3.473 -0.524 -0.524 431 2HG2 ILE 48 HG23 ILE 48 -4.467 -1.065 -1.065 432 3HG2 ILE 48 HG22 ILE 48 -4.762 -1.692 -1.692 433 1HD1 ILE 48 HD12 ILE 48 -1.980 -0.658 -0.658 434 2HD1 ILE 48 HD11 ILE 48 -2.234 -1.474 -1.474 435 3HD1 ILE 48 HD13 ILE 48 -3.611 -0.917 -0.917 436 HA PRO 49 HA PRO 49 0.389 -5.413 -5.413 437 1HB PRO 49 HB2 PRO 49 -1.028 -6.387 -6.387 438 2HB PRO 49 HB1 PRO 49 0.212 -5.112 -5.112 439 1HG PRO 49 HG2 PRO 49 -2.787 -4.860 -4.860 440 2HG PRO 49 HG1 PRO 49 -1.554 -3.814 -3.814 441 1HD PRO 49 HD2 PRO 49 -2.935 -3.217 -3.217 442 2HD PRO 49 HD1 PRO 49 -1.442 -2.464 -2.464 443 H LYS 50 HN LYS 50 0.147 -6.873 -6.873 444 HA LYS 50 HA LYS 50 -1.975 -8.010 -8.010 445 1HB LYS 50 HB2 LYS 50 0.583 -8.302 -8.302 446 2HB LYS 50 HB1 LYS 50 0.357 -9.696 -9.696 447 1HG LYS 50 HG2 LYS 50 -1.152 -10.726 -10.726 448 2HG LYS 50 HG1 LYS 50 -1.238 -9.259 -9.259 449 1HD LYS 50 HD2 LYS 50 0.796 -9.652 -9.652 450 2HD LYS 50 HD1 LYS 50 1.501 -10.325 -10.325 451 1HE LYS 50 HE2 LYS 50 -0.668 -11.921 -11.921 452 2HE LYS 50 HE1 LYS 50 0.862 -11.845 -11.845 453 1HZ LYS 50 HZ1 LYS 50 0.538 -12.632 -12.632 454 2HZ LYS 50 HZ3 LYS 50 0.813 -13.696 -13.696 455 3HZ LYS 50 HZ2 LYS 50 2.006 -12.569 -12.569 456 H ASN 51 HN ASN 51 -1.120 -8.806 -8.806 457 HA ASN 51 HA ASN 51 -2.190 -11.344 -11.344 458 1HB ASN 51 HB2 ASN 51 -1.573 -9.211 -9.211 459 2HB ASN 51 HB1 ASN 51 -2.604 -10.469 -10.469 460 1HD2 ASN 51 HD22 ASN 51 1.044 -11.785 -11.785 461 2HD2 ASN 51 HD21 ASN 51 0.145 -10.703 -10.703 462 H TYR 52 HN TYR 52 -3.667 -8.245 -8.245 463 HA TYR 52 HA TYR 52 -6.357 -9.364 -9.364 464 1HB TYR 52 HB2 TYR 52 -5.227 -6.566 -6.566 465 2HB TYR 52 HB1 TYR 52 -6.949 -6.873 -6.873 466 HD1 TYR 52 HD1 TYR 52 -3.873 -8.162 -8.162 467 HD2 TYR 52 HD2 TYR 52 -7.842 -6.654 -6.654 468 HE1 TYR 52 HE1 TYR 52 -3.753 -8.260 -8.260 469 HE2 TYR 52 HE2 TYR 52 -7.737 -6.726 -6.726 470 HH TYR 52 HH TYR 52 -5.023 -6.923 -6.923 471 H ILE 53 HN ILE 53 -4.805 -9.741 -9.741 472 HA ILE 53 HA ILE 53 -6.796 -8.814 -8.814 473 HB ILE 53 HB ILE 53 -4.251 -8.051 -8.051 474 1HG1 ILE 53 HG12 ILE 53 -5.243 -6.333 -6.333 475 2HG1 ILE 53 HG11 ILE 53 -3.847 -7.405 -7.405 476 1HG2 ILE 53 HG23 ILE 53 -6.655 -7.525 -7.525 477 2HG2 ILE 53 HG22 ILE 53 -6.587 -6.244 -6.244 478 3HG2 ILE 53 HG21 ILE 53 -5.441 -6.265 -6.265 479 1HD1 ILE 53 HD13 ILE 53 -3.157 -6.173 -6.173 480 2HD1 ILE 53 HD12 ILE 53 -4.193 -4.907 -4.907 481 3HD1 ILE 53 HD11 ILE 53 -2.794 -5.468 -5.468 482 H GLU 54 HN GLU 54 -6.090 -9.354 -9.354 483 HA GLU 54 HA GLU 54 -4.257 -11.512 -11.512 484 1HB GLU 54 HB2 GLU 54 -7.078 -11.969 -11.969 485 2HB GLU 54 HB1 GLU 54 -6.483 -12.417 -12.417 486 1HG GLU 54 HG2 GLU 54 -5.118 -13.321 -13.321 487 2HG GLU 54 HG1 GLU 54 -6.417 -14.252 -14.252 488 H MET 55 HN MET 55 -3.845 -11.875 -11.875 489 HA MET 55 HA MET 55 -4.200 -9.303 -9.303 490 1HB MET 55 HB2 MET 55 -1.963 -10.704 -10.704 491 2HB MET 55 HB1 MET 55 -2.456 -11.438 -11.438 492 1HG MET 55 HG2 MET 55 -2.628 -9.199 -9.199 493 2HG MET 55 HG1 MET 55 -2.125 -8.466 -8.466 494 1HE MET 55 HE1 MET 55 -1.649 -10.899 -10.899 495 2HE MET 55 HE3 MET 55 -0.254 -10.191 -10.191 496 3HE MET 55 HE2 MET 55 -0.045 -11.596 -11.596 497 H LYS 56 HN LYS 56 -6.004 -9.253 -9.253 498 HA LYS 56 HA LYS 56 -6.653 -11.575 -11.575 499 1HB LYS 56 HB2 LYS 56 -8.140 -9.264 -9.264 500 2HB LYS 56 HB1 LYS 56 -8.634 -9.926 -9.926 501 1HG LYS 56 HG2 LYS 56 -8.429 -12.225 -12.225 502 2HG LYS 56 HG1 LYS 56 -8.601 -11.231 -11.231 503 1HD LYS 56 HD2 LYS 56 -10.522 -11.211 -11.211 504 2HD LYS 56 HD1 LYS 56 -10.796 -12.085 -12.085 505 1HE LYS 56 HE2 LYS 56 -11.002 -10.103 -10.103 506 2HE LYS 56 HE1 LYS 56 -10.219 -9.126 -9.126 507 1HZ LYS 56 HZ1 LYS 56 -12.379 -10.196 -10.196 508 2HZ LYS 56 HZ3 LYS 56 -12.980 -9.862 -9.862 509 3HZ LYS 56 HZ2 LYS 56 -12.276 -8.624 -8.624 510 HA PRO 57 HA PRO 57 -5.217 -9.762 -9.762 511 1HB PRO 57 HB2 PRO 57 -6.760 -11.005 -11.005 512 2HB PRO 57 HB1 PRO 57 -5.388 -11.764 -11.764 513 1HG PRO 57 HG2 PRO 57 -8.284 -12.150 -12.150 514 2HG PRO 57 HG1 PRO 57 -6.951 -13.243 -13.243 515 1HD PRO 57 HD2 PRO 57 -8.308 -11.706 -11.706 516 2HD PRO 57 HD1 PRO 57 -6.767 -12.559 -12.559 517 H HIS 58 HN HIS 58 -6.501 -9.093 -9.093 518 HA HIS 58 HA HIS 58 -8.846 -7.443 -7.443 519 1HB HIS 58 HB2 HIS 58 -6.332 -6.302 -6.302 520 2HB HIS 58 HB1 HIS 58 -6.883 -5.958 -5.958 521 HD1 HIS 58 HD1 HIS 58 -9.055 -4.497 -4.497 522 HD2 HIS 58 HD2 HIS 58 -7.720 -4.919 -4.919 523 HE1 HIS 58 HE1 HIS 58 -10.312 -2.777 -2.777 524 HA PRO 59 HA PRO 59 -9.764 -8.940 -8.940 525 1HB PRO 59 HB2 PRO 59 -12.253 -7.811 -7.811 526 2HB PRO 59 HB1 PRO 59 -11.941 -9.281 -9.281 527 1HG PRO 59 HG2 PRO 59 -12.498 -6.515 -6.515 528 2HG PRO 59 HG1 PRO 59 -12.781 -8.068 -8.068 529 1HD PRO 59 HD2 PRO 59 -10.625 -6.291 -6.291 530 2HD PRO 59 HD1 PRO 59 -10.762 -7.967 -7.967 531 H GLU 60 HN GLU 60 -9.581 -8.060 -8.060 532 HA GLU 60 HA GLU 60 -8.465 -5.488 -5.488 533 1HB GLU 60 HB2 GLU 60 -9.336 -5.796 -5.796 534 2HB GLU 60 HB1 GLU 60 -8.085 -6.864 -6.864 535 1HG GLU 60 HG2 GLU 60 -9.404 -8.681 -8.681 536 2HG GLU 60 HG1 GLU 60 -10.726 -7.930 -7.930 537 H PHE 61 HN PHE 61 -11.825 -6.376 -6.376 538 HA PHE 61 HA PHE 61 -12.706 -3.685 -3.685 539 1HB PHE 61 HB2 PHE 61 -13.103 -4.827 -4.827 540 2HB PHE 61 HB1 PHE 61 -14.001 -3.445 -3.445 541 HD1 PHE 61 HD1 PHE 61 -12.256 -1.738 -1.738 542 HD2 PHE 61 HD2 PHE 61 -11.354 -4.230 -4.230 543 HE1 PHE 61 HE1 PHE 61 -10.375 -0.237 -0.237 544 HE2 PHE 61 HE2 PHE 61 -9.473 -2.730 -2.730 545 HZ PHE 61 HZ PHE 61 -8.984 -0.734 -0.734 546 H ILE 62 HN ILE 62 -15.174 -3.576 -3.576 547 HA ILE 62 HA ILE 62 -16.299 -6.288 -6.288 548 HB ILE 62 HB ILE 62 -17.928 -5.012 -5.012 549 1HG1 ILE 62 HG12 ILE 62 -16.063 -2.751 -2.751 550 2HG1 ILE 62 HG11 ILE 62 -16.835 -2.785 -2.785 551 1HG2 ILE 62 HG21 ILE 62 -15.965 -6.239 -6.239 552 2HG2 ILE 62 HG23 ILE 62 -14.981 -4.788 -4.788 553 3HG2 ILE 62 HG22 ILE 62 -16.319 -4.800 -4.800 554 1HD1 ILE 62 HD13 ILE 62 -19.010 -3.273 -3.273 555 2HD1 ILE 62 HD12 ILE 62 -18.072 -2.454 -2.454 556 3HD1 ILE 62 HD11 ILE 62 -18.443 -1.624 -1.624 557 H VAL 63 HN VAL 63 -17.331 -6.799 -6.799 558 HA VAL 63 HA VAL 63 -18.683 -4.914 -4.914 559 HB VAL 63 HB VAL 63 -19.226 -7.889 -7.889 560 1HG1 VAL 63 HG12 VAL 63 -20.818 -6.481 -6.481 561 2HG1 VAL 63 HG11 VAL 63 -19.458 -6.016 -6.016 562 3HG1 VAL 63 HG13 VAL 63 -19.968 -7.703 -7.703 563 1HG2 VAL 63 HG21 VAL 63 -17.015 -6.328 -6.328 564 2HG2 VAL 63 HG23 VAL 63 -16.905 -7.803 -7.803 565 3HG2 VAL 63 HG22 VAL 63 -17.545 -7.865 -7.865 566 H THR 64 HN THR 64 -20.601 -3.910 -3.910 567 HA THR 64 HA THR 64 -22.689 -5.332 -5.332 568 HB THR 64 HB THR 64 -23.124 -2.985 -2.985 569 HG1 THR 64 HG1 THR 64 -21.470 -1.631 -1.631 570 1HG2 THR 64 HG21 THR 64 -21.096 -5.061 -5.061 571 2HG2 THR 64 HG23 THR 64 -21.135 -3.590 -3.590 572 3HG2 THR 64 HG22 THR 64 -22.572 -4.606 -4.606 573 H ASP 65 HN ASP 65 -22.029 -2.244 -2.244 574 HA ASP 65 HA ASP 65 -24.777 -2.385 -2.385 575 1HB ASP 65 HB2 ASP 65 -23.921 -0.296 -0.296 576 2HB ASP 65 HB1 ASP 65 -22.861 -0.050 -0.050 577 1H SER 1 HT3 SER 1 -9.848 -13.083 -13.083 578 2H SER 1 HT2 SER 1 -11.167 -13.429 -13.429 579 3H SER 1 HT1 SER 1 -11.046 -11.913 -11.913 580 HA SER 1 HA SER 1 -11.888 -12.614 -12.614 581 1HB SER 1 HB2 SER 1 -13.749 -13.399 -13.399 582 2HB SER 1 HB1 SER 1 -12.822 -14.439 -14.439 583 HG SER 1 HG SER 1 -13.168 -14.969 -14.969 584 HA PRO 2 HA PRO 2 -9.855 -16.780 -16.780 585 1HB PRO 2 HB2 PRO 2 -8.358 -18.097 -18.097 586 2HB PRO 2 HB1 PRO 2 -10.088 -18.383 -18.383 587 1HG PRO 2 HG2 PRO 2 -8.740 -16.903 -16.903 588 2HG PRO 2 HG1 PRO 2 -10.304 -17.735 -17.735 589 1HD PRO 2 HD2 PRO 2 -9.910 -14.939 -14.939 590 2HD PRO 2 HD1 PRO 2 -11.423 -15.806 -15.806 591 H LEU 3 HN LEU 3 -7.905 -15.046 -15.046 592 HA LEU 3 HA LEU 3 -5.831 -14.665 -14.665 593 1HB LEU 3 HB2 LEU 3 -5.355 -16.523 -16.523 594 2HB LEU 3 HB1 LEU 3 -4.964 -15.176 -15.176 595 HG LEU 3 HG LEU 3 -3.585 -16.075 -16.075 596 1HD1 LEU 3 HD12 LEU 3 -2.862 -15.546 -15.546 597 2HD1 LEU 3 HD11 LEU 3 -1.611 -15.440 -15.440 598 3HD1 LEU 3 HD13 LEU 3 -2.495 -16.948 -16.948 599 1HD2 LEU 3 HD23 LEU 3 -3.547 -13.286 -13.286 600 2HD2 LEU 3 HD22 LEU 3 -3.831 -13.737 -13.737 601 3HD2 LEU 3 HD21 LEU 3 -2.219 -13.900 -13.900 602 H LEU 4 HN LEU 4 -5.128 -13.495 -13.495 603 HA LEU 4 HA LEU 4 -4.927 -11.315 -11.315 604 1HB LEU 4 HB2 LEU 4 -7.584 -11.493 -11.493 605 2HB LEU 4 HB1 LEU 4 -6.968 -9.850 -9.850 606 HG LEU 4 HG LEU 4 -6.369 -10.691 -10.691 607 1HD1 LEU 4 HD13 LEU 4 -7.274 -13.029 -13.029 608 2HD1 LEU 4 HD12 LEU 4 -8.857 -12.314 -12.314 609 3HD1 LEU 4 HD11 LEU 4 -7.680 -12.436 -12.436 610 1HD2 LEU 4 HD22 LEU 4 -8.015 -8.890 -8.890 611 2HD2 LEU 4 HD21 LEU 4 -8.414 -9.701 -9.701 612 3HD2 LEU 4 HD23 LEU 4 -9.261 -10.138 -10.138 613 HA PRO 5 HA PRO 5 -3.021 -9.857 -9.857 614 1HB PRO 5 HB2 PRO 5 -0.459 -9.653 -9.653 615 2HB PRO 5 HB1 PRO 5 -1.126 -11.144 -11.144 616 1HG PRO 5 HG2 PRO 5 -0.577 -10.490 -10.490 617 2HG PRO 5 HG1 PRO 5 -0.669 -12.075 -12.075 618 1HD PRO 5 HD2 PRO 5 -2.699 -10.864 -10.864 619 2HD PRO 5 HD1 PRO 5 -2.870 -12.323 -12.323 620 H LYS 6 HN LYS 6 -2.466 -7.684 -7.684 621 HA LYS 6 HA LYS 6 -3.084 -5.705 -5.705 622 1HB LYS 6 HB2 LYS 6 -2.028 -5.420 -5.420 623 2HB LYS 6 HB1 LYS 6 -2.532 -4.070 -4.070 624 1HG LYS 6 HG2 LYS 6 -4.391 -6.385 -6.385 625 2HG LYS 6 HG1 LYS 6 -4.263 -5.071 -5.071 626 1HD LYS 6 HD2 LYS 6 -5.177 -3.509 -3.509 627 2HD LYS 6 HD1 LYS 6 -4.614 -4.358 -4.358 628 1HE LYS 6 HE2 LYS 6 -7.058 -4.555 -4.555 629 2HE LYS 6 HE1 LYS 6 -6.290 -6.133 -6.133 630 1HZ LYS 6 HZ1 LYS 6 -7.126 -4.370 -4.370 631 2HZ LYS 6 HZ3 LYS 6 -7.980 -5.731 -5.731 632 3HZ LYS 6 HZ2 LYS 6 -6.438 -5.916 -5.916 633 H LEU 7 HN LEU 7 -1.477 -5.850 -5.850 634 HA LEU 7 HA LEU 7 1.288 -6.160 -6.160 635 1HB LEU 7 HB2 LEU 7 -0.223 -4.445 -4.445 636 2HB LEU 7 HB1 LEU 7 1.476 -4.891 -4.891 637 HG LEU 7 HG LEU 7 -0.559 -7.047 -7.047 638 1HD1 LEU 7 HD12 LEU 7 -1.276 -5.463 -5.463 639 2HD1 LEU 7 HD11 LEU 7 0.145 -6.065 -6.065 640 3HD1 LEU 7 HD13 LEU 7 -1.139 -7.181 -7.181 641 1HD2 LEU 7 HD21 LEU 7 1.957 -7.399 -7.399 642 2HD2 LEU 7 HD23 LEU 7 1.074 -8.390 -8.390 643 3HD2 LEU 7 HD22 LEU 7 1.947 -6.960 -6.960 644 HA PRO 8 HA PRO 8 1.955 -2.241 -2.241 645 1HB PRO 8 HB2 PRO 8 4.364 -2.940 -2.940 646 2HB PRO 8 HB1 PRO 8 2.794 -3.388 -3.388 647 1HG PRO 8 HG2 PRO 8 4.755 -5.102 -5.102 648 2HG PRO 8 HG1 PRO 8 3.523 -5.568 -5.568 649 1HD PRO 8 HD2 PRO 8 3.329 -5.853 -5.853 650 2HD PRO 8 HD1 PRO 8 2.013 -6.060 -6.060 651 HA PRO 9 HA PRO 9 4.784 -0.513 -0.513 652 1HB PRO 9 HB2 PRO 9 5.084 1.988 1.988 653 2HB PRO 9 HB1 PRO 9 3.638 1.474 1.474 654 1HG PRO 9 HG2 PRO 9 3.991 1.873 1.873 655 2HG PRO 9 HG1 PRO 9 2.509 1.942 1.942 656 1HD PRO 9 HD2 PRO 9 3.353 -0.233 -0.233 657 2HD PRO 9 HD1 PRO 9 2.012 -0.245 -0.245 658 H LYS 10 HN LYS 10 5.738 -1.469 -1.469 659 HA LYS 10 HA LYS 10 8.376 -0.121 -0.121 660 1HB LYS 10 HB2 LYS 10 6.799 -1.669 -1.669 661 2HB LYS 10 HB1 LYS 10 8.558 -1.726 -1.726 662 1HG LYS 10 HG2 LYS 10 8.742 0.542 0.542 663 2HG LYS 10 HG1 LYS 10 7.245 0.935 0.935 664 1HD LYS 10 HD2 LYS 10 5.913 0.397 0.397 665 2HD LYS 10 HD1 LYS 10 7.057 -0.793 -0.793 666 1HE LYS 10 HE2 LYS 10 8.610 1.162 1.162 667 2HE LYS 10 HE1 LYS 10 7.241 2.220 2.220 668 1HZ LYS 10 HZ2 LYS 10 5.969 0.924 0.924 669 2HZ LYS 10 HZ1 LYS 10 7.403 0.108 0.108 670 3HZ LYS 10 HZ3 LYS 10 7.284 1.781 1.781 671 H THR 11 HN THR 11 7.778 -2.005 -2.005 672 HA THR 11 HA THR 11 8.661 -3.910 -3.910 673 HB THR 11 HB THR 11 11.185 -4.229 -4.229 674 HG1 THR 11 HG1 THR 11 11.597 -2.420 -2.420 675 1HG2 THR 11 HG21 THR 11 10.155 -2.719 -2.719 676 2HG2 THR 11 HG23 THR 11 11.875 -2.726 -2.726 677 3HG2 THR 11 HG22 THR 11 11.043 -4.242 -4.242 678 H TYR 12 HN TYR 12 10.163 -6.029 -6.029 679 HA TYR 12 HA TYR 12 9.802 -7.122 -7.122 680 1HB TYR 12 HB2 TYR 12 7.356 -6.950 -6.950 681 2HB TYR 12 HB1 TYR 12 7.866 -8.572 -8.572 682 HD1 TYR 12 HD2 TYR 12 8.573 -10.211 -10.211 683 HD2 TYR 12 HD1 TYR 12 6.659 -6.471 -6.471 684 HE1 TYR 12 HE2 TYR 12 8.004 -11.043 -11.043 685 HE2 TYR 12 HE1 TYR 12 6.089 -7.302 -7.302 686 HH TYR 12 HH TYR 12 5.774 -9.470 -9.470 687 H LYS 13 HN LYS 13 10.483 -9.388 -9.388 688 HA LYS 13 HA LYS 13 11.827 -11.178 -11.178 689 1HB LYS 13 HB2 LYS 13 10.776 -10.516 -10.516 690 2HB LYS 13 HB1 LYS 13 11.427 -12.061 -12.061 691 1HG LYS 13 HG2 LYS 13 9.493 -11.752 -11.752 692 2HG LYS 13 HG1 LYS 13 8.764 -10.839 -10.839 693 1HD LYS 13 HD2 LYS 13 8.004 -12.942 -12.942 694 2HD LYS 13 HD1 LYS 13 9.552 -12.973 -12.973 695 1HE LYS 13 HE2 LYS 13 9.411 -13.852 -13.852 696 2HE LYS 13 HE1 LYS 13 8.917 -14.962 -14.962 697 1HZ LYS 13 HZ2 LYS 13 11.137 -14.287 -14.287 698 2HZ LYS 13 HZ1 LYS 13 11.563 -13.761 -13.761 699 3HZ LYS 13 HZ3 LYS 13 11.161 -15.387 -15.387 700 H ARG 14 HN ARG 14 13.320 -11.490 -11.490 701 HA ARG 14 HA ARG 14 15.350 -10.817 -10.817 702 1HB ARG 14 HB2 ARG 14 13.721 -8.772 -8.772 703 2HB ARG 14 HB1 ARG 14 14.782 -7.944 -7.944 704 1HG ARG 14 HG2 ARG 14 16.681 -9.090 -9.090 705 2HG ARG 14 HG1 ARG 14 15.413 -9.068 -9.068 706 1HD ARG 14 HD2 ARG 14 15.664 -6.538 -6.538 707 2HD ARG 14 HD1 ARG 14 17.096 -6.960 -6.960 708 HE ARG 14 HE ARG 14 14.610 -6.049 -6.049 709 1HH1 ARG 14 HH11 ARG 14 13.990 -8.167 -8.167 710 2HH1 ARG 14 HH12 ARG 14 15.182 -8.339 -8.339 711 1HH2 ARG 14 HH21 ARG 14 17.521 -6.335 -6.335 712 2HH2 ARG 14 HH22 ARG 14 17.180 -7.302 -7.302 713 H GLU 15 HN GLU 15 16.977 -11.471 -11.471 714 HA GLU 15 HA GLU 15 17.379 -10.522 -10.522 715 1HB GLU 15 HB2 GLU 15 18.271 -12.682 -12.682 716 2HB GLU 15 HB1 GLU 15 19.544 -11.677 -11.677 717 1HG GLU 15 HG2 GLU 15 19.906 -10.827 -10.827 718 2HG GLU 15 HG1 GLU 15 18.973 -12.244 -12.244 Start of MODEL 22 1 1H GLY -8 HT2 GLY -8 7.160 -12.155 -12.155 2 2H GLY -8 HT1 GLY -8 7.145 -13.495 -13.495 3 3H GLY -8 HT3 GLY -8 6.299 -12.082 -12.082 4 1HA GLY -8 HA1 GLY -8 8.241 -11.735 -11.735 5 2HA GLY -8 HA2 GLY -8 9.277 -12.765 -12.765 6 H SER -7 HN SER -7 7.155 -10.117 -10.117 7 HA SER -7 HA SER -7 9.285 -8.120 -8.120 8 1HB SER -7 HB2 SER -7 6.451 -8.149 -8.149 9 2HB SER -7 HB1 SER -7 7.356 -6.641 -6.641 10 HG SER -7 HG SER -7 8.817 -7.429 -7.429 11 H ARG -6 HN ARG -6 9.541 -6.556 -6.556 12 HA ARG -6 HA ARG -6 7.410 -6.327 -6.327 13 1HB ARG -6 HB2 ARG -6 10.406 -6.218 -6.218 14 2HB ARG -6 HB1 ARG -6 9.487 -5.284 -5.284 15 1HG ARG -6 HG2 ARG -6 8.166 -7.445 -7.445 16 2HG ARG -6 HG1 ARG -6 9.446 -8.270 -8.270 17 1HD ARG -6 HD2 ARG -6 11.112 -7.599 -7.599 18 2HD ARG -6 HD1 ARG -6 10.033 -6.424 -6.424 19 HE ARG -6 HE ARG -6 8.657 -8.625 -8.625 20 1HH1 ARG -6 HH11 ARG -6 11.639 -9.580 -9.580 21 2HH1 ARG -6 HH12 ARG -6 12.170 -10.173 -10.173 22 1HH2 ARG -6 HH21 ARG -6 9.517 -8.783 -8.783 23 2HH2 ARG -6 HH22 ARG -6 10.968 -9.721 -9.721 24 H ARG -5 HN ARG -5 7.175 -4.846 -4.846 25 HA ARG -5 HA ARG -5 8.005 -2.090 -2.090 26 1HB ARG -5 HB2 ARG -5 7.274 -3.364 -3.364 27 2HB ARG -5 HB1 ARG -5 7.178 -1.613 -1.613 28 1HG ARG -5 HG2 ARG -5 9.372 -1.854 -1.854 29 2HG ARG -5 HG1 ARG -5 9.600 -1.893 -1.893 30 1HD ARG -5 HD2 ARG -5 10.584 -3.907 -3.907 31 2HD ARG -5 HD1 ARG -5 9.027 -4.559 -4.559 32 HE ARG -5 HE ARG -5 9.816 -3.685 -3.685 33 1HH1 ARG -5 HH21 ARG -5 12.538 -2.930 -2.930 34 2HH1 ARG -5 HH22 ARG -5 13.441 -4.392 -4.392 35 1HH2 ARG -5 HH11 ARG -5 10.652 -6.448 -6.448 36 2HH2 ARG -5 HH12 ARG -5 12.374 -6.382 -6.382 37 H ALA -4 HN ALA -4 5.816 -3.399 -3.399 38 HA ALA -4 HA ALA -4 3.305 -2.457 -2.457 39 1HB ALA -4 HB1 ALA -4 3.389 -4.426 -4.426 40 2HB ALA -4 HB3 ALA -4 3.948 -3.396 -3.396 41 3HB ALA -4 HB2 ALA -4 2.329 -3.175 -3.175 42 H SER -3 HN SER -3 1.966 -0.766 -0.766 43 HA SER -3 HA SER -3 3.533 1.254 1.254 44 1HB SER -3 HB2 SER -3 1.442 2.160 2.160 45 2HB SER -3 HB1 SER -3 2.909 2.980 2.980 46 HG SER -3 HG SER -3 4.100 1.530 1.530 47 H VAL -2 HN VAL -2 0.163 0.844 0.844 48 HA VAL -2 HA VAL -2 -0.744 1.471 1.471 49 HB VAL -2 HB VAL -2 -2.950 1.943 1.943 50 1HG1 VAL -2 HG11 VAL -2 -0.474 3.414 3.414 51 2HG1 VAL -2 HG13 VAL -2 -2.108 4.007 4.007 52 3HG1 VAL -2 HG12 VAL -2 -1.524 3.823 3.823 53 1HG2 VAL -2 HG22 VAL -2 -2.052 0.434 0.434 54 2HG2 VAL -2 HG21 VAL -2 -3.278 1.683 1.683 55 3HG2 VAL -2 HG23 VAL -2 -1.592 2.025 2.025 56 H GLY -1 HN GLY -1 -2.262 0.094 0.094 57 1HA GLY -1 HA2 GLY -1 -3.860 -1.904 -1.904 58 2HA GLY -1 HA1 GLY -1 -2.334 -2.665 -2.665 59 H SER 0 HN SER 0 -3.786 -0.933 -0.933 60 HA SER 0 HA SER 0 -1.985 -2.253 -2.253 61 1HB SER 0 HB2 SER 0 -3.786 -1.221 -1.221 62 2HB SER 0 HB1 SER 0 -2.619 -0.180 -0.180 63 HG SER 0 HG SER 0 -4.208 0.693 0.693 64 H MET 1 HN MET 1 -2.862 -3.557 -3.557 65 HA MET 1 HA MET 1 -5.084 -5.321 -5.321 66 1HB MET 1 HB2 MET 1 -2.509 -5.879 -5.879 67 2HB MET 1 HB1 MET 1 -3.911 -6.871 -6.871 68 1HG MET 1 HG2 MET 1 -4.127 -7.725 -7.725 69 2HG MET 1 HG1 MET 1 -3.257 -6.378 -6.378 70 1HE MET 1 HE1 MET 1 -3.120 -9.396 -9.396 71 2HE MET 1 HE3 MET 1 -1.878 -8.564 -8.564 72 3HE MET 1 HE2 MET 1 -1.451 -9.958 -9.958 73 H GLU 2 HN GLU 2 -5.824 -6.581 -6.581 74 HA GLU 2 HA GLU 2 -6.342 -4.427 -4.427 75 1HB GLU 2 HB2 GLU 2 -8.202 -5.583 -5.583 76 2HB GLU 2 HB1 GLU 2 -8.511 -6.329 -6.329 77 1HG GLU 2 HG2 GLU 2 -9.001 -4.279 -4.279 78 2HG GLU 2 HG1 GLU 2 -8.155 -3.353 -3.353 79 H ALA 3 HN ALA 3 -7.308 -5.600 -5.600 80 HA ALA 3 HA ALA 3 -6.394 -8.336 -8.336 81 1HB ALA 3 HB1 ALA 3 -5.051 -5.993 -5.993 82 2HB ALA 3 HB3 ALA 3 -5.214 -7.466 -7.466 83 3HB ALA 3 HB2 ALA 3 -4.367 -7.508 -7.508 84 H ILE 4 HN ILE 4 -8.058 -9.232 -9.232 85 HA ILE 4 HA ILE 4 -10.196 -7.893 -7.893 86 HB ILE 4 HB ILE 4 -10.477 -10.076 -10.076 87 1HG1 ILE 4 HG12 ILE 4 -10.826 -10.855 -10.855 88 2HG1 ILE 4 HG11 ILE 4 -11.464 -9.252 -9.252 89 1HG2 ILE 4 HG22 ILE 4 -8.027 -10.659 -10.659 90 2HG2 ILE 4 HG21 ILE 4 -9.083 -11.506 -11.506 91 3HG2 ILE 4 HG23 ILE 4 -9.168 -11.863 -11.863 92 1HD1 ILE 4 HD13 ILE 4 -12.023 -11.540 -11.540 93 2HD1 ILE 4 HD12 ILE 4 -12.961 -11.333 -11.333 94 3HD1 ILE 4 HD11 ILE 4 -12.943 -10.061 -10.061 95 H ALA 5 HN ALA 5 -10.244 -6.897 -6.897 96 HA ALA 5 HA ALA 5 -8.238 -7.300 -7.300 97 1HB ALA 5 HB1 ALA 5 -10.879 -5.795 -5.795 98 2HB ALA 5 HB3 ALA 5 -9.891 -5.900 -5.900 99 3HB ALA 5 HB2 ALA 5 -9.250 -5.115 -5.115 100 H LYS 6 HN LYS 6 -8.311 -9.227 -9.227 101 HA LYS 6 HA LYS 6 -10.640 -10.905 -10.905 102 1HB LYS 6 HB2 LYS 6 -8.138 -11.015 -11.015 103 2HB LYS 6 HB1 LYS 6 -9.298 -12.322 -12.322 104 1HG LYS 6 HG2 LYS 6 -8.682 -12.618 -12.618 105 2HG LYS 6 HG1 LYS 6 -7.933 -11.025 -11.025 106 1HD LYS 6 HD2 LYS 6 -6.198 -12.729 -12.729 107 2HD LYS 6 HD1 LYS 6 -6.178 -11.782 -11.782 108 1HE LYS 6 HE2 LYS 6 -7.246 -13.513 -13.513 109 2HE LYS 6 HE1 LYS 6 -7.741 -14.361 -14.361 110 1HZ LYS 6 HZ1 LYS 6 -4.902 -13.939 -13.939 111 2HZ LYS 6 HZ3 LYS 6 -5.775 -15.316 -15.316 112 3HZ LYS 6 HZ2 LYS 6 -5.529 -14.985 -14.985 113 H TYR 7 HN TYR 7 -9.368 -8.395 -8.395 114 HA TYR 7 HA TYR 7 -11.763 -8.709 -8.709 115 1HB TYR 7 HB2 TYR 7 -9.075 -8.401 -8.401 116 2HB TYR 7 HB1 TYR 7 -10.592 -8.931 -8.931 117 HD1 TYR 7 HD2 TYR 7 -11.553 -11.190 -11.190 118 HD2 TYR 7 HD1 TYR 7 -7.531 -9.934 -9.934 119 HE1 TYR 7 HE2 TYR 7 -10.901 -13.548 -13.548 120 HE2 TYR 7 HE1 TYR 7 -6.867 -12.272 -12.272 121 HH TYR 7 HH TYR 7 -8.018 -14.705 -14.705 122 H ASP 8 HN ASP 8 -11.302 -6.947 -6.947 123 HA ASP 8 HA ASP 8 -11.203 -4.426 -4.426 124 1HB ASP 8 HB2 ASP 8 -12.355 -3.487 -3.487 125 2HB ASP 8 HB1 ASP 8 -13.087 -5.057 -5.057 126 H PHE 9 HN PHE 9 -10.091 -2.551 -2.551 127 HA PHE 9 HA PHE 9 -8.098 -2.707 -2.707 128 1HB PHE 9 HB2 PHE 9 -7.308 -4.133 -4.133 129 2HB PHE 9 HB1 PHE 9 -6.503 -2.577 -2.577 130 HD1 PHE 9 HD2 PHE 9 -7.382 -4.597 -4.597 131 HD2 PHE 9 HD1 PHE 9 -4.274 -2.810 -2.810 132 HE1 PHE 9 HE2 PHE 9 -5.696 -5.271 -5.271 133 HE2 PHE 9 HE1 PHE 9 -2.590 -3.481 -3.481 134 HZ PHE 9 HZ PHE 9 -3.303 -4.713 -4.713 135 H LYS 10 HN LYS 10 -6.312 -0.883 -0.883 136 HA LYS 10 HA LYS 10 -7.576 1.344 1.344 137 1HB LYS 10 HB2 LYS 10 -7.280 1.185 1.185 138 2HB LYS 10 HB1 LYS 10 -6.659 2.675 2.675 139 1HG LYS 10 HG2 LYS 10 -8.741 3.333 3.333 140 2HG LYS 10 HG1 LYS 10 -9.343 1.678 1.678 141 1HD LYS 10 HD2 LYS 10 -10.434 2.819 2.819 142 2HD LYS 10 HD1 LYS 10 -9.352 1.578 1.578 143 1HE LYS 10 HE2 LYS 10 -7.582 3.440 3.440 144 2HE LYS 10 HE1 LYS 10 -8.919 4.568 4.568 145 1HZ LYS 10 HZ2 LYS 10 -10.002 3.190 3.190 146 2HZ LYS 10 HZ1 LYS 10 -8.400 2.750 2.750 147 3HZ LYS 10 HZ3 LYS 10 -8.854 4.383 4.383 148 H ALA 11 HN ALA 11 -6.111 3.190 3.190 149 HA ALA 11 HA ALA 11 -3.596 2.301 2.301 150 1HB ALA 11 HB3 ALA 11 -5.049 4.461 4.461 151 2HB ALA 11 HB2 ALA 11 -3.992 5.176 5.176 152 3HB ALA 11 HB1 ALA 11 -3.299 4.456 4.456 153 H THR 12 HN THR 12 -1.609 2.222 2.222 154 HA THR 12 HA THR 12 -1.586 3.209 3.209 155 HB THR 12 HB THR 12 0.320 1.433 1.433 156 HG1 THR 12 HG1 THR 12 0.288 -0.118 -0.118 157 1HG2 THR 12 HG21 THR 12 -2.636 0.878 0.878 158 2HG2 THR 12 HG23 THR 12 -1.497 -0.370 -0.370 159 3HG2 THR 12 HG22 THR 12 -1.674 1.102 1.102 160 H ALA 13 HN ALA 13 -0.935 4.897 4.897 161 HA ALA 13 HA ALA 13 1.518 6.047 6.047 162 1HB ALA 13 HB3 ALA 13 1.765 4.411 4.411 163 2HB ALA 13 HB2 ALA 13 2.959 5.568 5.568 164 3HB ALA 13 HB1 ALA 13 2.616 4.106 4.106 165 H ASP 14 HN ASP 14 2.217 7.758 7.758 166 HA ASP 14 HA ASP 14 0.025 9.318 9.318 167 1HB ASP 14 HB2 ASP 14 2.376 9.931 9.931 168 2HB ASP 14 HB1 ASP 14 2.862 9.727 9.727 169 H ASP 15 HN ASP 15 1.777 6.836 6.836 170 HA ASP 15 HA ASP 15 0.581 7.631 7.631 171 1HB ASP 15 HB2 ASP 15 3.264 7.620 7.620 172 2HB ASP 15 HB1 ASP 15 3.010 5.981 5.981 173 H GLU 16 HN GLU 16 -0.541 5.871 5.871 174 HA GLU 16 HA GLU 16 -0.317 3.232 3.232 175 1HB GLU 16 HB2 GLU 16 0.133 3.590 3.590 176 2HB GLU 16 HB1 GLU 16 -1.615 3.604 3.604 177 1HG GLU 16 HG2 GLU 16 -1.748 1.384 1.384 178 2HG GLU 16 HG1 GLU 16 -0.705 1.433 1.433 179 H LEU 17 HN LEU 17 -2.541 1.988 1.988 180 HA LEU 17 HA LEU 17 -4.698 3.882 3.882 181 1HB LEU 17 HB2 LEU 17 -3.475 2.145 2.145 182 2HB LEU 17 HB1 LEU 17 -4.777 1.126 1.126 183 HG LEU 17 HG LEU 17 -5.192 3.893 3.893 184 1HD1 LEU 17 HD12 LEU 17 -5.384 1.128 1.128 185 2HD1 LEU 17 HD11 LEU 17 -6.176 2.543 2.543 186 3HD1 LEU 17 HD13 LEU 17 -4.422 2.493 2.493 187 1HD2 LEU 17 HD23 LEU 17 -7.029 1.661 1.661 188 2HD2 LEU 17 HD22 LEU 17 -7.010 3.337 3.337 189 3HD2 LEU 17 HD21 LEU 17 -7.572 2.950 2.950 190 H SER 18 HN SER 18 -6.571 3.748 3.748 191 HA SER 18 HA SER 18 -6.966 1.681 1.681 192 1HB SER 18 HB2 SER 18 -8.928 3.102 3.102 193 2HB SER 18 HB1 SER 18 -7.460 4.020 4.020 194 HG SER 18 HG SER 18 -9.474 4.711 4.711 195 H PHE 19 HN PHE 19 -9.026 0.405 0.405 196 HA PHE 19 HA PHE 19 -10.800 0.408 0.408 197 1HB PHE 19 HB2 PHE 19 -10.083 -1.739 -1.739 198 2HB PHE 19 HB1 PHE 19 -8.867 -0.476 -0.476 199 HD1 PHE 19 HD1 PHE 19 -6.775 -0.545 -0.545 200 HD2 PHE 19 HD2 PHE 19 -9.743 -3.621 -3.621 201 HE1 PHE 19 HE1 PHE 19 -5.118 -1.984 -1.984 202 HE2 PHE 19 HE2 PHE 19 -8.085 -5.061 -5.061 203 HZ PHE 19 HZ PHE 19 -5.774 -4.242 -4.242 204 H LYS 20 HN LYS 20 -12.097 -1.760 -1.760 205 HA LYS 20 HA LYS 20 -12.351 -2.752 -2.752 206 1HB LYS 20 HB2 LYS 20 -14.568 -2.277 -2.277 207 2HB LYS 20 HB1 LYS 20 -14.762 -2.809 -2.809 208 1HG LYS 20 HG2 LYS 20 -13.392 -0.232 -0.232 209 2HG LYS 20 HG1 LYS 20 -15.126 -0.328 -0.328 210 1HD LYS 20 HD2 LYS 20 -14.239 -1.625 -1.625 211 2HD LYS 20 HD1 LYS 20 -12.861 -0.559 -0.559 212 1HE LYS 20 HE2 LYS 20 -15.753 0.313 0.313 213 2HE LYS 20 HE1 LYS 20 -14.490 0.536 0.536 214 1HZ LYS 20 HZ1 LYS 20 -13.246 1.748 1.748 215 2HZ LYS 20 HZ3 LYS 20 -14.726 1.797 1.797 216 3HZ LYS 20 HZ2 LYS 20 -14.577 2.547 2.547 217 H ARG 21 HN ARG 21 -13.955 -4.756 -4.756 218 HA ARG 21 HA ARG 21 -12.548 -6.797 -6.797 219 1HB ARG 21 HB2 ARG 21 -13.666 -7.134 -7.134 220 2HB ARG 21 HB1 ARG 21 -15.225 -6.895 -6.895 221 1HG ARG 21 HG2 ARG 21 -14.994 -8.865 -8.865 222 2HG ARG 21 HG1 ARG 21 -13.268 -8.993 -8.993 223 1HD ARG 21 HD2 ARG 21 -13.631 -9.700 -9.700 224 2HD ARG 21 HD1 ARG 21 -15.233 -8.969 -8.969 225 HE ARG 21 HE ARG 21 -14.709 -11.669 -11.669 226 1HH1 ARG 21 HH21 ARG 21 -17.153 -9.452 -9.452 227 2HH1 ARG 21 HH22 ARG 21 -18.133 -10.088 -10.088 228 1HH2 ARG 21 HH11 ARG 21 -15.688 -12.257 -12.257 229 2HH2 ARG 21 HH12 ARG 21 -17.304 -11.673 -11.673 230 H GLY 22 HN GLY 22 -12.813 -7.071 -7.071 231 1HA GLY 22 HA2 GLY 22 -14.218 -7.768 -7.768 232 2HA GLY 22 HA1 GLY 22 -15.561 -6.889 -6.889 233 H ASP 23 HN ASP 23 -12.797 -4.979 -4.979 234 HA ASP 23 HA ASP 23 -13.646 -3.354 -3.354 235 1HB ASP 23 HB2 ASP 23 -12.821 -2.775 -2.775 236 2HB ASP 23 HB1 ASP 23 -11.482 -2.271 -2.271 237 H ILE 24 HN ILE 24 -12.709 -4.337 -4.337 238 HA ILE 24 HA ILE 24 -10.007 -5.340 -5.340 239 HB ILE 24 HB ILE 24 -11.483 -4.600 -4.600 240 1HG1 ILE 24 HG12 ILE 24 -11.944 -6.971 -6.971 241 2HG1 ILE 24 HG11 ILE 24 -13.145 -5.818 -5.818 242 1HG2 ILE 24 HG23 ILE 24 -9.011 -5.580 -5.580 243 2HG2 ILE 24 HG22 ILE 24 -9.889 -7.101 -7.101 244 3HG2 ILE 24 HG21 ILE 24 -9.994 -6.069 -6.069 245 1HD1 ILE 24 HD11 ILE 24 -12.829 -6.649 -6.649 246 2HD1 ILE 24 HD13 ILE 24 -11.665 -7.825 -7.825 247 3HD1 ILE 24 HD12 ILE 24 -13.354 -7.930 -7.930 248 H LEU 25 HN LEU 25 -8.154 -4.345 -4.345 249 HA LEU 25 HA LEU 25 -8.279 -1.399 -1.399 250 1HB LEU 25 HB2 LEU 25 -5.818 -3.130 -3.130 251 2HB LEU 25 HB1 LEU 25 -5.950 -1.394 -1.394 252 HG LEU 25 HG LEU 25 -6.022 -2.310 -2.310 253 1HD1 LEU 25 HD13 LEU 25 -7.853 -0.706 -0.706 254 2HD1 LEU 25 HD12 LEU 25 -8.931 -2.045 -2.045 255 3HD1 LEU 25 HD11 LEU 25 -8.275 -1.882 -1.882 256 1HD2 LEU 25 HD21 LEU 25 -6.687 -4.665 -4.665 257 2HD2 LEU 25 HD23 LEU 25 -6.825 -4.372 -4.372 258 3HD2 LEU 25 HD22 LEU 25 -8.249 -4.228 -4.228 259 H LYS 26 HN LYS 26 -6.919 -0.286 -0.286 260 HA LYS 26 HA LYS 26 -6.709 -1.913 -1.913 261 1HB LYS 26 HB2 LYS 26 -8.103 0.252 0.252 262 2HB LYS 26 HB1 LYS 26 -6.561 1.103 1.103 263 1HG LYS 26 HG2 LYS 26 -6.712 1.099 1.099 264 2HG LYS 26 HG1 LYS 26 -6.044 -0.524 -0.524 265 1HD LYS 26 HD2 LYS 26 -8.348 -1.447 -1.447 266 2HD LYS 26 HD1 LYS 26 -8.987 0.179 0.179 267 1HE LYS 26 HE2 LYS 26 -8.924 -0.754 -0.754 268 2HE LYS 26 HE1 LYS 26 -7.482 0.260 0.260 269 1HZ LYS 26 HZ1 LYS 26 -6.214 -1.731 -1.731 270 2HZ LYS 26 HZ3 LYS 26 -7.605 -2.676 -2.676 271 3HZ LYS 26 HZ2 LYS 26 -6.916 -1.873 -1.873 272 H VAL 27 HN VAL 27 -4.632 -2.843 -2.843 273 HA VAL 27 HA VAL 27 -2.369 -1.537 -1.537 274 HB VAL 27 HB VAL 27 -2.320 -3.645 -3.645 275 1HG1 VAL 27 HG12 VAL 27 -0.234 -2.238 -2.238 276 2HG1 VAL 27 HG11 VAL 27 -0.341 -3.572 -3.572 277 3HG1 VAL 27 HG13 VAL 27 -0.100 -3.906 -3.906 278 1HG2 VAL 27 HG23 VAL 27 -3.129 -3.723 -3.723 279 2HG2 VAL 27 HG22 VAL 27 -3.507 -4.846 -4.846 280 3HG2 VAL 27 HG21 VAL 27 -1.957 -4.959 -4.959 281 H LEU 28 HN LEU 28 -1.638 0.379 0.379 282 HA LEU 28 HA LEU 28 -1.620 1.051 1.051 283 1HB LEU 28 HB2 LEU 28 -0.358 2.851 2.851 284 2HB LEU 28 HB1 LEU 28 -1.254 3.278 3.278 285 HG LEU 28 HG LEU 28 -3.014 1.910 1.910 286 1HD1 LEU 28 HD13 LEU 28 -1.396 4.203 4.203 287 2HD1 LEU 28 HD12 LEU 28 -2.972 3.757 3.757 288 3HD1 LEU 28 HD11 LEU 28 -1.638 2.607 2.607 289 1HD2 LEU 28 HD23 LEU 28 -3.137 3.938 3.938 290 2HD2 LEU 28 HD22 LEU 28 -4.445 3.491 3.491 291 3HD2 LEU 28 HD21 LEU 28 -3.354 4.807 4.807 292 H ASN 29 HN ASN 29 0.518 0.181 0.181 293 HA ASN 29 HA ASN 29 2.685 -0.297 -0.297 294 1HB ASN 29 HB2 ASN 29 2.720 2.178 2.178 295 2HB ASN 29 HB1 ASN 29 3.418 1.422 1.422 296 1HD2 ASN 29 HD22 ASN 29 5.752 2.000 2.000 297 2HD2 ASN 29 HD21 ASN 29 4.213 2.697 2.697 298 H GLU 30 HN GLU 30 4.211 -1.792 -1.792 299 HA GLU 30 HA GLU 30 3.551 -3.024 -3.024 300 1HB GLU 30 HB2 GLU 30 3.661 -4.260 -4.260 301 2HB GLU 30 HB1 GLU 30 5.339 -4.445 -4.445 302 1HG GLU 30 HG2 GLU 30 4.612 -5.464 -5.464 303 2HG GLU 30 HG1 GLU 30 2.923 -5.233 -5.233 304 H GLU 31 HN GLU 31 4.901 -0.904 -0.904 305 HA GLU 31 HA GLU 31 7.806 -1.512 -1.512 306 1HB GLU 31 HB2 GLU 31 8.057 0.862 0.862 307 2HB GLU 31 HB1 GLU 31 7.284 0.693 0.693 308 1HG GLU 31 HG2 GLU 31 5.257 1.391 1.391 309 2HG GLU 31 HG1 GLU 31 5.482 0.643 0.643 310 H CYS 32 HN CYS 32 8.812 -0.415 -0.415 311 HA CYS 32 HA CYS 32 9.088 -0.624 -0.624 312 1HB CYS 32 HB2 CYS 32 6.475 0.208 0.208 313 2HB CYS 32 HB1 CYS 32 6.273 -1.289 -1.289 314 HG CYS 32 HG CYS 32 8.435 0.282 0.282 315 H ASP 33 HN ASP 33 7.981 -2.280 -2.280 316 HA ASP 33 HA ASP 33 9.214 -4.687 -4.687 317 1HB ASP 33 HB2 ASP 33 7.682 -3.621 -3.621 318 2HB ASP 33 HB1 ASP 33 6.514 -4.752 -4.752 319 H GLN 34 HN GLN 34 8.420 -6.901 -6.901 320 HA GLN 34 HA GLN 34 6.839 -7.005 -7.005 321 1HB GLN 34 HB2 GLN 34 7.530 -9.402 -9.402 322 2HB GLN 34 HB1 GLN 34 8.887 -8.274 -8.274 323 1HG GLN 34 HG2 GLN 34 9.463 -8.802 -8.802 324 2HG GLN 34 HG1 GLN 34 7.813 -9.211 -9.211 325 1HE2 GLN 34 HE22 GLN 34 9.074 -12.561 -12.561 326 2HE2 GLN 34 HE21 GLN 34 8.714 -11.276 -11.276 327 H ASN 35 HN ASN 35 5.738 -6.609 -6.609 328 HA ASN 35 HA ASN 35 3.776 -8.819 -8.819 329 1HB ASN 35 HB2 ASN 35 4.847 -7.271 -7.271 330 2HB ASN 35 HB1 ASN 35 3.434 -8.328 -8.328 331 1HD2 ASN 35 HD22 ASN 35 7.135 -10.037 -10.037 332 2HD2 ASN 35 HD21 ASN 35 6.890 -8.424 -8.424 333 H TRP 36 HN TRP 36 4.241 -5.437 -5.437 334 HA TRP 36 HA TRP 36 1.305 -5.020 -5.020 335 1HB TRP 36 HB2 TRP 36 3.383 -2.903 -2.903 336 2HB TRP 36 HB1 TRP 36 1.636 -2.765 -2.765 337 HD1 TRP 36 HD1 TRP 36 4.257 -5.380 -5.380 338 HE1 TRP 36 HE1 TRP 36 3.879 -5.690 -5.690 339 HE3 TRP 36 HE3 TRP 36 0.326 -2.133 -2.133 340 HZ2 TRP 36 HZ2 TRP 36 2.223 -4.710 -4.710 341 HZ3 TRP 36 HZ3 TRP 36 -0.569 -1.833 -1.833 342 HH2 TRP 36 HH2 TRP 36 0.357 -3.119 -3.119 343 H TYR 37 HN TYR 37 0.440 -3.756 -3.756 344 HA TYR 37 HA TYR 37 2.379 -3.112 -3.112 345 1HB TYR 37 HB2 TYR 37 -0.536 -3.674 -3.674 346 2HB TYR 37 HB1 TYR 37 0.809 -3.774 -3.774 347 HD1 TYR 37 HD2 TYR 37 2.761 -5.490 -5.490 348 HD2 TYR 37 HD1 TYR 37 -1.515 -5.685 -5.685 349 HE1 TYR 37 HE2 TYR 37 2.899 -7.929 -7.929 350 HE2 TYR 37 HE1 TYR 37 -1.402 -8.111 -8.111 351 HH TYR 37 HH TYR 37 1.610 -9.712 -9.712 352 H LYS 38 HN LYS 38 2.039 -1.172 -1.172 353 HA LYS 38 HA LYS 38 0.486 0.895 0.895 354 1HB LYS 38 HB2 LYS 38 2.622 1.401 1.401 355 2HB LYS 38 HB1 LYS 38 1.805 0.986 0.986 356 1HG LYS 38 HG2 LYS 38 0.007 2.729 2.729 357 2HG LYS 38 HG1 LYS 38 1.505 3.381 3.381 358 1HD LYS 38 HD2 LYS 38 2.035 2.736 2.736 359 2HD LYS 38 HD1 LYS 38 0.491 3.587 3.587 360 1HE LYS 38 HE2 LYS 38 1.711 5.243 5.243 361 2HE LYS 38 HE1 LYS 38 3.182 4.543 4.543 362 1HZ LYS 38 HZ2 LYS 38 2.261 5.045 5.045 363 2HZ LYS 38 HZ1 LYS 38 0.992 5.888 5.888 364 3HZ LYS 38 HZ3 LYS 38 2.590 6.427 6.427 365 H ALA 39 HN ALA 39 -1.611 1.522 1.522 366 HA ALA 39 HA ALA 39 -2.779 0.757 0.757 367 1HB ALA 39 HB3 ALA 39 -2.822 -1.362 -1.362 368 2HB ALA 39 HB2 ALA 39 -3.774 -0.558 -0.558 369 3HB ALA 39 HB1 ALA 39 -4.440 -0.760 -0.760 370 H GLU 40 HN GLU 40 -5.343 0.932 0.932 371 HA GLU 40 HA GLU 40 -5.828 3.303 3.303 372 1HB GLU 40 HB2 GLU 40 -5.588 4.784 4.784 373 2HB GLU 40 HB1 GLU 40 -4.884 3.490 3.490 374 1HG GLU 40 HG2 GLU 40 -7.080 3.021 3.021 375 2HG GLU 40 HG1 GLU 40 -7.854 4.191 4.191 376 H LEU 41 HN LEU 41 -7.762 3.533 3.533 377 HA LEU 41 HA LEU 41 -9.898 1.716 1.716 378 1HB LEU 41 HB2 LEU 41 -9.300 2.908 2.908 379 2HB LEU 41 HB1 LEU 41 -11.002 2.650 2.650 380 HG LEU 41 HG LEU 41 -8.978 0.520 0.520 381 1HD1 LEU 41 HD11 LEU 41 -10.232 1.412 1.412 382 2HD1 LEU 41 HD13 LEU 41 -9.996 -0.315 -0.315 383 3HD1 LEU 41 HD12 LEU 41 -8.611 0.779 0.779 384 1HD2 LEU 41 HD21 LEU 41 -11.295 0.480 0.480 385 2HD2 LEU 41 HD23 LEU 41 -10.943 -0.889 -0.889 386 3HD2 LEU 41 HD22 LEU 41 -11.926 0.451 0.451 387 H ASN 42 HN ASN 42 -10.703 2.683 2.683 388 HA ASN 42 HA ASN 42 -11.881 4.284 4.284 389 1HB ASN 42 HB2 ASN 42 -13.171 3.870 3.870 390 2HB ASN 42 HB1 ASN 42 -13.803 5.171 5.171 391 1HD2 ASN 42 HD22 ASN 42 -14.731 2.829 2.829 392 2HD2 ASN 42 HD21 ASN 42 -13.980 4.342 4.342 393 H GLY 43 HN GLY 43 -9.625 5.577 5.577 394 1HA GLY 43 HA2 GLY 43 -9.628 8.165 8.165 395 2HA GLY 43 HA1 GLY 43 -10.760 8.225 8.225 396 H LYS 44 HN LYS 44 -9.425 6.299 6.299 397 HA LYS 44 HA LYS 44 -7.246 7.963 7.963 398 1HB LYS 44 HB2 LYS 44 -8.868 5.729 5.729 399 2HB LYS 44 HB1 LYS 44 -7.237 6.003 6.003 400 1HG LYS 44 HG2 LYS 44 -7.740 8.042 8.042 401 2HG LYS 44 HG1 LYS 44 -8.975 8.389 8.389 402 1HD LYS 44 HD2 LYS 44 -9.299 6.297 6.297 403 2HD LYS 44 HD1 LYS 44 -9.903 7.949 7.949 404 1HE LYS 44 HE2 LYS 44 -11.634 7.563 7.563 405 2HE LYS 44 HE1 LYS 44 -10.645 6.594 6.594 406 1HZ LYS 44 HZ2 LYS 44 -10.734 4.834 4.834 407 2HZ LYS 44 HZ1 LYS 44 -11.982 5.745 5.745 408 3HZ LYS 44 HZ3 LYS 44 -12.175 5.114 5.114 409 H ASP 45 HN ASP 45 -5.391 6.564 6.564 410 HA ASP 45 HA ASP 45 -4.752 4.281 4.281 411 1HB ASP 45 HB2 ASP 45 -3.477 5.139 5.139 412 2HB ASP 45 HB1 ASP 45 -4.512 6.525 6.525 413 H GLY 46 HN GLY 46 -2.198 3.922 3.922 414 1HA GLY 46 HA2 GLY 46 -0.285 4.499 4.499 415 2HA GLY 46 HA1 GLY 46 -1.469 4.405 4.405 416 H PHE 47 HN PHE 47 0.694 2.803 2.803 417 HA PHE 47 HA PHE 47 0.637 0.240 0.240 418 1HB PHE 47 HB2 PHE 47 1.542 0.912 0.912 419 2HB PHE 47 HB1 PHE 47 2.037 -0.485 -0.485 420 HD1 PHE 47 HD1 PHE 47 3.110 0.028 0.028 421 HD2 PHE 47 HD2 PHE 47 2.806 2.882 2.882 422 HE1 PHE 47 HE1 PHE 47 4.920 1.376 1.376 423 HE2 PHE 47 HE2 PHE 47 4.617 4.227 4.227 424 HZ PHE 47 HZ PHE 47 5.673 3.473 3.473 425 H ILE 48 HN ILE 48 -0.099 -1.847 -1.847 426 HA ILE 48 HA ILE 48 -2.177 -1.621 -1.621 427 HB ILE 48 HB ILE 48 -3.620 -3.211 -3.211 428 1HG1 ILE 48 HG12 ILE 48 -2.343 -1.781 -1.781 429 2HG1 ILE 48 HG11 ILE 48 -1.571 -3.244 -3.244 430 1HG2 ILE 48 HG23 ILE 48 -3.662 -0.495 -0.495 431 2HG2 ILE 48 HG22 ILE 48 -3.687 -0.575 -0.575 432 3HG2 ILE 48 HG21 ILE 48 -4.931 -1.401 -1.401 433 1HD1 ILE 48 HD12 ILE 48 -4.474 -3.529 -3.529 434 2HD1 ILE 48 HD11 ILE 48 -3.654 -3.168 -3.168 435 3HD1 ILE 48 HD13 ILE 48 -3.177 -4.576 -4.576 436 HA PRO 49 HA PRO 49 0.204 -5.248 -5.248 437 1HB PRO 49 HB2 PRO 49 -1.369 -6.165 -6.165 438 2HB PRO 49 HB1 PRO 49 -0.144 -4.898 -4.898 439 1HG PRO 49 HG2 PRO 49 -3.135 -4.620 -4.620 440 2HG PRO 49 HG1 PRO 49 -1.975 -3.611 -3.611 441 1HD PRO 49 HD2 PRO 49 -3.071 -2.893 -2.893 442 2HD PRO 49 HD1 PRO 49 -1.566 -2.267 -2.267 443 H LYS 50 HN LYS 50 0.028 -6.765 -6.765 444 HA LYS 50 HA LYS 50 -2.265 -7.793 -7.793 445 1HB LYS 50 HB2 LYS 50 -0.008 -8.020 -8.020 446 2HB LYS 50 HB1 LYS 50 0.422 -9.058 -9.058 447 1HG LYS 50 HG2 LYS 50 -1.737 -10.395 -10.395 448 2HG LYS 50 HG1 LYS 50 -1.038 -9.695 -9.695 449 1HD LYS 50 HD2 LYS 50 0.452 -11.403 -11.403 450 2HD LYS 50 HD1 LYS 50 1.198 -10.574 -10.574 451 1HE LYS 50 HE2 LYS 50 0.743 -12.502 -12.502 452 2HE LYS 50 HE1 LYS 50 -0.911 -11.892 -11.892 453 1HZ LYS 50 HZ2 LYS 50 0.027 -13.426 -13.426 454 2HZ LYS 50 HZ1 LYS 50 -0.498 -14.229 -14.229 455 3HZ LYS 50 HZ3 LYS 50 -1.559 -13.204 -13.204 456 H ASN 51 HN ASN 51 -1.125 -8.602 -8.602 457 HA ASN 51 HA ASN 51 -2.084 -11.176 -11.176 458 1HB ASN 51 HB2 ASN 51 -1.467 -8.984 -8.984 459 2HB ASN 51 HB1 ASN 51 -2.409 -10.276 -10.276 460 1HD2 ASN 51 HD22 ASN 51 1.237 -11.416 -11.416 461 2HD2 ASN 51 HD21 ASN 51 0.254 -10.363 -10.363 462 H TYR 52 HN TYR 52 -3.702 -8.135 -8.135 463 HA TYR 52 HA TYR 52 -6.316 -9.419 -9.419 464 1HB TYR 52 HB2 TYR 52 -5.347 -6.555 -6.555 465 2HB TYR 52 HB1 TYR 52 -7.054 -6.944 -6.944 466 HD1 TYR 52 HD2 TYR 52 -3.976 -8.247 -8.247 467 HD2 TYR 52 HD1 TYR 52 -7.924 -6.675 -6.675 468 HE1 TYR 52 HE2 TYR 52 -3.842 -8.425 -8.425 469 HE2 TYR 52 HE1 TYR 52 -7.795 -6.824 -6.824 470 HH TYR 52 HH TYR 52 -6.343 -7.112 -7.112 471 H ILE 53 HN ILE 53 -4.910 -9.813 -9.813 472 HA ILE 53 HA ILE 53 -6.907 -8.930 -8.930 473 HB ILE 53 HB ILE 53 -4.337 -8.251 -8.251 474 1HG1 ILE 53 HG12 ILE 53 -5.415 -6.443 -6.443 475 2HG1 ILE 53 HG11 ILE 53 -3.990 -7.462 -7.462 476 1HG2 ILE 53 HG22 ILE 53 -6.664 -7.774 -7.774 477 2HG2 ILE 53 HG21 ILE 53 -6.735 -6.472 -6.472 478 3HG2 ILE 53 HG23 ILE 53 -5.490 -6.472 -6.472 479 1HD1 ILE 53 HD13 ILE 53 -3.436 -6.212 -6.212 480 2HD1 ILE 53 HD12 ILE 53 -4.355 -4.961 -4.961 481 3HD1 ILE 53 HD11 ILE 53 -2.901 -5.624 -5.624 482 H GLU 54 HN GLU 54 -6.206 -9.597 -9.597 483 HA GLU 54 HA GLU 54 -4.412 -11.797 -11.797 484 1HB GLU 54 HB2 GLU 54 -7.240 -12.191 -12.191 485 2HB GLU 54 HB1 GLU 54 -6.643 -12.697 -12.697 486 1HG GLU 54 HG2 GLU 54 -5.108 -14.243 -14.243 487 2HG GLU 54 HG1 GLU 54 -5.324 -13.559 -13.559 488 H MET 55 HN MET 55 -3.944 -12.260 -12.260 489 HA MET 55 HA MET 55 -4.063 -9.766 -9.766 490 1HB MET 55 HB2 MET 55 -2.049 -11.460 -11.460 491 2HB MET 55 HB1 MET 55 -2.716 -12.197 -12.197 492 1HG MET 55 HG2 MET 55 -2.704 -9.848 -9.848 493 2HG MET 55 HG1 MET 55 -1.702 -9.373 -9.373 494 1HE MET 55 HE1 MET 55 -2.019 -10.172 -10.172 495 2HE MET 55 HE3 MET 55 -0.448 -10.683 -10.683 496 3HE MET 55 HE2 MET 55 -1.630 -11.885 -11.885 497 H LYS 56 HN LYS 56 -5.928 -9.494 -9.494 498 HA LYS 56 HA LYS 56 -6.872 -11.733 -11.733 499 1HB LYS 56 HB2 LYS 56 -8.155 -9.423 -9.423 500 2HB LYS 56 HB1 LYS 56 -8.806 -9.982 -9.982 501 1HG LYS 56 HG2 LYS 56 -8.574 -12.353 -12.353 502 2HG LYS 56 HG1 LYS 56 -8.621 -11.411 -11.411 503 1HD LYS 56 HD2 LYS 56 -10.708 -11.321 -11.321 504 2HD LYS 56 HD1 LYS 56 -10.892 -12.162 -12.162 505 1HE LYS 56 HE2 LYS 56 -10.164 -9.623 -9.623 506 2HE LYS 56 HE1 LYS 56 -11.163 -9.301 -9.301 507 1HZ LYS 56 HZ3 LYS 56 -12.148 -11.290 -11.290 508 2HZ LYS 56 HZ2 LYS 56 -12.192 -9.667 -9.667 509 3HZ LYS 56 HZ1 LYS 56 -13.002 -10.148 -10.148 510 HA PRO 57 HA PRO 57 -5.673 -9.787 -9.787 511 1HB PRO 57 HB2 PRO 57 -7.422 -10.860 -10.860 512 2HB PRO 57 HB1 PRO 57 -6.021 -11.719 -11.719 513 1HG PRO 57 HG2 PRO 57 -8.883 -12.016 -12.016 514 2HG PRO 57 HG1 PRO 57 -7.578 -13.177 -13.177 515 1HD PRO 57 HD2 PRO 57 -8.698 -11.690 -11.690 516 2HD PRO 57 HD1 PRO 57 -7.184 -12.620 -12.620 517 H HIS 58 HN HIS 58 -9.137 -10.055 -10.055 518 HA HIS 58 HA HIS 58 -9.817 -7.329 -7.329 519 1HB HIS 58 HB2 HIS 58 -8.463 -7.854 -7.854 520 2HB HIS 58 HB1 HIS 58 -10.085 -7.227 -7.227 521 HD1 HIS 58 HD1 HIS 58 -10.658 -4.884 -4.884 522 HD2 HIS 58 HD2 HIS 58 -6.631 -5.960 -5.960 523 HE1 HIS 58 HE1 HIS 58 -9.365 -2.777 -2.777 524 HA PRO 59 HA PRO 59 -13.531 -9.839 -9.839 525 1HB PRO 59 HB2 PRO 59 -15.276 -8.164 -8.164 526 2HB PRO 59 HB1 PRO 59 -14.227 -9.325 -9.325 527 1HG PRO 59 HG2 PRO 59 -13.959 -6.357 -6.357 528 2HG PRO 59 HG1 PRO 59 -13.364 -7.457 -7.457 529 1HD PRO 59 HD2 PRO 59 -11.808 -6.316 -6.316 530 2HD PRO 59 HD1 PRO 59 -11.318 -7.656 -7.656 531 H GLU 60 HN GLU 60 -16.029 -8.733 -8.733 532 HA GLU 60 HA GLU 60 -15.824 -7.790 -7.790 533 1HB GLU 60 HB2 GLU 60 -17.786 -9.037 -9.037 534 2HB GLU 60 HB1 GLU 60 -18.253 -7.487 -7.487 535 1HG GLU 60 HG2 GLU 60 -18.072 -6.576 -6.576 536 2HG GLU 60 HG1 GLU 60 -18.131 -8.272 -8.272 537 H PHE 61 HN PHE 61 -16.161 -5.699 -5.699 538 HA PHE 61 HA PHE 61 -15.418 -3.505 -3.505 539 1HB PHE 61 HB2 PHE 61 -15.593 -2.124 -2.124 540 2HB PHE 61 HB1 PHE 61 -14.501 -3.499 -3.499 541 HD1 PHE 61 HD1 PHE 61 -18.031 -2.440 -2.440 542 HD2 PHE 61 HD2 PHE 61 -14.832 -5.109 -5.109 543 HE1 PHE 61 HE1 PHE 61 -19.361 -3.288 -3.288 544 HE2 PHE 61 HE2 PHE 61 -16.163 -5.959 -5.959 545 HZ PHE 61 HZ PHE 61 -18.428 -5.048 -5.048 546 H ILE 62 HN ILE 62 -16.739 -1.405 -1.405 547 HA ILE 62 HA ILE 62 -19.392 -1.876 -1.876 548 HB ILE 62 HB ILE 62 -18.274 0.712 0.712 549 1HG1 ILE 62 HG12 ILE 62 -18.078 0.847 0.847 550 2HG1 ILE 62 HG11 ILE 62 -17.634 -0.830 -0.830 551 1HG2 ILE 62 HG22 ILE 62 -20.825 0.216 0.216 552 2HG2 ILE 62 HG21 ILE 62 -20.164 0.589 0.589 553 3HG2 ILE 62 HG23 ILE 62 -20.050 1.774 1.774 554 1HD1 ILE 62 HD13 ILE 62 -16.249 0.508 0.508 555 2HD1 ILE 62 HD12 ILE 62 -16.174 1.650 1.650 556 3HD1 ILE 62 HD11 ILE 62 -15.565 0.008 0.008 557 H VAL 63 HN VAL 63 -21.140 -2.433 -2.433 558 HA VAL 63 HA VAL 63 -21.299 -1.429 -1.429 559 HB VAL 63 HB VAL 63 -20.833 -3.859 -3.859 560 1HG1 VAL 63 HG12 VAL 63 -22.394 -3.884 -3.884 561 2HG1 VAL 63 HG11 VAL 63 -23.479 -4.593 -4.593 562 3HG1 VAL 63 HG13 VAL 63 -21.900 -5.319 -5.319 563 1HG2 VAL 63 HG21 VAL 63 -23.325 -2.694 -2.694 564 2HG2 VAL 63 HG23 VAL 63 -22.044 -3.592 -3.592 565 3HG2 VAL 63 HG22 VAL 63 -23.298 -4.455 -4.455 566 H THR 64 HN THR 64 -22.445 0.368 0.368 567 HA THR 64 HA THR 64 -25.108 -0.267 -0.267 568 HB THR 64 HB THR 64 -25.245 2.343 2.343 569 HG1 THR 64 HG1 THR 64 -23.592 3.241 3.241 570 1HG2 THR 64 HG21 THR 64 -23.258 0.786 0.786 571 2HG2 THR 64 HG23 THR 64 -23.759 2.438 2.438 572 3HG2 THR 64 HG22 THR 64 -24.944 1.132 1.132 573 H ASP 65 HN ASP 65 -23.785 1.373 1.373 574 HA ASP 65 HA ASP 65 -26.168 0.589 0.589 575 1HB ASP 65 HB2 ASP 65 -26.409 2.961 2.961 576 2HB ASP 65 HB1 ASP 65 -25.548 3.496 3.496 577 1H SER 1 HT3 SER 1 -5.884 -18.760 -18.760 578 2H SER 1 HT2 SER 1 -4.726 -19.381 -19.381 579 3H SER 1 HT1 SER 1 -4.673 -17.745 -17.745 580 HA SER 1 HA SER 1 -5.579 -17.800 -17.800 581 1HB SER 1 HB2 SER 1 -7.528 -19.200 -19.200 582 2HB SER 1 HB1 SER 1 -6.198 -20.204 -20.204 583 HG SER 1 HG SER 1 -8.411 -20.509 -20.509 584 HA PRO 2 HA PRO 2 -8.212 -15.002 -15.002 585 1HB PRO 2 HB2 PRO 2 -7.178 -12.659 -12.659 586 2HB PRO 2 HB1 PRO 2 -6.497 -13.512 -13.512 587 1HG PRO 2 HG2 PRO 2 -5.440 -13.341 -13.341 588 2HG PRO 2 HG1 PRO 2 -4.568 -13.640 -13.640 589 1HD PRO 2 HD2 PRO 2 -5.313 -15.604 -15.604 590 2HD PRO 2 HD1 PRO 2 -4.696 -15.913 -15.913 591 H LEU 3 HN LEU 3 -7.306 -13.442 -13.442 592 HA LEU 3 HA LEU 3 -9.532 -14.292 -14.292 593 1HB LEU 3 HB2 LEU 3 -10.477 -12.745 -12.745 594 2HB LEU 3 HB1 LEU 3 -10.105 -11.494 -11.494 595 HG LEU 3 HG LEU 3 -11.622 -13.966 -13.966 596 1HD1 LEU 3 HD11 LEU 3 -12.729 -12.837 -12.837 597 2HD1 LEU 3 HD13 LEU 3 -12.903 -11.404 -11.404 598 3HD1 LEU 3 HD12 LEU 3 -13.710 -12.905 -12.905 599 1HD2 LEU 3 HD21 LEU 3 -11.010 -11.256 -11.256 600 2HD2 LEU 3 HD23 LEU 3 -11.153 -12.798 -12.798 601 3HD2 LEU 3 HD22 LEU 3 -12.604 -11.917 -11.917 602 H LEU 4 HN LEU 4 -8.143 -11.045 -11.045 603 HA LEU 4 HA LEU 4 -6.657 -11.195 -11.195 604 1HB LEU 4 HB2 LEU 4 -9.025 -9.447 -9.447 605 2HB LEU 4 HB1 LEU 4 -7.677 -8.759 -8.759 606 HG LEU 4 HG LEU 4 -8.959 -11.409 -11.409 607 1HD1 LEU 4 HD11 LEU 4 -9.470 -8.654 -8.654 608 2HD1 LEU 4 HD13 LEU 4 -10.111 -10.167 -10.167 609 3HD1 LEU 4 HD12 LEU 4 -10.616 -9.597 -9.597 610 1HD2 LEU 4 HD23 LEU 4 -6.533 -10.429 -10.429 611 2HD2 LEU 4 HD22 LEU 4 -7.516 -11.452 -11.452 612 3HD2 LEU 4 HD21 LEU 4 -7.547 -9.701 -9.701 613 HA PRO 5 HA PRO 5 -4.310 -8.925 -8.925 614 1HB PRO 5 HB2 PRO 5 -1.836 -9.843 -9.843 615 2HB PRO 5 HB1 PRO 5 -2.904 -10.713 -10.713 616 1HG PRO 5 HG2 PRO 5 -2.296 -11.310 -11.310 617 2HG PRO 5 HG1 PRO 5 -2.803 -12.412 -12.412 618 1HD PRO 5 HD2 PRO 5 -4.474 -11.371 -11.371 619 2HD PRO 5 HD1 PRO 5 -5.018 -12.194 -12.194 620 H LYS 6 HN LYS 6 -2.373 -7.367 -7.367 621 HA LYS 6 HA LYS 6 -2.917 -5.570 -5.570 622 1HB LYS 6 HB2 LYS 6 -1.924 -4.835 -4.835 623 2HB LYS 6 HB1 LYS 6 -0.461 -5.750 -5.750 624 1HG LYS 6 HG2 LYS 6 -0.489 -4.313 -4.313 625 2HG LYS 6 HG1 LYS 6 -1.463 -3.220 -3.220 626 1HD LYS 6 HD2 LYS 6 0.419 -2.425 -2.425 627 2HD LYS 6 HD1 LYS 6 0.730 -4.022 -4.022 628 1HE LYS 6 HE2 LYS 6 2.666 -3.609 -3.609 629 2HE LYS 6 HE1 LYS 6 1.683 -4.582 -4.582 630 1HZ LYS 6 HZ3 LYS 6 0.793 -2.326 -2.326 631 2HZ LYS 6 HZ2 LYS 6 2.175 -1.675 -1.675 632 3HZ LYS 6 HZ1 LYS 6 2.336 -2.804 -2.804 633 H LEU 7 HN LEU 7 0.492 -6.550 -6.550 634 HA LEU 7 HA LEU 7 0.690 -8.312 -8.312 635 1HB LEU 7 HB2 LEU 7 0.211 -5.548 -5.548 636 2HB LEU 7 HB1 LEU 7 1.764 -6.113 -6.113 637 HG LEU 7 HG LEU 7 -0.655 -7.875 -7.875 638 1HD1 LEU 7 HD11 LEU 7 -1.017 -5.429 -5.429 639 2HD1 LEU 7 HD13 LEU 7 0.074 -5.931 -5.931 640 3HD1 LEU 7 HD12 LEU 7 -1.443 -6.792 -6.792 641 1HD2 LEU 7 HD21 LEU 7 1.854 -7.421 -7.421 642 2HD2 LEU 7 HD23 LEU 7 1.557 -8.775 -8.775 643 3HD2 LEU 7 HD22 LEU 7 0.598 -8.599 -8.599 644 HA PRO 8 HA PRO 8 4.587 -7.496 -7.496 645 1HB PRO 8 HB2 PRO 8 5.114 -10.122 -10.122 646 2HB PRO 8 HB1 PRO 8 4.108 -9.070 -9.070 647 1HG PRO 8 HG2 PRO 8 3.266 -11.291 -11.291 648 2HG PRO 8 HG1 PRO 8 2.438 -10.626 -10.626 649 1HD PRO 8 HD2 PRO 8 1.815 -10.073 -10.073 650 2HD PRO 8 HD1 PRO 8 1.172 -9.227 -9.227 651 HA PRO 9 HA PRO 9 6.947 -8.696 -8.696 652 1HB PRO 9 HB2 PRO 9 9.449 -7.974 -7.974 653 2HB PRO 9 HB1 PRO 9 8.239 -6.809 -6.809 654 1HG PRO 9 HG2 PRO 9 9.134 -7.372 -7.372 655 2HG PRO 9 HG1 PRO 9 8.425 -5.895 -5.895 656 1HD PRO 9 HD2 PRO 9 7.064 -7.850 -7.850 657 2HD PRO 9 HD1 PRO 9 6.315 -6.519 -6.519 658 H LYS 10 HN LYS 10 6.759 -11.016 -11.016 659 HA LYS 10 HA LYS 10 7.541 -13.212 -13.212 660 1HB LYS 10 HB2 LYS 10 10.158 -11.841 -11.841 661 2HB LYS 10 HB1 LYS 10 9.953 -13.510 -13.510 662 1HG LYS 10 HG2 LYS 10 9.229 -12.822 -12.822 663 2HG LYS 10 HG1 LYS 10 9.066 -11.143 -11.143 664 1HD LYS 10 HD2 LYS 10 11.322 -10.742 -10.742 665 2HD LYS 10 HD1 LYS 10 11.740 -12.390 -12.390 666 1HE LYS 10 HE2 LYS 10 12.362 -12.273 -12.273 667 2HE LYS 10 HE1 LYS 10 10.790 -13.073 -13.073 668 1HZ LYS 10 HZ2 LYS 10 9.902 -10.675 -10.675 669 2HZ LYS 10 HZ1 LYS 10 11.478 -10.307 -10.307 670 3HZ LYS 10 HZ3 LYS 10 10.550 -11.440 -11.440 671 H THR 11 HN THR 11 9.409 -14.232 -14.232 672 HA THR 11 HA THR 11 8.657 -13.164 -13.164 673 HB THR 11 HB THR 11 6.607 -14.371 -14.371 674 HG1 THR 11 HG1 THR 11 6.926 -14.676 -14.676 675 1HG2 THR 11 HG22 THR 11 7.858 -15.926 -15.926 676 2HG2 THR 11 HG21 THR 11 8.231 -16.904 -16.904 677 3HG2 THR 11 HG23 THR 11 6.551 -16.635 -16.635 678 H TYR 12 HN TYR 12 9.963 -16.040 -16.040 679 HA TYR 12 HA TYR 12 12.138 -16.089 -16.089 680 1HB TYR 12 HB2 TYR 12 10.277 -17.883 -17.883 681 2HB TYR 12 HB1 TYR 12 11.009 -18.627 -18.627 682 HD1 TYR 12 HD1 TYR 12 11.524 -17.692 -17.692 683 HD2 TYR 12 HD2 TYR 12 13.235 -19.606 -19.606 684 HE1 TYR 12 HE1 TYR 12 13.292 -18.681 -18.681 685 HE2 TYR 12 HE2 TYR 12 15.004 -20.596 -20.596 686 HH TYR 12 HH TYR 12 14.835 -20.911 -20.911 687 H LYS 13 HN LYS 13 14.007 -15.735 -15.735 688 HA LYS 13 HA LYS 13 15.151 -17.398 -17.398 689 1HB LYS 13 HB2 LYS 13 15.048 -15.938 -15.938 690 2HB LYS 13 HB1 LYS 13 13.524 -16.715 -16.715 691 1HG LYS 13 HG2 LYS 13 12.489 -14.736 -14.736 692 2HG LYS 13 HG1 LYS 13 13.863 -14.101 -14.101 693 1HD LYS 13 HD2 LYS 13 13.559 -12.764 -12.764 694 2HD LYS 13 HD1 LYS 13 15.045 -13.699 -13.699 695 1HE LYS 13 HE2 LYS 13 13.392 -15.476 -15.476 696 2HE LYS 13 HE1 LYS 13 12.442 -14.029 -14.029 697 1HZ LYS 13 HZ3 LYS 13 15.310 -14.345 -14.345 698 2HZ LYS 13 HZ2 LYS 13 14.028 -14.593 -14.593 699 3HZ LYS 13 HZ1 LYS 13 14.298 -13.052 -13.052 700 H ARG 14 HN ARG 14 14.896 -14.127 -14.127 701 HA ARG 14 HA ARG 14 17.840 -14.024 -14.024 702 1HB ARG 14 HB2 ARG 14 17.265 -12.941 -12.941 703 2HB ARG 14 HB1 ARG 14 16.264 -11.784 -11.784 704 1HG ARG 14 HG2 ARG 14 18.305 -11.171 -11.171 705 2HG ARG 14 HG1 ARG 14 19.257 -12.177 -12.177 706 1HD ARG 14 HD2 ARG 14 19.003 -10.729 -10.729 707 2HD ARG 14 HD1 ARG 14 17.449 -10.126 -10.126 708 HE ARG 14 HE ARG 14 19.872 -9.398 -9.398 709 1HH1 ARG 14 HH21 ARG 14 18.132 -7.635 -7.635 710 2HH1 ARG 14 HH22 ARG 14 17.938 -6.349 -6.349 711 1HH2 ARG 14 HH11 ARG 14 19.278 -8.145 -8.145 712 2HH2 ARG 14 HH12 ARG 14 18.587 -6.638 -6.638 713 H GLU 15 HN GLU 15 14.771 -12.284 -12.284 714 HA GLU 15 HA GLU 15 15.841 -11.525 -11.525 715 1HB GLU 15 HB2 GLU 15 15.612 -9.578 -9.578 716 2HB GLU 15 HB1 GLU 15 13.886 -9.925 -9.925 717 1HG GLU 15 HG2 GLU 15 13.877 -9.781 -9.781 718 2HG GLU 15 HG1 GLU 15 15.468 -9.035 -9.035 Start of MODEL 23 1 1H GLY -8 HT2 GLY -8 -1.206 -12.688 -12.688 2 2H GLY -8 HT1 GLY -8 -1.403 -13.595 -13.595 3 3H GLY -8 HT3 GLY -8 -1.777 -14.286 -14.286 4 1HA GLY -8 HA1 GLY -8 0.476 -14.457 -14.457 5 2HA GLY -8 HA2 GLY -8 0.460 -15.024 -15.024 6 H SER -7 HN SER -7 2.524 -13.948 -13.948 7 HA SER -7 HA SER -7 3.836 -12.281 -12.281 8 1HB SER -7 HB2 SER -7 4.935 -13.945 -13.945 9 2HB SER -7 HB1 SER -7 4.771 -12.670 -12.670 10 HG SER -7 HG SER -7 6.414 -11.721 -11.721 11 H ARG -6 HN ARG -6 4.230 -10.057 -10.057 12 HA ARG -6 HA ARG -6 2.434 -8.532 -8.532 13 1HB ARG -6 HB2 ARG -6 4.010 -7.969 -7.969 14 2HB ARG -6 HB1 ARG -6 3.706 -6.612 -6.612 15 1HG ARG -6 HG2 ARG -6 1.678 -6.433 -6.433 16 2HG ARG -6 HG1 ARG -6 1.235 -7.907 -7.907 17 1HD ARG -6 HD2 ARG -6 0.901 -8.816 -8.816 18 2HD ARG -6 HD1 ARG -6 2.658 -8.863 -8.863 19 HE ARG -6 HE ARG -6 1.225 -6.402 -6.402 20 1HH1 ARG -6 HH21 ARG -6 1.623 -9.312 -9.312 21 2HH1 ARG -6 HH22 ARG -6 2.699 -8.791 -8.791 22 1HH2 ARG -6 HH11 ARG -6 3.254 -5.670 -5.670 23 2HH2 ARG -6 HH12 ARG -6 3.622 -6.730 -6.730 24 H ARG -5 HN ARG -5 3.249 -6.754 -6.754 25 HA ARG -5 HA ARG -5 6.142 -6.950 -6.950 26 1HB ARG -5 HB2 ARG -5 4.713 -8.281 -8.281 27 2HB ARG -5 HB1 ARG -5 3.923 -6.768 -6.768 28 1HG ARG -5 HG2 ARG -5 6.405 -5.929 -5.929 29 2HG ARG -5 HG1 ARG -5 6.742 -7.653 -7.653 30 1HD ARG -5 HD2 ARG -5 6.282 -6.844 -6.844 31 2HD ARG -5 HD1 ARG -5 4.849 -7.736 -7.736 32 HE ARG -5 HE ARG -5 4.122 -5.257 -5.257 33 1HH1 ARG -5 HH21 ARG -5 5.603 -3.452 -3.452 34 2HH1 ARG -5 HH22 ARG -5 5.080 -3.474 -3.474 35 1HH2 ARG -5 HH11 ARG -5 3.507 -6.553 -6.553 36 2HH2 ARG -5 HH12 ARG -5 3.893 -5.229 -5.229 37 H ALA -4 HN ALA -4 3.174 -5.125 -5.125 38 HA ALA -4 HA ALA -4 4.345 -2.624 -2.624 39 1HB ALA -4 HB3 ALA -4 4.260 -3.303 -3.303 40 2HB ALA -4 HB2 ALA -4 3.989 -1.634 -1.634 41 3HB ALA -4 HB1 ALA -4 5.503 -2.443 -2.443 42 H SER -3 HN SER -3 2.064 -3.712 -3.712 43 HA SER -3 HA SER -3 -0.195 -2.497 -2.497 44 1HB SER -3 HB2 SER -3 -1.533 -3.731 -3.731 45 2HB SER -3 HB1 SER -3 -0.743 -4.707 -4.707 46 HG SER -3 HG SER -3 0.623 -5.433 -5.433 47 H VAL -2 HN VAL -2 -0.093 -0.307 -0.307 48 HA VAL -2 HA VAL -2 0.495 0.701 0.701 49 HB VAL -2 HB VAL -2 -1.056 2.066 2.066 50 1HG1 VAL -2 HG11 VAL -2 -1.125 3.140 3.140 51 2HG1 VAL -2 HG13 VAL -2 0.637 3.206 3.206 52 3HG1 VAL -2 HG12 VAL -2 -0.289 4.124 4.124 53 1HG2 VAL -2 HG22 VAL -2 1.884 1.606 1.606 54 2HG2 VAL -2 HG21 VAL -2 0.965 1.476 1.476 55 3HG2 VAL -2 HG23 VAL -2 1.340 3.065 3.065 56 H GLY -1 HN GLY -1 -0.843 -0.087 -0.087 57 1HA GLY -1 HA2 GLY -1 -3.480 1.007 1.007 58 2HA GLY -1 HA1 GLY -1 -3.585 -0.693 -0.693 59 H SER 0 HN SER 0 -4.096 -1.767 -1.767 60 HA SER 0 HA SER 0 -2.190 -2.059 -2.059 61 1HB SER 0 HB2 SER 0 -4.054 -1.066 -1.066 62 2HB SER 0 HB1 SER 0 -2.701 -0.111 -0.111 63 HG SER 0 HG SER 0 -5.022 0.673 0.673 64 H MET 1 HN MET 1 -3.110 -3.434 -3.434 65 HA MET 1 HA MET 1 -5.386 -5.082 -5.082 66 1HB MET 1 HB2 MET 1 -2.818 -5.781 -5.781 67 2HB MET 1 HB1 MET 1 -4.239 -6.762 -6.762 68 1HG MET 1 HG2 MET 1 -3.143 -7.783 -7.783 69 2HG MET 1 HG1 MET 1 -4.615 -7.013 -7.013 70 1HE MET 1 HE1 MET 1 -4.036 -7.211 -7.211 71 2HE MET 1 HE3 MET 1 -3.071 -6.073 -6.073 72 3HE MET 1 HE2 MET 1 -2.325 -7.520 -7.520 73 H GLU 2 HN GLU 2 -6.085 -6.461 -6.461 74 HA GLU 2 HA GLU 2 -6.615 -4.337 -4.337 75 1HB GLU 2 HB2 GLU 2 -8.469 -5.556 -5.556 76 2HB GLU 2 HB1 GLU 2 -8.711 -6.328 -6.328 77 1HG GLU 2 HG2 GLU 2 -9.226 -4.292 -4.292 78 2HG GLU 2 HG1 GLU 2 -8.494 -3.334 -3.334 79 H ALA 3 HN ALA 3 -7.513 -5.560 -5.560 80 HA ALA 3 HA ALA 3 -6.478 -8.251 -8.251 81 1HB ALA 3 HB1 ALA 3 -5.159 -5.850 -5.850 82 2HB ALA 3 HB3 ALA 3 -5.258 -7.292 -7.292 83 3HB ALA 3 HB2 ALA 3 -4.461 -7.374 -7.374 84 H ILE 4 HN ILE 4 -8.083 -9.185 -9.185 85 HA ILE 4 HA ILE 4 -10.207 -7.897 -7.897 86 HB ILE 4 HB ILE 4 -10.521 -10.058 -10.058 87 1HG1 ILE 4 HG12 ILE 4 -10.613 -11.027 -11.027 88 2HG1 ILE 4 HG11 ILE 4 -11.270 -9.398 -9.398 89 1HG2 ILE 4 HG21 ILE 4 -8.007 -10.612 -10.612 90 2HG2 ILE 4 HG23 ILE 4 -9.199 -11.879 -11.879 91 3HG2 ILE 4 HG22 ILE 4 -8.766 -11.437 -11.437 92 1HD1 ILE 4 HD12 ILE 4 -12.029 -11.735 -11.735 93 2HD1 ILE 4 HD11 ILE 4 -12.961 -11.161 -11.161 94 3HD1 ILE 4 HD13 ILE 4 -12.742 -10.122 -10.122 95 H ALA 5 HN ALA 5 -10.220 -6.918 -6.918 96 HA ALA 5 HA ALA 5 -8.138 -7.297 -7.297 97 1HB ALA 5 HB2 ALA 5 -10.816 -5.842 -5.842 98 2HB ALA 5 HB1 ALA 5 -9.645 -5.847 -5.847 99 3HB ALA 5 HB3 ALA 5 -9.225 -5.107 -5.107 100 H LYS 6 HN LYS 6 -8.189 -9.236 -9.236 101 HA LYS 6 HA LYS 6 -10.534 -10.882 -10.882 102 1HB LYS 6 HB2 LYS 6 -7.976 -11.023 -11.023 103 2HB LYS 6 HB1 LYS 6 -9.162 -12.314 -12.314 104 1HG LYS 6 HG2 LYS 6 -8.620 -12.642 -12.642 105 2HG LYS 6 HG1 LYS 6 -7.890 -11.044 -11.044 106 1HD LYS 6 HD2 LYS 6 -6.132 -12.720 -12.720 107 2HD LYS 6 HD1 LYS 6 -6.069 -11.766 -11.766 108 1HE LYS 6 HE2 LYS 6 -6.842 -13.511 -13.511 109 2HE LYS 6 HE1 LYS 6 -7.740 -14.251 -14.251 110 1HZ LYS 6 HZ1 LYS 6 -5.479 -14.712 -14.712 111 2HZ LYS 6 HZ3 LYS 6 -4.830 -14.336 -14.336 112 3HZ LYS 6 HZ2 LYS 6 -5.911 -15.637 -15.637 113 H TYR 7 HN TYR 7 -9.157 -8.378 -8.378 114 HA TYR 7 HA TYR 7 -11.473 -8.722 -8.722 115 1HB TYR 7 HB2 TYR 7 -8.729 -8.240 -8.240 116 2HB TYR 7 HB1 TYR 7 -10.172 -8.789 -8.789 117 HD1 TYR 7 HD1 TYR 7 -11.159 -11.086 -11.086 118 HD2 TYR 7 HD2 TYR 7 -7.102 -9.780 -9.780 119 HE1 TYR 7 HE1 TYR 7 -10.442 -13.439 -13.439 120 HE2 TYR 7 HE2 TYR 7 -6.377 -12.117 -12.117 121 HH TYR 7 HH TYR 7 -8.016 -14.427 -14.427 122 H ASP 8 HN ASP 8 -11.057 -6.862 -6.862 123 HA ASP 8 HA ASP 8 -11.060 -4.388 -4.388 124 1HB ASP 8 HB2 ASP 8 -12.335 -3.444 -3.444 125 2HB ASP 8 HB1 ASP 8 -12.968 -5.065 -5.065 126 H PHE 9 HN PHE 9 -10.096 -2.410 -2.410 127 HA PHE 9 HA PHE 9 -8.196 -2.368 -2.368 128 1HB PHE 9 HB2 PHE 9 -7.201 -3.926 -3.926 129 2HB PHE 9 HB1 PHE 9 -6.307 -2.411 -2.411 130 HD1 PHE 9 HD1 PHE 9 -7.745 -4.237 -4.237 131 HD2 PHE 9 HD2 PHE 9 -4.189 -3.010 -3.010 132 HE1 PHE 9 HE1 PHE 9 -6.357 -5.029 -5.029 133 HE2 PHE 9 HE2 PHE 9 -2.808 -3.806 -3.806 134 HZ PHE 9 HZ PHE 9 -3.890 -4.812 -4.812 135 H LYS 10 HN LYS 10 -6.396 -0.580 -0.580 136 HA LYS 10 HA LYS 10 -7.523 1.443 1.443 137 1HB LYS 10 HB2 LYS 10 -7.483 3.193 3.193 138 2HB LYS 10 HB1 LYS 10 -8.472 1.864 1.864 139 1HG LYS 10 HG2 LYS 10 -5.539 2.109 2.109 140 2HG LYS 10 HG1 LYS 10 -6.800 2.870 2.870 141 1HD LYS 10 HD2 LYS 10 -7.796 0.326 0.326 142 2HD LYS 10 HD1 LYS 10 -6.061 0.019 0.019 143 1HE LYS 10 HE2 LYS 10 -5.849 0.998 0.998 144 2HE LYS 10 HE1 LYS 10 -7.385 1.853 1.853 145 1HZ LYS 10 HZ3 LYS 10 -8.455 -0.395 -0.395 146 2HZ LYS 10 HZ2 LYS 10 -6.955 -1.054 -1.054 147 3HZ LYS 10 HZ1 LYS 10 -7.755 0.027 0.027 148 H ALA 11 HN ALA 11 -5.995 3.452 3.452 149 HA ALA 11 HA ALA 11 -3.464 2.453 2.453 150 1HB ALA 11 HB1 ALA 11 -4.833 4.599 4.599 151 2HB ALA 11 HB3 ALA 11 -3.889 5.351 5.351 152 3HB ALA 11 HB2 ALA 11 -3.065 4.596 4.596 153 H THR 12 HN THR 12 -1.528 2.407 2.407 154 HA THR 12 HA THR 12 -1.642 3.405 3.405 155 HB THR 12 HB THR 12 -0.157 1.633 1.633 156 HG1 THR 12 HG1 THR 12 1.199 0.850 0.850 157 1HG2 THR 12 HG21 THR 12 -2.585 1.033 1.033 158 2HG2 THR 12 HG23 THR 12 -2.006 0.354 0.354 159 3HG2 THR 12 HG22 THR 12 -1.450 -0.316 -0.316 160 H ALA 13 HN ALA 13 -0.911 5.060 5.060 161 HA ALA 13 HA ALA 13 1.487 6.268 6.268 162 1HB ALA 13 HB1 ALA 13 1.817 4.315 4.315 163 2HB ALA 13 HB3 ALA 13 2.862 5.733 5.733 164 3HB ALA 13 HB2 ALA 13 2.833 4.530 4.530 165 H ASP 14 HN ASP 14 2.353 7.828 7.828 166 HA ASP 14 HA ASP 14 0.159 9.366 9.366 167 1HB ASP 14 HB2 ASP 14 2.463 10.031 10.031 168 2HB ASP 14 HB1 ASP 14 3.027 9.826 9.826 169 H ASP 15 HN ASP 15 1.865 6.744 6.744 170 HA ASP 15 HA ASP 15 0.988 7.474 7.474 171 1HB ASP 15 HB2 ASP 15 3.487 7.671 7.671 172 2HB ASP 15 HB1 ASP 15 3.498 5.931 5.931 173 H GLU 16 HN GLU 16 -0.207 5.770 5.770 174 HA GLU 16 HA GLU 16 -0.080 3.119 3.119 175 1HB GLU 16 HB2 GLU 16 0.337 3.429 3.429 176 2HB GLU 16 HB1 GLU 16 -1.408 3.636 3.636 177 1HG GLU 16 HG2 GLU 16 -1.831 1.450 1.450 178 2HG GLU 16 HG1 GLU 16 -0.534 1.335 1.335 179 H LEU 17 HN LEU 17 -2.345 1.975 1.975 180 HA LEU 17 HA LEU 17 -4.412 3.953 3.953 181 1HB LEU 17 HB2 LEU 17 -3.504 2.798 2.798 182 2HB LEU 17 HB1 LEU 17 -3.808 1.242 1.242 183 HG LEU 17 HG LEU 17 -6.276 1.895 1.895 184 1HD1 LEU 17 HD12 LEU 17 -5.233 4.375 4.375 185 2HD1 LEU 17 HD11 LEU 17 -6.046 3.722 3.722 186 3HD1 LEU 17 HD13 LEU 17 -6.935 3.922 3.922 187 1HD2 LEU 17 HD22 LEU 17 -4.620 1.122 1.122 188 2HD2 LEU 17 HD21 LEU 17 -6.076 0.366 0.366 189 3HD2 LEU 17 HD23 LEU 17 -6.209 1.758 1.758 190 H SER 18 HN SER 18 -6.569 3.486 3.486 191 HA SER 18 HA SER 18 -6.923 1.484 1.484 192 1HB SER 18 HB2 SER 18 -8.802 3.631 3.631 193 2HB SER 18 HB1 SER 18 -8.495 2.873 2.873 194 HG SER 18 HG SER 18 -7.455 4.779 4.779 195 H PHE 19 HN PHE 19 -8.885 0.204 0.204 196 HA PHE 19 HA PHE 19 -10.791 0.309 0.309 197 1HB PHE 19 HB2 PHE 19 -10.156 -1.828 -1.828 198 2HB PHE 19 HB1 PHE 19 -8.942 -0.568 -0.568 199 HD1 PHE 19 HD1 PHE 19 -9.801 -3.587 -3.587 200 HD2 PHE 19 HD2 PHE 19 -6.721 -0.827 -0.827 201 HE1 PHE 19 HE1 PHE 19 -8.091 -5.059 -5.059 202 HE2 PHE 19 HE2 PHE 19 -5.012 -2.298 -2.298 203 HZ PHE 19 HZ PHE 19 -5.696 -4.415 -4.415 204 H LYS 20 HN LYS 20 -12.183 -1.786 -1.786 205 HA LYS 20 HA LYS 20 -12.254 -2.776 -2.776 206 1HB LYS 20 HB2 LYS 20 -14.563 -2.377 -2.377 207 2HB LYS 20 HB1 LYS 20 -14.677 -2.895 -2.895 208 1HG LYS 20 HG2 LYS 20 -13.380 -0.302 -0.302 209 2HG LYS 20 HG1 LYS 20 -15.097 -0.423 -0.423 210 1HD LYS 20 HD2 LYS 20 -14.731 -0.729 -0.729 211 2HD LYS 20 HD1 LYS 20 -13.241 -1.635 -1.635 212 1HE LYS 20 HE2 LYS 20 -12.475 0.800 0.800 213 2HE LYS 20 HE1 LYS 20 -13.648 1.288 1.288 214 1HZ LYS 20 HZ1 LYS 20 -11.596 -0.740 -0.740 215 2HZ LYS 20 HZ3 LYS 20 -11.228 0.912 0.912 216 3HZ LYS 20 HZ2 LYS 20 -12.459 0.258 0.258 217 H ARG 21 HN ARG 21 -13.809 -4.813 -4.813 218 HA ARG 21 HA ARG 21 -12.433 -6.876 -6.876 219 1HB ARG 21 HB2 ARG 21 -13.403 -7.170 -7.170 220 2HB ARG 21 HB1 ARG 21 -15.014 -6.947 -6.947 221 1HG ARG 21 HG2 ARG 21 -14.774 -8.940 -8.940 222 2HG ARG 21 HG1 ARG 21 -13.092 -9.131 -9.131 223 1HD ARG 21 HD2 ARG 21 -13.665 -9.909 -9.909 224 2HD ARG 21 HD1 ARG 21 -15.094 -8.878 -8.878 225 HE ARG 21 HE ARG 21 -15.076 -11.322 -11.322 226 1HH1 ARG 21 HH21 ARG 21 -17.316 -9.158 -9.158 227 2HH1 ARG 21 HH22 ARG 21 -18.388 -10.102 -10.102 228 1HH2 ARG 21 HH11 ARG 21 -16.068 -12.612 -12.612 229 2HH2 ARG 21 HH12 ARG 21 -17.681 -12.056 -12.056 230 H GLY 22 HN GLY 22 -12.783 -7.112 -7.112 231 1HA GLY 22 HA2 GLY 22 -14.285 -7.940 -7.940 232 2HA GLY 22 HA1 GLY 22 -15.605 -7.073 -7.073 233 H ASP 23 HN ASP 23 -12.882 -5.101 -5.101 234 HA ASP 23 HA ASP 23 -13.855 -3.569 -3.569 235 1HB ASP 23 HB2 ASP 23 -13.014 -2.879 -2.879 236 2HB ASP 23 HB1 ASP 23 -11.729 -2.329 -2.329 237 H ILE 24 HN ILE 24 -12.882 -4.415 -4.415 238 HA ILE 24 HA ILE 24 -10.140 -5.358 -5.358 239 HB ILE 24 HB ILE 24 -11.687 -4.734 -4.734 240 1HG1 ILE 24 HG12 ILE 24 -12.024 -7.041 -7.041 241 2HG1 ILE 24 HG11 ILE 24 -13.280 -5.997 -5.997 242 1HG2 ILE 24 HG21 ILE 24 -9.166 -5.596 -5.596 243 2HG2 ILE 24 HG23 ILE 24 -9.985 -7.149 -7.149 244 3HG2 ILE 24 HG22 ILE 24 -10.143 -6.136 -6.136 245 1HD1 ILE 24 HD13 ILE 24 -12.528 -6.985 -6.985 246 2HD1 ILE 24 HD12 ILE 24 -11.824 -8.267 -8.267 247 3HD1 ILE 24 HD11 ILE 24 -13.558 -7.952 -7.952 248 H LEU 25 HN LEU 25 -8.319 -4.298 -4.298 249 HA LEU 25 HA LEU 25 -8.569 -1.361 -1.361 250 1HB LEU 25 HB2 LEU 25 -5.997 -2.917 -2.917 251 2HB LEU 25 HB1 LEU 25 -6.271 -1.207 -1.207 252 HG LEU 25 HG LEU 25 -6.233 -2.157 -2.157 253 1HD1 LEU 25 HD12 LEU 25 -8.575 -1.025 -1.025 254 2HD1 LEU 25 HD11 LEU 25 -9.149 -2.519 -2.519 255 3HD1 LEU 25 HD13 LEU 25 -8.194 -1.383 -1.383 256 1HD2 LEU 25 HD23 LEU 25 -6.709 -4.545 -4.545 257 2HD2 LEU 25 HD22 LEU 25 -6.739 -4.315 -4.315 258 3HD2 LEU 25 HD21 LEU 25 -8.247 -4.290 -4.290 259 H LYS 26 HN LYS 26 -7.213 -0.230 -0.230 260 HA LYS 26 HA LYS 26 -7.004 -1.842 -1.842 261 1HB LYS 26 HB2 LYS 26 -8.236 0.532 0.532 262 2HB LYS 26 HB1 LYS 26 -6.620 1.113 1.113 263 1HG LYS 26 HG2 LYS 26 -6.632 -0.119 -0.119 264 2HG LYS 26 HG1 LYS 26 -8.164 -0.888 -0.888 265 1HD LYS 26 HD2 LYS 26 -8.893 0.850 0.850 266 2HD LYS 26 HD1 LYS 26 -9.014 1.595 1.595 267 1HE LYS 26 HE2 LYS 26 -6.609 2.415 2.415 268 2HE LYS 26 HE1 LYS 26 -6.844 1.961 1.961 269 1HZ LYS 26 HZ2 LYS 26 -8.859 3.374 3.374 270 2HZ LYS 26 HZ1 LYS 26 -8.443 3.908 3.908 271 3HZ LYS 26 HZ3 LYS 26 -7.421 4.245 4.245 272 H VAL 27 HN VAL 27 -4.956 -2.822 -2.822 273 HA VAL 27 HA VAL 27 -2.667 -1.534 -1.534 274 HB VAL 27 HB VAL 27 -2.740 -3.786 -3.786 275 1HG1 VAL 27 HG12 VAL 27 -0.541 -2.392 -2.392 276 2HG1 VAL 27 HG11 VAL 27 -0.634 -3.639 -3.639 277 3HG1 VAL 27 HG13 VAL 27 -0.506 -4.093 -4.093 278 1HG2 VAL 27 HG21 VAL 27 -3.964 -3.804 -3.804 279 2HG2 VAL 27 HG23 VAL 27 -3.241 -5.237 -5.237 280 3HG2 VAL 27 HG22 VAL 27 -2.337 -4.305 -4.305 281 H LEU 28 HN LEU 28 -1.996 0.392 0.392 282 HA LEU 28 HA LEU 28 -1.883 0.863 0.863 283 1HB LEU 28 HB2 LEU 28 -0.539 2.812 2.812 284 2HB LEU 28 HB1 LEU 28 -1.629 3.109 3.109 285 HG LEU 28 HG LEU 28 -3.297 1.950 1.950 286 1HD1 LEU 28 HD13 LEU 28 -1.270 3.749 3.749 287 2HD1 LEU 28 HD12 LEU 28 -2.825 3.319 3.319 288 3HD1 LEU 28 HD11 LEU 28 -1.624 2.067 2.067 289 1HD2 LEU 28 HD22 LEU 28 -2.810 4.594 4.594 290 2HD2 LEU 28 HD21 LEU 28 -4.338 3.773 3.773 291 3HD2 LEU 28 HD23 LEU 28 -3.551 4.690 4.690 292 H ASN 29 HN ASN 29 0.188 0.125 0.125 293 HA ASN 29 HA ASN 29 2.350 -0.623 -0.623 294 1HB ASN 29 HB2 ASN 29 2.960 1.389 1.389 295 2HB ASN 29 HB1 ASN 29 4.061 0.777 0.777 296 1HD2 ASN 29 HD22 ASN 29 3.017 3.078 3.078 297 2HD2 ASN 29 HD21 ASN 29 4.051 1.795 1.795 298 H GLU 30 HN GLU 30 4.372 -1.232 -1.232 299 HA GLU 30 HA GLU 30 3.308 -2.656 -2.656 300 1HB GLU 30 HB2 GLU 30 4.768 -4.608 -4.608 301 2HB GLU 30 HB1 GLU 30 3.431 -4.348 -4.348 302 1HG GLU 30 HG2 GLU 30 5.021 -2.966 -2.966 303 2HG GLU 30 HG1 GLU 30 6.314 -3.557 -3.557 304 H GLU 31 HN GLU 31 4.420 -0.414 -0.414 305 HA GLU 31 HA GLU 31 7.357 -0.634 -0.634 306 1HB GLU 31 HB2 GLU 31 5.359 1.517 1.517 307 2HB GLU 31 HB1 GLU 31 7.078 1.633 1.633 308 1HG GLU 31 HG2 GLU 31 7.424 1.097 1.097 309 2HG GLU 31 HG1 GLU 31 5.745 1.614 1.614 310 H CYS 32 HN CYS 32 8.076 0.299 0.299 311 HA CYS 32 HA CYS 32 8.271 -0.148 -0.148 312 1HB CYS 32 HB2 CYS 32 5.570 0.213 0.213 313 2HB CYS 32 HB1 CYS 32 5.616 -1.419 -1.419 314 HG CYS 32 HG CYS 32 7.342 0.464 0.464 315 H ASP 33 HN ASP 33 7.479 -2.219 -2.219 316 HA ASP 33 HA ASP 33 9.167 -4.295 -4.295 317 1HB ASP 33 HB2 ASP 33 7.481 -3.790 -3.790 318 2HB ASP 33 HB1 ASP 33 6.543 -5.025 -5.025 319 H GLN 34 HN GLN 34 8.661 -6.606 -6.606 320 HA GLN 34 HA GLN 34 7.230 -6.659 -6.659 321 1HB GLN 34 HB2 GLN 34 9.530 -7.884 -7.884 322 2HB GLN 34 HB1 GLN 34 8.356 -9.188 -9.188 323 1HG GLN 34 HG2 GLN 34 8.817 -9.505 -9.505 324 2HG GLN 34 HG1 GLN 34 7.630 -8.218 -8.218 325 1HE2 GLN 34 HE22 GLN 34 11.541 -7.506 -7.506 326 2HE2 GLN 34 HE21 GLN 34 11.043 -9.005 -9.005 327 H ASN 35 HN ASN 35 6.011 -6.673 -6.673 328 HA ASN 35 HA ASN 35 4.190 -8.952 -8.952 329 1HB ASN 35 HB2 ASN 35 5.143 -7.716 -7.716 330 2HB ASN 35 HB1 ASN 35 3.753 -8.805 -8.805 331 1HD2 ASN 35 HD22 ASN 35 5.851 -11.629 -11.629 332 2HD2 ASN 35 HD21 ASN 35 4.382 -10.901 -10.901 333 H TRP 36 HN TRP 36 4.413 -5.565 -5.565 334 HA TRP 36 HA TRP 36 1.432 -5.423 -5.423 335 1HB TRP 36 HB2 TRP 36 3.363 -3.117 -3.117 336 2HB TRP 36 HB1 TRP 36 1.625 -3.112 -3.112 337 HD1 TRP 36 HD1 TRP 36 4.485 -5.528 -5.528 338 HE1 TRP 36 HE1 TRP 36 4.332 -5.754 -5.754 339 HE3 TRP 36 HE3 TRP 36 0.496 -2.408 -2.408 340 HZ2 TRP 36 HZ2 TRP 36 2.845 -4.759 -4.759 341 HZ3 TRP 36 HZ3 TRP 36 -0.199 -2.069 -2.069 342 HH2 TRP 36 HH2 TRP 36 0.951 -3.246 -3.246 343 H TYR 37 HN TYR 37 0.301 -4.531 -4.531 344 HA TYR 37 HA TYR 37 1.761 -3.973 -3.973 345 1HB TYR 37 HB2 TYR 37 -1.188 -4.216 -4.216 346 2HB TYR 37 HB1 TYR 37 -0.546 -3.897 -3.897 347 HD1 TYR 37 HD1 TYR 37 1.791 -5.713 -5.713 348 HD2 TYR 37 HD2 TYR 37 -2.126 -6.324 -6.324 349 HE1 TYR 37 HE1 TYR 37 1.998 -8.156 -8.156 350 HE2 TYR 37 HE2 TYR 37 -1.928 -8.755 -8.755 351 HH TYR 37 HH TYR 37 1.067 -10.232 -10.232 352 H LYS 38 HN LYS 38 1.056 -2.111 -2.111 353 HA LYS 38 HA LYS 38 0.292 0.259 0.259 354 1HB LYS 38 HB2 LYS 38 2.528 0.183 0.183 355 2HB LYS 38 HB1 LYS 38 1.470 0.405 0.405 356 1HG LYS 38 HG2 LYS 38 0.623 2.251 2.251 357 2HG LYS 38 HG1 LYS 38 2.378 2.367 2.367 358 1HD LYS 38 HD2 LYS 38 1.406 2.205 2.205 359 2HD LYS 38 HD1 LYS 38 0.387 3.369 3.369 360 1HE LYS 38 HE2 LYS 38 2.392 4.566 4.566 361 2HE LYS 38 HE1 LYS 38 3.413 3.410 3.410 362 1HZ LYS 38 HZ2 LYS 38 1.310 4.775 4.775 363 2HZ LYS 38 HZ1 LYS 38 2.689 5.672 5.672 364 3HZ LYS 38 HZ3 LYS 38 2.851 4.261 4.261 365 H ALA 39 HN ALA 39 -1.879 0.730 0.730 366 HA ALA 39 HA ALA 39 -3.013 0.423 0.423 367 1HB ALA 39 HB3 ALA 39 -3.304 -1.713 -1.713 368 2HB ALA 39 HB2 ALA 39 -4.150 -0.884 -0.884 369 3HB ALA 39 HB1 ALA 39 -4.849 -0.924 -0.924 370 H GLU 40 HN GLU 40 -5.549 0.853 0.853 371 HA GLU 40 HA GLU 40 -5.856 3.198 3.198 372 1HB GLU 40 HB2 GLU 40 -5.435 4.705 4.705 373 2HB GLU 40 HB1 GLU 40 -4.809 3.385 3.385 374 1HG GLU 40 HG2 GLU 40 -7.005 3.132 3.132 375 2HG GLU 40 HG1 GLU 40 -7.708 4.343 4.343 376 H LEU 41 HN LEU 41 -7.799 3.558 3.558 377 HA LEU 41 HA LEU 41 -10.019 1.959 1.959 378 1HB LEU 41 HB2 LEU 41 -9.434 2.963 2.963 379 2HB LEU 41 HB1 LEU 41 -11.134 2.852 2.852 380 HG LEU 41 HG LEU 41 -9.274 0.603 0.603 381 1HD1 LEU 41 HD12 LEU 41 -10.394 1.457 1.457 382 2HD1 LEU 41 HD11 LEU 41 -10.370 -0.269 -0.269 383 3HD1 LEU 41 HD13 LEU 41 -8.866 0.653 0.653 384 1HD2 LEU 41 HD21 LEU 41 -11.605 0.831 0.831 385 2HD2 LEU 41 HD23 LEU 41 -11.331 -0.647 -0.647 386 3HD2 LEU 41 HD22 LEU 41 -12.211 0.696 0.696 387 H ASN 42 HN ASN 42 -10.699 3.050 3.050 388 HA ASN 42 HA ASN 42 -11.695 4.788 4.788 389 1HB ASN 42 HB2 ASN 42 -13.125 4.357 4.357 390 2HB ASN 42 HB1 ASN 42 -13.615 5.745 5.745 391 1HD2 ASN 42 HD22 ASN 42 -14.825 3.706 3.706 392 2HD2 ASN 42 HD21 ASN 42 -14.148 5.223 5.223 393 H GLY 43 HN GLY 43 -9.421 5.839 5.839 394 1HA GLY 43 HA2 GLY 43 -9.226 8.457 8.457 395 2HA GLY 43 HA1 GLY 43 -10.387 8.535 8.535 396 H LYS 44 HN LYS 44 -9.225 6.430 6.430 397 HA LYS 44 HA LYS 44 -6.954 7.881 7.881 398 1HB LYS 44 HB2 LYS 44 -8.788 5.746 5.746 399 2HB LYS 44 HB1 LYS 44 -7.157 5.862 5.862 400 1HG LYS 44 HG2 LYS 44 -7.506 7.911 7.911 401 2HG LYS 44 HG1 LYS 44 -8.697 8.388 8.388 402 1HD LYS 44 HD2 LYS 44 -9.203 6.262 6.262 403 2HD LYS 44 HD1 LYS 44 -9.679 7.951 7.951 404 1HE LYS 44 HE2 LYS 44 -10.501 6.711 6.711 405 2HE LYS 44 HE1 LYS 44 -11.269 6.031 6.031 406 1HZ LYS 44 HZ2 LYS 44 -11.141 8.930 8.930 407 2HZ LYS 44 HZ1 LYS 44 -12.485 7.934 7.934 408 3HZ LYS 44 HZ3 LYS 44 -11.980 8.209 8.209 409 H ASP 45 HN ASP 45 -5.221 6.327 6.327 410 HA ASP 45 HA ASP 45 -4.728 3.983 3.983 411 1HB ASP 45 HB2 ASP 45 -3.628 4.678 4.678 412 2HB ASP 45 HB1 ASP 45 -4.439 6.196 6.196 413 H GLY 46 HN GLY 46 -2.136 3.632 3.632 414 1HA GLY 46 HA2 GLY 46 -0.118 4.255 4.255 415 2HA GLY 46 HA1 GLY 46 -1.195 4.299 4.299 416 H PHE 47 HN PHE 47 0.776 2.746 2.746 417 HA PHE 47 HA PHE 47 0.847 0.103 0.103 418 1HB PHE 47 HB2 PHE 47 1.599 0.902 0.902 419 2HB PHE 47 HB1 PHE 47 2.240 -0.445 -0.445 420 HD1 PHE 47 HD2 PHE 47 2.815 0.669 0.669 421 HD2 PHE 47 HD1 PHE 47 3.306 2.466 2.466 422 HE1 PHE 47 HE2 PHE 47 4.572 2.163 2.163 423 HE2 PHE 47 HE1 PHE 47 5.062 3.958 3.958 424 HZ PHE 47 HZ PHE 47 5.695 3.807 3.807 425 H ILE 48 HN ILE 48 0.152 -1.935 -1.935 426 HA ILE 48 HA ILE 48 -1.922 -1.729 -1.729 427 HB ILE 48 HB ILE 48 -3.400 -3.298 -3.298 428 1HG1 ILE 48 HG12 ILE 48 -1.935 -1.866 -1.866 429 2HG1 ILE 48 HG11 ILE 48 -1.575 -3.528 -3.528 430 1HG2 ILE 48 HG22 ILE 48 -3.583 -0.693 -0.693 431 2HG2 ILE 48 HG21 ILE 48 -3.371 -0.565 -0.565 432 3HG2 ILE 48 HG23 ILE 48 -4.718 -1.494 -1.494 433 1HD1 ILE 48 HD12 ILE 48 -4.446 -3.044 -3.044 434 2HD1 ILE 48 HD11 ILE 48 -3.505 -2.754 -2.754 435 3HD1 ILE 48 HD13 ILE 48 -3.427 -4.322 -4.322 436 HA PRO 49 HA PRO 49 0.461 -5.394 -5.394 437 1HB PRO 49 HB2 PRO 49 -1.032 -6.399 -6.399 438 2HB PRO 49 HB1 PRO 49 0.205 -5.135 -5.135 439 1HG PRO 49 HG2 PRO 49 -2.792 -4.863 -4.863 440 2HG PRO 49 HG1 PRO 49 -1.581 -3.849 -3.849 441 1HD PRO 49 HD2 PRO 49 -2.857 -3.158 -3.158 442 2HD PRO 49 HD1 PRO 49 -1.365 -2.453 -2.453 443 H LYS 50 HN LYS 50 0.279 -6.925 -6.925 444 HA LYS 50 HA LYS 50 -2.011 -7.866 -7.866 445 1HB LYS 50 HB2 LYS 50 0.277 -8.156 -8.156 446 2HB LYS 50 HB1 LYS 50 0.590 -9.275 -9.275 447 1HG LYS 50 HG2 LYS 50 -1.158 -10.783 -10.783 448 2HG LYS 50 HG1 LYS 50 -1.357 -9.674 -9.674 449 1HD LYS 50 HD2 LYS 50 0.648 -10.271 -10.271 450 2HD LYS 50 HD1 LYS 50 1.452 -10.454 -10.454 451 1HE LYS 50 HE2 LYS 50 -0.393 -12.516 -12.516 452 2HE LYS 50 HE1 LYS 50 0.074 -12.471 -12.471 453 1HZ LYS 50 HZ2 LYS 50 2.449 -12.320 -12.320 454 2HZ LYS 50 HZ1 LYS 50 1.751 -12.945 -12.945 455 3HZ LYS 50 HZ3 LYS 50 1.667 -13.828 -13.828 456 H ASN 51 HN ASN 51 -1.016 -8.742 -8.742 457 HA ASN 51 HA ASN 51 -2.035 -11.306 -11.306 458 1HB ASN 51 HB2 ASN 51 -1.382 -9.174 -9.174 459 2HB ASN 51 HB1 ASN 51 -2.373 -10.452 -10.452 460 1HD2 ASN 51 HD22 ASN 51 0.231 -12.939 -12.939 461 2HD2 ASN 51 HD21 ASN 51 -1.452 -12.764 -12.764 462 H TYR 52 HN TYR 52 -3.544 -8.212 -8.212 463 HA TYR 52 HA TYR 52 -6.210 -9.374 -9.374 464 1HB TYR 52 HB2 TYR 52 -5.147 -6.540 -6.540 465 2HB TYR 52 HB1 TYR 52 -6.858 -6.882 -6.882 466 HD1 TYR 52 HD1 TYR 52 -3.833 -8.292 -8.292 467 HD2 TYR 52 HD2 TYR 52 -7.638 -6.381 -6.381 468 HE1 TYR 52 HE1 TYR 52 -3.663 -8.310 -8.310 469 HE2 TYR 52 HE2 TYR 52 -7.466 -6.408 -6.408 470 HH TYR 52 HH TYR 52 -6.234 -7.829 -7.829 471 H ILE 53 HN ILE 53 -4.743 -9.810 -9.810 472 HA ILE 53 HA ILE 53 -6.777 -8.910 -8.910 473 HB ILE 53 HB ILE 53 -4.259 -8.217 -8.217 474 1HG1 ILE 53 HG12 ILE 53 -5.152 -6.488 -6.488 475 2HG1 ILE 53 HG11 ILE 53 -3.736 -7.535 -7.535 476 1HG2 ILE 53 HG22 ILE 53 -6.632 -7.660 -7.660 477 2HG2 ILE 53 HG21 ILE 53 -6.602 -6.408 -6.408 478 3HG2 ILE 53 HG23 ILE 53 -5.444 -6.370 -6.370 479 1HD1 ILE 53 HD12 ILE 53 -3.229 -6.240 -6.240 480 2HD1 ILE 53 HD11 ILE 53 -4.195 -5.004 -5.004 481 3HD1 ILE 53 HD13 ILE 53 -2.727 -5.606 -5.606 482 H GLU 54 HN GLU 54 -6.103 -9.502 -9.502 483 HA GLU 54 HA GLU 54 -4.340 -11.711 -11.711 484 1HB GLU 54 HB2 GLU 54 -7.166 -12.107 -12.107 485 2HB GLU 54 HB1 GLU 54 -6.629 -12.589 -12.589 486 1HG GLU 54 HG2 GLU 54 -4.685 -13.758 -13.758 487 2HG GLU 54 HG1 GLU 54 -5.899 -13.731 -13.731 488 H MET 55 HN MET 55 -3.998 -12.126 -12.126 489 HA MET 55 HA MET 55 -4.253 -9.578 -9.578 490 1HB MET 55 HB2 MET 55 -2.134 -11.151 -11.151 491 2HB MET 55 HB1 MET 55 -2.797 -11.905 -11.905 492 1HG MET 55 HG2 MET 55 -2.953 -9.555 -9.555 493 2HG MET 55 HG1 MET 55 -1.961 -9.023 -9.023 494 1HE MET 55 HE1 MET 55 -2.485 -10.439 -10.439 495 2HE MET 55 HE3 MET 55 -1.109 -9.464 -9.464 496 3HE MET 55 HE2 MET 55 -1.031 -11.222 -11.222 497 H LYS 56 HN LYS 56 -6.080 -9.342 -9.342 498 HA LYS 56 HA LYS 56 -7.033 -11.608 -11.608 499 1HB LYS 56 HB2 LYS 56 -8.299 -9.236 -9.236 500 2HB LYS 56 HB1 LYS 56 -8.947 -9.850 -9.850 501 1HG LYS 56 HG2 LYS 56 -9.374 -11.990 -11.990 502 2HG LYS 56 HG1 LYS 56 -8.361 -11.646 -11.646 503 1HD LYS 56 HD2 LYS 56 -10.734 -11.473 -11.473 504 2HD LYS 56 HD1 LYS 56 -9.959 -9.891 -9.891 505 1HE LYS 56 HE2 LYS 56 -10.988 -9.122 -9.122 506 2HE LYS 56 HE1 LYS 56 -11.313 -10.750 -10.750 507 1HZ LYS 56 HZ3 LYS 56 -12.567 -10.029 -10.029 508 2HZ LYS 56 HZ2 LYS 56 -13.162 -9.239 -9.239 509 3HZ LYS 56 HZ1 LYS 56 -13.178 -10.934 -10.934 510 HA PRO 57 HA PRO 57 -5.738 -9.715 -9.715 511 1HB PRO 57 HB2 PRO 57 -7.445 -10.795 -10.795 512 2HB PRO 57 HB1 PRO 57 -6.066 -11.655 -11.655 513 1HG PRO 57 HG2 PRO 57 -8.950 -11.918 -11.918 514 2HG PRO 57 HG1 PRO 57 -7.659 -13.093 -13.093 515 1HD PRO 57 HD2 PRO 57 -8.811 -11.589 -11.589 516 2HD PRO 57 HD1 PRO 57 -7.300 -12.520 -12.520 517 H HIS 58 HN HIS 58 -9.124 -9.920 -9.920 518 HA HIS 58 HA HIS 58 -9.560 -7.035 -7.035 519 1HB HIS 58 HB2 HIS 58 -9.280 -8.325 -8.325 520 2HB HIS 58 HB1 HIS 58 -10.281 -6.891 -6.891 521 HD1 HIS 58 HD1 HIS 58 -7.276 -7.335 -7.335 522 HD2 HIS 58 HD2 HIS 58 -8.275 -5.225 -5.225 523 HE1 HIS 58 HE1 HIS 58 -5.419 -5.652 -5.652 524 HA PRO 59 HA PRO 59 -13.468 -9.329 -9.329 525 1HB PRO 59 HB2 PRO 59 -14.694 -7.484 -7.484 526 2HB PRO 59 HB1 PRO 59 -13.582 -8.731 -8.731 527 1HG PRO 59 HG2 PRO 59 -13.104 -5.802 -5.802 528 2HG PRO 59 HG1 PRO 59 -12.329 -6.941 -6.941 529 1HD PRO 59 HD2 PRO 59 -11.213 -5.975 -5.975 530 2HD PRO 59 HD1 PRO 59 -10.614 -7.353 -7.353 531 H GLU 60 HN GLU 60 -12.945 -6.008 -6.008 532 HA GLU 60 HA GLU 60 -15.539 -6.108 -6.108 533 1HB GLU 60 HB2 GLU 60 -14.197 -3.888 -3.888 534 2HB GLU 60 HB1 GLU 60 -15.156 -3.486 -3.486 535 1HG GLU 60 HG2 GLU 60 -16.622 -3.387 -3.387 536 2HG GLU 60 HG1 GLU 60 -17.048 -4.826 -4.826 537 H PHE 61 HN PHE 61 -15.428 -4.588 -4.588 538 HA PHE 61 HA PHE 61 -12.759 -4.207 -4.207 539 1HB PHE 61 HB2 PHE 61 -13.851 -6.696 -6.696 540 2HB PHE 61 HB1 PHE 61 -14.467 -5.845 -5.845 541 HD1 PHE 61 HD1 PHE 61 -12.439 -4.039 -4.039 542 HD2 PHE 61 HD2 PHE 61 -11.956 -7.941 -7.941 543 HE1 PHE 61 HE1 PHE 61 -10.220 -4.246 -4.246 544 HE2 PHE 61 HE2 PHE 61 -9.736 -8.148 -8.148 545 HZ PHE 61 HZ PHE 61 -8.868 -6.300 -6.300 546 H ILE 62 HN ILE 62 -14.996 -2.484 -2.484 547 HA ILE 62 HA ILE 62 -15.349 -1.234 -1.234 548 HB ILE 62 HB ILE 62 -17.834 -1.046 -1.046 549 1HG1 ILE 62 HG12 ILE 62 -17.652 -3.340 -3.340 550 2HG1 ILE 62 HG11 ILE 62 -17.478 -1.695 -1.695 551 1HG2 ILE 62 HG21 ILE 62 -16.588 -2.871 -2.871 552 2HG2 ILE 62 HG23 ILE 62 -17.037 -3.954 -3.954 553 3HG2 ILE 62 HG22 ILE 62 -18.288 -3.142 -3.142 554 1HD1 ILE 62 HD12 ILE 62 -19.772 -2.475 -2.475 555 2HD1 ILE 62 HD11 ILE 62 -19.861 -2.672 -2.672 556 3HD1 ILE 62 HD13 ILE 62 -19.639 -1.066 -1.066 557 H VAL 63 HN VAL 63 -16.937 0.817 0.817 558 HA VAL 63 HA VAL 63 -16.352 1.955 1.955 559 HB VAL 63 HB VAL 63 -15.568 3.378 3.378 560 1HG1 VAL 63 HG11 VAL 63 -15.105 4.023 4.023 561 2HG1 VAL 63 HG13 VAL 63 -14.500 4.965 4.965 562 3HG1 VAL 63 HG12 VAL 63 -16.235 4.854 4.854 563 1HG2 VAL 63 HG22 VAL 63 -13.859 1.993 1.993 564 2HG2 VAL 63 HG21 VAL 63 -14.065 1.482 1.482 565 3HG2 VAL 63 HG23 VAL 63 -13.235 2.995 2.995 566 H THR 64 HN THR 64 -17.878 3.510 3.510 567 HA THR 64 HA THR 64 -20.118 3.935 3.935 568 HB THR 64 HB THR 64 -21.366 4.483 4.483 569 HG1 THR 64 HG1 THR 64 -20.405 3.824 3.824 570 1HG2 THR 64 HG22 THR 64 -20.500 1.701 1.701 571 2HG2 THR 64 HG21 THR 64 -21.801 2.024 2.024 572 3HG2 THR 64 HG23 THR 64 -21.944 2.565 2.565 573 H ASP 65 HN ASP 65 -18.898 5.790 5.790 574 HA ASP 65 HA ASP 65 -18.447 8.089 8.089 575 1HB ASP 65 HB2 ASP 65 -17.099 7.325 7.325 576 2HB ASP 65 HB1 ASP 65 -18.312 8.309 8.309 577 1H SER 1 HT3 SER 1 -2.892 -17.250 -17.250 578 2H SER 1 HT2 SER 1 -1.713 -17.838 -17.838 579 3H SER 1 HT1 SER 1 -2.745 -16.574 -16.574 580 HA SER 1 HA SER 1 -0.831 -15.427 -15.427 581 1HB SER 1 HB2 SER 1 -0.473 -17.688 -17.688 582 2HB SER 1 HB1 SER 1 0.186 -16.144 -16.144 583 HG SER 1 HG SER 1 1.716 -17.248 -17.248 584 HA PRO 2 HA PRO 2 -2.921 -12.744 -12.744 585 1HB PRO 2 HB2 PRO 2 -0.884 -11.188 -11.188 586 2HB PRO 2 HB1 PRO 2 -1.527 -11.022 -11.022 587 1HG PRO 2 HG2 PRO 2 1.053 -12.239 -12.239 588 2HG PRO 2 HG1 PRO 2 0.642 -11.496 -11.496 589 1HD PRO 2 HD2 PRO 2 0.780 -14.278 -14.278 590 2HD PRO 2 HD1 PRO 2 0.056 -13.520 -13.520 591 H LEU 3 HN LEU 3 -3.634 -12.836 -12.836 592 HA LEU 3 HA LEU 3 -1.768 -13.960 -13.960 593 1HB LEU 3 HB2 LEU 3 -3.760 -15.473 -15.473 594 2HB LEU 3 HB1 LEU 3 -4.616 -14.741 -14.741 595 HG LEU 3 HG LEU 3 -1.943 -16.149 -16.149 596 1HD1 LEU 3 HD12 LEU 3 -3.923 -17.612 -17.612 597 2HD1 LEU 3 HD11 LEU 3 -4.652 -17.179 -17.179 598 3HD1 LEU 3 HD13 LEU 3 -3.123 -18.057 -18.057 599 1HD2 LEU 3 HD23 LEU 3 -3.957 -15.102 -15.102 600 2HD2 LEU 3 HD22 LEU 3 -2.318 -14.505 -14.505 601 3HD2 LEU 3 HD21 LEU 3 -2.574 -16.112 -16.112 602 H LEU 4 HN LEU 4 -5.190 -12.861 -12.861 603 HA LEU 4 HA LEU 4 -4.765 -11.394 -11.394 604 1HB LEU 4 HB2 LEU 4 -7.006 -12.452 -12.452 605 2HB LEU 4 HB1 LEU 4 -7.235 -10.705 -10.705 606 HG LEU 4 HG LEU 4 -6.372 -11.917 -11.917 607 1HD1 LEU 4 HD11 LEU 4 -8.984 -12.333 -12.333 608 2HD1 LEU 4 HD13 LEU 4 -9.044 -11.898 -11.898 609 3HD1 LEU 4 HD12 LEU 4 -8.168 -13.340 -13.340 610 1HD2 LEU 4 HD21 LEU 4 -7.715 -9.458 -9.458 611 2HD2 LEU 4 HD23 LEU 4 -6.550 -9.638 -9.638 612 3HD2 LEU 4 HD22 LEU 4 -8.247 -10.044 -10.044 613 HA PRO 5 HA PRO 5 -5.308 -7.562 -7.562 614 1HB PRO 5 HB2 PRO 5 -5.396 -7.881 -7.881 615 2HB PRO 5 HB1 PRO 5 -6.834 -7.875 -7.875 616 1HG PRO 5 HG2 PRO 5 -5.491 -10.190 -10.190 617 2HG PRO 5 HG1 PRO 5 -7.187 -10.002 -10.002 618 1HD PRO 5 HD2 PRO 5 -5.227 -11.484 -11.484 619 2HD PRO 5 HD1 PRO 5 -6.816 -11.003 -11.003 620 H LYS 6 HN LYS 6 -3.010 -7.734 -7.734 621 HA LYS 6 HA LYS 6 -1.118 -6.879 -6.879 622 1HB LYS 6 HB2 LYS 6 -1.222 -9.304 -9.304 623 2HB LYS 6 HB1 LYS 6 -0.642 -9.733 -9.733 624 1HG LYS 6 HG2 LYS 6 1.485 -9.016 -9.016 625 2HG LYS 6 HG1 LYS 6 0.938 -7.662 -7.662 626 1HD LYS 6 HD2 LYS 6 0.243 -9.480 -9.480 627 2HD LYS 6 HD1 LYS 6 1.309 -10.542 -10.542 628 1HE LYS 6 HE2 LYS 6 2.377 -7.863 -7.863 629 2HE LYS 6 HE1 LYS 6 2.213 -9.059 -9.059 630 1HZ LYS 6 HZ1 LYS 6 3.649 -9.471 -9.471 631 2HZ LYS 6 HZ3 LYS 6 4.381 -9.184 -9.184 632 3HZ LYS 6 HZ2 LYS 6 3.498 -10.614 -10.614 633 H LEU 7 HN LEU 7 -0.452 -5.370 -5.370 634 HA LEU 7 HA LEU 7 0.808 -6.493 -6.493 635 1HB LEU 7 HB2 LEU 7 -1.280 -4.473 -4.473 636 2HB LEU 7 HB1 LEU 7 0.123 -3.814 -3.814 637 HG LEU 7 HG LEU 7 -1.411 -4.797 -4.797 638 1HD1 LEU 7 HD11 LEU 7 1.250 -5.215 -5.215 639 2HD1 LEU 7 HD13 LEU 7 0.703 -6.891 -6.891 640 3HD1 LEU 7 HD12 LEU 7 0.217 -5.834 -5.834 641 1HD2 LEU 7 HD23 LEU 7 -2.408 -6.422 -6.422 642 2HD2 LEU 7 HD22 LEU 7 -2.077 -7.105 -7.105 643 3HD2 LEU 7 HD21 LEU 7 -0.987 -7.436 -7.436 644 HA PRO 8 HA PRO 8 3.882 -3.973 -3.973 645 1HB PRO 8 HB2 PRO 8 5.800 -5.928 -5.928 646 2HB PRO 8 HB1 PRO 8 4.510 -5.678 -5.678 647 1HG PRO 8 HG2 PRO 8 4.778 -7.835 -7.835 648 2HG PRO 8 HG1 PRO 8 3.921 -7.862 -7.862 649 1HD PRO 8 HD2 PRO 8 2.725 -7.535 -7.535 650 2HD PRO 8 HD1 PRO 8 1.947 -7.245 -7.245 651 HA PRO 9 HA PRO 9 6.383 -3.287 -3.287 652 1HB PRO 9 HB2 PRO 9 8.750 -2.386 -2.386 653 2HB PRO 9 HB1 PRO 9 7.271 -1.409 -1.409 654 1HG PRO 9 HG2 PRO 9 8.516 -2.761 -2.761 655 2HG PRO 9 HG1 PRO 9 7.470 -1.331 -1.331 656 1HD PRO 9 HD2 PRO 9 6.660 -3.953 -3.953 657 2HD PRO 9 HD1 PRO 9 5.581 -2.592 -2.592 658 H LYS 10 HN LYS 10 7.793 -5.276 -5.276 659 HA LYS 10 HA LYS 10 9.335 -6.768 -6.768 660 1HB LYS 10 HB2 LYS 10 10.079 -6.453 -6.453 661 2HB LYS 10 HB1 LYS 10 11.029 -7.260 -7.260 662 1HG LYS 10 HG2 LYS 10 11.460 -5.210 -5.210 663 2HG LYS 10 HG1 LYS 10 10.231 -4.352 -4.352 664 1HD LYS 10 HD2 LYS 10 12.518 -5.652 -5.652 665 2HD LYS 10 HD1 LYS 10 12.770 -4.097 -4.097 666 1HE LYS 10 HE2 LYS 10 10.540 -3.437 -3.437 667 2HE LYS 10 HE1 LYS 10 10.972 -4.775 -4.775 668 1HZ LYS 10 HZ1 LYS 10 13.237 -3.690 -3.690 669 2HZ LYS 10 HZ3 LYS 10 12.519 -2.319 -2.319 670 3HZ LYS 10 HZ2 LYS 10 11.970 -2.893 -2.893 671 H THR 11 HN THR 11 8.527 -8.792 -8.792 672 HA THR 11 HA THR 11 6.477 -9.901 -9.901 673 HB THR 11 HB THR 11 7.331 -12.108 -12.108 674 HG1 THR 11 HG1 THR 11 8.570 -11.647 -11.647 675 1HG2 THR 11 HG23 THR 11 5.994 -9.689 -9.689 676 2HG2 THR 11 HG22 THR 11 6.255 -11.131 -11.131 677 3HG2 THR 11 HG21 THR 11 5.276 -11.226 -11.226 678 H TYR 12 HN TYR 12 9.574 -11.615 -11.615 679 HA TYR 12 HA TYR 12 10.451 -11.503 -11.503 680 1HB TYR 12 HB2 TYR 12 8.154 -12.968 -12.968 681 2HB TYR 12 HB1 TYR 12 9.349 -14.232 -14.232 682 HD1 TYR 12 HD1 TYR 12 8.441 -11.456 -11.456 683 HD2 TYR 12 HD2 TYR 12 10.682 -15.077 -15.077 684 HE1 TYR 12 HE1 TYR 12 8.994 -11.483 -11.483 685 HE2 TYR 12 HE2 TYR 12 11.235 -15.104 -15.104 686 HH TYR 12 HH TYR 12 9.685 -13.621 -13.621 687 H LYS 13 HN LYS 13 11.566 -11.493 -11.493 688 HA LYS 13 HA LYS 13 13.739 -13.373 -13.373 689 1HB LYS 13 HB2 LYS 13 11.521 -14.043 -14.043 690 2HB LYS 13 HB1 LYS 13 13.155 -14.281 -14.281 691 1HG LYS 13 HG2 LYS 13 13.127 -15.301 -15.301 692 2HG LYS 13 HG1 LYS 13 11.685 -15.922 -15.922 693 1HD LYS 13 HD2 LYS 13 13.333 -17.517 -17.517 694 2HD LYS 13 HD1 LYS 13 13.286 -16.483 -16.483 695 1HE LYS 13 HE2 LYS 13 15.239 -15.269 -15.269 696 2HE LYS 13 HE1 LYS 13 15.215 -16.058 -16.058 697 1HZ LYS 13 HZ3 LYS 13 15.541 -17.515 -17.515 698 2HZ LYS 13 HZ2 LYS 13 16.845 -16.998 -16.998 699 3HZ LYS 13 HZ1 LYS 13 15.737 -18.134 -18.134 700 H ARG 14 HN ARG 14 14.771 -11.245 -11.245 701 HA ARG 14 HA ARG 14 15.606 -10.603 -10.603 702 1HB ARG 14 HB2 ARG 14 13.374 -9.281 -9.281 703 2HB ARG 14 HB1 ARG 14 14.608 -8.202 -8.202 704 1HG ARG 14 HG2 ARG 14 14.597 -7.323 -7.323 705 2HG ARG 14 HG1 ARG 14 15.635 -8.698 -8.698 706 1HD ARG 14 HD2 ARG 14 14.087 -9.442 -9.442 707 2HD ARG 14 HD1 ARG 14 12.944 -9.632 -9.632 708 HE ARG 14 HE ARG 14 12.613 -7.022 -7.022 709 1HH1 ARG 14 HH11 ARG 14 14.054 -8.454 -8.454 710 2HH1 ARG 14 HH12 ARG 14 12.746 -8.236 -8.236 711 1HH2 ARG 14 HH21 ARG 14 10.490 -7.232 -7.232 712 2HH2 ARG 14 HH22 ARG 14 10.728 -7.543 -7.543 713 H GLU 15 HN GLU 15 15.527 -9.224 -9.224 714 HA GLU 15 HA GLU 15 18.494 -9.277 -9.277 715 1HB GLU 15 HB2 GLU 15 17.576 -6.996 -6.996 716 2HB GLU 15 HB1 GLU 15 17.026 -6.782 -6.782 717 1HG GLU 15 HG2 GLU 15 19.859 -7.636 -7.636 718 2HG GLU 15 HG1 GLU 15 19.427 -5.942 -5.942 Start of MODEL 24 1 1H GLY -8 HT1 GLY -8 8.568 -9.966 -9.966 2 2H GLY -8 HT3 GLY -8 9.634 -9.749 -9.749 3 3H GLY -8 HT2 GLY -8 10.094 -9.266 -9.266 4 1HA GLY -8 HA1 GLY -8 9.050 -7.345 -7.345 5 2HA GLY -8 HA2 GLY -8 8.927 -7.668 -7.668 6 H SER -7 HN SER -7 7.126 -6.103 -6.103 7 HA SER -7 HA SER -7 5.051 -6.923 -6.923 8 1HB SER -7 HB2 SER -7 6.198 -5.102 -5.102 9 2HB SER -7 HB1 SER -7 6.187 -4.139 -4.139 10 HG SER -7 HG SER -7 4.181 -3.596 -3.596 11 H ARG -6 HN ARG -6 2.915 -5.803 -5.803 12 HA ARG -6 HA ARG -6 2.632 -5.576 -5.576 13 1HB ARG -6 HB2 ARG -6 0.711 -6.463 -6.463 14 2HB ARG -6 HB1 ARG -6 0.178 -6.078 -6.078 15 1HG ARG -6 HG2 ARG -6 1.620 -7.788 -7.788 16 2HG ARG -6 HG1 ARG -6 2.340 -8.102 -8.102 17 1HD ARG -6 HD2 ARG -6 0.251 -8.952 -8.952 18 2HD ARG -6 HD1 ARG -6 -0.609 -8.451 -8.451 19 HE ARG -6 HE ARG -6 0.967 -10.148 -10.148 20 1HH1 ARG -6 HH11 ARG -6 2.352 -11.132 -11.132 21 2HH1 ARG -6 HH12 ARG -6 1.404 -12.507 -12.507 22 1HH2 ARG -6 HH21 ARG -6 -1.332 -11.594 -11.594 23 2HH2 ARG -6 HH22 ARG -6 -0.682 -12.769 -12.769 24 H ARG -5 HN ARG -5 0.405 -4.233 -4.233 25 HA ARG -5 HA ARG -5 0.797 -1.645 -1.645 26 1HB ARG -5 HB2 ARG -5 -0.344 -2.145 -2.145 27 2HB ARG -5 HB1 ARG -5 -0.103 -0.564 -0.564 28 1HG ARG -5 HG2 ARG -5 2.200 -0.659 -0.659 29 2HG ARG -5 HG1 ARG -5 2.236 -2.423 -2.423 30 1HD ARG -5 HD2 ARG -5 1.185 -2.473 -2.473 31 2HD ARG -5 HD1 ARG -5 1.268 -0.712 -0.712 32 HE ARG -5 HE ARG -5 3.859 -1.902 -1.902 33 1HH1 ARG -5 HH21 ARG -5 2.476 0.302 0.302 34 2HH1 ARG -5 HH22 ARG -5 3.212 -0.200 -0.200 35 1HH2 ARG -5 HH11 ARG -5 4.420 -3.180 -3.180 36 2HH2 ARG -5 HH12 ARG -5 4.312 -2.172 -2.172 37 H ALA -4 HN ALA -4 -0.688 -2.647 -2.647 38 HA ALA -4 HA ALA -4 -3.541 -2.705 -2.705 39 1HB ALA -4 HB2 ALA -4 -2.707 -4.643 -4.643 40 2HB ALA -4 HB1 ALA -4 -2.275 -3.559 -3.559 41 3HB ALA -4 HB3 ALA -4 -3.967 -3.773 -3.773 42 H SER -3 HN SER -3 -4.955 -1.886 -1.886 43 HA SER -3 HA SER -3 -4.219 0.962 0.962 44 1HB SER -3 HB2 SER -3 -6.684 -0.373 -0.373 45 2HB SER -3 HB1 SER -3 -6.463 1.322 1.322 46 HG SER -3 HG SER -3 -7.572 -0.333 -0.333 47 H VAL -2 HN VAL -2 -4.594 1.965 1.965 48 HA VAL -2 HA VAL -2 -2.932 0.563 0.563 49 HB VAL -2 HB VAL -2 -4.594 3.067 3.067 50 1HG1 VAL -2 HG11 VAL -2 -3.729 2.012 2.012 51 2HG1 VAL -2 HG13 VAL -2 -2.103 2.014 2.014 52 3HG1 VAL -2 HG12 VAL -2 -2.909 3.541 3.541 53 1HG2 VAL -2 HG22 VAL -2 -1.863 2.618 2.618 54 2HG2 VAL -2 HG21 VAL -2 -3.205 3.562 3.562 55 3HG2 VAL -2 HG23 VAL -2 -2.295 4.159 4.159 56 H GLY -1 HN GLY -1 -3.607 -0.264 -0.264 57 1HA GLY -1 HA2 GLY -1 -6.244 -0.157 -0.157 58 2HA GLY -1 HA1 GLY -1 -6.114 -1.612 -1.612 59 H SER 0 HN SER 0 -5.630 -0.374 -0.374 60 HA SER 0 HA SER 0 -3.413 -2.155 -2.155 61 1HB SER 0 HB2 SER 0 -5.118 -0.136 -0.136 62 2HB SER 0 HB1 SER 0 -4.232 -1.326 -1.326 63 HG SER 0 HG SER 0 -3.214 0.553 0.553 64 H MET 1 HN MET 1 -3.961 -3.395 -3.395 65 HA MET 1 HA MET 1 -6.384 -5.042 -5.042 66 1HB MET 1 HB2 MET 1 -3.651 -5.720 -5.720 67 2HB MET 1 HB1 MET 1 -5.013 -6.664 -6.664 68 1HG MET 1 HG2 MET 1 -5.590 -7.462 -7.462 69 2HG MET 1 HG1 MET 1 -4.761 -6.153 -6.153 70 1HE MET 1 HE3 MET 1 -4.027 -8.173 -8.173 71 2HE MET 1 HE2 MET 1 -2.964 -9.486 -9.486 72 3HE MET 1 HE1 MET 1 -4.623 -9.435 -9.435 73 H GLU 2 HN GLU 2 -6.854 -6.309 -6.309 74 HA GLU 2 HA GLU 2 -6.986 -4.207 -4.207 75 1HB GLU 2 HB2 GLU 2 -9.127 -5.208 -5.208 76 2HB GLU 2 HB1 GLU 2 -9.250 -6.020 -6.020 77 1HG GLU 2 HG2 GLU 2 -9.526 -4.015 -4.015 78 2HG GLU 2 HG1 GLU 2 -8.769 -3.058 -3.058 79 H ALA 3 HN ALA 3 -7.782 -5.442 -5.442 80 HA ALA 3 HA ALA 3 -6.853 -8.195 -8.195 81 1HB ALA 3 HB1 ALA 3 -5.444 -5.910 -5.910 82 2HB ALA 3 HB3 ALA 3 -5.289 -7.575 -7.575 83 3HB ALA 3 HB2 ALA 3 -4.770 -7.131 -7.131 84 H ILE 4 HN ILE 4 -8.399 -9.097 -9.097 85 HA ILE 4 HA ILE 4 -10.399 -7.801 -7.801 86 HB ILE 4 HB ILE 4 -10.704 -10.001 -10.001 87 1HG1 ILE 4 HG12 ILE 4 -10.944 -10.810 -10.810 88 2HG1 ILE 4 HG11 ILE 4 -11.534 -9.169 -9.169 89 1HG2 ILE 4 HG23 ILE 4 -8.328 -10.729 -10.729 90 2HG2 ILE 4 HG22 ILE 4 -8.879 -11.067 -11.067 91 3HG2 ILE 4 HG21 ILE 4 -9.581 -11.935 -11.935 92 1HD1 ILE 4 HD11 ILE 4 -12.297 -11.447 -11.447 93 2HD1 ILE 4 HD13 ILE 4 -13.196 -11.072 -11.072 94 3HD1 ILE 4 HD12 ILE 4 -13.075 -9.876 -9.876 95 H ALA 5 HN ALA 5 -10.420 -6.895 -6.895 96 HA ALA 5 HA ALA 5 -8.236 -7.246 -7.246 97 1HB ALA 5 HB2 ALA 5 -10.881 -5.760 -5.760 98 2HB ALA 5 HB1 ALA 5 -9.805 -5.870 -5.870 99 3HB ALA 5 HB3 ALA 5 -9.257 -5.072 -5.072 100 H LYS 6 HN LYS 6 -8.273 -9.371 -9.371 101 HA LYS 6 HA LYS 6 -10.500 -11.019 -11.019 102 1HB LYS 6 HB2 LYS 6 -7.844 -11.037 -11.037 103 2HB LYS 6 HB1 LYS 6 -8.988 -12.375 -12.375 104 1HG LYS 6 HG2 LYS 6 -8.577 -12.768 -12.768 105 2HG LYS 6 HG1 LYS 6 -7.939 -11.149 -11.149 106 1HD LYS 6 HD2 LYS 6 -6.048 -12.605 -12.605 107 2HD LYS 6 HD1 LYS 6 -6.010 -11.787 -11.787 108 1HE LYS 6 HE2 LYS 6 -7.244 -13.766 -13.766 109 2HE LYS 6 HE1 LYS 6 -7.038 -14.582 -14.582 110 1HZ LYS 6 HZ3 LYS 6 -4.778 -13.482 -13.482 111 2HZ LYS 6 HZ2 LYS 6 -5.307 -15.092 -15.092 112 3HZ LYS 6 HZ1 LYS 6 -4.698 -14.511 -14.511 113 H TYR 7 HN TYR 7 -9.093 -8.512 -8.512 114 HA TYR 7 HA TYR 7 -11.370 -8.850 -8.850 115 1HB TYR 7 HB2 TYR 7 -8.542 -8.544 -8.544 116 2HB TYR 7 HB1 TYR 7 -9.998 -8.866 -8.866 117 HD1 TYR 7 HD2 TYR 7 -7.735 -10.287 -10.287 118 HD2 TYR 7 HD1 TYR 7 -10.751 -11.091 -11.091 119 HE1 TYR 7 HE2 TYR 7 -7.324 -12.711 -12.711 120 HE2 TYR 7 HE1 TYR 7 -10.349 -13.528 -13.528 121 HH TYR 7 HH TYR 7 -9.408 -15.046 -15.046 122 H ASP 8 HN ASP 8 -10.875 -7.048 -7.048 123 HA ASP 8 HA ASP 8 -10.891 -4.544 -4.544 124 1HB ASP 8 HB2 ASP 8 -12.005 -3.621 -3.621 125 2HB ASP 8 HB1 ASP 8 -12.702 -5.219 -5.219 126 H PHE 9 HN PHE 9 -9.791 -2.638 -2.638 127 HA PHE 9 HA PHE 9 -7.668 -2.843 -2.843 128 1HB PHE 9 HB2 PHE 9 -7.009 -4.103 -4.103 129 2HB PHE 9 HB1 PHE 9 -6.209 -2.536 -2.536 130 HD1 PHE 9 HD2 PHE 9 -6.942 -4.778 -4.778 131 HD2 PHE 9 HD1 PHE 9 -3.943 -2.889 -2.889 132 HE1 PHE 9 HE2 PHE 9 -5.177 -5.615 -5.615 133 HE2 PHE 9 HE1 PHE 9 -2.178 -3.723 -3.723 134 HZ PHE 9 HZ PHE 9 -2.795 -5.087 -5.087 135 H LYS 10 HN LYS 10 -6.011 -0.911 -0.911 136 HA LYS 10 HA LYS 10 -7.441 1.307 1.307 137 1HB LYS 10 HB2 LYS 10 -6.952 1.069 1.069 138 2HB LYS 10 HB1 LYS 10 -6.490 2.618 2.618 139 1HG LYS 10 HG2 LYS 10 -8.689 3.131 3.131 140 2HG LYS 10 HG1 LYS 10 -8.905 2.239 2.239 141 1HD LYS 10 HD2 LYS 10 -10.482 1.398 1.398 142 2HD LYS 10 HD1 LYS 10 -9.277 0.157 0.157 143 1HE LYS 10 HE2 LYS 10 -8.188 0.456 0.456 144 2HE LYS 10 HE1 LYS 10 -8.802 2.096 2.096 145 1HZ LYS 10 HZ3 LYS 10 -11.075 0.997 0.997 146 2HZ LYS 10 HZ2 LYS 10 -10.236 -0.461 -0.461 147 3HZ LYS 10 HZ1 LYS 10 -10.049 0.819 0.819 148 H ALA 11 HN ALA 11 -6.098 3.209 3.209 149 HA ALA 11 HA ALA 11 -3.538 2.426 2.426 150 1HB ALA 11 HB3 ALA 11 -5.068 4.379 4.379 151 2HB ALA 11 HB2 ALA 11 -4.280 5.284 5.284 152 3HB ALA 11 HB1 ALA 11 -3.318 4.610 4.610 153 H THR 12 HN THR 12 -1.638 2.385 2.385 154 HA THR 12 HA THR 12 -1.640 3.573 3.573 155 HB THR 12 HB THR 12 0.048 1.937 1.937 156 HG1 THR 12 HG1 THR 12 1.056 0.740 0.740 157 1HG2 THR 12 HG23 THR 12 -2.502 1.308 1.308 158 2HG2 THR 12 HG22 THR 12 -1.813 0.282 0.282 159 3HG2 THR 12 HG21 THR 12 -1.319 0.067 0.067 160 H ALA 13 HN ALA 13 -1.202 5.263 5.263 161 HA ALA 13 HA ALA 13 1.122 6.689 6.689 162 1HB ALA 13 HB1 ALA 13 1.623 4.483 4.483 163 2HB ALA 13 HB3 ALA 13 2.292 6.061 6.061 164 3HB ALA 13 HB2 ALA 13 2.743 5.296 5.296 165 H ASP 14 HN ASP 14 1.627 8.343 8.343 166 HA ASP 14 HA ASP 14 -0.718 9.525 9.525 167 1HB ASP 14 HB2 ASP 14 1.577 10.460 10.460 168 2HB ASP 14 HB1 ASP 14 2.039 10.222 10.222 169 H ASP 15 HN ASP 15 1.673 7.345 7.345 170 HA ASP 15 HA ASP 15 0.563 7.652 7.652 171 1HB ASP 15 HB2 ASP 15 2.641 6.805 6.805 172 2HB ASP 15 HB1 ASP 15 3.012 8.032 8.032 173 H GLU 16 HN GLU 16 -0.664 6.003 6.003 174 HA GLU 16 HA GLU 16 -0.394 3.314 3.314 175 1HB GLU 16 HB2 GLU 16 0.117 3.753 3.753 176 2HB GLU 16 HB1 GLU 16 -1.634 3.728 3.728 177 1HG GLU 16 HG2 GLU 16 -1.791 1.510 1.510 178 2HG GLU 16 HG1 GLU 16 -0.470 1.552 1.552 179 H LEU 17 HN LEU 17 -2.610 2.042 2.042 180 HA LEU 17 HA LEU 17 -4.797 3.878 3.878 181 1HB LEU 17 HB2 LEU 17 -3.560 2.012 2.012 182 2HB LEU 17 HB1 LEU 17 -4.943 1.108 1.108 183 HG LEU 17 HG LEU 17 -5.096 3.816 3.816 184 1HD1 LEU 17 HD11 LEU 17 -5.224 1.000 1.000 185 2HD1 LEU 17 HD13 LEU 17 -6.420 2.121 2.121 186 3HD1 LEU 17 HD12 LEU 17 -4.701 2.460 2.460 187 1HD2 LEU 17 HD22 LEU 17 -7.123 1.924 1.924 188 2HD2 LEU 17 HD21 LEU 17 -6.975 3.666 3.666 189 3HD2 LEU 17 HD23 LEU 17 -7.580 3.028 3.028 190 H SER 18 HN SER 18 -6.707 3.717 3.717 191 HA SER 18 HA SER 18 -7.046 1.708 1.708 192 1HB SER 18 HB2 SER 18 -9.040 3.163 3.163 193 2HB SER 18 HB1 SER 18 -7.529 3.994 3.994 194 HG SER 18 HG SER 18 -9.193 5.058 5.058 195 H PHE 19 HN PHE 19 -8.993 0.347 0.347 196 HA PHE 19 HA PHE 19 -10.913 0.378 0.378 197 1HB PHE 19 HB2 PHE 19 -10.220 -1.729 -1.729 198 2HB PHE 19 HB1 PHE 19 -9.041 -0.435 -0.435 199 HD1 PHE 19 HD1 PHE 19 -9.773 -3.584 -3.584 200 HD2 PHE 19 HD2 PHE 19 -6.841 -0.547 -0.547 201 HE1 PHE 19 HE1 PHE 19 -8.017 -5.014 -5.014 202 HE2 PHE 19 HE2 PHE 19 -5.085 -1.978 -1.978 203 HZ PHE 19 HZ PHE 19 -5.674 -4.211 -4.211 204 H LYS 20 HN LYS 20 -12.179 -1.811 -1.811 205 HA LYS 20 HA LYS 20 -12.217 -2.856 -2.856 206 1HB LYS 20 HB2 LYS 20 -14.569 -2.428 -2.428 207 2HB LYS 20 HB1 LYS 20 -14.643 -2.991 -2.991 208 1HG LYS 20 HG2 LYS 20 -13.238 -0.425 -0.425 209 2HG LYS 20 HG1 LYS 20 -14.994 -0.430 -0.430 210 1HD LYS 20 HD2 LYS 20 -13.908 -1.850 -1.850 211 2HD LYS 20 HD1 LYS 20 -13.532 -0.128 -0.128 212 1HE LYS 20 HE2 LYS 20 -15.657 -0.464 -0.464 213 2HE LYS 20 HE1 LYS 20 -15.949 0.363 0.363 214 1HZ LYS 20 HZ1 LYS 20 -16.322 -1.956 -1.956 215 2HZ LYS 20 HZ3 LYS 20 -16.437 -2.472 -2.472 216 3HZ LYS 20 HZ2 LYS 20 -17.533 -1.323 -1.323 217 H ARG 21 HN ARG 21 -13.666 -4.942 -4.942 218 HA ARG 21 HA ARG 21 -12.330 -6.867 -6.867 219 1HB ARG 21 HB2 ARG 21 -13.010 -7.428 -7.428 220 2HB ARG 21 HB1 ARG 21 -14.690 -7.052 -7.052 221 1HG ARG 21 HG2 ARG 21 -14.691 -8.896 -8.896 222 2HG ARG 21 HG1 ARG 21 -13.041 -9.310 -9.310 223 1HD ARG 21 HD2 ARG 21 -13.835 -10.471 -10.471 224 2HD ARG 21 HD1 ARG 21 -14.653 -9.023 -9.023 225 HE ARG 21 HE ARG 21 -16.655 -10.004 -10.004 226 1HH1 ARG 21 HH11 ARG 21 -16.335 -9.793 -9.793 227 2HH1 ARG 21 HH12 ARG 21 -16.256 -11.435 -11.435 228 1HH2 ARG 21 HH21 ARG 21 -15.538 -12.718 -12.718 229 2HH2 ARG 21 HH22 ARG 21 -15.802 -13.091 -13.091 230 H GLY 22 HN GLY 22 -12.859 -6.958 -6.958 231 1HA GLY 22 HA2 GLY 22 -14.550 -7.766 -7.766 232 2HA GLY 22 HA1 GLY 22 -15.755 -6.836 -6.836 233 H ASP 23 HN ASP 23 -12.972 -4.981 -4.981 234 HA ASP 23 HA ASP 23 -13.970 -3.414 -3.414 235 1HB ASP 23 HB2 ASP 23 -13.088 -2.722 -2.722 236 2HB ASP 23 HB1 ASP 23 -11.782 -2.233 -2.233 237 H ILE 24 HN ILE 24 -13.034 -4.209 -4.209 238 HA ILE 24 HA ILE 24 -10.323 -5.261 -5.261 239 HB ILE 24 HB ILE 24 -11.908 -4.581 -4.581 240 1HG1 ILE 24 HG12 ILE 24 -12.187 -6.929 -6.929 241 2HG1 ILE 24 HG11 ILE 24 -13.458 -5.841 -5.841 242 1HG2 ILE 24 HG21 ILE 24 -9.386 -5.481 -5.481 243 2HG2 ILE 24 HG23 ILE 24 -10.233 -7.020 -7.020 244 3HG2 ILE 24 HG22 ILE 24 -10.400 -5.974 -5.974 245 1HD1 ILE 24 HD11 ILE 24 -12.608 -6.831 -6.831 246 2HD1 ILE 24 HD13 ILE 24 -12.295 -8.210 -8.210 247 3HD1 ILE 24 HD12 ILE 24 -13.922 -7.539 -7.539 248 H LEU 25 HN LEU 25 -8.487 -4.213 -4.213 249 HA LEU 25 HA LEU 25 -8.592 -1.286 -1.286 250 1HB LEU 25 HB2 LEU 25 -6.095 -2.981 -2.981 251 2HB LEU 25 HB1 LEU 25 -6.274 -1.266 -1.266 252 HG LEU 25 HG LEU 25 -6.292 -2.191 -2.191 253 1HD1 LEU 25 HD12 LEU 25 -8.609 -1.061 -1.061 254 2HD1 LEU 25 HD11 LEU 25 -9.208 -2.586 -2.586 255 3HD1 LEU 25 HD13 LEU 25 -8.289 -1.510 -1.510 256 1HD2 LEU 25 HD22 LEU 25 -6.677 -4.585 -4.585 257 2HD2 LEU 25 HD21 LEU 25 -6.817 -4.350 -4.350 258 3HD2 LEU 25 HD23 LEU 25 -8.267 -4.364 -4.364 259 H LYS 26 HN LYS 26 -7.095 -0.201 -0.201 260 HA LYS 26 HA LYS 26 -7.078 -1.757 -1.757 261 1HB LYS 26 HB2 LYS 26 -8.036 0.707 0.707 262 2HB LYS 26 HB1 LYS 26 -6.346 1.147 1.147 263 1HG LYS 26 HG2 LYS 26 -6.314 0.362 0.362 264 2HG LYS 26 HG1 LYS 26 -7.660 -0.744 -0.744 265 1HD LYS 26 HD2 LYS 26 -8.911 1.599 1.599 266 2HD LYS 26 HD1 LYS 26 -7.696 2.154 2.154 267 1HE LYS 26 HE2 LYS 26 -9.625 -0.143 -0.143 268 2HE LYS 26 HE1 LYS 26 -9.760 1.461 1.461 269 1HZ LYS 26 HZ1 LYS 26 -7.594 1.113 1.113 270 2HZ LYS 26 HZ3 LYS 26 -7.523 -0.451 -0.451 271 3HZ LYS 26 HZ2 LYS 26 -8.722 -0.060 -0.060 272 H VAL 27 HN VAL 27 -5.119 -2.920 -2.920 273 HA VAL 27 HA VAL 27 -2.783 -2.077 -2.077 274 HB VAL 27 HB VAL 27 -3.375 -4.405 -4.405 275 1HG1 VAL 27 HG12 VAL 27 -3.509 -3.588 -3.588 276 2HG1 VAL 27 HG11 VAL 27 -1.776 -3.264 -3.264 277 3HG1 VAL 27 HG13 VAL 27 -2.370 -4.918 -4.918 278 1HG2 VAL 27 HG23 VAL 27 -0.574 -3.242 -3.242 279 2HG2 VAL 27 HG22 VAL 27 -1.377 -4.028 -4.028 280 3HG2 VAL 27 HG21 VAL 27 -0.926 -4.970 -4.970 281 H LEU 28 HN LEU 28 -1.763 -0.285 -0.285 282 HA LEU 28 HA LEU 28 -1.723 1.195 1.195 283 1HB LEU 28 HB2 LEU 28 -1.157 1.708 1.708 284 2HB LEU 28 HB1 LEU 28 -0.087 2.562 2.562 285 HG LEU 28 HG LEU 28 -1.942 3.651 3.651 286 1HD1 LEU 28 HD11 LEU 28 -3.503 1.669 1.669 287 2HD1 LEU 28 HD13 LEU 28 -3.803 2.042 2.042 288 3HD1 LEU 28 HD12 LEU 28 -4.272 3.189 3.189 289 1HD2 LEU 28 HD22 LEU 28 -2.301 3.605 3.605 290 2HD2 LEU 28 HD21 LEU 28 -1.211 4.654 4.654 291 3HD2 LEU 28 HD23 LEU 28 -2.953 4.846 4.846 292 H ASN 29 HN ASN 29 0.733 -0.128 -0.128 293 HA ASN 29 HA ASN 29 2.474 -0.753 -0.753 294 1HB ASN 29 HB2 ASN 29 2.648 1.803 1.803 295 2HB ASN 29 HB1 ASN 29 3.772 1.094 1.094 296 1HD2 ASN 29 HD22 ASN 29 4.701 0.903 0.903 297 2HD2 ASN 29 HD21 ASN 29 3.079 1.093 1.093 298 H GLU 30 HN GLU 30 4.630 -1.562 -1.562 299 HA GLU 30 HA GLU 30 4.336 -3.262 -3.262 300 1HB GLU 30 HB2 GLU 30 5.109 -3.911 -3.911 301 2HB GLU 30 HB1 GLU 30 6.674 -3.576 -3.576 302 1HG GLU 30 HG2 GLU 30 6.500 -5.770 -5.770 303 2HG GLU 30 HG1 GLU 30 5.568 -5.062 -5.062 304 H GLU 31 HN GLU 31 7.062 -3.686 -3.686 305 HA GLU 31 HA GLU 31 9.035 -2.741 -2.741 306 1HB GLU 31 HB2 GLU 31 7.870 0.033 0.033 307 2HB GLU 31 HB1 GLU 31 9.564 -0.439 -0.439 308 1HG GLU 31 HG2 GLU 31 9.000 -1.786 -1.786 309 2HG GLU 31 HG1 GLU 31 7.709 -0.593 -0.593 310 H CYS 32 HN CYS 32 9.373 -0.925 -0.925 311 HA CYS 32 HA CYS 32 8.855 -0.395 -0.395 312 1HB CYS 32 HB2 CYS 32 5.999 -1.225 -1.225 313 2HB CYS 32 HB1 CYS 32 6.567 -0.152 -0.152 314 HG CYS 32 HG CYS 32 6.436 1.732 1.732 315 H ASP 33 HN ASP 33 7.190 -1.729 -1.729 316 HA ASP 33 HA ASP 33 8.578 -3.830 -3.830 317 1HB ASP 33 HB2 ASP 33 6.290 -2.735 -2.735 318 2HB ASP 33 HB1 ASP 33 5.639 -4.191 -4.191 319 H GLN 34 HN GLN 34 8.339 -6.133 -6.133 320 HA GLN 34 HA GLN 34 7.904 -7.090 -7.090 321 1HB GLN 34 HB2 GLN 34 9.885 -7.676 -7.676 322 2HB GLN 34 HB1 GLN 34 8.753 -8.908 -8.908 323 1HG GLN 34 HG2 GLN 34 8.482 -9.305 -9.305 324 2HG GLN 34 HG1 GLN 34 10.118 -8.645 -8.645 325 1HE2 GLN 34 HE22 GLN 34 9.518 -12.109 -12.109 326 2HE2 GLN 34 HE21 GLN 34 8.276 -10.953 -10.953 327 H ASN 35 HN ASN 35 5.713 -6.453 -6.453 328 HA ASN 35 HA ASN 35 4.097 -8.822 -8.822 329 1HB ASN 35 HB2 ASN 35 4.921 -7.992 -7.992 330 2HB ASN 35 HB1 ASN 35 3.287 -8.609 -8.609 331 1HD2 ASN 35 HD22 ASN 35 6.360 -11.202 -11.202 332 2HD2 ASN 35 HD21 ASN 35 6.538 -9.565 -9.565 333 H TRP 36 HN TRP 36 4.222 -5.599 -5.599 334 HA TRP 36 HA TRP 36 1.261 -5.369 -5.369 335 1HB TRP 36 HB2 TRP 36 3.150 -3.072 -3.072 336 2HB TRP 36 HB1 TRP 36 1.399 -3.092 -3.092 337 HD1 TRP 36 HD1 TRP 36 4.207 -5.502 -5.502 338 HE1 TRP 36 HE1 TRP 36 3.916 -5.766 -5.766 339 HE3 TRP 36 HE3 TRP 36 0.152 -2.407 -2.407 340 HZ2 TRP 36 HZ2 TRP 36 2.293 -4.810 -4.810 341 HZ3 TRP 36 HZ3 TRP 36 -0.674 -2.098 -2.098 342 HH2 TRP 36 HH2 TRP 36 0.376 -3.301 -3.301 343 H TYR 37 HN TYR 37 0.267 -4.411 -4.411 344 HA TYR 37 HA TYR 37 2.005 -3.728 -3.728 345 1HB TYR 37 HB2 TYR 37 -1.003 -4.083 -4.083 346 2HB TYR 37 HB1 TYR 37 -0.089 -3.775 -3.775 347 HD1 TYR 37 HD2 TYR 37 2.210 -5.601 -5.601 348 HD2 TYR 37 HD1 TYR 37 -1.923 -6.161 -6.161 349 HE1 TYR 37 HE2 TYR 37 2.445 -8.043 -8.043 350 HE2 TYR 37 HE1 TYR 37 -1.707 -8.587 -8.587 351 HH TYR 37 HH TYR 37 -0.124 -10.095 -10.095 352 H LYS 38 HN LYS 38 1.891 -1.672 -1.672 353 HA LYS 38 HA LYS 38 0.673 0.537 0.537 354 1HB LYS 38 HB2 LYS 38 2.730 0.876 0.876 355 2HB LYS 38 HB1 LYS 38 1.787 0.489 0.489 356 1HG LYS 38 HG2 LYS 38 0.183 2.362 2.362 357 2HG LYS 38 HG1 LYS 38 1.542 2.872 2.872 358 1HD LYS 38 HD2 LYS 38 2.333 2.297 2.297 359 2HD LYS 38 HD1 LYS 38 1.122 3.575 3.575 360 1HE LYS 38 HE2 LYS 38 2.682 4.420 4.420 361 2HE LYS 38 HE1 LYS 38 3.908 3.515 3.515 362 1HZ LYS 38 HZ2 LYS 38 3.222 4.756 4.756 363 2HZ LYS 38 HZ1 LYS 38 2.197 5.704 5.704 364 3HZ LYS 38 HZ3 LYS 38 3.873 5.752 5.752 365 H ALA 39 HN ALA 39 -1.346 1.603 1.603 366 HA ALA 39 HA ALA 39 -2.757 0.782 0.782 367 1HB ALA 39 HB2 ALA 39 -3.578 -0.601 -0.601 368 2HB ALA 39 HB1 ALA 39 -4.512 -0.630 -0.630 369 3HB ALA 39 HB3 ALA 39 -2.912 -1.381 -1.381 370 H GLU 40 HN GLU 40 -5.282 1.049 1.049 371 HA GLU 40 HA GLU 40 -5.691 3.312 3.312 372 1HB GLU 40 HB2 GLU 40 -5.341 4.960 4.960 373 2HB GLU 40 HB1 GLU 40 -4.575 3.749 3.749 374 1HG GLU 40 HG2 GLU 40 -6.690 3.389 3.389 375 2HG GLU 40 HG1 GLU 40 -7.523 4.506 4.506 376 H LEU 41 HN LEU 41 -7.659 3.645 3.645 377 HA LEU 41 HA LEU 41 -9.801 1.986 1.986 378 1HB LEU 41 HB2 LEU 41 -9.309 3.022 3.022 379 2HB LEU 41 HB1 LEU 41 -10.993 2.855 2.855 380 HG LEU 41 HG LEU 41 -9.037 0.668 0.668 381 1HD1 LEU 41 HD13 LEU 41 -10.257 1.526 1.526 382 2HD1 LEU 41 HD12 LEU 41 -10.295 -0.201 -0.201 383 3HD1 LEU 41 HD11 LEU 41 -8.752 0.652 0.652 384 1HD2 LEU 41 HD23 LEU 41 -11.308 0.790 0.790 385 2HD2 LEU 41 HD22 LEU 41 -11.054 -0.655 -0.655 386 3HD2 LEU 41 HD21 LEU 41 -12.009 0.685 0.685 387 H ASN 42 HN ASN 42 -10.455 3.062 3.062 388 HA ASN 42 HA ASN 42 -11.455 4.791 4.791 389 1HB ASN 42 HB2 ASN 42 -13.003 4.198 4.198 390 2HB ASN 42 HB1 ASN 42 -13.521 5.581 5.581 391 1HD2 ASN 42 HD22 ASN 42 -13.570 1.877 1.877 392 2HD2 ASN 42 HD21 ASN 42 -12.390 2.205 2.205 393 H GLY 43 HN GLY 43 -9.356 5.936 5.936 394 1HA GLY 43 HA2 GLY 43 -9.329 8.590 8.590 395 2HA GLY 43 HA1 GLY 43 -10.506 8.526 8.526 396 H LYS 44 HN LYS 44 -9.358 6.559 6.559 397 HA LYS 44 HA LYS 44 -7.159 8.018 8.018 398 1HB LYS 44 HB2 LYS 44 -8.842 5.697 5.697 399 2HB LYS 44 HB1 LYS 44 -7.232 5.870 5.870 400 1HG LYS 44 HG2 LYS 44 -7.711 7.980 7.980 401 2HG LYS 44 HG1 LYS 44 -9.156 8.177 8.177 402 1HD LYS 44 HD2 LYS 44 -8.820 6.115 6.115 403 2HD LYS 44 HD1 LYS 44 -9.749 7.607 7.607 404 1HE LYS 44 HE2 LYS 44 -10.645 6.283 6.283 405 2HE LYS 44 HE1 LYS 44 -10.584 5.075 5.075 406 1HZ LYS 44 HZ3 LYS 44 -11.914 7.722 7.722 407 2HZ LYS 44 HZ2 LYS 44 -12.712 6.250 6.250 408 3HZ LYS 44 HZ1 LYS 44 -11.905 6.508 6.508 409 H ASP 45 HN ASP 45 -5.261 6.695 6.695 410 HA ASP 45 HA ASP 45 -4.651 4.521 4.521 411 1HB ASP 45 HB2 ASP 45 -3.312 5.554 5.554 412 2HB ASP 45 HB1 ASP 45 -4.465 6.831 6.831 413 H GLY 46 HN GLY 46 -2.089 4.172 4.172 414 1HA GLY 46 HA2 GLY 46 -0.132 4.489 4.489 415 2HA GLY 46 HA1 GLY 46 -1.255 4.472 4.472 416 H PHE 47 HN PHE 47 0.640 2.763 2.763 417 HA PHE 47 HA PHE 47 0.455 0.209 0.209 418 1HB PHE 47 HB2 PHE 47 1.528 0.668 0.668 419 2HB PHE 47 HB1 PHE 47 2.026 -0.545 -0.545 420 HD1 PHE 47 HD1 PHE 47 2.287 1.096 1.096 421 HD2 PHE 47 HD2 PHE 47 3.460 1.946 1.946 422 HE1 PHE 47 HE1 PHE 47 4.028 2.654 2.654 423 HE2 PHE 47 HE2 PHE 47 5.200 3.502 3.502 424 HZ PHE 47 HZ PHE 47 5.485 3.857 3.857 425 H ILE 48 HN ILE 48 -0.251 -1.805 -1.805 426 HA ILE 48 HA ILE 48 -2.116 -1.638 -1.638 427 HB ILE 48 HB ILE 48 -3.778 -3.058 -3.058 428 1HG1 ILE 48 HG12 ILE 48 -2.247 -2.149 -2.149 429 2HG1 ILE 48 HG11 ILE 48 -2.067 -3.757 -3.757 430 1HG2 ILE 48 HG23 ILE 48 -3.892 -0.523 -0.523 431 2HG2 ILE 48 HG22 ILE 48 -3.283 -0.423 -0.423 432 3HG2 ILE 48 HG21 ILE 48 -4.828 -1.208 -1.208 433 1HD1 ILE 48 HD11 ILE 48 -4.796 -3.536 -3.536 434 2HD1 ILE 48 HD13 ILE 48 -4.291 -2.620 -2.620 435 3HD1 ILE 48 HD12 ILE 48 -3.791 -4.299 -4.299 436 HA PRO 49 HA PRO 49 0.203 -5.341 -5.341 437 1HB PRO 49 HB2 PRO 49 -1.370 -6.439 -6.439 438 2HB PRO 49 HB1 PRO 49 -0.178 -5.152 -5.152 439 1HG PRO 49 HG2 PRO 49 -3.172 -4.957 -4.957 440 2HG PRO 49 HG1 PRO 49 -2.034 -3.934 -3.934 441 1HD PRO 49 HD2 PRO 49 -3.206 -3.221 -3.221 442 2HD PRO 49 HD1 PRO 49 -1.771 -2.481 -2.481 443 H LYS 50 HN LYS 50 0.052 -6.665 -6.665 444 HA LYS 50 HA LYS 50 -2.123 -7.782 -7.782 445 1HB LYS 50 HB2 LYS 50 0.193 -7.730 -7.730 446 2HB LYS 50 HB1 LYS 50 0.651 -8.892 -8.892 447 1HG LYS 50 HG2 LYS 50 -1.118 -10.432 -10.432 448 2HG LYS 50 HG1 LYS 50 -1.054 -9.324 -9.324 449 1HD LYS 50 HD2 LYS 50 1.119 -9.889 -9.889 450 2HD LYS 50 HD1 LYS 50 1.550 -10.232 -10.232 451 1HE LYS 50 HE2 LYS 50 -0.269 -12.195 -12.195 452 2HE LYS 50 HE1 LYS 50 0.336 -12.016 -12.016 453 1HZ LYS 50 HZ1 LYS 50 2.629 -12.052 -12.052 454 2HZ LYS 50 HZ3 LYS 50 1.786 -12.804 -12.804 455 3HZ LYS 50 HZ2 LYS 50 1.809 -13.513 -13.513 456 H ASN 51 HN ASN 51 -0.892 -8.755 -8.755 457 HA ASN 51 HA ASN 51 -1.642 -11.418 -11.418 458 1HB ASN 51 HB2 ASN 51 -1.058 -9.390 -9.390 459 2HB ASN 51 HB1 ASN 51 -1.885 -10.799 -10.799 460 1HD2 ASN 51 HD22 ASN 51 0.949 -12.920 -12.920 461 2HD2 ASN 51 HD21 ASN 51 -0.721 -12.854 -12.854 462 H TYR 52 HN TYR 52 -3.439 -8.524 -8.524 463 HA TYR 52 HA TYR 52 -5.925 -10.045 -10.045 464 1HB TYR 52 HB2 TYR 52 -5.190 -7.122 -7.122 465 2HB TYR 52 HB1 TYR 52 -6.846 -7.655 -7.655 466 HD1 TYR 52 HD1 TYR 52 -4.239 -9.763 -9.763 467 HD2 TYR 52 HD2 TYR 52 -7.069 -6.619 -6.619 468 HE1 TYR 52 HE1 TYR 52 -4.051 -9.996 -9.996 469 HE2 TYR 52 HE2 TYR 52 -6.893 -6.845 -6.845 470 HH TYR 52 HH TYR 52 -6.238 -8.440 -8.440 471 H ILE 53 HN ILE 53 -4.559 -10.086 -10.086 472 HA ILE 53 HA ILE 53 -6.701 -9.128 -9.128 473 HB ILE 53 HB ILE 53 -4.128 -8.254 -8.254 474 1HG1 ILE 53 HG12 ILE 53 -5.554 -6.569 -6.569 475 2HG1 ILE 53 HG11 ILE 53 -4.106 -7.502 -7.502 476 1HG2 ILE 53 HG23 ILE 53 -6.953 -7.358 -7.358 477 2HG2 ILE 53 HG22 ILE 53 -5.685 -6.230 -6.230 478 3HG2 ILE 53 HG21 ILE 53 -5.875 -7.720 -7.720 479 1HD1 ILE 53 HD13 ILE 53 -3.797 -5.952 -5.952 480 2HD1 ILE 53 HD12 ILE 53 -4.200 -4.923 -4.923 481 3HD1 ILE 53 HD11 ILE 53 -2.788 -5.967 -5.967 482 H GLU 54 HN GLU 54 -6.271 -9.591 -9.591 483 HA GLU 54 HA GLU 54 -4.396 -11.675 -11.675 484 1HB GLU 54 HB2 GLU 54 -7.230 -12.168 -12.168 485 2HB GLU 54 HB1 GLU 54 -6.630 -12.681 -12.681 486 1HG GLU 54 HG2 GLU 54 -5.083 -14.185 -14.185 487 2HG GLU 54 HG1 GLU 54 -5.164 -13.411 -13.411 488 H MET 55 HN MET 55 -4.082 -11.873 -11.873 489 HA MET 55 HA MET 55 -4.699 -9.334 -9.334 490 1HB MET 55 HB2 MET 55 -2.382 -10.360 -10.360 491 2HB MET 55 HB1 MET 55 -2.971 -11.582 -11.582 492 1HG MET 55 HG2 MET 55 -3.716 -9.650 -9.650 493 2HG MET 55 HG1 MET 55 -2.767 -8.599 -8.599 494 1HE MET 55 HE1 MET 55 -2.163 -8.294 -8.294 495 2HE MET 55 HE3 MET 55 -0.840 -7.763 -7.763 496 3HE MET 55 HE2 MET 55 -0.501 -8.728 -8.728 497 H LYS 56 HN LYS 56 -6.593 -9.278 -9.278 498 HA LYS 56 HA LYS 56 -7.344 -11.601 -11.601 499 1HB LYS 56 HB2 LYS 56 -8.828 -9.517 -9.517 500 2HB LYS 56 HB1 LYS 56 -9.514 -10.147 -10.147 501 1HG LYS 56 HG2 LYS 56 -9.475 -12.390 -12.390 502 2HG LYS 56 HG1 LYS 56 -8.471 -11.912 -11.912 503 1HD LYS 56 HD2 LYS 56 -10.826 -12.226 -12.226 504 2HD LYS 56 HD1 LYS 56 -10.320 -10.551 -10.551 505 1HE LYS 56 HE2 LYS 56 -11.367 -9.979 -9.979 506 2HE LYS 56 HE1 LYS 56 -11.891 -11.654 -11.654 507 1HZ LYS 56 HZ2 LYS 56 -12.601 -10.140 -10.140 508 2HZ LYS 56 HZ1 LYS 56 -13.512 -9.945 -9.945 509 3HZ LYS 56 HZ3 LYS 56 -13.389 -11.473 -11.473 510 HA PRO 57 HA PRO 57 -6.702 -9.331 -9.331 511 1HB PRO 57 HB2 PRO 57 -8.316 -10.646 -10.646 512 2HB PRO 57 HB1 PRO 57 -6.745 -11.253 -11.253 513 1HG PRO 57 HG2 PRO 57 -9.458 -12.116 -12.116 514 2HG PRO 57 HG1 PRO 57 -7.946 -13.003 -13.003 515 1HD PRO 57 HD2 PRO 57 -9.248 -11.804 -11.804 516 2HD PRO 57 HD1 PRO 57 -7.598 -12.464 -12.464 517 H HIS 58 HN HIS 58 -10.086 -10.235 -10.235 518 HA HIS 58 HA HIS 58 -11.029 -7.482 -7.482 519 1HB HIS 58 HB2 HIS 58 -11.272 -8.821 -8.821 520 2HB HIS 58 HB1 HIS 58 -11.983 -7.272 -7.272 521 HD1 HIS 58 HD1 HIS 58 -10.396 -5.236 -5.236 522 HD2 HIS 58 HD2 HIS 58 -8.441 -8.760 -8.760 523 HE1 HIS 58 HE1 HIS 58 -8.062 -4.569 -4.569 524 HA PRO 59 HA PRO 59 -14.174 -10.618 -10.618 525 1HB PRO 59 HB2 PRO 59 -15.281 -9.177 -9.177 526 2HB PRO 59 HB1 PRO 59 -13.861 -10.222 -10.222 527 1HG PRO 59 HG2 PRO 59 -13.993 -7.239 -7.239 528 2HG PRO 59 HG1 PRO 59 -12.796 -8.282 -8.282 529 1HD PRO 59 HD2 PRO 59 -12.449 -6.945 -6.945 530 2HD PRO 59 HD1 PRO 59 -11.427 -8.257 -8.257 531 H GLU 60 HN GLU 60 -14.512 -7.180 -7.180 532 HA GLU 60 HA GLU 60 -17.338 -7.671 -7.671 533 1HB GLU 60 HB2 GLU 60 -16.076 -5.043 -5.043 534 2HB GLU 60 HB1 GLU 60 -17.768 -5.299 -5.299 535 1HG GLU 60 HG2 