NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1235 | 1adz | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.588 -0.594 -0.594 3 1HB ASP 1 HB2 ASP 1 1.429 1.719 1.719 4 2HB ASP 1 HB1 ASP 1 2.461 2.059 2.059 5 H TYR 2 H TYR 2 3.031 -2.254 -2.254 6 HA TYR 2 HA TYR 2 5.037 -3.374 -3.374 7 1HB TYR 2 HB1 TYR 2 5.740 -0.751 -0.751 8 2HB TYR 2 HB2 TYR 2 6.555 -1.028 -1.028 9 HD1 TYR 2 HD2 TYR 2 6.019 -3.335 -3.335 10 HD2 TYR 2 HD1 TYR 2 8.851 -1.280 -1.280 11 HE1 TYR 2 HE2 TYR 2 7.890 -4.476 -4.476 12 HE2 TYR 2 HE1 TYR 2 10.720 -2.421 -2.421 13 HH TYR 2 HH TYR 2 10.684 -5.013 -5.013 14 H LYS 3 H LYS 3 7.184 -2.714 -2.714 15 HA LYS 3 HA LYS 3 5.659 -3.341 -3.341 16 1HB LYS 3 HB2 LYS 3 7.796 -4.814 -4.814 17 2HB LYS 3 HB1 LYS 3 6.419 -5.446 -5.446 18 1HG LYS 3 HG2 LYS 3 7.614 -4.798 -4.798 19 2HG LYS 3 HG1 LYS 3 9.001 -4.282 -4.282 20 1HD LYS 3 HD2 LYS 3 7.861 -7.082 -7.082 21 2HD LYS 3 HD1 LYS 3 9.484 -6.508 -6.508 22 1HE LYS 3 HE2 LYS 3 10.024 -7.480 -7.480 23 2HE LYS 3 HE1 LYS 3 9.474 -5.919 -5.919 24 1HZ LYS 3 HZ1 LYS 3 7.817 -8.348 -8.348 25 2HZ LYS 3 HZ3 LYS 3 8.457 -7.765 -7.765 26 3HZ LYS 3 HZ2 LYS 3 7.298 -6.896 -6.896 27 H ASP 4 H ASP 4 7.425 -3.246 -3.246 28 HA ASP 4 HA ASP 4 8.211 -0.474 -0.474 29 1HB ASP 4 HB2 ASP 4 7.537 -1.941 -1.941 30 2HB ASP 4 HB1 ASP 4 9.099 -2.766 -2.766 31 H ASP 5 H ASP 5 9.563 -0.489 -0.489 32 HA ASP 5 HA ASP 5 11.984 -1.987 -1.987 33 1HB ASP 5 HB2 ASP 5 10.946 0.574 0.574 34 2HB ASP 5 HB1 ASP 5 12.658 0.151 0.151 35 H ASP 6 H ASP 6 14.180 -0.581 -0.581 36 HA ASP 6 HA ASP 6 15.733 0.796 0.796 37 1HB ASP 6 HB2 ASP 6 13.843 1.488 1.488 38 2HB ASP 6 HB1 ASP 6 15.155 2.452 2.452 39 H ASP 7 H ASP 7 13.458 -0.557 -0.557 40 HA ASP 7 HA ASP 7 15.652 -1.359 -1.359 41 1HB ASP 7 HB2 ASP 7 13.119 -0.852 -0.852 42 2HB ASP 7 HB1 ASP 7 12.891 -2.554 -2.554 43 H LYS 8 H LYS 8 16.615 -2.425 -2.425 44 HA LYS 8 HA LYS 8 16.911 -4.295 -4.295 45 1HB LYS 8 HB2 LYS 8 18.011 -5.958 -5.958 46 2HB LYS 8 HB1 LYS 8 18.174 -4.501 -4.501 47 1HG LYS 8 HG2 LYS 8 17.243 -5.647 -5.647 48 2HG LYS 8 HG1 LYS 8 15.733 -5.722 -5.722 49 1HD LYS 8 HD2 LYS 8 16.046 -7.980 -7.980 50 2HD LYS 8 HD1 LYS 8 17.172 -7.727 -7.727 51 1HE LYS 8 HE2 LYS 8 18.001 -7.577 -7.577 52 2HE LYS 8 HE1 LYS 8 18.076 -9.075 -9.075 53 1HZ LYS 8 HZ1 LYS 8 19.449 -6.542 -6.542 54 2HZ LYS 8 HZ3 LYS 8 20.158 -7.905 -7.905 55 3HZ LYS 8 HZ2 LYS 8 19.538 -7.944 -7.944 56 H LEU 9 H LEU 9 14.227 -3.715 -3.715 57 HA LEU 9 HA LEU 9 12.118 -4.597 -4.597 58 1HB LEU 9 HB2 LEU 9 12.163 -6.772 -6.772 59 2HB LEU 9 HB1 LEU 9 12.642 -5.205 -5.205 60 HG LEU 9 HG LEU 9 14.699 -7.002 -7.002 61 1HD1 LEU 9 HD1 LEU 9 13.533 -7.407 -7.407 62 2HD1 LEU 9 HD1 LEU 9 15.027 -8.170 -8.170 63 3HD1 LEU 9 HD1 LEU 9 13.463 -8.545 -8.545 64 1HD2 LEU 9 HD2 LEU 9 15.383 -4.764 -4.764 65 2HD2 LEU 9 HD2 LEU 9 16.140 -6.003 -6.003 66 3HD2 LEU 9 HD2 LEU 9 14.747 -5.075 -5.075 67 H LYS 10 H LYS 10 11.833 -4.875 -4.875 68 HA LYS 10 HA LYS 10 12.075 -7.711 -7.711 69 1HB LYS 10 HB2 LYS 10 12.873 -5.284 -5.284 70 2HB LYS 10 HB1 LYS 10 11.599 -6.037 -6.037 71 1HG LYS 10 HG2 LYS 10 13.132 -8.219 -8.219 72 2HG LYS 10 HG1 LYS 10 14.370 -6.949 -6.949 73 1HD LYS 10 HD2 LYS 10 12.677 -6.550 -6.550 74 2HD LYS 10 HD1 LYS 10 12.984 -8.296 -8.296 75 1HE LYS 10 HE2 LYS 10 15.497 -7.329 -7.329 76 2HE LYS 10 HE1 LYS 10 14.852 -6.032 -6.032 77 1HZ LYS 10 HZ1 LYS 10 14.865 -8.914 -8.914 78 2HZ LYS 10 HZ3 LYS 10 15.897 -7.758 -7.758 79 3HZ LYS 10 HZ2 LYS 10 14.274 -7.705 -7.705 80 HA PRO 11 HA PRO 11 7.707 -7.905 -7.905 81 1HB PRO 11 HB2 PRO 11 7.422 -9.920 -9.920 82 2HB PRO 11 HB1 PRO 11 7.811 -10.233 -10.233 83 1HG PRO 11 HG2 PRO 11 9.529 -10.370 -10.370 84 2HG PRO 11 HG1 PRO 11 9.766 -11.066 -11.066 85 1HD PRO 11 HD2 PRO 11 11.046 -8.755 -8.755 86 2HD PRO 11 HD1 PRO 11 11.190 -9.403 -9.403 87 H ASP 12 H ASP 12 6.713 -6.122 -6.122 88 HA ASP 12 HA ASP 12 7.084 -5.042 -5.042 89 1HB ASP 12 HB2 ASP 12 6.169 -3.875 -3.875 90 2HB ASP 12 HB1 ASP 12 4.656 -4.765 -4.765 91 H PHE 13 H PHE 13 4.919 -7.516 -7.516 92 HA PHE 13 HA PHE 13 2.882 -7.583 -7.583 93 1HB PHE 13 HB2 PHE 13 2.399 -9.728 -9.728 94 2HB PHE 13 HB1 PHE 13 3.000 -8.827 -8.827 95 HD1 PHE 13 HD1 PHE 13 4.284 -11.170 -11.170 96 HD2 PHE 13 HD2 PHE 13 4.630 -9.759 -9.759 97 HE1 PHE 13 HE1 PHE 13 5.987 -12.918 -12.918 98 HE2 PHE 13 HE2 PHE 13 6.333 -11.511 -11.511 99 HZ PHE 13 HZ PHE 13 7.013 -13.093 -13.093 100 H CYS 14 H CYS 14 6.292 -8.575 -8.575 101 HA CYS 14 HA CYS 14 6.080 -10.343 -10.343 102 1HB CYS 14 HB2 CYS 14 8.297 -8.822 -8.822 103 2HB CYS 14 HB1 CYS 14 8.581 -9.604 -9.604 104 HG CYS 14 HG CYS 14 7.875 -11.097 -11.097 105 H PHE 15 H PHE 15 6.528 -6.804 -6.804 106 HA PHE 15 HA PHE 15 6.944 -6.373 -6.373 107 1HB PHE 15 HB2 PHE 15 6.132 -4.309 -4.309 108 2HB PHE 15 HB1 PHE 15 7.055 -4.100 -4.100 109 HD1 PHE 15 HD1 PHE 15 9.230 -6.002 -6.002 110 HD2 PHE 15 HD2 PHE 15 7.471 -3.787 -3.787 111 HE1 PHE 15 HE1 PHE 15 11.361 -6.170 -6.170 112 HE2 PHE 15 HE2 PHE 15 9.607 -3.961 -3.961 113 HZ PHE 15 HZ PHE 15 11.554 -5.152 -5.152 114 H LEU 16 H LEU 16 4.285 -7.301 -7.301 115 HA LEU 16 HA LEU 16 2.307 -5.601 -5.601 116 1HB LEU 16 HB2 LEU 16 2.407 -7.167 -7.167 117 2HB LEU 16 HB1 LEU 16 1.470 -8.196 -8.196 118 HG LEU 16 HG LEU 16 0.650 -5.377 -5.377 119 1HD1 LEU 16 HD1 LEU 16 0.249 -7.207 -7.207 120 2HD1 LEU 16 HD1 LEU 16 -0.582 -5.648 -5.648 121 3HD1 LEU 16 HD1 LEU 16 1.179 -5.696 -5.696 122 1HD2 LEU 16 HD2 LEU 16 -0.637 -7.003 -7.003 123 2HD2 LEU 16 HD2 LEU 16 -1.632 -6.389 -6.389 124 3HD2 LEU 16 HD2 LEU 16 -0.899 -8.002 -8.002 125 H GLU 17 H GLU 17 1.100 -5.891 -5.891 126 HA GLU 17 HA GLU 17 2.080 -7.387 -7.387 127 1HB GLU 17 HB2 GLU 17 -0.449 -7.334 -7.334 128 2HB GLU 17 HB1 GLU 17 0.514 -5.847 -5.847 129 1HG GLU 17 HG2 GLU 17 -0.860 -6.621 -6.621 130 2HG GLU 17 HG1 GLU 17 -1.951 -6.219 -6.219 131 H GLU 18 H GLU 18 1.190 -9.338 -9.338 132 HA GLU 18 HA GLU 18 1.014 -11.505 -11.505 133 1HB GLU 18 HB2 GLU 18 1.180 -12.918 -12.918 134 2HB GLU 18 HB1 GLU 18 1.941 -11.442 -11.442 135 1HG GLU 18 HG2 GLU 18 -0.614 -10.916 -10.916 136 2HG GLU 18 HG1 GLU 18 -0.708 -12.689 -12.689 137 H ASP 19 H ASP 19 -0.747 -12.820 -12.820 138 HA ASP 19 HA ASP 19 -3.413 -12.031 -12.031 139 1HB ASP 19 HB2 ASP 19 -2.678 -10.931 -10.931 140 2HB ASP 19 HB1 ASP 19 -3.011 -12.552 -12.552 141 HA PRO 20 HA PRO 20 -3.177 -16.509 -16.509 142 1HB PRO 20 HB2 PRO 20 -5.092 -16.828 -16.828 143 2HB PRO 20 HB1 PRO 20 -3.349 -16.653 -16.653 144 1HG PRO 20 HG2 PRO 20 -5.532 -14.730 -14.730 145 2HG PRO 20 HG1 PRO 20 -3.881 -14.742 -14.742 146 1HD PRO 20 HD2 PRO 20 -4.910 -13.094 -13.094 147 2HD PRO 20 HD1 PRO 20 -3.239 -13.194 -13.194 148 H GLY 21 H GLY 21 -6.251 -14.644 -14.644 149 1HA GLY 21 HA1 GLY 21 -7.633 -14.884 -14.884 150 2HA GLY 21 HA2 GLY 21 -7.475 -16.634 -16.634 151 H ILE 22 H ILE 22 -9.776 -16.899 -16.899 152 HA ILE 22 HA ILE 22 -10.924 -15.558 -15.558 153 HB ILE 22 HB ILE 22 -12.598 -17.211 -17.211 154 1HG1 ILE 22 HG1 ILE 22 -11.119 -14.765 -14.765 155 2HG1 ILE 22 HG1 ILE 22 -11.484 -16.267 -16.267 156 1HG2 ILE 22 HG2 ILE 22 -12.941 -14.469 -14.469 157 2HG2 ILE 22 HG2 ILE 22 -14.188 -15.324 -15.324 158 3HG2 ILE 22 HG2 ILE 22 -13.607 -16.008 -16.008 159 1HD1 ILE 22 HD1 ILE 22 -13.510 -14.104 -14.104 160 2HD1 ILE 22 HD1 ILE 22 -12.826 -14.374 -14.374 161 3HD1 ILE 22 HD1 ILE 22 -13.882 -15.594 -15.594 162 H CYS 23 H CYS 23 -10.893 -18.820 -18.820 163 HA CYS 23 HA CYS 23 -11.858 -20.206 -20.206 164 1HB CYS 23 HB2 CYS 23 -10.624 -22.181 -22.181 165 2HB CYS 23 HB1 CYS 23 -11.990 -21.409 -21.409 166 HG CYS 23 HG CYS 23 -8.823 -21.777 -21.777 167 H ARG 24 H ARG 24 -10.964 -20.121 -20.121 168 HA ARG 24 HA ARG 24 -8.156 -19.606 -19.606 169 1HB ARG 24 HB2 ARG 24 -9.864 -20.832 -20.832 170 2HB ARG 24 HB1 ARG 24 -8.630 -19.562 -19.562 171 1HG ARG 24 HG2 ARG 24 -10.466 -18.332 -18.332 172 2HG ARG 24 HG1 ARG 24 -11.534 -19.374 -19.374 173 1HD ARG 24 HD2 ARG 24 -11.431 -17.430 -17.430 174 2HD ARG 24 HD1 ARG 24 -10.148 -18.419 -18.419 175 HE ARG 24 HE ARG 24 -8.833 -17.036 -17.036 176 1HH1 ARG 24 HH1 ARG 24 -10.954 -16.091 -16.091 177 2HH1 ARG 24 HH1 ARG 24 -10.214 -14.504 -14.504 178 1HH2 ARG 24 HH2 ARG 24 -7.835 -14.935 -14.935 179 2HH2 ARG 24 HH2 ARG 24 -8.433 -13.843 -13.843 180 H GLY 25 H GLY 25 -7.776 -21.553 -21.553 181 1HA GLY 25 HA1 GLY 25 -7.894 -24.212 -24.212 182 2HA GLY 25 HA2 GLY 25 -7.151 -23.767 -23.767 183 H TYR 26 H TYR 26 -5.374 -21.696 -21.696 184 HA TYR 26 HA TYR 26 -3.275 -21.469 -21.469 185 1HB TYR 26 HB1 TYR 26 -4.317 -23.456 -23.456 186 2HB TYR 26 HB2 TYR 26 -2.876 -22.467 -22.467 187 HD1 TYR 26 HD2 TYR 26 -4.764 -20.183 -20.183 188 HD2 TYR 26 HD1 TYR 26 -4.808 -22.295 -22.295 189 HE1 TYR 26 HE2 TYR 26 -6.089 -18.347 -18.347 190 HE2 TYR 26 HE1 TYR 26 -6.133 -20.460 -20.460 191 HH TYR 26 HH TYR 26 -7.513 -18.551 -18.551 192 H ILE 27 H ILE 27 -1.430 -22.243 -22.243 193 HA ILE 27 HA ILE 27 -1.015 -25.142 -25.142 194 HB ILE 27 HB ILE 27 -0.757 -23.617 -23.617 195 1HG1 ILE 27 HG1 ILE 27 -3.128 -25.329 -25.329 196 2HG1 ILE 27 HG1 ILE 27 -3.122 -23.555 -23.555 197 1HG2 ILE 27 HG2 ILE 27 -0.877 -26.596 -26.596 198 2HG2 ILE 27 HG2 ILE 27 -0.810 -25.889 -25.889 199 3HG2 ILE 27 HG2 ILE 27 0.547 -25.671 -25.671 200 1HD1 ILE 27 HD1 ILE 27 -2.638 -25.438 -25.438 201 2HD1 ILE 27 HD1 ILE 27 -4.140 -24.532 -24.532 202 3HD1 ILE 27 HD1 ILE 27 -2.646 -23.666 -23.666 203 H THR 28 H THR 28 0.066 -22.581 -22.581 204 HA THR 28 HA THR 28 2.088 -21.560 -21.560 205 HB THR 28 HB THR 28 2.964 -24.478 -24.478 206 HG1 THR 28 HG1 THR 28 2.075 -24.599 -24.599 207 1HG2 THR 28 HG2 THR 28 4.321 -21.966 -21.966 208 2HG2 THR 28 HG2 THR 28 4.509 -23.449 -23.449 209 3HG2 THR 28 HG2 THR 28 5.072 -23.413 -23.413 210 H ARG 29 H ARG 29 1.796 -20.267 -20.267 211 HA ARG 29 HA ARG 29 3.600 -21.151 -21.151 212 1HB ARG 29 HB2 ARG 29 1.427 -19.023 -19.023 213 2HB ARG 29 HB1 ARG 29 2.542 -19.175 -19.175 214 1HG ARG 29 HG2 ARG 29 0.689 -21.372 -21.372 215 2HG ARG 29 HG1 ARG 29 0.356 -20.337 -20.337 216 1HD ARG 29 HD2 ARG 29 2.485 -21.197 -21.197 217 2HD ARG 29 HD1 ARG 29 2.671 -22.303 -22.303 218 HE ARG 29 HE ARG 29 0.379 -22.324 -22.324 219 1HH1 ARG 29 HH1 ARG 29 2.580 -23.944 -23.944 220 2HH1 ARG 29 HH1 ARG 29 1.954 -25.567 -25.567 221 1HH2 ARG 29 HH2 ARG 29 -0.470 -24.468 -24.468 222 2HH2 ARG 29 HH2 ARG 29 0.211 -25.866 -25.866 223 H TYR 30 H TYR 30 4.545 -18.919 -18.919 224 HA TYR 30 HA TYR 30 5.684 -17.340 -17.340 225 1HB TYR 30 HB1 TYR 30 7.250 -18.458 -18.458 226 2HB TYR 30 HB2 TYR 30 7.901 -17.420 -17.420 227 HD1 TYR 30 HD1 TYR 30 6.084 -20.734 -20.734 228 HD2 TYR 30 HD2 TYR 30 9.061 -18.367 -18.367 229 HE1 TYR 30 HE1 TYR 30 6.688 -22.698 -22.698 230 HE2 TYR 30 HE2 TYR 30 9.664 -20.333 -20.333 231 HH TYR 30 HH TYR 30 8.068 -23.528 -23.528 232 H PHE 31 H PHE 31 6.470 -15.182 -15.182 233 HA PHE 31 HA PHE 31 5.705 -14.152 -14.152 234 1HB PHE 31 HB2 PHE 31 3.968 -12.786 -12.786 235 2HB PHE 31 HB1 PHE 31 3.613 -14.261 -14.261 236 HD1 PHE 31 HD2 PHE 31 4.535 -14.424 -14.424 237 HD2 PHE 31 HD1 PHE 31 4.010 -10.721 -10.721 238 HE1 PHE 31 HE2 PHE 31 4.468 -13.169 -13.169 239 HE2 PHE 31 HE1 PHE 31 3.944 -9.475 -9.475 240 HZ PHE 31 HZ PHE 31 4.172 -10.696 -10.696 241 H TYR 32 H TYR 32 6.707 -12.130 -12.130 242 HA TYR 32 HA TYR 32 8.962 -11.611 -11.611 243 1HB TYR 32 HB1 TYR 32 9.003 -11.552 -11.552 244 2HB TYR 32 HB2 TYR 32 8.134 -10.031 -10.031 245 HD1 TYR 32 HD2 TYR 32 9.178 -8.002 -8.002 246 HD2 TYR 32 HD1 TYR 32 11.414 -11.650 -11.650 247 HE1 TYR 32 HE2 TYR 32 11.302 -6.748 -6.748 248 HE2 TYR 32 HE1 TYR 32 13.535 -10.395 -10.395 249 HH TYR 32 HH TYR 32 14.434 -8.301 -8.301 250 H ASN 33 H ASN 33 8.331 -10.711 -10.711 251 HA ASN 33 HA ASN 33 6.346 -8.532 -8.532 252 1HB ASN 33 HB2 ASN 33 6.704 -10.453 -10.453 253 2HB ASN 33 HB1 ASN 33 7.970 -9.363 -9.363 254 1HD2 ASN 33 HD2 ASN 33 4.915 -8.557 -8.557 255 2HD2 ASN 33 HD2 ASN 33 6.070 -9.881 -9.881 256 H ASN 34 H ASN 34 6.858 -6.405 -6.405 257 HA ASN 34 HA ASN 34 9.604 -5.580 -5.580 258 1HB ASN 34 HB2 ASN 34 8.721 -3.370 -3.370 259 2HB ASN 34 HB1 ASN 34 7.496 -4.431 -4.431 260 1HD2 ASN 34 HD2 ASN 34 6.612 -1.929 -1.929 261 2HD2 ASN 34 HD2 ASN 34 8.097 -1.914 -1.914 262 H GLN 35 H GLN 35 7.386 -6.011 -6.011 263 HA GLN 35 HA GLN 35 8.396 -4.177 -4.177 264 1HB GLN 35 HB2 GLN 35 6.502 -6.082 -6.082 265 2HB GLN 35 HB1 GLN 35 7.792 -6.927 -6.927 266 1HG GLN 35 HG2 GLN 35 7.689 -5.482 -5.482 267 2HG GLN 35 HG1 GLN 35 7.356 -4.075 -4.075 268 1HE2 GLN 35 HE2 GLN 35 4.228 -6.633 -6.633 269 2HE2 GLN 35 HE2 GLN 35 5.861 -7.234 -7.234 270 H THR 36 H THR 36 9.720 -7.309 -7.309 271 HA THR 36 HA THR 36 12.181 -6.695 -6.695 272 HB THR 36 HB THR 36 12.425 -9.200 -9.200 273 HG1 THR 36 HG1 THR 36 9.844 -9.175 -9.175 274 1HG2 THR 36 HG2 THR 36 9.931 -7.713 -7.713 275 2HG2 THR 36 HG2 THR 36 9.956 -9.475 -9.475 276 3HG2 THR 36 HG2 THR 36 11.183 -8.477 -8.477 277 H LYS 37 H LYS 37 11.151 -6.139 -6.139 278 HA LYS 37 HA LYS 37 11.800 -6.564 -6.564 279 1HB LYS 37 HB2 LYS 37 14.361 -5.820 -5.820 280 2HB LYS 37 HB1 LYS 37 14.169 -5.811 -5.811 281 1HG LYS 37 HG2 LYS 37 13.278 -3.743 -3.743 282 2HG LYS 37 HG1 LYS 37 11.934 -4.413 -4.413 283 1HD LYS 37 HD2 LYS 37 12.852 -2.725 -2.725 284 2HD LYS 37 HD1 LYS 37 13.530 -4.234 -4.234 285 1HE LYS 37 HE2 LYS 37 15.606 -3.403 -3.403 286 2HE LYS 37 HE1 LYS 37 15.283 -3.325 -3.325 287 1HZ LYS 37 HZ1 LYS 37 14.608 -1.238 -1.238 288 2HZ LYS 37 HZ3 LYS 37 15.882 -1.195 -1.195 289 3HZ LYS 37 HZ2 LYS 37 14.316 -1.149 -1.149 290 H GLN 38 H GLN 38 11.262 -9.015 -9.015 291 HA GLN 38 HA GLN 38 13.128 -10.626 -10.626 292 1HB GLN 38 HB2 GLN 38 13.614 -10.361 -10.361 293 2HB GLN 38 HB1 GLN 38 13.150 -12.031 -12.031 294 1HG GLN 38 HG2 GLN 38 14.961 -12.300 -12.300 295 2HG GLN 38 HG1 GLN 38 15.207 -10.549 -10.549 296 1HE2 GLN 38 HE2 GLN 38 17.606 -10.369 -10.369 297 2HE2 GLN 38 HE2 GLN 38 16.818 -9.703 -9.703 298 H CYS 39 H CYS 39 12.476 -13.142 -13.142 299 HA CYS 39 HA CYS 39 9.587 -13.143 -13.143 300 1HB CYS 39 HB2 CYS 39 11.717 -15.268 -15.268 301 2HB CYS 39 HB1 CYS 39 9.988 -15.625 -15.625 302 HG CYS 39 HG CYS 39 12.137 -14.139 -14.139 303 H GLU 40 H GLU 40 8.106 -13.474 -13.474 304 HA GLU 40 HA GLU 40 9.097 -14.742 -14.742 305 1HB GLU 40 HB2 GLU 40 6.659 -12.959 -12.959 306 2HB GLU 40 HB1 GLU 40 7.649 -13.390 -13.390 307 1HG GLU 40 HG2 GLU 40 8.570 -11.686 -11.686 308 2HG GLU 40 HG1 GLU 40 8.037 -11.047 -11.047 309 H ARG 41 H ARG 41 7.794 -16.340 -16.340 310 HA ARG 41 HA ARG 41 6.141 -17.823 -17.823 311 1HB ARG 41 HB2 ARG 41 7.542 -18.358 -18.358 312 2HB ARG 41 HB1 ARG 41 5.838 -18.800 -18.800 313 1HG ARG 41 HG2 ARG 41 5.911 -20.432 -20.432 314 2HG ARG 41 HG1 ARG 41 7.246 -19.639 -19.639 315 1HD ARG 41 HD2 ARG 41 8.557 -21.233 -21.233 316 2HD ARG 41 HD1 ARG 41 8.394 -20.265 -20.265 317 HE ARG 41 HE ARG 41 6.119 -21.825 -21.825 318 1HH1 ARG 41 HH1 ARG 41 9.579 -22.499 -22.499 319 2HH1 ARG 41 HH1 ARG 41 9.493 -24.100 -24.100 320 1HH2 ARG 41 HH2 ARG 41 5.980 -23.946 -23.946 321 2HH2 ARG 41 HH2 ARG 41 7.437 -24.926 -24.926 322 H PHE 42 H PHE 42 4.059 -17.314 -17.314 323 HA PHE 42 HA PHE 42 2.375 -16.278 -16.278 324 1HB PHE 42 HB2 PHE 42 1.504 -14.626 -14.626 325 2HB PHE 42 HB1 PHE 42 3.146 -14.658 -14.658 326 HD1 PHE 42 HD2 PHE 42 3.632 -16.104 -16.104 327 HD2 PHE 42 HD1 PHE 42 -0.333 -14.890 -14.890 328 HE1 PHE 42 HE2 PHE 42 2.795 -16.484 -16.484 329 HE2 PHE 42 HE1 PHE 42 -1.161 -15.273 -15.273 330 HZ PHE 42 HZ PHE 42 0.400 -16.069 -16.069 331 H LYS 43 H LYS 43 0.188 -16.981 -16.981 332 HA LYS 43 HA LYS 43 -0.170 -19.630 -19.630 333 1HB LYS 43 HB2 LYS 43 -1.562 -17.769 -17.769 334 2HB LYS 43 HB1 LYS 43 -2.708 -18.592 -18.592 335 1HG LYS 43 HG2 LYS 43 -2.604 -20.167 -20.167 336 2HG LYS 43 HG1 LYS 43 -1.225 -20.721 -20.721 337 1HD LYS 43 HD2 LYS 43 -0.373 -20.625 -20.625 338 2HD LYS 43 HD1 LYS 43 0.188 -19.111 -19.111 339 1HE LYS 43 HE2 LYS 43 -1.374 -17.815 -17.815 340 2HE LYS 43 HE1 LYS 43 -2.454 -19.197 -19.197 341 1HZ LYS 43 HZ1 LYS 43 0.208 -18.808 -18.808 342 2HZ LYS 43 HZ3 LYS 43 -1.265 -18.574 -18.574 343 3HZ LYS 43 HZ2 LYS 43 -0.803 -20.096 -20.096 344 H TYR 44 H TYR 44 -1.907 -20.378 -20.378 345 HA TYR 44 HA TYR 44 -2.505 -18.276 -18.276 346 1HB TYR 44 HB1 TYR 44 -0.555 -19.427 -19.427 347 2HB TYR 44 HB2 TYR 44 -1.225 -20.999 -20.999 348 HD1 TYR 44 HD2 TYR 44 -3.275 -18.317 -18.317 349 HD2 TYR 44 HD1 TYR 44 -1.033 -21.957 -21.957 350 HE1 TYR 44 HE2 TYR 44 -4.256 -18.516 -18.516 351 HE2 TYR 44 HE1 TYR 44 -2.015 -22.154 -22.154 352 HH TYR 44 HH TYR 44 -3.099 -20.623 -20.623 353 H GLY 45 H GLY 45 -4.624 -18.211 -18.211 354 1HA GLY 45 HA1 GLY 45 -6.445 -20.151 -20.151 355 2HA GLY 45 HA2 GLY 45 -6.866 -18.784 -18.784 356 H GLY 46 H GLY 46 -6.049 -19.082 -19.082 357 1HA GLY 46 HA1 GLY 46 -5.380 -21.062 -21.062 358 2HA GLY 46 HA2 GLY 46 -6.810 -21.853 -21.853 359 H CYS 47 H CYS 47 -8.782 -21.481 -21.481 360 HA CYS 47 HA CYS 47 -9.474 -20.726 -20.726 361 1HB CYS 47 HB2 CYS 47 -11.343 -19.183 -19.183 362 2HB CYS 47 HB1 CYS 47 -11.287 -20.882 -20.882 363 HG CYS 47 HG CYS 47 -11.521 -18.254 -18.254 364 H LEU 48 H LEU 48 -9.997 -17.707 -17.707 365 HA LEU 48 HA LEU 48 -9.068 -16.149 -16.149 366 1HB LEU 48 HB2 LEU 48 -10.712 -15.573 -15.573 367 2HB LEU 48 HB1 LEU 48 -9.306 -15.223 -15.223 368 HG LEU 48 HG LEU 48 -8.677 -13.734 -13.734 369 1HD1 LEU 48 HD1 LEU 48 -11.722 -13.752 -13.752 370 2HD1 LEU 48 HD1 LEU 48 -10.691 -12.572 -12.572 371 3HD1 LEU 48 HD1 LEU 48 -10.636 -14.290 -14.290 372 1HD2 LEU 48 HD2 LEU 48 -8.827 -12.899 -12.899 373 2HD2 LEU 48 HD2 LEU 48 -9.644 -11.765 -11.765 374 3HD2 LEU 48 HD2 LEU 48 -10.599 -12.865 -12.865 375 H GLY 49 H GLY 49 -7.596 -14.390 -14.390 376 1HA GLY 49 HA1 GLY 49 -5.399 -14.558 -14.558 377 2HA GLY 49 HA2 GLY 49 -4.962 -15.792 -15.792 378 H ASN 50 H ASN 50 -3.086 -14.557 -14.557 379 HA ASN 50 HA ASN 50 -3.749 -12.502 -12.502 380 1HB ASN 50 HB2 ASN 50 -2.335 -10.802 -10.802 381 2HB ASN 50 HB1 ASN 50 -3.306 -11.336 -11.336 382 1HD2 ASN 50 HD2 ASN 50 0.263 -11.051 -11.051 383 2HD2 ASN 50 HD2 ASN 50 -0.987 -9.987 -9.987 384 H MET 51 H MET 51 -0.940 -11.626 -11.626 385 HA MET 51 HA MET 51 0.089 -13.988 -13.988 386 1HB MET 51 HB2 MET 51 0.844 -11.058 -11.058 387 2HB MET 51 HB1 MET 51 1.952 -12.242 -12.242 388 1HG MET 51 HG2 MET 51 -0.920 -12.222 -12.222 389 2HG MET 51 HG1 MET 51 0.145 -10.919 -10.919 390 1HE MET 51 HE1 MET 51 2.985 -12.172 -12.172 391 2HE MET 51 HE3 MET 51 2.977 -12.823 -12.823 392 3HE MET 51 HE2 MET 51 2.240 -11.246 -11.246 393 H ASN 52 H ASN 52 1.329 -11.604 -11.604 394 HA ASN 52 HA ASN 52 3.678 -13.065 -13.065 395 1HB ASN 52 HB2 ASN 52 2.841 -10.632 -10.632 396 2HB ASN 52 HB1 ASN 52 2.175 -11.490 -11.490 397 1HD2 ASN 52 HD2 ASN 52 5.345 -10.583 -10.583 398 2HD2 ASN 52 HD2 ASN 52 3.664 -10.084 -10.084 399 H ASN 53 H ASN 53 2.751 -15.303 -15.303 400 HA ASN 53 HA ASN 53 2.133 -16.119 -16.119 401 1HB ASN 53 HB2 ASN 53 -0.140 -15.812 -15.812 402 2HB ASN 53 HB1 ASN 53 0.244 -16.588 -16.588 403 1HD2 ASN 53 HD2 ASN 53 -0.559 -19.795 -19.795 404 2HD2 ASN 53 HD2 ASN 53 -0.272 -18.624 -18.624 405 H PHE 54 H PHE 54 4.470 -16.722 -16.722 406 HA PHE 54 HA PHE 54 4.745 -18.938 -18.938 407 1HB PHE 54 HB2 PHE 54 6.638 -17.973 -17.973 408 2HB PHE 54 HB1 PHE 54 7.029 -18.984 -18.984 409 HD1 PHE 54 HD1 PHE 54 6.254 -15.516 -15.516 410 HD2 PHE 54 HD2 PHE 54 7.258 -18.075 -18.075 411 HE1 PHE 54 HE1 PHE 54 6.796 -13.518 -13.518 412 HE2 PHE 54 HE2 PHE 54 7.799 -16.070 -16.070 413 HZ PHE 54 HZ PHE 54 7.570 -13.791 -13.791 414 H GLU 55 H GLU 55 5.833 -21.030 -21.030 415 HA GLU 55 HA GLU 55 4.281 -21.973 -21.973 416 1HB GLU 55 HB2 GLU 55 5.553 -23.657 -23.657 417 2HB GLU 55 HB1 GLU 55 4.445 -24.212 -24.212 418 1HG GLU 55 HG2 GLU 55 2.791 -22.456 -22.456 419 2HG GLU 55 HG1 GLU 55 3.872 -22.454 -22.454 420 H THR 56 H THR 56 7.510 -21.755 -21.755 421 HA THR 56 HA THR 56 8.663 -22.746 -22.746 422 HB THR 56 HB THR 56 10.670 -23.347 -23.347 423 HG1 THR 56 HG1 THR 56 9.826 -23.630 -23.630 424 1HG2 THR 56 HG2 THR 56 8.036 -24.763 -24.763 425 2HG2 THR 56 HG2 THR 56 9.070 -25.391 -25.391 426 3HG2 THR 56 HG2 THR 56 9.688 -25.333 -25.333 427 H LEU 57 H LEU 57 10.423 -21.577 -21.577 428 HA LEU 57 HA LEU 57 10.365 -18.807 -18.807 429 1HB LEU 57 HB2 LEU 57 11.107 -20.034 -20.034 430 2HB LEU 57 HB1 LEU 57 12.627 -20.392 -20.392 431 HG LEU 57 HG LEU 57 12.726 -17.809 -17.809 432 1HD1 LEU 57 HD1 LEU 57 10.903 -18.039 -18.039 433 2HD1 LEU 57 HD1 LEU 57 11.760 -16.557 -16.557 434 3HD1 LEU 57 HD1 LEU 57 10.518 -17.271 -17.271 435 1HD2 LEU 57 HD2 LEU 57 14.384 -19.101 -19.101 436 2HD2 LEU 57 HD2 LEU 57 13.988 -17.599 -17.599 437 3HD2 LEU 57 HD2 LEU 57 13.311 -19.150 -19.150 438 H GLU 58 H GLU 58 12.783 -21.275 -21.275 439 HA GLU 58 HA GLU 58 14.473 -19.534 -19.534 440 1HB GLU 58 HB2 GLU 58 14.383 -22.242 -22.242 441 2HB GLU 58 HB1 GLU 58 13.993 -22.133 -22.133 442 1HG GLU 58 HG2 GLU 58 16.031 -20.747 -20.747 443 2HG GLU 58 HG1 GLU 58 16.406 -20.876 -20.876 444 H GLU 59 H GLU 59 11.319 -20.916 -20.916 445 HA GLU 59 HA GLU 59 11.477 -20.149 -20.149 446 1HB GLU 59 HB2 GLU 59 9.880 -21.825 -21.825 447 2HB GLU 59 HB1 GLU 59 9.142 -20.785 -20.785 448 1HG GLU 59 HG2 GLU 59 7.713 -19.971 -19.971 449 2HG GLU 59 HG1 GLU 59 9.082 -19.389 -19.389 450 H CYS 60 H CYS 60 10.067 -18.607 -18.607 451 HA CYS 60 HA CYS 60 9.099 -16.321 -16.321 452 1HB CYS 60 HB2 CYS 60 8.162 -16.927 -16.927 453 2HB CYS 60 HB1 CYS 60 9.742 -16.794 -16.794 454 HG CYS 60 HG CYS 60 8.871 -14.458 -14.458 455 H LYS 61 H LYS 61 12.236 -17.296 -17.296 456 HA LYS 61 HA LYS 61 13.308 -14.605 -14.605 457 1HB LYS 61 HB2 LYS 61 14.757 -17.259 -17.259 458 2HB LYS 61 HB1 LYS 61 15.432 -15.657 -15.657 459 1HG LYS 61 HG2 LYS 61 13.036 -15.839 -15.839 460 2HG LYS 61 HG1 LYS 61 13.824 -17.420 -17.420 461 1HD LYS 61 HD2 LYS 61 15.397 -16.548 -16.548 462 2HD LYS 61 HD1 LYS 61 15.764 -15.252 -15.252 463 1HE LYS 61 HE2 LYS 61 14.884 -13.873 -13.873 464 2HE LYS 61 HE1 LYS 61 13.313 -14.456 -14.456 465 1HZ LYS 61 HZ1 LYS 61 14.887 -15.634 -15.634 466 2HZ LYS 61 HZ3 LYS 61 13.532 -14.671 -14.671 467 3HZ LYS 61 HZ2 LYS 61 13.409 -16.177 -16.177 468 H ASN 62 H ASN 62 13.665 -17.576 -17.576 469 HA ASN 62 HA ASN 62 15.400 -16.523 -16.523 470 1HB ASN 62 HB2 ASN 62 13.836 -18.856 -18.856 471 2HB ASN 62 HB1 ASN 62 13.259 -18.131 -18.131 472 1HD2 ASN 62 HD2 ASN 62 16.889 -20.000 -20.000 473 2HD2 ASN 62 HD2 ASN 62 15.729 -19.845 -19.845 474 H ILE 63 H ILE 63 11.814 -16.294 -16.294 475 HA ILE 63 HA ILE 63 11.611 -14.825 -14.825 476 HB ILE 63 HB ILE 63 9.765 -15.661 -15.661 477 1HG1 ILE 63 HG1 ILE 63 10.374 -17.199 -17.199 478 2HG1 ILE 63 HG1 ILE 63 8.634 -16.853 -16.853 479 1HG2 ILE 63 HG2 ILE 63 9.046 -13.670 -13.670 480 2HG2 ILE 63 HG2 ILE 63 7.872 -14.514 -14.514 481 3HG2 ILE 63 HG2 ILE 63 9.040 -13.378 -13.378 482 1HD1 ILE 63 HD1 ILE 63 10.675 -15.509 -15.509 483 2HD1 ILE 63 HD1 ILE 63 9.505 -16.772 -16.772 484 3HD1 ILE 63 HD1 ILE 63 8.933 -15.168 -15.168 485 H CYS 64 H CYS 64 11.168 -14.005 -14.005 486 HA CYS 64 HA CYS 64 11.121 -11.173 -11.173 487 1HB CYS 64 HB2 CYS 64 11.421 -12.412 -12.412 488 2HB CYS 64 HB1 CYS 64 10.801 -10.802 -10.802 489 HG CYS 64 HG CYS 64 8.287 -11.547 -11.547 490 H GLU 65 H GLU 65 13.139 -12.735 -12.735 491 HA GLU 65 HA GLU 65 15.180 -10.975 -10.975 492 1HB GLU 65 HB2 GLU 65 15.117 -13.958 -13.958 493 2HB GLU 65 HB1 GLU 65 16.700 -13.156 -13.156 494 1HG GLU 65 HG2 GLU 65 15.357 -11.523 -11.523 495 2HG GLU 65 HG1 GLU 65 14.520 -13.055 -13.055 496 H ASP 66 H ASP 66 14.474 -13.223 -13.223 497 HA ASP 66 HA ASP 66 15.642 -13.689 -13.689 498 1HB ASP 66 HB2 ASP 66 16.258 -11.579 -11.579 499 2HB ASP 66 HB1 ASP 66 14.573 -11.690 -11.690 500 H GLY 67 H GLY 67 17.409 -14.738 -14.738 501 1HA GLY 67 HA1 GLY 67 19.816 -13.293 -13.293 502 2HA GLY 67 HA2 GLY 67 19.643 -15.054 -15.054 503 HA PRO 68 HA PRO 68 21.591 -14.914 -14.914 504 1HB PRO 68 HB2 PRO 68 20.036 -16.723 -16.723 505 2HB PRO 68 HB1 PRO 68 21.264 -17.212 -17.212 506 1HG PRO 68 HG2 PRO 68 18.330 -17.302 -17.302 507 2HG PRO 68 HG1 PRO 68 19.556 -18.150 -18.150 508 1HD PRO 68 HD2 PRO 68 17.998 -15.879 -15.879 509 2HD PRO 68 HD1 PRO 68 19.300 -16.673 -16.673 510 H ASN 69 H ASN 69 20.581 -12.600 -12.600 511 HA ASN 69 HA ASN 69 19.451 -10.922 -10.922 512 1HB ASN 69 HB2 ASN 69 19.611 -11.528 -11.528 513 2HB ASN 69 HB1 ASN 69 20.947 -10.830 -10.830 514 1HD2 ASN 69 HD2 ASN 69 21.398 -14.334 -14.334 515 2HD2 ASN 69 HD2 ASN 69 20.205 -13.077 -13.077 516 H GLY 70 H GLY 70 18.743 -13.285 -13.285 517 1HA GLY 70 HA1 GLY 70 15.964 -12.585 -12.585 518 2HA GLY 70 HA2 GLY 70 16.731 -13.960 -13.960 519 H PHE 71 H PHE 71 15.686 -15.824 -15.824 520 HA PHE 71 HA PHE 71 15.717 -17.142 -17.142 521 1HB PHE 71 HB2 PHE 71 13.384 -16.555 -16.555 522 2HB PHE 71 HB1 PHE 71 14.746 -15.523 -15.523 523 HD1 PHE 71 HD1 PHE 71 13.299 -15.307 -15.307 524 HD2 PHE 71 HD2 PHE 71 13.255 -13.651 -13.651 525 HE1 PHE 71 HE1 PHE 71 12.094 -13.304 -13.304 526 HE2 PHE 71 HE2 PHE 71 12.049 -11.651 -11.651 527 HZ PHE 71 HZ PHE 71 11.466 -11.474 -11.474 Start of MODEL 2 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.445 0.195 0.195 3 1HB ASP 1 HB2 ASP 1 4.092 0.615 0.615 4 2HB ASP 1 HB1 ASP 1 2.878 1.908 1.908 5 H TYR 2 H TYR 2 3.233 -1.497 -1.497 6 HA TYR 2 HA TYR 2 4.427 -3.307 -3.307 7 1HB TYR 2 HB1 TYR 2 5.247 -2.455 -2.455 8 2HB TYR 2 HB2 TYR 2 4.455 -3.949 -3.949 9 HD1 TYR 2 HD2 TYR 2 5.270 -6.162 -6.162 10 HD2 TYR 2 HD1 TYR 2 7.355 -2.518 -2.518 11 HE1 TYR 2 HE2 TYR 2 7.271 -7.485 -7.485 12 HE2 TYR 2 HE1 TYR 2 9.354 -3.842 -3.842 13 HH TYR 2 HH TYR 2 10.012 -6.146 -6.146 14 H LYS 3 H LYS 3 2.014 -3.646 -3.646 15 HA LYS 3 HA LYS 3 1.352 -6.302 -6.302 16 1HB LYS 3 HB2 LYS 3 -0.846 -5.929 -5.929 17 2HB LYS 3 HB1 LYS 3 0.616 -5.671 -5.671 18 1HG LYS 3 HG2 LYS 3 0.278 -3.159 -3.159 19 2HG LYS 3 HG1 LYS 3 -1.410 -3.702 -3.702 20 1HD LYS 3 HD2 LYS 3 -1.629 -3.520 -3.520 21 2HD LYS 3 HD1 LYS 3 -0.187 -4.518 -4.518 22 1HE LYS 3 HE2 LYS 3 1.261 -2.592 -2.592 23 2HE LYS 3 HE1 LYS 3 -0.051 -1.571 -1.571 24 1HZ LYS 3 HZ1 LYS 3 0.062 -2.796 -2.796 25 2HZ LYS 3 HZ3 LYS 3 0.359 -1.193 -1.193 26 3HZ LYS 3 HZ2 LYS 3 -1.162 -1.829 -1.829 27 H ASP 4 H ASP 4 0.083 -3.061 -3.061 28 HA ASP 4 HA ASP 4 -1.149 -4.361 -4.361 29 1HB ASP 4 HB2 ASP 4 -2.838 -3.501 -3.501 30 2HB ASP 4 HB1 ASP 4 -2.072 -1.902 -1.902 31 H ASP 5 H ASP 5 -0.955 -3.220 -3.220 32 HA ASP 5 HA ASP 5 -0.240 -1.448 -1.448 33 1HB ASP 5 HB2 ASP 5 -0.086 -0.086 -0.086 34 2HB ASP 5 HB1 ASP 5 1.637 -0.503 -0.503 35 H ASP 6 H ASP 6 1.750 -3.425 -3.425 36 HA ASP 6 HA ASP 6 4.258 -3.185 -3.185 37 1HB ASP 6 HB2 ASP 6 4.228 -4.404 -4.404 38 2HB ASP 6 HB1 ASP 6 2.833 -5.376 -5.376 39 H ASP 7 H ASP 7 2.045 -6.032 -6.032 40 HA ASP 7 HA ASP 7 1.898 -5.872 -5.872 41 1HB ASP 7 HB2 ASP 7 4.174 -7.357 -7.357 42 2HB ASP 7 HB1 ASP 7 3.259 -8.212 -8.212 43 H LYS 8 H LYS 8 0.698 -7.692 -7.692 44 HA LYS 8 HA LYS 8 -0.606 -9.265 -9.265 45 1HB LYS 8 HB2 LYS 8 -1.712 -8.096 -8.096 46 2HB LYS 8 HB1 LYS 8 -2.543 -9.396 -9.396 47 1HG LYS 8 HG2 LYS 8 -1.616 -6.998 -6.998 48 2HG LYS 8 HG1 LYS 8 -3.019 -6.795 -6.795 49 1HD LYS 8 HD2 LYS 8 -3.024 -9.226 -9.226 50 2HD LYS 8 HD1 LYS 8 -3.168 -7.677 -7.677 51 1HE LYS 8 HE2 LYS 8 -5.411 -8.196 -8.196 52 2HE LYS 8 HE1 LYS 8 -4.993 -7.160 -7.160 53 1HZ LYS 8 HZ1 LYS 8 -4.945 -10.116 -10.116 54 2HZ LYS 8 HZ3 LYS 8 -6.118 -9.155 -9.155 55 3HZ LYS 8 HZ2 LYS 8 -4.568 -9.154 -9.154 56 H LEU 9 H LEU 9 1.923 -9.892 -9.892 57 HA LEU 9 HA LEU 9 2.827 -11.463 -11.463 58 1HB LEU 9 HB2 LEU 9 2.485 -13.708 -13.708 59 2HB LEU 9 HB1 LEU 9 2.800 -12.482 -12.482 60 HG LEU 9 HG LEU 9 0.037 -12.605 -12.605 61 1HD1 LEU 9 HD1 LEU 9 1.166 -15.433 -15.433 62 2HD1 LEU 9 HD1 LEU 9 -0.522 -15.008 -15.008 63 3HD1 LEU 9 HD1 LEU 9 0.126 -14.676 -14.676 64 1HD2 LEU 9 HD2 LEU 9 1.282 -12.273 -12.273 65 2HD2 LEU 9 HD2 LEU 9 0.131 -13.624 -13.624 66 3HD2 LEU 9 HD2 LEU 9 1.860 -13.950 -13.950 67 H LYS 10 H LYS 10 0.589 -10.209 -10.209 68 HA LYS 10 HA LYS 10 -0.292 -12.490 -12.490 69 1HB LYS 10 HB2 LYS 10 -1.979 -10.808 -10.808 70 2HB LYS 10 HB1 LYS 10 -2.416 -10.654 -10.654 71 1HG LYS 10 HG2 LYS 10 -2.068 -13.360 -13.360 72 2HG LYS 10 HG1 LYS 10 -2.616 -12.993 -12.993 73 1HD LYS 10 HD2 LYS 10 -4.218 -11.561 -11.561 74 2HD LYS 10 HD1 LYS 10 -4.200 -13.297 -13.297 75 1HE LYS 10 HE2 LYS 10 -5.853 -13.446 -13.446 76 2HE LYS 10 HE1 LYS 10 -4.551 -13.263 -13.263 77 1HZ LYS 10 HZ1 LYS 10 -6.131 -11.067 -11.067 78 2HZ LYS 10 HZ3 LYS 10 -6.319 -11.694 -11.694 79 3HZ LYS 10 HZ2 LYS 10 -4.926 -10.887 -10.887 80 HA PRO 11 HA PRO 11 0.979 -9.873 -9.873 81 1HB PRO 11 HB2 PRO 11 -0.697 -10.841 -10.841 82 2HB PRO 11 HB1 PRO 11 0.782 -11.655 -11.655 83 1HG PRO 11 HG2 PRO 11 -2.038 -12.355 -12.355 84 2HG PRO 11 HG1 PRO 11 -0.576 -13.349 -13.349 85 1HD PRO 11 HD2 PRO 11 -2.124 -12.170 -12.170 86 2HD PRO 11 HD1 PRO 11 -0.604 -13.076 -13.076 87 H ASP 12 H ASP 12 0.541 -7.770 -7.770 88 HA ASP 12 HA ASP 12 -2.078 -6.675 -6.675 89 1HB ASP 12 HB2 ASP 12 0.412 -5.258 -5.258 90 2HB ASP 12 HB1 ASP 12 -1.013 -4.530 -4.530 91 H PHE 13 H PHE 13 0.113 -7.318 -7.318 92 HA PHE 13 HA PHE 13 -1.051 -5.716 -5.716 93 1HB PHE 13 HB2 PHE 13 -0.010 -7.172 -7.172 94 2HB PHE 13 HB1 PHE 13 1.030 -7.136 -7.136 95 HD1 PHE 13 HD1 PHE 13 -1.775 -9.211 -9.211 96 HD2 PHE 13 HD2 PHE 13 1.815 -9.127 -9.127 97 HE1 PHE 13 HE1 PHE 13 -1.820 -11.690 -11.690 98 HE2 PHE 13 HE2 PHE 13 1.762 -11.607 -11.607 99 HZ PHE 13 HZ PHE 13 -0.054 -12.891 -12.891 100 H CYS 14 H CYS 14 -2.194 -8.705 -8.705 101 HA CYS 14 HA CYS 14 -4.134 -9.372 -9.372 102 1HB CYS 14 HB2 CYS 14 -3.824 -10.012 -10.012 103 2HB CYS 14 HB1 CYS 14 -5.231 -10.566 -10.566 104 HG CYS 14 HG CYS 14 -3.580 -12.798 -12.798 105 H PHE 15 H PHE 15 -4.163 -7.243 -7.243 106 HA PHE 15 HA PHE 15 -7.032 -6.644 -6.644 107 1HB PHE 15 HB2 PHE 15 -4.892 -5.068 -5.068 108 2HB PHE 15 HB1 PHE 15 -6.611 -5.151 -5.151 109 HD1 PHE 15 HD1 PHE 15 -7.258 -8.009 -8.009 110 HD2 PHE 15 HD2 PHE 15 -3.735 -5.949 -5.949 111 HE1 PHE 15 HE1 PHE 15 -6.871 -9.816 -9.816 112 HE2 PHE 15 HE2 PHE 15 -3.356 -7.762 -7.762 113 HZ PHE 15 HZ PHE 15 -4.921 -9.697 -9.697 114 H LEU 16 H LEU 16 -4.391 -5.917 -5.917 115 HA LEU 16 HA LEU 16 -5.040 -3.128 -3.128 116 1HB LEU 16 HB2 LEU 16 -2.845 -4.677 -4.677 117 2HB LEU 16 HB1 LEU 16 -3.465 -4.530 -4.530 118 HG LEU 16 HG LEU 16 -3.590 -1.990 -1.990 119 1HD1 LEU 16 HD1 LEU 16 -1.392 -2.995 -2.995 120 2HD1 LEU 16 HD1 LEU 16 -1.688 -1.283 -1.283 121 3HD1 LEU 16 HD1 LEU 16 -2.912 -2.213 -2.213 122 1HD2 LEU 16 HD2 LEU 16 -2.261 -2.870 -2.870 123 2HD2 LEU 16 HD2 LEU 16 -1.316 -1.649 -1.649 124 3HD2 LEU 16 HD2 LEU 16 -0.978 -3.377 -3.377 125 H GLU 17 H GLU 17 -6.088 -2.217 -2.217 126 HA GLU 17 HA GLU 17 -8.334 -3.576 -3.576 127 1HB GLU 17 HB2 GLU 17 -6.943 -1.450 -1.450 128 2HB GLU 17 HB1 GLU 17 -8.681 -1.783 -1.783 129 1HG GLU 17 HG2 GLU 17 -8.244 -1.245 -1.245 130 2HG GLU 17 HG1 GLU 17 -6.828 -0.389 -0.389 131 H GLU 18 H GLU 18 -8.776 -3.908 -3.908 132 HA GLU 18 HA GLU 18 -6.881 -5.976 -5.976 133 1HB GLU 18 HB2 GLU 18 -8.519 -6.762 -6.762 134 2HB GLU 18 HB1 GLU 18 -9.511 -5.974 -5.974 135 1HG GLU 18 HG2 GLU 18 -9.077 -3.867 -3.867 136 2HG GLU 18 HG1 GLU 18 -8.994 -5.198 -5.198 137 H ASP 19 H ASP 19 -5.609 -6.007 -6.007 138 HA ASP 19 HA ASP 19 -5.523 -3.488 -3.488 139 1HB ASP 19 HB2 ASP 19 -3.766 -3.689 -3.689 140 2HB ASP 19 HB1 ASP 19 -2.990 -4.859 -4.859 141 HA PRO 20 HA PRO 20 -5.389 -7.022 -7.022 142 1HB PRO 20 HB2 PRO 20 -6.535 -5.571 -5.571 143 2HB PRO 20 HB1 PRO 20 -7.471 -6.472 -6.472 144 1HG PRO 20 HG2 PRO 20 -7.098 -3.572 -3.572 145 2HG PRO 20 HG1 PRO 20 -8.330 -4.469 -4.469 146 1HD PRO 20 HD2 PRO 20 -6.052 -3.093 -3.093 147 2HD PRO 20 HD1 PRO 20 -7.234 -4.082 -4.082 148 H GLY 21 H GLY 21 -5.153 -4.151 -4.151 149 1HA GLY 21 HA1 GLY 21 -2.343 -3.878 -3.878 150 2HA GLY 21 HA2 GLY 21 -2.776 -5.114 -5.114 151 H ILE 22 H ILE 22 -1.820 -2.138 -2.138 152 HA ILE 22 HA ILE 22 -3.791 -0.440 -0.440 153 HB ILE 22 HB ILE 22 -1.119 -0.672 -0.672 154 1HG1 ILE 22 HG1 ILE 22 -1.833 0.118 0.118 155 2HG1 ILE 22 HG1 ILE 22 -0.411 -0.752 -0.752 156 1HG2 ILE 22 HG2 ILE 22 -2.906 1.719 1.719 157 2HG2 ILE 22 HG2 ILE 22 -1.267 1.812 1.812 158 3HG2 ILE 22 HG2 ILE 22 -2.574 1.012 1.012 159 1HD1 ILE 22 HD1 ILE 22 -0.970 2.236 2.236 160 2HD1 ILE 22 HD1 ILE 22 0.189 1.516 1.516 161 3HD1 ILE 22 HD1 ILE 22 0.465 1.378 1.378 162 H CYS 23 H CYS 23 -2.538 -3.334 -3.334 163 HA CYS 23 HA CYS 23 -3.570 -2.670 -2.670 164 1HB CYS 23 HB2 CYS 23 -2.638 -5.268 -5.268 165 2HB CYS 23 HB1 CYS 23 -3.148 -5.088 -5.088 166 HG CYS 23 HG CYS 23 -0.988 -2.767 -2.767 167 H ARG 24 H ARG 24 -4.483 -5.868 -5.868 168 HA ARG 24 HA ARG 24 -7.062 -5.350 -5.350 169 1HB ARG 24 HB2 ARG 24 -6.837 -5.656 -5.656 170 2HB ARG 24 HB1 ARG 24 -8.255 -6.291 -6.291 171 1HG ARG 24 HG2 ARG 24 -9.096 -4.192 -4.192 172 2HG ARG 24 HG1 ARG 24 -8.004 -3.755 -3.755 173 1HD ARG 24 HD2 ARG 24 -6.259 -3.534 -3.534 174 2HD ARG 24 HD1 ARG 24 -7.756 -3.243 -3.243 175 HE ARG 24 HE ARG 24 -6.449 -1.473 -1.473 176 1HH1 ARG 24 HH1 ARG 24 -9.595 -2.463 -2.463 177 2HH1 ARG 24 HH1 ARG 24 -10.399 -0.930 -0.930 178 1HH2 ARG 24 HH2 ARG 24 -7.494 0.569 0.569 179 2HH2 ARG 24 HH2 ARG 24 -9.199 0.802 0.802 180 H GLY 25 H GLY 25 -6.150 -7.629 -7.629 181 1HA GLY 25 HA1 GLY 25 -5.999 -9.930 -9.930 182 2HA GLY 25 HA2 GLY 25 -5.215 -9.767 -9.767 183 H TYR 26 H TYR 26 -6.561 -9.816 -9.816 184 HA TYR 26 HA TYR 26 -8.497 -10.344 -10.344 185 1HB TYR 26 HB1 TYR 26 -9.896 -10.762 -10.762 186 2HB TYR 26 HB2 TYR 26 -10.650 -10.538 -10.538 187 HD1 TYR 26 HD2 TYR 26 -8.398 -8.252 -8.252 188 HD2 TYR 26 HD1 TYR 26 -11.392 -8.877 -8.877 189 HE1 TYR 26 HE2 TYR 26 -8.537 -5.802 -5.802 190 HE2 TYR 26 HE1 TYR 26 -11.530 -6.428 -6.428 191 HH TYR 26 HH TYR 26 -9.740 -4.082 -4.082 192 H ILE 27 H ILE 27 -8.156 -12.226 -12.226 193 HA ILE 27 HA ILE 27 -8.493 -14.692 -14.692 194 HB ILE 27 HB ILE 27 -6.263 -14.329 -14.329 195 1HG1 ILE 27 HG1 ILE 27 -6.020 -14.300 -14.300 196 2HG1 ILE 27 HG1 ILE 27 -6.047 -12.840 -12.840 197 1HG2 ILE 27 HG2 ILE 27 -6.848 -16.509 -16.509 198 2HG2 ILE 27 HG2 ILE 27 -5.370 -16.404 -16.404 199 3HG2 ILE 27 HG2 ILE 27 -6.950 -16.649 -16.649 200 1HD1 ILE 27 HD1 ILE 27 -4.010 -15.116 -15.116 201 2HD1 ILE 27 HD1 ILE 27 -3.729 -13.518 -13.518 202 3HD1 ILE 27 HD1 ILE 27 -4.018 -13.651 -13.651 203 H THR 28 H THR 28 -10.019 -12.985 -12.985 204 HA THR 28 HA THR 28 -11.322 -13.316 -13.316 205 HB THR 28 HB THR 28 -11.135 -16.162 -16.162 206 HG1 THR 28 HG1 THR 28 -13.230 -15.384 -15.384 207 1HG2 THR 28 HG2 THR 28 -12.580 -14.993 -14.993 208 2HG2 THR 28 HG2 THR 28 -13.511 -16.038 -16.038 209 3HG2 THR 28 HG2 THR 28 -12.075 -16.683 -16.683 210 H ARG 29 H ARG 29 -9.170 -12.553 -12.553 211 HA ARG 29 HA ARG 29 -7.907 -14.686 -14.686 212 1HB ARG 29 HB2 ARG 29 -7.360 -11.695 -11.695 213 2HB ARG 29 HB1 ARG 29 -6.453 -12.800 -12.800 214 1HG ARG 29 HG2 ARG 29 -6.657 -12.887 -12.887 215 2HG ARG 29 HG1 ARG 29 -5.220 -12.481 -12.481 216 1HD ARG 29 HD2 ARG 29 -5.246 -14.799 -14.799 217 2HD ARG 29 HD1 ARG 29 -6.650 -15.181 -15.181 218 HE ARG 29 HE ARG 29 -5.265 -15.321 -15.321 219 1HH1 ARG 29 HH1 ARG 29 -3.543 -13.863 -13.863 220 2HH1 ARG 29 HH1 ARG 29 -1.953 -13.920 -13.920 221 1HH2 ARG 29 HH2 ARG 29 -3.167 -15.406 -15.406 222 2HH2 ARG 29 HH2 ARG 29 -1.738 -14.801 -14.801 223 H TYR 30 H TYR 30 -7.482 -14.044 -14.044 224 HA TYR 30 HA TYR 30 -10.030 -12.856 -12.856 225 1HB TYR 30 HB1 TYR 30 -8.487 -15.224 -15.224 226 2HB TYR 30 HB2 TYR 30 -9.915 -14.494 -14.494 227 HD1 TYR 30 HD1 TYR 30 -8.829 -16.137 -16.137 228 HD2 TYR 30 HD2 TYR 30 -12.041 -15.356 -15.356 229 HE1 TYR 30 HE1 TYR 30 -10.314 -17.648 -17.648 230 HE2 TYR 30 HE2 TYR 30 -13.526 -16.868 -16.868 231 HH TYR 30 HH TYR 30 -13.108 -18.980 -18.980 232 H PHE 31 H PHE 31 -9.886 -11.799 -11.799 233 HA PHE 31 HA PHE 31 -7.160 -11.177 -11.177 234 1HB PHE 31 HB2 PHE 31 -7.153 -8.923 -8.923 235 2HB PHE 31 HB1 PHE 31 -7.737 -9.633 -9.633 236 HD1 PHE 31 HD2 PHE 31 -10.286 -9.686 -9.686 237 HD2 PHE 31 HD1 PHE 31 -8.464 -7.245 -7.245 238 HE1 PHE 31 HE2 PHE 31 -12.306 -8.238 -8.238 239 HE2 PHE 31 HE1 PHE 31 -10.487 -5.804 -5.804 240 HZ PHE 31 HZ PHE 31 -12.410 -6.296 -6.296 241 H TYR 32 H TYR 32 -7.217 -10.625 -10.625 242 HA TYR 32 HA TYR 32 -9.787 -11.085 -11.085 243 1HB TYR 32 HB1 TYR 32 -7.401 -11.723 -11.723 244 2HB TYR 32 HB2 TYR 32 -7.257 -10.041 -10.041 245 HD1 TYR 32 HD1 TYR 32 -9.113 -13.207 -13.207 246 HD2 TYR 32 HD2 TYR 32 -8.419 -9.124 -9.124 247 HE1 TYR 32 HE1 TYR 32 -10.264 -13.665 -13.665 248 HE2 TYR 32 HE2 TYR 32 -9.571 -9.584 -9.584 249 HH TYR 32 HH TYR 32 -11.572 -12.060 -12.060 250 H ASN 33 H ASN 33 -11.352 -9.559 -9.559 251 HA ASN 33 HA ASN 33 -10.546 -6.709 -6.709 252 1HB ASN 33 HB2 ASN 33 -12.399 -7.896 -7.896 253 2HB ASN 33 HB1 ASN 33 -13.402 -7.699 -7.699 254 1HD2 ASN 33 HD2 ASN 33 -13.958 -4.742 -4.742 255 2HD2 ASN 33 HD2 ASN 33 -14.208 -6.490 -6.490 256 H ASN 34 H ASN 34 -10.399 -5.626 -5.626 257 HA ASN 34 HA ASN 34 -11.290 -6.734 -6.734 258 1HB ASN 34 HB2 ASN 34 -9.484 -5.107 -5.107 259 2HB ASN 34 HB1 ASN 34 -10.494 -3.913 -3.913 260 1HD2 ASN 34 HD2 ASN 34 -12.053 -2.643 -2.643 261 2HD2 ASN 34 HD2 ASN 34 -11.867 -2.644 -2.644 262 H GLN 35 H GLN 35 -12.802 -4.703 -4.703 263 HA GLN 35 HA GLN 35 -14.770 -3.412 -3.412 264 1HB GLN 35 HB2 GLN 35 -14.238 -3.693 -3.693 265 2HB GLN 35 HB1 GLN 35 -15.696 -4.699 -4.699 266 1HG GLN 35 HG2 GLN 35 -16.808 -2.724 -2.724 267 2HG GLN 35 HG1 GLN 35 -16.416 -2.485 -2.485 268 1HE2 GLN 35 HE2 GLN 35 -14.477 0.345 0.345 269 2HE2 GLN 35 HE2 GLN 35 -15.441 -0.687 -0.687 270 H THR 36 H THR 36 -14.677 -6.835 -6.835 271 HA THR 36 HA THR 36 -17.133 -7.322 -7.322 272 HB THR 36 HB THR 36 -17.461 -9.319 -9.319 273 HG1 THR 36 HG1 THR 36 -15.895 -9.651 -9.651 274 1HG2 THR 36 HG2 THR 36 -17.062 -6.530 -6.530 275 2HG2 THR 36 HG2 THR 36 -17.210 -7.867 -7.867 276 3HG2 THR 36 HG2 THR 36 -18.537 -7.534 -7.534 277 H LYS 37 H LYS 37 -13.747 -7.578 -7.578 278 HA LYS 37 HA LYS 37 -12.276 -8.669 -8.669 279 1HB LYS 37 HB2 LYS 37 -14.755 -9.180 -9.180 280 2HB LYS 37 HB1 LYS 37 -13.135 -9.689 -9.689 281 1HG LYS 37 HG2 LYS 37 -12.790 -7.606 -7.606 282 2HG LYS 37 HG1 LYS 37 -12.901 -6.987 -6.987 283 1HD LYS 37 HD2 LYS 37 -14.522 -5.793 -5.793 284 2HD LYS 37 HD1 LYS 37 -15.418 -6.914 -6.914 285 1HE LYS 37 HE2 LYS 37 -16.406 -7.710 -7.710 286 2HE LYS 37 HE1 LYS 37 -14.833 -8.392 -8.392 287 1HZ LYS 37 HZ1 LYS 37 -15.800 -5.679 -5.679 288 2HZ LYS 37 HZ3 LYS 37 -15.730 -6.981 -6.981 289 3HZ LYS 37 HZ2 LYS 37 -14.332 -6.315 -6.315 290 H GLN 38 H GLN 38 -12.864 -9.943 -9.943 291 HA GLN 38 HA GLN 38 -12.224 -12.651 -12.651 292 1HB GLN 38 HB2 GLN 38 -15.012 -12.112 -12.112 293 2HB GLN 38 HB1 GLN 38 -14.606 -12.955 -12.955 294 1HG GLN 38 HG2 GLN 38 -13.298 -14.606 -14.606 295 2HG GLN 38 HG1 GLN 38 -14.206 -13.871 -13.871 296 1HE2 GLN 38 HE2 GLN 38 -16.301 -15.846 -15.846 297 2HE2 GLN 38 HE2 GLN 38 -14.865 -14.874 -14.874 298 H CYS 39 H CYS 39 -12.317 -14.012 -14.012 299 HA CYS 39 HA CYS 39 -10.868 -12.383 -12.383 300 1HB CYS 39 HB2 CYS 39 -11.710 -15.279 -15.279 301 2HB CYS 39 HB1 CYS 39 -10.794 -14.531 -14.531 302 HG CYS 39 HG CYS 39 -8.865 -13.675 -13.675 303 H GLU 40 H GLU 40 -11.625 -11.380 -11.380 304 HA GLU 40 HA GLU 40 -14.366 -12.131 -12.131 305 1HB GLU 40 HB2 GLU 40 -13.192 -9.333 -9.333 306 2HB GLU 40 HB1 GLU 40 -14.858 -9.824 -9.824 307 1HG GLU 40 HG2 GLU 40 -13.571 -10.212 -10.212 308 2HG GLU 40 HG1 GLU 40 -14.446 -8.732 -8.732 309 H ARG 41 H ARG 41 -14.672 -12.480 -12.480 310 HA ARG 41 HA ARG 41 -12.342 -12.913 -12.913 311 1HB ARG 41 HB2 ARG 41 -15.190 -13.383 -13.383 312 2HB ARG 41 HB1 ARG 41 -14.617 -12.628 -12.628 313 1HG ARG 41 HG2 ARG 41 -13.340 -14.451 -14.451 314 2HG ARG 41 HG1 ARG 41 -12.903 -14.802 -14.802 315 1HD ARG 41 HD2 ARG 41 -14.305 -16.610 -16.610 316 2HD ARG 41 HD1 ARG 41 -15.482 -15.456 -15.456 317 HE ARG 41 HE ARG 41 -15.405 -14.861 -14.861 318 1HH1 ARG 41 HH1 ARG 41 -15.946 -17.799 -17.799 319 2HH1 ARG 41 HH1 ARG 41 -17.014 -18.558 -18.558 320 1HH2 ARG 41 HH2 ARG 41 -16.819 -15.847 -15.847 321 2HH2 ARG 41 HH2 ARG 41 -17.512 -17.443 -17.443 322 H PHE 42 H PHE 42 -11.490 -11.748 -11.748 323 HA PHE 42 HA PHE 42 -12.693 -9.205 -9.205 324 1HB PHE 42 HB2 PHE 42 -11.319 -7.702 -7.702 325 2HB PHE 42 HB1 PHE 42 -11.454 -8.878 -8.878 326 HD1 PHE 42 HD2 PHE 42 -9.612 -10.763 -10.763 327 HD2 PHE 42 HD1 PHE 42 -9.147 -7.041 -7.041 328 HE1 PHE 42 HE2 PHE 42 -7.141 -11.020 -11.020 329 HE2 PHE 42 HE1 PHE 42 -6.678 -7.307 -7.307 330 HZ PHE 42 HZ PHE 42 -5.671 -9.294 -9.294 331 H LYS 43 H LYS 43 -11.701 -8.428 -8.428 332 HA LYS 43 HA LYS 43 -10.449 -10.417 -10.417 333 1HB LYS 43 HB2 LYS 43 -11.444 -7.728 -7.728 334 2HB LYS 43 HB1 LYS 43 -9.910 -7.936 -7.936 335 1HG LYS 43 HG2 LYS 43 -11.364 -8.733 -8.733 336 2HG LYS 43 HG1 LYS 43 -11.078 -10.242 -10.242 337 1HD LYS 43 HD2 LYS 43 -13.410 -10.209 -10.209 338 2HD LYS 43 HD1 LYS 43 -13.134 -9.421 -9.421 339 1HE LYS 43 HE2 LYS 43 -13.496 -7.237 -7.237 340 2HE LYS 43 HE1 LYS 43 -13.405 -7.866 -7.866 341 1HZ LYS 43 HZ1 LYS 43 -15.499 -8.510 -8.510 342 2HZ LYS 43 HZ3 LYS 43 -15.657 -7.467 -7.467 343 3HZ LYS 43 HZ2 LYS 43 -15.431 -9.091 -9.091 344 H TYR 44 H TYR 44 -8.302 -9.099 -9.099 345 HA TYR 44 HA TYR 44 -6.383 -8.275 -8.275 346 1HB TYR 44 HB1 TYR 44 -6.363 -10.716 -10.716 347 2HB TYR 44 HB2 TYR 44 -6.125 -11.001 -11.001 348 HD1 TYR 44 HD2 TYR 44 -4.252 -8.123 -8.123 349 HD2 TYR 44 HD1 TYR 44 -4.165 -12.446 -12.446 350 HE1 TYR 44 HE2 TYR 44 -1.789 -8.077 -8.077 351 HE2 TYR 44 HE1 TYR 44 -1.704 -12.398 -12.398 352 HH TYR 44 HH TYR 44 0.132 -10.981 -10.981 353 H GLY 45 H GLY 45 -4.844 -10.011 -10.011 354 1HA GLY 45 HA1 GLY 45 -4.870 -8.846 -8.846 355 2HA GLY 45 HA2 GLY 45 -4.312 -7.445 -7.445 356 H GLY 46 H GLY 46 -2.379 -7.951 -7.951 357 1HA GLY 46 HA1 GLY 46 -0.522 -9.633 -9.633 358 2HA GLY 46 HA2 GLY 46 -0.470 -9.748 -9.748 359 H CYS 47 H CYS 47 0.110 -7.780 -7.780 360 HA CYS 47 HA CYS 47 2.317 -6.577 -6.577 361 1HB CYS 47 HB2 CYS 47 0.026 -4.630 -4.630 362 2HB CYS 47 HB1 CYS 47 1.571 -4.510 -4.510 363 HG CYS 47 HG CYS 47 0.452 -7.136 -7.136 364 H LEU 48 H LEU 48 -0.250 -4.960 -4.960 365 HA LEU 48 HA LEU 48 1.852 -4.572 -4.572 366 1HB LEU 48 HB2 LEU 48 0.433 -2.643 -2.643 367 2HB LEU 48 HB1 LEU 48 -0.205 -2.602 -2.602 368 HG LEU 48 HG LEU 48 2.704 -2.408 -2.408 369 1HD1 LEU 48 HD1 LEU 48 0.777 -0.157 -0.157 370 2HD1 LEU 48 HD1 LEU 48 2.545 0.019 0.019 371 3HD1 LEU 48 HD1 LEU 48 1.555 -0.444 -0.444 372 1HD2 LEU 48 HD2 LEU 48 2.368 -3.253 -3.253 373 2HD2 LEU 48 HD2 LEU 48 3.025 -1.594 -1.594 374 3HD2 LEU 48 HD2 LEU 48 1.304 -1.885 -1.885 375 H GLY 49 H GLY 49 0.094 -3.472 -3.472 376 1HA GLY 49 HA1 GLY 49 -2.208 -4.352 -4.352 377 2HA GLY 49 HA2 GLY 49 -1.438 -5.945 -5.945 378 H ASN 50 H ASN 50 -1.486 -6.402 -6.402 379 HA ASN 50 HA ASN 50 0.587 -4.965 -4.965 380 1HB ASN 50 HB2 ASN 50 -0.835 -4.637 -4.637 381 2HB ASN 50 HB1 ASN 50 -1.692 -3.932 -3.932 382 1HD2 ASN 50 HD2 ASN 50 -4.286 -5.785 -5.785 383 2HD2 ASN 50 HD2 ASN 50 -3.333 -4.301 -4.301 384 H MET 51 H MET 51 -0.163 -6.287 -6.287 385 HA MET 51 HA MET 51 0.859 -8.978 -8.978 386 1HB MET 51 HB2 MET 51 0.354 -7.584 -7.584 387 2HB MET 51 HB1 MET 51 1.126 -9.169 -9.169 388 1HG MET 51 HG2 MET 51 3.127 -8.197 -8.197 389 2HG MET 51 HG1 MET 51 2.399 -7.157 -7.157 390 1HE MET 51 HE1 MET 51 1.300 -4.791 -4.791 391 2HE MET 51 HE3 MET 51 2.328 -3.766 -3.766 392 3HE MET 51 HE2 MET 51 3.057 -4.750 -4.750 393 H ASN 52 H ASN 52 -1.928 -7.387 -7.387 394 HA ASN 52 HA ASN 52 -3.264 -9.830 -9.830 395 1HB ASN 52 HB2 ASN 52 -3.681 -7.302 -7.302 396 2HB ASN 52 HB1 ASN 52 -4.765 -7.293 -7.293 397 1HD2 ASN 52 HD2 ASN 52 -7.267 -8.332 -8.332 398 2HD2 ASN 52 HD2 ASN 52 -6.588 -7.035 -7.035 399 H ASN 53 H ASN 53 -2.613 -10.751 -10.751 400 HA ASN 53 HA ASN 53 -5.071 -10.580 -10.580 401 1HB ASN 53 HB2 ASN 53 -3.720 -9.097 -9.097 402 2HB ASN 53 HB1 ASN 53 -2.237 -10.007 -10.007 403 1HD2 ASN 53 HD2 ASN 53 -1.519 -11.384 -11.384 404 2HD2 ASN 53 HD2 ASN 53 -2.422 -12.039 -12.039 405 H PHE 54 H PHE 54 -5.393 -12.673 -12.673 406 HA PHE 54 HA PHE 54 -3.483 -14.857 -14.857 407 1HB PHE 54 HB2 PHE 54 -6.253 -14.926 -14.926 408 2HB PHE 54 HB1 PHE 54 -5.052 -16.205 -16.205 409 HD1 PHE 54 HD1 PHE 54 -5.984 -12.926 -12.926 410 HD2 PHE 54 HD2 PHE 54 -3.098 -16.147 -16.147 411 HE1 PHE 54 HE1 PHE 54 -5.044 -12.081 -12.081 412 HE2 PHE 54 HE2 PHE 54 -2.164 -15.294 -15.294 413 HZ PHE 54 HZ PHE 54 -3.135 -13.262 -13.262 414 H GLU 55 H GLU 55 -4.922 -17.000 -17.000 415 HA GLU 55 HA GLU 55 -6.243 -16.218 -16.218 416 1HB GLU 55 HB2 GLU 55 -4.756 -18.816 -18.816 417 2HB GLU 55 HB1 GLU 55 -5.393 -18.224 -18.224 418 1HG GLU 55 HG2 GLU 55 -3.825 -16.187 -16.187 419 2HG GLU 55 HG1 GLU 55 -3.050 -17.174 -17.174 420 H THR 56 H THR 56 -6.243 -18.277 -18.277 421 HA THR 56 HA THR 56 -9.013 -19.137 -19.137 422 HB THR 56 HB THR 56 -8.108 -21.088 -21.088 423 HG1 THR 56 HG1 THR 56 -5.958 -21.381 -21.381 424 1HG2 THR 56 HG2 THR 56 -8.070 -20.770 -20.770 425 2HG2 THR 56 HG2 THR 56 -7.159 -22.126 -22.126 426 3HG2 THR 56 HG2 THR 56 -8.908 -22.010 -22.010 427 H LEU 57 H LEU 57 -10.498 -19.385 -19.385 428 HA LEU 57 HA LEU 57 -10.219 -17.172 -17.172 429 1HB LEU 57 HB2 LEU 57 -12.318 -18.063 -18.063 430 2HB LEU 57 HB1 LEU 57 -12.205 -19.420 -19.420 431 HG LEU 57 HG LEU 57 -12.083 -17.530 -17.530 432 1HD1 LEU 57 HD1 LEU 57 -13.462 -16.060 -16.060 433 2HD1 LEU 57 HD1 LEU 57 -13.433 -15.519 -15.519 434 3HD1 LEU 57 HD1 LEU 57 -11.924 -15.626 -15.626 435 1HD2 LEU 57 HD2 LEU 57 -13.901 -19.174 -19.174 436 2HD2 LEU 57 HD2 LEU 57 -14.569 -17.555 -17.555 437 3HD2 LEU 57 HD2 LEU 57 -14.700 -18.245 -18.245 438 H GLU 58 H GLU 58 -10.075 -20.764 -20.764 439 HA GLU 58 HA GLU 58 -9.640 -20.759 -20.759 440 1HB GLU 58 HB2 GLU 58 -10.009 -22.708 -22.708 441 2HB GLU 58 HB1 GLU 58 -8.251 -22.840 -22.840 442 1HG GLU 58 HG2 GLU 58 -8.580 -23.035 -23.035 443 2HG GLU 58 HG1 GLU 58 -10.336 -22.940 -22.940 444 H GLU 59 H GLU 59 -7.448 -20.273 -20.273 445 HA GLU 59 HA GLU 59 -5.041 -20.492 -20.492 446 1HB GLU 59 HB2 GLU 59 -5.456 -20.545 -20.545 447 2HB GLU 59 HB1 GLU 59 -5.184 -18.797 -18.797 448 1HG GLU 59 HG2 GLU 59 -3.001 -19.209 -19.209 449 2HG GLU 59 HG1 GLU 59 -3.293 -20.959 -20.959 450 H CYS 60 H CYS 60 -7.062 -17.716 -17.716 451 HA CYS 60 HA CYS 60 -5.413 -15.715 -15.715 452 1HB CYS 60 HB2 CYS 60 -6.921 -14.986 -14.986 453 2HB CYS 60 HB1 CYS 60 -8.279 -15.855 -15.855 454 HG CYS 60 HG CYS 60 -7.266 -12.692 -12.692 455 H LYS 61 H LYS 61 -7.872 -17.876 -17.876 456 HA LYS 61 HA LYS 61 -8.085 -16.351 -16.351 457 1HB LYS 61 HB2 LYS 61 -9.234 -18.943 -18.943 458 2HB LYS 61 HB1 LYS 61 -9.358 -18.501 -18.501 459 1HG LYS 61 HG2 LYS 61 -10.241 -16.208 -16.208 460 2HG LYS 61 HG1 LYS 61 -10.510 -17.108 -17.108 461 1HD LYS 61 HD2 LYS 61 -11.876 -18.766 -18.766 462 2HD LYS 61 HD1 LYS 61 -11.658 -17.760 -17.760 463 1HE LYS 61 HE2 LYS 61 -13.401 -16.468 -16.468 464 2HE LYS 61 HE1 LYS 61 -12.578 -16.086 -16.086 465 1HZ LYS 61 HZ1 LYS 61 -14.240 -18.474 -18.474 466 2HZ LYS 61 HZ3 LYS 61 -14.698 -17.127 -17.127 467 3HZ LYS 61 HZ2 LYS 61 -13.487 -18.116 -18.116 468 H ASN 62 H ASN 62 -6.500 -19.385 -19.385 469 HA ASN 62 HA ASN 62 -5.448 -20.261 -20.261 470 1HB ASN 62 HB2 ASN 62 -5.155 -20.942 -20.942 471 2HB ASN 62 HB1 ASN 62 -3.521 -20.462 -20.462 472 1HD2 ASN 62 HD2 ASN 62 -2.847 -23.488 -23.488 473 2HD2 ASN 62 HD2 ASN 62 -2.314 -22.033 -22.033 474 H ILE 63 H ILE 63 -4.210 -17.806 -17.806 475 HA ILE 63 HA ILE 63 -1.832 -17.352 -17.352 476 HB ILE 63 HB ILE 63 -3.069 -16.164 -16.164 477 1HG1 ILE 63 HG1 ILE 63 -0.497 -16.649 -16.649 478 2HG1 ILE 63 HG1 ILE 63 -0.653 -17.774 -17.774 479 1HG2 ILE 63 HG2 ILE 63 -0.728 -14.928 -14.928 480 2HG2 ILE 63 HG2 ILE 63 -1.225 -14.496 -14.496 481 3HG2 ILE 63 HG2 ILE 63 -2.316 -14.191 -14.191 482 1HD1 ILE 63 HD1 ILE 63 -2.496 -17.653 -17.653 483 2HD1 ILE 63 HD1 ILE 63 -1.225 -18.871 -18.871 484 3HD1 ILE 63 HD1 ILE 63 -2.650 -18.795 -18.795 485 H CYS 64 H CYS 64 -4.884 -15.512 -15.512 486 HA CYS 64 HA CYS 64 -4.196 -13.604 -13.604 487 1HB CYS 64 HB2 CYS 64 -6.852 -13.822 -13.822 488 2HB CYS 64 HB1 CYS 64 -6.102 -12.401 -12.401 489 HG CYS 64 HG CYS 64 -6.114 -13.160 -13.160 490 H GLU 65 H GLU 65 -7.384 -15.215 -15.215 491 HA GLU 65 HA GLU 65 -8.294 -15.206 -15.206 492 1HB GLU 65 HB2 GLU 65 -8.601 -17.111 -17.111 493 2HB GLU 65 HB1 GLU 65 -9.031 -17.764 -17.764 494 1HG GLU 65 HG2 GLU 65 -10.163 -15.193 -15.193 495 2HG GLU 65 HG1 GLU 65 -10.432 -15.808 -15.808 496 H ASP 66 H ASP 66 -5.645 -17.232 -17.232 497 HA ASP 66 HA ASP 66 -3.905 -18.056 -18.056 498 1HB ASP 66 HB2 ASP 66 -3.977 -18.074 -18.074 499 2HB ASP 66 HB1 ASP 66 -5.160 -16.795 -16.795 500 H GLY 67 H GLY 67 -3.636 -20.266 -20.266 501 1HA GLY 67 HA1 GLY 67 -5.542 -22.278 -22.278 502 2HA GLY 67 HA2 GLY 67 -4.972 -22.282 -22.282 503 HA PRO 68 HA PRO 68 -1.957 -24.679 -24.679 504 1HB PRO 68 HB2 PRO 68 -2.186 -27.047 -27.047 505 2HB PRO 68 HB1 PRO 68 -3.101 -26.726 -26.726 506 1HG PRO 68 HG2 PRO 68 -3.993 -26.717 -26.717 507 2HG PRO 68 HG1 PRO 68 -4.942 -26.817 -26.817 508 1HD PRO 68 HD2 PRO 68 -4.618 -24.540 -24.540 509 2HD PRO 68 HD1 PRO 68 -5.474 -24.628 -24.628 510 H ASN 69 H ASN 69 -1.116 -22.725 -22.725 511 HA ASN 69 HA ASN 69 0.505 -23.924 -23.924 512 1HB ASN 69 HB2 ASN 69 -0.707 -21.360 -21.360 513 2HB ASN 69 HB1 ASN 69 1.052 -21.127 -21.127 514 1HD2 ASN 69 HD2 ASN 69 1.337 -22.675 -22.675 515 2HD2 ASN 69 HD2 ASN 69 1.954 -22.961 -22.961 516 H GLY 70 H GLY 70 0.698 -22.651 -22.651 517 1HA GLY 70 HA1 GLY 70 2.599 -23.415 -23.415 518 2HA GLY 70 HA2 GLY 70 3.653 -23.156 -23.156 519 H PHE 71 H PHE 71 0.978 -21.073 -21.073 520 HA PHE 71 HA PHE 71 2.420 -18.615 -18.615 521 1HB PHE 71 HB2 PHE 71 -0.027 -19.497 -19.497 522 2HB PHE 71 HB1 PHE 71 0.613 -17.870 -17.870 523 HD1 PHE 71 HD1 PHE 71 0.272 -20.080 -20.080 524 HD2 PHE 71 HD2 PHE 71 -0.836 -16.395 -16.395 525 HE1 PHE 71 HE1 PHE 71 -0.949 -19.351 -19.351 526 HE2 PHE 71 HE2 PHE 71 -2.056 -15.674 -15.674 527 HZ PHE 71 HZ PHE 71 -2.115 -17.149 -17.149 Start of MODEL 3 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 3.081 0.470 0.470 3 1HB ASP 1 HB2 ASP 1 2.334 -2.083 -2.083 4 2HB ASP 1 HB1 ASP 1 1.426 -1.658 -1.658 5 H TYR 2 H TYR 2 0.496 2.001 2.001 6 HA TYR 2 HA TYR 2 -0.805 1.936 1.936 7 1HB TYR 2 HB1 TYR 2 -0.922 3.484 3.484 8 2HB TYR 2 HB2 TYR 2 -0.666 4.633 4.633 9 HD1 TYR 2 HD2 TYR 2 -2.161 2.936 2.936 10 HD2 TYR 2 HD1 TYR 2 -3.208 4.219 4.219 11 HE1 TYR 2 HE2 TYR 2 -4.566 2.858 2.858 12 HE2 TYR 2 HE1 TYR 2 -5.611 4.141 4.141 13 HH TYR 2 HH TYR 2 -6.774 2.825 2.825 14 H LYS 3 H LYS 3 0.445 1.865 1.865 15 HA LYS 3 HA LYS 3 2.684 3.742 3.742 16 1HB LYS 3 HB2 LYS 3 2.924 1.367 1.367 17 2HB LYS 3 HB1 LYS 3 1.754 1.649 1.649 18 1HG LYS 3 HG2 LYS 3 3.232 3.303 3.303 19 2HG LYS 3 HG1 LYS 3 4.348 3.210 3.210 20 1HD LYS 3 HD2 LYS 3 4.672 0.753 0.753 21 2HD LYS 3 HD1 LYS 3 3.721 1.032 1.032 22 1HE LYS 3 HE2 LYS 3 6.410 2.232 2.232 23 2HE LYS 3 HE1 LYS 3 6.032 1.219 1.219 24 1HZ LYS 3 HZ1 LYS 3 5.003 3.945 3.945 25 2HZ LYS 3 HZ3 LYS 3 6.214 3.530 3.530 26 3HZ LYS 3 HZ2 LYS 3 4.657 3.010 3.010 27 H ASP 4 H ASP 4 -0.640 3.309 3.309 28 HA ASP 4 HA ASP 4 -0.638 6.029 6.029 29 1HB ASP 4 HB2 ASP 4 0.027 4.964 4.964 30 2HB ASP 4 HB1 ASP 4 -1.017 3.562 3.562 31 H ASP 5 H ASP 5 -2.911 6.675 6.675 32 HA ASP 5 HA ASP 5 -4.770 5.602 5.602 33 1HB ASP 5 HB2 ASP 5 -5.102 7.632 7.632 34 2HB ASP 5 HB1 ASP 5 -6.329 7.260 7.260 35 H ASP 6 H ASP 6 -5.165 3.431 3.431 36 HA ASP 6 HA ASP 6 -6.694 3.184 3.184 37 1HB ASP 6 HB2 ASP 6 -5.038 1.123 1.123 38 2HB ASP 6 HB1 ASP 6 -6.028 0.796 0.796 39 H ASP 7 H ASP 7 -8.661 2.069 2.069 40 HA ASP 7 HA ASP 7 -10.212 2.195 2.195 41 1HB ASP 7 HB2 ASP 7 -10.907 1.688 1.688 42 2HB ASP 7 HB1 ASP 7 -10.445 0.007 0.007 43 H LYS 8 H LYS 8 -10.419 1.021 1.021 44 HA LYS 8 HA LYS 8 -8.476 -0.778 -0.778 45 1HB LYS 8 HB2 LYS 8 -9.995 -1.381 -1.381 46 2HB LYS 8 HB1 LYS 8 -9.936 0.370 0.370 47 1HG LYS 8 HG2 LYS 8 -12.038 -1.216 -1.216 48 2HG LYS 8 HG1 LYS 8 -12.251 -0.979 -0.979 49 1HD LYS 8 HD2 LYS 8 -11.493 1.548 1.548 50 2HD LYS 8 HD1 LYS 8 -12.589 0.913 0.913 51 1HE LYS 8 HE2 LYS 8 -14.408 1.073 1.073 52 2HE LYS 8 HE1 LYS 8 -13.513 0.467 0.467 53 1HZ LYS 8 HZ1 LYS 8 -13.356 3.204 3.204 54 2HZ LYS 8 HZ3 LYS 8 -14.184 2.744 2.744 55 3HZ LYS 8 HZ2 LYS 8 -12.527 2.650 2.650 56 H LEU 9 H LEU 9 -11.479 -1.351 -1.351 57 HA LEU 9 HA LEU 9 -10.486 -4.063 -4.063 58 1HB LEU 9 HB2 LEU 9 -13.268 -3.465 -3.465 59 2HB LEU 9 HB1 LEU 9 -12.729 -5.014 -5.014 60 HG LEU 9 HG LEU 9 -11.198 -3.907 -3.907 61 1HD1 LEU 9 HD1 LEU 9 -13.991 -5.054 -5.054 62 2HD1 LEU 9 HD1 LEU 9 -12.801 -4.775 -4.775 63 3HD1 LEU 9 HD1 LEU 9 -13.453 -3.406 -3.406 64 1HD2 LEU 9 HD2 LEU 9 -10.574 -6.068 -6.068 65 2HD2 LEU 9 HD2 LEU 9 -11.139 -6.303 -6.303 66 3HD2 LEU 9 HD2 LEU 9 -12.198 -6.712 -6.712 67 H LYS 10 H LYS 10 -13.714 -3.762 -3.762 68 HA LYS 10 HA LYS 10 -12.974 -2.379 -2.379 69 1HB LYS 10 HB2 LYS 10 -13.429 -5.204 -5.204 70 2HB LYS 10 HB1 LYS 10 -14.692 -4.495 -4.495 71 1HG LYS 10 HG2 LYS 10 -12.589 -3.233 -3.233 72 2HG LYS 10 HG1 LYS 10 -11.713 -4.626 -4.626 73 1HD LYS 10 HD2 LYS 10 -14.156 -5.476 -5.476 74 2HD LYS 10 HD1 LYS 10 -13.159 -4.488 -4.488 75 1HE LYS 10 HE2 LYS 10 -11.626 -6.474 -6.474 76 2HE LYS 10 HE1 LYS 10 -12.824 -7.201 -7.201 77 1HZ LYS 10 HZ1 LYS 10 -10.753 -5.236 -5.236 78 2HZ LYS 10 HZ3 LYS 10 -10.712 -6.879 -6.879 79 3HZ LYS 10 HZ2 LYS 10 -11.860 -5.924 -5.924 80 HA PRO 11 HA PRO 11 -16.873 -0.481 -0.481 81 1HB PRO 11 HB2 PRO 11 -17.533 0.061 0.061 82 2HB PRO 11 HB1 PRO 11 -16.403 1.032 1.032 83 1HG PRO 11 HG2 PRO 11 -15.870 -0.881 -0.881 84 2HG PRO 11 HG1 PRO 11 -14.832 0.388 0.388 85 1HD PRO 11 HD2 PRO 11 -14.652 -2.433 -2.433 86 2HD PRO 11 HD1 PRO 11 -13.692 -1.143 -1.143 87 H ASP 12 H ASP 12 -18.411 -1.760 -1.760 88 HA ASP 12 HA ASP 12 -19.425 -4.093 -4.093 89 1HB ASP 12 HB2 ASP 12 -21.066 -2.419 -2.419 90 2HB ASP 12 HB1 ASP 12 -20.989 -4.186 -4.186 91 H PHE 13 H PHE 13 -20.218 -0.647 -0.647 92 HA PHE 13 HA PHE 13 -22.860 -0.759 -0.759 93 1HB PHE 13 HB2 PHE 13 -22.480 1.436 1.436 94 2HB PHE 13 HB1 PHE 13 -21.514 1.257 1.257 95 HD1 PHE 13 HD1 PHE 13 -21.109 0.884 0.884 96 HD2 PHE 13 HD2 PHE 13 -19.310 2.015 2.015 97 HE1 PHE 13 HE1 PHE 13 -19.068 1.641 1.641 98 HE2 PHE 13 HE2 PHE 13 -17.272 2.771 2.771 99 HZ PHE 13 HZ PHE 13 -17.148 2.586 2.586 100 H CYS 14 H CYS 14 -19.701 -1.580 -1.580 101 HA CYS 14 HA CYS 14 -20.482 -1.395 -1.395 102 1HB CYS 14 HB2 CYS 14 -18.322 -2.835 -2.835 103 2HB CYS 14 HB1 CYS 14 -18.589 -3.177 -3.177 104 HG CYS 14 HG CYS 14 -17.635 -0.163 -0.163 105 H PHE 15 H PHE 15 -20.764 -3.963 -3.963 106 HA PHE 15 HA PHE 15 -21.914 -5.889 -5.889 107 1HB PHE 15 HB2 PHE 15 -21.833 -6.331 -6.331 108 2HB PHE 15 HB1 PHE 15 -21.636 -7.472 -7.472 109 HD1 PHE 15 HD1 PHE 15 -19.453 -6.899 -6.899 110 HD2 PHE 15 HD2 PHE 15 -19.905 -5.918 -5.918 111 HE1 PHE 15 HE1 PHE 15 -16.983 -6.812 -6.812 112 HE2 PHE 15 HE2 PHE 15 -17.433 -5.833 -5.833 113 HZ PHE 15 HZ PHE 15 -15.969 -6.278 -6.278 114 H LEU 16 H LEU 16 -23.107 -3.122 -3.122 115 HA LEU 16 HA LEU 16 -25.531 -4.128 -4.128 116 1HB LEU 16 HB2 LEU 16 -24.257 -1.991 -1.991 117 2HB LEU 16 HB1 LEU 16 -25.040 -1.318 -1.318 118 HG LEU 16 HG LEU 16 -26.007 -1.003 -1.003 119 1HD1 LEU 16 HD1 LEU 16 -27.739 -1.593 -1.593 120 2HD1 LEU 16 HD1 LEU 16 -28.285 -0.733 -0.733 121 3HD1 LEU 16 HD1 LEU 16 -27.016 -0.034 -0.034 122 1HD2 LEU 16 HD2 LEU 16 -26.183 -3.385 -3.385 123 2HD2 LEU 16 HD2 LEU 16 -27.810 -2.653 -2.653 124 3HD2 LEU 16 HD2 LEU 16 -27.243 -3.664 -3.664 125 H GLU 17 H GLU 17 -27.404 -4.647 -4.647 126 HA GLU 17 HA GLU 17 -27.607 -5.126 -5.126 127 1HB GLU 17 HB2 GLU 17 -29.963 -3.977 -3.977 128 2HB GLU 17 HB1 GLU 17 -29.982 -5.180 -5.180 129 1HG GLU 17 HG2 GLU 17 -28.469 -6.562 -6.562 130 2HG GLU 17 HG1 GLU 17 -29.192 -5.488 -5.488 131 H GLU 18 H GLU 18 -27.959 -4.032 -4.032 132 HA GLU 18 HA GLU 18 -27.296 -1.295 -1.295 133 1HB GLU 18 HB2 GLU 18 -27.540 -1.449 -1.449 134 2HB GLU 18 HB1 GLU 18 -27.286 -3.149 -3.149 135 1HG GLU 18 HG2 GLU 18 -29.912 -3.204 -3.204 136 2HG GLU 18 HG1 GLU 18 -29.838 -1.728 -1.728 137 H ASP 19 H ASP 19 -28.462 0.582 0.582 138 HA ASP 19 HA ASP 19 -31.437 0.319 0.319 139 1HB ASP 19 HB2 ASP 19 -30.092 0.693 0.693 140 2HB ASP 19 HB1 ASP 19 -29.937 2.350 2.350 141 HA PRO 20 HA PRO 20 -30.408 3.428 3.428 142 1HB PRO 20 HB2 PRO 20 -32.810 3.003 3.003 143 2HB PRO 20 HB1 PRO 20 -31.299 2.125 2.125 144 1HG PRO 20 HG2 PRO 20 -33.771 1.221 1.221 145 2HG PRO 20 HG1 PRO 20 -32.436 0.275 0.275 146 1HD PRO 20 HD2 PRO 20 -32.971 0.771 0.771 147 2HD PRO 20 HD1 PRO 20 -31.584 -0.082 -0.082 148 H GLY 21 H GLY 21 -33.251 2.999 2.999 149 1HA GLY 21 HA1 GLY 21 -34.174 4.756 4.756 150 2HA GLY 21 HA2 GLY 21 -33.468 5.952 5.952 151 H ILE 22 H ILE 22 -36.303 5.587 5.587 152 HA ILE 22 HA ILE 22 -38.129 4.474 4.474 153 HB ILE 22 HB ILE 22 -39.124 7.021 7.021 154 1HG1 ILE 22 HG1 ILE 22 -37.584 6.690 6.690 155 2HG1 ILE 22 HG1 ILE 22 -36.857 7.519 7.519 156 1HG2 ILE 22 HG2 ILE 22 -39.186 4.839 4.839 157 2HG2 ILE 22 HG2 ILE 22 -40.300 6.233 6.233 158 3HG2 ILE 22 HG2 ILE 22 -40.296 5.022 5.022 159 1HD1 ILE 22 HD1 ILE 22 -39.505 8.264 8.264 160 2HD1 ILE 22 HD1 ILE 22 -37.952 9.123 9.123 161 3HD1 ILE 22 HD1 ILE 22 -38.776 9.110 9.110 162 H CYS 23 H CYS 23 -37.292 7.877 7.877 163 HA CYS 23 HA CYS 23 -38.208 7.968 7.968 164 1HB CYS 23 HB2 CYS 23 -36.288 9.424 9.424 165 2HB CYS 23 HB1 CYS 23 -37.115 9.847 9.847 166 HG CYS 23 HG CYS 23 -33.887 8.996 8.996 167 H ARG 24 H ARG 24 -37.442 7.517 7.517 168 HA ARG 24 HA ARG 24 -35.685 5.116 5.116 169 1HB ARG 24 HB2 ARG 24 -38.230 5.467 5.467 170 2HB ARG 24 HB1 ARG 24 -37.176 5.768 5.768 171 1HG ARG 24 HG2 ARG 24 -36.399 3.593 3.593 172 2HG ARG 24 HG1 ARG 24 -36.519 3.406 3.406 173 1HD ARG 24 HD2 ARG 24 -38.401 2.193 2.193 174 2HD ARG 24 HD1 ARG 24 -39.179 3.730 3.730 175 HE ARG 24 HE ARG 24 -38.298 1.593 1.593 176 1HH1 ARG 24 HH1 ARG 24 -39.025 5.043 5.043 177 2HH1 ARG 24 HH1 ARG 24 -39.372 5.279 5.279 178 1HH2 ARG 24 HH2 ARG 24 -38.754 1.882 1.882 179 2HH2 ARG 24 HH2 ARG 24 -39.217 3.474 3.474 180 H GLY 25 H GLY 25 -34.543 7.731 7.731 181 1HA GLY 25 HA1 GLY 25 -33.784 8.719 8.719 182 2HA GLY 25 HA2 GLY 25 -33.095 9.196 9.196 183 H TYR 26 H TYR 26 -33.293 6.195 6.195 184 HA TYR 26 HA TYR 26 -30.991 4.975 4.975 185 1HB TYR 26 HB1 TYR 26 -32.003 5.021 5.021 186 2HB TYR 26 HB2 TYR 26 -30.820 3.884 3.884 187 HD1 TYR 26 HD2 TYR 26 -32.847 4.255 4.255 188 HD2 TYR 26 HD1 TYR 26 -33.004 2.593 2.593 189 HE1 TYR 26 HE2 TYR 26 -34.649 2.708 2.708 190 HE2 TYR 26 HE1 TYR 26 -34.806 1.047 1.047 191 HH TYR 26 HH TYR 26 -35.611 0.391 0.391 192 H ILE 27 H ILE 27 -28.755 4.885 4.885 193 HA ILE 27 HA ILE 27 -27.855 7.054 7.054 194 HB ILE 27 HB ILE 27 -26.626 6.996 6.996 195 1HG1 ILE 27 HG1 ILE 27 -29.110 8.619 8.619 196 2HG1 ILE 27 HG1 ILE 27 -29.073 7.196 7.196 197 1HG2 ILE 27 HG2 ILE 27 -27.004 9.176 9.176 198 2HG2 ILE 27 HG2 ILE 27 -26.184 9.391 9.391 199 3HG2 ILE 27 HG2 ILE 27 -25.510 8.287 8.287 200 1HD1 ILE 27 HD1 ILE 27 -27.540 9.807 9.807 201 2HD1 ILE 27 HD1 ILE 27 -29.022 9.299 9.299 202 3HD1 ILE 27 HD1 ILE 27 -27.510 8.396 8.396 203 H THR 28 H THR 28 -27.917 4.027 4.027 204 HA THR 28 HA THR 28 -26.471 2.227 2.227 205 HB THR 28 HB THR 28 -25.357 4.322 4.322 206 HG1 THR 28 HG1 THR 28 -26.761 1.854 1.854 207 1HG2 THR 28 HG2 THR 28 -24.399 1.527 1.527 208 2HG2 THR 28 HG2 THR 28 -24.577 1.935 1.935 209 3HG2 THR 28 HG2 THR 28 -23.466 2.876 2.876 210 H ARG 29 H ARG 29 -26.065 3.104 3.104 211 HA ARG 29 HA ARG 29 -23.250 3.884 3.884 212 1HB ARG 29 HB2 ARG 29 -25.502 3.364 3.364 213 2HB ARG 29 HB1 ARG 29 -23.851 3.812 3.812 214 1HG ARG 29 HG2 ARG 29 -25.730 5.451 5.451 215 2HG ARG 29 HG1 ARG 29 -25.355 5.783 5.783 216 1HD ARG 29 HD2 ARG 29 -22.942 6.065 6.065 217 2HD ARG 29 HD1 ARG 29 -23.384 5.804 5.804 218 HE ARG 29 HE ARG 29 -24.888 7.922 7.922 219 1HH1 ARG 29 HH1 ARG 29 -22.074 7.089 7.089 220 2HH1 ARG 29 HH1 ARG 29 -21.834 8.722 8.722 221 1HH2 ARG 29 HH2 ARG 29 -24.590 10.098 10.098 222 2HH2 ARG 29 HH2 ARG 29 -23.272 10.441 10.441 223 H TYR 30 H TYR 30 -22.305 2.575 2.575 224 HA TYR 30 HA TYR 30 -22.715 -0.306 -0.306 225 1HB TYR 30 HB1 TYR 30 -20.032 1.072 1.072 226 2HB TYR 30 HB2 TYR 30 -20.262 -0.651 -0.651 227 HD1 TYR 30 HD1 TYR 30 -21.067 2.590 2.590 228 HD2 TYR 30 HD2 TYR 30 -19.899 -1.561 -1.561 229 HE1 TYR 30 HE1 TYR 30 -20.817 2.845 2.845 230 HE2 TYR 30 HE2 TYR 30 -19.649 -1.304 -1.304 231 HH TYR 30 HH TYR 30 -19.274 0.525 0.525 232 H PHE 31 H PHE 31 -22.319 -1.803 -1.803 233 HA PHE 31 HA PHE 31 -21.898 -0.637 -0.637 234 1HB PHE 31 HB2 PHE 31 -23.963 -1.112 -1.112 235 2HB PHE 31 HB1 PHE 31 -24.400 -0.543 -0.543 236 HD1 PHE 31 HD2 PHE 31 -24.871 -2.254 -2.254 237 HD2 PHE 31 HD1 PHE 31 -24.599 -3.332 -3.332 238 HE1 PHE 31 HE2 PHE 31 -26.099 -4.365 -4.365 239 HE2 PHE 31 HE1 PHE 31 -25.827 -5.440 -5.440 240 HZ PHE 31 HZ PHE 31 -26.579 -5.960 -5.960 241 H TYR 32 H TYR 32 -21.040 -2.159 -2.159 242 HA TYR 32 HA TYR 32 -20.087 -4.595 -4.595 243 1HB TYR 32 HB1 TYR 32 -18.872 -3.089 -3.089 244 2HB TYR 32 HB2 TYR 32 -19.853 -3.937 -3.937 245 HD1 TYR 32 HD1 TYR 32 -17.100 -4.352 -4.352 246 HD2 TYR 32 HD2 TYR 32 -19.465 -6.262 -6.262 247 HE1 TYR 32 HE1 TYR 32 -15.476 -6.223 -6.223 248 HE2 TYR 32 HE2 TYR 32 -17.839 -8.134 -8.134 249 HH TYR 32 HH TYR 32 -14.750 -8.078 -8.078 250 H ASN 33 H ASN 33 -21.346 -6.352 -6.352 251 HA ASN 33 HA ASN 33 -23.506 -6.815 -6.815 252 1HB ASN 33 HB2 ASN 33 -23.987 -6.679 -6.679 253 2HB ASN 33 HB1 ASN 33 -23.113 -8.218 -8.218 254 1HD2 ASN 33 HD2 ASN 33 -26.749 -8.961 -8.961 255 2HD2 ASN 33 HD2 ASN 33 -25.663 -8.112 -8.112 256 H ASN 34 H ASN 34 -23.155 -8.335 -8.335 257 HA ASN 34 HA ASN 34 -20.826 -9.986 -9.986 258 1HB ASN 34 HB2 ASN 34 -22.199 -11.270 -11.270 259 2HB ASN 34 HB1 ASN 34 -21.823 -9.567 -9.567 260 1HD2 ASN 34 HD2 ASN 34 -25.302 -9.682 -9.682 261 2HD2 ASN 34 HD2 ASN 34 -23.666 -10.004 -10.004 262 H GLN 35 H GLN 35 -24.085 -10.366 -10.366 263 HA GLN 35 HA GLN 35 -24.310 -13.117 -13.117 264 1HB GLN 35 HB2 GLN 35 -25.759 -11.043 -11.043 265 2HB GLN 35 HB1 GLN 35 -25.034 -11.640 -11.640 266 1HG GLN 35 HG2 GLN 35 -26.772 -13.111 -13.111 267 2HG GLN 35 HG1 GLN 35 -25.827 -13.986 -13.986 268 1HE2 GLN 35 HE2 GLN 35 -27.757 -12.864 -12.864 269 2HE2 GLN 35 HE2 GLN 35 -26.130 -13.288 -13.288 270 H THR 36 H THR 36 -22.467 -10.896 -10.896 271 HA THR 36 HA THR 36 -21.176 -13.315 -13.315 272 HB THR 36 HB THR 36 -20.845 -11.904 -11.904 273 HG1 THR 36 HG1 THR 36 -22.271 -9.965 -9.965 274 1HG2 THR 36 HG2 THR 36 -23.589 -12.109 -12.109 275 2HG2 THR 36 HG2 THR 36 -23.413 -11.034 -11.034 276 3HG2 THR 36 HG2 THR 36 -23.047 -12.762 -12.762 277 H LYS 37 H LYS 37 -20.627 -11.683 -11.683 278 HA LYS 37 HA LYS 37 -18.903 -10.479 -10.479 279 1HB LYS 37 HB2 LYS 37 -17.614 -12.950 -12.950 280 2HB LYS 37 HB1 LYS 37 -16.804 -11.887 -11.887 281 1HG LYS 37 HG2 LYS 37 -17.827 -13.052 -13.052 282 2HG LYS 37 HG1 LYS 37 -19.368 -12.375 -12.375 283 1HD LYS 37 HD2 LYS 37 -19.646 -14.757 -14.757 284 2HD LYS 37 HD1 LYS 37 -19.441 -14.299 -14.299 285 1HE LYS 37 HE2 LYS 37 -17.047 -14.936 -14.936 286 2HE LYS 37 HE1 LYS 37 -17.243 -15.355 -15.355 287 1HZ LYS 37 HZ1 LYS 37 -18.655 -16.625 -16.625 288 2HZ LYS 37 HZ3 LYS 37 -17.371 -17.274 -17.274 289 3HZ LYS 37 HZ2 LYS 37 -18.832 -17.035 -17.035 290 H GLN 38 H GLN 38 -19.489 -8.999 -8.999 291 HA GLN 38 HA GLN 38 -16.980 -7.833 -7.833 292 1HB GLN 38 HB2 GLN 38 -17.999 -9.856 -9.856 293 2HB GLN 38 HB1 GLN 38 -17.889 -8.269 -8.269 294 1HG GLN 38 HG2 GLN 38 -15.700 -8.813 -8.813 295 2HG GLN 38 HG1 GLN 38 -15.513 -8.377 -8.377 296 1HE2 GLN 38 HE2 GLN 38 -15.993 -12.398 -12.398 297 2HE2 GLN 38 HE2 GLN 38 -16.861 -11.111 -11.111 298 H CYS 39 H CYS 39 -17.451 -6.091 -6.091 299 HA CYS 39 HA CYS 39 -19.763 -4.631 -4.631 300 1HB CYS 39 HB2 CYS 39 -17.540 -3.997 -3.997 301 2HB CYS 39 HB1 CYS 39 -18.935 -2.919 -2.919 302 HG CYS 39 HG CYS 39 -16.436 -3.645 -3.645 303 H GLU 40 H GLU 40 -21.726 -4.382 -4.382 304 HA GLU 40 HA GLU 40 -21.952 -5.587 -5.587 305 1HB GLU 40 HB2 GLU 40 -24.217 -5.427 -5.427 306 2HB GLU 40 HB1 GLU 40 -24.130 -6.394 -6.394 307 1HG GLU 40 HG2 GLU 40 -22.276 -6.766 -6.766 308 2HG GLU 40 HG1 GLU 40 -23.775 -7.687 -7.687 309 H ARG 41 H ARG 41 -22.919 -4.378 -4.378 310 HA ARG 41 HA ARG 41 -23.191 -1.557 -1.557 311 1HB ARG 41 HB2 ARG 41 -22.993 -3.275 -3.275 312 2HB ARG 41 HB1 ARG 41 -24.534 -2.409 -2.409 313 1HG ARG 41 HG2 ARG 41 -23.483 -0.310 -0.310 314 2HG ARG 41 HG1 ARG 41 -22.032 -0.897 -0.897 315 1HD ARG 41 HD2 ARG 41 -21.057 -1.591 -1.591 316 2HD ARG 41 HD1 ARG 41 -22.584 -2.223 -2.223 317 HE ARG 41 HE ARG 41 -22.476 0.699 0.699 318 1HH1 ARG 41 HH1 ARG 41 -21.666 -2.158 -2.158 319 2HH1 ARG 41 HH1 ARG 41 -21.633 -1.303 -1.303 320 1HH2 ARG 41 HH2 ARG 41 -22.439 1.855 1.855 321 2HH2 ARG 41 HH2 ARG 41 -22.075 0.989 0.989 322 H PHE 42 H PHE 42 -24.876 -0.569 -0.569 323 HA PHE 42 HA PHE 42 -27.647 -1.605 -1.605 324 1HB PHE 42 HB2 PHE 42 -28.166 -1.867 -1.867 325 2HB PHE 42 HB1 PHE 42 -26.470 -2.313 -2.313 326 HD1 PHE 42 HD2 PHE 42 -24.831 -0.082 -0.082 327 HD2 PHE 42 HD1 PHE 42 -28.894 -0.475 -0.475 328 HE1 PHE 42 HE2 PHE 42 -24.409 1.679 1.679 329 HE2 PHE 42 HE1 PHE 42 -28.463 1.286 1.286 330 HZ PHE 42 HZ PHE 42 -26.222 2.364 2.364 331 H LYS 43 H LYS 43 -29.252 0.016 0.016 332 HA LYS 43 HA LYS 43 -28.212 2.663 2.663 333 1HB LYS 43 HB2 LYS 43 -30.829 3.076 3.076 334 2HB LYS 43 HB1 LYS 43 -29.920 2.244 2.244 335 1HG LYS 43 HG2 LYS 43 -30.965 0.556 0.556 336 2HG LYS 43 HG1 LYS 43 -32.174 1.240 1.240 337 1HD LYS 43 HD2 LYS 43 -31.198 0.148 0.148 338 2HD LYS 43 HD1 LYS 43 -29.704 -0.216 -0.216 339 1HE LYS 43 HE2 LYS 43 -31.209 -1.639 -1.639 340 2HE LYS 43 HE1 LYS 43 -32.453 -1.479 -1.479 341 1HZ LYS 43 HZ1 LYS 43 -29.739 -2.586 -2.586 342 2HZ LYS 43 HZ3 LYS 43 -31.153 -3.467 -3.467 343 3HZ LYS 43 HZ2 LYS 43 -30.902 -2.455 -2.455 344 H TYR 44 H TYR 44 -28.371 4.530 4.530 345 HA TYR 44 HA TYR 44 -29.263 3.935 3.935 346 1HB TYR 44 HB1 TYR 44 -26.934 4.600 4.600 347 2HB TYR 44 HB2 TYR 44 -27.296 5.954 5.954 348 HD1 TYR 44 HD2 TYR 44 -29.699 5.471 5.471 349 HD2 TYR 44 HD1 TYR 44 -25.943 7.346 7.346 350 HE1 TYR 44 HE2 TYR 44 -29.916 6.985 6.985 351 HE2 TYR 44 HE1 TYR 44 -26.162 8.859 8.859 352 HH TYR 44 HH TYR 44 -28.325 8.396 8.396 353 H GLY 45 H GLY 45 -31.392 4.447 4.447 354 1HA GLY 45 HA1 GLY 45 -32.958 6.132 6.132 355 2HA GLY 45 HA2 GLY 45 -33.188 5.901 5.901 356 H GLY 46 H GLY 46 -31.103 7.132 7.132 357 1HA GLY 46 HA1 GLY 46 -29.767 9.252 9.252 358 2HA GLY 46 HA2 GLY 46 -31.248 9.950 9.950 359 H CYS 47 H CYS 47 -33.124 8.648 8.648 360 HA CYS 47 HA CYS 47 -33.250 10.528 10.528 361 1HB CYS 47 HB2 CYS 47 -34.364 7.740 7.740 362 2HB CYS 47 HB1 CYS 47 -34.709 8.794 8.794 363 HG CYS 47 HG CYS 47 -35.391 10.691 10.691 364 H LEU 48 H LEU 48 -33.449 9.502 9.502 365 HA LEU 48 HA LEU 48 -30.872 9.482 9.482 366 1HB LEU 48 HB2 LEU 48 -31.718 8.695 8.695 367 2HB LEU 48 HB1 LEU 48 -32.856 9.837 9.837 368 HG LEU 48 HG LEU 48 -34.128 8.142 8.142 369 1HD1 LEU 48 HD1 LEU 48 -33.964 7.568 7.568 370 2HD1 LEU 48 HD1 LEU 48 -35.303 7.069 7.069 371 3HD1 LEU 48 HD1 LEU 48 -34.973 8.792 8.792 372 1HD2 LEU 48 HD2 LEU 48 -32.397 6.430 6.430 373 2HD2 LEU 48 HD2 LEU 48 -33.831 5.709 5.709 374 3HD2 LEU 48 HD2 LEU 48 -32.387 6.087 6.087 375 H GLY 49 H GLY 49 -32.562 6.939 6.939 376 1HA GLY 49 HA1 GLY 49 -32.091 4.638 4.638 377 2HA GLY 49 HA2 GLY 49 -30.551 5.327 5.327 378 H ASN 50 H ASN 50 -28.702 5.035 5.035 379 HA ASN 50 HA ASN 50 -28.750 4.522 4.522 380 1HB ASN 50 HB2 ASN 50 -28.198 2.194 2.194 381 2HB ASN 50 HB1 ASN 50 -29.632 2.297 2.297 382 1HD2 ASN 50 HD2 ASN 50 -27.246 0.014 0.014 383 2HD2 ASN 50 HD2 ASN 50 -28.219 0.076 0.076 384 H MET 51 H MET 51 -26.384 2.816 2.816 385 HA MET 51 HA MET 51 -24.412 4.859 4.859 386 1HB MET 51 HB2 MET 51 -24.324 2.133 2.133 387 2HB MET 51 HB1 MET 51 -22.838 2.997 2.997 388 1HG MET 51 HG2 MET 51 -23.361 3.523 3.523 389 2HG MET 51 HG1 MET 51 -23.698 4.971 4.971 390 1HE MET 51 HE1 MET 51 -25.126 1.943 1.943 391 2HE MET 51 HE3 MET 51 -26.871 2.000 2.000 392 3HE MET 51 HE2 MET 51 -25.705 1.538 1.538 393 H ASN 52 H ASN 52 -23.978 1.330 1.330 394 HA ASN 52 HA ASN 52 -22.318 1.246 1.246 395 1HB ASN 52 HB2 ASN 52 -23.789 -0.669 -0.669 396 2HB ASN 52 HB1 ASN 52 -24.894 -0.328 -0.328 397 1HD2 ASN 52 HD2 ASN 52 -22.630 -3.085 -3.085 398 2HD2 ASN 52 HD2 ASN 52 -23.861 -2.790 -2.790 399 H ASN 53 H ASN 53 -22.258 2.914 2.914 400 HA ASN 53 HA ASN 53 -24.020 2.721 2.721 401 1HB ASN 53 HB2 ASN 53 -25.699 3.978 3.978 402 2HB ASN 53 HB1 ASN 53 -24.545 4.853 4.853 403 1HD2 ASN 53 HD2 ASN 53 -24.526 5.932 5.932 404 2HD2 ASN 53 HD2 ASN 53 -24.416 4.250 4.250 405 H PHE 54 H PHE 54 -21.987 2.573 2.573 406 HA PHE 54 HA PHE 54 -20.215 4.994 4.994 407 1HB PHE 54 HB2 PHE 54 -19.713 2.277 2.277 408 2HB PHE 54 HB1 PHE 54 -18.555 3.577 3.577 409 HD1 PHE 54 HD1 PHE 54 -20.434 0.895 0.895 410 HD2 PHE 54 HD2 PHE 54 -17.533 4.074 4.074 411 HE1 PHE 54 HE1 PHE 54 -19.770 0.001 0.001 412 HE2 PHE 54 HE2 PHE 54 -16.875 3.173 3.173 413 HZ PHE 54 HZ PHE 54 -17.990 1.137 1.137 414 H GLU 55 H GLU 55 -19.052 5.158 5.158 415 HA GLU 55 HA GLU 55 -21.308 5.403 5.403 416 1HB GLU 55 HB2 GLU 55 -18.785 7.098 7.098 417 2HB GLU 55 HB1 GLU 55 -20.158 7.312 7.312 418 1HG GLU 55 HG2 GLU 55 -21.569 7.505 7.505 419 2HG GLU 55 HG1 GLU 55 -20.003 7.794 7.794 420 H THR 56 H THR 56 -17.899 4.482 4.482 421 HA THR 56 HA THR 56 -17.924 3.182 3.182 422 HB THR 56 HB THR 56 -15.218 3.490 3.490 423 HG1 THR 56 HG1 THR 56 -16.697 5.823 5.823 424 1HG2 THR 56 HG2 THR 56 -17.208 5.035 5.035 425 2HG2 THR 56 HG2 THR 56 -15.656 5.816 5.816 426 3HG2 THR 56 HG2 THR 56 -15.679 4.271 4.271 427 H LEU 57 H LEU 57 -17.117 1.036 1.036 428 HA LEU 57 HA LEU 57 -17.683 -0.580 -0.580 429 1HB LEU 57 HB2 LEU 57 -17.840 -1.246 -1.246 430 2HB LEU 57 HB1 LEU 57 -16.067 -1.260 -1.260 431 HG LEU 57 HG LEU 57 -16.317 -2.917 -2.917 432 1HD1 LEU 57 HD1 LEU 57 -18.993 -3.266 -3.266 433 2HD1 LEU 57 HD1 LEU 57 -18.302 -4.405 -4.405 434 3HD1 LEU 57 HD1 LEU 57 -18.732 -2.755 -2.755 435 1HD2 LEU 57 HD2 LEU 57 -15.247 -3.495 -3.495 436 2HD2 LEU 57 HD2 LEU 57 -16.294 -4.838 -4.838 437 3HD2 LEU 57 HD2 LEU 57 -16.831 -3.750 -3.750 438 H GLU 58 H GLU 58 -14.530 0.407 0.407 439 HA GLU 58 HA GLU 58 -12.887 -0.934 -0.934 440 1HB GLU 58 HB2 GLU 58 -12.452 0.632 0.632 441 2HB GLU 58 HB1 GLU 58 -11.900 1.711 1.711 442 1HG GLU 58 HG2 GLU 58 -10.361 -0.006 -0.006 443 2HG GLU 58 HG1 GLU 58 -11.003 -1.183 -1.183 444 H GLU 59 H GLU 59 -14.590 2.198 2.198 445 HA GLU 59 HA GLU 59 -13.245 3.111 3.111 446 1HB GLU 59 HB2 GLU 59 -14.882 4.325 4.325 447 2HB GLU 59 HB1 GLU 59 -16.098 3.882 3.882 448 1HG GLU 59 HG2 GLU 59 -15.051 5.179 5.179 449 2HG GLU 59 HG1 GLU 59 -13.506 5.227 5.227 450 H CYS 60 H CYS 60 -16.348 1.334 1.334 451 HA CYS 60 HA CYS 60 -17.063 1.190 1.190 452 1HB CYS 60 HB2 CYS 60 -18.742 0.716 0.716 453 2HB CYS 60 HB1 CYS 60 -17.732 -0.423 -0.423 454 HG CYS 60 HG CYS 60 -19.722 -0.976 -0.976 455 H LYS 61 H LYS 61 -14.803 -0.686 -0.686 456 HA LYS 61 HA LYS 61 -14.509 -2.762 -2.762 457 1HB LYS 61 HB2 LYS 61 -13.236 -2.144 -2.144 458 2HB LYS 61 HB1 LYS 61 -12.470 -3.315 -3.315 459 1HG LYS 61 HG2 LYS 61 -14.719 -4.496 -4.496 460 2HG LYS 61 HG1 LYS 61 -15.295 -3.402 -3.402 461 1HD LYS 61 HD2 LYS 61 -13.297 -4.217 -4.217 462 2HD LYS 61 HD1 LYS 61 -13.068 -5.471 -5.471 463 1HE LYS 61 HE2 LYS 61 -14.782 -6.706 -6.706 464 2HE LYS 61 HE1 LYS 61 -15.860 -5.297 -5.297 465 1HZ LYS 61 HZ1 LYS 61 -13.798 -5.976 -5.976 466 2HZ LYS 61 HZ3 LYS 61 -15.445 -6.196 -6.196 467 3HZ LYS 61 HZ2 LYS 61 -14.814 -4.664 -4.664 468 H ASN 62 H ASN 62 -12.742 0.185 0.185 469 HA ASN 62 HA ASN 62 -10.408 -0.108 -0.108 470 1HB ASN 62 HB2 ASN 62 -11.728 1.978 1.978 471 2HB ASN 62 HB1 ASN 62 -11.381 2.619 2.619 472 1HD2 ASN 62 HD2 ASN 62 -8.025 3.212 3.212 473 2HD2 ASN 62 HD2 ASN 62 -9.502 3.538 3.538 474 H ILE 63 H ILE 63 -13.562 1.430 1.430 475 HA ILE 63 HA ILE 63 -12.673 1.834 1.834 476 HB ILE 63 HB ILE 63 -15.068 2.320 2.320 477 1HG1 ILE 63 HG1 ILE 63 -14.087 4.074 4.074 478 2HG1 ILE 63 HG1 ILE 63 -13.089 3.892 3.892 479 1HG2 ILE 63 HG2 ILE 63 -15.266 2.047 2.047 480 2HG2 ILE 63 HG2 ILE 63 -16.500 2.801 2.801 481 3HG2 ILE 63 HG2 ILE 63 -16.119 1.076 1.076 482 1HD1 ILE 63 HD1 ILE 63 -16.013 4.794 4.794 483 2HD1 ILE 63 HD1 ILE 63 -14.594 5.850 5.850 484 3HD1 ILE 63 HD1 ILE 63 -15.017 4.632 4.632 485 H CYS 64 H CYS 64 -14.781 -0.539 -0.539 486 HA CYS 64 HA CYS 64 -15.201 -2.006 -2.006 487 1HB CYS 64 HB2 CYS 64 -15.970 -2.729 -2.729 488 2HB CYS 64 HB1 CYS 64 -16.526 -3.528 -3.528 489 HG CYS 64 HG CYS 64 -18.091 -1.210 -1.210 490 H GLU 65 H GLU 65 -14.484 -3.614 -3.614 491 HA GLU 65 HA GLU 65 -13.070 -5.704 -5.704 492 1HB GLU 65 HB2 GLU 65 -12.991 -4.082 -4.082 493 2HB GLU 65 HB1 GLU 65 -11.438 -4.882 -4.882 494 1HG GLU 65 HG2 GLU 65 -13.582 -6.742 -6.742 495 2HG GLU 65 HG1 GLU 65 -13.847 -6.010 -6.010 496 H ASP 66 H ASP 66 -11.842 -2.349 -2.349 497 HA ASP 66 HA ASP 66 -10.236 -1.520 -1.520 498 1HB ASP 66 HB2 ASP 66 -8.973 -2.849 -2.849 499 2HB ASP 66 HB1 ASP 66 -10.336 -3.940 -3.940 500 H GLY 67 H GLY 67 -7.840 -1.078 -1.078 501 1HA GLY 67 HA1 GLY 67 -6.483 -2.152 -2.152 502 2HA GLY 67 HA2 GLY 67 -7.058 -0.486 -0.486 503 HA PRO 68 HA PRO 68 -3.020 -0.476 -0.476 504 1HB PRO 68 HB2 PRO 68 -1.556 0.882 0.882 505 2HB PRO 68 HB1 PRO 68 -1.571 -0.881 -0.881 506 1HG PRO 68 HG2 PRO 68 -2.867 0.798 0.798 507 2HG PRO 68 HG1 PRO 68 -2.518 -0.942 -0.942 508 1HD PRO 68 HD2 PRO 68 -5.050 0.319 0.319 509 2HD PRO 68 HD1 PRO 68 -4.662 -1.410 -1.410 510 H ASN 69 H ASN 69 -4.572 2.034 2.034 511 HA ASN 69 HA ASN 69 -3.465 4.317 4.317 512 1HB ASN 69 HB2 ASN 69 -5.642 3.715 3.715 513 2HB ASN 69 HB1 ASN 69 -6.338 4.627 4.627 514 1HD2 ASN 69 HD2 ASN 69 -3.818 6.334 6.334 515 2HD2 ASN 69 HD2 ASN 69 -4.146 4.600 4.600 516 H GLY 70 H GLY 70 -6.506 2.559 2.559 517 1HA GLY 70 HA1 GLY 70 -6.620 4.063 4.063 518 2HA GLY 70 HA2 GLY 70 -7.801 2.884 2.884 519 H PHE 71 H PHE 71 -5.953 0.743 0.743 520 HA PHE 71 HA PHE 71 -4.890 0.036 0.036 521 1HB PHE 71 HB2 PHE 71 -6.144 -1.932 -1.932 522 2HB PHE 71 HB1 PHE 71 -5.761 -2.133 -2.133 523 HD1 PHE 71 HD2 PHE 71 -7.883 0.190 0.190 524 HD2 PHE 71 HD1 PHE 71 -7.543 -2.163 -2.163 525 HE1 PHE 71 HE2 PHE 71 -10.203 0.817 0.817 526 HE2 PHE 71 HE1 PHE 71 -9.863 -1.532 -1.532 527 HZ PHE 71 HZ PHE 71 -11.196 -0.041 -0.041 Start of MODEL 4 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.519 -0.999 -0.999 3 1HB ASP 1 HB2 ASP 1 1.936 0.743 0.743 4 2HB ASP 1 HB1 ASP 1 0.709 -0.454 -0.454 5 H TYR 2 H TYR 2 4.285 0.103 0.103 6 HA TYR 2 HA TYR 2 5.063 2.731 2.731 7 1HB TYR 2 HB1 TYR 2 6.620 0.179 0.179 8 2HB TYR 2 HB2 TYR 2 7.383 1.760 1.760 9 HD1 TYR 2 HD1 TYR 2 4.588 -0.185 -0.185 10 HD2 TYR 2 HD2 TYR 2 7.303 3.167 3.167 11 HE1 TYR 2 HE1 TYR 2 3.885 0.184 0.184 12 HE2 TYR 2 HE2 TYR 2 6.600 3.535 3.535 13 HH TYR 2 HH TYR 2 5.540 2.305 2.305 14 H LYS 3 H LYS 3 6.850 -0.027 -0.027 15 HA LYS 3 HA LYS 3 7.828 -0.192 -0.192 16 1HB LYS 3 HB2 LYS 3 5.833 1.958 1.958 17 2HB LYS 3 HB1 LYS 3 6.961 1.268 1.268 18 1HG LYS 3 HG2 LYS 3 5.239 -0.528 -0.528 19 2HG LYS 3 HG1 LYS 3 4.560 0.230 0.230 20 1HD LYS 3 HD2 LYS 3 5.361 -1.689 -1.689 21 2HD LYS 3 HD1 LYS 3 6.861 -0.742 -0.742 22 1HE LYS 3 HE2 LYS 3 7.893 -2.155 -2.155 23 2HE LYS 3 HE1 LYS 3 6.530 -2.090 -2.090 24 1HZ LYS 3 HZ1 LYS 3 6.681 -3.764 -3.764 25 2HZ LYS 3 HZ3 LYS 3 6.884 -4.291 -4.291 26 3HZ LYS 3 HZ2 LYS 3 5.408 -3.723 -3.723 27 H ASP 4 H ASP 4 7.443 3.237 3.237 28 HA ASP 4 HA ASP 4 9.988 3.984 3.984 29 1HB ASP 4 HB2 ASP 4 10.154 2.898 2.898 30 2HB ASP 4 HB1 ASP 4 9.831 4.597 4.597 31 H ASP 5 H ASP 5 7.112 4.721 4.721 32 HA ASP 5 HA ASP 5 6.128 6.782 6.782 33 1HB ASP 5 HB2 ASP 5 7.319 8.682 8.682 34 2HB ASP 5 HB1 ASP 5 8.685 7.617 7.617 35 H ASP 6 H ASP 6 6.147 4.893 4.893 36 HA ASP 6 HA ASP 6 5.140 6.628 6.628 37 1HB ASP 6 HB2 ASP 6 4.467 3.728 3.728 38 2HB ASP 6 HB1 ASP 6 5.013 4.726 4.726 39 H ASP 7 H ASP 7 2.930 4.949 4.949 40 HA ASP 7 HA ASP 7 0.763 6.254 6.254 41 1HB ASP 7 HB2 ASP 7 0.518 3.406 3.406 42 2HB ASP 7 HB1 ASP 7 -0.618 4.754 4.754 43 H LYS 8 H LYS 8 -0.554 5.909 5.909 44 HA LYS 8 HA LYS 8 -0.752 3.457 3.457 45 1HB LYS 8 HB2 LYS 8 0.524 3.901 3.901 46 2HB LYS 8 HB1 LYS 8 1.572 3.795 3.795 47 1HG LYS 8 HG2 LYS 8 1.636 6.272 6.272 48 2HG LYS 8 HG1 LYS 8 0.570 6.370 6.370 49 1HD LYS 8 HD2 LYS 8 2.917 4.666 4.666 50 2HD LYS 8 HD1 LYS 8 3.373 6.318 6.318 51 1HE LYS 8 HE2 LYS 8 3.160 6.242 6.242 52 2HE LYS 8 HE1 LYS 8 1.779 7.158 7.158 53 1HZ LYS 8 HZ1 LYS 8 1.762 4.301 4.301 54 2HZ LYS 8 HZ3 LYS 8 1.120 5.559 5.559 55 3HZ LYS 8 HZ2 LYS 8 0.459 5.154 5.154 56 H LEU 9 H LEU 9 -0.626 7.042 7.042 57 HA LEU 9 HA LEU 9 -2.751 7.050 7.050 58 1HB LEU 9 HB2 LEU 9 -2.633 9.358 9.358 59 2HB LEU 9 HB1 LEU 9 -0.979 8.758 8.758 60 HG LEU 9 HG LEU 9 -1.152 10.554 10.554 61 1HD1 LEU 9 HD1 LEU 9 -1.805 8.094 8.094 62 2HD1 LEU 9 HD1 LEU 9 -1.122 9.616 9.616 63 3HD1 LEU 9 HD1 LEU 9 -0.196 8.634 8.634 64 1HD2 LEU 9 HD2 LEU 9 -3.568 10.955 10.955 65 2HD2 LEU 9 HD2 LEU 9 -3.055 10.960 10.960 66 3HD2 LEU 9 HD2 LEU 9 -3.893 9.549 9.549 67 H LYS 10 H LYS 10 -2.696 6.355 6.355 68 HA LYS 10 HA LYS 10 -4.833 7.643 7.643 69 1HB LYS 10 HB2 LYS 10 -3.323 5.293 5.293 70 2HB LYS 10 HB1 LYS 10 -5.036 4.883 4.883 71 1HG LYS 10 HG2 LYS 10 -4.861 7.360 7.360 72 2HG LYS 10 HG1 LYS 10 -3.271 6.661 6.661 73 1HD LYS 10 HD2 LYS 10 -5.379 4.685 4.685 74 2HD LYS 10 HD1 LYS 10 -5.735 6.150 6.150 75 1HE LYS 10 HE2 LYS 10 -4.412 4.914 4.914 76 2HE LYS 10 HE1 LYS 10 -3.206 5.962 5.962 77 1HZ LYS 10 HZ1 LYS 10 -3.838 3.182 3.182 78 2HZ LYS 10 HZ3 LYS 10 -2.498 3.681 3.681 79 3HZ LYS 10 HZ2 LYS 10 -2.695 4.150 4.150 80 HA PRO 11 HA PRO 11 -8.367 6.598 6.598 81 1HB PRO 11 HB2 PRO 11 -10.316 6.859 6.859 82 2HB PRO 11 HB1 PRO 11 -9.619 8.224 8.224 83 1HG PRO 11 HG2 PRO 11 -9.145 7.340 7.340 84 2HG PRO 11 HG1 PRO 11 -8.801 8.901 8.901 85 1HD PRO 11 HD2 PRO 11 -6.931 6.833 6.833 86 2HD PRO 11 HD1 PRO 11 -6.622 8.352 8.352 87 H ASP 12 H ASP 12 -8.368 4.547 4.547 88 HA ASP 12 HA ASP 12 -8.385 2.259 2.259 89 1HB ASP 12 HB2 ASP 12 -8.952 2.843 2.843 90 2HB ASP 12 HB1 ASP 12 -9.527 1.297 1.297 91 H PHE 13 H PHE 13 -10.950 4.358 4.358 92 HA PHE 13 HA PHE 13 -13.226 2.682 2.682 93 1HB PHE 13 HB2 PHE 13 -14.476 4.661 4.661 94 2HB PHE 13 HB1 PHE 13 -13.055 5.006 5.006 95 HD1 PHE 13 HD1 PHE 13 -14.171 5.336 5.336 96 HD2 PHE 13 HD2 PHE 13 -11.926 7.018 7.018 97 HE1 PHE 13 HE1 PHE 13 -13.659 7.345 7.345 98 HE2 PHE 13 HE2 PHE 13 -11.420 9.024 9.024 99 HZ PHE 13 HZ PHE 13 -12.285 9.191 9.191 100 H CYS 14 H CYS 14 -11.157 4.281 4.281 101 HA CYS 14 HA CYS 14 -12.997 4.162 4.162 102 1HB CYS 14 HB2 CYS 14 -10.018 4.350 4.350 103 2HB CYS 14 HB1 CYS 14 -10.772 4.090 4.090 104 HG CYS 14 HG CYS 14 -11.101 6.842 6.842 105 H PHE 15 H PHE 15 -10.631 1.826 1.826 106 HA PHE 15 HA PHE 15 -11.080 -0.169 -0.169 107 1HB PHE 15 HB2 PHE 15 -9.856 -0.675 -0.675 108 2HB PHE 15 HB1 PHE 15 -9.535 -1.469 -1.469 109 HD1 PHE 15 HD1 PHE 15 -8.849 0.512 0.512 110 HD2 PHE 15 HD2 PHE 15 -7.980 0.511 0.511 111 HE1 PHE 15 HE1 PHE 15 -6.893 1.991 1.991 112 HE2 PHE 15 HE2 PHE 15 -6.025 1.991 1.991 113 HZ PHE 15 HZ PHE 15 -5.479 2.734 2.734 114 H LEU 16 H LEU 16 -12.993 1.037 1.037 115 HA LEU 16 HA LEU 16 -13.965 -1.471 -1.471 116 1HB LEU 16 HB2 LEU 16 -14.017 1.085 1.085 117 2HB LEU 16 HB1 LEU 16 -15.667 0.912 0.912 118 HG LEU 16 HG LEU 16 -15.790 -1.189 -1.189 119 1HD1 LEU 16 HD1 LEU 16 -13.370 0.099 0.099 120 2HD1 LEU 16 HD1 LEU 16 -14.331 -1.237 -1.237 121 3HD1 LEU 16 HD1 LEU 16 -13.425 -1.475 -1.475 122 1HD2 LEU 16 HD2 LEU 16 -17.039 0.847 0.847 123 2HD2 LEU 16 HD2 LEU 16 -16.414 0.088 0.088 124 3HD2 LEU 16 HD2 LEU 16 -15.618 1.526 1.526 125 H GLU 17 H GLU 17 -15.450 -2.833 -2.833 126 HA GLU 17 HA GLU 17 -16.318 -2.657 -2.657 127 1HB GLU 17 HB2 GLU 17 -18.345 -4.105 -4.105 128 2HB GLU 17 HB1 GLU 17 -16.692 -4.749 -4.749 129 1HG GLU 17 HG2 GLU 17 -16.422 -4.515 -4.515 130 2HG GLU 17 HG1 GLU 17 -17.641 -3.229 -3.229 131 H GLU 18 H GLU 18 -18.254 -1.995 -1.995 132 HA GLU 18 HA GLU 18 -19.298 0.471 0.471 133 1HB GLU 18 HB2 GLU 18 -20.415 0.626 0.626 134 2HB GLU 18 HB1 GLU 18 -19.131 -0.522 -0.522 135 1HG GLU 18 HG2 GLU 18 -21.051 -2.232 -2.232 136 2HG GLU 18 HG1 GLU 18 -22.072 -0.933 -0.933 137 H ASP 19 H ASP 19 -21.425 1.014 1.014 138 HA ASP 19 HA ASP 19 -23.202 -1.227 -1.227 139 1HB ASP 19 HB2 ASP 19 -21.449 -0.565 -0.565 140 2HB ASP 19 HB1 ASP 19 -22.517 0.838 0.838 141 HA PRO 20 HA PRO 20 -25.668 2.285 2.285 142 1HB PRO 20 HB2 PRO 20 -27.794 0.671 0.671 143 2HB PRO 20 HB1 PRO 20 -26.403 1.153 1.153 144 1HG PRO 20 HG2 PRO 20 -27.048 -1.451 -1.451 145 2HG PRO 20 HG1 PRO 20 -25.920 -1.051 -1.051 146 1HD PRO 20 HD2 PRO 20 -25.274 -1.684 -1.684 147 2HD PRO 20 HD1 PRO 20 -24.171 -1.180 -1.180 148 H GLY 21 H GLY 21 -26.520 -0.417 -0.417 149 1HA GLY 21 HA1 GLY 21 -27.541 -0.171 -0.171 150 2HA GLY 21 HA2 GLY 21 -28.091 1.457 1.457 151 H ILE 22 H ILE 22 -30.304 1.277 1.277 152 HA ILE 22 HA ILE 22 -31.666 -0.938 -0.938 153 HB ILE 22 HB ILE 22 -33.516 0.187 0.187 154 1HG1 ILE 22 HG1 ILE 22 -30.881 -0.013 -0.013 155 2HG1 ILE 22 HG1 ILE 22 -31.725 1.495 1.495 156 1HG2 ILE 22 HG2 ILE 22 -31.729 -2.237 -2.237 157 2HG2 ILE 22 HG2 ILE 22 -33.253 -1.907 -1.907 158 3HG2 ILE 22 HG2 ILE 22 -33.268 -2.198 -2.198 159 1HD1 ILE 22 HD1 ILE 22 -32.833 -0.763 -0.763 160 2HD1 ILE 22 HD1 ILE 22 -32.191 0.796 0.796 161 3HD1 ILE 22 HD1 ILE 22 -33.677 0.750 0.750 162 H CYS 23 H CYS 23 -32.941 2.214 2.214 163 HA CYS 23 HA CYS 23 -34.735 2.872 2.872 164 1HB CYS 23 HB2 CYS 23 -34.266 5.161 5.161 165 2HB CYS 23 HB1 CYS 23 -33.760 4.372 4.372 166 HG CYS 23 HG CYS 23 -31.996 6.354 6.354 167 H ARG 24 H ARG 24 -35.002 2.645 2.645 168 HA ARG 24 HA ARG 24 -33.134 1.873 1.873 169 1HB ARG 24 HB2 ARG 24 -34.583 3.414 3.414 170 2HB ARG 24 HB1 ARG 24 -35.231 1.915 1.915 171 1HG ARG 24 HG2 ARG 24 -35.594 4.210 4.210 172 2HG ARG 24 HG1 ARG 24 -36.338 4.491 4.491 173 1HD ARG 24 HD2 ARG 24 -36.802 1.796 1.796 174 2HD ARG 24 HD1 ARG 24 -37.566 3.157 3.157 175 HE ARG 24 HE ARG 24 -38.233 2.062 2.062 176 1HH1 ARG 24 HH1 ARG 24 -38.349 4.918 4.918 177 2HH1 ARG 24 HH1 ARG 24 -39.723 5.660 5.660 178 1HH2 ARG 24 HH2 ARG 24 -40.059 3.027 3.027 179 2HH2 ARG 24 HH2 ARG 24 -40.700 4.580 4.580 180 H GLY 25 H GLY 25 -34.217 5.337 5.337 181 1HA GLY 25 HA1 GLY 25 -33.042 7.149 7.149 182 2HA GLY 25 HA2 GLY 25 -32.064 6.808 6.808 183 H TYR 26 H TYR 26 -32.517 5.267 5.267 184 HA TYR 26 HA TYR 26 -29.706 4.563 4.563 185 1HB TYR 26 HB1 TYR 26 -31.902 4.540 4.540 186 2HB TYR 26 HB2 TYR 26 -30.267 3.983 3.983 187 HD1 TYR 26 HD2 TYR 26 -30.335 2.974 2.974 188 HD2 TYR 26 HD1 TYR 26 -32.482 2.122 2.122 189 HE1 TYR 26 HE2 TYR 26 -30.896 0.714 0.714 190 HE2 TYR 26 HE1 TYR 26 -33.042 -0.137 -0.137 191 HH TYR 26 HH TYR 26 -32.842 -1.635 -1.635 192 H ILE 27 H ILE 27 -27.970 5.652 5.652 193 HA ILE 27 HA ILE 27 -28.472 7.942 7.942 194 HB ILE 27 HB ILE 27 -26.701 8.581 8.581 195 1HG1 ILE 27 HG1 ILE 27 -29.718 8.586 8.586 196 2HG1 ILE 27 HG1 ILE 27 -28.597 7.426 7.426 197 1HG2 ILE 27 HG2 ILE 27 -28.855 10.126 10.126 198 2HG2 ILE 27 HG2 ILE 27 -27.784 10.810 10.810 199 3HG2 ILE 27 HG2 ILE 27 -27.103 10.206 10.206 200 1HD1 ILE 27 HD1 ILE 27 -28.557 10.460 10.460 201 2HD1 ILE 27 HD1 ILE 27 -29.169 9.253 9.253 202 3HD1 ILE 27 HD1 ILE 27 -27.442 9.305 9.305 203 H THR 28 H THR 28 -26.846 8.186 8.186 204 HA THR 28 HA THR 28 -24.921 6.139 6.139 205 HB THR 28 HB THR 28 -24.751 8.929 8.929 206 HG1 THR 28 HG1 THR 28 -26.409 6.684 6.684 207 1HG2 THR 28 HG2 THR 28 -23.910 6.085 6.085 208 2HG2 THR 28 HG2 THR 28 -24.515 7.081 7.081 209 3HG2 THR 28 HG2 THR 28 -23.083 7.607 7.607 210 H ARG 29 H ARG 29 -23.985 5.988 5.988 211 HA ARG 29 HA ARG 29 -22.079 8.186 8.186 212 1HB ARG 29 HB2 ARG 29 -23.024 5.847 5.847 213 2HB ARG 29 HB1 ARG 29 -21.871 7.094 7.094 214 1HG ARG 29 HG2 ARG 29 -24.808 7.446 7.446 215 2HG ARG 29 HG1 ARG 29 -24.057 7.688 7.688 216 1HD ARG 29 HD2 ARG 29 -22.700 9.564 9.564 217 2HD ARG 29 HD1 ARG 29 -23.573 9.341 9.341 218 HE ARG 29 HE ARG 29 -25.240 9.739 9.739 219 1HH1 ARG 29 HH1 ARG 29 -23.632 11.198 11.198 220 2HH1 ARG 29 HH1 ARG 29 -24.639 12.650 12.650 221 1HH2 ARG 29 HH2 ARG 29 -26.589 11.656 11.656 222 2HH2 ARG 29 HH2 ARG 29 -26.328 12.912 12.912 223 H TYR 30 H TYR 30 -19.843 7.582 7.582 224 HA TYR 30 HA TYR 30 -19.069 5.050 5.050 225 1HB TYR 30 HB1 TYR 30 -17.464 7.632 7.632 226 2HB TYR 30 HB2 TYR 30 -16.892 6.171 6.171 227 HD1 TYR 30 HD1 TYR 30 -19.658 8.729 8.729 228 HD2 TYR 30 HD2 TYR 30 -17.168 5.838 5.838 229 HE1 TYR 30 HE1 TYR 30 -20.569 9.479 9.479 230 HE2 TYR 30 HE2 TYR 30 -18.080 6.590 6.590 231 HH TYR 30 HH TYR 30 -19.239 8.947 8.947 232 H PHE 31 H PHE 31 -17.054 3.992 3.992 233 HA PHE 31 HA PHE 31 -16.338 4.618 4.618 234 1HB PHE 31 HB2 PHE 31 -17.219 2.732 2.732 235 2HB PHE 31 HB1 PHE 31 -18.543 3.301 3.301 236 HD1 PHE 31 HD2 PHE 31 -18.769 2.236 2.236 237 HD2 PHE 31 HD1 PHE 31 -16.564 0.444 0.444 238 HE1 PHE 31 HE2 PHE 31 -18.949 0.012 0.012 239 HE2 PHE 31 HE1 PHE 31 -16.748 -1.776 -1.776 240 HZ PHE 31 HZ PHE 31 -17.940 -1.996 -1.996 241 H TYR 32 H TYR 32 -14.285 3.837 3.837 242 HA TYR 32 HA TYR 32 -12.825 2.777 2.777 243 1HB TYR 32 HB1 TYR 32 -11.932 4.375 4.375 244 2HB TYR 32 HB2 TYR 32 -11.880 2.989 2.989 245 HD1 TYR 32 HD2 TYR 32 -10.295 1.115 1.115 246 HD2 TYR 32 HD1 TYR 32 -10.257 4.610 4.610 247 HE1 TYR 32 HE2 TYR 32 -8.043 0.488 0.488 248 HE2 TYR 32 HE1 TYR 32 -8.007 3.982 3.982 249 HH TYR 32 HH TYR 32 -6.619 1.020 1.020 250 H ASN 33 H ASN 33 -13.429 0.739 0.739 251 HA ASN 33 HA ASN 33 -13.864 -1.324 -1.324 252 1HB ASN 33 HB2 ASN 33 -15.236 -1.040 -1.040 253 2HB ASN 33 HB1 ASN 33 -13.812 -1.706 -1.706 254 1HD2 ASN 33 HD2 ASN 33 -16.256 -4.449 -4.449 255 2HD2 ASN 33 HD2 ASN 33 -16.286 -2.918 -2.918 256 H ASN 34 H ASN 34 -12.319 -2.719 -2.719 257 HA ASN 34 HA ASN 34 -9.627 -2.505 -2.505 258 1HB ASN 34 HB2 ASN 34 -9.885 -3.236 -3.236 259 2HB ASN 34 HB1 ASN 34 -11.089 -4.459 -4.459 260 1HD2 ASN 34 HD2 ASN 34 -7.051 -5.076 -5.076 261 2HD2 ASN 34 HD2 ASN 34 -7.769 -3.462 -3.462 262 H GLN 35 H GLN 35 -12.446 -4.372 -4.372 263 HA GLN 35 HA GLN 35 -11.301 -6.647 -6.647 264 1HB GLN 35 HB2 GLN 35 -13.802 -5.753 -5.753 265 2HB GLN 35 HB1 GLN 35 -13.427 -5.227 -5.227 266 1HG GLN 35 HG2 GLN 35 -14.449 -7.507 -7.507 267 2HG GLN 35 HG1 GLN 35 -12.822 -7.517 -7.517 268 1HE2 GLN 35 HE2 GLN 35 -12.403 -10.344 -10.344 269 2HE2 GLN 35 HE2 GLN 35 -12.810 -9.776 -9.776 270 H THR 36 H THR 36 -11.582 -3.350 -3.350 271 HA THR 36 HA THR 36 -9.621 -4.226 -4.226 272 HB THR 36 HB THR 36 -10.754 -2.630 -2.630 273 HG1 THR 36 HG1 THR 36 -12.389 -1.390 -1.390 274 1HG2 THR 36 HG2 THR 36 -12.426 -4.628 -4.628 275 2HG2 THR 36 HG2 THR 36 -13.283 -3.464 -3.464 276 3HG2 THR 36 HG2 THR 36 -12.108 -4.577 -4.577 277 H LYS 37 H LYS 37 -9.373 -3.062 -3.062 278 HA LYS 37 HA LYS 37 -8.414 -1.262 -1.262 279 1HB LYS 37 HB2 LYS 37 -6.409 -2.038 -2.038 280 2HB LYS 37 HB1 LYS 37 -6.030 -0.976 -0.976 281 1HG LYS 37 HG2 LYS 37 -5.662 -2.812 -2.812 282 2HG LYS 37 HG1 LYS 37 -7.373 -3.244 -3.244 283 1HD LYS 37 HD2 LYS 37 -5.954 -5.106 -5.106 284 2HD LYS 37 HD1 LYS 37 -6.810 -4.421 -4.421 285 1HE LYS 37 HE2 LYS 37 -4.530 -2.916 -2.916 286 2HE LYS 37 HE1 LYS 37 -3.898 -4.418 -4.418 287 1HZ LYS 37 HZ1 LYS 37 -5.426 -4.198 -4.198 288 2HZ LYS 37 HZ3 LYS 37 -3.776 -4.422 -4.422 289 3HZ LYS 37 HZ2 LYS 37 -4.825 -5.605 -5.605 290 H GLN 38 H GLN 38 -10.400 -0.173 -0.173 291 HA GLN 38 HA GLN 38 -9.275 2.413 2.413 292 1HB GLN 38 HB2 GLN 38 -9.530 0.638 0.638 293 2HB GLN 38 HB1 GLN 38 -11.026 1.589 1.589 294 1HG GLN 38 HG2 GLN 38 -9.907 3.538 3.538 295 2HG GLN 38 HG1 GLN 38 -8.499 3.110 3.110 296 1HE2 GLN 38 HE2 GLN 38 -6.605 1.741 1.741 297 2HE2 GLN 38 HE2 GLN 38 -6.769 2.164 2.164 298 H CYS 39 H CYS 39 -11.516 3.561 3.561 299 HA CYS 39 HA CYS 39 -13.489 3.269 3.269 300 1HB CYS 39 HB2 CYS 39 -12.880 5.494 5.494 301 2HB CYS 39 HB1 CYS 39 -14.356 5.464 5.464 302 HG CYS 39 HG CYS 39 -11.138 6.126 6.126 303 H GLU 40 H GLU 40 -15.278 2.088 2.088 304 HA GLU 40 HA GLU 40 -16.111 1.847 1.847 305 1HB GLU 40 HB2 GLU 40 -17.011 -0.018 -0.018 306 2HB GLU 40 HB1 GLU 40 -16.968 -0.300 -0.300 307 1HG GLU 40 HG2 GLU 40 -14.424 -0.110 -0.110 308 2HG GLU 40 HG1 GLU 40 -14.617 -0.122 -0.122 309 H ARG 41 H ARG 41 -18.370 2.023 2.023 310 HA ARG 41 HA ARG 41 -19.743 3.942 3.942 311 1HB ARG 41 HB2 ARG 41 -19.910 3.023 3.023 312 2HB ARG 41 HB1 ARG 41 -21.517 2.992 2.992 313 1HG ARG 41 HG2 ARG 41 -21.546 5.295 5.295 314 2HG ARG 41 HG1 ARG 41 -19.779 5.406 5.406 315 1HD ARG 41 HD2 ARG 41 -19.984 6.281 6.281 316 2HD ARG 41 HD1 ARG 41 -20.045 4.571 4.571 317 HE ARG 41 HE ARG 41 -22.245 6.524 6.524 318 1HH1 ARG 41 HH1 ARG 41 -21.325 3.108 3.108 319 2HH1 ARG 41 HH1 ARG 41 -22.855 2.542 2.542 320 1HH2 ARG 41 HH2 ARG 41 -24.283 5.798 5.798 321 2HH2 ARG 41 HH2 ARG 41 -24.544 4.078 4.078 322 H PHE 42 H PHE 42 -21.682 3.641 3.641 323 HA PHE 42 HA PHE 42 -23.054 1.038 1.038 324 1HB PHE 42 HB2 PHE 42 -22.330 0.167 0.167 325 2HB PHE 42 HB1 PHE 42 -20.833 0.905 0.905 326 HD1 PHE 42 HD2 PHE 42 -20.374 3.395 3.395 327 HD2 PHE 42 HD1 PHE 42 -23.121 0.673 0.673 328 HE1 PHE 42 HE2 PHE 42 -20.222 4.723 4.723 329 HE2 PHE 42 HE1 PHE 42 -22.963 2.007 2.007 330 HZ PHE 42 HZ PHE 42 -21.515 4.032 4.032 331 H LYS 43 H LYS 43 -24.945 1.099 1.099 332 HA LYS 43 HA LYS 43 -26.083 3.751 3.751 333 1HB LYS 43 HB2 LYS 43 -27.023 1.025 1.025 334 2HB LYS 43 HB1 LYS 43 -27.798 2.021 2.021 335 1HG LYS 43 HG2 LYS 43 -29.215 2.406 2.406 336 2HG LYS 43 HG1 LYS 43 -28.066 3.743 3.743 337 1HD LYS 43 HD2 LYS 43 -28.216 2.809 2.809 338 2HD LYS 43 HD1 LYS 43 -26.738 2.080 2.080 339 1HE LYS 43 HE2 LYS 43 -28.026 0.048 0.048 340 2HE LYS 43 HE1 LYS 43 -29.508 0.794 0.794 341 1HZ LYS 43 HZ1 LYS 43 -27.073 0.187 0.187 342 2HZ LYS 43 HZ3 LYS 43 -28.498 -0.685 -0.685 343 3HZ LYS 43 HZ2 LYS 43 -28.462 0.870 0.870 344 H TYR 44 H TYR 44 -27.652 3.751 3.751 345 HA TYR 44 HA TYR 44 -25.753 3.438 3.438 346 1HB TYR 44 HB1 TYR 44 -25.037 5.606 5.606 347 2HB TYR 44 HB2 TYR 44 -26.694 6.186 6.186 348 HD1 TYR 44 HD2 TYR 44 -26.254 4.240 4.240 349 HD2 TYR 44 HD1 TYR 44 -25.373 8.131 8.131 350 HE1 TYR 44 HE2 TYR 44 -25.996 5.163 5.163 351 HE2 TYR 44 HE1 TYR 44 -25.115 9.052 9.052 352 HH TYR 44 HH TYR 44 -24.760 7.197 7.197 353 H GLY 45 H GLY 45 -28.239 5.927 5.927 354 1HA GLY 45 HA1 GLY 45 -30.637 5.076 5.076 355 2HA GLY 45 HA2 GLY 45 -29.872 4.058 4.058 356 H GLY 46 H GLY 46 -28.140 5.500 5.500 357 1HA GLY 46 HA1 GLY 46 -27.739 7.499 7.499 358 2HA GLY 46 HA2 GLY 46 -29.239 8.197 8.197 359 H CYS 47 H CYS 47 -28.032 5.500 5.500 360 HA CYS 47 HA CYS 47 -29.711 6.268 6.268 361 1HB CYS 47 HB2 CYS 47 -31.046 4.063 4.063 362 2HB CYS 47 HB1 CYS 47 -31.601 5.453 5.453 363 HG CYS 47 HG CYS 47 -30.122 4.241 4.241 364 H LEU 48 H LEU 48 -27.572 6.116 6.116 365 HA LEU 48 HA LEU 48 -26.063 5.064 5.064 366 1HB LEU 48 HB2 LEU 48 -27.415 3.775 3.775 367 2HB LEU 48 HB1 LEU 48 -28.173 3.043 3.043 368 HG LEU 48 HG LEU 48 -25.386 2.280 2.280 369 1HD1 LEU 48 HD1 LEU 48 -27.452 1.455 1.455 370 2HD1 LEU 48 HD1 LEU 48 -25.839 0.717 0.717 371 3HD1 LEU 48 HD1 LEU 48 -25.990 2.422 2.422 372 1HD2 LEU 48 HD2 LEU 48 -26.796 1.173 1.173 373 2HD2 LEU 48 HD2 LEU 48 -26.291 -0.006 -0.006 374 3HD2 LEU 48 HD2 LEU 48 -27.937 0.659 0.659 375 H GLY 49 H GLY 49 -27.046 2.816 2.816 376 1HA GLY 49 HA1 GLY 49 -25.571 1.411 1.411 377 2HA GLY 49 HA2 GLY 49 -25.158 3.022 3.022 378 H ASN 50 H ASN 50 -23.054 3.680 3.680 379 HA ASN 50 HA ASN 50 -21.419 3.072 3.072 380 1HB ASN 50 HB2 ASN 50 -19.898 1.485 1.485 381 2HB ASN 50 HB1 ASN 50 -21.478 0.837 0.837 382 1HD2 ASN 50 HD2 ASN 50 -19.016 0.795 0.795 383 2HD2 ASN 50 HD2 ASN 50 -19.011 0.207 0.207 384 H MET 51 H MET 51 -18.897 3.071 3.071 385 HA MET 51 HA MET 51 -18.948 5.935 5.935 386 1HB MET 51 HB2 MET 51 -16.514 4.135 4.135 387 2HB MET 51 HB1 MET 51 -16.598 5.901 5.901 388 1HG MET 51 HG2 MET 51 -18.319 4.833 4.833 389 2HG MET 51 HG1 MET 51 -16.833 3.864 3.864 390 1HE MET 51 HE1 MET 51 -17.352 5.308 5.308 391 2HE MET 51 HE3 MET 51 -17.013 7.058 7.058 392 3HE MET 51 HE2 MET 51 -18.445 6.479 6.479 393 H ASN 52 H ASN 52 -16.300 5.186 5.186 394 HA ASN 52 HA ASN 52 -15.992 5.348 5.348 395 1HB ASN 52 HB2 ASN 52 -15.654 2.895 2.895 396 2HB ASN 52 HB1 ASN 52 -17.115 2.538 2.538 397 1HD2 ASN 52 HD2 ASN 52 -14.678 1.697 1.697 398 2HD2 ASN 52 HD2 ASN 52 -15.663 1.083 1.083 399 H ASN 53 H ASN 53 -18.208 6.759 6.759 400 HA ASN 53 HA ASN 53 -19.935 5.626 5.626 401 1HB ASN 53 HB2 ASN 53 -21.284 5.316 5.316 402 2HB ASN 53 HB1 ASN 53 -20.803 6.894 6.894 403 1HD2 ASN 53 HD2 ASN 53 -23.421 8.647 8.647 404 2HD2 ASN 53 HD2 ASN 53 -22.125 8.523 8.523 405 H PHE 54 H PHE 54 -18.262 7.085 7.085 406 HA PHE 54 HA PHE 54 -18.545 9.988 9.988 407 1HB PHE 54 HB2 PHE 54 -17.253 8.397 8.397 408 2HB PHE 54 HB1 PHE 54 -17.047 10.108 10.108 409 HD1 PHE 54 HD2 PHE 54 -15.673 10.923 10.923 410 HD2 PHE 54 HD1 PHE 54 -16.112 6.692 6.692 411 HE1 PHE 54 HE2 PHE 54 -13.736 10.444 10.444 412 HE2 PHE 54 HE1 PHE 54 -14.176 6.222 6.222 413 HZ PHE 54 HZ PHE 54 -12.985 8.095 8.095 414 H GLU 55 H GLU 55 -19.011 11.311 11.311 415 HA GLU 55 HA GLU 55 -21.533 10.229 10.229 416 1HB GLU 55 HB2 GLU 55 -20.610 13.125 13.125 417 2HB GLU 55 HB1 GLU 55 -22.196 12.538 12.538 418 1HG GLU 55 HG2 GLU 55 -22.389 11.482 11.482 419 2HG GLU 55 HG1 GLU 55 -21.000 12.496 12.496 420 H THR 56 H THR 56 -18.381 11.743 11.743 421 HA THR 56 HA THR 56 -18.863 11.057 11.057 422 HB THR 56 HB THR 56 -16.944 13.072 13.072 423 HG1 THR 56 HG1 THR 56 -18.813 13.691 13.691 424 1HG2 THR 56 HG2 THR 56 -19.976 13.022 13.022 425 2HG2 THR 56 HG2 THR 56 -19.184 14.605 14.605 426 3HG2 THR 56 HG2 THR 56 -18.839 13.568 13.568 427 H LEU 57 H LEU 57 -16.922 10.372 10.372 428 HA LEU 57 HA LEU 57 -15.434 8.469 8.469 429 1HB LEU 57 HB2 LEU 57 -16.099 8.420 8.420 430 2HB LEU 57 HB1 LEU 57 -14.743 9.524 9.524 431 HG LEU 57 HG LEU 57 -13.314 7.746 7.746 432 1HD1 LEU 57 HD1 LEU 57 -15.747 6.034 6.034 433 2HD1 LEU 57 HD1 LEU 57 -14.141 5.404 5.404 434 3HD1 LEU 57 HD1 LEU 57 -15.083 6.372 6.372 435 1HD2 LEU 57 HD2 LEU 57 -13.148 8.221 8.221 436 2HD2 LEU 57 HD2 LEU 57 -13.018 6.463 6.463 437 3HD2 LEU 57 HD2 LEU 57 -14.530 7.160 7.160 438 H GLU 58 H GLU 58 -14.485 11.611 11.611 439 HA GLU 58 HA GLU 58 -11.823 11.613 11.613 440 1HB GLU 58 HB2 GLU 58 -13.420 13.354 13.354 441 2HB GLU 58 HB1 GLU 58 -13.176 14.248 14.248 442 1HG GLU 58 HG2 GLU 58 -10.714 13.950 13.950 443 2HG GLU 58 HG1 GLU 58 -10.988 13.084 13.084 444 H GLU 59 H GLU 59 -14.802 12.209 12.209 445 HA GLU 59 HA GLU 59 -13.507 13.468 13.468 446 1HB GLU 59 HB2 GLU 59 -16.153 13.018 13.018 447 2HB GLU 59 HB1 GLU 59 -15.975 12.062 12.062 448 1HG GLU 59 HG2 GLU 59 -16.181 13.963 13.963 449 2HG GLU 59 HG1 GLU 59 -14.678 14.557 14.557 450 H CYS 60 H CYS 60 -14.644 10.117 10.117 451 HA CYS 60 HA CYS 60 -13.752 9.071 9.071 452 1HB CYS 60 HB2 CYS 60 -15.467 7.952 7.952 453 2HB CYS 60 HB1 CYS 60 -14.410 7.766 7.766 454 HG CYS 60 HG CYS 60 -14.147 5.228 5.228 455 H LYS 61 H LYS 61 -12.214 9.783 9.783 456 HA LYS 61 HA LYS 61 -9.914 8.104 8.104 457 1HB LYS 61 HB2 LYS 61 -10.289 10.265 10.265 458 2HB LYS 61 HB1 LYS 61 -8.992 9.055 9.055 459 1HG LYS 61 HG2 LYS 61 -11.390 7.584 7.584 460 2HG LYS 61 HG1 LYS 61 -11.735 8.828 8.828 461 1HD LYS 61 HD2 LYS 61 -10.414 7.805 7.805 462 2HD LYS 61 HD1 LYS 61 -9.087 7.622 7.622 463 1HE LYS 61 HE2 LYS 61 -9.552 5.393 5.393 464 2HE LYS 61 HE1 LYS 61 -10.919 5.768 5.768 465 1HZ LYS 61 HZ1 LYS 61 -10.985 5.746 5.746 466 2HZ LYS 61 HZ3 LYS 61 -11.601 4.564 4.564 467 3HZ LYS 61 HZ2 LYS 61 -12.274 6.082 6.082 468 H ASN 62 H ASN 62 -10.580 11.667 11.667 469 HA ASN 62 HA ASN 62 -8.058 12.558 12.558 470 1HB ASN 62 HB2 ASN 62 -10.252 13.881 13.881 471 2HB ASN 62 HB1 ASN 62 -10.615 13.761 13.761 472 1HD2 ASN 62 HD2 ASN 62 -7.895 15.845 15.845 473 2HD2 ASN 62 HD2 ASN 62 -8.864 14.429 14.429 474 H ILE 63 H ILE 63 -10.857 11.350 11.350 475 HA ILE 63 HA ILE 63 -9.488 11.843 11.843 476 HB ILE 63 HB ILE 63 -11.983 10.362 10.362 477 1HG1 ILE 63 HG1 ILE 63 -12.672 12.509 12.509 478 2HG1 ILE 63 HG1 ILE 63 -12.770 12.481 12.481 479 1HG2 ILE 63 HG2 ILE 63 -10.877 10.952 10.952 480 2HG2 ILE 63 HG2 ILE 63 -12.521 10.348 10.348 481 3HG2 ILE 63 HG2 ILE 63 -11.105 9.355 9.355 482 1HD1 ILE 63 HD1 ILE 63 -10.363 13.415 13.415 483 2HD1 ILE 63 HD1 ILE 63 -11.533 14.469 14.469 484 3HD1 ILE 63 HD1 ILE 63 -10.458 13.407 13.407 485 H CYS 64 H CYS 64 -10.414 8.887 8.887 486 HA CYS 64 HA CYS 64 -8.741 7.242 7.242 487 1HB CYS 64 HB2 CYS 64 -10.070 6.468 6.468 488 2HB CYS 64 HB1 CYS 64 -9.474 5.392 5.392 489 HG CYS 64 HG CYS 64 -12.521 6.262 6.262 490 H GLU 65 H GLU 65 -8.793 7.166 7.166 491 HA GLU 65 HA GLU 65 -6.282 6.349 6.349 492 1HB GLU 65 HB2 GLU 65 -8.019 8.324 8.324 493 2HB GLU 65 HB1 GLU 65 -6.339 8.145 8.145 494 1HG GLU 65 HG2 GLU 65 -7.059 5.524 5.524 495 2HG GLU 65 HG1 GLU 65 -8.633 6.239 6.239 496 H ASP 66 H ASP 66 -7.203 9.548 9.548 497 HA ASP 66 HA ASP 66 -5.938 11.359 11.359 498 1HB ASP 66 HB2 ASP 66 -3.983 10.851 10.851 499 2HB ASP 66 HB1 ASP 66 -5.301 9.725 9.725 500 H GLY 67 H GLY 67 -5.809 11.594 11.594 501 1HA GLY 67 HA1 GLY 67 -3.719 11.017 11.017 502 2HA GLY 67 HA2 GLY 67 -4.444 12.636 12.636 503 HA PRO 68 HA PRO 68 -0.029 12.453 12.453 504 1HB PRO 68 HB2 PRO 68 1.497 12.800 12.800 505 2HB PRO 68 HB1 PRO 68 1.231 11.235 11.235 506 1HG PRO 68 HG2 PRO 68 0.079 12.310 12.310 507 2HG PRO 68 HG1 PRO 68 0.162 10.637 10.637 508 1HD PRO 68 HD2 PRO 68 -2.121 12.363 12.363 509 2HD PRO 68 HD1 PRO 68 -1.992 10.727 10.727 510 H ASN 69 H ASN 69 1.485 14.280 14.280 511 HA ASN 69 HA ASN 69 1.610 16.555 16.555 512 1HB ASN 69 HB2 ASN 69 1.514 17.898 17.898 513 2HB ASN 69 HB1 ASN 69 2.741 16.622 16.622 514 1HD2 ASN 69 HD2 ASN 69 1.536 14.700 14.700 515 2HD2 ASN 69 HD2 ASN 69 2.747 14.987 14.987 516 H GLY 70 H GLY 70 -0.213 16.973 16.973 517 1HA GLY 70 HA1 GLY 70 -1.919 18.897 18.897 518 2HA GLY 70 HA2 GLY 70 -2.684 17.841 17.841 519 H PHE 71 H PHE 71 -2.486 15.315 15.315 520 HA PHE 71 HA PHE 71 -3.441 15.385 15.385 521 1HB PHE 71 HB2 PHE 71 -5.425 13.908 13.908 522 2HB PHE 71 HB1 PHE 71 -5.563 15.637 15.637 523 HD1 PHE 71 HD1 PHE 71 -5.040 17.239 17.239 524 HD2 PHE 71 HD2 PHE 71 -5.852 13.013 13.013 525 HE1 PHE 71 HE1 PHE 71 -5.634 17.589 17.589 526 HE2 PHE 71 HE2 PHE 71 -6.444 13.372 13.372 527 HZ PHE 71 HZ PHE 71 -6.336 15.658 15.658 Start of MODEL 5 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.614 0.963 0.963 3 1HB ASP 1 HB2 ASP 1 3.588 -1.151 -1.151 4 2HB ASP 1 HB1 ASP 1 3.907 -0.874 -0.874 5 H TYR 2 H TYR 2 0.141 1.517 1.517 6 HA TYR 2 HA TYR 2 -1.363 -0.268 -0.268 7 1HB TYR 2 HB1 TYR 2 -1.915 2.154 2.154 8 2HB TYR 2 HB2 TYR 2 -0.944 2.670 2.670 9 HD1 TYR 2 HD1 TYR 2 -3.880 0.404 0.404 10 HD2 TYR 2 HD2 TYR 2 -1.927 3.008 3.008 11 HE1 TYR 2 HE1 TYR 2 -5.820 0.190 0.190 12 HE2 TYR 2 HE2 TYR 2 -3.868 2.793 2.793 13 HH TYR 2 HH TYR 2 -6.620 2.132 2.132 14 H LYS 3 H LYS 3 -1.620 -0.416 -0.416 15 HA LYS 3 HA LYS 3 1.041 -0.207 -0.207 16 1HB LYS 3 HB2 LYS 3 -0.875 -2.402 -2.402 17 2HB LYS 3 HB1 LYS 3 0.887 -2.323 -2.323 18 1HG LYS 3 HG2 LYS 3 0.963 -3.597 -3.597 19 2HG LYS 3 HG1 LYS 3 0.592 -2.091 -2.091 20 1HD LYS 3 HD2 LYS 3 -1.903 -3.018 -3.018 21 2HD LYS 3 HD1 LYS 3 -1.049 -4.493 -4.493 22 1HE LYS 3 HE2 LYS 3 -0.465 -2.667 -2.667 23 2HE LYS 3 HE1 LYS 3 -2.154 -2.303 -2.303 24 1HZ LYS 3 HZ1 LYS 3 -1.068 -4.972 -4.972 25 2HZ LYS 3 HZ3 LYS 3 -1.977 -4.003 -4.003 26 3HZ LYS 3 HZ2 LYS 3 -2.653 -4.638 -4.638 27 H ASP 4 H ASP 4 1.027 1.197 1.197 28 HA ASP 4 HA ASP 4 -0.605 1.189 1.189 29 1HB ASP 4 HB2 ASP 4 -1.893 2.511 2.511 30 2HB ASP 4 HB1 ASP 4 -1.916 3.421 3.421 31 H ASP 5 H ASP 5 -0.218 4.042 4.042 32 HA ASP 5 HA ASP 5 2.267 4.970 4.970 33 1HB ASP 5 HB2 ASP 5 1.605 6.673 6.673 34 2HB ASP 5 HB1 ASP 5 1.968 5.007 5.007 35 H ASP 6 H ASP 6 2.300 7.558 7.558 36 HA ASP 6 HA ASP 6 1.377 8.570 8.570 37 1HB ASP 6 HB2 ASP 6 1.020 10.216 10.216 38 2HB ASP 6 HB1 ASP 6 1.559 10.737 10.737 39 H ASP 7 H ASP 7 -0.480 9.633 9.633 40 HA ASP 7 HA ASP 7 -2.831 10.143 10.143 41 1HB ASP 7 HB2 ASP 7 -3.230 7.832 7.832 42 2HB ASP 7 HB1 ASP 7 -2.613 7.483 7.483 43 H LYS 8 H LYS 8 -2.765 8.432 8.432 44 HA LYS 8 HA LYS 8 -2.354 10.551 10.551 45 1HB LYS 8 HB2 LYS 8 -4.778 11.146 11.146 46 2HB LYS 8 HB1 LYS 8 -4.066 11.883 11.883 47 1HG LYS 8 HG2 LYS 8 -5.181 10.190 10.190 48 2HG LYS 8 HG1 LYS 8 -5.840 9.401 9.401 49 1HD LYS 8 HD2 LYS 8 -7.637 10.732 10.732 50 2HD LYS 8 HD1 LYS 8 -6.869 11.763 11.763 51 1HE LYS 8 HE2 LYS 8 -7.271 13.183 13.183 52 2HE LYS 8 HE1 LYS 8 -5.539 12.804 12.804 53 1HZ LYS 8 HZ1 LYS 8 -7.666 11.442 11.442 54 2HZ LYS 8 HZ3 LYS 8 -6.589 12.570 12.570 55 3HZ LYS 8 HZ2 LYS 8 -6.044 11.090 11.090 56 H LEU 9 H LEU 9 -1.548 9.049 9.049 57 HA LEU 9 HA LEU 9 -2.943 6.596 6.596 58 1HB LEU 9 HB2 LEU 9 -1.199 6.036 6.036 59 2HB LEU 9 HB1 LEU 9 -0.487 6.981 6.981 60 HG LEU 9 HG LEU 9 0.632 7.738 7.738 61 1HD1 LEU 9 HD1 LEU 9 -1.728 9.640 9.640 62 2HD1 LEU 9 HD1 LEU 9 -0.174 10.045 10.045 63 3HD1 LEU 9 HD1 LEU 9 -0.229 9.645 9.645 64 1HD2 LEU 9 HD2 LEU 9 -0.665 6.582 6.582 65 2HD2 LEU 9 HD2 LEU 9 -0.414 8.287 8.287 66 3HD2 LEU 9 HD2 LEU 9 -1.986 7.756 7.756 67 H LYS 10 H LYS 10 -3.580 9.770 9.770 68 HA LYS 10 HA LYS 10 -5.289 10.503 10.503 69 1HB LYS 10 HB2 LYS 10 -5.722 7.785 7.785 70 2HB LYS 10 HB1 LYS 10 -5.517 8.266 8.266 71 1HG LYS 10 HG2 LYS 10 -7.133 10.257 10.257 72 2HG LYS 10 HG1 LYS 10 -7.774 8.677 8.677 73 1HD LYS 10 HD2 LYS 10 -8.161 8.022 8.022 74 2HD LYS 10 HD1 LYS 10 -7.114 9.306 9.306 75 1HE LYS 10 HE2 LYS 10 -9.230 10.210 10.210 76 2HE LYS 10 HE1 LYS 10 -8.875 10.894 10.894 77 1HZ LYS 10 HZ1 LYS 10 -10.439 8.441 8.441 78 2HZ LYS 10 HZ3 LYS 10 -11.060 9.934 9.934 79 3HZ LYS 10 HZ2 LYS 10 -10.125 9.084 9.084 80 HA PRO 11 HA PRO 11 -2.687 12.133 12.133 81 1HB PRO 11 HB2 PRO 11 -4.662 13.330 13.330 82 2HB PRO 11 HB1 PRO 11 -4.019 14.057 14.057 83 1HG PRO 11 HG2 PRO 11 -6.626 12.791 12.791 84 2HG PRO 11 HG1 PRO 11 -6.123 13.877 13.877 85 1HD PRO 11 HD2 PRO 11 -6.502 11.043 11.043 86 2HD PRO 11 HD1 PRO 11 -5.899 12.127 12.127 87 H ASP 12 H ASP 12 -1.711 10.473 10.473 88 HA ASP 12 HA ASP 12 -3.023 8.584 8.584 89 1HB ASP 12 HB2 ASP 12 -0.685 8.418 8.418 90 2HB ASP 12 HB1 ASP 12 -0.219 9.715 9.715 91 H PHE 13 H PHE 13 -1.859 11.894 11.894 92 HA PHE 13 HA PHE 13 -1.783 11.942 11.942 93 1HB PHE 13 HB2 PHE 13 -1.954 14.267 14.267 94 2HB PHE 13 HB1 PHE 13 -1.128 13.744 13.744 95 HD1 PHE 13 HD1 PHE 13 -4.654 14.476 14.476 96 HD2 PHE 13 HD2 PHE 13 -1.804 14.574 14.574 97 HE1 PHE 13 HE1 PHE 13 -6.314 15.652 15.652 98 HE2 PHE 13 HE2 PHE 13 -3.471 15.751 15.751 99 HZ PHE 13 HZ PHE 13 -5.726 16.292 16.292 100 H CYS 14 H CYS 14 -4.547 12.030 12.030 101 HA CYS 14 HA CYS 14 -6.528 12.818 12.818 102 1HB CYS 14 HB2 CYS 14 -6.552 11.124 11.124 103 2HB CYS 14 HB1 CYS 14 -8.032 11.365 11.365 104 HG CYS 14 HG CYS 14 -8.317 13.214 13.214 105 H PHE 15 H PHE 15 -5.052 9.615 9.615 106 HA PHE 15 HA PHE 15 -6.863 8.204 8.204 107 1HB PHE 15 HB2 PHE 15 -4.260 7.144 7.144 108 2HB PHE 15 HB1 PHE 15 -5.735 6.284 6.284 109 HD1 PHE 15 HD1 PHE 15 -7.900 7.472 7.472 110 HD2 PHE 15 HD2 PHE 15 -3.789 6.956 6.956 111 HE1 PHE 15 HE1 PHE 15 -8.609 7.490 7.490 112 HE2 PHE 15 HE2 PHE 15 -4.508 6.975 6.975 113 HZ PHE 15 HZ PHE 15 -6.917 7.243 7.243 114 H LEU 16 H LEU 16 -3.932 10.111 10.111 115 HA LEU 16 HA LEU 16 -2.624 8.860 8.860 116 1HB LEU 16 HB2 LEU 16 -1.802 10.673 10.673 117 2HB LEU 16 HB1 LEU 16 -2.748 11.815 11.815 118 HG LEU 16 HG LEU 16 -0.314 11.711 11.711 119 1HD1 LEU 16 HD1 LEU 16 -2.205 11.002 11.002 120 2HD1 LEU 16 HD1 LEU 16 -0.578 11.709 11.709 121 3HD1 LEU 16 HD1 LEU 16 -1.855 12.624 12.624 122 1HD2 LEU 16 HD2 LEU 16 0.070 9.304 9.304 123 2HD2 LEU 16 HD2 LEU 16 0.539 9.806 9.806 124 3HD2 LEU 16 HD2 LEU 16 -0.990 8.947 8.947 125 H GLU 17 H GLU 17 -3.125 8.561 8.561 126 HA GLU 17 HA GLU 17 -5.527 8.941 8.941 127 1HB GLU 17 HB2 GLU 17 -4.556 8.656 8.656 128 2HB GLU 17 HB1 GLU 17 -3.352 7.952 7.952 129 1HG GLU 17 HG2 GLU 17 -2.060 10.058 10.058 130 2HG GLU 17 HG1 GLU 17 -3.293 10.794 10.794 131 H GLU 18 H GLU 18 -6.573 10.520 10.520 132 HA GLU 18 HA GLU 18 -6.191 13.202 13.202 133 1HB GLU 18 HB2 GLU 18 -8.197 13.739 13.739 134 2HB GLU 18 HB1 GLU 18 -8.400 12.002 12.002 135 1HG GLU 18 HG2 GLU 18 -7.431 11.662 11.662 136 2HG GLU 18 HG1 GLU 18 -7.677 13.405 13.405 137 H ASP 19 H ASP 19 -4.683 14.601 14.601 138 HA ASP 19 HA ASP 19 -3.778 14.292 14.292 139 1HB ASP 19 HB2 ASP 19 -2.192 14.067 14.067 140 2HB ASP 19 HB1 ASP 19 -2.310 15.838 15.838 141 HA PRO 20 HA PRO 20 -5.820 18.296 18.296 142 1HB PRO 20 HB2 PRO 20 -6.520 18.084 18.084 143 2HB PRO 20 HB1 PRO 20 -7.535 17.509 17.509 144 1HG PRO 20 HG2 PRO 20 -5.918 15.988 15.988 145 2HG PRO 20 HG1 PRO 20 -7.241 15.448 15.448 146 1HD PRO 20 HD2 PRO 20 -4.437 15.001 15.001 147 2HD PRO 20 HD1 PRO 20 -5.765 14.561 14.561 148 H GLY 21 H GLY 21 -3.603 19.080 19.080 149 1HA GLY 21 HA1 GLY 21 -1.701 20.235 20.235 150 2HA GLY 21 HA2 GLY 21 -2.797 21.030 21.030 151 H ILE 22 H ILE 22 -0.490 21.035 21.035 152 HA ILE 22 HA ILE 22 -0.205 18.495 18.495 153 HB ILE 22 HB ILE 22 1.678 20.469 20.469 154 1HG1 ILE 22 HG1 ILE 22 3.024 18.537 18.537 155 2HG1 ILE 22 HG1 ILE 22 2.117 17.545 17.545 156 1HG2 ILE 22 HG2 ILE 22 2.190 19.109 19.109 157 2HG2 ILE 22 HG2 ILE 22 3.426 19.942 19.942 158 3HG2 ILE 22 HG2 ILE 22 2.063 20.853 20.853 159 1HD1 ILE 22 HD1 ILE 22 0.996 18.763 18.763 160 2HD1 ILE 22 HD1 ILE 22 1.443 17.052 17.052 161 3HD1 ILE 22 HD1 ILE 22 0.085 17.757 17.757 162 H CYS 23 H CYS 23 -1.099 21.847 21.847 163 HA CYS 23 HA CYS 23 -0.845 21.841 21.841 164 1HB CYS 23 HB2 CYS 23 -1.605 24.125 24.125 165 2HB CYS 23 HB1 CYS 23 -1.224 24.211 24.211 166 HG CYS 23 HG CYS 23 0.947 25.311 25.311 167 H ARG 24 H ARG 24 -3.261 23.656 23.656 168 HA ARG 24 HA ARG 24 -5.426 21.850 21.850 169 1HB ARG 24 HB2 ARG 24 -6.676 23.428 23.428 170 2HB ARG 24 HB1 ARG 24 -5.398 22.423 22.423 171 1HG ARG 24 HG2 ARG 24 -4.095 24.768 24.768 172 2HG ARG 24 HG1 ARG 24 -5.621 25.335 25.335 173 1HD ARG 24 HD2 ARG 24 -4.727 23.397 23.397 174 2HD ARG 24 HD1 ARG 24 -3.232 24.207 24.207 175 HE ARG 24 HE ARG 24 -3.892 26.092 26.092 176 1HH1 ARG 24 HH1 ARG 24 -6.700 24.031 24.031 177 2HH1 ARG 24 HH1 ARG 24 -7.822 24.998 24.998 178 1HH2 ARG 24 HH2 ARG 24 -5.363 27.392 27.392 179 2HH2 ARG 24 HH2 ARG 24 -7.059 26.919 26.919 180 H GLY 25 H GLY 25 -7.625 23.418 23.418 181 1HA GLY 25 HA1 GLY 25 -8.293 25.609 25.609 182 2HA GLY 25 HA2 GLY 25 -7.083 25.275 25.275 183 H TYR 26 H TYR 26 -9.866 23.589 23.589 184 HA TYR 26 HA TYR 26 -10.348 21.942 21.942 185 1HB TYR 26 HB1 TYR 26 -12.219 22.661 22.661 186 2HB TYR 26 HB2 TYR 26 -12.461 21.348 21.348 187 HD1 TYR 26 HD2 TYR 26 -9.105 21.074 21.074 188 HD2 TYR 26 HD1 TYR 26 -12.539 20.657 20.657 189 HE1 TYR 26 HE2 TYR 26 -7.823 19.522 19.522 190 HE2 TYR 26 HE1 TYR 26 -11.256 19.107 19.107 191 HH TYR 26 HH TYR 26 -9.005 17.434 17.434 192 H ILE 27 H ILE 27 -11.361 22.400 22.400 193 HA ILE 27 HA ILE 27 -13.138 24.770 24.770 194 HB ILE 27 HB ILE 27 -11.298 24.077 24.077 195 1HG1 ILE 27 HG1 ILE 27 -10.642 26.448 26.448 196 2HG1 ILE 27 HG1 ILE 27 -10.369 24.868 24.868 197 1HG2 ILE 27 HG2 ILE 27 -12.880 26.596 26.596 198 2HG2 ILE 27 HG2 ILE 27 -11.733 26.428 26.428 199 3HG2 ILE 27 HG2 ILE 27 -13.208 25.442 25.442 200 1HD1 ILE 27 HD1 ILE 27 -9.266 25.762 25.762 201 2HD1 ILE 27 HD1 ILE 27 -8.345 25.659 25.659 202 3HD1 ILE 27 HD1 ILE 27 -8.973 24.186 24.186 203 H THR 28 H THR 28 -13.413 21.701 21.701 204 HA THR 28 HA THR 28 -14.688 20.052 20.052 205 HB THR 28 HB THR 28 -16.322 22.594 22.594 206 HG1 THR 28 HG1 THR 28 -16.815 21.889 21.889 207 1HG2 THR 28 HG2 THR 28 -16.834 19.791 19.791 208 2HG2 THR 28 HG2 THR 28 -18.156 20.600 20.600 209 3HG2 THR 28 HG2 THR 28 -17.491 21.336 21.336 210 H ARG 29 H ARG 29 -12.541 20.213 20.213 211 HA ARG 29 HA ARG 29 -13.241 20.906 20.906 212 1HB ARG 29 HB2 ARG 29 -10.750 19.668 19.668 213 2HB ARG 29 HB1 ARG 29 -10.922 20.019 20.019 214 1HG ARG 29 HG2 ARG 29 -11.148 22.065 22.065 215 2HG ARG 29 HG1 ARG 29 -9.707 21.816 21.816 216 1HD ARG 29 HD2 ARG 29 -11.065 22.395 22.395 217 2HD ARG 29 HD1 ARG 29 -12.468 22.686 22.686 218 HE ARG 29 HE ARG 29 -10.013 24.174 24.174 219 1HH1 ARG 29 HH1 ARG 29 -13.090 24.144 24.144 220 2HH1 ARG 29 HH1 ARG 29 -13.222 25.902 25.902 221 1HH2 ARG 29 HH2 ARG 29 -10.165 26.509 26.509 222 2HH2 ARG 29 HH2 ARG 29 -11.551 27.253 27.253 223 H TYR 30 H TYR 30 -12.327 19.056 19.056 224 HA TYR 30 HA TYR 30 -13.555 16.507 16.507 225 1HB TYR 30 HB1 TYR 30 -13.906 17.796 17.796 226 2HB TYR 30 HB2 TYR 30 -14.523 16.221 16.221 227 HD1 TYR 30 HD1 TYR 30 -14.716 19.801 19.801 228 HD2 TYR 30 HD2 TYR 30 -16.746 16.028 16.028 229 HE1 TYR 30 HE1 TYR 30 -16.828 20.809 20.809 230 HE2 TYR 30 HE2 TYR 30 -18.858 17.038 17.038 231 HH TYR 30 HH TYR 30 -19.390 20.362 20.362 232 H PHE 31 H PHE 31 -12.811 14.554 14.554 233 HA PHE 31 HA PHE 31 -10.276 14.842 14.842 234 1HB PHE 31 HB2 PHE 31 -8.918 13.670 13.670 235 2HB PHE 31 HB1 PHE 31 -9.698 14.918 14.918 236 HD1 PHE 31 HD2 PHE 31 -11.970 14.208 14.208 237 HD2 PHE 31 HD1 PHE 31 -8.917 11.450 11.450 238 HE1 PHE 31 HE2 PHE 31 -12.795 12.509 12.509 239 HE2 PHE 31 HE1 PHE 31 -9.748 9.757 9.757 240 HZ PHE 31 HZ PHE 31 -11.686 10.283 10.283 241 H TYR 32 H TYR 32 -9.695 12.840 12.840 242 HA TYR 32 HA TYR 32 -12.096 11.186 11.186 243 1HB TYR 32 HB1 TYR 32 -10.533 12.086 12.086 244 2HB TYR 32 HB2 TYR 32 -9.368 10.887 10.887 245 HD1 TYR 32 HD2 TYR 32 -9.844 8.431 8.431 246 HD2 TYR 32 HD1 TYR 32 -12.475 11.413 11.413 247 HE1 TYR 32 HE2 TYR 32 -10.894 6.694 6.694 248 HE2 TYR 32 HE1 TYR 32 -13.523 9.676 9.676 249 HH TYR 32 HH TYR 32 -12.763 6.216 6.216 250 H ASN 33 H ASN 33 -12.419 9.876 9.876 251 HA ASN 33 HA ASN 33 -10.145 8.441 8.441 252 1HB ASN 33 HB2 ASN 33 -12.287 9.326 9.326 253 2HB ASN 33 HB1 ASN 33 -13.088 7.903 7.903 254 1HD2 ASN 33 HD2 ASN 33 -11.968 6.955 6.955 255 2HD2 ASN 33 HD2 ASN 33 -13.115 8.060 8.060 256 H ASN 34 H ASN 34 -9.425 6.479 6.479 257 HA ASN 34 HA ASN 34 -10.672 5.119 5.119 258 1HB ASN 34 HB2 ASN 34 -8.234 4.979 4.979 259 2HB ASN 34 HB1 ASN 34 -8.550 4.199 4.199 260 1HD2 ASN 34 HD2 ASN 34 -7.763 1.322 1.322 261 2HD2 ASN 34 HD2 ASN 34 -7.060 2.615 2.615 262 H GLN 35 H GLN 35 -10.971 4.991 4.991 263 HA GLN 35 HA GLN 35 -11.860 2.375 2.375 264 1HB GLN 35 HB2 GLN 35 -11.552 4.488 4.488 265 2HB GLN 35 HB1 GLN 35 -13.319 4.514 4.514 266 1HG GLN 35 HG2 GLN 35 -11.837 1.941 1.941 267 2HG GLN 35 HG1 GLN 35 -12.227 3.088 3.088 268 1HE2 GLN 35 HE2 GLN 35 -15.726 2.524 2.524 269 2HE2 GLN 35 HE2 GLN 35 -14.412 3.629 3.629 270 H THR 36 H THR 36 -13.560 5.238 5.238 271 HA THR 36 HA THR 36 -15.866 3.445 3.445 272 HB THR 36 HB THR 36 -17.345 5.458 5.458 273 HG1 THR 36 HG1 THR 36 -16.373 7.346 7.346 274 1HG2 THR 36 HG2 THR 36 -15.418 4.588 4.588 275 2HG2 THR 36 HG2 THR 36 -16.369 6.060 6.060 276 3HG2 THR 36 HG2 THR 36 -17.202 4.518 4.518 277 H LYS 37 H LYS 37 -13.231 4.306 4.306 278 HA LYS 37 HA LYS 37 -12.595 5.304 5.304 279 1HB LYS 37 HB2 LYS 37 -14.818 3.408 3.408 280 2HB LYS 37 HB1 LYS 37 -13.667 4.116 4.116 281 1HG LYS 37 HG2 LYS 37 -12.232 2.449 2.449 282 2HG LYS 37 HG1 LYS 37 -12.115 3.102 3.102 283 1HD LYS 37 HD2 LYS 37 -12.788 0.857 0.857 284 2HD LYS 37 HD1 LYS 37 -14.304 1.771 1.771 285 1HE LYS 37 HE2 LYS 37 -15.155 0.840 0.840 286 2HE LYS 37 HE1 LYS 37 -13.597 0.919 0.919 287 1HZ LYS 37 HZ1 LYS 37 -14.353 -1.066 -1.066 288 2HZ LYS 37 HZ3 LYS 37 -14.288 -1.331 -1.331 289 3HZ LYS 37 HZ2 LYS 37 -12.898 -1.010 -1.010 290 H GLN 38 H GLN 38 -13.880 7.294 7.294 291 HA GLN 38 HA GLN 38 -15.052 8.729 8.729 292 1HB GLN 38 HB2 GLN 38 -16.887 7.277 7.277 293 2HB GLN 38 HB1 GLN 38 -16.975 8.922 8.922 294 1HG GLN 38 HG2 GLN 38 -18.235 9.521 9.521 295 2HG GLN 38 HG1 GLN 38 -16.858 9.173 9.173 296 1HE2 GLN 38 HE2 GLN 38 -18.028 6.046 6.046 297 2HE2 GLN 38 HE2 GLN 38 -16.647 7.127 7.127 298 H CYS 39 H CYS 39 -16.254 10.852 10.852 299 HA CYS 39 HA CYS 39 -13.876 11.874 11.874 300 1HB CYS 39 HB2 CYS 39 -16.205 13.196 13.196 301 2HB CYS 39 HB1 CYS 39 -15.138 14.087 14.087 302 HG CYS 39 HG CYS 39 -14.488 12.892 12.892 303 H GLU 40 H GLU 40 -13.872 11.960 11.960 304 HA GLU 40 HA GLU 40 -16.526 11.919 11.919 305 1HB GLU 40 HB2 GLU 40 -13.839 10.830 10.830 306 2HB GLU 40 HB1 GLU 40 -15.241 10.988 10.988 307 1HG GLU 40 HG2 GLU 40 -15.578 9.574 9.574 308 2HG GLU 40 HG1 GLU 40 -14.743 8.723 8.723 309 H ARG 41 H ARG 41 -16.948 13.380 13.380 310 HA ARG 41 HA ARG 41 -15.493 15.859 15.859 311 1HB ARG 41 HB2 ARG 41 -17.981 14.933 14.933 312 2HB ARG 41 HB1 ARG 41 -17.074 15.773 15.773 313 1HG ARG 41 HG2 ARG 41 -17.268 17.806 17.806 314 2HG ARG 41 HG1 ARG 41 -17.076 17.106 17.106 315 1HD ARG 41 HD2 ARG 41 -19.378 18.119 18.119 316 2HD ARG 41 HD1 ARG 41 -19.390 16.459 16.459 317 HE ARG 41 HE ARG 41 -20.193 15.705 15.705 318 1HH1 ARG 41 HH1 ARG 41 -18.922 18.991 18.991 319 2HH1 ARG 41 HH1 ARG 41 -19.510 19.225 19.225 320 1HH2 ARG 41 HH2 ARG 41 -20.983 15.991 15.991 321 2HH2 ARG 41 HH2 ARG 41 -20.688 17.512 17.512 322 H PHE 42 H PHE 42 -14.204 16.897 16.897 323 HA PHE 42 HA PHE 42 -13.492 15.640 15.640 324 1HB PHE 42 HB2 PHE 42 -11.578 14.517 14.517 325 2HB PHE 42 HB1 PHE 42 -12.419 14.195 14.195 326 HD1 PHE 42 HD2 PHE 42 -12.071 16.161 16.161 327 HD2 PHE 42 HD1 PHE 42 -9.318 15.176 15.176 328 HE1 PHE 42 HE2 PHE 42 -10.202 17.155 17.155 329 HE2 PHE 42 HE1 PHE 42 -7.456 16.172 16.172 330 HZ PHE 42 HZ PHE 42 -7.893 17.162 17.162 331 H LYS 43 H LYS 43 -11.862 16.906 16.906 332 HA LYS 43 HA LYS 43 -11.941 19.679 19.679 333 1HB LYS 43 HB2 LYS 43 -10.524 19.833 19.833 334 2HB LYS 43 HB1 LYS 43 -12.293 19.692 19.692 335 1HG LYS 43 HG2 LYS 43 -10.635 17.177 17.177 336 2HG LYS 43 HG1 LYS 43 -10.773 18.080 18.080 337 1HD LYS 43 HD2 LYS 43 -13.389 17.919 17.919 338 2HD LYS 43 HD1 LYS 43 -12.675 16.296 16.296 339 1HE LYS 43 HE2 LYS 43 -12.066 16.566 16.566 340 2HE LYS 43 HE1 LYS 43 -13.039 18.050 18.050 341 1HZ LYS 43 HZ1 LYS 43 -14.005 15.346 15.346 342 2HZ LYS 43 HZ3 LYS 43 -14.289 16.151 16.151 343 3HZ LYS 43 HZ2 LYS 43 -14.928 16.727 16.727 344 H TYR 44 H TYR 44 -9.912 21.051 21.051 345 HA TYR 44 HA TYR 44 -7.723 19.373 19.373 346 1HB TYR 44 HB1 TYR 44 -8.688 20.860 20.860 347 2HB TYR 44 HB2 TYR 44 -8.610 22.232 22.232 348 HD1 TYR 44 HD2 TYR 44 -5.661 20.192 20.192 349 HD2 TYR 44 HD1 TYR 44 -7.475 23.301 23.301 350 HE1 TYR 44 HE2 TYR 44 -3.428 20.816 20.816 351 HE2 TYR 44 HE1 TYR 44 -5.242 23.924 23.924 352 HH TYR 44 HH TYR 44 -2.250 22.158 22.158 353 H GLY 45 H GLY 45 -7.432 22.807 22.807 354 1HA GLY 45 HA1 GLY 45 -6.603 23.264 23.264 355 2HA GLY 45 HA2 GLY 45 -5.428 21.970 21.970 356 H GLY 46 H GLY 46 -4.320 22.303 22.303 357 1HA GLY 46 HA1 GLY 46 -3.020 23.637 23.637 358 2HA GLY 46 HA2 GLY 46 -3.898 25.066 25.066 359 H CYS 47 H CYS 47 -1.032 23.080 23.080 360 HA CYS 47 HA CYS 47 0.368 25.096 25.096 361 1HB CYS 47 HB2 CYS 47 -1.132 23.373 23.373 362 2HB CYS 47 HB1 CYS 47 0.567 22.889 22.889 363 HG CYS 47 HG CYS 47 -0.183 26.227 26.227 364 H LEU 48 H LEU 48 0.059 21.598 21.598 365 HA LEU 48 HA LEU 48 2.466 21.632 21.632 366 1HB LEU 48 HB2 LEU 48 3.334 21.746 21.746 367 2HB LEU 48 HB1 LEU 48 2.684 20.112 20.112 368 HG LEU 48 HG LEU 48 4.243 19.140 19.140 369 1HD1 LEU 48 HD1 LEU 48 4.761 21.822 21.822 370 2HD1 LEU 48 HD1 LEU 48 5.614 20.301 20.301 371 3HD1 LEU 48 HD1 LEU 48 3.870 20.444 20.444 372 1HD2 LEU 48 HD2 LEU 48 5.392 20.038 20.038 373 2HD2 LEU 48 HD2 LEU 48 6.494 20.057 20.057 374 3HD2 LEU 48 HD2 LEU 48 5.727 21.559 21.559 375 H GLY 49 H GLY 49 -0.287 20.919 20.919 376 1HA GLY 49 HA1 GLY 49 -0.490 17.995 17.995 377 2HA GLY 49 HA2 GLY 49 -1.675 19.127 19.127 378 H ASN 50 H ASN 50 -1.854 17.642 17.642 379 HA ASN 50 HA ASN 50 0.346 18.115 18.115 380 1HB ASN 50 HB2 ASN 50 -0.456 15.737 15.737 381 2HB ASN 50 HB1 ASN 50 0.766 15.850 15.850 382 1HD2 ASN 50 HD2 ASN 50 -3.008 14.311 14.311 383 2HD2 ASN 50 HD2 ASN 50 -2.513 15.079 15.079 384 H MET 51 H MET 51 -0.635 17.147 17.147 385 HA MET 51 HA MET 51 -2.531 18.958 18.958 386 1HB MET 51 HB2 MET 51 -1.552 16.287 16.287 387 2HB MET 51 HB1 MET 51 -3.106 16.805 16.805 388 1HG MET 51 HG2 MET 51 -1.303 17.555 17.555 389 2HG MET 51 HG1 MET 51 -2.007 18.976 18.976 390 1HE MET 51 HE1 MET 51 0.179 20.396 20.396 391 2HE MET 51 HE3 MET 51 1.840 19.878 19.878 392 3HE MET 51 HE2 MET 51 0.884 18.974 18.974 393 H ASN 52 H ASN 52 -3.333 15.457 15.457 394 HA ASN 52 HA ASN 52 -5.998 15.406 15.406 395 1HB ASN 52 HB2 ASN 52 -4.729 13.486 13.486 396 2HB ASN 52 HB1 ASN 52 -4.367 14.368 14.368 397 1HD2 ASN 52 HD2 ASN 52 -7.739 12.166 12.166 398 2HD2 ASN 52 HD2 ASN 52 -6.362 12.171 12.171 399 H ASN 53 H ASN 53 -7.177 17.288 17.288 400 HA ASN 53 HA ASN 53 -8.347 17.788 17.788 401 1HB ASN 53 HB2 ASN 53 -6.435 18.525 18.525 402 2HB ASN 53 HB1 ASN 53 -5.704 19.223 19.223 403 1HD2 ASN 53 HD2 ASN 53 -6.823 22.443 22.443 404 2HD2 ASN 53 HD2 ASN 53 -5.691 21.326 21.326 405 H PHE 54 H PHE 54 -10.064 18.163 18.163 406 HA PHE 54 HA PHE 54 -9.830 20.554 20.554 407 1HB PHE 54 HB2 PHE 54 -11.993 18.436 18.436 408 2HB PHE 54 HB1 PHE 54 -11.791 19.672 19.672 409 HD1 PHE 54 HD2 PHE 54 -10.087 19.504 19.504 410 HD2 PHE 54 HD1 PHE 54 -10.512 16.418 16.418 411 HE1 PHE 54 HE2 PHE 54 -8.703 17.967 17.967 412 HE2 PHE 54 HE1 PHE 54 -9.127 14.889 14.889 413 HZ PHE 54 HZ PHE 54 -8.222 15.659 15.659 414 H GLU 55 H GLU 55 -11.958 21.844 21.844 415 HA GLU 55 HA GLU 55 -12.753 22.453 22.453 416 1HB GLU 55 HB2 GLU 55 -13.075 24.088 24.088 417 2HB GLU 55 HB1 GLU 55 -13.578 24.604 24.604 418 1HG GLU 55 HG2 GLU 55 -11.058 24.051 24.051 419 2HG GLU 55 HG1 GLU 55 -10.803 24.234 24.234 420 H THR 56 H THR 56 -14.102 21.874 21.874 421 HA THR 56 HA THR 56 -16.739 21.337 21.337 422 HB THR 56 HB THR 56 -17.354 21.688 21.688 423 HG1 THR 56 HG1 THR 56 -15.137 23.370 23.370 424 1HG2 THR 56 HG2 THR 56 -16.929 23.621 23.621 425 2HG2 THR 56 HG2 THR 56 -17.145 24.308 24.308 426 3HG2 THR 56 HG2 THR 56 -18.427 23.302 23.302 427 H LEU 57 H LEU 57 -17.868 19.414 19.414 428 HA LEU 57 HA LEU 57 -16.260 17.147 17.147 429 1HB LEU 57 HB2 LEU 57 -18.440 17.205 17.205 430 2HB LEU 57 HB1 LEU 57 -19.208 17.451 17.451 431 HG LEU 57 HG LEU 57 -17.912 15.229 15.229 432 1HD1 LEU 57 HD1 LEU 57 -18.307 14.999 14.999 433 2HD1 LEU 57 HD1 LEU 57 -17.906 13.644 13.644 434 3HD1 LEU 57 HD1 LEU 57 -16.764 14.985 14.985 435 1HD2 LEU 57 HD2 LEU 57 -20.344 15.494 15.494 436 2HD2 LEU 57 HD2 LEU 57 -19.961 13.927 13.927 437 3HD2 LEU 57 HD2 LEU 57 -20.527 15.288 15.288 438 H GLU 58 H GLU 58 -18.408 18.852 18.852 439 HA GLU 58 HA GLU 58 -17.953 17.200 17.200 440 1HB GLU 58 HB2 GLU 58 -19.372 19.466 19.466 441 2HB GLU 58 HB1 GLU 58 -18.003 20.137 20.137 442 1HG GLU 58 HG2 GLU 58 -18.384 18.458 18.458 443 2HG GLU 58 HG1 GLU 58 -19.735 17.776 17.776 444 H GLU 59 H GLU 59 -16.030 20.055 20.055 445 HA GLU 59 HA GLU 59 -14.152 20.066 20.066 446 1HB GLU 59 HB2 GLU 59 -14.497 21.573 21.573 447 2HB GLU 59 HB1 GLU 59 -13.156 20.565 20.565 448 1HG GLU 59 HG2 GLU 59 -11.659 21.479 21.479 449 2HG GLU 59 HG1 GLU 59 -12.890 21.692 21.692 450 H CYS 60 H CYS 60 -14.109 18.224 18.224 451 HA CYS 60 HA CYS 60 -11.625 16.962 16.962 452 1HB CYS 60 HB2 CYS 60 -12.435 16.924 16.924 453 2HB CYS 60 HB1 CYS 60 -14.018 16.297 16.297 454 HG CYS 60 HG CYS 60 -11.169 14.614 14.614 455 H LYS 61 H LYS 61 -14.869 16.392 16.392 456 HA LYS 61 HA LYS 61 -14.243 13.716 13.716 457 1HB LYS 61 HB2 LYS 61 -16.587 15.463 15.463 458 2HB LYS 61 HB1 LYS 61 -16.453 13.700 13.700 459 1HG LYS 61 HG2 LYS 61 -15.899 14.170 14.170 460 2HG LYS 61 HG1 LYS 61 -17.164 15.359 15.359 461 1HD LYS 61 HD2 LYS 61 -18.735 13.738 13.738 462 2HD LYS 61 HD1 LYS 61 -17.827 12.811 12.811 463 1HE LYS 61 HE2 LYS 61 -17.491 11.270 11.270 464 2HE LYS 61 HE1 LYS 61 -16.378 12.438 12.438 465 1HZ LYS 61 HZ1 LYS 61 -19.280 12.237 12.237 466 2HZ LYS 61 HZ3 LYS 61 -18.058 11.698 11.698 467 3HZ LYS 61 HZ2 LYS 61 -18.243 13.322 13.322 468 H ASN 62 H ASN 62 -14.721 16.970 16.970 469 HA ASN 62 HA ASN 62 -14.233 16.284 16.284 470 1HB ASN 62 HB2 ASN 62 -14.801 18.598 18.598 471 2HB ASN 62 HB1 ASN 62 -13.057 18.760 18.760 472 1HD2 ASN 62 HD2 ASN 62 -12.519 20.069 20.069 473 2HD2 ASN 62 HD2 ASN 62 -12.210 20.060 20.060 474 H ILE 63 H ILE 63 -11.859 17.117 17.117 475 HA ILE 63 HA ILE 63 -9.615 16.728 16.728 476 HB ILE 63 HB ILE 63 -9.983 17.094 17.094 477 1HG1 ILE 63 HG1 ILE 63 -8.361 19.099 19.099 478 2HG1 ILE 63 HG1 ILE 63 -9.047 18.741 18.741 479 1HG2 ILE 63 HG2 ILE 63 -7.330 16.566 16.566 480 2HG2 ILE 63 HG2 ILE 63 -7.508 17.169 17.169 481 3HG2 ILE 63 HG2 ILE 63 -8.103 15.554 15.554 482 1HD1 ILE 63 HD1 ILE 63 -10.646 19.355 19.355 483 2HD1 ILE 63 HD1 ILE 63 -10.362 20.477 20.477 484 3HD1 ILE 63 HD1 ILE 63 -11.340 19.016 19.016 485 H CYS 64 H CYS 64 -11.022 14.806 14.806 486 HA CYS 64 HA CYS 64 -9.323 12.547 12.547 487 1HB CYS 64 HB2 CYS 64 -11.644 12.622 12.622 488 2HB CYS 64 HB1 CYS 64 -10.336 11.425 11.425 489 HG CYS 64 HG CYS 64 -10.455 13.914 13.914 490 H GLU 65 H GLU 65 -12.836 12.310 12.310 491 HA GLU 65 HA GLU 65 -13.515 10.210 10.210 492 1HB GLU 65 HB2 GLU 65 -14.952 12.806 12.806 493 2HB GLU 65 HB1 GLU 65 -15.654 11.644 11.644 494 1HG GLU 65 HG2 GLU 65 -15.089 9.968 9.968 495 2HG GLU 65 HG1 GLU 65 -15.314 11.472 11.472 496 H ASP 66 H ASP 66 -12.652 13.404 13.404 497 HA ASP 66 HA ASP 66 -12.260 14.090 14.090 498 1HB ASP 66 HB2 ASP 66 -11.000 12.666 12.666 499 2HB ASP 66 HB1 ASP 66 -10.594 12.176 12.176 500 H GLY 67 H GLY 67 -12.627 12.915 12.915 501 1HA GLY 67 HA1 GLY 67 -15.580 12.386 12.386 502 2HA GLY 67 HA2 GLY 67 -14.752 13.379 13.379 503 HA PRO 68 HA PRO 68 -14.777 8.795 8.795 504 1HB PRO 68 HB2 PRO 68 -16.755 8.956 8.956 505 2HB PRO 68 HB1 PRO 68 -17.066 8.420 8.420 506 1HG PRO 68 HG2 PRO 68 -17.762 10.950 10.950 507 2HG PRO 68 HG1 PRO 68 -18.409 10.230 10.230 508 1HD PRO 68 HD2 PRO 68 -16.562 12.406 12.406 509 2HD PRO 68 HD1 PRO 68 -17.138 11.605 11.605 510 H ASN 69 H ASN 69 -13.068 8.354 8.354 511 HA ASN 69 HA ASN 69 -11.483 8.554 8.554 512 1HB ASN 69 HB2 ASN 69 -14.056 9.202 9.202 513 2HB ASN 69 HB1 ASN 69 -12.516 9.461 9.461 514 1HD2 ASN 69 HD2 ASN 69 -14.061 5.941 5.941 515 2HD2 ASN 69 HD2 ASN 69 -14.778 7.556 7.556 516 H GLY 70 H GLY 70 -10.959 10.474 10.474 517 1HA GLY 70 HA1 GLY 70 -9.688 12.458 12.458 518 2HA GLY 70 HA2 GLY 70 -10.386 12.814 12.814 519 H PHE 71 H PHE 71 -11.927 14.392 14.392 520 HA PHE 71 HA PHE 71 -14.127 14.737 14.737 521 1HB PHE 71 HB2 PHE 71 -11.729 15.367 15.367 522 2HB PHE 71 HB1 PHE 71 -12.457 16.905 16.905 523 HD1 PHE 71 HD2 PHE 71 -15.419 15.885 15.885 524 HD2 PHE 71 HD1 PHE 71 -12.096 15.566 15.566 525 HE1 PHE 71 HE2 PHE 71 -17.005 15.708 15.708 526 HE2 PHE 71 HE1 PHE 71 -13.689 15.390 15.390 527 HZ PHE 71 HZ PHE 71 -16.144 15.461 15.461 Start of MODEL 6 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.810 0.851 0.851 3 1HB ASP 1 HB2 ASP 1 4.126 -0.295 -0.295 4 2HB ASP 1 HB1 ASP 1 3.865 1.111 1.111 5 H TYR 2 H TYR 2 1.332 -2.287 -2.287 6 HA TYR 2 HA TYR 2 1.095 -3.421 -3.421 7 1HB TYR 2 HB1 TYR 2 2.056 -5.189 -5.189 8 2HB TYR 2 HB2 TYR 2 2.351 -5.315 -5.315 9 HD1 TYR 2 HD1 TYR 2 3.921 -3.538 -3.538 10 HD2 TYR 2 HD2 TYR 2 3.743 -4.270 -4.270 11 HE1 TYR 2 HE1 TYR 2 6.161 -2.509 -2.509 12 HE2 TYR 2 HE2 TYR 2 5.984 -3.240 -3.240 13 HH TYR 2 HH TYR 2 8.180 -2.871 -2.871 14 H LYS 3 H LYS 3 -0.733 -4.627 -4.627 15 HA LYS 3 HA LYS 3 -2.766 -5.511 -5.511 16 1HB LYS 3 HB2 LYS 3 -1.435 -7.007 -7.007 17 2HB LYS 3 HB1 LYS 3 -1.954 -5.984 -5.984 18 1HG LYS 3 HG2 LYS 3 -3.679 -7.494 -7.494 19 2HG LYS 3 HG1 LYS 3 -4.358 -6.453 -6.453 20 1HD LYS 3 HD2 LYS 3 -3.266 -7.954 -7.954 21 2HD LYS 3 HD1 LYS 3 -2.759 -9.021 -9.021 22 1HE LYS 3 HE2 LYS 3 -5.653 -8.292 -8.292 23 2HE LYS 3 HE1 LYS 3 -5.093 -9.310 -9.310 24 1HZ LYS 3 HZ1 LYS 3 -4.715 -9.874 -9.874 25 2HZ LYS 3 HZ3 LYS 3 -5.828 -10.605 -10.605 26 3HZ LYS 3 HZ2 LYS 3 -4.202 -10.841 -10.841 27 H ASP 4 H ASP 4 -4.818 -4.674 -4.674 28 HA ASP 4 HA ASP 4 -5.557 -3.037 -3.037 29 1HB ASP 4 HB2 ASP 4 -5.504 -0.843 -0.843 30 2HB ASP 4 HB1 ASP 4 -3.875 -1.499 -1.499 31 H ASP 5 H ASP 5 -7.441 -1.340 -1.340 32 HA ASP 5 HA ASP 5 -9.006 -3.099 -3.099 33 1HB ASP 5 HB2 ASP 5 -9.741 -1.857 -1.857 34 2HB ASP 5 HB1 ASP 5 -10.971 -1.923 -1.923 35 H ASP 6 H ASP 6 -10.483 -1.973 -1.973 36 HA ASP 6 HA ASP 6 -11.317 -0.150 -0.150 37 1HB ASP 6 HB2 ASP 6 -9.645 1.744 1.744 38 2HB ASP 6 HB1 ASP 6 -11.197 2.033 2.033 39 H ASP 7 H ASP 7 -10.142 -0.816 -0.816 40 HA ASP 7 HA ASP 7 -8.754 -0.219 -0.219 41 1HB ASP 7 HB2 ASP 7 -8.503 2.022 2.022 42 2HB ASP 7 HB1 ASP 7 -6.886 1.336 1.336 43 H LYS 8 H LYS 8 -6.145 -0.294 -0.294 44 HA LYS 8 HA LYS 8 -4.273 -1.531 -1.531 45 1HB LYS 8 HB2 LYS 8 -3.658 -0.903 -0.903 46 2HB LYS 8 HB1 LYS 8 -5.144 -1.524 -1.524 47 1HG LYS 8 HG2 LYS 8 -4.320 -3.704 -3.704 48 2HG LYS 8 HG1 LYS 8 -3.219 -3.474 -3.474 49 1HD LYS 8 HD2 LYS 8 -2.624 -1.714 -1.714 50 2HD LYS 8 HD1 LYS 8 -2.517 -3.439 -3.439 51 1HE LYS 8 HE2 LYS 8 -0.345 -2.482 -2.482 52 2HE LYS 8 HE1 LYS 8 -0.937 -3.801 -3.801 53 1HZ LYS 8 HZ1 LYS 8 -1.271 -0.912 -0.912 54 2HZ LYS 8 HZ3 LYS 8 -0.183 -1.930 -1.930 55 3HZ LYS 8 HZ2 LYS 8 -1.815 -2.140 -2.140 56 H LEU 9 H LEU 9 -6.602 -3.388 -3.388 57 HA LEU 9 HA LEU 9 -5.925 -5.820 -5.820 58 1HB LEU 9 HB2 LEU 9 -8.200 -5.446 -5.446 59 2HB LEU 9 HB1 LEU 9 -7.317 -6.932 -6.932 60 HG LEU 9 HG LEU 9 -6.260 -4.538 -4.538 61 1HD1 LEU 9 HD1 LEU 9 -7.021 -7.303 -7.303 62 2HD1 LEU 9 HD1 LEU 9 -6.202 -6.040 -6.040 63 3HD1 LEU 9 HD1 LEU 9 -7.847 -5.771 -5.771 64 1HD2 LEU 9 HD2 LEU 9 -4.470 -5.630 -5.630 65 2HD2 LEU 9 HD2 LEU 9 -4.256 -5.950 -5.950 66 3HD2 LEU 9 HD2 LEU 9 -4.911 -7.209 -7.209 67 H LYS 10 H LYS 10 -8.797 -6.835 -6.835 68 HA LYS 10 HA LYS 10 -10.569 -7.052 -7.052 69 1HB LYS 10 HB2 LYS 10 -10.420 -4.340 -4.340 70 2HB LYS 10 HB1 LYS 10 -10.544 -4.421 -4.421 71 1HG LYS 10 HG2 LYS 10 -12.373 -6.333 -6.333 72 2HG LYS 10 HG1 LYS 10 -12.603 -4.789 -4.789 73 1HD LYS 10 HD2 LYS 10 -13.114 -3.645 -3.645 74 2HD LYS 10 HD1 LYS 10 -12.439 -4.946 -4.946 75 1HE LYS 10 HE2 LYS 10 -14.769 -5.269 -5.269 76 2HE LYS 10 HE1 LYS 10 -14.319 -6.418 -6.418 77 1HZ LYS 10 HZ1 LYS 10 -15.394 -3.697 -3.697 78 2HZ LYS 10 HZ3 LYS 10 -16.242 -5.127 -5.127 79 3HZ LYS 10 HZ2 LYS 10 -14.991 -4.772 -4.772 80 HA PRO 11 HA PRO 11 -8.739 -8.372 -8.372 81 1HB PRO 11 HB2 PRO 11 -11.107 -8.797 -8.797 82 2HB PRO 11 HB1 PRO 11 -10.443 -9.953 -9.953 83 1HG PRO 11 HG2 PRO 11 -12.778 -8.177 -8.177 84 2HG PRO 11 HG1 PRO 11 -12.345 -9.610 -9.610 85 1HD PRO 11 HD2 PRO 11 -12.117 -6.866 -6.866 86 2HD PRO 11 HD1 PRO 11 -11.592 -8.304 -8.304 87 H ASP 12 H ASP 12 -7.580 -6.866 -6.866 88 HA ASP 12 HA ASP 12 -8.636 -4.373 -4.373 89 1HB ASP 12 HB2 ASP 12 -6.192 -5.098 -5.098 90 2HB ASP 12 HB1 ASP 12 -6.307 -5.859 -5.859 91 H PHE 13 H PHE 13 -8.477 -7.616 -7.616 92 HA PHE 13 HA PHE 13 -8.840 -7.008 -7.008 93 1HB PHE 13 HB2 PHE 13 -9.539 -9.230 -9.230 94 2HB PHE 13 HB1 PHE 13 -8.391 -9.244 -9.244 95 HD1 PHE 13 HD1 PHE 13 -12.128 -8.958 -8.958 96 HD2 PHE 13 HD2 PHE 13 -8.911 -10.370 -10.370 97 HE1 PHE 13 HE1 PHE 13 -13.777 -10.075 -10.075 98 HE2 PHE 13 HE2 PHE 13 -10.568 -11.484 -11.484 99 HZ PHE 13 HZ PHE 13 -13.002 -11.339 -11.339 100 H CYS 14 H CYS 14 -11.058 -6.833 -6.833 101 HA CYS 14 HA CYS 14 -13.464 -6.807 -6.807 102 1HB CYS 14 HB2 CYS 14 -12.683 -5.919 -5.919 103 2HB CYS 14 HB1 CYS 14 -14.283 -5.504 -5.504 104 HG CYS 14 HG CYS 14 -13.026 -8.634 -8.634 105 H PHE 15 H PHE 15 -11.130 -4.284 -4.284 106 HA PHE 15 HA PHE 15 -12.787 -2.087 -2.087 107 1HB PHE 15 HB2 PHE 15 -9.908 -1.811 -1.811 108 2HB PHE 15 HB1 PHE 15 -11.237 -0.680 -0.680 109 HD1 PHE 15 HD1 PHE 15 -13.299 -1.992 -1.992 110 HD2 PHE 15 HD2 PHE 15 -9.007 -2.352 -2.352 111 HE1 PHE 15 HE1 PHE 15 -13.565 -2.632 -2.632 112 HE2 PHE 15 HE2 PHE 15 -9.283 -2.992 -2.992 113 HZ PHE 15 HZ PHE 15 -11.560 -3.134 -3.134 114 H LEU 16 H LEU 16 -11.204 -4.589 -4.589 115 HA LEU 16 HA LEU 16 -9.674 -3.010 -3.010 116 1HB LEU 16 HB2 LEU 16 -9.539 -5.581 -5.581 117 2HB LEU 16 HB1 LEU 16 -10.097 -5.791 -5.791 118 HG LEU 16 HG LEU 16 -8.123 -4.117 -4.117 119 1HD1 LEU 16 HD1 LEU 16 -7.203 -5.468 -5.468 120 2HD1 LEU 16 HD1 LEU 16 -6.149 -4.557 -4.557 121 3HD1 LEU 16 HD1 LEU 16 -7.464 -3.731 -3.731 122 1HD2 LEU 16 HD2 LEU 16 -8.301 -6.359 -6.359 123 2HD2 LEU 16 HD2 LEU 16 -6.623 -6.062 -6.062 124 3HD2 LEU 16 HD2 LEU 16 -7.697 -7.093 -7.093 125 H GLU 17 H GLU 17 -10.385 -2.296 -2.296 126 HA GLU 17 HA GLU 17 -13.041 -2.068 -2.068 127 1HB GLU 17 HB2 GLU 17 -12.126 -2.085 -2.085 128 2HB GLU 17 HB1 GLU 17 -11.752 -0.762 -0.762 129 1HG GLU 17 HG2 GLU 17 -9.553 -1.502 -1.502 130 2HG GLU 17 HG1 GLU 17 -9.942 -3.175 -3.175 131 H GLU 18 H GLU 18 -14.444 -3.114 -3.114 132 HA GLU 18 HA GLU 18 -14.444 -5.956 -5.956 133 1HB GLU 18 HB2 GLU 18 -16.532 -5.955 -5.955 134 2HB GLU 18 HB1 GLU 18 -16.434 -4.279 -4.279 135 1HG GLU 18 HG2 GLU 18 -15.286 -3.981 -3.981 136 2HG GLU 18 HG1 GLU 18 -16.324 -5.379 -5.379 137 H ASP 19 H ASP 19 -14.014 -7.644 -7.644 138 HA ASP 19 HA ASP 19 -12.825 -6.845 -6.845 139 1HB ASP 19 HB2 ASP 19 -11.149 -7.356 -7.356 140 2HB ASP 19 HB1 ASP 19 -11.609 -9.038 -9.038 141 HA PRO 20 HA PRO 20 -15.797 -10.192 -10.192 142 1HB PRO 20 HB2 PRO 20 -16.269 -9.457 -9.457 143 2HB PRO 20 HB1 PRO 20 -17.190 -8.831 -8.831 144 1HG PRO 20 HG2 PRO 20 -15.147 -7.516 -7.516 145 2HG PRO 20 HG1 PRO 20 -16.359 -6.809 -6.809 146 1HD PRO 20 HD2 PRO 20 -13.556 -7.119 -7.119 147 2HD PRO 20 HD1 PRO 20 -14.797 -6.513 -6.513 148 H GLY 21 H GLY 21 -12.749 -9.411 -9.411 149 1HA GLY 21 HA1 GLY 21 -11.112 -10.874 -10.874 150 2HA GLY 21 HA2 GLY 21 -12.252 -12.224 -12.224 151 H ILE 22 H ILE 22 -10.342 -11.253 -11.253 152 HA ILE 22 HA ILE 22 -11.323 -10.123 -10.123 153 HB ILE 22 HB ILE 22 -10.530 -12.385 -12.385 154 1HG1 ILE 22 HG1 ILE 22 -10.253 -13.087 -13.087 155 2HG1 ILE 22 HG1 ILE 22 -9.349 -13.815 -13.815 156 1HG2 ILE 22 HG2 ILE 22 -8.775 -10.235 -10.235 157 2HG2 ILE 22 HG2 ILE 22 -8.259 -11.364 -11.364 158 3HG2 ILE 22 HG2 ILE 22 -9.546 -10.184 -10.184 159 1HD1 ILE 22 HD1 ILE 22 -8.428 -11.441 -11.441 160 2HD1 ILE 22 HD1 ILE 22 -7.837 -13.119 -13.119 161 3HD1 ILE 22 HD1 ILE 22 -7.508 -12.173 -12.173 162 H CYS 23 H CYS 23 -11.872 -13.649 -13.649 163 HA CYS 23 HA CYS 23 -13.950 -13.747 -13.747 164 1HB CYS 23 HB2 CYS 23 -13.646 -15.262 -15.262 165 2HB CYS 23 HB1 CYS 23 -14.927 -15.626 -15.626 166 HG CYS 23 HG CYS 23 -13.298 -16.620 -16.620 167 H ARG 24 H ARG 24 -16.205 -13.424 -13.424 168 HA ARG 24 HA ARG 24 -17.302 -11.917 -11.917 169 1HB ARG 24 HB2 ARG 24 -18.832 -10.857 -10.857 170 2HB ARG 24 HB1 ARG 24 -17.141 -10.318 -10.318 171 1HG ARG 24 HG2 ARG 24 -17.708 -12.686 -12.686 172 2HG ARG 24 HG1 ARG 24 -18.468 -11.172 -11.172 173 1HD ARG 24 HD2 ARG 24 -15.754 -10.594 -10.594 174 2HD ARG 24 HD1 ARG 24 -15.727 -12.015 -12.015 175 HE ARG 24 HE ARG 24 -16.426 -9.258 -9.258 176 1HH1 ARG 24 HH1 ARG 24 -16.838 -12.669 -12.669 177 2HH1 ARG 24 HH1 ARG 24 -17.222 -12.366 -12.366 178 1HH2 ARG 24 HH2 ARG 24 -16.933 -8.830 -8.830 179 2HH2 ARG 24 HH2 ARG 24 -17.276 -10.173 -10.173 180 H GLY 25 H GLY 25 -18.260 -13.727 -13.727 181 1HA GLY 25 HA1 GLY 25 -20.230 -15.257 -15.257 182 2HA GLY 25 HA2 GLY 25 -19.539 -15.768 -15.768 183 H TYR 26 H TYR 26 -19.834 -13.028 -13.028 184 HA TYR 26 HA TYR 26 -21.439 -11.880 -11.880 185 1HB TYR 26 HB1 TYR 26 -23.163 -12.736 -12.736 186 2HB TYR 26 HB2 TYR 26 -23.734 -11.669 -11.669 187 HD1 TYR 26 HD2 TYR 26 -20.386 -10.810 -10.810 188 HD2 TYR 26 HD1 TYR 26 -24.031 -10.467 -10.467 189 HE1 TYR 26 HE2 TYR 26 -19.456 -8.837 -8.837 190 HE2 TYR 26 HE1 TYR 26 -23.100 -8.495 -8.495 191 HH TYR 26 HH TYR 26 -21.178 -6.629 -6.629 192 H ILE 27 H ILE 27 -22.371 -12.465 -12.465 193 HA ILE 27 HA ILE 27 -24.161 -14.757 -14.757 194 HB ILE 27 HB ILE 27 -21.846 -14.886 -14.886 195 1HG1 ILE 27 HG1 ILE 27 -21.904 -16.132 -16.132 196 2HG1 ILE 27 HG1 ILE 27 -20.898 -14.756 -14.756 197 1HG2 ILE 27 HG2 ILE 27 -23.742 -16.983 -16.983 198 2HG2 ILE 27 HG2 ILE 27 -22.394 -17.316 -17.316 199 3HG2 ILE 27 HG2 ILE 27 -23.758 -16.307 -16.307 200 1HD1 ILE 27 HD1 ILE 27 -20.787 -17.571 -17.571 201 2HD1 ILE 27 HD1 ILE 27 -19.615 -16.873 -16.873 202 3HD1 ILE 27 HD1 ILE 27 -19.763 -16.205 -16.205 203 H THR 28 H THR 28 -23.974 -11.745 -11.745 204 HA THR 28 HA THR 28 -24.567 -10.223 -10.223 205 HB THR 28 HB THR 28 -26.612 -12.482 -12.482 206 HG1 THR 28 HG1 THR 28 -26.350 -9.975 -9.975 207 1HG2 THR 28 HG2 THR 28 -26.334 -9.760 -9.760 208 2HG2 THR 28 HG2 THR 28 -27.923 -10.196 -10.196 209 3HG2 THR 28 HG2 THR 28 -27.195 -11.199 -11.199 210 H ARG 29 H ARG 29 -22.350 -10.721 -10.721 211 HA ARG 29 HA ARG 29 -22.629 -12.154 -12.154 212 1HB ARG 29 HB2 ARG 29 -20.211 -11.104 -11.104 213 2HB ARG 29 HB1 ARG 29 -20.112 -11.782 -11.782 214 1HG ARG 29 HG2 ARG 29 -21.097 -13.200 -13.200 215 2HG ARG 29 HG1 ARG 29 -19.568 -13.503 -13.503 216 1HD ARG 29 HD2 ARG 29 -20.910 -14.171 -14.171 217 2HD ARG 29 HD1 ARG 29 -22.389 -13.980 -13.980 218 HE ARG 29 HE ARG 29 -20.322 -15.736 -15.736 219 1HH1 ARG 29 HH1 ARG 29 -23.230 -15.480 -15.480 220 2HH1 ARG 29 HH1 ARG 29 -23.702 -17.172 -17.172 221 1HH2 ARG 29 HH2 ARG 29 -20.927 -17.985 -17.985 222 2HH2 ARG 29 HH2 ARG 29 -22.387 -18.603 -18.603 223 H TYR 30 H TYR 30 -21.035 -10.967 -10.967 224 HA TYR 30 HA TYR 30 -21.816 -8.086 -8.086 225 1HB TYR 30 HB1 TYR 30 -21.977 -9.938 -9.938 226 2HB TYR 30 HB2 TYR 30 -22.312 -8.215 -8.215 227 HD1 TYR 30 HD1 TYR 30 -23.474 -11.304 -11.304 228 HD2 TYR 30 HD2 TYR 30 -24.517 -7.489 -7.489 229 HE1 TYR 30 HE1 TYR 30 -25.859 -11.706 -11.706 230 HE2 TYR 30 HE2 TYR 30 -26.903 -7.894 -7.894 231 HH TYR 30 HH TYR 30 -28.441 -10.002 -10.002 232 H PHE 31 H PHE 31 -20.437 -6.641 -6.641 233 HA PHE 31 HA PHE 31 -17.859 -7.729 -7.729 234 1HB PHE 31 HB2 PHE 31 -16.471 -6.814 -6.814 235 2HB PHE 31 HB1 PHE 31 -17.773 -7.456 -7.456 236 HD1 PHE 31 HD2 PHE 31 -19.615 -5.886 -5.886 237 HD2 PHE 31 HD1 PHE 31 -15.933 -4.455 -4.455 238 HE1 PHE 31 HE2 PHE 31 -19.974 -3.660 -3.660 239 HE2 PHE 31 HE1 PHE 31 -16.300 -2.233 -2.233 240 HZ PHE 31 HZ PHE 31 -18.319 -1.832 -1.832 241 H TYR 32 H TYR 32 -16.994 -6.379 -6.379 242 HA TYR 32 HA TYR 32 -18.706 -4.170 -4.170 243 1HB TYR 32 HB1 TYR 32 -17.310 -5.786 -5.786 244 2HB TYR 32 HB2 TYR 32 -15.929 -4.791 -4.791 245 HD1 TYR 32 HD2 TYR 32 -15.682 -2.475 -2.475 246 HD2 TYR 32 HD1 TYR 32 -19.088 -4.881 -4.881 247 HE1 TYR 32 HE2 TYR 32 -16.216 -0.864 -0.864 248 HE2 TYR 32 HE1 TYR 32 -19.620 -3.270 -3.270 249 HH TYR 32 HH TYR 32 -17.466 -0.712 -0.712 250 H ASN 33 H ASN 33 -18.742 -2.307 -2.307 251 HA ASN 33 HA ASN 33 -16.211 -1.395 -1.395 252 1HB ASN 33 HB2 ASN 33 -18.435 -1.500 -1.500 253 2HB ASN 33 HB1 ASN 33 -19.002 -0.191 -0.191 254 1HD2 ASN 33 HD2 ASN 33 -17.722 1.325 1.325 255 2HD2 ASN 33 HD2 ASN 33 -19.003 0.213 0.213 256 H ASN 34 H ASN 34 -14.987 0.112 0.112 257 HA ASN 34 HA ASN 34 -15.838 1.355 1.355 258 1HB ASN 34 HB2 ASN 34 -13.752 2.813 2.813 259 2HB ASN 34 HB1 ASN 34 -13.482 1.068 1.068 260 1HD2 ASN 34 HD2 ASN 34 -11.546 1.276 1.276 261 2HD2 ASN 34 HD2 ASN 34 -11.610 1.035 1.035 262 H GLN 35 H GLN 35 -16.079 2.182 2.182 263 HA GLN 35 HA GLN 35 -16.249 4.947 4.947 264 1HB GLN 35 HB2 GLN 35 -16.614 3.098 3.098 265 2HB GLN 35 HB1 GLN 35 -18.297 3.595 3.595 266 1HG GLN 35 HG2 GLN 35 -16.437 5.873 5.873 267 2HG GLN 35 HG1 GLN 35 -16.393 4.909 4.909 268 1HE2 GLN 35 HE2 GLN 35 -18.962 7.446 7.446 269 2HE2 GLN 35 HE2 GLN 35 -17.208 7.288 7.288 270 H THR 36 H THR 36 -18.696 2.483 2.483 271 HA THR 36 HA THR 36 -20.451 4.701 4.701 272 HB THR 36 HB THR 36 -22.333 3.044 3.044 273 HG1 THR 36 HG1 THR 36 -21.553 1.062 1.062 274 1HG2 THR 36 HG2 THR 36 -20.394 3.621 3.621 275 2HG2 THR 36 HG2 THR 36 -21.638 2.386 2.386 276 3HG2 THR 36 HG2 THR 36 -22.123 4.048 4.048 277 H LYS 37 H LYS 37 -18.199 2.347 2.347 278 HA LYS 37 HA LYS 37 -17.604 1.512 1.512 279 1HB LYS 37 HB2 LYS 37 -19.416 3.713 3.713 280 2HB LYS 37 HB1 LYS 37 -18.448 2.684 2.684 281 1HG LYS 37 HG2 LYS 37 -16.695 4.059 4.059 282 2HG LYS 37 HG1 LYS 37 -16.697 3.548 3.548 283 1HD LYS 37 HD2 LYS 37 -16.884 5.913 5.913 284 2HD LYS 37 HD1 LYS 37 -18.544 5.334 5.334 285 1HE LYS 37 HE2 LYS 37 -19.259 6.301 6.301 286 2HE LYS 37 HE1 LYS 37 -17.857 5.704 5.704 287 1HZ LYS 37 HZ1 LYS 37 -17.884 8.052 8.052 288 2HZ LYS 37 HZ3 LYS 37 -17.900 8.090 8.090 289 3HZ LYS 37 HZ2 LYS 37 -16.571 7.510 7.510 290 H GLN 38 H GLN 38 -19.345 -0.035 -0.035 291 HA GLN 38 HA GLN 38 -20.569 -1.560 -1.560 292 1HB GLN 38 HB2 GLN 38 -22.236 0.433 0.433 293 2HB GLN 38 HB1 GLN 38 -22.651 -0.735 -0.735 294 1HG GLN 38 HG2 GLN 38 -22.677 -2.394 -2.394 295 2HG GLN 38 HG1 GLN 38 -23.061 -0.875 -0.875 296 1HE2 GLN 38 HE2 GLN 38 -26.392 -0.785 -0.785 297 2HE2 GLN 38 HE2 GLN 38 -25.075 -0.202 -0.202 298 H CYS 39 H CYS 39 -22.506 -2.911 -2.911 299 HA CYS 39 HA CYS 39 -20.530 -4.208 -4.208 300 1HB CYS 39 HB2 CYS 39 -23.058 -5.220 -5.220 301 2HB CYS 39 HB1 CYS 39 -22.196 -6.104 -6.104 302 HG CYS 39 HG CYS 39 -19.743 -5.805 -5.805 303 H GLU 40 H GLU 40 -20.803 -4.176 -4.176 304 HA GLU 40 HA GLU 40 -23.377 -3.037 -3.037 305 1HB GLU 40 HB2 GLU 40 -20.622 -2.807 -2.807 306 2HB GLU 40 HB1 GLU 40 -22.128 -2.145 -2.145 307 1HG GLU 40 HG2 GLU 40 -20.928 -1.414 -1.414 308 2HG GLU 40 HG1 GLU 40 -20.750 -0.447 -0.447 309 H ARG 41 H ARG 41 -24.469 -4.082 -4.082 310 HA ARG 41 HA ARG 41 -23.708 -6.856 -6.856 311 1HB ARG 41 HB2 ARG 41 -26.101 -5.326 -5.326 312 2HB ARG 41 HB1 ARG 41 -25.782 -5.930 -5.930 313 1HG ARG 41 HG2 ARG 41 -25.900 -8.180 -8.180 314 2HG ARG 41 HG1 ARG 41 -25.553 -7.786 -7.786 315 1HD ARG 41 HD2 ARG 41 -27.773 -7.692 -7.692 316 2HD ARG 41 HD1 ARG 41 -27.976 -6.430 -6.430 317 HE ARG 41 HE ARG 41 -27.783 -8.728 -8.728 318 1HH1 ARG 41 HH1 ARG 41 -29.759 -7.771 -7.771 319 2HH1 ARG 41 HH1 ARG 41 -31.138 -8.787 -8.787 320 1HH2 ARG 41 HH2 ARG 41 -29.601 -10.085 -10.085 321 2HH2 ARG 41 HH2 ARG 41 -31.048 -10.108 -10.108 322 H PHE 42 H PHE 42 -22.094 -7.369 -7.369 323 HA PHE 42 HA PHE 42 -22.016 -5.943 -5.943 324 1HB PHE 42 HB2 PHE 42 -19.776 -5.601 -5.601 325 2HB PHE 42 HB1 PHE 42 -20.200 -5.412 -5.412 326 HD1 PHE 42 HD2 PHE 42 -20.203 -7.733 -7.733 327 HD2 PHE 42 HD1 PHE 42 -17.910 -6.976 -6.976 328 HE1 PHE 42 HE2 PHE 42 -18.596 -9.518 -9.518 329 HE2 PHE 42 HE1 PHE 42 -16.310 -8.761 -8.761 330 HZ PHE 42 HZ PHE 42 -16.649 -10.034 -10.034 331 H LYS 43 H LYS 43 -21.775 -7.261 -7.261 332 HA LYS 43 HA LYS 43 -22.298 -10.058 -10.058 333 1HB LYS 43 HB2 LYS 43 -21.852 -10.008 -10.008 334 2HB LYS 43 HB1 LYS 43 -23.336 -9.343 -9.343 335 1HG LYS 43 HG2 LYS 43 -21.021 -7.472 -7.472 336 2HG LYS 43 HG1 LYS 43 -21.700 -7.983 -7.983 337 1HD LYS 43 HD2 LYS 43 -23.876 -7.140 -7.140 338 2HD LYS 43 HD1 LYS 43 -23.417 -6.941 -6.941 339 1HE LYS 43 HE2 LYS 43 -22.009 -5.073 -5.073 340 2HE LYS 43 HE1 LYS 43 -22.011 -5.441 -5.441 341 1HZ LYS 43 HZ1 LYS 43 -24.345 -4.563 -4.563 342 2HZ LYS 43 HZ3 LYS 43 -23.456 -3.616 -3.616 343 3HZ LYS 43 HZ2 LYS 43 -24.352 -4.889 -4.889 344 H TYR 44 H TYR 44 -20.913 -11.854 -11.854 345 HA TYR 44 HA TYR 44 -18.051 -11.083 -11.083 346 1HB TYR 44 HB1 TYR 44 -18.799 -12.526 -12.526 347 2HB TYR 44 HB2 TYR 44 -19.573 -13.632 -13.632 348 HD1 TYR 44 HD2 TYR 44 -16.235 -12.286 -12.286 349 HD2 TYR 44 HD1 TYR 44 -18.384 -15.579 -15.579 350 HE1 TYR 44 HE2 TYR 44 -14.185 -13.679 -13.679 351 HE2 TYR 44 HE1 TYR 44 -16.334 -16.970 -16.970 352 HH TYR 44 HH TYR 44 -13.733 -16.429 -16.429 353 H GLY 45 H GLY 45 -16.756 -11.213 -11.213 354 1HA GLY 45 HA1 GLY 45 -17.732 -12.144 -12.144 355 2HA GLY 45 HA2 GLY 45 -16.051 -11.732 -11.732 356 H GLY 46 H GLY 46 -15.183 -13.502 -13.502 357 1HA GLY 46 HA1 GLY 46 -15.595 -16.000 -16.000 358 2HA GLY 46 HA2 GLY 46 -15.599 -16.151 -16.151 359 H CYS 47 H CYS 47 -13.660 -16.525 -16.525 360 HA CYS 47 HA CYS 47 -11.413 -17.368 -17.368 361 1HB CYS 47 HB2 CYS 47 -11.749 -14.934 -14.934 362 2HB CYS 47 HB1 CYS 47 -10.114 -15.505 -15.505 363 HG CYS 47 HG CYS 47 -10.216 -17.827 -17.827 364 H LEU 48 H LEU 48 -10.293 -17.314 -17.314 365 HA LEU 48 HA LEU 48 -9.610 -16.485 -16.485 366 1HB LEU 48 HB2 LEU 48 -7.774 -16.194 -16.194 367 2HB LEU 48 HB1 LEU 48 -8.310 -14.529 -14.529 368 HG LEU 48 HG LEU 48 -7.392 -13.749 -13.749 369 1HD1 LEU 48 HD1 LEU 48 -7.995 -16.377 -16.377 370 2HD1 LEU 48 HD1 LEU 48 -7.282 -14.934 -14.934 371 3HD1 LEU 48 HD1 LEU 48 -8.926 -14.870 -14.870 372 1HD2 LEU 48 HD2 LEU 48 -5.506 -14.892 -14.892 373 2HD2 LEU 48 HD2 LEU 48 -5.311 -14.937 -14.937 374 3HD2 LEU 48 HD2 LEU 48 -5.859 -16.381 -16.381 375 H GLY 49 H GLY 49 -9.065 -13.192 -13.192 376 1HA GLY 49 HA1 GLY 49 -10.756 -11.404 -11.404 377 2HA GLY 49 HA2 GLY 49 -11.683 -12.396 -12.396 378 H ASN 50 H ASN 50 -11.373 -12.021 -12.021 379 HA ASN 50 HA ASN 50 -8.761 -11.233 -11.233 380 1HB ASN 50 HB2 ASN 50 -9.353 -9.079 -9.079 381 2HB ASN 50 HB1 ASN 50 -9.872 -9.057 -9.057 382 1HD2 ASN 50 HD2 ASN 50 -12.520 -7.723 -7.723 383 2HD2 ASN 50 HD2 ASN 50 -10.790 -7.429 -7.429 384 H MET 51 H MET 51 -9.884 -10.037 -10.037 385 HA MET 51 HA MET 51 -10.877 -12.541 -12.541 386 1HB MET 51 HB2 MET 51 -9.448 -10.087 -10.087 387 2HB MET 51 HB1 MET 51 -10.647 -10.720 -10.720 388 1HG MET 51 HG2 MET 51 -9.080 -12.906 -12.906 389 2HG MET 51 HG1 MET 51 -7.992 -11.657 -11.657 390 1HE MET 51 HE1 MET 51 -10.442 -14.536 -14.536 391 2HE MET 51 HE3 MET 51 -11.108 -14.175 -14.175 392 3HE MET 51 HE2 MET 51 -11.582 -13.194 -13.194 393 H ASN 52 H ASN 52 -11.615 -9.039 -9.039 394 HA ASN 52 HA ASN 52 -14.131 -9.331 -9.331 395 1HB ASN 52 HB2 ASN 52 -12.703 -7.176 -7.176 396 2HB ASN 52 HB1 ASN 52 -13.720 -7.207 -7.207 397 1HD2 ASN 52 HD2 ASN 52 -15.594 -4.996 -4.996 398 2HD2 ASN 52 HD2 ASN 52 -14.217 -5.050 -5.050 399 H ASN 53 H ASN 53 -15.253 -11.126 -11.126 400 HA ASN 53 HA ASN 53 -16.954 -10.411 -10.411 401 1HB ASN 53 HB2 ASN 53 -14.915 -11.215 -11.215 402 2HB ASN 53 HB1 ASN 53 -15.007 -12.743 -12.743 403 1HD2 ASN 53 HD2 ASN 53 -16.962 -12.312 -12.312 404 2HD2 ASN 53 HD2 ASN 53 -15.583 -11.375 -11.375 405 H PHE 54 H PHE 54 -18.214 -10.745 -10.745 406 HA PHE 54 HA PHE 54 -18.526 -13.521 -13.521 407 1HB PHE 54 HB2 PHE 54 -20.197 -11.063 -11.063 408 2HB PHE 54 HB1 PHE 54 -20.155 -12.567 -12.567 409 HD1 PHE 54 HD1 PHE 54 -18.263 -9.447 -9.447 410 HD2 PHE 54 HD2 PHE 54 -18.377 -13.098 -13.098 411 HE1 PHE 54 HE1 PHE 54 -16.474 -8.568 -8.568 412 HE2 PHE 54 HE2 PHE 54 -16.587 -12.211 -12.211 413 HZ PHE 54 HZ PHE 54 -15.634 -9.946 -9.946 414 H GLU 55 H GLU 55 -21.141 -13.964 -13.964 415 HA GLU 55 HA GLU 55 -22.210 -13.844 -13.844 416 1HB GLU 55 HB2 GLU 55 -22.693 -16.024 -16.024 417 2HB GLU 55 HB1 GLU 55 -23.310 -15.991 -15.991 418 1HG GLU 55 HG2 GLU 55 -20.721 -15.732 -15.732 419 2HG GLU 55 HG1 GLU 55 -20.511 -16.469 -16.469 420 H THR 56 H THR 56 -22.875 -13.673 -13.673 421 HA THR 56 HA THR 56 -25.539 -12.489 -12.489 422 HB THR 56 HB THR 56 -25.830 -13.319 -13.319 423 HG1 THR 56 HG1 THR 56 -24.532 -15.058 -15.058 424 1HG2 THR 56 HG2 THR 56 -26.164 -14.717 -14.717 425 2HG2 THR 56 HG2 THR 56 -26.288 -15.708 -15.708 426 3HG2 THR 56 HG2 THR 56 -27.411 -14.355 -14.355 427 H LEU 57 H LEU 57 -26.142 -10.558 -10.558 428 HA LEU 57 HA LEU 57 -24.031 -8.778 -8.778 429 1HB LEU 57 HB2 LEU 57 -26.321 -8.237 -8.237 430 2HB LEU 57 HB1 LEU 57 -26.887 -8.536 -8.536 431 HG LEU 57 HG LEU 57 -25.106 -6.767 -6.767 432 1HD1 LEU 57 HD1 LEU 57 -25.550 -6.060 -6.060 433 2HD1 LEU 57 HD1 LEU 57 -24.770 -5.001 -5.001 434 3HD1 LEU 57 HD1 LEU 57 -24.021 -6.547 -6.547 435 1HD2 LEU 57 HD2 LEU 57 -27.515 -6.435 -6.435 436 2HD2 LEU 57 HD2 LEU 57 -26.772 -4.929 -4.929 437 3HD2 LEU 57 HD2 LEU 57 -27.710 -5.965 -5.965 438 H GLU 58 H GLU 58 -26.256 -10.544 -10.544 439 HA GLU 58 HA GLU 58 -25.204 -9.506 -9.506 440 1HB GLU 58 HB2 GLU 58 -27.237 -11.174 -11.174 441 2HB GLU 58 HB1 GLU 58 -26.040 -12.378 -12.378 442 1HG GLU 58 HG2 GLU 58 -25.688 -10.968 -10.968 443 2HG GLU 58 HG1 GLU 58 -27.065 -9.975 -9.975 444 H GLU 59 H GLU 59 -24.087 -12.154 -12.154 445 HA GLU 59 HA GLU 59 -22.153 -13.190 -13.190 446 1HB GLU 59 HB2 GLU 59 -22.500 -14.696 -14.696 447 2HB GLU 59 HB1 GLU 59 -22.719 -13.434 -13.434 448 1HG GLU 59 HG2 GLU 59 -20.634 -14.702 -14.702 449 2HG GLU 59 HG1 GLU 59 -20.277 -13.011 -13.011 450 H CYS 60 H CYS 60 -21.899 -10.853 -10.853 451 HA CYS 60 HA CYS 60 -19.155 -10.342 -10.342 452 1HB CYS 60 HB2 CYS 60 -20.178 -9.608 -9.608 453 2HB CYS 60 HB1 CYS 60 -21.455 -8.746 -8.746 454 HG CYS 60 HG CYS 60 -18.341 -7.690 -7.690 455 H LYS 61 H LYS 61 -21.973 -9.171 -9.171 456 HA LYS 61 HA LYS 61 -20.428 -7.111 -7.111 457 1HB LYS 61 HB2 LYS 61 -23.254 -8.127 -8.127 458 2HB LYS 61 HB1 LYS 61 -22.570 -6.965 -6.965 459 1HG LYS 61 HG2 LYS 61 -21.900 -5.590 -5.590 460 2HG LYS 61 HG1 LYS 61 -23.013 -6.649 -6.649 461 1HD LYS 61 HD2 LYS 61 -24.835 -5.988 -5.988 462 2HD LYS 61 HD1 LYS 61 -23.702 -4.886 -4.886 463 1HE LYS 61 HE2 LYS 61 -24.164 -3.291 -3.291 464 2HE LYS 61 HE1 LYS 61 -23.620 -4.370 -4.370 465 1HZ LYS 61 HZ1 LYS 61 -26.325 -4.320 -4.320 466 2HZ LYS 61 HZ3 LYS 61 -25.889 -3.682 -3.682 467 3HZ LYS 61 HZ2 LYS 61 -25.829 -5.323 -5.323 468 H ASN 62 H ASN 62 -21.553 -10.448 -10.448 469 HA ASN 62 HA ASN 62 -20.979 -10.632 -10.632 470 1HB ASN 62 HB2 ASN 62 -21.823 -12.388 -12.388 471 2HB ASN 62 HB1 ASN 62 -20.158 -12.948 -12.948 472 1HD2 ASN 62 HD2 ASN 62 -23.038 -14.169 -14.169 473 2HD2 ASN 62 HD2 ASN 62 -23.183 -13.599 -13.599 474 H ILE 63 H ILE 63 -18.841 -11.208 -11.208 475 HA ILE 63 HA ILE 63 -16.560 -11.673 -11.673 476 HB ILE 63 HB ILE 63 -17.249 -11.892 -11.892 477 1HG1 ILE 63 HG1 ILE 63 -14.879 -13.355 -13.355 478 2HG1 ILE 63 HG1 ILE 63 -15.905 -13.358 -13.358 479 1HG2 ILE 63 HG2 ILE 63 -14.464 -10.830 -10.830 480 2HG2 ILE 63 HG2 ILE 63 -14.967 -11.543 -11.543 481 3HG2 ILE 63 HG2 ILE 63 -15.711 -10.038 -10.038 482 1HD1 ILE 63 HD1 ILE 63 -16.787 -14.166 -14.166 483 2HD1 ILE 63 HD1 ILE 63 -16.419 -15.281 -15.281 484 3HD1 ILE 63 HD1 ILE 63 -17.815 -14.189 -14.189 485 H CYS 64 H CYS 64 -17.566 -9.057 -9.057 486 HA CYS 64 HA CYS 64 -15.396 -7.354 -7.354 487 1HB CYS 64 HB2 CYS 64 -17.902 -6.671 -6.671 488 2HB CYS 64 HB1 CYS 64 -16.457 -5.653 -5.653 489 HG CYS 64 HG CYS 64 -17.095 -7.719 -7.719 490 H GLU 65 H GLU 65 -18.727 -6.094 -6.094 491 HA GLU 65 HA GLU 65 -18.680 -4.341 -4.341 492 1HB GLU 65 HB2 GLU 65 -20.799 -6.227 -6.227 493 2HB GLU 65 HB1 GLU 65 -21.074 -5.448 -5.448 494 1HG GLU 65 HG2 GLU 65 -20.175 -3.351 -3.351 495 2HG GLU 65 HG1 GLU 65 -21.137 -4.317 -4.317 496 H ASP 66 H ASP 66 -18.741 -7.887 -7.887 497 HA ASP 66 HA ASP 66 -18.482 -9.150 -9.150 498 1HB ASP 66 HB2 ASP 66 -16.653 -8.582 -8.582 499 2HB ASP 66 HB1 ASP 66 -16.237 -8.022 -8.022 500 H GLY 67 H GLY 67 -20.671 -7.052 -7.052 501 1HA GLY 67 HA1 GLY 67 -21.172 -5.600 -5.600 502 2HA GLY 67 HA2 GLY 67 -22.408 -6.644 -6.644 503 HA PRO 68 HA PRO 68 -22.286 -9.029 -9.029 504 1HB PRO 68 HB2 PRO 68 -23.265 -11.467 -11.467 505 2HB PRO 68 HB1 PRO 68 -24.289 -10.080 -10.080 506 1HG PRO 68 HG2 PRO 68 -23.492 -11.103 -11.103 507 2HG PRO 68 HG1 PRO 68 -24.818 -10.010 -10.010 508 1HD PRO 68 HD2 PRO 68 -22.327 -9.312 -9.312 509 2HD PRO 68 HD1 PRO 68 -23.617 -8.223 -8.223 510 H ASN 69 H ASN 69 -21.207 -10.706 -10.706 511 HA ASN 69 HA ASN 69 -18.543 -11.143 -11.143 512 1HB ASN 69 HB2 ASN 69 -18.657 -13.030 -13.030 513 2HB ASN 69 HB1 ASN 69 -18.923 -11.360 -11.360 514 1HD2 ASN 69 HD2 ASN 69 -21.851 -14.255 -14.255 515 2HD2 ASN 69 HD2 ASN 69 -20.267 -14.509 -14.509 516 H GLY 70 H GLY 70 -18.228 -12.125 -12.125 517 1HA GLY 70 HA1 GLY 70 -18.768 -15.005 -15.005 518 2HA GLY 70 HA2 GLY 70 -19.657 -14.036 -14.036 519 H PHE 71 H PHE 71 -18.386 -12.615 -12.615 520 HA PHE 71 HA PHE 71 -16.586 -12.214 -12.214 521 1HB PHE 71 HB2 PHE 71 -14.613 -13.486 -13.486 522 2HB PHE 71 HB1 PHE 71 -14.519 -11.989 -11.989 523 HD1 PHE 71 HD2 PHE 71 -17.219 -10.801 -10.801 524 HD2 PHE 71 HD1 PHE 71 -13.815 -12.576 -12.576 525 HE1 PHE 71 HE2 PHE 71 -17.722 -9.483 -9.483 526 HE2 PHE 71 HE1 PHE 71 -14.326 -11.256 -11.256 527 HZ PHE 71 HZ PHE 71 -16.278 -9.708 -9.708 Start of MODEL 7 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.514 1.000 1.000 3 1HB ASP 1 HB2 ASP 1 2.806 -2.001 -2.001 4 2HB ASP 1 HB1 ASP 1 3.937 -0.782 -0.782 5 H TYR 2 H TYR 2 0.832 -2.231 -2.231 6 HA TYR 2 HA TYR 2 -0.198 -1.259 -1.259 7 1HB TYR 2 HB1 TYR 2 1.325 -3.473 -3.473 8 2HB TYR 2 HB2 TYR 2 -0.255 -4.173 -4.173 9 HD1 TYR 2 HD1 TYR 2 0.857 -1.605 -1.605 10 HD2 TYR 2 HD2 TYR 2 -0.883 -5.493 -5.493 11 HE1 TYR 2 HE1 TYR 2 0.456 -1.891 -1.891 12 HE2 TYR 2 HE2 TYR 2 -1.283 -5.777 -5.777 13 HH TYR 2 HH TYR 2 -1.589 -3.965 -3.965 14 H LYS 3 H LYS 3 -2.313 -0.748 -0.748 15 HA LYS 3 HA LYS 3 -3.984 -1.174 -1.174 16 1HB LYS 3 HB2 LYS 3 -4.049 0.683 0.683 17 2HB LYS 3 HB1 LYS 3 -5.030 -0.463 -0.463 18 1HG LYS 3 HG2 LYS 3 -5.892 -0.260 -0.260 19 2HG LYS 3 HG1 LYS 3 -5.945 1.306 1.306 20 1HD LYS 3 HD2 LYS 3 -7.732 0.678 0.678 21 2HD LYS 3 HD1 LYS 3 -6.994 -0.885 -0.885 22 1HE LYS 3 HE2 LYS 3 -7.959 -0.561 -0.561 23 2HE LYS 3 HE1 LYS 3 -9.218 -0.608 -0.608 24 1HZ LYS 3 HZ1 LYS 3 -7.084 -2.617 -2.617 25 2HZ LYS 3 HZ3 LYS 3 -8.686 -2.786 -2.786 26 3HZ LYS 3 HZ2 LYS 3 -8.268 -2.678 -2.678 27 H ASP 4 H ASP 4 -3.502 -3.578 -3.578 28 HA ASP 4 HA ASP 4 -5.790 -5.064 -5.064 29 1HB ASP 4 HB2 ASP 4 -4.080 -4.784 -4.784 30 2HB ASP 4 HB1 ASP 4 -3.417 -6.235 -6.235 31 H ASP 5 H ASP 5 -5.969 -6.726 -6.726 32 HA ASP 5 HA ASP 5 -3.672 -7.249 -7.249 33 1HB ASP 5 HB2 ASP 5 -5.215 -8.518 -8.518 34 2HB ASP 5 HB1 ASP 5 -6.012 -7.004 -7.004 35 H ASP 6 H ASP 6 -5.524 -8.795 -8.795 36 HA ASP 6 HA ASP 6 -4.176 -11.377 -11.377 37 1HB ASP 6 HB2 ASP 6 -6.402 -11.520 -11.520 38 2HB ASP 6 HB1 ASP 6 -6.129 -10.236 -10.236 39 H ASP 7 H ASP 7 -1.966 -11.088 -11.088 40 HA ASP 7 HA ASP 7 -1.225 -10.094 -10.094 41 1HB ASP 7 HB2 ASP 7 1.095 -10.030 -10.030 42 2HB ASP 7 HB1 ASP 7 0.006 -8.639 -8.639 43 H LYS 8 H LYS 8 0.415 -11.972 -11.972 44 HA LYS 8 HA LYS 8 1.856 -13.735 -13.735 45 1HB LYS 8 HB2 LYS 8 0.380 -15.785 -15.785 46 2HB LYS 8 HB1 LYS 8 0.147 -15.019 -15.019 47 1HG LYS 8 HG2 LYS 8 -1.356 -14.015 -14.015 48 2HG LYS 8 HG1 LYS 8 -1.925 -15.459 -15.459 49 1HD LYS 8 HD2 LYS 8 -1.238 -13.102 -13.102 50 2HD LYS 8 HD1 LYS 8 -2.649 -12.902 -12.902 51 1HE LYS 8 HE2 LYS 8 -3.231 -15.340 -15.340 52 2HE LYS 8 HE1 LYS 8 -2.221 -14.761 -14.761 53 1HZ LYS 8 HZ1 LYS 8 -4.579 -13.372 -13.372 54 2HZ LYS 8 HZ3 LYS 8 -4.529 -14.229 -14.229 55 3HZ LYS 8 HZ2 LYS 8 -3.649 -12.830 -12.830 56 H LEU 9 H LEU 9 0.002 -15.052 -15.052 57 HA LEU 9 HA LEU 9 1.188 -13.906 -13.906 58 1HB LEU 9 HB2 LEU 9 2.978 -15.679 -15.679 59 2HB LEU 9 HB1 LEU 9 3.343 -14.266 -14.266 60 HG LEU 9 HG LEU 9 3.346 -15.527 -15.527 61 1HD1 LEU 9 HD1 LEU 9 2.162 -17.857 -17.857 62 2HD1 LEU 9 HD1 LEU 9 2.688 -17.925 -17.925 63 3HD1 LEU 9 HD1 LEU 9 1.342 -16.871 -16.871 64 1HD2 LEU 9 HD2 LEU 9 5.396 -15.838 -15.838 65 2HD2 LEU 9 HD2 LEU 9 5.022 -17.331 -17.331 66 3HD2 LEU 9 HD2 LEU 9 4.685 -17.232 -17.232 67 H LYS 10 H LYS 10 0.922 -15.241 -15.241 68 HA LYS 10 HA LYS 10 -0.129 -17.855 -17.855 69 1HB LYS 10 HB2 LYS 10 -2.005 -15.971 -15.971 70 2HB LYS 10 HB1 LYS 10 -2.478 -16.353 -16.353 71 1HG LYS 10 HG2 LYS 10 -1.865 -18.850 -18.850 72 2HG LYS 10 HG1 LYS 10 -2.520 -18.038 -18.038 73 1HD LYS 10 HD2 LYS 10 -4.133 -17.473 -17.473 74 2HD LYS 10 HD1 LYS 10 -3.968 -19.222 -19.222 75 1HE LYS 10 HE2 LYS 10 -5.398 -19.155 -19.155 76 2HE LYS 10 HE1 LYS 10 -4.461 -17.862 -17.862 77 1HZ LYS 10 HZ1 LYS 10 -6.479 -17.500 -17.500 78 2HZ LYS 10 HZ3 LYS 10 -6.694 -17.178 -17.178 79 3HZ LYS 10 HZ2 LYS 10 -5.618 -16.282 -16.282 80 HA PRO 11 HA PRO 11 0.648 -17.397 -17.397 81 1HB PRO 11 HB2 PRO 11 -1.206 -19.225 -19.225 82 2HB PRO 11 HB1 PRO 11 0.340 -19.693 -19.693 83 1HG PRO 11 HG2 PRO 11 -2.399 -19.970 -19.970 84 2HG PRO 11 HG1 PRO 11 -0.905 -20.786 -20.786 85 1HD PRO 11 HD2 PRO 11 -2.257 -18.654 -18.654 86 2HD PRO 11 HD1 PRO 11 -0.710 -19.409 -19.409 87 H ASP 12 H ASP 12 0.201 -15.389 -15.389 88 HA ASP 12 HA ASP 12 -2.411 -14.272 -14.272 89 1HB ASP 12 HB2 ASP 12 -1.431 -12.507 -12.507 90 2HB ASP 12 HB1 ASP 12 -0.116 -13.123 -13.123 91 H PHE 13 H PHE 13 -0.546 -16.365 -16.365 92 HA PHE 13 HA PHE 13 -1.916 -15.970 -15.970 93 1HB PHE 13 HB2 PHE 13 -1.035 -18.047 -18.047 94 2HB PHE 13 HB1 PHE 13 0.143 -17.360 -17.360 95 HD1 PHE 13 HD1 PHE 13 -2.867 -19.659 -19.659 96 HD2 PHE 13 HD2 PHE 13 1.053 -18.697 -18.697 97 HE1 PHE 13 HE1 PHE 13 -2.919 -21.703 -21.703 98 HE2 PHE 13 HE2 PHE 13 0.993 -20.744 -20.744 99 HZ PHE 13 HZ PHE 13 -0.991 -22.250 -22.250 100 H CYS 14 H CYS 14 -2.887 -17.611 -17.611 101 HA CYS 14 HA CYS 14 -5.015 -19.116 -19.116 102 1HB CYS 14 HB2 CYS 14 -4.403 -18.111 -18.111 103 2HB CYS 14 HB1 CYS 14 -5.913 -18.974 -18.974 104 HG CYS 14 HG CYS 14 -4.320 -20.957 -20.957 105 H PHE 15 H PHE 15 -4.747 -15.767 -15.767 106 HA PHE 15 HA PHE 15 -7.642 -15.236 -15.236 107 1HB PHE 15 HB2 PHE 15 -5.475 -13.200 -13.200 108 2HB PHE 15 HB1 PHE 15 -7.170 -13.143 -13.143 109 HD1 PHE 15 HD1 PHE 15 -7.817 -15.462 -15.462 110 HD2 PHE 15 HD2 PHE 15 -4.072 -13.300 -13.300 111 HE1 PHE 15 HE1 PHE 15 -7.277 -16.295 -16.295 112 HE2 PHE 15 HE2 PHE 15 -3.541 -14.139 -14.139 113 HZ PHE 15 HZ PHE 15 -5.141 -15.636 -15.636 114 H LEU 16 H LEU 16 -5.285 -15.869 -15.869 115 HA LEU 16 HA LEU 16 -5.584 -13.514 -13.514 116 1HB LEU 16 HB2 LEU 16 -3.586 -15.119 -15.119 117 2HB LEU 16 HB1 LEU 16 -4.459 -16.123 -16.123 118 HG LEU 16 HG LEU 16 -2.607 -14.327 -14.327 119 1HD1 LEU 16 HD1 LEU 16 -5.103 -14.928 -14.928 120 2HD1 LEU 16 HD1 LEU 16 -3.580 -14.265 -14.265 121 3HD1 LEU 16 HD1 LEU 16 -3.612 -15.889 -15.889 122 1HD2 LEU 16 HD2 LEU 16 -3.806 -12.387 -12.387 123 2HD2 LEU 16 HD2 LEU 16 -3.681 -12.248 -12.248 124 3HD2 LEU 16 HD2 LEU 16 -5.212 -12.742 -12.742 125 H GLU 17 H GLU 17 -7.160 -13.135 -13.135 126 HA GLU 17 HA GLU 17 -9.487 -14.548 -14.548 127 1HB GLU 17 HB2 GLU 17 -9.497 -13.642 -13.642 128 2HB GLU 17 HB1 GLU 17 -9.669 -12.555 -12.555 129 1HG GLU 17 HG2 GLU 17 -7.464 -11.771 -11.771 130 2HG GLU 17 HG1 GLU 17 -6.916 -13.223 -13.223 131 H GLU 18 H GLU 18 -10.357 -16.288 -16.288 132 HA GLU 18 HA GLU 18 -8.506 -18.323 -18.323 133 1HB GLU 18 HB2 GLU 18 -10.345 -19.697 -19.697 134 2HB GLU 18 HB1 GLU 18 -11.021 -18.461 -18.461 135 1HG GLU 18 HG2 GLU 18 -11.538 -17.287 -17.287 136 2HG GLU 18 HG1 GLU 18 -11.537 -18.983 -18.983 137 H ASP 19 H ASP 19 -7.915 -19.172 -19.172 138 HA ASP 19 HA ASP 19 -8.795 -17.649 -17.649 139 1HB ASP 19 HB2 ASP 19 -6.533 -16.834 -16.834 140 2HB ASP 19 HB1 ASP 19 -5.888 -18.310 -18.310 141 HA PRO 20 HA PRO 20 -8.656 -22.011 -22.011 142 1HB PRO 20 HB2 PRO 20 -10.655 -21.782 -21.782 143 2HB PRO 20 HB1 PRO 20 -10.984 -22.091 -22.091 144 1HG PRO 20 HG2 PRO 20 -11.362 -19.640 -19.640 145 2HG PRO 20 HG1 PRO 20 -12.056 -20.101 -20.101 146 1HD PRO 20 HD2 PRO 20 -9.931 -18.245 -18.245 147 2HD PRO 20 HD1 PRO 20 -10.565 -18.797 -18.797 148 H GLY 21 H GLY 21 -7.851 -19.198 -19.198 149 1HA GLY 21 HA1 GLY 21 -6.244 -18.958 -18.958 150 2HA GLY 21 HA2 GLY 21 -6.071 -20.722 -20.722 151 H ILE 22 H ILE 22 -5.988 -19.738 -19.738 152 HA ILE 22 HA ILE 22 -8.702 -19.412 -19.412 153 HB ILE 22 HB ILE 22 -6.426 -19.544 -19.544 154 1HG1 ILE 22 HG1 ILE 22 -6.540 -17.611 -17.611 155 2HG1 ILE 22 HG1 ILE 22 -5.139 -18.418 -18.418 156 1HG2 ILE 22 HG2 ILE 22 -8.714 -17.572 -17.572 157 2HG2 ILE 22 HG2 ILE 22 -7.517 -17.508 -17.508 158 3HG2 ILE 22 HG2 ILE 22 -8.630 -18.884 -18.884 159 1HD1 ILE 22 HD1 ILE 22 -6.772 -16.163 -16.163 160 2HD1 ILE 22 HD1 ILE 22 -5.160 -15.998 -15.998 161 3HD1 ILE 22 HD1 ILE 22 -5.361 -16.952 -16.952 162 H CYS 23 H CYS 23 -5.972 -21.724 -21.724 163 HA CYS 23 HA CYS 23 -7.055 -23.469 -23.469 164 1HB CYS 23 HB2 CYS 23 -4.900 -23.992 -23.992 165 2HB CYS 23 HB1 CYS 23 -4.922 -23.536 -23.536 166 HG CYS 23 HG CYS 23 -4.879 -26.014 -26.014 167 H ARG 24 H ARG 24 -9.172 -24.096 -24.096 168 HA ARG 24 HA ARG 24 -10.602 -24.486 -24.486 169 1HB ARG 24 HB2 ARG 24 -11.904 -26.257 -26.257 170 2HB ARG 24 HB1 ARG 24 -11.820 -24.618 -24.618 171 1HG ARG 24 HG2 ARG 24 -9.539 -26.233 -26.233 172 2HG ARG 24 HG1 ARG 24 -11.068 -27.037 -27.037 173 1HD ARG 24 HD2 ARG 24 -11.820 -24.812 -24.812 174 2HD ARG 24 HD1 ARG 24 -10.157 -24.236 -24.236 175 HE ARG 24 HE ARG 24 -11.157 -26.132 -26.132 176 1HH1 ARG 24 HH1 ARG 24 -8.332 -25.038 -25.038 177 2HH1 ARG 24 HH1 ARG 24 -7.148 -25.632 -25.632 178 1HH2 ARG 24 HH2 ARG 24 -9.605 -26.929 -26.929 179 2HH2 ARG 24 HH2 ARG 24 -7.875 -26.713 -26.713 180 H GLY 25 H GLY 25 -11.507 -26.780 -26.780 181 1HA GLY 25 HA1 GLY 25 -10.140 -29.161 -29.161 182 2HA GLY 25 HA2 GLY 25 -9.205 -28.224 -28.224 183 H TYR 26 H TYR 26 -10.690 -27.013 -27.013 184 HA TYR 26 HA TYR 26 -12.224 -27.245 -27.245 185 1HB TYR 26 HB1 TYR 26 -13.803 -28.985 -28.985 186 2HB TYR 26 HB2 TYR 26 -14.427 -28.176 -28.176 187 HD1 TYR 26 HD2 TYR 26 -12.281 -25.755 -25.755 188 HD2 TYR 26 HD1 TYR 26 -15.927 -27.684 -27.684 189 HE1 TYR 26 HE2 TYR 26 -12.866 -23.751 -23.751 190 HE2 TYR 26 HE1 TYR 26 -16.509 -25.681 -25.681 191 HH TYR 26 HH TYR 26 -14.874 -22.644 -22.644 192 H ILE 27 H ILE 27 -11.667 -28.380 -28.380 193 HA ILE 27 HA ILE 27 -11.760 -31.308 -31.308 194 HB ILE 27 HB ILE 27 -9.372 -29.950 -29.950 195 1HG1 ILE 27 HG1 ILE 27 -9.555 -31.183 -31.183 196 2HG1 ILE 27 HG1 ILE 27 -9.569 -29.440 -29.440 197 1HG2 ILE 27 HG2 ILE 27 -9.904 -32.833 -32.833 198 2HG2 ILE 27 HG2 ILE 27 -8.342 -32.206 -32.206 199 3HG2 ILE 27 HG2 ILE 27 -9.767 -32.205 -32.205 200 1HD1 ILE 27 HD1 ILE 27 -7.316 -31.383 -31.383 201 2HD1 ILE 27 HD1 ILE 27 -7.306 -30.219 -30.219 202 3HD1 ILE 27 HD1 ILE 27 -7.313 -29.638 -29.638 203 H THR 28 H THR 28 -13.267 -28.961 -28.961 204 HA THR 28 HA THR 28 -14.172 -28.356 -28.356 205 HB THR 28 HB THR 28 -13.951 -31.401 -31.401 206 HG1 THR 28 HG1 THR 28 -15.046 -30.496 -30.496 207 1HG2 THR 28 HG2 THR 28 -15.280 -29.197 -29.197 208 2HG2 THR 28 HG2 THR 28 -16.238 -30.649 -30.649 209 3HG2 THR 28 HG2 THR 28 -14.725 -30.796 -30.796 210 H ARG 29 H ARG 29 -11.991 -27.189 -27.189 211 HA ARG 29 HA ARG 29 -10.396 -28.434 -28.434 212 1HB ARG 29 HB2 ARG 29 -9.931 -25.930 -25.930 213 2HB ARG 29 HB1 ARG 29 -8.844 -26.500 -26.500 214 1HG ARG 29 HG2 ARG 29 -9.614 -28.047 -28.047 215 2HG ARG 29 HG1 ARG 29 -8.076 -27.201 -27.201 216 1HD ARG 29 HD2 ARG 29 -7.645 -28.690 -28.690 217 2HD ARG 29 HD1 ARG 29 -9.151 -29.558 -29.558 218 HE ARG 29 HE ARG 29 -7.243 -29.343 -29.343 219 1HH1 ARG 29 HH1 ARG 29 -8.369 -31.235 -31.235 220 2HH1 ARG 29 HH1 ARG 29 -7.705 -32.768 -32.768 221 1HH2 ARG 29 HH2 ARG 29 -6.353 -31.365 -31.365 222 2HH2 ARG 29 HH2 ARG 29 -6.554 -32.842 -32.842 223 H TYR 30 H TYR 30 -9.587 -26.704 -26.704 224 HA TYR 30 HA TYR 30 -11.980 -25.055 -25.055 225 1HB TYR 30 HB1 TYR 30 -10.173 -26.560 -26.560 226 2HB TYR 30 HB2 TYR 30 -11.580 -25.599 -25.599 227 HD1 TYR 30 HD1 TYR 30 -10.777 -28.524 -28.524 228 HD2 TYR 30 HD2 TYR 30 -13.565 -26.702 -26.702 229 HE1 TYR 30 HE1 TYR 30 -12.255 -30.507 -30.507 230 HE2 TYR 30 HE2 TYR 30 -15.042 -28.685 -28.685 231 HH TYR 30 HH TYR 30 -14.722 -31.108 -31.108 232 H PHE 31 H PHE 31 -11.473 -23.187 -23.187 233 HA PHE 31 HA PHE 31 -8.667 -22.255 -22.255 234 1HB PHE 31 HB2 PHE 31 -8.869 -20.458 -20.458 235 2HB PHE 31 HB1 PHE 31 -9.586 -21.793 -21.793 236 HD1 PHE 31 HD2 PHE 31 -12.236 -22.091 -22.091 237 HD2 PHE 31 HD1 PHE 31 -10.066 -18.409 -18.409 238 HE1 PHE 31 HE2 PHE 31 -14.326 -20.790 -20.790 239 HE2 PHE 31 HE1 PHE 31 -12.159 -17.118 -17.118 240 HZ PHE 31 HZ PHE 31 -14.291 -18.304 -18.304 241 H TYR 32 H TYR 32 -8.383 -20.588 -20.588 242 HA TYR 32 HA TYR 32 -10.635 -20.353 -20.353 243 1HB TYR 32 HB1 TYR 32 -8.130 -20.541 -20.541 244 2HB TYR 32 HB2 TYR 32 -7.978 -18.868 -18.868 245 HD1 TYR 32 HD2 TYR 32 -9.158 -17.021 -17.021 246 HD2 TYR 32 HD1 TYR 32 -9.164 -21.093 -21.093 247 HE1 TYR 32 HE2 TYR 32 -9.864 -16.221 -16.221 248 HE2 TYR 32 HE1 TYR 32 -9.869 -20.290 -20.290 249 HH TYR 32 HH TYR 32 -10.274 -18.432 -18.432 250 H ASN 33 H ASN 33 -12.317 -19.207 -19.207 251 HA ASN 33 HA ASN 33 -11.734 -16.664 -16.664 252 1HB ASN 33 HB2 ASN 33 -13.628 -18.407 -18.407 253 2HB ASN 33 HB1 ASN 33 -14.481 -17.664 -17.664 254 1HD2 ASN 33 HD2 ASN 33 -15.484 -16.005 -16.005 255 2HD2 ASN 33 HD2 ASN 33 -15.482 -17.650 -17.650 256 H ASN 34 H ASN 34 -11.640 -14.724 -14.724 257 HA ASN 34 HA ASN 34 -12.070 -14.509 -14.509 258 1HB ASN 34 HB2 ASN 34 -10.469 -13.057 -13.057 259 2HB ASN 34 HB1 ASN 34 -11.814 -12.358 -12.358 260 1HD2 ASN 34 HD2 ASN 34 -13.110 -10.374 -10.374 261 2HD2 ASN 34 HD2 ASN 34 -13.513 -11.266 -11.266 262 H GLN 35 H GLN 35 -14.092 -14.148 -14.148 263 HA GLN 35 HA GLN 35 -16.017 -12.362 -12.362 264 1HB GLN 35 HB2 GLN 35 -15.726 -13.850 -13.850 265 2HB GLN 35 HB1 GLN 35 -17.066 -14.713 -14.713 266 1HG GLN 35 HG2 GLN 35 -17.924 -12.944 -12.944 267 2HG GLN 35 HG1 GLN 35 -18.298 -12.562 -12.562 268 1HE2 GLN 35 HE2 GLN 35 -15.419 -10.425 -10.425 269 2HE2 GLN 35 HE2 GLN 35 -15.865 -12.080 -12.080 270 H THR 36 H THR 36 -15.430 -15.771 -15.771 271 HA THR 36 HA THR 36 -17.640 -15.570 -15.570 272 HB THR 36 HB THR 36 -18.107 -18.013 -18.013 273 HG1 THR 36 HG1 THR 36 -16.860 -18.957 -18.957 274 1HG2 THR 36 HG2 THR 36 -18.122 -15.986 -15.986 275 2HG2 THR 36 HG2 THR 36 -18.390 -17.689 -17.689 276 3HG2 THR 36 HG2 THR 36 -19.502 -16.878 -16.878 277 H LYS 37 H LYS 37 -14.562 -15.097 -15.097 278 HA LYS 37 HA LYS 37 -12.689 -15.836 -15.836 279 1HB LYS 37 HB2 LYS 37 -14.761 -15.519 -15.519 280 2HB LYS 37 HB1 LYS 37 -13.015 -15.634 -15.634 281 1HG LYS 37 HG2 LYS 37 -12.871 -13.411 -13.411 282 2HG LYS 37 HG1 LYS 37 -13.341 -13.703 -13.703 283 1HD LYS 37 HD2 LYS 37 -14.877 -12.079 -12.079 284 2HD LYS 37 HD1 LYS 37 -15.757 -13.610 -13.610 285 1HE LYS 37 HE2 LYS 37 -16.258 -13.537 -13.537 286 2HE LYS 37 HE1 LYS 37 -14.527 -13.630 -13.630 287 1HZ LYS 37 HZ1 LYS 37 -16.045 -11.158 -11.158 288 2HZ LYS 37 HZ3 LYS 37 -15.552 -11.687 -11.687 289 3HZ LYS 37 HZ2 LYS 37 -14.427 -11.234 -11.234 290 H GLN 38 H GLN 38 -13.425 -18.033 -18.033 291 HA GLN 38 HA GLN 38 -12.569 -20.130 -20.130 292 1HB GLN 38 HB2 GLN 38 -15.252 -19.692 -19.692 293 2HB GLN 38 HB1 GLN 38 -15.267 -20.889 -20.889 294 1HG GLN 38 HG2 GLN 38 -14.666 -22.550 -22.550 295 2HG GLN 38 HG1 GLN 38 -13.330 -21.587 -21.587 296 1HE2 GLN 38 HE2 GLN 38 -15.065 -20.384 -20.384 297 2HE2 GLN 38 HE2 GLN 38 -13.686 -20.196 -20.196 298 H CYS 39 H CYS 39 -13.017 -22.388 -22.388 299 HA CYS 39 HA CYS 39 -11.926 -21.850 -21.850 300 1HB CYS 39 HB2 CYS 39 -12.449 -24.354 -24.354 301 2HB CYS 39 HB1 CYS 39 -11.921 -24.399 -24.399 302 HG CYS 39 HG CYS 39 -10.146 -23.525 -23.525 303 H GLU 40 H GLU 40 -12.961 -22.041 -22.041 304 HA GLU 40 HA GLU 40 -15.763 -23.022 -23.022 305 1HB GLU 40 HB2 GLU 40 -14.800 -20.758 -20.758 306 2HB GLU 40 HB1 GLU 40 -16.469 -21.307 -21.307 307 1HG GLU 40 HG2 GLU 40 -15.799 -20.762 -20.762 308 2HG GLU 40 HG1 GLU 40 -14.702 -19.632 -19.632 309 H ARG 41 H ARG 41 -16.500 -24.225 -24.225 310 HA ARG 41 HA ARG 41 -14.349 -25.535 -25.535 311 1HB ARG 41 HB2 ARG 41 -17.098 -26.102 -26.102 312 2HB ARG 41 HB1 ARG 41 -16.910 -26.213 -26.213 313 1HG ARG 41 HG2 ARG 41 -15.387 -27.973 -27.973 314 2HG ARG 41 HG1 ARG 41 -14.834 -27.495 -27.495 315 1HD ARG 41 HD2 ARG 41 -16.127 -29.284 -29.284 316 2HD ARG 41 HD1 ARG 41 -17.444 -28.100 -28.100 317 HE ARG 41 HE ARG 41 -17.168 -29.103 -29.103 318 1HH1 ARG 41 HH1 ARG 41 -17.752 -30.471 -30.471 319 2HH1 ARG 41 HH1 ARG 41 -18.692 -31.848 -31.848 320 1HH2 ARG 41 HH2 ARG 41 -18.413 -30.921 -30.921 321 2HH2 ARG 41 HH2 ARG 41 -19.070 -32.105 -32.105 322 H PHE 42 H PHE 42 -13.463 -24.734 -24.734 323 HA PHE 42 HA PHE 42 -15.249 -23.274 -23.274 324 1HB PHE 42 HB2 PHE 42 -13.882 -21.462 -21.462 325 2HB PHE 42 HB1 PHE 42 -13.701 -21.843 -21.843 326 HD1 PHE 42 HD2 PHE 42 -11.702 -23.495 -23.495 327 HD2 PHE 42 HD1 PHE 42 -11.913 -21.157 -21.157 328 HE1 PHE 42 HE2 PHE 42 -9.236 -23.666 -23.666 329 HE2 PHE 42 HE1 PHE 42 -9.448 -21.334 -21.334 330 HZ PHE 42 HZ PHE 42 -8.106 -22.586 -22.586 331 H LYS 43 H LYS 43 -14.478 -23.369 -23.369 332 HA LYS 43 HA LYS 43 -13.255 -25.919 -25.919 333 1HB LYS 43 HB2 LYS 43 -14.824 -23.950 -23.950 334 2HB LYS 43 HB1 LYS 43 -13.425 -24.428 -24.428 335 1HG LYS 43 HG2 LYS 43 -14.868 -26.122 -26.122 336 2HG LYS 43 HG1 LYS 43 -14.182 -26.869 -26.869 337 1HD LYS 43 HD2 LYS 43 -16.530 -27.118 -27.118 338 2HD LYS 43 HD1 LYS 43 -16.126 -25.723 -25.723 339 1HE LYS 43 HE2 LYS 43 -16.901 -24.180 -24.180 340 2HE LYS 43 HE1 LYS 43 -17.093 -25.501 -25.501 341 1HZ LYS 43 HZ1 LYS 43 -18.604 -25.186 -25.186 342 2HZ LYS 43 HZ3 LYS 43 -19.173 -24.860 -24.860 343 3HZ LYS 43 HZ2 LYS 43 -18.802 -26.417 -26.417 344 H TYR 44 H TYR 44 -11.399 -25.989 -25.989 345 HA TYR 44 HA TYR 44 -9.451 -23.840 -23.840 346 1HB TYR 44 HB1 TYR 44 -8.876 -25.814 -25.814 347 2HB TYR 44 HB2 TYR 44 -9.003 -26.855 -26.855 348 HD1 TYR 44 HD2 TYR 44 -7.475 -23.771 -23.771 349 HD2 TYR 44 HD1 TYR 44 -6.635 -27.549 -27.549 350 HE1 TYR 44 HE2 TYR 44 -5.058 -23.481 -23.481 351 HE2 TYR 44 HE1 TYR 44 -4.221 -27.258 -27.258 352 HH TYR 44 HH TYR 44 -2.597 -25.912 -25.912 353 H GLY 45 H GLY 45 -8.341 -26.516 -26.516 354 1HA GLY 45 HA1 GLY 45 -8.998 -26.391 -26.391 355 2HA GLY 45 HA2 GLY 45 -8.383 -24.732 -24.732 356 H GLY 46 H GLY 46 -6.102 -24.550 -24.550 357 1HA GLY 46 HA1 GLY 46 -4.056 -25.951 -25.951 358 2HA GLY 46 HA2 GLY 46 -4.412 -26.803 -26.803 359 H CYS 47 H CYS 47 -2.912 -26.180 -26.180 360 HA CYS 47 HA CYS 47 -1.138 -24.438 -24.438 361 1HB CYS 47 HB2 CYS 47 -3.094 -23.761 -23.761 362 2HB CYS 47 HB1 CYS 47 -1.437 -24.384 -24.384 363 HG CYS 47 HG CYS 47 -2.050 -27.000 -27.000 364 H LEU 48 H LEU 48 -0.690 -22.535 -22.535 365 HA LEU 48 HA LEU 48 -0.913 -20.429 -20.429 366 1HB LEU 48 HB2 LEU 48 -1.138 -20.044 -20.044 367 2HB LEU 48 HB1 LEU 48 -2.902 -20.130 -20.130 368 HG LEU 48 HG LEU 48 -1.862 -17.846 -17.846 369 1HD1 LEU 48 HD1 LEU 48 -3.586 -18.439 -18.439 370 2HD1 LEU 48 HD1 LEU 48 -3.358 -16.826 -16.826 371 3HD1 LEU 48 HD1 LEU 48 -4.151 -18.118 -18.118 372 1HD2 LEU 48 HD2 LEU 48 0.094 -18.173 -18.173 373 2HD2 LEU 48 HD2 LEU 48 -0.917 -16.847 -16.847 374 3HD2 LEU 48 HD2 LEU 48 -0.955 -18.446 -18.446 375 H GLY 49 H GLY 49 -1.924 -19.535 -19.535 376 1HA GLY 49 HA1 GLY 49 -4.758 -19.442 -19.442 377 2HA GLY 49 HA2 GLY 49 -4.103 -20.849 -20.849 378 H ASN 50 H ASN 50 -3.523 -20.461 -20.461 379 HA ASN 50 HA ASN 50 -1.894 -18.221 -18.221 380 1HB ASN 50 HB2 ASN 50 -3.405 -16.894 -16.894 381 2HB ASN 50 HB1 ASN 50 -4.299 -17.215 -17.215 382 1HD2 ASN 50 HD2 ASN 50 -6.257 -17.851 -17.851 383 2HD2 ASN 50 HD2 ASN 50 -5.135 -16.573 -16.573 384 H MET 51 H MET 51 -2.899 -18.098 -18.098 385 HA MET 51 HA MET 51 -1.981 -20.792 -20.792 386 1HB MET 51 HB2 MET 51 -2.381 -18.340 -18.340 387 2HB MET 51 HB1 MET 51 -1.358 -19.757 -19.757 388 1HG MET 51 HG2 MET 51 -0.872 -17.901 -17.901 389 2HG MET 51 HG1 MET 51 -0.186 -17.567 -17.567 390 1HE MET 51 HE1 MET 51 0.504 -20.323 -20.323 391 2HE MET 51 HE3 MET 51 2.156 -20.618 -20.618 392 3HE MET 51 HE2 MET 51 1.677 -18.993 -18.993 393 H ASN 52 H ASN 52 -3.222 -19.868 -19.868 394 HA ASN 52 HA ASN 52 -5.035 -20.913 -20.913 395 1HB ASN 52 HB2 ASN 52 -5.501 -18.378 -18.378 396 2HB ASN 52 HB1 ASN 52 -6.682 -19.073 -19.073 397 1HD2 ASN 52 HD2 ASN 52 -8.826 -18.545 -18.545 398 2HD2 ASN 52 HD2 ASN 52 -8.164 -17.809 -17.809 399 H ASN 53 H ASN 53 -4.384 -22.729 -22.729 400 HA ASN 53 HA ASN 53 -7.058 -23.492 -23.492 401 1HB ASN 53 HB2 ASN 53 -5.771 -22.837 -22.837 402 2HB ASN 53 HB1 ASN 53 -4.317 -23.648 -23.648 403 1HD2 ASN 53 HD2 ASN 53 -7.147 -25.586 -25.586 404 2HD2 ASN 53 HD2 ASN 53 -7.187 -23.865 -23.865 405 H PHE 54 H PHE 54 -7.406 -24.844 -24.844 406 HA PHE 54 HA PHE 54 -5.419 -27.024 -27.024 407 1HB PHE 54 HB2 PHE 54 -7.969 -26.240 -26.240 408 2HB PHE 54 HB1 PHE 54 -6.835 -27.486 -27.486 409 HD1 PHE 54 HD2 PHE 54 -4.625 -26.947 -26.947 410 HD2 PHE 54 HD1 PHE 54 -7.400 -23.830 -23.830 411 HE1 PHE 54 HE2 PHE 54 -3.307 -25.290 -25.290 412 HE2 PHE 54 HE1 PHE 54 -6.076 -22.182 -22.182 413 HZ PHE 54 HZ PHE 54 -4.030 -22.907 -22.907 414 H GLU 55 H GLU 55 -6.375 -29.254 -29.254 415 HA GLU 55 HA GLU 55 -8.249 -29.766 -29.766 416 1HB GLU 55 HB2 GLU 55 -6.389 -31.648 -31.648 417 2HB GLU 55 HB1 GLU 55 -7.476 -32.131 -32.131 418 1HG GLU 55 HG2 GLU 55 -6.241 -30.166 -30.166 419 2HG GLU 55 HG1 GLU 55 -4.980 -30.435 -30.435 420 H THR 56 H THR 56 -7.826 -29.990 -29.990 421 HA THR 56 HA THR 56 -10.618 -31.032 -31.032 422 HB THR 56 HB THR 56 -9.574 -32.129 -32.129 423 HG1 THR 56 HG1 THR 56 -7.426 -32.373 -32.373 424 1HG2 THR 56 HG2 THR 56 -9.459 -33.030 -33.030 425 2HG2 THR 56 HG2 THR 56 -8.524 -33.960 -33.960 426 3HG2 THR 56 HG2 THR 56 -10.283 -33.818 -33.818 427 H LEU 57 H LEU 57 -11.835 -30.254 -30.254 428 HA LEU 57 HA LEU 57 -11.312 -27.521 -27.521 429 1HB LEU 57 HB2 LEU 57 -13.517 -28.547 -28.547 430 2HB LEU 57 HB1 LEU 57 -13.165 -29.435 -29.435 431 HG LEU 57 HG LEU 57 -12.696 -26.939 -26.939 432 1HD1 LEU 57 HD1 LEU 57 -14.863 -26.613 -26.613 433 2HD1 LEU 57 HD1 LEU 57 -14.455 -25.404 -25.404 434 3HD1 LEU 57 HD1 LEU 57 -13.262 -25.848 -25.848 435 1HD2 LEU 57 HD2 LEU 57 -14.190 -28.529 -28.529 436 2HD2 LEU 57 HD2 LEU 57 -14.986 -26.936 -26.936 437 3HD2 LEU 57 HD2 LEU 57 -15.447 -28.254 -28.254 438 H GLU 58 H GLU 58 -10.976 -30.520 -30.520 439 HA GLU 58 HA GLU 58 -10.124 -29.325 -29.325 440 1HB GLU 58 HB2 GLU 58 -10.489 -31.881 -31.881 441 2HB GLU 58 HB1 GLU 58 -8.716 -31.827 -31.827 442 1HG GLU 58 HG2 GLU 58 -8.671 -30.999 -30.999 443 2HG GLU 58 HG1 GLU 58 -10.445 -31.046 -31.046 444 H GLU 59 H GLU 59 -8.111 -30.441 -30.441 445 HA GLU 59 HA GLU 59 -5.633 -29.677 -29.677 446 1HB GLU 59 HB2 GLU 59 -6.306 -30.909 -30.909 447 2HB GLU 59 HB1 GLU 59 -6.223 -29.277 -29.277 448 1HG GLU 59 HG2 GLU 59 -3.962 -30.289 -30.289 449 2HG GLU 59 HG1 GLU 59 -4.081 -30.842 -30.842 450 H CYS 60 H CYS 60 -7.991 -27.759 -27.759 451 HA CYS 60 HA CYS 60 -6.420 -25.410 -25.410 452 1HB CYS 60 HB2 CYS 60 -8.184 -25.591 -25.591 453 2HB CYS 60 HB1 CYS 60 -9.364 -25.948 -25.948 454 HG CYS 60 HG CYS 60 -8.340 -22.957 -22.957 455 H LYS 61 H LYS 61 -8.415 -26.866 -26.866 456 HA LYS 61 HA LYS 61 -8.583 -24.410 -24.410 457 1HB LYS 61 HB2 LYS 61 -9.262 -27.256 -27.256 458 2HB LYS 61 HB1 LYS 61 -9.689 -25.788 -25.788 459 1HG LYS 61 HG2 LYS 61 -10.552 -25.364 -25.364 460 2HG LYS 61 HG1 LYS 61 -11.023 -27.027 -27.027 461 1HD LYS 61 HD2 LYS 61 -12.664 -26.301 -26.301 462 2HD LYS 61 HD1 LYS 61 -11.560 -25.182 -25.182 463 1HE LYS 61 HE2 LYS 61 -12.859 -23.565 -23.565 464 2HE LYS 61 HE1 LYS 61 -11.916 -23.918 -23.918 465 1HZ LYS 61 HZ1 LYS 61 -14.486 -25.173 -25.173 466 2HZ LYS 61 HZ3 LYS 61 -14.269 -23.986 -23.986 467 3HZ LYS 61 HZ2 LYS 61 -13.618 -25.497 -25.497 468 H ASN 62 H ASN 62 -6.851 -27.581 -27.581 469 HA ASN 62 HA ASN 62 -5.373 -27.013 -27.013 470 1HB ASN 62 HB2 ASN 62 -5.450 -29.191 -29.191 471 2HB ASN 62 HB1 ASN 62 -4.227 -28.433 -28.433 472 1HD2 ASN 62 HD2 ASN 62 -2.774 -30.596 -30.596 473 2HD2 ASN 62 HD2 ASN 62 -4.096 -30.833 -30.833 474 H ILE 63 H ILE 63 -4.710 -26.166 -26.166 475 HA ILE 63 HA ILE 63 -2.183 -24.946 -24.946 476 HB ILE 63 HB ILE 63 -3.901 -25.183 -25.183 477 1HG1 ILE 63 HG1 ILE 63 -2.074 -26.409 -26.409 478 2HG1 ILE 63 HG1 ILE 63 -0.936 -25.751 -25.751 479 1HG2 ILE 63 HG2 ILE 63 -1.510 -23.307 -23.307 480 2HG2 ILE 63 HG2 ILE 63 -2.305 -23.805 -23.805 481 3HG2 ILE 63 HG2 ILE 63 -3.197 -22.854 -22.854 482 1HD1 ILE 63 HD1 ILE 63 -3.282 -27.622 -27.622 483 2HD1 ILE 63 HD1 ILE 63 -1.559 -28.086 -28.086 484 3HD1 ILE 63 HD1 ILE 63 -2.139 -26.983 -26.983 485 H CYS 64 H CYS 64 -5.450 -23.686 -23.686 486 HA CYS 64 HA CYS 64 -4.614 -20.985 -20.985 487 1HB CYS 64 HB2 CYS 64 -7.379 -21.938 -21.938 488 2HB CYS 64 HB1 CYS 64 -6.754 -20.277 -20.277 489 HG CYS 64 HG CYS 64 -7.021 -22.182 -22.182 490 H GLU 65 H GLU 65 -7.723 -22.581 -22.581 491 HA GLU 65 HA GLU 65 -8.272 -21.309 -21.309 492 1HB GLU 65 HB2 GLU 65 -8.668 -24.155 -24.155 493 2HB GLU 65 HB1 GLU 65 -8.987 -23.751 -23.751 494 1HG GLU 65 HG2 GLU 65 -10.239 -21.676 -21.676 495 2HG GLU 65 HG1 GLU 65 -10.466 -23.001 -23.001 496 H ASP 66 H ASP 66 -5.689 -23.719 -23.719 497 HA ASP 66 HA ASP 66 -4.084 -24.511 -24.511 498 1HB ASP 66 HB2 ASP 66 -2.831 -22.846 -22.846 499 2HB ASP 66 HB1 ASP 66 -3.454 -22.093 -22.093 500 H GLY 67 H GLY 67 -3.359 -24.175 -24.175 501 1HA GLY 67 HA1 GLY 67 -5.615 -25.383 -25.383 502 2HA GLY 67 HA2 GLY 67 -3.962 -25.149 -25.149 503 HA PRO 68 HA PRO 68 -4.970 -21.605 -21.605 504 1HB PRO 68 HB2 PRO 68 -3.344 -19.568 -19.568 505 2HB PRO 68 HB1 PRO 68 -2.780 -20.774 -20.774 506 1HG PRO 68 HG2 PRO 68 -2.246 -20.553 -20.553 507 2HG PRO 68 HG1 PRO 68 -1.383 -21.471 -21.471 508 1HD PRO 68 HD2 PRO 68 -3.185 -22.495 -22.495 509 2HD PRO 68 HD1 PRO 68 -2.397 -23.379 -23.379 510 H ASN 69 H ASN 69 -4.231 -19.589 -19.589 511 HA ASN 69 HA ASN 69 -6.725 -18.217 -18.217 512 1HB ASN 69 HB2 ASN 69 -4.444 -18.380 -18.380 513 2HB ASN 69 HB1 ASN 69 -5.990 -17.792 -17.792 514 1HD2 ASN 69 HD2 ASN 69 -5.826 -14.628 -14.628 515 2HD2 ASN 69 HD2 ASN 69 -6.658 -15.789 -15.789 516 H GLY 70 H GLY 70 -8.135 -20.206 -20.206 517 1HA GLY 70 HA1 GLY 70 -10.027 -20.740 -20.740 518 2HA GLY 70 HA2 GLY 70 -8.765 -21.328 -21.328 519 H PHE 71 H PHE 71 -9.722 -23.476 -23.476 520 HA PHE 71 HA PHE 71 -10.009 -25.641 -25.641 521 1HB PHE 71 HB2 PHE 71 -7.425 -24.616 -24.616 522 2HB PHE 71 HB1 PHE 71 -8.085 -26.006 -26.006 523 HD1 PHE 71 HD2 PHE 71 -8.888 -25.636 -25.636 524 HD2 PHE 71 HD1 PHE 71 -6.134 -27.380 -27.380 525 HE1 PHE 71 HE2 PHE 71 -8.022 -27.158 -27.158 526 HE2 PHE 71 HE1 PHE 71 -5.275 -28.897 -28.897 527 HZ PHE 71 HZ PHE 71 -6.216 -28.790 -28.790 Start of MODEL 8 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.480 -0.346 -0.346 3 1HB ASP 1 HB2 ASP 1 1.991 2.111 2.111 4 2HB ASP 1 HB1 ASP 1 3.642 1.460 1.460 5 H TYR 2 H TYR 2 2.314 -2.064 -2.064 6 HA TYR 2 HA TYR 2 3.939 -3.657 -3.657 7 1HB TYR 2 HB1 TYR 2 4.024 -4.497 -4.497 8 2HB TYR 2 HB2 TYR 2 4.283 -2.920 -2.920 9 HD1 TYR 2 HD2 TYR 2 6.136 -5.426 -5.426 10 HD2 TYR 2 HD1 TYR 2 6.365 -2.399 -2.399 11 HE1 TYR 2 HE2 TYR 2 8.545 -5.926 -5.926 12 HE2 TYR 2 HE1 TYR 2 8.774 -2.900 -2.900 13 HH TYR 2 HH TYR 2 10.565 -4.218 -4.218 14 H LYS 3 H LYS 3 5.921 -1.337 -1.337 15 HA LYS 3 HA LYS 3 7.005 0.080 0.080 16 1HB LYS 3 HB2 LYS 3 7.819 -2.537 -2.537 17 2HB LYS 3 HB1 LYS 3 9.189 -1.784 -1.784 18 1HG LYS 3 HG2 LYS 3 8.488 0.085 0.085 19 2HG LYS 3 HG1 LYS 3 8.268 -1.478 -1.478 20 1HD LYS 3 HD2 LYS 3 10.517 -1.972 -1.972 21 2HD LYS 3 HD1 LYS 3 10.750 -1.158 -1.158 22 1HE LYS 3 HE2 LYS 3 11.895 -0.027 -0.027 23 2HE LYS 3 HE1 LYS 3 10.765 1.020 1.020 24 1HZ LYS 3 HZ1 LYS 3 10.179 -0.446 -0.446 25 2HZ LYS 3 HZ3 LYS 3 10.493 1.189 1.189 26 3HZ LYS 3 HZ2 LYS 3 9.120 0.545 0.545 27 H ASP 4 H ASP 4 9.643 0.541 0.541 28 HA ASP 4 HA ASP 4 9.524 2.328 2.328 29 1HB ASP 4 HB2 ASP 4 11.561 1.689 1.689 30 2HB ASP 4 HB1 ASP 4 11.743 0.275 0.275 31 H ASP 5 H ASP 5 9.861 2.372 2.372 32 HA ASP 5 HA ASP 5 9.369 -0.261 -0.261 33 1HB ASP 5 HB2 ASP 5 8.254 2.498 2.498 34 2HB ASP 5 HB1 ASP 5 8.246 1.190 1.190 35 H ASP 6 H ASP 6 11.792 -0.286 -0.286 36 HA ASP 6 HA ASP 6 13.789 0.101 0.101 37 1HB ASP 6 HB2 ASP 6 13.258 1.028 1.028 38 2HB ASP 6 HB1 ASP 6 13.244 -0.684 -0.684 39 H ASP 7 H ASP 7 12.074 2.545 2.545 40 HA ASP 7 HA ASP 7 12.541 4.771 4.771 41 1HB ASP 7 HB2 ASP 7 13.106 5.885 5.885 42 2HB ASP 7 HB1 ASP 7 11.464 5.554 5.554 43 H LYS 8 H LYS 8 14.561 4.626 4.626 44 HA LYS 8 HA LYS 8 16.788 4.788 4.788 45 1HB LYS 8 HB2 LYS 8 16.624 3.445 3.445 46 2HB LYS 8 HB1 LYS 8 18.080 4.450 4.450 47 1HG LYS 8 HG2 LYS 8 18.906 2.573 2.573 48 2HG LYS 8 HG1 LYS 8 18.115 3.291 3.291 49 1HD LYS 8 HD2 LYS 8 16.102 1.837 1.837 50 2HD LYS 8 HD1 LYS 8 17.538 0.796 0.796 51 1HE LYS 8 HE2 LYS 8 16.526 2.178 2.178 52 2HE LYS 8 HE1 LYS 8 15.948 0.575 0.575 53 1HZ LYS 8 HZ1 LYS 8 18.763 1.320 1.320 54 2HZ LYS 8 HZ3 LYS 8 17.778 0.438 0.438 55 3HZ LYS 8 HZ2 LYS 8 18.230 -0.187 -0.187 56 H LEU 9 H LEU 9 17.793 6.699 6.699 57 HA LEU 9 HA LEU 9 18.407 8.848 8.848 58 1HB LEU 9 HB2 LEU 9 18.291 8.218 8.218 59 2HB LEU 9 HB1 LEU 9 18.960 9.710 9.710 60 HG LEU 9 HG LEU 9 20.858 8.533 8.533 61 1HD1 LEU 9 HD1 LEU 9 19.937 7.504 7.504 62 2HD1 LEU 9 HD1 LEU 9 21.624 7.497 7.497 63 3HD1 LEU 9 HD1 LEU 9 20.774 9.034 9.034 64 1HD2 LEU 9 HD2 LEU 9 19.838 6.528 6.528 65 2HD2 LEU 9 HD2 LEU 9 21.098 6.056 6.056 66 3HD2 LEU 9 HD2 LEU 9 19.382 5.939 5.939 67 H LYS 10 H LYS 10 15.554 8.033 8.033 68 HA LYS 10 HA LYS 10 14.429 10.577 10.577 69 1HB LYS 10 HB2 LYS 10 13.698 7.916 7.916 70 2HB LYS 10 HB1 LYS 10 12.318 8.715 8.715 71 1HG LYS 10 HG2 LYS 10 13.790 10.518 10.518 72 2HG LYS 10 HG1 LYS 10 13.205 9.073 9.073 73 1HD LYS 10 HD2 LYS 10 11.052 9.854 9.854 74 2HD LYS 10 HD1 LYS 10 11.723 11.386 11.386 75 1HE LYS 10 HE2 LYS 10 10.168 10.789 10.789 76 2HE LYS 10 HE1 LYS 10 11.707 10.207 10.207 77 1HZ LYS 10 HZ1 LYS 10 9.736 8.580 8.580 78 2HZ LYS 10 HZ3 LYS 10 9.976 8.569 8.569 79 3HZ LYS 10 HZ2 LYS 10 11.167 8.022 8.022 80 HA PRO 11 HA PRO 11 13.229 10.952 10.952 81 1HB PRO 11 HB2 PRO 11 11.246 12.928 12.928 82 2HB PRO 11 HB1 PRO 11 12.985 13.267 13.267 83 1HG PRO 11 HG2 PRO 11 11.192 13.276 13.276 84 2HG PRO 11 HG1 PRO 11 12.799 14.002 14.002 85 1HD PRO 11 HD2 PRO 11 12.139 11.615 11.615 86 2HD PRO 11 HD1 PRO 11 13.750 12.297 12.297 87 H ASP 12 H ASP 12 12.278 9.180 9.180 88 HA ASP 12 HA ASP 12 9.889 8.030 8.030 89 1HB ASP 12 HB2 ASP 12 11.443 6.772 6.772 90 2HB ASP 12 HB1 ASP 12 11.173 7.890 7.890 91 H PHE 13 H PHE 13 10.533 10.591 10.591 92 HA PHE 13 HA PHE 13 8.066 10.699 10.699 93 1HB PHE 13 HB2 PHE 13 8.674 12.885 12.885 94 2HB PHE 13 HB1 PHE 13 10.191 12.020 12.020 95 HD1 PHE 13 HD1 PHE 13 7.862 14.172 14.172 96 HD2 PHE 13 HD2 PHE 13 11.931 12.973 12.973 97 HE1 PHE 13 HE1 PHE 13 8.700 15.871 15.871 98 HE2 PHE 13 HE2 PHE 13 12.760 14.676 14.676 99 HZ PHE 13 HZ PHE 13 11.148 16.128 16.128 100 H CYS 14 H CYS 14 8.892 11.487 11.487 101 HA CYS 14 HA CYS 14 6.680 13.202 13.202 102 1HB CYS 14 HB2 CYS 14 8.469 11.526 11.526 103 2HB CYS 14 HB1 CYS 14 7.079 12.387 12.387 104 HG CYS 14 HG CYS 14 8.204 14.881 14.881 105 H PHE 15 H PHE 15 7.150 9.646 9.646 106 HA PHE 15 HA PHE 15 4.419 9.168 9.168 107 1HB PHE 15 HB2 PHE 15 6.176 7.056 7.056 108 2HB PHE 15 HB1 PHE 15 5.063 6.967 6.967 109 HD1 PHE 15 HD1 PHE 15 5.757 8.687 8.687 110 HD2 PHE 15 HD2 PHE 15 8.449 6.862 6.862 111 HE1 PHE 15 HE1 PHE 15 7.637 8.943 8.943 112 HE2 PHE 15 HE2 PHE 15 10.323 7.123 7.123 113 HZ PHE 15 HZ PHE 15 9.921 8.163 8.163 114 H LEU 16 H LEU 16 5.543 10.304 10.304 115 HA LEU 16 HA LEU 16 4.120 8.481 8.481 116 1HB LEU 16 HB2 LEU 16 6.215 9.925 9.925 117 2HB LEU 16 HB1 LEU 16 5.040 11.206 11.206 118 HG LEU 16 HG LEU 16 6.096 9.478 9.478 119 1HD1 LEU 16 HD1 LEU 16 3.357 10.801 10.801 120 2HD1 LEU 16 HD1 LEU 16 4.273 10.180 10.180 121 3HD1 LEU 16 HD1 LEU 16 4.915 11.527 11.527 122 1HD2 LEU 16 HD2 LEU 16 4.971 7.514 7.514 123 2HD2 LEU 16 HD2 LEU 16 4.311 7.869 7.869 124 3HD2 LEU 16 HD2 LEU 16 3.390 8.303 8.303 125 H GLU 17 H GLU 17 1.970 8.488 8.488 126 HA GLU 17 HA GLU 17 0.120 9.996 9.996 127 1HB GLU 17 HB2 GLU 17 0.132 8.556 8.556 128 2HB GLU 17 HB1 GLU 17 -1.181 9.729 9.729 129 1HG GLU 17 HG2 GLU 17 -1.157 8.433 8.433 130 2HG GLU 17 HG1 GLU 17 -0.686 7.124 7.124 131 H GLU 18 H GLU 18 -1.194 11.885 11.885 132 HA GLU 18 HA GLU 18 0.391 14.070 14.070 133 1HB GLU 18 HB2 GLU 18 -1.362 15.435 15.435 134 2HB GLU 18 HB1 GLU 18 -1.680 13.988 13.988 135 1HG GLU 18 HG2 GLU 18 -3.080 13.295 13.295 136 2HG GLU 18 HG1 GLU 18 -3.132 15.055 15.055 137 H ASP 19 H ASP 19 0.429 15.208 15.208 138 HA ASP 19 HA ASP 19 -1.323 14.165 14.165 139 1HB ASP 19 HB2 ASP 19 1.135 13.305 13.305 140 2HB ASP 19 HB1 ASP 19 1.556 14.972 14.972 141 HA PRO 20 HA PRO 20 -1.635 18.667 18.667 142 1HB PRO 20 HB2 PRO 20 -4.258 18.653 18.653 143 2HB PRO 20 HB1 PRO 20 -3.877 18.598 18.598 144 1HG PRO 20 HG2 PRO 20 -4.850 16.473 16.473 145 2HG PRO 20 HG1 PRO 20 -4.862 16.564 16.564 146 1HD PRO 20 HD2 PRO 20 -3.101 15.023 15.023 147 2HD PRO 20 HD1 PRO 20 -3.061 15.209 15.209 148 H GLY 21 H GLY 21 -1.832 16.304 16.304 149 1HA GLY 21 HA1 GLY 21 -0.573 16.829 16.829 150 2HA GLY 21 HA2 GLY 21 -1.255 18.466 18.466 151 H ILE 22 H ILE 22 -2.289 18.365 18.365 152 HA ILE 22 HA ILE 22 -4.418 16.309 16.309 153 HB ILE 22 HB ILE 22 -3.408 17.852 17.852 154 1HG1 ILE 22 HG1 ILE 22 -2.001 15.627 15.627 155 2HG1 ILE 22 HG1 ILE 22 -1.331 17.081 17.081 156 1HG2 ILE 22 HG2 ILE 22 -4.596 15.065 15.065 157 2HG2 ILE 22 HG2 ILE 22 -4.045 15.783 15.783 158 3HG2 ILE 22 HG2 ILE 22 -5.405 16.503 16.503 159 1HD1 ILE 22 HD1 ILE 22 -2.494 14.662 14.662 160 2HD1 ILE 22 HD1 ILE 22 -0.760 15.043 15.043 161 3HD1 ILE 22 HD1 ILE 22 -1.809 16.104 16.104 162 H CYS 23 H CYS 23 -3.576 19.772 19.772 163 HA CYS 23 HA CYS 23 -6.108 20.661 20.661 164 1HB CYS 23 HB2 CYS 23 -4.057 22.087 22.087 165 2HB CYS 23 HB1 CYS 23 -5.431 22.856 22.856 166 HG CYS 23 HG CYS 23 -4.405 21.926 21.926 167 H ARG 24 H ARG 24 -5.674 22.483 22.483 168 HA ARG 24 HA ARG 24 -6.964 20.791 20.791 169 1HB ARG 24 HB2 ARG 24 -8.823 21.515 21.515 170 2HB ARG 24 HB1 ARG 24 -8.718 23.077 23.077 171 1HG ARG 24 HG2 ARG 24 -9.604 22.228 22.228 172 2HG ARG 24 HG1 ARG 24 -8.934 20.607 20.607 173 1HD ARG 24 HD2 ARG 24 -10.861 19.909 19.909 174 2HD ARG 24 HD1 ARG 24 -10.900 21.324 21.324 175 HE ARG 24 HE ARG 24 -12.362 20.919 20.919 176 1HH1 ARG 24 HH1 ARG 24 -10.885 23.353 23.353 177 2HH1 ARG 24 HH1 ARG 24 -11.924 24.676 24.676 178 1HH2 ARG 24 HH2 ARG 24 -13.753 22.659 22.659 179 2HH2 ARG 24 HH2 ARG 24 -13.563 24.280 24.280 180 H GLY 25 H GLY 25 -6.732 24.235 24.235 181 1HA GLY 25 HA1 GLY 25 -6.746 25.979 25.979 182 2HA GLY 25 HA2 GLY 25 -5.105 25.668 25.668 183 H TYR 26 H TYR 26 -7.345 25.387 25.387 184 HA TYR 26 HA TYR 26 -5.464 23.678 23.678 185 1HB TYR 26 HB1 TYR 26 -8.024 25.062 25.062 186 2HB TYR 26 HB2 TYR 26 -7.138 23.826 23.826 187 HD1 TYR 26 HD2 TYR 26 -6.504 22.062 22.062 188 HD2 TYR 26 HD1 TYR 26 -10.140 23.828 23.828 189 HE1 TYR 26 HE2 TYR 26 -7.834 20.271 20.271 190 HE2 TYR 26 HE1 TYR 26 -11.467 22.038 22.038 191 HH TYR 26 HH TYR 26 -9.942 19.290 19.290 192 H ILE 27 H ILE 27 -4.405 24.333 24.333 193 HA ILE 27 HA ILE 27 -4.271 27.235 27.235 194 HB ILE 27 HB ILE 27 -1.764 25.651 25.651 195 1HG1 ILE 27 HG1 ILE 27 -3.048 27.428 27.428 196 2HG1 ILE 27 HG1 ILE 27 -3.098 25.654 25.654 197 1HG2 ILE 27 HG2 ILE 27 -2.322 28.644 28.644 198 2HG2 ILE 27 HG2 ILE 27 -0.730 27.900 27.900 199 3HG2 ILE 27 HG2 ILE 27 -1.517 27.693 27.693 200 1HD1 ILE 27 HD1 ILE 27 -0.566 27.373 27.373 201 2HD1 ILE 27 HD1 ILE 27 -1.291 26.514 26.514 202 3HD1 ILE 27 HD1 ILE 27 -0.607 25.599 25.599 203 H THR 28 H THR 28 -5.266 24.658 24.658 204 HA THR 28 HA THR 28 -5.119 23.579 23.579 205 HB THR 28 HB THR 28 -4.916 26.555 26.555 206 HG1 THR 28 HG1 THR 28 -7.078 26.254 26.254 207 1HG2 THR 28 HG2 THR 28 -5.146 24.044 24.044 208 2HG2 THR 28 HG2 THR 28 -6.244 25.388 25.388 209 3HG2 THR 28 HG2 THR 28 -4.490 25.637 25.637 210 H ARG 29 H ARG 29 -2.898 22.793 22.793 211 HA ARG 29 HA ARG 29 -0.590 23.789 23.789 212 1HB ARG 29 HB2 ARG 29 -0.890 21.717 21.717 213 2HB ARG 29 HB1 ARG 29 0.643 22.023 22.023 214 1HG ARG 29 HG2 ARG 29 -0.862 24.358 24.358 215 2HG ARG 29 HG1 ARG 29 0.005 23.281 23.281 216 1HD ARG 29 HD2 ARG 29 1.792 23.780 23.780 217 2HD ARG 29 HD1 ARG 29 1.051 25.347 25.347 218 HE ARG 29 HE ARG 29 2.840 23.730 23.730 219 1HH1 ARG 29 HH1 ARG 29 0.473 26.356 26.356 220 2HH1 ARG 29 HH1 ARG 29 1.003 27.129 27.129 221 1HH2 ARG 29 HH2 ARG 29 3.561 24.737 24.737 222 2HH2 ARG 29 HH2 ARG 29 2.767 26.204 26.204 223 H TYR 30 H TYR 30 0.977 21.670 21.670 224 HA TYR 30 HA TYR 30 -0.818 19.819 19.819 225 1HB TYR 30 HB1 TYR 30 1.722 21.140 21.140 226 2HB TYR 30 HB2 TYR 30 0.765 19.940 19.940 227 HD1 TYR 30 HD1 TYR 30 0.243 23.314 23.314 228 HD2 TYR 30 HD2 TYR 30 -0.774 20.640 20.640 229 HE1 TYR 30 HE1 TYR 30 -1.174 25.079 25.079 230 HE2 TYR 30 HE2 TYR 30 -2.191 22.407 22.407 231 HH TYR 30 HH TYR 30 -2.536 25.670 25.670 232 H PHE 31 H PHE 31 0.130 17.705 17.705 233 HA PHE 31 HA PHE 31 2.652 16.992 16.992 234 1HB PHE 31 HB2 PHE 31 1.745 15.576 15.576 235 2HB PHE 31 HB1 PHE 31 0.680 16.968 16.968 236 HD1 PHE 31 HD2 PHE 31 -1.522 16.897 16.897 237 HD2 PHE 31 HD1 PHE 31 0.790 13.406 13.406 238 HE1 PHE 31 HE2 PHE 31 -3.506 15.453 15.453 239 HE2 PHE 31 HE1 PHE 31 -1.198 11.971 11.971 240 HZ PHE 31 HZ PHE 31 -3.348 12.990 12.990 241 H TYR 32 H TYR 32 3.503 14.981 14.981 242 HA TYR 32 HA TYR 32 2.359 14.235 14.235 243 1HB TYR 32 HB1 TYR 32 4.874 14.502 14.502 244 2HB TYR 32 HB2 TYR 32 4.746 12.984 12.984 245 HD1 TYR 32 HD2 TYR 32 4.304 10.836 10.836 246 HD2 TYR 32 HD1 TYR 32 4.855 14.525 14.525 247 HE1 TYR 32 HE2 TYR 32 4.679 9.545 9.545 248 HE2 TYR 32 HE1 TYR 32 5.228 13.233 13.233 249 HH TYR 32 HH TYR 32 4.656 9.786 9.786 250 H ASN 33 H ASN 33 0.592 12.943 12.943 251 HA ASN 33 HA ASN 33 0.382 10.858 10.858 252 1HB ASN 33 HB2 ASN 33 -1.558 12.449 12.449 253 2HB ASN 33 HB1 ASN 33 -1.646 11.577 11.577 254 1HD2 ASN 33 HD2 ASN 33 -4.133 10.070 10.070 255 2HD2 ASN 33 HD2 ASN 33 -3.832 11.630 11.630 256 H ASN 34 H ASN 34 0.692 8.721 8.721 257 HA ASN 34 HA ASN 34 1.771 7.929 7.929 258 1HB ASN 34 HB2 ASN 34 2.466 6.681 6.681 259 2HB ASN 34 HB1 ASN 34 0.788 6.413 6.413 260 1HD2 ASN 34 HD2 ASN 34 1.144 4.189 4.189 261 2HD2 ASN 34 HD2 ASN 34 1.227 3.178 3.178 262 H GLN 35 H GLN 35 -1.460 7.944 7.944 263 HA GLN 35 HA GLN 35 -2.730 6.043 6.043 264 1HB GLN 35 HB2 GLN 35 -3.547 7.789 7.789 265 2HB GLN 35 HB1 GLN 35 -4.288 8.521 8.521 266 1HG GLN 35 HG2 GLN 35 -4.527 5.550 5.550 267 2HG GLN 35 HG1 GLN 35 -5.626 6.712 6.712 268 1HE2 GLN 35 HE2 GLN 35 -7.200 7.751 7.751 269 2HE2 GLN 35 HE2 GLN 35 -6.592 8.352 8.352 270 H THR 36 H THR 36 -1.569 9.291 9.291 271 HA THR 36 HA THR 36 -2.588 8.896 8.896 272 HB THR 36 HB THR 36 -2.653 11.552 11.552 273 HG1 THR 36 HG1 THR 36 -1.484 11.397 11.397 274 1HG2 THR 36 HG2 THR 36 -4.522 9.601 9.601 275 2HG2 THR 36 HG2 THR 36 -4.772 11.331 11.331 276 3HG2 THR 36 HG2 THR 36 -4.879 10.707 10.707 277 H LYS 37 H LYS 37 0.021 8.299 8.299 278 HA LYS 37 HA LYS 37 2.260 8.850 8.850 279 1HB LYS 37 HB2 LYS 37 1.476 8.121 8.121 280 2HB LYS 37 HB1 LYS 37 3.139 8.119 8.119 281 1HG LYS 37 HG2 LYS 37 1.973 6.620 6.620 282 2HG LYS 37 HG1 LYS 37 0.852 6.268 6.268 283 1HD LYS 37 HD2 LYS 37 3.885 5.957 5.957 284 2HD LYS 37 HD1 LYS 37 2.739 4.629 4.629 285 1HE LYS 37 HE2 LYS 37 2.724 6.442 6.442 286 2HE LYS 37 HE1 LYS 37 3.536 4.865 4.865 287 1HZ LYS 37 HZ1 LYS 37 0.655 5.347 5.347 288 2HZ LYS 37 HZ3 LYS 37 1.340 4.713 4.713 289 3HZ LYS 37 HZ2 LYS 37 1.404 3.865 3.865 290 H GLN 38 H GLN 38 0.867 11.270 11.270 291 HA GLN 38 HA GLN 38 2.734 12.974 12.974 292 1HB GLN 38 HB2 GLN 38 1.211 14.249 14.249 293 2HB GLN 38 HB1 GLN 38 0.767 12.561 12.561 294 1HG GLN 38 HG2 GLN 38 -0.875 12.927 12.927 295 2HG GLN 38 HG1 GLN 38 -0.655 14.646 14.646 296 1HE2 GLN 38 HE2 GLN 38 -2.266 12.114 12.114 297 2HE2 GLN 38 HE2 GLN 38 -0.970 11.588 11.588 298 H CYS 39 H CYS 39 1.152 15.410 15.410 299 HA CYS 39 HA CYS 39 1.259 15.441 15.441 300 1HB CYS 39 HB2 CYS 39 1.663 17.591 17.591 301 2HB CYS 39 HB1 CYS 39 1.413 17.952 17.952 302 HG CYS 39 HG CYS 39 4.169 16.684 16.684 303 H GLU 40 H GLU 40 -0.581 15.772 15.772 304 HA GLU 40 HA GLU 40 -2.953 16.656 16.656 305 1HB GLU 40 HB2 GLU 40 -2.968 14.946 14.946 306 2HB GLU 40 HB1 GLU 40 -4.350 15.337 15.337 307 1HG GLU 40 HG2 GLU 40 -2.855 14.224 14.224 308 2HG GLU 40 HG1 GLU 40 -2.018 13.480 13.480 309 H ARG 41 H ARG 41 -4.354 18.217 18.217 310 HA ARG 41 HA ARG 41 -3.019 19.995 19.995 311 1HB ARG 41 HB2 ARG 41 -5.123 20.194 20.194 312 2HB ARG 41 HB1 ARG 41 -5.799 20.671 20.671 313 1HG ARG 41 HG2 ARG 41 -4.330 22.479 22.479 314 2HG ARG 41 HG1 ARG 41 -3.108 21.747 21.747 315 1HD ARG 41 HD2 ARG 41 -3.915 23.166 23.166 316 2HD ARG 41 HD1 ARG 41 -5.291 22.050 22.050 317 HE ARG 41 HE ARG 41 -5.214 24.720 24.720 318 1HH1 ARG 41 HH1 ARG 41 -6.860 21.590 21.590 319 2HH1 ARG 41 HH1 ARG 41 -8.401 22.202 22.202 320 1HH2 ARG 41 HH2 ARG 41 -7.248 25.556 25.556 321 2HH2 ARG 41 HH2 ARG 41 -8.622 24.468 24.468 322 H PHE 42 H PHE 42 -3.024 19.673 19.673 323 HA PHE 42 HA PHE 42 -5.520 18.543 18.543 324 1HB PHE 42 HB2 PHE 42 -4.334 17.032 17.032 325 2HB PHE 42 HB1 PHE 42 -3.384 17.025 17.025 326 HD1 PHE 42 HD2 PHE 42 -1.365 18.776 18.776 327 HD2 PHE 42 HD1 PHE 42 -3.189 17.314 17.314 328 HE1 PHE 42 HE2 PHE 42 0.689 19.363 19.363 329 HE2 PHE 42 HE1 PHE 42 -1.133 17.905 17.905 330 HZ PHE 42 HZ PHE 42 0.808 18.928 18.928 331 H LYS 43 H LYS 43 -5.370 18.980 18.980 332 HA LYS 43 HA LYS 43 -4.671 21.837 21.837 333 1HB LYS 43 HB2 LYS 43 -6.118 21.125 21.125 334 2HB LYS 43 HB1 LYS 43 -6.729 21.960 21.960 335 1HG LYS 43 HG2 LYS 43 -6.582 18.929 18.929 336 2HG LYS 43 HG1 LYS 43 -8.020 19.875 19.875 337 1HD LYS 43 HD2 LYS 43 -7.150 20.707 20.707 338 2HD LYS 43 HD1 LYS 43 -7.186 18.933 18.933 339 1HE LYS 43 HE2 LYS 43 -9.529 19.082 19.082 340 2HE LYS 43 HE1 LYS 43 -9.458 20.838 20.838 341 1HZ LYS 43 HZ1 LYS 43 -9.167 18.788 18.788 342 2HZ LYS 43 HZ3 LYS 43 -10.523 19.720 19.720 343 3HZ LYS 43 HZ2 LYS 43 -9.116 20.431 20.431 344 H TYR 44 H TYR 44 -3.603 22.604 22.604 345 HA TYR 44 HA TYR 44 -2.036 20.393 20.393 346 1HB TYR 44 HB1 TYR 44 -0.612 21.544 21.544 347 2HB TYR 44 HB2 TYR 44 -1.015 23.104 23.104 348 HD1 TYR 44 HD2 TYR 44 -0.223 20.034 20.034 349 HD2 TYR 44 HD1 TYR 44 1.176 23.880 23.880 350 HE1 TYR 44 HE2 TYR 44 1.716 19.889 19.889 351 HE2 TYR 44 HE1 TYR 44 3.113 23.733 23.733 352 HH TYR 44 HH TYR 44 3.682 20.871 20.871 353 H GLY 45 H GLY 45 -3.115 20.280 20.280 354 1HA GLY 45 HA1 GLY 45 -4.214 22.504 22.504 355 2HA GLY 45 HA2 GLY 45 -3.786 20.936 20.936 356 H GLY 46 H GLY 46 -0.920 21.476 21.476 357 1HA GLY 46 HA1 GLY 46 1.074 22.089 22.089 358 2HA GLY 46 HA2 GLY 46 0.336 23.703 23.703 359 H CYS 47 H CYS 47 0.867 20.694 20.694 360 HA CYS 47 HA CYS 47 1.023 22.153 22.153 361 1HB CYS 47 HB2 CYS 47 -1.525 20.752 20.752 362 2HB CYS 47 HB1 CYS 47 -0.908 20.649 20.649 363 HG CYS 47 HG CYS 47 -1.871 22.971 22.971 364 H LEU 48 H LEU 48 0.391 18.986 18.986 365 HA LEU 48 HA LEU 48 2.767 17.909 17.909 366 1HB LEU 48 HB2 LEU 48 0.766 17.765 17.765 367 2HB LEU 48 HB1 LEU 48 0.291 16.387 16.387 368 HG LEU 48 HG LEU 48 3.087 16.333 16.333 369 1HD1 LEU 48 HD1 LEU 48 1.020 16.254 16.254 370 2HD1 LEU 48 HD1 LEU 48 2.725 15.750 15.750 371 3HD1 LEU 48 HD1 LEU 48 2.324 17.440 17.440 372 1HD2 LEU 48 HD2 LEU 48 1.940 14.394 14.394 373 2HD2 LEU 48 HD2 LEU 48 2.516 13.996 13.996 374 3HD2 LEU 48 HD2 LEU 48 0.800 14.350 14.350 375 H GLY 49 H GLY 49 1.674 18.507 18.507 376 1HA GLY 49 HA1 GLY 49 0.777 16.097 16.097 377 2HA GLY 49 HA2 GLY 49 1.477 17.522 17.522 378 H ASN 50 H ASN 50 2.964 16.555 16.555 379 HA ASN 50 HA ASN 50 5.294 15.297 15.297 380 1HB ASN 50 HB2 ASN 50 5.321 13.384 13.384 381 2HB ASN 50 HB1 ASN 50 3.694 13.442 13.442 382 1HD2 ASN 50 HD2 ASN 50 2.591 12.908 12.908 383 2HD2 ASN 50 HD2 ASN 50 2.892 12.212 12.212 384 H MET 51 H MET 51 6.491 14.455 14.455 385 HA MET 51 HA MET 51 7.569 16.973 16.973 386 1HB MET 51 HB2 MET 51 7.774 14.099 14.099 387 2HB MET 51 HB1 MET 51 8.486 15.408 15.408 388 1HG MET 51 HG2 MET 51 9.682 16.144 16.144 389 2HG MET 51 HG1 MET 51 9.146 14.608 14.608 390 1HE MET 51 HE1 MET 51 11.541 16.469 16.469 391 2HE MET 51 HE3 MET 51 12.129 15.182 15.182 392 3HE MET 51 HE2 MET 51 10.447 15.739 15.739 393 H ASN 52 H ASN 52 6.248 14.520 14.520 394 HA ASN 52 HA ASN 52 5.597 16.007 16.007 395 1HB ASN 52 HB2 ASN 52 4.847 13.544 13.544 396 2HB ASN 52 HB1 ASN 52 3.330 14.352 14.352 397 1HD2 ASN 52 HD2 ASN 52 2.761 13.268 13.268 398 2HD2 ASN 52 HD2 ASN 52 2.853 12.639 12.639 399 H ASN 53 H ASN 53 5.150 18.197 18.197 400 HA ASN 53 HA ASN 53 2.422 18.938 18.938 401 1HB ASN 53 HB2 ASN 53 2.689 18.658 18.658 402 2HB ASN 53 HB1 ASN 53 4.303 19.396 19.396 403 1HD2 ASN 53 HD2 ASN 53 3.150 22.609 22.609 404 2HD2 ASN 53 HD2 ASN 53 4.436 21.397 21.397 405 H PHE 54 H PHE 54 3.559 19.633 19.633 406 HA PHE 54 HA PHE 54 5.362 21.961 21.961 407 1HB PHE 54 HB2 PHE 54 3.908 20.835 20.835 408 2HB PHE 54 HB1 PHE 54 5.299 21.906 21.906 409 HD1 PHE 54 HD1 PHE 54 4.198 18.397 18.397 410 HD2 PHE 54 HD2 PHE 54 7.567 21.103 21.103 411 HE1 PHE 54 HE1 PHE 54 5.754 16.462 16.462 412 HE2 PHE 54 HE2 PHE 54 9.116 19.160 19.160 413 HZ PHE 54 HZ PHE 54 8.213 16.839 16.839 414 H GLU 55 H GLU 55 4.779 24.029 24.029 415 HA GLU 55 HA GLU 55 2.025 24.759 24.759 416 1HB GLU 55 HB2 GLU 55 4.453 26.464 26.464 417 2HB GLU 55 HB1 GLU 55 2.846 27.117 27.117 418 1HG GLU 55 HG2 GLU 55 3.401 25.274 25.274 419 2HG GLU 55 HG1 GLU 55 4.935 26.124 26.124 420 H THR 56 H THR 56 4.120 24.233 24.233 421 HA THR 56 HA THR 56 1.882 25.110 25.110 422 HB THR 56 HB THR 56 3.867 25.742 25.742 423 HG1 THR 56 HG1 THR 56 5.131 25.801 25.801 424 1HG2 THR 56 HG2 THR 56 3.007 27.175 27.175 425 2HG2 THR 56 HG2 THR 56 4.445 27.787 27.787 426 3HG2 THR 56 HG2 THR 56 2.886 27.741 27.741 427 H LEU 57 H LEU 57 1.448 23.764 23.764 428 HA LEU 57 HA LEU 57 2.000 21.037 21.037 429 1HB LEU 57 HB2 LEU 57 0.095 21.963 21.963 430 2HB LEU 57 HB1 LEU 57 1.174 22.472 22.472 431 HG LEU 57 HG LEU 57 1.770 19.871 19.871 432 1HD1 LEU 57 HD1 LEU 57 -1.150 19.984 19.984 433 2HD1 LEU 57 HD1 LEU 57 -0.308 18.524 18.524 434 3HD1 LEU 57 HD1 LEU 57 0.207 19.304 19.304 435 1HD2 LEU 57 HD2 LEU 57 1.100 21.079 21.079 436 2HD2 LEU 57 HD2 LEU 57 0.212 19.535 19.535 437 3HD2 LEU 57 HD2 LEU 57 -0.598 21.061 21.061 438 H GLU 58 H GLU 58 3.431 23.399 23.399 439 HA GLU 58 HA GLU 58 5.207 21.651 21.651 440 1HB GLU 58 HB2 GLU 58 4.681 24.298 24.298 441 2HB GLU 58 HB1 GLU 58 6.246 24.383 24.383 442 1HG GLU 58 HG2 GLU 58 7.231 22.911 22.911 443 2HG GLU 58 HG1 GLU 58 5.657 22.834 22.834 444 H GLU 59 H GLU 59 5.715 23.665 23.665 445 HA GLU 59 HA GLU 59 8.351 22.915 22.915 446 1HB GLU 59 HB2 GLU 59 7.233 24.679 24.679 447 2HB GLU 59 HB1 GLU 59 6.128 23.496 23.496 448 1HG GLU 59 HG2 GLU 59 7.663 22.890 22.890 449 2HG GLU 59 HG1 GLU 59 8.954 22.765 22.765 450 H CYS 60 H CYS 60 5.276 21.245 21.245 451 HA CYS 60 HA CYS 60 6.537 19.177 19.177 452 1HB CYS 60 HB2 CYS 60 4.238 19.604 19.604 453 2HB CYS 60 HB1 CYS 60 3.870 19.393 19.393 454 HG CYS 60 HG CYS 60 4.845 16.530 16.530 455 H LYS 61 H LYS 61 6.024 19.769 19.769 456 HA LYS 61 HA LYS 61 6.563 17.021 17.021 457 1HB LYS 61 HB2 LYS 61 6.651 19.392 19.392 458 2HB LYS 61 HB1 LYS 61 6.250 17.702 17.702 459 1HG LYS 61 HG2 LYS 61 4.405 18.405 18.405 460 2HG LYS 61 HG1 LYS 61 4.547 19.885 19.885 461 1HD LYS 61 HD2 LYS 61 2.886 18.761 18.761 462 2HD LYS 61 HD1 LYS 61 4.330 18.176 18.176 463 1HE LYS 61 HE2 LYS 61 4.219 16.302 16.302 464 2HE LYS 61 HE1 LYS 61 2.502 16.750 16.750 465 1HZ LYS 61 HZ1 LYS 61 4.089 15.904 15.904 466 2HZ LYS 61 HZ3 LYS 61 2.981 14.968 14.968 467 3HZ LYS 61 HZ2 LYS 61 2.478 16.305 16.305 468 H ASN 62 H ASN 62 8.340 20.171 20.171 469 HA ASN 62 HA ASN 62 10.729 19.268 19.268 470 1HB ASN 62 HB2 ASN 62 9.889 21.642 21.642 471 2HB ASN 62 HB1 ASN 62 10.957 21.101 21.101 472 1HD2 ASN 62 HD2 ASN 62 12.693 23.128 23.128 473 2HD2 ASN 62 HD2 ASN 62 11.149 23.326 23.326 474 H ILE 63 H ILE 63 9.772 19.327 19.327 475 HA ILE 63 HA ILE 63 12.201 18.057 18.057 476 HB