GLU 60 -17.499 -7.193 -7.193 536 2HG GLU 60 HG1 GLU 60 -16.315 -6.020 -6.020 537 H PHE 61 HN PHE 61 -18.000 -6.592 -6.592 538 HA PHE 61 HA PHE 61 -15.710 -5.807 -5.807 539 1HB PHE 61 HB2 PHE 61 -18.210 -7.335 -7.335 540 2HB PHE 61 HB1 PHE 61 -16.909 -6.851 -6.851 541 HD1 PHE 61 HD2 PHE 61 -14.533 -7.701 -7.701 542 HD2 PHE 61 HD1 PHE 61 -18.076 -9.356 -9.356 543 HE1 PHE 61 HE2 PHE 61 -13.280 -9.760 -9.760 544 HE2 PHE 61 HE1 PHE 61 -16.824 -11.416 -11.416 545 HZ PHE 61 HZ PHE 61 -14.425 -11.618 -11.618 546 H ILE 62 HN ILE 62 -19.289 -5.751 -5.751 547 HA ILE 62 HA ILE 62 -19.156 -2.791 -2.791 548 HB ILE 62 HB ILE 62 -20.819 -4.609 -4.609 549 1HG1 ILE 62 HG12 ILE 62 -19.091 -3.465 -3.465 550 2HG1 ILE 62 HG11 ILE 62 -18.064 -3.483 -3.483 551 1HG2 ILE 62 HG21 ILE 62 -20.385 -1.636 -1.636 552 2HG2 ILE 62 HG23 ILE 62 -20.857 -2.356 -2.356 553 3HG2 ILE 62 HG22 ILE 62 -21.902 -2.526 -2.526 554 1HD1 ILE 62 HD13 ILE 62 -19.054 -5.994 -5.994 555 2HD1 ILE 62 HD12 ILE 62 -19.101 -5.752 -5.752 556 3HD1 ILE 62 HD11 ILE 62 -17.577 -5.594 -5.594 557 H VAL 63 HN VAL 63 -20.995 -1.710 -1.710 558 HA VAL 63 HA VAL 63 -22.485 -3.072 -3.072 559 HB VAL 63 HB VAL 63 -23.796 -0.934 -0.934 560 1HG1 VAL 63 HG11 VAL 63 -20.771 -0.791 -0.791 561 2HG1 VAL 63 HG13 VAL 63 -21.783 0.498 0.498 562 3HG1 VAL 63 HG12 VAL 63 -21.782 -1.092 -1.092 563 1HG2 VAL 63 HG23 VAL 63 -22.609 -0.648 -0.648 564 2HG2 VAL 63 HG22 VAL 63 -23.927 0.262 0.262 565 3HG2 VAL 63 HG21 VAL 63 -22.257 0.753 0.753 566 H THR 64 HN THR 64 -24.300 -4.278 -4.278 567 HA THR 64 HA THR 64 -25.575 -4.579 -4.579 568 HB THR 64 HB THR 64 -25.385 -6.505 -6.505 569 HG1 THR 64 HG1 THR 64 -27.123 -6.728 -6.728 570 1HG2 THR 64 HG23 THR 64 -26.024 -4.681 -4.681 571 2HG2 THR 64 HG22 THR 64 -27.474 -5.677 -5.677 572 3HG2 THR 64 HG21 THR 64 -25.913 -6.430 -6.430 573 H ASP 65 HN ASP 65 -26.225 -2.776 -2.776 574 HA ASP 65 HA ASP 65 -28.694 -1.686 -1.686 575 1HB ASP 65 HB2 ASP 65 -29.096 -3.134 -3.134 576 2HB ASP 65 HB1 ASP 65 -28.236 -1.907 -1.907 577 1H SER 1 HT3 SER 1 -10.542 -17.045 -17.045 578 2H SER 1 HT2 SER 1 -10.375 -15.421 -15.421 579 3H SER 1 HT1 SER 1 -9.260 -16.584 -16.584 580 HA SER 1 HA SER 1 -8.459 -16.923 -16.923 581 1HB SER 1 HB2 SER 1 -8.577 -14.053 -14.053 582 2HB SER 1 HB1 SER 1 -7.539 -14.591 -14.591 583 HG SER 1 HG SER 1 -6.377 -15.784 -15.784 584 HA PRO 2 HA PRO 2 -11.306 -15.844 -15.844 585 1HB PRO 2 HB2 PRO 2 -9.643 -16.049 -16.049 586 2HB PRO 2 HB1 PRO 2 -10.297 -17.449 -17.449 587 1HG PRO 2 HG2 PRO 2 -7.524 -16.349 -16.349 588 2HG PRO 2 HG1 PRO 2 -8.081 -17.997 -17.997 589 1HD PRO 2 HD2 PRO 2 -7.365 -16.032 -16.032 590 2HD PRO 2 HD1 PRO 2 -8.168 -17.584 -17.584 591 H LEU 3 HN LEU 3 -8.467 -13.937 -13.937 592 HA LEU 3 HA LEU 3 -9.761 -11.536 -11.536 593 1HB LEU 3 HB2 LEU 3 -7.918 -10.986 -10.986 594 2HB LEU 3 HB1 LEU 3 -8.923 -12.344 -12.344 595 HG LEU 3 HG LEU 3 -7.008 -13.653 -13.653 596 1HD1 LEU 3 HD12 LEU 3 -5.914 -11.023 -11.023 597 2HD1 LEU 3 HD11 LEU 3 -4.911 -12.408 -12.408 598 3HD1 LEU 3 HD13 LEU 3 -5.363 -12.144 -12.144 599 1HD2 LEU 3 HD21 LEU 3 -7.795 -14.168 -14.168 600 2HD2 LEU 3 HD23 LEU 3 -6.037 -14.256 -14.256 601 3HD2 LEU 3 HD22 LEU 3 -6.800 -12.851 -12.851 602 H LEU 4 HN LEU 4 -8.882 -9.703 -9.703 603 HA LEU 4 HA LEU 4 -6.408 -10.091 -10.091 604 1HB LEU 4 HB2 LEU 4 -9.087 -8.999 -8.999 605 2HB LEU 4 HB1 LEU 4 -7.687 -8.149 -8.149 606 HG LEU 4 HG LEU 4 -6.820 -10.370 -10.370 607 1HD1 LEU 4 HD11 LEU 4 -9.405 -11.213 -11.213 608 2HD1 LEU 4 HD13 LEU 4 -8.885 -12.035 -12.035 609 3HD1 LEU 4 HD12 LEU 4 -7.854 -12.052 -12.052 610 1HD2 LEU 4 HD22 LEU 4 -8.533 -8.643 -8.643 611 2HD2 LEU 4 HD21 LEU 4 -7.928 -10.094 -10.094 612 3HD2 LEU 4 HD23 LEU 4 -9.518 -10.106 -10.106 613 HA PRO 5 HA PRO 5 -5.702 -6.545 -6.545 614 1HB PRO 5 HB2 PRO 5 -3.040 -7.072 -7.072 615 2HB PRO 5 HB1 PRO 5 -4.358 -7.789 -7.789 616 1HG PRO 5 HG2 PRO 5 -2.647 -9.057 -9.057 617 2HG PRO 5 HG1 PRO 5 -3.514 -9.812 -9.812 618 1HD PRO 5 HD2 PRO 5 -4.349 -9.789 -9.789 619 2HD PRO 5 HD1 PRO 5 -5.335 -10.269 -10.269 620 H LYS 6 HN LYS 6 -2.620 -7.270 -7.270 621 HA LYS 6 HA LYS 6 -3.072 -5.101 -5.101 622 1HB LYS 6 HB2 LYS 6 -0.767 -5.017 -5.017 623 2HB LYS 6 HB1 LYS 6 -1.087 -3.850 -3.850 624 1HG LYS 6 HG2 LYS 6 -3.361 -3.466 -3.466 625 2HG LYS 6 HG1 LYS 6 -2.734 -4.371 -4.371 626 1HD LYS 6 HD2 LYS 6 -1.231 -2.026 -2.026 627 2HD LYS 6 HD1 LYS 6 -2.474 -1.808 -1.808 628 1HE LYS 6 HE2 LYS 6 -0.460 -3.914 -3.914 629 2HE LYS 6 HE1 LYS 6 0.133 -2.253 -2.253 630 1HZ LYS 6 HZ1 LYS 6 -2.241 -3.235 -3.235 631 2HZ LYS 6 HZ3 LYS 6 -0.703 -3.001 -3.001 632 3HZ LYS 6 HZ2 LYS 6 -1.576 -1.673 -1.673 633 H LEU 7 HN LEU 7 -0.491 -4.822 -4.822 634 HA LEU 7 HA LEU 7 0.323 -7.616 -7.616 635 1HB LEU 7 HB2 LEU 7 -0.445 -5.341 -5.341 636 2HB LEU 7 HB1 LEU 7 1.019 -6.193 -6.193 637 HG LEU 7 HG LEU 7 -1.560 -7.627 -7.627 638 1HD1 LEU 7 HD12 LEU 7 -0.511 -6.613 -6.613 639 2HD1 LEU 7 HD11 LEU 7 -1.775 -7.836 -7.836 640 3HD1 LEU 7 HD13 LEU 7 -2.049 -6.207 -6.207 641 1HD2 LEU 7 HD22 LEU 7 1.069 -8.366 -8.366 642 2HD2 LEU 7 HD21 LEU 7 0.299 -9.111 -9.111 643 3HD2 LEU 7 HD23 LEU 7 -0.380 -9.351 -9.351 644 HA PRO 8 HA PRO 8 4.055 -5.442 -5.442 645 1HB PRO 8 HB2 PRO 8 5.214 -7.653 -7.653 646 2HB PRO 8 HB1 PRO 8 4.046 -6.613 -6.613 647 1HG PRO 8 HG2 PRO 8 3.642 -9.341 -9.341 648 2HG PRO 8 HG1 PRO 8 2.778 -8.544 -8.544 649 1HD PRO 8 HD2 PRO 8 1.837 -8.826 -8.826 650 2HD PRO 8 HD1 PRO 8 1.150 -7.760 -7.760 651 HA PRO 9 HA PRO 9 6.209 -7.079 -7.079 652 1HB PRO 9 HB2 PRO 9 8.156 -5.145 -5.145 653 2HB PRO 9 HB1 PRO 9 6.509 -4.922 -4.922 654 1HG PRO 9 HG2 PRO 9 7.757 -3.800 -3.800 655 2HG PRO 9 HG1 PRO 9 6.415 -3.163 -3.163 656 1HD PRO 9 HD2 PRO 9 6.175 -4.559 -4.559 657 2HD PRO 9 HD1 PRO 9 4.855 -4.199 -4.199 658 H LYS 10 HN LYS 10 8.624 -7.607 -7.607 659 HA LYS 10 HA LYS 10 10.569 -8.767 -8.767 660 1HB LYS 10 HB2 LYS 10 10.217 -6.708 -6.708 661 2HB LYS 10 HB1 LYS 10 11.333 -8.028 -8.028 662 1HG LYS 10 HG2 LYS 10 12.784 -7.448 -7.448 663 2HG LYS 10 HG1 LYS 10 11.515 -6.683 -6.683 664 1HD LYS 10 HD2 LYS 10 11.407 -4.976 -4.976 665 2HD LYS 10 HD1 LYS 10 13.019 -5.585 -5.585 666 1HE LYS 10 HE2 LYS 10 12.175 -4.493 -4.493 667 2HE LYS 10 HE1 LYS 10 13.089 -3.591 -3.591 668 1HZ LYS 10 HZ1 LYS 10 14.741 -5.457 -5.457 669 2HZ LYS 10 HZ3 LYS 10 13.922 -6.032 -6.032 670 3HZ LYS 10 HZ2 LYS 10 14.653 -4.499 -4.499 671 H THR 11 HN THR 11 11.450 -10.251 -10.251 672 HA THR 11 HA THR 11 9.156 -11.549 -11.549 673 HB THR 11 HB THR 11 10.465 -13.743 -13.743 674 HG1 THR 11 HG1 THR 11 11.683 -13.626 -13.626 675 1HG2 THR 11 HG22 THR 11 8.225 -12.934 -12.934 676 2HG2 THR 11 HG21 THR 11 9.140 -12.400 -12.400 677 3HG2 THR 11 HG23 THR 11 9.112 -14.108 -14.108 678 H TYR 12 HN TYR 12 12.727 -11.793 -11.793 679 HA TYR 12 HA TYR 12 13.123 -11.064 -11.064 680 1HB TYR 12 HB2 TYR 12 12.263 -13.440 -13.440 681 2HB TYR 12 HB1 TYR 12 13.700 -13.946 -13.946 682 HD1 TYR 12 HD1 TYR 12 12.931 -11.613 -11.613 683 HD2 TYR 12 HD2 TYR 12 15.423 -14.763 -14.763 684 HE1 TYR 12 HE1 TYR 12 14.242 -11.593 -11.593 685 HE2 TYR 12 HE2 TYR 12 16.735 -14.742 -14.742 686 HH TYR 12 HH TYR 12 17.225 -13.015 -13.015 687 H LYS 13 HN LYS 13 14.712 -13.226 -13.226 688 HA LYS 13 HA LYS 13 17.347 -12.232 -12.232 689 1HB LYS 13 HB2 LYS 13 16.106 -13.807 -13.807 690 2HB LYS 13 HB1 LYS 13 17.772 -13.240 -13.240 691 1HG LYS 13 HG2 LYS 13 17.845 -14.277 -14.277 692 2HG LYS 13 HG1 LYS 13 16.609 -15.315 -15.315 693 1HD LYS 13 HD2 LYS 13 18.659 -16.422 -16.422 694 2HD LYS 13 HD1 LYS 13 18.240 -15.612 -15.612 695 1HE LYS 13 HE2 LYS 13 20.475 -14.991 -14.991 696 2HE LYS 13 HE1 LYS 13 19.649 -13.631 -13.631 697 1HZ LYS 13 HZ1 LYS 13 19.937 -14.728 -14.728 698 2HZ LYS 13 HZ3 LYS 13 20.780 -15.994 -15.994 699 3HZ LYS 13 HZ2 LYS 13 21.431 -14.425 -14.425 700 H ARG 14 HN ARG 14 18.654 -11.256 -11.256 701 HA ARG 14 HA ARG 14 19.016 -9.513 -9.513 702 1HB ARG 14 HB2 ARG 14 16.435 -10.274 -10.274 703 2HB ARG 14 HB1 ARG 14 16.235 -8.570 -8.570 704 1HG ARG 14 HG2 ARG 14 17.523 -7.858 -7.858 705 2HG ARG 14 HG1 ARG 14 18.581 -9.267 -9.267 706 1HD ARG 14 HD2 ARG 14 16.690 -10.648 -10.648 707 2HD ARG 14 HD1 ARG 14 15.774 -9.157 -9.157 708 HE ARG 14 HE ARG 14 18.422 -9.139 -9.139 709 1HH1 ARG 14 HH21 ARG 14 15.299 -8.258 -8.258 710 2HH1 ARG 14 HH22 ARG 14 15.157 -8.841 -8.841 711 1HH2 ARG 14 HH11 ARG 14 18.153 -10.585 -10.585 712 2HH2 ARG 14 HH12 ARG 14 16.774 -10.158 -10.158 713 H GLU 15 HN GLU 15 16.094 -8.206 -8.206 714 HA GLU 15 HA GLU 15 17.510 -6.711 -6.711 715 1HB GLU 15 HB2 GLU 15 17.457 -5.564 -5.564 716 2HB GLU 15 HB1 GLU 15 16.706 -4.494 -4.494 717 1HG GLU 15 HG2 GLU 15 18.667 -4.191 -4.191 718 2HG GLU 15 HG1 GLU 15 19.302 -5.776 -5.776 Start of MODEL 25 1 1H GLY -8 HT1 GLY -8 10.576 -4.132 -4.132 2 2H GLY -8 HT3 GLY -8 9.740 -3.279 -3.279 3 3H GLY -8 HT2 GLY -8 9.702 -4.977 -4.977 4 1HA GLY -8 HA1 GLY -8 8.531 -4.667 -4.667 5 2HA GLY -8 HA2 GLY -8 7.508 -4.324 -4.324 6 H SER -7 HN SER -7 9.796 -1.967 -1.967 7 HA SER -7 HA SER -7 9.827 -0.205 -0.205 8 1HB SER -7 HB2 SER -7 10.126 -2.403 -2.403 9 2HB SER -7 HB1 SER -7 8.535 -1.941 -1.941 10 HG SER -7 HG SER -7 10.222 -0.982 -0.982 11 H ARG -6 HN ARG -6 8.139 0.937 0.937 12 HA ARG -6 HA ARG -6 5.338 0.521 0.521 13 1HB ARG -6 HB2 ARG -6 6.821 2.217 2.217 14 2HB ARG -6 HB1 ARG -6 5.286 2.855 2.855 15 1HG ARG -6 HG2 ARG -6 4.299 1.550 1.550 16 2HG ARG -6 HG1 ARG -6 4.698 0.185 0.185 17 1HD ARG -6 HD2 ARG -6 6.323 -0.553 -0.553 18 2HD ARG -6 HD1 ARG -6 6.948 1.074 1.074 19 HE ARG -6 HE ARG -6 5.409 1.313 1.313 20 1HH1 ARG -6 HH11 ARG -6 2.937 0.326 0.326 21 2HH1 ARG -6 HH12 ARG -6 2.950 -1.316 -1.316 22 1HH2 ARG -6 HH21 ARG -6 6.383 -1.677 -1.677 23 2HH2 ARG -6 HH22 ARG -6 4.900 -2.450 -2.450 24 H ARG -5 HN ARG -5 4.702 1.235 1.235 25 HA ARG -5 HA ARG -5 5.884 3.776 3.776 26 1HB ARG -5 HB2 ARG -5 4.590 1.420 1.420 27 2HB ARG -5 HB1 ARG -5 4.922 2.946 2.946 28 1HG ARG -5 HG2 ARG -5 7.086 1.501 1.501 29 2HG ARG -5 HG1 ARG -5 6.720 1.085 1.085 30 1HD ARG -5 HD2 ARG -5 7.044 3.979 3.979 31 2HD ARG -5 HD1 ARG -5 8.505 2.990 2.990 32 HE ARG -5 HE ARG -5 6.874 3.593 3.593 33 1HH1 ARG -5 HH21 ARG -5 7.141 1.186 1.186 34 2HH1 ARG -5 HH22 ARG -5 8.808 0.895 0.895 35 1HH2 ARG -5 HH11 ARG -5 9.977 3.446 3.446 36 2HH2 ARG -5 HH12 ARG -5 10.414 2.174 2.174 37 H ALA -4 HN ALA -4 3.723 3.624 3.624 38 HA ALA -4 HA ALA -4 1.895 5.513 5.513 39 1HB ALA -4 HB1 ALA -4 1.202 3.046 3.046 40 2HB ALA -4 HB3 ALA -4 0.443 3.033 3.033 41 3HB ALA -4 HB2 ALA -4 -0.012 4.258 4.258 42 H SER -3 HN SER -3 -0.292 5.161 5.161 43 HA SER -3 HA SER -3 0.892 5.012 5.012 44 1HB SER -3 HB2 SER -3 -0.260 7.177 7.177 45 2HB SER -3 HB1 SER -3 1.086 7.363 7.363 46 HG SER -3 HG SER -3 -1.696 7.390 7.390 47 H VAL -2 HN VAL -2 -0.834 3.154 3.154 48 HA VAL -2 HA VAL -2 -3.122 3.276 3.276 49 HB VAL -2 HB VAL -2 -4.767 2.837 2.837 50 1HG1 VAL -2 HG11 VAL -2 -4.389 5.107 5.107 51 2HG1 VAL -2 HG13 VAL -2 -3.300 5.469 5.469 52 3HG1 VAL -2 HG12 VAL -2 -5.007 5.158 5.158 53 1HG2 VAL -2 HG22 VAL -2 -2.282 3.327 3.327 54 2HG2 VAL -2 HG21 VAL -2 -3.533 2.104 2.104 55 3HG2 VAL -2 HG23 VAL -2 -3.852 3.782 3.782 56 H GLY -1 HN GLY -1 -2.682 1.309 1.309 57 1HA GLY -1 HA2 GLY -1 -3.357 -1.130 -1.130 58 2HA GLY -1 HA1 GLY -1 -1.625 -0.954 -0.954 59 H SER 0 HN SER 0 -4.053 -0.829 -0.829 60 HA SER 0 HA SER 0 -1.941 -1.901 -1.901 61 1HB SER 0 HB2 SER 0 -3.759 -0.903 -0.903 62 2HB SER 0 HB1 SER 0 -2.416 0.056 0.056 63 HG SER 0 HG SER 0 -5.112 0.251 0.251 64 H MET 1 HN MET 1 -3.073 -3.091 -3.091 65 HA MET 1 HA MET 1 -5.284 -4.774 -4.774 66 1HB MET 1 HB2 MET 1 -2.749 -5.511 -5.511 67 2HB MET 1 HB1 MET 1 -4.191 -6.471 -6.471 68 1HG MET 1 HG2 MET 1 -3.103 -7.520 -7.520 69 2HG MET 1 HG1 MET 1 -4.522 -6.689 -6.689 70 1HE MET 1 HE1 MET 1 -4.623 -5.334 -5.334 71 2HE MET 1 HE3 MET 1 -3.304 -4.774 -4.774 72 3HE MET 1 HE2 MET 1 -3.612 -6.499 -6.499 73 H GLU 2 HN GLU 2 -6.078 -6.129 -6.129 74 HA GLU 2 HA GLU 2 -6.610 -4.041 -4.041 75 1HB GLU 2 HB2 GLU 2 -8.438 -5.307 -5.307 76 2HB GLU 2 HB1 GLU 2 -8.683 -6.040 -6.040 77 1HG GLU 2 HG2 GLU 2 -9.264 -3.998 -3.998 78 2HG GLU 2 HG1 GLU 2 -8.486 -3.052 -3.052 79 H ALA 3 HN ALA 3 -7.444 -5.287 -5.287 80 HA ALA 3 HA ALA 3 -6.388 -7.981 -7.981 81 1HB ALA 3 HB1 ALA 3 -5.021 -5.608 -5.608 82 2HB ALA 3 HB3 ALA 3 -5.151 -7.018 -7.018 83 3HB ALA 3 HB2 ALA 3 -4.358 -7.163 -7.163 84 H ILE 4 HN ILE 4 -7.936 -8.961 -8.961 85 HA ILE 4 HA ILE 4 -10.091 -7.782 -7.782 86 HB ILE 4 HB ILE 4 -10.221 -9.978 -9.978 87 1HG1 ILE 4 HG12 ILE 4 -10.557 -10.825 -10.825 88 2HG1 ILE 4 HG11 ILE 4 -11.250 -9.234 -9.234 89 1HG2 ILE 4 HG22 ILE 4 -7.768 -10.446 -10.446 90 2HG2 ILE 4 HG21 ILE 4 -8.672 -11.216 -11.216 91 3HG2 ILE 4 HG23 ILE 4 -8.897 -11.750 -11.750 92 1HD1 ILE 4 HD11 ILE 4 -11.731 -11.509 -11.509 93 2HD1 ILE 4 HD13 ILE 4 -12.704 -11.316 -11.316 94 3HD1 ILE 4 HD12 ILE 4 -12.677 -10.041 -10.041 95 H ALA 5 HN ALA 5 -10.209 -6.873 -6.873 96 HA ALA 5 HA ALA 5 -8.113 -7.167 -7.167 97 1HB ALA 5 HB3 ALA 5 -10.851 -5.845 -5.845 98 2HB ALA 5 HB2 ALA 5 -9.780 -5.891 -5.891 99 3HB ALA 5 HB1 ALA 5 -9.277 -5.046 -5.046 100 H LYS 6 HN LYS 6 -8.066 -9.233 -9.233 101 HA LYS 6 HA LYS 6 -10.286 -10.996 -10.996 102 1HB LYS 6 HB2 LYS 6 -7.763 -11.007 -11.007 103 2HB LYS 6 HB1 LYS 6 -8.853 -12.370 -12.370 104 1HG LYS 6 HG2 LYS 6 -8.150 -12.708 -12.708 105 2HG LYS 6 HG1 LYS 6 -7.757 -11.009 -11.009 106 1HD LYS 6 HD2 LYS 6 -5.687 -12.239 -12.239 107 2HD LYS 6 HD1 LYS 6 -5.816 -11.293 -11.293 108 1HE LYS 6 HE2 LYS 6 -5.174 -13.426 -13.426 109 2HE LYS 6 HE1 LYS 6 -6.923 -13.427 -13.427 110 1HZ LYS 6 HZ2 LYS 6 -7.023 -14.428 -14.428 111 2HZ LYS 6 HZ1 LYS 6 -5.353 -14.700 -14.700 112 3HZ LYS 6 HZ3 LYS 6 -6.426 -15.432 -15.432 113 H TYR 7 HN TYR 7 -9.129 -8.501 -8.501 114 HA TYR 7 HA TYR 7 -11.519 -8.981 -8.981 115 1HB TYR 7 HB2 TYR 7 -8.881 -8.559 -8.559 116 2HB TYR 7 HB1 TYR 7 -10.364 -9.223 -9.223 117 HD1 TYR 7 HD1 TYR 7 -11.158 -11.501 -11.501 118 HD2 TYR 7 HD2 TYR 7 -7.191 -9.954 -9.954 119 HE1 TYR 7 HE1 TYR 7 -10.325 -13.789 -13.789 120 HE2 TYR 7 HE2 TYR 7 -6.347 -12.223 -12.223 121 HH TYR 7 HH TYR 7 -7.886 -14.564 -14.564 122 H ASP 8 HN ASP 8 -11.199 -7.259 -7.259 123 HA ASP 8 HA ASP 8 -11.208 -4.694 -4.694 124 1HB ASP 8 HB2 ASP 8 -12.379 -3.863 -3.863 125 2HB ASP 8 HB1 ASP 8 -13.060 -5.436 -5.436 126 H PHE 9 HN PHE 9 -10.174 -2.804 -2.804 127 HA PHE 9 HA PHE 9 -8.204 -2.864 -2.864 128 1HB PHE 9 HB2 PHE 9 -7.315 -4.338 -4.338 129 2HB PHE 9 HB1 PHE 9 -6.507 -2.781 -2.781 130 HD1 PHE 9 HD1 PHE 9 -7.532 -4.689 -4.689 131 HD2 PHE 9 HD2 PHE 9 -4.292 -3.129 -3.129 132 HE1 PHE 9 HE1 PHE 9 -5.922 -5.359 -5.359 133 HE2 PHE 9 HE2 PHE 9 -2.684 -3.795 -3.795 134 HZ PHE 9 HZ PHE 9 -3.500 -4.909 -4.909 135 H LYS 10 HN LYS 10 -6.440 -1.029 -1.029 136 HA LYS 10 HA LYS 10 -7.712 1.092 1.092 137 1HB LYS 10 HB2 LYS 10 -7.510 2.738 2.738 138 2HB LYS 10 HB1 LYS 10 -8.493 1.390 1.390 139 1HG LYS 10 HG2 LYS 10 -6.888 0.646 0.646 140 2HG LYS 10 HG1 LYS 10 -5.555 1.248 1.248 141 1HD LYS 10 HD2 LYS 10 -5.767 2.589 2.589 142 2HD LYS 10 HD1 LYS 10 -6.144 3.570 3.570 143 1HE LYS 10 HE2 LYS 10 -8.491 2.186 2.186 144 2HE LYS 10 HE1 LYS 10 -7.750 3.322 3.322 145 1HZ LYS 10 HZ1 LYS 10 -7.715 4.831 4.831 146 2HZ LYS 10 HZ3 LYS 10 -9.003 3.830 3.830 147 3HZ LYS 10 HZ2 LYS 10 -9.103 4.721 4.721 148 H ALA 11 HN ALA 11 -6.176 3.122 3.122 149 HA ALA 11 HA ALA 11 -3.697 2.239 2.239 150 1HB ALA 11 HB3 ALA 11 -5.094 4.839 4.839 151 2HB ALA 11 HB2 ALA 11 -3.341 4.881 4.881 152 3HB ALA 11 HB1 ALA 11 -4.395 4.148 4.148 153 H THR 12 HN THR 12 -1.668 2.264 2.264 154 HA THR 12 HA THR 12 -1.729 3.186 3.186 155 HB THR 12 HB THR 12 0.222 1.462 1.462 156 HG1 THR 12 HG1 THR 12 -0.117 -0.268 -0.268 157 1HG2 THR 12 HG22 THR 12 -2.695 0.750 0.750 158 2HG2 THR 12 HG21 THR 12 -1.499 -0.388 -0.388 159 3HG2 THR 12 HG23 THR 12 -1.837 1.105 1.105 160 H ALA 13 HN ALA 13 -1.121 5.027 5.027 161 HA ALA 13 HA ALA 13 1.375 6.096 6.096 162 1HB ALA 13 HB3 ALA 13 1.464 4.601 4.601 163 2HB ALA 13 HB2 ALA 13 2.651 5.819 5.819 164 3HB ALA 13 HB1 ALA 13 2.486 4.332 4.332 165 H ASP 14 HN ASP 14 2.138 7.767 7.767 166 HA ASP 14 HA ASP 14 -0.183 9.415 9.415 167 1HB ASP 14 HB2 ASP 14 2.139 10.039 10.039 168 2HB ASP 14 HB1 ASP 14 2.638 10.021 10.021 169 H ASP 15 HN ASP 15 1.199 6.947 6.947 170 HA ASP 15 HA ASP 15 0.171 8.004 8.004 171 1HB ASP 15 HB2 ASP 15 2.952 7.134 7.134 172 2HB ASP 15 HB1 ASP 15 2.252 6.689 6.689 173 H GLU 16 HN GLU 16 -0.781 6.037 6.037 174 HA GLU 16 HA GLU 16 -0.555 3.511 3.511 175 1HB GLU 16 HB2 GLU 16 -0.199 3.812 3.812 176 2HB GLU 16 HB1 GLU 16 -1.947 3.699 3.699 177 1HG GLU 16 HG2 GLU 16 -1.809 1.474 1.474 178 2HG GLU 16 HG1 GLU 16 -1.030 1.659 1.659 179 H LEU 17 HN LEU 17 -2.758 2.222 2.222 180 HA LEU 17 HA LEU 17 -4.994 4.075 4.075 181 1HB LEU 17 HB2 LEU 17 -4.069 3.384 3.384 182 2HB LEU 17 HB1 LEU 17 -4.074 1.701 1.701 183 HG LEU 17 HG LEU 17 -6.695 2.170 2.170 184 1HD1 LEU 17 HD13 LEU 17 -5.782 4.149 4.149 185 2HD1 LEU 17 HD12 LEU 17 -7.459 3.682 3.682 186 3HD1 LEU 17 HD11 LEU 17 -6.556 4.543 4.543 187 1HD2 LEU 17 HD23 LEU 17 -5.019 1.378 1.378 188 2HD2 LEU 17 HD22 LEU 17 -6.240 0.450 0.450 189 3HD2 LEU 17 HD21 LEU 17 -6.735 1.671 1.671 190 H SER 18 HN SER 18 -6.876 3.559 3.559 191 HA SER 18 HA SER 18 -7.021 1.188 1.188 192 1HB SER 18 HB2 SER 18 -9.123 2.369 2.369 193 2HB SER 18 HB1 SER 18 -7.677 3.278 3.278 194 HG SER 18 HG SER 18 -9.290 4.525 4.525 195 H PHE 19 HN PHE 19 -9.169 0.004 0.004 196 HA PHE 19 HA PHE 19 -10.999 0.087 0.087 197 1HB PHE 19 HB2 PHE 19 -10.305 -1.949 -1.949 198 2HB PHE 19 HB1 PHE 19 -9.122 -0.650 -0.650 199 HD1 PHE 19 HD1 PHE 19 -9.912 -3.764 -3.764 200 HD2 PHE 19 HD2 PHE 19 -6.882 -0.955 -0.955 201 HE1 PHE 19 HE1 PHE 19 -8.156 -5.268 -5.268 202 HE2 PHE 19 HE2 PHE 19 -5.130 -2.452 -2.452 203 HZ PHE 19 HZ PHE 19 -5.767 -4.609 -4.609 204 H LYS 20 HN LYS 20 -12.389 -1.983 -1.983 205 HA LYS 20 HA LYS 20 -12.360 -3.136 -3.136 206 1HB LYS 20 HB2 LYS 20 -14.724 -2.766 -2.766 207 2HB LYS 20 HB1 LYS 20 -14.776 -3.285 -3.285 208 1HG LYS 20 HG2 LYS 20 -13.320 -0.776 -0.776 209 2HG LYS 20 HG1 LYS 20 -14.970 -0.661 -0.661 210 1HD LYS 20 HD2 LYS 20 -14.517 -1.986 -1.986 211 2HD LYS 20 HD1 LYS 20 -14.427 -0.226 -0.226 212 1HE LYS 20 HE2 LYS 20 -16.706 -0.716 -0.716 213 2HE LYS 20 HE1 LYS 20 -16.671 -0.314 -0.314 214 1HZ LYS 20 HZ2 LYS 20 -16.473 -3.089 -3.089 215 2HZ LYS 20 HZ1 LYS 20 -17.946 -2.362 -2.362 216 3HZ LYS 20 HZ3 LYS 20 -16.735 -2.590 -2.590 217 H ARG 21 HN ARG 21 -13.836 -5.223 -5.223 218 HA ARG 21 HA ARG 21 -12.445 -7.179 -7.179 219 1HB ARG 21 HB2 ARG 21 -13.433 -7.560 -7.560 220 2HB ARG 21 HB1 ARG 21 -15.035 -7.457 -7.457 221 1HG ARG 21 HG2 ARG 21 -14.788 -9.460 -9.460 222 2HG ARG 21 HG1 ARG 21 -13.024 -9.350 -9.350 223 1HD ARG 21 HD2 ARG 21 -12.805 -10.207 -10.207 224 2HD ARG 21 HD1 ARG 21 -14.313 -9.484 -9.484 225 HE ARG 21 HE ARG 21 -14.153 -11.994 -11.994 226 1HH1 ARG 21 HH21 ARG 21 -16.492 -9.808 -9.808 227 2HH1 ARG 21 HH22 ARG 21 -17.497 -10.849 -10.849 228 1HH2 ARG 21 HH11 ARG 21 -15.120 -13.363 -13.363 229 2HH2 ARG 21 HH12 ARG 21 -16.720 -12.863 -12.863 230 H GLY 22 HN GLY 22 -12.814 -7.214 -7.214 231 1HA GLY 22 HA2 GLY 22 -14.353 -8.051 -8.051 232 2HA GLY 22 HA1 GLY 22 -15.663 -7.219 -7.219 233 H ASP 23 HN ASP 23 -12.986 -5.203 -5.203 234 HA ASP 23 HA ASP 23 -13.982 -3.652 -3.652 235 1HB ASP 23 HB2 ASP 23 -13.192 -2.993 -2.993 236 2HB ASP 23 HB1 ASP 23 -11.955 -2.334 -2.334 237 H ILE 24 HN ILE 24 -12.928 -4.355 -4.355 238 HA ILE 24 HA ILE 24 -10.147 -5.220 -5.220 239 HB ILE 24 HB ILE 24 -11.671 -4.618 -4.618 240 1HG1 ILE 24 HG12 ILE 24 -11.917 -6.997 -6.997 241 2HG1 ILE 24 HG11 ILE 24 -13.216 -5.972 -5.972 242 1HG2 ILE 24 HG21 ILE 24 -9.117 -5.385 -5.385 243 2HG2 ILE 24 HG23 ILE 24 -9.880 -6.970 -6.970 244 3HG2 ILE 24 HG22 ILE 24 -10.044 -5.921 -5.921 245 1HD1 ILE 24 HD11 ILE 24 -12.111 -6.931 -6.931 246 2HD1 ILE 24 HD13 ILE 24 -11.938 -8.305 -8.305 247 3HD1 ILE 24 HD12 ILE 24 -13.531 -7.608 -7.608 248 H LEU 25 HN LEU 25 -8.356 -4.107 -4.107 249 HA LEU 25 HA LEU 25 -8.741 -1.161 -1.161 250 1HB LEU 25 HB2 LEU 25 -6.074 -2.512 -2.512 251 2HB LEU 25 HB1 LEU 25 -6.545 -0.867 -0.867 252 HG LEU 25 HG LEU 25 -6.505 -1.955 -1.955 253 1HD1 LEU 25 HD11 LEU 25 -8.830 -0.918 -0.918 254 2HD1 LEU 25 HD13 LEU 25 -9.375 -2.564 -2.564 255 3HD1 LEU 25 HD12 LEU 25 -8.642 -1.675 -1.675 256 1HD2 LEU 25 HD21 LEU 25 -6.664 -4.285 -4.285 257 2HD2 LEU 25 HD23 LEU 25 -6.751 -4.186 -4.186 258 3HD2 LEU 25 HD22 LEU 25 -8.234 -4.266 -4.266 259 H LYS 26 HN LYS 26 -7.230 0.009 0.009 260 HA LYS 26 HA LYS 26 -6.932 -1.566 -1.566 261 1HB LYS 26 HB2 LYS 26 -8.178 0.789 0.789 262 2HB LYS 26 HB1 LYS 26 -6.541 1.395 1.395 263 1HG LYS 26 HG2 LYS 26 -6.359 0.304 0.304 264 2HG LYS 26 HG1 LYS 26 -7.854 -0.594 -0.594 265 1HD LYS 26 HD2 LYS 26 -7.825 2.423 2.423 266 2HD LYS 26 HD1 LYS 26 -7.978 1.510 1.510 267 1HE LYS 26 HE2 LYS 26 -9.766 0.938 0.938 268 2HE LYS 26 HE1 LYS 26 -10.161 2.207 2.207 269 1HZ LYS 26 HZ3 LYS 26 -9.790 0.415 0.415 270 2HZ LYS 26 HZ2 LYS 26 -9.895 -0.698 -0.698 271 3HZ LYS 26 HZ1 LYS 26 -11.209 0.318 0.318 272 H VAL 27 HN VAL 27 -4.916 -2.565 -2.565 273 HA VAL 27 HA VAL 27 -2.683 -1.235 -1.235 274 HB VAL 27 HB VAL 27 -2.584 -3.571 -3.571 275 1HG1 VAL 27 HG13 VAL 27 -0.518 -2.141 -2.141 276 2HG1 VAL 27 HG12 VAL 27 -0.767 -3.322 -3.322 277 3HG1 VAL 27 HG11 VAL 27 -0.421 -3.865 -3.865 278 1HG2 VAL 27 HG22 VAL 27 -3.927 -3.373 -3.373 279 2HG2 VAL 27 HG21 VAL 27 -3.614 -4.834 -4.834 280 3HG2 VAL 27 HG23 VAL 27 -2.455 -4.304 -4.304 281 H LEU 28 HN LEU 28 -2.134 0.682 0.682 282 HA LEU 28 HA LEU 28 -1.761 0.942 0.942 283 1HB LEU 28 HB2 LEU 28 -0.583 3.089 3.089 284 2HB LEU 28 HB1 LEU 28 -1.696 3.215 3.215 285 HG LEU 28 HG LEU 28 -3.351 2.187 2.187 286 1HD1 LEU 28 HD11 LEU 28 -1.509 2.338 2.338 287 2HD1 LEU 28 HD13 LEU 28 -1.457 4.079 4.079 288 3HD1 LEU 28 HD12 LEU 28 -2.898 3.330 3.330 289 1HD2 LEU 28 HD23 LEU 28 -2.688 4.908 4.908 290 2HD2 LEU 28 HD22 LEU 28 -4.219 4.033 4.033 291 3HD2 LEU 28 HD21 LEU 28 -3.712 4.826 4.826 292 H ASN 29 HN ASN 29 0.031 -0.258 -0.258 293 HA ASN 29 HA ASN 29 2.423 -0.478 -0.478 294 1HB ASN 29 HB2 ASN 29 2.284 1.840 1.840 295 2HB ASN 29 HB1 ASN 29 3.099 0.777 0.777 296 1HD2 ASN 29 HD22 ASN 29 5.672 2.340 2.340 297 2HD2 ASN 29 HD21 ASN 29 4.472 2.973 2.973 298 H GLU 30 HN GLU 30 3.581 -2.267 -2.267 299 HA GLU 30 HA GLU 30 3.158 -3.423 -3.423 300 1HB GLU 30 HB2 GLU 30 2.988 -5.699 -5.699 301 2HB GLU 30 HB1 GLU 30 1.614 -4.652 -4.652 302 1HG GLU 30 HG2 GLU 30 2.243 -4.367 -4.367 303 2HG GLU 30 HG1 GLU 30 3.953 -4.576 -4.576 304 H GLU 31 HN GLU 31 5.320 -2.027 -2.027 305 HA GLU 31 HA GLU 31 7.505 -3.627 -3.627 306 1HB GLU 31 HB2 GLU 31 7.661 -1.126 -1.126 307 2HB GLU 31 HB1 GLU 31 8.928 -1.782 -1.782 308 1HG GLU 31 HG2 GLU 31 7.441 -1.449 -1.449 309 2HG GLU 31 HG1 GLU 31 6.251 -0.693 -0.693 310 H CYS 32 HN CYS 32 9.547 -3.620 -3.620 311 HA CYS 32 HA CYS 32 9.036 -5.633 -5.633 312 1HB CYS 32 HB2 CYS 32 11.299 -3.633 -3.633 313 2HB CYS 32 HB1 CYS 32 11.246 -4.979 -4.979 314 HG CYS 32 HG CYS 32 11.287 -6.638 -6.638 315 H ASP 33 HN ASP 33 8.920 -5.517 -5.517 316 HA ASP 33 HA ASP 33 8.845 -3.207 -3.207 317 1HB ASP 33 HB2 ASP 33 6.721 -3.139 -3.139 318 2HB ASP 33 HB1 ASP 33 6.113 -4.278 -4.278 319 H GLN 34 HN GLN 34 7.408 -3.783 -3.783 320 HA GLN 34 HA GLN 34 8.474 -6.377 -6.377 321 1HB GLN 34 HB2 GLN 34 7.353 -4.008 -4.008 322 2HB GLN 34 HB1 GLN 34 7.400 -5.568 -5.568 323 1HG GLN 34 HG2 GLN 34 9.836 -5.728 -5.728 324 2HG GLN 34 HG1 GLN 34 9.756 -4.104 -4.104 325 1HE2 GLN 34 HE22 GLN 34 9.990 -4.564 -4.564 326 2HE2 GLN 34 HE21 GLN 34 10.053 -5.891 -5.891 327 H ASN 35 HN ASN 35 6.472 -6.777 -6.777 328 HA ASN 35 HA ASN 35 4.624 -8.122 -8.122 329 1HB ASN 35 HB2 ASN 35 4.999 -8.430 -8.430 330 2HB ASN 35 HB1 ASN 35 3.446 -8.874 -8.874 331 1HD2 ASN 35 HD22 ASN 35 6.355 -11.510 -11.510 332 2HD2 ASN 35 HD21 ASN 35 6.227 -10.315 -10.315 333 H TRP 36 HN TRP 36 4.405 -5.206 -5.206 334 HA TRP 36 HA TRP 36 1.439 -5.108 -5.108 335 1HB TRP 36 HB2 TRP 36 3.283 -2.737 -2.737 336 2HB TRP 36 HB1 TRP 36 1.529 -2.754 -2.754 337 HD1 TRP 36 HD1 TRP 36 4.266 -5.149 -5.149 338 HE1 TRP 36 HE1 TRP 36 4.017 -5.394 -5.394 339 HE3 TRP 36 HE3 TRP 36 0.318 -1.983 -1.983 340 HZ2 TRP 36 HZ2 TRP 36 2.449 -4.382 -4.382 341 HZ3 TRP 36 HZ3 TRP 36 -0.480 -1.633 -1.633 342 HH2 TRP 36 HH2 TRP 36 0.562 -2.835 -2.835 343 H TYR 37 HN TYR 37 0.330 -4.343 -4.343 344 HA TYR 37 HA TYR 37 1.788 -3.764 -3.764 345 1HB TYR 37 HB2 TYR 37 -1.150 -3.904 -3.904 346 2HB TYR 37 HB1 TYR 37 -0.607 -3.392 -3.392 347 HD1 TYR 37 HD2 TYR 37 1.636 -5.163 -5.163 348 HD2 TYR 37 HD1 TYR 37 -2.077 -6.016 -6.016 349 HE1 TYR 37 HE2 TYR 37 1.792 -7.535 -7.535 350 HE2 TYR 37 HE1 TYR 37 -1.929 -8.379 -8.379 351 HH TYR 37 HH TYR 37 0.392 -9.445 -9.445 352 H LYS 38 HN LYS 38 0.557 -1.862 -1.862 353 HA LYS 38 HA LYS 38 0.278 0.560 0.560 354 1HB LYS 38 HB2 LYS 38 2.545 0.433 0.433 355 2HB LYS 38 HB1 LYS 38 1.689 0.469 0.469 356 1HG LYS 38 HG2 LYS 38 0.864 2.542 2.542 357 2HG LYS 38 HG1 LYS 38 2.524 2.682 2.682 358 1HD LYS 38 HD2 LYS 38 1.053 2.075 2.075 359 2HD LYS 38 HD1 LYS 38 0.039 3.211 3.211 360 1HE LYS 38 HE2 LYS 38 1.931 4.769 4.769 361 2HE LYS 38 HE1 LYS 38 2.949 3.634 3.634 362 1HZ LYS 38 HZ3 LYS 38 0.413 4.474 4.474 363 2HZ LYS 38 HZ2 LYS 38 1.710 5.573 5.573 364 3HZ LYS 38 HZ1 LYS 38 1.878 4.048 4.048 365 H ALA 39 HN ALA 39 -2.026 0.353 0.353 366 HA ALA 39 HA ALA 39 -3.008 0.575 0.575 367 1HB ALA 39 HB2 ALA 39 -3.456 -1.584 -1.584 368 2HB ALA 39 HB1 ALA 39 -4.310 -0.766 -0.766 369 3HB ALA 39 HB3 ALA 39 -4.948 -0.707 -0.707 370 H GLU 40 HN GLU 40 -5.530 1.079 1.079 371 HA GLU 40 HA GLU 40 -5.838 3.440 3.440 372 1HB GLU 40 HB2 GLU 40 -5.417 4.889 4.889 373 2HB GLU 40 HB1 GLU 40 -4.814 3.531 3.531 374 1HG GLU 40 HG2 GLU 40 -7.045 3.248 3.248 375 2HG GLU 40 HG1 GLU 40 -7.701 4.528 4.528 376 H LEU 41 HN LEU 41 -7.769 3.762 3.762 377 HA LEU 41 HA LEU 41 -9.967 2.102 2.102 378 1HB LEU 41 HB2 LEU 41 -9.398 3.236 3.236 379 2HB LEU 41 HB1 LEU 41 -11.097 3.071 3.071 380 HG LEU 41 HG LEU 41 -9.190 0.838 0.838 381 1HD1 LEU 41 HD11 LEU 41 -10.107 1.843 1.843 382 2HD1 LEU 41 HD13 LEU 41 -10.457 0.134 0.134 383 3HD1 LEU 41 HD12 LEU 41 -8.798 0.723 0.723 384 1HD2 LEU 41 HD21 LEU 41 -11.572 1.037 1.037 385 2HD2 LEU 41 HD23 LEU 41 -11.180 -0.460 -0.460 386 3HD2 LEU 41 HD22 LEU 41 -12.110 0.799 0.799 387 H ASN 42 HN ASN 42 -10.664 3.088 3.088 388 HA ASN 42 HA ASN 42 -11.709 4.721 4.721 389 1HB ASN 42 HB2 ASN 42 -13.128 4.392 4.392 390 2HB ASN 42 HB1 ASN 42 -13.660 5.707 5.707 391 1HD2 ASN 42 HD22 ASN 42 -15.240 2.286 2.286 392 2HD2 ASN 42 HD21 ASN 42 -14.933 2.973 2.973 393 H GLY 43 HN GLY 43 -9.465 5.927 5.927 394 1HA GLY 43 HA2 GLY 43 -9.336 8.512 8.512 395 2HA GLY 43 HA1 GLY 43 -10.489 8.636 8.636 396 H LYS 44 HN LYS 44 -9.310 6.673 6.673 397 HA LYS 44 HA LYS 44 -7.070 8.192 8.192 398 1HB LYS 44 HB2 LYS 44 -8.825 6.014 6.014 399 2HB LYS 44 HB1 LYS 44 -7.198 6.199 6.199 400 1HG LYS 44 HG2 LYS 44 -8.682 7.543 7.543 401 2HG LYS 44 HG1 LYS 44 -7.665 8.613 8.613 402 1HD LYS 44 HD2 LYS 44 -10.006 9.374 9.374 403 2HD LYS 44 HD1 LYS 44 -9.493 8.817 8.817 404 1HE LYS 44 HE2 LYS 44 -10.799 6.904 6.904 405 2HE LYS 44 HE1 LYS 44 -10.760 6.837 6.837 406 1HZ LYS 44 HZ2 LYS 44 -12.155 8.995 8.995 407 2HZ LYS 44 HZ1 LYS 44 -12.926 7.542 7.542 408 3HZ LYS 44 HZ3 LYS 44 -12.319 8.564 8.564 409 H ASP 45 HN ASP 45 -5.221 6.850 6.850 410 HA ASP 45 HA ASP 45 -4.685 4.470 4.470 411 1HB ASP 45 HB2 ASP 45 -3.469 5.206 5.206 412 2HB ASP 45 HB1 ASP 45 -4.530 6.586 6.586 413 H GLY 46 HN GLY 46 -2.147 4.058 4.058 414 1HA GLY 46 HA2 GLY 46 -0.144 4.781 4.781 415 2HA GLY 46 HA1 GLY 46 -1.252 4.715 4.715 416 H PHE 47 HN PHE 47 0.428 3.164 3.164 417 HA PHE 47 HA PHE 47 0.604 0.592 0.592 418 1HB PHE 47 HB2 PHE 47 1.686 1.684 1.684 419 2HB PHE 47 HB1 PHE 47 1.852 -0.023 -0.023 420 HD1 PHE 47 HD1 PHE 47 3.056 -0.691 -0.691 421 HD2 PHE 47 HD2 PHE 47 3.008 3.361 3.361 422 HE1 PHE 47 HE1 PHE 47 4.984 -0.154 -0.154 423 HE2 PHE 47 HE2 PHE 47 4.936 3.898 3.898 424 HZ PHE 47 HZ PHE 47 5.924 2.141 2.141 425 H ILE 48 HN ILE 48 0.158 -1.485 -1.485 426 HA ILE 48 HA ILE 48 -1.954 -1.279 -1.279 427 HB ILE 48 HB ILE 48 -3.502 -2.770 -2.770 428 1HG1 ILE 48 HG12 ILE 48 -1.727 -1.814 -1.814 429 2HG1 ILE 48 HG11 ILE 48 -1.772 -3.464 -3.464 430 1HG2 ILE 48 HG23 ILE 48 -3.660 -0.206 -0.206 431 2HG2 ILE 48 HG22 ILE 48 -3.072 -0.115 -0.115 432 3HG2 ILE 48 HG21 ILE 48 -4.590 -0.937 -0.937 433 1HD1 ILE 48 HD11 ILE 48 -4.463 -2.783 -2.783 434 2HD1 ILE 48 HD13 ILE 48 -3.557 -2.178 -2.178 435 3HD1 ILE 48 HD12 ILE 48 -3.454 -3.880 -3.880 436 HA PRO 49 HA PRO 49 0.334 -4.967 -4.967 437 1HB PRO 49 HB2 PRO 49 -1.315 -6.013 -6.013 438 2HB PRO 49 HB1 PRO 49 -0.110 -4.737 -4.737 439 1HG PRO 49 HG2 PRO 49 -3.098 -4.498 -4.498 440 2HG PRO 49 HG1 PRO 49 -1.976 -3.484 -3.484 441 1HD PRO 49 HD2 PRO 49 -3.042 -2.767 -2.767 442 2HD PRO 49 HD1 PRO 49 -1.604 -2.066 -2.066 443 H LYS 50 HN LYS 50 0.328 -6.411 -6.411 444 HA LYS 50 HA LYS 50 -1.778 -7.463 -7.463 445 1HB LYS 50 HB2 LYS 50 0.752 -7.543 -7.543 446 2HB LYS 50 HB1 LYS 50 0.720 -8.982 -8.982 447 1HG LYS 50 HG2 LYS 50 -0.689 -10.134 -10.134 448 2HG LYS 50 HG1 LYS 50 -0.986 -8.651 -8.651 449 1HD LYS 50 HD2 LYS 50 1.063 -8.736 -8.736 450 2HD LYS 50 HD1 LYS 50 1.884 -9.388 -9.388 451 1HE LYS 50 HE2 LYS 50 0.236 -11.476 -11.476 452 2HE LYS 50 HE1 LYS 50 0.587 -10.809 -10.809 453 1HZ LYS 50 HZ3 LYS 50 2.946 -10.910 -10.910 454 2HZ LYS 50 HZ2 LYS 50 2.598 -11.577 -11.577 455 3HZ LYS 50 HZ1 LYS 50 2.234 -12.445 -12.445 456 H ASN 51 HN ASN 51 -0.955 -8.358 -8.358 457 HA ASN 51 HA ASN 51 -1.803 -10.994 -10.994 458 1HB ASN 51 HB2 ASN 51 -1.327 -8.934 -8.934 459 2HB ASN 51 HB1 ASN 51 -2.268 -10.293 -10.293 460 1HD2 ASN 51 HD22 ASN 51 0.884 -11.782 -11.782 461 2HD2 ASN 51 HD21 ASN 51 -0.506 -11.080 -11.080 462 H TYR 52 HN TYR 52 -3.488 -8.001 -8.001 463 HA TYR 52 HA TYR 52 -6.088 -9.340 -9.340 464 1HB TYR 52 HB2 TYR 52 -5.181 -6.463 -6.463 465 2HB TYR 52 HB1 TYR 52 -6.878 -6.897 -6.897 466 HD1 TYR 52 HD1 TYR 52 -3.740 -7.956 -7.956 467 HD2 TYR 52 HD2 TYR 52 -7.844 -6.828 -6.828 468 HE1 TYR 52 HE1 TYR 52 -3.649 -8.129 -8.129 469 HE2 TYR 52 HE2 TYR 52 -7.755 -6.998 -6.998 470 HH TYR 52 HH TYR 52 -6.500 -8.021 -8.021 471 H ILE 53 HN ILE 53 -4.439 -9.467 -9.467 472 HA ILE 53 HA ILE 53 -6.547 -8.742 -8.742 473 HB ILE 53 HB ILE 53 -4.092 -7.718 -7.718 474 1HG1 ILE 53 HG12 ILE 53 -5.267 -6.204 -6.204 475 2HG1 ILE 53 HG11 ILE 53 -3.736 -7.071 -7.071 476 1HG2 ILE 53 HG23 ILE 53 -6.521 -7.424 -7.424 477 2HG2 ILE 53 HG22 ILE 53 -6.621 -6.187 -6.187 478 3HG2 ILE 53 HG21 ILE 53 -5.459 -6.028 -6.028 479 1HD1 ILE 53 HD13 ILE 53 -3.419 -5.591 -5.591 480 2HD1 ILE 53 HD12 ILE 53 -4.420 -4.514 -4.514 481 3HD1 ILE 53 HD11 ILE 53 -2.871 -5.079 -5.079 482 H GLU 54 HN GLU 54 -5.865 -9.207 -9.207 483 HA GLU 54 HA GLU 54 -3.826 -11.160 -11.160 484 1HB GLU 54 HB2 GLU 54 -6.683 -11.820 -11.820 485 2HB GLU 54 HB1 GLU 54 -5.763 -12.455 -12.455 486 1HG GLU 54 HG2 GLU 54 -4.571 -12.748 -12.748 487 2HG GLU 54 HG1 GLU 54 -5.935 -13.792 -13.792 488 H MET 55 HN MET 55 -3.310 -11.280 -11.280 489 HA MET 55 HA MET 55 -4.230 -8.872 -8.872 490 1HB MET 55 HB2 MET 55 -2.390 -9.617 -9.617 491 2HB MET 55 HB1 MET 55 -1.898 -8.968 -8.968 492 1HG MET 55 HG2 MET 55 -1.321 -11.063 -11.063 493 2HG MET 55 HG1 MET 55 -2.323 -11.918 -11.918 494 1HE MET 55 HE1 MET 55 -0.760 -13.431 -13.431 495 2HE MET 55 HE3 MET 55 -0.280 -13.488 -13.488 496 3HE MET 55 HE2 MET 55 0.940 -13.304 -13.304 497 H LYS 56 HN LYS 56 -5.994 -9.076 -9.076 498 HA LYS 56 HA LYS 56 -6.357 -11.463 -11.463 499 1HB LYS 56 HB2 LYS 56 -8.156 -9.707 -9.707 500 2HB LYS 56 HB1 LYS 56 -8.740 -10.413 -10.413 501 1HG LYS 56 HG2 LYS 56 -8.209 -12.642 -12.642 502 2HG LYS 56 HG1 LYS 56 -7.422 -11.972 -11.972 503 1HD LYS 56 HD2 LYS 56 -9.721 -12.835 -12.835 504 2HD LYS 56 HD1 LYS 56 -9.560 -11.112 -11.112 505 1HE LYS 56 HE2 LYS 56 -10.585 -10.576 -10.576 506 2HE LYS 56 HE1 LYS 56 -10.714 -12.294 -12.294 507 1HZ LYS 56 HZ1 LYS 56 -12.031 -12.464 -12.464 508 2HZ LYS 56 HZ3 LYS 56 -12.144 -10.773 -10.773 509 3HZ LYS 56 HZ2 LYS 56 -12.799 -11.703 -11.703 510 HA PRO 57 HA PRO 57 -6.296 -9.019 -9.019 511 1HB PRO 57 HB2 PRO 57 -8.077 -10.273 -10.273 512 2HB PRO 57 HB1 PRO 57 -6.445 -10.874 -10.874 513 1HG PRO 57 HG2 PRO 57 -9.038 -11.822 -11.822 514 2HG PRO 57 HG1 PRO 57 -7.530 -12.696 -12.696 515 1HD PRO 57 HD2 PRO 57 -8.531 -11.689 -11.689 516 2HD PRO 57 HD1 PRO 57 -6.876 -12.266 -12.266 517 H HIS 58 HN HIS 58 -8.267 -8.302 -8.302 518 HA HIS 58 HA HIS 58 -10.457 -7.118 -7.118 519 1HB HIS 58 HB2 HIS 58 -10.185 -4.989 -4.989 520 2HB HIS 58 HB1 HIS 58 -8.886 -5.302 -5.302 521 HD1 HIS 58 HD1 HIS 58 -9.464 -4.580 -4.580 522 HD2 HIS 58 HD2 HIS 58 -6.557 -6.643 -6.643 523 HE1 HIS 58 HE1 HIS 58 -7.458 -4.811 -4.811 524 HA PRO 59 HA PRO 59 -12.757 -8.625 -8.625 525 1HB PRO 59 HB2 PRO 59 -15.182 -7.446 -7.446 526 2HB PRO 59 HB1 PRO 59 -14.575 -8.878 -8.878 527 1HG PRO 59 HG2 PRO 59 -14.752 -6.059 -6.059 528 2HG PRO 59 HG1 PRO 59 -14.739 -7.566 -7.566 529 1HD PRO 59 HD2 PRO 59 -12.537 -5.807 -5.807 530 2HD PRO 59 HD1 PRO 59 -12.471 -7.448 -7.448 531 H GLU 60 HN GLU 60 -14.296 -5.449 -5.449 532 HA GLU 60 HA GLU 60 -12.915 -4.191 -4.191 533 1HB GLU 60 HB2 GLU 60 -15.512 -5.554 -5.554 534 2HB GLU 60 HB1 GLU 60 -15.477 -3.890 -3.890 535 1HG GLU 60 HG2 GLU 60 -13.335 -4.459 -4.459 536 2HG GLU 60 HG1 GLU 60 -13.624 -6.147 -6.147 537 H PHE 61 HN PHE 61 -16.262 -3.803 -3.803 538 HA PHE 61 HA PHE 61 -15.404 -1.286 -1.286 539 1HB PHE 61 HB2 PHE 61 -17.560 -1.640 -1.640 540 2HB PHE 61 HB1 PHE 61 -17.689 -0.362 -0.362 541 HD1 PHE 61 HD2 PHE 61 -15.842 1.343 1.343 542 HD2 PHE 61 HD1 PHE 61 -16.042 -1.464 -1.464 543 HE1 PHE 61 HE2 PHE 61 -14.268 2.743 2.743 544 HE2 PHE 61 HE1 PHE 61 -14.467 -0.065 -0.065 545 HZ PHE 61 HZ PHE 61 -13.580 2.040 2.040 546 H ILE 62 HN ILE 62 -18.740 -2.466 -2.466 547 HA ILE 62 HA ILE 62 -18.813 -3.695 -3.695 548 HB ILE 62 HB ILE 62 -20.701 -2.119 -2.119 549 1HG1 ILE 62 HG12 ILE 62 -19.421 -0.348 -0.348 550 2HG1 ILE 62 HG11 ILE 62 -21.037 -1.042 -1.042 551 1HG2 ILE 62 HG23 ILE 62 -18.204 -2.162 -2.162 552 2HG2 ILE 62 HG22 ILE 62 -18.056 -0.694 -0.694 553 3HG2 ILE 62 HG21 ILE 62 -19.171 -0.743 -0.743 554 1HD1 ILE 62 HD13 ILE 62 -20.117 0.798 0.798 555 2HD1 ILE 62 HD12 ILE 62 -21.042 1.325 1.325 556 3HD1 ILE 62 HD11 ILE 62 -21.754 0.192 0.192 557 H VAL 63 HN VAL 63 -20.703 -2.465 -2.465 558 HA VAL 63 HA VAL 63 -22.548 -3.394 -3.394 559 HB VAL 63 HB VAL 63 -21.635 -5.966 -5.966 560 1HG1 VAL 63 HG12 VAL 63 -23.448 -5.273 -5.273 561 2HG1 VAL 63 HG11 VAL 63 -22.606 -6.823 -6.823 562 3HG1 VAL 63 HG13 VAL 63 -23.728 -6.399 -6.399 563 1HG2 VAL 63 HG23 VAL 63 -19.846 -4.700 -4.700 564 2HG2 VAL 63 HG22 VAL 63 -20.213 -6.303 -6.303 565 3HG2 VAL 63 HG21 VAL 63 -20.856 -4.866 -4.866 566 H THR 64 HN THR 64 -23.896 -2.124 -2.124 567 HA THR 64 HA THR 64 -25.002 -3.471 -3.471 568 HB THR 64 HB THR 64 -26.644 -1.429 -1.429 569 HG1 THR 64 HG1 THR 64 -25.970 0.142 0.142 570 1HG2 THR 64 HG21 THR 64 -23.673 -1.100 -1.100 571 2HG2 THR 64 HG23 THR 64 -24.921 0.022 0.022 572 3HG2 THR 64 HG22 THR 64 -24.871 -1.619 -1.619 573 H ASP 65 HN ASP 65 -26.695 -2.094 -2.094 574 HA ASP 65 HA ASP 65 -28.110 -4.612 -4.612 575 1HB ASP 65 HB2 ASP 65 -29.412 -2.289 -2.289 576 2HB ASP 65 HB1 ASP 65 -30.364 -3.280 -3.280 577 1H SER 1 HT2 SER 1 -4.884 -19.492 -19.492 578 2H SER 1 HT1 SER 1 -3.395 -19.959 -19.959 579 3H SER 1 HT3 SER 1 -4.708 -19.604 -19.604 580 HA SER 1 HA SER 1 -4.531 -17.356 -17.356 581 1HB SER 1 HB2 SER 1 -1.662 -17.969 -17.969 582 2HB SER 1 HB1 SER 1 -2.326 -16.836 -16.836 583 HG SER 1 HG SER 1 -1.678 -18.523 -18.523 584 HA PRO 2 HA PRO 2 -4.310 -17.032 -17.032 585 1HB PRO 2 HB2 PRO 2 -6.682 -15.676 -15.676 586 2HB PRO 2 HB1 PRO 2 -6.557 -17.445 -17.445 587 1HG PRO 2 HG2 PRO 2 -7.585 -15.630 -15.630 588 2HG PRO 2 HG1 PRO 2 -7.995 -17.323 -17.323 589 1HD PRO 2 HD2 PRO 2 -6.240 -16.410 -16.410 590 2HD PRO 2 HD1 PRO 2 -6.401 -18.088 -18.088 591 H LEU 3 HN LEU 3 -5.890 -14.443 -14.443 592 HA LEU 3 HA LEU 3 -5.418 -12.146 -12.146 593 1HB LEU 3 HB2 LEU 3 -3.060 -13.457 -13.457 594 2HB LEU 3 HB1 LEU 3 -2.605 -12.440 -12.440 595 HG LEU 3 HG LEU 3 -4.058 -11.360 -11.360 596 1HD1 LEU 3 HD11 LEU 3 -1.100 -11.669 -11.669 597 2HD1 LEU 3 HD13 LEU 3 -1.723 -10.446 -10.446 598 3HD1 LEU 3 HD12 LEU 3 -2.001 -12.156 -12.156 599 1HD2 LEU 3 HD22 LEU 3 -3.986 -10.151 -10.151 600 2HD2 LEU 3 HD21 LEU 3 -3.501 -9.228 -9.228 601 3HD2 LEU 3 HD23 LEU 3 -2.275 -9.896 -9.896 602 H LEU 4 HN LEU 4 -6.622 -11.402 -11.402 603 HA LEU 4 HA LEU 4 -5.566 -11.589 -11.589 604 1HB LEU 4 HB2 LEU 4 -8.082 -10.989 -10.989 605 2HB LEU 4 HB1 LEU 4 -7.617 -9.561 -9.561 606 HG LEU 4 HG LEU 4 -7.672 -12.401 -12.401 607 1HD1 LEU 4 HD11 LEU 4 -9.658 -10.202 -10.202 608 2HD1 LEU 4 HD13 LEU 4 -9.462 -10.960 -10.960 609 3HD1 LEU 4 HD12 LEU 4 -9.909 -11.939 -11.939 610 1HD2 LEU 4 HD21 LEU 4 -6.690 -9.784 -9.784 611 2HD2 LEU 4 HD23 LEU 4 -6.113 -11.415 -11.415 612 3HD2 LEU 4 HD22 LEU 4 -7.568 -10.813 -10.813 613 HA PRO 5 HA PRO 5 -4.718 -6.910 -6.910 614 1HB PRO 5 HB2 PRO 5 -5.061 -5.780 -5.780 615 2HB PRO 5 HB1 PRO 5 -6.327 -5.836 -5.836 616 1HG PRO 5 HG2 PRO 5 -6.054 -7.479 -7.479 617 2HG PRO 5 HG1 PRO 5 -7.519 -7.011 -7.011 618 1HD PRO 5 HD2 PRO 5 -6.271 -9.533 -9.533 619 2HD PRO 5 HD1 PRO 5 -7.485 -8.920 -8.920 620 H LYS 6 HN LYS 6 -3.206 -5.496 -5.496 621 HA LYS 6 HA LYS 6 -1.137 -5.434 -5.434 622 1HB LYS 6 HB2 LYS 6 -2.328 -7.707 -7.707 623 2HB LYS 6 HB1 LYS 6 -0.820 -8.341 -8.341 624 1HG LYS 6 HG2 LYS 6 -0.888 -5.866 -5.866 625 2HG LYS 6 HG1 LYS 6 -0.749 -7.483 -7.483 626 1HD LYS 6 HD2 LYS 6 1.259 -7.889 -7.889 627 2HD LYS 6 HD1 LYS 6 1.139 -6.240 -6.240 628 1HE LYS 6 HE2 LYS 6 2.696 -6.055 -6.055 629 2HE LYS 6 HE1 LYS 6 1.180 -5.522 -5.522 630 1HZ LYS 6 HZ3 LYS 6 2.159 -8.317 -8.317 631 2HZ LYS 6 HZ2 LYS 6 2.473 -7.158 -7.158 632 3HZ LYS 6 HZ1 LYS 6 0.875 -7.629 -7.629 633 H LEU 7 HN LEU 7 -0.105 -4.865 -4.865 634 HA LEU 7 HA LEU 7 1.408 -7.114 -7.114 635 1HB LEU 7 HB2 LEU 7 -0.368 -5.166 -5.166 636 2HB LEU 7 HB1 LEU 7 1.259 -4.998 -4.998 637 HG LEU 7 HG LEU 7 1.314 -7.369 -7.369 638 1HD1 LEU 7 HD11 LEU 7 -1.415 -7.466 -7.466 639 2HD1 LEU 7 HD13 LEU 7 -0.776 -8.753 -8.753 640 3HD1 LEU 7 HD12 LEU 7 0.037 -8.345 -8.345 641 1HD2 LEU 7 HD21 LEU 7 -0.852 -5.572 -5.572 642 2HD2 LEU 7 HD23 LEU 7 0.393 -6.412 -6.412 643 3HD2 LEU 7 HD22 LEU 7 -1.063 -7.274 -7.274 644 HA PRO 8 HA PRO 8 4.352 -4.032 -4.032 645 1HB PRO 8 HB2 PRO 8 5.884 -5.836 -5.836 646 2HB PRO 8 HB1 PRO 8 4.439 -5.061 -5.061 647 1HG PRO 8 HG2 PRO 8 4.787 -7.872 -7.872 648 2HG PRO 8 HG1 PRO 8 3.628 -7.217 -7.217 649 1HD PRO 8 HD2 PRO 8 3.090 -7.877 -7.877 650 2HD PRO 8 HD1 PRO 8 2.017 -7.004 -7.004 651 HA PRO 9 HA PRO 9 7.090 -5.531 -5.531 652 1HB PRO 9 HB2 PRO 9 8.112 -3.070 -3.070 653 2HB PRO 9 HB1 PRO 9 6.564 -3.680 -3.680 654 1HG PRO 9 HG2 PRO 9 7.066 -1.592 -1.592 655 2HG PRO 9 HG1 PRO 9 5.656 -1.810 -1.810 656 1HD PRO 9 HD2 PRO 9 5.836 -2.551 -2.551 657 2HD PRO 9 HD1 PRO 9 4.549 -3.013 -3.013 658 H LYS 10 HN LYS 10 8.723 -6.594 -6.594 659 HA LYS 10 HA LYS 10 11.060 -4.965 -4.965 660 1HB LYS 10 HB2 LYS 10 9.283 -6.313 -6.313 661 2HB LYS 10 HB1 LYS 10 11.023 -6.342 -6.342 662 1HG LYS 10 HG2 LYS 10 11.017 -3.830 -3.830 663 2HG LYS 10 HG1 LYS 10 9.256 -3.908 -3.908 664 1HD LYS 10 HD2 LYS 10 9.520 -3.600 -3.600 665 2HD LYS 10 HD1 LYS 10 9.865 -5.329 -5.329 666 1HE LYS 10 HE2 LYS 10 12.236 -4.941 -4.941 667 2HE LYS 10 HE1 LYS 10 12.003 -3.222 -3.222 668 1HZ LYS 10 HZ1 LYS 10 10.702 -3.322 -3.322 669 2HZ LYS 10 HZ3 LYS 10 11.629 -4.716 -4.716 670 3HZ LYS 10 HZ2 LYS 10 12.398 -3.223 -3.223 671 H THR 11 HN THR 11 12.971 -6.318 -6.318 672 HA THR 11 HA THR 11 12.778 -9.210 -9.210 673 HB THR 11 HB THR 11 14.119 -7.556 -7.556 674 HG1 THR 11 HG1 THR 11 12.285 -7.618 -7.618 675 1HG2 THR 11 HG23 THR 11 13.922 -10.466 -10.466 676 2HG2 THR 11 HG22 THR 11 13.901 -9.989 -9.989 677 3HG2 THR 11 HG21 THR 11 15.273 -9.557 -9.557 678 H TYR 12 HN TYR 12 15.302 -6.780 -6.780 679 HA TYR 12 HA TYR 12 16.811 -7.494 -7.494 680 1HB TYR 12 HB2 TYR 12 17.388 -9.255 -9.255 681 2HB TYR 12 HB1 TYR 12 18.061 -7.962 -7.962 682 HD1 TYR 12 HD1 TYR 12 18.171 -8.916 -8.916 683 HD2 TYR 12 HD2 TYR 12 20.375 -7.778 -7.778 684 HE1 TYR 12 HE1 TYR 12 20.286 -9.023 -9.023 685 HE2 TYR 12 HE2 TYR 12 22.490 -7.884 -7.884 686 HH TYR 12 HH TYR 12 23.326 -9.055 -9.055 687 H LYS 13 HN LYS 13 17.597 -6.098 -6.098 688 HA LYS 13 HA LYS 13 18.372 -3.970 -3.970 689 1HB LYS 13 HB2 LYS 13 16.415 -3.548 -3.548 690 2HB LYS 13 HB1 LYS 13 17.739 -2.418 -2.418 691 1HG LYS 13 HG2 LYS 13 16.415 -2.807 -2.807 692 2HG LYS 13 HG1 LYS 13 15.928 -1.561 -1.561 693 1HD LYS 13 HD2 LYS 13 17.799 -0.297 -0.297 694 2HD LYS 13 HD1 LYS 13 18.836 -1.709 -1.709 695 1HE LYS 13 HE2 LYS 13 18.787 -1.214 -1.214 696 2HE LYS 13 HE1 LYS 13 17.152 -1.873 -1.873 697 1HZ LYS 13 HZ1 LYS 13 16.346 0.371 0.371 698 2HZ LYS 13 HZ3 LYS 13 17.924 0.967 0.967 699 3HZ LYS 13 HZ2 LYS 13 17.110 0.307 0.307 700 H ARG 14 HN ARG 14 20.377 -3.047 -3.047 701 HA ARG 14 HA ARG 14 22.227 -3.994 -3.994 702 1HB ARG 14 HB2 ARG 14 22.803 -3.524 -3.524 703 2HB ARG 14 HB1 ARG 14 22.719 -1.808 -1.808 704 1HG ARG 14 HG2 ARG 14 24.348 -2.453 -2.453 705 2HG ARG 14 HG1 ARG 14 24.676 -3.878 -3.878 706 1HD ARG 14 HD2 ARG 14 24.989 -2.167 -2.167 707 2HD ARG 14 HD1 ARG 14 25.173 -0.981 -0.981 708 HE ARG 14 HE ARG 14 26.866 -3.281 -3.281 709 1HH1 ARG 14 HH11 ARG 14 26.996 -0.027 -0.027 710 2HH1 ARG 14 HH12 ARG 14 28.458 0.059 0.059 711 1HH2 ARG 14 HH21 ARG 14 28.543 -3.339 -3.339 712 2HH2 ARG 14 HH22 ARG 14 29.333 -1.815 -1.815 713 H GLU 15 HN GLU 15 23.237 -2.711 -2.711 714 HA GLU 15 HA GLU 15 22.502 0.108 0.108 715 1HB GLU 15 HB2 GLU 15 21.470 -0.275 -0.275 716 2HB GLU 15 HB1 GLU 15 20.500 -0.916 -0.916 717 1HG GLU 15 HG2 GLU 15 21.148 -3.149 -3.149 718 2HG GLU 15 HG1 GLU 15 22.509 -2.639 -2.639 Start of MODEL 26 1 1H GLY -8 HT3 GLY -8 16.221 -12.249 -12.249 2 2H GLY -8 HT2 GLY -8 14.927 -13.062 -13.062 3 3H GLY -8 HT1 GLY -8 16.360 -13.900 -13.900 4 1HA GLY -8 HA1 GLY -8 17.332 -12.261 -12.261 5 2HA GLY -8 HA2 GLY -8 16.568 -13.655 -13.655 6 H SER -7 HN SER -7 14.681 -11.069 -11.069 7 HA SER -7 HA SER -7 15.542 -8.773 -8.773 8 1HB SER -7 HB2 SER -7 14.655 -10.082 -10.082 9 2HB SER -7 HB1 SER -7 13.158 -10.378 -10.378 10 HG SER -7 HG SER -7 13.713 -8.366 -8.366 11 H ARG -6 HN ARG -6 14.867 -7.083 -7.083 12 HA ARG -6 HA ARG -6 12.377 -7.432 -7.432 13 1HB ARG -6 HB2 ARG -6 14.988 -6.057 -6.057 14 2HB ARG -6 HB1 ARG -6 13.527 -5.404 -5.404 15 1HG ARG -6 HG2 ARG -6 13.205 -7.258 -7.258 16 2HG ARG -6 HG1 ARG -6 13.964 -8.352 -8.352 17 1HD ARG -6 HD2 ARG -6 16.177 -7.391 -7.391 18 2HD ARG -6 HD1 ARG -6 15.411 -6.328 -6.328 19 HE ARG -6 HE ARG -6 14.903 -9.198 -9.198 20 1HH1 ARG -6 HH11 ARG -6 14.597 -7.933 -7.933 21 2HH1 ARG -6 HH12 ARG -6 16.159 -7.875 -7.875 22 1HH2 ARG -6 HH21 ARG -6 17.883 -8.473 -8.473 23 2HH2 ARG -6 HH22 ARG -6 18.019 -8.180 -8.180 24 H ARG -5 HN ARG -5 10.717 -6.373 -6.373 25 HA ARG -5 HA ARG -5 11.192 -3.580 -3.580 26 1HB ARG -5 HB2 ARG -5 9.739 -5.723 -5.723 27 2HB ARG -5 HB1 ARG -5 9.791 -4.012 -4.012 28 1HG ARG -5 HG2 ARG -5 12.266 -4.134 -4.134 29 2HG ARG -5 HG1 ARG -5 12.186 -5.857 -5.857 30 1HD ARG -5 HD2 ARG -5 11.070 -6.354 -6.354 31 2HD ARG -5 HD1 ARG -5 10.684 -4.658 -4.658 32 HE ARG -5 HE ARG -5 13.505 -5.651 -5.651 33 1HH1 ARG -5 HH11 ARG -5 14.002 -3.093 -3.093 34 2HH1 ARG -5 HH12 ARG -5 13.506 -2.747 -2.747 35 1HH2 ARG -5 HH21 ARG -5 11.484 -5.552 -5.552 36 2HH2 ARG -5 HH22 ARG -5 12.077 -4.136 -4.136 37 H ALA -4 HN ALA -4 10.011 -2.713 -2.713 38 HA ALA -4 HA ALA -4 7.364 -3.785 -3.785 39 1HB ALA -4 HB1 ALA -4 8.835 -1.305 -1.305 40 2HB ALA -4 HB3 ALA -4 7.316 -1.897 -1.897 41 3HB ALA -4 HB2 ALA -4 8.784 -2.863 -2.863 42 H SER -3 HN SER -3 5.383 -2.587 -2.587 43 HA SER -3 HA SER -3 5.458 -0.197 -0.197 44 1HB SER -3 HB2 SER -3 5.257 -2.553 -2.553 45 2HB SER -3 HB1 SER -3 3.562 -2.342 -2.342 46 HG SER -3 HG SER -3 4.781 -1.272 -1.272 47 H VAL -2 HN VAL -2 2.806 0.091 0.091 48 HA VAL -2 HA VAL -2 1.695 0.665 0.665 49 HB VAL -2 HB VAL -2 -0.203 1.630 1.630 50 1HG1 VAL -2 HG13 VAL -2 2.087 2.777 2.777 51 2HG1 VAL -2 HG12 VAL -2 2.384 2.572 2.572 52 3HG1 VAL -2 HG11 VAL -2 1.008 3.527 3.527 53 1HG2 VAL -2 HG23 VAL -2 0.419 -0.134 -0.134 54 2HG2 VAL -2 HG22 VAL -2 -0.365 1.401 1.401 55 3HG2 VAL -2 HG21 VAL -2 1.377 1.226 1.226 56 H GLY -1 HN GLY -1 -0.963 0.209 0.209 57 1HA GLY -1 HA2 GLY -1 -2.630 -1.521 -1.521 58 2HA GLY -1 HA1 GLY -1 -1.314 -2.671 -2.671 59 H SER 0 HN SER 0 -2.829 -0.653 -0.653 60 HA SER 0 HA SER 0 -1.524 -2.031 -2.031 61 1HB SER 0 HB2 SER 0 -3.783 -0.075 -0.075 62 2HB SER 0 HB1 SER 0 -3.568 -0.947 -0.947 63 HG SER 0 HG SER 0 -1.313 -0.218 -0.218 64 H MET 1 HN MET 1 -2.703 -3.298 -3.298 65 HA MET 1 HA MET 1 -4.901 -4.926 -4.926 66 1HB MET 1 HB2 MET 1 -2.409 -5.737 -5.737 67 2HB MET 1 HB1 MET 1 -3.873 -6.678 -6.678 68 1HG MET 1 HG2 MET 1 -4.037 -7.396 -7.396 69 2HG MET 1 HG1 MET 1 -3.161 -6.006 -6.006 70 1HE MET 1 HE3 MET 1 -1.328 -5.924 -5.924 71 2HE MET 1 HE2 MET 1 0.181 -6.749 -6.749 72 3HE MET 1 HE1 MET 1 -0.981 -7.511 -7.511 73 H GLU 2 HN GLU 2 -5.727 -6.310 -6.310 74 HA GLU 2 HA GLU 2 -6.324 -4.191 -4.191 75 1HB GLU 2 HB2 GLU 2 -8.083 -5.547 -5.547 76 2HB GLU 2 HB1 GLU 2 -8.332 -6.268 -6.268 77 1HG GLU 2 HG2 GLU 2 -9.002 -4.242 -4.242 78 2HG GLU 2 HG1 GLU 2 -8.203 -3.280 -3.280 79 H ALA 3 HN ALA 3 -7.211 -5.439 -5.439 80 HA ALA 3 HA ALA 3 -6.073 -8.070 -8.070 81 1HB ALA 3 HB3 ALA 3 -4.511 -5.837 -5.837 82 2HB ALA 3 HB2 ALA 3 -5.032 -6.436 -6.436 83 3HB ALA 3 HB1 ALA 3 -4.190 -7.510 -7.510 84 H ILE 4 HN ILE 4 -7.629 -9.050 -9.050 85 HA ILE 4 HA ILE 4 -9.839 -7.908 -7.908 86 HB ILE 4 HB ILE 4 -9.964 -10.098 -10.098 87 1HG1 ILE 4 HG12 ILE 4 -10.068 -11.030 -11.030 88 2HG1 ILE 4 HG11 ILE 4 -10.837 -9.455 -9.455 89 1HG2 ILE 4 HG23 ILE 4 -7.493 -10.484 -10.484 90 2HG2 ILE 4 HG22 ILE 4 -8.606 -11.849 -11.849 91 3HG2 ILE 4 HG21 ILE 4 -8.035 -11.250 -11.250 92 1HD1 ILE 4 HD13 ILE 4 -11.383 -11.891 -11.891 93 2HD1 ILE 4 HD12 ILE 4 -12.407 -11.303 -11.303 94 3HD1 ILE 4 HD11 ILE 4 -12.176 -10.324 -10.324 95 H ALA 5 HN ALA 5 -10.002 -6.912 -6.912 96 HA ALA 5 HA ALA 5 -7.970 -7.068 -7.068 97 1HB ALA 5 HB1 ALA 5 -10.705 -5.764 -5.764 98 2HB ALA 5 HB3 ALA 5 -9.725 -5.734 -5.734 99 3HB ALA 5 HB2 ALA 5 -9.129 -4.972 -4.972 100 H LYS 6 HN LYS 6 -7.896 -9.048 -9.048 101 HA LYS 6 HA LYS 6 -10.076 -10.864 -10.864 102 1HB LYS 6 HB2 LYS 6 -7.520 -10.729 -10.729 103 2HB LYS 6 HB1 LYS 6 -8.577 -12.131 -12.131 104 1HG LYS 6 HG2 LYS 6 -8.045 -12.392 -12.392 105 2HG LYS 6 HG1 LYS 6 -7.335 -10.785 -10.785 106 1HD LYS 6 HD2 LYS 6 -5.541 -12.401 -12.401 107 2HD LYS 6 HD1 LYS 6 -5.560 -11.523 -11.523 108 1HE LYS 6 HE2 LYS 6 -6.871 -13.373 -13.373 109 2HE LYS 6 HE1 LYS 6 -6.792 -14.251 -14.251 110 1HZ LYS 6 HZ3 LYS 6 -4.413 -13.363 -13.363 111 2HZ LYS 6 HZ2 LYS 6 -5.079 -14.924 -14.924 112 3HZ LYS 6 HZ1 LYS 6 -4.428 -14.359 -14.359 113 H TYR 7 HN TYR 7 -9.013 -8.165 -8.165 114 HA TYR 7 HA TYR 7 -11.308 -8.596 -8.596 115 1HB TYR 7 HB2 TYR 7 -8.547 -8.153 -8.153 116 2HB TYR 7 HB1 TYR 7 -10.032 -8.527 -8.527 117 HD1 TYR 7 HD2 TYR 7 -7.447 -9.873 -9.873 118 HD2 TYR 7 HD1 TYR 7 -10.837 -10.799 -10.799 119 HE1 TYR 7 HE2 TYR 7 -6.909 -12.282 -12.282 120 HE2 TYR 7 HE1 TYR 7 -10.307 -13.218 -13.218 121 HH TYR 7 HH TYR 7 -9.101 -14.734 -14.734 122 H ASP 8 HN ASP 8 -10.964 -6.731 -6.731 123 HA ASP 8 HA ASP 8 -11.008 -4.262 -4.262 124 1HB ASP 8 HB2 ASP 8 -12.210 -3.335 -3.335 125 2HB ASP 8 HB1 ASP 8 -12.839 -4.963 -4.963 126 H PHE 9 HN PHE 9 -10.015 -2.282 -2.282 127 HA PHE 9 HA PHE 9 -7.949 -2.424 -2.424 128 1HB PHE 9 HB2 PHE 9 -7.131 -3.709 -3.709 129 2HB PHE 9 HB1 PHE 9 -6.419 -2.103 -2.103 130 HD1 PHE 9 HD1 PHE 9 -7.110 -4.368 -4.368 131 HD2 PHE 9 HD2 PHE 9 -4.191 -2.137 -2.137 132 HE1 PHE 9 HE1 PHE 9 -5.365 -5.003 -5.003 133 HE2 PHE 9 HE2 PHE 9 -2.446 -2.765 -2.765 134 HZ PHE 9 HZ PHE 9 -3.034 -4.199 -4.199 135 H LYS 10 HN LYS 10 -6.296 -0.503 -0.503 136 HA LYS 10 HA LYS 10 -7.504 1.723 1.723 137 1HB LYS 10 HB2 LYS 10 -8.080 1.464 1.464 138 2HB LYS 10 HB1 LYS 10 -6.761 2.633 2.633 139 1HG LYS 10 HG2 LYS 10 -7.980 4.083 4.083 140 2HG LYS 10 HG1 LYS 10 -9.202 2.848 2.848 141 1HD LYS 10 HD2 LYS 10 -10.136 4.409 4.409 142 2HD LYS 10 HD1 LYS 10 -9.781 2.913 2.913 143 1HE LYS 10 HE2 LYS 10 -7.556 3.931 3.931 144 2HE LYS 10 HE1 LYS 10 -8.141 5.457 5.457 145 1HZ LYS 10 HZ3 LYS 10 -10.171 4.970 4.970 146 2HZ LYS 10 HZ2 LYS 10 -9.081 3.974 3.974 147 3HZ LYS 10 HZ1 LYS 10 -8.761 5.633 5.633 148 H ALA 11 HN ALA 11 -6.050 3.518 3.518 149 HA ALA 11 HA ALA 11 -3.413 2.647 2.647 150 1HB ALA 11 HB2 ALA 11 -4.453 5.464 5.464 151 2HB ALA 11 HB1 ALA 11 -2.876 5.027 5.027 152 3HB ALA 11 HB3 ALA 11 -4.367 4.538 4.538 153 H THR 12 HN THR 12 -1.617 2.612 2.612 154 HA THR 12 HA THR 12 -2.046 3.614 3.614 155 HB THR 12 HB THR 12 0.092 2.252 2.252 156 HG1 THR 12 HG1 THR 12 0.375 0.613 0.613 157 1HG2 THR 12 HG22 THR 12 -2.620 1.255 1.255 158 2HG2 THR 12 HG21 THR 12 -1.357 0.037 0.037 159 3HG2 THR 12 HG23 THR 12 -1.722 1.119 1.119 160 H ALA 13 HN ALA 13 0.659 3.446 3.446 161 HA ALA 13 HA ALA 13 2.111 5.636 5.636 162 1HB ALA 13 HB2 ALA 13 2.249 4.387 4.387 163 2HB ALA 13 HB1 ALA 13 3.366 5.622 5.622 164 3HB ALA 13 HB3 ALA 13 3.309 4.047 4.047 165 H ASP 14 HN ASP 14 2.699 7.424 7.424 166 HA ASP 14 HA ASP 14 0.187 8.883 8.883 167 1HB ASP 14 HB2 ASP 14 2.399 9.705 9.705 168 2HB ASP 14 HB1 ASP 14 2.936 9.855 9.855 169 H ASP 15 HN ASP 15 1.236 6.599 6.599 170 HA ASP 15 HA ASP 15 0.440 7.944 7.944 171 1HB ASP 15 HB2 ASP 15 3.156 6.962 6.962 172 2HB ASP 15 HB1 ASP 15 2.506 6.586 6.586 173 H GLU 16 HN GLU 16 -0.440 5.654 5.654 174 HA GLU 16 HA GLU 16 -0.379 3.369 3.369 175 1HB GLU 16 HB2 GLU 16 -1.756 3.438 3.438 176 2HB GLU 16 HB1 GLU 16 -1.250 2.024 2.024 177 1HG GLU 16 HG2 GLU 16 1.117 3.259 3.259 178 2HG GLU 16 HG1 GLU 16 0.342 3.882 3.882 179 H LEU 17 HN LEU 17 -2.722 2.150 2.150 180 HA LEU 17 HA LEU 17 -4.808 4.112 4.112 181 1HB LEU 17 HB2 LEU 17 -3.885 3.298 3.298 182 2HB LEU 17 HB1 LEU 17 -4.025 1.638 1.638 183 HG LEU 17 HG LEU 17 -6.574 2.124 2.124 184 1HD1 LEU 17 HD12 LEU 17 -5.652 4.684 4.684 185 2HD1 LEU 17 HD11 LEU 17 -6.535 4.010 4.010 186 3HD1 LEU 17 HD13 LEU 17 -7.322 4.155 4.155 187 1HD2 LEU 17 HD21 LEU 17 -4.879 1.566 1.566 188 2HD2 LEU 17 HD23 LEU 17 -6.247 0.658 0.658 189 3HD2 LEU 17 HD22 LEU 17 -6.530 2.068 2.068 190 H SER 18 HN SER 18 -6.817 3.651 3.651 191 HA SER 18 HA SER 18 -7.110 1.387 1.387 192 1HB SER 18 HB2 SER 18 -9.233 2.630 2.630 193 2HB SER 18 HB1 SER 18 -7.798 3.541 3.541 194 HG SER 18 HG SER 18 -9.009 4.877 4.877 195 H PHE 19 HN PHE 19 -9.377 0.342 0.342 196 HA PHE 19 HA PHE 19 -10.983 0.284 0.284 197 1HB PHE 19 HB2 PHE 19 -10.229 -1.896 -1.896 198 2HB PHE 19 HB1 PHE 19 -9.070 -0.585 -0.585 199 HD1 PHE 19 HD2 PHE 19 -9.860 -3.586 -3.586 200 HD2 PHE 19 HD1 PHE 19 -6.892 -0.660 -0.660 201 HE1 PHE 19 HE2 PHE 19 -8.119 -4.930 -4.930 202 HE2 PHE 19 HE1 PHE 19 -5.157 -2.001 -2.001 203 HZ PHE 19 HZ PHE 19 -5.771 -4.137 -4.137 204 H LYS 20 HN LYS 20 -12.305 -1.856 -1.856 205 HA LYS 20 HA LYS 20 -12.621 -2.784 -2.784 206 1HB LYS 20 HB2 LYS 20 -14.723 -2.643 -2.643 207 2HB LYS 20 HB1 LYS 20 -14.989 -3.028 -3.028 208 1HG LYS 20 HG2 LYS 20 -13.560 -0.519 -0.519 209 2HG LYS 20 HG1 LYS 20 -15.058 -0.483 -0.483 210 1HD LYS 20 HD2 LYS 20 -15.814 -1.685 -1.685 211 2HD LYS 20 HD1 LYS 20 -14.664 -0.449 -0.449 212 1HE LYS 20 HE2 LYS 20 -17.004 0.415 0.415 213 2HE LYS 20 HE1 LYS 20 -15.925 1.269 1.269 214 1HZ LYS 20 HZ3 LYS 20 -17.352 -1.086 -1.086 215 2HZ LYS 20 HZ2 LYS 20 -18.231 0.353 0.353 216 3HZ LYS 20 HZ1 LYS 20 -16.877 0.320 0.320 217 H ARG 21 HN ARG 21 -13.915 -4.946 -4.946 218 HA ARG 21 HA ARG 21 -12.300 -6.917 -6.917 219 1HB ARG 21 HB2 ARG 21 -13.321 -7.230 -7.230 220 2HB ARG 21 HB1 ARG 21 -14.920 -7.186 -7.186 221 1HG ARG 21 HG2 ARG 21 -14.587 -9.233 -9.233 222 2HG ARG 21 HG1 ARG 21 -12.831 -9.160 -9.160 223 1HD ARG 21 HD2 ARG 21 -12.916 -10.058 -10.058 224 2HD ARG 21 HD1 ARG 21 -14.275 -9.035 -9.035 225 HE ARG 21 HE ARG 21 -15.788 -10.709 -10.709 226 1HH1 ARG 21 HH21 ARG 21 -14.885 -12.204 -12.204 227 2HH1 ARG 21 HH22 ARG 21 -14.077 -13.588 -13.588 228 1HH2 ARG 21 HH11 ARG 21 -13.688 -12.198 -12.198 229 2HH2 ARG 21 HH12 ARG 21 -13.401 -13.586 -13.586 230 H GLY 22 HN GLY 22 -12.537 -7.039 -7.039 231 1HA GLY 22 HA2 GLY 22 -13.872 -8.130 -8.130 232 2HA GLY 22 HA1 GLY 22 -15.304 -7.383 -7.383 233 H ASP 23 HN ASP 23 -12.766 -5.156 -5.156 234 HA ASP 23 HA ASP 23 -13.825 -3.771 -3.771 235 1HB ASP 23 HB2 ASP 23 -13.069 -2.950 -2.950 236 2HB ASP 23 HB1 ASP 23 -11.861 -2.290 -2.290 237 H ILE 24 HN ILE 24 -12.737 -4.722 -4.722 238 HA ILE 24 HA ILE 24 -9.944 -5.380 -5.380 239 HB ILE 24 HB ILE 24 -11.425 -4.826 -4.826 240 1HG1 ILE 24 HG12 ILE 24 -11.746 -7.151 -7.151 241 2HG1 ILE 24 HG11 ILE 24 -13.015 -6.193 -6.193 242 1HG2 ILE 24 HG22 ILE 24 -8.877 -5.549 -5.549 243 2HG2 ILE 24 HG21 ILE 24 -9.610 -7.147 -7.147 244 3HG2 ILE 24 HG23 ILE 24 -9.758 -6.129 -6.129 245 1HD1 ILE 24 HD11 ILE 24 -11.804 -7.206 -7.206 246 2HD1 ILE 24 HD13 ILE 24 -11.511 -8.512 -8.512 247 3HD1 ILE 24 HD12 ILE 24 -13.161 -7.989 -7.989 248 H LEU 25 HN LEU 25 -8.185 -4.215 -4.215 249 HA LEU 25 HA LEU 25 -8.606 -1.295 -1.295 250 1HB LEU 25 HB2 LEU 25 -5.973 -2.747 -2.747 251 2HB LEU 25 HB1 LEU 25 -6.304 -1.041 -1.041 252 HG LEU 25 HG LEU 25 -6.276 -1.975 -1.975 253 1HD1 LEU 25 HD11 LEU 25 -9.172 -1.915 -1.915 254 2HD1 LEU 25 HD13 LEU 25 -8.626 -1.885 -1.885 255 3HD1 LEU 25 HD12 LEU 25 -8.220 -0.557 -0.557 256 1HD2 LEU 25 HD22 LEU 25 -6.700 -4.375 -4.375 257 2HD2 LEU 25 HD21 LEU 25 -6.854 -4.111 -4.111 258 3HD2 LEU 25 HD23 LEU 25 -8.292 -4.106 -4.106 259 H LYS 26 HN LYS 26 -7.228 -0.090 -0.090 260 HA LYS 26 HA LYS 26 -6.850 -1.681 -1.681 261 1HB LYS 26 HB2 LYS 26 -7.095 1.323 1.323 262 2HB LYS 26 HB1 LYS 26 -6.935 0.521 0.521 263 1HG LYS 26 HG2 LYS 26 -9.034 -0.861 -0.861 264 2HG LYS 26 HG1 LYS 26 -9.284 0.674 0.674 265 1HD LYS 26 HD2 LYS 26 -10.463 0.945 0.945 266 2HD LYS 26 HD1 LYS 26 -8.926 1.757 1.757 267 1HE LYS 26 HE2 LYS 26 -8.110 -0.501 -0.501 268 2HE LYS 26 HE1 LYS 26 -9.809 -0.973 -0.973 269 1HZ LYS 26 HZ2 LYS 26 -8.986 1.577 1.577 270 2HZ LYS 26 HZ1 LYS 26 -8.774 0.127 0.127 271 3HZ LYS 26 HZ3 LYS 26 -10.326 0.596 0.596 272 H VAL 27 HN VAL 27 -4.767 -2.490 -2.490 273 HA VAL 27 HA VAL 27 -2.652 -1.183 -1.183 274 HB VAL 27 HB VAL 27 -2.338 -3.107 -3.107 275 1HG1 VAL 27 HG11 VAL 27 -0.406 -1.707 -1.707 276 2HG1 VAL 27 HG13 VAL 27 -0.561 -3.084 -3.084 277 3HG1 VAL 27 HG12 VAL 27 -0.159 -3.350 -3.350 278 1HG2 VAL 27 HG22 VAL 27 -3.336 -3.438 -3.438 279 2HG2 VAL 27 HG21 VAL 27 -3.614 -4.447 -4.447 280 3HG2 VAL 27 HG23 VAL 27 -2.112 -4.605 -4.605 281 H LEU 28 HN LEU 28 -1.764 0.687 0.687 282 HA LEU 28 HA LEU 28 -1.613 1.709 1.709 283 1HB LEU 28 HB2 LEU 28 -0.532 3.099 3.099 284 2HB LEU 28 HB1 LEU 28 -1.062 3.822 3.822 285 HG LEU 28 HG LEU 28 -3.051 2.318 2.318 286 1HD1 LEU 28 HD13 LEU 28 -1.722 4.890 4.890 287 2HD1 LEU 28 HD12 LEU 28 -3.468 4.808 4.808 288 3HD1 LEU 28 HD11 LEU 28 -2.422 3.674 3.674 289 1HD2 LEU 28 HD22 LEU 28 -3.002 4.260 4.260 290 2HD2 LEU 28 HD21 LEU 28 -4.203 3.031 3.031 291 3HD2 LEU 28 HD23 LEU 28 -4.223 4.585 4.585 292 H ASN 29 HN ASN 29 0.328 0.556 0.556 293 HA ASN 29 HA ASN 29 2.717 0.597 0.597 294 1HB ASN 29 HB2 ASN 29 2.670 2.021 2.021 295 2HB ASN 29 HB1 ASN 29 3.069 0.459 0.459 296 1HD2 ASN 29 HD21 ASN 29 4.303 3.083 3.083 297 2HD2 ASN 29 HD22 ASN 29 5.870 2.460 2.460 298 H GLU 30 HN GLU 30 3.354 -1.371 -1.371 299 HA GLU 30 HA GLU 30 2.173 -3.803 -3.803 300 1HB GLU 30 HB2 GLU 30 4.766 -3.068 -3.068 301 2HB GLU 30 HB1 GLU 30 4.473 -4.746 -4.746 302 1HG GLU 30 HG2 GLU 30 2.732 -4.992 -4.992 303 2HG GLU 30 HG1 GLU 30 2.307 -3.281 -3.281 304 H GLU 31 HN GLU 31 3.916 -5.627 -5.627 305 HA GLU 31 HA GLU 31 3.990 -5.655 -5.655 306 1HB GLU 31 HB2 GLU 31 6.043 -6.811 -6.811 307 2HB GLU 31 HB1 GLU 31 5.995 -7.166 -7.166 308 1HG GLU 31 HG2 GLU 31 3.367 -7.578 -7.578 309 2HG GLU 31 HG1 GLU 31 4.254 -8.152 -8.152 310 H CYS 32 HN CYS 32 5.523 -5.250 -5.250 311 HA CYS 32 HA CYS 32 8.015 -3.900 -3.900 312 1HB CYS 32 HB2 CYS 32 5.589 -2.212 -2.212 313 2HB CYS 32 HB1 CYS 32 6.769 -1.747 -1.747 314 HG CYS 32 HG CYS 32 7.085 -0.842 -0.842 315 H ASP 33 HN ASP 33 8.725 -3.064 -3.064 316 HA ASP 33 HA ASP 33 9.109 -3.571 -3.571 317 1HB ASP 33 HB2 ASP 33 7.023 -2.179 -2.179 318 2HB ASP 33 HB1 ASP 33 6.125 -3.671 -3.671 319 H GLN 34 HN GLN 34 8.402 -5.337 -5.337 320 HA GLN 34 HA GLN 34 8.698 -7.815 -7.815 321 1HB GLN 34 HB2 GLN 34 9.733 -6.929 -6.929 322 2HB GLN 34 HB1 GLN 34 8.432 -7.974 -7.974 323 1HG GLN 34 HG2 GLN 34 9.331 -9.880 -9.880 324 2HG GLN 34 HG1 GLN 34 10.355 -8.911 -8.911 325 1HE2 GLN 34 HE22 GLN 34 13.015 -8.723 -8.723 326 2HE2 GLN 34 HE21 GLN 34 12.431 -8.297 -8.297 327 H ASN 35 HN ASN 35 6.006 -6.169 -6.169 328 HA ASN 35 HA ASN 35 4.261 -8.448 -8.448 329 1HB ASN 35 HB2 ASN 35 4.836 -7.591 -7.591 330 2HB ASN 35 HB1 ASN 35 3.181 -8.023 -8.023 331 1HD2 ASN 35 HD22 ASN 35 4.163 -11.450 -11.450 332 2HD2 ASN 35 HD21 ASN 35 3.242 -10.188 -10.188 333 H TRP 36 HN TRP 36 4.593 -5.359 -5.359 334 HA TRP 36 HA TRP 36 1.661 -4.845 -4.845 335 1HB TRP 36 HB2 TRP 36 3.599 -2.625 -2.625 336 2HB TRP 36 HB1 TRP 36 1.841 -2.594 -2.594 337 HD1 TRP 36 HD1 TRP 36 4.571 -4.971 -4.971 338 HE1 TRP 36 HE1 TRP 36 4.131 -5.183 -5.183 339 HE3 TRP 36 HE3 TRP 36 0.411 -1.932 -1.932 340 HZ2 TRP 36 HZ2 TRP 36 2.355 -4.205 -4.205 341 HZ3 TRP 36 HZ3 TRP 36 -0.555 -1.582 -1.582 342 HH2 TRP 36 HH2 TRP 36 0.395 -2.719 -2.719 343 H TYR 37 HN TYR 37 0.874 -3.744 -3.744 344 HA TYR 37 HA TYR 37 2.838 -3.045 -3.045 345 1HB TYR 37 HB2 TYR 37 -0.151 -3.468 -3.468 346 2HB TYR 37 HB1 TYR 37 1.046 -3.411 -3.411 347 HD1 TYR 37 HD1 TYR 37 3.153 -5.227 -5.227 348 HD2 TYR 37 HD2 TYR 37 -1.128 -5.538 -5.538 349 HE1 TYR 37 HE1 TYR 37 3.330 -7.702 -7.702 350 HE2 TYR 37 HE2 TYR 37 -0.978 -7.997 -7.997 351 HH TYR 37 HH TYR 37 0.441 -9.784 -9.784 352 H LYS 38 HN LYS 38 1.031 -1.461 -1.461 353 HA LYS 38 HA LYS 38 0.202 0.782 0.782 354 1HB LYS 38 HB2 LYS 38 2.349 1.098 1.098 355 2HB LYS 38 HB1 LYS 38 1.114 1.339 1.339 356 1HG LYS 38 HG2 LYS 38 0.094 2.863 2.863 357 2HG LYS 38 HG1 LYS 38 1.816 3.033 3.033 358 1HD LYS 38 HD2 LYS 38 1.324 3.262 3.262 359 2HD LYS 38 HD1 LYS 38 0.308 4.400 4.400 360 1HE LYS 38 HE2 LYS 38 2.075 5.687 5.687 361 2HE LYS 38 HE1 LYS 38 3.062 4.287 4.287 362 1HZ LYS 38 HZ3 LYS 38 2.508 4.823 4.823 363 2HZ LYS 38 HZ2 LYS 38 3.666 5.778 5.778 364 3HZ LYS 38 HZ1 LYS 38 3.861 4.093 4.093 365 H ALA 39 HN ALA 39 -1.893 1.653 1.653 366 HA ALA 39 HA ALA 39 -3.093 0.873 0.873 367 1HB ALA 39 HB1 ALA 39 -3.155 -1.262 -1.262 368 2HB ALA 39 HB3 ALA 39 -4.125 -0.475 -0.475 369 3HB ALA 39 HB2 ALA 39 -4.767 -0.643 -0.643 370 H GLU 40 HN GLU 40 -5.631 1.070 1.070 371 HA GLU 40 HA GLU 40 -6.181 3.374 3.374 372 1HB GLU 40 HB2 GLU 40 -5.791 4.905 4.905 373 2HB GLU 40 HB1 GLU 40 -5.145 3.637 3.637 374 1HG GLU 40 HG2 GLU 40 -7.346 3.345 3.345 375 2HG GLU 40 HG1 GLU 40 -8.084 4.464 4.464 376 H LEU 41 HN LEU 41 -8.135 3.523 3.523 377 HA LEU 41 HA LEU 41 -10.213 1.760 1.760 378 1HB LEU 41 HB2 LEU 41 -9.789 2.913 2.913 379 2HB LEU 41 HB1 LEU 41 -11.459 2.653 2.653 380 HG LEU 41 HG LEU 41 -9.398 0.540 0.540 381 1HD1 LEU 41 HD12 LEU 41 -10.894 1.281 1.281 382 2HD1 LEU 41 HD11 LEU 41 -10.422 -0.391 -0.391 383 3HD1 LEU 41 HD13 LEU 41 -9.190 0.865 0.865 384 1HD2 LEU 41 HD22 LEU 41 -11.697 0.566 0.566 385 2HD2 LEU 41 HD21 LEU 41 -11.321 -0.877 -0.877 386 3HD2 LEU 41 HD23 LEU 41 -12.364 0.376 0.376 387 H ASN 42 HN ASN 42 -10.905 2.746 2.746 388 HA ASN 42 HA ASN 42 -11.998 4.347 4.347 389 1HB ASN 42 HB2 ASN 42 -13.470 3.918 3.918 390 2HB ASN 42 HB1 ASN 42 -14.030 5.225 5.225 391 1HD2 ASN 42 HD22 ASN 42 -15.194 1.578 1.578 392 2HD2 ASN 42 HD21 ASN 42 -14.776 2.126 2.126 393 H GLY 43 HN GLY 43 -9.858 5.627 5.627 394 1HA GLY 43 HA2 GLY 43 -9.792 8.219 8.219 395 2HA GLY 43 HA1 GLY 43 -11.021 8.288 8.288 396 H LYS 44 HN LYS 44 -9.811 6.325 6.325 397 HA LYS 44 HA LYS 44 -7.730 7.946 7.946 398 1HB LYS 44 HB2 LYS 44 -9.453 5.704 5.704 399 2HB LYS 44 HB1 LYS 44 -7.882 5.940 5.940 400 1HG LYS 44 HG2 LYS 44 -8.480 7.890 7.890 401 2HG LYS 44 HG1 LYS 44 -9.457 8.404 8.404 402 1HD LYS 44 HD2 LYS 44 -10.919 7.981 7.981 403 2HD LYS 44 HD1 LYS 44 -11.211 6.764 6.764 404 1HE LYS 44 HE2 LYS 44 -9.509 5.312 5.312 405 2HE LYS 44 HE1 LYS 44 -9.632 6.462 6.462 406 1HZ LYS 44 HZ1 LYS 44 -11.906 4.974 4.974 407 2HZ LYS 44 HZ3 LYS 44 -11.166 4.604 4.604 408 3HZ LYS 44 HZ2 LYS 44 -12.009 6.067 6.067 409 H ASP 45 HN ASP 45 -5.860 6.657 6.657 410 HA ASP 45 HA ASP 45 -5.132 4.319 4.319 411 1HB ASP 45 HB2 ASP 45 -3.798 5.123 5.123 412 2HB ASP 45 HB1 ASP 45 -5.039 6.355 6.355 413 H GLY 46 HN GLY 46 -2.597 3.985 3.985 414 1HA GLY 46 HA2 GLY 46 -0.678 4.869 4.869 415 2HA GLY 46 HA1 GLY 46 -1.820 4.690 4.690 416 H PHE 47 HN PHE 47 0.348 3.344 3.344 417 HA PHE 47 HA PHE 47 0.606 0.795 0.795 418 1HB PHE 47 HB2 PHE 47 1.705 2.114 2.114 419 2HB PHE 47 HB1 PHE 47 1.878 0.366 0.366 420 HD1 PHE 47 HD2 PHE 47 2.758 3.628 3.628 421 HD2 PHE 47 HD1 PHE 47 3.253 -0.631 -0.631 422 HE1 PHE 47 HE2 PHE 47 4.637 3.946 3.946 423 HE2 PHE 47 HE1 PHE 47 5.132 -0.313 -0.313 424 HZ PHE 47 HZ PHE 47 5.824 1.975 1.975 425 H ILE 48 HN ILE 48 -0.163 -1.275 -1.275 426 HA ILE 48 HA ILE 48 -2.002 -1.286 -1.286 427 HB ILE 48 HB ILE 48 -3.495 -2.808 -2.808 428 1HG1 ILE 48 HG12 ILE 48 -1.732 -1.853 -1.853 429 2HG1 ILE 48 HG11 ILE 48 -1.784 -3.501 -3.501 430 1HG2 ILE 48 HG22 ILE 48 -3.784 -0.279 -0.279 431 2HG2 ILE 48 HG21 ILE 48 -3.120 -0.139 -0.139 432 3HG2 ILE 48 HG23 ILE 48 -4.624 -1.021 -1.021 433 1HD1 ILE 48 HD13 ILE 48 -4.165 -2.032 -2.032 434 2HD1 ILE 48 HD12 ILE 48 -3.182 -3.209 -3.209 435 3HD1 ILE 48 HD11 ILE 48 -4.130 -3.715 -3.715 436 HA PRO 49 HA PRO 49 0.527 -4.843 -4.843 437 1HB PRO 49 HB2 PRO 49 -1.038 -5.967 -5.967 438 2HB PRO 49 HB1 PRO 49 0.087 -4.629 -4.629 439 1HG PRO 49 HG2 PRO 49 -2.906 -4.563 -4.563 440 2HG PRO 49 HG1 PRO 49 -1.841 -3.490 -3.490 441 1HD PRO 49 HD2 PRO 49 -2.957 -2.819 -2.819 442 2HD PRO 49 HD1 PRO 49 -1.553 -2.047 -2.047 443 H LYS 50 HN LYS 50 0.352 -6.145 -6.145 444 HA LYS 50 HA LYS 50 -1.789 -7.365 -7.365 445 1HB LYS 50 HB2 LYS 50 0.366 -7.446 -7.446 446 2HB LYS 50 HB1 LYS 50 1.073 -8.224 -8.224 447 1HG LYS 50 HG2 LYS 50 -1.119 -9.789 -9.789 448 2HG LYS 50 HG1 LYS 50 0.197 -9.518 -9.518 449 1HD LYS 50 HD2 LYS 50 1.739 -10.158 -10.158 450 2HD LYS 50 HD1 LYS 50 0.266 -10.918 -10.918 451 1HE LYS 50 HE2 LYS 50 0.078 -12.347 -12.347 452 2HE LYS 50 HE1 LYS 50 1.328 -11.451 -11.451 453 1HZ LYS 50 HZ2 LYS 50 1.759 -12.969 -12.969 454 2HZ LYS 50 HZ1 LYS 50 2.150 -13.535 -13.535 455 3HZ LYS 50 HZ3 LYS 50 2.951 -12.182 -12.182 456 H ASN 51 HN ASN 51 -0.519 -8.295 -8.295 457 HA ASN 51 HA ASN 51 -1.296 -10.937 -10.937 458 1HB ASN 51 HB2 ASN 51 -0.782 -8.829 -8.829 459 2HB ASN 51 HB1 ASN 51 -1.607 -10.227 -10.227 460 1HD2 ASN 51 HD22 ASN 51 1.389 -12.045 -12.045 461 2HD2 ASN 51 HD21 ASN 51 -0.182 -11.775 -11.775 462 H TYR 52 HN TYR 52 -3.153 -8.059 -8.059 463 HA TYR 52 HA TYR 52 -5.635 -9.571 -9.571 464 1HB TYR 52 HB2 TYR 52 -4.932 -6.630 -6.630 465 2HB TYR 52 HB1 TYR 52 -6.585 -7.176 -7.176 466 HD1 TYR 52 HD1 TYR 52 -3.652 -8.770 -8.770 467 HD2 TYR 52 HD2 TYR 52 -7.177 -6.378 -6.378 468 HE1 TYR 52 HE1 TYR 52 -3.495 -8.848 -8.848 469 HE2 TYR 52 HE2 TYR 52 -7.025 -6.451 -6.451 470 HH TYR 52 HH TYR 52 -6.034 -7.963 -7.963 471 H ILE 53 HN ILE 53 -4.245 -9.750 -9.750 472 HA ILE 53 HA ILE 53 -6.327 -8.893 -8.893 473 HB ILE 53 HB ILE 53 -3.723 -7.996 -7.996 474 1HG1 ILE 53 HG12 ILE 53 -5.269 -6.271 -6.271 475 2HG1 ILE 53 HG11 ILE 53 -3.800 -7.142 -7.142 476 1HG2 ILE 53 HG21 ILE 53 -6.553 -7.229 -7.229 477 2HG2 ILE 53 HG23 ILE 53 -5.332 -6.010 -6.010 478 3HG2 ILE 53 HG22 ILE 53 -5.326 -7.507 -7.507 479 1HD1 ILE 53 HD12 ILE 53 -3.418 -5.697 -5.697 480 2HD1 ILE 53 HD11 ILE 53 -3.986 -4.616 -4.616 481 3HD1 ILE 53 HD13 ILE 53 -2.528 -5.564 -5.564 482 H GLU 54 HN GLU 54 -5.721 -9.393 -9.393 483 HA GLU 54 HA GLU 54 -3.762 -11.412 -11.412 484 1HB GLU 54 HB2 GLU 54 -6.548 -12.053 -12.053 485 2HB GLU 54 HB1 GLU 54 -5.995 -12.413 -12.413 486 1HG GLU 54 HG2 GLU 54 -3.936 -13.472 -13.472 487 2HG GLU 54 HG1 GLU 54 -5.136 -13.615 -13.615 488 H MET 55 HN MET 55 -3.479 -11.661 -11.661 489 HA MET 55 HA MET 55 -4.220 -9.058 -9.058 490 1HB MET 55 HB2 MET 55 -2.372 -9.855 -9.855 491 2HB MET 55 HB1 MET 55 -1.927 -9.108 -9.108 492 1HG MET 55 HG2 MET 55 -1.515 -11.264 -11.264 493 2HG MET 55 HG1 MET 55 -2.149 -12.098 -12.098 494 1HE MET 55 HE1 MET 55 -0.621 -13.325 -13.325 495 2HE MET 55 HE3 MET 55 -1.062 -12.020 -12.020 496 3HE MET 55 HE2 MET 55 0.608 -12.571 -12.571 497 H LYS 56 HN LYS 56 -5.900 -9.090 -9.090 498 HA LYS 56 HA LYS 56 -6.509 -11.431 -11.431 499 1HB LYS 56 HB2 LYS 56 -7.999 -9.113 -9.113 500 2HB LYS 56 HB1 LYS 56 -8.520 -9.812 -9.812 501 1HG LYS 56 HG2 LYS 56 -8.917 -11.931 -11.931 502 2HG LYS 56 HG1 LYS 56 -7.956 -11.532 -11.532 503 1HD LYS 56 HD2 LYS 56 -10.381 -11.476 -11.476 504 2HD LYS 56 HD1 LYS 56 -9.650 -9.884 -9.884 505 1HE LYS 56 HE2 LYS 56 -11.754 -9.636 -9.636 506 2HE LYS 56 HE1 LYS 56 -10.426 -9.310 -9.310 507 1HZ LYS 56 HZ3 LYS 56 -11.834 -11.913 -11.913 508 2HZ LYS 56 HZ2 LYS 56 -12.118 -10.769 -10.769 509 3HZ LYS 56 HZ1 LYS 56 -10.609 -11.543 -11.543 510 HA PRO 57 HA PRO 57 -5.126 -9.571 -9.571 511 1HB PRO 57 HB2 PRO 57 -6.823 -10.553 -10.553 512 2HB PRO 57 HB1 PRO 57 -5.496 -11.470 -11.470 513 1HG PRO 57 HG2 PRO 57 -8.404 -11.619 -11.619 514 2HG PRO 57 HG1 PRO 57 -7.175 -12.866 -12.866 515 1HD PRO 57 HD2 PRO 57 -8.256 -11.435 -11.435 516 2HD PRO 57 HD1 PRO 57 -6.737 -12.358 -12.358 517 H HIS 58 HN HIS 58 -8.401 -9.546 -9.546 518 HA HIS 58 HA HIS 58 -9.237 -6.959 -6.959 519 1HB HIS 58 HB2 HIS 58 -8.709 -5.690 -5.690 520 2HB HIS 58 HB1 HIS 58 -7.293 -6.056 -6.056 521 HD1 HIS 58 HD1 HIS 58 -8.730 -6.571 -6.571 522 HD2 HIS 58 HD2 HIS 58 -5.762 -8.365 -8.365 523 HE1 HIS 58 HE1 HIS 58 -7.346 -7.987 -7.987 524 HA PRO 59 HA PRO 59 -12.365 -9.242 -9.242 525 1HB PRO 59 HB2 PRO 59 -14.534 -8.351 -8.351 526 2HB PRO 59 HB1 PRO 59 -13.544 -9.738 -9.738 527 1HG PRO 59 HG2 PRO 59 -13.601 -6.979 -6.979 528 2HG PRO 59 HG1 PRO 59 -13.168 -8.511 -8.511 529 1HD PRO 59 HD2 PRO 59 -11.342 -6.564 -6.564 530 2HD PRO 59 HD1 PRO 59 -10.940 -8.234 -8.234 531 H GLU 60 HN GLU 60 -13.895 -8.471 -8.471 532 HA GLU 60 HA GLU 60 -14.936 -5.821 -5.821 533 1HB GLU 60 HB2 GLU 60 -12.230 -5.760 -5.760 534 2HB GLU 60 HB1 GLU 60 -12.851 -5.933 -5.933 535 1HG GLU 60 HG2 GLU 60 -14.557 -4.045 -4.045 536 2HG GLU 60 HG1 GLU 60 -13.093 -3.657 -3.657 537 H PHE 61 HN PHE 61 -13.711 -8.588 -8.588 538 HA PHE 61 HA PHE 61 -15.291 -8.182 -8.182 539 1HB PHE 61 HB2 PHE 61 -14.122 -10.677 -10.677 540 2HB PHE 61 HB1 PHE 61 -14.965 -10.691 -10.691 541 HD1 PHE 61 HD2 PHE 61 -14.151 -8.363 -8.363 542 HD2 PHE 61 HD1 PHE 61 -11.820 -10.800 -10.800 543 HE1 PHE 61 HE2 PHE 61 -12.076 -7.620 -7.620 544 HE2 PHE 61 HE1 PHE 61 -9.746 -10.058 -10.058 545 HZ PHE 61 HZ PHE 61 -9.873 -8.467 -8.467 546 H ILE 62 HN ILE 62 -17.466 -8.327 -8.327 547 HA ILE 62 HA ILE 62 -18.968 -10.127 -10.127 548 HB ILE 62 HB ILE 62 -19.855 -7.361 -7.361 549 1HG1 ILE 62 HG12 ILE 62 -19.237 -8.185 -8.185 550 2HG1 ILE 62 HG11 ILE 62 -17.942 -7.636 -7.636 551 1HG2 ILE 62 HG22 ILE 62 -21.135 -9.615 -9.615 552 2HG2 ILE 62 HG21 ILE 62 -21.485 -7.973 -7.973 553 3HG2 ILE 62 HG23 ILE 62 -21.857 -8.454 -8.454 554 1HD1 ILE 62 HD12 ILE 62 -20.470 -6.087 -6.087 555 2HD1 ILE 62 HD11 ILE 62 -18.870 -5.753 -5.753 556 3HD1 ILE 62 HD13 ILE 62 -19.173 -5.541 -5.541 557 H VAL 63 HN VAL 63 -18.180 -11.004 -11.004 558 HA VAL 63 HA VAL 63 -20.771 -11.078 -11.078 559 HB VAL 63 HB VAL 63 -19.308 -9.442 -9.442 560 1HG1 VAL 63 HG11 VAL 63 -17.405 -11.796 -11.796 561 2HG1 VAL 63 HG13 VAL 63 -17.252 -10.397 -10.397 562 3HG1 VAL 63 HG12 VAL 63 -17.111 -10.198 -10.198 563 1HG2 VAL 63 HG23 VAL 63 -20.807 -11.330 -11.330 564 2HG2 VAL 63 HG22 VAL 63 -19.838 -10.211 -10.211 565 3HG2 VAL 63 HG21 VAL 63 -19.241 -11.838 -11.838 566 H THR 64 HN THR 64 -19.859 -13.035 -13.035 567 HA THR 64 HA THR 64 -18.773 -15.196 -15.196 568 HB THR 64 HB THR 64 -19.206 -15.537 -15.537 569 HG1 THR 64 HG1 THR 64 -17.117 -14.080 -14.080 570 1HG2 THR 64 HG21 THR 64 -18.385 -17.357 -17.357 571 2HG2 THR 64 HG23 THR 64 -16.933 -16.387 -16.387 572 3HG2 THR 64 HG22 THR 64 -17.316 -17.005 -17.005 573 H ASP 65 HN ASP 65 -21.566 -14.219 -14.219 574 HA ASP 65 HA ASP 65 -22.944 -16.748 -16.748 575 1HB ASP 65 HB2 ASP 65 -23.849 -13.879 -13.879 576 2HB ASP 65 HB1 ASP 65 -25.035 -15.176 -15.176 577 1H SER 1 HT1 SER 1 -11.703 -11.654 -11.654 578 2H SER 1 HT3 SER 1 -12.635 -12.723 -12.723 579 3H SER 1 HT2 SER 1 -10.941 -12.824 -12.824 580 HA SER 1 HA SER 1 -10.798 -13.989 -13.989 581 1HB SER 1 HB2 SER 1 -12.192 -15.567 -15.567 582 2HB SER 1 HB1 SER 1 -13.500 -14.427 -14.427 583 HG SER 1 HG SER 1 -12.700 -15.377 -15.377 584 HA PRO 2 HA PRO 2 -13.772 -12.067 -12.067 585 1HB PRO 2 HB2 PRO 2 -15.616 -10.203 -10.203 586 2HB PRO 2 HB1 PRO 2 -15.951 -11.942 -11.942 587 1HG PRO 2 HG2 PRO 2 -15.472 -10.228 -10.228 588 2HG PRO 2 HG1 PRO 2 -16.375 -11.747 -11.747 589 1HD PRO 2 HD2 PRO 2 -13.742 -11.452 -11.452 590 2HD PRO 2 HD1 PRO 2 -14.544 -12.979 -12.979 591 H LEU 3 HN LEU 3 -11.622 -11.046 -11.046 592 HA LEU 3 HA LEU 3 -11.763 -8.220 -8.220 593 1HB LEU 3 HB2 LEU 3 -10.340 -7.351 -7.351 594 2HB LEU 3 HB1 LEU 3 -11.559 -8.324 -8.324 595 HG LEU 3 HG LEU 3 -8.744 -9.256 -9.256 596 1HD1 LEU 3 HD13 LEU 3 -10.028 -8.230 -8.230 597 2HD1 LEU 3 HD12 LEU 3 -8.612 -9.280 -9.280 598 3HD1 LEU 3 HD11 LEU 3 -8.521 -7.711 -7.711 599 1HD2 LEU 3 HD23 LEU 3 -11.163 -10.584 -10.584 600 2HD2 LEU 3 HD22 LEU 3 -9.940 -11.242 -11.242 601 3HD2 LEU 3 HD21 LEU 3 -9.576 -11.037 -11.037 602 H LEU 4 HN LEU 4 -9.530 -7.344 -7.344 603 HA LEU 4 HA LEU 4 -7.788 -9.557 -9.557 604 1HB LEU 4 HB2 LEU 4 -9.377 -7.807 -7.807 605 2HB LEU 4 HB1 LEU 4 -7.701 -7.309 -7.309 606 HG LEU 4 HG LEU 4 -7.095 -9.684 -9.684 607 1HD1 LEU 4 HD12 LEU 4 -9.595 -10.222 -10.222 608 2HD1 LEU 4 HD11 LEU 4 -9.825 -10.561 -10.561 609 3HD1 LEU 4 HD13 LEU 4 -8.550 -11.384 -11.384 610 1HD2 LEU 4 HD22 LEU 4 -8.340 -7.829 -7.829 611 2HD2 LEU 4 HD21 LEU 4 -7.492 -9.280 -9.280 612 3HD2 LEU 4 HD23 LEU 4 -9.239 -9.315 -9.315 613 HA PRO 5 HA PRO 5 -4.814 -6.882 -6.882 614 1HB PRO 5 HB2 PRO 5 -2.573 -8.391 -8.391 615 2HB PRO 5 HB1 PRO 5 -3.758 -8.773 -8.773 616 1HG PRO 5 HG2 PRO 5 -3.313 -10.125 -10.125 617 2HG PRO 5 HG1 PRO 5 -4.025 -10.773 -10.773 618 1HD PRO 5 HD2 PRO 5 -5.451 -9.899 -9.899 619 2HD PRO 5 HD1 PRO 5 -6.149 -10.306 -10.306 620 H LYS 6 HN LYS 6 -2.317 -6.297 -6.297 621 HA LYS 6 HA LYS 6 -2.570 -4.924 -4.924 622 1HB LYS 6 HB2 LYS 6 -1.506 -4.175 -4.175 623 2HB LYS 6 HB1 LYS 6 -0.056 -4.680 -4.680 624 1HG LYS 6 HG2 LYS 6 -0.456 -3.123 -3.123 625 2HG LYS 6 HG1 LYS 6 -2.096 -2.799 -2.799 626 1HD LYS 6 HD2 LYS 6 -0.685 -0.949 -0.949 627 2HD LYS 6 HD1 LYS 6 -1.108 -1.881 -1.881 628 1HE LYS 6 HE2 LYS 6 1.355 -2.760 -2.760 629 2HE LYS 6 HE1 LYS 6 1.443 -1.171 -1.171 630 1HZ LYS 6 HZ1 LYS 6 0.310 -3.451 -3.451 631 2HZ LYS 6 HZ3 LYS 6 1.991 -3.264 -3.264 632 3HZ LYS 6 HZ2 LYS 6 1.043 -2.041 -2.041 633 H LEU 7 HN LEU 7 0.445 -4.969 -4.969 634 HA LEU 7 HA LEU 7 0.683 -7.780 -7.780 635 1HB LEU 7 HB2 LEU 7 1.749 -5.177 -5.177 636 2HB LEU 7 HB1 LEU 7 2.343 -6.748 -6.748 637 HG LEU 7 HG LEU 7 0.614 -5.998 -5.998 638 1HD1 LEU 7 HD12 LEU 7 0.702 -8.440 -8.440 639 2HD1 LEU 7 HD11 LEU 7 -0.654 -8.095 -8.095 640 3HD1 LEU 7 HD13 LEU 7 -0.839 -7.906 -7.906 641 1HD2 LEU 7 HD23 LEU 7 -0.468 -4.643 -4.643 642 2HD2 LEU 7 HD22 LEU 7 -1.417 -5.116 -5.116 643 3HD2 LEU 7 HD21 LEU 7 -1.502 -6.070 -6.070 644 HA PRO 8 HA PRO 8 4.016 -7.097 -7.097 645 1HB PRO 8 HB2 PRO 8 3.656 -9.460 -9.460 646 2HB PRO 8 HB1 PRO 8 2.774 -7.971 -7.971 647 1HG PRO 8 HG2 PRO 8 1.794 -10.421 -10.421 648 2HG PRO 8 HG1 PRO 8 0.883 -9.225 -9.225 649 1HD PRO 8 HD2 PRO 8 1.008 -9.371 -9.371 650 2HD PRO 8 HD1 PRO 8 0.377 -8.021 -8.021 651 HA PRO 9 HA PRO 9 6.836 -9.806 -9.806 652 1HB PRO 9 HB2 PRO 9 8.999 -9.634 -9.634 653 2HB PRO 9 HB1 PRO 9 8.529 -8.336 -8.336 654 1HG PRO 9 HG2 PRO 9 8.208 -8.473 -8.473 655 2HG PRO 9 HG1 PRO 9 8.319 -7.051 -7.051 656 1HD PRO 9 HD2 PRO 9 5.935 -8.132 -8.132 657 2HD PRO 9 HD1 PRO 9 6.039 -6.882 -6.882 658 H LYS 10 HN LYS 10 8.740 -11.517 -11.517 659 HA LYS 10 HA LYS 10 7.127 -13.283 -13.283 660 1HB LYS 10 HB2 LYS 10 8.579 -13.916 -13.916 661 2HB LYS 10 HB1 LYS 10 8.516 -15.143 -15.143 662 1HG LYS 10 HG2 LYS 10 5.965 -13.756 -13.756 663 2HG LYS 10 HG1 LYS 10 6.585 -14.908 -14.908 664 1HD LYS 10 HD2 LYS 10 6.823 -16.573 -16.573 665 2HD LYS 10 HD1 LYS 10 5.931 -15.433 -15.433 666 1HE LYS 10 HE2 LYS 10 4.254 -15.485 -15.485 667 2HE LYS 10 HE1 LYS 10 4.975 -17.080 -17.080 668 1HZ LYS 10 HZ2 LYS 10 4.068 -16.255 -16.255 669 2HZ LYS 10 HZ1 LYS 10 2.923 -16.785 -16.785 670 3HZ LYS 10 HZ3 LYS 10 4.184 -17.814 -17.814 671 H THR 11 HN THR 11 8.578 -11.855 -11.855 672 HA THR 11 HA THR 11 10.888 -13.511 -13.511 673 HB THR 11 HB THR 11 12.147 -11.138 -11.138 674 HG1 THR 11 HG1 THR 11 10.627 -10.942 -10.942 675 1HG2 THR 11 HG21 THR 11 12.948 -13.213 -13.213 676 2HG2 THR 11 HG23 THR 11 12.025 -12.748 -12.748 677 3HG2 THR 11 HG22 THR 11 13.368 -11.745 -11.745 678 H TYR 12 HN TYR 12 10.050 -10.126 -10.126 679 HA TYR 12 HA TYR 12 8.752 -10.851 -10.851 680 1HB TYR 12 HB2 TYR 12 11.640 -10.084 -10.084 681 2HB TYR 12 HB1 TYR 12 10.654 -9.410 -9.410 682 HD1 TYR 12 HD2 TYR 12 8.809 -11.423 -11.423 683 HD2 TYR 12 HD1 TYR 12 12.857 -11.921 -11.921 684 HE1 TYR 12 HE2 TYR 12 8.951 -13.577 -13.577 685 HE2 TYR 12 HE1 TYR 12 12.999 -14.075 -14.075 686 HH TYR 12 HH TYR 12 11.897 -15.180 -15.180 687 H LYS 13 HN LYS 13 8.862 -8.564 -8.564 688 HA LYS 13 HA LYS 13 7.761 -6.562 -6.562 689 1HB LYS 13 HB2 LYS 13 7.470 -7.044 -7.044 690 2HB LYS 13 HB1 LYS 13 7.068 -5.470 -5.470 691 1HG LYS 13 HG2 LYS 13 5.547 -6.611 -6.611 692 2HG LYS 13 HG1 LYS 13 5.884 -8.140 -8.140 693 1HD LYS 13 HD2 LYS 13 4.023 -7.564 -7.564 694 2HD LYS 13 HD1 LYS 13 5.203 -6.646 -6.646 695 1HE LYS 13 HE2 LYS 13 4.688 -4.619 -4.619 696 2HE LYS 13 HE1 LYS 13 3.759 -5.479 -5.479 697 1HZ LYS 13 HZ1 LYS 13 2.340 -6.233 -6.233 698 2HZ LYS 13 HZ3 LYS 13 3.053 -4.935 -4.935 699 3HZ LYS 13 HZ2 LYS 13 2.143 -4.647 -4.647 700 H ARG 14 HN ARG 14 9.660 -5.573 -5.573 701 HA ARG 14 HA ARG 14 11.857 -4.757 -4.757 702 1HB ARG 14 HB2 ARG 14 10.914 -3.924 -3.924 703 2HB ARG 14 HB1 ARG 14 12.329 -3.190 -3.190 704 1HG ARG 14 HG2 ARG 14 12.990 -5.733 -5.733 705 2HG ARG 14 HG1 ARG 14 11.943 -5.988 -5.988 706 1HD ARG 14 HD2 ARG 14 14.333 -4.127 -4.127 707 2HD ARG 14 HD1 ARG 14 14.247 -5.654 -5.654 708 HE ARG 14 HE ARG 14 12.369 -3.443 -3.443 709 1HH1 ARG 14 HH21 ARG 14 12.210 -5.799 -5.799 710 2HH1 ARG 14 HH22 ARG 14 13.316 -5.460 -5.460 711 1HH2 ARG 14 HH11 ARG 14 14.961 -2.937 -2.937 712 2HH2 ARG 14 HH12 ARG 14 14.874 -3.840 -3.840 713 H GLU 15 HN GLU 15 11.704 -3.252 -3.252 714 HA GLU 15 HA GLU 15 11.086 -1.305 -1.305 715 1HB GLU 15 HB2 GLU 15 10.967 -0.490 -0.490 716 2HB GLU 15 HB1 GLU 15 10.349 0.619 0.619 717 1HG GLU 15 HG2 GLU 15 12.559 1.278 1.278 718 2HG GLU 15 HG1 GLU 15 12.655 -0.011 -0.011 Start of MODEL 27 1 1H GLY -8 HT2 GLY -8 9.505 -5.983 -5.983 2 2H GLY -8 HT1 GLY -8 10.867 -6.357 -6.357 3 3H GLY -8 HT3 GLY -8 10.825 -6.793 -6.793 4 1HA GLY -8 HA1 GLY -8 11.407 -4.697 -4.697 5 2HA GLY -8 HA2 GLY -8 12.146 -4.562 -4.562 6 H SER -7 HN SER -7 9.029 -4.734 -4.734 7 HA SER -7 HA SER -7 7.480 -3.108 -3.108 8 1HB SER -7 HB2 SER -7 9.688 -2.172 -2.172 9 2HB SER -7 HB1 SER -7 9.654 -1.046 -1.046 10 HG SER -7 HG SER -7 8.225 -1.035 -1.035 11 H ARG -6 HN ARG -6 6.077 -3.096 -3.096 12 HA ARG -6 HA ARG -6 6.649 -1.933 -1.933 13 1HB ARG -6 HB2 ARG -6 4.519 -3.348 -3.348 14 2HB ARG -6 HB1 ARG -6 3.819 -1.797 -1.797 15 1HG ARG -6 HG2 ARG -6 3.681 -2.566 -2.566 16 2HG ARG -6 HG1 ARG -6 5.442 -2.533 -2.533 17 1HD ARG -6 HD2 ARG -6 3.693 -4.860 -4.860 18 2HD ARG -6 HD1 ARG -6 4.725 -4.768 -4.768 19 HE ARG -6 HE ARG -6 6.369 -4.358 -4.358 20 1HH1 ARG -6 HH21 ARG -6 6.523 -6.486 -6.486 21 2HH1 ARG -6 HH22 ARG -6 6.510 -7.934 -7.934 22 1HH2 ARG -6 HH11 ARG -6 5.428 -6.349 -6.349 23 2HH2 ARG -6 HH12 ARG -6 5.890 -7.858 -7.858 24 H ARG -5 HN ARG -5 5.367 0.021 0.021 25 HA ARG -5 HA ARG -5 5.766 2.269 2.269 26 1HB ARG -5 HB2 ARG -5 6.459 2.077 2.077 27 2HB ARG -5 HB1 ARG -5 4.831 2.721 2.721 28 1HG ARG -5 HG2 ARG -5 6.587 4.010 4.010 29 2HG ARG -5 HG1 ARG -5 6.918 4.343 4.343 30 1HD ARG -5 HD2 ARG -5 5.349 5.982 5.982 31 2HD ARG -5 HD1 ARG -5 4.233 4.656 4.656 32 HE ARG -5 HE ARG -5 4.655 4.519 4.519 33 1HH1 ARG -5 HH21 ARG -5 5.072 7.361 7.361 34 2HH1 ARG -5 HH22 ARG -5 3.474 8.027 8.027 35 1HH2 ARG -5 HH11 ARG -5 1.975 5.188 5.188 36 2HH2 ARG -5 HH12 ARG -5 1.720 6.798 6.798 37 H ALA -4 HN ALA -4 3.876 1.788 1.788 38 HA ALA -4 HA ALA -4 1.357 2.780 2.780 39 1HB ALA -4 HB1 ALA -4 1.520 0.194 0.194 40 2HB ALA -4 HB3 ALA -4 1.296 0.580 0.580 41 3HB ALA -4 HB2 ALA -4 0.061 1.031 1.031 42 H SER -3 HN SER -3 3.034 2.011 2.011 43 HA SER -3 HA SER -3 3.021 3.123 3.123 44 1HB SER -3 HB2 SER -3 2.526 5.271 5.271 45 2HB SER -3 HB1 SER -3 2.199 5.663 5.663 46 HG SER -3 HG SER -3 4.336 4.885 4.885 47 H VAL -2 HN VAL -2 0.555 1.764 1.764 48 HA VAL -2 HA VAL -2 -1.263 2.663 2.663 49 HB VAL -2 HB VAL -2 -1.793 4.301 4.301 50 1HG1 VAL -2 HG13 VAL -2 -1.104 2.448 2.448 51 2HG1 VAL -2 HG12 VAL -2 -2.839 2.130 2.130 52 3HG1 VAL -2 HG11 VAL -2 -2.240 3.735 3.735 53 1HG2 VAL -2 HG22 VAL -2 -3.613 3.399 3.399 54 2HG2 VAL -2 HG21 VAL -2 -4.198 3.880 3.880 55 3HG2 VAL -2 HG23 VAL -2 -3.949 2.174 2.174 56 H GLY -1 HN GLY -1 -1.807 0.702 0.702 57 1HA GLY -1 HA2 GLY -1 -3.421 -1.211 -1.211 58 2HA GLY -1 HA1 GLY -1 -1.805 -1.710 -1.710 59 H SER 0 HN SER 0 -3.641 -0.772 -0.772 60 HA SER 0 HA SER 0 -1.811 -2.474 -2.474 61 1HB SER 0 HB2 SER 0 -3.767 -0.286 -0.286 62 2HB SER 0 HB1 SER 0 -3.076 -1.354 -1.354 63 HG SER 0 HG SER 0 -2.007 0.809 0.809 64 H MET 1 HN MET 1 -3.100 -3.489 -3.489 65 HA MET 1 HA MET 1 -5.585 -4.756 -4.756 66 1HB MET 1 HB2 MET 1 -3.133 -5.987 -5.987 67 2HB MET 1 HB1 MET 1 -4.690 -6.714 -6.714 68 1HG MET 1 HG2 MET 1 -5.118 -7.362 -7.362 69 2HG MET 1 HG1 MET 1 -4.194 -6.035 -6.035 70 1HE MET 1 HE1 MET 1 -3.551 -7.353 -7.353 71 2HE MET 1 HE3 MET 1 -1.807 -7.097 -7.097 72 3HE MET 1 HE2 MET 1 -2.450 -8.728 -8.728 73 H GLU 2 HN GLU 2 -6.427 -6.117 -6.117 74 HA GLU 2 HA GLU 2 -6.654 -4.007 -4.007 75 1HB GLU 2 HB2 GLU 2 -8.629 -5.211 -5.211 76 2HB GLU 2 HB1 GLU 2 -8.784 -5.982 -5.982 77 1HG GLU 2 HG2 GLU 2 -9.352 -3.999 -3.999 78 2HG GLU 2 HG1 GLU 2 -8.469 -3.013 -3.013 79 H ALA 3 HN ALA 3 -7.489 -5.278 -5.278 80 HA ALA 3 HA ALA 3 -6.319 -7.921 -7.921 81 1HB ALA 3 HB1 ALA 3 -5.154 -5.480 -5.480 82 2HB ALA 3 HB3 ALA 3 -4.864 -7.108 -7.108 83 3HB ALA 3 HB2 ALA 3 -4.350 -6.665 -6.665 84 H ILE 4 HN ILE 4 -7.759 -8.942 -8.942 85 HA ILE 4 HA ILE 4 -9.907 -7.763 -7.763 86 HB ILE 4 HB ILE 4 -10.039 -9.964 -9.964 87 1HG1 ILE 4 HG12 ILE 4 -10.274 -10.788 -10.788 88 2HG1 ILE 4 HG11 ILE 4 -10.996 -9.210 -9.210 89 1HG2 ILE 4 HG23 ILE 4 -7.542 -10.384 -10.384 90 2HG2 ILE 4 HG22 ILE 4 -8.435 -11.211 -11.211 91 3HG2 ILE 4 HG21 ILE 4 -8.649 -11.692 -11.692 92 1HD1 ILE 4 HD13 ILE 4 -11.504 -11.495 -11.495 93 2HD1 ILE 4 HD12 ILE 4 -12.426 -11.332 -11.332 94 3HD1 ILE 4 HD11 ILE 4 -12.473 -10.051 -10.051 95 H ALA 5 HN ALA 5 -9.997 -6.861 -6.861 96 HA ALA 5 HA ALA 5 -7.805 -7.095 -7.095 97 1HB ALA 5 HB2 ALA 5 -10.484 -5.699 -5.699 98 2HB ALA 5 HB1 ALA 5 -9.653 -5.916 -5.916 99 3HB ALA 5 HB3 ALA 5 -8.880 -5.006 -5.006 100 H LYS 6 HN LYS 6 -7.701 -9.212 -9.212 101 HA LYS 6 HA LYS 6 -9.836 -11.027 -11.027 102 1HB LYS 6 HB2 LYS 6 -7.253 -10.916 -10.916 103 2HB LYS 6 HB1 LYS 6 -8.311 -12.319 -12.319 104 1HG LYS 6 HG2 LYS 6 -7.838 -12.575 -12.575 105 2HG LYS 6 HG1 LYS 6 -7.189 -10.944 -10.944 106 1HD LYS 6 HD2 LYS 6 -5.288 -12.342 -12.342 107 2HD LYS 6 HD1 LYS 6 -5.371 -11.707 -11.707 108 1HE LYS 6 HE2 LYS 6 -6.800 -14.268 -14.268 109 2HE LYS 6 HE1 LYS 6 -5.049 -14.309 -14.309 110 1HZ LYS 6 HZ2 LYS 6 -5.664 -12.890 -12.890 111 2HZ LYS 6 HZ1 LYS 6 -7.128 -13.736 -13.736 112 3HZ LYS 6 HZ3 LYS 6 -5.675 -14.589 -14.589 113 H TYR 7 HN TYR 7 -8.753 -8.458 -8.458 114 HA TYR 7 HA TYR 7 -11.073 -9.061 -9.061 115 1HB TYR 7 HB2 TYR 7 -8.392 -8.446 -8.446 116 2HB TYR 7 HB1 TYR 7 -9.839 -9.031 -9.031 117 HD1 TYR 7 HD1 TYR 7 -10.730 -11.370 -11.370 118 HD2 TYR 7 HD2 TYR 7 -6.726 -9.934 -9.934 119 HE1 TYR 7 HE1 TYR 7 -9.938 -13.701 -13.701 120 HE2 TYR 7 HE2 TYR 7 -5.929 -12.255 -12.255 121 HH TYR 7 HH TYR 7 -8.072 -14.886 -14.886 122 H ASP 8 HN ASP 8 -10.852 -7.228 -7.228 123 HA ASP 8 HA ASP 8 -11.015 -4.731 -4.731 124 1HB ASP 8 HB2 ASP 8 -12.428 -3.952 -3.952 125 2HB ASP 8 HB1 ASP 8 -12.910 -5.626 -5.626 126 H PHE 9 HN PHE 9 -10.224 -2.717 -2.717 127 HA PHE 9 HA PHE 9 -8.348 -2.621 -2.621 128 1HB PHE 9 HB2 PHE 9 -7.239 -4.011 -4.011 129 2HB PHE 9 HB1 PHE 9 -6.503 -2.413 -2.413 130 HD1 PHE 9 HD1 PHE 9 -7.658 -4.475 -4.475 131 HD2 PHE 9 HD2 PHE 9 -4.329 -2.699 -2.699 132 HE1 PHE 9 HE1 PHE 9 -6.152 -5.138 -5.138 133 HE2 PHE 9 HE2 PHE 9 -2.827 -3.359 -3.359 134 HZ PHE 9 HZ PHE 9 -3.738 -4.578 -4.578 135 H LYS 10 HN LYS 10 -6.704 -0.664 -0.664 136 HA LYS 10 HA LYS 10 -7.972 1.353 1.353 137 1HB LYS 10 HB2 LYS 10 -8.159 2.992 2.992 138 2HB LYS 10 HB1 LYS 10 -9.006 1.535 1.535 139 1HG LYS 10 HG2 LYS 10 -6.322 1.204 1.204 140 2HG LYS 10 HG1 LYS 10 -6.761 2.860 2.860 141 1HD LYS 10 HD2 LYS 10 -8.450 0.440 0.440 142 2HD LYS 10 HD1 LYS 10 -7.307 1.195 1.195 143 1HE LYS 10 HE2 LYS 10 -8.544 3.369 3.369 144 2HE LYS 10 HE1 LYS 10 -9.760 2.467 2.467 145 1HZ LYS 10 HZ1 LYS 10 -8.953 1.927 1.927 146 2HZ LYS 10 HZ3 LYS 10 -10.371 2.723 2.723 147 3HZ LYS 10 HZ2 LYS 10 -10.144 1.086 1.086 148 H ALA 11 HN ALA 11 -6.649 3.490 3.490 149 HA ALA 11 HA ALA 11 -3.955 2.743 2.743 150 1HB ALA 11 HB3 ALA 11 -5.393 4.585 4.585 151 2HB ALA 11 HB2 ALA 11 -4.961 5.561 5.561 152 3HB ALA 11 HB1 ALA 11 -3.697 4.971 4.971 153 H THR 12 HN THR 12 -2.143 2.958 2.958 154 HA THR 12 HA THR 12 -2.624 4.194 4.194 155 HB THR 12 HB THR 12 -0.683 2.671 2.671 156 HG1 THR 12 HG1 THR 12 -0.484 0.828 0.828 157 1HG2 THR 12 HG22 THR 12 -3.072 2.257 2.257 158 2HG2 THR 12 HG21 THR 12 -3.239 1.356 1.356 159 3HG2 THR 12 HG23 THR 12 -2.172 0.758 0.758 160 H ALA 13 HN ALA 13 -1.855 5.779 5.779 161 HA ALA 13 HA ALA 13 0.398 7.186 7.186 162 1HB ALA 13 HB2 ALA 13 0.977 5.174 5.174 163 2HB ALA 13 HB1 ALA 13 1.903 6.676 6.676 164 3HB ALA 13 HB3 ALA 13 1.914 5.538 5.538 165 H ASP 14 HN ASP 14 1.276 8.694 8.694 166 HA ASP 14 HA ASP 14 -1.015 9.988 9.988 167 1HB ASP 14 HB2 ASP 14 1.055 10.968 10.968 168 2HB ASP 14 HB1 ASP 14 1.844 10.764 10.764 169 H ASP 15 HN ASP 15 0.874 7.451 7.451 170 HA ASP 15 HA ASP 15 0.286 8.052 8.052 171 1HB ASP 15 HB2 ASP 15 2.930 7.546 7.546 172 2HB ASP 15 HB1 ASP 15 2.592 6.664 6.664 173 H GLU 16 HN GLU 16 -0.929 6.316 6.316 174 HA GLU 16 HA GLU 16 -0.467 3.647 3.647 175 1HB GLU 16 HB2 GLU 16 -0.194 4.028 4.028 176 2HB GLU 16 HB1 GLU 16 -1.949 4.165 4.165 177 1HG GLU 16 HG2 GLU 16 -2.272 1.950 1.950 178 2HG GLU 16 HG1 GLU 16 -0.878 1.847 1.847 179 H LEU 17 HN LEU 17 -2.625 2.313 2.313 180 HA LEU 17 HA LEU 17 -4.814 4.145 4.145 181 1HB LEU 17 HB2 LEU 17 -3.678 3.065 3.065 182 2HB LEU 17 HB1 LEU 17 -4.074 1.491 1.491 183 HG LEU 17 HG LEU 17 -6.481 2.021 2.021 184 1HD1 LEU 17 HD11 LEU 17 -5.407 4.690 4.690 185 2HD1 LEU 17 HD13 LEU 17 -6.639 4.186 4.186 186 3HD1 LEU 17 HD12 LEU 17 -7.006 4.226 4.226 187 1HD2 LEU 17 HD21 LEU 17 -5.233 0.940 0.940 188 2HD2 LEU 17 HD23 LEU 17 -6.653 1.847 1.847 189 3HD2 LEU 17 HD22 LEU 17 -5.045 2.536 2.536 190 H SER 18 HN SER 18 -6.883 3.635 3.635 191 HA SER 18 HA SER 18 -7.235 1.522 1.522 192 1HB SER 18 HB2 SER 18 -9.245 3.524 3.524 193 2HB SER 18 HB1 SER 18 -8.945 2.782 2.782 194 HG SER 18 HG SER 18 -8.229 5.002 5.002 195 H PHE 19 HN PHE 19 -9.192 0.185 0.185 196 HA PHE 19 HA PHE 19 -10.905 0.185 0.185 197 1HB PHE 19 HB2 PHE 19 -10.037 -1.793 -1.793 198 2HB PHE 19 HB1 PHE 19 -8.848 -0.492 -0.492 199 HD1 PHE 19 HD1 PHE 19 -9.806 -3.677 -3.677 200 HD2 PHE 19 HD2 PHE 19 -6.712 -0.766 -0.766 201 HE1 PHE 19 HE1 PHE 19 -8.159 -5.185 -5.185 202 HE2 PHE 19 HE2 PHE 19 -5.068 -2.271 -2.271 203 HZ PHE 19 HZ PHE 19 -5.792 -4.481 -4.481 204 H LYS 20 HN LYS 20 -12.243 -1.884 -1.884 205 HA LYS 20 HA LYS 20 -12.371 -2.990 -2.990 206 1HB LYS 20 HB2 LYS 20 -14.556 -2.754 -2.754 207 2HB LYS 20 HB1 LYS 20 -14.754 -3.375 -3.375 208 1HG LYS 20 HG2 LYS 20 -13.530 -0.682 -0.682 209 2HG LYS 20 HG1 LYS 20 -15.275 -0.847 -0.847 210 1HD LYS 20 HD2 LYS 20 -15.509 -1.724 -1.724 211 2HD LYS 20 HD1 LYS 20 -13.763 -1.896 -1.896 212 1HE LYS 20 HE2 LYS 20 -13.440 0.348 0.348 213 2HE LYS 20 HE1 LYS 20 -14.792 0.825 0.825 214 1HZ LYS 20 HZ2 LYS 20 -15.295 -0.633 -0.633 215 2HZ LYS 20 HZ1 LYS 20 -14.998 1.040 1.040 216 3HZ LYS 20 HZ3 LYS 20 -16.312 0.436 0.436 217 H ARG 21 HN ARG 21 -13.637 -5.172 -5.172 218 HA ARG 21 HA ARG 21 -11.997 -7.026 -7.026 219 1HB ARG 21 HB2 ARG 21 -12.631 -7.663 -7.663 220 2HB ARG 21 HB1 ARG 21 -14.331 -7.374 -7.374 221 1HG ARG 21 HG2 ARG 21 -13.321 -9.265 -9.265 222 2HG ARG 21 HG1 ARG 21 -12.866 -9.806 -9.806 223 1HD ARG 21 HD2 ARG 21 -15.399 -9.045 -9.045 224 2HD ARG 21 HD1 ARG 21 -15.570 -9.506 -9.506 225 HE ARG 21 HE ARG 21 -15.105 -11.772 -11.772 226 1HH1 ARG 21 HH11 ARG 21 -12.837 -11.569 -11.569 227 2HH1 ARG 21 HH12 ARG 21 -13.514 -11.902 -11.902 228 1HH2 ARG 21 HH21 ARG 21 -16.784 -11.333 -11.333 229 2HH2 ARG 21 HH22 ARG 21 -15.749 -11.769 -11.769 230 H GLY 22 HN GLY 22 -12.426 -7.095 -7.095 231 1HA GLY 22 HA2 GLY 22 -13.905 -8.185 -8.185 232 2HA GLY 22 HA1 GLY 22 -15.270 -7.436 -7.436 233 H ASP 23 HN ASP 23 -12.927 -5.111 -5.111 234 HA ASP 23 HA ASP 23 -14.035 -3.702 -3.702 235 1HB ASP 23 HB2 ASP 23 -12.685 -3.092 -3.092 236 2HB ASP 23 HB1 ASP 23 -12.216 -2.070 -2.070 237 H ILE 24 HN ILE 24 -12.989 -4.753 -4.753 238 HA ILE 24 HA ILE 24 -10.172 -5.302 -5.302 239 HB ILE 24 HB ILE 24 -11.746 -4.894 -4.894 240 1HG1 ILE 24 HG12 ILE 24 -11.951 -7.110 -7.110 241 2HG1 ILE 24 HG11 ILE 24 -13.259 -6.271 -6.271 242 1HG2 ILE 24 HG23 ILE 24 -9.161 -5.493 -5.493 243 2HG2 ILE 24 HG22 ILE 24 -9.824 -7.113 -7.113 244 3HG2 ILE 24 HG21 ILE 24 -10.066 -6.190 -6.190 245 1HD1 ILE 24 HD11 ILE 24 -12.127 -7.362 -7.362 246 2HD1 ILE 24 HD13 ILE 24 -11.536 -8.518 -8.518 247 3HD1 ILE 24 HD12 ILE 24 -13.271 -8.273 -8.273 248 H LEU 25 HN LEU 25 -8.526 -4.006 -4.006 249 HA LEU 25 HA LEU 25 -8.995 -1.150 -1.150 250 1HB LEU 25 HB2 LEU 25 -6.431 -2.548 -2.548 251 2HB LEU 25 HB1 LEU 25 -6.769 -0.817 -0.817 252 HG LEU 25 HG LEU 25 -8.847 -1.714 -1.714 253 1HD1 LEU 25 HD13 LEU 25 -7.203 -4.030 -4.030 254 2HD1 LEU 25 HD12 LEU 25 -7.055 -3.491 -3.491 255 3HD1 LEU 25 HD11 LEU 25 -8.648 -3.849 -3.849 256 1HD2 LEU 25 HD21 LEU 25 -6.007 -1.187 -1.187 257 2HD2 LEU 25 HD23 LEU 25 -7.337 -0.035 -0.035 258 3HD2 LEU 25 HD22 LEU 25 -7.361 -1.317 -1.317 259 H LYS 26 HN LYS 26 -7.234 -0.035 -0.035 260 HA LYS 26 HA LYS 26 -6.819 -1.807 -1.807 261 1HB LYS 26 HB2 LYS 26 -7.324 1.127 1.127 262 2HB LYS 26 HB1 LYS 26 -6.382 0.597 0.597 263 1HG LYS 26 HG2 LYS 26 -8.207 -0.994 -0.994 264 2HG LYS 26 HG1 LYS 26 -9.161 -0.352 -0.352 265 1HD LYS 26 HD2 LYS 26 -9.458 1.724 1.724 266 2HD LYS 26 HD1 LYS 26 -8.039 1.525 1.525 267 1HE LYS 26 HE2 LYS 26 -9.272 -0.384 -0.384 268 2HE LYS 26 HE1 LYS 26 -10.713 0.132 0.132 269 1HZ LYS 26 HZ2 LYS 26 -10.479 2.330 2.330 270 2HZ LYS 26 HZ1 LYS 26 -9.111 1.811 1.811 271 3HZ LYS 26 HZ3 LYS 26 -10.630 1.135 1.135 272 H VAL 27 HN VAL 27 -4.760 -2.658 -2.658 273 HA VAL 27 HA VAL 27 -2.639 -1.600 -1.600 274 HB VAL 27 HB VAL 27 -2.328 -3.191 -3.191 275 1HG1 VAL 27 HG13 VAL 27 -0.289 -2.096 -2.096 276 2HG1 VAL 27 HG12 VAL 27 -0.584 -3.137 -3.137 277 3HG1 VAL 27 HG11 VAL 27 -0.207 -3.851 -3.851 278 1HG2 VAL 27 HG22 VAL 27 -3.797 -3.913 -3.913 279 2HG2 VAL 27 HG21 VAL 27 -3.085 -5.036 -5.036 280 3HG2 VAL 27 HG23 VAL 27 -2.212 -4.617 -4.617 281 H LEU 28 HN LEU 28 -1.591 0.196 0.196 282 HA LEU 28 HA LEU 28 -1.471 1.764 1.764 283 1HB LEU 28 HB2 LEU 28 -1.505 2.313 2.313 284 2HB LEU 28 HB1 LEU 28 -0.093 3.069 3.069 285 HG LEU 28 HG LEU 28 -1.483 4.248 4.248 286 1HD1 LEU 28 HD11 LEU 28 -3.674 2.519 2.519 287 2HD1 LEU 28 HD13 LEU 28 -4.043 4.030 4.030 288 3HD1 LEU 28 HD12 LEU 28 -3.224 2.724 2.724 289 1HD2 LEU 28 HD21 LEU 28 -2.039 4.396 4.396 290 2HD2 LEU 28 HD23 LEU 28 -1.455 5.647 5.647 291 3HD2 LEU 28 HD22 LEU 28 -3.171 5.257 5.257 292 H ASN 29 HN ASN 29 0.545 0.024 0.024 293 HA ASN 29 HA ASN 29 2.797 0.201 0.201 294 1HB ASN 29 HB2 ASN 29 2.953 1.873 1.873 295 2HB ASN 29 HB1 ASN 29 3.390 0.431 0.431 296 1HD2 ASN 29 HD22 ASN 29 6.622 0.198 0.198 297 2HD2 ASN 29 HD21 ASN 29 5.484 -0.466 -0.466 298 H GLU 30 HN GLU 30 3.558 -1.763 -1.763 299 HA GLU 30 HA GLU 30 2.989 -3.981 -3.981 300 1HB GLU 30 HB2 GLU 30 2.353 -3.751 -3.751 301 2HB GLU 30 HB1 GLU 30 3.846 -4.688 -4.688 302 1HG GLU 30 HG2 GLU 30 2.691 -6.058 -6.058 303 2HG GLU 30 HG1 GLU 30 1.210 -5.381 -5.381 304 H GLU 31 HN GLU 31 4.760 -5.791 -5.791 305 HA GLU 31 HA GLU 31 7.062 -6.359 -6.359 306 1HB GLU 31 HB2 GLU 31 7.835 -3.663 -3.663 307 2HB GLU 31 HB1 GLU 31 8.880 -4.814 -4.814 308 1HG GLU 31 HG2 GLU 31 6.897 -4.426 -4.426 309 2HG GLU 31 HG1 GLU 31 7.020 -2.828 -2.828 310 H CYS 32 HN CYS 32 8.955 -6.639 -6.639 311 HA CYS 32 HA CYS 32 7.949 -8.000 -8.000 312 1HB CYS 32 HB2 CYS 32 10.710 -6.828 -6.828 313 2HB CYS 32 HB1 CYS 32 10.286 -8.037 -8.037 314 HG CYS 32 HG CYS 32 11.171 -9.261 -9.261 315 H ASP 33 HN ASP 33 8.224 -7.526 -7.526 316 HA ASP 33 HA ASP 33 8.855 -5.010 -5.010 317 1HB ASP 33 HB2 ASP 33 6.552 -4.680 -4.680 318 2HB ASP 33 HB1 ASP 33 5.950 -5.643 -5.643 319 H GLN 34 HN GLN 34 8.199 -4.922 -4.922 320 HA GLN 34 HA GLN 34 8.934 -7.338 -7.338 321 1HB GLN 34 HB2 GLN 34 7.864 -4.756 -4.756 322 2HB GLN 34 HB1 GLN 34 7.820 -6.127 -6.127 323 1HG GLN 34 HG2 GLN 34 10.341 -6.404 -6.404 324 2HG GLN 34 HG1 GLN 34 10.169 -4.668 -4.668 325 1HE2 GLN 34 HE22 GLN 34 9.317 -4.248 -4.248 326 2HE2 GLN 34 HE21 GLN 34 8.508 -3.943 -3.943 327 H ASN 35 HN ASN 35 5.886 -5.731 -5.731 328 HA ASN 35 HA ASN 35 4.320 -8.118 -8.118 329 1HB ASN 35 HB2 ASN 35 4.759 -7.196 -7.196 330 2HB ASN 35 HB1 ASN 35 3.156 -7.748 -7.748 331 1HD2 ASN 35 HD22 ASN 35 4.472 -11.082 -11.082 332 2HD2 ASN 35 HD21 ASN 35 3.536 -9.877 -9.877 333 H TRP 36 HN TRP 36 4.564 -5.140 -5.140 334 HA TRP 36 HA TRP 36 1.655 -4.618 -4.618 335 1HB TRP 36 HB2 TRP 36 3.526 -2.363 -2.363 336 2HB TRP 36 HB1 TRP 36 1.768 -2.370 -2.370 337 HD1 TRP 36 HD1 TRP 36 4.550 -4.565 -4.565 338 HE1 TRP 36 HE1 TRP 36 4.024 -4.708 -4.708 339 HE3 TRP 36 HE3 TRP 36 0.218 -1.746 -1.746 340 HZ2 TRP 36 HZ2 TRP 36 2.143 -3.760 -3.760 341 HZ3 TRP 36 HZ3 TRP 36 -0.847 -1.374 -1.374 342 HH2 TRP 36 HH2 TRP 36 0.093 -2.381 -2.381 343 H TYR 37 HN TYR 37 0.983 -3.634 -3.634 344 HA TYR 37 HA TYR 37 3.072 -2.848 -2.848 345 1HB TYR 37 HB2 TYR 37 0.117 -3.301 -3.301 346 2HB TYR 37 HB1 TYR 37 1.423 -3.257 -3.257 347 HD1 TYR 37 HD2 TYR 37 3.425 -5.092 -5.092 348 HD2 TYR 37 HD1 TYR 37 -0.860 -5.346 -5.346 349 HE1 TYR 37 HE2 TYR 37 3.567 -7.569 -7.569 350 HE2 TYR 37 HE1 TYR 37 -0.740 -7.809 -7.809 351 HH TYR 37 HH TYR 37 1.894 -9.524 -9.524 352 H LYS 38 HN LYS 38 1.181 -1.310 -1.310 353 HA LYS 38 HA LYS 38 0.401 0.941 0.941 354 1HB LYS 38 HB2 LYS 38 1.406 1.045 1.045 355 2HB LYS 38 HB1 LYS 38 0.680 2.402 2.402 356 1HG LYS 38 HG2 LYS 38 2.465 2.087 2.087 357 2HG LYS 38 HG1 LYS 38 3.275 1.019 1.019 358 1HD LYS 38 HD2 LYS 38 3.933 2.746 2.746 359 2HD LYS 38 HD1 LYS 38 2.343 3.522 3.522 360 1HE LYS 38 HE2 LYS 38 2.947 4.236 4.236 361 2HE LYS 38 HE1 LYS 38 4.594 3.699 3.699 362 1HZ LYS 38 HZ2 LYS 38 3.130 5.644 5.644 363 2HZ LYS 38 HZ1 LYS 38 4.175 6.100 6.100 364 3HZ LYS 38 HZ3 LYS 38 4.779 5.247 5.247 365 H ALA 39 HN ALA 39 -1.509 2.150 2.150 366 HA ALA 39 HA ALA 39 -3.004 1.020 1.020 367 1HB ALA 39 HB3 ALA 39 -3.656 -0.267 -0.267 368 2HB ALA 39 HB2 ALA 39 -4.820 -0.226 -0.226 369 3HB ALA 39 HB1 ALA 39 -3.281 -1.065 -1.065 370 H GLU 40 HN GLU 40 -5.469 1.284 1.284 371 HA GLU 40 HA GLU 40 -6.026 3.618 3.618 372 1HB GLU 40 HB2 GLU 40 -5.681 5.154 5.154 373 2HB GLU 40 HB1 GLU 40 -4.931 3.901 3.901 374 1HG GLU 40 HG2 GLU 40 -7.067 3.475 3.475 375 2HG GLU 40 HG1 GLU 40 -7.895 4.605 4.605 376 H LEU 41 HN LEU 41 -7.974 3.701 3.701 377 HA LEU 41 HA LEU 41 -9.980 1.904 1.904 378 1HB LEU 41 HB2 LEU 41 -9.558 2.929 2.929 379 2HB LEU 41 HB1 LEU 41 -11.225 2.628 2.628 380 HG LEU 41 HG LEU 41 -9.094 0.617 0.617 381 1HD1 LEU 41 HD11 LEU 41 -10.656 1.012 1.012 382 2HD1 LEU 41 HD13 LEU 41 -9.791 -0.470 -0.470 383 3HD1 LEU 41 HD12 LEU 41 -8.903 1.038 1.038 384 1HD2 LEU 41 HD22 LEU 41 -11.446 0.624 0.624 385 2HD2 LEU 41 HD21 LEU 41 -10.958 -0.861 -0.861 386 3HD2 LEU 41 HD23 LEU 41 -12.028 0.289 0.289 387 H ASN 42 HN ASN 42 -10.743 2.937 2.937 388 HA ASN 42 HA ASN 42 -11.913 4.555 4.555 389 1HB ASN 42 HB2 ASN 42 -13.309 3.987 3.987 390 2HB ASN 42 HB1 ASN 42 -13.930 5.319 5.319 391 1HD2 ASN 42 HD22 ASN 42 -15.677 2.997 2.997 392 2HD2 ASN 42 HD21 ASN 42 -15.709 4.451 4.451 393 H GLY 43 HN GLY 43 -9.764 5.812 5.812 394 1HA GLY 43 HA2 GLY 43 -9.775 8.431 8.431 395 2HA GLY 43 HA1 GLY 43 -10.978 8.419 8.419 396 H LYS 44 HN LYS 44 -9.710 6.444 6.444 397 HA LYS 44 HA LYS 44 -7.630 8.069 8.069 398 1HB LYS 44 HB2 LYS 44 -9.258 5.725 5.725 399 2HB LYS 44 HB1 LYS 44 -7.674 5.994 5.994 400 1HG LYS 44 HG2 LYS 44 -8.258 8.020 8.020 401 2HG LYS 44 HG1 LYS 44 -9.528 8.313 8.313 402 1HD LYS 44 HD2 LYS 44 -10.550 7.790 7.790 403 2HD LYS 44 HD1 LYS 44 -10.871 6.478 6.478 404 1HE LYS 44 HE2 LYS 44 -8.611 5.512 5.512 405 2HE LYS 44 HE1 LYS 44 -9.042 6.531 6.531 406 1HZ LYS 44 HZ1 LYS 44 -11.210 4.920 4.920 407 2HZ LYS 44 HZ3 LYS 44 -9.951 4.041 4.041 408 3HZ LYS 44 HZ2 LYS 44 -10.776 5.227 5.227 409 H ASP 45 HN ASP 45 -5.726 6.763 6.763 410 HA ASP 45 HA ASP 45 -4.967 4.516 4.516 411 1HB ASP 45 HB2 ASP 45 -3.787 5.397 5.397 412 2HB ASP 45 HB1 ASP 45 -4.900 6.726 6.726 413 H GLY 46 HN GLY 46 -2.393 4.311 4.311 414 1HA GLY 46 HA2 GLY 46 -0.487 5.110 5.110 415 2HA GLY 46 HA1 GLY 46 -1.608 4.887 4.887 416 H PHE 47 HN PHE 47 0.200 3.448 3.448 417 HA PHE 47 HA PHE 47 0.655 0.969 0.969 418 1HB PHE 47 HB2 PHE 47 1.449 1.939 1.939 419 2HB PHE 47 HB1 PHE 47 1.905 0.356 0.356 420 HD1 PHE 47 HD2 PHE 47 3.209 0.250 0.250 421 HD2 PHE 47 HD1 PHE 47 2.675 3.871 3.871 422 HE1 PHE 47 HE2 PHE 47 5.132 1.271 1.271 423 HE2 PHE 47 HE1 PHE 47 4.600 4.892 4.892 424 HZ PHE 47 HZ PHE 47 5.828 3.593 3.593 425 H ILE 48 HN ILE 48 -0.198 -1.110 -1.110 426 HA ILE 48 HA ILE 48 -2.182 -1.196 -1.196 427 HB ILE 48 HB ILE 48 -3.521 -2.764 -2.764 428 1HG1 ILE 48 HG12 ILE 48 -1.670 -1.751 -1.751 429 2HG1 ILE 48 HG11 ILE 48 -1.617 -3.376 -3.376 430 1HG2 ILE 48 HG22 ILE 48 -3.025 0.117 0.117 431 2HG2 ILE 48 HG21 ILE 48 -4.061 -0.785 -0.785 432 3HG2 ILE 48 HG23 ILE 48 -4.486 -0.664 -0.664 433 1HD1 ILE 48 HD13 ILE 48 -4.295 -2.497 -2.497 434 2HD1 ILE 48 HD12 ILE 48 -3.111 -2.692 -2.692 435 3HD1 ILE 48 HD11 ILE 48 -3.485 -4.047 -4.047 436 HA PRO 49 HA PRO 49 0.458 -4.630 -4.630 437 1HB PRO 49 HB2 PRO 49 -1.155 -5.757 -5.757 438 2HB PRO 49 HB1 PRO 49 -0.076 -4.379 -4.379 439 1HG PRO 49 HG2 PRO 49 -3.062 -4.411 -4.411 440 2HG PRO 49 HG1 PRO 49 -2.070 -3.283 -3.283 441 1HD PRO 49 HD2 PRO 49 -3.105 -2.701 -2.701 442 2HD PRO 49 HD1 PRO 49 -1.748 -1.873 -1.873 443 H LYS 50 HN LYS 50 0.385 -5.954 -5.954 444 HA LYS 50 HA LYS 50 -1.659 -7.242 -7.242 445 1HB LYS 50 HB2 LYS 50 0.618 -7.194 -7.194 446 2HB LYS 50 HB1 LYS 50 1.161 -8.127 -8.127 447 1HG LYS 50 HG2 LYS 50 -0.769 -9.769 -9.769 448 2HG LYS 50 HG1 LYS 50 0.000 -9.037 -9.037 449 1HD LYS 50 HD2 LYS 50 1.985 -10.098 -10.098 450 2HD LYS 50 HD1 LYS 50 1.894 -9.888 -9.888 451 1HE LYS 50 HE2 LYS 50 1.585 -12.176 -12.176 452 2HE LYS 50 HE1 LYS 50 -0.094 -11.664 -11.664 453 1HZ LYS 50 HZ1 LYS 50 1.599 -11.911 -11.911 454 2HZ LYS 50 HZ3 LYS 50 0.938 -13.309 -13.309 455 3HZ LYS 50 HZ2 LYS 50 -0.087 -12.069 -12.069 456 H ASN 51 HN ASN 51 -0.541 -8.132 -8.132 457 HA ASN 51 HA ASN 51 -1.271 -10.791 -10.791 458 1HB ASN 51 HB2 ASN 51 -0.885 -8.668 -8.668 459 2HB ASN 51 HB1 ASN 51 -1.717 -10.075 -10.075 460 1HD2 ASN 51 HD22 ASN 51 1.219 -12.016 -12.016 461 2HD2 ASN 51 HD21 ASN 51 -0.438 -11.894 -11.894 462 H TYR 52 HN TYR 52 -3.185 -7.944 -7.944 463 HA TYR 52 HA TYR 52 -5.675 -9.487 -9.487 464 1HB TYR 52 HB2 TYR 52 -4.978 -6.542 -6.542 465 2HB TYR 52 HB1 TYR 52 -6.634 -7.086 -7.086 466 HD1 TYR 52 HD1 TYR 52 -3.723 -8.635 -8.635 467 HD2 TYR 52 HD2 TYR 52 -7.349 -6.390 -6.390 468 HE1 TYR 52 HE1 TYR 52 -3.659 -8.763 -8.763 469 HE2 TYR 52 HE2 TYR 52 -7.285 -6.531 -6.531 470 HH TYR 52 HH TYR 52 -4.633 -7.307 -7.307 471 H ILE 53 HN ILE 53 -4.142 -9.575 -9.575 472 HA ILE 53 HA ILE 53 -6.205 -8.711 -8.711 473 HB ILE 53 HB ILE 53 -3.570 -7.797 -7.797 474 1HG1 ILE 53 HG12 ILE 53 -5.241 -6.110 -6.110 475 2HG1 ILE 53 HG11 ILE 53 -3.783 -6.965 -6.965 476 1HG2 ILE 53 HG22 ILE 53 -6.418 -7.113 -7.113 477 2HG2 ILE 53 HG21 ILE 53 -5.235 -5.827 -5.827 478 3HG2 ILE 53 HG23 ILE 53 -5.116 -7.296 -7.296 479 1HD1 ILE 53 HD13 ILE 53 -2.891 -5.722 -5.722 480 2HD1 ILE 53 HD12 ILE 53 -4.083 -4.556 -4.556 481 3HD1 ILE 53 HD11 ILE 53 -2.749 -5.037 -5.037 482 H GLU 54 HN GLU 54 -5.632 -9.183 -9.183 483 HA GLU 54 HA GLU 54 -3.645 -11.153 -11.153 484 1HB GLU 54 HB2 GLU 54 -6.460 -11.829 -11.829 485 2HB GLU 54 HB1 GLU 54 -5.753 -12.362 -12.362 486 1HG GLU 54 HG2 GLU 54 -4.224 -12.858 -12.858 487 2HG GLU 54 HG1 GLU 54 -5.608 -13.895 -13.895 488 H MET 55 HN MET 55 -3.345 -11.378 -11.378 489 HA MET 55 HA MET 55 -4.179 -8.885 -8.885 490 1HB MET 55 HB2 MET 55 -1.758 -9.849 -9.849 491 2HB MET 55 HB1 MET 55 -2.274 -10.877 -10.877 492 1HG MET 55 HG2 MET 55 -2.852 -8.940 -8.940 493 2HG MET 55 HG1 MET 55 -2.528 -7.859 -7.859 494 1HE MET 55 HE2 MET 55 -1.799 -7.927 -7.927 495 2HE MET 55 HE1 MET 55 -0.386 -6.910 -6.910 496 3HE MET 55 HE3 MET 55 -0.210 -8.488 -8.488 497 H LYS 56 HN LYS 56 -6.005 -8.979 -8.979 498 HA LYS 56 HA LYS 56 -6.559 -11.412 -11.412 499 1HB LYS 56 HB2 LYS 56 -8.216 -9.384 -9.384 500 2HB LYS 56 HB1 LYS 56 -8.822 -10.114 -10.114 501 1HG LYS 56 HG2 LYS 56 -8.615 -12.327 -12.327 502 2HG LYS 56 HG1 LYS 56 -7.735 -11.701 -11.701 503 1HD LYS 56 HD2 LYS 56 -10.101 -12.191 -12.191 504 2HD LYS 56 HD1 LYS 56 -9.739 -10.474 -10.474 505 1HE LYS 56 HE2 LYS 56 -10.684 -10.075 -10.075 506 2HE LYS 56 HE1 LYS 56 -11.092 -11.788 -11.788 507 1HZ LYS 56 HZ3 LYS 56 -12.027 -10.310 -10.310 508 2HZ LYS 56 HZ2 LYS 56 -12.820 -10.036 -10.036 509 3HZ LYS 56 HZ1 LYS 56 -12.753 -11.602 -11.602 510 HA PRO 57 HA PRO 57 -6.082 -9.290 -9.290 511 1HB PRO 57 HB2 PRO 57 -7.665 -10.748 -10.748 512 2HB PRO 57 HB1 PRO 57 -6.071 -11.275 -11.275 513 1HG PRO 57 HG2 PRO 57 -8.749 -12.171 -12.171 514 2HG PRO 57 HG1 PRO 57 -7.213 -13.016 -13.016 515 1HD PRO 57 HD2 PRO 57 -8.518 -11.750 -11.750 516 2HD PRO 57 HD1 PRO 57 -6.849 -12.358 -12.358 517 H HIS 58 HN HIS 58 -6.990 -7.430 -7.430 518 HA HIS 58 HA HIS 58 -9.928 -7.227 -7.227 519 1HB HIS 58 HB2 HIS 58 -8.251 -5.475 -5.475 520 2HB HIS 58 HB1 HIS 58 -9.821 -4.963 -4.963 521 HD1 HIS 58 HD1 HIS 58 -11.909 -6.085 -6.085 522 HD2 HIS 58 HD2 HIS 58 -8.336 -7.725 -7.725 523 HE1 HIS 58 HE1 HIS 58 -12.524 -7.611 -7.611 524 HA PRO 59 HA PRO 59 -8.746 -4.768 -4.768 525 1HB PRO 59 HB2 PRO 59 -10.771 -2.910 -2.910 526 2HB PRO 59 HB1 PRO 59 -10.942 -4.605 -4.605 527 1HG PRO 59 HG2 PRO 59 -11.985 -3.233 -3.233 528 2HG PRO 59 HG1 PRO 59 -12.624 -4.651 -4.651 529 1HD PRO 59 HD2 PRO 59 -11.133 -4.721 -4.721 530 2HD PRO 59 HD1 PRO 59 -11.434 -6.107 -6.107 531 H GLU 60 HN GLU 60 -9.042 -1.999 -1.999 532 HA GLU 60 HA GLU 60 -7.850 -0.612 -0.612 533 1HB GLU 60 HB2 GLU 60 -5.957 0.208 0.208 534 2HB GLU 60 HB1 GLU 60 -5.903 -1.524 -1.524 535 1HG GLU 60 HG2 GLU 60 -7.017 -1.947 -1.947 536 2HG GLU 60 HG1 GLU 60 -6.962 -0.217 -0.217 537 H PHE 61 HN PHE 61 -8.955 -0.317 -0.317 538 HA PHE 61 HA PHE 61 -9.443 2.581 2.581 539 1HB PHE 61 HB2 PHE 61 -8.142 1.643 1.643 540 2HB PHE 61 HB1 PHE 61 -9.748 1.271 1.271 541 HD1 PHE 61 HD1 PHE 61 -7.957 4.101 4.101 542 HD2 PHE 61 HD2 PHE 61 -10.814 2.907 2.907 543 HE1 PHE 61 HE1 PHE 61 -8.252 6.472 6.472 544 HE2 PHE 61 HE2 PHE 61 -11.107 5.277 5.277 545 HZ PHE 61 HZ PHE 61 -9.827 7.059 7.059 546 H ILE 62 HN ILE 62 -11.429 2.897 2.897 547 HA ILE 62 HA ILE 62 -13.778 2.041 2.041 548 HB ILE 62 HB ILE 62 -13.314 1.203 1.203 549 1HG1 ILE 62 HG12 ILE 62 -14.477 -0.894 -0.894 550 2HG1 ILE 62 HG11 ILE 62 -13.535 -0.134 -0.134 551 1HG2 ILE 62 HG22 ILE 62 -15.901 1.606 1.606 552 2HG2 ILE 62 HG21 ILE 62 -15.778 0.329 0.329 553 3HG2 ILE 62 HG23 ILE 62 -15.516 2.012 2.012 554 1HD1 ILE 62 HD13 ILE 62 -12.185 -0.481 -0.481 555 2HD1 ILE 62 HD12 ILE 62 -12.478 -1.942 -1.942 556 3HD1 ILE 62 HD11 ILE 62 -11.525 -0.625 -0.625 557 H VAL 63 HN VAL 63 -14.315 4.186 4.186 558 HA VAL 63 HA VAL 63 -14.043 6.368 6.368 559 HB VAL 63 HB VAL 63 -15.693 7.523 7.523 560 1HG1 VAL 63 HG11 VAL 63 -13.597 5.862 5.862 561 2HG1 VAL 63 HG13 VAL 63 -14.335 7.340 7.340 562 3HG1 VAL 63 HG12 VAL 63 -13.309 7.402 7.402 563 1HG2 VAL 63 HG22 VAL 63 -16.197 4.700 4.700 564 2HG2 VAL 63 HG21 VAL 63 -17.287 6.086 6.086 565 3HG2 VAL 63 HG23 VAL 63 -16.128 5.853 5.853 566 H THR 64 HN THR 64 -14.986 6.434 6.434 567 HA THR 64 HA THR 64 -17.810 5.472 5.472 568 HB THR 64 HB THR 64 -16.310 4.166 4.166 569 HG1 THR 64 HG1 THR 64 -18.167 4.542 4.542 570 1HG2 THR 64 HG23 THR 64 -15.394 6.855 6.855 571 2HG2 THR 64 HG22 THR 64 -14.943 5.298 5.298 572 3HG2 THR 64 HG21 THR 64 -14.430 5.716 5.716 573 H ASP 65 HN ASP 65 -15.544 8.078 8.078 574 HA ASP 65 HA ASP 65 -17.311 9.675 9.675 575 1HB ASP 65 HB2 ASP 65 -14.772 9.962 9.962 576 2HB ASP 65 HB1 ASP 65 -15.212 10.805 10.805 577 1H SER 1 HT1 SER 1 -2.566 -18.821 -18.821 578 2H SER 1 HT3 SER 1 -1.270 -18.081 -18.081 579 3H SER 1 HT2 SER 1 -1.029 -18.788 -18.788 580 HA SER 1 HA SER 1 -1.123 -16.436 -16.436 581 1HB SER 1 HB2 SER 1 -3.473 -16.765 -16.765 582 2HB SER 1 HB1 SER 1 -3.546 -15.487 -15.487 583 HG SER 1 HG SER 1 -2.175 -15.574 -15.574 584 HA PRO 2 HA PRO 2 -3.553 -18.442 -18.442 585 1HB PRO 2 HB2 PRO 2 -1.698 -18.006 -18.006 586 2HB PRO 2 HB1 PRO 2 -1.694 -19.432 -19.432 587 1HG PRO 2 HG2 PRO 2 0.110 -17.052 -17.052 588 2HG PRO 2 HG1 PRO 2 0.416 -18.706 -18.706 589 1HD PRO 2 HD2 PRO 2 -0.231 -16.491 -16.491 590 2HD PRO 2 HD1 PRO 2 -0.237 -18.199 -18.199 591 H LEU 3 HN LEU 3 -2.575 -15.290 -15.290 592 HA LEU 3 HA LEU 3 -4.473 -14.187 -14.187 593 1HB LEU 3 HB2 LEU 3 -2.968 -12.726 -12.726 594 2HB LEU 3 HB1 LEU 3 -2.201 -14.307 -14.307 595 HG LEU 3 HG LEU 3 -1.517 -12.013 -12.013 596 1HD1 LEU 3 HD11 LEU 3 -0.768 -12.146 -12.146 597 2HD1 LEU 3 HD13 LEU 3 0.375 -13.337 -13.337 598 3HD1 LEU 3 HD12 LEU 3 0.393 -11.689 -11.689 599 1HD2 LEU 3 HD22 LEU 3 -0.766 -14.916 -14.916 600 2HD2 LEU 3 HD21 LEU 3 -1.023 -13.844 -13.844 601 3HD2 LEU 3 HD23 LEU 3 0.471 -13.742 -13.742 602 H LEU 4 HN LEU 4 -5.687 -12.839 -12.839 603 HA LEU 4 HA LEU 4 -4.594 -11.772 -11.772 604 1HB LEU 4 HB2 LEU 4 -7.152 -12.524 -12.524 605 2HB LEU 4 HB1 LEU 4 -7.244 -10.767 -10.767 606 HG LEU 4 HG LEU 4 -5.862 -12.115 -12.115 607 1HD1 LEU 4 HD13 LEU 4 -8.803 -12.475 -12.475 608 2HD1 LEU 4 HD12 LEU 4 -8.168 -12.558 -12.558 609 3HD1 LEU 4 HD11 LEU 4 -7.618 -13.710 -13.710 610 1HD2 LEU 4 HD23 LEU 4 -6.832 -9.586 -9.586 611 2HD2 LEU 4 HD22 LEU 4 -6.461 -10.197 -10.197 612 3HD2 LEU 4 HD21 LEU 4 -8.117 -10.261 -10.261 613 HA PRO 5 HA PRO 5 -5.347 -7.612 -7.612 614 1HB PRO 5 HB2 PRO 5 -6.062 -7.599 -7.599 615 2HB PRO 5 HB1 PRO 5 -7.232 -7.606 -7.606 616 1HG PRO 5 HG2 PRO 5 -6.466 -9.833 -9.833 617 2HG PRO 5 HG1 PRO 5 -7.973 -9.588 -9.588 618 1HD PRO 5 HD2 PRO 5 -5.866 -11.348 -11.348 619 2HD PRO 5 HD1 PRO 5 -7.237 -10.881 -10.881 620 H LYS 6 HN LYS 6 -3.105 -7.300 -7.300 621 HA LYS 6 HA LYS 6 -1.672 -6.960 -6.960 622 1HB LYS 6 HB2 LYS 6 -1.561 -9.666 -9.666 623 2HB LYS 6 HB1 LYS 6 0.029 -8.953 -8.953 624 1HG LYS 6 HG2 LYS 6 -1.833 -8.522 -8.522 625 2HG LYS 6 HG1 LYS 6 -1.502 -10.225 -10.225 626 1HD LYS 6 HD2 LYS 6 0.958 -9.672 -9.672 627 2HD LYS 6 HD1 LYS 6 0.533 -8.040 -8.040 628 1HE LYS 6 HE2 LYS 6 -0.729 -10.188 -10.188 629 2HE LYS 6 HE1 LYS 6 1.028 -10.123 -10.123 630 1HZ LYS 6 HZ1 LYS 6 -0.775 -7.796 -7.796 631 2HZ LYS 6 HZ3 LYS 6 -0.105 -8.709 -8.709 632 3HZ LYS 6 HZ2 LYS 6 0.907 -7.819 -7.819 633 H LEU 7 HN LEU 7 -0.195 -8.435 -8.435 634 HA LEU 7 HA LEU 7 1.382 -7.537 -7.537 635 1HB LEU 7 HB2 LEU 7 -0.851 -5.569 -5.569 636 2HB LEU 7 HB1 LEU 7 0.625 -5.043 -5.043 637 HG LEU 7 HG LEU 7 -0.648 -7.698 -7.698 638 1HD1 LEU 7 HD11 LEU 7 -2.223 -5.646 -5.646 639 2HD1 LEU 7 HD13 LEU 7 -1.152 -5.191 -5.191 640 3HD1 LEU 7 HD12 LEU 7 -2.020 -6.727 -6.727 641 1HD2 LEU 7 HD23 LEU 7 1.742 -6.974 -6.974 642 2HD2 LEU 7 HD22 LEU 7 0.687 -7.581 -7.581 643 3HD2 LEU 7 HD21 LEU 7 0.945 -5.845 -5.845 644 HA PRO 8 HA PRO 8 3.643 -5.206 -5.206 645 1HB PRO 8 HB2 PRO 8 5.941 -6.711 -6.711 