ILE 63 HB ILE 63 9.595 18.703 18.703 477 1HG1 ILE 63 HG1 ILE 63 11.514 19.775 19.775 478 2HG1 ILE 63 HG1 ILE 63 12.396 19.709 19.709 479 1HG2 ILE 63 HG2 ILE 63 11.792 17.056 17.056 480 2HG2 ILE 63 HG2 ILE 63 10.415 17.802 17.802 481 3HG2 ILE 63 HG2 ILE 63 10.133 16.532 16.532 482 1HD1 ILE 63 HD1 ILE 63 9.661 21.011 21.011 483 2HD1 ILE 63 HD1 ILE 63 11.217 21.869 21.869 484 3HD1 ILE 63 HD1 ILE 63 10.543 20.965 20.965 485 H CYS 64 H CYS 64 8.781 16.883 16.883 486 HA CYS 64 HA CYS 64 9.634 14.143 14.143 487 1HB CYS 64 HB2 CYS 64 6.984 15.205 15.205 488 2HB CYS 64 HB1 CYS 64 7.319 13.563 13.563 489 HG CYS 64 HG CYS 64 6.102 15.976 15.976 490 H GLU 65 H GLU 65 7.496 15.188 15.188 491 HA GLU 65 HA GLU 65 8.093 13.389 13.389 492 1HB GLU 65 HB2 GLU 65 7.379 16.230 16.230 493 2HB GLU 65 HB1 GLU 65 8.261 15.686 15.686 494 1HG GLU 65 HG2 GLU 65 6.335 13.668 13.668 495 2HG GLU 65 HG1 GLU 65 5.512 15.240 15.240 496 H ASP 66 H ASP 66 10.283 16.044 16.044 497 HA ASP 66 HA ASP 66 12.466 16.495 16.495 498 1HB ASP 66 HB2 ASP 66 13.976 14.586 14.586 499 2HB ASP 66 HB1 ASP 66 12.778 14.458 14.458 500 H GLY 67 H GLY 67 12.335 17.537 17.537 501 1HA GLY 67 HA1 GLY 67 12.286 15.840 15.840 502 2HA GLY 67 HA2 GLY 67 12.047 17.597 17.597 503 HA PRO 68 HA PRO 68 16.378 17.125 17.125 504 1HB PRO 68 HB2 PRO 68 16.304 19.384 19.384 505 2HB PRO 68 HB1 PRO 68 15.933 17.730 17.730 506 1HG PRO 68 HG2 PRO 68 14.132 20.006 20.006 507 2HG PRO 68 HG1 PRO 68 13.854 18.506 18.506 508 1HD PRO 68 HD2 PRO 68 12.881 19.163 19.163 509 2HD PRO 68 HD1 PRO 68 12.701 17.631 17.631 510 H ASN 69 H ASN 69 14.695 20.178 20.178 511 HA ASN 69 HA ASN 69 16.875 21.758 21.758 512 1HB ASN 69 HB2 ASN 69 14.068 21.466 21.466 513 2HB ASN 69 HB1 ASN 69 15.191 22.316 22.316 514 1HD2 ASN 69 HD2 ASN 69 14.698 23.822 23.822 515 2HD2 ASN 69 HD2 ASN 69 14.847 22.090 22.090 516 H GLY 70 H GLY 70 17.398 22.370 22.370 517 1HA GLY 70 HA1 GLY 70 19.105 20.579 20.579 518 2HA GLY 70 HA2 GLY 70 18.136 21.688 21.688 519 H PHE 71 H PHE 71 15.914 20.932 20.932 520 HA PHE 71 HA PHE 71 14.910 18.306 18.306 521 1HB PHE 71 HB2 PHE 71 17.348 18.254 18.254 522 2HB PHE 71 HB1 PHE 71 16.092 18.110 18.110 523 HD1 PHE 71 HD1 PHE 71 14.433 16.216 16.216 524 HD2 PHE 71 HD2 PHE 71 17.789 16.423 16.423 525 HE1 PHE 71 HE1 PHE 71 14.163 13.803 13.803 526 HE2 PHE 71 HE2 PHE 71 17.511 14.008 14.008 527 HZ PHE 71 HZ PHE 71 15.698 12.695 12.695 Start of MODEL 9 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 3.105 0.409 0.409 3 1HB ASP 1 HB2 ASP 1 1.469 -1.497 -1.497 4 2HB ASP 1 HB1 ASP 1 3.215 -1.487 -1.487 5 H TYR 2 H TYR 2 2.856 0.480 0.480 6 HA TYR 2 HA TYR 2 0.394 1.393 1.393 7 1HB TYR 2 HB1 TYR 2 1.632 3.304 3.304 8 2HB TYR 2 HB2 TYR 2 1.847 3.899 3.899 9 HD1 TYR 2 HD2 TYR 2 -0.492 3.369 3.369 10 HD2 TYR 2 HD1 TYR 2 -0.222 4.304 4.304 11 HE1 TYR 2 HE2 TYR 2 -2.816 4.235 4.235 12 HE2 TYR 2 HE1 TYR 2 -2.545 5.170 5.170 13 HH TYR 2 HH TYR 2 -4.729 4.677 4.677 14 H LYS 3 H LYS 3 0.538 1.655 1.655 15 HA LYS 3 HA LYS 3 3.262 1.240 1.240 16 1HB LYS 3 HB2 LYS 3 0.564 0.797 0.797 17 2HB LYS 3 HB1 LYS 3 2.137 0.462 0.462 18 1HG LYS 3 HG2 LYS 3 2.098 -0.770 -0.770 19 2HG LYS 3 HG1 LYS 3 0.585 -1.194 -1.194 20 1HD LYS 3 HD2 LYS 3 2.310 -2.859 -2.859 21 2HD LYS 3 HD1 LYS 3 1.914 -1.942 -1.942 22 1HE LYS 3 HE2 LYS 3 3.994 -0.495 -0.495 23 2HE LYS 3 HE1 LYS 3 4.460 -2.202 -2.202 24 1HZ LYS 3 HZ1 LYS 3 3.679 -0.820 -0.820 25 2HZ LYS 3 HZ3 LYS 3 5.235 -1.221 -1.221 26 3HZ LYS 3 HZ2 LYS 3 4.130 -2.414 -2.414 27 H ASP 4 H ASP 4 4.333 2.810 2.810 28 HA ASP 4 HA ASP 4 3.199 5.455 5.455 29 1HB ASP 4 HB2 ASP 4 5.698 4.088 4.088 30 2HB ASP 4 HB1 ASP 4 5.275 5.668 5.668 31 H ASP 5 H ASP 5 4.756 3.836 3.836 32 HA ASP 5 HA ASP 5 4.181 3.927 3.927 33 1HB ASP 5 HB2 ASP 5 1.574 3.153 3.153 34 2HB ASP 5 HB1 ASP 5 1.750 3.240 3.240 35 H ASP 6 H ASP 6 3.906 6.453 6.453 36 HA ASP 6 HA ASP 6 3.258 8.611 8.611 37 1HB ASP 6 HB2 ASP 6 1.700 7.869 7.869 38 2HB ASP 6 HB1 ASP 6 2.754 9.267 9.267 39 H ASP 7 H ASP 7 0.618 6.541 6.541 40 HA ASP 7 HA ASP 7 -1.661 6.674 6.674 41 1HB ASP 7 HB2 ASP 7 -0.476 5.730 5.730 42 2HB ASP 7 HB1 ASP 7 -1.232 7.189 7.189 43 H LYS 8 H LYS 8 -3.311 7.950 7.950 44 HA LYS 8 HA LYS 8 -2.556 10.799 10.799 45 1HB LYS 8 HB2 LYS 8 -5.168 11.054 11.054 46 2HB LYS 8 HB1 LYS 8 -3.982 10.816 10.816 47 1HG LYS 8 HG2 LYS 8 -4.554 8.537 8.537 48 2HG LYS 8 HG1 LYS 8 -5.290 8.446 8.446 49 1HD LYS 8 HD2 LYS 8 -7.298 9.267 9.267 50 2HD LYS 8 HD1 LYS 8 -6.530 10.406 10.406 51 1HE LYS 8 HE2 LYS 8 -6.314 8.765 8.765 52 2HE LYS 8 HE1 LYS 8 -6.472 7.424 7.424 53 1HZ LYS 8 HZ1 LYS 8 -8.615 9.311 9.311 54 2HZ LYS 8 HZ3 LYS 8 -8.454 7.736 7.736 55 3HZ LYS 8 HZ2 LYS 8 -8.776 8.049 8.049 56 H LEU 9 H LEU 9 -5.776 9.766 9.766 57 HA LEU 9 HA LEU 9 -5.075 9.539 9.539 58 1HB LEU 9 HB2 LEU 9 -4.922 11.995 11.995 59 2HB LEU 9 HB1 LEU 9 -6.682 11.955 11.955 60 HG LEU 9 HG LEU 9 -7.024 12.151 12.151 61 1HD1 LEU 9 HD1 LEU 9 -5.024 9.902 9.902 62 2HD1 LEU 9 HD1 LEU 9 -6.111 10.585 10.585 63 3HD1 LEU 9 HD1 LEU 9 -6.783 9.745 9.745 64 1HD2 LEU 9 HD2 LEU 9 -5.109 13.683 13.683 65 2HD2 LEU 9 HD2 LEU 9 -5.156 12.853 12.853 66 3HD2 LEU 9 HD2 LEU 9 -3.990 12.348 12.348 67 H LYS 10 H LYS 10 -8.010 10.917 10.917 68 HA LYS 10 HA LYS 10 -9.446 8.505 8.505 69 1HB LYS 10 HB2 LYS 10 -8.989 9.264 9.264 70 2HB LYS 10 HB1 LYS 10 -10.717 9.483 9.483 71 1HG LYS 10 HG2 LYS 10 -9.789 7.018 7.018 72 2HG LYS 10 HG1 LYS 10 -9.303 7.053 7.053 73 1HD LYS 10 HD2 LYS 10 -11.525 7.164 7.164 74 2HD LYS 10 HD1 LYS 10 -12.115 7.838 7.838 75 1HE LYS 10 HE2 LYS 10 -10.973 5.027 5.027 76 2HE LYS 10 HE1 LYS 10 -12.678 5.356 5.356 77 1HZ LYS 10 HZ1 LYS 10 -11.292 6.010 6.010 78 2HZ LYS 10 HZ3 LYS 10 -12.350 4.740 4.740 79 3HZ LYS 10 HZ2 LYS 10 -12.893 6.307 6.307 80 HA PRO 11 HA PRO 11 -12.025 11.452 11.452 81 1HB PRO 11 HB2 PRO 11 -14.324 9.830 9.830 82 2HB PRO 11 HB1 PRO 11 -12.938 9.771 9.771 83 1HG PRO 11 HG2 PRO 11 -13.764 7.875 7.875 84 2HG PRO 11 HG1 PRO 11 -12.661 7.647 7.647 85 1HD PRO 11 HD2 PRO 11 -11.962 8.003 8.003 86 2HD PRO 11 HD1 PRO 11 -10.872 7.880 7.880 87 H ASP 12 H ASP 12 -12.508 13.148 13.148 88 HA ASP 12 HA ASP 12 -13.877 12.961 12.961 89 1HB ASP 12 HB2 ASP 12 -14.089 15.359 15.359 90 2HB ASP 12 HB1 ASP 12 -13.956 15.298 15.298 91 H PHE 13 H PHE 13 -14.981 13.121 13.121 92 HA PHE 13 HA PHE 13 -17.658 14.028 14.028 93 1HB PHE 13 HB2 PHE 13 -18.056 13.140 13.140 94 2HB PHE 13 HB1 PHE 13 -16.369 13.624 13.624 95 HD1 PHE 13 HD1 PHE 13 -18.439 10.535 10.535 96 HD2 PHE 13 HD2 PHE 13 -14.762 12.169 12.169 97 HE1 PHE 13 HE1 PHE 13 -17.742 8.266 8.266 98 HE2 PHE 13 HE2 PHE 13 -14.072 9.896 9.896 99 HZ PHE 13 HZ PHE 13 -15.560 7.942 7.942 100 H CYS 14 H CYS 14 -16.065 10.924 10.924 101 HA CYS 14 HA CYS 14 -18.440 9.377 9.377 102 1HB CYS 14 HB2 CYS 14 -15.658 9.117 9.117 103 2HB CYS 14 HB1 CYS 14 -16.927 8.003 8.003 104 HG CYS 14 HG CYS 14 -15.581 8.319 8.319 105 H PHE 15 H PHE 15 -16.702 11.500 11.500 106 HA PHE 15 HA PHE 15 -18.505 10.804 10.804 107 1HB PHE 15 HB2 PHE 15 -16.535 13.074 13.074 108 2HB PHE 15 HB1 PHE 15 -17.092 12.114 12.114 109 HD1 PHE 15 HD1 PHE 15 -16.625 9.358 9.358 110 HD2 PHE 15 HD2 PHE 15 -14.247 12.756 12.756 111 HE1 PHE 15 HE1 PHE 15 -14.620 7.901 7.901 112 HE2 PHE 15 HE2 PHE 15 -12.246 11.291 11.291 113 HZ PHE 15 HZ PHE 15 -12.429 8.863 8.863 114 H LEU 16 H LEU 16 -19.109 12.330 12.330 115 HA LEU 16 HA LEU 16 -20.222 14.787 14.787 116 1HB LEU 16 HB2 LEU 16 -19.159 14.076 14.076 117 2HB LEU 16 HB1 LEU 16 -20.899 14.237 14.237 118 HG LEU 16 HG LEU 16 -20.539 16.473 16.473 119 1HD1 LEU 16 HD1 LEU 16 -17.797 16.008 16.008 120 2HD1 LEU 16 HD1 LEU 16 -18.377 17.563 17.563 121 3HD1 LEU 16 HD1 LEU 16 -18.173 16.161 16.161 122 1HD2 LEU 16 HD2 LEU 16 -21.459 16.363 16.363 123 2HD2 LEU 16 HD2 LEU 16 -20.269 17.689 17.689 124 3HD2 LEU 16 HD2 LEU 16 -19.832 16.160 16.160 125 H GLU 17 H GLU 17 -22.433 15.248 15.248 126 HA GLU 17 HA GLU 17 -24.114 13.133 13.133 127 1HB GLU 17 HB2 GLU 17 -25.990 14.913 14.913 128 2HB GLU 17 HB1 GLU 17 -24.819 15.176 15.176 129 1HG GLU 17 HG2 GLU 17 -23.673 16.831 16.831 130 2HG GLU 17 HG1 GLU 17 -24.196 16.201 16.201 131 H GLU 18 H GLU 18 -25.937 12.128 12.128 132 HA GLU 18 HA GLU 18 -25.435 11.463 11.463 133 1HB GLU 18 HB2 GLU 18 -27.217 9.987 9.987 134 2HB GLU 18 HB1 GLU 18 -26.758 10.180 10.180 135 1HG GLU 18 HG2 GLU 18 -28.517 12.222 12.222 136 2HG GLU 18 HG1 GLU 18 -29.169 11.179 11.179 137 H ASP 19 H ASP 19 -26.480 12.062 12.062 138 HA ASP 19 HA ASP 19 -28.392 14.338 14.338 139 1HB ASP 19 HB2 ASP 19 -26.030 15.131 15.131 140 2HB ASP 19 HB1 ASP 19 -26.065 14.161 14.161 141 HA PRO 20 HA PRO 20 -30.081 11.408 11.408 142 1HB PRO 20 HB2 PRO 20 -32.748 12.200 12.200 143 2HB PRO 20 HB1 PRO 20 -31.896 10.943 10.943 144 1HG PRO 20 HG2 PRO 20 -32.609 13.689 13.689 145 2HG PRO 20 HG1 PRO 20 -32.149 12.304 12.304 146 1HD PRO 20 HD2 PRO 20 -30.532 14.561 14.561 147 2HD PRO 20 HD1 PRO 20 -30.056 13.120 13.120 148 H GLY 21 H GLY 21 -29.645 14.681 14.681 149 1HA GLY 21 HA1 GLY 21 -29.842 16.264 16.264 150 2HA GLY 21 HA2 GLY 21 -29.919 14.906 14.906 151 H ILE 22 H ILE 22 -31.571 17.597 17.597 152 HA ILE 22 HA ILE 22 -34.133 17.106 17.106 153 HB ILE 22 HB ILE 22 -34.542 18.928 18.928 154 1HG1 ILE 22 HG1 ILE 22 -31.672 19.483 19.483 155 2HG1 ILE 22 HG1 ILE 22 -32.068 18.560 18.560 156 1HG2 ILE 22 HG2 ILE 22 -33.257 19.389 19.389 157 2HG2 ILE 22 HG2 ILE 22 -34.081 20.639 20.639 158 3HG2 ILE 22 HG2 ILE 22 -34.992 19.249 19.249 159 1HD1 ILE 22 HD1 ILE 22 -33.045 21.387 21.387 160 2HD1 ILE 22 HD1 ILE 22 -31.755 20.963 20.963 161 3HD1 ILE 22 HD1 ILE 22 -33.432 20.478 20.478 162 H CYS 23 H CYS 23 -34.817 15.024 15.024 163 HA CYS 23 HA CYS 23 -36.104 15.004 15.004 164 1HB CYS 23 HB2 CYS 23 -33.471 14.131 14.131 165 2HB CYS 23 HB1 CYS 23 -34.421 12.635 12.635 166 HG CYS 23 HG CYS 23 -35.671 14.712 14.712 167 H ARG 24 H ARG 24 -36.247 12.049 12.049 168 HA ARG 24 HA ARG 24 -37.316 11.286 11.286 169 1HB ARG 24 HB2 ARG 24 -39.445 10.444 10.444 170 2HB ARG 24 HB1 ARG 24 -39.356 12.154 12.154 171 1HG ARG 24 HG2 ARG 24 -39.665 12.705 12.705 172 2HG ARG 24 HG1 ARG 24 -38.108 11.944 11.944 173 1HD ARG 24 HD2 ARG 24 -39.147 9.870 9.870 174 2HD ARG 24 HD1 ARG 24 -40.658 10.310 10.310 175 HE ARG 24 HE ARG 24 -39.847 10.953 10.953 176 1HH1 ARG 24 HH1 ARG 24 -41.735 12.078 12.078 177 2HH1 ARG 24 HH1 ARG 24 -42.854 13.055 13.055 178 1HH2 ARG 24 HH2 ARG 24 -41.320 12.242 12.242 179 2HH2 ARG 24 HH2 ARG 24 -42.617 13.148 13.148 180 H GLY 25 H GLY 25 -36.761 10.512 10.512 181 1HA GLY 25 HA1 GLY 25 -37.070 7.839 7.839 182 2HA GLY 25 HA2 GLY 25 -35.613 8.647 8.647 183 H TYR 26 H TYR 26 -37.043 6.739 6.739 184 HA TYR 26 HA TYR 26 -34.515 6.762 6.762 185 1HB TYR 26 HB1 TYR 26 -37.040 5.081 5.081 186 2HB TYR 26 HB2 TYR 26 -35.694 5.155 5.155 187 HD1 TYR 26 HD2 TYR 26 -35.250 8.271 8.271 188 HD2 TYR 26 HD1 TYR 26 -38.677 5.837 5.837 189 HE1 TYR 26 HE2 TYR 26 -36.277 10.202 10.202 190 HE2 TYR 26 HE1 TYR 26 -39.701 7.767 7.767 191 HH TYR 26 HH TYR 26 -38.878 10.896 10.896 192 H ILE 27 H ILE 27 -33.043 5.023 5.023 193 HA ILE 27 HA ILE 27 -33.502 2.684 2.684 194 HB ILE 27 HB ILE 27 -30.986 4.262 4.262 195 1HG1 ILE 27 HG1 ILE 27 -33.392 4.334 4.334 196 2HG1 ILE 27 HG1 ILE 27 -32.947 5.622 5.622 197 1HG2 ILE 27 HG2 ILE 27 -32.232 2.032 2.032 198 2HG2 ILE 27 HG2 ILE 27 -30.742 2.919 2.919 199 3HG2 ILE 27 HG2 ILE 27 -30.797 1.914 1.914 200 1HD1 ILE 27 HD1 ILE 27 -31.214 4.590 4.590 201 2HD1 ILE 27 HD1 ILE 27 -32.137 6.118 6.118 202 3HD1 ILE 27 HD1 ILE 27 -30.767 5.891 5.891 203 H THR 28 H THR 28 -33.276 3.457 3.457 204 HA THR 28 HA THR 28 -32.166 2.788 2.788 205 HB THR 28 HB THR 28 -32.125 0.215 0.215 206 HG1 THR 28 HG1 THR 28 -33.870 1.322 1.322 207 1HG2 THR 28 HG2 THR 28 -31.537 0.882 0.882 208 2HG2 THR 28 HG2 THR 28 -32.570 -0.524 -0.524 209 3HG2 THR 28 HG2 THR 28 -30.917 -0.482 -0.482 210 H ARG 29 H ARG 29 -30.399 4.360 4.360 211 HA ARG 29 HA ARG 29 -27.908 3.066 3.066 212 1HB ARG 29 HB2 ARG 29 -28.589 5.988 5.988 213 2HB ARG 29 HB1 ARG 29 -26.992 5.408 5.408 214 1HG ARG 29 HG2 ARG 29 -29.610 5.131 5.131 215 2HG ARG 29 HG1 ARG 29 -28.282 6.243 6.243 216 1HD ARG 29 HD2 ARG 29 -26.781 4.278 4.278 217 2HD ARG 29 HD1 ARG 29 -28.135 3.191 3.191 218 HE ARG 29 HE ARG 29 -29.101 3.683 3.683 219 1HH1 ARG 29 HH1 ARG 29 -26.305 5.751 5.751 220 2HH1 ARG 29 HH1 ARG 29 -26.180 6.371 6.371 221 1HH2 ARG 29 HH2 ARG 29 -28.956 4.492 4.492 222 2HH2 ARG 29 HH2 ARG 29 -27.694 5.653 5.653 223 H TYR 30 H TYR 30 -25.852 3.702 3.702 224 HA TYR 30 HA TYR 30 -26.579 3.756 3.756 225 1HB TYR 30 HB1 TYR 30 -24.229 2.292 2.292 226 2HB TYR 30 HB2 TYR 30 -24.635 2.293 2.293 227 HD1 TYR 30 HD1 TYR 30 -26.312 1.445 1.445 228 HD2 TYR 30 HD2 TYR 30 -25.782 0.478 0.478 229 HE1 TYR 30 HE1 TYR 30 -27.744 -0.559 -0.559 230 HE2 TYR 30 HE2 TYR 30 -27.215 -1.526 -1.526 231 HH TYR 30 HH TYR 30 -27.874 -3.086 -3.086 232 H PHE 31 H PHE 31 -24.772 4.603 4.603 233 HA PHE 31 HA PHE 31 -22.804 6.394 6.394 234 1HB PHE 31 HB2 PHE 31 -23.706 8.436 8.436 235 2HB PHE 31 HB1 PHE 31 -25.072 7.582 7.582 236 HD1 PHE 31 HD2 PHE 31 -26.577 6.188 6.188 237 HD2 PHE 31 HD1 PHE 31 -24.015 9.501 9.501 238 HE1 PHE 31 HE2 PHE 31 -27.912 6.556 6.556 239 HE2 PHE 31 HE1 PHE 31 -25.355 9.861 9.861 240 HZ PHE 31 HZ PHE 31 -27.305 8.392 8.392 241 H TYR 32 H TYR 32 -21.152 6.958 6.958 242 HA TYR 32 HA TYR 32 -21.138 5.327 5.327 243 1HB TYR 32 HB1 TYR 32 -19.125 5.865 5.865 244 2HB TYR 32 HB2 TYR 32 -19.139 7.477 7.477 245 HD1 TYR 32 HD2 TYR 32 -18.530 7.893 7.893 246 HD2 TYR 32 HD1 TYR 32 -18.342 3.925 3.925 247 HE1 TYR 32 HE2 TYR 32 -17.138 7.138 7.138 248 HE2 TYR 32 HE1 TYR 32 -16.951 3.171 3.171 249 HH TYR 32 HH TYR 32 -16.390 5.136 5.136 250 H ASN 33 H ASN 33 -22.792 6.034 6.034 251 HA ASN 33 HA ASN 33 -23.030 8.874 8.874 252 1HB ASN 33 HB2 ASN 33 -24.860 6.940 6.940 253 2HB ASN 33 HB1 ASN 33 -24.220 6.642 6.642 254 1HD2 ASN 33 HD2 ASN 33 -27.035 8.915 8.915 255 2HD2 ASN 33 HD2 ASN 33 -26.693 7.234 7.234 256 H ASN 34 H ASN 34 -21.750 9.923 9.923 257 HA ASN 34 HA ASN 34 -19.824 8.548 8.548 258 1HB ASN 34 HB2 ASN 34 -19.688 10.864 10.864 259 2HB ASN 34 HB1 ASN 34 -19.303 10.804 10.804 260 1HD2 ASN 34 HD2 ASN 34 -22.505 12.903 12.903 261 2HD2 ASN 34 HD2 ASN 34 -21.434 11.905 11.905 262 H GLN 35 H GLN 35 -23.178 9.575 9.575 263 HA GLN 35 HA GLN 35 -23.379 9.804 9.804 264 1HB GLN 35 HB2 GLN 35 -25.191 9.661 9.661 265 2HB GLN 35 HB1 GLN 35 -25.434 8.054 8.054 266 1HG GLN 35 HG2 GLN 35 -26.888 9.240 9.240 267 2HG GLN 35 HG1 GLN 35 -25.403 9.524 9.524 268 1HE2 GLN 35 HE2 GLN 35 -26.839 12.498 12.498 269 2HE2 GLN 35 HE2 GLN 35 -27.000 10.781 10.781 270 H THR 36 H THR 36 -23.226 6.748 6.748 271 HA THR 36 HA THR 36 -22.815 5.287 5.287 272 HB THR 36 HB THR 36 -23.677 3.281 3.281 273 HG1 THR 36 HG1 THR 36 -23.147 3.596 3.596 274 1HG2 THR 36 HG2 THR 36 -25.234 5.884 5.884 275 2HG2 THR 36 HG2 THR 36 -25.881 4.548 4.548 276 3HG2 THR 36 HG2 THR 36 -25.660 4.333 4.333 277 H LYS 37 H LYS 37 -21.247 6.613 6.613 278 HA LYS 37 HA LYS 37 -19.144 6.431 6.431 279 1HB LYS 37 HB2 LYS 37 -18.846 4.907 4.907 280 2HB LYS 37 HB1 LYS 37 -17.494 5.016 5.016 281 1HG LYS 37 HG2 LYS 37 -17.095 7.185 7.185 282 2HG LYS 37 HG1 LYS 37 -18.817 7.605 7.605 283 1HD LYS 37 HD2 LYS 37 -18.264 7.972 7.972 284 2HD LYS 37 HD1 LYS 37 -19.016 6.364 6.364 285 1HE LYS 37 HE2 LYS 37 -16.125 7.149 7.149 286 2HE LYS 37 HE1 LYS 37 -17.092 5.977 5.977 287 1HZ LYS 37 HZ1 LYS 37 -16.135 5.638 5.638 288 2HZ LYS 37 HZ3 LYS 37 -15.491 4.911 4.911 289 3HZ LYS 37 HZ2 LYS 37 -17.026 4.528 4.528 290 H GLN 38 H GLN 38 -21.133 4.891 4.891 291 HA GLN 38 HA GLN 38 -19.501 2.852 2.852 292 1HB GLN 38 HB2 GLN 38 -21.182 2.043 2.043 293 2HB GLN 38 HB1 GLN 38 -21.941 1.473 1.473 294 1HG GLN 38 HG2 GLN 38 -19.513 0.672 0.672 295 2HG GLN 38 HG1 GLN 38 -19.203 0.840 0.840 296 1HE2 GLN 38 HE2 GLN 38 -20.616 -2.218 -2.218 297 2HE2 GLN 38 HE2 GLN 38 -19.547 -0.859 -0.859 298 H CYS 39 H CYS 39 -21.076 1.581 1.581 299 HA CYS 39 HA CYS 39 -22.319 3.740 3.740 300 1HB CYS 39 HB2 CYS 39 -21.811 0.824 0.824 301 2HB CYS 39 HB1 CYS 39 -22.760 1.846 1.846 302 HG CYS 39 HG CYS 39 -19.383 1.863 1.863 303 H GLU 40 H GLU 40 -24.417 4.320 4.320 304 HA GLU 40 HA GLU 40 -26.280 2.271 2.271 305 1HB GLU 40 HB2 GLU 40 -26.013 5.212 5.212 306 2HB GLU 40 HB1 GLU 40 -27.653 4.534 4.534 307 1HG GLU 40 HG2 GLU 40 -27.348 3.830 3.830 308 2HG GLU 40 HG1 GLU 40 -26.079 2.736 2.736 309 H ARG 41 H ARG 41 -28.365 2.057 2.057 310 HA ARG 41 HA ARG 41 -28.340 2.681 2.681 311 1HB ARG 41 HB2 ARG 41 -29.794 0.905 0.905 312 2HB ARG 41 HB1 ARG 41 -30.925 1.791 1.791 313 1HG ARG 41 HG2 ARG 41 -30.234 0.687 0.687 314 2HG ARG 41 HG1 ARG 41 -28.526 0.758 0.758 315 1HD ARG 41 HD2 ARG 41 -30.643 -1.209 -1.209 316 2HD ARG 41 HD1 ARG 41 -29.238 -1.579 -1.579 317 HE ARG 41 HE ARG 41 -28.209 -0.373 -0.373 318 1HH1 ARG 41 HH1 ARG 41 -30.154 -3.220 -3.220 319 2HH1 ARG 41 HH1 ARG 41 -29.588 -4.184 -4.184 320 1HH2 ARG 41 HH2 ARG 41 -27.443 -1.632 -1.632 321 2HH2 ARG 41 HH2 ARG 41 -28.039 -3.277 -3.277 322 H PHE 42 H PHE 42 -29.265 4.399 4.399 323 HA PHE 42 HA PHE 42 -31.414 5.942 5.942 324 1HB PHE 42 HB2 PHE 42 -30.282 7.914 7.914 325 2HB PHE 42 HB1 PHE 42 -28.969 6.803 6.803 326 HD1 PHE 42 HD2 PHE 42 -27.494 5.988 5.988 327 HD2 PHE 42 HD1 PHE 42 -30.042 9.480 9.480 328 HE1 PHE 42 HE2 PHE 42 -26.174 6.889 6.889 329 HE2 PHE 42 HE1 PHE 42 -28.717 10.372 10.372 330 HZ PHE 42 HZ PHE 42 -26.782 9.081 9.081 331 H LYS 43 H LYS 43 -32.584 7.356 7.356 332 HA LYS 43 HA LYS 43 -32.854 6.114 6.114 333 1HB LYS 43 HB2 LYS 43 -34.403 7.825 7.825 334 2HB LYS 43 HB1 LYS 43 -34.313 8.550 8.550 335 1HG LYS 43 HG2 LYS 43 -36.200 7.098 7.098 336 2HG LYS 43 HG1 LYS 43 -34.906 6.204 6.204 337 1HD LYS 43 HD2 LYS 43 -35.841 4.598 4.598 338 2HD LYS 43 HD1 LYS 43 -34.431 5.184 5.184 339 1HE LYS 43 HE2 LYS 43 -35.879 6.694 6.694 340 2HE LYS 43 HE1 LYS 43 -37.288 6.202 6.202 341 1HZ LYS 43 HZ1 LYS 43 -35.658 4.431 4.431 342 2HZ LYS 43 HZ3 LYS 43 -37.168 5.041 5.041 343 3HZ LYS 43 HZ2 LYS 43 -36.985 3.965 3.965 344 H TYR 44 H TYR 44 -32.813 7.422 7.422 345 HA TYR 44 HA TYR 44 -30.584 9.406 9.406 346 1HB TYR 44 HB1 TYR 44 -29.773 7.318 7.318 347 2HB TYR 44 HB2 TYR 44 -31.121 7.290 7.290 348 HD1 TYR 44 HD2 TYR 44 -30.012 10.662 10.662 349 HD2 TYR 44 HD1 TYR 44 -29.059 6.972 6.972 350 HE1 TYR 44 HE2 TYR 44 -28.693 11.929 11.929 351 HE2 TYR 44 HE1 TYR 44 -27.741 8.240 8.240 352 HH TYR 44 HH TYR 44 -27.247 11.789 11.789 353 H GLY 45 H GLY 45 -31.902 8.788 8.788 354 1HA GLY 45 HA1 GLY 45 -34.134 10.024 10.024 355 2HA GLY 45 HA2 GLY 45 -33.276 11.435 11.435 356 H GLY 46 H GLY 46 -30.928 11.702 11.702 357 1HA GLY 46 HA1 GLY 46 -29.623 11.047 11.047 358 2HA GLY 46 HA2 GLY 46 -31.145 11.270 11.270 359 H CYS 47 H CYS 47 -32.270 13.533 13.533 360 HA CYS 47 HA CYS 47 -31.146 15.594 15.594 361 1HB CYS 47 HB2 CYS 47 -32.513 15.662 15.662 362 2HB CYS 47 HB1 CYS 47 -32.084 17.133 17.133 363 HG CYS 47 HG CYS 47 -34.158 17.111 17.111 364 H LEU 48 H LEU 48 -28.908 15.739 15.739 365 HA LEU 48 HA LEU 48 -26.779 15.578 15.578 366 1HB LEU 48 HB2 LEU 48 -27.339 17.656 17.656 367 2HB LEU 48 HB1 LEU 48 -27.743 18.404 18.404 368 HG LEU 48 HG LEU 48 -25.649 19.162 19.162 369 1HD1 LEU 48 HD1 LEU 48 -25.088 16.351 16.351 370 2HD1 LEU 48 HD1 LEU 48 -23.985 17.745 17.745 371 3HD1 LEU 48 HD1 LEU 48 -25.570 17.763 17.763 372 1HD2 LEU 48 HD2 LEU 48 -25.242 18.291 18.291 373 2HD2 LEU 48 HD2 LEU 48 -23.789 18.058 18.058 374 3HD2 LEU 48 HD2 LEU 48 -24.859 16.687 16.687 375 H GLY 49 H GLY 49 -26.549 14.403 14.403 376 1HA GLY 49 HA1 GLY 49 -27.506 15.660 15.660 377 2HA GLY 49 HA2 GLY 49 -27.149 13.939 13.939 378 H ASN 50 H ASN 50 -25.613 13.820 13.820 379 HA ASN 50 HA ASN 50 -23.216 15.566 15.566 380 1HB ASN 50 HB2 ASN 50 -22.690 14.934 14.934 381 2HB ASN 50 HB1 ASN 50 -24.433 15.268 15.268 382 1HD2 ASN 50 HD2 ASN 50 -23.992 12.150 12.150 383 2HD2 ASN 50 HD2 ASN 50 -23.615 13.871 13.871 384 H MET 51 H MET 51 -21.476 13.721 13.721 385 HA MET 51 HA MET 51 -20.926 11.850 11.850 386 1HB MET 51 HB2 MET 51 -18.979 12.088 12.088 387 2HB MET 51 HB1 MET 51 -18.716 12.149 12.149 388 1HG MET 51 HG2 MET 51 -19.845 14.504 14.504 389 2HG MET 51 HG1 MET 51 -19.540 14.382 14.382 390 1HE MET 51 HE1 MET 51 -18.061 14.710 14.710 391 2HE MET 51 HE3 MET 51 -16.320 14.403 14.403 392 3HE MET 51 HE2 MET 51 -17.493 13.083 13.083 393 H ASN 52 H ASN 52 -21.255 12.030 12.030 394 HA ASN 52 HA ASN 52 -20.847 9.232 9.232 395 1HB ASN 52 HB2 ASN 52 -20.983 11.314 11.314 396 2HB ASN 52 HB1 ASN 52 -22.706 10.891 10.891 397 1HD2 ASN 52 HD2 ASN 52 -21.767 8.876 8.876 398 2HD2 ASN 52 HD2 ASN 52 -22.481 10.398 10.398 399 H ASN 53 H ASN 53 -22.233 8.746 8.746 400 HA ASN 53 HA ASN 53 -24.891 7.894 7.894 401 1HB ASN 53 HB2 ASN 53 -25.480 9.920 9.920 402 2HB ASN 53 HB1 ASN 53 -24.362 9.539 9.539 403 1HD2 ASN 53 HD2 ASN 53 -26.694 7.774 7.774 404 2HD2 ASN 53 HD2 ASN 53 -25.157 8.635 8.635 405 H PHE 54 H PHE 54 -23.368 5.932 5.932 406 HA PHE 54 HA PHE 54 -22.553 4.758 4.758 407 1HB PHE 54 HB2 PHE 54 -22.785 3.515 3.515 408 2HB PHE 54 HB1 PHE 54 -21.925 2.862 2.862 409 HD1 PHE 54 HD1 PHE 54 -21.838 5.484 5.484 410 HD2 PHE 54 HD2 PHE 54 -19.744 3.706 3.706 411 HE1 PHE 54 HE1 PHE 54 -19.753 6.653 6.653 412 HE2 PHE 54 HE2 PHE 54 -17.663 4.879 4.879 413 HZ PHE 54 HZ PHE 54 -17.664 6.353 6.353 414 H GLU 55 H GLU 55 -23.317 2.434 2.434 415 HA GLU 55 HA GLU 55 -26.276 2.470 2.470 416 1HB GLU 55 HB2 GLU 55 -24.492 0.831 0.831 417 2HB GLU 55 HB1 GLU 55 -26.254 1.015 1.015 418 1HG GLU 55 HG2 GLU 55 -25.807 3.539 3.539 419 2HG GLU 55 HG1 GLU 55 -24.101 3.108 3.108 420 H THR 56 H THR 56 -23.361 0.450 0.450 421 HA THR 56 HA THR 56 -25.113 -1.476 -1.476 422 HB THR 56 HB THR 56 -22.853 -2.943 -2.943 423 HG1 THR 56 HG1 THR 56 -23.150 -1.150 -1.150 424 1HG2 THR 56 HG2 THR 56 -25.318 -2.320 -2.320 425 2HG2 THR 56 HG2 THR 56 -23.994 -3.193 -3.193 426 3HG2 THR 56 HG2 THR 56 -24.778 -3.900 -3.900 427 H LEU 57 H LEU 57 -24.300 -2.313 -2.313 428 HA LEU 57 HA LEU 57 -23.080 -0.295 -0.295 429 1HB LEU 57 HB2 LEU 57 -24.699 -2.010 -2.010 430 2HB LEU 57 HB1 LEU 57 -23.396 -3.211 -3.211 431 HG LEU 57 HG LEU 57 -22.188 -1.498 -1.498 432 1HD1 LEU 57 HD1 LEU 57 -25.121 -0.917 -0.917 433 2HD1 LEU 57 HD1 LEU 57 -23.753 -0.437 -0.437 434 3HD1 LEU 57 HD1 LEU 57 -23.905 0.229 0.229 435 1HD2 LEU 57 HD2 LEU 57 -22.651 -3.832 -3.832 436 2HD2 LEU 57 HD2 LEU 57 -23.022 -2.768 -2.768 437 3HD2 LEU 57 HD2 LEU 57 -24.335 -3.429 -3.429 438 H GLU 58 H GLU 58 -21.857 -3.484 -3.484 439 HA GLU 58 HA GLU 58 -19.294 -3.322 -3.322 440 1HB GLU 58 HB2 GLU 58 -20.589 -5.111 -5.111 441 2HB GLU 58 HB1 GLU 58 -19.459 -4.407 -4.407 442 1HG GLU 58 HG2 GLU 58 -17.579 -4.891 -4.891 443 2HG GLU 58 HG1 GLU 58 -18.729 -5.611 -5.611 444 H GLU 59 H GLU 59 -20.707 -1.708 -1.708 445 HA GLU 59 HA GLU 59 -18.216 -0.810 -0.810 446 1HB GLU 59 HB2 GLU 59 -20.579 -0.904 -0.904 447 2HB GLU 59 HB1 GLU 59 -20.818 0.685 0.685 448 1HG GLU 59 HG2 GLU 59 -18.585 1.353 1.353 449 2HG GLU 59 HG1 GLU 59 -18.724 -0.147 -0.147 450 H CYS 60 H CYS 60 -20.720 0.764 0.764 451 HA CYS 60 HA CYS 60 -19.288 3.191 3.191 452 1HB CYS 60 HB2 CYS 60 -21.572 3.211 3.211 453 2HB CYS 60 HB1 CYS 60 -21.430 1.831 1.831 454 HG CYS 60 HG CYS 60 -20.985 5.145 5.145 455 H LYS 61 H LYS 61 -18.973 0.014 0.014 456 HA LYS 61 HA LYS 61 -17.410 0.995 0.995 457 1HB LYS 61 HB2 LYS 61 -17.783 -1.839 -1.839 458 2HB LYS 61 HB1 LYS 61 -17.107 -1.357 -1.357 459 1HG LYS 61 HG2 LYS 61 -19.577 0.008 0.008 460 2HG LYS 61 HG1 LYS 61 -19.890 -1.632 -1.632 461 1HD LYS 61 HD2 LYS 61 -19.766 -2.497 -2.497 462 2HD LYS 61 HD1 LYS 61 -18.233 -1.663 -1.663 463 1HE LYS 61 HE2 LYS 61 -19.471 -0.481 -0.481 464 2HE LYS 61 HE1 LYS 61 -20.018 0.429 0.429 465 1HZ LYS 61 HZ1 LYS 61 -21.354 -1.939 -1.939 466 2HZ LYS 61 HZ3 LYS 61 -21.845 -0.351 -0.351 467 3HZ LYS 61 HZ2 LYS 61 -21.883 -1.084 -1.084 468 H ASN 62 H ASN 62 -16.739 -0.836 -0.836 469 HA ASN 62 HA ASN 62 -13.957 -1.059 -1.059 470 1HB ASN 62 HB2 ASN 62 -15.738 -1.739 -1.739 471 2HB ASN 62 HB1 ASN 62 -15.043 -0.289 -0.289 472 1HD2 ASN 62 HD2 ASN 62 -13.181 -3.776 -3.776 473 2HD2 ASN 62 HD2 ASN 62 -14.894 -3.476 -3.476 474 H ILE 63 H ILE 63 -15.968 1.681 1.681 475 HA ILE 63 HA ILE 63 -13.630 3.249 3.249 476 HB ILE 63 HB ILE 63 -16.563 3.688 3.688 477 1HG1 ILE 63 HG1 ILE 63 -15.775 4.468 4.468 478 2HG1 ILE 63 HG1 ILE 63 -14.390 3.438 3.438 479 1HG2 ILE 63 HG2 ILE 63 -14.493 5.884 5.884 480 2HG2 ILE 63 HG2 ILE 63 -16.233 6.029 6.029 481 3HG2 ILE 63 HG2 ILE 63 -15.696 5.782 5.782 482 1HD1 ILE 63 HD1 ILE 63 -17.332 2.599 2.599 483 2HD1 ILE 63 HD1 ILE 63 -16.151 2.154 2.154 484 3HD1 ILE 63 HD1 ILE 63 -15.953 1.556 1.556 485 H CYS 64 H CYS 64 -16.195 3.416 3.416 486 HA CYS 64 HA CYS 64 -14.624 5.387 5.387 487 1HB CYS 64 HB2 CYS 64 -17.106 3.922 3.922 488 2HB CYS 64 HB1 CYS 64 -16.421 5.407 5.407 489 HG CYS 64 HG CYS 64 -17.037 5.858 5.858 490 H GLU 65 H GLU 65 -16.217 2.502 2.502 491 HA GLU 65 HA GLU 65 -14.568 2.042 2.042 492 1HB GLU 65 HB2 GLU 65 -15.978 0.139 0.139 493 2HB GLU 65 HB1 GLU 65 -14.865 -0.532 -0.532 494 1HG GLU 65 HG2 GLU 65 -16.271 1.263 1.263 495 2HG GLU 65 HG1 GLU 65 -17.510 0.795 0.795 496 H ASP 66 H ASP 66 -13.766 1.515 1.515 497 HA ASP 66 HA ASP 66 -11.822 0.848 0.848 498 1HB ASP 66 HB2 ASP 66 -9.783 1.808 1.808 499 2HB ASP 66 HB1 ASP 66 -11.099 2.983 2.983 500 H GLY 67 H GLY 67 -11.820 -1.388 -1.388 501 1HA GLY 67 HA1 GLY 67 -11.262 -2.959 -2.959 502 2HA GLY 67 HA2 GLY 67 -11.344 -3.543 -3.543 503 HA PRO 68 HA PRO 68 -6.955 -3.612 -3.612 504 1HB PRO 68 HB2 PRO 68 -6.444 -2.756 -2.756 505 2HB PRO 68 HB1 PRO 68 -6.978 -4.392 -4.392 506 1HG PRO 68 HG2 PRO 68 -8.468 -2.192 -2.192 507 2HG PRO 68 HG1 PRO 68 -8.833 -3.928 -3.928 508 1HD PRO 68 HD2 PRO 68 -10.065 -1.841 -1.841 509 2HD PRO 68 HD1 PRO 68 -10.342 -3.590 -3.590 510 H ASN 69 H ASN 69 -6.772 -1.918 -1.918 511 HA ASN 69 HA ASN 69 -6.170 0.202 0.202 512 1HB ASN 69 HB2 ASN 69 -3.950 0.826 0.826 513 2HB ASN 69 HB1 ASN 69 -4.006 -0.947 -0.947 514 1HD2 ASN 69 HD2 ASN 69 -3.164 1.252 1.252 515 2HD2 ASN 69 HD2 ASN 69 -3.340 1.900 1.900 516 H GLY 70 H GLY 70 -4.905 2.370 2.370 517 1HA GLY 70 HA1 GLY 70 -6.883 4.030 4.030 518 2HA GLY 70 HA2 GLY 70 -5.284 4.066 4.066 519 H PHE 71 H PHE 71 -5.488 1.377 1.377 520 HA PHE 71 HA PHE 71 -6.294 0.356 0.356 521 1HB PHE 71 HB2 PHE 71 -8.502 0.027 0.027 522 2HB PHE 71 HB1 PHE 71 -8.511 0.907 0.907 523 HD1 PHE 71 HD2 PHE 71 -8.631 1.662 1.662 524 HD2 PHE 71 HD1 PHE 71 -10.009 2.682 2.682 525 HE1 PHE 71 HE2 PHE 71 -10.149 3.379 3.379 526 HE2 PHE 71 HE1 PHE 71 -11.524 4.395 4.395 527 HZ PHE 71 HZ PHE 71 -11.596 4.748 4.748 Start of MODEL 10 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 3.086 0.459 0.459 3 1HB ASP 1 HB2 ASP 1 1.302 -1.780 -1.780 4 2HB ASP 1 HB1 ASP 1 2.909 -1.344 -1.344 5 H TYR 2 H TYR 2 -0.284 -0.390 -0.390 6 HA TYR 2 HA TYR 2 -1.675 0.856 0.856 7 1HB TYR 2 HB1 TYR 2 0.386 3.035 3.035 8 2HB TYR 2 HB2 TYR 2 -1.363 3.164 3.164 9 HD1 TYR 2 HD1 TYR 2 -1.556 1.332 1.332 10 HD2 TYR 2 HD2 TYR 2 0.703 4.863 4.863 11 HE1 TYR 2 HE1 TYR 2 -1.444 1.979 1.979 12 HE2 TYR 2 HE2 TYR 2 0.815 5.509 5.509 13 HH TYR 2 HH TYR 2 -1.038 4.579 4.579 14 H LYS 3 H LYS 3 0.454 -1.097 -1.097 15 HA LYS 3 HA LYS 3 1.245 -0.064 -0.064 16 1HB LYS 3 HB2 LYS 3 2.431 -1.792 -1.792 17 2HB LYS 3 HB1 LYS 3 1.909 -2.853 -2.853 18 1HG LYS 3 HG2 LYS 3 3.693 -0.391 -0.391 19 2HG LYS 3 HG1 LYS 3 4.140 -2.072 -2.072 20 1HD LYS 3 HD2 LYS 3 2.056 -1.750 -1.750 21 2HD LYS 3 HD1 LYS 3 2.657 -0.082 -0.082 22 1HE LYS 3 HE2 LYS 3 4.058 -0.834 -0.834 23 2HE LYS 3 HE1 LYS 3 5.011 -1.423 -1.423 24 1HZ LYS 3 HZ1 LYS 3 2.990 -2.976 -2.976 25 2HZ LYS 3 HZ3 LYS 3 4.648 -3.124 -3.124 26 3HZ LYS 3 HZ2 LYS 3 3.890 -3.540 -3.540 27 H ASP 4 H ASP 4 -1.487 -0.092 -0.092 28 HA ASP 4 HA ASP 4 -2.203 -1.875 -1.875 29 1HB ASP 4 HB2 ASP 4 -2.510 -3.589 -3.589 30 2HB ASP 4 HB1 ASP 4 -3.066 -2.463 -2.463 31 H ASP 5 H ASP 5 -4.309 -0.857 -0.857 32 HA ASP 5 HA ASP 5 -5.084 1.635 1.635 33 1HB ASP 5 HB2 ASP 5 -7.086 -0.642 -0.642 34 2HB ASP 5 HB1 ASP 5 -7.413 1.025 1.025 35 H ASP 6 H ASP 6 -6.573 -0.979 -0.979 36 HA ASP 6 HA ASP 6 -7.507 -0.873 -0.873 37 1HB ASP 6 HB2 ASP 6 -5.256 1.137 1.137 38 2HB ASP 6 HB1 ASP 6 -6.278 0.594 0.594 39 H ASP 7 H ASP 7 -8.311 0.821 0.821 40 HA ASP 7 HA ASP 7 -9.964 2.370 2.370 41 1HB ASP 7 HB2 ASP 7 -9.422 4.570 4.570 42 2HB ASP 7 HB1 ASP 7 -8.644 4.193 4.193 43 H LYS 8 H LYS 8 -11.382 4.219 4.219 44 HA LYS 8 HA LYS 8 -12.721 4.675 4.675 45 1HB LYS 8 HB2 LYS 8 -11.962 2.082 2.082 46 2HB LYS 8 HB1 LYS 8 -12.611 3.565 3.565 47 1HG LYS 8 HG2 LYS 8 -10.245 4.341 4.341 48 2HG LYS 8 HG1 LYS 8 -9.847 2.808 2.808 49 1HD LYS 8 HD2 LYS 8 -9.430 4.205 4.205 50 2HD LYS 8 HD1 LYS 8 -11.180 4.039 4.039 51 1HE LYS 8 HE2 LYS 8 -11.308 6.101 6.101 52 2HE LYS 8 HE1 LYS 8 -9.609 6.335 6.335 53 1HZ LYS 8 HZ1 LYS 8 -11.897 6.165 6.165 54 2HZ LYS 8 HZ3 LYS 8 -11.100 7.560 7.560 55 3HZ LYS 8 HZ2 LYS 8 -10.312 6.401 6.401 56 H LEU 9 H LEU 9 -13.174 3.126 3.126 57 HA LEU 9 HA LEU 9 -14.685 1.715 1.715 58 1HB LEU 9 HB2 LEU 9 -16.017 3.765 3.765 59 2HB LEU 9 HB1 LEU 9 -17.055 2.362 2.362 60 HG LEU 9 HG LEU 9 -15.509 3.808 3.808 61 1HD1 LEU 9 HD1 LEU 9 -18.354 4.409 4.409 62 2HD1 LEU 9 HD1 LEU 9 -17.588 5.053 5.053 63 3HD1 LEU 9 HD1 LEU 9 -16.948 5.485 5.485 64 1HD2 LEU 9 HD2 LEU 9 -16.300 1.570 1.570 65 2HD2 LEU 9 HD2 LEU 9 -17.211 2.808 2.808 66 3HD2 LEU 9 HD2 LEU 9 -17.956 1.991 1.991 67 H LYS 10 H LYS 10 -14.031 -0.366 -0.366 68 HA LYS 10 HA LYS 10 -15.423 -1.437 -1.437 69 1HB LYS 10 HB2 LYS 10 -12.694 -1.468 -1.468 70 2HB LYS 10 HB1 LYS 10 -13.263 -3.126 -3.126 71 1HG LYS 10 HG2 LYS 10 -14.512 -2.442 -2.442 72 2HG LYS 10 HG1 LYS 10 -12.953 -1.605 -1.605 73 1HD LYS 10 HD2 LYS 10 -13.002 -4.470 -4.470 74 2HD LYS 10 HD1 LYS 10 -13.250 -4.138 -4.138 75 1HE LYS 10 HE2 LYS 10 -10.910 -3.014 -3.014 76 2HE LYS 10 HE1 LYS 10 -10.830 -4.567 -4.567 77 1HZ LYS 10 HZ1 LYS 10 -11.444 -1.947 -1.947 78 2HZ LYS 10 HZ3 LYS 10 -9.991 -2.765 -2.765 79 3HZ LYS 10 HZ2 LYS 10 -11.354 -3.394 -3.394 80 HA PRO 11 HA PRO 11 -17.690 -4.014 -4.014 81 1HB PRO 11 HB2 PRO 11 -18.241 -6.125 -6.125 82 2HB PRO 11 HB1 PRO 11 -19.136 -4.593 -4.593 83 1HG PRO 11 HG2 PRO 11 -17.156 -5.570 -5.570 84 2HG PRO 11 HG1 PRO 11 -18.350 -4.266 -4.266 85 1HD PRO 11 HD2 PRO 11 -15.531 -4.001 -4.001 86 2HD PRO 11 HD1 PRO 11 -16.753 -2.715 -2.715 87 H ASP 12 H ASP 12 -16.554 -4.814 -4.814 88 HA ASP 12 HA ASP 12 -14.284 -6.515 -6.515 89 1HB ASP 12 HB2 ASP 12 -14.633 -5.293 -5.293 90 2HB ASP 12 HB1 ASP 12 -16.236 -6.021 -6.021 91 H PHE 13 H PHE 13 -17.789 -7.115 -7.115 92 HA PHE 13 HA PHE 13 -17.835 -9.868 -9.868 93 1HB PHE 13 HB2 PHE 13 -20.000 -9.883 -9.883 94 2HB PHE 13 HB1 PHE 13 -19.767 -8.259 -8.259 95 HD1 PHE 13 HD1 PHE 13 -19.479 -10.178 -10.178 96 HD2 PHE 13 HD2 PHE 13 -20.267 -6.388 -6.388 97 HE1 PHE 13 HE1 PHE 13 -20.105 -9.187 -9.187 98 HE2 PHE 13 HE2 PHE 13 -20.891 -5.406 -5.406 99 HZ PHE 13 HZ PHE 13 -20.812 -6.802 -6.802 100 H CYS 14 H CYS 14 -16.805 -8.196 -8.196 101 HA CYS 14 HA CYS 14 -17.026 -10.451 -10.451 102 1HB CYS 14 HB2 CYS 14 -15.465 -7.888 -7.888 103 2HB CYS 14 HB1 CYS 14 -15.235 -9.139 -9.139 104 HG CYS 14 HG CYS 14 -18.266 -9.044 -9.044 105 H PHE 15 H PHE 15 -14.443 -9.200 -9.200 106 HA PHE 15 HA PHE 15 -12.454 -11.189 -11.189 107 1HB PHE 15 HB2 PHE 15 -12.460 -9.595 -9.595 108 2HB PHE 15 HB1 PHE 15 -11.095 -10.221 -10.221 109 HD1 PHE 15 HD1 PHE 15 -11.387 -9.333 -9.333 110 HD2 PHE 15 HD2 PHE 15 -12.420 -7.245 -7.245 111 HE1 PHE 15 HE1 PHE 15 -11.121 -7.155 -7.155 112 HE2 PHE 15 HE2 PHE 15 -12.152 -5.071 -5.071 113 HZ PHE 15 HZ PHE 15 -11.503 -5.023 -5.023 114 H LEU 16 H LEU 16 -15.386 -11.437 -11.437 115 HA LEU 16 HA LEU 16 -14.532 -13.133 -13.133 116 1HB LEU 16 HB2 LEU 16 -16.750 -11.717 -11.717 117 2HB LEU 16 HB1 LEU 16 -17.293 -13.353 -13.353 118 HG LEU 16 HG LEU 16 -15.915 -13.397 -13.397 119 1HD1 LEU 16 HD1 LEU 16 -18.177 -11.360 -11.360 120 2HD1 LEU 16 HD1 LEU 16 -17.458 -12.011 -12.011 121 3HD1 LEU 16 HD1 LEU 16 -16.474 -11.041 -11.041 122 1HD2 LEU 16 HD2 LEU 16 -17.551 -15.084 -15.084 123 2HD2 LEU 16 HD2 LEU 16 -18.072 -14.339 -14.339 124 3HD2 LEU 16 HD2 LEU 16 -18.848 -13.873 -13.873 125 H GLU 17 H GLU 17 -14.072 -15.284 -15.284 126 HA GLU 17 HA GLU 17 -13.615 -16.691 -16.691 127 1HB GLU 17 HB2 GLU 17 -14.558 -18.084 -18.084 128 2HB GLU 17 HB1 GLU 17 -13.376 -18.647 -18.647 129 1HG GLU 17 HG2 GLU 17 -12.085 -16.439 -16.439 130 2HG GLU 17 HG1 GLU 17 -13.079 -16.588 -16.588 131 H GLU 18 H GLU 18 -14.746 -18.250 -18.250 132 HA GLU 18 HA GLU 18 -17.441 -17.669 -17.669 133 1HB GLU 18 HB2 GLU 18 -17.381 -19.332 -19.332 134 2HB GLU 18 HB1 GLU 18 -15.651 -18.991 -18.991 135 1HG GLU 18 HG2 GLU 18 -15.823 -20.881 -20.881 136 2HG GLU 18 HG1 GLU 18 -17.278 -21.350 -21.350 137 H ASP 19 H ASP 19 -19.402 -18.465 -18.465 138 HA ASP 19 HA ASP 19 -19.304 -20.685 -20.685 139 1HB ASP 19 HB2 ASP 19 -19.445 -18.217 -18.217 140 2HB ASP 19 HB1 ASP 19 -21.123 -18.319 -18.319 141 HA PRO 20 HA PRO 20 -22.640 -21.522 -21.522 142 1HB PRO 20 HB2 PRO 20 -22.339 -24.323 -24.323 143 2HB PRO 20 HB1 PRO 20 -21.476 -23.311 -23.311 144 1HG PRO 20 HG2 PRO 20 -20.494 -24.618 -24.618 145 2HG PRO 20 HG1 PRO 20 -19.593 -23.969 -23.969 146 1HD PRO 20 HD2 PRO 20 -19.885 -22.789 -22.789 147 2HD PRO 20 HD1 PRO 20 -19.078 -22.106 -22.106 148 H GLY 21 H GLY 21 -22.392 -21.616 -21.616 149 1HA GLY 21 HA1 GLY 21 -24.230 -21.535 -21.535 150 2HA GLY 21 HA2 GLY 21 -25.241 -22.370 -22.370 151 H ILE 22 H ILE 22 -25.654 -24.512 -24.512 152 HA ILE 22 HA ILE 22 -23.626 -26.095 -26.095 153 HB ILE 22 HB ILE 22 -26.437 -26.330 -26.330 154 1HG1 ILE 22 HG1 ILE 22 -24.488 -24.158 -24.158 155 2HG1 ILE 22 HG1 ILE 22 -26.224 -24.039 -24.039 156 1HG2 ILE 22 HG2 ILE 22 -23.747 -26.845 -26.845 157 2HG2 ILE 22 HG2 ILE 22 -25.339 -27.086 -27.086 158 3HG2 ILE 22 HG2 ILE 22 -24.872 -28.062 -28.062 159 1HD1 ILE 22 HD1 ILE 22 -24.983 -25.354 -25.354 160 2HD1 ILE 22 HD1 ILE 22 -25.770 -23.753 -23.753 161 3HD1 ILE 22 HD1 ILE 22 -26.721 -25.225 -25.225 162 H CYS 23 H CYS 23 -27.117 -26.566 -26.566 163 HA CYS 23 HA CYS 23 -26.774 -29.140 -29.140 164 1HB CYS 23 HB2 CYS 23 -28.867 -28.500 -28.500 165 2HB CYS 23 HB1 CYS 23 -28.953 -28.633 -28.633 166 HG CYS 23 HG CYS 23 -30.424 -26.384 -26.384 167 H ARG 24 H ARG 24 -27.589 -29.470 -29.470 168 HA ARG 24 HA ARG 24 -25.274 -28.437 -28.437 169 1HB ARG 24 HB2 ARG 24 -25.834 -30.073 -30.073 170 2HB ARG 24 HB1 ARG 24 -25.995 -30.870 -30.870 171 1HG ARG 24 HG2 ARG 24 -28.165 -31.327 -31.327 172 2HG ARG 24 HG1 ARG 24 -28.501 -29.608 -29.608 173 1HD ARG 24 HD2 ARG 24 -28.325 -29.830 -29.830 174 2HD ARG 24 HD1 ARG 24 -27.079 -31.089 -31.089 175 HE ARG 24 HE ARG 24 -28.737 -32.696 -32.696 176 1HH1 ARG 24 HH1 ARG 24 -30.132 -29.583 -29.583 177 2HH1 ARG 24 HH1 ARG 24 -31.807 -30.146 -30.146 178 1HH2 ARG 24 HH2 ARG 24 -30.951 -33.466 -33.466 179 2HH2 ARG 24 HH2 ARG 24 -32.275 -32.363 -32.363 180 H GLY 25 H GLY 25 -26.727 -28.731 -28.731 181 1HA GLY 25 HA1 GLY 25 -28.528 -27.571 -27.571 182 2HA GLY 25 HA2 GLY 25 -28.510 -26.331 -26.331 183 H TYR 26 H TYR 26 -25.484 -27.705 -27.705 184 HA TYR 26 HA TYR 26 -24.263 -25.282 -25.282 185 1HB TYR 26 HB1 TYR 26 -23.968 -27.765 -27.765 186 2HB TYR 26 HB2 TYR 26 -22.792 -26.474 -26.474 187 HD1 TYR 26 HD2 TYR 26 -23.744 -26.484 -26.484 188 HD2 TYR 26 HD1 TYR 26 -21.896 -29.228 -29.228 189 HE1 TYR 26 HE2 TYR 26 -22.661 -27.673 -27.673 190 HE2 TYR 26 HE1 TYR 26 -20.813 -30.414 -30.414 191 HH TYR 26 HH TYR 26 -20.282 -30.268 -30.268 192 H ILE 27 H ILE 27 -24.022 -23.841 -23.841 193 HA ILE 27 HA ILE 27 -25.856 -24.255 -24.255 194 HB ILE 27 HB ILE 27 -25.944 -21.608 -21.608 195 1HG1 ILE 27 HG1 ILE 27 -27.695 -23.941 -23.941 196 2HG1 ILE 27 HG1 ILE 27 -26.351 -23.271 -23.271 197 1HG2 ILE 27 HG2 ILE 27 -27.959 -23.230 -23.230 198 2HG2 ILE 27 HG2 ILE 27 -28.247 -21.596 -21.596 199 3HG2 ILE 27 HG2 ILE 27 -26.999 -21.853 -21.853 200 1HD1 ILE 27 HD1 ILE 27 -28.851 -21.743 -21.743 201 2HD1 ILE 27 HD1 ILE 27 -28.526 -22.363 -22.363 202 3HD1 ILE 27 HD1 ILE 27 -27.519 -21.070 -21.070 203 H THR 28 H THR 28 -22.868 -24.121 -24.121 204 HA THR 28 HA THR 28 -20.947 -23.174 -23.174 205 HB THR 28 HB THR 28 -22.827 -23.257 -23.257 206 HG1 THR 28 HG1 THR 28 -21.935 -25.169 -25.169 207 1HG2 THR 28 HG2 THR 28 -20.005 -22.180 -22.180 208 2HG2 THR 28 HG2 THR 28 -20.333 -23.288 -23.288 209 3HG2 THR 28 HG2 THR 28 -21.234 -21.764 -21.764 210 H ARG 29 H ARG 29 -21.920 -21.395 -21.395 211 HA ARG 29 HA ARG 29 -22.466 -18.854 -18.854 212 1HB ARG 29 HB2 ARG 29 -22.110 -19.607 -19.607 213 2HB ARG 29 HB1 ARG 29 -22.435 -17.955 -17.955 214 1HG ARG 29 HG2 ARG 29 -24.207 -20.381 -20.381 215 2HG ARG 29 HG1 ARG 29 -24.500 -19.168 -19.168 216 1HD ARG 29 HD2 ARG 29 -24.657 -17.410 -17.410 217 2HD ARG 29 HD1 ARG 29 -24.385 -18.648 -18.648 218 HE ARG 29 HE ARG 29 -26.584 -19.349 -19.349 219 1HH1 ARG 29 HH1 ARG 29 -25.657 -17.316 -17.316 220 2HH1 ARG 29 HH1 ARG 29 -27.286 -17.211 -17.211 221 1HH2 ARG 29 HH2 ARG 29 -28.754 -19.225 -19.225 222 2HH2 ARG 29 HH2 ARG 29 -29.055 -18.302 -18.302 223 H TYR 30 H TYR 30 -21.120 -16.903 -16.903 224 HA TYR 30 HA TYR 30 -18.264 -17.749 -17.749 225 1HB TYR 30 HB1 TYR 30 -19.491 -15.215 -15.215 226 2HB TYR 30 HB2 TYR 30 -17.779 -15.600 -15.600 227 HD1 TYR 30 HD1 TYR 30 -21.015 -17.194 -17.194 228 HD2 TYR 30 HD2 TYR 30 -16.807 -16.526 -16.526 229 HE1 TYR 30 HE1 TYR 30 -21.202 -18.385 -18.385 230 HE2 TYR 30 HE2 TYR 30 -16.996 -17.719 -17.719 231 HH TYR 30 HH TYR 30 -19.328 -18.203 -18.203 232 H PHE 31 H PHE 31 -16.749 -16.409 -16.409 233 HA PHE 31 HA PHE 31 -17.917 -14.498 -14.498 234 1HB PHE 31 HB2 PHE 31 -17.566 -15.718 -15.718 235 2HB PHE 31 HB1 PHE 31 -18.121 -16.980 -16.980 236 HD1 PHE 31 HD2 PHE 31 -16.325 -18.396 -18.396 237 HD2 PHE 31 HD1 PHE 31 -15.462 -15.971 -15.971 238 HE1 PHE 31 HE2 PHE 31 -14.263 -19.719 -19.719 239 HE2 PHE 31 HE1 PHE 31 -13.403 -17.299 -17.299 240 HZ PHE 31 HZ PHE 31 -12.800 -19.174 -19.174 241 H TYR 32 H TYR 32 -16.304 -13.141 -13.141 242 HA TYR 32 HA TYR 32 -13.856 -13.099 -13.099 243 1HB TYR 32 HB1 TYR 32 -15.217 -11.042 -11.042 244 2HB TYR 32 HB2 TYR 32 -14.601 -11.312 -11.312 245 HD1 TYR 32 HD2 TYR 32 -12.158 -11.092 -11.092 246 HD2 TYR 32 HD1 TYR 32 -13.782 -10.026 -10.026 247 HE1 TYR 32 HE2 TYR 32 -10.106 -9.791 -9.791 248 HE2 TYR 32 HE1 TYR 32 -11.731 -8.726 -8.726 249 HH TYR 32 HH TYR 32 -9.673 -8.002 -8.002 250 H ASN 33 H ASN 33 -12.400 -14.688 -14.688 251 HA ASN 33 HA ASN 33 -11.915 -15.327 -15.327 252 1HB ASN 33 HB2 ASN 33 -12.179 -17.068 -17.068 253 2HB ASN 33 HB1 ASN 33 -10.524 -16.589 -16.589 254 1HD2 ASN 33 HD2 ASN 33 -10.172 -19.551 -19.551 255 2HD2 ASN 33 HD2 ASN 33 -10.734 -19.109 -19.109 256 H ASN 34 H ASN 34 -10.167 -14.578 -14.578 257 HA ASN 34 HA ASN 34 -8.411 -12.665 -12.665 258 1HB ASN 34 HB2 ASN 34 -7.372 -12.495 -12.495 259 2HB ASN 34 HB1 ASN 34 -9.088 -12.797 -12.797 260 1HD2 ASN 34 HD2 ASN 34 -8.550 -15.708 -15.708 261 2HD2 ASN 34 HD2 ASN 34 -9.597 -14.377 -14.377 262 H GLN 35 H GLN 35 -8.381 -16.154 -16.154 263 HA GLN 35 HA GLN 35 -5.667 -16.708 -16.708 264 1HB GLN 35 HB2 GLN 35 -7.879 -18.242 -18.242 265 2HB GLN 35 HB1 GLN 35 -7.366 -18.404 -18.404 266 1HG GLN 35 HG2 GLN 35 -6.406 -20.193 -20.193 267 2HG GLN 35 HG1 GLN 35 -5.135 -19.157 -19.157 268 1HE2 GLN 35 HE2 GLN 35 -3.792 -18.246 -18.246 269 2HE2 GLN 35 HE2 GLN 35 -3.674 -18.368 -18.368 270 H THR 36 H THR 36 -7.779 -15.733 -15.733 271 HA THR 36 HA THR 36 -5.318 -15.497 -15.497 272 HB THR 36 HB THR 36 -6.753 -16.151 -16.151 273 HG1 THR 36 HG1 THR 36 -8.687 -16.527 -16.527 274 1HG2 THR 36 HG2 THR 36 -6.589 -17.917 -17.917 275 2HG2 THR 36 HG2 THR 36 -7.681 -18.424 -18.424 276 3HG2 THR 36 HG2 THR 36 -5.949 -18.234 -18.234 277 H LYS 37 H LYS 37 -6.849 -13.632 -13.632 278 HA LYS 37 HA LYS 37 -7.951 -11.612 -11.612 279 1HB LYS 37 HB2 LYS 37 -5.457 -11.218 -11.218 280 2HB LYS 37 HB1 LYS 37 -6.443 -9.884 -9.884 281 1HG LYS 37 HG2 LYS 37 -5.299 -10.035 -10.035 282 2HG LYS 37 HG1 LYS 37 -6.007 -11.645 -11.645 283 1HD LYS 37 HD2 LYS 37 -3.590 -11.843 -11.843 284 2HD LYS 37 HD1 LYS 37 -4.123 -12.597 -12.597 285 1HE LYS 37 HE2 LYS 37 -3.695 -10.086 -10.086 286 2HE LYS 37 HE1 LYS 37 -2.562 -10.074 -10.074 287 1HZ LYS 37 HZ1 LYS 37 -2.637 -12.080 -12.080 288 2HZ LYS 37 HZ3 LYS 37 -1.533 -10.836 -10.836 289 3HZ LYS 37 HZ2 LYS 37 -1.562 -12.068 -12.068 290 H GLN 38 H GLN 38 -9.513 -13.114 -13.114 291 HA GLN 38 HA GLN 38 -10.531 -11.237 -11.237 292 1HB GLN 38 HB2 GLN 38 -8.722 -13.330 -13.330 293 2HB GLN 38 HB1 GLN 38 -10.316 -13.348 -13.348 294 1HG GLN 38 HG2 GLN 38 -9.982 -10.778 -10.778 295 2HG GLN 38 HG1 GLN 38 -8.278 -11.102 -11.102 296 1HE2 GLN 38 HE2 GLN 38 -7.424 -12.175 -12.175 297 2HE2 GLN 38 HE2 GLN 38 -6.960 -11.658 -11.658 298 H CYS 39 H CYS 39 -12.266 -12.712 -12.712 299 HA CYS 39 HA CYS 39 -13.902 -13.931 -13.931 300 1HB CYS 39 HB2 CYS 39 -14.436 -13.036 -13.036 301 2HB CYS 39 HB1 CYS 39 -15.602 -14.021 -14.021 302 HG CYS 39 HG CYS 39 -14.692 -10.743 -10.743 303 H GLU 40 H GLU 40 -14.034 -16.091 -16.091 304 HA GLU 40 HA GLU 40 -13.025 -17.813 -17.813 305 1HB GLU 40 HB2 GLU 40 -13.119 -18.312 -18.312 306 2HB GLU 40 HB1 GLU 40 -12.627 -19.519 -19.519 307 1HG GLU 40 HG2 GLU 40 -11.299 -16.824 -16.824 308 2HG GLU 40 HG1 GLU 40 -10.656 -18.414 -18.414 309 H ARG 41 H ARG 41 -14.225 -19.658 -19.658 310 HA ARG 41 HA ARG 41 -17.082 -19.374 -19.374 311 1HB ARG 41 HB2 ARG 41 -15.335 -20.689 -20.689 312 2HB ARG 41 HB1 ARG 41 -16.396 -21.925 -21.925 313 1HG ARG 41 HG2 ARG 41 -18.326 -20.936 -20.936 314 2HG ARG 41 HG1 ARG 41 -17.604 -19.315 -19.315 315 1HD ARG 41 HD2 ARG 41 -17.276 -19.647 -19.647 316 2HD ARG 41 HD1 ARG 41 -16.028 -20.827 -20.827 317 HE ARG 41 HE ARG 41 -18.366 -22.272 -22.272 318 1HH1 ARG 41 HH1 ARG 41 -16.926 -20.253 -20.253 319 2HH1 ARG 41 HH1 ARG 41 -17.646 -21.144 -21.144 320 1HH2 ARG 41 HH2 ARG 41 -19.334 -23.470 -23.470 321 2HH2 ARG 41 HH2 ARG 41 -19.021 -22.981 -22.981 322 H PHE 42 H PHE 42 -18.107 -20.046 -20.046 323 HA PHE 42 HA PHE 42 -17.253 -22.663 -22.663 324 1HB PHE 42 HB2 PHE 42 -17.074 -21.782 -21.782 325 2HB PHE 42 HB1 PHE 42 -16.562 -20.375 -20.375 326 HD1 PHE 42 HD2 PHE 42 -18.639 -18.796 -18.796 327 HD2 PHE 42 HD1 PHE 42 -18.643 -21.385 -21.385 328 HE1 PHE 42 HE2 PHE 42 -20.435 -17.422 -17.422 329 HE2 PHE 42 HE1 PHE 42 -20.438 -20.006 -20.006 330 HZ PHE 42 HZ PHE 42 -21.336 -18.023 -18.023 331 H LYS 43 H LYS 43 -18.972 -23.834 -23.834 332 HA LYS 43 HA LYS 43 -21.549 -23.258 -23.258 333 1HB LYS 43 HB2 LYS 43 -22.112 -25.477 -25.477 334 2HB LYS 43 HB1 LYS 43 -21.129 -25.497 -25.497 335 1HG LYS 43 HG2 LYS 43 -19.678 -25.115 -25.115 336 2HG LYS 43 HG1 LYS 43 -20.388 -26.717 -26.717 337 1HD LYS 43 HD2 LYS 43 -19.178 -26.094 -26.094 338 2HD LYS 43 HD1 LYS 43 -18.046 -25.434 -25.434 339 1HE LYS 43 HE2 LYS 43 -18.008 -27.642 -27.642 340 2HE LYS 43 HE1 LYS 43 -19.139 -28.285 -28.285 341 1HZ LYS 43 HZ1 LYS 43 -16.438 -27.218 -27.218 342 2HZ LYS 43 HZ3 LYS 43 -16.869 -28.831 -28.831 343 3HZ LYS 43 HZ2 LYS 43 -17.483 -27.833 -27.833 344 H TYR 44 H TYR 44 -23.545 -22.905 -22.905 345 HA TYR 44 HA TYR 44 -22.987 -21.645 -21.645 346 1HB TYR 44 HB1 TYR 44 -24.170 -20.242 -20.242 347 2HB TYR 44 HB2 TYR 44 -25.350 -21.503 -21.503 348 HD1 TYR 44 HD2 TYR 44 -24.640 -21.524 -21.524 349 HD2 TYR 44 HD1 TYR 44 -26.863 -19.350 -19.350 350 HE1 TYR 44 HE2 TYR 44 -26.136 -20.619 -20.619 351 HE2 TYR 44 HE1 TYR 44 -28.357 -18.447 -18.447 352 HH TYR 44 HH TYR 44 -29.105 -19.039 -19.039 353 H GLY 45 H GLY 45 -26.220 -22.833 -22.833 354 1HA GLY 45 HA1 GLY 45 -26.690 -25.265 -25.265 355 2HA GLY 45 HA2 GLY 45 -25.951 -24.745 -24.745 356 H GLY 46 H GLY 46 -26.911 -22.584 -22.584 357 1HA GLY 46 HA1 GLY 46 -28.900 -21.135 -21.135 358 2HA GLY 46 HA2 GLY 46 -29.866 -22.528 -22.528 359 H CYS 47 H CYS 47 -27.585 -21.502 -21.502 360 HA CYS 47 HA CYS 47 -29.474 -22.204 -22.204 361 1HB CYS 47 HB2 CYS 47 -27.249 -23.866 -23.866 362 2HB CYS 47 HB1 CYS 47 -28.970 -24.277 -24.277 363 HG CYS 47 HG CYS 47 -26.905 -24.171 -24.171 364 H LEU 48 H LEU 48 -28.725 -19.839 -19.839 365 HA LEU 48 HA LEU 48 -27.498 -18.169 -18.169 366 1HB LEU 48 HB2 LEU 48 -28.322 -18.999 -18.999 367 2HB LEU 48 HB1 LEU 48 -27.135 -20.318 -20.318 368 HG LEU 48 HG LEU 48 -25.417 -18.931 -18.931 369 1HD1 LEU 48 HD1 LEU 48 -27.090 -16.516 -16.516 370 2HD1 LEU 48 HD1 LEU 48 -25.483 -16.442 -16.442 371 3HD1 LEU 48 HD1 LEU 48 -25.664 -17.153 -17.153 372 1HD2 LEU 48 HD2 LEU 48 -26.995 -19.265 -19.265 373 2HD2 LEU 48 HD2 LEU 48 -26.236 -17.655 -17.655 374 3HD2 LEU 48 HD2 LEU 48 -27.898 -17.812 -17.812 375 H GLY 49 H GLY 49 -26.152 -18.716 -18.716 376 1HA GLY 49 HA1 GLY 49 -23.435 -19.715 -19.715 377 2HA GLY 49 HA2 GLY 49 -24.084 -19.367 -19.367 378 H ASN 50 H ASN 50 -23.257 -17.748 -17.748 379 HA ASN 50 HA ASN 50 -22.770 -15.483 -15.483 380 1HB ASN 50 HB2 ASN 50 -20.519 -15.058 -15.058 381 2HB ASN 50 HB1 ASN 50 -20.605 -16.829 -16.829 382 1HD2 ASN 50 HD2 ASN 50 -18.803 -16.205 -16.205 383 2HD2 ASN 50 HD2 ASN 50 -18.586 -16.200 -16.200 384 H MET 51 H MET 51 -21.257 -13.797 -13.797 385 HA MET 51 HA MET 51 -23.604 -12.913 -12.913 386 1HB MET 51 HB2 MET 51 -20.997 -11.587 -11.587 387 2HB MET 51 HB1 MET 51 -22.120 -10.856 -10.856 388 1HG MET 51 HG2 MET 51 -22.627 -9.930 -9.930 389 2HG MET 51 HG1 MET 51 -23.930 -11.068 -11.068 390 1HE MET 51 HE1 MET 51 -20.734 -10.305 -10.305 391 2HE MET 51 HE3 MET 51 -20.402 -11.874 -11.874 392 3HE MET 51 HE2 MET 51 -20.161 -11.681 -11.681 393 H ASN 52 H ASN 52 -20.006 -12.869 -12.869 394 HA ASN 52 HA ASN 52 -19.779 -12.667 -12.667 395 1HB ASN 52 HB2 ASN 52 -18.026 -13.448 -13.448 396 2HB ASN 52 HB1 ASN 52 -18.400 -15.061 -15.061 397 1HD2 ASN 52 HD2 ASN 52 -15.435 -13.660 -13.660 398 2HD2 ASN 52 HD2 ASN 52 -15.869 -14.037 -14.037 399 H ASN 53 H ASN 53 -21.515 -13.358 -13.358 400 HA ASN 53 HA ASN 53 -21.415 -16.096 -16.096 401 1HB ASN 53 HB2 ASN 53 -22.771 -16.759 -16.759 402 2HB ASN 53 HB1 ASN 53 -23.639 -15.211 -15.211 403 1HD2 ASN 53 HD2 ASN 53 -24.777 -18.356 -18.356 404 2HD2 ASN 53 HD2 ASN 53 -23.279 -18.345 -18.345 405 H PHE 54 H PHE 54 -21.193 -15.174 -15.174 406 HA PHE 54 HA PHE 54 -23.482 -13.472 -13.472 407 1HB PHE 54 HB2 PHE 54 -20.701 -13.818 -13.818 408 2HB PHE 54 HB1 PHE 54 -21.949 -12.717 -12.717 409 HD1 PHE 54 HD1 PHE 54 -19.465 -13.336 -13.336 410 HD2 PHE 54 HD2 PHE 54 -22.453 -10.622 -10.622 411 HE1 PHE 54 HE1 PHE 54 -18.629 -11.547 -11.547 412 HE2 PHE 54 HE2 PHE 54 -21.610 -8.838 -8.838 413 HZ PHE 54 HZ PHE 54 -19.698 -9.297 -9.297 414 H GLU 55 H GLU 55 -23.826 -13.829 -13.829 415 HA GLU 55 HA GLU 55 -24.039 -16.759 -16.759 416 1HB GLU 55 HB2 GLU 55 -25.564 -14.539 -14.539 417 2HB GLU 55 HB1 GLU 55 -25.843 -16.284 -16.284 418 1HG GLU 55 HG2 GLU 55 -26.198 -16.240 -16.240 419 2HG GLU 55 HG1 GLU 55 -26.357 -14.484 -14.484 420 H THR 56 H THR 56 -23.156 -13.667 -13.667 421 HA THR 56 HA THR 56 -21.670 -15.292 -15.292 422 HB THR 56 HB THR 56 -21.924 -12.812 -12.812 423 HG1 THR 56 HG1 THR 56 -23.728 -11.894 -11.894 424 1HG2 THR 56 HG2 THR 56 -23.732 -15.244 -15.244 425 2HG2 THR 56 HG2 THR 56 -24.394 -13.769 -13.769 426 3HG2 THR 56 HG2 THR 56 -22.949 -14.526 -14.526 427 H LEU 57 H LEU 57 -19.503 -14.720 -14.720 428 HA LEU 57 HA LEU 57 -17.979 -13.849 -13.849 429 1HB LEU 57 HB2 LEU 57 -17.243 -15.266 -15.266 430 2HB LEU 57 HB1 LEU 57 -17.196 -13.821 -13.821 431 HG LEU 57 HG LEU 57 -15.618 -12.927 -12.927 432 1HD1 LEU 57 HD1 LEU 57 -15.285 -15.934 -15.934 433 2HD1 LEU 57 HD1 LEU 57 -14.175 -14.696 -14.696 434 3HD1 LEU 57 HD1 LEU 57 -15.854 -14.779 -14.779 435 1HD2 LEU 57 HD2 LEU 57 -14.929 -13.232 -13.232 436 2HD2 LEU 57 HD2 LEU 57 -13.637 -13.799 -13.799 437 3HD2 LEU 57 HD2 LEU 57 -14.686 -14.969 -14.969 438 H GLU 58 H GLU 58 -18.918 -12.084 -12.084 439 HA GLU 58 HA GLU 58 -17.657 -9.669 -9.669 440 1HB GLU 58 HB2 GLU 58 -19.239 -10.565 -10.565 441 2HB GLU 58 HB1 GLU 58 -20.341 -9.423 -9.423 442 1HG GLU 58 HG2 GLU 58 -18.599 -7.660 -7.660 443 2HG GLU 58 HG1 GLU 58 -17.499 -8.815 -8.815 444 H GLU 59 H GLU 59 -20.693 -11.062 -11.062 445 HA GLU 59 HA GLU 59 -21.656 -8.651 -8.651 446 1HB GLU 59 HB2 GLU 59 -22.904 -10.891 -10.891 447 2HB GLU 59 HB1 GLU 59 -22.265 -11.402 -11.402 448 1HG GLU 59 HG2 GLU 59 -23.239 -9.023 -9.023 449 2HG GLU 59 HG1 GLU 59 -24.275 -9.264 -9.264 450 H CYS 60 H CYS 60 -19.761 -11.461 -11.461 451 HA CYS 60 HA CYS 60 -19.545 -10.422 -10.422 452 1HB CYS 60 HB2 CYS 60 -19.175 -12.712 -12.712 453 2HB CYS 60 HB1 CYS 60 -17.990 -12.447 -12.447 454 HG CYS 60 HG CYS 60 -17.541 -12.478 -12.478 455 H LYS 61 H LYS 61 -17.809 -9.815 -9.815 456 HA LYS 61 HA LYS 61 -15.584 -8.515 -8.515 457 1HB LYS 61 HB2 LYS 61 -16.399 -8.468 -8.468 458 2HB LYS 61 HB1 LYS 61 -14.836 -7.957 -7.957 459 1HG LYS 61 HG2 LYS 61 -15.264 -10.551 -10.551 460 2HG LYS 61 HG1 LYS 61 -15.808 -10.635 -10.635 461 1HD LYS 61 HD2 LYS 61 -13.685 -10.439 -10.439 462 2HD LYS 61 HD1 LYS 61 -13.279 -9.152 -9.152 463 1HE LYS 61 HE2 LYS 61 -11.930 -10.758 -10.758 464 2HE LYS 61 HE1 LYS 61 -13.436 -11.320 -11.320 465 1HZ LYS 61 HZ1 LYS 61 -12.321 -12.277 -12.277 466 2HZ LYS 61 HZ3 LYS 61 -12.267 -13.087 -13.087 467 3HZ LYS 61 HZ2 LYS 61 -13.722 -12.821 -12.821 468 H ASN 62 H ASN 62 -18.549 -7.485 -7.485 469 HA ASN 62 HA ASN 62 -18.129 -4.711 -4.711 470 1HB ASN 62 HB2 ASN 62 -20.210 -6.403 -6.403 471 2HB ASN 62 HB1 ASN 62 -20.885 -5.563 -5.563 472 1HD2 ASN 62 HD2 ASN 62 -19.622 -3.329 -3.329 473 2HD2 ASN 62 HD2 ASN 62 -18.766 -4.782 -4.782 474 H ILE 63 H ILE 63 -19.626 -6.853 -6.853 475 HA ILE 63 HA ILE 63 -19.984 -4.617 -4.617 476 HB ILE 63 HB ILE 63 -20.561 -7.485 -7.485 477 1HG1 ILE 63 HG1 ILE 63 -22.182 -5.231 -5.231 478 2HG1 ILE 63 HG1 ILE 63 -22.132 -5.527 -5.527 479 1HG2 ILE 63 HG2 ILE 63 -20.250 -6.003 -6.003 480 2HG2 ILE 63 HG2 ILE 63 -21.050 -7.586 -7.586 481 3HG2 ILE 63 HG2 ILE 63 -19.319 -7.410 -7.410 482 1HD1 ILE 63 HD1 ILE 63 -23.002 -7.544 -7.544 483 2HD1 ILE 63 HD1 ILE 63 -24.086 -6.631 -6.631 484 3HD1 ILE 63 HD1 ILE 63 -22.973 -7.843 -7.843 485 H CYS 64 H CYS 64 -17.869 -7.565 -7.565 486 HA CYS 64 HA CYS 64 -16.302 -6.577 -6.577 487 1HB CYS 64 HB2 CYS 64 -15.561 -8.747 -8.747 488 2HB CYS 64 HB1 CYS 64 -14.922 -8.495 -8.495 489 HG CYS 64 HG CYS 64 -16.720 -9.971 -9.971 490 H GLU 65 H GLU 65 -14.792 -7.686 -7.686 491 HA GLU 65 HA GLU 65 -12.600 -6.170 -6.170 492 1HB GLU 65 HB2 GLU 65 -14.421 -7.038 -7.038 493 2HB GLU 65 HB1 GLU 65 -13.164 -5.854 -5.854 494 1HG GLU 65 HG2 GLU 65 -11.752 -7.672 -7.672 495 2HG GLU 65 HG1 GLU 65 -12.937 -8.725 -8.725 496 H ASP 66 H ASP 66 -15.899 -4.959 -4.959 497 HA ASP 66 HA ASP 66 -16.691 -2.827 -2.827 498 1HB ASP 66 HB2 ASP 66 -15.848 -1.133 -1.133 499 2HB ASP 66 HB1 ASP 66 -16.026 -2.685 -2.685 500 H GLY 67 H GLY 67 -14.904 -3.713 -3.713 501 1HA GLY 67 HA1 GLY 67 -12.741 -2.144 -2.144 502 2HA GLY 67 HA2 GLY 67 -13.930 -2.744 -2.744 503 HA PRO 68 HA PRO 68 -14.170 1.935 1.935 504 1HB PRO 68 HB2 PRO 68 -12.670 2.663 2.663 505 2HB PRO 68 HB1 PRO 68 -12.019 2.623 2.623 506 1HG PRO 68 HG2 PRO 68 -11.572 0.781 0.781 507 2HG PRO 68 HG1 PRO 68 -10.635 1.006 1.006 508 1HD PRO 68 HD2 PRO 68 -12.440 -1.130 -1.130 509 2HD PRO 68 HD1 PRO 68 -11.577 -0.832 -0.832 510 H ASN 69 H ASN 69 -15.328 3.477 3.477 511 HA ASN 69 HA ASN 69 -17.172 3.864 3.864 512 1HB ASN 69 HB2 ASN 69 -15.208 3.396 3.396 513 2HB ASN 69 HB1 ASN 69 -16.079 1.878 1.878 514 1HD2 ASN 69 HD2 ASN 69 -18.002 5.506 5.506 515 2HD2 ASN 69 HD2 ASN 69 -16.916 5.301 5.301 516 H GLY 70 H GLY 70 -18.499 2.666 2.666 517 1HA GLY 70 HA1 GLY 70 -20.211 0.758 0.758 518 2HA GLY 70 HA2 GLY 70 -19.100 -0.090 -0.090 519 H PHE 71 H PHE 71 -20.472 -0.619 -0.619 520 HA PHE 71 HA PHE 71 -22.653 0.690 0.690 521 1HB PHE 71 HB2 PHE 71 -22.398 -0.673 -0.673 522 2HB PHE 71 HB1 PHE 71 -21.240 -1.452 -1.452 523 HD1 PHE 71 HD2 PHE 71 -18.869 0.319 0.319 524 HD2 PHE 71 HD1 PHE 71 -21.549 -0.942 -0.942 525 HE1 PHE 71 HE2 PHE 71 -17.060 0.638 0.638 526 HE2 PHE 71 HE1 PHE 71 -19.735 -0.619 -0.619 527 HZ PHE 71 HZ PHE 71 -17.489 0.170 0.170 Start of MODEL 11 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.563 -0.984 -0.984 3 1HB ASP 1 HB2 ASP 1 0.957 1.406 1.406 4 2HB ASP 1 HB1 ASP 1 1.856 0.251 0.251 5 H TYR 2 H TYR 2 4.664 -0.351 -0.351 6 HA TYR 2 HA TYR 2 6.481 1.075 1.075 7 1HB TYR 2 HB1 TYR 2 4.432 2.581 2.581 8 2HB TYR 2 HB2 TYR 2 4.946 3.608 3.608 9 HD1 TYR 2 HD1 TYR 2 6.149 1.936 1.936 10 HD2 TYR 2 HD2 TYR 2 7.017 4.823 4.823 11 HE1 TYR 2 HE1 TYR 2 8.065 2.783 2.783 12 HE2 TYR 2 HE2 TYR 2 8.934 5.670 5.670 13 HH TYR 2 HH TYR 2 10.374 5.160 5.160 14 H LYS 3 H LYS 3 4.064 2.952 2.952 15 HA LYS 3 HA LYS 3 4.058 3.458 3.458 16 1HB LYS 3 HB2 LYS 3 6.353 1.514 1.514 17 2HB LYS 3 HB1 LYS 3 5.306 2.176 2.176 18 1HG LYS 3 HG2 LYS 3 3.830 0.913 0.913 19 2HG LYS 3 HG1 LYS 3 4.904 -0.209 -0.209 20 1HD LYS 3 HD2 LYS 3 3.113 -0.410 -0.410 21 2HD LYS 3 HD1 LYS 3 3.756 1.090 1.090 22 1HE LYS 3 HE2 LYS 3 2.055 2.372 2.372 23 2HE LYS 3 HE1 LYS 3 1.947 1.395 1.395 24 1HZ LYS 3 HZ1 LYS 3 0.950 0.611 0.611 25 2HZ LYS 3 HZ3 LYS 3 0.020 1.144 1.144 26 3HZ LYS 3 HZ2 LYS 3 0.830 -0.302 -0.302 27 H ASP 4 H ASP 4 7.528 2.970 2.970 28 HA ASP 4 HA ASP 4 8.807 4.903 4.903 29 1HB ASP 4 HB2 ASP 4 9.533 3.464 3.464 30 2HB ASP 4 HB1 ASP 4 9.128 4.938 4.938 31 H ASP 5 H ASP 5 8.236 6.937 6.937 32 HA ASP 5 HA ASP 5 7.681 9.152 9.152 33 1HB ASP 5 HB2 ASP 5 8.870 8.816 8.816 34 2HB ASP 5 HB1 ASP 5 7.233 8.646 8.646 35 H ASP 6 H ASP 6 5.824 7.267 7.267 36 HA ASP 6 HA ASP 6 3.371 8.659 8.659 37 1HB ASP 6 HB2 ASP 6 2.330 6.848 6.848 38 2HB ASP 6 HB1 ASP 6 3.798 7.426 7.426 39 H ASP 7 H ASP 7 2.769 8.697 8.697 40 HA ASP 7 HA ASP 7 1.846 6.090 6.090 41 1HB ASP 7 HB2 ASP 7 3.742 8.040 8.040 42 2HB ASP 7 HB1 ASP 7 2.659 7.018 7.018 43 H LYS 8 H LYS 8 0.644 8.564 8.564 44 HA LYS 8 HA LYS 8 -1.573 8.804 8.804 45 1HB LYS 8 HB2 LYS 8 -1.317 11.129 11.129 46 2HB LYS 8 HB1 LYS 8 -0.208 9.960 9.960 47 1HG LYS 8 HG2 LYS 8 1.042 11.052 11.052 48 2HG LYS 8 HG1 LYS 8 0.410 12.398 12.398 49 1HD LYS 8 HD2 LYS 8 2.263 10.168 10.168 50 2HD LYS 8 HD1 LYS 8 2.713 11.862 11.862 51 1HE LYS 8 HE2 LYS 8 0.956 10.676 10.676 52 2HE LYS 8 HE1 LYS 8 2.386 11.712 11.712 53 1HZ LYS 8 HZ1 LYS 8 -0.219 12.534 12.534 54 2HZ LYS 8 HZ3 LYS 8 0.354 12.906 12.906 55 3HZ LYS 8 HZ2 LYS 8 1.110 13.515 13.515 56 H LEU 9 H LEU 9 -2.165 8.300 8.300 57 HA LEU 9 HA LEU 9 -1.989 10.627 10.627 58 1HB LEU 9 HB2 LEU 9 -2.807 7.772 7.772 59 2HB LEU 9 HB1 LEU 9 -2.974 9.033 9.033 60 HG LEU 9 HG LEU 9 -0.935 7.413 7.413 61 1HD1 LEU 9 HD1 LEU 9 -0.630 10.408 10.408 62 2HD1 LEU 9 HD1 LEU 9 0.492 9.156 9.156 63 3HD1 LEU 9 HD1 LEU 9 -1.187 9.200 9.200 64 1HD2 LEU 9 HD2 LEU 9 -0.251 7.815 7.815 65 2HD2 LEU 9 HD2 LEU 9 1.037 8.351 8.351 66 3HD2 LEU 9 HD2 LEU 9 -0.024 9.543 9.543 67 H LYS 10 H LYS 10 -4.681 8.619 8.619 68 HA LYS 10 HA LYS 10 -6.464 10.607 10.607 69 1HB LYS 10 HB2 LYS 10 -6.185 10.001 10.001 70 2HB LYS 10 HB1 LYS 10 -7.709 9.239 9.239 71 1HG LYS 10 HG2 LYS 10 -7.821 11.705 11.705 72 2HG LYS 10 HG1 LYS 10 -6.992 12.099 12.099 73 1HD LYS 10 HD2 LYS 10 -9.327 10.296 10.296 74 2HD LYS 10 HD1 LYS 10 -9.730 11.906 11.906 75 1HE LYS 10 HE2 LYS 10 -8.215 12.768 12.768 76 2HE LYS 10 HE1 LYS 10 -8.445 11.141 11.141 77 1HZ LYS 10 HZ1 LYS 10 -10.597 13.020 13.020 78 2HZ LYS 10 HZ3 LYS 10 -10.086 12.684 12.684 79 3HZ LYS 10 HZ2 LYS 10 -10.821 11.505 11.505 80 HA PRO 11 HA PRO 11 -8.402 7.262 7.262 81 1HB PRO 11 HB2 PRO 11 -11.070 8.187 8.187 82 2HB PRO 11 HB1 PRO 11 -9.787 8.749 8.749 83 1HG PRO 11 HG2 PRO 11 -11.055 10.108 10.108 84 2HG PRO 11 HG1 PRO 11 -10.097 10.778 10.778 85 1HD PRO 11 HD2 PRO 11 -9.252 10.351 10.351 86 2HD PRO 11 HD1 PRO 11 -8.279 10.920 10.920 87 H ASP 12 H ASP 12 -8.421 5.348 5.348 88 HA ASP 12 HA ASP 12 -9.694 4.889 4.889 89 1HB ASP 12 HB2 ASP 12 -9.555 2.432 2.432 90 2HB ASP 12 HB1 ASP 12 -8.063 3.328 3.328 91 H PHE 13 H PHE 13 -10.789 4.737 4.737 92 HA PHE 13 HA PHE 13 -13.116 3.117 3.117 93 1HB PHE 13 HB2 PHE 13 -13.797 4.057 4.057 94 2HB PHE 13 HB1 PHE 13 -12.044 3.997 3.997 95 HD1 PHE 13 HD1 PHE 13 -14.829 6.403 6.403 96 HD2 PHE 13 HD2 PHE 13 -10.801 5.884 5.884 97 HE1 PHE 13 HE1 PHE 13 -14.714 8.824 8.824 98 HE2 PHE 13 HE2 PHE 13 -10.695 8.307 8.307 99 HZ PHE 13 HZ PHE 13 -12.650 9.780 9.780 100 H CYS 14 H CYS 14 -12.386 6.446 6.446 101 HA CYS 14 HA CYS 14 -15.091 7.285 7.285 102 1HB CYS 14 HB2 CYS 14 -12.450 8.201 8.201 103 2HB CYS 14 HB1 CYS 14 -13.943 8.865 8.865 104 HG CYS 14 HG CYS 14 -12.728 9.233 9.233 105 H PHE 15 H PHE 15 -12.803 5.513 5.513 106 HA PHE 15 HA PHE 15 -14.662 5.526 5.526 107 1HB PHE 15 HB2 PHE 15 -12.149 3.891 3.891 108 2HB PHE 15 HB1 PHE 15 -12.925 4.465 4.465 109 HD1 PHE 15 HD1 PHE 15 -13.344 7.346 7.346 110 HD2 PHE 15 HD2 PHE 15 -9.990 4.843 4.843 111 HE1 PHE 15 HE1 PHE 15 -11.842 9.323 9.323 112 HE2 PHE 15 HE2 PHE 15 -8.495 6.827 6.827 113 HZ PHE 15 HZ PHE 15 -9.417 9.069 9.069 114 H LEU 16 H LEU 16 -14.800 4.078 4.078 115 HA LEU 16 HA LEU 16 -15.260 1.355 1.355 116 1HB LEU 16 HB2 LEU 16 -14.517 2.555 2.555 117 2HB LEU 16 HB1 LEU 16 -16.123 1.858 1.858 118 HG LEU 16 HG LEU 16 -15.261 -0.293 -0.293 119 1HD1 LEU 16 HD1 LEU 16 -12.555 1.097 1.097 120 2HD1 LEU 16 HD1 LEU 16 -12.799 -0.656 -0.656 121 3HD1 LEU 16 HD1 LEU 16 -13.373 0.493 0.493 122 1HD2 LEU 16 HD2 LEU 16 -15.431 0.060 0.060 123 2HD2 LEU 16 HD2 LEU 16 -13.983 -0.917 -0.917 124 3HD2 LEU 16 HD2 LEU 16 -13.820 0.804 0.804 125 H GLU 17 H GLU 17 -17.238 0.391 0.391 126 HA GLU 17 HA GLU 17 -19.399 1.883 1.883 127 1HB GLU 17 HB2 GLU 17 -20.756 -0.282 -0.282 128 2HB GLU 17 HB1 GLU 17 -19.619 -0.321 -0.321 129 1HG GLU 17 HG2 GLU 17 -18.004 -1.493 -1.493 130 2HG GLU 17 HG1 GLU 17 -18.611 -0.904 -0.904 131 H GLU 18 H GLU 18 -21.684 1.923 1.923 132 HA GLU 18 HA GLU 18 -21.343 3.091 3.091 133 1HB GLU 18 HB2 GLU 18 -23.349 4.202 4.202 134 2HB GLU 18 HB1 GLU 18 -22.755 4.040 4.040 135 1HG GLU 18 HG2 GLU 18 -24.113 1.731 1.731 136 2HG GLU 18 HG1 GLU 18 -25.006 2.616 2.616 137 H ASP 19 H ASP 19 -22.156 2.258 2.258 138 HA ASP 19 HA ASP 19 -23.706 -0.285 -0.285 139 1HB ASP 19 HB2 ASP 19 -21.136 -0.400 -0.400 140 2HB ASP 19 HB1 ASP 19 -21.699 0.203 0.203 141 HA PRO 20 HA PRO 20 -25.950 2.340 2.340 142 1HB PRO 20 HB2 PRO 20 -28.442 1.154 1.154 143 2HB PRO 20 HB1 PRO 20 -27.754 2.532 2.532 144 1HG PRO 20 HG2 PRO 20 -28.007 -0.286 -0.286 145 2HG PRO 20 HG1 PRO 20 -27.721 1.158 1.158 146 1HD PRO 20 HD2 PRO 20 -25.810 -0.830 -0.830 147 2HD PRO 20 HD1 PRO 20 -25.521 0.672 0.672 148 H GLY 21 H GLY 21 -24.680 -0.496 -0.496 149 1HA GLY 21 HA1 GLY 21 -24.654 -2.079 -2.079 150 2HA GLY 21 HA2 GLY 21 -25.383 -0.829 -0.829 151 H ILE 22 H ILE 22 -26.744 -2.361 -2.361 152 HA ILE 22 HA ILE 22 -28.792 -3.611 -3.611 153 HB ILE 22 HB ILE 22 -28.601 -4.358 -4.358 154 1HG1 ILE 22 HG1 ILE 22 -26.354 -4.744 -4.744 155 2HG1 ILE 22 HG1 ILE 22 -26.294 -4.386 -4.386 156 1HG2 ILE 22 HG2 ILE 22 -28.914 -5.935 -5.935 157 2HG2 ILE 22 HG2 ILE 22 -28.963 -6.634 -6.634 158 3HG2 ILE 22 HG2 ILE 22 -30.203 -5.472 -5.472 159 1HD1 ILE 22 HD1 ILE 22 -27.114 -7.057 -7.057 160 2HD1 ILE 22 HD1 ILE 22 -25.548 -6.700 -6.700 161 3HD1 ILE 22 HD1 ILE 22 -27.040 -6.714 -6.714 162 H CYS 23 H CYS 23 -28.730 -2.513 -2.513 163 HA CYS 23 HA CYS 23 -31.305 -1.908 -1.908 164 1HB CYS 23 HB2 CYS 23 -30.310 0.316 0.316 165 2HB CYS 23 HB1 CYS 23 -30.193 -1.309 -1.309 166 HG CYS 23 HG CYS 23 -27.597 -0.951 -0.951 167 H ARG 24 H ARG 24 -32.879 -0.865 -0.865 168 HA ARG 24 HA ARG 24 -32.341 0.705 0.705 169 1HB ARG 24 HB2 ARG 24 -34.772 1.434 1.434 170 2HB ARG 24 HB1 ARG 24 -34.504 -0.319 -0.319 171 1HG ARG 24 HG2 ARG 24 -34.322 0.646 0.646 172 2HG ARG 24 HG1 ARG 24 -35.861 1.140 1.140 173 1HD ARG 24 HD2 ARG 24 -36.171 -1.277 -1.277 174 2HD ARG 24 HD1 ARG 24 -34.731 -1.687 -1.687 175 HE ARG 24 HE ARG 24 -37.415 -1.143 -1.143 176 1HH1 ARG 24 HH1 ARG 24 -33.977 -0.878 -0.878 177 2HH1 ARG 24 HH1 ARG 24 -34.217 -0.902 -0.902 178 1HH2 ARG 24 HH2 ARG 24 -37.759 -1.177 -1.177 179 2HH2 ARG 24 HH2 ARG 24 -36.378 -1.073 -1.073 180 H GLY 25 H GLY 25 -34.622 2.582 2.582 181 1HA GLY 25 HA1 GLY 25 -34.594 4.759 4.759 182 2HA GLY 25 HA2 GLY 25 -33.180 4.290 4.290 183 H TYR 26 H TYR 26 -33.968 4.834 4.834 184 HA TYR 26 HA TYR 26 -31.390 5.514 5.514 185 1HB TYR 26 HB1 TYR 26 -34.012 6.784 6.784 186 2HB TYR 26 HB2 TYR 26 -32.488 6.873 6.873 187 HD1 TYR 26 HD2 TYR 26 -31.697 3.877 3.877 188 HD2 TYR 26 HD1 TYR 26 -35.172 5.722 5.722 189 HE1 TYR 26 HE2 TYR 26 -32.202 1.765 1.765 190 HE2 TYR 26 HE1 TYR 26 -35.675 3.610 3.610 191 HH TYR 26 HH TYR 26 -33.461 0.889 0.889 192 H ILE 27 H ILE 27 -30.128 7.418 7.418 193 HA ILE 27 HA ILE 27 -31.143 9.604 9.604 194 HB ILE 27 HB ILE 27 -28.292 8.722 8.722 195 1HG1 ILE 27 HG1 ILE 27 -29.612 8.033 8.033 196 2HG1 ILE 27 HG1 ILE 27 -30.446 7.274 7.274 197 1HG2 ILE 27 HG2 ILE 27 -29.847 10.470 10.470 198 2HG2 ILE 27 HG2 ILE 27 -28.143 9.974 9.974 199 3HG2 ILE 27 HG2 ILE 27 -28.621 11.004 11.004 200 1HD1 ILE 27 HD1 ILE 27 -27.446 7.107 7.107 201 2HD1 ILE 27 HD1 ILE 27 -28.646 5.819 5.819 202 3HD1 ILE 27 HD1 ILE 27 -28.273 6.329 6.329 203 H THR 28 H THR 28 -30.898 8.967 8.967 204 HA THR 28 HA THR 28 -30.132 10.000 10.000 205 HB THR 28 HB THR 28 -31.238 12.202 12.202 206 HG1 THR 28 HG1 THR 28 -31.944 10.801 10.801 207 1HG2 THR 28 HG2 THR 28 -29.896 12.380 12.380 208 2HG2 THR 28 HG2 THR 28 -31.450 13.211 13.211 209 3HG2 THR 28 HG2 THR 28 -30.075 13.659 13.659 210 H ARG 29 H ARG 29 -27.886 9.133 9.133 211 HA ARG 29 HA ARG 29 -26.062 11.347 11.347 212 1HB ARG 29 HB2 ARG 29 -25.738 8.328 8.328 213 2HB ARG 29 HB1 ARG 29 -24.346 9.418 9.418 214 1HG ARG 29 HG2 ARG 29 -26.473 10.068 10.068 215 2HG ARG 29 HG1 ARG 29 -25.938 8.384 8.384 216 1HD ARG 29 HD2 ARG 29 -23.517 9.455 9.455 217 2HD ARG 29 HD1 ARG 29 -24.364 10.948 10.948 218 HE ARG 29 HE ARG 29 -25.327 9.030 9.030 219 1HH1 ARG 29 HH1 ARG 29 -22.139 10.266 10.266 220 2HH1 ARG 29 HH1 ARG 29 -21.402 9.977 9.977 221 1HH2 ARG 29 HH2 ARG 29 -24.371 8.638 8.638 222 2HH2 ARG 29 HH2 ARG 29 -22.677 9.047 9.047 223 H TYR 30 H TYR 30 -23.747 10.944 10.944 224 HA TYR 30 HA TYR 30 -24.484 10.647 10.647 225 1HB TYR 30 HB1 TYR 30 -22.594 12.742 12.742 226 2HB TYR 30 HB2 TYR 30 -22.991 12.543 12.543 227 HD1 TYR 30 HD1 TYR 30 -24.871 13.036 13.036 228 HD2 TYR 30 HD2 TYR 30 -24.528 14.003 14.003 229 HE1 TYR 30 HE1 TYR 30 -26.779 14.607 14.607 230 HE2 TYR 30 HE2 TYR 30 -26.436 15.574 15.574 231 HH TYR 30 HH TYR 30 -27.723 16.826 16.826 232 H PHE 31 H PHE 31 -22.699 10.000 10.000 233 HA PHE 31 HA PHE 31 -20.247 8.946 8.946 234 1HB PHE 31 HB2 PHE 31 -20.628 6.714 6.714 235 2HB PHE 31 HB1 PHE 31 -22.208 7.249 7.249 236 HD1 PHE 31 HD2 PHE 31 -24.051 7.722 7.722 237 HD2 PHE 31 HD1 PHE 31 -20.364 5.704 5.704 238 HE1 PHE 31 HE2 PHE 31 -25.109 6.815 6.815 239 HE2 PHE 31 HE1 PHE 31 -21.430 4.803 4.803 240 HZ PHE 31 HZ PHE 31 -23.802 5.355 5.355 241 H TYR 32 H TYR 32 -18.532 8.779 8.779 242 HA TYR 32 HA TYR 32 -19.026 10.122 10.122 243 1HB TYR 32 HB1 TYR 32 -16.911 10.223 10.223 244 2HB TYR 32 HB2 TYR 32 -16.446 8.729 8.729 245 HD1 TYR 32 HD1 TYR 32 -17.025 12.370 12.370 246 HD2 TYR 32 HD2 TYR 32 -15.659 8.657 8.657 247 HE1 TYR 32 HE1 TYR 32 -16.028 13.625 13.625 248 HE2 TYR 32 HE2 TYR 32 -14.662 9.914 9.914 249 HH TYR 32 HH TYR 32 -13.823 12.282 12.282 250 H ASN 33 H ASN 33 -19.882 9.116 9.116 251 HA ASN 33 HA ASN 33 -19.429 6.181 6.181 252 1HB ASN 33 HB2 ASN 33 -21.798 7.268 7.268 253 2HB ASN 33 HB1 ASN 33 -21.331 7.892 7.892 254 1HD2 ASN 33 HD2 ASN 33 -23.173 4.706 4.706 255 2HD2 ASN 33 HD2 ASN 33 -23.486 6.315 6.315 256 H ASN 34 H ASN 34 -17.861 5.537 5.537 257 HA ASN 34 HA ASN 34 -16.452 7.309 7.309 258 1HB ASN 34 HB2 ASN 34 -15.361 5.352 5.352 259 2HB ASN 34 HB1 ASN 34 -15.722 4.989 4.989 260 1HD2 ASN 34 HD2 ASN 34 -18.080 2.437 2.437 261 2HD2 ASN 34 HD2 ASN 34 -17.410 3.593 3.593 262 H GLN 35 H GLN 35 -19.310 5.217 5.217 263 HA GLN 35 HA GLN 35 -19.446 5.105 5.105 264 1HB GLN 35 HB2 GLN 35 -21.193 4.567 4.567 265 2HB GLN 35 HB1 GLN 35 -22.024 5.883 5.883 266 1HG GLN 35 HG2 GLN 35 -22.654 3.623 3.623 267 2HG GLN 35 HG1 GLN 35 -21.897 4.636 4.636 268 1HE2 GLN 35 HE2 GLN 35 -19.909 1.849 1.849 269 2HE2 GLN 35 HE2 GLN 35 -21.205 2.955 2.955 270 H THR 36 H THR 36 -20.517 7.849 7.849 271 HA THR 36 HA THR 36 -20.645 9.534 9.534 272 HB THR 36 HB THR 36 -22.234 10.959 10.959 273 HG1 THR 36 HG1 THR 36 -22.499 10.448 10.448 274 1HG2 THR 36 HG2 THR 36 -22.647 7.957 7.957 275 2HG2 THR 36 HG2 THR 36 -23.764 8.894 8.894 276 3HG2 THR 36 HG2 THR 36 -23.647 9.247 9.247 277 H LYS 37 H LYS 37 -18.219 8.659 8.659 278 HA LYS 37 HA LYS 37 -16.579 9.642 9.642 279 1HB LYS 37 HB2 LYS 37 -16.676 11.232 11.232 280 2HB LYS 37 HB1 LYS 37 -15.301 11.234 11.234 281 1HG LYS 37 HG2 LYS 37 -15.581 8.578 8.578 282 2HG LYS 37 HG1 LYS 37 -16.328 9.053 9.053 283 1HD LYS 37 HD2 LYS 37 -13.569 9.936 9.936 284 2HD LYS 37 HD1 LYS 37 -13.861 8.600 8.600 285 1HE LYS 37 HE2 LYS 37 -15.211 10.447 10.447 286 2HE LYS 37 HE1 LYS 37 -14.221 11.575 11.575 287 1HZ LYS 37 HZ1 LYS 37 -13.200 9.385 9.385 288 2HZ LYS 37 HZ3 LYS 37 -13.198 11.011 11.011 289 3HZ LYS 37 HZ2 LYS 37 -12.266 10.446 10.446 290 H GLN 38 H GLN 38 -18.698 10.439 10.439 291 HA GLN 38 HA GLN 38 -17.942 12.988 12.988 292 1HB GLN 38 HB2 GLN 38 -19.294 13.530 13.530 293 2HB GLN 38 HB1 GLN 38 -20.708 13.087 13.087 294 1HG GLN 38 HG2 GLN 38 -20.495 14.933 14.933 295 2HG GLN 38 HG1 GLN 38 -18.726 14.962 14.962 296 1HE2 GLN 38 HE2 GLN 38 -17.735 16.080 16.080 297 2HE2 GLN 38 HE2 GLN 38 -18.571 17.174 17.174 298 H CYS 39 H CYS 39 -19.814 13.773 13.773 299 HA CYS 39 HA CYS 39 -20.338 11.423 11.423 300 1HB CYS 39 HB2 CYS 39 -20.817 14.372 14.372 301 2HB CYS 39 HB1 CYS 39 -21.422 13.170 13.170 302 HG CYS 39 HG CYS 39 -18.153 14.052 14.052 303 H GLU 40 H GLU 40 -22.256 10.340 10.340 304 HA GLU 40 HA GLU 40 -24.590 11.484 11.484 305 1HB GLU 40 HB2 GLU 40 -23.809 8.560 8.560 306 2HB GLU 40 HB1 GLU 40 -25.329 9.134 9.134 307 1HG GLU 40 HG2 GLU 40 -22.645 10.089 10.089 308 2HG GLU 40 HG1 GLU 40 -23.326 8.540 8.540 309 H ARG 41 H ARG 41 -26.501 11.661 11.661 310 HA ARG 41 HA ARG 41 -26.378 11.325 11.325 311 1HB ARG 41 HB2 ARG 41 -28.003 12.739 12.739 312 2HB ARG 41 HB1 ARG 41 -29.090 11.575 11.575 313 1HG ARG 41 HG2 ARG 41 -28.811 12.531 12.531 314 2HG ARG 41 HG1 ARG 41 -27.174 13.112 13.112 315 1HD ARG 41 HD2 ARG 41 -28.888 14.955 14.955 316 2HD ARG 41 HD1 ARG 41 -28.081 14.915 14.915 317 HE ARG 41 HE ARG 41 -30.517 13.313 13.313 318 1HH1 ARG 41 HH1 ARG 41 -29.219 16.581 16.581 319 2HH1 ARG 41 HH1 ARG 41 -30.592 17.185 17.185 320 1HH2 ARG 41 HH2 ARG 41 -32.350 14.092 14.092 321 2HH2 ARG 41 HH2 ARG 41 -32.381 15.763 15.763 322 H PHE 42 H PHE 42 -26.664 9.470 9.470 323 HA PHE 42 HA PHE 42 -28.620 7.445 7.445 324 1HB PHE 42 HB2 PHE 42 -27.122 5.734 5.734 325 2HB PHE 42 HB1 PHE 42 -26.088 7.044 7.044 326 HD1 PHE 42 HD2 PHE 42 -24.970 8.437 8.437 327 HD2 PHE 42 HD1 PHE 42 -26.135 4.272 4.272 328 HE1 PHE 42 HE2 PHE 42 -23.360 7.978 7.978 329 HE2 PHE 42 HE1 PHE 42 -24.523 3.823 3.823 330 HZ PHE 42 HZ PHE 42 -23.134 5.672 5.672 331 H LYS 43 H LYS 43 -29.685 6.300 6.300 332 HA LYS 43 HA LYS 43 -29.593 7.567 7.567 333 1HB LYS 43 HB2 LYS 43 -31.346 5.625 5.625 334 2HB LYS 43 HB1 LYS 43 -31.756 7.083 7.083 335 1HG LYS 43 HG2 LYS 43 -30.559 4.791 4.791 336 2HG LYS 43 HG1 LYS 43 -32.211 4.567 4.567 337 1HD LYS 43 HD2 LYS 43 -32.127 7.177 7.177 338 2HD LYS 43 HD1 LYS 43 -31.261 6.136 6.136 339 1HE LYS 43 HE2 LYS 43 -33.247 4.540 4.540 340 2HE LYS 43 HE1 LYS 43 -34.097 5.785 5.785 341 1HZ LYS 43 HZ1 LYS 43 -33.005 6.113 6.113 342 2HZ LYS 43 HZ3 LYS 43 -34.613 5.900 5.900 343 3HZ LYS 43 HZ2 LYS 43 -33.813 7.280 7.280 344 H TYR 44 H TYR 44 -28.145 7.042 7.042 345 HA TYR 44 HA TYR 44 -26.524 4.678 4.678 346 1HB TYR 44 HB1 TYR 44 -25.604 6.634 6.634 347 2HB TYR 44 HB2 TYR 44 -26.920 6.674 6.674 348 HD1 TYR 44 HD2 TYR 44 -25.561 3.365 3.365 349 HD2 TYR 44 HD1 TYR 44 -25.198 6.770 6.770 350 HE1 TYR 44 HE2 TYR 44 -24.248 1.991 1.991 351 HE2 TYR 44 HE1 TYR 44 -23.886 5.396 5.396 352 HH TYR 44 HH TYR 44 -22.784 3.353 3.353 353 H GLY 45 H GLY 45 -29.216 5.573 5.573 354 1HA GLY 45 HA1 GLY 45 -30.621 4.235 4.235 355 2HA GLY 45 HA2 GLY 45 -30.356 2.973 2.973 356 H GLY 46 H GLY 46 -28.035 1.911 1.911 357 1HA GLY 46 HA1 GLY 46 -27.808 0.410 0.410 358 2HA GLY 46 HA2 GLY 46 -26.424 0.824 0.824 359 H CYS 47 H CYS 47 -26.198 0.458 0.458 360 HA CYS 47 HA CYS 47 -25.867 3.253 3.253 361 1HB CYS 47 HB2 CYS 47 -25.499 1.757 1.757 362 2HB CYS 47 HB1 CYS 47 -27.035 2.491 2.491 363 HG CYS 47 HG CYS 47 -26.806 -0.510 -0.510 364 H LEU 48 H LEU 48 -24.250 0.426 0.426 365 HA LEU 48 HA LEU 48 -21.695 1.709 1.709 366 1HB LEU 48 HB2 LEU 48 -22.269 0.496 0.496 367 2HB LEU 48 HB1 LEU 48 -22.035 -1.004 -1.004 368 HG LEU 48 HG LEU 48 -19.843 0.882 0.882 369 1HD1 LEU 48 HD1 LEU 48 -20.426 -0.163 -0.163 370 2HD1 LEU 48 HD1 LEU 48 -18.891 0.586 0.586 371 3HD1 LEU 48 HD1 LEU 48 -20.391 1.534 1.534 372 1HD2 LEU 48 HD2 LEU 48 -19.681 -1.459 -1.459 373 2HD2 LEU 48 HD2 LEU 48 -18.473 -1.129 -1.129 374 3HD2 LEU 48 HD2 LEU 48 -19.960 -2.016 -2.016 375 H GLY 49 H GLY 49 -22.172 1.651 1.651 376 1HA GLY 49 HA1 GLY 49 -21.865 -1.036 -1.036 377 2HA GLY 49 HA2 GLY 49 -22.323 0.468 0.468 378 H ASN 50 H ASN 50 -20.754 1.124 1.124 379 HA ASN 50 HA ASN 50 -17.947 0.382 0.382 380 1HB ASN 50 HB2 ASN 50 -17.517 1.116 1.116 381 2HB ASN 50 HB1 ASN 50 -19.011 0.159 0.159 382 1HD2 ASN 50 HD2 ASN 50 -19.785 3.047 3.047 383 2HD2 ASN 50 HD2 ASN 50 -18.872 1.534 1.534 384 H MET 51 H MET 51 -16.653 2.533 2.533 385 HA MET 51 HA MET 51 -16.908 4.601 4.601 386 1HB MET 51 HB2 MET 51 -14.797 3.707 3.707 387 2HB MET 51 HB1 MET 51 -14.793 5.411 5.411 388 1HG MET 51 HG2 MET 51 -14.997 3.208 3.208 389 2HG MET 51 HG1 MET 51 -13.417 3.645 3.645 390 1HE MET 51 HE1 MET 51 -12.296 6.036 6.036 391 2HE MET 51 HE3 MET 51 -12.372 6.671 6.671 392 3HE MET 51 HE2 MET 51 -12.001 4.959 4.959 393 H ASN 52 H ASN 52 -17.083 4.130 4.130 394 HA ASN 52 HA ASN 52 -17.393 6.885 6.885 395 1HB ASN 52 HB2 ASN 52 -17.048 4.702 4.702 396 2HB ASN 52 HB1 ASN 52 -18.823 4.687 4.687 397 1HD2 ASN 52 HD2 ASN 52 -18.527 6.653 6.653 398 2HD2 ASN 52 HD2 ASN 52 -18.875 5.069 5.069 399 H ASN 53 H ASN 53 -18.817 7.350 7.350 400 HA ASN 53 HA ASN 53 -21.619 7.389 7.389 401 1HB ASN 53 HB2 ASN 53 -21.792 5.455 5.455 402 2HB ASN 53 HB1 ASN 53 -20.637 6.100 6.100 403 1HD2 ASN 53 HD2 ASN 53 -23.178 7.257 7.257 404 2HD2 ASN 53 HD2 ASN 53 -21.604 6.489 6.489 405 H PHE 54 H PHE 54 -20.984 9.656 9.656 406 HA PHE 54 HA PHE 54 -20.297 11.255 11.255 407 1HB PHE 54 HB2 PHE 54 -20.916 12.111 12.111 408 2HB PHE 54 HB1 PHE 54 -20.209 13.093 13.093 409 HD1 PHE 54 HD1 PHE 54 -19.535 10.364 10.364 410 HD2 PHE 54 HD2 PHE 54 -17.865 12.862 12.862 411 HE1 PHE 54 HE1 PHE 54 -17.243 9.693 9.693 412 HE2 PHE 54 HE2 PHE 54 -15.576 12.186 12.186 413 HZ PHE 54 HZ PHE 54 -15.261 10.602 10.602 414 H GLU 55 H GLU 55 -21.634 13.372 13.372 415 HA GLU 55 HA GLU 55 -24.491 12.569 12.569 416 1HB GLU 55 HB2 GLU 55 -23.474 14.853 14.853 417 2HB GLU 55 HB1 GLU 55 -24.827 13.745 13.745 418 1HG GLU 55 HG2 GLU 55 -23.288 11.941 11.941 419 2HG GLU 55 HG1 GLU 55 -21.895 12.916 12.916 420 H THR 56 H THR 56 -22.104 14.824 14.824 421 HA THR 56 HA THR 56 -24.301 16.353 16.353 422 HB THR 56 HB THR 56 -22.344 18.273 18.273 423 HG1 THR 56 HG1 THR 56 -21.423 17.861 17.861 424 1HG2 THR 56 HG2 THR 56 -24.588 17.358 17.358 425 2HG2 THR 56 HG2 THR 56 -23.432 18.539 18.539 426 3HG2 THR 56 HG2 THR 56 -24.383 18.944 18.944 427 H LEU 57 H LEU 57 -23.899 16.986 16.986 428 HA LEU 57 HA LEU 57 -22.274 15.180 15.180 429 1HB LEU 57 HB2 LEU 57 -24.314 16.257 16.257 430 2HB LEU 57 HB1 LEU 57 -23.446 17.803 17.803 431 HG LEU 57 HG LEU 57 -21.822 16.356 16.356 432 1HD1 LEU 57 HD1 LEU 57 -24.512 14.988 14.988 433 2HD1 LEU 57 HD1 LEU 57 -23.094 14.807 14.807 434 3HD1 LEU 57 HD1 LEU 57 -23.021 14.246 14.246 435 1HD2 LEU 57 HD2 LEU 57 -22.900 18.438 18.438 436 2HD2 LEU 57 HD2 LEU 57 -23.015 17.216 17.216 437 3HD2 LEU 57 HD2 LEU 57 -24.428 17.582 17.582 438 H GLU 58 H GLU 58 -21.866 18.704 18.704 439 HA GLU 58 HA GLU 58 -19.408 19.041 19.041 440 1HB GLU 58 HB2 GLU 58 -21.048 20.667 20.667 441 2HB GLU 58 HB1 GLU 58 -19.729 20.450 20.450 442 1HG GLU 58 HG2 GLU 58 -18.102 21.149 21.149 443 2HG GLU 58 HG1 GLU 58 -19.445 21.383 21.383 444 H GLU 59 H GLU 59 -20.140 17.899 17.899 445 HA GLU 59 HA GLU 59 -17.474 17.723 17.723 446 1HB GLU 59 HB2 GLU 59 -19.683 17.438 17.438 447 2HB GLU 59 HB1 GLU 59 -19.605 15.739 15.739 448 1HG GLU 59 HG2 GLU 59 -18.048 17.188 17.188 449 2HG GLU 59 HG1 GLU 59 -18.316 15.444 15.444 450 H CYS 60 H CYS 60 -19.588 15.241 15.241 451 HA CYS 60 HA CYS 60 -17.694 13.176 13.176 452 1HB CYS 60 HB2 CYS 60 -19.881 12.591 12.591 453 2HB CYS 60 HB1 CYS 60 -20.039 13.858 13.858 454 HG CYS 60 HG CYS 60 -18.861 10.681 10.681 455 H LYS 61 H LYS 61 -18.025 16.069 16.069 456 HA LYS 61 HA LYS 61 -16.157 15.097 15.097 457 1HB LYS 61 HB2 LYS 61 -17.622 17.677 17.677 458 2HB LYS 61 HB1 LYS 61 -16.288 17.603 17.603 459 1HG LYS 61 HG2 LYS 61 -17.462 15.640 15.640 460 2HG LYS 61 HG1 LYS 61 -18.827 15.915 15.915 461 1HD LYS 61 HD2 LYS 61 -18.982 18.267 18.267 462 2HD LYS 61 HD1 LYS 61 -17.723 17.843 17.843 463 1HE LYS 61 HE2 LYS 61 -19.197 16.694 16.694 464 2HE LYS 61 HE1 LYS 61 -19.955 15.909 15.909 465 1HZ LYS 61 HZ1 LYS 61 -20.450 18.677 18.677 466 2HZ LYS 61 HZ3 LYS 61 -21.463 17.370 17.370 467 3HZ LYS 61 HZ2 LYS 61 -21.177 17.945 17.945 468 H ASN 62 H ASN 62 -16.115 17.458 17.458 469 HA ASN 62 HA ASN 62 -13.499 18.409 18.409 470 1HB ASN 62 HB2 ASN 62 -15.284 19.054 19.054 471 2HB ASN 62 HB1 ASN 62 -14.757 17.624 17.624 472 1HD2 ASN 62 HD2 ASN 62 -12.580 21.117 21.117 473 2HD2 ASN 62 HD2 ASN 62 -14.054 20.847 20.847 474 H ILE 63 H ILE 63 -14.692 15.395 15.395 475 HA ILE 63 HA ILE 63 -12.002 14.623 14.623 476 HB ILE 63 HB ILE 63 -14.717 13.486 13.486 477 1HG1 ILE 63 HG1 ILE 63 -14.358 13.655 13.655 478 2HG1 ILE 63 HG1 ILE 63 -12.594 13.575 13.575 479 1HG2 ILE 63 HG2 ILE 63 -12.182 11.848 11.848 480 2HG2 ILE 63 HG2 ILE 63 -13.813 11.368 11.368 481 3HG2 ILE 63 HG2 ILE 63 -13.465 11.549 11.549 482 1HD1 ILE 63 HD1 ILE 63 -14.374 15.899 15.899 483 2HD1 ILE 63 HD1 ILE 63 -13.343 15.868 15.868 484 3HD1 ILE 63 HD1 ILE 63 -12.607 15.836 15.836 485 H CYS 64 H CYS 64 -14.459 13.516 13.516 486 HA CYS 64 HA CYS 64 -12.508 11.745 11.745 487 1HB CYS 64 HB2 CYS 64 -15.255 12.565 12.565 488 2HB CYS 64 HB1 CYS 64 -14.266 11.240 11.240 489 HG CYS 64 HG CYS 64 -16.574 10.958 10.958 490 H GLU 65 H GLU 65 -14.626 14.015 14.015 491 HA GLU 65 HA GLU 65 -13.068 14.536 14.536 492 1HB GLU 65 HB2 GLU 65 -15.061 16.102 16.102 493 2HB GLU 65 HB1 GLU 65 -13.904 17.126 17.126 494 1HG GLU 65 HG2 GLU 65 -14.650 14.932 14.932 495 2HG GLU 65 HG1 GLU 65 -16.134 15.637 15.637 496 H ASP 66 H ASP 66 -12.488 15.731 15.731 497 HA ASP 66 HA ASP 66 -10.757 16.955 16.955 498 1HB ASP 66 HB2 ASP 66 -8.524 16.272 16.272 499 2HB ASP 66 HB1 ASP 66 -9.590 14.862 14.862 500 H GLY 67 H GLY 67 -11.262 19.099 19.099 501 1HA GLY 67 HA1 GLY 67 -11.195 20.419 20.419 502 2HA GLY 67 HA2 GLY 67 -10.729 21.175 21.175 503 HA PRO 68 HA PRO 68 -6.643 21.428 21.428 504 1HB PRO 68 HB2 PRO 68 -5.242 21.569 21.569 505 2HB PRO 68 HB1 PRO 68 -6.076 22.944 22.944 506 1HG PRO 68 HG2 PRO 68 -6.830 21.334 21.334 507 2HG PRO 68 HG1 PRO 68 -7.400 22.934 22.934 508 1HD PRO 68 HD2 PRO 68 -8.783 20.439 20.439 509 2HD PRO 68 HD1 PRO 68 -9.291 22.029 22.029 510 H ASN 69 H ASN 69 -4.726 20.278 20.278 511 HA ASN 69 HA ASN 69 -4.991 17.413 17.413 512 1HB ASN 69 HB2 ASN 69 -3.155 19.146 19.146 513 2HB ASN 69 HB1 ASN 69 -2.719 17.461 17.461 514 1HD2 ASN 69 HD2 ASN 69 -5.030 18.243 18.243 515 2HD2 ASN 69 HD2 ASN 69 -3.824 19.277 19.277 516 H GLY 70 H GLY 70 -4.718 18.434 18.434 517 1HA GLY 70 HA1 GLY 70 -1.912 17.732 17.732 518 2HA GLY 70 HA2 GLY 70 -2.618 19.240 19.240 519 H PHE 71 H PHE 71 -4.677 16.426 16.426 520 HA PHE 71 HA PHE 71 -4.506 15.113 15.113 521 1HB PHE 71 HB2 PHE 71 -6.139 16.093 16.093 522 2HB PHE 71 HB1 PHE 71 -5.270 17.477 17.477 523 HD1 PHE 71 HD2 PHE 71 -6.502 17.398 17.398 524 HD2 PHE 71 HD1 PHE 71 -8.246 17.219 17.219 525 HE1 PHE 71 HE2 PHE 71 -8.616 18.361 18.361 526 HE2 PHE 71 HE1 PHE 71 -10.355 18.181 18.181 527 HZ PHE 71 HZ PHE 71 -10.545 18.754 18.754 Start of MODEL 12 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.055 -0.989 -0.989 3 1HB ASP 1 HB2 ASP 1 0.551 0.848 0.848 4 2HB ASP 1 HB1 ASP 1 1.682 2.024 2.024 5 H TYR 2 H TYR 2 3.085 2.176 2.176 6 HA TYR 2 HA TYR 2 5.662 1.051 1.051 7 1HB TYR 2 HB1 TYR 2 5.816 1.322 1.322 8 2HB TYR 2 HB2 TYR 2 5.598 3.049 3.049 9 HD1 TYR 2 HD1 TYR 2 7.809 0.379 0.379 10 HD2 TYR 2 HD2 TYR 2 7.513 4.341 4.341 11 HE1 TYR 2 HE1 TYR 2 10.246 0.702 0.702 12 HE2 TYR 2 HE2 TYR 2 9.951 4.662 4.662 13 HH TYR 2 HH TYR 2 11.981 3.573 3.573 14 H LYS 3 H LYS 3 3.956 4.130 4.130 15 HA LYS 3 HA LYS 3 4.193 6.193 6.193 16 1HB LYS 3 HB2 LYS 3 3.072 6.309 6.309 17 2HB LYS 3 HB1 LYS 3 2.351 4.984 4.984 18 1HG LYS 3 HG2 LYS 3 4.629 4.118 4.118 19 2HG LYS 3 HG1 LYS 3 3.325 4.837 4.837 20 1HD LYS 3 HD2 LYS 3 1.714 3.298 3.298 21 2HD LYS 3 HD1 LYS 3 3.120 2.513 2.513 22 1HE LYS 3 HE2 LYS 3 2.404 2.653 2.653 23 2HE LYS 3 HE1 LYS 3 2.475 1.205 1.205 24 1HZ LYS 3 HZ1 LYS 3 4.763 2.937 2.937 25 2HZ LYS 3 HZ3 LYS 3 4.421 1.439 1.439 26 3HZ LYS 3 HZ2 LYS 3 4.841 1.573 1.573 27 H ASP 4 H ASP 4 4.865 6.573 6.573 28 HA ASP 4 HA ASP 4 7.416 7.493 7.493 29 1HB ASP 4 HB2 ASP 4 7.635 7.072 7.072 30 2HB ASP 4 HB1 ASP 4 5.975 7.578 7.578 31 H ASP 5 H ASP 5 6.499 4.065 4.065 32 HA ASP 5 HA ASP 5 7.726 2.133 2.133 33 1HB ASP 5 HB2 ASP 5 9.072 1.804 1.804 34 2HB ASP 5 HB1 ASP 5 8.047 3.153 3.153 35 H ASP 6 H ASP 6 9.859 1.111 1.111 36 HA ASP 6 HA ASP 6 11.051 2.471 2.471 37 1HB ASP 6 HB2 ASP 6 12.803 0.605 0.605 38 2HB ASP 6 HB1 ASP 6 11.142 0.148 0.148 39 H ASP 7 H ASP 7 12.736 3.873 3.873 40 HA ASP 7 HA ASP 7 14.600 3.973 3.973 41 1HB ASP 7 HB2 ASP 7 13.976 6.536 6.536 42 2HB ASP 7 HB1 ASP 7 14.302 6.188 6.188 43 H LYS 8 H LYS 8 16.332 5.897 5.897 44 HA LYS 8 HA LYS 8 17.919 6.483 6.483 45 1HB LYS 8 HB2 LYS 8 16.399 4.992 4.992 46 2HB LYS 8 HB1 LYS 8 17.632 6.249 6.249 47 1HG LYS 8 HG2 LYS 8 15.018 6.706 6.706 48 2HG LYS 8 HG1 LYS 8 15.194 6.995 6.995 49 1HD LYS 8 HD2 LYS 8 16.848 8.304 8.304 50 2HD LYS 8 HD1 LYS 8 15.503 9.072 9.072 51 1HE LYS 8 HE2 LYS 8 16.949 9.725 9.725 52 2HE LYS 8 HE1 LYS 8 17.303 8.023 8.023 53 1HZ LYS 8 HZ1 LYS 8 18.626 9.671 9.671 54 2HZ LYS 8 HZ3 LYS 8 19.269 9.249 9.249 55 3HZ LYS 8 HZ2 LYS 8 18.975 8.083 8.083 56 H LEU 9 H LEU 9 16.764 3.133 3.133 57 HA LEU 9 HA LEU 9 19.555 2.250 2.250 58 1HB LEU 9 HB2 LEU 9 18.456 0.034 0.034 59 2HB LEU 9 HB1 LEU 9 18.435 1.365 1.365 60 HG LEU 9 HG LEU 9 16.163 1.814 1.814 61 1HD1 LEU 9 HD1 LEU 9 16.273 -0.192 -0.192 62 2HD1 LEU 9 HD1 LEU 9 14.791 0.600 0.600 63 3HD1 LEU 9 HD1 LEU 9 16.085 1.568 1.568 64 1HD2 LEU 9 HD2 LEU 9 16.537 -0.075 -0.075 65 2HD2 LEU 9 HD2 LEU 9 15.041 -0.338 -0.338 66 3HD2 LEU 9 HD2 LEU 9 16.526 -1.212 -1.212 67 H LYS 10 H LYS 10 20.023 0.054 0.054 68 HA LYS 10 HA LYS 10 20.267 -1.046 -1.046 69 1HB LYS 10 HB2 LYS 10 17.521 -0.930 -0.930 70 2HB LYS 10 HB1 LYS 10 17.718 -0.456 -0.456 71 1HG LYS 10 HG2 LYS 10 19.489 -2.595 -2.595 72 2HG LYS 10 HG1 LYS 10 18.108 -3.071 -3.071 73 1HD LYS 10 HD2 LYS 10 17.723 -3.902 -3.902 74 2HD LYS 10 HD1 LYS 10 16.604 -2.552 -2.552 75 1HE LYS 10 HE2 LYS 10 17.419 -1.899 -1.899 76 2HE LYS 10 HE1 LYS 10 18.689 -1.180 -1.180 77 1HZ LYS 10 HZ1 LYS 10 18.789 -3.847 -3.847 78 2HZ LYS 10 HZ3 LYS 10 19.589 -2.477 -2.477 79 3HZ LYS 10 HZ2 LYS 10 19.990 -3.175 -3.175 80 HA PRO 11 HA PRO 11 21.949 2.153 2.153 81 1HB PRO 11 HB2 PRO 11 22.595 0.513 0.513 82 2HB PRO 11 HB1 PRO 11 23.620 0.699 0.699 83 1HG PRO 11 HG2 PRO 11 21.931 -1.561 -1.561 84 2HG PRO 11 HG1 PRO 11 23.259 -1.505 -1.505 85 1HD PRO 11 HD2 PRO 11 20.452 -1.606 -1.606 86 2HD PRO 11 HD1 PRO 11 21.788 -1.444 -1.444 87 H ASP 12 H ASP 12 20.663 3.653 3.653 88 HA ASP 12 HA ASP 12 18.205 3.046 3.046 89 1HB ASP 12 HB2 ASP 12 18.540 5.479 5.479 90 2HB ASP 12 HB1 ASP 12 18.274 5.186 5.186 91 H PHE 13 H PHE 13 21.555 3.399 3.399 92 HA PHE 13 HA PHE 13 21.180 3.933 3.933 93 1HB PHE 13 HB2 PHE 13 23.372 3.214 3.214 94 2HB PHE 13 HB1 PHE 13 23.324 3.804 3.804 95 HD1 PHE 13 HD1 PHE 13 22.764 0.525 0.525 96 HD2 PHE 13 HD2 PHE 13 24.357 2.541 2.541 97 HE1 PHE 13 HE1 PHE 13 23.647 -1.635 -1.635 98 HE2 PHE 13 HE2 PHE 13 25.237 0.376 0.376 99 HZ PHE 13 HZ PHE 13 24.885 -1.714 -1.714 100 H CYS 14 H CYS 14 20.564 1.026 1.026 101 HA CYS 14 HA CYS 14 20.561 -0.812 -0.812 102 1HB CYS 14 HB2 CYS 14 19.453 -0.814 -0.814 103 2HB CYS 14 HB1 CYS 14 19.007 -2.105 -2.105 104 HG CYS 14 HG CYS 14 21.974 -2.507 -2.507 105 H PHE 15 H PHE 15 18.086 1.313 1.313 106 HA PHE 15 HA PHE 15 15.909 0.264 0.264 107 1HB PHE 15 HB2 PHE 15 15.931 2.772 2.772 108 2HB PHE 15 HB1 PHE 15 14.552 1.831 1.831 109 HD1 PHE 15 HD1 PHE 15 15.217 -0.955 -0.955 110 HD2 PHE 15 HD2 PHE 15 15.950 2.685 2.685 111 HE1 PHE 15 HE1 PHE 15 15.215 -2.243 -2.243 112 HE2 PHE 15 HE2 PHE 15 15.946 1.388 1.388 113 HZ PHE 15 HZ PHE 15 15.580 -1.076 -1.076 114 H LEU 16 H LEU 16 18.643 2.093 2.093 115 HA LEU 16 HA LEU 16 17.425 4.232 4.232 116 1HB LEU 16 HB2 LEU 16 19.897 3.697 3.697 117 2HB LEU 16 HB1 LEU 16 20.159 3.533 3.533 118 HG LEU 16 HG LEU 16 18.681 5.850 5.850 119 1HD1 LEU 16 HD1 LEU 16 20.755 5.783 5.783 120 2HD1 LEU 16 HD1 LEU 16 19.913 7.248 7.248 121 3HD1 LEU 16 HD1 LEU 16 18.996 5.933 5.933 122 1HD2 LEU 16 HD2 LEU 16 20.532 5.518 5.518 123 2HD2 LEU 16 HD2 LEU 16 20.790 7.019 7.019 124 3HD2 LEU 16 HD2 LEU 16 21.708 5.553 5.553 125 H GLU 17 H GLU 17 16.527 4.131 4.131 126 HA GLU 17 HA GLU 17 16.161 1.792 1.792 127 1HB GLU 17 HB2 GLU 17 16.012 3.463 3.463 128 2HB GLU 17 HB1 GLU 17 14.792 3.470 3.470 129 1HG GLU 17 HG2 GLU 17 17.167 5.171 5.171 130 2HG GLU 17 HG1 GLU 17 16.199 5.678 5.678 131 H GLU 18 H GLU 18 17.381 0.470 0.470 132 HA GLU 18 HA GLU 18 20.052 0.399 0.399 133 1HB GLU 18 HB2 GLU 18 19.940 -1.064 -1.064 134 2HB GLU 18 HB1 GLU 18 18.269 -1.106 -1.106 135 1HG GLU 18 HG2 GLU 18 19.268 0.698 0.698 136 2HG GLU 18 HG1 GLU 18 18.467 -0.864 -0.864 137 H ASP 19 H ASP 19 21.818 1.332 1.332 138 HA ASP 19 HA ASP 19 21.275 3.404 3.404 139 1HB ASP 19 HB2 ASP 19 21.415 4.296 4.296 140 2HB ASP 19 HB1 ASP 19 23.153 4.010 4.010 141 HA PRO 20 HA PRO 20 24.862 0.825 0.825 142 1HB PRO 20 HB2 PRO 20 24.452 1.150 1.150 143 2HB PRO 20 HB1 PRO 20 23.757 -0.169 -0.169 144 1HG PRO 20 HG2 PRO 20 22.469 2.220 2.220 145 2HG PRO 20 HG1 PRO 20 21.748 0.708 0.708 146 1HD PRO 20 HD2 PRO 20 21.787 3.246 3.246 147 2HD PRO 20 HD1 PRO 20 21.166 1.702 1.702 148 H GLY 21 H GLY 21 24.127 3.541 3.541 149 1HA GLY 21 HA1 GLY 21 26.016 5.374 5.374 150 2HA GLY 21 HA2 GLY 21 26.900 4.314 4.314 151 H ILE 22 H ILE 22 27.156 6.232 6.232 152 HA ILE 22 HA ILE 22 24.635 6.917 6.917 153 HB ILE 22 HB ILE 22 27.051 8.560 8.560 154 1HG1 ILE 22 HG1 ILE 22 25.363 8.695 8.695 155 2HG1 ILE 22 HG1 ILE 22 27.032 8.100 8.100 156 1HG2 ILE 22 HG2 ILE 22 24.089 9.198 9.198 157 2HG2 ILE 22 HG2 ILE 22 25.372 10.400 10.400 158 3HG2 ILE 22 HG2 ILE 22 25.016 9.147 9.147 159 1HD1 ILE 22 HD1 ILE 22 26.098 10.930 10.930 160 2HD1 ILE 22 HD1 ILE 22 26.955 10.445 10.445 161 3HD1 ILE 22 HD1 ILE 22 27.773 10.349 10.349 162 H CYS 23 H CYS 23 27.876 5.569 5.569 163 HA CYS 23 HA CYS 23 27.816 5.611 5.611 164 1HB CYS 23 HB2 CYS 23 29.929 4.218 4.218 165 2HB CYS 23 HB1 CYS 23 29.951 5.918 5.918 166 HG CYS 23 HG CYS 23 30.479 3.132 3.132 167 H ARG 24 H ARG 24 29.163 2.707 2.707 168 HA ARG 24 HA ARG 24 26.781 1.110 1.110 169 1HB ARG 24 HB2 ARG 24 27.560 -0.289 -0.289 170 2HB ARG 24 HB1 ARG 24 26.627 1.193 1.193 171 1HG ARG 24 HG2 ARG 24 29.487 1.759 1.759 172 2HG ARG 24 HG1 ARG 24 29.167 0.522 0.522 173 1HD ARG 24 HD2 ARG 24 27.170 2.327 2.327 174 2HD ARG 24 HD1 ARG 24 28.437 3.414 3.414 175 HE ARG 24 HE ARG 24 29.589 3.075 3.075 176 1HH1 ARG 24 HH1 ARG 24 27.396 0.355 0.355 177 2HH1 ARG 24 HH1 ARG 24 27.756 -0.454 -0.454 178 1HH2 ARG 24 HH2 ARG 24 30.082 2.020 2.020 179 2HH2 ARG 24 HH2 ARG 24 29.289 0.497 0.497 180 H GLY 25 H GLY 25 27.638 -1.393 -1.393 181 1HA GLY 25 HA1 GLY 25 29.799 -2.678 -2.678 182 2HA GLY 25 HA2 GLY 25 30.133 -1.588 -1.588 183 H TYR 26 H TYR 26 27.629 -3.899 -3.899 184 HA TYR 26 HA TYR 26 26.501 -4.187 -4.187 185 1HB TYR 26 HB1 TYR 26 26.083 -5.895 -5.895 186 2HB TYR 26 HB2 TYR 26 25.088 -5.925 -5.925 187 HD1 TYR 26 HD2 TYR 26 25.546 -2.639 -2.639 188 HD2 TYR 26 HD1 TYR 26 23.833 -5.492 -5.492 189 HE1 TYR 26 HE2 TYR 26 24.075 -0.867 -0.867 190 HE2 TYR 26 HE1 TYR 26 22.364 -3.719 -3.719 191 HH TYR 26 HH TYR 26 22.322 -1.139 -1.139 192 H ILE 27 H ILE 27 26.903 -5.745 -5.745 193 HA ILE 27 HA ILE 27 28.815 -7.864 -7.864 194 HB ILE 27 HB ILE 27 29.051 -6.314 -6.314 195 1HG1 ILE 27 HG1 ILE 27 30.852 -5.935 -5.935 196 2HG1 ILE 27 HG1 ILE 27 29.411 -4.937 -4.937 197 1HG2 ILE 27 HG2 ILE 27 30.940 -8.242 -8.242 198 2HG2 ILE 27 HG2 ILE 27 31.329 -7.319 -7.319 199 3HG2 ILE 27 HG2 ILE 27 30.040 -8.538 -8.538 200 1HD1 ILE 27 HD1 ILE 27 31.763 -5.254 -5.254 201 2HD1 ILE 27 HD1 ILE 27 31.448 -3.843 -3.843 202 3HD1 ILE 27 HD1 ILE 27 30.334 -4.239 -4.239 203 H THR 28 H THR 28 25.818 -7.565 -7.565 204 HA THR 28 HA THR 28 24.159 -8.667 -8.667 205 HB THR 28 HB THR 28 26.373 -10.773 -10.773 206 HG1 THR 28 HG1 THR 28 24.757 -11.389 -11.389 207 1HG2 THR 28 HG2 THR 28 23.587 -10.841 -10.841 208 2HG2 THR 28 HG2 THR 28 24.053 -12.176 -12.176 209 3HG2 THR 28 HG2 THR 28 24.991 -11.868 -11.868 210 H ARG 29 H ARG 29 25.002 -6.755 -6.755 211 HA ARG 29 HA ARG 29 25.980 -7.894 -7.894 212 1HB ARG 29 HB2 ARG 29 25.160 -5.071 -5.071 213 2HB ARG 29 HB1 ARG 29 25.736 -5.510 -5.510 214 1HG ARG 29 HG2 ARG 29 27.275 -5.843 -5.843 215 2HG ARG 29 HG1 ARG 29 27.560 -4.581 -4.581 216 1HD ARG 29 HD2 ARG 29 28.149 -6.330 -6.330 217 2HD ARG 29 HD1 ARG 29 27.831 -7.591 -7.591 218 HE ARG 29 HE ARG 29 29.854 -7.103 -7.103 219 1HH1 ARG 29 HH1 ARG 29 29.045 -4.617 -4.617 220 2HH1 ARG 29 HH1 ARG 29 30.621 -3.822 -3.822 221 1HH2 ARG 29 HH2 ARG 29 31.954 -6.065 -6.065 222 2HH2 ARG 29 HH2 ARG 29 32.283 -4.649 -4.649 223 H TYR 30 H TYR 30 24.694 -6.873 -6.873 224 HA TYR 30 HA TYR 30 21.804 -7.365 -7.365 225 1HB TYR 30 HB1 TYR 30 23.402 -8.365 -8.365 226 2HB TYR 30 HB2 TYR 30 21.669 -8.550 -8.550 227 HD1 TYR 30 HD1 TYR 30 24.854 -9.368 -9.368 228 HD2 TYR 30 HD2 TYR 30 20.830 -10.550 -10.550 229 HE1 TYR 30 HE1 TYR 30 25.173 -11.516 -11.516 230 HE2 TYR 30 HE2 TYR 30 21.150 -12.698 -12.698 231 HH TYR 30 HH TYR 30 24.220 -13.531 -13.531 232 H PHE 31 H PHE 31 20.309 -6.401 -6.401 233 HA PHE 31 HA PHE 31 21.417 -4.245 -4.245 234 1HB PHE 31 HB2 PHE 31 20.546 -2.431 -2.431 235 2HB PHE 31 HB1 PHE 31 21.284 -3.387 -3.387 236 HD1 PHE 31 HD2 PHE 31 19.787 -4.960 -4.960 237 HD2 PHE 31 HD1 PHE 31 18.219 -1.831 -1.831 238 HE1 PHE 31 HE2 PHE 31 17.649 -4.996 -4.996 239 HE2 PHE 31 HE1 PHE 31 16.085 -1.875 -1.875 240 HZ PHE 31 HZ PHE 31 15.796 -3.455 -3.455 241 H TYR 32 H TYR 32 19.862 -3.506 -3.506 242 HA TYR 32 HA TYR 32 17.662 -5.427 -5.427 243 1HB TYR 32 HB1 TYR 32 19.171 -4.549 -4.549 244 2HB TYR 32 HB2 TYR 32 18.334 -3.013 -3.013 245 HD1 TYR 32 HD2 TYR 32 15.960 -2.741 -2.741 246 HD2 TYR 32 HD1 TYR 32 18.025 -6.499 -6.499 247 HE1 TYR 32 HE2 TYR 32 14.164 -3.504 -3.504 248 HE2 TYR 32 HE1 TYR 32 16.228 -7.261 -7.261 249 HH TYR 32 HH TYR 32 14.082 -6.798 -6.798 250 H ASN 33 H ASN 33 15.967 -5.121 -5.121 251 HA ASN 33 HA ASN 33 15.080 -2.344 -2.344 252 1HB ASN 33 HB2 ASN 33 15.315 -4.196 -4.196 253 2HB ASN 33 HB1 ASN 33 13.873 -4.923 -4.923 254 1HD2 ASN 33 HD2 ASN 33 12.592 -2.901 -2.901 255 2HD2 ASN 33 HD2 ASN 33 13.490 -4.393 -4.393 256 H ASN 34 H ASN 34 13.479 -1.431 -1.431 257 HA ASN 34 HA ASN 34 12.076 -2.921 -2.921 258 1HB ASN 34 HB2 ASN 34 10.939 -0.860 -0.860 259 2HB ASN 34 HB1 ASN 34 12.582 -0.397 -0.397 260 1HD2 ASN 34 HD2 ASN 34 9.468 1.263 1.263 261 2HD2 ASN 34 HD2 ASN 34 9.553 0.559 0.559 262 H GLN 35 H GLN 35 11.466 -2.095 -2.095 263 HA GLN 35 HA GLN 35 8.741 -2.246 -2.246 264 1HB GLN 35 HB2 GLN 35 10.722 -2.180 -2.180 265 2HB GLN 35 HB1 GLN 35 10.267 -3.888 -3.888 266 1HG GLN 35 HG2 GLN 35 7.905 -3.196 -3.196 267 2HG GLN 35 HG1 GLN 35 8.386 -1.495 -1.495 268 1HE2 GLN 35 HE2 GLN 35 9.465 -3.765 -3.765 269 2HE2 GLN 35 HE2 GLN 35 9.101 -4.505 -4.505 270 H THR 36 H THR 36 11.048 -4.988 -4.988 271 HA THR 36 HA THR 36 8.694 -6.778 -6.778 272 HB THR 36 HB THR 36 10.240 -8.627 -8.627 273 HG1 THR 36 HG1 THR 36 12.233 -8.094 -8.094 274 1HG2 THR 36 HG2 THR 36 9.927 -6.128 -6.128 275 2HG2 THR 36 HG2 THR 36 11.092 -7.349 -7.349 276 3HG2 THR 36 HG2 THR 36 9.382 -7.788 -7.788 277 H LYS 37 H LYS 37 11.151 -5.009 -5.009 278 HA LYS 37 HA LYS 37 11.892 -4.977 -4.977 279 1HB LYS 37 HB2 LYS 37 9.505 -6.770 -6.770 280 2HB LYS 37 HB1 LYS 37 10.598 -6.483 -6.483 281 1HG LYS 37 HG2 LYS 37 9.808 -4.376 -4.376 282 2HG LYS 37 HG1 LYS 37 9.908 -4.012 -4.012 283 1HD LYS 37 HD2 LYS 37 7.595 -3.869 -3.869 284 2HD LYS 37 HD1 LYS 37 7.780 -5.480 -5.480 285 1HE LYS 37 HE2 LYS 37 7.233 -4.690 -4.690 286 2HE LYS 37 HE1 LYS 37 6.515 -5.994 -5.994 287 1HZ LYS 37 HZ1 LYS 37 9.270 -5.948 -5.948 288 2HZ LYS 37 HZ3 LYS 37 7.990 -6.828 -6.828 289 3HZ LYS 37 HZ2 LYS 37 8.601 -7.180 -7.180 290 H GLN 38 H GLN 38 13.366 -6.423 -6.423 291 HA GLN 38 HA GLN 38 14.797 -8.196 -8.196 292 1HB GLN 38 HB2 GLN 38 12.762 -9.460 -9.460 293 2HB GLN 38 HB1 GLN 38 14.149 -9.699 -9.699 294 1HG GLN 38 HG2 GLN 38 14.939 -11.311 -11.311 295 2HG GLN 38 HG1 GLN 38 15.015 -10.151 -10.151 296 1HE2 GLN 38 HE2 GLN 38 12.609 -13.227 -13.227 297 2HE2 GLN 38 HE2 GLN 38 14.152 -13.087 -13.087 298 H CYS 39 H CYS 39 16.564 -9.433 -9.433 299 HA CYS 39 HA CYS 39 17.809 -7.165 -7.165 300 1HB CYS 39 HB2 CYS 39 18.771 -9.911 -9.911 301 2HB CYS 39 HB1 CYS 39 19.728 -8.810 -8.810 302 HG CYS 39 HG CYS 39 19.094 -8.673 -8.673 303 H GLU 40 H GLU 40 17.571 -6.825 -6.825 304 HA GLU 40 HA GLU 40 16.733 -9.154 -9.154 305 1HB GLU 40 HB2 GLU 40 15.973 -6.311 -6.311 306 2HB GLU 40 HB1 GLU 40 16.370 -6.912 -6.912 307 1HG GLU 40 HG2 GLU 40 14.771 -8.879 -8.879 308 2HG GLU 40 HG1 GLU 40 13.968 -7.300 -7.300 309 H ARG 41 H ARG 41 17.736 -9.521 -9.521 310 HA ARG 41 HA ARG 41 20.562 -8.765 -8.765 311 1HB ARG 41 HB2 ARG 41 18.983 -10.913 -10.913 312 2HB ARG 41 HB1 ARG 41 19.830 -10.114 -10.114 313 1HG ARG 41 HG2 ARG 41 21.936 -10.653 -10.653 314 2HG ARG 41 HG1 ARG 41 21.357 -10.730 -10.730 315 1HD ARG 41 HD2 ARG 41 21.969 -12.954 -12.954 316 2HD ARG 41 HD1 ARG 41 20.542 -12.915 -12.915 317 HE ARG 41 HE ARG 41 20.607 -12.878 -12.878 318 1HH1 ARG 41 HH1 ARG 41 18.744 -12.796 -12.796 319 2HH1 ARG 41 HH1 ARG 41 17.200 -13.196 -13.196 320 1HH2 ARG 41 HH2 ARG 41 18.569 -13.411 -13.411 321 2HH2 ARG 41 HH2 ARG 41 17.100 -13.547 -13.547 322 H PHE 42 H PHE 42 21.413 -7.051 -7.051 323 HA PHE 42 HA PHE 42 20.046 -6.029 -6.029 324 1HB PHE 42 HB2 PHE 42 19.692 -3.921 -3.921 325 2HB PHE 42 HB1 PHE 42 19.327 -4.856 -4.856 326 HD1 PHE 42 HD2 PHE 42 21.638 -5.437 -5.437 327 HD2 PHE 42 HD1 PHE 42 20.935 -1.960 -1.960 328 HE1 PHE 42 HE2 PHE 42 23.327 -4.162 -4.162 329 HE2 PHE 42 HE1 PHE 42 22.624 -0.693 -0.693 330 HZ PHE 42 HZ PHE 42 23.821 -1.790 -1.790 331 H LYS 43 H LYS 43 21.562 -3.997 -3.997 332 HA LYS 43 HA LYS 43 24.235 -5.212 -5.212 333 1HB LYS 43 HB2 LYS 43 24.024 -2.879 -2.879 334 2HB LYS 43 HB1 LYS 43 24.142 -4.581 -4.581 335 1HG LYS 43 HG2 LYS 43 21.576 -3.106 -3.106 336 2HG LYS 43 HG1 LYS 43 22.104 -3.476 -3.476 337 1HD LYS 43 HD2 LYS 43 22.197 -5.909 -5.909 338 2HD LYS 43 HD1 LYS 43 20.640 -5.130 -5.130 339 1HE LYS 43 HE2 LYS 43 20.312 -4.882 -4.882 340 2HE LYS 43 HE1 LYS 43 21.787 -5.840 -5.840 341 1HZ LYS 43 HZ1 LYS 43 19.359 -6.723 -6.723 342 2HZ LYS 43 HZ3 LYS 43 19.814 -7.184 -7.184 343 3HZ LYS 43 HZ2 LYS 43 20.729 -7.633 -7.633 344 H TYR 44 H TYR 44 25.894 -3.020 -3.020 345 HA TYR 44 HA TYR 44 25.440 -1.266 -1.266 346 1HB TYR 44 HB1 TYR 44 26.787 -3.099 -3.099 347 2HB TYR 44 HB2 TYR 44 27.892 -3.016 -3.016 348 HD1 TYR 44 HD2 TYR 44 26.905 0.280 0.280 349 HD2 TYR 44 HD1 TYR 44 29.631 -2.955 -2.955 350 HE1 TYR 44 HE2 TYR 44 28.370 1.855 1.855 351 HE2 TYR 44 HE1 TYR 44 31.095 -1.378 -1.378 352 HH TYR 44 HH TYR 44 31.384 1.535 1.535 353 H GLY 45 H GLY 45 27.952 -2.015 -2.015 354 1HA GLY 45 HA1 GLY 45 28.603 -0.607 -0.607 355 2HA GLY 45 HA2 GLY 45 27.605 0.702 0.702 356 H GLY 46 H GLY 46 28.480 0.941 0.941 357 1HA GLY 46 HA1 GLY 46 30.590 1.080 1.080 358 2HA GLY 46 HA2 GLY 46 31.426 1.435 1.435 359 H CYS 47 H CYS 47 30.660 3.462 3.462 360 HA CYS 47 HA CYS 47 31.131 5.766 5.766 361 1HB CYS 47 HB2 CYS 47 28.687 4.999 4.999 362 2HB CYS 47 HB1 CYS 47 28.811 6.663 6.663 363 HG CYS 47 HG CYS 47 30.729 7.503 7.503 364 H LEU 48 H LEU 48 31.035 6.705 6.705 365 HA LEU 48 HA LEU 48 30.342 6.858 6.858 366 1HB LEU 48 HB2 LEU 48 29.534 8.773 8.773 367 2HB LEU 48 HB1 LEU 48 27.939 7.994 7.994 368 HG LEU 48 HG LEU 48 29.410 8.747 8.747 369 1HD1 LEU 48 HD1 LEU 48 27.349 10.416 10.416 370 2HD1 LEU 48 HD1 LEU 48 27.955 10.763 10.763 371 3HD1 LEU 48 HD1 LEU 48 29.060 10.812 10.812 372 1HD2 LEU 48 HD2 LEU 48 27.651 7.065 7.065 373 2HD2 LEU 48 HD2 LEU 48 27.149 8.611 8.611 374 3HD2 LEU 48 HD2 LEU 48 26.471 8.104 8.104 375 H GLY 49 H GLY 49 26.983 6.537 6.537 376 1HA GLY 49 HA1 GLY 49 25.435 4.824 4.824 377 2HA GLY 49 HA2 GLY 49 26.722 3.773 3.773 378 H ASN 50 H ASN 50 25.840 3.066 3.066 379 HA ASN 50 HA ASN 50 25.521 5.130 5.130 380 1HB ASN 50 HB2 ASN 50 23.400 4.116 4.116 381 2HB ASN 50 HB1 ASN 50 23.214 4.770 4.770 382 1HD2 ASN 50 HD2 ASN 50 21.541 1.519 1.519 383 2HD2 ASN 50 HD2 ASN 50 21.327 3.144 3.144 384 H MET 51 H MET 51 24.720 3.603 3.603 385 HA MET 51 HA MET 51 27.009 1.760 1.760 386 1HB MET 51 HB2 MET 51 24.984 2.240 2.240 387 2HB MET 51 HB1 MET 51 26.743 2.044 2.044 388 1HG MET 51 HG2 MET 51 26.540 4.368 4.368 389 2HG MET 51 HG1 MET 51 25.110 4.492 4.492 390 1HE MET 51 HE1 MET 51 26.487 2.470 2.470 391 2HE MET 51 HE3 MET 51 26.983 3.718 3.718 392 3HE MET 51 HE2 MET 51 25.391 3.809 3.809 393 H ASN 52 H ASN 52 23.642 1.696 1.696 394 HA ASN 52 HA ASN 52 23.157 -0.982 -0.982 395 1HB ASN 52 HB2 ASN 52 21.447 1.004 1.004 396 2HB ASN 52 HB1 ASN 52 21.460 0.322 0.322 397 1HD2 ASN 52 HD2 ASN 52 18.798 -1.715 -1.715 398 2HD2 ASN 52 HD2 ASN 52 19.360 -0.366 -0.366 399 H ASN 53 H ASN 53 25.426 -1.261 -1.261 400 HA ASN 53 HA ASN 53 24.478 -2.712 -2.712 401 1HB ASN 53 HB2 ASN 53 25.507 -0.858 -0.858 402 2HB ASN 53 HB1 ASN 53 26.708 -0.679 -0.679 403 1HD2 ASN 53 HD2 ASN 53 29.156 -2.491 -2.491 404 2HD2 ASN 53 HD2 ASN 53 28.671 -1.270 -1.270 405 H PHE 54 H PHE 54 24.563 -4.632 -4.632 406 HA PHE 54 HA PHE 54 27.188 -5.397 -5.397 407 1HB PHE 54 HB2 PHE 54 24.535 -6.863 -6.863 408 2HB PHE 54 HB1 PHE 54 25.951 -7.336 -7.336 409 HD1 PHE 54 HD1 PHE 54 23.123 -4.938 -4.938 410 HD2 PHE 54 HD2 PHE 54 26.609 -6.194 -6.194 411 HE1 PHE 54 HE1 PHE 54 22.354 -3.616 -3.616 412 HE2 PHE 54 HE2 PHE 54 25.831 -4.869 -4.869 413 HZ PHE 54 HZ PHE 54 23.704 -3.579 -3.579 414 H GLU 55 H GLU 55 27.756 -7.834 -7.834 415 HA GLU 55 HA GLU 55 27.733 -8.137 -8.137 416 1HB GLU 55 HB2 GLU 55 29.696 -9.357 -9.357 417 2HB GLU 55 HB1 GLU 55 29.806 -9.383 -9.383 418 1HG GLU 55 HG2 GLU 55 29.776 -6.788 -6.788 419 2HG GLU 55 HG1 GLU 55 30.117 -7.032 -7.032 420 H THR 56 H THR 56 27.332 -9.818 -9.818 421 HA THR 56 HA THR 56 26.023 -12.055 -12.055 422 HB THR 56 HB THR 56 26.754 -13.199 -13.199 423 HG1 THR 56 HG1 THR 56 28.509 -12.153 -12.153 424 1HG2 THR 56 HG2 THR 56 28.182 -12.810 -12.810 425 2HG2 THR 56 HG2 THR 56 29.129 -13.451 -13.451 426 3HG2 THR 56 HG2 THR 56 27.703 -14.340 -14.340 427 H LEU 57 H LEU 57 24.063 -12.908 -12.908 428 HA LEU 57 HA LEU 57 22.347 -10.961 -10.961 429 1HB LEU 57 HB2 LEU 57 21.784 -12.997 -12.997 430 2HB LEU 57 HB1 LEU 57 21.975 -13.935 -13.935 431 HG LEU 57 HG LEU 57 20.246 -12.278 -12.278 432 1HD1 LEU 57 HD1 LEU 57 19.689 -11.943 -11.943 433 2HD1 LEU 57 HD1 LEU 57 18.598 -11.426 -11.426 434 3HD1 LEU 57 HD1 LEU 57 20.198 -10.680 -10.680 435 1HD2 LEU 57 HD2 LEU 57 19.789 -14.670 -14.670 436 2HD2 LEU 57 HD2 LEU 57 18.355 -13.715 -13.715 437 3HD2 LEU 57 HD2 LEU 57 19.410 -14.411 -14.411 438 H GLU 58 H GLU 58 23.929 -13.809 -13.809 439 HA GLU 58 HA GLU 58 22.931 -13.376 -13.376 440 1HB GLU 58 HB2 GLU 58 24.671 -15.168 -15.168 441 2HB GLU 58 HB1 GLU 58 25.765 -14.232 -14.232 442 1HG GLU 58 HG2 GLU 58 24.249 -14.644 -14.644 443 2HG GLU 58 HG1 GLU 58 23.174 -15.585 -15.585 444 H GLU 59 H GLU 59 25.476 -11.687 -11.687 445 HA GLU 59 HA GLU 59 26.599 -10.373 -10.373 446 1HB GLU 59 HB2 GLU 59 27.579 -10.702 -10.702 447 2HB GLU 59 HB1 GLU 59 26.699 -9.204 -9.204 448 1HG GLU 59 HG2 GLU 59 29.141 -9.648 -9.648 449 2HG GLU 59 HG1 GLU 59 28.622 -8.208 -8.208 450 H CYS 60 H CYS 60 24.200 -9.425 -9.425 451 HA CYS 60 HA CYS 60 23.743 -6.840 -6.840 452 1HB CYS 60 HB2 CYS 60 23.232 -7.223 -7.223 453 2HB CYS 60 HB1 CYS 60 22.155 -8.575 -8.575 454 HG CYS 60 HG CYS 60 20.529 -6.484 -6.484 455 H LYS 61 H LYS 61 22.572 -10.085 -10.085 456 HA LYS 61 HA LYS 61 20.287 -9.137 -9.137 457 1HB LYS 61 HB2 LYS 61 21.538 -11.895 -11.895 458 2HB LYS 61 HB1 LYS 61 19.951 -11.484 -11.484 459 1HG LYS 61 HG2 LYS 61 19.966 -10.378 -10.378 460 2HG LYS 61 HG1 LYS 61 20.732 -11.970 -11.970 461 1HD LYS 61 HD2 LYS 61 18.758 -13.041 -13.041 462 2HD LYS 61 HD1 LYS 61 18.371 -12.057 -12.057 463 1HE LYS 61 HE2 LYS 61 16.727 -11.185 -11.185 464 2HE LYS 61 HE1 LYS 61 18.039 -10.240 -10.240 465 1HZ LYS 61 HZ1 LYS 61 17.071 -12.871 -12.871 466 2HZ LYS 61 HZ3 LYS 61 16.738 -11.393 -11.393 467 3HZ LYS 61 HZ2 LYS 61 18.289 -11.986 -11.986 468 H ASN 62 H ASN 62 23.496 -10.628 -10.628 469 HA ASN 62 HA ASN 62 23.301 -10.545 -10.545 470 1HB ASN 62 HB2 ASN 62 25.196 -11.564 -11.564 471 2HB ASN 62 HB1 ASN 62 25.767 -9.927 -9.927 472 1HD2 ASN 62 HD2 ASN 62 27.876 -10.857 -10.857 473 2HD2 ASN 62 HD2 ASN 62 27.677 -11.095 -11.095 474 H ILE 63 H ILE 63 24.236 -7.981 -7.981 475 HA ILE 63 HA ILE 63 24.826 -6.104 -6.104 476 HB ILE 63 HB ILE 63 24.711 -6.052 -6.052 477 1HG1 ILE 63 HG1 ILE 63 27.028 -5.615 -5.615 478 2HG1 ILE 63 HG1 ILE 63 26.912 -4.995 -4.995 479 1HG2 ILE 63 HG2 ILE 63 24.878 -3.553 -3.553 480 2HG2 ILE 63 HG2 ILE 63 25.233 -3.617 -3.617 481 3HG2 ILE 63 HG2 ILE 63 23.596 -3.964 -3.964 482 1HD1 ILE 63 HD1 ILE 63 26.466 -7.899 -7.899 483 2HD1 ILE 63 HD1 ILE 63 27.921 -7.256 -7.256 484 3HD1 ILE 63 HD1 ILE 63 26.365 -7.292 -7.292 485 H CYS 64 H CYS 64 22.208 -6.402 -6.402 486 HA CYS 64 HA CYS 64 20.637 -4.386 -4.386 487 1HB CYS 64 HB2 CYS 64 19.861 -6.181 -6.181 488 2HB CYS 64 HB1 CYS 64 18.989 -4.743 -4.743 489 HG CYS 64 HG CYS 64 21.076 -4.810 -4.810 490 H GLU 65 H GLU 65 19.466 -7.583 -7.583 491 HA GLU 65 HA GLU 65 17.453 -7.983 -7.983 492 1HB GLU 65 HB2 GLU 65 19.398 -9.897 -9.897 493 2HB GLU 65 HB1 GLU 65 18.256 -10.520 -10.520 494 1HG GLU 65 HG2 GLU 65 16.590 -8.996 -8.996 495 2HG GLU 65 HG1 GLU 65 17.781 -9.508 -9.508 496 H ASP 66 H ASP 66 20.898 -8.019 -8.019 497 HA ASP 66 HA ASP 66 22.018 -8.628 -8.628 498 1HB ASP 66 HB2 ASP 66 21.031 -7.367 -7.367 499 2HB ASP 66 HB1 ASP 66 21.519 -6.410 -6.410 500 H GLY 67 H GLY 67 21.645 -10.901 -10.901 501 1HA GLY 67 HA1 GLY 67 19.942 -11.659 -11.659 502 2HA GLY 67 HA2 GLY 67 19.522 -12.388 -12.388 503 HA PRO 68 HA PRO 68 22.838 -14.948 -14.948 504 1HB PRO 68 HB2 PRO 68 21.457 -17.380 -17.380 505 2HB PRO 68 HB1 PRO 68 21.392 -16.429 -16.429 506 1HG PRO 68 HG2 PRO 68 19.369 -16.769 -16.769 507 2HG PRO 68 HG1 PRO 68 19.190 -16.186 -16.186 508 1HD PRO 68 HD2 PRO 68 19.196 -14.621 -14.621 509 2HD PRO 68 HD1 PRO 68 19.124 -14.048 -14.048 510 H ASN 69 H ASN 69 23.486 -17.397 -17.397 511 HA ASN 69 HA ASN 69 24.500 -18.361 -18.361 512 1HB ASN 69 HB2 ASN 69 22.207 -16.890 -16.890 513 2HB ASN 69 HB1 ASN 69 23.543 -17.297 -17.297 514 1HD2 ASN 69 HD2 ASN 69 21.019 -20.151 -20.151 515 2HD2 ASN 69 HD2 ASN 69 21.037 -18.467 -18.467 516 H GLY 70 H GLY 70 23.723 -15.035 -15.035 517 1HA GLY 70 HA1 GLY 70 26.450 -14.701 -14.701 518 2HA GLY 70 HA2 GLY 70 25.136 -13.509 -13.509 519 H PHE 71 H PHE 71 24.408 -13.123 -13.123 520 HA PHE 71 HA PHE 71 26.815 -11.814 -11.814 521 1HB PHE 71 HB2 PHE 71 24.219 -11.023 -11.023 522 2HB PHE 71 HB1 PHE 71 24.174 -11.664 -11.664 523 HD1 PHE 71 HD2 PHE 71 27.009 -9.861 -9.861 524 HD2 PHE 71 HD1 PHE 71 24.006 -9.769 -9.769 525 HE1 PHE 71 HE2 PHE 71 27.987 -7.756 -7.756 526 HE2 PHE 71 HE1 PHE 71 24.990 -7.666 -7.666 527 HZ PHE 71 HZ PHE 71 26.980 -6.656 -6.656 Start of MODEL 13 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.559 -0.986 -0.986 3 1HB ASP 1 HB2 ASP 1 0.683 -0.533 -0.533 4 2HB ASP 1 HB1 ASP 1 0.535 1.125 1.125 5 H TYR 2 H TYR 2 1.962 2.411 2.411 6 HA TYR 2 HA TYR 2 4.318 3.471 3.471 7 1HB TYR 2 HB1 TYR 2 3.148 4.417 4.417 8 2HB TYR 2 HB2 TYR 2 3.993 5.368 5.368 9 HD1 TYR 2 HD1 TYR 2 2.602 4.475 4.475 10 HD2 TYR 2 HD2 TYR 2 1.038 5.517 5.517 11 HE1 TYR 2 HE1 TYR 2 0.452 5.139 5.139 12 HE2 TYR 2 HE2 TYR 2 -1.113 6.180 6.180 13 HH TYR 2 HH TYR 2 -1.720 5.869 5.869 14 H LYS 3 H LYS 3 6.131 4.476 4.476 15 HA LYS 3 HA LYS 3 6.982 2.281 2.281 16 1HB LYS 3 HB2 LYS 3 9.373 2.872 2.872 17 2HB LYS 3 HB1 LYS 3 8.320 1.755 1.755 18 1HG LYS 3 HG2 LYS 3 7.955 3.266 3.266 19 2HG LYS 3 HG1 LYS 3 8.081 4.673 4.673 20 1HD LYS 3 HD2 LYS 3 9.981 4.476 4.476 21 2HD LYS 3 HD1 LYS 3 10.508 4.467 4.467 22 1HE LYS 3 HE2 LYS 3 11.617 2.727 2.727 23 2HE LYS 3 HE1 LYS 3 10.836 2.074 2.074 24 1HZ LYS 3 HZ1 LYS 3 9.661 2.151 2.151 25 2HZ LYS 3 HZ3 LYS 3 10.304 0.808 0.808 26 3HZ LYS 3 HZ2 LYS 3 8.928 1.523 1.523 27 H ASP 4 H ASP 4 5.640 4.903 4.903 28 HA ASP 4 HA ASP 4 7.518 6.847 6.847 29 1HB ASP 4 HB2 ASP 4 4.850 6.804 6.804 30 2HB ASP 4 HB1 ASP 4 4.931 6.420 6.420 31 H ASP 5 H ASP 5 5.769 4.165 4.165 32 HA ASP 5 HA ASP 5 6.112 3.222 3.222 33 1HB ASP 5 HB2 ASP 5 8.982 3.924 3.924 34 2HB ASP 5 HB1 ASP 5 8.185 2.350 2.350 35 H ASP 6 H ASP 6 7.748 3.664 3.664 36 HA ASP 6 HA ASP 6 8.037 5.036 5.036 37 1HB ASP 6 HB2 ASP 6 8.349 6.879 6.879 38 2HB ASP 6 HB1 ASP 6 7.972 7.639 7.639 39 H ASP 7 H ASP 7 6.085 7.235 7.235 40 HA ASP 7 HA ASP 7 4.160 8.397 8.397 41 1HB ASP 7 HB2 ASP 7 3.639 5.483 5.483 42 2HB ASP 7 HB1 ASP 7 2.423 6.573 6.573 43 H LYS 8 H LYS 8 4.815 9.741 9.741 44 HA LYS 8 HA LYS 8 4.093 8.663 8.663 45 1HB LYS 8 HB2 LYS 8 6.160 10.807 10.807 46 2HB LYS 8 HB1 LYS 8 5.799 10.017 10.017 47 1HG LYS 8 HG2 LYS 8 6.652 8.414 8.414 48 2HG LYS 8 HG1 LYS 8 7.857 9.199 9.199 49 1HD LYS 8 HD2 LYS 8 5.780 7.656 7.656 50 2HD LYS 8 HD1 LYS 8 6.811 6.673 6.673 51 1HE LYS 8 HE2 LYS 8 8.338 6.696 6.696 52 2HE LYS 8 HE1 LYS 8 8.597 8.410 8.410 53 1HZ LYS 8 HZ1 LYS 8 6.612 7.338 7.338 54 2HZ LYS 8 HZ3 LYS 8 8.063 8.065 8.065 55 3HZ LYS 8 HZ2 LYS 8 6.859 8.946 8.946 56 H LEU 9 H LEU 9 2.314 9.876 9.876 57 HA LEU 9 HA LEU 9 0.603 11.334 11.334 58 1HB LEU 9 HB2 LEU 9 1.449 11.391 11.391 59 2HB LEU 9 HB1 LEU 9 0.504 12.793 12.793 60 HG LEU 9 HG LEU 9 -0.706 10.831 10.831 61 1HD1 LEU 9 HD1 LEU 9 -1.635 11.861 11.861 62 2HD1 LEU 9 HD1 LEU 9 -2.678 11.062 11.062 63 3HD1 LEU 9 HD1 LEU 9 -1.913 12.619 12.619 64 1HD2 LEU 9 HD2 LEU 9 0.395 8.998 8.998 65 2HD2 LEU 9 HD2 LEU 9 -1.358 8.975 8.975 66 3HD2 LEU 9 HD2 LEU 9 -0.226 9.602 9.602 67 H LYS 10 H LYS 10 0.146 13.916 13.916 68 HA LYS 10 HA LYS 10 0.724 16.015 16.015 69 1HB LYS 10 HB2 LYS 10 2.872 15.127 15.127 70 2HB LYS 10 HB1 LYS 10 3.617 15.920 15.920 71 1HG LYS 10 HG2 LYS 10 1.573 17.666 17.666 72 2HG LYS 10 HG1 LYS 10 2.019 17.061 17.061 73 1HD LYS 10 HD2 LYS 10 3.660 18.631 18.631 74 2HD LYS 10 HD1 LYS 10 4.486 17.530 17.530 75 1HE LYS 10 HE2 LYS 10 2.417 19.369 19.369 76 2HE LYS 10 HE1 LYS 10 3.933 20.112 20.112 77 1HZ LYS 10 HZ1 LYS 10 3.698 17.853 17.853 78 2HZ LYS 10 HZ3 LYS 10 4.037 19.440 19.440 79 3HZ LYS 10 HZ2 LYS 10 5.120 18.553 18.553 80 HA PRO 11 HA PRO 11 1.237 15.469 15.469 81 1HB PRO 11 HB2 PRO 11 1.594 18.197 18.197 82 2HB PRO 11 HB1 PRO 11 0.013 17.424 17.424 83 1HG PRO 11 HG2 PRO 11 1.469 19.278 19.278 84 2HG PRO 11 HG1 PRO 11 -0.249 18.830 18.830 85 1HD PRO 11 HD2 PRO 11 1.768 17.943 17.943 86 2HD PRO 11 HD1 PRO 11 0.072 17.426 17.426 87 H ASP 12 H ASP 12 3.045 14.435 14.435 88 HA ASP 12 HA ASP 12 5.664 15.252 15.252 89 1HB ASP 12 HB2 ASP 12 5.068 13.751 13.751 90 2HB ASP 12 HB1 ASP 12 6.445 13.571 13.571 91 H PHE 13 H PHE 13 3.552 16.082 16.082 92 HA PHE 13 HA PHE 13 5.398 17.143 17.143 93 1HB PHE 13 HB2 PHE 13 3.582 18.284 18.284 94 2HB PHE 13 HB1 PHE 13 2.878 16.849 16.849 95 HD1 PHE 13 HD1 PHE 13 3.644 20.422 20.422 96 HD2 PHE 13 HD2 PHE 13 0.917 17.072 17.072 97 HE1 PHE 13 HE1 PHE 13 2.043 21.803 21.803 98 HE2 PHE 13 HE2 PHE 13 -0.679 18.461 18.461 99 HZ PHE 13 HZ PHE 13 -0.120 20.827 20.827 100 H CYS 14 H CYS 14 4.354 18.339 18.339 101 HA CYS 14 HA CYS 14 5.167 21.039 21.039 102 1HB CYS 14 HB2 CYS 14 4.683 19.312 19.312 103 2HB CYS 14 HB1 CYS 14 5.357 20.944 20.944 104 HG CYS 14 HG CYS 14 2.239 20.081 20.081 105 H PHE 15 H PHE 15 6.846 18.075 18.075 106 HA PHE 15 HA PHE 15 9.350 19.473 19.473 107 1HB PHE 15 HB2 PHE 15 8.942 16.517 16.517 108 2HB PHE 15 HB1 PHE 15 10.179 17.314 17.314 109 HD1 PHE 15 HD1 PHE 15 8.788 19.164 19.164 110 HD2 PHE 15 HD2 PHE 15 7.593 15.217 15.217 111 HE1 PHE 15 HE1 PHE 15 7.417 18.899 18.899 112 HE2 PHE 15 HE2 PHE 15 6.224 14.960 14.960 113 HZ PHE 15 HZ PHE 15 6.133 16.799 16.799 114 H LEU 16 H LEU 16 7.739 18.893 18.893 115 HA LEU 16 HA LEU 16 10.009 17.947 17.947 116 1HB LEU 16 HB2 LEU 16 7.299 17.978 17.978 117 2HB LEU 16 HB1 LEU 16 7.843 19.222 19.222 118 HG LEU 16 HG LEU 16 9.403 17.566 17.566 119 1HD1 LEU 16 HD1 LEU 16 7.936 15.581 15.581 120 2HD1 LEU 16 HD1 LEU 16 9.052 15.144 15.144 121 3HD1 LEU 16 HD1 LEU 16 9.650 16.032 16.032 122 1HD2 LEU 16 HD2 LEU 16 7.251 17.993 17.993 123 2HD2 LEU 16 HD2 LEU 16 7.680 16.268 16.268 124 3HD2 LEU 16 HD2 LEU 16 6.456 16.778 16.778 125 H GLU 17 H GLU 17 11.452 19.131 19.131 126 HA GLU 17 HA GLU 17 12.101 21.708 21.708 127 1HB GLU 17 HB2 GLU 17 12.826 19.956 19.956 128 2HB GLU 17 HB1 GLU 17 13.074 21.690 21.690 129 1HG GLU 17 HG2 GLU 17 14.078 21.362 21.362 130 2HG GLU 17 HG1 GLU 17 14.503 19.816 19.816 131 H GLU 18 H GLU 18 11.923 23.813 23.813 132 HA GLU 18 HA GLU 18 9.242 24.328 24.328 133 1HB GLU 18 HB2 GLU 18 9.814 26.571 26.571 134 2HB GLU 18 HB1 GLU 18 11.063 25.900 25.900 135 1HG GLU 18 HG2 GLU 18 12.513 25.682 25.682 136 2HG GLU 18 HG1 GLU 18 11.301 26.703 26.703 137 H ASP 19 H ASP 19 8.279 24.283 24.283 138 HA ASP 19 HA ASP 19 10.087 24.074 24.074 139 1HB ASP 19 HB2 ASP 19 8.661 22.011 22.011 140 2HB ASP 19 HB1 ASP 19 7.313 22.917 22.917 141 HA PRO 20 HA PRO 20 7.566 27.709 27.709 142 1HB PRO 20 HB2 PRO 20 9.415 28.777 28.777 143 2HB PRO 20 HB1 PRO 20 9.462 29.085 29.085 144 1HG PRO 20 HG2 PRO 20 11.191 27.383 27.383 145 2HG PRO 20 HG1 PRO 20 11.460 28.031 28.031 146 1HD PRO 20 HD2 PRO 20 10.746 25.351 25.351 147 2HD PRO 20 HD1 PRO 20 10.915 26.041 26.041 148 H GLY 21 H GLY 21 9.117 25.550 25.550 149 1HA GLY 21 HA1 GLY 21 7.380 24.464 24.464 150 2HA GLY 21 HA2 GLY 21 6.822 26.110 26.110 151 H ILE 22 H ILE 22 7.311 25.642 25.642 152 HA ILE 22 HA ILE 22 10.206 25.483 25.483 153 HB ILE 22 HB ILE 22 8.152 25.334 25.334 154 1HG1 ILE 22 HG1 ILE 22 8.539 23.315 23.315 155 2HG1 ILE 22 HG1 ILE 22 7.044 23.857 23.857 156 1HG2 ILE 22 HG2 ILE 22 10.788 23.888 23.888 157 2HG2 ILE 22 HG2 ILE 22 9.734 23.652 23.652 158 3HG2 ILE 22 HG2 ILE 22 10.499 25.227 25.227 159 1HD1 ILE 22 HD1 ILE 22 9.201 22.100 22.100 160 2HD1 ILE 22 HD1 ILE 22 7.621 21.542 21.542 161 3HD1 ILE 22 HD1 ILE 22 7.699 22.623 22.623 162 H CYS 23 H CYS 23 7.235 27.398 27.398 163 HA CYS 23 HA CYS 23 8.464 29.305 29.305 164 1HB CYS 23 HB2 CYS 23 6.569 30.808 30.808 165 2HB CYS 23 HB1 CYS 23 6.183 29.364 29.364 166 HG CYS 23 HG CYS 23 5.603 29.973 29.973 167 H ARG 24 H ARG 24 7.231 31.410 31.410 168 HA ARG 24 HA ARG 24 9.278 31.546 31.546 169 1HB ARG 24 HB2 ARG 24 9.885 32.779 32.779 170 2HB ARG 24 HB1 ARG 24 9.845 33.982 33.982 171 1HG ARG 24 HG2 ARG 24 11.986 33.319 33.319 172 2HG ARG 24 HG1 ARG 24 11.242 31.907 31.907 173 1HD ARG 24 HD2 ARG 24 11.281 31.345 31.345 174 2HD ARG 24 HD1 ARG 24 12.867 32.049 32.049 175 HE ARG 24 HE ARG 24 12.319 30.210 30.210 176 1HH1 ARG 24 HH1 ARG 24 12.706 30.160 30.160 177 2HH1 ARG 24 HH1 ARG 24 13.322 28.505 28.505 178 1HH2 ARG 24 HH2 ARG 24 13.136 28.013 28.013 179 2HH2 ARG 24 HH2 ARG 24 13.568 27.279 27.279 180 H GLY 25 H GLY 25 6.357 31.677 31.677 181 1HA GLY 25 HA1 GLY 25 5.131 34.130 34.130 182 2HA GLY 25 HA2 GLY 25 4.689 32.834 32.834 183 H TYR 26 H TYR 26 6.884 32.662 32.662 184 HA TYR 26 HA TYR 26 7.818 33.714 33.714 185 1HB TYR 26 HB1 TYR 26 7.709 36.111 36.111 186 2HB TYR 26 HB2 TYR 26 8.478 36.157 36.157 187 HD1 TYR 26 HD2 TYR 26 9.005 32.888 32.888 188 HD2 TYR 26 HD1 TYR 26 10.353 36.942 36.942 189 HE1 TYR 26 HE2 TYR 26 11.123 32.027 32.027 190 HE2 TYR 26 HE1 TYR 26 12.469 36.080 36.080 191 HH TYR 26 HH TYR 26 13.499 34.097 34.097 192 H ILE 27 H ILE 27 6.746 34.027 34.027 193 HA ILE 27 HA ILE 27 4.898 36.200 36.200 194 HB ILE 27 HB ILE 27 3.345 33.916 33.916 195 1HG1 ILE 27 HG1 ILE 27 3.923 34.122 34.122 196 2HG1 ILE 27 HG1 ILE 27 4.705 32.935 32.935 197 1HG2 ILE 27 HG2 ILE 27 2.904 36.209 36.209 198 2HG2 ILE 27 HG2 ILE 27 1.645 35.068 35.068 199 3HG2 ILE 27 HG2 ILE 27 2.426 36.158 36.158 200 1HD1 ILE 27 HD1 ILE 27 1.691 33.226 33.226 201 2HD1 ILE 27 HD1 ILE 27 2.738 31.962 31.962 202 3HD1 ILE 27 HD1 ILE 27 2.464 32.024 32.024 203 H THR 28 H THR 28 4.879 36.833 36.833 204 HA THR 28 HA THR 28 6.651 35.663 35.663 205 HB THR 28 HB THR 28 4.240 37.444 37.444 206 HG1 THR 28 HG1 THR 28 5.926 39.014 39.014 207 1HG2 THR 28 HG2 THR 28 6.920 36.725 36.725 208 2HG2 THR 28 HG2 THR 28 6.411 38.423 38.423 209 3HG2 THR 28 HG2 THR 28 5.405 37.170 37.170 210 H ARG 29 H ARG 29 6.132 33.336 33.336 211 HA ARG 29 HA ARG 29 3.705 32.591 32.591 212 1HB ARG 29 HB2 ARG 29 5.358 30.929 30.929 213 2HB ARG 29 HB1 ARG 29 3.939 30.352 30.352 214 1HG ARG 29 HG2 ARG 29 4.023 32.573 32.573 215 2HG ARG 29 HG1 ARG 29 3.286 30.970 30.970 216 1HD ARG 29 HD2 ARG 29 1.662 31.519 31.519 217 2HD ARG 29 HD1 ARG 29 2.417 33.113 33.113 218 HE ARG 29 HE ARG 29 1.357 33.852 33.852 219 1HH1 ARG 29 HH1 ARG 29 1.129 30.332 30.332 220 2HH1 ARG 29 HH1 ARG 29 -0.021 30.145 30.145 221 1HH2 ARG 29 HH2 ARG 29 -0.169 33.630 33.630 222 2HH2 ARG 29 HH2 ARG 29 -0.763 32.029 32.029 223 H TYR 30 H TYR 30 3.933 30.779 30.779 224 HA TYR 30 HA TYR 30 6.746 30.705 30.705 225 1HB TYR 30 HB1 TYR 30 4.146 30.366 30.366 226 2HB TYR 30 HB2 TYR 30 5.765 30.339 30.339 227 HD1 TYR 30 HD1 TYR 30 3.494 32.636 32.636 228 HD2 TYR 30 HD2 TYR 30 6.730 32.280 32.280 229 HE1 TYR 30 HE1 TYR 30 3.443 35.088 35.088 230 HE2 TYR 30 HE2 TYR 30 6.678 34.733 34.733 231 HH TYR 30 HH TYR 30 4.968 36.677 36.677 232 H PHE 31 H PHE 31 7.513 28.678 28.678 233 HA PHE 31 HA PHE 31 5.931 26.234 26.234 234 1HB PHE 31 HB2 PHE 31 7.448 25.332 25.332 235 2HB PHE 31 HB1 PHE 31 7.315 26.998 26.998 236 HD1 PHE 31 HD2 PHE 31 9.112 28.705 28.705 237 HD2 PHE 31 HD1 PHE 31 9.609 24.417 24.417 238 HE1 PHE 31 HE2 PHE 31 11.575 28.995 28.995 239 HE2 PHE 31 HE1 PHE 31 12.069 24.716 24.716 240 HZ PHE 31 HZ PHE 31 13.057 27.003 27.003 241 H TYR 32 H TYR 32 6.479 24.492 24.492 242 HA TYR 32 HA TYR 32 8.057 25.254 25.254 243 1HB TYR 32 HB1 TYR 32 5.943 23.747 23.747 244 2HB TYR 32 HB2 TYR 32 6.997 22.481 22.481 245 HD1 TYR 32 HD2 TYR 32 8.846 21.541 21.541 246 HD2 TYR 32 HD1 TYR 32 5.988 24.373 24.373 247 HE1 TYR 32 HE2 TYR 32 9.497 20.908 20.908 248 HE2 TYR 32 HE1 TYR 32 6.640 23.739 23.739 249 HH TYR 32 HH TYR 32 7.763 21.524 21.524 250 H ASN 33 H ASN 33 10.235 25.394 25.394 251 HA ASN 33 HA ASN 33 11.625 23.436 23.436 252 1HB ASN 33 HB2 ASN 33 12.062 26.009 26.009 253 2HB ASN 33 HB1 ASN 33 12.875 25.744 25.744 254 1HD2 ASN 33 HD2 ASN 33 15.486 25.641 25.641 255 2HD2 ASN 33 HD2 ASN 33 14.353 26.800 26.800 256 H ASN 34 H ASN 34 12.828 21.779 21.779 257 HA ASN 34 HA ASN 34 12.679 21.174 21.174 258 1HB ASN 34 HB2 ASN 34 13.956 19.228 19.228 259 2HB ASN 34 HB1 ASN 34 12.959 19.531 19.531 260 1HD2 ASN 34 HD2 ASN 34 17.080 20.016 20.016 261 2HD2 ASN 34 HD2 ASN 34 16.138 19.878 19.878 262 H GLN 35 H GLN 35 15.053 22.776 22.776 263 HA GLN 35 HA GLN 35 17.334 22.603 22.603 264 1HB GLN 35 HB2 GLN 35 16.646 23.958 23.958 265 2HB GLN 35 HB1 GLN 35 16.848 25.297 25.297 266 1HG GLN 35 HG2 GLN 35 18.914 23.088 23.088 267 2HG GLN 35 HG1 GLN 35 18.925 24.466 24.466 268 1HE2 GLN 35 HE2 GLN 35 19.775 26.921 26.921 269 2HE2 GLN 35 HE2 GLN 35 18.844 26.641 26.641 270 H THR 36 H THR 36 14.364 24.439 24.439 271 HA THR 36 HA THR 36 15.535 25.401 25.401 272 HB THR 36 HB THR 36 14.060 27.518 27.518 273 HG1 THR 36 HG1 THR 36 14.161 26.412 26.412 274 1HG2 THR 36 HG2 THR 36 16.483 26.703 26.703 275 2HG2 THR 36 HG2 THR 36 15.593 28.149 28.149 276 3HG2 THR 36 HG2 THR 36 16.309 28.093 28.093 277 H LYS 37 H LYS 37 13.751 23.061 23.061 278 HA LYS 37 HA LYS 37 11.664 22.184 22.184 279 1HB LYS 37 HB2 LYS 37 13.093 22.620 22.620 280 2HB LYS 37 HB1 LYS 37 11.497 21.845 21.845 281 1HG LYS 37 HG2 LYS 37 12.432 19.902 19.902 282 2HG LYS 37 HG1 LYS 37 13.120 20.698 20.698 283 1HD LYS 37 HD2 LYS 37 14.344 20.397 20.397 284 2HD LYS 37 HD1 LYS 37 14.962 19.762 19.762 285 1HE LYS 37 HE2 LYS 37 14.909 22.394 22.394 286 2HE LYS 37 HE1 LYS 37 15.096 22.535 22.535 287 1HZ LYS 37 HZ1 LYS 37 16.833 20.967 20.967 288 2HZ LYS 37 HZ3 LYS 37 17.201 22.448 22.448 289 3HZ LYS 37 HZ2 LYS 37 17.025 21.107 21.107 290 H GLN 38 H GLN 38 11.320 24.892 24.892 291 HA GLN 38 HA GLN 38 8.866 25.434 25.434 292 1HB GLN 38 HB2 GLN 38 9.362 27.643 27.643 293 2HB GLN 38 HB1 GLN 38 10.795 26.706 26.706 294 1HG GLN 38 HG2 GLN 38 11.740 27.391 27.391 295 2HG GLN 38 HG1 GLN 38 10.434 28.593 28.593 296 1HE2 GLN 38 HE2 GLN 38 13.325 28.813 28.813 297 2HE2 GLN 38 HE2 GLN 38 12.713 27.265 27.265 298 H CYS 39 H CYS 39 8.352 28.011 28.011 299 HA CYS 39 HA CYS 39 8.074 27.201 27.201 300 1HB CYS 39 HB2 CYS 39 6.535 29.074 29.074 301 2HB CYS 39 HB1 CYS 39 6.390 29.137 29.137 302 HG CYS 39 HG CYS 39 5.209 26.788 26.788 303 H GLU 40 H GLU 40 9.372 28.125 28.125 304 HA GLU 40 HA GLU 40 10.592 30.732 30.732 305 1HB GLU 40 HB2 GLU 40 11.712 28.777 28.777 306 2HB GLU 40 HB1 GLU 40 12.525 30.161 30.161 307 1HG GLU 40 HG2 GLU 40 11.459 27.876 27.876 308 2HG GLU 40 HG1 GLU 40 13.031 27.735 27.735 309 H ARG 41 H ARG 41 10.551 32.440 32.440 310 HA ARG 41 HA ARG 41 8.383 32.325 32.325 311 1HB ARG 41 HB2 ARG 41 10.106 34.356 34.356 312 2HB ARG 41 HB1 ARG 41 9.980 34.593 34.593 313 1HG ARG 41 HG2 ARG 41 7.765 35.160 35.160 314 2HG ARG 41 HG1 ARG 41 7.424 33.956 33.956 315 1HD ARG 41 HD2 ARG 41 7.155 36.339 36.339 316 2HD ARG 41 HD1 ARG 41 8.360 35.430 35.430 317 HE ARG 41 HE ARG 41 8.870 37.560 37.560 318 1HH1 ARG 41 HH1 ARG 41 10.075 35.281 35.281 319 2HH1 ARG 41 HH1 ARG 41 11.673 36.023 36.023 320 1HH2 ARG 41 HH2 ARG 41 10.984 38.561 38.561 321 2HH2 ARG 41 HH2 ARG 41 12.192 37.896 37.896 322 H PHE 42 H PHE 42 8.477 32.455 32.455 323 HA PHE 42 HA PHE 42 11.012 32.413 32.413 324 1HB PHE 42 HB2 PHE 42 11.287 30.212 30.212 325 2HB PHE 42 HB1 PHE 42 10.668 30.064 30.064 326 HD1 PHE 42 HD2 PHE 42 8.001 29.872 29.872 327 HD2 PHE 42 HD1 PHE 42 10.275 28.888 28.888 328 HE1 PHE 42 HE2 PHE 42 6.148 28.416 28.416 329 HE2 PHE 42 HE1 PHE 42 8.418 27.435 27.435 330 HZ PHE 42 HZ PHE 42 6.354 27.196 27.196 331 H LYS 43 H LYS 43 10.629 32.214 32.214 332 HA LYS 43 HA LYS 43 8.127 33.471 33.471 333 1HB LYS 43 HB2 LYS 43 10.732 33.073 33.073 334 2HB LYS 43 HB1 LYS 43 9.431 32.770 32.770 335 1HG LYS 43 HG2 LYS 43 9.702 35.074 35.074 336 2HG LYS 43 HG1 LYS 43 8.431 35.007 35.007 337 1HD LYS 43 HD2 LYS 43 10.065 36.585 36.585 338 2HD LYS 43 HD1 LYS 43 10.298 35.110 35.110 339 1HE LYS 43 HE2 LYS 43 12.225 34.477 34.477 340 2HE LYS 43 HE1 LYS 43 11.890 35.742 35.742 341 1HZ LYS 43 HZ1 LYS 43 12.625 36.187 36.187 342 2HZ LYS 43 HZ3 LYS 43 13.633 36.369 36.369 343 3HZ LYS 43 HZ2 LYS 43 12.329 37.378 37.378 344 H TYR 44 H TYR 44 7.173 32.471 32.471 345 HA TYR 44 HA TYR 44 7.019 29.557 29.557 346 1HB TYR 44 HB1 TYR 44 5.435 30.116 30.116 347 2HB TYR 44 HB2 TYR 44 4.652 31.320 31.320 348 HD1 TYR 44 HD2 TYR 44 5.631 28.117 28.117 349 HD2 TYR 44 HD1 TYR 44 2.430 30.280 30.280 350 HE1 TYR 44 HE2 TYR 44 4.000 26.433 26.433 351 HE2 TYR 44 HE1 TYR 44 0.801 28.596 28.596 352 HH TYR 44 HH TYR 44 1.807 25.691 25.691 353 H GLY 45 H GLY 45 7.576 29.308 29.308 354 1HA GLY 45 HA1 GLY 45 6.976 30.981 30.981 355 2HA GLY 45 HA2 GLY 45 7.192 29.225 29.225 356 H GLY 46 H GLY 46 4.978 28.314 28.314 357 1HA GLY 46 HA1 GLY 46 2.577 28.502 28.502 358 2HA GLY 46 HA2 GLY 46 2.605 29.525 29.525 359 H CYS 47 H CYS 47 3.630 28.394 28.394 360 HA CYS 47 HA CYS 47 2.320 26.661 26.661 361 1HB CYS 47 HB2 CYS 47 5.232 26.195 26.195 362 2HB CYS 47 HB1 CYS 47 4.341 25.228 25.228 363 HG CYS 47 HG CYS 47 4.431 26.988 26.988 364 H LEU 48 H LEU 48 4.684 24.511 24.511 365 HA LEU 48 HA LEU 48 2.408 22.896 22.896 366 1HB LEU 48 HB2 LEU 48 3.947 22.002 22.002 367 2HB LEU 48 HB1 LEU 48 5.227 21.997 21.997 368 HG LEU 48 HG LEU 48 2.923 20.208 20.208 369 1HD1 LEU 48 HD1 LEU 48 5.680 19.799 19.799 370 2HD1 LEU 48 HD1 LEU 48 4.488 18.505 18.505 371 3HD1 LEU 48 HD1 LEU 48 5.184 19.412 19.412 372 1HD2 LEU 48 HD2 LEU 48 2.247 21.208 21.208 373 2HD2 LEU 48 HD2 LEU 48 2.792 19.529 19.529 374 3HD2 LEU 48 HD2 LEU 48 3.850 20.888 20.888 375 H GLY 49 H GLY 49 5.906 23.165 23.165 376 1HA GLY 49 HA1 GLY 49 6.886 23.539 23.539 377 2HA GLY 49 HA2 GLY 49 5.382 24.324 24.324 378 H ASN 50 H ASN 50 5.145 23.367 23.367 379 HA ASN 50 HA ASN 50 4.545 20.452 20.452 380 1HB ASN 50 HB2 ASN 50 5.734 20.123 20.123 381 2HB ASN 50 HB1 ASN 50 6.869 20.805 20.805 382 1HD2 ASN 50 HD2 ASN 50 7.706 22.835 22.835 383 2HD2 ASN 50 HD2 ASN 50 8.059 21.324 21.324 384 H MET 51 H MET 51 3.930 20.154 20.154 385 HA MET 51 HA MET 51 1.454 21.760 21.760 386 1HB MET 51 HB2 MET 51 2.338 19.632 19.632 387 2HB MET 51 HB1 MET 51 0.690 20.136 20.136 388 1HG MET 51 HG2 MET 51 0.754 18.230 18.230 389 2HG MET 51 HG1 MET 51 1.586 19.293 19.293 390 1HE MET 51 HE1 MET 51 3.857 18.820 18.820 391 2HE MET 51 HE3 MET 51 4.560 17.196 17.196 392 3HE MET 51 HE2 MET 51 2.879 17.372 17.372 393 H ASN 52 H ASN 52 4.664 21.559 21.559 394 HA ASN 52 HA ASN 52 3.979 22.944 22.944 395 1HB ASN 52 HB2 ASN 52 6.066 21.407 21.407 396 2HB ASN 52 HB1 ASN 52 6.743 22.923 22.923 397 1HD2 ASN 52 HD2 ASN 52 8.061 23.350 23.350 398 2HD2 ASN 52 HD2 ASN 52 8.361 22.943 22.943 399 H ASN 53 H ASN 53 2.704 24.500 24.500 400 HA ASN 53 HA ASN 53 4.474 26.883 26.883 401 1HB ASN 53 HB2 ASN 53 4.328 26.313 26.313 402 2HB ASN 53 HB1 ASN 53 2.714 25.597 25.597 403 1HD2 ASN 53 HD2 ASN 53 0.954 28.488 28.488 404 2HD2 ASN 53 HD2 ASN 53 0.987 26.754 26.754 405 H PHE 54 H PHE 54 3.557 27.735 27.735 406 HA PHE 54 HA PHE 54 0.591 28.133 28.133 407 1HB PHE 54 HB2 PHE 54 2.706 28.731 28.731 408 2HB PHE 54 HB1 PHE 54 0.965 28.793 28.793 409 HD1 PHE 54 HD2 PHE 54 -0.419 26.716 26.716 410 HD2 PHE 54 HD1 PHE 54 3.899 26.572 26.572 411 HE1 PHE 54 HE2 PHE 54 -0.460 24.335 24.335 412 HE2 PHE 54 HE1 PHE 54 3.848 24.193 24.193 413 HZ PHE 54 HZ PHE 54 1.671 23.071 23.071 414 H GLU 55 H GLU 55 -0.189 30.324 30.324 415 HA GLU 55 HA GLU 55 1.344 32.353 32.353 416 1HB GLU 55 HB2 GLU 55 -1.518 32.421 32.421 417 2HB GLU 55 HB1 GLU 55 -0.742 33.679 33.679 418 1HG GLU 55 HG2 GLU 55 -0.297 31.794 31.794 419 2HG GLU 55 HG1 GLU 55 -1.447 30.826 30.826 420 H THR 56 H THR 56 -0.053 31.618 31.618 421 HA THR 56 HA THR 56 1.400 34.004 34.004 422 HB THR 56 HB THR 56 -0.481 33.467 33.467 423 HG1 THR 56 HG1 THR 56 -2.302 32.769 32.769 424 1HG2 THR 56 HG2 THR 56 -0.556 35.066 35.066 425 2HG2 THR 56 HG2 THR 56 -2.086 34.842 34.842 426 3HG2 THR 56 HG2 THR 56 -0.729 35.657 35.657 427 H LEU 57 H LEU 57 2.593 33.736 33.736 428 HA LEU 57 HA LEU 57 3.941 31.262 31.262 429 1HB LEU 57 HB2 LEU 57 4.863 33.427 33.427 430 2HB LEU 57 HB1 LEU 57 3.776 33.488 33.488 431 HG LEU 57 HG LEU 57 4.952 31.192 31.192 432 1HD1 LEU 57 HD1 LEU 57 7.082 32.643 32.643 433 2HD1 LEU 57 HD1 LEU 57 7.377 31.235 31.235 434 3HD1 LEU 57 HD1 LEU 57 6.341 31.074 31.074 435 1HD2 LEU 57 HD2 LEU 57 4.945 33.128 33.128 436 2HD2 LEU 57 HD2 LEU 57 6.577 32.406 32.406 437 3HD2 LEU 57 HD2 LEU 57 6.235 33.903 33.903 438 H GLU 58 H GLU 58 1.419 32.756 32.756 439 HA GLU 58 HA GLU 58 1.245 30.708 30.708 440 1HB GLU 58 HB2 GLU 58 -0.072 33.048 33.048 441 2HB GLU 58 HB1 GLU 58 -1.340 31.911 31.911 442 1HG GLU 58 HG2 GLU 58 -1.100 30.708 30.708 443 2HG GLU 58 HG1 GLU 58 0.203 31.813 31.813 444 H GLU 59 H GLU 59 -0.519 31.056 31.056 445 HA GLU 59 HA GLU 59 -2.060 28.740 28.740 446 1HB GLU 59 HB2 GLU 59 -1.809 30.658 30.658 447 2HB GLU 59 HB1 GLU 59 -0.869 29.380 29.380 448 1HG GLU 59 HG2 GLU 59 -2.721 28.053 28.053 449 2HG GLU 59 HG1 GLU 59 -3.480 28.559 28.559 450 H CYS 60 H CYS 60 1.316 29.164 29.164 451 HA CYS 60 HA CYS 60 1.651 26.439 26.439 452 1HB CYS 60 HB2 CYS 60 3.138 27.961 27.961 453 2HB CYS 60 HB1 CYS 60 3.525 28.694 28.694 454 HG CYS 60 HG CYS 60 4.965 26.058 26.058 455 H LYS 61 H LYS 61 1.757 28.162 28.162 456 HA LYS 61 HA LYS 61 3.192 26.047 26.047 457 1HB LYS 61 HB2 LYS 61 1.623 28.337 28.337 458 2HB LYS 61 HB1 LYS 61 2.867 27.348 27.348 459 1HG LYS 61 HG2 LYS 61 4.112 28.292 28.292 460 2HG LYS 61 HG1 LYS 61 3.143 29.673 29.673 461 1HD LYS 61 HD2 LYS 61 4.631 30.087 30.087 462 2HD LYS 61 HD1 LYS 61 4.435 28.439 28.439 463 1HE LYS 61 HE2 LYS 61 6.591 28.100 28.100 464 2HE LYS 61 HE1 LYS 61 5.998 28.102 28.102 465 1HZ LYS 61 HZ1 LYS 61 6.915 30.469 30.469 466 2HZ LYS 61 HZ3 LYS 61 7.774 29.666 29.666 467 3HZ LYS 61 HZ2 LYS 61 6.377 30.478 30.478 468 H ASN 62 H ASN 62 -0.222 27.265 27.265 469 HA ASN 62 HA ASN 62 -1.360 25.383 25.383 470 1HB ASN 62 HB2 ASN 62 -2.354 27.388 27.388 471 2HB ASN 62 HB1 ASN 62 -2.846 25.994 25.994 472 1HD2 ASN 62 HD2 ASN 62 -5.173 24.671 24.671 473 2HD2 ASN 62 HD2 ASN 62 -4.074 24.300 24.300 474 H ILE 63 H ILE 63 -0.861 25.144 25.144 475 HA ILE 63 HA ILE 63 -1.905 22.501 22.501 476 HB ILE 63 HB ILE 63 -0.130 24.097 24.097 477 1HG1 ILE 63 HG1 ILE 63 -2.108 25.162 25.162 478 2HG1 ILE 63 HG1 ILE 63 -2.504 23.775 23.775 479 1HG2 ILE 63 HG2 ILE 63 -1.421 21.397 21.397 480 2HG2 ILE 63 HG2 ILE 63 -0.649 22.444 22.444 481 3HG2 ILE 63 HG2 ILE 63 0.316 21.750 21.750 482 1HD1 ILE 63 HD1 ILE 63 -3.153 24.027 24.027 483 2HD1 ILE 63 HD1 ILE 63 -4.309 24.226 24.226 484 3HD1 ILE 63 HD1 ILE 63 -3.569 22.643 22.643 485 H CYS 64 H CYS 64 1.486 23.782 23.782 486 HA CYS 64 HA CYS 64 2.502 21.064 21.064 487 1HB CYS 64 HB2 CYS 64 4.071 23.626 23.626 488 2HB CYS 64 HB1 CYS 64 4.667 21.994 21.994 489 HG CYS 64 HG CYS 64 2.427 22.766 22.766 490 H GLU 65 H GLU 65 3.644 23.942 23.942 491 HA GLU 65 HA GLU 65 4.368 22.809 22.809 492 1HB GLU 65 HB2 GLU 65 3.001 25.411 25.411 493 2HB GLU 65 HB1 GLU 65 3.157 24.920 24.920 494 1HG GLU 65 HG2 GLU 65 5.677 24.375 24.375 495 2HG GLU 65 HG1 GLU 65 5.225 25.789 25.789 496 H ASP 66 H ASP 66 0.992 23.236 23.236 497 HA ASP 66 HA ASP 66 -0.763 21.799 21.799 498 1HB ASP 66 HB2 ASP 66 -0.611 20.293 20.293 499 2HB ASP 66 HB1 ASP 66 1.110 20.508 20.508 500 H GLY 67 H GLY 67 0.802 24.379 24.379 501 1HA GLY 67 HA1 GLY 67 -0.234 26.293 26.293 502 2HA GLY 67 HA2 GLY 67 -1.818 25.506 25.506 503 HA PRO 68 HA PRO 68 0.260 24.247 24.247 504 1HB PRO 68 HB2 PRO 68 2.154 26.129 26.129 505 2HB PRO 68 HB1 PRO 68 2.572 24.631 24.631 506 1HG PRO 68 HG2 PRO 68 2.614 27.417 27.417 507 2HG PRO 68 HG1 PRO 68 3.406 25.976 25.976 508 1HD PRO 68 HD2 PRO 68 1.067 27.293 27.293 509 2HD PRO 68 HD1 PRO 68 1.810 25.795 25.795 510 H ASN 69 H ASN 69 -1.227 26.985 26.985 511 HA ASN 69 HA ASN 69 -1.631 28.351 28.351 512 1HB ASN 69 HB2 ASN 69 -1.914 29.659 29.659 513 2HB ASN 69 HB1 ASN 69 -3.002 28.450 28.450 514 1HD2 ASN 69 HD2 ASN 69 -5.777 30.271 30.271 515 2HD2 ASN 69 HD2 ASN 69 -4.884 29.423 29.423 516 H GLY 70 H GLY 70 -4.075 26.809 26.809 517 1HA GLY 70 HA1 GLY 70 -5.527 25.900 25.900 518 2HA GLY 70 HA2 GLY 70 -6.262 26.216 26.216 519 H PHE 71 H PHE 71 -4.848 24.881 24.881 520 HA PHE 71 HA PHE 71 -5.593 22.247 22.247 521 1HB PHE 71 HB2 PHE 71 -3.940 23.850 23.850 522 2HB PHE 71 HB1 PHE 71 -2.822 22.638 22.638 523 HD1 PHE 71 HD1 PHE 71 -3.622 20.092 20.092 524 HD2 PHE 71 HD2 PHE 71 -5.162 23.370 23.370 525 HE1 PHE 71 HE1 PHE 71 -4.376 18.489 18.489 526 HE2 PHE 71 HE2 PHE 71 -5.913 21.759 21.759 527 HZ PHE 71 HZ PHE 71 -5.523 19.317 19.317 Start of MODEL 14 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.429 0.009 0.009 3 1HB ASP 1 HB2 ASP 1 4.038 0.857 0.857 4 2HB ASP 1 HB1 ASP 1 3.109 1.510 1.510 5 H TYR 2 H TYR 2 1.554 -2.344 -2.344 6 HA TYR 2 HA TYR 2 3.919 -3.565 -3.565 7 1HB TYR 2 HB1 TYR 2 4.436 -4.758 -4.758 8 2HB TYR 2 HB2 TYR 2 4.844 -3.051 -3.051 9 HD1 TYR 2 HD2 TYR 2 3.233 -1.332 -1.332 10 HD2 TYR 2 HD1 TYR 2 2.959 -5.584 -5.584 11 HE1 TYR 2 HE2 TYR 2 1.904 -0.893 -0.893 12 HE2 TYR 2 HE1 TYR 2 1.631 -5.143 -5.143 13 HH TYR 2 HH TYR 2 0.668 -1.826 -1.826 14 H LYS 3 H LYS 3 1.090 -3.654 -3.654 15 HA LYS 3 HA LYS 3 0.790 -6.432 -6.432 16 1HB LYS 3 HB2 LYS 3 0.344 -6.050 -6.050 17 2HB LYS 3 HB1 LYS 3 -1.244 -5.483 -5.483 18 1HG LYS 3 HG2 LYS 3 -1.375 -7.866 -7.866 19 2HG LYS 3 HG1 LYS 3 -1.521 -7.643 -7.643 20 1HD LYS 3 HD2 LYS 3 1.257 -7.894 -7.894 21 2HD LYS 3 HD1 LYS 3 0.456 -9.140 -9.140 22 1HE LYS 3 HE2 LYS 3 0.040 -8.697 -8.697 23 2HE LYS 3 HE1 LYS 3 1.075 -9.952 -9.952 24 1HZ LYS 3 HZ1 LYS 3 -1.836 -9.664 -9.664 25 2HZ LYS 3 HZ3 LYS 3 -1.092 -10.785 -10.785 26 3HZ LYS 3 HZ2 LYS 3 -0.877 -10.852 -10.852 27 H ASP 4 H ASP 4 -1.053 -6.961 -6.961 28 HA ASP 4 HA ASP 4 -3.247 -5.379 -5.379 29 1HB ASP 4 HB2 ASP 4 -2.510 -4.293 -4.293 30 2HB ASP 4 HB1 ASP 4 -1.902 -3.531 -3.531 31 H ASP 5 H ASP 5 -0.494 -7.186 -7.186 32 HA ASP 5 HA ASP 5 -1.816 -9.468 -9.468 33 1HB ASP 5 HB2 ASP 5 -2.185 -9.056 -9.056 34 2HB ASP 5 HB1 ASP 5 -3.415 -8.433 -8.433 35 H ASP 6 H ASP 6 -0.103 -10.778 -10.778 36 HA ASP 6 HA ASP 6 2.501 -9.817 -9.817 37 1HB ASP 6 HB2 ASP 6 1.463 -12.175 -12.175 38 2HB ASP 6 HB1 ASP 6 1.736 -12.557 -12.557 39 H ASP 7 H ASP 7 3.523 -11.497 -11.497 40 HA ASP 7 HA ASP 7 3.611 -11.796 -11.796 41 1HB ASP 7 HB2 ASP 7 1.221 -10.002 -10.002 42 2HB ASP 7 HB1 ASP 7 1.826 -11.293 -11.293 43 H LYS 8 H LYS 8 4.764 -9.638 -9.638 44 HA LYS 8 HA LYS 8 4.907 -7.525 -7.525 45 1HB LYS 8 HB2 LYS 8 5.899 -6.277 -6.277 46 2HB LYS 8 HB1 LYS 8 4.194 -6.238 -6.238 47 1HG LYS 8 HG2 LYS 8 4.304 -6.804 -6.804 48 2HG LYS 8 HG1 LYS 8 3.801 -8.252 -8.252 49 1HD LYS 8 HD2 LYS 8 5.624 -9.394 -9.394 50 2HD LYS 8 HD1 LYS 8 6.709 -8.087 -8.087 51 1HE LYS 8 HE2 LYS 8 6.862 -8.537 -8.537 52 2HE LYS 8 HE1 LYS 8 6.286 -6.891 -6.891 53 1HZ LYS 8 HZ1 LYS 8 4.588 -9.220 -9.220 54 2HZ LYS 8 HZ3 LYS 8 4.993 -7.972 -7.972 55 3HZ LYS 8 HZ2 LYS 8 4.042 -7.680 -7.680 56 H LEU 9 H LEU 9 6.359 -9.718 -9.718 57 HA LEU 9 HA LEU 9 8.441 -10.368 -10.368 58 1HB LEU 9 HB2 LEU 9 9.118 -7.608 -7.608 59 2HB LEU 9 HB1 LEU 9 10.330 -8.729 -8.729 60 HG LEU 9 HG LEU 9 9.629 -8.492 -8.492 61 1HD1 LEU 9 HD1 LEU 9 6.803 -7.914 -7.914 62 2HD1 LEU 9 HD1 LEU 9 7.299 -8.007 -8.007 63 3HD1 LEU 9 HD1 LEU 9 7.407 -9.441 -9.441 64 1HD2 LEU 9 HD2 LEU 9 10.216 -6.218 -6.218 65 2HD2 LEU 9 HD2 LEU 9 8.917 -6.155 -6.155 66 3HD2 LEU 9 HD2 LEU 9 8.540 -5.908 -5.908 67 H LYS 10 H LYS 10 9.775 -11.841 -11.841 68 HA LYS 10 HA LYS 10 10.749 -13.022 -13.022 69 1HB LYS 10 HB2 LYS 10 11.319 -10.246 -10.246 70 2HB LYS 10 HB1 LYS 10 11.326 -11.302 -11.302 71 1HG LYS 10 HG2 LYS 10 12.664 -12.526 -12.526 72 2HG LYS 10 HG1 LYS 10 13.399 -10.974 -10.974 73 1HD LYS 10 HD2 LYS 10 12.830 -12.488 -12.488 74 2HD LYS 10 HD1 LYS 10 13.710 -13.527 -13.527 75 1HE LYS 10 HE2 LYS 10 15.107 -11.154 -11.154 76 2HE LYS 10 HE1 LYS 10 14.614 -11.128 -11.128 77 1HZ LYS 10 HZ1 LYS 10 16.022 -13.341 -13.341 78 2HZ LYS 10 HZ3 LYS 10 16.708 -12.234 -12.234 79 3HZ LYS 10 HZ2 LYS 10 15.579 -13.319 -13.319 80 HA PRO 11 HA PRO 11 7.374 -14.071 -14.071 81 1HB PRO 11 HB2 PRO 11 8.711 -16.007 -16.007 82 2HB PRO 11 HB1 PRO 11 8.045 -16.317 -16.317 83 1HG PRO 11 HG2 PRO 11 10.840 -15.995 -15.995 84 2HG PRO 11 HG1 PRO 11 10.181 -16.706 -16.706 85 1HD PRO 11 HD2 PRO 11 11.404 -14.136 -14.136 86 2HD PRO 11 HD1 PRO 11 10.646 -14.820 -14.820 87 H ASP 12 H ASP 12 6.770 -12.401 -12.401 88 HA ASP 12 HA ASP 12 8.417 -11.191 -11.191 89 1HB ASP 12 HB2 ASP 12 6.215 -10.367 -10.367 90 2HB ASP 12 HB1 ASP 12 5.403 -11.430 -11.430 91 H PHE 13 H PHE 13 6.177 -13.981 -13.981 92 HA PHE 13 HA PHE 13 5.834 -14.363 -14.363 93 1HB PHE 13 HB2 PHE 13 5.335 -16.598 -16.598 94 2HB PHE 13 HB1 PHE 13 4.824 -15.657 -15.657 95 HD1 PHE 13 HD1 PHE 13 7.813 -17.644 -17.644 96 HD2 PHE 13 HD2 PHE 13 5.440 -16.306 -16.306 97 HE1 PHE 13 HE1 PHE 13 9.160 -19.070 -19.070 98 HE2 PHE 13 HE2 PHE 13 6.792 -17.736 -17.736 99 HZ PHE 13 HZ PHE 13 8.652 -19.119 -19.119 100 H CYS 14 H CYS 14 8.698 -14.868 -14.868 101 HA CYS 14 HA CYS 14 10.134 -16.489 -16.489 102 1HB CYS 14 HB2 CYS 14 10.973 -14.674 -14.674 103 2HB CYS 14 HB1 CYS 14 12.153 -15.567 -15.567 104 HG CYS 14 HG CYS 14 11.949 -17.145 -17.145 105 H PHE 15 H PHE 15 9.912 -12.930 -12.930 106 HA PHE 15 HA PHE 15 11.870 -12.277 -12.277 107 1HB PHE 15 HB2 PHE 15 9.697 -10.490 -10.490 108 2HB PHE 15 HB1 PHE 15 11.252 -10.039 -10.039 109 HD1 PHE 15 HD1 PHE 15 13.248 -11.647 -11.647 110 HD2 PHE 15 HD2 PHE 15 9.635 -9.862 -9.862 111 HE1 PHE 15 HE1 PHE 15 14.256 -11.588 -11.588 112 HE2 PHE 15 HE2 PHE 15 10.651 -9.807 -9.807 113 HZ PHE 15 HZ PHE 15 12.961 -10.670 -10.670 114 H LEU 16 H LEU 16 8.741 -13.622 -13.622 115 HA LEU 16 HA LEU 16 7.744 -12.136 -12.136 116 1HB LEU 16 HB2 LEU 16 6.706 -13.839 -13.839 117 2HB LEU 16 HB1 LEU 16 6.633 -14.791 -14.791 118 HG LEU 16 HG LEU 16 5.695 -12.271 -12.271 119 1HD1 LEU 16 HD1 LEU 16 4.503 -13.083 -13.083 120 2HD1 LEU 16 HD1 LEU 16 3.840 -11.826 -11.826 121 3HD1 LEU 16 HD1 LEU 16 5.443 -11.618 -11.618 122 1HD2 LEU 16 HD2 LEU 16 4.842 -14.392 -14.392 123 2HD2 LEU 16 HD2 LEU 16 3.490 -13.412 -13.412 124 3HD2 LEU 16 HD2 LEU 16 4.108 -14.788 -14.788 125 H GLU 17 H GLU 17 8.007 -12.505 -12.505 126 HA GLU 17 HA GLU 17 10.198 -13.914 -13.914 127 1HB GLU 17 HB2 GLU 17 7.744 -12.781 -12.781 128 2HB GLU 17 HB1 GLU 17 8.550 -14.041 -14.041 129 1HG GLU 17 HG2 GLU 17 10.694 -12.524 -12.524 130 2HG GLU 17 HG1 GLU 17 9.432 -11.282 -11.282 131 H GLU 18 H GLU 18 10.199 -15.870 -15.870 132 HA GLU 18 HA GLU 18 8.907 -18.051 -18.051 133 1HB GLU 18 HB2 GLU 18 10.390 -19.467 -19.467 134 2HB GLU 18 HB1 GLU 18 11.313 -17.951 -17.951 135 1HG GLU 18 HG2 GLU 18 10.242 -17.537 -17.537 136 2HG GLU 18 HG1 GLU 18 9.720 -19.232 -19.232 137 H ASP 19 H ASP 19 6.936 -18.860 -18.860 138 HA ASP 19 HA ASP 19 5.878 -18.352 -18.352 139 1HB ASP 19 HB2 ASP 19 4.778 -17.383 -17.383 140 2HB ASP 19 HB1 ASP 19 4.182 -19.045 -19.045 141 HA PRO 20 HA PRO 20 6.200 -22.839 -22.839 142 1HB PRO 20 HB2 PRO 20 6.550 -23.091 -23.091 143 2HB PRO 20 HB1 PRO 20 7.880 -22.886 -22.886 144 1HG PRO 20 HG2 PRO 20 6.732 -20.969 -20.969 145 2HG PRO 20 HG1 PRO 20 8.291 -20.937 -20.937 146 1HD PRO 20 HD2 PRO 20 5.957 -19.390 -19.390 147 2HD PRO 20 HD1 PRO 20 7.487 -19.448 -19.448 148 H GLY 21 H GLY 21 3.774 -21.875 -21.875 149 1HA GLY 21 HA1 GLY 21 1.517 -21.837 -21.837 150 2HA GLY 21 HA2 GLY 21 1.871 -23.562 -23.562 151 H ILE 22 H ILE 22 1.085 -24.712 -24.712 152 HA ILE 22 HA ILE 22 1.630 -23.600 -23.600 153 HB ILE 22 HB ILE 22 -0.767 -25.265 -25.265 154 1HG1 ILE 22 HG1 ILE 22 -0.380 -22.378 -22.378 155 2HG1 ILE 22 HG1 ILE 22 -1.271 -23.654 -23.654 156 1HG2 ILE 22 HG2 ILE 22 -0.124 -23.111 -23.111 157 2HG2 ILE 22 HG2 ILE 22 -1.674 -23.990 -23.990 158 3HG2 ILE 22 HG2 ILE 22 -0.179 -24.863 -24.863 159 1HD1 ILE 22 HD1 ILE 22 -2.134 -22.308 -22.308 160 2HD1 ILE 22 HD1 ILE 22 -2.811 -21.987 -21.987 161 3HD1 ILE 22 HD1 ILE 22 -3.041 -23.572 -23.572 162 H CYS 23 H CYS 23 0.348 -26.681 -26.681 163 HA CYS 23 HA CYS 23 1.124 -28.544 -28.544 164 1HB CYS 23 HB2 CYS 23 1.954 -28.671 -28.671 165 2HB CYS 23 HB1 CYS 23 1.707 -30.048 -30.048 166 HG CYS 23 HG CYS 23 -0.781 -30.376 -30.376 167 H ARG 24 H ARG 24 2.761 -27.941 -27.941 168 HA ARG 24 HA ARG 24 5.187 -26.880 -26.880 169 1HB ARG 24 HB2 ARG 24 6.070 -28.834 -28.834 170 2HB ARG 24 HB1 ARG 24 4.864 -27.678 -27.678 171 1HG ARG 24 HG2 ARG 24 3.341 -29.326 -29.326 172 2HG ARG 24 HG1 ARG 24 3.575 -29.888 -29.888 173 1HD ARG 24 HD2 ARG 24 5.225 -31.439 -31.439 174 2HD ARG 24 HD1 ARG 24 5.655 -30.538 -30.538 175 HE ARG 24 HE ARG 24 3.002 -31.304 -31.304 176 1HH1 ARG 24 HH1 ARG 24 6.058 -32.951 -32.951 177 2HH1 ARG 24 HH1 ARG 24 5.620 -34.448 -34.448 178 1HH2 ARG 24 HH2 ARG 24 2.397 -33.279 -33.279 179 2HH2 ARG 24 HH2 ARG 24 3.528 -34.635 -34.635 180 H GLY 25 H GLY 25 4.323 -30.214 -30.214 181 1HA GLY 25 HA1 GLY 25 6.377 -31.618 -31.618 182 2HA GLY 25 HA2 GLY 25 5.290 -31.130 -31.130 183 H TYR 26 H TYR 26 8.329 -30.322 -30.322 184 HA TYR 26 HA TYR 26 9.006 -28.193 -28.193 185 1HB TYR 26 HB1 TYR 26 10.622 -29.816 -29.816 186 2HB TYR 26 HB2 TYR 26 11.343 -28.555 -28.555 187 HD1 TYR 26 HD2 TYR 26 8.519 -26.912 -26.912 188 HD2 TYR 26 HD1 TYR 26 11.373 -28.481 -28.481 189 HE1 TYR 26 HE2 TYR 26 7.838 -25.180 -25.180 190 HE2 TYR 26 HE1 TYR 26 10.691 -26.750 -26.750 191 HH TYR 26 HH TYR 26 8.616 -24.047 -24.047 192 H ILE 27 H ILE 27 9.819 -28.303 -28.303 193 HA ILE 27 HA ILE 27 11.044 -30.886 -30.886 194 HB ILE 27 HB ILE 27 9.487 -29.274 -29.274 195 1HG1 ILE 27 HG1 ILE 27 7.681 -31.228 -31.228 196 2HG1 ILE 27 HG1 ILE 27 8.391 -30.737 -30.737 197 1HG2 ILE 27 HG2 ILE 27 10.102 -32.247 -32.247 198 2HG2 ILE 27 HG2 ILE 27 9.127 -31.502 -31.502 199 3HG2 ILE 27 HG2 ILE 27 10.845 -31.093 -31.093 200 1HD1 ILE 27 HD1 ILE 27 7.162 -28.858 -28.858 201 2HD1 ILE 27 HD1 ILE 27 6.399 -29.374 -29.374 202 3HD1 ILE 27 HD1 ILE 27 7.854 -28.359 -28.359 203 H THR 28 H THR 28 13.166 -30.538 -30.538 204 HA THR 28 HA THR 28 14.410 -28.061 -28.061 205 HB THR 28 HB THR 28 15.261 -30.830 -30.830 206 HG1 THR 28 HG1 THR 28 15.895 -29.200 -29.200 207 1HG2 THR 28 HG2 THR 28 16.615 -28.116 -28.116 208 2HG2 THR 28 HG2 THR 28 17.547 -29.511 -29.511 209 3HG2 THR 28 HG2 THR 28 16.939 -29.494 -29.494 210 H ARG 29 H ARG 29 13.051 -26.716 -26.716 211 HA ARG 29 HA ARG 29 13.309 -27.356 -27.356 212 1HB ARG 29 HB2 ARG 29 11.225 -25.769 -25.769 213 2HB ARG 29 HB1 ARG 29 11.409 -25.629 -25.629 214 1HG ARG 29 HG2 ARG 29 11.347 -28.425 -28.425 215 2HG ARG 29 HG1 ARG 29 9.950 -27.587 -27.587 216 1HD ARG 29 HD2 ARG 29 9.959 -26.553 -26.553 217 2HD ARG 29 HD1 ARG 29 10.600 -28.181 -28.181 218 HE ARG 29 HE ARG 29 7.893 -27.431 -27.431 219 1HH1 ARG 29 HH1 ARG 29 10.334 -29.992 -29.992 220 2HH1 ARG 29 HH1 ARG 29 9.175 -31.316 -31.316 221 1HH2 ARG 29 HH2 ARG 29 6.335 -29.171 -29.171 222 2HH2 ARG 29 HH2 ARG 29 6.891 -30.847 -30.847 223 H TYR 30 H TYR 30 13.059 -25.034 -25.034 224 HA TYR 30 HA TYR 30 14.921 -23.177 -23.177 225 1HB TYR 30 HB1 TYR 30 15.112 -24.040 -24.040 226 2HB TYR 30 HB2 TYR 30 16.129 -22.840 -22.840 227 HD1 TYR 30 HD1 TYR 30 15.148 -26.471 -26.471 228 HD2 TYR 30 HD2 TYR 30 18.221 -23.451 -23.451 229 HE1 TYR 30 HE1 TYR 30 16.779 -28.211 -28.211 230 HE2 TYR 30 HE2 TYR 30 19.851 -25.193 -25.193 231 HH TYR 30 HH TYR 30 18.924 -28.555 -28.555 232 H PHE 31 H PHE 31 14.901 -20.931 -20.931 233 HA PHE 31 HA PHE 31 12.547 -20.194 -20.194 234 1HB PHE 31 HB2 PHE 31 11.323 -19.089 -19.089 235 2HB PHE 31 HB1 PHE 31 11.800 -20.550 -20.550 236 HD1 PHE 31 HD2 PHE 31 14.053 -20.410 -20.410 237 HD2 PHE 31 HD1 PHE 31 11.678 -16.997 -16.997 238 HE1 PHE 31 HE2 PHE 31 15.054 -19.067 -19.067 239 HE2 PHE 31 HE1 PHE 31 12.685 -15.662 -15.662 240 HZ PHE 31 HZ PHE 31 14.372 -16.693 -16.693 241 H TYR 32 H TYR 32 12.789 -18.107 -18.107 242 HA TYR 32 HA TYR 32 15.532 -17.104 -17.104 243 1HB TYR 32 HB1 TYR 32 14.082 -17.240 -17.240 244 2HB TYR 32 HB2 TYR 32 13.199 -15.859 -15.859 245 HD1 TYR 32 HD2 TYR 32 14.300 -13.630 -13.630 246 HD2 TYR 32 HD1 TYR 32 16.321 -16.942 -16.942 247 HE1 TYR 32 HE2 TYR 32 15.960 -12.061 -12.061 248 HE2 TYR 32 HE1 TYR 32 17.979 -15.373 -15.373 249 HH TYR 32 HH TYR 32 18.221 -12.933 -12.933 250 H ASN 33 H ASN 33 16.003 -16.117 -16.117 251 HA ASN 33 HA ASN 33 14.004 -14.272 -14.272 252 1HB ASN 33 HB2 ASN 33 15.411 -15.956 -15.956 253 2HB ASN 33 HB1 ASN 33 16.802 -14.908 -14.908 254 1HD2 ASN 33 HD2 ASN 33 15.300 -14.015 -14.015 255 2HD2 ASN 33 HD2 ASN 33 15.963 -15.468 -15.468 256 H ASN 34 H ASN 34 14.070 -12.103 -12.103 257 HA ASN 34 HA ASN 34 16.066 -10.935 -10.935 258 1HB ASN 34 HB2 ASN 34 13.893 -9.910 -9.910 259 2HB ASN 34 HB1 ASN 34 13.867 -9.812 -9.812 260 1HD2 ASN 34 HD2 ASN 34 15.198 -6.608 -6.608 261 2HD2 ASN 34 HD2 ASN 34 14.257 -7.917 -7.917 262 H GLN 35 H GLN 35 15.773 -11.487 -11.487 263 HA GLN 35 HA GLN 35 17.334 -9.414 -9.414 264 1HB GLN 35 HB2 GLN 35 16.118 -11.536 -11.536 265 2HB GLN 35 HB1 GLN 35 17.785 -12.145 -12.145 266 1HG GLN 35 HG2 GLN 35 17.335 -9.332 -9.332 267 2HG GLN 35 HG1 GLN 35 16.747 -10.632 -10.632 268 1HE2 GLN 35 HE2 GLN 35 20.056 -10.157 -10.157 269 2HE2 GLN 35 HE2 GLN 35 18.395 -9.561 -9.561 270 H THR 36 H THR 36 18.268 -12.337 -12.337 271 HA THR 36 HA THR 36 21.082 -11.337 -11.337 272 HB THR 36 HB THR 36 21.824 -13.753 -13.753 273 HG1 THR 36 HG1 THR 36 20.152 -15.252 -15.252 274 1HG2 THR 36 HG2 THR 36 19.971 -12.623 -12.623 275 2HG2 THR 36 HG2 THR 36 20.374 -14.349 -14.349 276 3HG2 THR 36 HG2 THR 36 21.670 -13.140 -13.140 277 H LYS 37 H LYS 37 18.582 -11.078 -11.078 278 HA LYS 37 HA LYS 37 18.003 -11.505 -11.505 279 1HB LYS 37 HB2 LYS 37 20.796 -10.352 -10.352 280 2HB LYS 37 HB1 LYS 37 19.675 -10.451 -10.451 281 1HG LYS 37 HG2 LYS 37 18.767 -8.500 -8.500 282 2HG LYS 37 HG1 LYS 37 18.201 -9.323 -9.323 283 1HD LYS 37 HD2 LYS 37 19.474 -7.565 -7.565 284 2HD LYS 37 HD1 LYS 37 20.653 -8.891 -8.891 285 1HE LYS 37 HE2 LYS 37 21.910 -7.893 -7.893 286 2HE LYS 37 HE1 LYS 37 20.483 -7.279 -7.279 287 1HZ LYS 37 HZ1 LYS 37 21.622 -6.161 -6.161 288 2HZ LYS 37 HZ3 LYS 37 21.787 -5.519 -5.519 289 3HZ LYS 37 HZ2 LYS 37 20.296 -5.570 -5.570 290 H GLN 38 H GLN 38 18.367 -13.966 -13.966 291 HA GLN 38 HA GLN 38 19.394 -15.359 -15.359 292 1HB GLN 38 HB2 GLN 38 21.271 -14.880 -14.880 293 2HB GLN 38 HB1 GLN 38 20.822 -16.595 -16.595 294 1HG GLN 38 HG2 GLN 38 21.135 -16.348 -16.348 295 2HG GLN 38 HG1 GLN 38 22.246 -15.069 -15.069 296 1HE2 GLN 38 HE2 GLN 38 24.768 -17.472 -17.472 297 2HE2 GLN 38 HE2 GLN 38 24.152 -15.983 -15.983 298 H CYS 39 H CYS 39 19.721 -17.934 -17.934 299 HA CYS 39 HA CYS 39 16.950 -18.316 -18.316 300 1HB CYS 39 HB2 CYS 39 18.858 -20.153 -20.153 301 2HB CYS 39 HB1 CYS 39 17.359 -20.717 -20.717 302 HG CYS 39 HG CYS 39 17.767 -18.864 -18.864 303 H GLU 40 H GLU 40 16.683 -18.755 -18.755 304 HA GLU 40 HA GLU 40 19.047 -19.824 -19.824 305 1HB GLU 40 HB2 GLU 40 16.650 -18.421 -18.421 306 2HB GLU 40 HB1 GLU 40 18.199 -18.805 -18.805 307 1HG GLU 40 HG2 GLU 40 19.240 -17.322 -17.322 308 2HG GLU 40 HG1 GLU 40 17.585 -16.729 -16.729 309 H ARG 41 H ARG 41 18.749 -21.542 -21.542 310 HA ARG 41 HA ARG 41 16.654 -23.391 -23.391 311 1HB ARG 41 HB2 ARG 41 19.219 -23.565 -23.565 312 2HB ARG 41 HB1 ARG 41 18.003 -24.304 -24.304 313 1HG ARG 41 HG2 ARG 41 17.555 -26.007 -26.007 314 2HG ARG 41 HG1 ARG 41 17.855 -24.985 -24.985 315 1HD ARG 41 HD2 ARG 41 19.560 -26.862 -26.862 316 2HD ARG 41 HD1 ARG 41 20.234 -25.237 -25.237 317 HE ARG 41 HE ARG 41 20.000 -26.765 -26.765 318 1HH1 ARG 41 HH1 ARG 41 21.023 -23.860 -23.860 319 2HH1 ARG 41 HH1 ARG 41 22.074 -23.264 -23.264 320 1HH2 ARG 41 HH2 ARG 41 21.388 -25.996 -25.996 321 2HH2 ARG 41 HH2 ARG 41 22.282 -24.485 -24.485 322 H PHE 42 H PHE 42 14.840 -24.027 -24.027 323 HA PHE 42 HA PHE 42 14.426 -23.131 -23.131 324 1HB PHE 42 HB2 PHE 42 12.870 -21.505 -21.505 325 2HB PHE 42 HB1 PHE 42 13.914 -21.181 -21.181 326 HD1 PHE 42 HD2 PHE 42 13.281 -22.622 -22.622 327 HD2 PHE 42 HD1 PHE 42 10.546 -21.539 -21.539 328 HE1 PHE 42 HE2 PHE 42 11.364 -22.866 -22.866 329 HE2 PHE 42 HE1 PHE 42 8.636 -21.785 -21.785 330 HZ PHE 42 HZ PHE 42 9.041 -22.448 -22.448 331 H LYS 43 H LYS 43 12.550 -24.135 -24.135 332 HA LYS 43 HA LYS 43 11.780 -26.547 -26.547 333 1HB LYS 43 HB2 LYS 43 10.683 -27.018 -27.018 334 2HB LYS 43 HB1 LYS 43 12.415 -27.260 -27.260 335 1HG LYS 43 HG2 LYS 43 11.559 -24.523 -24.523 336 2HG LYS 43 HG1 LYS 43 11.435 -25.805 -25.805 337 1HD LYS 43 HD2 LYS 43 13.899 -26.371 -26.371 338 2HD LYS 43 HD1 LYS 43 13.862 -24.663 -24.663 339 1HE LYS 43 HE2 LYS 43 13.216 -24.077 -24.077 340 2HE LYS 43 HE1 LYS 43 13.402 -25.788 -25.788 341 1HZ LYS 43 HZ1 LYS 43 15.514 -24.044 -24.044 342 2HZ LYS 43 HZ3 LYS 43 15.367 -24.516 -24.516 343 3HZ LYS 43 HZ2 LYS 43 15.702 -25.640 -25.640 344 H TYR 44 H TYR 44 9.831 -26.745 -26.745 345 HA TYR 44 HA TYR 44 7.983 -24.483 -24.483 346 1HB TYR 44 HB1 TYR 44 8.289 -25.256 -25.256 347 2HB TYR 44 HB2 TYR 44 8.115 -26.939 -26.939 348 HD1 TYR 44 HD2 TYR 44 5.740 -24.472 -24.472 349 HD2 TYR 44 HD1 TYR 44 6.442 -27.329 -27.329 350 HE1 TYR 44 HE2 TYR 44 3.329 -24.422 -24.422 351 HE2 TYR 44 HE1 TYR 44 4.032 -27.278 -27.278 352 HH TYR 44 HH TYR 44 2.006 -25.459 -25.459 353 H GLY 45 H GLY 45 7.964 -25.308 -25.308 354 1HA GLY 45 HA1 GLY 45 6.389 -27.589 -27.589 355 2HA GLY 45 HA2 GLY 45 6.674 -26.174 -26.174 356 H GLY 46 H GLY 46 4.855 -27.069 -27.069 357 1HA GLY 46 HA1 GLY 46 2.314 -26.262 -26.262 358 2HA GLY 46 HA2 GLY 46 2.936 -25.060 -25.060 359 H CYS 47 H CYS 47 0.535 -26.628 -26.628 360 HA CYS 47 HA CYS 47 1.398 -28.552 -28.552 361 1HB CYS 47 HB2 CYS 47 -1.170 -28.201 -28.201 362 2HB CYS 47 HB1 CYS 47 -1.071 -29.192 -29.192 363 HG CYS 47 HG CYS 47 0.405 -31.219 -31.219 364 H LEU 48 H LEU 48 0.252 -25.361 -25.361 365 HA LEU 48 HA LEU 48 -0.644 -25.274 -25.274 366 1HB LEU 48 HB2 LEU 48 -2.415 -24.940 -24.940 367 2HB LEU 48 HB1 LEU 48 -1.565 -23.467 -23.467 368 HG LEU 48 HG LEU 48 -3.602 -23.590 -23.590 369 1HD1 LEU 48 HD1 LEU 48 -1.355 -21.536 -21.536 370 2HD1 LEU 48 HD1 LEU 48 -2.961 -21.286 -21.286 371 3HD1 LEU 48 HD1 LEU 48 -2.812 -21.543 -21.543 372 1HD2 LEU 48 HD2 LEU 48 -2.308 -24.802 -24.802 373 2HD2 LEU 48 HD2 LEU 48 -2.682 -23.158 -23.158 374 3HD2 LEU 48 HD2 LEU 48 -1.057 -23.543 -23.543 375 H GLY 49 H GLY 49 0.754 -23.279 -23.279 376 1HA GLY 49 HA1 GLY 49 2.179 -21.445 -21.445 377 2HA GLY 49 HA2 GLY 49 3.139 -22.544 -22.544 378 H ASN 50 H ASN 50 3.871 -20.576 -20.576 379 HA ASN 50 HA ASN 50 1.773 -19.430 -19.430 380 1HB ASN 50 HB2 ASN 50 3.161 -17.518 -17.518 381 2HB ASN 50 HB1 ASN 50 3.302 -17.927 -17.927 382 1HD2 ASN 50 HD2 ASN 50 6.694 -17.219 -17.219 383 2HD2 ASN 50 HD2 ASN 50 5.155 -16.361 -16.361 384 H MET 51 H MET 51 3.796 -18.408 -18.408 385 HA MET 51 HA MET 51 4.069 -20.833 -20.833 386 1HB MET 51 HB2 MET 51 4.257 -17.894 -17.894 387 2HB MET 51 HB1 MET 51 5.397 -18.837 -18.837 388 1HG MET 51 HG2 MET 51 2.450 -19.564 -19.564 389 2HG MET 51 HG1 MET 51 3.035 -18.331 -18.331 390 1HE MET 51 HE1 MET 51 5.857 -19.251 -19.251 391 2HE MET 51 HE3 MET 51 5.484 -20.304 -20.304 392 3HE MET 51 HE2 MET 51 4.585 -18.793 -18.793 393 H ASN 52 H ASN 52 6.417 -18.194 -18.194 394 HA ASN 52 HA ASN 52 8.768 -19.455 -19.455 395 1HB ASN 52 HB2 ASN 52 8.257 -17.145 -17.145 396 2HB ASN 52 HB1 ASN 52 8.584 -18.098 -18.098 397 1HD2 ASN 52 HD2 ASN 52 11.831 -16.666 -16.666 398 2HD2 ASN 52 HD2 ASN 52 10.263 -16.267 -16.267 399 H ASN 53 H ASN 53 8.762 -21.715 -21.715 400 HA ASN 53 HA ASN 53 9.688 -22.652 -22.652 401 1HB ASN 53 HB2 ASN 53 7.381 -22.647 -22.647 402 2HB ASN 53 HB1 ASN 53 6.830 -23.300 -23.300 403 1HD2 ASN 53 HD2 ASN 53 9.102 -25.846 -25.846 404 2HD2 ASN 53 HD2 ASN 53 9.571 -24.169 -24.169 405 H PHE 54 H PHE 54 11.229 -23.018 -23.018 406 HA PHE 54 HA PHE 54 10.535 -25.190 -25.190 407 1HB PHE 54 HB2 PHE 54 13.224 -23.938 -23.938 408 2HB PHE 54 HB1 PHE 54 12.786 -24.895 -24.895 409 HD1 PHE 54 HD1 PHE 54 12.368 -21.567 -21.567 410 HD2 PHE 54 HD2 PHE 54 11.556 -23.968 -23.968 411 HE1 PHE 54 HE1 PHE 54 11.720 -19.524 -19.524 412 HE2 PHE 54 HE2 PHE 54 10.910 -21.918 -21.918 413 HZ PHE 54 HZ PHE 54 10.991 -19.694 -19.694 414 H GLU 55 H GLU 55 11.946 -27.162 -27.162 415 HA GLU 55 HA GLU 55 12.454 -28.149 -28.149 416 1HB GLU 55 HB2 GLU 55 12.278 -30.064 -30.064 417 2HB GLU 55 HB1 GLU 55 11.715 -30.233 -30.233 418 1HG GLU 55 HG2 GLU 55 9.856 -28.645 -28.645 419 2HG GLU 55 HG1 GLU 55 10.424 -28.529 -28.529 420 H THR 56 H THR 56 14.219 -26.512 -26.512 421 HA THR 56 HA THR 56 16.674 -27.850 -27.850 422 HB THR 56 HB THR 56 16.886 -27.947 -27.947 423 HG1 THR 56 HG1 THR 56 15.026 -29.299 -29.299 424 1HG2 THR 56 HG2 THR 56 16.625 -29.913 -29.913 425 2HG2 THR 56 HG2 THR 56 16.380 -30.533 -30.533 426 3HG2 THR 56 HG2 THR 56 17.932 -29.791 -29.791 427 H LEU 57 H LEU 57 18.536 -26.538 -26.538 428 HA LEU 57 HA LEU 57 17.864 -23.753 -23.753 429 1HB LEU 57 HB2 LEU 57 19.771 -24.819 -24.819 430 2HB LEU 57 HB1 LEU 57 20.558 -25.019 -25.019 431 HG LEU 57 HG LEU 57 20.240 -22.482 -22.482 432 1HD1 LEU 57 HD1 LEU 57 19.965 -22.751 -22.751 433 2HD1 LEU 57 HD1 LEU 57 20.267 -21.223 -21.223 434 3HD1 LEU 57 HD1 LEU 57 18.753 -22.112 -22.112 435 1HD2 LEU 57 HD2 LEU 57 22.446 -23.533 -23.533 436 2HD2 LEU 57 HD2 LEU 57 22.392 -22.029 -22.029 437 3HD2 LEU 57 HD2 LEU 57 22.265 -23.607 -23.607 438 H GLU 58 H GLU 58 19.538 -25.943 -25.943 439 HA GLU 58 HA GLU 58 19.851 -24.056 -24.056 440 1HB GLU 58 HB2 GLU 58 20.463 -26.701 -26.701 441 2HB GLU 58 HB1 GLU 58 19.135 -26.797 -26.797 442 1HG GLU 58 HG2 GLU 58 20.315 -25.147 -25.147 443 2HG GLU 58 HG1 GLU 58 21.635 -25.066 -25.066 444 H GLU 59 H GLU 59 17.016 -26.008 -26.008 445 HA GLU 59 HA GLU 59 15.464 -25.394 -25.394 446 1HB GLU 59 HB2 GLU 59 15.157 -27.121 -27.121 447 2HB GLU 59 HB1 GLU 59 14.033 -25.840 -25.840 448 1HG GLU 59 HG2 GLU 59 12.634 -26.190 -26.190 449 2HG GLU 59 HG1 GLU 59 13.954 -26.771 -26.771 450 H CYS 60 H CYS 60 15.686 -23.939 -23.939 451 HA CYS 60 HA CYS 60 13.718 -21.946 -21.946 452 1HB CYS 60 HB2 CYS 60 14.231 -22.474 -22.474 453 2HB CYS 60 HB1 CYS 60 15.965 -22.187 -22.187 454 HG CYS 60 HG CYS 60 15.148 -19.300 -19.300 455 H LYS 61 H LYS 61 17.126 -22.275 -22.275 456 HA LYS 61 HA LYS 61 17.462 -19.449 -19.449 457 1HB LYS 61 HB2 LYS 61 19.230 -21.808 -21.808 458 2HB LYS 61 HB1 LYS 61 19.675 -20.096 -20.096 459 1HG LYS 61 HG2 LYS 61 18.680 -20.412 -20.412 460 2HG LYS 61 HG1 LYS 61 19.679 -21.849 -21.849 461 1HD LYS 61 HD2 LYS 61 21.617 -20.630 -20.630 462 2HD LYS 61 HD1 LYS 61 20.853 -19.279 -19.279 463 1HE LYS 61 HE2 LYS 61 21.016 -18.181 -18.181 464 2HE LYS 61 HE1 LYS 61 19.631 -19.172 -19.172 465 1HZ LYS 61 HZ1 LYS 61 22.479 -19.866 -19.866 466 2HZ LYS 61 HZ3 LYS 61 21.439 -19.307 -19.307 467 3HZ LYS 61 HZ2 LYS 61 21.189 -20.793 -20.793 468 H ASN 62 H ASN 62 17.104 -22.481 -22.481 469 HA ASN 62 HA ASN 62 17.228 -21.360 -21.360 470 1HB ASN 62 HB2 ASN 62 16.821 -23.856 -23.856 471 2HB ASN 62 HB1 ASN 62 15.116 -23.423 -23.423 472 1HD2 ASN 62 HD2 ASN 62 16.152 -24.994 -24.994 473 2HD2 ASN 62 HD2 ASN 62 15.821 -25.416 -25.416 474 H ILE 63 H ILE 63 14.405 -21.677 -21.677 475 HA ILE 63 HA ILE 63 12.635 -20.394 -20.394 476 HB ILE 63 HB ILE 63 12.469 -21.265 -21.265 477 1HG1 ILE 63 HG1 ILE 63 10.393 -22.463 -22.463 478 2HG1 ILE 63 HG1 ILE 63 11.413 -22.160 -22.160 479 1HG2 ILE 63 HG2 ILE 63 10.325 -19.684 -19.684 480 2HG2 ILE 63 HG2 ILE 63 10.084 -20.550 -20.550 481 3HG2 ILE 63 HG2 ILE 63 11.208 -19.180 -19.180 482 1HD1 ILE 63 HD1 ILE 63 12.280 -23.619 -23.619 483 2HD1 ILE 63 HD1 ILE 63 11.877 -24.383 -24.383 484 3HD1 ILE 63 HD1 ILE 63 13.303 -23.336 -23.336 485 H CYS 64 H CYS 64 14.118 -19.393 -19.393 486 HA CYS 64 HA CYS 64 13.287 -16.648 -16.648 487 1HB CYS 64 HB2 CYS 64 15.209 -17.744 -17.744 488 2HB CYS 64 HB1 CYS 64 14.404 -16.163 -16.163 489 HG CYS 64 HG CYS 64 13.415 -18.762 -18.762 490 H GLU 65 H GLU 65 16.601 -17.569 -17.569 491 HA GLU 65 HA GLU 65 18.026 -15.602 -15.602 492 1HB GLU 65 HB2 GLU 65 18.596 -18.527 -18.527 493 2HB GLU 65 HB1 GLU 65 19.720 -17.559 -17.559 494 1HG GLU 65 HG2 GLU 65 19.338 -15.984 -15.984 495 2HG GLU 65 HG1 GLU 65 19.302 -17.629 -17.629 496 H ASP 66 H ASP 66 16.479 -18.219 -18.219 497 HA ASP 66 HA ASP 66 16.278 -18.547 -18.547 498 1HB ASP 66 HB2 ASP 66 15.677 -16.588 -16.588 499 2HB ASP 66 HB1 ASP 66 14.877 -16.547 -16.547 500 H GLY 67 H GLY 67 18.216 -19.507 -19.507 501 1HA GLY 67 HA1 GLY 67 20.703 -18.142 -18.142 502 2HA GLY 67 HA2 GLY 67 20.256 -19.667 -19.667 503 HA PRO 68 HA PRO 68 20.587 -16.623 -16.623 504 1HB PRO 68 HB2 PRO 68 21.800 -18.463 -18.463 505 2HB PRO 68 HB1 PRO 68 22.698 -17.377 -17.377 506 1HG PRO 68 HG2 PRO 68 22.249 -20.278 -20.278 507 2HG PRO 68 HG1 PRO 68 23.459 -19.258 -19.258 508 1HD PRO 68 HD2 PRO 68 21.083 -20.369 -20.369 509 2HD PRO 68 HD1 PRO 68 22.248 -19.263 -19.263 510 H ASN 69 H ASN 69 19.834 -16.768 -16.768 511 HA ASN 69 HA ASN 69 17.150 -17.417 -17.417 512 1HB ASN 69 HB2 ASN 69 18.871 -16.336 -16.336 513 2HB ASN 69 HB1 ASN 69 18.750 -17.965 -17.965 514 1HD2 ASN 69 HD2 ASN 69 16.119 -16.316 -16.316 515 2HD2 ASN 69 HD2 ASN 69 17.856 -16.639 -16.639 516 H GLY 70 H GLY 70 16.308 -19.345 -19.345 517 1HA GLY 70 HA1 GLY 70 15.762 -21.556 -21.556 518 2HA GLY 70 HA2 GLY 70 17.515 -21.834 -21.834 519 H PHE 71 H PHE 71 14.658 -22.409 -22.409 520 HA PHE 71 HA PHE 71 15.972 -23.725 -23.725 521 1HB PHE 71 HB2 PHE 71 14.972 -22.125 -22.125 522 2HB PHE 71 HB1 PHE 71 16.515 -21.723 -21.723 523 HD1 PHE 71 HD2 PHE 71 13.150 -21.258 -21.258 524 HD2 PHE 71 HD1 PHE 71 16.559 -19.350 -19.350 525 HE1 PHE 71 HE2 PHE 71 12.282 -19.031 -19.031 526 HE2 PHE 71 HE1 PHE 71 15.684 -17.129 -17.129 527 HZ PHE 71 HZ PHE 71 13.547 -16.965 -16.965 Start of MODEL 15 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.613 -0.633 -0.633 3 1HB ASP 1 HB2 ASP 1 1.324 1.704 1.704 4 2HB ASP 1 HB1 ASP 1 2.484 2.064 2.064 5 H TYR 2 H TYR 2 4.162 1.237 1.237 6 HA TYR 2 HA TYR 2 5.684 -1.040 -1.040 7 1HB TYR 2 HB1 TYR 2 7.399 -1.093 -1.093 8 2HB TYR 2 HB2 TYR 2 5.822 -1.451 -1.451 9 HD1 TYR 2 HD1 TYR 2 8.162 1.481 1.481 10 HD2 TYR 2 HD2 TYR 2 5.068 -0.349 -0.349 11 HE1 TYR 2 HE1 TYR 2 8.432 3.261 3.261 12 HE2 TYR 2 HE2 TYR 2 5.339 1.433 1.433 13 HH TYR 2 HH TYR 2 6.482 3.334 3.334 14 H LYS 3 H LYS 3 5.772 2.332 2.332 15 HA LYS 3 HA LYS 3 6.655 4.190 4.190 16 1HB LYS 3 HB2 LYS 3 6.045 2.750 2.750 17 2HB LYS 3 HB1 LYS 3 7.796 2.938 2.938 18 1HG LYS 3 HG2 LYS 3 5.811 5.194 5.194 19 2HG LYS 3 HG1 LYS 3 6.500 4.785 4.785 20 1HD LYS 3 HD2 LYS 3 8.807 5.105 5.105 21 2HD LYS 3 HD1 LYS 3 7.874 5.936 5.936 22 1HE LYS 3 HE2 LYS 3 8.250 6.692 6.692 23 2HE LYS 3 HE1 LYS 3 8.563 7.672 7.672 24 1HZ LYS 3 HZ1 LYS 3 5.907 6.800 6.800 25 2HZ LYS 3 HZ3 LYS 3 6.557 8.331 8.331 26 3HZ LYS 3 HZ2 LYS 3 6.189 7.732 7.732 27 H ASP 4 H ASP 4 8.931 1.673 1.673 28 HA ASP 4 HA ASP 4 10.844 1.477 1.477 29 1HB ASP 4 HB2 ASP 4 11.180 3.740 3.740 30 2HB ASP 4 HB1 ASP 4 10.930 4.215 4.215 31 H ASP 5 H ASP 5 12.475 0.212 0.212 32 HA ASP 5 HA ASP 5 14.038 -0.489 -0.489 33 1HB ASP 5 HB2 ASP 5 13.405 1.737 1.737 34 2HB ASP 5 HB1 ASP 5 12.338 0.679 0.679 35 H ASP 6 H ASP 6 10.519 -0.561 -0.561 36 HA ASP 6 HA ASP 6 9.928 -2.455 -2.455 37 1HB ASP 6 HB2 ASP 6 8.427 -3.496 -3.496 38 2HB ASP 6 HB1 ASP 6 8.089 -1.880 -1.880 39 H ASP 7 H ASP 7 10.911 -3.310 -3.310 40 HA ASP 7 HA ASP 7 12.119 -5.802 -5.802 41 1HB ASP 7 HB2 ASP 7 10.441 -5.370 -5.370 42 2HB ASP 7 HB1 ASP 7 11.554 -6.743 -6.743 43 H LYS 8 H LYS 8 11.899 -4.117 -4.117 44 HA LYS 8 HA LYS 8 13.501 -3.352 -3.352 45 1HB LYS 8 HB2 LYS 8 15.254 -3.324 -3.324 46 2HB LYS 8 HB1 LYS 8 15.669 -2.578 -2.578 47 1HG LYS 8 HG2 LYS 8 13.186 -1.516 -1.516 48 2HG LYS 8 HG1 LYS 8 13.725 -1.720 -1.720 49 1HD LYS 8 HD2 LYS 8 15.117 -0.172 -0.172 50 2HD LYS 8 HD1 LYS 8 14.365 0.501 0.501 51 1HE LYS 8 HE2 LYS 8 16.342 0.290 0.290 52 2HE LYS 8 HE1 LYS 8 16.257 -1.468 -1.468 53 1HZ LYS 8 HZ1 LYS 8 17.362 0.473 0.473 54 2HZ LYS 8 HZ3 LYS 8 18.246 -0.535 -0.535 55 3HZ LYS 8 HZ2 LYS 8 17.302 -1.173 -1.173 56 H LEU 9 H LEU 9 15.250 -5.588 -5.588 57 HA LEU 9 HA LEU 9 15.534 -7.499 -7.499 58 1HB LEU 9 HB2 LEU 9 17.995 -7.656 -7.656 59 2HB LEU 9 HB1 LEU 9 17.382 -6.236 -6.236 60 HG LEU 9 HG LEU 9 19.297 -5.971 -5.971 61 1HD1 LEU 9 HD1 LEU 9 16.853 -4.160 -4.160 62 2HD1 LEU 9 HD1 LEU 9 18.494 -3.718 -3.718 63 3HD1 LEU 9 HD1 LEU 9 18.186 -4.057 -4.057 64 1HD2 LEU 9 HD2 LEU 9 18.327 -7.241 -7.241 65 2HD2 LEU 9 HD2 LEU 9 18.586 -5.546 -5.546 66 3HD2 LEU 9 HD2 LEU 9 16.956 -6.118 -6.118 67 H LYS 10 H LYS 10 14.086 -7.395 -7.395 68 HA LYS 10 HA LYS 10 15.626 -9.370 -9.370 69 1HB LYS 10 HB2 LYS 10 13.997 -7.101 -7.101 70 2HB LYS 10 HB1 LYS 10 13.364 -8.582 -8.582 71 1HG LYS 10 HG2 LYS 10 16.314 -8.345 -8.345 72 2HG LYS 10 HG1 LYS 10 15.468 -7.055 -7.055 73 1HD LYS 10 HD2 LYS 10 14.129 -9.476 -9.476 74 2HD LYS 10 HD1 LYS 10 15.864 -9.844 -9.844 75 1HE LYS 10 HE2 LYS 10 15.985 -7.574 -7.574 76 2HE LYS 10 HE1 LYS 10 14.247 -7.843 -7.843 77 1HZ LYS 10 HZ1 LYS 10 16.404 -9.745 -9.745 78 2HZ LYS 10 HZ3 LYS 10 15.558 -8.789 -8.789 79 3HZ LYS 10 HZ2 LYS 10 14.781 -9.998 -9.998 80 HA PRO 11 HA PRO 11 12.833 -12.450 -12.450 81 1HB PRO 11 HB2 PRO 11 13.223 -14.286 -14.286 82 2HB PRO 11 HB1 PRO 11 14.319 -14.112 -14.112 83 1HG PRO 11 HG2 PRO 11 14.659 -13.255 -13.255 84 2HG PRO 11 HG1 PRO 11 15.870 -13.473 -13.473 85 1HD PRO 11 HD2 PRO 11 14.807 -11.004 -11.004 86 2HD PRO 11 HD1 PRO 11 15.937 -11.246 -11.246 87 H ASP 12 H ASP 12 10.739 -11.922 -11.922 88 HA ASP 12 HA ASP 12 9.308 -11.073 -11.073 89 1HB ASP 12 HB2 ASP 12 8.614 -10.564 -10.564 90 2HB ASP 12 HB1 ASP 12 8.333 -12.292 -12.292 91 H PHE 13 H PHE 13 10.018 -14.240 -14.240 92 HA PHE 13 HA PHE 13 7.972 -15.832 -15.832 93 1HB PHE 13 HB2 PHE 13 9.356 -17.659 -17.659 94 2HB PHE 13 HB1 PHE 13 9.689 -16.479 -16.479 95 HD1 PHE 13 HD1 PHE 13 11.044 -17.565 -17.565 96 HD2 PHE 13 HD2 PHE 13 11.895 -15.932 -15.932 97 HE1 PHE 13 HE1 PHE 13 13.479 -17.658 -17.658 98 HE2 PHE 13 HE2 PHE 13 14.329 -16.029 -16.029 99 HZ PHE 13 HZ PHE 13 15.124 -16.892 -16.892 100 H CYS 14 H CYS 14 10.838 -14.238 -14.238 101 HA CYS 14 HA CYS 14 11.018 -15.852 -15.852 102 1HB CYS 14 HB2 CYS 14 11.993 -13.136 -13.136 103 2HB CYS 14 HB1 CYS 14 12.120 -13.660 -13.660 104 HG CYS 14 HG CYS 14 13.725 -14.961 -14.961 105 H PHE 15 H PHE 15 9.116 -12.960 -12.960 106 HA PHE 15 HA PHE 15 7.992 -12.687 -12.687 107 1HB PHE 15 HB2 PHE 15 7.004 -11.209 -11.209 108 2HB PHE 15 HB1 PHE 15 7.120 -10.689 -10.689 109 HD1 PHE 15 HD1 PHE 15 9.811 -10.895 -10.895 110 HD2 PHE 15 HD2 PHE 15 8.384 -9.953 -9.953 111 HE1 PHE 15 HE1 PHE 15 11.934 -9.699 -9.699 112 HE2 PHE 15 HE2 PHE 15 10.511 -8.758 -8.758 113 HZ PHE 15 HZ PHE 15 12.288 -8.630 -8.630 114 H LEU 16 H LEU 16 7.617 -14.994 -14.994 115 HA LEU 16 HA LEU 16 4.718 -14.873 -14.873 116 1HB LEU 16 HB2 LEU 16 6.774 -15.963 -15.963 117 2HB LEU 16 HB1 LEU 16 5.989 -17.376 -17.376 118 HG LEU 16 HG LEU 16 3.837 -16.570 -16.570 119 1HD1 LEU 16 HD1 LEU 16 5.553 -14.531 -14.531 120 2HD1 LEU 16 HD1 LEU 16 3.835 -14.870 -14.870 121 3HD1 LEU 16 HD1 LEU 16 4.313 -14.194 -14.194 122 1HD2 LEU 16 HD2 LEU 16 5.082 -18.312 -18.312 123 2HD2 LEU 16 HD2 LEU 16 4.266 -17.239 -17.239 124 3HD2 LEU 16 HD2 LEU 16 6.010 -17.084 -17.084 125 H GLU 17 H GLU 17 3.230 -15.880 -15.880 126 HA GLU 17 HA GLU 17 3.874 -16.723 -16.723 127 1HB GLU 17 HB2 GLU 17 1.544 -17.915 -17.915 128 2HB GLU 17 HB1 GLU 17 1.652 -17.537 -17.537 129 1HG GLU 17 HG2 GLU 17 2.047 -15.068 -15.068 130 2HG GLU 17 HG1 GLU 17 1.262 -15.693 -15.693 131 H GLU 18 H GLU 18 4.879 -18.467 -18.467 132 HA GLU 18 HA GLU 18 6.256 -20.346 -20.346 133 1HB GLU 18 HB2 GLU 18 6.422 -21.569 -21.569 134 2HB GLU 18 HB1 GLU 18 5.862 -20.003 -20.003 135 1HG GLU 18 HG2 GLU 18 4.097 -22.411 -22.411 136 2HG GLU 18 HG1 GLU 18 4.610 -21.913 -21.913 137 H ASP 19 H ASP 19 5.977 -22.359 -22.359 138 HA ASP 19 HA ASP 19 3.194 -23.379 -23.379 139 1HB ASP 19 HB2 ASP 19 4.050 -21.831 -21.831 140 2HB ASP 19 HB1 ASP 19 4.982 -23.277 -23.277 141 HA PRO 20 HA PRO 20 6.077 -26.770 -26.770 142 1HB PRO 20 HB2 PRO 20 4.127 -28.300 -28.300 143 2HB PRO 20 HB1 PRO 20 5.211 -27.140 -27.140 144 1HG PRO 20 HG2 PRO 20 2.340 -26.930 -26.930 145 2HG PRO 20 HG1 PRO 20 3.335 -25.997 -25.997 146 1HD PRO 20 HD2 PRO 20 2.366 -25.155 -25.155 147 2HD PRO 20 HD1 PRO 20 3.447 -24.278 -24.278 148 H GLY 21 H GLY 21 2.892 -26.680 -26.680 149 1HA GLY 21 HA1 GLY 21 2.233 -27.752 -27.752 150 2HA GLY 21 HA2 GLY 21 3.776 -28.627 -28.627 151 H ILE 22 H ILE 22 0.644 -29.279 -29.279 152 HA ILE 22 HA ILE 22 -0.525 -30.607 -30.607 153 HB ILE 22 HB ILE 22 0.076 -32.709 -32.709 154 1HG1 ILE 22 HG1 ILE 22 -0.596 -30.050 -30.050 155 2HG1 ILE 22 HG1 ILE 22 1.007 -30.811 -30.811 156 1HG2 ILE 22 HG2 ILE 22 -2.350 -30.903 -30.903 157 2HG2 ILE 22 HG2 ILE 22 -2.315 -32.394 -32.394 158 3HG2 ILE 22 HG2 ILE 22 -2.067 -32.475 -32.475 159 1HD1 ILE 22 HD1 ILE 22 -1.577 -32.033 -32.033 160 2HD1 ILE 22 HD1 ILE 22 -0.267 -31.303 -31.303 161 3HD1 ILE 22 HD1 ILE 22 0.026 -32.794 -32.794 162 H CYS 23 H CYS 23 2.150 -32.577 -32.577 163 HA CYS 23 HA CYS 23 2.515 -34.517 -34.517 164 1HB CYS 23 HB2 CYS 23 5.117 -33.579 -33.579 165 2HB CYS 23 HB1 CYS 23 4.341 -34.672 -34.672 166 HG CYS 23 HG CYS 23 4.430 -31.221 -31.221 167 H ARG 24 H ARG 24 3.190 -34.976 -34.976 168 HA ARG 24 HA ARG 24 3.388 -32.572 -32.572 169 1HB ARG 24 HB2 ARG 24 2.833 -34.404 -34.404 170 2HB ARG 24 HB1 ARG 24 1.528 -33.739 -33.739 171 1HG ARG 24 HG2 ARG 24 1.400 -36.212 -36.212 172 2HG ARG 24 HG1 ARG 24 1.691 -35.680 -35.680 173 1HD ARG 24 HD2 ARG 24 4.090 -36.194 -36.194 174 2HD ARG 24 HD1 ARG 24 3.854 -36.615 -36.615 175 HE ARG 24 HE ARG 24 3.269 -38.245 -38.245 176 1HH1 ARG 24 HH1 ARG 24 2.408 -37.609 -37.609 177 2HH1 ARG 24 HH1 ARG 24 1.761 -39.224 -39.224 178 1HH2 ARG 24 HH2 ARG 24 2.416 -40.395 -40.395 179 2HH2 ARG 24 HH2 ARG 24 1.765 -40.816 -40.816 180 H GLY 25 H GLY 25 5.533 -34.037 -34.037 181 1HA GLY 25 HA1 GLY 25 7.160 -35.522 -35.522 182 2HA GLY 25 HA2 GLY 25 7.677 -34.837 -34.837 183 H TYR 26 H TYR 26 6.577 -33.652 -33.652 184 HA TYR 26 HA TYR 26 7.799 -31.158 -31.158 185 1HB TYR 26 HB1 TYR 26 7.627 -33.052 -33.052 186 2HB TYR 26 HB2 TYR 26 7.989 -31.338 -31.338 187 HD1 TYR 26 HD2 TYR 26 5.812 -31.128 -31.128 188 HD2 TYR 26 HD1 TYR 26 5.766 -32.298 -32.298 189 HE1 TYR 26 HE2 TYR 26 3.395 -30.583 -30.583 190 HE2 TYR 26 HE1 TYR 26 3.351 -31.752 -31.752 191 HH TYR 26 HH TYR 26 1.510 -30.516 -30.516 192 H ILE 27 H ILE 27 9.860 -30.292 -30.292 193 HA ILE 27 HA ILE 27 12.020 -32.217 -32.217 194 HB ILE 27 HB ILE 27 12.262 -30.319 -30.319 195 1HG1 ILE 27 HG1 ILE 27 10.940 -33.022 -33.022 196 2HG1 ILE 27 HG1 ILE 27 10.460 -31.543 -31.543 197 1HG2 ILE 27 HG2 ILE 27 13.726 -32.886 -32.886 198 2HG2 ILE 27 HG2 ILE 27 14.016 -31.924 -31.924 199 3HG2 ILE 27 HG2 ILE 27 14.351 -31.230 -31.230 200 1HD1 ILE 27 HD1 ILE 27 12.866 -33.305 -33.305 201 2HD1 ILE 27 HD1 ILE 27 11.316 -33.255 -33.255 202 3HD1 ILE 27 HD1 ILE 27 12.384 -31.837 -31.837 203 H THR 28 H THR 28 10.545 -29.869 -29.869 204 HA THR 28 HA THR 28 11.040 -27.890 -27.890 205 HB THR 28 HB THR 28 13.329 -29.802 -29.802 206 HG1 THR 28 HG1 THR 28 11.163 -30.084 -30.084 207 1HG2 THR 28 HG2 THR 28 12.962 -26.893 -26.893 208 2HG2 THR 28 HG2 THR 28 13.360 -28.042 -28.042 209 3HG2 THR 28 HG2 THR 28 14.475 -27.837 -27.837 210 H ARG 29 H ARG 29 11.223 -27.275 -27.275 211 HA ARG 29 HA ARG 29 13.909 -26.288 -26.288 212 1HB ARG 29 HB2 ARG 29 11.231 -26.068 -26.068 213 2HB ARG 29 HB1 ARG 29 12.738 -25.358 -25.358 214 1HG ARG 29 HG2 ARG 29 12.325 -28.314 -28.314 215 2HG ARG 29 HG1 ARG 29 12.203 -27.606 -27.606 216 1HD ARG 29 HD2 ARG 29 14.578 -26.829 -26.829 217 2HD ARG 29 HD1 ARG 29 14.674 -27.609 -27.609 218 HE ARG 29 HE ARG 29 13.798 -29.332 -29.332 219 1HH1 ARG 29 HH1 ARG 29 16.486 -28.146 -28.146 220 2HH1 ARG 29 HH1 ARG 29 17.561 -29.499 -29.499 221 1HH2 ARG 29 HH2 ARG 29 15.207 -31.137 -31.137 222 2HH2 ARG 29 HH2 ARG 29 16.830 -31.207 -31.207 223 H TYR 30 H TYR 30 13.644 -23.847 -23.847 224 HA TYR 30 HA TYR 30 12.277 -22.228 -22.228 225 1HB TYR 30 HB1 TYR 30 15.057 -21.721 -21.721 226 2HB TYR 30 HB2 TYR 30 14.215 -20.658 -20.658 227 HD1 TYR 30 HD1 TYR 30 15.267 -24.298 -24.298 228 HD2 TYR 30 HD2 TYR 30 14.740 -20.758 -20.758 229 HE1 TYR 30 HE1 TYR 30 16.227 -25.491 -25.491 230 HE2 TYR 30 HE2 TYR 30 15.700 -21.953 -21.953 231 HH TYR 30 HH TYR 30 16.888 -25.336 -25.336 232 H PHE 31 H PHE 31 11.644 -20.048 -20.048 233 HA PHE 31 HA PHE 31 11.718 -19.484 -19.484 234 1HB PHE 31 HB2 PHE 31 9.452 -19.626 -19.626 235 2HB PHE 31 HB1 PHE 31 9.754 -21.064 -21.064 236 HD1 PHE 31 HD2 PHE 31 9.245 -21.024 -21.024 237 HD2 PHE 31 HD1 PHE 31 7.839 -17.991 -17.991 238 HE1 PHE 31 HE2 PHE 31 7.502 -20.345 -20.345 239 HE2 PHE 31 HE1 PHE 31 6.100 -17.319 -17.319 240 HZ PHE 31 HZ PHE 31 5.927 -18.494 -18.494 241 H TYR 32 H TYR 32 11.334 -17.266 -17.266 242 HA TYR 32 HA TYR 32 11.675 -15.586 -15.586 243 1HB TYR 32 HB1 TYR 32 12.830 -15.323 -15.323 244 2HB TYR 32 HB2 TYR 32 11.309 -14.617 -14.617 245 HD1 TYR 32 HD1 TYR 32 14.228 -14.120 -14.120 246 HD2 TYR 32 HD2 TYR 32 10.596 -12.401 -12.401 247 HE1 TYR 32 HE1 TYR 32 14.898 -11.897 -11.897 248 HE2 TYR 32 HE2 TYR 32 11.268 -10.177 -10.177 249 HH TYR 32 HH TYR 32 14.358 -9.367 -9.367 250 H ASN 33 H ASN 33 9.988 -14.928 -14.928 251 HA ASN 33 HA ASN 33 7.320 -14.793 -14.793 252 1HB ASN 33 HB2 ASN 33 7.380 -16.092 -16.092 253 2HB ASN 33 HB1 ASN 33 8.224 -14.779 -14.779 254 1HD2 ASN 33 HD2 ASN 33 4.870 -14.308 -14.308 255 2HD2 ASN 33 HD2 ASN 33 6.359 -15.225 -15.225 256 H ASN 34 H ASN 34 6.522 -12.859 -12.859 257 HA ASN 34 HA ASN 34 7.936 -10.417 -10.417 258 1HB ASN 34 HB2 ASN 34 6.555 -10.549 -10.549 259 2HB ASN 34 HB1 ASN 34 5.140 -11.053 -11.053 260 1HD2 ASN 34 HD2 ASN 34 6.974 -8.494 -8.494 261 2HD2 ASN 34 HD2 ASN 34 6.083 -7.127 -7.127 262 H GLN 35 H GLN 35 5.204 -12.099 -12.099 263 HA GLN 35 HA GLN 35 4.280 -9.916 -9.916 264 1HB GLN 35 HB2 GLN 35 3.691 -12.680 -12.680 265 2HB GLN 35 HB1 GLN 35 4.042 -12.395 -12.395 266 1HG GLN 35 HG2 GLN 35 1.959 -11.044 -11.044 267 2HG GLN 35 HG1 GLN 35 1.691 -12.008 -12.008 268 1HE2 GLN 35 HE2 GLN 35 2.376 -9.425 -9.425 269 2HE2 GLN 35 HE2 GLN 35 2.220 -11.162 -11.162 270 H THR 36 H THR 36 7.206 -11.768 -11.768 271 HA THR 36 HA THR 36 7.824 -10.521 -10.521 272 HB THR 36 HB THR 36 8.283 -13.392 -13.392 273 HG1 THR 36 HG1 THR 36 6.476 -12.970 -12.970 274 1HG2 THR 36 HG2 THR 36 9.873 -11.646 -11.646 275 2HG2 THR 36 HG2 THR 36 9.423 -13.270 -13.270 276 3HG2 THR 36 HG2 THR 36 10.420 -13.088 -13.088 277 H LYS 37 H LYS 37 8.283 -10.184 -10.184 278 HA LYS 37 HA LYS 37 10.066 -9.744 -9.744 279 1HB LYS 37 HB2 LYS 37 10.548 -7.898 -7.898 280 2HB LYS 37 HB1 LYS 37 11.259 -7.692 -7.692 281 1HG LYS 37 HG2 LYS 37 9.395 -6.543 -6.543 282 2HG LYS 37 HG1 LYS 37 8.508 -8.077 -8.077 283 1HD LYS 37 HD2 LYS 37 7.352 -6.520 -6.520 284 2HD LYS 37 HD1 LYS 37 8.237 -7.617 -7.617 285 1HE LYS 37 HE2 LYS 37 9.986 -5.953 -5.953 286 2HE LYS 37 HE1 LYS 37 9.283 -4.900 -4.900 287 1HZ LYS 37 HZ1 LYS 37 7.995 -5.669 -5.669 288 2HZ LYS 37 HZ3 LYS 37 8.704 -4.195 -4.195 289 3HZ LYS 37 HZ2 LYS 37 7.336 -4.670 -4.670 290 H GLN 38 H GLN 38 10.610 -12.149 -12.149 291 HA GLN 38 HA GLN 38 13.503 -12.101 -12.101 292 1HB GLN 38 HB2 GLN 38 12.250 -11.872 -11.872 293 2HB GLN 38 HB1 GLN 38 12.825 -13.547 -13.547 294 1HG GLN 38 HG2 GLN 38 15.024 -12.916 -12.916 295 2HG GLN 38 HG1 GLN 38 14.732 -11.484 -11.484 296 1HE2 GLN 38 HE2 GLN 38 15.187 -11.216 -11.216 297 2HE2 GLN 38 HE2 GLN 38 15.518 -12.643 -12.643 298 H CYS 39 H CYS 39 13.857 -14.697 -14.697 299 HA CYS 39 HA CYS 39 12.305 -16.325 -16.325 300 1HB CYS 39 HB2 CYS 39 15.104 -16.589 -16.589 301 2HB CYS 39 HB1 CYS 39 14.247 -17.965 -17.965 302 HG CYS 39 HG CYS 39 15.552 -15.186 -15.186 303 H GLU 40 H GLU 40 10.906 -17.807 -17.807 304 HA GLU 40 HA GLU 40 11.195 -18.436 -18.436 305 1HB GLU 40 HB2 GLU 40 8.939 -17.531 -17.531 306 2HB GLU 40 HB1 GLU 40 8.599 -19.167 -19.167 307 1HG GLU 40 HG2 GLU 40 9.874 -17.490 -17.490 308 2HG GLU 40 HG1 GLU 40 8.374 -16.760 -16.760 309 H ARG 41 H ARG 41 11.029 -20.611 -20.611 310 HA ARG 41 HA ARG 41 11.868 -22.538 -22.538 311 1HB ARG 41 HB2 ARG 41 11.852 -22.333 -22.333 312 2HB ARG 41 HB1 ARG 41 11.037 -23.841 -23.841 313 1HG ARG 41 HG2 ARG 41 12.957 -24.749 -24.749 314 2HG ARG 41 HG1 ARG 41 13.583 -23.171 -23.171 315 1HD ARG 41 HD2 ARG 41 14.754 -24.451 -24.451 316 2HD ARG 41 HD1 ARG 41 14.489 -22.701 -22.701 317 HE ARG 41 HE ARG 41 12.950 -23.071 -23.071 318 1HH1 ARG 41 HH1 ARG 41 13.625 -26.089 -26.089 319 2HH1 ARG 41 HH1 ARG 41 12.747 -27.118 -27.118 320 1HH2 ARG 41 HH2 ARG 41 11.778 -24.416 -24.416 321 2HH2 ARG 41 HH2 ARG 41 11.692 -26.162 -26.162 322 H PHE 42 H PHE 42 10.548 -23.644 -23.644 323 HA PHE 42 HA PHE 42 7.814 -24.413 -24.413 324 1HB PHE 42 HB2 PHE 42 6.726 -23.461 -23.461 325 2HB PHE 42 HB1 PHE 42 8.016 -22.285 -22.285 326 HD1 PHE 42 HD2 PHE 42 10.283 -22.902 -22.902 327 HD2 PHE 42 HD1 PHE 42 6.280 -24.190 -24.190 328 HE1 PHE 42 HE2 PHE 42 10.978 -23.229 -23.229 329 HE2 PHE 42 HE1 PHE 42 6.983 -24.514 -24.514 330 HZ PHE 42 HZ PHE 42 9.331 -24.034 -24.034 331 H LYS 43 H LYS 43 7.114 -26.425 -26.425 332 HA LYS 43 HA LYS 43 9.213 -28.150 -28.150 333 1HB LYS 43 HB2 LYS 43 7.188 -29.829 -29.829 334 2HB LYS 43 HB1 LYS 43 7.947 -29.260 -29.260 335 1HG LYS 43 HG2 LYS 43 5.727 -27.583 -27.583 336 2HG LYS 43 HG1 LYS 43 5.264 -29.181 -29.181 337 1HD LYS 43 HD2 LYS 43 7.093 -28.044 -28.044 338 2HD LYS 43 HD1 LYS 43 5.931 -26.770 -26.770 339 1HE LYS 43 HE2 LYS 43 4.081 -28.077 -28.077 340 2HE LYS 43 HE1 LYS 43 5.022 -29.581 -29.581 341 1HZ LYS 43 HZ1 LYS 43 5.440 -27.318 -27.318 342 2HZ LYS 43 HZ3 LYS 43 4.700 -28.769 -28.769 343 3HZ LYS 43 HZ2 LYS 43 6.316 -28.729 -28.729 344 H TYR 44 H TYR 44 9.633 -28.719 -28.719 345 HA TYR 44 HA TYR 44 7.786 -27.569 -27.569 346 1HB TYR 44 HB1 TYR 44 10.094 -27.075 -27.075 347 2HB TYR 44 HB2 TYR 44 10.594 -28.726 -28.726 348 HD1 TYR 44 HD2 TYR 44 7.581 -28.274 -28.274 349 HD2 TYR 44 HD1 TYR 44 11.881 -28.713 -28.713 350 HE1 TYR 44 HE2 TYR 44 7.469 -28.819 -28.819 351 HE2 TYR 44 HE1 TYR 44 11.767 -29.257 -29.257 352 HH TYR 44 HH TYR 44 9.457 -28.605 -28.605 353 H GLY 45 H GLY 45 6.156 -28.740 -28.740 354 1HA GLY 45 HA1 GLY 45 5.586 -31.400 -31.400 355 2HA GLY 45 HA2 GLY 45 5.006 -30.560 -30.560 356 H GLY 46 H GLY 46 6.725 -30.366 -30.366 357 1HA GLY 46 HA1 GLY 46 8.997 -31.666 -31.666 358 2HA GLY 46 HA2 GLY 46 7.906 -33.061 -33.061 359 H CYS 47 H CYS 47 7.231 -33.743 -33.743 360 HA CYS 47 HA CYS 47 7.598 -32.947 -32.947 361 1HB CYS 47 HB2 CYS 47 5.114 -33.334 -33.334 362 2HB CYS 47 HB1 CYS 47 6.084 -34.649 -34.649 363 HG CYS 47 HG CYS 47 3.850 -35.085 -35.085 364 H LEU 48 H LEU 48 4.344 -31.729 -31.729 365 HA LEU 48 HA LEU 48 4.883 -29.336 -29.336 366 1HB LEU 48 HB2 LEU 48 2.591 -30.252 -30.252 367 2HB LEU 48 HB1 LEU 48 2.615 -28.663 -28.663 368 HG LEU 48 HG LEU 48 2.088 -31.335 -31.335 369 1HD1 LEU 48 HD1 LEU 48 1.458 -28.539 -28.539 370 2HD1 LEU 48 HD1 LEU 48 0.822 -30.056 -30.056 371 3HD1 LEU 48 HD1 LEU 48 0.396 -29.585 -29.585 372 1HD2 LEU 48 HD2 LEU 48 4.319 -31.071 -31.071 373 2HD2 LEU 48 HD2 LEU 48 3.073 -30.920 -30.920 374 3HD2 LEU 48 HD2 LEU 48 3.880 -29.472 -29.472 375 H GLY 49 H GLY 49 4.209 -27.084 -27.084 376 1HA GLY 49 HA1 GLY 49 4.345 -26.222 -26.222 377 2HA GLY 49 HA2 GLY 49 6.033 -26.730 -26.730 378 H ASN 50 H ASN 50 6.892 -24.595 -24.595 379 HA ASN 50 HA ASN 50 6.376 -22.994 -22.994 380 1HB ASN 50 HB2 ASN 50 6.459 -20.926 -20.926 381 2HB ASN 50 HB1 ASN 50 5.146 -21.952 -21.952 382 1HD2 ASN 50 HD2 ASN 50 6.708 -20.794 -20.794 383 2HD2 ASN 50 HD2 ASN 50 5.596 -20.295 -20.295 384 H MET 51 H MET 51 8.168 -20.952 -20.952 385 HA MET 51 HA MET 51 10.723 -22.415 -22.415 386 1HB MET 51 HB2 MET 51 10.066 -19.468 -19.468 387 2HB MET 51 HB1 MET 51 11.606 -20.261 -20.261 388 1HG MET 51 HG2 MET 51 10.797 -21.004 -21.004 389 2HG MET 51 HG1 MET 51 9.344 -21.668 -21.668 390 1HE MET 51 HE1 MET 51 7.181 -20.174 -20.174 391 2HE MET 51 HE3 MET 51 6.602 -19.279 -19.279 392 3HE MET 51 HE2 MET 51 7.160 -20.956 -20.956 393 H ASN 52 H ASN 52 8.904 -20.281 -20.281 394 HA ASN 52 HA ASN 52 11.181 -19.435 -19.435 395 1HB ASN 52 HB2 ASN 52 8.700 -18.475 -18.475 396 2HB ASN 52 HB1 ASN 52 8.379 -19.669 -19.669 397 1HD2 ASN 52 HD2 ASN 52 9.185 -17.091 -17.091 398 2HD2 ASN 52 HD2 ASN 52 7.934 -18.096 -18.096 399 H ASN 53 H ASN 53 11.903 -21.923 -21.923 400 HA ASN 53 HA ASN 53 11.170 -23.094 -23.094 401 1HB ASN 53 HB2 ASN 53 9.912 -24.533 -24.533 402 2HB ASN 53 HB1 ASN 53 11.085 -24.419 -24.419 403 1HD2 ASN 53 HD2 ASN 53 12.728 -27.346 -27.346 404 2HD2 ASN 53 HD2 ASN 53 12.222 -26.160 -26.160 405 H PHE 54 H PHE 54 13.163 -22.365 -22.365 406 HA PHE 54 HA PHE 54 15.670 -23.258 -23.258 407 1HB PHE 54 HB2 PHE 54 15.259 -21.513 -21.513 408 2HB PHE 54 HB1 PHE 54 16.770 -21.810 -21.810 409 HD1 PHE 54 HD2 PHE 54 17.233 -20.835 -20.835 410 HD2 PHE 54 HD1 PHE 54 13.609 -19.907 -19.907 411 HE1 PHE 54 HE2 PHE 54 16.838 -18.880 -18.880 412 HE2 PHE 54 HE1 PHE 54 13.224 -17.955 -17.955 413 HZ PHE 54 HZ PHE 54 14.836 -17.438 -17.438 414 H GLU 55 H GLU 55 17.389 -24.179 -24.179 415 HA GLU 55 HA GLU 55 16.105 -26.220 -26.220 416 1HB GLU 55 HB2 GLU 55 18.916 -26.091 -26.091 417 2HB GLU 55 HB1 GLU 55 18.282 -27.412 -27.412 418 1HG GLU 55 HG2 GLU 55 16.360 -27.453 -27.453 419 2HG GLU 55 HG1 GLU 55 17.562 -26.614 -26.614 420 H THR 56 H THR 56 18.603 -23.644 -23.644 421 HA THR 56 HA THR 56 18.704 -23.868 -23.868 422 HB THR 56 HB THR 56 21.067 -22.667 -22.667 423 HG1 THR 56 HG1 THR 56 20.530 -24.151 -24.151 424 1HG2 THR 56 HG2 THR 56 20.230 -25.567 -25.567 425 2HG2 THR 56 HG2 THR 56 21.857 -25.121 -25.121 426 3HG2 THR 56 HG2 THR 56 21.407 -24.865 -24.865 427 H LEU 57 H LEU 57 18.593 -21.924 -21.924 428 HA LEU 57 HA LEU 57 16.898 -19.957 -19.957 429 1HB LEU 57 HB2 LEU 57 17.190 -20.521 -20.521 430 2HB LEU 57 HB1 LEU 57 18.778 -19.729 -19.729 431 HG LEU 57 HG LEU 57 17.324 -17.708 -17.708 432 1HD1 LEU 57 HD1 LEU 57 15.321 -19.277 -19.277 433 2HD1 LEU 57 HD1 LEU 57 15.130 -17.575 -17.575 434 3HD1 LEU 57 HD1 LEU 57 15.181 -18.865 -18.865 435 1HD2 LEU 57 HD2 LEU 57 18.751 -17.625 -17.625 436 2HD2 LEU 57 HD2 LEU 57 17.181 -16.851 -16.851 437 3HD2 LEU 57 HD2 LEU 57 17.523 -18.484 -18.484 438 H GLU 58 H GLU 58 20.475 -19.874 -19.874 439 HA GLU 58 HA GLU 58 20.922 -17.289 -17.289 440 1HB GLU 58 HB2 GLU 58 22.516 -19.299 -19.299 441 2HB GLU 58 HB1 GLU 58 22.969 -19.294 -19.294 442 1HG GLU 58 HG2 GLU 58 23.425 -16.855 -16.855 443 2HG GLU 58 HG1 GLU 58 22.961 -16.874 -16.874 444 H GLU 59 H GLU 59 20.519 -20.376 -20.376 445 HA GLU 59 HA GLU 59 21.285 -19.393 -19.393 446 1HB GLU 59 HB2 GLU 59 21.118 -21.755 -21.755 447 2HB GLU 59 HB1 GLU 59 19.442 -21.646 -21.646 448 1HG GLU 59 HG2 GLU 59 18.680 -21.806 -21.806 449 2HG GLU 59 HG1 GLU 59 19.650 -20.401 -20.401 450 H CYS 60 H CYS 60 18.079 -19.560 -19.560 451 HA CYS 60 HA CYS 60 16.617 -18.463 -18.463 452 1HB CYS 60 HB2 CYS 60 15.493 -19.643 -19.643 453 2HB CYS 60 HB1 CYS 60 16.104 -18.528 -18.528 454 HG CYS 60 HG CYS 60 14.594 -16.325 -16.325 455 H LYS 61 H LYS 61 18.695 -17.053 -17.053 456 HA LYS 61 HA LYS 61 17.665 -14.372 -14.372 457 1HB LYS 61 HB2 LYS 61 20.162 -15.325 -15.325 458 2HB LYS 61 HB1 LYS 61 19.481 -13.688 -13.688 459 1HG LYS 61 HG2 LYS 61 17.338 -15.444 -15.444 460 2HG LYS 61 HG1 LYS 61 18.733 -16.084 -16.084 461 1HD LYS 61 HD2 LYS 61 18.878 -14.224 -14.224 462 2HD LYS 61 HD1 LYS 61 18.303 -13.123 -13.123 463 1HE LYS 61 HE2 LYS 61 16.361 -15.153 -15.153 464 2HE LYS 61 HE1 LYS 61 16.797 -13.815 -13.815 465 1HZ LYS 61 HZ1 LYS 61 15.766 -13.548 -13.548 466 2HZ LYS 61 HZ3 LYS 61 14.897 -13.298 -13.298 467 3HZ LYS 61 HZ2 LYS 61 16.156 -12.289 -12.289 468 H ASN 62 H ASN 62 20.655 -16.196 -16.196 469 HA ASN 62 HA ASN 62 21.981 -14.170 -14.170 470 1HB ASN 62 HB2 ASN 62 22.497 -16.788 -16.788 471 2HB ASN 62 HB1 ASN 62 21.878 -16.913 -16.913 472 1HD2 ASN 62 HD2 ASN 62 25.050 -16.223 -16.223 473 2HD2 ASN 62 HD2 ASN 62 23.607 -17.242 -17.242 474 H ILE 63 H ILE 63 19.384 -16.416 -16.416 475 HA ILE 63 HA ILE 63 19.408 -15.286 -15.286 476 HB ILE 63 HB ILE 63 17.788 -17.274 -17.274 477 1HG1 ILE 63 HG1 ILE 63 18.471 -18.358 -18.358 478 2HG1 ILE 63 HG1 ILE 63 19.807 -17.226 -17.226 479 1HG2 ILE 63 HG2 ILE 63 17.006 -16.115 -16.115 480 2HG2 ILE 63 HG2 ILE 63 16.314 -17.593 -17.593 481 3HG2 ILE 63 HG2 ILE 63 16.077 -16.020 -16.020 482 1HD1 ILE 63 HD1 ILE 63 18.843 -19.385 -19.385 483 2HD1 ILE 63 HD1 ILE 63 20.308 -19.466 -19.466 484 3HD1 ILE 63 HD1 ILE 63 20.192 -18.269 -18.269 485 H CYS 64 H CYS 64 17.095 -15.180 -15.180 486 HA CYS 64 HA CYS 64 15.574 -13.072 -13.072 487 1HB CYS 64 HB2 CYS 64 15.438 -14.120 -14.120 488 2HB CYS 64 HB1 CYS 64 14.254 -13.056 -13.056 489 HG CYS 64 HG CYS 64 14.148 -16.297 -16.297 490 H GLU 65 H GLU 65 16.690 -12.958 -12.958 491 HA GLU 65 HA GLU 65 16.932 -10.327 -10.327 492 1HB GLU 65 HB2 GLU 65 18.632 -12.595 -12.595 493 2HB GLU 65 HB1 GLU 65 19.244 -10.954 -10.954 494 1HG GLU 65 HG2 GLU 65 16.540 -10.800 -10.800 495 2HG GLU 65 HG1 GLU 65 17.032 -12.403 -12.403 496 H ASP 66 H ASP 66 19.139 -12.304 -12.304 497 HA ASP 66 HA ASP 66 20.846 -11.715 -11.715 498 1HB ASP 66 HB2 ASP 66 20.448 -9.908 -9.908 499 2HB ASP 66 HB1 ASP 66 18.841 -10.514 -10.514 500 H GLY 67 H GLY 67 21.011 -10.984 -10.984 501 1HA GLY 67 HA1 GLY 67 22.317 -9.692 -9.692 502 2HA GLY 67 HA2 GLY 67 23.534 -9.869 -9.869 503 HA PRO 68 HA PRO 68 21.226 -5.667 -5.667 504 1HB PRO 68 HB2 PRO 68 20.157 -4.702 -4.702 505 2HB PRO 68 HB1 PRO 68 19.205 -5.530 -5.530 506 1HG PRO 68 HG2 PRO 68 20.125 -6.496 -6.496 507 2HG PRO 68 HG1 PRO 68 18.851 -7.127 -7.127 508 1HD PRO 68 HD2 PRO 68 21.471 -8.207 -8.207 509 2HD PRO 68 HD1 PRO 68 20.224 -8.761 -8.761 510 H ASN 69 H ASN 69 22.589 -3.998 -3.998 511 HA ASN 69 HA ASN 69 24.427 -2.694 -2.694 512 1HB ASN 69 HB2 ASN 69 22.780 -2.201 -2.201 513 2HB ASN 69 HB1 ASN 69 24.072 -3.006 -3.006 514 1HD2 ASN 69 HD2 ASN 69 24.382 0.847 0.847 515 2HD2 ASN 69 HD2 ASN 69 22.934 -0.155 -0.155 516 H GLY 70 H GLY 70 24.675 -5.680 -5.680 517 1HA GLY 70 HA1 GLY 70 27.327 -5.832 -5.832 518 2HA GLY 70 HA2 GLY 70 26.139 -7.131 -7.131 519 H PHE 71 H PHE 71 24.991 -7.464 -7.464 520 HA PHE 71 HA PHE 71 26.853 -9.019 -9.019 521 1HB PHE 71 HB2 PHE 71 24.107 -8.336 -8.336 522 2HB PHE 71 HB1 PHE 71 24.777 -7.914 -7.914 523 HD1 PHE 71 HD2 PHE 71 26.076 -9.672 -9.672 524 HD2 PHE 71 HD1 PHE 71 23.689 -10.654 -10.654 525 HE1 PHE 71 HE2 PHE 71 26.000 -12.050 -12.050 526 HE2 PHE 71 HE1 PHE 71 23.618 -13.029 -13.029 527 HZ PHE 71 HZ PHE 71 24.771 -13.731 -13.731 Start of MODEL 16 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.575 -0.980 -0.980 3 1HB ASP 1 HB2 ASP 1 0.199 0.172 0.172 4 2HB ASP 1 HB1 ASP 1 1.373 1.401 1.401 5 H TYR 2 H TYR 2 3.531 0.994 0.994 6 HA TYR 2 HA TYR 2 4.445 3.352 3.352 7 1HB TYR 2 HB1 TYR 2 5.809 0.927 0.927 8 2HB TYR 2 HB2 TYR 2 6.936 1.979 1.979 9 HD1 TYR 2 HD1 TYR 2 5.743 4.698 4.698 10 HD2 TYR 2 HD2 TYR 2 6.593 1.164 1.164 11 HE1 TYR 2 HE1 TYR 2 6.006 6.103 6.103 12 HE2 TYR 2 HE2 TYR 2 6.856 2.571 2.571 13 HH TYR 2 HH TYR 2 5.817 5.728 5.728 14 H LYS 3 H LYS 3 5.577 0.606 0.606 15 HA LYS 3 HA LYS 3 5.509 2.242 2.242 16 1HB LYS 3 HB2 LYS 3 7.842 2.521 2.521 17 2HB LYS 3 HB1 LYS 3 7.498 3.241 3.241 18 1HG LYS 3 HG2 LYS 3 8.378 0.368 0.368 19 2HG LYS 3 HG1 LYS 3 9.598 1.615 1.615 20 1HD LYS 3 HD2 LYS 3 8.273 2.606 2.606 21 2HD LYS 3 HD1 LYS 3 8.260 0.855 0.855 22 1HE LYS 3 HE2 LYS 3 10.392 1.064 1.064 23 2HE LYS 3 HE1 LYS 3 10.862 1.428 1.428 24 1HZ LYS 3 HZ1 LYS 3 9.983 3.399 3.399 25 2HZ LYS 3 HZ3 LYS 3 11.556 3.133 3.133 26 3HZ LYS 3 HZ2 LYS 3 10.438 3.751 3.751 27 H ASP 4 H ASP 4 6.916 0.965 0.965 28 HA ASP 4 HA ASP 4 7.409 -1.066 -1.066 29 1HB ASP 4 HB2 ASP 4 7.748 -1.863 -1.863 30 2HB ASP 4 HB1 ASP 4 6.153 -2.601 -2.601 31 H ASP 5 H ASP 5 6.137 -1.859 -1.859 32 HA ASP 5 HA ASP 5 3.236 -2.231 -2.231 33 1HB ASP 5 HB2 ASP 5 3.619 -0.117 -0.117 34 2HB ASP 5 HB1 ASP 5 4.488 -1.032 -1.032 35 H ASP 6 H ASP 6 5.618 -4.085 -4.085 36 HA ASP 6 HA ASP 6 6.270 -6.026 -6.026 37 1HB ASP 6 HB2 ASP 6 4.579 -7.612 -7.612 38 2HB ASP 6 HB1 ASP 6 3.926 -6.466 -6.466 39 H ASP 7 H ASP 7 5.200 -7.503 -7.503 40 HA ASP 7 HA ASP 7 5.300 -7.613 -7.613 41 1HB ASP 7 HB2 ASP 7 4.370 -4.736 -4.736 42 2HB ASP 7 HB1 ASP 7 4.527 -5.589 -5.589 43 H LYS 8 H LYS 8 7.668 -7.819 -7.819 44 HA LYS 8 HA LYS 8 9.828 -7.077 -7.077 45 1HB LYS 8 HB2 LYS 8 8.412 -6.922 -6.922 46 2HB LYS 8 HB1 LYS 8 9.800 -5.816 -5.816 47 1HG LYS 8 HG2 LYS 8 10.018 -8.699 -8.699 48 2HG LYS 8 HG1 LYS 8 10.200 -8.260 -8.260 49 1HD LYS 8 HD2 LYS 8 11.779 -6.702 -6.702 50 2HD LYS 8 HD1 LYS 8 12.286 -8.372 -8.372 51 1HE LYS 8 HE2 LYS 8 11.695 -6.873 -6.873 52 2HE LYS 8 HE1 LYS 8 12.969 -6.103 -6.103 53 1HZ LYS 8 HZ1 LYS 8 12.915 -8.932 -8.932 54 2HZ LYS 8 HZ3 LYS 8 13.847 -7.719 -7.719 55 3HZ LYS 8 HZ2 LYS 8 14.120 -8.216 -8.216 56 H LEU 9 H LEU 9 8.501 -5.335 -5.335 57 HA LEU 9 HA LEU 9 8.473 -3.227 -3.227 58 1HB LEU 9 HB2 LEU 9 11.149 -3.379 -3.379 59 2HB LEU 9 HB1 LEU 9 10.634 -1.935 -1.935 60 HG LEU 9 HG LEU 9 10.743 -2.962 -2.962 61 1HD1 LEU 9 HD1 LEU 9 10.408 -5.672 -5.672 62 2HD1 LEU 9 HD1 LEU 9 10.603 -5.415 -5.415 63 3HD1 LEU 9 HD1 LEU 9 9.177 -4.777 -4.777 64 1HD2 LEU 9 HD2 LEU 9 13.022 -2.921 -2.921 65 2HD2 LEU 9 HD2 LEU 9 12.814 -4.347 -4.347 66 3HD2 LEU 9 HD2 LEU 9 12.799 -4.532 -4.532 67 H LYS 10 H LYS 10 9.087 -0.704 -0.704 68 HA LYS 10 HA LYS 10 8.464 1.000 1.000 69 1HB LYS 10 HB2 LYS 10 9.608 -0.853 -0.853 70 2HB LYS 10 HB1 LYS 10 8.122 -0.302 -0.302 71 1HG LYS 10 HG2 LYS 10 9.487 1.943 1.943 72 2HG LYS 10 HG1 LYS 10 10.617 1.054 1.054 73 1HD LYS 10 HD2 LYS 10 9.394 1.509 1.509 74 2HD LYS 10 HD1 LYS 10 7.859 1.643 1.643 75 1HE LYS 10 HE2 LYS 10 8.900 3.821 3.821 76 2HE LYS 10 HE1 LYS 10 8.358 3.849 3.849 77 1HZ LYS 10 HZ1 LYS 10 11.127 3.385 3.385 78 2HZ LYS 10 HZ3 LYS 10 10.534 4.800 4.800 79 3HZ LYS 10 HZ2 LYS 10 10.632 3.425 3.425 80 HA PRO 11 HA PRO 11 4.101 0.659 0.659 81 1HB PRO 11 HB2 PRO 11 3.507 3.100 3.100 82 2HB PRO 11 HB1 PRO 11 3.924 2.957 2.957 83 1HG PRO 11 HG2 PRO 11 5.520 3.981 3.981 84 2HG PRO 11 HG1 PRO 11 5.738 4.208 4.208 85 1HD PRO 11 HD2 PRO 11 7.233 2.484 2.484 86 2HD PRO 11 HD1 PRO 11 7.366 2.645 2.645 87 H ASP 12 H ASP 12 3.412 -1.009 -1.009 88 HA ASP 12 HA ASP 12 3.759 -1.196 -1.196 89 1HB ASP 12 HB2 ASP 12 3.030 -2.964 -2.964 90 2HB ASP 12 HB1 ASP 12 1.395 -2.332 -2.332 91 H PHE 13 H PHE 13 1.288 0.363 0.363 92 HA PHE 13 HA PHE 13 -0.824 0.730 0.730 93 1HB PHE 13 HB2 PHE 13 -1.533 2.470 2.470 94 2HB PHE 13 HB1 PHE 13 -0.732 1.317 1.317 95 HD1 PHE 13 HD1 PHE 13 0.092 4.457 4.457 96 HD2 PHE 13 HD2 PHE 13 0.812 2.069 2.069 97 HE1 PHE 13 HE1 PHE 13 1.575 6.233 6.233 98 HE2 PHE 13 HE2 PHE 13 2.293 3.852 3.852 99 HZ PHE 13 HZ PHE 13 2.676 5.935 5.935 100 H CYS 14 H CYS 14 2.391 2.263 2.263 101 HA CYS 14 HA CYS 14 1.794 4.485 4.485 102 1HB CYS 14 HB2 CYS 14 4.332 3.046 3.046 103 2HB CYS 14 HB1 CYS 14 4.327 4.396 4.396 104 HG CYS 14 HG CYS 14 5.123 5.652 5.652 105 H PHE 15 H PHE 15 2.912 1.138 1.138 106 HA PHE 15 HA PHE 15 3.204 1.574 1.574 107 1HB PHE 15 HB2 PHE 15 2.901 -1.090 -1.090 108 2HB PHE 15 HB1 PHE 15 3.808 -0.674 -0.674 109 HD1 PHE 15 HD1 PHE 15 5.554 1.529 1.529 110 HD2 PHE 15 HD2 PHE 15 4.374 -1.860 -1.860 111 HE1 PHE 15 HE1 PHE 15 7.641 1.743 1.743 112 HE2 PHE 15 HE2 PHE 15 6.465 -1.638 -1.638 113 HZ PHE 15 HZ PHE 15 8.101 0.162 0.162 114 H LEU 16 H LEU 16 0.541 1.470 1.470 115 HA LEU 16 HA LEU 16 -1.155 -0.188 -0.188 116 1HB LEU 16 HB2 LEU 16 -1.196 0.788 0.788 117 2HB LEU 16 HB1 LEU 16 -2.537 1.624 1.624 118 HG LEU 16 HG LEU 16 -2.647 -1.095 -1.095 119 1HD1 LEU 16 HD1 LEU 16 -2.326 -0.760 -0.760 120 2HD1 LEU 16 HD1 LEU 16 -2.935 -2.229 -2.229 121 3HD1 LEU 16 HD1 LEU 16 -1.270 -1.681 -1.681 122 1HD2 LEU 16 HD2 LEU 16 -4.590 0.395 0.395 123 2HD2 LEU 16 HD2 LEU 16 -4.847 -1.046 -1.046 124 3HD2 LEU 16 HD2 LEU 16 -4.400 0.505 0.505 125 H GLU 17 H GLU 17 -2.670 0.442 0.442 126 HA GLU 17 HA GLU 17 -2.108 2.660 2.660 127 1HB GLU 17 HB2 GLU 17 -4.636 2.387 2.387 128 2HB GLU 17 HB1 GLU 17 -3.451 1.119 1.119 129 1HG GLU 17 HG2 GLU 17 -4.741 0.887 0.887 130 2HG GLU 17 HG1 GLU 17 -5.853 0.716 0.716 131 H GLU 18 H GLU 18 -4.084 4.371 4.371 132 HA GLU 18 HA GLU 18 -4.253 5.878 5.878 133 1HB GLU 18 HB2 GLU 18 -4.458 7.805 7.805 134 2HB GLU 18 HB1 GLU 18 -3.493 6.790 6.790 135 1HG GLU 18 HG2 GLU 18 -5.997 6.042 6.042 136 2HG GLU 18 HG1 GLU 18 -6.335 7.697 7.697 137 H ASP 19 H ASP 19 -6.231 6.668 6.668 138 HA ASP 19 HA ASP 19 -8.706 5.503 5.503 139 1HB ASP 19 HB2 ASP 19 -7.636 4.284 4.284 140 2HB ASP 19 HB1 ASP 19 -8.293 5.674 5.674 141 HA PRO 20 HA PRO 20 -9.535 9.824 9.824 142 1HB PRO 20 HB2 PRO 20 -11.410 10.062 10.062 143 2HB PRO 20 HB1 PRO 20 -9.667 10.343 10.343 144 1HG PRO 20 HG2 PRO 20 -11.319 8.083 8.083 145 2HG PRO 20 HG1 PRO 20 -9.699 8.588 8.588 146 1HD PRO 20 HD2 PRO 20 -10.369 6.398 6.398 147 2HD PRO 20 HD1 PRO 20 -8.753 6.981 6.981 148 H GLY 21 H GLY 21 -11.115 7.077 7.077 149 1HA GLY 21 HA1 GLY 21 -12.876 6.680 6.680 150 2HA GLY 21 HA2 GLY 21 -13.083 8.432 8.432 151 H ILE 22 H ILE 22 -15.433 8.059 8.059 152 HA ILE 22 HA ILE 22 -16.355 7.364 7.364 153 HB ILE 22 HB ILE 22 -18.090 7.549 7.549 154 1HG1 ILE 22 HG1 ILE 22 -16.164 5.370 5.370 155 2HG1 ILE 22 HG1 ILE 22 -16.590 6.005 6.005 156 1HG2 ILE 22 HG2 ILE 22 -18.306 5.978 5.978 157 2HG2 ILE 22 HG2 ILE 22 -19.466 5.889 5.889 158 3HG2 ILE 22 HG2 ILE 22 -19.250 7.408 7.408 159 1HD1 ILE 22 HD1 ILE 22 -18.385 4.273 4.273 160 2HD1 ILE 22 HD1 ILE 22 -17.487 3.722 3.722 161 3HD1 ILE 22 HD1 ILE 22 -18.813 4.889 4.889 162 H CYS 23 H CYS 23 -16.399 9.820 9.820 163 HA CYS 23 HA CYS 23 -18.339 11.527 11.527 164 1HB CYS 23 HB2 CYS 23 -15.968 12.701 12.701 165 2HB CYS 23 HB1 CYS 23 -17.693 13.078 13.078 166 HG CYS 23 HG CYS 23 -18.105 11.576 11.576 167 H ARG 24 H ARG 24 -16.720 14.025 14.025 168 HA ARG 24 HA ARG 24 -14.896 13.646 13.646 169 1HB ARG 24 HB2 ARG 24 -16.285 15.225 15.225 170 2HB ARG 24 HB1 ARG 24 -16.823 13.536 13.536 171 1HG ARG 24 HG2 ARG 24 -18.113 14.844 14.844 172 2HG ARG 24 HG1 ARG 24 -18.199 15.995 15.995 173 1HD ARG 24 HD2 ARG 24 -19.179 14.217 14.217 174 2HD ARG 24 HD1 ARG 24 -19.069 13.066 13.066 175 HE ARG 24 HE ARG 24 -20.503 15.484 15.484 176 1HH1 ARG 24 HH1 ARG 24 -20.792 12.390 12.390 177 2HH1 ARG 24 HH1 ARG 24 -22.539 12.250 12.250 178 1HH2 ARG 24 HH2 ARG 24 -22.821 15.321 15.321 179 2HH2 ARG 24 HH2 ARG 24 -23.698 13.925 13.925 180 H GLY 25 H GLY 25 -14.632 16.130 16.130 181 1HA GLY 25 HA1 GLY 25 -14.790 18.497 18.497 182 2HA GLY 25 HA2 GLY 25 -14.272 17.851 17.851 183 H TYR 26 H TYR 26 -12.405 15.846 15.846 184 HA TYR 26 HA TYR 26 -10.184 15.775 15.775 185 1HB TYR 26 HB1 TYR 26 -11.007 18.191 18.191 186 2HB TYR 26 HB2 TYR 26 -9.461 17.372 17.372 187 HD1 TYR 26 HD2 TYR 26 -11.642 14.772 14.772 188 HD2 TYR 26 HD1 TYR 26 -10.695 17.476 17.476 189 HE1 TYR 26 HE2 TYR 26 -12.599 13.161 13.161 190 HE2 TYR 26 HE1 TYR 26 -11.652 15.866 15.866 191 HH TYR 26 HH TYR 26 -13.290 13.918 13.918 192 H ILE 27 H ILE 27 -8.638 16.180 16.180 193 HA ILE 27 HA ILE 27 -8.465 18.974 18.974 194 HB ILE 27 HB ILE 27 -7.653 16.534 16.534 195 1HG1 ILE 27 HG1 ILE 27 -9.998 17.501 17.501 196 2HG1 ILE 27 HG1 ILE 27 -10.336 17.554 17.554 197 1HG2 ILE 27 HG2 ILE 27 -8.213 19.399 19.399 198 2HG2 ILE 27 HG2 ILE 27 -7.845 18.045 18.045 199 3HG2 ILE 27 HG2 ILE 27 -6.631 18.596 18.596 200 1HD1 ILE 27 HD1 ILE 27 -9.304 15.124 15.124 201 2HD1 ILE 27 HD1 ILE 27 -10.976 15.371 15.371 202 3HD1 ILE 27 HD1 ILE 27 -9.655 15.162 15.162 203 H THR 28 H THR 28 -7.163 17.435 17.435 204 HA THR 28 HA THR 28 -5.050 17.033 17.033 205 HB THR 28 HB THR 28 -4.903 19.833 19.833 206 HG1 THR 28 HG1 THR 28 -5.239 20.173 20.173 207 1HG2 THR 28 HG2 THR 28 -2.898 18.195 18.195 208 2HG2 THR 28 HG2 THR 28 -3.185 19.868 19.868 209 3HG2 THR 28 HG2 THR 28 -2.584 19.551 19.551 210 H ARG 29 H ARG 29 -5.125 15.283 15.283 211 HA ARG 29 HA ARG 29 -3.002 15.851 15.851 212 1HB ARG 29 HB2 ARG 29 -4.967 13.568 13.568 213 2HB ARG 29 HB1 ARG 29 -3.598 13.435 13.435 214 1HG ARG 29 HG2 ARG 29 -4.990 15.957 15.957 215 2HG ARG 29 HG1 ARG 29 -6.144 14.610 14.610 216 1HD ARG 29 HD2 ARG 29 -4.219 13.539 13.539 217 2HD ARG 29 HD1 ARG 29 -3.790 15.244 15.244 218 HE ARG 29 HE ARG 29 -6.065 13.814 13.814 219 1HH1 ARG 29 HH1 ARG 29 -4.993 16.969 16.969 220 2HH1 ARG 29 HH1 ARG 29 -6.153 17.900 17.900 221 1HH2 ARG 29 HH2 ARG 29 -7.615 15.028 15.028 222 2HH2 ARG 29 HH2 ARG 29 -7.651 16.791 16.791 223 H TYR 30 H TYR 30 -1.536 13.698 13.698 224 HA TYR 30 HA TYR 30 -0.630 12.891 12.891 225 1HB TYR 30 HB1 TYR 30 1.147 13.560 13.560 226 2HB TYR 30 HB2 TYR 30 1.706 13.019 13.019 227 HD1 TYR 30 HD1 TYR 30 -0.466 15.795 15.795 228 HD2 TYR 30 HD2 TYR 30 2.505 14.598 14.598 229 HE1 TYR 30 HE1 TYR 30 -0.320 18.132 18.132 230 HE2 TYR 30 HE2 TYR 30 2.650 16.937 16.937 231 HH TYR 30 HH TYR 30 0.691 19.594 19.594 232 H PHE 31 H PHE 31 0.493 10.795 10.795 233 HA PHE 31 HA PHE 31 0.243 8.999 8.999 234 1HB PHE 31 HB2 PHE 31 -1.386 7.598 7.598 235 2HB PHE 31 HB1 PHE 31 -2.033 9.176 9.176 236 HD1 PHE 31 HD2 PHE 31 -1.677 10.083 10.083 237 HD2 PHE 31 HD1 PHE 31 -1.043 5.948 5.948 238 HE1 PHE 31 HE2 PHE 31 -1.872 9.416 9.416 239 HE2 PHE 31 HE1 PHE 31 -1.239 5.290 5.290 240 HZ PHE 31 HZ PHE 31 -1.655 7.021 7.021 241 H TYR 32 H TYR 32 1.821 7.428 7.428 242 HA TYR 32 HA TYR 32 3.695 7.626 7.626 243 1HB TYR 32 HB1 TYR 32 4.161 7.056 7.056 244 2HB TYR 32 HB2 TYR 32 3.621 5.433 5.433 245 HD1 TYR 32 HD1 TYR 32 6.254 7.980 7.980 246 HD2 TYR 32 HD2 TYR 32 5.001 3.859 3.859 247 HE1 TYR 32 HE1 TYR 32 8.514 7.367 7.367 248 HE2 TYR 32 HE2 TYR 32 7.263 3.247 3.247 249 HH TYR 32 HH TYR 32 9.880 5.673 5.673 250 H ASN 33 H ASN 33 3.123 6.902 6.902 251 HA ASN 33 HA ASN 33 1.409 4.501 4.501 252 1HB ASN 33 HB2 ASN 33 1.153 6.649 6.649 253 2HB ASN 33 HB1 ASN 33 2.625 6.117 6.117 254 1HD2 ASN 33 HD2 ASN 33 -0.077 6.484 6.484 255 2HD2 ASN 33 HD2 ASN 33 -0.612 4.930 4.930 256 H ASN 34 H ASN 34 2.325 2.522 2.522 257 HA ASN 34 HA ASN 34 5.126 2.101 2.101 258 1HB ASN 34 HB2 ASN 34 3.758 0.404 0.404 259 2HB ASN 34 HB1 ASN 34 2.719 0.263 0.263 260 1HD2 ASN 34 HD2 ASN 34 4.638 -2.647 -2.647 261 2HD2 ASN 34 HD2 ASN 34 3.135 -1.983 -1.983 262 H GLN 35 H GLN 35 2.450 2.299 2.299 263 HA GLN 35 HA GLN 35 3.604 1.011 1.011 264 1HB GLN 35 HB2 GLN 35 1.312 2.455 2.455 265 2HB GLN 35 HB1 GLN 35 2.219 3.548 3.548 266 1HG GLN 35 HG2 GLN 35 2.421 1.839 1.839 267 2HG GLN 35 HG1 GLN 35 1.821 0.587 0.587 268 1HE2 GLN 35 HE2 GLN 35 -0.798 3.462 3.462 269 2HE2 GLN 35 HE2 GLN 35 0.898 3.829 3.829 270 H THR 36 H THR 36 4.379 4.128 4.128 271 HA THR 36 HA THR 36 6.556 4.447 4.447 272 HB THR 36 HB THR 36 6.152 6.900 6.900 273 HG1 THR 36 HG1 THR 36 4.250 6.093 6.093 274 1HG2 THR 36 HG2 THR 36 3.785 5.047 5.047 275 2HG2 THR 36 HG2 THR 36 3.458 6.789 6.789 276 3HG2 THR 36 HG2 THR 36 4.529 6.165 6.165 277 H LYS 37 H LYS 37 6.167 3.240 3.240 278 HA LYS 37 HA LYS 37 7.083 3.512 3.512 279 1HB LYS 37 HB2 LYS 37 9.423 3.455 3.455 280 2HB LYS 37 HB1 LYS 37 9.588 3.235 3.235 281 1HG LYS 37 HG2 LYS 37 9.074 1.055 1.055 282 2HG LYS 37 HG1 LYS 37 7.464 1.535 1.535 283 1HD LYS 37 HD2 LYS 37 8.484 0.136 0.136 284 2HD LYS 37 HD1 LYS 37 8.462 1.802 1.802 285 1HE LYS 37 HE2 LYS 37 10.885 1.829 1.829 286 2HE LYS 37 HE1 LYS 37 10.773 0.088 0.088 287 1HZ LYS 37 HZ1 LYS 37 10.443 2.249 2.249 288 2HZ LYS 37 HZ3 LYS 37 11.792 1.280 1.280 289 3HZ LYS 37 HZ2 LYS 37 10.353 0.621 0.621 290 H GLN 38 H GLN 38 6.034 5.976 5.976 291 HA GLN 38 HA GLN 38 7.790 7.705 7.705 292 1HB GLN 38 HB2 GLN 38 8.863 8.548 8.548 293 2HB GLN 38 HB1 GLN 38 7.622 7.973 7.973 294 1HG GLN 38 HG2 GLN 38 6.139 9.843 9.843 295 2HG GLN 38 HG1 GLN 38 7.414 10.412 10.412 296 1HE2 GLN 38 HE2 GLN 38 9.671 11.290 11.290 297 2HE2 GLN 38 HE2 GLN 38 9.671 10.347 10.347 298 H CYS 39 H CYS 39 6.687 9.781 9.781 299 HA CYS 39 HA CYS 39 3.929 9.269 9.269 300 1HB CYS 39 HB2 CYS 39 5.645 11.731 11.731 301 2HB CYS 39 HB1 CYS 39 3.947 11.657 11.657 302 HG CYS 39 HG CYS 39 4.856 9.167 9.167 303 H GLU 40 H GLU 40 2.098 9.795 9.795 304 HA GLU 40 HA GLU 40 2.489 11.532 11.532 305 1HB GLU 40 HB2 GLU 40 0.499 9.250 9.250 306 2HB GLU 40 HB1 GLU 40 0.758 10.251 10.251 307 1HG GLU 40 HG2 GLU 40 3.280 9.403 9.403 308 2HG GLU 40 HG1 GLU 40 2.466 8.070 8.070 309 H ARG 41 H ARG 41 1.121 13.270 13.270 310 HA ARG 41 HA ARG 41 -0.477 14.010 14.010 311 1HB ARG 41 HB2 ARG 41 0.641 15.321 15.321 312 2HB ARG 41 HB1 ARG 41 -1.115 15.556 15.556 313 1HG ARG 41 HG2 ARG 41 -1.199 16.699 16.699 314 2HG ARG 41 HG1 ARG 41 0.318 15.979 15.979 315 1HD ARG 41 HD2 ARG 41 1.247 17.979 17.979 316 2HD ARG 41 HD1 ARG 41 1.140 17.363 17.363 317 HE ARG 41 HE ARG 41 -0.509 19.432 19.432 318 1HH1 ARG 41 HH1 ARG 41 -0.263 17.068 17.068 319 2HH1 ARG 41 HH1 ARG 41 -1.425 17.880 17.880 320 1HH2 ARG 41 HH2 ARG 41 -2.054 20.528 20.528 321 2HH2 ARG 41 HH2 ARG 41 -2.448 19.857 19.857 322 H PHE 42 H PHE 42 -2.494 13.311 13.311 323 HA PHE 42 HA PHE 42 -4.371 12.792 12.792 324 1HB PHE 42 HB2 PHE 42 -4.857 10.670 10.670 325 2HB PHE 42 HB1 PHE 42 -3.154 10.710 10.710 326 HD1 PHE 42 HD2 PHE 42 -2.609 11.567 11.567 327 HD2 PHE 42 HD1 PHE 42 -6.372 9.862 9.862 328 HE1 PHE 42 HE2 PHE 42 -3.136 10.953 10.953 329 HE2 PHE 42 HE1 PHE 42 -6.891 9.253 9.253 330 HZ PHE 42 HZ PHE 42 -5.276 9.795 9.795 331 H LYS 43 H LYS 43 -6.578 13.141 13.141 332 HA LYS 43 HA LYS 43 -6.911 14.978 14.978 333 1HB LYS 43 HB2 LYS 43 -9.357 14.929 14.929 334 2HB LYS 43 HB1 LYS 43 -8.026 15.893 15.893 335 1HG LYS 43 HG2 LYS 43 -8.341 13.040 13.040 336 2HG LYS 43 HG1 LYS 43 -9.490 14.245 14.245 337 1HD LYS 43 HD2 LYS 43 -6.852 15.369 15.369 338 2HD LYS 43 HD1 LYS 43 -6.780 13.732 13.732 339 1HE LYS 43 HE2 LYS 43 -8.769 14.320 14.320 340 2HE LYS 43 HE1 LYS 43 -8.680 15.978 15.978 341 1HZ LYS 43 HZ1 LYS 43 -6.538 14.564 14.564 342 2HZ LYS 43 HZ3 LYS 43 -7.545 15.743 15.743 343 3HZ LYS 43 HZ2 LYS 43 -6.452 16.122 16.122 344 H TYR 44 H TYR 44 -7.745 14.442 14.442 345 HA TYR 44 HA TYR 44 -8.690 11.644 11.644 346 1HB TYR 44 HB1 TYR 44 -6.989 12.269 12.269 347 2HB TYR 44 HB2 TYR 44 -7.821 13.761 13.761 348 HD1 TYR 44 HD2 TYR 44 -9.880 10.740 10.740 349 HD2 TYR 44 HD1 TYR 44 -7.655 13.167 13.167 350 HE1 TYR 44 HE2 TYR 44 -11.039 9.624 9.624 351 HE2 TYR 44 HE1 TYR 44 -8.814 12.050 12.050 352 HH TYR 44 HH TYR 44 -10.081 9.976 9.976 353 H GLY 45 H GLY 45 -10.525 12.948 12.948 354 1HA GLY 45 HA1 GLY 45 -12.484 14.450 14.450 355 2HA GLY 45 HA2 GLY 45 -12.748 13.554 13.554 356 H GLY 46 H GLY 46 -12.205 12.978 12.978 357 1HA GLY 46 HA1 GLY 46 -14.596 11.287 11.287 358 2HA GLY 46 HA2 GLY 46 -13.066 10.409 10.409 359 H CYS 47 H CYS 47 -14.825 10.417 10.417 360 HA CYS 47 HA CYS 47 -13.571 12.378 12.378 361 1HB CYS 47 HB2 CYS 47 -16.276 11.141 11.141 362 2HB CYS 47 HB1 CYS 47 -15.549 12.543 12.543 363 HG CYS 47 HG CYS 47 -16.539 14.351 14.351 364 H LEU 48 H LEU 48 -12.767 9.598 9.598 365 HA LEU 48 HA LEU 48 -12.085 8.634 8.634 366 1HB LEU 48 HB2 LEU 48 -14.507 7.932 7.932 367 2HB LEU 48 HB1 LEU 48 -13.851 6.769 6.769 368 HG LEU 48 HG LEU 48 -12.496 6.723 6.723 369 1HD1 LEU 48 HD1 LEU 48 -15.464 6.043 6.043 370 2HD1 LEU 48 HD1 LEU 48 -14.323 5.624 5.624 371 3HD1 LEU 48 HD1 LEU 48 -14.670 7.325 7.325 372 1HD2 LEU 48 HD2 LEU 48 -12.199 4.968 4.968 373 2HD2 LEU 48 HD2 LEU 48 -12.895 4.267 4.267 374 3HD2 LEU 48 HD2 LEU 48 -13.926 4.566 4.566 375 H GLY 49 H GLY 49 -12.524 7.831 7.831 376 1HA GLY 49 HA1 GLY 49 -11.158 6.557 6.557 377 2HA GLY 49 HA2 GLY 49 -9.941 7.712 7.712 378 H ASN 50 H ASN 50 -8.123 6.424 6.424 379 HA ASN 50 HA ASN 50 -8.382 4.175 4.175 380 1HB ASN 50 HB2 ASN 50 -6.942 2.798 2.798 381 2HB ASN 50 HB1 ASN 50 -8.069 3.473 3.473 382 1HD2 ASN 50 HD2 ASN 50 -4.552 3.698 3.698 383 2HD2 ASN 50 HD2 ASN 50 -5.629 2.419 2.419 384 H MET 51 H MET 51 -5.528 3.573 3.573 385 HA MET 51 HA MET 51 -4.570 5.560 5.560 386 1HB MET 51 HB2 MET 51 -3.364 3.166 3.166 387 2HB MET 51 HB1 MET 51 -2.356 4.251 4.251 388 1HG MET 51 HG2 MET 51 -3.393 3.613 3.613 389 2HG MET 51 HG1 MET 51 -4.918 3.194 3.194 390 1HE MET 51 HE1 MET 51 -4.215 1.335 1.335 391 2HE MET 51 HE3 MET 51 -4.194 -0.278 -0.278 392 3HE MET 51 HE2 MET 51 -5.437 0.906 0.906 393 H ASN 52 H ASN 52 -2.566 4.460 4.460 394 HA ASN 52 HA ASN 52 -1.067 6.648 6.648 395 1HB ASN 52 HB2 ASN 52 -1.431 4.450 4.450 396 2HB ASN 52 HB1 ASN 52 -2.473 5.516 5.516 397 1HD2 ASN 52 HD2 ASN 52 0.887 5.621 5.621 398 2HD2 ASN 52 HD2 ASN 52 -0.421 4.463 4.463 399 H ASN 53 H ASN 53 -1.937 8.669 8.669 400 HA ASN 53 HA ASN 53 -3.337 10.020 10.020 401 1HB ASN 53 HB2 ASN 53 -5.362 9.036 9.036 402 2HB ASN 53 HB1 ASN 53 -4.848 9.300 9.300 403 1HD2 ASN 53 HD2 ASN 53 -5.749 12.696 12.696 404 2HD2 ASN 53 HD2 ASN 53 -4.749 11.388 11.388 405 H PHE 54 H PHE 54 -1.072 10.912 10.912 406 HA PHE 54 HA PHE 54 -0.927 12.513 12.513 407 1HB PHE 54 HB2 PHE 54 0.860 12.554 12.554 408 2HB PHE 54 HB1 PHE 54 1.225 13.163 13.163 409 HD1 PHE 54 HD1 PHE 54 0.856 10.072 10.072 410 HD2 PHE 54 HD2 PHE 54 1.873 11.696 11.696 411 HE1 PHE 54 HE1 PHE 54 1.845 7.891 7.891 412 HE2 PHE 54 HE2 PHE 54 2.860 9.509 9.509 413 HZ PHE 54 HZ PHE 54 2.849 7.605 7.605 414 H GLU 55 H GLU 55 -0.148 14.912 14.912 415 HA GLU 55 HA GLU 55 -2.183 16.129 16.129 416 1HB GLU 55 HB2 GLU 55 -0.748 17.654 17.654 417 2HB GLU 55 HB1 GLU 55 -2.350 17.944 17.944 418 1HG GLU 55 HG2 GLU 55 -3.226 15.937 15.937 419 2HG GLU 55 HG1 GLU 55 -1.609 15.551 15.551 420 H THR 56 H THR 56 1.253 15.862 15.862 421 HA THR 56 HA THR 56 1.823 17.649 17.649 422 HB THR 56 HB THR 56 4.057 17.989 17.989 423 HG1 THR 56 HG1 THR 56 1.790 17.836 17.836 424 1HG2 THR 56 HG2 THR 56 1.390 19.417 19.417 425 2HG2 THR 56 HG2 THR 56 2.461 19.879 19.879 426 3HG2 THR 56 HG2 THR 56 3.022 20.059 20.059 427 H LEU 57 H LEU 57 3.761 17.079 17.079 428 HA LEU 57 HA LEU 57 4.000 14.256 14.256 429 1HB LEU 57 HB2 LEU 57 4.209 15.926 15.926 430 2HB LEU 57 HB1 LEU 57 5.760 16.437 16.437 431 HG LEU 57 HG LEU 57 6.173 13.790 13.790 432 1HD1 LEU 57 HD1 LEU 57 4.374 14.566 14.566 433 2HD1 LEU 57 HD1 LEU 57 5.368 13.086 13.086 434 3HD1 LEU 57 HD1 LEU 57 4.044 13.338 13.338 435 1HD2 LEU 57 HD2 LEU 57 7.712 15.547 15.547 436 2HD2 LEU 57 HD2 LEU 57 7.482 14.345 14.345 437 3HD2 LEU 57 HD2 LEU 57 6.661 15.917 15.917 438 H GLU 58 H GLU 58 6.233 16.785 16.785 439 HA GLU 58 HA GLU 58 8.348 15.080 15.080 440 1HB GLU 58 HB2 GLU 58 7.941 17.737 17.737 441 2HB GLU 58 HB1 GLU 58 7.718 17.260 17.260 442 1HG GLU 58 HG2 GLU 58 9.924 16.093 16.093 443 2HG GLU 58 HG1 GLU 58 10.132 16.623 16.623 444 H GLU 59 H GLU 59 5.328 15.833 15.833 445 HA GLU 59 HA GLU 59 6.066 14.424 14.424 446 1HB GLU 59 HB2 GLU 59 4.014 16.079 16.079 447 2HB GLU 59 HB1 GLU 59 3.183 14.514 14.514 448 1HG GLU 59 HG2 GLU 59 3.298 14.192 14.192 449 2HG GLU 59 HG1 GLU 59 4.945 14.844 14.844 450 H CYS 60 H CYS 60 4.267 13.495 13.495 451 HA CYS 60 HA CYS 60 3.656 10.865 10.865 452 1HB CYS 60 HB2 CYS 60 2.381 11.667 11.667 453 2HB CYS 60 HB1 CYS 60 3.805 12.208 12.208 454 