646 2HB PRO 8 HB1 PRO 8 4.561 -7.115 -7.115 647 1HG PRO 8 HG2 PRO 8 5.431 -8.404 -8.404 648 2HG PRO 8 HG1 PRO 8 4.503 -9.091 -9.091 649 1HD PRO 8 HD2 PRO 8 3.438 -8.188 -8.188 650 2HD PRO 8 HD1 PRO 8 2.507 -8.589 -8.589 651 HA PRO 9 HA PRO 9 5.897 -2.933 -2.933 652 1HB PRO 9 HB2 PRO 9 7.218 -1.163 -1.163 653 2HB PRO 9 HB1 PRO 9 5.499 -1.017 -1.017 654 1HG PRO 9 HG2 PRO 9 6.749 -1.900 -1.900 655 2HG PRO 9 HG1 PRO 9 5.156 -1.174 -1.174 656 1HD PRO 9 HD2 PRO 9 5.683 -3.932 -3.932 657 2HD PRO 9 HD1 PRO 9 4.151 -3.230 -3.230 658 H LYS 10 HN LYS 10 7.872 -3.437 -3.437 659 HA LYS 10 HA LYS 10 10.390 -3.558 -3.558 660 1HB LYS 10 HB2 LYS 10 9.796 -3.397 -3.397 661 2HB LYS 10 HB1 LYS 10 9.846 -5.159 -5.159 662 1HG LYS 10 HG2 LYS 10 12.124 -5.142 -5.142 663 2HG LYS 10 HG1 LYS 10 12.089 -3.392 -3.392 664 1HD LYS 10 HD2 LYS 10 11.818 -3.063 -3.063 665 2HD LYS 10 HD1 LYS 10 11.790 -4.809 -4.809 666 1HE LYS 10 HE2 LYS 10 14.070 -5.019 -5.019 667 2HE LYS 10 HE1 LYS 10 14.110 -3.313 -3.313 668 1HZ LYS 10 HZ2 LYS 10 13.728 -4.336 -4.336 669 2HZ LYS 10 HZ1 LYS 10 15.195 -3.747 -3.747 670 3HZ LYS 10 HZ3 LYS 10 13.866 -2.707 -2.707 671 H THR 11 HN THR 11 11.344 -5.164 -5.164 672 HA THR 11 HA THR 11 9.871 -7.736 -7.736 673 HB THR 11 HB THR 11 12.195 -7.276 -7.276 674 HG1 THR 11 HG1 THR 11 11.655 -5.257 -5.257 675 1HG2 THR 11 HG23 THR 11 10.164 -8.979 -8.979 676 2HG2 THR 11 HG22 THR 11 9.367 -7.653 -7.653 677 3HG2 THR 11 HG21 THR 11 10.851 -8.347 -8.347 678 H TYR 12 HN TYR 12 11.940 -9.378 -9.378 679 HA TYR 12 HA TYR 12 13.688 -9.530 -9.530 680 1HB TYR 12 HB2 TYR 12 11.844 -11.350 -11.350 681 2HB TYR 12 HB1 TYR 12 13.048 -11.932 -11.932 682 HD1 TYR 12 HD2 TYR 12 15.336 -12.577 -12.577 683 HD2 TYR 12 HD1 TYR 12 12.129 -11.643 -11.643 684 HE1 TYR 12 HE2 TYR 12 16.573 -13.675 -13.675 685 HE2 TYR 12 HE1 TYR 12 13.366 -12.741 -12.741 686 HH TYR 12 HH TYR 12 15.638 -14.841 -14.841 687 H LYS 13 HN LYS 13 15.891 -10.117 -10.117 688 HA LYS 13 HA LYS 13 17.916 -10.224 -10.224 689 1HB LYS 13 HB2 LYS 13 16.361 -12.003 -12.003 690 2HB LYS 13 HB1 LYS 13 16.518 -10.825 -10.825 691 1HG LYS 13 HG2 LYS 13 18.391 -12.132 -12.132 692 2HG LYS 13 HG1 LYS 13 19.081 -10.914 -10.914 693 1HD LYS 13 HD2 LYS 13 19.129 -12.359 -12.359 694 2HD LYS 13 HD1 LYS 13 17.862 -13.395 -13.395 695 1HE LYS 13 HE2 LYS 13 19.321 -14.585 -14.585 696 2HE LYS 13 HE1 LYS 13 20.359 -13.190 -13.190 697 1HZ LYS 13 HZ1 LYS 13 20.183 -14.639 -14.639 698 2HZ LYS 13 HZ3 LYS 13 21.392 -14.895 -14.895 699 3HZ LYS 13 HZ2 LYS 13 21.261 -13.385 -13.385 700 H ARG 14 HN ARG 14 19.178 -8.826 -8.826 701 HA ARG 14 HA ARG 14 19.686 -6.820 -6.820 702 1HB ARG 14 HB2 ARG 14 17.851 -8.047 -8.047 703 2HB ARG 14 HB1 ARG 14 16.977 -6.565 -6.565 704 1HG ARG 14 HG2 ARG 14 18.174 -5.826 -5.826 705 2HG ARG 14 HG1 ARG 14 19.337 -5.456 -5.456 706 1HD ARG 14 HD2 ARG 14 19.488 -8.216 -8.216 707 2HD ARG 14 HD1 ARG 14 19.919 -6.956 -6.956 708 HE ARG 14 HE ARG 14 21.194 -6.793 -6.793 709 1HH1 ARG 14 HH11 ARG 14 22.251 -5.382 -5.382 710 2HH1 ARG 14 HH12 ARG 14 23.567 -6.404 -6.404 711 1HH2 ARG 14 HH21 ARG 14 22.500 -9.106 -9.106 712 2HH2 ARG 14 HH22 ARG 14 23.708 -8.512 -8.512 713 H GLU 15 HN GLU 15 19.829 -5.160 -5.160 714 HA GLU 15 HA GLU 15 17.299 -3.747 -3.747 715 1HB GLU 15 HB2 GLU 15 19.503 -4.692 -4.692 716 2HB GLU 15 HB1 GLU 15 18.515 -3.295 -3.295 717 1HG GLU 15 HG2 GLU 15 17.396 -6.017 -6.017 718 2HG GLU 15 HG1 GLU 15 17.619 -5.443 -5.443 Start of MODEL 28 1 1H GLY -8 HT1 GLY -8 8.092 -8.889 -8.889 2 2H GLY -8 HT3 GLY -8 9.111 -7.919 -7.919 3 3H GLY -8 HT2 GLY -8 7.442 -7.962 -7.962 4 1HA GLY -8 HA1 GLY -8 7.104 -6.561 -6.561 5 2HA GLY -8 HA2 GLY -8 8.673 -5.902 -5.902 6 H SER -7 HN SER -7 9.081 -5.645 -5.645 7 HA SER -7 HA SER -7 9.000 -5.843 -5.843 8 1HB SER -7 HB2 SER -7 9.706 -8.198 -8.198 9 2HB SER -7 HB1 SER -7 8.008 -8.659 -8.659 10 HG SER -7 HG SER -7 9.476 -7.429 -7.429 11 H ARG -6 HN ARG -6 7.296 -4.402 -4.402 12 HA ARG -6 HA ARG -6 4.674 -5.698 -5.698 13 1HB ARG -6 HB2 ARG -6 5.058 -3.069 -3.069 14 2HB ARG -6 HB1 ARG -6 3.507 -3.715 -3.715 15 1HG ARG -6 HG2 ARG -6 3.659 -5.580 -5.580 16 2HG ARG -6 HG1 ARG -6 5.361 -5.263 -5.263 17 1HD ARG -6 HD2 ARG -6 3.015 -3.516 -3.516 18 2HD ARG -6 HD1 ARG -6 4.021 -4.479 -4.479 19 HE ARG -6 HE ARG -6 4.904 -2.013 -2.013 20 1HH1 ARG -6 HH21 ARG -6 6.624 -4.589 -4.589 21 2HH1 ARG -6 HH22 ARG -6 7.446 -3.852 -3.852 22 1HH2 ARG -6 HH11 ARG -6 5.428 -1.032 -1.032 23 2HH2 ARG -6 HH12 ARG -6 6.769 -1.838 -1.838 24 H ARG -5 HN ARG -5 6.137 -2.430 -2.430 25 HA ARG -5 HA ARG -5 6.343 -0.956 -0.956 26 1HB ARG -5 HB2 ARG -5 7.072 -3.552 -3.552 27 2HB ARG -5 HB1 ARG -5 6.119 -2.781 -2.781 28 1HG ARG -5 HG2 ARG -5 8.360 -2.100 -2.100 29 2HG ARG -5 HG1 ARG -5 7.603 -0.714 -0.714 30 1HD ARG -5 HD2 ARG -5 9.459 -0.836 -0.836 31 2HD ARG -5 HD1 ARG -5 8.486 -2.037 -2.037 32 HE ARG -5 HE ARG -5 9.964 -3.700 -3.700 33 1HH1 ARG -5 HH11 ARG -5 10.133 -3.914 -3.914 34 2HH1 ARG -5 HH12 ARG -5 11.556 -3.074 -3.074 35 1HH2 ARG -5 HH21 ARG -5 11.867 -1.253 -1.253 36 2HH2 ARG -5 HH22 ARG -5 12.539 -1.566 -1.566 37 H ALA -4 HN ALA -4 4.198 -0.113 -0.113 38 HA ALA -4 HA ALA -4 2.394 -0.287 -0.287 39 1HB ALA -4 HB1 ALA -4 1.816 -1.826 -1.826 40 2HB ALA -4 HB3 ALA -4 0.472 -0.968 -0.968 41 3HB ALA -4 HB2 ALA -4 1.367 -2.181 -2.181 42 H SER -3 HN SER -3 0.211 0.933 0.933 43 HA SER -3 HA SER -3 1.151 3.432 3.432 44 1HB SER -3 HB2 SER -3 -0.317 3.100 3.100 45 2HB SER -3 HB1 SER -3 -1.627 3.179 3.179 46 HG SER -3 HG SER -3 -1.032 5.250 5.250 47 H VAL -2 HN VAL -2 -1.929 1.600 1.600 48 HA VAL -2 HA VAL -2 -1.900 1.986 1.986 49 HB VAL -2 HB VAL -2 -4.405 2.193 2.193 50 1HG1 VAL -2 HG11 VAL -2 -2.592 4.128 4.128 51 2HG1 VAL -2 HG13 VAL -2 -3.242 4.347 4.347 52 3HG1 VAL -2 HG12 VAL -2 -4.304 4.488 4.488 53 1HG2 VAL -2 HG22 VAL -2 -4.168 1.179 1.179 54 2HG2 VAL -2 HG21 VAL -2 -5.519 2.210 2.210 55 3HG2 VAL -2 HG23 VAL -2 -4.149 2.896 2.896 56 H GLY -1 HN GLY -1 -2.690 0.213 0.213 57 1HA GLY -1 HA2 GLY -1 -4.193 -1.963 -1.963 58 2HA GLY -1 HA1 GLY -1 -2.553 -2.369 -2.369 59 H SER 0 HN SER 0 -4.152 -0.993 -0.993 60 HA SER 0 HA SER 0 -2.175 -2.318 -2.318 61 1HB SER 0 HB2 SER 0 -3.928 -1.328 -1.328 62 2HB SER 0 HB1 SER 0 -2.725 -0.297 -0.297 63 HG SER 0 HG SER 0 -5.424 -0.715 -0.715 64 H MET 1 HN MET 1 -3.173 -3.520 -3.520 65 HA MET 1 HA MET 1 -5.348 -5.319 -5.319 66 1HB MET 1 HB2 MET 1 -2.803 -5.885 -5.885 67 2HB MET 1 HB1 MET 1 -4.220 -6.868 -6.868 68 1HG MET 1 HG2 MET 1 -4.400 -7.718 -7.718 69 2HG MET 1 HG1 MET 1 -3.492 -6.387 -6.387 70 1HE MET 1 HE3 MET 1 -3.509 -9.249 -9.249 71 2HE MET 1 HE2 MET 1 -1.860 -9.861 -9.861 72 3HE MET 1 HE1 MET 1 -2.866 -10.262 -10.262 73 H GLU 2 HN GLU 2 -6.251 -6.538 -6.538 74 HA GLU 2 HA GLU 2 -6.760 -4.394 -4.394 75 1HB GLU 2 HB2 GLU 2 -8.596 -5.620 -5.620 76 2HB GLU 2 HB1 GLU 2 -8.876 -6.359 -6.359 77 1HG GLU 2 HG2 GLU 2 -9.305 -4.252 -4.252 78 2HG GLU 2 HG1 GLU 2 -8.655 -3.368 -3.368 79 H ALA 3 HN ALA 3 -7.700 -5.575 -5.575 80 HA ALA 3 HA ALA 3 -6.715 -8.266 -8.266 81 1HB ALA 3 HB2 ALA 3 -4.997 -6.152 -6.152 82 2HB ALA 3 HB1 ALA 3 -5.546 -6.624 -6.624 83 3HB ALA 3 HB3 ALA 3 -4.801 -7.815 -7.815 84 H ILE 4 HN ILE 4 -8.294 -9.153 -9.153 85 HA ILE 4 HA ILE 4 -10.372 -7.823 -7.823 86 HB ILE 4 HB ILE 4 -10.636 -10.036 -10.036 87 1HG1 ILE 4 HG12 ILE 4 -10.933 -10.782 -10.782 88 2HG1 ILE 4 HG11 ILE 4 -11.559 -9.170 -9.170 89 1HG2 ILE 4 HG22 ILE 4 -8.180 -10.596 -10.596 90 2HG2 ILE 4 HG21 ILE 4 -9.094 -11.292 -11.292 91 3HG2 ILE 4 HG23 ILE 4 -9.378 -11.853 -11.853 92 1HD1 ILE 4 HD11 ILE 4 -12.196 -11.499 -11.499 93 2HD1 ILE 4 HD13 ILE 4 -13.134 -11.168 -11.168 94 3HD1 ILE 4 HD12 ILE 4 -13.049 -9.965 -9.965 95 H ALA 5 HN ALA 5 -10.385 -6.849 -6.849 96 HA ALA 5 HA ALA 5 -8.245 -7.203 -7.203 97 1HB ALA 5 HB3 ALA 5 -10.836 -5.633 -5.633 98 2HB ALA 5 HB2 ALA 5 -9.891 -5.804 -5.804 99 3HB ALA 5 HB1 ALA 5 -9.183 -5.018 -5.018 100 H LYS 6 HN LYS 6 -8.319 -9.304 -9.304 101 HA LYS 6 HA LYS 6 -10.595 -10.906 -10.906 102 1HB LYS 6 HB2 LYS 6 -7.951 -10.945 -10.945 103 2HB LYS 6 HB1 LYS 6 -9.131 -12.256 -12.256 104 1HG LYS 6 HG2 LYS 6 -8.776 -12.706 -12.706 105 2HG LYS 6 HG1 LYS 6 -8.060 -11.124 -11.124 106 1HD LYS 6 HD2 LYS 6 -6.129 -12.366 -12.366 107 2HD LYS 6 HD1 LYS 6 -6.277 -12.027 -12.027 108 1HE LYS 6 HE2 LYS 6 -7.767 -14.403 -14.403 109 2HE LYS 6 HE1 LYS 6 -6.010 -14.536 -14.536 110 1HZ LYS 6 HZ3 LYS 6 -6.136 -13.634 -13.634 111 2HZ LYS 6 HZ2 LYS 6 -7.781 -14.059 -14.059 112 3HZ LYS 6 HZ1 LYS 6 -6.584 -15.248 -15.248 113 H TYR 7 HN TYR 7 -9.178 -8.411 -8.411 114 HA TYR 7 HA TYR 7 -11.522 -8.625 -8.625 115 1HB TYR 7 HB2 TYR 7 -8.769 -8.392 -8.392 116 2HB TYR 7 HB1 TYR 7 -10.284 -8.782 -8.782 117 HD1 TYR 7 HD2 TYR 7 -7.870 -10.051 -10.051 118 HD2 TYR 7 HD1 TYR 7 -10.913 -11.027 -11.027 119 HE1 TYR 7 HE2 TYR 7 -7.354 -12.443 -12.443 120 HE2 TYR 7 HE1 TYR 7 -10.414 -13.444 -13.444 121 HH TYR 7 HH TYR 7 -8.318 -14.807 -14.807 122 H ASP 8 HN ASP 8 -11.001 -6.831 -6.831 123 HA ASP 8 HA ASP 8 -10.818 -4.371 -4.371 124 1HB ASP 8 HB2 ASP 8 -11.829 -3.326 -3.326 125 2HB ASP 8 HB1 ASP 8 -12.682 -4.838 -4.838 126 H PHE 9 HN PHE 9 -9.552 -2.556 -2.556 127 HA PHE 9 HA PHE 9 -7.447 -2.871 -2.871 128 1HB PHE 9 HB2 PHE 9 -6.543 -4.401 -4.401 129 2HB PHE 9 HB1 PHE 9 -6.760 -3.185 -3.185 130 HD1 PHE 9 HD2 PHE 9 -5.460 -1.109 -1.109 131 HD2 PHE 9 HD1 PHE 9 -4.669 -4.354 -4.354 132 HE1 PHE 9 HE2 PHE 9 -3.201 -0.167 -0.167 133 HE2 PHE 9 HE1 PHE 9 -2.417 -3.430 -3.430 134 HZ PHE 9 HZ PHE 9 -1.681 -1.330 -1.330 135 H LYS 10 HN LYS 10 -6.201 -0.767 -0.767 136 HA LYS 10 HA LYS 10 -7.412 1.364 1.364 137 1HB LYS 10 HB2 LYS 10 -7.369 1.122 1.122 138 2HB LYS 10 HB1 LYS 10 -6.721 2.663 2.663 139 1HG LYS 10 HG2 LYS 10 -8.822 2.741 2.741 140 2HG LYS 10 HG1 LYS 10 -9.467 1.504 1.504 141 1HD LYS 10 HD2 LYS 10 -10.210 3.518 3.518 142 2HD LYS 10 HD1 LYS 10 -8.773 3.110 3.110 143 1HE LYS 10 HE2 LYS 10 -7.438 4.706 4.706 144 2HE LYS 10 HE1 LYS 10 -8.616 4.881 4.881 145 1HZ LYS 10 HZ1 LYS 10 -9.044 5.686 5.686 146 2HZ LYS 10 HZ3 LYS 10 -8.696 6.743 6.743 147 3HZ LYS 10 HZ2 LYS 10 -10.157 5.876 5.876 148 H ALA 11 HN ALA 11 -6.130 3.031 3.031 149 HA ALA 11 HA ALA 11 -3.449 2.464 2.464 150 1HB ALA 11 HB3 ALA 11 -4.893 4.231 4.231 151 2HB ALA 11 HB2 ALA 11 -4.516 5.265 5.265 152 3HB ALA 11 HB1 ALA 11 -3.221 4.695 4.695 153 H THR 12 HN THR 12 -1.588 2.658 2.658 154 HA THR 12 HA THR 12 -1.874 4.021 4.021 155 HB THR 12 HB THR 12 -0.109 2.503 2.503 156 HG1 THR 12 HG1 THR 12 1.116 1.665 1.665 157 1HG2 THR 12 HG21 THR 12 -2.597 1.867 1.867 158 2HG2 THR 12 HG23 THR 12 -2.161 0.842 0.842 159 3HG2 THR 12 HG22 THR 12 -1.444 0.550 0.550 160 H ALA 13 HN ALA 13 0.584 3.272 3.272 161 HA ALA 13 HA ALA 13 2.454 5.272 5.272 162 1HB ALA 13 HB2 ALA 13 2.106 3.713 3.713 163 2HB ALA 13 HB1 ALA 13 3.296 5.013 5.013 164 3HB ALA 13 HB3 ALA 13 3.411 3.619 3.619 165 H ASP 14 HN ASP 14 3.134 6.992 6.992 166 HA ASP 14 HA ASP 14 0.935 8.834 8.834 167 1HB ASP 14 HB2 ASP 14 3.457 9.161 9.161 168 2HB ASP 14 HB1 ASP 14 3.599 9.229 9.229 169 H ASP 15 HN ASP 15 1.902 6.334 6.334 170 HA ASP 15 HA ASP 15 0.495 7.522 7.522 171 1HB ASP 15 HB2 ASP 15 3.278 6.511 6.511 172 2HB ASP 15 HB1 ASP 15 2.298 6.105 6.105 173 H GLU 16 HN GLU 16 -0.316 5.626 5.626 174 HA GLU 16 HA GLU 16 -0.391 3.039 3.039 175 1HB GLU 16 HB2 GLU 16 0.091 3.342 3.342 176 2HB GLU 16 HB1 GLU 16 -1.652 3.555 3.555 177 1HG GLU 16 HG2 GLU 16 -2.113 1.384 1.384 178 2HG GLU 16 HG1 GLU 16 -0.678 1.241 1.241 179 H LEU 17 HN LEU 17 -2.662 1.924 1.924 180 HA LEU 17 HA LEU 17 -4.714 3.915 3.915 181 1HB LEU 17 HB2 LEU 17 -3.640 1.910 1.910 182 2HB LEU 17 HB1 LEU 17 -5.113 1.156 1.156 183 HG LEU 17 HG LEU 17 -5.091 3.918 3.918 184 1HD1 LEU 17 HD12 LEU 17 -4.919 1.253 1.253 185 2HD1 LEU 17 HD11 LEU 17 -6.247 2.260 2.260 186 3HD1 LEU 17 HD13 LEU 17 -4.594 2.854 2.854 187 1HD2 LEU 17 HD21 LEU 17 -7.118 2.037 2.037 188 2HD2 LEU 17 HD23 LEU 17 -7.169 3.796 3.796 189 3HD2 LEU 17 HD22 LEU 17 -7.545 2.805 2.805 190 H SER 18 HN SER 18 -6.833 3.657 3.657 191 HA SER 18 HA SER 18 -7.200 1.768 1.768 192 1HB SER 18 HB2 SER 18 -8.957 4.022 4.022 193 2HB SER 18 HB1 SER 18 -8.569 3.307 3.307 194 HG SER 18 HG SER 18 -7.240 5.233 5.233 195 H PHE 19 HN PHE 19 -8.405 0.003 0.003 196 HA PHE 19 HA PHE 19 -10.778 0.452 0.452 197 1HB PHE 19 HB2 PHE 19 -10.296 -1.639 -1.639 198 2HB PHE 19 HB1 PHE 19 -9.033 -0.438 -0.438 199 HD1 PHE 19 HD1 PHE 19 -9.912 -3.612 -3.612 200 HD2 PHE 19 HD2 PHE 19 -6.800 -0.751 -0.751 201 HE1 PHE 19 HE1 PHE 19 -8.219 -5.232 -5.232 202 HE2 PHE 19 HE2 PHE 19 -5.108 -2.372 -2.372 203 HZ PHE 19 HZ PHE 19 -5.818 -4.613 -4.613 204 H LYS 20 HN LYS 20 -12.191 -1.640 -1.640 205 HA LYS 20 HA LYS 20 -12.185 -2.665 -2.665 206 1HB LYS 20 HB2 LYS 20 -14.550 -2.250 -2.250 207 2HB LYS 20 HB1 LYS 20 -14.613 -2.750 -2.750 208 1HG LYS 20 HG2 LYS 20 -13.154 -0.236 -0.236 209 2HG LYS 20 HG1 LYS 20 -14.907 -0.197 -0.197 210 1HD LYS 20 HD2 LYS 20 -14.675 -1.504 -1.504 211 2HD LYS 20 HD1 LYS 20 -13.215 -0.517 -0.517 212 1HE LYS 20 HE2 LYS 20 -15.836 0.736 0.736 213 2HE LYS 20 HE1 LYS 20 -15.456 0.474 0.474 214 1HZ LYS 20 HZ1 LYS 20 -13.630 1.862 1.862 215 2HZ LYS 20 HZ3 LYS 20 -14.769 2.677 2.677 216 3HZ LYS 20 HZ2 LYS 20 -13.521 1.792 1.792 217 H ARG 21 HN ARG 21 -13.721 -4.703 -4.703 218 HA ARG 21 HA ARG 21 -12.422 -6.745 -6.745 219 1HB ARG 21 HB2 ARG 21 -13.332 -7.047 -7.047 220 2HB ARG 21 HB1 ARG 21 -14.960 -6.882 -6.882 221 1HG ARG 21 HG2 ARG 21 -14.850 -8.914 -8.914 222 2HG ARG 21 HG1 ARG 21 -13.082 -8.904 -8.904 223 1HD ARG 21 HD2 ARG 21 -12.876 -9.698 -9.698 224 2HD ARG 21 HD1 ARG 21 -14.349 -8.899 -8.899 225 HE ARG 21 HE ARG 21 -15.637 -10.737 -10.737 226 1HH1 ARG 21 HH11 ARG 21 -13.692 -11.723 -11.723 227 2HH1 ARG 21 HH12 ARG 21 -13.062 -13.152 -13.152 228 1HH2 ARG 21 HH21 ARG 21 -14.187 -12.306 -12.306 229 2HH2 ARG 21 HH22 ARG 21 -13.343 -13.482 -13.482 230 H GLY 22 HN GLY 22 -12.838 -6.787 -6.787 231 1HA GLY 22 HA2 GLY 22 -14.440 -7.672 -7.672 232 2HA GLY 22 HA1 GLY 22 -15.703 -6.758 -6.758 233 H ASP 23 HN ASP 23 -12.952 -4.841 -4.841 234 HA ASP 23 HA ASP 23 -13.947 -3.334 -3.334 235 1HB ASP 23 HB2 ASP 23 -13.093 -2.593 -2.593 236 2HB ASP 23 HB1 ASP 23 -11.794 -2.094 -2.094 237 H ILE 24 HN ILE 24 -13.009 -4.353 -4.353 238 HA ILE 24 HA ILE 24 -10.280 -5.278 -5.278 239 HB ILE 24 HB ILE 24 -11.809 -4.620 -4.620 240 1HG1 ILE 24 HG12 ILE 24 -12.263 -6.880 -6.880 241 2HG1 ILE 24 HG11 ILE 24 -13.468 -5.820 -5.820 242 1HG2 ILE 24 HG23 ILE 24 -9.325 -5.545 -5.545 243 2HG2 ILE 24 HG22 ILE 24 -10.174 -7.079 -7.079 244 3HG2 ILE 24 HG21 ILE 24 -10.328 -6.116 -6.116 245 1HD1 ILE 24 HD12 ILE 24 -12.472 -6.958 -6.958 246 2HD1 ILE 24 HD11 ILE 24 -12.197 -8.267 -8.267 247 3HD1 ILE 24 HD13 ILE 24 -13.825 -7.640 -7.640 248 H LEU 25 HN LEU 25 -8.456 -4.248 -4.248 249 HA LEU 25 HA LEU 25 -8.627 -1.317 -1.317 250 1HB LEU 25 HB2 LEU 25 -6.135 -2.996 -2.996 251 2HB LEU 25 HB1 LEU 25 -6.297 -1.259 -1.259 252 HG LEU 25 HG LEU 25 -6.350 -2.120 -2.120 253 1HD1 LEU 25 HD13 LEU 25 -9.233 -1.846 -1.846 254 2HD1 LEU 25 HD12 LEU 25 -8.689 -1.836 -1.836 255 3HD1 LEU 25 HD11 LEU 25 -8.176 -0.558 -0.558 256 1HD2 LEU 25 HD22 LEU 25 -6.944 -4.516 -4.516 257 2HD2 LEU 25 HD21 LEU 25 -7.120 -4.177 -4.177 258 3HD2 LEU 25 HD23 LEU 25 -8.528 -4.103 -4.103 259 H LYS 26 HN LYS 26 -7.110 -0.260 -0.260 260 HA LYS 26 HA LYS 26 -6.937 -1.899 -1.899 261 1HB LYS 26 HB2 LYS 26 -6.974 1.117 1.117 262 2HB LYS 26 HB1 LYS 26 -6.848 0.300 0.300 263 1HG LYS 26 HG2 LYS 26 -9.044 -0.946 -0.946 264 2HG LYS 26 HG1 LYS 26 -9.208 0.686 0.686 265 1HD LYS 26 HD2 LYS 26 -8.715 0.110 0.110 266 2HD LYS 26 HD1 LYS 26 -10.325 0.325 0.325 267 1HE LYS 26 HE2 LYS 26 -9.186 2.526 2.526 268 2HE LYS 26 HE1 LYS 26 -8.157 2.334 2.334 269 1HZ LYS 26 HZ2 LYS 26 -10.336 2.049 2.049 270 2HZ LYS 26 HZ1 LYS 26 -11.084 2.714 2.714 271 3HZ LYS 26 HZ3 LYS 26 -9.930 3.616 3.616 272 H VAL 27 HN VAL 27 -4.898 -2.870 -2.870 273 HA VAL 27 HA VAL 27 -2.618 -1.639 -1.639 274 HB VAL 27 HB VAL 27 -2.619 -3.755 -3.755 275 1HG1 VAL 27 HG13 VAL 27 -0.474 -2.414 -2.414 276 2HG1 VAL 27 HG12 VAL 27 -0.620 -3.688 -3.688 277 3HG1 VAL 27 HG11 VAL 27 -0.404 -4.108 -4.108 278 1HG2 VAL 27 HG22 VAL 27 -2.953 -3.902 -3.902 279 2HG2 VAL 27 HG21 VAL 27 -4.045 -4.530 -4.530 280 3HG2 VAL 27 HG23 VAL 27 -2.476 -5.294 -5.294 281 H LEU 28 HN LEU 28 -1.741 0.207 0.207 282 HA LEU 28 HA LEU 28 -1.702 0.952 0.952 283 1HB LEU 28 HB2 LEU 28 -0.336 2.572 2.572 284 2HB LEU 28 HB1 LEU 28 -1.130 3.124 3.124 285 HG LEU 28 HG LEU 28 -3.075 1.837 1.837 286 1HD1 LEU 28 HD12 LEU 28 -1.337 3.973 3.973 287 2HD1 LEU 28 HD11 LEU 28 -2.962 3.609 3.609 288 3HD1 LEU 28 HD13 LEU 28 -1.707 2.374 2.374 289 1HD2 LEU 28 HD23 LEU 28 -2.613 4.455 4.455 290 2HD2 LEU 28 HD22 LEU 28 -3.995 3.366 3.366 291 3HD2 LEU 28 HD21 LEU 28 -3.807 4.419 4.419 292 H ASN 29 HN ASN 29 0.397 -0.085 -0.085 293 HA ASN 29 HA ASN 29 2.484 -0.809 -0.809 294 1HB ASN 29 HB2 ASN 29 2.573 1.803 1.803 295 2HB ASN 29 HB1 ASN 29 3.658 0.983 0.983 296 1HD2 ASN 29 HD22 ASN 29 4.766 1.457 1.457 297 2HD2 ASN 29 HD21 ASN 29 3.229 1.944 1.944 298 H GLU 30 HN GLU 30 4.585 -1.396 -1.396 299 HA GLU 30 HA GLU 30 3.635 -2.764 -2.764 300 1HB GLU 30 HB2 GLU 30 5.396 -3.876 -3.876 301 2HB GLU 30 HB1 GLU 30 5.218 -4.639 -4.639 302 1HG GLU 30 HG2 GLU 30 3.541 -5.755 -5.755 303 2HG GLU 30 HG1 GLU 30 2.621 -4.345 -4.345 304 H GLU 31 HN GLU 31 4.672 -0.438 -0.438 305 HA GLU 31 HA GLU 31 7.617 -0.589 -0.589 306 1HB GLU 31 HB2 GLU 31 5.561 1.571 1.571 307 2HB GLU 31 HB1 GLU 31 7.219 1.740 1.740 308 1HG GLU 31 HG2 GLU 31 6.859 0.881 0.881 309 2HG GLU 31 HG1 GLU 31 6.474 2.559 2.559 310 H CYS 32 HN CYS 32 8.309 0.428 0.428 311 HA CYS 32 HA CYS 32 8.466 0.059 0.059 312 1HB CYS 32 HB2 CYS 32 5.782 0.519 0.519 313 2HB CYS 32 HB1 CYS 32 5.755 -1.074 -1.074 314 HG CYS 32 HG CYS 32 7.550 0.766 0.766 315 H ASP 33 HN ASP 33 7.511 -1.917 -1.917 316 HA ASP 33 HA ASP 33 9.115 -4.086 -4.086 317 1HB ASP 33 HB2 ASP 33 7.342 -3.449 -3.449 318 2HB ASP 33 HB1 ASP 33 6.400 -4.667 -4.667 319 H GLN 34 HN GLN 34 8.623 -6.365 -6.365 320 HA GLN 34 HA GLN 34 7.224 -6.450 -6.450 321 1HB GLN 34 HB2 GLN 34 9.026 -8.415 -8.415 322 2HB GLN 34 HB1 GLN 34 8.187 -8.806 -8.806 323 1HG GLN 34 HG2 GLN 34 9.232 -6.657 -6.657 324 2HG GLN 34 HG1 GLN 34 10.288 -6.685 -6.685 325 1HE2 GLN 34 HE22 GLN 34 11.776 -8.657 -8.657 326 2HE2 GLN 34 HE21 GLN 34 11.090 -7.107 -7.107 327 H ASN 35 HN ASN 35 5.961 -6.445 -6.445 328 HA ASN 35 HA ASN 35 4.226 -8.803 -8.803 329 1HB ASN 35 HB2 ASN 35 5.057 -7.490 -7.490 330 2HB ASN 35 HB1 ASN 35 3.780 -8.709 -8.709 331 1HD2 ASN 35 HD22 ASN 35 6.040 -11.411 -11.411 332 2HD2 ASN 35 HD21 ASN 35 4.424 -10.902 -10.902 333 H TRP 36 HN TRP 36 4.333 -5.404 -5.404 334 HA TRP 36 HA TRP 36 1.338 -5.366 -5.366 335 1HB TRP 36 HB2 TRP 36 3.185 -3.014 -3.014 336 2HB TRP 36 HB1 TRP 36 1.434 -3.063 -3.063 337 HD1 TRP 36 HD1 TRP 36 4.294 -5.452 -5.452 338 HE1 TRP 36 HE1 TRP 36 4.038 -5.769 -5.769 339 HE3 TRP 36 HE3 TRP 36 0.208 -2.434 -2.434 340 HZ2 TRP 36 HZ2 TRP 36 2.431 -4.878 -4.878 341 HZ3 TRP 36 HZ3 TRP 36 -0.593 -2.185 -2.185 342 HH2 TRP 36 HH2 TRP 36 0.496 -3.408 -3.408 343 H TYR 37 HN TYR 37 0.248 -4.487 -4.487 344 HA TYR 37 HA TYR 37 1.839 -3.809 -3.809 345 1HB TYR 37 HB2 TYR 37 -1.136 -4.250 -4.250 346 2HB TYR 37 HB1 TYR 37 -0.350 -3.921 -3.921 347 HD1 TYR 37 HD2 TYR 37 2.081 -5.615 -5.615 348 HD2 TYR 37 HD1 TYR 37 -1.959 -6.389 -6.389 349 HE1 TYR 37 HE2 TYR 37 2.442 -8.051 -8.051 350 HE2 TYR 37 HE1 TYR 37 -1.615 -8.811 -8.811 351 HH TYR 37 HH TYR 37 0.097 -10.226 -10.226 352 H LYS 38 HN LYS 38 1.568 -1.852 -1.852 353 HA LYS 38 HA LYS 38 0.369 0.401 0.401 354 1HB LYS 38 HB2 LYS 38 2.554 0.669 0.669 355 2HB LYS 38 HB1 LYS 38 1.640 0.430 0.430 356 1HG LYS 38 HG2 LYS 38 0.096 2.310 2.310 357 2HG LYS 38 HG1 LYS 38 1.666 2.745 2.745 358 1HD LYS 38 HD2 LYS 38 2.108 2.212 2.212 359 2HD LYS 38 HD1 LYS 38 0.652 3.208 3.208 360 1HE LYS 38 HE2 LYS 38 2.019 4.654 4.654 361 2HE LYS 38 HE1 LYS 38 3.423 3.837 3.837 362 1HZ LYS 38 HZ3 LYS 38 1.404 5.061 5.061 363 2HZ LYS 38 HZ2 LYS 38 2.611 6.024 6.024 364 3HZ LYS 38 HZ1 LYS 38 3.037 4.735 4.735 365 H ALA 39 HN ALA 39 -1.675 1.173 1.173 366 HA ALA 39 HA ALA 39 -2.910 0.531 0.531 367 1HB ALA 39 HB2 ALA 39 -3.041 -1.598 -1.598 368 2HB ALA 39 HB1 ALA 39 -3.993 -0.744 -0.744 369 3HB ALA 39 HB3 ALA 39 -4.622 -0.926 -0.926 370 H GLU 40 HN GLU 40 -5.457 0.827 0.827 371 HA GLU 40 HA GLU 40 -5.856 3.102 3.102 372 1HB GLU 40 HB2 GLU 40 -5.205 4.616 4.616 373 2HB GLU 40 HB1 GLU 40 -4.872 3.393 3.393 374 1HG GLU 40 HG2 GLU 40 -7.439 3.579 3.579 375 2HG GLU 40 HG1 GLU 40 -7.347 5.087 5.087 376 H LEU 41 HN LEU 41 -7.804 3.431 3.431 377 HA LEU 41 HA LEU 41 -9.952 1.775 1.775 378 1HB LEU 41 HB2 LEU 41 -9.571 2.946 2.946 379 2HB LEU 41 HB1 LEU 41 -11.232 2.780 2.780 380 HG LEU 41 HG LEU 41 -9.290 0.537 0.537 381 1HD1 LEU 41 HD13 LEU 41 -10.896 1.367 1.367 382 2HD1 LEU 41 HD12 LEU 41 -10.424 -0.311 -0.311 383 3HD1 LEU 41 HD11 LEU 41 -9.189 0.934 0.934 384 1HD2 LEU 41 HD23 LEU 41 -11.441 0.561 0.561 385 2HD2 LEU 41 HD22 LEU 41 -11.369 -0.755 -0.755 386 3HD2 LEU 41 HD21 LEU 41 -12.298 0.699 0.699 387 H ASN 42 HN ASN 42 -10.522 2.749 2.749 388 HA ASN 42 HA ASN 42 -11.475 4.391 4.391 389 1HB ASN 42 HB2 ASN 42 -13.091 3.988 3.988 390 2HB ASN 42 HB1 ASN 42 -13.569 5.302 5.302 391 1HD2 ASN 42 HD22 ASN 42 -14.769 1.690 1.690 392 2HD2 ASN 42 HD21 ASN 42 -14.441 2.242 2.242 393 H GLY 43 HN GLY 43 -9.404 5.628 5.628 394 1HA GLY 43 HA2 GLY 43 -9.337 8.248 8.248 395 2HA GLY 43 HA1 GLY 43 -10.549 8.280 8.280 396 H LYS 44 HN LYS 44 -9.452 6.377 6.377 397 HA LYS 44 HA LYS 44 -7.277 7.882 7.882 398 1HB LYS 44 HB2 LYS 44 -8.982 5.606 5.606 399 2HB LYS 44 HB1 LYS 44 -7.378 5.809 5.809 400 1HG LYS 44 HG2 LYS 44 -8.972 7.039 7.039 401 2HG LYS 44 HG1 LYS 44 -7.918 8.171 8.171 402 1HD LYS 44 HD2 LYS 44 -10.280 8.901 8.901 403 2HD LYS 44 HD1 LYS 44 -9.658 8.492 8.492 404 1HE LYS 44 HE2 LYS 44 -10.761 6.356 6.356 405 2HE LYS 44 HE1 LYS 44 -11.197 6.538 6.538 406 1HZ LYS 44 HZ1 LYS 44 -12.150 8.271 8.271 407 2HZ LYS 44 HZ3 LYS 44 -13.055 7.045 7.045 408 3HZ LYS 44 HZ2 LYS 44 -12.587 8.414 8.414 409 H ASP 45 HN ASP 45 -5.348 6.747 6.747 410 HA ASP 45 HA ASP 45 -4.713 4.475 4.475 411 1HB ASP 45 HB2 ASP 45 -2.968 6.893 6.893 412 2HB ASP 45 HB1 ASP 45 -2.941 5.518 5.518 413 H GLY 46 HN GLY 46 -2.235 3.923 3.923 414 1HA GLY 46 HA2 GLY 46 -0.409 4.366 4.366 415 2HA GLY 46 HA1 GLY 46 -1.678 4.313 4.313 416 H PHE 47 HN PHE 47 0.477 2.707 2.707 417 HA PHE 47 HA PHE 47 0.330 0.113 0.113 418 1HB PHE 47 HB2 PHE 47 1.484 0.944 0.944 419 2HB PHE 47 HB1 PHE 47 1.855 -0.546 -0.546 420 HD1 PHE 47 HD2 PHE 47 2.411 -0.021 -0.021 421 HD2 PHE 47 HD1 PHE 47 3.093 2.604 2.604 422 HE1 PHE 47 HE2 PHE 47 4.152 1.175 1.175 423 HE2 PHE 47 HE1 PHE 47 4.835 3.801 3.801 424 HZ PHE 47 HZ PHE 47 5.365 3.086 3.086 425 H ILE 48 HN ILE 48 -0.181 -1.929 -1.929 426 HA ILE 48 HA ILE 48 -2.004 -1.694 -1.694 427 HB ILE 48 HB ILE 48 -3.759 -3.090 -3.090 428 1HG1 ILE 48 HG12 ILE 48 -2.255 -2.194 -2.194 429 2HG1 ILE 48 HG11 ILE 48 -2.228 -3.839 -3.839 430 1HG2 ILE 48 HG21 ILE 48 -3.667 -0.473 -0.473 431 2HG2 ILE 48 HG23 ILE 48 -3.420 -0.500 -0.500 432 3HG2 ILE 48 HG22 ILE 48 -4.881 -1.201 -1.201 433 1HD1 ILE 48 HD11 ILE 48 -4.893 -3.455 -3.455 434 2HD1 ILE 48 HD13 ILE 48 -4.406 -2.372 -2.372 435 3HD1 ILE 48 HD12 ILE 48 -3.978 -4.082 -4.082 436 HA PRO 49 HA PRO 49 0.285 -5.406 -5.406 437 1HB PRO 49 HB2 PRO 49 -1.255 -6.538 -6.538 438 2HB PRO 49 HB1 PRO 49 -0.068 -5.243 -5.243 439 1HG PRO 49 HG2 PRO 49 -3.068 -5.067 -5.067 440 2HG PRO 49 HG1 PRO 49 -1.923 -4.048 -4.048 441 1HD PRO 49 HD2 PRO 49 -3.132 -3.312 -3.312 442 2HD PRO 49 HD1 PRO 49 -1.695 -2.572 -2.572 443 H LYS 50 HN LYS 50 0.220 -6.893 -6.893 444 HA LYS 50 HA LYS 50 -1.993 -7.910 -7.910 445 1HB LYS 50 HB2 LYS 50 0.344 -8.022 -8.022 446 2HB LYS 50 HB1 LYS 50 0.669 -9.196 -9.196 447 1HG LYS 50 HG2 LYS 50 -1.028 -10.698 -10.698 448 2HG LYS 50 HG1 LYS 50 -1.113 -9.545 -9.545 449 1HD LYS 50 HD2 LYS 50 1.179 -9.851 -9.851 450 2HD LYS 50 HD1 LYS 50 1.527 -10.631 -10.631 451 1HE LYS 50 HE2 LYS 50 -0.534 -11.935 -11.935 452 2HE LYS 50 HE1 LYS 50 1.132 -12.024 -12.024 453 1HZ LYS 50 HZ3 LYS 50 0.406 -12.689 -12.689 454 2HZ LYS 50 HZ2 LYS 50 0.338 -13.849 -13.849 455 3HZ LYS 50 HZ1 LYS 50 1.814 -13.102 -13.102 456 H ASN 51 HN ASN 51 -0.987 -8.844 -8.844 457 HA ASN 51 HA ASN 51 -1.929 -11.465 -11.465 458 1HB ASN 51 HB2 ASN 51 -1.205 -9.472 -9.472 459 2HB ASN 51 HB1 ASN 51 -2.163 -10.798 -10.798 460 1HD2 ASN 51 HD22 ASN 51 1.404 -11.888 -11.888 461 2HD2 ASN 51 HD21 ASN 51 0.422 -10.738 -10.738 462 H TYR 52 HN TYR 52 -3.481 -8.432 -8.432 463 HA TYR 52 HA TYR 52 -6.085 -9.645 -9.645 464 1HB TYR 52 HB2 TYR 52 -5.211 -6.755 -6.755 465 2HB TYR 52 HB1 TYR 52 -6.829 -7.254 -7.254 466 HD1 TYR 52 HD1 TYR 52 -3.318 -7.984 -7.984 467 HD2 TYR 52 HD2 TYR 52 -7.349 -7.014 -7.014 468 HE1 TYR 52 HE1 TYR 52 -2.687 -7.878 -7.878 469 HE2 TYR 52 HE2 TYR 52 -6.710 -6.907 -6.907 470 HH TYR 52 HH TYR 52 -3.840 -6.494 -6.494 471 H ILE 53 HN ILE 53 -4.585 -9.926 -9.926 472 HA ILE 53 HA ILE 53 -6.716 -9.082 -9.082 473 HB ILE 53 HB ILE 53 -4.116 -8.250 -8.250 474 1HG1 ILE 53 HG12 ILE 53 -5.607 -6.441 -6.441 475 2HG1 ILE 53 HG11 ILE 53 -4.182 -7.362 -7.362 476 1HG2 ILE 53 HG22 ILE 53 -6.947 -7.368 -7.368 477 2HG2 ILE 53 HG21 ILE 53 -5.661 -6.272 -6.272 478 3HG2 ILE 53 HG23 ILE 53 -5.834 -7.818 -7.818 479 1HD1 ILE 53 HD12 ILE 53 -3.976 -5.813 -5.813 480 2HD1 ILE 53 HD11 ILE 53 -4.042 -4.882 -4.882 481 3HD1 ILE 53 HD13 ILE 53 -2.773 -6.079 -6.079 482 H GLU 54 HN GLU 54 -6.285 -9.656 -9.656 483 HA GLU 54 HA GLU 54 -4.369 -11.724 -11.724 484 1HB GLU 54 HB2 GLU 54 -7.224 -12.206 -12.206 485 2HB GLU 54 HB1 GLU 54 -6.555 -12.742 -12.742 486 1HG GLU 54 HG2 GLU 54 -5.069 -14.246 -14.246 487 2HG GLU 54 HG1 GLU 54 -5.183 -13.435 -13.435 488 H MET 55 HN MET 55 -4.017 -11.945 -11.945 489 HA MET 55 HA MET 55 -4.595 -9.390 -9.390 490 1HB MET 55 HB2 MET 55 -2.272 -10.342 -10.342 491 2HB MET 55 HB1 MET 55 -2.807 -11.646 -11.646 492 1HG MET 55 HG2 MET 55 -3.669 -9.625 -9.625 493 2HG MET 55 HG1 MET 55 -2.416 -8.745 -8.745 494 1HE MET 55 HE2 MET 55 -0.179 -8.574 -8.574 495 2HE MET 55 HE1 MET 55 0.043 -9.952 -9.952 496 3HE MET 55 HE3 MET 55 0.845 -9.916 -9.916 497 H LYS 56 HN LYS 56 -6.499 -9.362 -9.362 498 HA LYS 56 HA LYS 56 -7.230 -11.722 -11.722 499 1HB LYS 56 HB2 LYS 56 -8.708 -9.484 -9.484 500 2HB LYS 56 HB1 LYS 56 -9.322 -10.185 -10.185 501 1HG LYS 56 HG2 LYS 56 -9.428 -12.374 -12.374 502 2HG LYS 56 HG1 LYS 56 -8.525 -11.834 -11.834 503 1HD LYS 56 HD2 LYS 56 -10.949 -12.015 -12.015 504 2HD LYS 56 HD1 LYS 56 -10.387 -10.352 -10.352 505 1HE LYS 56 HE2 LYS 56 -12.485 -10.347 -10.347 506 2HE LYS 56 HE1 LYS 56 -11.181 -9.941 -9.941 507 1HZ LYS 56 HZ1 LYS 56 -12.000 -12.748 -12.748 508 2HZ LYS 56 HZ3 LYS 56 -12.921 -11.722 -11.722 509 3HZ LYS 56 HZ2 LYS 56 -11.281 -11.990 -11.990 510 HA PRO 57 HA PRO 57 -6.223 -9.739 -9.739 511 1HB PRO 57 HB2 PRO 57 -7.251 -11.542 -11.542 512 2HB PRO 57 HB1 PRO 57 -5.735 -11.792 -11.792 513 1HG PRO 57 HG2 PRO 57 -8.385 -13.010 -13.010 514 2HG PRO 57 HG1 PRO 57 -6.794 -13.604 -13.604 515 1HD PRO 57 HD2 PRO 57 -8.662 -12.357 -12.357 516 2HD PRO 57 HD1 PRO 57 -6.975 -12.777 -12.777 517 H HIS 58 HN HIS 58 -7.486 -9.412 -9.412 518 HA HIS 58 HA HIS 58 -10.292 -9.348 -9.348 519 1HB HIS 58 HB2 HIS 58 -10.835 -6.978 -6.978 520 2HB HIS 58 HB1 HIS 58 -10.156 -7.669 -7.669 521 HD1 HIS 58 HD1 HIS 58 -9.189 -5.481 -5.481 522 HD2 HIS 58 HD2 HIS 58 -7.808 -6.432 -6.432 523 HE1 HIS 58 HE1 HIS 58 -7.295 -3.877 -3.877 524 HA PRO 59 HA PRO 59 -8.626 -8.455 -8.455 525 1HB PRO 59 HB2 PRO 59 -10.956 -8.726 -8.726 526 2HB PRO 59 HB1 PRO 59 -9.989 -10.098 -10.098 527 1HG PRO 59 HG2 PRO 59 -12.586 -9.071 -9.071 528 2HG PRO 59 HG1 PRO 59 -11.907 -10.705 -10.705 529 1HD PRO 59 HD2 PRO 59 -11.919 -8.793 -8.793 530 2HD PRO 59 HD1 PRO 59 -10.980 -10.300 -10.300 531 H GLU 60 HN GLU 60 -8.632 -6.680 -6.680 532 HA GLU 60 HA GLU 60 -10.019 -4.268 -4.268 533 1HB GLU 60 HB2 GLU 60 -7.592 -4.198 -4.198 534 2HB GLU 60 HB1 GLU 60 -8.031 -4.557 -4.557 535 1HG GLU 60 HG2 GLU 60 -9.655 -2.362 -2.362 536 2HG GLU 60 HG1 GLU 60 -7.964 -2.006 -2.006 537 H PHE 61 HN PHE 61 -12.185 -4.719 -4.719 538 HA PHE 61 HA PHE 61 -12.592 -4.627 -4.627 539 1HB PHE 61 HB2 PHE 61 -13.819 -6.334 -6.334 540 2HB PHE 61 HB1 PHE 61 -14.934 -5.675 -5.675 541 HD1 PHE 61 HD1 PHE 61 -11.492 -7.190 -7.190 542 HD2 PHE 61 HD2 PHE 61 -15.284 -6.945 -6.945 543 HE1 PHE 61 HE1 PHE 61 -10.728 -8.875 -8.875 544 HE2 PHE 61 HE2 PHE 61 -14.520 -8.630 -8.630 545 HZ PHE 61 HZ PHE 61 -12.242 -9.595 -9.595 546 H ILE 62 HN ILE 62 -12.661 -2.300 -2.300 547 HA ILE 62 HA ILE 62 -15.284 -1.297 -1.297 548 HB ILE 62 HB ILE 62 -14.115 0.777 0.777 549 1HG1 ILE 62 HG12 ILE 62 -11.530 -0.291 -0.291 550 2HG1 ILE 62 HG11 ILE 62 -11.846 -0.599 -0.599 551 1HG2 ILE 62 HG22 ILE 62 -13.332 -1.853 -1.853 552 2HG2 ILE 62 HG21 ILE 62 -13.297 -0.281 -0.281 553 3HG2 ILE 62 HG23 ILE 62 -14.833 -0.969 -0.969 554 1HD1 ILE 62 HD12 ILE 62 -12.644 2.093 2.093 555 2HD1 ILE 62 HD11 ILE 62 -10.911 1.779 1.779 556 3HD1 ILE 62 HD13 ILE 62 -11.766 1.607 1.607 557 H VAL 63 HN VAL 63 -16.155 -0.880 -0.880 558 HA VAL 63 HA VAL 63 -14.550 0.844 0.844 559 HB VAL 63 HB VAL 63 -16.858 -0.986 -0.986 560 1HG1 VAL 63 HG13 VAL 63 -15.039 0.871 0.871 561 2HG1 VAL 63 HG12 VAL 63 -15.507 -0.628 -0.628 562 3HG1 VAL 63 HG11 VAL 63 -16.743 0.515 0.515 563 1HG2 VAL 63 HG22 VAL 63 -13.860 -1.405 -1.405 564 2HG2 VAL 63 HG21 VAL 63 -15.093 -2.435 -2.435 565 3HG2 VAL 63 HG23 VAL 63 -14.948 -2.343 -2.343 566 H THR 64 HN THR 64 -16.219 1.731 1.731 567 HA THR 64 HA THR 64 -18.311 3.238 3.238 568 HB THR 64 HB THR 64 -19.433 3.432 3.432 569 HG1 THR 64 HG1 THR 64 -18.804 1.766 1.766 570 1HG2 THR 64 HG22 THR 64 -19.980 1.796 1.796 571 2HG2 THR 64 HG21 THR 64 -19.226 0.574 0.574 572 3HG2 THR 64 HG23 THR 64 -20.646 1.450 1.450 573 H ASP 65 HN ASP 65 -18.252 5.461 5.461 574 HA ASP 65 HA ASP 65 -16.008 6.596 6.596 575 1HB ASP 65 HB2 ASP 65 -16.498 7.044 7.044 576 2HB ASP 65 HB1 ASP 65 -17.633 8.228 8.228 577 1H SER 1 HT1 SER 1 -9.438 -12.167 -12.167 578 2H SER 1 HT3 SER 1 -10.994 -11.724 -11.724 579 3H SER 1 HT2 SER 1 -10.667 -13.337 -13.337 580 HA SER 1 HA SER 1 -10.624 -13.441 -13.441 581 1HB SER 1 HB2 SER 1 -9.437 -10.681 -10.681 582 2HB SER 1 HB1 SER 1 -9.296 -11.602 -11.602 583 HG SER 1 HG SER 1 -11.177 -10.274 -10.274 584 HA PRO 2 HA PRO 2 -6.611 -15.293 -15.293 585 1HB PRO 2 HB2 PRO 2 -6.264 -15.906 -15.906 586 2HB PRO 2 HB1 PRO 2 -7.349 -16.805 -16.805 587 1HG PRO 2 HG2 PRO 2 -8.035 -14.835 -14.835 588 2HG PRO 2 HG1 PRO 2 -9.001 -16.178 -16.178 589 1HD PRO 2 HD2 PRO 2 -9.328 -13.443 -13.443 590 2HD PRO 2 HD1 PRO 2 -10.043 -14.818 -14.818 591 H LEU 3 HN LEU 3 -6.970 -13.151 -13.151 592 HA LEU 3 HA LEU 3 -4.553 -11.660 -11.660 593 1HB LEU 3 HB2 LEU 3 -4.590 -13.628 -13.628 594 2HB LEU 3 HB1 LEU 3 -4.145 -12.026 -12.026 595 HG LEU 3 HG LEU 3 -2.875 -13.291 -13.291 596 1HD1 LEU 3 HD11 LEU 3 -2.505 -14.612 -14.612 597 2HD1 LEU 3 HD13 LEU 3 -1.738 -13.176 -13.176 598 3HD1 LEU 3 HD12 LEU 3 -1.034 -13.970 -13.970 599 1HD2 LEU 3 HD22 LEU 3 -2.510 -10.798 -10.798 600 2HD2 LEU 3 HD21 LEU 3 -2.370 -11.036 -11.036 601 3HD2 LEU 3 HD23 LEU 3 -1.068 -11.559 -11.559 602 H LEU 4 HN LEU 4 -4.763 -9.515 -9.515 603 HA LEU 4 HA LEU 4 -5.991 -8.393 -8.393 604 1HB LEU 4 HB2 LEU 4 -7.970 -9.498 -9.498 605 2HB LEU 4 HB1 LEU 4 -8.040 -7.760 -7.760 606 HG LEU 4 HG LEU 4 -7.749 -8.303 -8.303 607 1HD1 LEU 4 HD13 LEU 4 -8.969 -10.423 -10.423 608 2HD1 LEU 4 HD12 LEU 4 -10.335 -9.344 -9.344 609 3HD1 LEU 4 HD11 LEU 4 -9.690 -9.552 -9.552 610 1HD2 LEU 4 HD23 LEU 4 -9.731 -6.906 -6.906 611 2HD2 LEU 4 HD22 LEU 4 -8.586 -6.193 -6.193 612 3HD2 LEU 4 HD21 LEU 4 -10.013 -7.040 -7.040 613 HA PRO 5 HA PRO 5 -5.436 -4.993 -4.993 614 1HB PRO 5 HB2 PRO 5 -5.113 -5.668 -5.668 615 2HB PRO 5 HB1 PRO 5 -6.695 -5.387 -5.387 616 1HG PRO 5 HG2 PRO 5 -5.450 -7.966 -7.966 617 2HG PRO 5 HG1 PRO 5 -7.163 -7.566 -7.566 618 1HD PRO 5 HD2 PRO 5 -5.516 -9.004 -9.004 619 2HD PRO 5 HD1 PRO 5 -7.165 -8.423 -8.423 620 H LYS 6 HN LYS 6 -3.295 -6.614 -6.614 621 HA LYS 6 HA LYS 6 -0.975 -5.424 -5.424 622 1HB LYS 6 HB2 LYS 6 -1.839 -7.788 -7.788 623 2HB LYS 6 HB1 LYS 6 -0.231 -8.020 -8.020 624 1HG LYS 6 HG2 LYS 6 0.689 -6.256 -6.256 625 2HG LYS 6 HG1 LYS 6 -0.860 -5.429 -5.429 626 1HD LYS 6 HD2 LYS 6 -1.628 -7.210 -7.210 627 2HD LYS 6 HD1 LYS 6 -0.053 -7.993 -7.993 628 1HE LYS 6 HE2 LYS 6 -0.005 -6.666 -6.666 629 2HE LYS 6 HE1 LYS 6 0.986 -5.831 -5.831 630 1HZ LYS 6 HZ2 LYS 6 -1.863 -5.223 -5.223 631 2HZ LYS 6 HZ1 LYS 6 -0.539 -4.330 -4.330 632 3HZ LYS 6 HZ3 LYS 6 -0.858 -4.387 -4.387 633 H LEU 7 HN LEU 7 0.899 -5.999 -5.999 634 HA LEU 7 HA LEU 7 0.503 -8.074 -8.074 635 1HB LEU 7 HB2 LEU 7 0.955 -5.171 -5.171 636 2HB LEU 7 HB1 LEU 7 2.056 -6.169 -6.169 637 HG LEU 7 HG LEU 7 0.012 -5.612 -5.612 638 1HD1 LEU 7 HD11 LEU 7 1.248 -7.862 -7.862 639 2HD1 LEU 7 HD13 LEU 7 -0.106 -8.542 -8.542 640 3HD1 LEU 7 HD12 LEU 7 -0.386 -7.788 -7.788 641 1HD2 LEU 7 HD23 LEU 7 -1.321 -5.826 -5.826 642 2HD2 LEU 7 HD22 LEU 7 -2.116 -5.929 -5.929 643 3HD2 LEU 7 HD21 LEU 7 -1.685 -7.402 -7.402 644 HA PRO 8 HA PRO 8 4.598 -8.401 -8.401 645 1HB PRO 8 HB2 PRO 8 4.277 -10.957 -10.957 646 2HB PRO 8 HB1 PRO 8 3.793 -9.508 -9.508 647 1HG PRO 8 HG2 PRO 8 2.073 -11.489 -11.489 648 2HG PRO 8 HG1 PRO 8 1.673 -10.438 -10.438 649 1HD PRO 8 HD2 PRO 8 0.956 -9.986 -9.986 650 2HD PRO 8 HD1 PRO 8 0.841 -8.810 -8.810 651 HA PRO 9 HA PRO 9 6.045 -10.777 -10.777 652 1HB PRO 9 HB2 PRO 9 8.738 -10.634 -10.634 653 2HB PRO 9 HB1 PRO 9 7.806 -9.293 -9.293 654 1HG PRO 9 HG2 PRO 9 8.888 -9.592 -9.592 655 2HG PRO 9 HG1 PRO 9 8.484 -8.114 -8.114 656 1HD PRO 9 HD2 PRO 9 6.898 -9.357 -9.357 657 2HD PRO 9 HD1 PRO 9 6.400 -8.026 -8.026 658 H LYS 10 HN LYS 10 8.056 -11.415 -11.415 659 HA LYS 10 HA LYS 10 7.155 -14.104 -14.104 660 1HB LYS 10 HB2 LYS 10 8.607 -14.035 -14.035 661 2HB LYS 10 HB1 LYS 10 9.923 -14.194 -14.194 662 1HG LYS 10 HG2 LYS 10 7.573 -15.976 -15.976 663 2HG LYS 10 HG1 LYS 10 8.604 -16.326 -16.326 664 1HD LYS 10 HD2 LYS 10 10.566 -16.478 -16.478 665 2HD LYS 10 HD1 LYS 10 9.635 -15.954 -15.954 666 1HE LYS 10 HE2 LYS 10 9.768 -18.328 -18.328 667 2HE LYS 10 HE1 LYS 10 8.141 -17.989 -17.989 668 1HZ LYS 10 HZ1 LYS 10 9.251 -18.227 -18.227 669 2HZ LYS 10 HZ3 LYS 10 10.452 -19.074 -19.074 670 3HZ LYS 10 HZ2 LYS 10 8.846 -19.624 -19.624 671 H THR 11 HN THR 11 7.275 -13.210 -13.210 672 HA THR 11 HA THR 11 8.315 -12.914 -12.914 673 HB THR 11 HB THR 11 10.932 -13.963 -13.963 674 HG1 THR 11 HG1 THR 11 8.598 -15.568 -15.568 675 1HG2 THR 11 HG23 THR 11 9.683 -13.630 -13.630 676 2HG2 THR 11 HG22 THR 11 9.453 -15.349 -15.349 677 3HG2 THR 11 HG21 THR 11 11.079 -14.668 -14.668 678 H TYR 12 HN TYR 12 10.467 -11.880 -11.880 679 HA TYR 12 HA TYR 12 10.719 -9.255 -9.255 680 1HB TYR 12 HB2 TYR 12 12.548 -10.736 -10.736 681 2HB TYR 12 HB1 TYR 12 12.604 -9.002 -9.002 682 HD1 TYR 12 HD2 TYR 12 9.964 -8.024 -8.024 683 