HG CYS 60 HG CYS 60 2.226 9.223 9.223 455 H LYS 61 H LYS 61 6.507 12.353 12.353 456 HA LYS 61 HA LYS 61 7.739 9.781 9.781 457 1HB LYS 61 HB2 LYS 61 8.572 12.649 12.649 458 2HB LYS 61 HB1 LYS 61 9.774 11.349 11.349 459 1HG LYS 61 HG2 LYS 61 7.957 10.279 10.279 460 2HG LYS 61 HG1 LYS 61 7.394 11.957 11.957 461 1HD LYS 61 HD2 LYS 61 9.579 12.677 12.677 462 2HD LYS 61 HD1 LYS 61 10.276 11.079 11.079 463 1HE LYS 61 HE2 LYS 61 7.981 11.524 11.524 464 2HE LYS 61 HE1 LYS 61 9.684 11.575 11.575 465 1HZ LYS 61 HZ1 LYS 61 8.327 9.295 9.295 466 2HZ LYS 61 HZ3 LYS 61 8.719 9.413 9.413 467 3HZ LYS 61 HZ2 LYS 61 9.918 9.328 9.328 468 H ASN 62 H ASN 62 7.760 12.268 12.268 469 HA ASN 62 HA ASN 62 10.080 11.408 11.408 470 1HB ASN 62 HB2 ASN 62 7.918 13.251 13.251 471 2HB ASN 62 HB1 ASN 62 7.990 12.211 12.211 472 1HD2 ASN 62 HD2 ASN 62 10.563 15.262 15.262 473 2HD2 ASN 62 HD2 ASN 62 9.050 15.004 15.004 474 H ILE 63 H ILE 63 6.597 10.467 10.467 475 HA ILE 63 HA ILE 63 7.201 8.533 8.533 476 HB ILE 63 HB ILE 63 4.872 9.582 9.582 477 1HG1 ILE 63 HG1 ILE 63 5.012 8.454 8.454 478 2HG1 ILE 63 HG1 ILE 63 5.747 10.016 10.016 479 1HG2 ILE 63 HG2 ILE 63 4.818 6.713 6.713 480 2HG2 ILE 63 HG2 ILE 63 3.378 7.684 7.684 481 3HG2 ILE 63 HG2 ILE 63 4.555 7.256 7.256 482 1HD1 ILE 63 HD1 ILE 63 2.808 9.258 9.258 483 2HD1 ILE 63 HD1 ILE 63 3.455 10.305 10.305 484 3HD1 ILE 63 HD1 ILE 63 3.530 10.829 10.829 485 H CYS 64 H CYS 64 6.583 8.481 8.481 486 HA CYS 64 HA CYS 64 6.968 5.575 5.575 487 1HB CYS 64 HB2 CYS 64 6.605 7.418 7.418 488 2HB CYS 64 HB1 CYS 64 6.377 5.658 5.658 489 HG CYS 64 HG CYS 64 4.054 7.885 7.885 490 H GLU 65 H GLU 65 8.240 7.848 7.848 491 HA GLU 65 HA GLU 65 10.511 6.626 6.626 492 1HB GLU 65 HB2 GLU 65 9.802 9.492 9.492 493 2HB GLU 65 HB1 GLU 65 11.542 9.157 9.157 494 1HG GLU 65 HG2 GLU 65 10.240 7.519 7.519 495 2HG GLU 65 HG1 GLU 65 9.575 9.157 9.157 496 H ASP 66 H ASP 66 9.971 8.314 8.314 497 HA ASP 66 HA ASP 66 11.052 7.663 7.663 498 1HB ASP 66 HB2 ASP 66 12.936 6.361 6.361 499 2HB ASP 66 HB1 ASP 66 12.270 5.869 5.869 500 H GLY 67 H GLY 67 13.022 8.629 8.629 501 1HA GLY 67 HA1 GLY 67 14.746 10.553 10.553 502 2HA GLY 67 HA2 GLY 67 13.224 11.424 11.424 503 HA PRO 68 HA PRO 68 15.406 11.207 11.207 504 1HB PRO 68 HB2 PRO 68 15.377 13.998 13.998 505 2HB PRO 68 HB1 PRO 68 16.731 13.117 13.117 506 1HG PRO 68 HG2 PRO 68 14.735 14.886 14.886 507 2HG PRO 68 HG1 PRO 68 16.310 14.342 14.342 508 1HD PRO 68 HD2 PRO 68 13.722 13.411 13.411 509 2HD PRO 68 HD1 PRO 68 15.307 12.807 12.807 510 H ASN 69 H ASN 69 12.382 11.828 11.828 511 HA ASN 69 HA ASN 69 10.952 13.125 13.125 512 1HB ASN 69 HB2 ASN 69 9.773 12.314 12.314 513 2HB ASN 69 HB1 ASN 69 10.292 10.644 10.644 514 1HD2 ASN 69 HD2 ASN 69 7.136 12.400 12.400 515 2HD2 ASN 69 HD2 ASN 69 8.306 13.337 13.337 516 H GLY 70 H GLY 70 12.490 9.918 9.918 517 1HA GLY 70 HA1 GLY 70 13.021 9.473 9.473 518 2HA GLY 70 HA2 GLY 70 11.256 9.312 9.312 519 H PHE 71 H PHE 71 13.702 8.344 8.344 520 HA PHE 71 HA PHE 71 12.409 5.800 5.800 521 1HB PHE 71 HB2 PHE 71 14.266 7.434 7.434 522 2HB PHE 71 HB1 PHE 71 15.247 6.087 6.087 523 HD1 PHE 71 HD1 PHE 71 11.660 5.946 5.946 524 HD2 PHE 71 HD2 PHE 71 15.779 4.927 4.927 525 HE1 PHE 71 HE1 PHE 71 10.930 4.558 4.558 526 HE2 PHE 71 HE2 PHE 71 15.039 3.541 3.541 527 HZ PHE 71 HZ PHE 71 12.616 3.355 3.355 Start of MODEL 17 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.703 0.916 0.916 3 1HB ASP 1 HB2 ASP 1 3.906 -1.005 -1.005 4 2HB ASP 1 HB1 ASP 1 2.483 -2.054 -2.054 5 H TYR 2 H TYR 2 -0.287 -0.989 -0.989 6 HA TYR 2 HA TYR 2 -0.551 -1.289 -1.289 7 1HB TYR 2 HB1 TYR 2 -2.066 -1.977 -1.977 8 2HB TYR 2 HB2 TYR 2 -2.997 -0.604 -0.604 9 HD1 TYR 2 HD1 TYR 2 -1.140 -3.167 -3.167 10 HD2 TYR 2 HD2 TYR 2 -4.964 -1.513 -1.513 11 HE1 TYR 2 HE1 TYR 2 -2.264 -4.573 -4.573 12 HE2 TYR 2 HE2 TYR 2 -6.087 -2.920 -2.920 13 HH TYR 2 HH TYR 2 -4.466 -4.574 -4.574 14 H LYS 3 H LYS 3 -0.755 0.130 0.130 15 HA LYS 3 HA LYS 3 -0.846 2.127 2.127 16 1HB LYS 3 HB2 LYS 3 -2.890 3.376 3.376 17 2HB LYS 3 HB1 LYS 3 -3.242 1.642 1.642 18 1HG LYS 3 HG2 LYS 3 -3.601 1.789 1.789 19 2HG LYS 3 HG1 LYS 3 -2.710 3.318 3.318 20 1HD LYS 3 HD2 LYS 3 -5.292 3.075 3.075 21 2HD LYS 3 HD1 LYS 3 -5.294 3.409 3.409 22 1HE LYS 3 HE2 LYS 3 -3.671 5.073 5.073 23 2HE LYS 3 HE1 LYS 3 -5.377 5.433 5.433 24 1HZ LYS 3 HZ1 LYS 3 -3.213 5.283 5.283 25 2HZ LYS 3 HZ3 LYS 3 -3.900 6.681 6.681 26 3HZ LYS 3 HZ2 LYS 3 -4.804 5.637 5.637 27 H ASP 4 H ASP 4 -1.141 4.731 4.731 28 HA ASP 4 HA ASP 4 0.320 5.355 5.355 29 1HB ASP 4 HB2 ASP 4 1.124 6.873 6.873 30 2HB ASP 4 HB1 ASP 4 2.094 6.327 6.327 31 H ASP 5 H ASP 5 0.445 7.860 7.860 32 HA ASP 5 HA ASP 5 -0.602 9.910 9.910 33 1HB ASP 5 HB2 ASP 5 -1.095 9.084 9.084 34 2HB ASP 5 HB1 ASP 5 -2.746 9.153 9.153 35 H ASP 6 H ASP 6 -2.595 10.889 10.889 36 HA ASP 6 HA ASP 6 -4.260 8.824 8.824 37 1HB ASP 6 HB2 ASP 6 -4.950 10.869 10.869 38 2HB ASP 6 HB1 ASP 6 -3.315 10.225 10.225 39 H ASP 7 H ASP 7 -4.263 11.559 11.559 40 HA ASP 7 HA ASP 7 -6.771 10.910 10.910 41 1HB ASP 7 HB2 ASP 7 -7.713 13.290 13.290 42 2HB ASP 7 HB1 ASP 7 -8.153 11.728 11.728 43 H LYS 8 H LYS 8 -5.806 14.236 14.236 44 HA LYS 8 HA LYS 8 -4.113 14.759 14.759 45 1HB LYS 8 HB2 LYS 8 -6.801 14.506 14.506 46 2HB LYS 8 HB1 LYS 8 -6.415 16.237 16.237 47 1HG LYS 8 HG2 LYS 8 -4.805 15.953 15.953 48 2HG LYS 8 HG1 LYS 8 -4.366 14.329 14.329 49 1HD LYS 8 HD2 LYS 8 -5.668 13.436 13.436 50 2HD LYS 8 HD1 LYS 8 -7.085 14.231 14.231 51 1HE LYS 8 HE2 LYS 8 -5.194 15.784 15.784 52 2HE LYS 8 HE1 LYS 8 -6.425 14.728 14.728 53 1HZ LYS 8 HZ1 LYS 8 -6.930 16.921 16.921 54 2HZ LYS 8 HZ3 LYS 8 -7.206 16.970 16.970 55 3HZ LYS 8 HZ2 LYS 8 -8.091 15.948 15.948 56 H LEU 9 H LEU 9 -6.738 16.005 16.005 57 HA LEU 9 HA LEU 9 -6.901 17.886 17.886 58 1HB LEU 9 HB2 LEU 9 -3.957 18.103 18.103 59 2HB LEU 9 HB1 LEU 9 -5.240 18.277 18.277 60 HG LEU 9 HG LEU 9 -5.419 15.644 15.644 61 1HD1 LEU 9 HD1 LEU 9 -2.466 16.366 16.366 62 2HD1 LEU 9 HD1 LEU 9 -3.122 14.706 14.706 63 3HD1 LEU 9 HD1 LEU 9 -3.319 15.716 15.716 64 1HD2 LEU 9 HD2 LEU 9 -5.642 16.461 16.461 65 2HD2 LEU 9 HD2 LEU 9 -4.462 15.123 15.123 66 3HD2 LEU 9 HD2 LEU 9 -3.902 16.802 16.802 67 H LYS 10 H LYS 10 -6.622 18.137 18.137 68 HA LYS 10 HA LYS 10 -6.576 19.813 19.813 69 1HB LYS 10 HB2 LYS 10 -6.845 21.212 21.212 70 2HB LYS 10 HB1 LYS 10 -5.967 22.190 22.190 71 1HG LYS 10 HG2 LYS 10 -8.297 20.788 20.788 72 2HG LYS 10 HG1 LYS 10 -8.737 21.893 21.893 73 1HD LYS 10 HD2 LYS 10 -6.917 23.387 23.387 74 2HD LYS 10 HD1 LYS 10 -7.759 22.467 22.467 75 1HE LYS 10 HE2 LYS 10 -8.986 24.520 24.520 76 2HE LYS 10 HE1 LYS 10 -9.947 23.232 23.232 77 1HZ LYS 10 HZ1 LYS 10 -8.105 25.068 25.068 78 2HZ LYS 10 HZ3 LYS 10 -9.773 25.163 25.163 79 3HZ LYS 10 HZ2 LYS 10 -9.013 23.877 23.877 80 HA PRO 11 HA PRO 11 -2.295 20.037 20.037 81 1HB PRO 11 HB2 PRO 11 -2.479 21.694 21.694 82 2HB PRO 11 HB1 PRO 11 -2.789 19.947 19.947 83 1HG PRO 11 HG2 PRO 11 -4.674 22.199 22.199 84 2HG PRO 11 HG1 PRO 11 -4.902 20.490 20.490 85 1HD PRO 11 HD2 PRO 11 -5.872 21.851 21.851 86 2HD PRO 11 HD1 PRO 11 -5.999 20.124 20.124 87 H ASP 12 H ASP 12 -1.037 21.059 21.059 88 HA ASP 12 HA ASP 12 -1.429 23.773 23.773 89 1HB ASP 12 HB2 ASP 12 -0.117 21.862 21.862 90 2HB ASP 12 HB1 ASP 12 1.203 22.288 22.288 91 H PHE 13 H PHE 13 0.353 22.227 22.227 92 HA PHE 13 HA PHE 13 2.179 24.305 24.305 93 1HB PHE 13 HB2 PHE 13 2.373 23.210 23.210 94 2HB PHE 13 HB1 PHE 13 2.027 21.939 21.939 95 HD1 PHE 13 HD1 PHE 13 0.232 24.175 24.175 96 HD2 PHE 13 HD2 PHE 13 0.335 20.371 20.371 97 HE1 PHE 13 HE1 PHE 13 -1.689 23.382 23.382 98 HE2 PHE 13 HE2 PHE 13 -1.587 19.586 19.586 99 HZ PHE 13 HZ PHE 13 -2.601 21.089 21.089 100 H CYS 14 H CYS 14 -1.343 24.000 24.000 101 HA CYS 14 HA CYS 14 -1.619 25.962 25.962 102 1HB CYS 14 HB2 CYS 14 -3.443 24.718 24.718 103 2HB CYS 14 HB1 CYS 14 -3.990 26.132 26.132 104 HG CYS 14 HG CYS 14 -3.156 23.007 23.007 105 H PHE 15 H PHE 15 -1.404 26.090 26.090 106 HA PHE 15 HA PHE 15 -1.975 29.001 29.001 107 1HB PHE 15 HB2 PHE 15 -0.914 27.344 27.344 108 2HB PHE 15 HB1 PHE 15 -1.959 28.754 28.754 109 HD1 PHE 15 HD1 PHE 15 -4.194 28.148 28.148 110 HD2 PHE 15 HD2 PHE 15 -2.069 25.534 25.534 111 HE1 PHE 15 HE1 PHE 15 -6.202 26.699 26.699 112 HE2 PHE 15 HE2 PHE 15 -4.083 24.090 24.090 113 HZ PHE 15 HZ PHE 15 -6.152 24.668 24.668 114 H LEU 16 H LEU 16 0.547 27.292 27.292 115 HA LEU 16 HA LEU 16 2.685 28.630 28.630 116 1HB LEU 16 HB2 LEU 16 2.446 26.312 26.312 117 2HB LEU 16 HB1 LEU 16 3.415 27.370 27.370 118 HG LEU 16 HG LEU 16 4.390 27.539 27.539 119 1HD1 LEU 16 HD1 LEU 16 4.133 24.672 24.672 120 2HD1 LEU 16 HD1 LEU 16 5.151 25.197 25.197 121 3HD1 LEU 16 HD1 LEU 16 3.386 25.367 25.367 122 1HD2 LEU 16 HD2 LEU 16 5.734 27.991 27.991 123 2HD2 LEU 16 HD2 LEU 16 6.507 26.709 26.709 124 3HD2 LEU 16 HD2 LEU 16 5.610 26.293 26.293 125 H GLU 17 H GLU 17 3.792 30.467 30.467 126 HA GLU 17 HA GLU 17 2.558 32.326 32.326 127 1HB GLU 17 HB2 GLU 17 5.563 32.260 32.260 128 2HB GLU 17 HB1 GLU 17 4.494 33.670 33.670 129 1HG GLU 17 HG2 GLU 17 3.403 32.629 32.629 130 2HG GLU 17 HG1 GLU 17 4.980 31.828 31.828 131 H GLU 18 H GLU 18 2.829 33.030 33.030 132 HA GLU 18 HA GLU 18 3.339 30.952 30.952 133 1HB GLU 18 HB2 GLU 18 2.671 32.444 32.444 134 2HB GLU 18 HB1 GLU 18 1.942 33.190 33.190 135 1HG GLU 18 HG2 GLU 18 4.405 34.351 34.351 136 2HG GLU 18 HG1 GLU 18 4.238 34.088 34.088 137 H ASP 19 H ASP 19 5.089 30.549 30.549 138 HA ASP 19 HA ASP 19 7.506 32.226 32.226 139 1HB ASP 19 HB2 ASP 19 7.371 30.159 30.159 140 2HB ASP 19 HB1 ASP 19 7.761 29.240 29.240 141 HA PRO 20 HA PRO 20 6.938 30.965 30.965 142 1HB PRO 20 HB2 PRO 20 8.242 33.261 33.261 143 2HB PRO 20 HB1 PRO 20 6.500 33.166 33.166 144 1HG PRO 20 HG2 PRO 20 8.624 34.551 34.551 145 2HG PRO 20 HG1 PRO 20 6.865 34.777 34.777 146 1HD PRO 20 HD2 PRO 20 8.503 33.441 33.441 147 2HD PRO 20 HD1 PRO 20 6.735 33.584 33.584 148 H GLY 21 H GLY 21 9.547 31.099 31.099 149 1HA GLY 21 HA1 GLY 21 11.395 29.606 29.606 150 2HA GLY 21 HA2 GLY 21 11.262 29.757 29.757 151 H ILE 22 H ILE 22 13.451 30.394 30.394 152 HA ILE 22 HA ILE 22 14.167 32.976 32.976 153 HB ILE 22 HB ILE 22 16.182 31.337 31.337 154 1HG1 ILE 22 HG1 ILE 22 15.096 30.612 30.612 155 2HG1 ILE 22 HG1 ILE 22 14.894 29.660 29.660 156 1HG2 ILE 22 HG2 ILE 22 16.199 32.983 32.983 157 2HG2 ILE 22 HG2 ILE 22 17.613 32.136 32.136 158 3HG2 ILE 22 HG2 ILE 22 16.847 33.465 33.465 159 1HD1 ILE 22 HD1 ILE 22 17.561 30.344 30.344 160 2HD1 ILE 22 HD1 ILE 22 16.729 28.766 28.766 161 3HD1 ILE 22 HD1 ILE 22 17.368 29.376 29.376 162 H CYS 23 H CYS 23 14.235 31.120 31.120 163 HA CYS 23 HA CYS 23 15.069 33.375 33.375 164 1HB CYS 23 HB2 CYS 23 13.489 31.115 31.115 165 2HB CYS 23 HB1 CYS 23 14.833 32.035 32.035 166 HG CYS 23 HG CYS 23 16.796 30.793 30.793 167 H ARG 24 H ARG 24 12.921 32.878 32.878 168 HA ARG 24 HA ARG 24 10.679 34.312 34.312 169 1HB ARG 24 HB2 ARG 24 12.460 35.572 35.572 170 2HB ARG 24 HB1 ARG 24 11.193 35.043 35.043 171 1HG ARG 24 HG2 ARG 24 9.617 36.451 36.451 172 2HG ARG 24 HG1 ARG 24 10.279 36.292 36.292 173 1HD ARG 24 HD2 ARG 24 12.114 37.646 37.646 174 2HD ARG 24 HD1 ARG 24 10.573 38.501 38.501 175 HE ARG 24 HE ARG 24 11.686 37.613 37.613 176 1HH1 ARG 24 HH1 ARG 24 11.894 40.103 40.103 177 2HH1 ARG 24 HH1 ARG 24 12.541 41.350 41.350 178 1HH2 ARG 24 HH2 ARG 24 12.545 39.251 39.251 179 2HH2 ARG 24 HH2 ARG 24 12.913 40.864 40.864 180 H GLY 25 H GLY 25 9.270 34.617 34.617 181 1HA GLY 25 HA1 GLY 25 8.446 33.122 33.122 182 2HA GLY 25 HA2 GLY 25 8.754 31.744 31.744 183 H TYR 26 H TYR 26 7.023 34.955 34.955 184 HA TYR 26 HA TYR 26 5.098 33.896 33.896 185 1HB TYR 26 HB1 TYR 26 4.821 36.322 36.322 186 2HB TYR 26 HB2 TYR 26 3.895 36.005 36.005 187 HD1 TYR 26 HD2 TYR 26 6.936 34.845 34.845 188 HD2 TYR 26 HD1 TYR 26 5.089 38.593 38.593 189 HE1 TYR 26 HE2 TYR 26 8.598 36.071 36.071 190 HE2 TYR 26 HE1 TYR 26 6.751 39.818 39.818 191 HH TYR 26 HH TYR 26 8.373 39.522 39.522 192 H ILE 27 H ILE 27 3.130 32.904 32.904 193 HA ILE 27 HA ILE 27 2.212 32.657 32.657 194 HB ILE 27 HB ILE 27 2.247 30.374 30.374 195 1HG1 ILE 27 HG1 ILE 27 4.154 30.598 30.598 196 2HG1 ILE 27 HG1 ILE 27 4.550 31.330 31.330 197 1HG2 ILE 27 HG2 ILE 27 1.758 30.505 30.505 198 2HG2 ILE 27 HG2 ILE 27 1.865 29.003 29.003 199 3HG2 ILE 27 HG2 ILE 27 0.557 30.163 30.163 200 1HD1 ILE 27 HD1 ILE 27 3.859 28.386 28.386 201 2HD1 ILE 27 HD1 ILE 27 5.492 29.048 29.048 202 3HD1 ILE 27 HD1 ILE 27 4.271 29.105 29.105 203 H THR 28 H THR 28 1.525 34.170 34.170 204 HA THR 28 HA THR 28 -0.360 34.800 34.800 205 HB THR 28 HB THR 28 -1.485 34.001 34.001 206 HG1 THR 28 HG1 THR 28 -0.189 35.793 35.793 207 1HG2 THR 28 HG2 THR 28 -2.863 34.942 34.942 208 2HG2 THR 28 HG2 THR 28 -3.288 35.758 35.758 209 3HG2 THR 28 HG2 THR 28 -3.555 34.011 34.011 210 H ARG 29 H ARG 29 0.603 32.517 32.517 211 HA ARG 29 HA ARG 29 -1.446 30.435 30.435 212 1HB ARG 29 HB2 ARG 29 1.086 30.809 30.809 213 2HB ARG 29 HB1 ARG 29 0.019 29.396 29.396 214 1HG ARG 29 HG2 ARG 29 1.517 30.340 30.340 215 2HG ARG 29 HG1 ARG 29 1.942 28.939 28.939 216 1HD ARG 29 HD2 ARG 29 -0.269 27.909 27.909 217 2HD ARG 29 HD1 ARG 29 -0.633 29.303 29.303 218 HE ARG 29 HE ARG 29 1.914 27.943 27.943 219 1HH1 ARG 29 HH1 ARG 29 -1.553 28.142 28.142 220 2HH1 ARG 29 HH1 ARG 29 -1.449 27.362 27.362 221 1HH2 ARG 29 HH2 ARG 29 2.078 26.904 26.904 222 2HH2 ARG 29 HH2 ARG 29 0.625 26.654 26.654 223 H TYR 30 H TYR 30 -1.940 29.571 29.571 224 HA TYR 30 HA TYR 30 -2.744 32.013 32.013 225 1HB TYR 30 HB1 TYR 30 -4.453 29.521 29.521 226 2HB TYR 30 HB2 TYR 30 -4.901 30.899 30.899 227 HD1 TYR 30 HD1 TYR 30 -3.783 30.237 30.237 228 HD2 TYR 30 HD2 TYR 30 -6.309 32.516 32.516 229 HE1 TYR 30 HE1 TYR 30 -4.819 31.370 31.370 230 HE2 TYR 30 HE2 TYR 30 -7.344 33.649 33.649 231 HH TYR 30 HH TYR 30 -6.093 33.647 33.647 232 H PHE 31 H PHE 31 -3.032 31.683 31.683 233 HA PHE 31 HA PHE 31 -1.990 29.154 29.154 234 1HB PHE 31 HB2 PHE 31 -0.028 29.959 29.959 235 2HB PHE 31 HB1 PHE 31 -0.034 30.714 30.714 236 HD1 PHE 31 HD2 PHE 31 -0.732 33.148 33.148 237 HD2 PHE 31 HD1 PHE 31 -0.028 31.326 31.326 238 HE1 PHE 31 HE2 PHE 31 -0.494 35.400 35.400 239 HE2 PHE 31 HE1 PHE 31 0.208 33.580 33.580 240 HZ PHE 31 HZ PHE 31 -0.023 35.619 35.619 241 H TYR 32 H TYR 32 -2.878 28.815 28.815 242 HA TYR 32 HA TYR 32 -4.879 30.743 30.743 243 1HB TYR 32 HB1 TYR 32 -4.847 28.126 28.126 244 2HB TYR 32 HB2 TYR 32 -3.855 28.427 28.427 245 HD1 TYR 32 HD1 TYR 32 -7.245 29.072 29.072 246 HD2 TYR 32 HD2 TYR 32 -4.767 29.184 29.184 247 HE1 TYR 32 HE1 TYR 32 -9.257 29.457 29.457 248 HE2 TYR 32 HE2 TYR 32 -6.781 29.569 29.569 249 HH TYR 32 HH TYR 32 -9.939 30.281 30.281 250 H ASN 33 H ASN 33 -4.403 32.629 32.629 251 HA ASN 33 HA ASN 33 -1.914 32.765 32.765 252 1HB ASN 33 HB2 ASN 33 -2.431 34.501 34.501 253 2HB ASN 33 HB1 ASN 33 -3.817 35.006 35.006 254 1HD2 ASN 33 HD2 ASN 33 -1.117 37.344 37.344 255 2HD2 ASN 33 HD2 ASN 33 -2.197 36.949 36.949 256 H ASN 34 H ASN 34 -2.122 32.367 32.367 257 HA ASN 34 HA ASN 34 -4.611 32.241 32.241 258 1HB ASN 34 HB2 ASN 34 -2.706 31.123 31.123 259 2HB ASN 34 HB1 ASN 34 -1.743 32.613 32.613 260 1HD2 ASN 34 HD2 ASN 34 -4.227 31.621 31.621 261 2HD2 ASN 34 HD2 ASN 34 -3.957 30.616 30.616 262 H GLN 35 H GLN 35 -2.300 34.900 34.900 263 HA GLN 35 HA GLN 35 -3.141 36.703 36.703 264 1HB GLN 35 HB2 GLN 35 -1.416 36.804 36.804 265 2HB GLN 35 HB1 GLN 35 -2.697 37.909 37.909 266 1HG GLN 35 HG2 GLN 35 -1.853 39.503 39.503 267 2HG GLN 35 HG1 GLN 35 -2.184 38.468 38.468 268 1HE2 GLN 35 HE2 GLN 35 1.164 36.914 36.914 269 2HE2 GLN 35 HE2 GLN 35 -0.534 36.427 36.427 270 H THR 36 H THR 36 -4.710 35.722 35.722 271 HA THR 36 HA THR 36 -7.010 37.489 37.489 272 HB THR 36 HB THR 36 -7.442 37.677 37.677 273 HG1 THR 36 HG1 THR 36 -6.380 36.335 36.335 274 1HG2 THR 36 HG2 THR 36 -4.713 38.337 38.337 275 2HG2 THR 36 HG2 THR 36 -4.906 38.426 38.426 276 3HG2 THR 36 HG2 THR 36 -5.912 39.449 39.449 277 H LYS 37 H LYS 37 -6.102 34.555 34.555 278 HA LYS 37 HA LYS 37 -6.962 32.431 32.431 279 1HB LYS 37 HB2 LYS 37 -9.261 34.110 34.110 280 2HB LYS 37 HB1 LYS 37 -9.235 32.337 32.337 281 1HG LYS 37 HG2 LYS 37 -8.088 32.482 32.482 282 2HG LYS 37 HG1 LYS 37 -6.735 33.186 33.186 283 1HD LYS 37 HD2 LYS 37 -7.304 34.701 34.701 284 2HD LYS 37 HD1 LYS 37 -7.831 35.446 35.446 285 1HE LYS 37 HE2 LYS 37 -9.882 35.661 35.661 286 2HE LYS 37 HE1 LYS 37 -10.027 33.894 33.894 287 1HZ LYS 37 HZ1 LYS 37 -8.865 35.426 35.426 288 2HZ LYS 37 HZ3 LYS 37 -10.378 34.718 34.718 289 3HZ LYS 37 HZ2 LYS 37 -9.012 33.773 33.773 290 H GLN 38 H GLN 38 -6.763 33.306 33.306 291 HA GLN 38 HA GLN 38 -8.866 31.848 31.848 292 1HB GLN 38 HB2 GLN 38 -8.906 34.868 34.868 293 2HB GLN 38 HB1 GLN 38 -9.524 33.853 33.853 294 1HG GLN 38 HG2 GLN 38 -10.792 32.674 32.674 295 2HG GLN 38 HG1 GLN 38 -10.593 34.294 34.294 296 1HE2 GLN 38 HE2 GLN 38 -13.726 33.632 33.632 297 2HE2 GLN 38 HE2 GLN 38 -12.845 32.530 32.530 298 H CYS 39 H CYS 39 -8.533 31.863 31.863 299 HA CYS 39 HA CYS 39 -5.701 31.602 31.602 300 1HB CYS 39 HB2 CYS 39 -8.173 31.222 31.222 301 2HB CYS 39 HB1 CYS 39 -6.569 31.210 31.210 302 HG CYS 39 HG CYS 39 -8.092 28.823 28.823 303 H GLU 40 H GLU 40 -4.285 33.010 33.010 304 HA GLU 40 HA GLU 40 -5.489 35.509 35.509 305 1HB GLU 40 HB2 GLU 40 -2.778 35.228 35.228 306 2HB GLU 40 HB1 GLU 40 -3.533 36.730 36.730 307 1HG GLU 40 HG2 GLU 40 -4.845 34.921 34.921 308 2HG GLU 40 HG1 GLU 40 -3.697 36.193 36.193 309 H ARG 41 H ARG 41 -4.817 36.222 36.222 310 HA ARG 41 HA ARG 41 -3.481 34.283 34.283 311 1HB ARG 41 HB2 ARG 41 -5.005 36.707 36.707 312 2HB ARG 41 HB1 ARG 41 -3.478 36.858 36.858 313 1HG ARG 41 HG2 ARG 41 -4.081 35.262 35.262 314 2HG ARG 41 HG1 ARG 41 -4.793 34.218 34.218 315 1HD ARG 41 HD2 ARG 41 -6.067 36.659 36.659 316 2HD ARG 41 HD1 ARG 41 -6.563 34.965 34.965 317 HE ARG 41 HE ARG 41 -6.639 35.489 35.489 318 1HH1 ARG 41 HH1 ARG 41 -8.170 36.751 36.751 319 2HH1 ARG 41 HH1 ARG 41 -9.667 37.238 37.238 320 1HH2 ARG 41 HH2 ARG 41 -8.616 36.127 36.127 321 2HH2 ARG 41 HH2 ARG 41 -9.922 36.881 36.881 322 H PHE 42 H PHE 42 -1.331 33.954 33.954 323 HA PHE 42 HA PHE 42 0.519 36.301 36.301 324 1HB PHE 42 HB2 PHE 42 1.738 35.386 35.386 325 2HB PHE 42 HB1 PHE 42 0.145 34.811 34.811 326 HD1 PHE 42 HD2 PHE 42 -0.541 32.447 32.447 327 HD2 PHE 42 HD1 PHE 42 3.476 33.791 33.791 328 HE1 PHE 42 HE2 PHE 42 0.258 30.094 30.094 329 HE2 PHE 42 HE1 PHE 42 4.265 31.436 31.436 330 HZ PHE 42 HZ PHE 42 2.660 29.584 29.584 331 H LYS 43 H LYS 43 2.846 35.443 35.443 332 HA LYS 43 HA LYS 43 2.484 33.881 33.881 333 1HB LYS 43 HB2 LYS 43 4.951 34.920 34.920 334 2HB LYS 43 HB1 LYS 43 3.462 35.750 35.750 335 1HG LYS 43 HG2 LYS 43 4.545 36.058 36.058 336 2HG LYS 43 HG1 LYS 43 5.226 37.016 37.016 337 1HD LYS 43 HD2 LYS 43 2.478 37.290 37.290 338 2HD LYS 43 HD1 LYS 43 2.643 37.272 37.272 339 1HE LYS 43 HE2 LYS 43 4.377 39.072 39.072 340 2HE LYS 43 HE1 LYS 43 4.126 39.100 39.100 341 1HZ LYS 43 HZ1 LYS 43 2.073 39.661 39.661 342 2HZ LYS 43 HZ3 LYS 43 2.867 40.796 40.796 343 3HZ LYS 43 HZ2 LYS 43 1.833 39.706 39.706 344 H TYR 44 H TYR 44 4.095 32.208 32.208 345 HA TYR 44 HA TYR 44 5.105 30.977 30.977 346 1HB TYR 44 HB1 TYR 44 3.619 29.515 29.515 347 2HB TYR 44 HB2 TYR 44 4.422 29.855 29.855 348 HD1 TYR 44 HD2 TYR 44 6.819 29.471 29.471 349 HD2 TYR 44 HD1 TYR 44 4.372 27.244 27.244 350 HE1 TYR 44 HE2 TYR 44 8.289 27.494 27.494 351 HE2 TYR 44 HE1 TYR 44 5.843 25.268 25.268 352 HH TYR 44 HH TYR 44 7.502 24.334 24.334 353 H GLY 45 H GLY 45 6.257 30.596 30.596 354 1HA GLY 45 HA1 GLY 45 8.335 31.738 31.738 355 2HA GLY 45 HA2 GLY 45 8.950 31.522 31.522 356 H GLY 46 H GLY 46 8.665 29.026 29.026 357 1HA GLY 46 HA1 GLY 46 8.632 26.744 26.744 358 2HA GLY 46 HA2 GLY 46 9.973 27.421 27.421 359 H CYS 47 H CYS 47 12.014 27.850 27.850 360 HA CYS 47 HA CYS 47 13.220 26.134 26.134 361 1HB CYS 47 HB2 CYS 47 13.296 29.063 29.063 362 2HB CYS 47 HB1 CYS 47 14.522 27.852 27.852 363 HG CYS 47 HG CYS 47 14.420 27.491 27.491 364 H LEU 48 H LEU 48 12.933 24.955 24.955 365 HA LEU 48 HA LEU 48 10.995 24.524 24.524 366 1HB LEU 48 HB2 LEU 48 13.604 24.298 24.298 367 2HB LEU 48 HB1 LEU 48 13.206 25.469 25.469 368 HG LEU 48 HG LEU 48 11.861 22.803 22.803 369 1HD1 LEU 48 HD1 LEU 48 14.089 23.520 23.520 370 2HD1 LEU 48 HD1 LEU 48 13.158 21.997 21.997 371 3HD1 LEU 48 HD1 LEU 48 14.191 22.395 22.395 372 1HD2 LEU 48 HD2 LEU 48 10.454 24.422 24.422 373 2HD2 LEU 48 HD2 LEU 48 11.004 23.152 23.152 374 3HD2 LEU 48 HD2 LEU 48 11.763 24.756 24.756 375 H GLY 49 H GLY 49 9.220 25.665 25.665 376 1HA GLY 49 HA1 GLY 49 9.642 28.280 28.280 377 2HA GLY 49 HA2 GLY 49 8.455 28.119 28.119 378 H ASN 50 H ASN 50 9.414 26.864 26.864 379 HA ASN 50 HA ASN 50 8.165 25.624 25.624 380 1HB ASN 50 HB2 ASN 50 6.475 26.963 26.963 381 2HB ASN 50 HB1 ASN 50 7.557 28.146 28.146 382 1HD2 ASN 50 HD2 ASN 50 3.635 28.020 28.020 383 2HD2 ASN 50 HD2 ASN 50 4.425 27.248 27.248 384 H MET 51 H MET 51 5.284 25.533 25.533 385 HA MET 51 HA MET 51 4.665 23.647 23.647 386 1HB MET 51 HB2 MET 51 3.586 23.966 23.966 387 2HB MET 51 HB1 MET 51 2.863 22.880 22.880 388 1HG MET 51 HG2 MET 51 4.371 21.553 21.553 389 2HG MET 51 HG1 MET 51 5.161 21.788 21.788 390 1HE MET 51 HE1 MET 51 5.020 22.714 22.714 391 2HE MET 51 HE3 MET 51 6.173 24.071 24.071 392 3HE MET 51 HE2 MET 51 4.631 24.282 24.282 393 H ASN 52 H ASN 52 2.626 25.619 25.619 394 HA ASN 52 HA ASN 52 0.399 26.027 26.027 395 1HB ASN 52 HB2 ASN 52 1.362 27.323 27.323 396 2HB ASN 52 HB1 ASN 52 1.796 28.549 28.549 397 1HD2 ASN 52 HD2 ASN 52 -1.556 29.399 29.399 398 2HD2 ASN 52 HD2 ASN 52 0.099 29.225 29.225 399 H ASN 53 H ASN 53 0.547 25.836 25.836 400 HA ASN 53 HA ASN 53 1.031 28.296 28.296 401 1HB ASN 53 HB2 ASN 53 3.367 27.750 27.750 402 2HB ASN 53 HB1 ASN 53 3.042 26.021 26.021 403 1HD2 ASN 53 HD2 ASN 53 3.472 26.222 26.222 404 2HD2 ASN 53 HD2 ASN 53 3.623 25.350 25.350 405 H PHE 54 H PHE 54 -1.248 27.628 27.628 406 HA PHE 54 HA PHE 54 -1.682 25.230 25.230 407 1HB PHE 54 HB2 PHE 54 -3.631 27.353 27.353 408 2HB PHE 54 HB1 PHE 54 -4.012 25.793 25.793 409 HD1 PHE 54 HD1 PHE 54 -2.753 27.475 27.475 410 HD2 PHE 54 HD2 PHE 54 -3.946 23.726 23.726 411 HE1 PHE 54 HE1 PHE 54 -2.834 26.420 26.420 412 HE2 PHE 54 HE2 PHE 54 -4.025 22.678 22.678 413 HZ PHE 54 HZ PHE 54 -3.470 24.022 24.022 414 H GLU 55 H GLU 55 -3.594 25.990 25.990 415 HA GLU 55 HA GLU 55 -2.209 28.044 28.044 416 1HB GLU 55 HB2 GLU 55 -3.842 25.664 25.664 417 2HB GLU 55 HB1 GLU 55 -3.040 26.867 26.867 418 1HG GLU 55 HG2 GLU 55 -0.893 26.144 26.144 419 2HG GLU 55 HG1 GLU 55 -1.847 24.681 24.681 420 H THR 56 H THR 56 -5.306 26.711 26.711 421 HA THR 56 HA THR 56 -6.628 29.215 29.215 422 HB THR 56 HB THR 56 -8.711 27.400 27.400 423 HG1 THR 56 HG1 THR 56 -6.430 25.997 25.997 424 1HG2 THR 56 HG2 THR 56 -6.762 28.150 28.150 425 2HG2 THR 56 HG2 THR 56 -7.831 26.763 26.763 426 3HG2 THR 56 HG2 THR 56 -8.534 28.361 28.361 427 H LEU 57 H LEU 57 -8.174 30.176 30.176 428 HA LEU 57 HA LEU 57 -7.431 30.009 30.009 429 1HB LEU 57 HB2 LEU 57 -8.339 31.976 31.976 430 2HB LEU 57 HB1 LEU 57 -9.923 31.178 31.178 431 HG LEU 57 HG LEU 57 -9.341 31.025 31.025 432 1HD1 LEU 57 HD1 LEU 57 -8.211 33.689 33.689 433 2HD1 LEU 57 HD1 LEU 57 -8.561 33.268 33.268 434 3HD1 LEU 57 HD1 LEU 57 -7.321 32.376 32.376 435 1HD2 LEU 57 HD2 LEU 57 -11.495 31.736 31.736 436 2HD2 LEU 57 HD2 LEU 57 -10.963 32.897 32.897 437 3HD2 LEU 57 HD2 LEU 57 -10.806 33.301 33.301 438 H GLU 58 H GLU 58 -10.241 28.690 28.690 439 HA GLU 58 HA GLU 58 -11.575 27.584 27.584 440 1HB GLU 58 HB2 GLU 58 -12.113 27.759 27.759 441 2HB GLU 58 HB1 GLU 58 -11.714 26.036 26.036 442 1HG GLU 58 HG2 GLU 58 -13.398 25.764 25.764 443 2HG GLU 58 HG1 GLU 58 -13.727 27.509 27.509 444 H GLU 59 H GLU 59 -8.890 26.380 26.380 445 HA GLU 59 HA GLU 59 -8.911 23.738 23.738 446 1HB GLU 59 HB2 GLU 59 -7.741 24.721 24.721 447 2HB GLU 59 HB1 GLU 59 -6.389 25.004 25.004 448 1HG GLU 59 HG2 GLU 59 -6.334 22.631 22.631 449 2HG GLU 59 HG1 GLU 59 -7.795 22.324 22.324 450 H CYS 60 H CYS 60 -7.119 26.768 26.768 451 HA CYS 60 HA CYS 60 -5.521 25.589 25.589 452 1HB CYS 60 HB2 CYS 60 -4.810 27.622 27.622 453 2HB CYS 60 HB1 CYS 60 -6.359 28.415 28.415 454 HG CYS 60 HG CYS 60 -5.089 29.658 29.658 455 H LYS 61 H LYS 61 -8.824 26.873 26.873 456 HA LYS 61 HA LYS 61 -9.064 26.921 26.921 457 1HB LYS 61 HB2 LYS 61 -10.872 27.512 27.512 458 2HB LYS 61 HB1 LYS 61 -11.583 27.221 27.221 459 1HG LYS 61 HG2 LYS 61 -9.784 28.939 28.939 460 2HG LYS 61 HG1 LYS 61 -9.665 29.395 29.395 461 1HD LYS 61 HD2 LYS 61 -12.048 29.943 29.943 462 2HD LYS 61 HD1 LYS 61 -12.262 29.329 29.329 463 1HE LYS 61 HE2 LYS 61 -10.447 31.662 31.662 464 2HE LYS 61 HE1 LYS 61 -12.106 31.847 31.847 465 1HZ LYS 61 HZ1 LYS 61 -9.881 30.522 30.522 466 2HZ LYS 61 HZ3 LYS 61 -10.484 32.047 32.047 467 3HZ LYS 61 HZ2 LYS 61 -11.426 30.705 30.705 468 H ASN 62 H ASN 62 -9.953 24.767 24.767 469 HA ASN 62 HA ASN 62 -11.582 22.947 22.947 470 1HB ASN 62 HB2 ASN 62 -10.691 23.136 23.136 471 2HB ASN 62 HB1 ASN 62 -9.675 21.808 21.808 472 1HD2 ASN 62 HD2 ASN 62 -13.556 21.250 21.250 473 2HD2 ASN 62 HD2 ASN 62 -12.607 22.706 22.706 474 H ILE 63 H ILE 63 -8.006 23.037 23.037 475 HA ILE 63 HA ILE 63 -7.628 20.664 20.664 476 HB ILE 63 HB ILE 63 -5.882 22.621 22.621 477 1HG1 ILE 63 HG1 ILE 63 -5.026 20.186 20.186 478 2HG1 ILE 63 HG1 ILE 63 -6.670 19.756 19.756 479 1HG2 ILE 63 HG2 ILE 63 -4.888 20.506 20.506 480 2HG2 ILE 63 HG2 ILE 63 -3.861 21.407 21.407 481 3HG2 ILE 63 HG2 ILE 63 -4.710 22.265 22.265 482 1HD1 ILE 63 HD1 ILE 63 -5.934 21.971 21.971 483 2HD1 ILE 63 HD1 ILE 63 -6.603 20.369 20.369 484 3HD1 ILE 63 HD1 ILE 63 -7.583 21.537 21.537 485 H CYS 64 H CYS 64 -7.398 24.210 24.210 486 HA CYS 64 HA CYS 64 -6.511 23.818 23.818 487 1HB CYS 64 HB2 CYS 64 -7.096 26.368 26.368 488 2HB CYS 64 HB1 CYS 64 -6.343 26.237 26.237 489 HG CYS 64 HG CYS 64 -4.785 26.502 26.502 490 H GLU 65 H GLU 65 -8.842 26.295 26.295 491 HA GLU 65 HA GLU 65 -10.444 26.448 26.448 492 1HB GLU 65 HB2 GLU 65 -10.941 26.712 26.712 493 2HB GLU 65 HB1 GLU 65 -12.400 26.448 26.448 494 1HG GLU 65 HG2 GLU 65 -10.779 28.341 28.341 495 2HG GLU 65 HG1 GLU 65 -10.804 28.844 28.844 496 H ASP 66 H ASP 66 -10.336 23.716 23.716 497 HA ASP 66 HA ASP 66 -11.211 21.605 21.605 498 1HB ASP 66 HB2 ASP 66 -11.402 20.611 20.611 499 2HB ASP 66 HB1 ASP 66 -10.377 22.004 22.004 500 H GLY 67 H GLY 67 -13.333 20.355 20.355 501 1HA GLY 67 HA1 GLY 67 -15.729 21.973 21.973 502 2HA GLY 67 HA2 GLY 67 -15.491 21.475 21.475 503 HA PRO 68 HA PRO 68 -17.159 17.968 17.968 504 1HB PRO 68 HB2 PRO 68 -19.929 18.349 18.349 505 2HB PRO 68 HB1 PRO 68 -19.046 18.899 18.899 506 1HG PRO 68 HG2 PRO 68 -20.113 20.444 20.444 507 2HG PRO 68 HG1 PRO 68 -19.613 20.987 20.987 508 1HD PRO 68 HD2 PRO 68 -18.179 21.292 21.292 509 2HD PRO 68 HD1 PRO 68 -17.648 21.733 21.733 510 H ASN 69 H ASN 69 -17.940 15.948 15.948 511 HA ASN 69 HA ASN 69 -18.184 14.360 14.360 512 1HB ASN 69 HB2 ASN 69 -20.360 15.224 15.224 513 2HB ASN 69 HB1 ASN 69 -19.689 16.688 16.688 514 1HD2 ASN 69 HD2 ASN 69 -19.893 16.733 16.733 515 2HD2 ASN 69 HD2 ASN 69 -19.803 15.362 15.362 516 H GLY 70 H GLY 70 -18.050 17.154 17.154 517 1HA GLY 70 HA1 GLY 70 -16.244 16.037 16.037 518 2HA GLY 70 HA2 GLY 70 -16.437 17.780 17.780 519 H PHE 71 H PHE 71 -15.170 18.767 18.767 520 HA PHE 71 HA PHE 71 -13.201 19.044 19.044 521 1HB PHE 71 HB2 PHE 71 -13.927 16.642 16.642 522 2HB PHE 71 HB1 PHE 71 -12.620 16.108 16.108 523 HD1 PHE 71 HD1 PHE 71 -10.956 18.819 18.819 524 HD2 PHE 71 HD2 PHE 71 -12.725 15.637 15.637 525 HE1 PHE 71 HE1 PHE 71 -9.298 19.217 19.217 526 HE2 PHE 71 HE2 PHE 71 -11.062 16.043 16.043 527 HZ PHE 71 HZ PHE 71 -9.348 17.832 17.832 Start of MODEL 18 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.462 1.013 1.013 3 1HB ASP 1 HB2 ASP 1 3.611 -1.182 -1.182 4 2HB ASP 1 HB1 ASP 1 4.104 -0.424 -0.424 5 H TYR 2 H TYR 2 0.170 -1.722 -1.722 6 HA TYR 2 HA TYR 2 -1.095 -0.992 -0.992 7 1HB TYR 2 HB1 TYR 2 0.882 -1.877 -1.877 8 2HB TYR 2 HB2 TYR 2 0.864 -3.323 -3.323 9 HD1 TYR 2 HD2 TYR 2 -1.995 -1.690 -1.690 10 HD2 TYR 2 HD1 TYR 2 0.588 -5.139 -5.139 11 HE1 TYR 2 HE2 TYR 2 -3.352 -2.885 -2.885 12 HE2 TYR 2 HE1 TYR 2 -0.770 -6.332 -6.332 13 HH TYR 2 HH TYR 2 -3.238 -6.196 -6.196 14 H LYS 3 H LYS 3 -0.411 -4.364 -4.364 15 HA LYS 3 HA LYS 3 -2.846 -4.448 -4.448 16 1HB LYS 3 HB2 LYS 3 -3.977 -6.161 -6.161 17 2HB LYS 3 HB1 LYS 3 -3.865 -4.572 -4.572 18 1HG LYS 3 HG2 LYS 3 -2.866 -5.568 -5.568 19 2HG LYS 3 HG1 LYS 3 -1.504 -5.995 -5.995 20 1HD LYS 3 HD2 LYS 3 -2.480 -7.981 -7.981 21 2HD LYS 3 HD1 LYS 3 -2.611 -8.098 -8.098 22 1HE LYS 3 HE2 LYS 3 -4.695 -8.698 -8.698 23 2HE LYS 3 HE1 LYS 3 -4.936 -7.681 -7.681 24 1HZ LYS 3 HZ1 LYS 3 -4.607 -6.714 -6.714 25 2HZ LYS 3 HZ3 LYS 3 -6.043 -6.801 -6.801 26 3HZ LYS 3 HZ2 LYS 3 -4.848 -5.755 -5.755 27 H ASP 4 H ASP 4 -3.273 -7.089 -7.089 28 HA ASP 4 HA ASP 4 -2.431 -8.946 -8.946 29 1HB ASP 4 HB2 ASP 4 -1.335 -9.610 -9.610 30 2HB ASP 4 HB1 ASP 4 -0.195 -8.252 -8.252 31 H ASP 5 H ASP 5 0.703 -7.195 -7.195 32 HA ASP 5 HA ASP 5 2.170 -6.385 -6.385 33 1HB ASP 5 HB2 ASP 5 -0.271 -5.343 -5.343 34 2HB ASP 5 HB1 ASP 5 0.198 -6.208 -6.208 35 H ASP 6 H ASP 6 2.247 -6.636 -6.636 36 HA ASP 6 HA ASP 6 1.666 -9.241 -9.241 37 1HB ASP 6 HB2 ASP 6 4.299 -8.847 -8.847 38 2HB ASP 6 HB1 ASP 6 4.243 -9.835 -9.835 39 H ASP 7 H ASP 7 1.123 -7.307 -7.307 40 HA ASP 7 HA ASP 7 1.539 -6.157 -6.157 41 1HB ASP 7 HB2 ASP 7 3.594 -8.336 -8.336 42 2HB ASP 7 HB1 ASP 7 3.780 -6.996 -6.996 43 H LYS 8 H LYS 8 4.991 -6.892 -6.892 44 HA LYS 8 HA LYS 8 6.684 -5.558 -5.558 45 1HB LYS 8 HB2 LYS 8 4.440 -4.346 -4.346 46 2HB LYS 8 HB1 LYS 8 5.472 -3.046 -3.046 47 1HG LYS 8 HG2 LYS 8 6.143 -3.676 -3.676 48 2HG LYS 8 HG1 LYS 8 7.428 -4.071 -4.071 49 1HD LYS 8 HD2 LYS 8 7.393 -6.116 -6.116 50 2HD LYS 8 HD1 LYS 8 5.954 -6.396 -6.396 51 1HE LYS 8 HE2 LYS 8 4.502 -6.120 -6.120 52 2HE LYS 8 HE1 LYS 8 5.582 -4.989 -4.989 53 1HZ LYS 8 HZ1 LYS 8 5.995 -7.904 -7.904 54 2HZ LYS 8 HZ3 LYS 8 5.462 -7.105 -7.105 55 3HZ LYS 8 HZ2 LYS 8 7.003 -6.855 -6.855 56 H LEU 9 H LEU 9 4.576 -2.875 -2.875 57 HA LEU 9 HA LEU 9 6.160 -2.837 -2.837 58 1HB LEU 9 HB2 LEU 9 5.754 -0.527 -0.527 59 2HB LEU 9 HB1 LEU 9 6.286 -0.354 -0.354 60 HG LEU 9 HG LEU 9 7.724 -2.047 -2.047 61 1HD1 LEU 9 HD1 LEU 9 8.234 0.897 0.897 62 2HD1 LEU 9 HD1 LEU 9 9.311 -0.162 -0.162 63 3HD1 LEU 9 HD1 LEU 9 7.674 0.198 0.198 64 1HD2 LEU 9 HD2 LEU 9 8.297 -2.496 -2.496 65 2HD2 LEU 9 HD2 LEU 9 9.676 -1.717 -1.717 66 3HD2 LEU 9 HD2 LEU 9 8.645 -0.777 -0.777 67 H LYS 10 H LYS 10 3.578 -3.920 -3.920 68 HA LYS 10 HA LYS 10 1.402 -2.296 -2.296 69 1HB LYS 10 HB2 LYS 10 2.058 -5.023 -5.023 70 2HB LYS 10 HB1 LYS 10 1.039 -4.390 -4.390 71 1HG LYS 10 HG2 LYS 10 -0.048 -3.412 -3.412 72 2HG LYS 10 HG1 LYS 10 0.312 -5.130 -5.130 73 1HD LYS 10 HD2 LYS 10 -0.831 -5.125 -5.125 74 2HD LYS 10 HD1 LYS 10 -1.735 -3.837 -3.837 75 1HE LYS 10 HE2 LYS 10 -1.639 -5.850 -5.850 76 2HE LYS 10 HE1 LYS 10 -1.791 -6.767 -6.767 77 1HZ LYS 10 HZ1 LYS 10 -3.549 -4.554 -4.554 78 2HZ LYS 10 HZ3 LYS 10 -3.918 -6.182 -6.182 79 3HZ LYS 10 HZ2 LYS 10 -3.708 -5.418 -5.418 80 HA PRO 11 HA PRO 11 1.962 0.055 0.055 81 1HB PRO 11 HB2 PRO 11 -0.754 0.436 0.436 82 2HB PRO 11 HB1 PRO 11 0.111 1.385 1.385 83 1HG PRO 11 HG2 PRO 11 -1.908 -0.729 -0.729 84 2HG PRO 11 HG1 PRO 11 -1.350 0.500 0.500 85 1HD PRO 11 HD2 PRO 11 -0.675 -2.282 -2.282 86 2HD PRO 11 HD1 PRO 11 -0.045 -1.020 -1.020 87 H ASP 12 H ASP 12 2.936 -1.057 -1.057 88 HA ASP 12 HA ASP 12 1.840 -3.380 -3.380 89 1HB ASP 12 HB2 ASP 12 3.443 -2.625 -2.625 90 2HB ASP 12 HB1 ASP 12 4.113 -3.143 -3.143 91 H PHE 13 H PHE 13 1.487 0.112 0.112 92 HA PHE 13 HA PHE 13 0.474 0.123 0.123 93 1HB PHE 13 HB2 PHE 13 -0.416 2.230 2.230 94 2HB PHE 13 HB1 PHE 13 1.041 2.080 2.080 95 HD1 PHE 13 HD1 PHE 13 -2.683 1.471 1.471 96 HD2 PHE 13 HD2 PHE 13 0.998 2.631 2.631 97 HE1 PHE 13 HE1 PHE 13 -3.943 1.995 1.995 98 HE2 PHE 13 HE2 PHE 13 -0.271 3.153 3.153 99 HZ PHE 13 HZ PHE 13 -2.741 2.836 2.836 100 H CYS 14 H CYS 14 -0.951 -1.027 -1.027 101 HA CYS 14 HA CYS 14 -3.662 -0.952 -0.952 102 1HB CYS 14 HB2 CYS 14 -2.150 -2.522 -2.522 103 2HB CYS 14 HB1 CYS 14 -3.866 -2.846 -2.846 104 HG CYS 14 HG CYS 14 -4.338 0.117 0.117 105 H PHE 15 H PHE 15 -1.032 -3.358 -3.358 106 HA PHE 15 HA PHE 15 -2.787 -5.362 -5.362 107 1HB PHE 15 HB2 PHE 15 0.218 -5.346 -5.346 108 2HB PHE 15 HB1 PHE 15 -0.891 -6.705 -6.705 109 HD1 PHE 15 HD1 PHE 15 -2.562 -6.613 -6.613 110 HD2 PHE 15 HD2 PHE 15 1.495 -5.147 -5.147 111 HE1 PHE 15 HE1 PHE 15 -2.282 -6.858 -6.858 112 HE2 PHE 15 HE2 PHE 15 1.766 -5.395 -5.395 113 HZ PHE 15 HZ PHE 15 -0.120 -6.249 -6.249 114 H LEU 16 H LEU 16 -1.716 -2.355 -2.355 115 HA LEU 16 HA LEU 16 -0.714 -3.059 -3.059 116 1HB LEU 16 HB2 LEU 16 -0.238 -1.000 -1.000 117 2HB LEU 16 HB1 LEU 16 -1.765 -0.373 -0.373 118 HG LEU 16 HG LEU 16 0.343 -1.396 -1.396 119 1HD1 LEU 16 HD1 LEU 16 0.428 1.364 1.364 120 2HD1 LEU 16 HD1 LEU 16 1.412 0.851 0.851 121 3HD1 LEU 16 HD1 LEU 16 1.626 0.067 0.067 122 1HD2 LEU 16 HD2 LEU 16 -1.828 -0.760 -0.760 123 2HD2 LEU 16 HD2 LEU 16 -0.567 0.371 0.371 124 3HD2 LEU 16 HD2 LEU 16 -1.700 0.859 0.859 125 H GLU 17 H GLU 17 -1.800 -3.169 -3.169 126 HA GLU 17 HA GLU 17 -4.492 -3.887 -3.887 127 1HB GLU 17 HB2 GLU 17 -4.337 -3.191 -3.191 128 2HB GLU 17 HB1 GLU 17 -3.378 -4.554 -4.554 129 1HG GLU 17 HG2 GLU 17 -1.379 -3.332 -3.332 130 2HG GLU 17 HG1 GLU 17 -2.214 -1.770 -1.770 131 H GLU 18 H GLU 18 -6.459 -2.825 -2.825 132 HA GLU 18 HA GLU 18 -6.781 -0.282 -0.282 133 1HB GLU 18 HB2 GLU 18 -8.995 -0.400 -0.400 134 2HB GLU 18 HB1 GLU 18 -8.530 -2.112 -2.112 135 1HG GLU 18 HG2 GLU 18 -7.879 -1.543 -1.543 136 2HG GLU 18 HG1 GLU 18 -8.950 -0.147 -0.147 137 H ASP 19 H ASP 19 -6.636 1.821 1.821 138 HA ASP 19 HA ASP 19 -5.906 2.178 2.178 139 1HB ASP 19 HB2 ASP 19 -4.056 2.408 2.408 140 2HB ASP 19 HB1 ASP 19 -4.862 3.960 3.960 141 HA PRO 20 HA PRO 20 -9.334 4.966 4.966 142 1HB PRO 20 HB2 PRO 20 -10.078 5.004 5.004 143 2HB PRO 20 HB1 PRO 20 -10.664 3.812 3.812 144 1HG PRO 20 HG2 PRO 20 -8.705 3.512 3.512 145 2HG PRO 20 HG1 PRO 20 -9.605 2.275 2.275 146 1HD PRO 20 HD2 PRO 20 -6.851 2.989 2.989 147 2HD PRO 20 HD1 PRO 20 -7.793 1.831 1.831 148 H GLY 21 H GLY 21 -6.524 5.255 5.255 149 1HA GLY 21 HA1 GLY 21 -5.257 7.245 7.245 150 2HA GLY 21 HA2 GLY 21 -6.680 8.201 8.201 151 H ILE 22 H ILE 22 -6.341 9.624 9.624 152 HA ILE 22 HA ILE 22 -6.715 8.337 8.337 153 HB ILE 22 HB ILE 22 -6.324 11.183 11.183 154 1HG1 ILE 22 HG1 ILE 22 -4.425 9.495 9.495 155 2HG1 ILE 22 HG1 ILE 22 -5.072 11.111 11.111 156 1HG2 ILE 22 HG2 ILE 22 -4.739 8.837 8.837 157 2HG2 ILE 22 HG2 ILE 22 -4.464 10.553 10.553 158 3HG2 ILE 22 HG2 ILE 22 -5.998 9.769 9.769 159 1HD1 ILE 22 HD1 ILE 22 -3.053 10.429 10.429 160 2HD1 ILE 22 HD1 ILE 22 -2.682 11.215 11.215 161 3HD1 ILE 22 HD1 ILE 22 -3.681 12.050 12.050 162 H CYS 23 H CYS 23 -7.728 11.603 11.603 163 HA CYS 23 HA CYS 23 -9.923 12.031 12.031 164 1HB CYS 23 HB2 CYS 23 -10.637 12.409 12.409 165 2HB CYS 23 HB1 CYS 23 -10.441 13.590 13.590 166 HG CYS 23 HG CYS 23 -7.505 13.470 13.470 167 H ARG 24 H ARG 24 -11.473 10.685 10.685 168 HA ARG 24 HA ARG 24 -12.198 8.264 8.264 169 1HB ARG 24 HB2 ARG 24 -14.340 8.587 8.587 170 2HB ARG 24 HB1 ARG 24 -12.760 8.298 8.298 171 1HG ARG 24 HG2 ARG 24 -13.379 11.148 11.148 172 2HG ARG 24 HG1 ARG 24 -14.458 10.380 10.380 173 1HD ARG 24 HD2 ARG 24 -11.826 9.536 9.536 174 2HD ARG 24 HD1 ARG 24 -11.700 11.270 11.270 175 HE ARG 24 HE ARG 24 -14.000 10.937 10.937 176 1HH1 ARG 24 HH1 ARG 24 -10.514 10.390 10.390 177 2HH1 ARG 24 HH1 ARG 24 -10.449 10.640 10.640 178 1HH2 ARG 24 HH2 ARG 24 -13.938 11.273 11.273 179 2HH2 ARG 24 HH2 ARG 24 -12.404 11.144 11.144 180 H GLY 25 H GLY 25 -12.301 9.591 9.591 181 1HA GLY 25 HA1 GLY 25 -15.063 10.624 10.624 182 2HA GLY 25 HA2 GLY 25 -13.671 10.845 10.845 183 H TYR 26 H TYR 26 -15.982 8.394 8.394 184 HA TYR 26 HA TYR 26 -15.142 6.308 6.308 185 1HB TYR 26 HB1 TYR 26 -17.789 6.869 6.869 186 2HB TYR 26 HB2 TYR 26 -17.511 5.419 5.419 187 HD1 TYR 26 HD2 TYR 26 -14.353 5.797 5.797 188 HD2 TYR 26 HD1 TYR 26 -18.295 4.998 4.998 189 HE1 TYR 26 HE2 TYR 26 -13.336 4.659 4.659 190 HE2 TYR 26 HE1 TYR 26 -17.277 3.861 3.861 191 HH TYR 26 HH TYR 26 -15.081 2.712 2.712 192 H ILE 27 H ILE 27 -14.978 6.602 6.602 193 HA ILE 27 HA ILE 27 -17.383 7.722 7.722 194 HB ILE 27 HB ILE 27 -14.617 8.105 8.105 195 1HG1 ILE 27 HG1 ILE 27 -15.703 10.522 10.522 196 2HG1 ILE 27 HG1 ILE 27 -15.596 9.219 9.219 197 1HG2 ILE 27 HG2 ILE 27 -17.245 9.555 9.555 198 2HG2 ILE 27 HG2 ILE 27 -15.665 10.011 10.011 199 3HG2 ILE 27 HG2 ILE 27 -16.402 8.448 8.448 200 1HD1 ILE 27 HD1 ILE 27 -13.323 10.171 10.171 201 2HD1 ILE 27 HD1 ILE 27 -13.507 10.545 10.545 202 3HD1 ILE 27 HD1 ILE 27 -13.201 8.878 8.878 203 H THR 28 H THR 28 -18.289 6.401 6.401 204 HA THR 28 HA THR 28 -17.463 3.751 3.751 205 HB THR 28 HB THR 28 -19.110 5.367 5.367 206 HG1 THR 28 HG1 THR 28 -20.218 5.781 5.781 207 1HG2 THR 28 HG2 THR 28 -18.794 2.482 2.482 208 2HG2 THR 28 HG2 THR 28 -20.436 3.060 3.060 209 3HG2 THR 28 HG2 THR 28 -19.206 3.106 3.106 210 H ARG 29 H ARG 29 -15.175 3.697 3.697 211 HA ARG 29 HA ARG 29 -14.378 4.632 4.632 212 1HB ARG 29 HB2 ARG 29 -12.714 4.203 4.203 213 2HB ARG 29 HB1 ARG 29 -12.020 4.514 4.514 214 1HG ARG 29 HG2 ARG 29 -13.794 6.340 6.340 215 2HG ARG 29 HG1 ARG 29 -12.115 6.623 6.623 216 1HD ARG 29 HD2 ARG 29 -12.929 6.618 6.618 217 2HD ARG 29 HD1 ARG 29 -14.590 6.536 6.536 218 HE ARG 29 HE ARG 29 -14.468 8.774 8.774 219 1HH1 ARG 29 HH1 ARG 29 -11.243 7.520 7.520 220 2HH1 ARG 29 HH1 ARG 29 -10.446 9.096 9.096 221 1HH2 ARG 29 HH2 ARG 29 -13.432 10.876 10.876 222 2HH2 ARG 29 HH2 ARG 29 -11.696 11.013 11.013 223 H TYR 30 H TYR 30 -12.761 3.211 3.211 224 HA TYR 30 HA TYR 30 -13.260 0.379 0.379 225 1HB TYR 30 HB1 TYR 30 -12.798 1.493 1.493 226 2HB TYR 30 HB2 TYR 30 -13.071 -0.194 -0.194 227 HD1 TYR 30 HD1 TYR 30 -14.777 3.159 3.159 228 HD2 TYR 30 HD2 TYR 30 -15.213 -1.103 -1.103 229 HE1 TYR 30 HE1 TYR 30 -17.229 3.442 3.442 230 HE2 TYR 30 HE2 TYR 30 -17.666 -0.818 -0.818 231 HH TYR 30 HH TYR 30 -19.399 0.736 0.736 232 H PHE 31 H PHE 31 -11.514 -1.174 -1.174 233 HA PHE 31 HA PHE 31 -8.811 -0.067 -0.067 234 1HB PHE 31 HB2 PHE 31 -7.911 -0.337 -0.337 235 2HB PHE 31 HB1 PHE 31 -9.504 0.265 0.265 236 HD1 PHE 31 HD2 PHE 31 -11.351 -1.407 -1.407 237 HD2 PHE 31 HD1 PHE 31 -7.169 -2.479 -2.479 238 HE1 PHE 31 HE2 PHE 31 -11.768 -3.396 -3.396 239 HE2 PHE 31 HE1 PHE 31 -7.596 -4.465 -4.465 240 HZ PHE 31 HZ PHE 31 -9.893 -4.927 -4.927 241 H TYR 32 H TYR 32 -7.479 -1.645 -1.645 242 HA TYR 32 HA TYR 32 -8.789 -4.166 -4.166 243 1HB TYR 32 HB1 TYR 32 -7.049 -2.780 -2.780 244 2HB TYR 32 HB2 TYR 32 -5.841 -3.569 -3.569 245 HD1 TYR 32 HD1 TYR 32 -8.560 -4.243 -4.243 246 HD2 TYR 32 HD2 TYR 32 -5.166 -5.842 -5.842 247 HE1 TYR 32 HE1 TYR 32 -8.571 -6.241 -6.241 248 HE2 TYR 32 HE2 TYR 32 -5.179 -7.840 -7.840 249 HH TYR 32 HH TYR 32 -7.751 -8.519 -8.519 250 H ASN 33 H ASN 33 -9.004 -5.799 -5.799 251 HA ASN 33 HA ASN 33 -6.950 -6.041 -6.041 252 1HB ASN 33 HB2 ASN 33 -9.455 -5.924 -5.924 253 2HB ASN 33 HB1 ASN 33 -9.618 -7.493 -7.493 254 1HD2 ASN 33 HD2 ASN 33 -9.296 -8.270 -8.270 255 2HD2 ASN 33 HD2 ASN 33 -10.445 -7.545 -7.545 256 H ASN 34 H ASN 34 -5.341 -7.468 -7.468 257 HA ASN 34 HA ASN 34 -5.362 -9.348 -9.348 258 1HB ASN 34 HB2 ASN 34 -3.759 -9.728 -9.728 259 2HB ASN 34 HB1 ASN 34 -3.295 -10.119 -10.119 260 1HD2 ASN 34 HD2 ASN 34 -2.402 -6.546 -6.546 261 2HD2 ASN 34 HD2 ASN 34 -3.083 -7.942 -7.942 262 H GLN 35 H GLN 35 -6.425 -9.516 -9.516 263 HA GLN 35 HA GLN 35 -6.502 -12.273 -12.273 264 1HB GLN 35 HB2 GLN 35 -7.330 -10.106 -10.106 265 2HB GLN 35 HB1 GLN 35 -8.885 -10.840 -10.840 266 1HG GLN 35 HG2 GLN 35 -7.345 -13.035 -13.035 267 2HG GLN 35 HG1 GLN 35 -6.785 -11.780 -11.780 268 1HE2 GLN 35 HE2 GLN 35 -10.607 -13.369 -13.369 269 2HE2 GLN 35 HE2 GLN 35 -9.509 -13.638 -13.638 270 H THR 36 H THR 36 -8.530 -10.173 -10.173 271 HA THR 36 HA THR 36 -10.044 -12.600 -12.600 272 HB THR 36 HB THR 36 -12.031 -10.998 -10.998 273 HG1 THR 36 HG1 THR 36 -10.525 -9.193 -9.193 274 1HG2 THR 36 HG2 THR 36 -10.714 -11.532 -11.532 275 2HG2 THR 36 HG2 THR 36 -12.028 -10.340 -10.340 276 3HG2 THR 36 HG2 THR 36 -12.344 -12.012 -12.012 277 H LYS 37 H LYS 37 -7.518 -10.937 -10.937 278 HA LYS 37 HA LYS 37 -6.768 -9.874 -9.874 279 1HB LYS 37 HB2 LYS 37 -7.920 -12.497 -12.497 280 2HB LYS 37 HB1 LYS 37 -6.838 -11.478 -11.478 281 1HG LYS 37 HG2 LYS 37 -5.080 -12.433 -12.433 282 2HG LYS 37 HG1 LYS 37 -5.640 -11.729 -11.729 283 1HD LYS 37 HD2 LYS 37 -5.564 -14.024 -14.024 284 2HD LYS 37 HD1 LYS 37 -7.266 -13.791 -13.791 285 1HE LYS 37 HE2 LYS 37 -6.928 -14.748 -14.748 286 2HE LYS 37 HE1 LYS 37 -5.163 -14.609 -14.609 287 1HZ LYS 37 HZ1 LYS 37 -6.885 -16.369 -16.369 288 2HZ LYS 37 HZ3 LYS 37 -5.919 -16.847 -16.847 289 3HZ LYS 37 HZ2 LYS 37 -5.232 -16.257 -16.257 290 H GLN 38 H GLN 38 -9.007 -8.497 -8.497 291 HA GLN 38 HA GLN 38 -9.884 -7.560 -7.560 292 1HB GLN 38 HB2 GLN 38 -11.596 -9.011 -9.011 293 2HB GLN 38 HB1 GLN 38 -11.597 -9.528 -9.528 294 1HG GLN 38 HG2 GLN 38 -12.742 -7.369 -7.369 295 2HG GLN 38 HG1 GLN 38 -12.812 -6.971 -6.971 296 1HE2 GLN 38 HE2 GLN 38 -15.017 -10.194 -10.194 297 2HE2 GLN 38 HE2 GLN 38 -13.444 -9.753 -9.753 298 H CYS 39 H CYS 39 -11.395 -5.658 -5.658 299 HA CYS 39 HA CYS 39 -10.545 -4.110 -4.110 300 1HB CYS 39 HB2 CYS 39 -12.380 -3.656 -3.656 301 2HB CYS 39 HB1 CYS 39 -12.344 -2.502 -2.502 302 HG CYS 39 HG CYS 39 -9.986 -3.097 -3.097 303 H GLU 40 H GLU 40 -11.500 -3.818 -3.818 304 HA GLU 40 HA GLU 40 -14.248 -4.916 -4.916 305 1HB GLU 40 HB2 GLU 40 -12.267 -4.739 -4.739 306 2HB GLU 40 HB1 GLU 40 -13.741 -5.721 -5.721 307 1HG GLU 40 HG2 GLU 40 -11.325 -6.097 -6.097 308 2HG GLU 40 HG1 GLU 40 -11.522 -6.969 -6.969 309 H ARG 41 H ARG 41 -15.790 -3.667 -3.667 310 HA ARG 41 HA ARG 41 -15.215 -0.838 -0.838 311 1HB ARG 41 HB2 ARG 41 -17.544 -2.508 -2.508 312 2HB ARG 41 HB1 ARG 41 -17.651 -1.508 -1.508 313 1HG ARG 41 HG2 ARG 41 -17.664 0.493 0.493 314 2HG ARG 41 HG1 ARG 41 -16.861 -0.242 -0.242 315 1HD ARG 41 HD2 ARG 41 -18.848 -1.101 -1.101 316 2HD ARG 41 HD1 ARG 41 -19.569 -1.297 -1.297 317 HE ARG 41 HE ARG 41 -19.101 1.489 1.489 318 1HH1 ARG 41 HH1 ARG 41 -21.337 -1.253 -1.253 319 2HH1 ARG 41 HH1 ARG 41 -22.787 -0.270 -0.270 320 1HH2 ARG 41 HH2 ARG 41 -21.009 2.814 2.814 321 2HH2 ARG 41 HH2 ARG 41 -22.599 2.053 2.053 322 H PHE 42 H PHE 42 -14.131 0.117 0.117 323 HA PHE 42 HA PHE 42 -14.621 -0.882 -0.882 324 1HB PHE 42 HB2 PHE 42 -12.406 -1.019 -1.019 325 2HB PHE 42 HB1 PHE 42 -12.356 -1.471 -1.471 326 HD1 PHE 42 HD2 PHE 42 -11.965 0.466 0.466 327 HD2 PHE 42 HD1 PHE 42 -11.012 0.763 0.763 328 HE1 PHE 42 HE2 PHE 42 -10.372 2.311 2.311 329 HE2 PHE 42 HE1 PHE 42 -9.423 2.606 2.606 330 HZ PHE 42 HZ PHE 42 -9.099 3.383 3.383 331 H LYS 43 H LYS 43 -14.372 0.768 0.768 332 HA LYS 43 HA LYS 43 -15.495 3.250 3.250 333 1HB LYS 43 HB2 LYS 43 -14.886 1.873 1.873 334 2HB LYS 43 HB1 LYS 43 -14.283 3.538 3.538 335 1HG LYS 43 HG2 LYS 43 -16.506 3.754 3.754 336 2HG LYS 43 HG1 LYS 43 -16.626 4.179 4.179 337 1HD LYS 43 HD2 LYS 43 -18.406 2.659 2.659 338 2HD LYS 43 HD1 LYS 43 -17.123 1.648 1.648 339 1HE LYS 43 HE2 LYS 43 -16.501 0.876 0.876 340 2HE LYS 43 HE1 LYS 43 -17.728 1.940 1.940 341 1HZ LYS 43 HZ1 LYS 43 -18.247 -0.292 -0.292 342 2HZ LYS 43 HZ3 LYS 43 -18.502 -0.310 -0.310 343 3HZ LYS 43 HZ2 LYS 43 -19.404 0.688 0.688 344 H TYR 44 H TYR 44 -14.000 5.214 5.214 345 HA TYR 44 HA TYR 44 -11.274 5.139 5.139 346 1HB TYR 44 HB1 TYR 44 -12.402 5.776 5.776 347 2HB TYR 44 HB2 TYR 44 -13.387 6.963 6.963 348 HD1 TYR 44 HD2 TYR 44 -9.887 6.821 6.821 349 HD2 TYR 44 HD1 TYR 44 -12.638 8.623 8.623 350 HE1 TYR 44 HE2 TYR 44 -8.226 8.598 8.598 351 HE2 TYR 44 HE1 TYR 44 -10.977 10.399 10.399 352 HH TYR 44 HH TYR 44 -7.922 10.347 10.347 353 H GLY 45 H GLY 45 -11.977 5.200 5.200 354 1HA GLY 45 HA1 GLY 45 -12.530 7.732 7.732 355 2HA GLY 45 HA2 GLY 45 -11.662 6.401 6.401 356 H GLY 46 H GLY 46 -11.234 9.038 9.038 357 1HA GLY 46 HA1 GLY 46 -8.913 10.124 10.124 358 2HA GLY 46 HA2 GLY 46 -8.401 9.041 9.041 359 H CYS 47 H CYS 47 -7.766 11.693 11.693 360 HA CYS 47 HA CYS 47 -9.868 12.755 12.755 361 1HB CYS 47 HB2 CYS 47 -7.554 14.226 14.226 362 2HB CYS 47 HB1 CYS 47 -8.850 14.930 14.930 363 HG CYS 47 HG CYS 47 -10.797 14.869 14.869 364 H LEU 48 H LEU 48 -6.870 11.141 11.141 365 HA LEU 48 HA LEU 48 -6.477 11.754 11.754 366 1HB LEU 48 HB2 LEU 48 -5.026 13.216 13.216 367 2HB LEU 48 HB1 LEU 48 -4.207 11.752 11.752 368 HG LEU 48 HG LEU 48 -3.102 11.426 11.426 369 1HD1 LEU 48 HD1 LEU 48 -5.308 12.864 12.864 370 2HD1 LEU 48 HD1 LEU 48 -3.853 12.138 12.138 371 3HD1 LEU 48 HD1 LEU 48 -5.042 11.112 11.112 372 1HD2 LEU 48 HD2 LEU 48 -2.378 13.630 13.630 373 2HD2 LEU 48 HD2 LEU 48 -2.312 13.580 13.580 374 3HD2 LEU 48 HD2 LEU 48 -3.639 14.425 14.425 375 H GLY 49 H GLY 49 -4.759 9.889 9.889 376 1HA GLY 49 HA1 GLY 49 -4.534 7.593 7.593 377 2HA GLY 49 HA2 GLY 49 -5.710 7.338 7.338 378 H ASN 50 H ASN 50 -4.975 6.814 6.814 379 HA ASN 50 HA ASN 50 -2.350 7.538 7.538 380 1HB ASN 50 HB2 ASN 50 -1.568 5.125 5.125 381 2HB ASN 50 HB1 ASN 50 -1.515 5.761 5.761 382 1HD2 ASN 50 HD2 ASN 50 -2.942 2.423 2.423 383 2HD2 ASN 50 HD2 ASN 50 -1.406 3.233 3.233 384 H MET 51 H MET 51 -1.892 5.902 5.902 385 HA MET 51 HA MET 51 -3.955 6.445 6.445 386 1HB MET 51 HB2 MET 51 -1.580 4.575 4.575 387 2HB MET 51 HB1 MET 51 -2.732 4.502 4.502 388 1HG MET 51 HG2 MET 51 -2.138 6.616 6.616 389 2HG MET 51 HG1 MET 51 -1.673 7.197 7.197 390 1HE MET 51 HE1 MET 51 0.296 5.219 5.219 391 2HE MET 51 HE3 MET 51 1.867 5.733 5.733 392 3HE MET 51 HE2 MET 51 0.674 6.945 6.945 393 H ASN 52 H ASN 52 -3.250 3.546 3.546 394 HA ASN 52 HA ASN 52 -5.283 1.905 1.905 395 1HB ASN 52 HB2 ASN 52 -3.348 1.019 1.019 396 2HB ASN 52 HB1 ASN 52 -4.078 1.743 1.743 397 1HD2 ASN 52 HD2 ASN 52 -5.435 -1.775 -1.775 398 2HD2 ASN 52 HD2 ASN 52 -4.189 -0.764 -0.764 399 H ASN 53 H ASN 53 -6.757 4.039 4.039 400 HA ASN 53 HA ASN 53 -8.806 3.413 3.413 401 1HB ASN 53 HB2 ASN 53 -7.407 4.799 4.799 402 2HB ASN 53 HB1 ASN 53 -7.263 6.041 6.041 403 1HD2 ASN 53 HD2 ASN 53 -8.568 7.696 7.696 404 2HD2 ASN 53 HD2 ASN 53 -10.124 7.760 7.760 405 H PHE 54 H PHE 54 -9.122 3.173 3.173 406 HA PHE 54 HA PHE 54 -9.758 5.544 5.544 407 1HB PHE 54 HB2 PHE 54 -10.953 2.779 2.779 408 2HB PHE 54 HB1 PHE 54 -10.813 4.032 4.032 409 HD1 PHE 54 HD1 PHE 54 -8.908 1.475 1.475 410 HD2 PHE 54 HD2 PHE 54 -8.738 4.460 4.460 411 HE1 PHE 54 HE1 PHE 54 -6.722 0.567 0.567 412 HE2 PHE 54 HE2 PHE 54 -6.552 3.544 3.544 413 HZ PHE 54 HZ PHE 54 -5.542 1.597 1.597 414 H GLU 55 H GLU 55 -12.183 5.661 5.661 415 HA GLU 55 HA GLU 55 -13.961 5.668 5.668 416 1HB GLU 55 HB2 GLU 55 -14.398 7.667 7.667 417 2HB GLU 55 HB1 GLU 55 -14.752 7.787 7.787 418 1HG GLU 55 HG2 GLU 55 -12.286 7.934 7.934 419 2HG GLU 55 HG1 GLU 55 -12.001 7.906 7.906 420 H THR 56 H THR 56 -13.316 4.036 4.036 421 HA THR 56 HA THR 56 -16.119 3.246 3.246 422 HB THR 56 HB THR 56 -15.363 3.612 3.612 423 HG1 THR 56 HG1 THR 56 -14.667 5.885 5.885 424 1HG2 THR 56 HG2 THR 56 -17.027 5.137 5.137 425 2HG2 THR 56 HG2 THR 56 -16.641 5.954 5.954 426 3HG2 THR 56 HG2 THR 56 -17.549 4.430 4.430 427 H LEU 57 H LEU 57 -16.303 1.199 1.199 428 HA LEU 57 HA LEU 57 -14.050 -0.497 -0.497 429 1HB LEU 57 HB2 LEU 57 -16.434 -1.097 -1.097 430 2HB LEU 57 HB1 LEU 57 -16.565 -1.159 -1.159 431 HG LEU 57 HG LEU 57 -14.542 -2.820 -2.820 432 1HD1 LEU 57 HD1 LEU 57 -15.979 -3.107 -3.107 433 2HD1 LEU 57 HD1 LEU 57 -14.795 -4.269 -4.269 434 3HD1 LEU 57 HD1 LEU 57 -14.293 -2.615 -2.615 435 1HD2 LEU 57 HD2 LEU 57 -16.668 -3.401 -3.401 436 2HD2 LEU 57 HD2 LEU 57 -16.152 -4.728 -4.728 437 3HD2 LEU 57 HD2 LEU 57 -17.443 -3.620 -3.620 438 H GLU 58 H GLU 58 -15.720 0.570 0.570 439 HA GLU 58 HA GLU 58 -13.973 -0.760 -0.760 440 1HB GLU 58 HB2 GLU 58 -16.239 0.717 0.717 441 2HB GLU 58 HB1 GLU 58 -15.027 1.877 1.877 442 1HG GLU 58 HG2 GLU 58 -14.162 0.160 0.160 443 2HG GLU 58 HG1 GLU 58 -15.373 -0.993 -0.993 444 H GLU 59 H GLU 59 -13.716 2.330 2.330 445 HA GLU 59 HA GLU 59 -11.461 3.275 3.275 446 1HB GLU 59 HB2 GLU 59 -13.171 4.456 4.456 447 2HB GLU 59 HB1 GLU 59 -11.782 4.181 4.181 448 1HG GLU 59 HG2 GLU 59 -10.467 5.698 5.698 449 2HG GLU 59 HG1 GLU 59 -11.153 5.278 5.278 450 H CYS 60 H CYS 60 -11.864 1.615 1.615 451 HA CYS 60 HA CYS 60 -9.089 1.520 1.520 452 1HB CYS 60 HB2 CYS 60 -10.528 1.201 1.201 453 2HB CYS 60 HB1 CYS 60 -11.483 -0.022 -0.022 454 HG CYS 60 HG CYS 60 -8.691 -0.399 -0.399 455 H LYS 61 H LYS 61 -11.222 -0.447 -0.447 456 HA LYS 61 HA LYS 61 -9.300 -2.601 -2.601 457 1HB LYS 61 HB2 LYS 61 -11.955 -1.975 -1.975 458 2HB LYS 61 HB1 LYS 61 -10.932 -3.276 -3.276 459 1HG LYS 61 HG2 LYS 61 -10.824 -3.859 -3.859 460 2HG LYS 61 HG1 LYS 61 -12.417 -3.081 -3.081 461 1HD LYS 61 HD2 LYS 61 -13.201 -4.668 -4.668 462 2HD LYS 61 HD1 LYS 61 -11.564 -5.306 -5.306 463 1HE LYS 61 HE2 LYS 61 -12.955 -5.428 -5.428 464 2HE LYS 61 HE1 LYS 61 -13.183 -6.692 -6.692 465 1HZ LYS 61 HZ1 LYS 61 -10.594 -5.826 -5.826 466 2HZ LYS 61 HZ3 LYS 61 -11.423 -7.222 -7.222 467 3HZ LYS 61 HZ2 LYS 61 -10.799 -7.022 -7.022 468 H ASN 62 H ASN 62 -10.430 0.162 0.162 469 HA ASN 62 HA ASN 62 -8.919 -0.328 -0.328 470 1HB ASN 62 HB2 ASN 62 -10.559 1.678 1.678 471 2HB ASN 62 HB1 ASN 62 -9.006 2.478 2.478 472 1HD2 ASN 62 HD2 ASN 62 -10.304 1.561 1.561 473 2HD2 ASN 62 HD2 ASN 62 -11.035 0.859 0.859 474 H ILE 63 H ILE 63 -7.966 1.411 1.411 475 HA ILE 63 HA ILE 63 -5.294 1.860 1.860 476 HB ILE 63 HB ILE 63 -6.726 2.240 2.240 477 1HG1 ILE 63 HG1 ILE 63 -5.563 4.626 4.626 478 2HG1 ILE 63 HG1 ILE 63 -5.670 3.924 3.924 479 1HG2 ILE 63 HG2 ILE 63 -3.724 2.589 2.589 480 2HG2 ILE 63 HG2 ILE 63 -4.663 3.197 3.197 481 3HG2 ILE 63 HG2 ILE 63 -4.536 1.452 1.452 482 1HD1 ILE 63 HD1 ILE 63 -7.989 4.223 4.223 483 2HD1 ILE 63 HD1 ILE 63 -7.689 5.248 5.248 484 3HD1 ILE 63 HD1 ILE 63 -8.109 3.535 3.535 485 H CYS 64 H CYS 64 -6.768 -0.349 -0.349 486 HA CYS 64 HA CYS 64 -4.257 -1.767 -1.767 487 1HB CYS 64 HB2 CYS 64 -7.023 -2.513 -2.513 488 2HB CYS 64 HB1 CYS 64 -5.490 -3.233 -3.233 489 HG CYS 64 HG CYS 64 -7.054 -0.921 -0.921 490 H GLU 65 H GLU 65 -7.442 -3.333 -3.333 491 HA GLU 65 HA GLU 65 -6.638 -5.560 -5.560 492 1HB GLU 65 HB2 GLU 65 -9.033 -3.837 -3.837 493 2HB GLU 65 HB1 GLU 65 -8.751 -4.971 -4.971 494 1HG GLU 65 HG2 GLU 65 -8.273 -6.435 -6.435 495 2HG GLU 65 HG1 GLU 65 -9.733 -5.477 -5.477 496 H ASP 66 H ASP 66 -6.591 -2.285 -2.285 497 HA ASP 66 HA ASP 66 -5.044 -1.633 -1.633 498 1HB ASP 66 HB2 ASP 66 -3.851 -3.110 -3.110 499 2HB ASP 66 HB1 ASP 66 -4.203 -4.131 -4.131 500 H GLY 67 H GLY 67 -5.328 -1.212 -1.212 501 1HA GLY 67 HA1 GLY 67 -8.094 -1.866 -1.866 502 2HA GLY 67 HA2 GLY 67 -7.504 -0.192 -0.192 503 HA PRO 68 HA PRO 68 -6.115 -2.565 -2.565 504 1HB PRO 68 HB2 PRO 68 -8.060 -1.585 -1.585 505 2HB PRO 68 HB1 PRO 68 -8.155 -3.162 -3.162 506 1HG PRO 68 HG2 PRO 68 -9.665 -0.688 -0.688 507 2HG PRO 68 HG1 PRO 68 -10.019 -2.358 -2.358 508 1HD PRO 68 HD2 PRO 68 -8.997 -0.245 -0.245 509 2HD PRO 68 HD1 PRO 68 -9.256 -1.944 -1.944 510 H ASN 69 H ASN 69 -5.089 -1.667 -1.667 511 HA ASN 69 HA ASN 69 -3.687 -0.069 -0.069 512 1HB ASN 69 HB2 ASN 69 -5.919 1.923 1.923 513 2HB ASN 69 HB1 ASN 69 -4.737 1.941 1.941 514 1HD2 ASN 69 HD2 ASN 69 -8.219 -0.280 -0.280 515 2HD2 ASN 69 HD2 ASN 69 -7.656 0.546 0.546 516 H GLY 70 H GLY 70 -3.070 -0.552 -0.552 517 1HA GLY 70 HA1 GLY 70 -1.363 0.870 0.870 518 2HA GLY 70 HA2 GLY 70 -2.541 2.197 2.197 519 H PHE 71 H PHE 71 -3.228 2.551 2.551 520 HA PHE 71 HA PHE 71 -4.955 0.853 0.853 521 1HB PHE 71 HB2 PHE 71 -3.386 0.001 0.001 522 2HB PHE 71 HB1 PHE 71 -3.365 -0.849 -0.849 523 HD1 PHE 71 HD2 PHE 71 -1.560 2.098 2.098 524 HD2 PHE 71 HD1 PHE 71 -1.283 -1.509 -1.509 525 HE1 PHE 71 HE2 PHE 71 0.903 2.389 2.389 526 HE2 PHE 71 HE1 PHE 71 1.177 -1.210 -1.210 527 HZ PHE 71 HZ PHE 71 2.274 0.738 0.738 Start of MODEL 19 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.472 -0.318 -0.318 3 1HB ASP 1 HB2 ASP 1 3.731 1.372 1.372 4 2HB ASP 1 HB1 ASP 1 2.689 1.515 1.515 5 H TYR 2 H TYR 2 4.142 -0.290 -0.290 6 HA TYR 2 HA TYR 2 5.972 -1.571 -1.571 7 1HB TYR 2 HB1 TYR 2 5.508 -3.987 -3.987 8 2HB TYR 2 HB2 TYR 2 4.890 -3.537 -3.537 9 HD1 TYR 2 HD2 TYR 2 3.546 -2.187 -2.187 10 HD2 TYR 2 HD1 TYR 2 2.938 -4.947 -4.947 11 HE1 TYR 2 HE2 TYR 2 1.217 -2.576 -2.576 12 HE2 TYR 2 HE1 TYR 2 0.610 -5.335 -5.335 13 HH TYR 2 HH TYR 2 -0.961 -3.400 -3.400 14 H LYS 3 H LYS 3 5.184 -3.297 -3.297 15 HA LYS 3 HA LYS 3 7.679 -2.334 -2.334 16 1HB LYS 3 HB2 LYS 3 5.826 -4.548 -4.548 17 2HB LYS 3 HB1 LYS 3 6.459 -3.849 -3.849 18 1HG LYS 3 HG2 LYS 3 8.272 -4.525 -4.525 19 2HG LYS 3 HG1 LYS 3 7.812 -5.754 -5.754 20 1HD LYS 3 HD2 LYS 3 9.243 -3.115 -3.115 21 2HD LYS 3 HD1 LYS 3 9.962 -4.736 -4.736 22 1HE LYS 3 HE2 LYS 3 7.918 -3.471 -3.471 23 2HE LYS 3 HE1 LYS 3 9.490 -4.182 -4.182 24 1HZ LYS 3 HZ1 LYS 3 7.132 -5.656 -5.656 25 2HZ LYS 3 HZ3 LYS 3 7.672 -5.620 -5.620 26 3HZ LYS 3 HZ2 LYS 3 8.595 -6.333 -6.333 27 H ASP 4 H ASP 4 7.742 -0.306 -0.306 28 HA ASP 4 HA ASP 4 5.457 0.503 0.503 29 1HB ASP 4 HB2 ASP 4 6.524 2.858 2.858 30 2HB ASP 4 HB1 ASP 4 5.265 2.103 2.103 31 H ASP 5 H ASP 5 8.953 1.148 1.148 32 HA ASP 5 HA ASP 5 10.751 1.191 1.191 33 1HB ASP 5 HB2 ASP 5 8.918 1.037 1.037 34 2HB ASP 5 HB1 ASP 5 10.604 0.504 0.504 35 H ASP 6 H ASP 6 11.813 3.009 3.009 36 HA ASP 6 HA ASP 6 10.694 5.528 5.528 37 1HB ASP 6 HB2 ASP 6 13.025 5.445 5.445 38 2HB ASP 6 HB1 ASP 6 12.976 4.382 4.382 39 H ASP 7 H ASP 7 10.142 7.146 7.146 40 HA ASP 7 HA ASP 7 9.237 7.808 7.808 41 1HB ASP 7 HB2 ASP 7 10.489 5.632 5.632 42 2HB ASP 7 HB1 ASP 7 8.844 4.968 4.968 43 H LYS 8 H LYS 8 7.929 6.858 6.858 44 HA LYS 8 HA LYS 8 5.347 5.922 5.922 45 1HB LYS 8 HB2 LYS 8 6.813 5.374 5.374 46 2HB LYS 8 HB1 LYS 8 5.282 6.142 6.142 47 1HG LYS 8 HG2 LYS 8 4.413 4.408 4.408 48 2HG LYS 8 HG1 LYS 8 5.805 3.506 3.506 49 1HD LYS 8 HD2 LYS 8 4.299 2.769 2.769 50 2HD LYS 8 HD1 LYS 8 4.620 4.332 4.332 51 1HE LYS 8 HE2 LYS 8 2.609 5.262 5.262 52 2HE LYS 8 HE1 LYS 8 2.504 4.152 4.152 53 1HZ LYS 8 HZ1 LYS 8 2.123 3.424 3.424 54 2HZ LYS 8 HZ3 LYS 8 0.914 3.624 3.624 55 3HZ LYS 8 HZ2 LYS 8 2.006 2.382 2.382 56 H LEU 9 H LEU 9 6.035 8.054 8.054 57 HA LEU 9 HA LEU 9 4.255 10.052 10.052 58 1HB LEU 9 HB2 LEU 9 3.591 8.685 8.685 59 2HB LEU 9 HB1 LEU 9 4.566 9.927 9.927 60 HG LEU 9 HG LEU 9 3.145 11.639 11.639 61 1HD1 LEU 9 HD1 LEU 9 1.412 9.250 9.250 62 2HD1 LEU 9 HD1 LEU 9 0.916 10.960 10.960 63 3HD1 LEU 9 HD1 LEU 9 2.259 10.345 10.345 64 1HD2 LEU 9 HD2 LEU 9 2.754 11.038 11.038 65 2HD2 LEU 9 HD2 LEU 9 1.197 11.370 11.370 66 3HD2 LEU 9 HD2 LEU 9 1.699 9.697 9.697 67 H LYS 10 H LYS 10 7.185 9.738 9.738 68 HA LYS 10 HA LYS 10 9.007 11.050 11.050 69 1HB LYS 10 HB2 LYS 10 6.837 12.838 12.838 70 2HB LYS 10 HB1 LYS 10 8.004 13.572 13.572 71 1HG LYS 10 HG2 LYS 10 9.643 12.628 12.628 72 2HG LYS 10 HG1 LYS 10 8.187 13.088 13.088 73 1HD LYS 10 HD2 LYS 10 9.245 14.998 14.998 74 2HD LYS 10 HD1 LYS 10 10.148 14.840 14.840 75 1HE LYS 10 HE2 LYS 10 7.148 15.355 15.355 76 2HE LYS 10 HE1 LYS 10 8.344 16.665 16.665 77 1HZ LYS 10 HZ1 LYS 10 8.050 14.521 14.521 78 2HZ LYS 10 HZ3 LYS 10 7.543 16.104 16.104 79 3HZ LYS 10 HZ2 LYS 10 9.163 15.753 15.753 80 HA PRO 11 HA PRO 11 10.585 10.886 10.886 81 1HB PRO 11 HB2 PRO 11 12.889 12.484 12.484 82 2HB PRO 11 HB1 PRO 11 12.775 10.782 10.782 83 1HG PRO 11 HG2 PRO 11 12.774 13.221 13.221 84 2HG PRO 11 HG1 PRO 11 13.080 11.536 11.536 85 1HD PRO 11 HD2 PRO 11 10.706 13.064 13.064 86 2HD PRO 11 HD1 PRO 11 10.991 11.351 11.351 87 H ASP 12 H ASP 12 9.309 11.819 11.819 88 HA ASP 12 HA ASP 12 8.653 14.595 14.595 89 1HB ASP 12 HB2 ASP 12 7.369 12.833 12.833 90 2HB ASP 12 HB1 ASP 12 8.745 12.571 12.571 91 H PHE 13 H PHE 13 11.377 12.714 12.714 92 HA PHE 13 HA PHE 13 12.394 14.492 14.492 93 1HB PHE 13 HB2 PHE 13 14.415 13.323 13.323 94 2HB PHE 13 HB1 PHE 13 13.152 12.150 12.150 95 HD1 PHE 13 HD1 PHE 13 15.388 14.554 14.554 96 HD2 PHE 13 HD2 PHE 13 13.330 10.751 10.751 97 HE1 PHE 13 HE1 PHE 13 16.434 13.965 13.965 98 HE2 PHE 13 HE2 PHE 13 14.381 10.170 10.170 99 HZ PHE 13 HZ PHE 13 15.934 11.774 11.774 100 H CYS 14 H CYS 14 12.306 14.689 14.689 101 HA CYS 14 HA CYS 14 14.413 16.576 16.576 102 1HB CYS 14 HB2 CYS 14 12.049 15.791 15.791 103 2HB CYS 14 HB1 CYS 14 13.069 17.166 17.166 104 HG CYS 14 HG CYS 14 15.434 15.283 15.283 105 H PHE 15 H PHE 15 10.909 16.864 16.864 106 HA PHE 15 HA PHE 15 10.983 19.827 19.827 107 1HB PHE 15 HB2 PHE 15 8.719 18.201 18.201 108 2HB PHE 15 HB1 PHE 15 8.693 19.716 19.716 109 HD1 PHE 15 HD1 PHE 15 9.860 19.444 19.444 110 HD2 PHE 15 HD2 PHE 15 7.780 16.391 16.391 111 HE1 PHE 15 HE1 PHE 15 9.338 18.240 18.240 112 HE2 PHE 15 HE2 PHE 15 7.263 15.193 15.193 113 HZ PHE 15 HZ PHE 15 8.040 16.115 16.115 114 H LEU 16 H LEU 16 12.353 17.661 17.661 115 HA LEU 16 HA LEU 16 11.257 18.674 18.674 116 1HB LEU 16 HB2 LEU 16 12.213 16.337 16.337 117 2HB LEU 16 HB1 LEU 16 13.770 17.089 17.089 118 HG LEU 16 HG LEU 16 11.893 17.691 17.691 119 1HD1 LEU 16 HD1 LEU 16 12.035 14.717 14.717 120 2HD1 LEU 16 HD1 LEU 16 11.388 15.414 15.414 121 3HD1 LEU 16 HD1 LEU 16 10.590 15.748 15.748 122 1HD2 LEU 16 HD2 LEU 16 14.324 17.621 17.621 123 2HD2 LEU 16 HD2 LEU 16 13.530 16.495 16.495 124 3HD2 LEU 16 HD2 LEU 16 14.344 15.875 15.875 125 H GLU 17 H GLU 17 12.651 19.736 19.736 126 HA GLU 17 HA GLU 17 13.953 22.000 22.000 127 1HB GLU 17 HB2 GLU 17 14.378 21.187 21.187 128 2HB GLU 17 HB1 GLU 17 14.181 22.809 22.809 129 1HG GLU 17 HG2 GLU 17 11.777 21.877 21.877 130 2HG GLU 17 HG1 GLU 17 12.102 20.723 20.723 131 H GLU 18 H GLU 18 16.160 22.566 22.566 132 HA GLU 18 HA GLU 18 17.939 20.517 20.517 133 1HB GLU 18 HB2 GLU 18 19.556 22.160 22.160 134 2HB GLU 18 HB1 GLU 18 18.063 23.112 23.112 135 1HG GLU 18 HG2 GLU 18 18.472 23.205 23.205 136 2HG GLU 18 HG1 GLU 18 20.152 23.048 23.048 137 H ASP 19 H ASP 19 19.672 19.478 19.478 138 HA ASP 19 HA ASP 19 19.787 19.893 19.893 139 1HB ASP 19 HB2 ASP 19 18.434 18.005 18.005 140 2HB ASP 19 HB1 ASP 19 19.122 17.396 17.396 141 HA PRO 20 HA PRO 20 23.995 19.645 19.645 142 1HB PRO 20 HB2 PRO 20 25.021 21.214 21.214 143 2HB PRO 20 HB1 PRO 20 24.401 21.878 21.878 144 1HG PRO 20 HG2 PRO 20 23.203 21.885 21.885 145 2HG PRO 20 HG1 PRO 20 22.822 22.880 22.880 146 1HD PRO 20 HD2 PRO 20 21.329 20.659 20.659 147 2HD PRO 20 HD1 PRO 20 21.021 21.598 21.598 148 H GLY 21 H GLY 21 22.474 18.450 18.450 149 1HA GLY 21 HA1 GLY 21 23.034 16.458 16.458 150 2HA GLY 21 HA2 GLY 21 24.643 16.487 16.487 151 H ILE 22 H ILE 22 25.253 15.890 15.890 152 HA ILE 22 HA ILE 22 25.234 18.263 18.263 153 HB ILE 22 HB ILE 22 26.370 15.797 15.797 154 1HG1 ILE 22 HG1 ILE 22 23.601 15.848 15.848 155 2HG1 ILE 22 HG1 ILE 22 24.814 14.553 14.553 156 1HG2 ILE 22 HG2 ILE 22 24.182 17.681 17.681 157 2HG2 ILE 22 HG2 ILE 22 24.860 16.323 16.323 158 3HG2 ILE 22 HG2 ILE 22 25.890 17.693 17.693 159 1HD1 ILE 22 HD1 ILE 22 23.226 15.473 15.473 160 2HD1 ILE 22 HD1 ILE 22 22.926 13.992 13.992 161 3HD1 ILE 22 HD1 ILE 22 24.425 14.165 14.165 162 H CYS 23 H CYS 23 27.613 15.571 15.571 163 HA CYS 23 HA CYS 23 29.882 16.900 16.900 164 1HB CYS 23 HB2 CYS 23 31.022 15.499 15.499 165 2HB CYS 23 HB1 CYS 23 30.201 14.693 14.693 166 HG CYS 23 HG CYS 23 27.898 14.021 14.021 167 H ARG 24 H ARG 24 29.973 19.104 19.104 168 HA ARG 24 HA ARG 24 29.310 20.451 20.451 169 1HB ARG 24 HB2 ARG 24 31.458 21.871 21.871 170 2HB ARG 24 HB1 ARG 24 30.217 21.786 21.786 171 1HG ARG 24 HG2 ARG 24 31.709 20.884 20.884 172 2HG ARG 24 HG1 ARG 24 32.049 19.566 19.566 173 1HD ARG 24 HD2 ARG 24 33.940 20.611 20.611 174 2HD ARG 24 HD1 ARG 24 33.267 22.238 22.238 175 HE ARG 24 HE ARG 24 33.622 21.158 21.158 176 1HH1 ARG 24 HH1 ARG 24 35.620 21.979 21.979 177 2HH1 ARG 24 HH1 ARG 24 37.072 22.337 22.337 178 1HH2 ARG 24 HH2 ARG 24 35.535 21.628 21.628 179 2HH2 ARG 24 HH2 ARG 24 37.023 22.137 22.137 180 H GLY 25 H GLY 25 30.695 21.340 21.340 181 1HA GLY 25 HA1 GLY 25 32.992 20.650 20.650 182 2HA GLY 25 HA2 GLY 25 32.185 19.076 19.076 183 H TYR 26 H TYR 26 31.698 22.609 22.609 184 HA TYR 26 HA TYR 26 29.568 22.158 22.158 185 1HB TYR 26 HB1 TYR 26 31.635 24.405 24.405 186 2HB TYR 26 HB2 TYR 26 30.042 24.432 24.432 187 HD1 TYR 26 HD2 TYR 26 28.910 22.849 22.849 188 HD2 TYR 26 HD1 TYR 26 30.966 26.577 26.577 189 HE1 TYR 26 HE2 TYR 26 27.925 23.809 23.809 190 HE2 TYR 26 HE1 TYR 26 29.981 27.535 27.535 191 HH TYR 26 HH TYR 26 28.049 25.599 25.599 192 H ILE 27 H ILE 27 29.504 21.262 21.262 193 HA ILE 27 HA ILE 27 32.079 21.130 21.130 194 HB ILE 27 HB ILE 27 30.031 18.965 18.965 195 1HG1 ILE 27 HG1 ILE 27 32.243 18.062 18.062 196 2HG1 ILE 27 HG1 ILE 27 31.766 19.634 19.634 197 1HG2 ILE 27 HG2 ILE 27 32.990 19.046 19.046 198 2HG2 ILE 27 HG2 ILE 27 31.958 17.591 17.591 199 3HG2 ILE 27 HG2 ILE 27 31.622 18.970 18.970 200 1HD1 ILE 27 HD1 ILE 27 29.900 17.259 17.259 201 2HD1 ILE 27 HD1 ILE 27 30.538 17.779 17.779 202 3HD1 ILE 27 HD1 ILE 27 29.416 18.822 18.822 203 H THR 28 H THR 28 29.700 23.002 23.002 204 HA THR 28 HA THR 28 28.221 23.921 23.921 205 HB THR 28 HB THR 28 30.560 23.220 23.220 206 HG1 THR 28 HG1 THR 28 31.204 24.351 24.351 207 1HG2 THR 28 HG2 THR 28 28.113 25.004 25.004 208 2HG2 THR 28 HG2 THR 28 29.660 25.679 25.679 209 3HG2 THR 28 HG2 THR 28 29.010 24.226 24.226 210 H ARG 29 H ARG 29 26.619 22.190 22.190 211 HA ARG 29 HA ARG 29 26.440 20.307 20.307 212 1HB ARG 29 HB2 ARG 29 25.118 20.199 20.199 213 2HB ARG 29 HB1 ARG 29 24.854 19.025 19.025 214 1HG ARG 29 HG2 ARG 29 27.526 19.641 19.641 215 2HG ARG 29 HG1 ARG 29 26.515 18.222 18.222 216 1HD ARG 29 HD2 ARG 29 26.767 17.504 17.504 217 2HD ARG 29 HD1 ARG 29 27.764 18.935 18.935 218 HE ARG 29 HE ARG 29 29.542 17.993 17.993 219 1HH1 ARG 29 HH1 ARG 29 26.632 15.981 15.981 220 2HH1 ARG 29 HH1 ARG 29 27.449 14.544 14.544 221 1HH2 ARG 29 HH2 ARG 29 30.649 16.099 16.099 222 2HH2 ARG 29 HH2 ARG 29 29.744 14.612 14.612 223 H TYR 30 H TYR 30 24.087 19.816 19.816 224 HA TYR 30 HA TYR 30 22.594 22.404 22.404 225 1HB TYR 30 HB1 TYR 30 22.613 20.354 20.354 226 2HB TYR 30 HB2 TYR 30 21.737 21.875 21.875 227 HD1 TYR 30 HD1 TYR 30 25.315 20.716 20.716 228 HD2 TYR 30 HD2 TYR 30 22.631 23.664 23.664 229 HE1 TYR 30 HE1 TYR 30 27.244 21.898 21.898 230 HE2 TYR 30 HE2 TYR 30 24.562 24.846 24.846 231 HH TYR 30 HH TYR 30 27.948 23.814 23.814 232 H PHE 31 H PHE 31 20.187 22.207 22.207 233 HA PHE 31 HA PHE 31 19.023 19.575 19.575 234 1HB PHE 31 HB2 PHE 31 18.328 20.094 20.094 235 2HB PHE 31 HB1 PHE 31 19.970 20.714 20.714 236 HD1 PHE 31 HD2 PHE 31 20.334 23.244 23.244 237 HD2 PHE 31 HD1 PHE 31 16.518 21.551 21.551 238 HE1 PHE 31 HE2 PHE 31 19.538 25.492 25.492 239 HE2 PHE 31 HE1 PHE 31 15.730 23.802 23.802 240 HZ PHE 31 HZ PHE 31 17.236 25.775 25.775 241 H TYR 32 H TYR 32 16.796 19.501 19.501 242 HA TYR 32 HA TYR 32 15.909 21.714 21.714 243 1HB TYR 32 HB1 TYR 32 15.494 19.143 19.143 244 2HB TYR 32 HB2 TYR 32 14.223 19.345 19.345 245 HD1 TYR 32 HD1 TYR 32 15.289 20.327 20.327 246 HD2 TYR 32 HD2 TYR 32 12.119 20.421 20.421 247 HE1 TYR 32 HE1 TYR 32 13.690 21.065 21.065 248 HE2 TYR 32 HE2 TYR 32 10.522 21.159 21.159 249 HH TYR 32 HH TYR 32 10.195 21.388 21.388 250 H ASN 33 H ASN 33 15.101 23.555 23.555 251 HA ASN 33 HA ASN 33 13.783 23.416 23.416 252 1HB ASN 33 HB2 ASN 33 15.481 25.156 25.156 253 2HB ASN 33 HB1 ASN 33 14.768 25.724 25.724 254 1HD2 ASN 33 HD2 ASN 33 13.456 28.233 28.233 255 2HD2 ASN 33 HD2 ASN 33 14.806 27.793 27.793 256 H ASN 34 H ASN 34 11.607 23.339 23.339 257 HA ASN 34 HA ASN 34 9.942 23.477 23.477 258 1HB ASN 34 HB2 ASN 34 9.142 22.249 22.249 259 2HB ASN 34 HB1 ASN 34 9.384 23.641 23.641 260 1HD2 ASN 34 HD2 ASN 34 6.012 24.466 24.466 261 2HD2 ASN 34 HD2 ASN 34 7.426 24.114 24.114 262 H GLN 35 H GLN 35 10.952 25.858 25.858 263 HA GLN 35 HA GLN 35 9.051 27.846 27.846 264 1HB GLN 35 HB2 GLN 35 11.360 27.607 27.607 265 2HB GLN 35 HB1 GLN 35 11.623 29.034 29.034 266 1HG GLN 35 HG2 GLN 35 8.962 29.293 29.293 267 2HG GLN 35 HG1 GLN 35 9.720 28.598 28.598 268 1HE2 GLN 35 HE2 GLN 35 9.856 32.459 32.459 269 2HE2 GLN 35 HE2 GLN 35 8.589 31.294 31.294 270 H THR 36 H THR 36 11.691 26.592 26.592 271 HA THR 36 HA THR 36 11.308 28.815 28.815 272 HB THR 36 HB THR 36 13.919 27.655 27.655 273 HG1 THR 36 HG1 THR 36 14.191 29.967 29.967 274 1HG2 THR 36 HG2 THR 36 13.232 28.779 28.779 275 2HG2 THR 36 HG2 THR 36 14.687 29.403 29.403 276 3HG2 THR 36 HG2 THR 36 14.559 27.670 27.670 277 H LYS 37 H LYS 37 10.489 25.763 25.763 278 HA LYS 37 HA LYS 37 10.413 23.793 23.793 279 1HB LYS 37 HB2 LYS 37 9.221 25.944 25.944 280 2HB LYS 37 HB1 LYS 37 9.217 24.257 24.257 281 1HG LYS 37 HG2 LYS 37 7.451 23.828 23.828 282 2HG LYS 37 HG1 LYS 37 8.399 24.315 24.315 283 1HD LYS 37 HD2 LYS 37 6.622 26.032 26.032 284 2HD LYS 37 HD1 LYS 37 6.455 25.721 25.721 285 1HE LYS 37 HE2 LYS 37 8.898 26.821 26.821 286 2HE LYS 37 HE1 LYS 37 8.344 27.556 27.556 287 1HZ LYS 37 HZ1 LYS 37 6.946 27.691 27.691 288 2HZ LYS 37 HZ3 LYS 37 7.837 28.916 28.916 289 3HZ LYS 37 HZ2 LYS 37 6.428 28.395 28.395 290 H GLN 38 H GLN 38 13.065 24.628 24.628 291 HA GLN 38 HA