HD2 TYR 12 HD1 TYR 12 11.548 -11.231 -11.231 684 HE1 TYR 12 HE2 TYR 12 8.172 -7.667 -7.667 685 HE2 TYR 12 HE1 TYR 12 9.757 -10.873 -10.873 686 HH TYR 12 HH TYR 12 7.006 -9.111 -9.111 687 H LYS 13 HN LYS 13 12.396 -8.319 -8.319 688 HA LYS 13 HA LYS 13 14.801 -9.658 -9.658 689 1HB LYS 13 HB2 LYS 13 12.808 -10.952 -10.952 690 2HB LYS 13 HB1 LYS 13 12.895 -9.596 -9.596 691 1HG LYS 13 HG2 LYS 13 14.389 -11.166 -11.166 692 2HG LYS 13 HG1 LYS 13 15.446 -10.066 -10.066 693 1HD LYS 13 HD2 LYS 13 14.926 -11.792 -11.792 694 2HD LYS 13 HD1 LYS 13 14.697 -12.885 -12.885 695 1HE LYS 13 HE2 LYS 13 16.921 -12.353 -12.353 696 2HE LYS 13 HE1 LYS 13 17.153 -11.161 -11.161 697 1HZ LYS 13 HZ3 LYS 13 16.602 -14.020 -14.020 698 2HZ LYS 13 HZ2 LYS 13 18.175 -13.395 -13.395 699 3HZ LYS 13 HZ1 LYS 13 17.141 -12.841 -12.841 700 H ARG 14 HN ARG 14 12.319 -7.682 -7.682 701 HA ARG 14 HA ARG 14 14.299 -5.452 -5.452 702 1HB ARG 14 HB2 ARG 14 12.844 -6.773 -6.773 703 2HB ARG 14 HB1 ARG 14 13.168 -5.042 -5.042 704 1HG ARG 14 HG2 ARG 14 15.284 -7.138 -7.138 705 2HG ARG 14 HG1 ARG 14 14.976 -6.448 -6.448 706 1HD ARG 14 HD2 ARG 14 15.200 -4.183 -4.183 707 2HD ARG 14 HD1 ARG 14 16.346 -5.261 -5.261 708 HE ARG 14 HE ARG 14 17.734 -5.078 -5.078 709 1HH1 ARG 14 HH21 ARG 14 15.369 -2.831 -2.831 710 2HH1 ARG 14 HH22 ARG 14 15.336 -2.844 -2.844 711 1HH2 ARG 14 HH11 ARG 14 17.325 -5.671 -5.671 712 2HH2 ARG 14 HH12 ARG 14 16.444 -4.451 -4.451 713 H GLU 15 HN GLU 15 10.939 -6.127 -6.127 714 HA GLU 15 HA GLU 15 10.114 -3.651 -3.651 715 1HB GLU 15 HB2 GLU 15 9.053 -4.907 -4.907 716 2HB GLU 15 HB1 GLU 15 8.173 -3.661 -3.661 717 1HG GLU 15 HG2 GLU 15 10.481 -2.381 -2.381 718 2HG GLU 15 HG1 GLU 15 10.761 -3.449 -3.449 Start of MODEL 29 1 1H GLY -8 HT2 GLY -8 3.411 -11.134 -11.134 2 2H GLY -8 HT1 GLY -8 5.024 -11.155 -11.155 3 3H GLY -8 HT3 GLY -8 4.622 -11.895 -11.895 4 1HA GLY -8 HA1 GLY -8 4.013 -9.546 -9.546 5 2HA GLY -8 HA2 GLY -8 5.745 -9.966 -9.966 6 H SER -7 HN SER -7 6.252 -8.593 -8.593 7 HA SER -7 HA SER -7 6.134 -6.529 -6.529 8 1HB SER -7 HB2 SER -7 3.423 -7.610 -7.610 9 2HB SER -7 HB1 SER -7 3.433 -5.852 -5.852 10 HG SER -7 HG SER -7 4.970 -6.114 -6.114 11 H ARG -6 HN ARG -6 7.142 -5.581 -5.581 12 HA ARG -6 HA ARG -6 5.630 -4.502 -4.502 13 1HB ARG -6 HB2 ARG -6 8.427 -4.535 -4.535 14 2HB ARG -6 HB1 ARG -6 7.982 -3.123 -3.123 15 1HG ARG -6 HG2 ARG -6 8.478 -4.546 -4.546 16 2HG ARG -6 HG1 ARG -6 6.795 -5.009 -5.009 17 1HD ARG -6 HD2 ARG -6 7.397 -7.094 -7.094 18 2HD ARG -6 HD1 ARG -6 8.488 -6.482 -6.482 19 HE ARG -6 HE ARG -6 10.290 -6.580 -6.580 20 1HH1 ARG -6 HH11 ARG -6 8.634 -5.726 -5.726 21 2HH1 ARG -6 HH12 ARG -6 8.636 -7.175 -7.175 22 1HH2 ARG -6 HH21 ARG -6 9.710 -9.199 -9.199 23 2HH2 ARG -6 HH22 ARG -6 9.269 -9.126 -9.126 24 H ARG -5 HN ARG -5 6.388 -2.019 -2.019 25 HA ARG -5 HA ARG -5 5.930 0.223 0.223 26 1HB ARG -5 HB2 ARG -5 6.958 -0.716 -0.716 27 2HB ARG -5 HB1 ARG -5 5.496 0.187 0.187 28 1HG ARG -5 HG2 ARG -5 6.933 1.982 1.982 29 2HG ARG -5 HG1 ARG -5 6.559 1.874 1.874 30 1HD ARG -5 HD2 ARG -5 8.701 1.361 1.361 31 2HD ARG -5 HD1 ARG -5 8.698 0.028 0.028 32 HE ARG -5 HE ARG -5 9.452 2.844 2.844 33 1HH1 ARG -5 HH21 ARG -5 8.636 -0.198 -0.198 34 2HH1 ARG -5 HH22 ARG -5 9.932 -0.190 -0.190 35 1HH2 ARG -5 HH11 ARG -5 11.364 2.733 2.733 36 2HH2 ARG -5 HH12 ARG -5 11.462 1.472 1.472 37 H ALA -4 HN ALA -4 3.979 0.705 0.705 38 HA ALA -4 HA ALA -4 1.604 0.288 0.288 39 1HB ALA -4 HB3 ALA -4 2.167 -1.124 -1.124 40 2HB ALA -4 HB2 ALA -4 0.533 -0.490 -0.490 41 3HB ALA -4 HB1 ALA -4 1.182 -1.641 -1.641 42 H SER -3 HN SER -3 0.098 1.953 1.953 43 HA SER -3 HA SER -3 0.972 4.232 4.232 44 1HB SER -3 HB2 SER -3 -1.658 3.734 3.734 45 2HB SER -3 HB1 SER -3 -1.160 5.270 5.270 46 HG SER -3 HG SER -3 0.270 3.828 3.828 47 H VAL -2 HN VAL -2 -2.304 2.745 2.745 48 HA VAL -2 HA VAL -2 -1.923 2.603 2.603 49 HB VAL -2 HB VAL -2 -4.722 3.064 3.064 50 1HG1 VAL -2 HG11 VAL -2 -2.435 4.464 4.464 51 2HG1 VAL -2 HG13 VAL -2 -3.984 5.298 5.298 52 3HG1 VAL -2 HG12 VAL -2 -3.879 3.745 3.745 53 1HG2 VAL -2 HG23 VAL -2 -2.938 4.971 4.971 54 2HG2 VAL -2 HG22 VAL -2 -4.422 4.190 4.190 55 3HG2 VAL -2 HG21 VAL -2 -4.494 5.487 5.487 56 H GLY -1 HN GLY -1 -2.156 0.602 0.602 57 1HA GLY -1 HA2 GLY -1 -4.390 -1.065 -1.065 58 2HA GLY -1 HA1 GLY -1 -2.844 -1.678 -1.678 59 H SER 0 HN SER 0 -4.728 -0.943 -0.943 60 HA SER 0 HA SER 0 -2.670 -2.396 -2.396 61 1HB SER 0 HB2 SER 0 -4.118 -1.184 -1.184 62 2HB SER 0 HB1 SER 0 -2.813 -0.340 -0.340 63 HG SER 0 HG SER 0 -4.316 1.003 1.003 64 H MET 1 HN MET 1 -3.706 -3.560 -3.560 65 HA MET 1 HA MET 1 -6.327 -4.737 -4.737 66 1HB MET 1 HB2 MET 1 -3.780 -6.066 -6.066 67 2HB MET 1 HB1 MET 1 -5.263 -6.791 -6.791 68 1HG MET 1 HG2 MET 1 -5.214 -7.829 -7.829 69 2HG MET 1 HG1 MET 1 -6.042 -6.359 -6.359 70 1HE MET 1 HE2 MET 1 -5.598 -6.037 -6.037 71 2HE MET 1 HE1 MET 1 -4.092 -6.266 -6.266 72 3HE MET 1 HE3 MET 1 -4.927 -7.656 -7.656 73 H GLU 2 HN GLU 2 -6.857 -6.217 -6.217 74 HA GLU 2 HA GLU 2 -6.906 -4.100 -4.100 75 1HB GLU 2 HB2 GLU 2 -9.006 -5.420 -5.420 76 2HB GLU 2 HB1 GLU 2 -9.106 -5.932 -5.932 77 1HG GLU 2 HG2 GLU 2 -9.487 -3.757 -3.757 78 2HG GLU 2 HG1 GLU 2 -8.763 -3.031 -3.031 79 H ALA 3 HN ALA 3 -7.723 -5.341 -5.341 80 HA ALA 3 HA ALA 3 -6.672 -8.026 -8.026 81 1HB ALA 3 HB2 ALA 3 -5.316 -5.625 -5.625 82 2HB ALA 3 HB1 ALA 3 -5.134 -7.242 -7.242 83 3HB ALA 3 HB3 ALA 3 -4.621 -6.922 -6.922 84 H ILE 4 HN ILE 4 -8.138 -8.927 -8.927 85 HA ILE 4 HA ILE 4 -10.183 -7.651 -7.651 86 HB ILE 4 HB ILE 4 -10.403 -9.892 -9.892 87 1HG1 ILE 4 HG12 ILE 4 -10.355 -10.626 -10.626 88 2HG1 ILE 4 HG11 ILE 4 -11.098 -9.043 -9.043 89 1HG2 ILE 4 HG21 ILE 4 -7.772 -10.203 -10.203 90 2HG2 ILE 4 HG23 ILE 4 -8.689 -11.180 -11.180 91 3HG2 ILE 4 HG22 ILE 4 -8.840 -11.482 -11.482 92 1HD1 ILE 4 HD11 ILE 4 -11.791 -11.535 -11.535 93 2HD1 ILE 4 HD13 ILE 4 -12.703 -10.921 -10.921 94 3HD1 ILE 4 HD12 ILE 4 -12.596 -9.972 -9.972 95 H ALA 5 HN ALA 5 -10.313 -6.749 -6.749 96 HA ALA 5 HA ALA 5 -7.967 -6.790 -6.790 97 1HB ALA 5 HB3 ALA 5 -10.616 -5.368 -5.368 98 2HB ALA 5 HB2 ALA 5 -9.836 -5.607 -5.607 99 3HB ALA 5 HB1 ALA 5 -8.995 -4.730 -4.730 100 H LYS 6 HN LYS 6 -7.850 -8.891 -8.891 101 HA LYS 6 HA LYS 6 -9.692 -10.801 -10.801 102 1HB LYS 6 HB2 LYS 6 -7.016 -10.607 -10.607 103 2HB LYS 6 HB1 LYS 6 -7.394 -10.545 -10.545 104 1HG LYS 6 HG2 LYS 6 -8.037 -12.682 -12.682 105 2HG LYS 6 HG1 LYS 6 -8.807 -12.632 -12.632 106 1HD LYS 6 HD2 LYS 6 -6.681 -12.881 -12.881 107 2HD LYS 6 HD1 LYS 6 -5.786 -12.611 -12.611 108 1HE LYS 6 HE2 LYS 6 -5.832 -15.016 -15.016 109 2HE LYS 6 HE1 LYS 6 -6.760 -14.706 -14.706 110 1HZ LYS 6 HZ3 LYS 6 -8.560 -14.454 -14.454 111 2HZ LYS 6 HZ2 LYS 6 -7.599 -15.779 -15.779 112 3HZ LYS 6 HZ1 LYS 6 -8.397 -15.772 -15.772 113 H TYR 7 HN TYR 7 -8.869 -8.093 -8.093 114 HA TYR 7 HA TYR 7 -11.229 -8.724 -8.724 115 1HB TYR 7 HB2 TYR 7 -8.617 -8.169 -8.169 116 2HB TYR 7 HB1 TYR 7 -10.102 -8.812 -8.812 117 HD1 TYR 7 HD2 TYR 7 -10.729 -11.183 -11.183 118 HD2 TYR 7 HD1 TYR 7 -7.014 -9.562 -9.562 119 HE1 TYR 7 HE2 TYR 7 -9.830 -13.488 -13.488 120 HE2 TYR 7 HE1 TYR 7 -6.102 -11.853 -11.853 121 HH TYR 7 HH TYR 7 -7.750 -14.446 -14.446 122 H ASP 8 HN ASP 8 -11.045 -6.944 -6.944 123 HA ASP 8 HA ASP 8 -11.249 -4.381 -4.381 124 1HB ASP 8 HB2 ASP 8 -12.128 -5.607 -5.607 125 2HB ASP 8 HB1 ASP 8 -11.250 -4.131 -4.131 126 H PHE 9 HN PHE 9 -10.154 -2.498 -2.498 127 HA PHE 9 HA PHE 9 -7.795 -2.598 -2.598 128 1HB PHE 9 HB2 PHE 9 -7.282 -3.764 -3.764 129 2HB PHE 9 HB1 PHE 9 -6.737 -2.096 -2.096 130 HD1 PHE 9 HD2 PHE 9 -6.712 -4.549 -4.549 131 HD2 PHE 9 HD1 PHE 9 -4.433 -1.834 -1.834 132 HE1 PHE 9 HE2 PHE 9 -4.677 -5.075 -5.075 133 HE2 PHE 9 HE1 PHE 9 -2.428 -2.322 -2.322 134 HZ PHE 9 HZ PHE 9 -2.553 -3.948 -3.948 135 H LYS 10 HN LYS 10 -6.492 -0.537 -0.537 136 HA LYS 10 HA LYS 10 -7.984 1.566 1.566 137 1HB LYS 10 HB2 LYS 10 -8.135 3.046 3.046 138 2HB LYS 10 HB1 LYS 10 -8.632 1.490 1.490 139 1HG LYS 10 HG2 LYS 10 -6.898 1.455 1.455 140 2HG LYS 10 HG1 LYS 10 -5.735 1.917 1.917 141 1HD LYS 10 HD2 LYS 10 -5.658 3.737 3.737 142 2HD LYS 10 HD1 LYS 10 -6.783 4.292 4.292 143 1HE LYS 10 HE2 LYS 10 -8.265 2.827 2.827 144 2HE LYS 10 HE1 LYS 10 -7.266 4.040 4.040 145 1HZ LYS 10 HZ3 LYS 10 -8.860 4.724 4.724 146 2HZ LYS 10 HZ2 LYS 10 -9.562 4.751 4.751 147 3HZ LYS 10 HZ1 LYS 10 -8.244 5.765 5.765 148 H ALA 11 HN ALA 11 -6.601 3.622 3.622 149 HA ALA 11 HA ALA 11 -4.058 2.766 2.766 150 1HB ALA 11 HB3 ALA 11 -5.326 5.446 5.446 151 2HB ALA 11 HB2 ALA 11 -3.613 5.284 5.284 152 3HB ALA 11 HB1 ALA 11 -4.858 4.682 4.682 153 H THR 12 HN THR 12 -2.336 2.329 2.329 154 HA THR 12 HA THR 12 -2.645 4.025 4.025 155 HB THR 12 HB THR 12 -1.062 2.273 2.273 156 HG1 THR 12 HG1 THR 12 0.213 1.861 1.861 157 1HG2 THR 12 HG23 THR 12 -2.444 0.726 0.726 158 2HG2 THR 12 HG22 THR 12 -2.102 -0.045 -0.045 159 3HG2 THR 12 HG21 THR 12 -3.548 0.956 0.956 160 H ALA 13 HN ALA 13 -0.468 3.230 3.230 161 HA ALA 13 HA ALA 13 1.692 4.916 4.916 162 1HB ALA 13 HB3 ALA 13 1.482 3.286 3.286 163 2HB ALA 13 HB2 ALA 13 2.317 4.839 4.839 164 3HB ALA 13 HB1 ALA 13 2.894 3.669 3.669 165 H ASP 14 HN ASP 14 2.359 6.851 6.851 166 HA ASP 14 HA ASP 14 0.058 8.587 8.587 167 1HB ASP 14 HB2 ASP 14 2.486 8.979 8.979 168 2HB ASP 14 HB1 ASP 14 2.765 9.277 9.277 169 H ASP 15 HN ASP 15 1.666 6.545 6.545 170 HA ASP 15 HA ASP 15 0.344 7.816 7.816 171 1HB ASP 15 HB2 ASP 15 2.124 7.132 7.132 172 2HB ASP 15 HB1 ASP 15 2.891 7.754 7.754 173 H GLU 16 HN GLU 16 -0.705 5.795 5.795 174 HA GLU 16 HA GLU 16 -0.792 3.336 3.336 175 1HB GLU 16 HB2 GLU 16 -0.372 3.421 3.421 176 2HB GLU 16 HB1 GLU 16 -2.085 3.794 3.794 177 1HG GLU 16 HG2 GLU 16 -2.723 1.697 1.697 178 2HG GLU 16 HG1 GLU 16 -1.479 1.520 1.520 179 H LEU 17 HN LEU 17 -2.875 2.233 2.233 180 HA LEU 17 HA LEU 17 -5.031 4.154 4.154 181 1HB LEU 17 HB2 LEU 17 -4.097 3.080 3.080 182 2HB LEU 17 HB1 LEU 17 -4.248 1.497 1.497 183 HG LEU 17 HG LEU 17 -6.778 2.037 2.037 184 1HD1 LEU 17 HD12 LEU 17 -6.275 4.478 4.478 185 2HD1 LEU 17 HD11 LEU 17 -6.063 3.822 3.822 186 3HD1 LEU 17 HD13 LEU 17 -7.612 3.658 3.658 187 1HD2 LEU 17 HD22 LEU 17 -5.055 0.940 0.940 188 2HD2 LEU 17 HD21 LEU 17 -6.653 0.395 0.395 189 3HD2 LEU 17 HD23 LEU 17 -6.506 1.653 1.653 190 H SER 18 HN SER 18 -6.796 4.003 4.003 191 HA SER 18 HA SER 18 -7.189 1.795 1.795 192 1HB SER 18 HB2 SER 18 -9.202 3.851 3.851 193 2HB SER 18 HB1 SER 18 -8.632 3.209 3.209 194 HG SER 18 HG SER 18 -7.949 5.400 5.400 195 H PHE 19 HN PHE 19 -8.767 0.151 0.151 196 HA PHE 19 HA PHE 19 -10.859 0.513 0.513 197 1HB PHE 19 HB2 PHE 19 -10.276 -1.461 -1.461 198 2HB PHE 19 HB1 PHE 19 -9.088 -0.167 -0.167 199 HD1 PHE 19 HD1 PHE 19 -9.791 -3.502 -3.502 200 HD2 PHE 19 HD2 PHE 19 -6.862 -0.411 -0.411 201 HE1 PHE 19 HE1 PHE 19 -8.009 -5.074 -5.074 202 HE2 PHE 19 HE2 PHE 19 -5.067 -1.977 -1.977 203 HZ PHE 19 HZ PHE 19 -5.639 -4.316 -4.316 204 H LYS 20 HN LYS 20 -12.118 -1.596 -1.596 205 HA LYS 20 HA LYS 20 -12.640 -2.735 -2.735 206 1HB LYS 20 HB2 LYS 20 -14.426 -2.447 -2.447 207 2HB LYS 20 HB1 LYS 20 -14.927 -3.036 -3.036 208 1HG LYS 20 HG2 LYS 20 -13.598 -0.562 -0.562 209 2HG LYS 20 HG1 LYS 20 -14.681 -0.309 -0.309 210 1HD LYS 20 HD2 LYS 20 -15.534 -1.651 -1.651 211 2HD LYS 20 HD1 LYS 20 -15.724 0.080 0.080 212 1HE LYS 20 HE2 LYS 20 -16.728 -1.370 -1.370 213 2HE LYS 20 HE1 LYS 20 -17.484 -2.007 -2.007 214 1HZ LYS 20 HZ1 LYS 20 -17.280 0.905 0.905 215 2HZ LYS 20 HZ3 LYS 20 -18.621 -0.022 -0.022 216 3HZ LYS 20 HZ2 LYS 20 -18.238 0.135 0.135 217 H ARG 21 HN ARG 21 -13.914 -4.901 -4.901 218 HA ARG 21 HA ARG 21 -12.227 -6.896 -6.896 219 1HB ARG 21 HB2 ARG 21 -13.362 -7.135 -7.135 220 2HB ARG 21 HB1 ARG 21 -14.907 -7.180 -7.180 221 1HG ARG 21 HG2 ARG 21 -14.482 -9.269 -9.269 222 2HG ARG 21 HG1 ARG 21 -12.721 -9.094 -9.094 223 1HD ARG 21 HD2 ARG 21 -13.259 -8.949 -8.949 224 2HD ARG 21 HD1 ARG 21 -14.731 -9.789 -9.789 225 HE ARG 21 HE ARG 21 -12.018 -10.871 -10.871 226 1HH1 ARG 21 HH21 ARG 21 -14.593 -11.308 -11.308 227 2HH1 ARG 21 HH22 ARG 21 -14.868 -12.972 -12.972 228 1HH2 ARG 21 HH11 ARG 21 -12.638 -13.007 -13.007 229 2HH2 ARG 21 HH12 ARG 21 -13.744 -13.934 -13.934 230 H GLY 22 HN GLY 22 -12.468 -6.802 -6.802 231 1HA GLY 22 HA2 GLY 22 -13.774 -7.847 -7.847 232 2HA GLY 22 HA1 GLY 22 -15.228 -7.171 -7.171 233 H ASP 23 HN ASP 23 -13.077 -4.791 -4.791 234 HA ASP 23 HA ASP 23 -13.949 -3.204 -3.204 235 1HB ASP 23 HB2 ASP 23 -12.916 -2.798 -2.798 236 2HB ASP 23 HB1 ASP 23 -11.761 -2.073 -2.073 237 H ILE 24 HN ILE 24 -13.028 -4.121 -4.121 238 HA ILE 24 HA ILE 24 -10.281 -5.013 -5.013 239 HB ILE 24 HB ILE 24 -11.952 -4.689 -4.689 240 1HG1 ILE 24 HG12 ILE 24 -12.059 -6.831 -6.831 241 2HG1 ILE 24 HG11 ILE 24 -13.394 -5.831 -5.831 242 1HG2 ILE 24 HG22 ILE 24 -9.389 -5.422 -5.422 243 2HG2 ILE 24 HG21 ILE 24 -10.163 -6.975 -6.975 244 3HG2 ILE 24 HG23 ILE 24 -10.417 -6.134 -6.134 245 1HD1 ILE 24 HD12 ILE 24 -13.277 -6.900 -6.900 246 2HD1 ILE 24 HD11 ILE 24 -11.958 -7.916 -7.916 247 3HD1 ILE 24 HD13 ILE 24 -13.560 -8.072 -8.072 248 H LEU 25 HN LEU 25 -8.528 -3.991 -3.991 249 HA LEU 25 HA LEU 25 -8.693 -1.117 -1.117 250 1HB LEU 25 HB2 LEU 25 -6.178 -2.734 -2.734 251 2HB LEU 25 HB1 LEU 25 -6.424 -1.034 -1.034 252 HG LEU 25 HG LEU 25 -6.465 -1.919 -1.919 253 1HD1 LEU 25 HD12 LEU 25 -9.354 -2.173 -2.173 254 2HD1 LEU 25 HD11 LEU 25 -8.836 -2.266 -2.266 255 3HD1 LEU 25 HD13 LEU 25 -8.590 -0.788 -0.788 256 1HD2 LEU 25 HD21 LEU 25 -6.457 -4.346 -4.346 257 2HD2 LEU 25 HD23 LEU 25 -6.794 -4.141 -4.141 258 3HD2 LEU 25 HD22 LEU 25 -8.124 -4.351 -4.351 259 H LYS 26 HN LYS 26 -7.104 -0.080 -0.080 260 HA LYS 26 HA LYS 26 -6.899 -1.669 -1.669 261 1HB LYS 26 HB2 LYS 26 -6.926 1.319 1.319 262 2HB LYS 26 HB1 LYS 26 -6.620 0.626 0.626 263 1HG LYS 26 HG2 LYS 26 -9.010 -0.550 -0.550 264 2HG LYS 26 HG1 LYS 26 -9.137 1.208 1.208 265 1HD LYS 26 HD2 LYS 26 -8.046 0.510 0.510 266 2HD LYS 26 HD1 LYS 26 -9.329 -0.662 -0.662 267 1HE LYS 26 HE2 LYS 26 -10.626 1.013 1.013 268 2HE LYS 26 HE1 LYS 26 -10.616 1.579 1.579 269 1HZ LYS 26 HZ2 LYS 26 -8.465 2.386 2.386 270 2HZ LYS 26 HZ1 LYS 26 -9.951 3.210 3.210 271 3HZ LYS 26 HZ3 LYS 26 -9.018 3.170 3.170 272 H VAL 27 HN VAL 27 -4.836 -2.628 -2.628 273 HA VAL 27 HA VAL 27 -2.707 -1.468 -1.468 274 HB VAL 27 HB VAL 27 -2.094 -3.229 -3.229 275 1HG1 VAL 27 HG11 VAL 27 -0.333 -2.181 -2.181 276 2HG1 VAL 27 HG13 VAL 27 -1.015 -3.097 -3.097 277 3HG1 VAL 27 HG12 VAL 27 -0.306 -3.944 -3.944 278 1HG2 VAL 27 HG23 VAL 27 -3.744 -3.811 -3.811 279 2HG2 VAL 27 HG22 VAL 27 -3.688 -4.651 -4.651 280 3HG2 VAL 27 HG21 VAL 27 -2.455 -4.972 -4.972 281 H LEU 28 HN LEU 28 -1.689 0.297 0.297 282 HA LEU 28 HA LEU 28 -1.504 1.706 1.706 283 1HB LEU 28 HB2 LEU 28 -1.297 2.299 2.299 284 2HB LEU 28 HB1 LEU 28 -0.029 3.085 3.085 285 HG LEU 28 HG LEU 28 -1.644 4.235 4.235 286 1HD1 LEU 28 HD12 LEU 28 -3.570 2.290 2.290 287 2HD1 LEU 28 HD11 LEU 28 -4.161 3.863 3.863 288 3HD1 LEU 28 HD13 LEU 28 -3.418 2.760 2.760 289 1HD2 LEU 28 HD21 LEU 28 -2.347 4.237 4.237 290 2HD2 LEU 28 HD23 LEU 28 -1.233 5.323 5.323 291 3HD2 LEU 28 HD22 LEU 28 -2.965 5.435 5.435 292 H ASN 29 HN ASN 29 0.513 0.062 0.062 293 HA ASN 29 HA ASN 29 2.725 -0.017 -0.017 294 1HB ASN 29 HB2 ASN 29 2.868 1.876 1.876 295 2HB ASN 29 HB1 ASN 29 3.435 0.559 0.559 296 1HD2 ASN 29 HD22 ASN 29 6.280 2.173 2.173 297 2HD2 ASN 29 HD21 ASN 29 4.978 2.890 2.890 298 H GLU 30 HN GLU 30 3.536 -2.055 -2.055 299 HA GLU 30 HA GLU 30 2.923 -4.045 -4.045 300 1HB GLU 30 HB2 GLU 30 3.880 -4.271 -4.271 301 2HB GLU 30 HB1 GLU 30 3.981 -5.632 -5.632 302 1HG GLU 30 HG2 GLU 30 1.437 -5.023 -5.023 303 2HG GLU 30 HG1 GLU 30 1.542 -4.316 -4.316 304 H GLU 31 HN GLU 31 4.923 -5.721 -5.721 305 HA GLU 31 HA GLU 31 7.134 -6.048 -6.048 306 1HB GLU 31 HB2 GLU 31 7.730 -3.594 -3.594 307 2HB GLU 31 HB1 GLU 31 8.897 -4.788 -4.788 308 1HG GLU 31 HG2 GLU 31 6.571 -5.377 -5.377 309 2HG GLU 31 HG1 GLU 31 8.236 -5.130 -5.130 310 H CYS 32 HN CYS 32 9.093 -4.487 -4.487 311 HA CYS 32 HA CYS 32 9.837 -3.046 -3.046 312 1HB CYS 32 HB2 CYS 32 7.194 -1.615 -1.615 313 2HB CYS 32 HB1 CYS 32 8.681 -0.975 -0.975 314 HG CYS 32 HG CYS 32 9.336 -1.821 -1.821 315 H ASP 33 HN ASP 33 9.317 -2.294 -2.294 316 HA ASP 33 HA ASP 33 8.742 -2.781 -2.781 317 1HB ASP 33 HB2 ASP 33 6.701 -1.806 -1.806 318 2HB ASP 33 HB1 ASP 33 6.146 -3.436 -3.436 319 H GLN 34 HN GLN 34 8.213 -4.503 -4.503 320 HA GLN 34 HA GLN 34 9.257 -6.952 -6.952 321 1HB GLN 34 HB2 GLN 34 8.009 -6.272 -6.272 322 2HB GLN 34 HB1 GLN 34 8.820 -7.806 -7.806 323 1HG GLN 34 HG2 GLN 34 10.922 -6.739 -6.739 324 2HG GLN 34 HG1 GLN 34 10.175 -5.140 -5.140 325 1HE2 GLN 34 HE22 GLN 34 9.390 -5.239 -5.239 326 2HE2 GLN 34 HE21 GLN 34 8.587 -4.902 -4.902 327 H ASN 35 HN ASN 35 6.107 -5.995 -5.995 328 HA ASN 35 HA ASN 35 4.899 -8.263 -8.263 329 1HB ASN 35 HB2 ASN 35 4.985 -7.962 -7.962 330 2HB ASN 35 HB1 ASN 35 3.546 -8.633 -8.633 331 1HD2 ASN 35 HD22 ASN 35 6.417 -11.191 -11.191 332 2HD2 ASN 35 HD21 ASN 35 5.976 -9.862 -9.862 333 H TRP 36 HN TRP 36 4.791 -5.175 -5.175 334 HA TRP 36 HA TRP 36 1.800 -5.075 -5.075 335 1HB TRP 36 HB2 TRP 36 3.594 -2.766 -2.766 336 2HB TRP 36 HB1 TRP 36 1.831 -2.801 -2.801 337 HD1 TRP 36 HD1 TRP 36 4.585 -5.211 -5.211 338 HE1 TRP 36 HE1 TRP 36 4.144 -5.611 -5.611 339 HE3 TRP 36 HE3 TRP 36 0.475 -2.201 -2.201 340 HZ2 TRP 36 HZ2 TRP 36 2.403 -4.721 -4.721 341 HZ3 TRP 36 HZ3 TRP 36 -0.441 -1.913 -1.913 342 HH2 TRP 36 HH2 TRP 36 0.501 -3.171 -3.171 343 H TYR 37 HN TYR 37 0.884 -4.025 -4.025 344 HA TYR 37 HA TYR 37 2.769 -3.182 -3.182 345 1HB TYR 37 HB2 TYR 37 -0.265 -3.357 -3.357 346 2HB TYR 37 HB1 TYR 37 0.840 -3.249 -3.249 347 HD1 TYR 37 HD1 TYR 37 -0.661 -5.412 -5.412 348 HD2 TYR 37 HD2 TYR 37 2.036 -5.197 -5.197 349 HE1 TYR 37 HE1 TYR 37 -0.871 -7.855 -7.855 350 HE2 TYR 37 HE2 TYR 37 1.863 -7.646 -7.646 351 HH TYR 37 HH TYR 37 -0.053 -9.683 -9.683 352 H LYS 38 HN LYS 38 1.329 -1.427 -1.427 353 HA LYS 38 HA LYS 38 0.455 0.802 0.802 354 1HB LYS 38 HB2 LYS 38 2.519 1.216 1.216 355 2HB LYS 38 HB1 LYS 38 1.365 1.101 1.101 356 1HG LYS 38 HG2 LYS 38 -0.050 2.788 2.788 357 2HG LYS 38 HG1 LYS 38 1.417 3.083 3.083 358 1HD LYS 38 HD2 LYS 38 2.152 3.125 3.125 359 2HD LYS 38 HD1 LYS 38 0.697 4.109 4.109 360 1HE LYS 38 HE2 LYS 38 2.773 4.527 4.527 361 2HE LYS 38 HE1 LYS 38 3.195 5.094 5.094 362 1HZ LYS 38 HZ1 LYS 38 0.538 5.731 5.731 363 2HZ LYS 38 HZ3 LYS 38 1.855 6.583 6.583 364 3HZ LYS 38 HZ2 LYS 38 1.546 6.626 6.626 365 H ALA 39 HN ALA 39 -1.668 1.588 1.588 366 HA ALA 39 HA ALA 39 -2.956 0.751 0.751 367 1HB ALA 39 HB2 ALA 39 -2.958 -1.376 -1.376 368 2HB ALA 39 HB1 ALA 39 -3.900 -0.604 -0.604 369 3HB ALA 39 HB3 ALA 39 -4.589 -0.770 -0.770 370 H GLU 40 HN GLU 40 -5.463 0.980 0.980 371 HA GLU 40 HA GLU 40 -5.971 3.284 3.284 372 1HB GLU 40 HB2 GLU 40 -5.423 4.821 4.821 373 2HB GLU 40 HB1 GLU 40 -4.848 3.538 3.538 374 1HG GLU 40 HG2 GLU 40 -7.044 3.413 3.413 375 2HG GLU 40 HG1 GLU 40 -7.718 4.572 4.572 376 H LEU 41 HN LEU 41 -7.911 3.600 3.600 377 HA LEU 41 HA LEU 41 -10.026 1.878 1.878 378 1HB LEU 41 HB2 LEU 41 -9.686 3.180 3.180 379 2HB LEU 41 HB1 LEU 41 -11.346 3.012 3.012 380 HG LEU 41 HG LEU 41 -9.439 0.733 0.733 381 1HD1 LEU 41 HD11 LEU 41 -9.424 1.520 1.520 382 2HD1 LEU 41 HD13 LEU 41 -11.183 1.391 1.391 383 3HD1 LEU 41 HD12 LEU 41 -10.193 -0.056 -0.056 384 1HD2 LEU 41 HD23 LEU 41 -11.800 0.990 0.990 385 2HD2 LEU 41 HD22 LEU 41 -11.379 -0.529 -0.529 386 3HD2 LEU 41 HD21 LEU 41 -12.394 0.650 0.650 387 H ASN 42 HN ASN 42 -10.596 2.728 2.728 388 HA ASN 42 HA ASN 42 -11.740 4.151 4.151 389 1HB ASN 42 HB2 ASN 42 -13.125 4.118 4.118 390 2HB ASN 42 HB1 ASN 42 -13.732 5.191 5.191 391 1HD2 ASN 42 HD22 ASN 42 -14.376 2.328 2.328 392 2HD2 ASN 42 HD21 ASN 42 -13.659 3.868 3.868 393 H GLY 43 HN GLY 43 -9.536 5.541 5.541 394 1HA GLY 43 HA2 GLY 43 -9.271 8.006 8.006 395 2HA GLY 43 HA1 GLY 43 -10.629 8.308 8.308 396 H LYS 44 HN LYS 44 -9.667 6.465 6.465 397 HA LYS 44 HA LYS 44 -7.676 8.153 8.153 398 1HB LYS 44 HB2 LYS 44 -9.455 5.949 5.949 399 2HB LYS 44 HB1 LYS 44 -7.945 6.251 6.251 400 1HG LYS 44 HG2 LYS 44 -9.474 7.650 7.650 401 2HG LYS 44 HG1 LYS 44 -8.628 8.719 8.719 402 1HD LYS 44 HD2 LYS 44 -11.057 9.146 9.146 403 2HD LYS 44 HD1 LYS 44 -10.502 8.470 8.470 404 1HE LYS 44 HE2 LYS 44 -11.349 6.292 6.292 405 2HE LYS 44 HE1 LYS 44 -11.694 6.810 6.810 406 1HZ LYS 44 HZ1 LYS 44 -13.220 8.496 8.496 407 2HZ LYS 44 HZ3 LYS 44 -13.026 7.696 7.696 408 3HZ LYS 44 HZ2 LYS 44 -13.721 6.882 6.882 409 H ASP 45 HN ASP 45 -5.823 6.975 6.975 410 HA ASP 45 HA ASP 45 -4.985 4.645 4.645 411 1HB ASP 45 HB2 ASP 45 -3.623 5.627 5.627 412 2HB ASP 45 HB1 ASP 45 -4.729 6.958 6.958 413 H GLY 46 HN GLY 46 -2.488 4.276 4.276 414 1HA GLY 46 HA2 GLY 46 -0.607 4.731 4.731 415 2HA GLY 46 HA1 GLY 46 -1.790 4.707 4.707 416 H PHE 47 HN PHE 47 0.245 3.057 3.057 417 HA PHE 47 HA PHE 47 0.347 0.560 0.560 418 1HB PHE 47 HB2 PHE 47 1.125 1.384 1.384 419 2HB PHE 47 HB1 PHE 47 1.512 -0.200 -0.200 420 HD1 PHE 47 HD1 PHE 47 1.984 1.084 1.084 421 HD2 PHE 47 HD2 PHE 47 3.476 1.881 1.881 422 HE1 PHE 47 HE1 PHE 47 4.054 2.010 2.010 423 HE2 PHE 47 HE2 PHE 47 5.540 2.829 2.829 424 HZ PHE 47 HZ PHE 47 5.826 2.885 2.885 425 H ILE 48 HN ILE 48 -0.051 -1.616 -1.616 426 HA ILE 48 HA ILE 48 -2.341 -1.816 -1.816 427 HB ILE 48 HB ILE 48 -3.432 -3.460 -3.460 428 1HG1 ILE 48 HG12 ILE 48 -1.300 -2.309 -2.309 429 2HG1 ILE 48 HG11 ILE 48 -1.582 -4.000 -4.000 430 1HG2 ILE 48 HG23 ILE 48 -4.051 -1.002 -1.002 431 2HG2 ILE 48 HG22 ILE 48 -3.205 -0.667 -0.667 432 3HG2 ILE 48 HG21 ILE 48 -4.612 -1.732 -1.732 433 1HD1 ILE 48 HD12 ILE 48 -3.921 -2.662 -2.662 434 2HD1 ILE 48 HD11 ILE 48 -2.518 -2.718 -2.718 435 3HD1 ILE 48 HD13 ILE 48 -3.185 -4.207 -4.207 436 HA PRO 49 HA PRO 49 0.544 -5.154 -5.154 437 1HB PRO 49 HB2 PRO 49 -1.055 -6.262 -6.262 438 2HB PRO 49 HB1 PRO 49 0.091 -4.942 -4.942 439 1HG PRO 49 HG2 PRO 49 -2.897 -4.830 -4.830 440 2HG PRO 49 HG1 PRO 49 -1.843 -3.758 -3.758 441 1HD PRO 49 HD2 PRO 49 -2.898 -3.053 -3.053 442 2HD PRO 49 HD1 PRO 49 -1.433 -2.363 -2.363 443 H LYS 50 HN LYS 50 0.522 -6.562 -6.562 444 HA LYS 50 HA LYS 50 -1.356 -7.845 -7.845 445 1HB LYS 50 HB2 LYS 50 1.136 -7.971 -7.971 446 2HB LYS 50 HB1 LYS 50 1.060 -9.216 -9.216 447 1HG LYS 50 HG2 LYS 50 -0.169 -10.674 -10.674 448 2HG LYS 50 HG1 LYS 50 -0.517 -9.384 -9.384 449 1HD LYS 50 HD2 LYS 50 1.513 -9.652 -9.652 450 2HD LYS 50 HD1 LYS 50 2.379 -9.689 -9.689 451 1HE LYS 50 HE2 LYS 50 2.072 -12.026 -12.026 452 2HE LYS 50 HE1 LYS 50 0.762 -12.085 -12.085 453 1HZ LYS 50 HZ3 LYS 50 3.135 -11.088 -11.088 454 2HZ LYS 50 HZ2 LYS 50 3.430 -12.583 -12.583 455 3HZ LYS 50 HZ1 LYS 50 2.206 -12.445 -12.445 456 H ASN 51 HN ASN 51 -0.436 -9.075 -9.075 457 HA ASN 51 HA ASN 51 -1.706 -11.515 -11.515 458 1HB ASN 51 HB2 ASN 51 -1.361 -10.019 -10.019 459 2HB ASN 51 HB1 ASN 51 -1.450 -11.723 -11.723 460 1HD2 ASN 51 HD22 ASN 51 1.925 -12.111 -12.111 461 2HD2 ASN 51 HD21 ASN 51 0.390 -12.846 -12.846 462 H TYR 52 HN TYR 52 -3.067 -8.417 -8.417 463 HA TYR 52 HA TYR 52 -5.740 -9.549 -9.549 464 1HB TYR 52 HB2 TYR 52 -4.602 -6.751 -6.751 465 2HB TYR 52 HB1 TYR 52 -6.331 -6.997 -6.997 466 HD1 TYR 52 HD2 TYR 52 -3.480 -8.604 -8.604 467 HD2 TYR 52 HD1 TYR 52 -7.235 -6.594 -6.594 468 HE1 TYR 52 HE2 TYR 52 -3.435 -8.724 -8.724 469 HE2 TYR 52 HE1 TYR 52 -7.193 -6.683 -6.683 470 HH TYR 52 HH TYR 52 -4.419 -7.617 -7.617 471 H ILE 53 HN ILE 53 -4.333 -9.922 -9.922 472 HA ILE 53 HA ILE 53 -6.343 -8.801 -8.801 473 HB ILE 53 HB ILE 53 -3.764 -8.254 -8.254 474 1HG1 ILE 53 HG12 ILE 53 -4.708 -6.492 -6.492 475 2HG1 ILE 53 HG11 ILE 53 -3.317 -7.571 -7.571 476 1HG2 ILE 53 HG22 ILE 53 -6.449 -6.919 -6.919 477 2HG2 ILE 53 HG21 ILE 53 -5.071 -5.994 -5.994 478 3HG2 ILE 53 HG23 ILE 53 -5.585 -7.424 -7.424 479 1HD1 ILE 53 HD13 ILE 53 -2.421 -6.388 -6.388 480 2HD1 ILE 53 HD12 ILE 53 -3.726 -5.220 -5.220 481 3HD1 ILE 53 HD11 ILE 53 -2.493 -5.392 -5.392 482 H GLU 54 HN GLU 54 -5.921 -9.307 -9.307 483 HA GLU 54 HA GLU 54 -4.182 -11.460 -11.460 484 1HB GLU 54 HB2 GLU 54 -6.863 -12.067 -12.067 485 2HB GLU 54 HB1 GLU 54 -6.638 -12.261 -12.261 486 1HG GLU 54 HG2 GLU 54 -5.280 -14.067 -14.067 487 2HG GLU 54 HG1 GLU 54 -4.425 -13.389 -13.389 488 H MET 55 HN MET 55 -3.995 -11.722 -11.722 489 HA MET 55 HA MET 55 -4.563 -9.181 -9.181 490 1HB MET 55 HB2 MET 55 -2.261 -9.960 -9.960 491 2HB MET 55 HB1 MET 55 -2.720 -11.484 -11.484 492 1HG MET 55 HG2 MET 55 -3.494 -10.143 -10.143 493 2HG MET 55 HG1 MET 55 -2.733 -8.732 -8.732 494 1HE MET 55 HE1 MET 55 -0.850 -7.970 -7.970 495 2HE MET 55 HE3 MET 55 0.454 -8.768 -8.768 496 3HE MET 55 HE2 MET 55 -1.143 -8.596 -8.596 497 H LYS 56 HN LYS 56 -6.353 -9.067 -9.067 498 HA LYS 56 HA LYS 56 -7.117 -11.448 -11.448 499 1HB LYS 56 HB2 LYS 56 -8.589 -9.295 -9.295 500 2HB LYS 56 HB1 LYS 56 -9.254 -9.971 -9.971 501 1HG LYS 56 HG2 LYS 56 -8.826 -12.272 -12.272 502 2HG LYS 56 HG1 LYS 56 -8.521 -11.427 -11.427 503 1HD LYS 56 HD2 LYS 56 -11.136 -11.413 -11.413 504 2HD LYS 56 HD1 LYS 56 -10.871 -12.183 -12.183 505 1HE LYS 56 HE2 LYS 56 -11.688 -10.234 -10.234 506 2HE LYS 56 HE1 LYS 56 -10.083 -9.587 -9.587 507 1HZ LYS 56 HZ3 LYS 56 -11.272 -9.359 -9.359 508 2HZ LYS 56 HZ2 LYS 56 -12.621 -9.140 -9.140 509 3HZ LYS 56 HZ1 LYS 56 -11.272 -8.113 -8.113 510 HA PRO 57 HA PRO 57 -6.331 -9.289 -9.289 511 1HB PRO 57 HB2 PRO 57 -7.742 -10.811 -10.811 512 2HB PRO 57 HB1 PRO 57 -6.208 -11.302 -11.302 513 1HG PRO 57 HG2 PRO 57 -8.875 -12.330 -12.330 514 2HG PRO 57 HG1 PRO 57 -7.324 -12.982 -12.982 515 1HD PRO 57 HD2 PRO 57 -9.226 -11.464 -11.464 516 2HD PRO 57 HD1 PRO 57 -7.748 -12.283 -12.283 517 H HIS 58 HN HIS 58 -7.656 -8.621 -8.621 518 HA HIS 58 HA HIS 58 -10.199 -7.285 -7.285 519 1HB HIS 58 HB2 HIS 58 -7.976 -6.009 -6.009 520 2HB HIS 58 HB1 HIS 58 -8.761 -6.313 -6.313 521 HD1 HIS 58 HD1 HIS 58 -10.966 -5.085 -5.085 522 HD2 HIS 58 HD2 HIS 58 -9.422 -4.256 -4.256 523 HE1 HIS 58 HE1 HIS 58 -12.326 -3.162 -3.162 524 HA PRO 59 HA PRO 59 -11.109 -10.587 -10.587 525 1HB PRO 59 HB2 PRO 59 -13.458 -11.395 -11.395 526 2HB PRO 59 HB1 PRO 59 -11.864 -11.923 -11.923 527 1HG PRO 59 HG2 PRO 59 -13.751 -10.004 -10.004 528 2HG PRO 59 HG1 PRO 59 -12.461 -10.964 -10.964 529 1HD PRO 59 HD2 PRO 59 -12.361 -8.206 -8.206 530 2HD PRO 59 HD1 PRO 59 -11.031 -9.225 -9.225 531 H GLU 60 HN GLU 60 -13.372 -11.293 -11.293 532 HA GLU 60 HA GLU 60 -14.654 -8.875 -8.875 533 1HB GLU 60 HB2 GLU 60 -13.768 -11.334 -11.334 534 2HB GLU 60 HB1 GLU 60 -15.526 -11.457 -11.457 535 1HG GLU 60 HG2 GLU 60 -15.764 -9.554 -9.554 536 2HG GLU 60 HG1 GLU 60 -14.124 -8.998 -8.998 537 H PHE 61 HN PHE 61 -17.102 -8.995 -8.995 538 HA PHE 61 HA PHE 61 -18.236 -10.646 -10.646 539 1HB PHE 61 HB2 PHE 61 -18.619 -7.686 -7.686 540 2HB PHE 61 HB1 PHE 61 -19.742 -8.623 -8.623 541 HD1 PHE 61 HD2 PHE 61 -18.081 -10.497 -10.497 542 HD2 PHE 61 HD1 PHE 61 -17.270 -6.408 -6.408 543 HE1 PHE 61 HE2 PHE 61 -16.539 -10.327 -10.327 544 HE2 PHE 61 HE1 PHE 61 -15.737 -6.243 -6.243 545 HZ PHE 61 HZ PHE 61 -15.371 -8.204 -8.204 546 H ILE 62 HN ILE 62 -20.665 -8.647 -8.647 547 HA ILE 62 HA ILE 62 -21.422 -9.907 -9.907 548 HB ILE 62 HB ILE 62 -21.602 -12.015 -12.015 549 1HG1 ILE 62 HG12 ILE 62 -24.043 -12.484 -12.484 550 2HG1 ILE 62 HG11 ILE 62 -24.367 -10.753 -10.753 551 1HG2 ILE 62 HG21 ILE 62 -22.306 -10.344 -10.344 552 2HG2 ILE 62 HG23 ILE 62 -23.294 -11.802 -11.802 553 3HG2 ILE 62 HG22 ILE 62 -21.538 -11.931 -11.931 554 1HD1 ILE 62 HD12 ILE 62 -23.216 -10.637 -10.637 555 2HD1 ILE 62 HD11 ILE 62 -22.979 -12.383 -12.383 556 3HD1 ILE 62 HD13 ILE 62 -24.609 -11.720 -11.720 557 H VAL 63 HN VAL 63 -22.349 -8.022 -8.022 558 HA VAL 63 HA VAL 63 -23.629 -6.121 -6.121 559 HB VAL 63 HB VAL 63 -24.259 -6.688 -6.688 560 1HG1 VAL 63 HG12 VAL 63 -24.802 -4.451 -4.451 561 2HG1 VAL 63 HG11 VAL 63 -24.322 -4.004 -4.004 562 3HG1 VAL 63 HG13 VAL 63 -25.749 -5.009 -5.009 563 1HG2 VAL 63 HG21 VAL 63 -21.946 -5.323 -5.323 564 2HG2 VAL 63 HG23 VAL 63 -21.914 -6.491 -6.491 565 3HG2 VAL 63 HG22 VAL 63 -22.441 -4.835 -4.835 566 H THR 64 HN THR 64 -25.813 -5.570 -5.570 567 HA THR 64 HA THR 64 -27.860 -7.656 -7.656 568 HB THR 64 HB THR 64 -27.692 -6.247 -6.247 569 HG1 THR 64 HG1 THR 64 -26.403 -7.747 -7.747 570 1HG2 THR 64 HG21 THR 64 -29.474 -8.265 -8.265 571 2HG2 THR 64 HG23 THR 64 -29.176 -8.406 -8.406 572 3HG2 THR 64 HG22 THR 64 -29.880 -6.929 -6.929 573 H ASP 65 HN ASP 65 -27.461 -4.435 -4.435 574 HA ASP 65 HA ASP 65 -29.382 -3.323 -3.323 575 1HB ASP 65 HB2 ASP 65 -30.616 -4.028 -4.028 576 2HB ASP 65 HB1 ASP 65 -29.699 -2.775 -2.775 577 1H SER 1 HT2 SER 1 -8.100 -21.611 -21.611 578 2H SER 1 HT1 SER 1 -8.275 -21.662 -21.662 579 3H SER 1 HT3 SER 1 -9.292 -22.595 -22.595 580 HA SER 1 HA SER 1 -10.604 -20.864 -20.864 581 1HB SER 1 HB2 SER 1 -10.629 -21.100 -21.100 582 2HB SER 1 HB1 SER 1 -9.415 -19.826 -19.826 583 HG SER 1 HG SER 1 -10.870 -18.375 -18.375 584 HA PRO 2 HA PRO 2 -7.897 -17.843 -17.843 585 1HB PRO 2 HB2 PRO 2 -9.735 -16.790 -16.790 586 2HB PRO 2 HB1 PRO 2 -8.846 -18.295 -18.295 587 1HG PRO 2 HG2 PRO 2 -11.698 -17.919 -17.919 588 2HG PRO 2 HG1 PRO 2 -10.915 -19.291 -19.291 589 1HD PRO 2 HD2 PRO 2 -11.693 -19.124 -19.124 590 2HD PRO 2 HD1 PRO 2 -10.732 -20.414 -20.414 591 H LEU 3 HN LEU 3 -7.406 -15.873 -15.873 592 HA LEU 3 HA LEU 3 -9.490 -13.863 -13.863 593 1HB LEU 3 HB2 LEU 3 -8.217 -13.228 -13.228 594 2HB LEU 3 HB1 LEU 3 -9.317 -14.598 -14.598 595 HG LEU 3 HG LEU 3 -6.761 -15.615 -15.615 596 1HD1 LEU 3 HD12 LEU 3 -6.641 -13.492 -13.492 597 2HD1 LEU 3 HD11 LEU 3 -5.661 -14.942 -14.942 598 3HD1 LEU 3 HD13 LEU 3 -5.447 -13.945 -13.945 599 1HD2 LEU 3 HD21 LEU 3 -8.768 -16.008 -16.008 600 2HD2 LEU 3 HD23 LEU 3 -7.736 -17.194 -17.194 601 3HD2 LEU 3 HD22 LEU 3 -7.133 -16.297 -16.297 602 H LEU 4 HN LEU 4 -8.134 -11.709 -11.709 603 HA LEU 4 HA LEU 4 -5.457 -11.623 -11.623 604 1HB LEU 4 HB2 LEU 4 -6.200 -9.925 -9.925 605 2HB LEU 4 HB1 LEU 4 -6.572 -11.617 -11.617 606 HG LEU 4 HG LEU 4 -8.719 -10.330 -10.330 607 1HD1 LEU 4 HD11 LEU 4 -7.510 -8.777 -8.777 608 2HD1 LEU 4 HD13 LEU 4 -9.152 -9.240 -9.240 609 3HD1 LEU 4 HD12 LEU 4 -8.860 -8.358 -8.358 610 1HD2 LEU 4 HD21 LEU 4 -8.461 -11.795 -11.795 611 2HD2 LEU 4 HD23 LEU 4 -9.094 -12.424 -12.424 612 3HD2 LEU 4 HD22 LEU 4 -10.011 -11.219 -11.219 613 HA PRO 5 HA PRO 5 -6.313 -8.381 -8.381 614 1HB PRO 5 HB2 PRO 5 -3.964 -8.666 -8.666 615 2HB PRO 5 HB1 PRO 5 -5.396 -9.679 -9.679 616 1HG PRO 5 HG2 PRO 5 -2.833 -10.412 -10.412 617 2HG PRO 5 HG1 PRO 5 -4.083 -11.465 -11.465 618 1HD PRO 5 HD2 PRO 5 -3.649 -10.847 -10.847 619 2HD PRO 5 HD1 PRO 5 -4.918 -11.870 -11.870 620 H LYS 6 HN LYS 6 -2.982 -8.822 -8.822 621 HA LYS 6 HA LYS 6 -2.983 -6.047 -6.047 622 1HB LYS 6 HB2 LYS 6 -1.813 -6.812 -6.812 623 2HB LYS 6 HB1 LYS 6 -0.568 -6.207 -6.207 624 1HG LYS 6 HG2 LYS 6 -2.336 -4.311 -4.311 625 2HG LYS 6 HG1 LYS 6 -2.968 -4.774 -4.774 626 1HD LYS 6 HD2 LYS 6 -0.953 -4.179 -4.179 627 2HD LYS 6 HD1 LYS 6 -0.015 -4.287 -4.287 628 1HE LYS 6 HE2 LYS 6 -1.769 -2.337 -2.337 629 2HE LYS 6 HE1 LYS 6 -1.649 -2.018 -2.018 630 1HZ LYS 6 HZ2 LYS 6 0.639 -2.272 -2.272 631 2HZ LYS 6 HZ1 LYS 6 0.047 -0.814 -0.814 632 3HZ LYS 6 HZ3 LYS 6 0.763 -1.963 -1.963 633 H LEU 7 HN LEU 7 -0.749 -5.542 -5.542 634 HA LEU 7 HA LEU 7 0.150 -7.871 -7.871 635 1HB LEU 7 HB2 LEU 7 0.236 -4.880 -4.880 636 2HB LEU 7 HB1 LEU 7 1.534 -5.790 -5.790 637 HG LEU 7 HG LEU 7 -0.428 -5.322 -5.322 638 1HD1 LEU 7 HD11 LEU 7 1.123 -7.225 -7.225 639 2HD1 LEU 7 HD13 LEU 7 0.052 -8.262 -8.262 640 3HD1 LEU 7 HD12 LEU 7 -0.511 -7.554 -7.554 641 1HD2 LEU 7 HD21 LEU 7 -2.036 -5.922 -5.922 642 2HD2 LEU 7 HD23 LEU 7 -2.561 -6.098 -6.098 643 3HD2 LEU 7 HD22 LEU 7 -1.990 -7.505 -7.505 644 HA PRO 8 HA PRO 8 3.947 -8.095 -8.095 645 1HB PRO 8 HB2 PRO 8 5.857 -8.436 -8.436 646 2HB PRO 8 HB1 PRO 8 4.791 -9.715 -9.715 647 1HG PRO 8 HG2 PRO 8 4.645 -8.205 -8.205 648 2HG PRO 8 HG1 PRO 8 4.073 -9.834 -9.834 649 1HD PRO 8 HD2 PRO 8 2.442 -7.555 -7.555 650 2HD PRO 8 HD1 PRO 8 1.990 -9.088 -9.088 651 HA PRO 9 HA PRO 9 4.809 -3.690 -3.690 652 1HB PRO 9 HB2 PRO 9 5.946 -3.389 -3.389 653 2HB PRO 9 HB1 PRO 9 4.203 -3.437 -3.437 654 1HG PRO 9 HG2 PRO 9 5.948 -5.520 -5.520 655 2HG PRO 9 HG1 PRO 9 4.206 -5.269 -5.269 656 1HD PRO 9 HD2 PRO 9 5.458 -7.212 -7.212 657 2HD PRO 9 HD1 PRO 9 3.738 -6.773 -6.773 658 H LYS 10 HN LYS 10 6.824 -2.243 -2.243 659 HA LYS 10 HA LYS 10 9.129 -3.280 -3.280 660 1HB LYS 10 HB2 LYS 10 9.998 -1.030 -1.030 661 2HB LYS 10 HB1 LYS 10 8.282 -0.906 -0.906 662 1HG LYS 10 HG2 LYS 10 8.015 -0.737 -0.737 663 2HG LYS 10 HG1 LYS 10 9.724 -0.300 -0.300 664 1HD LYS 10 HD2 LYS 10 8.928 1.366 1.366 665 2HD LYS 10 HD1 LYS 10 7.367 1.194 1.194 666 1HE LYS 10 HE2 LYS 10 8.243 1.998 1.998 667 2HE LYS 10 HE1 LYS 10 9.903 1.876 1.876 668 1HZ LYS 10 HZ1 LYS 10 9.148 3.521 3.521 669 2HZ LYS 10 HZ3 LYS 10 7.823 3.819 3.819 670 3HZ LYS 10 HZ2 LYS 10 9.401 4.110 4.110 671 H THR 11 HN THR 11 11.312 -3.216 -3.216 672 HA THR 11 HA THR 11 11.501 -3.307 -3.307 673 HB THR 11 HB THR 11 12.804 -5.411 -5.411 674 HG1 THR 11 HG1 THR 11 10.199 -5.296 -5.296 675 1HG2 THR 11 HG21 THR 11 12.334 -5.045 -5.045 676 2HG2 THR 11 HG23 THR 11 12.850 -6.578 -6.578 677 3HG2 THR 11 HG22 THR 11 13.873 -5.152 -5.152 678 H TYR 12 HN TYR 12 13.853 -3.154 -3.154 679 HA TYR 12 HA TYR 12 15.128 -1.028 -1.028 680 1HB TYR 12 HB2 TYR 12 15.403 -1.999 -1.999 681 2HB TYR 12 HB1 TYR 12 16.785 -2.783 -2.783 682 HD1 TYR 12 HD1 TYR 12 18.071 -1.095 -1.095 683 HD2 TYR 12 HD2 TYR 12 15.866 0.052 0.052 684 HE1 TYR 12 HE1 TYR 12 19.358 1.008 1.008 685 HE2 TYR 12 HE2 TYR 12 17.178 2.151 2.151 686 HH TYR 12 HH TYR 12 19.936 2.681 2.681 687 H LYS 13 HN LYS 13 15.459 -1.636 -1.636 688 HA LYS 13 HA LYS 13 17.631 -3.643 -3.643 689 1HB LYS 13 HB2 LYS 13 15.343 -4.512 -4.512 690 2HB LYS 13 HB1 LYS 13 15.255 -3.219 -3.219 691 1HG LYS 13 HG2 LYS 13 16.817 -4.200 -4.200 692 2HG LYS 13 HG1 LYS 13 17.717 -4.902 -4.902 693 1HD LYS 13 HD2 LYS 13 14.987 -5.987 -5.987 694 2HD LYS 13 HD1 LYS 13 16.044 -6.317 -6.317 695 1HE LYS 13 HE2 LYS 13 16.496 -8.123 -8.123 696 2HE LYS 13 HE1 LYS 13 17.786 -6.997 -6.997 697 1HZ LYS 13 HZ3 LYS 13 15.310 -6.712 -6.712 698 2HZ LYS 13 HZ2 LYS 13 16.209 -8.121 -8.121 699 3HZ LYS 13 HZ1 LYS 13 16.920 -6.594 -6.594 700 H ARG 14 HN ARG 14 15.820 -0.908 -0.908 701 HA ARG 14 HA ARG 14 18.232 -0.171 -0.171 702 1HB ARG 14 HB2 ARG 14 15.955 -0.502 -0.502 703 2HB ARG 14 HB1 ARG 14 15.412 0.927 0.927 704 1HG ARG 14 HG2 ARG 14 16.655 2.357 2.357 705 2HG ARG 14 HG1 ARG 14 17.948 1.183 1.183 706 1HD ARG 14 HD2 ARG 14 15.307 0.520 0.520 707 2HD ARG 14 HD1 ARG 14 16.210 1.842 1.842 708 HE ARG 14 HE ARG 14 17.972 -0.383 -0.383 709 1HH1 ARG 14 HH11 ARG 14 17.902 1.078 1.078 710 2HH1 ARG 14 HH12 ARG 14 17.156 -0.052 -0.052 711 1HH2 ARG 14 HH21 ARG 14 15.868 -2.035 -2.035 712 2HH2 ARG 14 HH22 ARG 14 15.996 -1.820 -1.820 713 H GLU 15 HN GLU 15 15.612 1.443 1.443 714 HA GLU 15 HA GLU 15 17.273 3.814 3.814 715 1HB GLU 15 HB2 GLU 15 14.559 3.426 3.426 716 2HB GLU 15 HB1 GLU 15 14.775 3.518 3.518 717 1HG GLU 15 HG2 GLU 15 16.182 5.616 5.616 718 2HG GLU 15 HG1 GLU 15 15.490 5.575 5.575
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