GLN 38 13.966 23.406 23.406 292 1HB GLN 38 HB2 GLN 38 14.057 26.305 26.305 293 2HB GLN 38 HB1 GLN 38 15.682 25.622 25.622 294 1HG GLN 38 HG2 GLN 38 15.201 25.712 25.712 295 2HG GLN 38 HG1 GLN 38 14.267 24.235 24.235 296 1HE2 GLN 38 HE2 GLN 38 11.802 26.160 26.160 297 2HE2 GLN 38 HE2 GLN 38 13.158 25.046 25.046 298 H CYS 39 H CYS 39 16.724 24.071 24.071 299 HA CYS 39 HA CYS 39 17.289 22.849 22.849 300 1HB CYS 39 HB2 CYS 39 18.660 22.666 22.666 301 2HB CYS 39 HB1 CYS 39 19.508 22.261 22.261 302 HG CYS 39 HG CYS 39 16.996 20.557 20.557 303 H GLU 40 H GLU 40 18.347 24.050 24.050 304 HA GLU 40 HA GLU 40 19.725 26.483 26.483 305 1HB GLU 40 HB2 GLU 40 17.744 26.133 26.133 306 2HB GLU 40 HB1 GLU 40 19.252 26.724 26.724 307 1HG GLU 40 HG2 GLU 40 18.548 28.069 28.069 308 2HG GLU 40 HG1 GLU 40 17.322 28.279 28.279 309 H ARG 41 H ARG 41 21.805 26.991 26.991 310 HA ARG 41 HA ARG 41 23.326 24.674 24.674 311 1HB ARG 41 HB2 ARG 41 23.873 27.260 27.260 312 2HB ARG 41 HB1 ARG 41 24.824 27.101 27.101 313 1HG ARG 41 HG2 ARG 41 26.077 25.341 25.341 314 2HG ARG 41 HG1 ARG 41 24.756 24.753 24.753 315 1HD ARG 41 HD2 ARG 41 26.790 25.820 25.820 316 2HD ARG 41 HD1 ARG 41 25.188 26.417 26.417 317 HE ARG 41 HE ARG 41 26.396 27.903 27.903 318 1HH1 ARG 41 HH1 ARG 41 26.196 27.560 27.560 319 2HH1 ARG 41 HH1 ARG 41 26.669 29.226 29.226 320 1HH2 ARG 41 HH2 ARG 41 27.025 30.119 30.119 321 2HH2 ARG 41 HH2 ARG 41 27.143 30.688 30.688 322 H PHE 42 H PHE 42 23.371 23.944 23.944 323 HA PHE 42 HA PHE 42 23.344 25.977 25.977 324 1HB PHE 42 HB2 PHE 42 21.749 24.834 24.834 325 2HB PHE 42 HB1 PHE 42 21.201 24.520 24.520 326 HD1 PHE 42 HD2 PHE 42 22.053 22.313 22.313 327 HD2 PHE 42 HD1 PHE 42 22.117 22.990 22.990 328 HE1 PHE 42 HE2 PHE 42 22.161 19.861 19.861 329 HE2 PHE 42 HE1 PHE 42 22.225 20.538 20.538 330 HZ PHE 42 HZ PHE 42 22.246 18.970 18.970 331 H LYS 43 H LYS 43 24.648 25.458 25.458 332 HA LYS 43 HA LYS 43 26.985 23.959 23.959 333 1HB LYS 43 HB2 LYS 43 26.020 25.624 25.624 334 2HB LYS 43 HB1 LYS 43 27.095 24.310 24.310 335 1HG LYS 43 HG2 LYS 43 28.699 25.878 25.878 336 2HG LYS 43 HG1 LYS 43 28.488 25.171 25.171 337 1HD LYS 43 HD2 LYS 43 28.394 27.563 27.563 338 2HD LYS 43 HD1 LYS 43 26.731 26.966 26.966 339 1HE LYS 43 HE2 LYS 43 26.256 27.593 27.593 340 2HE LYS 43 HE1 LYS 43 27.943 28.094 28.094 341 1HZ LYS 43 HZ1 LYS 43 26.026 29.288 29.288 342 2HZ LYS 43 HZ3 LYS 43 26.505 29.948 29.948 343 3HZ LYS 43 HZ2 LYS 43 27.598 29.775 29.775 344 H TYR 44 H TYR 44 27.833 22.041 22.041 345 HA TYR 44 HA TYR 44 25.557 20.365 20.365 346 1HB TYR 44 HB1 TYR 44 26.090 19.645 19.645 347 2HB TYR 44 HB2 TYR 44 27.804 19.580 19.580 348 HD1 TYR 44 HD2 TYR 44 25.442 18.338 18.338 349 HD2 TYR 44 HD1 TYR 44 27.916 17.231 17.231 350 HE1 TYR 44 HE2 TYR 44 25.250 15.949 15.949 351 HE2 TYR 44 HE1 TYR 44 27.723 14.844 14.844 352 HH TYR 44 HH TYR 44 27.160 13.406 13.406 353 H GLY 45 H GLY 45 26.634 21.578 21.578 354 1HA GLY 45 HA1 GLY 45 29.182 20.584 20.584 355 2HA GLY 45 HA2 GLY 45 27.959 21.436 21.436 356 H GLY 46 H GLY 46 28.263 18.262 18.262 357 1HA GLY 46 HA1 GLY 46 27.818 16.779 16.779 358 2HA GLY 46 HA2 GLY 46 26.478 16.692 16.692 359 H CYS 47 H CYS 47 27.504 14.296 14.296 360 HA CYS 47 HA CYS 47 29.212 13.836 13.836 361 1HB CYS 47 HB2 CYS 47 29.572 12.160 12.160 362 2HB CYS 47 HB1 CYS 47 30.669 12.413 12.413 363 HG CYS 47 HG CYS 47 31.218 13.641 13.641 364 H LEU 48 H LEU 48 26.239 13.647 13.647 365 HA LEU 48 HA LEU 48 25.786 11.140 11.140 366 1HB LEU 48 HB2 LEU 48 26.226 10.471 10.471 367 2HB LEU 48 HB1 LEU 48 24.781 11.386 11.386 368 HG LEU 48 HG LEU 48 23.592 9.894 9.894 369 1HD1 LEU 48 HD1 LEU 48 26.043 8.181 8.181 370 2HD1 LEU 48 HD1 LEU 48 24.551 7.606 7.606 371 3HD1 LEU 48 HD1 LEU 48 25.554 8.849 8.849 372 1HD2 LEU 48 HD2 LEU 48 23.107 9.804 9.804 373 2HD2 LEU 48 HD2 LEU 48 23.135 8.152 8.152 374 3HD2 LEU 48 HD2 LEU 48 24.510 8.752 8.752 375 H GLY 49 H GLY 49 23.896 13.146 13.146 376 1HA GLY 49 HA1 GLY 49 21.924 14.308 14.308 377 2HA GLY 49 HA2 GLY 49 22.552 14.768 14.768 378 H ASN 50 H ASN 50 19.884 14.518 14.518 379 HA ASN 50 HA ASN 50 19.042 11.764 11.764 380 1HB ASN 50 HB2 ASN 50 16.871 12.913 12.913 381 2HB ASN 50 HB1 ASN 50 17.414 13.250 13.250 382 1HD2 ASN 50 HD2 ASN 50 16.436 16.545 16.545 383 2HD2 ASN 50 HD2 ASN 50 15.813 15.029 15.029 384 H MET 51 H MET 51 17.449 11.721 11.721 385 HA MET 51 HA MET 51 19.111 11.467 11.467 386 1HB MET 51 HB2 MET 51 16.166 11.800 11.800 387 2HB MET 51 HB1 MET 51 16.767 12.043 12.043 388 1HG MET 51 HG2 MET 51 16.126 9.691 9.691 389 2HG MET 51 HG1 MET 51 17.888 9.799 9.799 390 1HE MET 51 HE1 MET 51 18.710 7.672 7.672 391 2HE MET 51 HE3 MET 51 17.957 6.966 6.966 392 3HE MET 51 HE2 MET 51 17.021 7.129 7.129 393 H ASN 52 H ASN 52 16.946 14.264 14.264 394 HA ASN 52 HA ASN 52 17.596 15.903 15.903 395 1HB ASN 52 HB2 ASN 52 15.848 16.477 16.477 396 2HB ASN 52 HB1 ASN 52 17.092 16.690 16.690 397 1HD2 ASN 52 HD2 ASN 52 16.080 19.654 19.654 398 2HD2 ASN 52 HD2 ASN 52 15.276 18.085 18.085 399 H ASN 53 H ASN 53 19.802 15.735 15.735 400 HA ASN 53 HA ASN 53 21.550 17.672 17.672 401 1HB ASN 53 HB2 ASN 53 21.975 16.665 16.665 402 2HB ASN 53 HB1 ASN 53 21.740 15.024 15.024 403 1HD2 ASN 53 HD2 ASN 53 25.233 16.897 16.897 404 2HD2 ASN 53 HD2 ASN 53 23.644 17.653 17.653 405 H PHE 54 H PHE 54 21.973 17.850 17.850 406 HA PHE 54 HA PHE 54 23.280 15.482 15.482 407 1HB PHE 54 HB2 PHE 54 22.116 17.983 17.983 408 2HB PHE 54 HB1 PHE 54 22.695 16.544 16.544 409 HD1 PHE 54 HD2 PHE 54 21.404 14.434 14.434 410 HD2 PHE 54 HD1 PHE 54 19.882 17.992 17.992 411 HE1 PHE 54 HE2 PHE 54 19.130 13.433 13.433 412 HE2 PHE 54 HE1 PHE 54 17.612 16.983 16.983 413 HZ PHE 54 HZ PHE 54 17.232 14.705 14.705 414 H GLU 55 H GLU 55 25.086 16.073 16.073 415 HA GLU 55 HA GLU 55 26.794 18.082 18.082 416 1HB GLU 55 HB2 GLU 55 27.646 16.003 16.003 417 2HB GLU 55 HB1 GLU 55 28.687 16.958 16.958 418 1HG GLU 55 HG2 GLU 55 27.546 15.834 15.834 419 2HG GLU 55 HG1 GLU 55 26.688 14.800 14.800 420 H THR 56 H THR 56 25.253 17.203 17.203 421 HA THR 56 HA THR 56 26.287 19.763 19.763 422 HB THR 56 HB THR 56 25.675 18.284 18.284 423 HG1 THR 56 HG1 THR 56 26.115 16.153 16.153 424 1HG2 THR 56 HG2 THR 56 28.134 18.427 18.427 425 2HG2 THR 56 HG2 THR 56 28.105 17.184 17.184 426 3HG2 THR 56 HG2 THR 56 27.975 18.896 18.896 427 H LEU 57 H LEU 57 24.788 21.054 21.054 428 HA LEU 57 HA LEU 57 22.177 21.064 21.064 429 1HB LEU 57 HB2 LEU 57 23.389 23.012 23.012 430 2HB LEU 57 HB1 LEU 57 23.208 22.413 22.413 431 HG LEU 57 HG LEU 57 20.658 22.439 22.439 432 1HD1 LEU 57 HD1 LEU 57 21.831 24.615 24.615 433 2HD1 LEU 57 HD1 LEU 57 20.097 24.422 24.422 434 3HD1 LEU 57 HD1 LEU 57 20.958 23.163 23.163 435 1HD2 LEU 57 HD2 LEU 57 21.595 23.657 23.657 436 2HD2 LEU 57 HD2 LEU 57 20.452 24.705 24.705 437 3HD2 LEU 57 HD2 LEU 57 22.201 24.934 24.934 438 H GLU 58 H GLU 58 23.398 20.100 20.100 439 HA GLU 58 HA GLU 58 20.951 19.353 19.353 440 1HB GLU 58 HB2 GLU 58 23.477 19.342 19.342 441 2HB GLU 58 HB1 GLU 58 23.305 17.606 17.606 442 1HG GLU 58 HG2 GLU 58 21.253 17.558 17.558 443 2HG GLU 58 HG1 GLU 58 21.417 19.299 19.299 444 H GLU 59 H GLU 59 23.257 17.387 17.387 445 HA GLU 59 HA GLU 59 21.866 14.972 14.972 446 1HB GLU 59 HB2 GLU 59 23.851 14.634 14.634 447 2HB GLU 59 HB1 GLU 59 23.823 16.226 16.226 448 1HG GLU 59 HG2 GLU 59 22.119 15.382 15.382 449 2HG GLU 59 HG1 GLU 59 22.162 13.797 13.797 450 H CYS 60 H CYS 60 21.514 17.711 17.711 451 HA CYS 60 HA CYS 60 19.480 16.523 16.523 452 1HB CYS 60 HB2 CYS 60 20.543 18.394 18.394 453 2HB CYS 60 HB1 CYS 60 20.261 19.364 19.364 454 HG CYS 60 HG CYS 60 18.143 18.732 18.732 455 H LYS 61 H LYS 61 19.441 18.076 18.076 456 HA LYS 61 HA LYS 61 16.563 18.396 18.396 457 1HB LYS 61 HB2 LYS 61 18.570 18.583 18.583 458 2HB LYS 61 HB1 LYS 61 16.870 19.087 19.087 459 1HG LYS 61 HG2 LYS 61 17.928 20.331 20.331 460 2HG LYS 61 HG1 LYS 61 19.195 20.492 20.492 461 1HD LYS 61 HD2 LYS 61 17.907 21.870 21.870 462 2HD LYS 61 HD1 LYS 61 16.394 21.057 21.057 463 1HE LYS 61 HE2 LYS 61 17.836 22.611 22.611 464 2HE LYS 61 HE1 LYS 61 17.013 23.536 23.536 465 1HZ LYS 61 HZ1 LYS 61 15.783 21.453 21.453 466 2HZ LYS 61 HZ3 LYS 61 15.587 23.104 23.104 467 3HZ LYS 61 HZ2 LYS 61 15.000 22.326 22.326 468 H ASN 62 H ASN 62 18.958 16.164 16.164 469 HA ASN 62 HA ASN 62 17.185 14.557 14.557 470 1HB ASN 62 HB2 ASN 62 19.843 14.465 14.465 471 2HB ASN 62 HB1 ASN 62 19.369 13.232 13.232 472 1HD2 ASN 62 HD2 ASN 62 19.207 12.600 12.600 473 2HD2 ASN 62 HD2 ASN 62 19.592 14.163 14.163 474 H ILE 63 H ILE 63 18.219 14.252 14.252 475 HA ILE 63 HA ILE 63 16.496 11.999 11.999 476 HB ILE 63 HB ILE 63 18.127 13.804 13.804 477 1HG1 ILE 63 HG1 ILE 63 18.877 11.230 11.230 478 2HG1 ILE 63 HG1 ILE 63 18.301 11.055 11.055 479 1HG2 ILE 63 HG2 ILE 63 16.237 11.658 11.658 480 2HG2 ILE 63 HG2 ILE 63 17.510 12.463 12.463 481 3HG2 ILE 63 HG2 ILE 63 16.148 13.402 13.402 482 1HD1 ILE 63 HD1 ILE 63 20.377 13.083 13.083 483 2HD1 ILE 63 HD1 ILE 63 20.719 11.582 11.582 484 3HD1 ILE 63 HD1 ILE 63 19.820 12.903 12.903 485 H CYS 64 H CYS 64 16.353 15.497 15.497 486 HA CYS 64 HA CYS 64 13.630 15.167 15.167 487 1HB CYS 64 HB2 CYS 64 15.188 17.708 17.708 488 2HB CYS 64 HB1 CYS 64 13.698 17.532 17.532 489 HG CYS 64 HG CYS 64 16.661 17.586 17.586 490 H GLU 65 H GLU 65 14.630 17.870 17.870 491 HA GLU 65 HA GLU 65 12.409 18.336 18.336 492 1HB GLU 65 HB2 GLU 65 15.252 18.283 18.283 493 2HB GLU 65 HB1 GLU 65 14.024 18.404 18.404 494 1HG GLU 65 HG2 GLU 65 13.172 20.200 20.200 495 2HG GLU 65 HG1 GLU 65 14.934 20.409 20.409 496 H ASP 66 H ASP 66 14.503 15.479 15.479 497 HA ASP 66 HA ASP 66 13.979 13.446 13.446 498 1HB ASP 66 HB2 ASP 66 11.821 12.696 12.696 499 2HB ASP 66 HB1 ASP 66 11.641 14.078 14.078 500 H GLY 67 H GLY 67 12.161 16.139 16.139 501 1HA GLY 67 HA1 GLY 67 13.392 15.247 15.247 502 2HA GLY 67 HA2 GLY 67 11.700 15.767 15.767 503 HA PRO 68 HA PRO 68 14.384 19.644 19.644 504 1HB PRO 68 HB2 PRO 68 17.176 19.318 19.318 505 2HB PRO 68 HB1 PRO 68 16.313 19.256 19.256 506 1HG PRO 68 HG2 PRO 68 17.499 17.082 17.082 507 2HG PRO 68 HG1 PRO 68 17.016 17.112 17.112 508 1HD PRO 68 HD2 PRO 68 15.630 15.873 15.873 509 2HD PRO 68 HD1 PRO 68 15.110 16.003 16.003 510 H ASN 69 H ASN 69 13.213 18.984 18.984 511 HA ASN 69 HA ASN 69 13.091 19.658 19.658 512 1HB ASN 69 HB2 ASN 69 14.730 21.566 21.566 513 2HB ASN 69 HB1 ASN 69 15.848 20.815 20.815 514 1HD2 ASN 69 HD2 ASN 69 12.271 22.410 22.410 515 2HD2 ASN 69 HD2 ASN 69 12.345 21.514 21.514 516 H GLY 70 H GLY 70 14.458 17.146 17.146 517 1HA GLY 70 HA1 GLY 70 14.968 15.693 15.693 518 2HA GLY 70 HA2 GLY 70 16.466 16.642 16.642 519 H PHE 71 H PHE 71 15.138 13.728 13.728 520 HA PHE 71 HA PHE 71 17.321 13.026 13.026 521 1HB PHE 71 HB2 PHE 71 16.348 14.033 14.033 522 2HB PHE 71 HB1 PHE 71 14.722 13.909 13.909 523 HD1 PHE 71 HD1 PHE 71 13.592 11.554 11.554 524 HD2 PHE 71 HD2 PHE 71 17.087 12.472 12.472 525 HE1 PHE 71 HE1 PHE 71 13.133 9.585 9.585 526 HE2 PHE 71 HE2 PHE 71 16.620 10.499 10.499 527 HZ PHE 71 HZ PHE 71 14.645 9.054 9.054 Start of MODEL 20 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.628 -0.655 -0.655 3 1HB ASP 1 HB2 ASP 1 2.635 1.315 1.315 4 2HB ASP 1 HB1 ASP 1 1.243 1.833 1.833 5 H TYR 2 H TYR 2 2.791 -1.957 -1.957 6 HA TYR 2 HA TYR 2 5.673 -1.333 -1.333 7 1HB TYR 2 HB1 TYR 2 4.782 -1.674 -1.674 8 2HB TYR 2 HB2 TYR 2 4.153 -3.250 -3.250 9 HD1 TYR 2 HD2 TYR 2 7.372 -1.357 -1.357 10 HD2 TYR 2 HD1 TYR 2 5.461 -5.230 -5.230 11 HE1 TYR 2 HE2 TYR 2 9.492 -2.442 -2.442 12 HE2 TYR 2 HE1 TYR 2 7.580 -6.313 -6.313 13 HH TYR 2 HH TYR 2 9.857 -5.998 -5.998 14 H LYS 3 H LYS 3 3.706 -4.395 -4.395 15 HA LYS 3 HA LYS 3 5.118 -5.192 -5.192 16 1HB LYS 3 HB2 LYS 3 5.989 -6.074 -6.074 17 2HB LYS 3 HB1 LYS 3 5.106 -7.443 -7.443 18 1HG LYS 3 HG2 LYS 3 6.620 -7.692 -7.692 19 2HG LYS 3 HG1 LYS 3 6.969 -5.954 -5.954 20 1HD LYS 3 HD2 LYS 3 8.917 -7.275 -7.275 21 2HD LYS 3 HD1 LYS 3 8.343 -6.113 -6.113 22 1HE LYS 3 HE2 LYS 3 8.201 -7.846 -7.846 23 2HE LYS 3 HE1 LYS 3 6.858 -8.468 -8.468 24 1HZ LYS 3 HZ1 LYS 3 9.723 -9.062 -9.062 25 2HZ LYS 3 HZ3 LYS 3 8.597 -10.084 -10.084 26 3HZ LYS 3 HZ2 LYS 3 8.471 -9.662 -9.662 27 H ASP 4 H ASP 4 2.983 -6.628 -6.628 28 HA ASP 4 HA ASP 4 0.969 -7.133 -7.133 29 1HB ASP 4 HB2 ASP 4 0.974 -8.900 -8.900 30 2HB ASP 4 HB1 ASP 4 0.661 -9.278 -9.278 31 H ASP 5 H ASP 5 1.375 -7.242 -7.242 32 HA ASP 5 HA ASP 5 -1.304 -5.968 -5.968 33 1HB ASP 5 HB2 ASP 5 0.523 -7.256 -7.256 34 2HB ASP 5 HB1 ASP 5 -1.076 -6.562 -6.562 35 H ASP 6 H ASP 6 -1.570 -4.223 -4.223 36 HA ASP 6 HA ASP 6 0.312 -2.128 -2.128 37 1HB ASP 6 HB2 ASP 6 -0.893 -1.007 -1.007 38 2HB ASP 6 HB1 ASP 6 -1.969 -1.640 -1.640 39 H ASP 7 H ASP 7 -0.327 -4.268 -4.268 40 HA ASP 7 HA ASP 7 2.161 -4.880 -4.880 41 1HB ASP 7 HB2 ASP 7 2.597 -3.021 -3.021 42 2HB ASP 7 HB1 ASP 7 3.120 -2.772 -2.772 43 H LYS 8 H LYS 8 0.038 -6.234 -6.234 44 HA LYS 8 HA LYS 8 -1.352 -7.146 -7.146 45 1HB LYS 8 HB2 LYS 8 0.822 -6.092 -6.092 46 2HB LYS 8 HB1 LYS 8 -0.541 -7.041 -7.041 47 1HG LYS 8 HG2 LYS 8 0.083 -8.958 -8.958 48 2HG LYS 8 HG1 LYS 8 1.108 -8.014 -8.014 49 1HD LYS 8 HD2 LYS 8 2.479 -9.327 -9.327 50 2HD LYS 8 HD1 LYS 8 2.690 -7.588 -7.588 51 1HE LYS 8 HE2 LYS 8 0.485 -8.429 -8.429 52 2HE LYS 8 HE1 LYS 8 1.756 -9.650 -9.650 53 1HZ LYS 8 HZ1 LYS 8 2.091 -6.730 -6.730 54 2HZ LYS 8 HZ3 LYS 8 1.973 -7.846 -7.846 55 3HZ LYS 8 HZ2 LYS 8 3.282 -7.866 -7.866 56 H LEU 9 H LEU 9 -3.352 -6.234 -6.234 57 HA LEU 9 HA LEU 9 -3.918 -3.556 -3.556 58 1HB LEU 9 HB2 LEU 9 -5.300 -5.253 -5.253 59 2HB LEU 9 HB1 LEU 9 -5.807 -5.854 -5.854 60 HG LEU 9 HG LEU 9 -6.179 -3.032 -3.032 61 1HD1 LEU 9 HD1 LEU 9 -7.466 -4.518 -4.518 62 2HD1 LEU 9 HD1 LEU 9 -7.901 -2.871 -2.871 63 3HD1 LEU 9 HD1 LEU 9 -6.277 -3.204 -3.204 64 1HD2 LEU 9 HD2 LEU 9 -7.419 -4.532 -4.532 65 2HD2 LEU 9 HD2 LEU 9 -8.560 -3.623 -3.623 66 3HD2 LEU 9 HD2 LEU 9 -8.193 -5.322 -5.322 67 H LYS 10 H LYS 10 -3.546 -2.435 -2.435 68 HA LYS 10 HA LYS 10 -2.916 -3.428 -3.428 69 1HB LYS 10 HB2 LYS 10 -3.513 -0.913 -0.913 70 2HB LYS 10 HB1 LYS 10 -4.549 -1.060 -1.060 71 1HG LYS 10 HG2 LYS 10 -2.139 -2.082 -2.082 72 2HG LYS 10 HG1 LYS 10 -1.605 -0.815 -0.815 73 1HD LYS 10 HD2 LYS 10 -1.830 0.399 0.399 74 2HD LYS 10 HD1 LYS 10 -3.434 0.633 0.633 75 1HE LYS 10 HE2 LYS 10 -4.333 -1.203 -1.203 76 2HE LYS 10 HE1 LYS 10 -2.718 -1.513 -1.513 77 1HZ LYS 10 HZ1 LYS 10 -4.260 0.992 0.992 78 2HZ LYS 10 HZ3 LYS 10 -4.056 -0.180 -0.180 79 3HZ LYS 10 HZ2 LYS 10 -2.755 0.705 0.705 80 HA PRO 11 HA PRO 11 -6.367 -5.691 -5.691 81 1HB PRO 11 HB2 PRO 11 -5.867 -5.329 -5.329 82 2HB PRO 11 HB1 PRO 11 -5.083 -6.567 -6.567 83 1HG PRO 11 HG2 PRO 11 -4.000 -4.059 -4.059 84 2HG PRO 11 HG1 PRO 11 -3.153 -5.486 -5.486 85 1HD PRO 11 HD2 PRO 11 -3.516 -2.965 -2.965 86 2HD PRO 11 HD1 PRO 11 -2.766 -4.435 -4.435 87 H ASP 12 H ASP 12 -8.310 -4.839 -4.839 88 HA ASP 12 HA ASP 12 -9.039 -2.177 -2.177 89 1HB ASP 12 HB2 ASP 12 -10.176 -3.478 -3.478 90 2HB ASP 12 HB1 ASP 12 -10.734 -4.640 -4.640 91 H PHE 13 H PHE 13 -9.083 -5.257 -5.257 92 HA PHE 13 HA PHE 13 -11.022 -4.736 -4.736 93 1HB PHE 13 HB2 PHE 13 -10.036 -6.489 -6.489 94 2HB PHE 13 HB1 PHE 13 -9.705 -6.865 -6.865 95 HD1 PHE 13 HD1 PHE 13 -8.039 -4.993 -4.993 96 HD2 PHE 13 HD2 PHE 13 -7.572 -7.584 -7.584 97 HE1 PHE 13 HE1 PHE 13 -5.606 -5.177 -5.177 98 HE2 PHE 13 HE2 PHE 13 -5.138 -7.764 -7.764 99 HZ PHE 13 HZ PHE 13 -4.152 -6.562 -6.562 100 H CYS 14 H CYS 14 -7.761 -3.430 -3.430 101 HA CYS 14 HA CYS 14 -7.354 -2.496 -2.496 102 1HB CYS 14 HB2 CYS 14 -6.179 -1.869 -1.869 103 2HB CYS 14 HB1 CYS 14 -5.803 -0.831 -0.831 104 HG CYS 14 HG CYS 14 -5.013 -4.174 -4.174 105 H PHE 15 H PHE 15 -8.951 -1.147 -1.147 106 HA PHE 15 HA PHE 15 -9.442 1.479 1.479 107 1HB PHE 15 HB2 PHE 15 -10.655 0.363 0.363 108 2HB PHE 15 HB1 PHE 15 -10.469 2.042 2.042 109 HD1 PHE 15 HD1 PHE 15 -7.675 2.331 2.331 110 HD2 PHE 15 HD2 PHE 15 -9.359 -0.001 -0.001 111 HE1 PHE 15 HE1 PHE 15 -5.524 2.480 2.480 112 HE2 PHE 15 HE2 PHE 15 -7.203 0.153 0.153 113 HZ PHE 15 HZ PHE 15 -5.284 1.391 1.391 114 H LEU 16 H LEU 16 -10.602 -1.564 -1.564 115 HA LEU 16 HA LEU 16 -13.435 -0.907 -0.907 116 1HB LEU 16 HB2 LEU 16 -11.922 -3.219 -3.219 117 2HB LEU 16 HB1 LEU 16 -12.695 -3.238 -3.238 118 HG LEU 16 HG LEU 16 -14.839 -2.687 -2.687 119 1HD1 LEU 16 HD1 LEU 16 -13.126 -3.980 -3.980 120 2HD1 LEU 16 HD1 LEU 16 -14.892 -3.740 -3.740 121 3HD1 LEU 16 HD1 LEU 16 -13.804 -2.340 -2.340 122 1HD2 LEU 16 HD2 LEU 16 -14.548 -4.746 -4.746 123 2HD2 LEU 16 HD2 LEU 16 -15.332 -5.121 -5.121 124 3HD2 LEU 16 HD2 LEU 16 -13.611 -5.480 -5.480 125 H GLU 17 H GLU 17 -14.713 -0.301 -0.301 126 HA GLU 17 HA GLU 17 -13.557 1.155 1.155 127 1HB GLU 17 HB2 GLU 17 -16.242 0.020 0.020 128 2HB GLU 17 HB1 GLU 17 -15.905 0.370 0.370 129 1HG GLU 17 HG2 GLU 17 -14.924 2.628 2.628 130 2HG GLU 17 HG1 GLU 17 -16.286 2.209 2.209 131 H GLU 18 H GLU 18 -13.346 0.757 0.757 132 HA GLU 18 HA GLU 18 -12.127 -1.804 -1.804 133 1HB GLU 18 HB2 GLU 18 -11.371 -0.914 -0.914 134 2HB GLU 18 HB1 GLU 18 -11.607 0.561 0.561 135 1HG GLU 18 HG2 GLU 18 -14.094 0.283 0.283 136 2HG GLU 18 HG1 GLU 18 -13.124 -0.477 -0.477 137 H ASP 19 H ASP 19 -12.822 -3.507 -3.507 138 HA ASP 19 HA ASP 19 -15.562 -3.319 -3.319 139 1HB ASP 19 HB2 ASP 19 -15.411 -4.332 -4.332 140 2HB ASP 19 HB1 ASP 19 -14.755 -5.742 -5.742 141 HA PRO 20 HA PRO 20 -12.928 -5.524 -5.524 142 1HB PRO 20 HB2 PRO 20 -14.415 -4.692 -4.692 143 2HB PRO 20 HB1 PRO 20 -13.057 -3.781 -3.781 144 1HG PRO 20 HG2 PRO 20 -15.946 -3.245 -3.245 145 2HG PRO 20 HG1 PRO 20 -14.573 -2.163 -2.163 146 1HD PRO 20 HD2 PRO 20 -16.276 -3.399 -3.399 147 2HD PRO 20 HD1 PRO 20 -14.837 -2.401 -2.401 148 H GLY 21 H GLY 21 -15.909 -6.124 -6.124 149 1HA GLY 21 HA1 GLY 21 -17.322 -7.942 -7.942 150 2HA GLY 21 HA2 GLY 21 -15.981 -8.829 -8.829 151 H ILE 22 H ILE 22 -19.148 -7.893 -7.893 152 HA ILE 22 HA ILE 22 -19.928 -6.831 -6.831 153 HB ILE 22 HB ILE 22 -20.497 -9.514 -9.514 154 1HG1 ILE 22 HG1 ILE 22 -20.806 -8.966 -8.966 155 2HG1 ILE 22 HG1 ILE 22 -19.547 -10.000 -10.000 156 1HG2 ILE 22 HG2 ILE 22 -22.119 -7.378 -7.378 157 2HG2 ILE 22 HG2 ILE 22 -22.786 -8.880 -8.880 158 3HG2 ILE 22 HG2 ILE 22 -22.046 -7.660 -7.660 159 1HD1 ILE 22 HD1 ILE 22 -22.566 -10.426 -10.426 160 2HD1 ILE 22 HD1 ILE 22 -21.468 -11.340 -11.340 161 3HD1 ILE 22 HD1 ILE 22 -21.313 -11.475 -11.475 162 H CYS 23 H CYS 23 -18.258 -9.991 -9.991 163 HA CYS 23 HA CYS 23 -17.850 -9.854 -9.854 164 1HB CYS 23 HB2 CYS 23 -16.154 -10.781 -10.781 165 2HB CYS 23 HB1 CYS 23 -15.339 -10.587 -10.587 166 HG CYS 23 HG CYS 23 -17.581 -12.941 -12.941 167 H ARG 24 H ARG 24 -16.248 -8.993 -8.993 168 HA ARG 24 HA ARG 24 -15.389 -6.289 -6.289 169 1HB ARG 24 HB2 ARG 24 -16.599 -7.212 -7.212 170 2HB ARG 24 HB1 ARG 24 -14.891 -7.104 -7.104 171 1HG ARG 24 HG2 ARG 24 -14.844 -4.804 -4.804 172 2HG ARG 24 HG1 ARG 24 -16.035 -4.806 -4.806 173 1HD ARG 24 HD2 ARG 24 -17.513 -5.738 -5.738 174 2HD ARG 24 HD1 ARG 24 -16.423 -4.562 -4.562 175 HE ARG 24 HE ARG 24 -17.622 -2.865 -2.865 176 1HH1 ARG 24 HH1 ARG 24 -18.141 -5.885 -5.885 177 2HH1 ARG 24 HH1 ARG 24 -19.341 -5.214 -5.214 178 1HH2 ARG 24 HH2 ARG 24 -19.211 -1.951 -1.951 179 2HH2 ARG 24 HH2 ARG 24 -19.952 -2.967 -2.967 180 H GLY 25 H GLY 25 -14.011 -8.791 -8.791 181 1HA GLY 25 HA1 GLY 25 -11.649 -8.849 -8.849 182 2HA GLY 25 HA2 GLY 25 -11.847 -9.821 -9.821 183 H TYR 26 H TYR 26 -11.570 -6.306 -6.306 184 HA TYR 26 HA TYR 26 -10.491 -5.558 -5.558 185 1HB TYR 26 HB1 TYR 26 -10.084 -4.213 -4.213 186 2HB TYR 26 HB2 TYR 26 -9.823 -3.468 -3.468 187 HD1 TYR 26 HD2 TYR 26 -12.408 -4.931 -4.931 188 HD2 TYR 26 HD1 TYR 26 -11.685 -2.402 -2.402 189 HE1 TYR 26 HE2 TYR 26 -14.764 -4.155 -4.155 190 HE2 TYR 26 HE1 TYR 26 -14.040 -1.628 -1.628 191 HH TYR 26 HH TYR 26 -16.154 -1.987 -1.987 192 H ILE 27 H ILE 27 -8.325 -5.139 -5.139 193 HA ILE 27 HA ILE 27 -6.219 -6.155 -6.155 194 HB ILE 27 HB ILE 27 -6.425 -7.137 -7.137 195 1HG1 ILE 27 HG1 ILE 27 -7.298 -8.668 -8.668 196 2HG1 ILE 27 HG1 ILE 27 -8.413 -7.855 -7.855 197 1HG2 ILE 27 HG2 ILE 27 -4.804 -8.080 -8.080 198 2HG2 ILE 27 HG2 ILE 27 -4.847 -8.886 -8.886 199 3HG2 ILE 27 HG2 ILE 27 -4.189 -7.244 -7.244 200 1HD1 ILE 27 HD1 ILE 27 -6.452 -10.086 -10.086 201 2HD1 ILE 27 HD1 ILE 27 -8.215 -10.267 -10.267 202 3HD1 ILE 27 HD1 ILE 27 -7.576 -9.291 -9.291 203 H THR 28 H THR 28 -7.258 -3.553 -3.553 204 HA THR 28 HA THR 28 -6.436 -1.738 -1.738 205 HB THR 28 HB THR 28 -4.044 -2.672 -2.672 206 HG1 THR 28 HG1 THR 28 -5.269 -1.746 -1.746 207 1HG2 THR 28 HG2 THR 28 -4.516 -0.254 -0.254 208 2HG2 THR 28 HG2 THR 28 -3.847 0.031 0.031 209 3HG2 THR 28 HG2 THR 28 -2.962 -0.994 -0.994 210 H ARG 29 H ARG 29 -6.814 -2.951 -2.951 211 HA ARG 29 HA ARG 29 -4.283 -3.833 -3.833 212 1HB ARG 29 HB2 ARG 29 -7.196 -4.096 -4.096 213 2HB ARG 29 HB1 ARG 29 -5.817 -4.617 -4.617 214 1HG ARG 29 HG2 ARG 29 -6.444 -5.620 -5.620 215 2HG ARG 29 HG1 ARG 29 -6.866 -6.479 -6.479 216 1HD ARG 29 HD2 ARG 29 -4.444 -6.582 -6.582 217 2HD ARG 29 HD1 ARG 29 -4.046 -5.738 -5.738 218 HE ARG 29 HE ARG 29 -5.662 -8.194 -8.194 219 1HH1 ARG 29 HH1 ARG 29 -2.442 -6.728 -6.728 220 2HH1 ARG 29 HH1 ARG 29 -1.672 -8.033 -8.033 221 1HH2 ARG 29 HH2 ARG 29 -4.663 -9.938 -9.938 222 2HH2 ARG 29 HH2 ARG 29 -2.941 -9.867 -9.867 223 H TYR 30 H TYR 30 -4.553 -3.279 -3.279 224 HA TYR 30 HA TYR 30 -5.191 -0.365 -0.365 225 1HB TYR 30 HB1 TYR 30 -2.711 -1.686 -1.686 226 2HB TYR 30 HB2 TYR 30 -3.143 0.009 0.009 227 HD1 TYR 30 HD1 TYR 30 -2.601 -2.513 -2.513 228 HD2 TYR 30 HD2 TYR 30 -2.105 1.551 1.551 229 HE1 TYR 30 HE1 TYR 30 -1.357 -1.956 -1.956 230 HE2 TYR 30 HE2 TYR 30 -0.861 2.107 2.107 231 HH TYR 30 HH TYR 30 -0.054 -0.345 -0.345 232 H PHE 31 H PHE 31 -5.715 0.479 0.479 233 HA PHE 31 HA PHE 31 -6.218 -1.520 -1.520 234 1HB PHE 31 HB2 PHE 31 -8.508 -1.398 -1.398 235 2HB PHE 31 HB1 PHE 31 -8.173 -1.465 -1.465 236 HD1 PHE 31 HD2 PHE 31 -7.997 0.817 0.817 237 HD2 PHE 31 HD1 PHE 31 -9.879 0.366 0.366 238 HE1 PHE 31 HE2 PHE 31 -9.276 2.916 2.916 239 HE2 PHE 31 HE1 PHE 31 -11.152 2.465 2.465 240 HZ PHE 31 HZ PHE 31 -10.854 3.743 3.743 241 H TYR 32 H TYR 32 -6.460 -0.518 -0.518 242 HA TYR 32 HA TYR 32 -5.390 2.208 2.208 243 1HB TYR 32 HB1 TYR 32 -4.798 0.284 0.284 244 2HB TYR 32 HB2 TYR 32 -6.361 0.572 0.572 245 HD1 TYR 32 HD2 TYR 32 -6.853 2.627 2.627 246 HD2 TYR 32 HD1 TYR 32 -2.948 1.930 1.930 247 HE1 TYR 32 HE2 TYR 32 -5.904 4.421 4.421 248 HE2 TYR 32 HE1 TYR 32 -2.001 3.724 3.724 249 HH TYR 32 HH TYR 32 -2.571 4.924 4.924 250 H ASN 33 H ASN 33 -6.867 3.689 3.689 251 HA ASN 33 HA ASN 33 -9.659 3.540 3.540 252 1HB ASN 33 HB2 ASN 33 -8.689 4.358 4.358 253 2HB ASN 33 HB1 ASN 33 -8.447 5.888 5.888 254 1HD2 ASN 33 HD2 ASN 33 -11.749 6.117 6.117 255 2HD2 ASN 33 HD2 ASN 33 -10.041 6.033 6.033 256 H ASN 34 H ASN 34 -10.338 4.425 4.425 257 HA ASN 34 HA ASN 34 -8.607 6.038 6.038 258 1HB ASN 34 HB2 ASN 34 -10.319 4.741 4.741 259 2HB ASN 34 HB1 ASN 34 -11.590 5.422 5.422 260 1HD2 ASN 34 HD2 ASN 34 -9.842 7.755 7.755 261 2HD2 ASN 34 HD2 ASN 34 -8.934 6.507 6.507 262 H GLN 35 H GLN 35 -10.941 6.716 6.716 263 HA GLN 35 HA GLN 35 -11.739 9.292 9.292 264 1HB GLN 35 HB2 GLN 35 -11.956 7.649 7.649 265 2HB GLN 35 HB1 GLN 35 -10.938 8.960 8.960 266 1HG GLN 35 HG2 GLN 35 -13.193 9.637 9.637 267 2HG GLN 35 HG1 GLN 35 -12.665 10.575 10.575 268 1HE2 GLN 35 HE2 GLN 35 -15.474 7.519 7.519 269 2HE2 GLN 35 HE2 GLN 35 -14.358 7.643 7.643 270 H THR 36 H THR 36 -8.618 8.162 8.162 271 HA THR 36 HA THR 36 -7.596 10.957 10.957 272 HB THR 36 HB THR 36 -5.896 10.240 10.240 273 HG1 THR 36 HG1 THR 36 -5.796 8.098 8.098 274 1HG2 THR 36 HG2 THR 36 -8.887 10.030 10.030 275 2HG2 THR 36 HG2 THR 36 -7.818 9.428 9.428 276 3HG2 THR 36 HG2 THR 36 -7.722 11.129 11.129 277 H LYS 37 H LYS 37 -7.695 7.903 7.903 278 HA LYS 37 HA LYS 37 -6.511 6.945 6.945 279 1HB LYS 37 HB2 LYS 37 -5.390 9.740 9.740 280 2HB LYS 37 HB1 LYS 37 -4.993 8.425 8.425 281 1HG LYS 37 HG2 LYS 37 -6.899 8.873 8.873 282 2HG LYS 37 HG1 LYS 37 -7.823 8.406 8.406 283 1HD LYS 37 HD2 LYS 37 -8.554 10.609 10.609 284 2HD LYS 37 HD1 LYS 37 -7.344 10.826 10.826 285 1HE LYS 37 HE2 LYS 37 -5.692 11.578 11.578 286 2HE LYS 37 HE1 LYS 37 -6.644 11.007 11.007 287 1HZ LYS 37 HZ1 LYS 37 -7.400 13.197 13.197 288 2HZ LYS 37 HZ3 LYS 37 -6.800 13.374 13.374 289 3HZ LYS 37 HZ2 LYS 37 -8.289 12.680 12.680 290 H GLN 38 H GLN 38 -5.698 6.226 6.226 291 HA GLN 38 HA GLN 38 -3.019 5.396 5.396 292 1HB GLN 38 HB2 GLN 38 -3.150 7.970 7.970 293 2HB GLN 38 HB1 GLN 38 -2.835 6.902 6.902 294 1HG GLN 38 HG2 GLN 38 -0.735 6.378 6.378 295 2HG GLN 38 HG1 GLN 38 -1.249 6.296 6.296 296 1HE2 GLN 38 HE2 GLN 38 0.094 9.384 9.384 297 2HE2 GLN 38 HE2 GLN 38 -0.454 7.764 7.764 298 H CYS 39 H CYS 39 -2.138 4.537 4.537 299 HA CYS 39 HA CYS 39 -4.250 2.700 2.700 300 1HB CYS 39 HB2 CYS 39 -1.379 3.020 3.020 301 2HB CYS 39 HB1 CYS 39 -2.474 1.779 1.779 302 HG CYS 39 HG CYS 39 -2.846 1.197 1.197 303 H GLU 40 H GLU 40 -5.358 2.619 2.619 304 HA GLU 40 HA GLU 40 -4.684 4.729 4.729 305 1HB GLU 40 HB2 GLU 40 -7.558 4.122 4.122 306 2HB GLU 40 HB1 GLU 40 -6.926 5.479 5.479 307 1HG GLU 40 HG2 GLU 40 -6.166 5.049 5.049 308 2HG GLU 40 HG1 GLU 40 -7.625 5.948 5.948 309 H ARG 41 H ARG 41 -4.934 4.120 4.120 310 HA ARG 41 HA ARG 41 -5.084 1.288 1.288 311 1HB ARG 41 HB2 ARG 41 -4.358 3.676 3.676 312 2HB ARG 41 HB1 ARG 41 -5.493 2.716 2.716 313 1HG ARG 41 HG2 ARG 41 -4.035 0.903 0.903 314 2HG ARG 41 HG1 ARG 41 -3.226 1.304 1.304 315 1HD ARG 41 HD2 ARG 41 -1.707 2.668 2.668 316 2HD ARG 41 HD1 ARG 41 -2.930 3.356 3.356 317 HE ARG 41 HE ARG 41 -2.253 0.562 0.562 318 1HH1 ARG 41 HH1 ARG 41 -1.399 3.951 3.951 319 2HH1 ARG 41 HH1 ARG 41 -0.559 3.655 3.655 320 1HH2 ARG 41 HH2 ARG 41 -1.144 0.145 0.145 321 2HH2 ARG 41 HH2 ARG 41 -0.414 1.481 1.481 322 H PHE 42 H PHE 42 -6.895 0.079 0.079 323 HA PHE 42 HA PHE 42 -9.398 1.358 1.358 324 1HB PHE 42 HB2 PHE 42 -10.667 0.636 0.636 325 2HB PHE 42 HB1 PHE 42 -9.181 1.030 1.030 326 HD1 PHE 42 HD2 PHE 42 -7.442 -0.916 -0.916 327 HD2 PHE 42 HD1 PHE 42 -11.620 -1.536 -1.536 328 HE1 PHE 42 HE2 PHE 42 -7.311 -3.220 -3.220 329 HE2 PHE 42 HE1 PHE 42 -11.480 -3.837 -3.837 330 HZ PHE 42 HZ PHE 42 -9.328 -4.682 -4.682 331 H LYS 43 H LYS 43 -10.834 -0.136 -0.136 332 HA LYS 43 HA LYS 43 -9.420 -2.154 -2.154 333 1HB LYS 43 HB2 LYS 43 -12.072 -0.908 -0.908 334 2HB LYS 43 HB1 LYS 43 -12.088 -2.621 -2.621 335 1HG LYS 43 HG2 LYS 43 -11.619 -1.643 -1.643 336 2HG LYS 43 HG1 LYS 43 -9.969 -1.887 -1.887 337 1HD LYS 43 HD2 LYS 43 -10.049 0.364 0.364 338 2HD LYS 43 HD1 LYS 43 -10.128 0.486 0.486 339 1HE LYS 43 HE2 LYS 43 -12.613 0.687 0.687 340 2HE LYS 43 HE1 LYS 43 -12.494 0.601 0.601 341 1HZ LYS 43 HZ1 LYS 43 -11.264 2.666 2.666 342 2HZ LYS 43 HZ3 LYS 43 -12.636 2.853 2.853 343 3HZ LYS 43 HZ2 LYS 43 -11.161 2.603 2.603 344 H TYR 44 H TYR 44 -10.256 -4.508 -4.508 345 HA TYR 44 HA TYR 44 -11.367 -5.425 -5.425 346 1HB TYR 44 HB1 TYR 44 -8.861 -5.333 -5.333 347 2HB TYR 44 HB2 TYR 44 -8.696 -6.430 -6.430 348 HD1 TYR 44 HD2 TYR 44 -11.424 -6.812 -6.812 349 HD2 TYR 44 HD1 TYR 44 -7.528 -8.182 -8.182 350 HE1 TYR 44 HE2 TYR 44 -11.616 -8.771 -8.771 351 HE2 TYR 44 HE1 TYR 44 -7.722 -10.140 -10.140 352 HH TYR 44 HH TYR 44 -9.689 -11.512 -11.512 353 H GLY 45 H GLY 45 -12.764 -7.109 -7.109 354 1HA GLY 45 HA1 GLY 45 -12.864 -8.313 -8.313 355 2HA GLY 45 HA2 GLY 45 -14.233 -8.159 -8.159 356 H GLY 46 H GLY 46 -12.345 -8.912 -8.912 357 1HA GLY 46 HA1 GLY 46 -11.368 -10.838 -10.838 358 2HA GLY 46 HA2 GLY 46 -11.642 -11.711 -11.711 359 H CYS 47 H CYS 47 -13.853 -12.472 -12.472 360 HA CYS 47 HA CYS 47 -15.077 -13.987 -13.987 361 1HB CYS 47 HB2 CYS 47 -16.824 -12.202 -12.202 362 2HB CYS 47 HB1 CYS 47 -17.080 -13.895 -13.895 363 HG CYS 47 HG CYS 47 -14.644 -14.595 -14.595 364 H LEU 48 H LEU 48 -15.822 -13.805 -13.805 365 HA LEU 48 HA LEU 48 -16.725 -12.929 -12.929 366 1HB LEU 48 HB2 LEU 48 -18.712 -12.578 -12.578 367 2HB LEU 48 HB1 LEU 48 -18.059 -11.227 -11.227 368 HG LEU 48 HG LEU 48 -17.819 -10.247 -10.247 369 1HD1 LEU 48 HD1 LEU 48 -20.309 -11.998 -11.998 370 2HD1 LEU 48 HD1 LEU 48 -19.904 -10.719 -10.719 371 3HD1 LEU 48 HD1 LEU 48 -18.861 -12.146 -12.146 372 1HD2 LEU 48 HD2 LEU 48 -18.863 -9.068 -9.068 373 2HD2 LEU 48 HD2 LEU 48 -19.902 -8.942 -8.942 374 3HD2 LEU 48 HD2 LEU 48 -20.319 -10.072 -10.072 375 H GLY 49 H GLY 49 -16.625 -9.712 -9.712 376 1HA GLY 49 HA1 GLY 49 -15.483 -7.801 -7.801 377 2HA GLY 49 HA2 GLY 49 -14.054 -8.853 -8.853 378 H ASN 50 H ASN 50 -13.209 -7.569 -7.569 379 HA ASN 50 HA ASN 50 -14.473 -8.358 -8.358 380 1HB ASN 50 HB2 ASN 50 -13.996 -6.193 -6.193 381 2HB ASN 50 HB1 ASN 50 -14.827 -5.889 -5.889 382 1HD2 ASN 50 HD2 ASN 50 -12.011 -3.531 -3.531 383 2HD2 ASN 50 HD2 ASN 50 -13.559 -3.818 -3.818 384 H MET 51 H MET 51 -12.399 -6.994 -6.994 385 HA MET 51 HA MET 51 -10.236 -8.970 -8.970 386 1HB MET 51 HB2 MET 51 -11.177 -7.212 -7.212 387 2HB MET 51 HB1 MET 51 -9.481 -7.737 -7.737 388 1HG MET 51 HG2 MET 51 -11.530 -9.855 -9.855 389 2HG MET 51 HG1 MET 51 -11.505 -9.186 -9.186 390 1HE MET 51 HE1 MET 51 -8.823 -8.617 -8.617 391 2HE MET 51 HE3 MET 51 -8.137 -10.205 -10.205 392 3HE MET 51 HE2 MET 51 -9.845 -9.850 -9.850 393 H ASN 52 H ASN 52 -10.642 -5.408 -5.408 394 HA ASN 52 HA ASN 52 -7.960 -4.678 -4.678 395 1HB ASN 52 HB2 ASN 52 -10.065 -3.253 -3.253 396 2HB ASN 52 HB1 ASN 52 -10.265 -2.997 -2.997 397 1HD2 ASN 52 HD2 ASN 52 -8.300 -0.137 -0.137 398 2HD2 ASN 52 HD2 ASN 52 -9.929 -0.807 -0.807 399 H ASN 53 H ASN 53 -7.257 -6.149 -6.149 400 HA ASN 53 HA ASN 53 -7.635 -4.889 -4.889 401 1HB ASN 53 HB2 ASN 53 -9.269 -6.520 -6.520 402 2HB ASN 53 HB1 ASN 53 -8.535 -7.670 -7.670 403 1HD2 ASN 53 HD2 ASN 53 -6.440 -7.141 -7.141 404 2HD2 ASN 53 HD2 ASN 53 -6.940 -5.786 -5.786 405 H PHE 54 H PHE 54 -5.493 -4.324 -4.324 406 HA PHE 54 HA PHE 54 -3.443 -6.497 -6.497 407 1HB PHE 54 HB2 PHE 54 -3.131 -3.480 -3.480 408 2HB PHE 54 HB1 PHE 54 -1.857 -4.660 -4.660 409 HD1 PHE 54 HD2 PHE 54 -1.769 -6.059 -6.059 410 HD2 PHE 54 HD1 PHE 54 -4.671 -2.892 -2.892 411 HE1 PHE 54 HE2 PHE 54 -2.203 -6.065 -6.065 412 HE2 PHE 54 HE1 PHE 54 -5.099 -2.905 -2.905 413 HZ PHE 54 HZ PHE 54 -3.867 -4.489 -4.489 414 H GLU 55 H GLU 55 -1.567 -6.353 -6.353 415 HA GLU 55 HA GLU 55 -2.631 -5.835 -5.835 416 1HB GLU 55 HB2 GLU 55 -0.183 -7.405 -7.405 417 2HB GLU 55 HB1 GLU 55 -0.721 -7.215 -7.215 418 1HG GLU 55 HG2 GLU 55 -3.004 -8.157 -8.157 419 2HG GLU 55 HG1 GLU 55 -2.011 -8.738 -8.738 420 H THR 56 H THR 56 0.162 -5.130 -5.130 421 HA THR 56 HA THR 56 0.920 -2.936 -2.936 422 HB THR 56 HB THR 56 3.216 -3.307 -3.307 423 HG1 THR 56 HG1 THR 56 3.209 -5.594 -5.594 424 1HG2 THR 56 HG2 THR 56 2.017 -4.839 -4.839 425 2HG2 THR 56 HG2 THR 56 3.489 -5.494 -5.494 426 3HG2 THR 56 HG2 THR 56 3.515 -3.868 -3.868 427 H LEU 57 H LEU 57 1.328 -0.857 -0.857 428 HA LEU 57 HA LEU 57 -0.293 -0.116 -0.116 429 1HB LEU 57 HB2 LEU 57 0.412 1.343 1.343 430 2HB LEU 57 HB1 LEU 57 2.070 1.325 1.325 431 HG LEU 57 HG LEU 57 0.801 2.170 2.170 432 1HD1 LEU 57 HD1 LEU 57 -0.948 3.206 3.206 433 2HD1 LEU 57 HD1 LEU 57 -0.978 3.810 3.810 434 3HD1 LEU 57 HD1 LEU 57 -1.445 2.135 2.135 435 1HD2 LEU 57 HD2 LEU 57 2.676 3.342 3.342 436 2HD2 LEU 57 HD2 LEU 57 1.390 4.508 4.508 437 3HD2 LEU 57 HD2 LEU 57 1.601 3.975 3.975 438 H GLU 58 H GLU 58 3.304 -0.527 -0.527 439 HA GLU 58 HA GLU 58 3.861 0.087 0.087 440 1HB GLU 58 HB2 GLU 58 5.345 -0.758 -0.758 441 2HB GLU 58 HB1 GLU 58 5.383 -2.210 -2.210 442 1HG GLU 58 HG2 GLU 58 6.176 -0.820 -0.820 443 2HG GLU 58 HG1 GLU 58 6.143 0.616 0.616 444 H GLU 59 H GLU 59 2.652 -2.958 -2.958 445 HA GLU 59 HA GLU 59 2.931 -4.550 -4.550 446 1HB GLU 59 HB2 GLU 59 2.466 -5.947 -5.947 447 2HB GLU 59 HB1 GLU 59 1.488 -4.735 -4.735 448 1HG GLU 59 HG2 GLU 59 0.084 -6.624 -6.624 449 2HG GLU 59 HG1 GLU 59 -0.376 -5.153 -5.153 450 H CYS 60 H CYS 60 0.235 -2.496 -2.496 451 HA CYS 60 HA CYS 60 -1.544 -3.168 -3.168 452 1HB CYS 60 HB2 CYS 60 -2.507 -2.308 -2.308 453 2HB CYS 60 HB1 CYS 60 -1.396 -0.925 -0.925 454 HG CYS 60 HG CYS 60 -4.360 -1.266 -1.266 455 H LYS 61 H LYS 61 1.183 -0.969 -0.969 456 HA LYS 61 HA LYS 61 0.424 0.611 0.611 457 1HB LYS 61 HB2 LYS 61 3.180 0.572 0.572 458 2HB LYS 61 HB1 LYS 61 2.314 1.907 1.907 459 1HG LYS 61 HG2 LYS 61 0.670 1.143 1.143 460 2HG LYS 61 HG1 LYS 61 2.320 1.059 1.059 461 1HD LYS 61 HD2 LYS 61 1.554 3.300 3.300 462 2HD LYS 61 HD1 LYS 61 2.682 3.392 3.392 463 1HE LYS 61 HE2 LYS 61 0.250 2.916 2.916 464 2HE LYS 61 HE1 LYS 61 -0.227 3.938 3.938 465 1HZ LYS 61 HZ1 LYS 61 1.888 4.559 4.559 466 2HZ LYS 61 HZ3 LYS 61 0.358 5.227 5.227 467 3HZ LYS 61 HZ2 LYS 61 1.438 5.529 5.529 468 H ASN 62 H ASN 62 2.963 -1.863 -1.863 469 HA ASN 62 HA ASN 62 4.116 -2.039 -2.039 470 1HB ASN 62 HB2 ASN 62 4.703 -3.283 -3.283 471 2HB ASN 62 HB1 ASN 62 3.530 -4.496 -4.496 472 1HD2 ASN 62 HD2 ASN 62 5.461 -5.592 -5.592 473 2HD2 ASN 62 HD2 ASN 62 3.819 -5.296 -5.296 474 H ILE 63 H ILE 63 1.132 -3.558 -3.558 475 HA ILE 63 HA ILE 63 0.698 -5.045 -5.045 476 HB ILE 63 HB ILE 63 -0.768 -4.642 -4.642 477 1HG1 ILE 63 HG1 ILE 63 -0.287 -6.902 -6.902 478 2HG1 ILE 63 HG1 ILE 63 -0.098 -7.282 -7.282 479 1HG2 ILE 63 HG2 ILE 63 -1.908 -6.031 -6.031 480 2HG2 ILE 63 HG2 ILE 63 -2.590 -6.133 -6.133 481 3HG2 ILE 63 HG2 ILE 63 -2.544 -4.577 -4.577 482 1HD1 ILE 63 HD1 ILE 63 1.795 -5.549 -5.549 483 2HD1 ILE 63 HD1 ILE 63 2.089 -7.234 -7.234 484 3HD1 ILE 63 HD1 ILE 63 2.002 -5.938 -5.938 485 H CYS 64 H CYS 64 -0.898 -2.242 -2.242 486 HA CYS 64 HA CYS 64 -2.487 -1.707 -1.707 487 1HB CYS 64 HB2 CYS 64 -2.129 0.044 0.044 488 2HB CYS 64 HB1 CYS 64 -3.437 0.101 0.101 489 HG CYS 64 HG CYS 64 -5.032 -1.445 -1.445 490 H GLU 65 H GLU 65 -0.517 0.664 0.664 491 HA GLU 65 HA GLU 65 -0.013 2.403 2.403 492 1HB GLU 65 HB2 GLU 65 1.344 1.730 1.730 493 2HB GLU 65 HB1 GLU 65 2.382 2.526 2.526 494 1HG GLU 65 HG2 GLU 65 -0.137 3.882 3.882 495 2HG GLU 65 HG1 GLU 65 0.332 3.667 3.667 496 H ASP 66 H ASP 66 1.316 -0.814 -0.814 497 HA ASP 66 HA ASP 66 3.144 -1.853 -1.853 498 1HB ASP 66 HB2 ASP 66 2.652 -1.758 -1.758 499 2HB ASP 66 HB1 ASP 66 1.551 -2.610 -2.610 500 H GLY 67 H GLY 67 2.680 0.240 0.240 501 1HA GLY 67 HA1 GLY 67 4.101 2.372 2.372 502 2HA GLY 67 HA2 GLY 67 5.435 1.326 1.326 503 HA PRO 68 HA PRO 68 4.812 1.170 1.170 504 1HB PRO 68 HB2 PRO 68 6.960 2.857 2.857 505 2HB PRO 68 HB1 PRO 68 5.269 3.384 3.384 506 1HG PRO 68 HG2 PRO 68 7.522 3.927 3.927 507 2HG PRO 68 HG1 PRO 68 5.963 4.760 4.760 508 1HD PRO 68 HD2 PRO 68 6.753 2.930 2.930 509 2HD PRO 68 HD1 PRO 68 5.166 3.690 3.690 510 H ASN 69 H ASN 69 5.434 -1.003 -1.003 511 HA ASN 69 HA ASN 69 6.853 -2.802 -2.802 512 1HB ASN 69 HB2 ASN 69 7.912 -0.861 -0.861 513 2HB ASN 69 HB1 ASN 69 9.087 -2.071 -2.071 514 1HD2 ASN 69 HD2 ASN 69 6.191 -2.960 -2.960 515 2HD2 ASN 69 HD2 ASN 69 6.597 -1.340 -1.340 516 H GLY 70 H GLY 70 7.260 -2.483 -2.483 517 1HA GLY 70 HA1 GLY 70 10.078 -2.472 -2.472 518 2HA GLY 70 HA2 GLY 70 9.331 -0.949 -0.949 519 H PHE 71 H PHE 71 8.554 -0.947 -0.947 520 HA PHE 71 HA PHE 71 8.324 -3.435 -3.435 521 1HB PHE 71 HB2 PHE 71 8.057 -2.055 -2.055 522 2HB PHE 71 HB1 PHE 71 9.102 -1.114 -1.114 523 HD1 PHE 71 HD2 PHE 71 8.132 0.783 0.783 524 HD2 PHE 71 HD1 PHE 71 5.897 -1.180 -1.180 525 HE1 PHE 71 HE2 PHE 71 6.559 2.705 2.705 526 HE2 PHE 71 HE1 PHE 71 4.330 0.745 0.745 527 HZ PHE 71 HZ PHE 71 4.657 2.690 2.690 Start of MODEL 21 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.457 0.260 0.260 3 1HB ASP 1 HB2 ASP 1 3.653 0.953 0.953 4 2HB ASP 1 HB1 ASP 1 4.061 0.605 0.605 5 H TYR 2 H TYR 2 3.561 -0.807 -0.807 6 HA TYR 2 HA TYR 2 4.497 -3.232 -3.232 7 1HB TYR 2 HB1 TYR 2 1.944 -3.579 -3.579 8 2HB TYR 2 HB2 TYR 2 2.645 -3.783 -3.783 9 HD1 TYR 2 HD1 TYR 2 5.306 -4.992 -4.992 10 HD2 TYR 2 HD2 TYR 2 1.129 -5.997 -5.997 11 HE1 TYR 2 HE1 TYR 2 5.822 -7.369 -7.369 12 HE2 TYR 2 HE2 TYR 2 1.647 -8.375 -8.375 13 HH TYR 2 HH TYR 2 3.287 -9.925 -9.925 14 H LYS 3 H LYS 3 5.747 -1.006 -1.006 15 HA LYS 3 HA LYS 3 7.633 -0.875 -0.875 16 1HB LYS 3 HB2 LYS 3 7.454 -3.465 -3.465 17 2HB LYS 3 HB1 LYS 3 6.792 -3.168 -3.168 18 1HG LYS 3 HG2 LYS 3 9.538 -2.519 -2.519 19 2HG LYS 3 HG1 LYS 3 9.115 -3.414 -3.414 20 1HD LYS 3 HD2 LYS 3 8.160 -1.237 -1.237 21 2HD LYS 3 HD1 LYS 3 8.847 -0.420 -0.420 22 1HE LYS 3 HE2 LYS 3 11.053 -0.770 -0.770 23 2HE LYS 3 HE1 LYS 3 10.616 -2.180 -2.180 24 1HZ LYS 3 HZ1 LYS 3 9.917 0.629 0.629 25 2HZ LYS 3 HZ3 LYS 3 11.114 -0.266 -0.266 26 3HZ LYS 3 HZ2 LYS 3 9.517 -0.683 -0.683 27 H ASP 4 H ASP 4 7.421 1.005 1.005 28 HA ASP 4 HA ASP 4 6.001 1.006 1.006 29 1HB ASP 4 HB2 ASP 4 4.494 1.687 1.687 30 2HB ASP 4 HB1 ASP 4 5.280 3.244 3.244 31 H ASP 5 H ASP 5 5.871 3.900 3.900 32 HA ASP 5 HA ASP 5 8.666 4.760 4.760 33 1HB ASP 5 HB2 ASP 5 8.855 5.619 5.619 34 2HB ASP 5 HB1 ASP 5 8.694 3.851 3.851 35 H ASP 6 H ASP 6 8.826 6.937 6.937 36 HA ASP 6 HA ASP 6 6.678 8.775 8.775 37 1HB ASP 6 HB2 ASP 6 7.265 8.103 8.103 38 2HB ASP 6 HB1 ASP 6 6.298 9.484 9.484 39 H ASP 7 H ASP 7 9.114 9.017 9.017 40 HA ASP 7 HA ASP 7 10.292 11.225 11.225 41 1HB ASP 7 HB2 ASP 7 11.631 8.742 8.742 42 2HB ASP 7 HB1 ASP 7 12.523 10.276 10.276 43 H LYS 8 H LYS 8 11.386 9.508 9.508 44 HA LYS 8 HA LYS 8 11.225 10.152 10.152 45 1HB LYS 8 HB2 LYS 8 9.151 11.593 11.593 46 2HB LYS 8 HB1 LYS 8 10.208 12.895 12.895 47 1HG LYS 8 HG2 LYS 8 8.759 12.284 12.284 48 2HG LYS 8 HG1 LYS 8 10.365 11.632 11.632 49 1HD LYS 8 HD2 LYS 8 9.085 9.758 9.758 50 2HD LYS 8 HD1 LYS 8 9.376 9.497 9.497 51 1HE LYS 8 HE2 LYS 8 7.033 9.179 9.179 52 2HE LYS 8 HE1 LYS 8 7.181 10.824 10.824 53 1HZ LYS 8 HZ1 LYS 8 6.881 10.108 10.108 54 2HZ LYS 8 HZ3 LYS 8 5.685 10.720 10.720 55 3HZ LYS 8 HZ2 LYS 8 7.002 11.652 11.652 56 H LEU 9 H LEU 9 12.065 12.839 12.839 57 HA LEU 9 HA LEU 9 13.743 14.370 14.370 58 1HB LEU 9 HB2 LEU 9 15.873 13.458 13.458 59 2HB LEU 9 HB1 LEU 9 14.684 12.366 12.366 60 HG LEU 9 HG LEU 9 15.450 11.759 11.759 61 1HD1 LEU 9 HD1 LEU 9 17.498 11.440 11.440 62 2HD1 LEU 9 HD1 LEU 9 17.618 10.698 10.698 63 3HD1 LEU 9 HD1 LEU 9 17.644 12.464 12.464 64 1HD2 LEU 9 HD2 LEU 9 13.991 10.257 10.257 65 2HD2 LEU 9 HD2 LEU 9 15.520 9.425 9.425 66 3HD2 LEU 9 HD2 LEU 9 15.244 10.052 10.052 67 H LYS 10 H LYS 10 16.309 13.922 13.922 68 HA LYS 10 HA LYS 10 15.165 14.605 14.605 69 1HB LYS 10 HB2 LYS 10 16.605 16.277 16.277 70 2HB LYS 10 HB1 LYS 10 17.799 15.749 15.749 71 1HG LYS 10 HG2 LYS 10 15.440 16.287 16.287 72 2HG LYS 10 HG1 LYS 10 15.559 17.602 17.602 73 1HD LYS 10 HD2 LYS 10 17.771 18.191 18.191 74 2HD LYS 10 HD1 LYS 10 17.878 16.721 16.721 75 1HE LYS 10 HE2 LYS 10 16.976 17.852 17.852 76 2HE LYS 10 HE1 LYS 10 15.505 18.129 18.129 77 1HZ LYS 10 HZ1 LYS 10 17.938 19.807 19.807 78 2HZ LYS 10 HZ3 LYS 10 16.504 20.173 20.173 79 3HZ LYS 10 HZ2 LYS 10 16.560 20.083 20.083 80 HA PRO 11 HA PRO 11 17.664 11.373 11.373 81 1HB PRO 11 HB2 PRO 11 18.032 12.333 12.333 82 2HB PRO 11 HB1 PRO 11 16.562 11.515 11.515 83 1HG PRO 11 HG2 PRO 11 17.031 14.358 14.358 84 2HG PRO 11 HG1 PRO 11 15.505 13.464 13.464 85 1HD PRO 11 HD2 PRO 11 16.673 15.253 15.253 86 2HD PRO 11 HD1 PRO 11 15.206 14.271 14.271 87 H ASP 12 H ASP 12 19.587 11.262 11.262 88 HA ASP 12 HA ASP 12 21.608 13.259 13.259 89 1HB ASP 12 HB2 ASP 12 21.597 11.559 11.559 90 2HB ASP 12 HB1 ASP 12 21.730 10.273 10.273 91 H PHE 13 H PHE 13 20.736 10.540 10.540 92 HA PHE 13 HA PHE 13 23.137 10.190 10.190 93 1HB PHE 13 HB2 PHE 13 21.793 9.168 9.168 94 2HB PHE 13 HB1 PHE 13 20.998 8.845 8.845 95 HD1 PHE 13 HD1 PHE 13 20.874 11.394 11.394 96 HD2 PHE 13 HD2 PHE 13 18.696 9.165 9.165 97 HE1 PHE 13 HE1 PHE 13 18.736 12.327 12.327 98 HE2 PHE 13 HE2 PHE 13 16.561 10.104 10.104 99 HZ PHE 13 HZ PHE 13 16.577 11.685 11.685 100 H CYS 14 H CYS 14 20.728 12.812 12.812 101 HA CYS 14 HA CYS 14 21.438 13.914 13.914 102 1HB CYS 14 HB2 CYS 14 20.139 15.025 15.025 103 2HB CYS 14 HB1 CYS 14 20.499 16.056 16.056 104 HG CYS 14 HG CYS 14 17.807 15.477 15.477 105 H PHE 15 H PHE 15 22.725 14.306 14.306 106 HA PHE 15 HA PHE 15 24.644 16.409 16.409 107 1HB PHE 15 HB2 PHE 15 24.766 14.950 14.950 108 2HB PHE 15 HB1 PHE 15 25.094 16.634 16.634 109 HD1 PHE 15 HD1 PHE 15 22.793 17.835 17.835 110 HD2 PHE 15 HD2 PHE 15 22.944 14.682 14.682 111 HE1 PHE 15 HE1 PHE 15 20.540 18.487 18.487 112 HE2 PHE 15 HE2 PHE 15 20.688 15.342 15.342 113 HZ PHE 15 HZ PHE 15 19.483 17.243 17.243 114 H LEU 16 H LEU 16 24.461 13.305 13.305 115 HA LEU 16 HA LEU 16 27.148 12.496 12.496 116 1HB LEU 16 HB2 LEU 16 24.838 11.148 11.148 117 2HB LEU 16 HB1 LEU 16 25.755 10.863 10.863 118 HG LEU 16 HG LEU 16 26.057 9.068 9.068 119 1HD1 LEU 16 HD1 LEU 16 28.569 10.759 10.759 120 2HD1 LEU 16 HD1 LEU 16 28.545 9.029 9.029 121 3HD1 LEU 16 HD1 LEU 16 27.939 9.558 9.558 122 1HD2 LEU 16 HD2 LEU 16 25.663 10.261 10.261 123 2HD2 LEU 16 HD2 LEU 16 27.236 9.421 9.421 124 3HD2 LEU 16 HD2 LEU 16 27.171 11.175 11.175 125 H GLU 17 H GLU 17 28.976 12.778 12.778 126 HA GLU 17 HA GLU 17 29.172 14.521 14.521 127 1HB GLU 17 HB2 GLU 17 30.893 12.027 12.027 128 2HB GLU 17 HB1 GLU 17 31.341 13.657 13.657 129 1HG GLU 17 HG2 GLU 17 32.226 13.841 13.841 130 2HG GLU 17 HG1 GLU 17 30.547 14.158 14.158 131 H GLU 18 H GLU 18 29.364 14.367 14.367 132 HA GLU 18 HA GLU 18 27.358 12.661 12.661 133 1HB GLU 18 HB2 GLU 18 27.657 13.837 13.837 134 2HB GLU 18 HB1 GLU 18 28.262 15.010 15.010 135 1HG GLU 18 HG2 GLU 18 30.536 13.567 13.567 136 2HG GLU 18 HG1 GLU 18 29.711 13.458 13.458 137 H ASP 19 H ASP 19 27.592 10.912 10.912 138 HA ASP 19 HA ASP 19 30.318 9.753 9.753 139 1HB ASP 19 HB2 ASP 19 28.999 8.762 8.762 140 2HB ASP 19 HB1 ASP 19 27.875 8.129 8.129 141 HA PRO 20 HA PRO 20 28.299 9.375 9.375 142 1HB PRO 20 HB2 PRO 20 30.726 9.524 9.524 143 2HB PRO 20 HB1 PRO 20 29.760 10.935 10.935 144 1HG PRO 20 HG2 PRO 20 32.303 9.938 9.938 145 2HG PRO 20 HG1 PRO 20 31.545 11.535 11.535 146 1HD PRO 20 HD2 PRO 20 31.660 9.464 9.464 147 2HD PRO 20 HD1 PRO 20 30.817 11.023 11.023 148 H GLY 21 H GLY 21 29.487 7.191 7.191 149 1HA GLY 21 HA1 GLY 21 29.704 4.900 4.900 150 2HA GLY 21 HA2 GLY 21 28.996 4.994 4.994 151 H ILE 22 H ILE 22 30.554 3.272 3.272 152 HA ILE 22 HA ILE 22 33.332 4.268 4.268 153 HB ILE 22 HB ILE 22 32.424 1.479 1.479 154 1HG1 ILE 22 HG1 ILE 22 32.817 2.866 2.866 155 2HG1 ILE 22 HG1 ILE 22 31.604 1.662 1.662 156 1HG2 ILE 22 HG2 ILE 22 35.096 2.660 2.660 157 2HG2 ILE 22 HG2 ILE 22 34.756 0.918 0.918 158 3HG2 ILE 22 HG2 ILE 22 34.688 1.999 1.999 159 1HD1 ILE 22 HD1 ILE 22 34.580 1.117 1.117 160 2HD1 ILE 22 HD1 ILE 22 33.251 0.706 0.706 161 3HD1 ILE 22 HD1 ILE 22 33.370 -0.098 -0.098 162 H CYS 23 H CYS 23 30.510 3.119 3.119 163 HA CYS 23 HA CYS 23 31.762 2.847 2.847 164 1HB CYS 23 HB2 CYS 23 29.001 3.945 3.945 165 2HB CYS 23 HB1 CYS 23 29.677 2.659 2.659 166 HG CYS 23 HG CYS 23 29.906 1.310 1.310 167 H ARG 24 H ARG 24 30.021 4.731 4.731 168 HA ARG 24 HA ARG 24 30.787 7.405 7.405 169 1HB ARG 24 HB2 ARG 24 32.125 7.742 7.742 170 2HB ARG 24 HB1 ARG 24 32.961 6.963 6.963 171 1HG ARG 24 HG2 ARG 24 31.638 4.905 4.905 172 2HG ARG 24 HG1 ARG 24 32.451 5.950 5.950 173 1HD ARG 24 HD2 ARG 24 34.591 5.592 5.592 174 2HD ARG 24 HD1 ARG 24 33.858 4.907 4.907 175 HE ARG 24 HE ARG 24 32.978 3.231 3.231 176 1HH1 ARG 24 HH1 ARG 24 36.149 4.410 4.410 177 2HH1 ARG 24 HH1 ARG 24 37.030 2.971 2.971 178 1HH2 ARG 24 HH2 ARG 24 34.125 1.310 1.310 179 2HH2 ARG 24 HH2 ARG 24 35.874 1.200 1.200 180 H GLY 25 H GLY 25 30.515 8.822 8.822 181 1HA GLY 25 HA1 GLY 25 29.135 8.642 8.642 182 2HA GLY 25 HA2 GLY 25 27.897 7.867 7.867 183 H TYR 26 H TYR 26 28.554 9.620 9.620 184 HA TYR 26 HA TYR 26 27.773 11.618 11.618 185 1HB TYR 26 HB1 TYR 26 28.583 12.604 12.604 186 2HB TYR 26 HB2 TYR 26 28.142 13.658 13.658 187 HD1 TYR 26 HD2 TYR 26 29.735 11.072 11.072 188 HD2 TYR 26 HD1 TYR 26 30.655 14.336 14.336 189 HE1 TYR 26 HE2 TYR 26 32.077 11.085 11.085 190 HE2 TYR 26 HE1 TYR 26 32.996 14.348 14.348 191 HH TYR 26 HH TYR 26 34.613 12.344 12.344 192 H ILE 27 H ILE 27 25.646 11.689 11.689 193 HA ILE 27 HA ILE 27 23.799 11.878 11.878 194 HB ILE 27 HB ILE 27 23.100 10.830 10.830 195 1HG1 ILE 27 HG1 ILE 27 23.252 8.609 8.609 196 2HG1 ILE 27 HG1 ILE 27 24.693 9.562 9.562 197 1HG2 ILE 27 HG2 ILE 27 21.777 10.534 10.534 198 2HG2 ILE 27 HG2 ILE 27 21.237 9.726 9.726 199 3HG2 ILE 27 HG2 ILE 27 21.189 11.495 11.495 200 1HD1 ILE 27 HD1 ILE 27 23.867 8.684 8.684 201 2HD1 ILE 27 HD1 ILE 27 25.162 7.955 7.955 202 3HD1 ILE 27 HD1 ILE 27 25.320 9.622 9.622 203 H THR 28 H THR 28 25.337 13.934 13.934 204 HA THR 28 HA THR 28 24.903 15.899 15.899 205 HB THR 28 HB THR 28 22.820 15.858 15.858 206 HG1 THR 28 HG1 THR 28 24.657 16.229 16.229 207 1HG2 THR 28 HG2 THR 28 23.510 17.924 17.924 208 2HG2 THR 28 HG2 THR 28 23.383 18.478 18.478 209 3HG2 THR 28 HG2 THR 28 21.980 17.726 17.726 210 H ARG 29 H ARG 29 24.275 14.198 14.198 211 HA ARG 29 HA ARG 29 21.414 14.378 14.378 212 1HB ARG 29 HB2 ARG 29 23.766 12.970 12.970 213 2HB ARG 29 HB1 ARG 29 22.114 12.961 12.961 214 1HG ARG 29 HG2 ARG 29 22.860 12.007 12.007 215 2HG ARG 29 HG1 ARG 29 22.740 10.929 10.929 216 1HD ARG 29 HD2 ARG 29 20.353 12.524 12.524 217 2HD ARG 29 HD1 ARG 29 20.637 11.904 11.904 218 HE ARG 29 HE ARG 29 19.962 10.383 10.383 219 1HH1 ARG 29 HH1 ARG 29 21.326 10.279 10.279 220 2HH1 ARG 29 HH1 ARG 29 21.032 8.554 8.554 221 1HH2 ARG 29 HH2 ARG 29 19.561 8.092 8.092 222 2HH2 ARG 29 HH2 ARG 29 20.023 7.304 7.304 223 H TYR 30 H TYR 30 21.181 14.665 14.665 224 HA TYR 30 HA TYR 30 22.816 17.079 17.079 225 1HB TYR 30 HB1 TYR 30 19.809 16.756 16.756 226 2HB TYR 30 HB2 TYR 30 20.772 18.129 18.129 227 HD1 TYR 30 HD1 TYR 30 20.006 16.243 16.243 228 HD2 TYR 30 HD2 TYR 30 20.837 20.047 20.047 229 HE1 TYR 30 HE1 TYR 30 19.626 17.395 17.395 230 HE2 TYR 30 HE2 TYR 30 20.456 21.198 21.198 231 HH TYR 30 HH TYR 30 19.614 19.418 19.418 232 H PHE 31 H PHE 31 23.202 17.463 17.463 233 HA PHE 31 HA PHE 31 22.316 15.374 15.374 234 1HB PHE 31 HB2 PHE 31 24.376 14.469 14.469 235 2HB PHE 31 HB1 PHE 31 24.437 14.626 14.626 236 HD1 PHE 31 HD2 PHE 31 25.653 16.625 16.625 237 HD2 PHE 31 HD1 PHE 31 26.022 15.585 15.585 238 HE1 PHE 31 HE2 PHE 31 27.747 17.956 17.956 239 HE2 PHE 31 HE1 PHE 31 28.113 16.918 16.918 240 HZ PHE 31 HZ PHE 31 28.980 18.104 18.104 241 H TYR 32 H TYR 32 22.177 16.215 16.215 242 HA TYR 32 HA TYR 32 22.576 19.087 19.087 243 1HB TYR 32 HB1 TYR 32 20.763 17.611 17.611 244 2HB TYR 32 HB2 TYR 32 22.019 17.168 17.168 245 HD1 TYR 32 HD1 TYR 32 20.017 20.064 20.064 246 HD2 TYR 32 HD2 TYR 32 22.745 18.631 18.631 247 HE1 TYR 32 HE1 TYR 32 19.572 22.090 22.090 248 HE2 TYR 32 HE2 TYR 32 22.298 20.659 20.659 249 HH TYR 32 HH TYR 32 19.938 23.166 23.166 250 H ASN 33 H ASN 33 24.556 19.984 19.984 251 HA ASN 33 HA ASN 33 26.682 18.413 18.413 252 1HB ASN 33 HB2 ASN 33 26.874 19.717 19.717 253 2HB ASN 33 HB1 ASN 33 27.065 21.136 21.136 254 1HD2 ASN 33 HD2 ASN 33 30.471 19.939 19.939 255 2HD2 ASN 33 HD2 ASN 33 29.098 20.679 20.679 256 H ASN 34 H ASN 34 27.021 18.748 18.748 257 HA ASN 34 HA ASN 34 25.788 20.893 20.893 258 1HB ASN 34 HB2 ASN 34 26.368 18.890 18.890 259 2HB ASN 34 HB1 ASN 34 28.049 18.956 18.956 260 1HD2 ASN 34 HD2 ASN 34 29.173 21.338 21.338 261 2HD2 ASN 34 HD2 ASN 34 29.458 20.532 20.532 262 H GLN 35 H GLN 35 28.944 20.465 20.465 263 HA GLN 35 HA GLN 35 30.427 22.448 22.448 264 1HB GLN 35 HB2 GLN 35 30.806 20.830 20.830 265 2HB GLN 35 HB1 GLN 35 30.656 22.414 22.414 266 1HG GLN 35 HG2 GLN 35 32.548 23.270 23.270 267 2HG GLN 35 HG1 GLN 35 32.426 22.106 22.106 268 1HE2 GLN 35 HE2 GLN 35 33.142 22.519 22.519 269 2HE2 GLN 35 HE2 GLN 35 34.249 21.153 21.153 270 H THR 36 H THR 36 27.790 22.749 22.749 271 HA THR 36 HA THR 36 27.992 25.717 25.717 272 HB THR 36 HB THR 36 27.076 25.862 25.862 273 HG1 THR 36 HG1 THR 36 25.825 24.154 24.154 274 1HG2 THR 36 HG2 THR 36 29.455 24.065 24.065 275 2HG2 THR 36 HG2 THR 36 28.799 24.069 24.069 276 3HG2 THR 36 HG2 THR 36 29.409 25.580 25.580 277 H LYS 37 H LYS 37 26.377 23.009 23.009 278 HA LYS 37 HA LYS 37 24.300 22.582 22.582 279 1HB LYS 37 HB2 LYS 37 24.772 25.450 25.450 280 2HB LYS 37 HB1 LYS 37 23.209 24.701 24.701 281 1HG LYS 37 HG2 LYS 37 24.121 23.608 23.608 282 2HG LYS 37 HG1 LYS 37 25.369 22.900 22.900 283 1HD LYS 37 HD2 LYS 37 25.431 25.584 25.584 284 2HD LYS 37 HD1 LYS 37 26.480 24.182 24.182 285 1HE LYS 37 HE2 LYS 37 26.838 24.695 24.695 286 2HE LYS 37 HE1 LYS 37 26.675 26.322 26.322 287 1HZ LYS 37 HZ1 LYS 37 28.538 24.226 24.226 288 2HZ LYS 37 HZ3 LYS 37 28.940 25.561 25.561 289 3HZ LYS 37 HZ2 LYS 37 28.404 25.752 25.752 290 H GLN 38 H GLN 38 24.167 22.528 22.528 291 HA GLN 38 HA GLN 38 21.465 23.223 23.223 292 1HB GLN 38 HB2 GLN 38 22.715 25.494 25.494 293 2HB GLN 38 HB1 GLN 38 23.372 24.814 24.814 294 1HG GLN 38 HG2 GLN 38 20.561 24.286 24.286 295 2HG GLN 38 HG1 GLN 38 20.774 25.983 25.983 296 1HE2 GLN 38 HE2 GLN 38 21.460 24.637 24.637 297 2HE2 GLN 38 HE2 GLN 38 21.015 23.584 23.584 298 H CYS 39 H CYS 39 20.747 22.380 22.380 299 HA CYS 39 HA CYS 39 22.092 20.020 20.020 300 1HB CYS 39 HB2 CYS 39 20.043 21.650 21.650 301 2HB CYS 39 HB1 CYS 39 20.588 20.035 20.035 302 HG CYS 39 HG CYS 39 19.774 19.240 19.240 303 H GLU 40 H GLU 40 23.771 19.566 19.566 304 HA GLU 40 HA GLU 40 24.663 21.789 21.789 305 1HB GLU 40 HB2 GLU 40 26.474 19.682 19.682 306 2HB GLU 40 HB1 GLU 40 26.952 21.152 21.152 307 1HG GLU 40 HG2 GLU 40 25.497 21.032 21.032 308 2HG GLU 40 HG1 GLU 40 27.212 21.426 21.426 309 H ARG 41 H ARG 41 24.817 21.346 21.346 310 HA ARG 41 HA ARG 41 23.851 18.820 18.820 311 1HB ARG 41 HB2 ARG 41 24.378 21.408 21.408 312 2HB ARG 41 HB1 ARG 41 25.341 20.253 20.253 313 1HG ARG 41 HG2 ARG 41 23.440 19.084 19.084 314 2HG ARG 41 HG1 ARG 41 22.452 19.638 19.638 315 1HD ARG 41 HD2 ARG 41 21.586 21.125 21.125 316 2HD ARG 41 HD1 ARG 41 23.098 22.021 22.021 317 HE ARG 41 HE ARG 41 22.288 20.436 20.436 318 1HH1 ARG 41 HH1 ARG 41 24.985 21.844 21.844 319 2HH1 ARG 41 HH1 ARG 41 26.093 21.884 21.884 320 1HH2 ARG 41 HH2 ARG 41 23.739 20.480 20.480 321 2HH2 ARG 41 HH2 ARG 41 25.381 21.105 21.105 322 H PHE 42 H PHE 42 24.959 16.943 16.943 323 HA PHE 42 HA PHE 42 27.898 17.035 17.035 324 1HB PHE 42 HB2 PHE 42 28.487 15.794 15.794 325 2HB PHE 42 HB1 PHE 42 27.182 16.726 16.726 326 HD1 PHE 42 HD2 PHE 42 24.734 15.625 15.625 327 HD2 PHE 42 HD1 PHE 42 28.466 13.446 13.446 328 HE1 PHE 42 HE2 PHE 42 23.552 13.540 13.540 329 HE2 PHE 42 HE1 PHE 42 27.276 11.367 11.367 330 HZ PHE 42 HZ PHE 42 24.820 11.410 11.410 331 H LYS 43 H LYS 43 28.593 15.391 15.391 332 HA LYS 43 HA LYS 43 26.504 14.003 14.003 333 1HB LYS 43 HB2 LYS 43 28.712 12.952 12.952 334 2HB LYS 43 HB1 LYS 43 28.111 14.570 14.570 335 1HG LYS 43 HG2 LYS 43 29.939 14.330 14.330 336 2HG LYS 43 HG1 LYS 43 30.661 14.098 14.098 337 1HD LYS 43 HD2 LYS 43 28.935 16.375 16.375 338 2HD LYS 43 HD1 LYS 43 29.895 16.552 16.552 339 1HE LYS 43 HE2 LYS 43 31.895 15.843 15.843 340 2HE LYS 43 HE1 LYS 43 30.795 16.414 16.414 341 1HZ LYS 43 HZ1 LYS 43 31.675 17.967 17.967 342 2HZ LYS 43 HZ3 LYS 43 32.235 18.149 18.149 343 3HZ LYS 43 HZ2 LYS 43 30.658 18.516 18.516 344 H TYR 44 H TYR 44 25.699 11.976 11.976 345 HA TYR 44 HA TYR 44 27.027 10.492 10.492 346 1HB TYR 44 HB1 TYR 44 24.635 10.790 10.790 347 2HB TYR 44 HB2 TYR 44 24.324 10.239 10.239 348 HD1 TYR 44 HD2 TYR 44 26.836 8.368 8.368 349 HD2 TYR 44 HD1 TYR 44 22.634 8.625 8.625 350 HE1 TYR 44 HE2 TYR 44 26.506 6.045 6.045 351 HE2 TYR 44 HE1 TYR 44 22.305 6.302 6.302 352 HH TYR 44 HH TYR 44 23.422 4.620 4.620 353 H GLY 45 H GLY 45 28.728 10.470 10.470 354 1HA GLY 45 HA1 GLY 45 28.297 8.456 8.456 355 2HA GLY 45 HA2 GLY 45 29.868 9.087 9.087 356 H GLY 46 H GLY 46 27.156 7.006 7.006 357 1HA GLY 46 HA1 GLY 46 28.988 4.791 4.791 358 2HA GLY 46 HA2 GLY 46 28.424 5.592 5.592 359 H CYS 47 H CYS 47 27.656 3.034 3.034 360 HA CYS 47 HA CYS 47 24.890 3.140 3.140 361 1HB CYS 47 HB2 CYS 47 26.389 0.608 0.608 362 2HB CYS 47 HB1 CYS 47 24.931 0.831 0.831 363 HG CYS 47 HG CYS 47 26.155 1.459 1.459 364 H LEU 48 H LEU 48 26.737 3.374 3.374 365 HA LEU 48 HA LEU 48 24.493 3.239 3.239 366 1HB LEU 48 HB2 LEU 48 24.821 0.814 0.814 367 2HB LEU 48 HB1 LEU 48 26.344 0.908 0.908 368 HG LEU 48 HG LEU 48 25.301 1.114 1.114 369 1HD1 LEU 48 HD1 LEU 48 22.778 2.085 2.085 370 2HD1 LEU 48 HD1 LEU 48 22.951 1.855 1.855 371 3HD1 LEU 48 HD1 LEU 48 23.933 3.070 3.070 372 1HD2 LEU 48 HD2 LEU 48 24.796 -1.118 -1.118 373 2HD2 LEU 48 HD2 LEU 48 23.449 -0.554 -0.554 374 3HD2 LEU 48 HD2 LEU 48 23.300 -0.517 -0.517 375 H GLY 49 H GLY 49 25.636 5.339 5.339 376 1HA GLY 49 HA1 GLY 49 28.130 5.177 5.177 377 2HA GLY 49 HA2 GLY 49 27.543 6.601 6.601 378 H ASN 50 H ASN 50 27.551 4.849 4.849 379 HA ASN 50 HA ASN 50 26.145 5.033 5.033 380 1HB ASN 50 HB2 ASN 50 26.713 7.040 7.040 381 2HB ASN 50 HB1 ASN 50 28.087 6.746 6.746 382 1HD2 ASN 50 HD2 ASN 50 27.367 10.327 10.327 383 2HD2 ASN 50 HD2 ASN 50 28.029 9.173 9.173 384 H MET 51 H MET 51 24.960 7.713 7.713 385 HA MET 51 HA MET 51 22.459 7.415 7.415 386 1HB MET 51 HB2 MET 51 22.824 8.880 8.880 387 2HB MET 51 HB1 MET 51 21.311 8.323 8.323 388 1HG MET 51 HG2 MET 51 23.537 6.433 6.433 389 2HG MET 51 HG1 MET 51 22.200 6.905 6.905 390 1HE MET 51 HE1 MET 51 19.700 6.212 6.212 391 2HE MET 51 HE3 MET 51 19.489 4.518 4.518 392 3HE MET 51 HE2 MET 51 20.690 4.928 4.928 393 H ASN 52 H ASN 52 21.855 10.165 10.165 394 HA ASN 52 HA ASN 52 21.549 12.238 12.238 395 1HB ASN 52 HB2 ASN 52 23.676 12.210 12.210 396 2HB ASN 52 HB1 ASN 52 24.576 12.344 12.344 397 1HD2 ASN 52 HD2 ASN 52 24.200 15.804 15.804 398 2HD2 ASN 52 HD2 ASN 52 25.122 14.340 14.340 399 H ASN 53 H ASN 53 21.114 10.736 10.736 400 HA ASN 53 HA ASN 53 22.808 11.931 11.931 401 1HB ASN 53 HB2 ASN 53 23.652 9.675 9.675 402 2HB ASN 53 HB1 ASN 53 22.025 9.007 9.007 403 1HD2 ASN 53 HD2 ASN 53 21.457 8.483 8.483 404 2HD2 ASN 53 HD2 ASN 53 21.134 8.112 8.112 405 H PHE 54 H PHE 54 20.661 13.292 13.292 406 HA PHE 54 HA PHE 54 18.152 12.231 12.231 407 1HB PHE 54 HB2 PHE 54 19.094 15.103 15.103 408 2HB PHE 54 HB1 PHE 54 17.438 14.544 14.544 409 HD1 PHE 54 HD2 PHE 54 16.237 13.444 13.444 410 HD2 PHE 54 HD1 PHE 54 20.263 14.949 14.949 411 HE1 PHE 54 HE2 PHE 54 15.996 13.310 13.310 412 HE2 PHE 54 HE1 PHE 54 20.013 14.811 14.811 413 HZ PHE 54 HZ PHE 54 17.881 13.994 13.994 414 H GLU 55 H GLU 55 17.130 13.796 13.796 415 HA GLU 55 HA GLU 55 19.030 13.566 13.566 416 1HB GLU 55 HB2 GLU 55 16.011 13.192 13.192 417 2HB GLU 55 HB1 GLU 55 17.031 13.198 13.198 418 1HG GLU 55 HG2 GLU 55 18.358 11.353 11.353 419 2HG GLU 55 HG1 GLU 55 16.722 11.127 11.127 420 H THR 56 H THR 56 16.556 15.478 15.478 421 HA THR 56 HA THR 56 17.304 17.792 17.792 422 HB THR 56 HB THR 56 14.708 18.401 18.401 423 HG1 THR 56 HG1 THR 56 13.661 16.556 16.556 424 1HG2 THR 56 HG2 THR 56 15.925 16.840 16.840 425 2HG2 THR 56 HG2 THR 56 14.158 16.821 16.821 426 3HG2 THR 56 HG2 THR 56 15.001 18.366 18.366 427 H LEU 57 H LEU 57 17.431 19.839 19.839 428 HA LEU 57 HA LEU 57 18.447 19.688 19.688 429 1HB LEU 57 HB2 LEU 57 18.928 21.380 21.380 430 2HB LEU 57 HB1 LEU 57 17.371 22.135 22.135 431 HG LEU 57 HG LEU 57 18.467 22.031 22.031 432 1HD1 LEU 57 HD1 LEU 57 20.849 22.367 22.367 433 2HD1 LEU 57 HD1 LEU 57 20.862 22.705 22.705 434 3HD1 LEU 57 HD1 LEU 57 20.584 21.054 21.054 435 1HD2 LEU 57 HD2 LEU 57 17.522 24.048 24.048 436 2HD2 LEU 57 HD2 LEU 57 19.102 24.428 24.428 437 3HD2 LEU 57 HD2 LEU 57 18.962 24.237 24.237 438 H GLU 58 H GLU 58 15.214 20.625 20.625 439 HA GLU 58 HA GLU 58 14.113 21.459 21.459 440 1HB GLU 58 HB2 GLU 58 13.205 21.368 21.368 441 2HB GLU 58 HB1 GLU 58 12.302 20.008 20.008 442 1HG GLU 58 HG2 GLU 58 11.477 21.505 21.505 443 2HG GLU 58 HG1 GLU 58 12.388 22.854 22.854 444 H GLU 59 H GLU 59 14.477 18.216 18.216 445 HA GLU 59 HA GLU 59 12.894 16.877 16.877 446 1HB GLU 59 HB2 GLU 59 14.019 16.159 16.159 447 2HB GLU 59 HB1 GLU 59 15.050 15.295 15.295 448 1HG GLU 59 HG2 GLU 59 13.409 13.802 13.802 449 2HG GLU 59 HG1 GLU 59 12.224 15.095 15.095 450 H CYS 60 H CYS 60 16.427 17.487 17.487 451 HA CYS 60 HA CYS 60 17.186 16.036 16.036 452 1HB CYS 60 HB2 CYS 60 18.863 16.421 16.421 453 2HB CYS 60 HB1 CYS 60 18.483 18.150 18.150 454 HG CYS 60 HG CYS 60 20.715 16.622 16.622 455 H LYS 61 H LYS 61 15.888 19.270 19.270 456 HA LYS 61 HA LYS 61 16.644 20.202 20.202 457 1HB LYS 61 HB2 LYS 61 15.056 21.381 21.381 458 2HB LYS 61 HB1 LYS 61 15.125 22.166 22.166 459 1HG LYS 61 HG2 LYS 61 17.709 21.909 21.909 460 2HG LYS 61 HG1 LYS 61 17.378 21.601 21.601 461 1HD LYS 61 HD2 LYS 61 16.561 23.777 23.777 462 2HD LYS 61 HD1 LYS 61 16.176 24.017 24.017 463 1HE LYS 61 HE2 LYS 61 18.425 24.455 24.455 464 2HE LYS 61 HE1 LYS 61 19.046 23.630 23.630 465 1HZ LYS 61 HZ1 LYS 61 17.558 26.184 26.184 466 2HZ LYS 61 HZ3 LYS 61 19.205 26.007 26.007 467 3HZ LYS 61 HZ2 LYS 61 18.150 25.427 25.427 468 H ASN 62 H ASN 62 13.614 19.210 19.210 469 HA ASN 62 HA ASN 62 11.800 19.591 19.591 470 1HB ASN 62 HB2 ASN 62 11.903 18.112 18.112 471 2HB ASN 62 HB1 ASN 62 11.152 17.104 17.104 472 1HD2 ASN 62 HD2 ASN 62 9.479 20.855 20.855 473 2HD2 ASN 62 HD2 ASN 62 11.227 20.610 20.610 474 H ILE 63 H ILE 63 14.063 16.870 16.870 475 HA ILE 63 HA ILE 63 13.058 15.350 15.350 476 HB ILE 63 HB ILE 63 15.191 15.080 15.080 477 1HG1 ILE 63 HG1 ILE 63 12.867 14.253 14.253 478 2HG1 ILE 63 HG1 ILE 63 14.086 12.969 12.969 479 1HG2 ILE 63 HG2 ILE 63 15.128 13.435 13.435 480 2HG2 ILE 63 HG2 ILE 63 16.091 13.041 13.041 481 3HG2 ILE 63 HG2 ILE 63 16.422 14.525 14.525 482 1HD1 ILE 63 HD1 ILE 63 12.366 13.570 13.570 483 2HD1 ILE 63 HD1 ILE 63 12.123 12.224 12.224 484 3HD1 ILE 63 HD1 ILE 63 13.571 12.272 12.272 485 H CYS 64 H CYS 64 16.119 17.161 17.161 486 HA CYS 64 HA CYS 64 16.881 16.971 16.971 487 1HB CYS 64 HB2 CYS 64 18.239 18.657 18.657 488 2HB CYS 64 HB1 CYS 64 18.920 17.942 17.942 489 HG CYS 64 HG CYS 64 19.078 16.755 16.755 490 H GLU 65 H GLU 65 17.025 19.907 19.907 491 HA GLU 65 HA GLU 65 16.731 21.810 21.810 492 1HB GLU 65 HB2 GLU 65 15.738 21.619 21.619 493 2HB GLU 65 HB1 GLU 65 15.138 22.969 22.969 494 1HG GLU 65 HG2 GLU 65 17.828 23.011 23.011 495 2HG GLU 65 HG1 GLU 65 17.851 22.442 22.442 496 H ASP 66 H ASP 66 14.210 19.562 19.562 497 HA ASP 66 HA ASP 66 12.024 19.286 19.286 498 1HB ASP 66 HB2 ASP 66 11.631 19.465 19.465 499 2HB ASP 66 HB1 ASP 66 13.118 18.575 18.575 500 H GLY 67 H GLY 67 12.458 21.750 21.750 501 1HA GLY 67 HA1 GLY 67 11.744 24.131 24.131 502 2HA GLY 67 HA2 GLY 67 11.131 23.611 23.611 503 HA PRO 68 HA PRO 68 7.738 23.672 23.672 504 1HB PRO 68 HB2 PRO 68 6.801 26.318 26.318 505 2HB PRO 68 HB1 PRO 68 7.909 25.802 25.802 506 1HG PRO 68 HG2 PRO 68 8.439 27.379 27.379 507 2HG PRO 68 HG1 PRO 68 9.403 27.209 27.209 508 1HD PRO 68 HD2 PRO 68 9.894 25.991 25.991 509 2HD PRO 68 HD1 PRO 68 10.784 25.750 25.750 510 H ASN 69 H ASN 69 7.645 22.440 22.440 511 HA ASN 69 HA ASN 69 5.409 23.650 23.650 512 1HB ASN 69 HB2 ASN 69 7.426 22.740 22.740 513 2HB ASN 69 HB1 ASN 69 7.062 21.140 21.140 514 1HD2 ASN 69 HD2 ASN 69 5.595 20.969 20.969 515 2HD2 ASN 69 HD2 ASN 69 7.147 20.889 20.889 516 H GLY 70 H GLY 70 4.577 22.950 22.950 517 1HA GLY 70 HA1 GLY 70 2.530 21.830 21.830 518 2HA GLY 70 HA2 GLY 70 2.927 20.528 20.528 519 H PHE 71 H PHE 71 5.829 20.561 20.561 520 HA PHE 71 HA PHE 71 5.709 18.474 18.474 521 1HB PHE 71 HB2 PHE 71 7.747 20.165 20.165 522 2HB PHE 71 HB1 PHE 71 8.176 19.641 19.641 523 HD1 PHE 71 HD2 PHE 71 6.228 17.797 17.797 524 HD2 PHE 71 HD1 PHE 71 9.817 17.971 17.971 525 HE1 PHE 71 HE2 PHE 71 6.924 15.574 15.574 526 HE2 PHE 71 HE1 PHE 71 10.505 15.749 15.749 527 HZ PHE 71 HZ PHE 71 9.061 14.547 14.547 Start of MODEL 22 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.795 -0.839 -0.839 3 1HB ASP 1 HB2 ASP 1 2.913 1.566 1.566 4 2HB ASP 1 HB1 ASP 1 1.235 1.128 1.128 5 H TYR 2 H TYR 2 3.443 -2.215 -2.215 6 HA TYR 2 HA TYR 2 5.932 -0.682 -0.682 7 1HB TYR 2 HB1 TYR 2 6.443 -3.161 -3.161 8 2HB TYR 2 HB2 TYR 2 5.755 -1.847 -1.847 9 HD1 TYR 2 HD1 TYR 2 3.045 -1.633 -1.633 10 HD2 TYR 2 HD2 TYR 2 5.347 -5.241 -5.241 11 HE1 TYR 2 HE1 TYR 2 1.042 -3.000 -3.000 12 HE2 TYR 2 HE2 TYR 2 3.341 -6.607 -6.607 13 HH TYR 2 HH TYR 2 0.634 -6.167 -6.167 14 H LYS 3 H LYS 3 5.529 -0.807 -0.807 15 HA LYS 3 HA LYS 3 7.713 -2.320 -2.320 16 1HB LYS 3 HB2 LYS 3 6.876 -4.206 -4.206 17 2HB LYS 3 HB1 LYS 3 5.834 -4.101 -4.101 18 1HG LYS 3 HG2 LYS 3 4.118 -2.924 -2.924 19 2HG LYS 3 HG1 LYS 3 5.168 -3.097 -3.097 20 1HD LYS 3 HD2 LYS 3 3.917 -5.339 -5.339 21 2HD LYS 3 HD1 LYS 3 3.463 -4.859 -4.859 22 1HE LYS 3 HE2 LYS 3 5.771 -5.471 -5.471 23 2HE LYS 3 HE1 LYS 3 6.151 -6.006 -6.006 24 1HZ LYS 3 HZ1 LYS 3 4.016 -7.100 -7.100 25 2HZ LYS 3 HZ3 LYS 3 5.488 -7.820 -7.820 26 3HZ LYS 3 HZ2 LYS 3 4.375 -7.618 -7.618 27 H ASP 4 H ASP 4 4.490 -0.928 -0.928 28 HA ASP 4 HA ASP 4 4.998 -0.213 -0.213 29 1HB ASP 4 HB2 ASP 4 2.859 0.016 0.016 30 2HB ASP 4 HB1 ASP 4 3.553 1.562 1.562 31 H ASP 5 H ASP 5 5.482 1.953 1.953 32 HA ASP 5 HA ASP 5 7.372 3.484 3.484 33 1HB ASP 5 HB2 ASP 5 8.202 1.997 1.997 34 2HB ASP 5 HB1 ASP 5 7.647 3.411 3.411 35 H ASP 6 H ASP 6 4.427 3.800 3.800 36 HA ASP 6 HA ASP 6 2.998 5.536 5.536 37 1HB ASP 6 HB2 ASP 6 5.252 7.411 7.411 38 2HB ASP 6 HB1 ASP 6 3.729 7.711 7.711 39 H ASP 7 H ASP 7 3.365 7.812 7.812 40 HA ASP 7 HA ASP 7 3.153 8.328 8.328 41 1HB ASP 7 HB2 ASP 7 5.395 7.862 7.862 42 2HB ASP 7 HB1 ASP 7 5.213 6.141 6.141 43 H LYS 8 H LYS 8 3.700 4.826 4.826 44 HA LYS 8 HA LYS 8 1.081 3.937 3.937 45 1HB LYS 8 HB2 LYS 8 1.503 5.731 5.731 46 2HB LYS 8 HB1 LYS 8 1.111 4.107 4.107 47 1HG LYS 8 HG2 LYS 8 -0.925 4.050 4.050 48 2HG LYS 8 HG1 LYS 8 -0.472 5.534 5.534 49 1HD LYS 8 HD2 LYS 8 -0.915 5.402 5.402 50 2HD LYS 8 HD1 LYS 8 -2.205 5.801 5.801 51 1HE LYS 8 HE2 LYS 8 -0.870 7.731 7.731 52 2HE LYS 8 HE1 LYS 8 0.430 7.310 7.310 53 1HZ LYS 8 HZ1 LYS 8 -2.335 8.049 8.049 54 2HZ LYS 8 HZ3 LYS 8 -0.988 9.030 9.030 55 3HZ LYS 8 HZ2 LYS 8 -1.119 7.672 7.672 56 H LEU 9 H LEU 9 2.361 2.172 2.172 57 HA LEU 9 HA LEU 9 4.074 0.874 0.874 58 1HB LEU 9 HB2 LEU 9 4.117 1.159 1.159 59 2HB LEU 9 HB1 LEU 9 4.005 -0.569 -0.569 60 HG LEU 9 HG LEU 9 5.959 0.957 0.957 61 1HD1 LEU 9 HD1 LEU 9 6.416 0.585 0.585 62 2HD1 LEU 9 HD1 LEU 9 7.671 1.049 1.049 63 3HD1 LEU 9 HD1 LEU 9 6.292 2.123 2.123 64 1HD2 LEU 9 HD2 LEU 9 5.805 -1.486 -1.486 65 2HD2 LEU 9 HD2 LEU 9 7.400 -1.022 -1.022 66 3HD2 LEU 9 HD2 LEU 9 6.141 -1.653 -1.653 67 H LYS 10 H LYS 10 1.218 0.968 0.968 68 HA LYS 10 HA LYS 10 0.011 -1.473 -1.473 69 1HB LYS 10 HB2 LYS 10 -0.768 0.863 0.863 70 2HB LYS 10 HB1 LYS 10 -1.138 -0.499 -0.499 71 1HG LYS 10 HG2 LYS 10 -1.848 -1.090 -1.090 72 2HG LYS 10 HG1 LYS 10 -2.645 0.391 0.391 73 1HD LYS 10 HD2 LYS 10 -3.850 -0.737 -0.737 74 2HD LYS 10 HD1 LYS 10 -2.636 -2.022 -2.022 75 1HE LYS 10 HE2 LYS 10 -4.494 -3.054 -3.054 76 2HE LYS 10 HE1 LYS 10 -3.341 -2.724 -2.724 77 1HZ LYS 10 HZ1 LYS 10 -5.649 -1.034 -1.034 78 2HZ LYS 10 HZ3 LYS 10 -5.565 -2.065 -2.065 79 3HZ LYS 10 HZ2 LYS 10 -4.585 -0.726 -0.726 80 HA PRO 11 HA PRO 11 2.031 -4.268 -4.268 81 1HB PRO 11 HB2 PRO 11 0.089 -6.317 -6.317 82 2HB PRO 11 HB1 PRO 11 1.341 -6.063 -6.063 83 1HG PRO 11 HG2 PRO 11 -1.544 -5.499 -5.499 84 2HG PRO 11 HG1 PRO 11 -0.368 -5.650 -5.650 85 1HD PRO 11 HD2 PRO 11 -1.494 -3.240 -3.240 86 2HD PRO 11 HD1 PRO 11 -0.241 -3.405 -3.405 87 H ASP 12 H ASP 12 2.180 -3.621 -3.621 88 HA ASP 12 HA ASP 12 -0.067 -2.933 -2.933 89 1HB ASP 12 HB2 ASP 12 1.475 -2.881 -2.881 90 2HB ASP 12 HB1 ASP 12 2.304 -2.242 -2.242 91 H PHE 13 H PHE 13 1.629 -5.986 -5.986 92 HA PHE 13 HA PHE 13 0.768 -7.576 -7.576 93 1HB PHE 13 HB2 PHE 13 1.306 -9.419 -9.419 94 2HB PHE 13 HB1 PHE 13 2.415 -8.149 -8.149 95 HD1 PHE 13 HD1 PHE 13 -0.915 -9.622 -9.622 96 HD2 PHE 13 HD2 PHE 13 2.720 -7.633 -7.633 97 HE1 PHE 13 HE1 PHE 13 -1.582 -9.874 -9.874 98 HE2 PHE 13 HE2 PHE 13 2.045 -7.889 -7.889 99 HZ PHE 13 HZ PHE 13 -0.105 -9.010 -9.010 100 H CYS 14 H CYS 14 -0.969 -6.301 -6.301 101 HA CYS 14 HA CYS 14 -3.148 -8.121 -8.121 102 1HB CYS 14 HB2 CYS 14 -2.697 -5.404 -5.404 103 2HB CYS 14 HB1 CYS 14 -4.346 -6.058 -6.058 104 HG CYS 14 HG CYS 14 -1.652 -7.226 -7.226 105 H PHE 15 H PHE 15 -2.436 -5.023 -5.023 106 HA PHE 15 HA PHE 15 -5.072 -4.913 -4.913 107 1HB PHE 15 HB2 PHE 15 -2.669 -3.319 -3.319 108 2HB PHE 15 HB1 PHE 15 -4.368 -2.877 -2.877 109 HD1 PHE 15 HD1 PHE 15 -5.417 -3.174 -3.174 110 HD2 PHE 15 HD2 PHE 15 -1.421 -1.987 -1.987 111 HE1 PHE 15 HE1 PHE 15 -5.146 -1.976 -1.976 112 HE2 PHE 15 HE2 PHE 15 -1.159 -0.791 -0.791 113 HZ PHE 15 HZ PHE 15 -3.018 -0.785 -0.785 114 H LEU 16 H LEU 16 -2.361 -6.882 -6.882 115 HA LEU 16 HA LEU 16 -2.237 -6.804 -6.804 116 1HB LEU 16 HB2 LEU 16 -0.447 -7.390 -7.390 117 2HB LEU 16 HB1 LEU 16 -1.024 -9.027 -9.027 118 HG LEU 16 HG LEU 16 -0.595 -7.842 -7.842 119 1HD1 LEU 16 HD1 LEU 16 1.708 -7.125 -7.125 120 2HD1 LEU 16 HD1 LEU 16 1.762 -7.041 -7.041 121 3HD1 LEU 16 HD1 LEU 16 0.652 -5.997 -5.997 122 1HD2 LEU 16 HD2 LEU 16 -0.147 -10.194 -10.194 123 2HD2 LEU 16 HD2 LEU 16 1.303 -9.453 -9.453 124 3HD2 LEU 16 HD2 LEU 16 1.228 -9.727 -9.727 125 H GLU 17 H GLU 17 -3.458 -7.984 -7.984 126 HA GLU 17 HA GLU 17 -5.753 -9.279 -9.279 127 1HB GLU 17 HB2 GLU 17 -5.239 -10.726 -10.726 128 2HB GLU 17 HB1 GLU 17 -5.629 -8.998 -8.998 129 1HG GLU 17 HG2 GLU 17 -3.404 -8.395 -8.395 130 2HG GLU 17 HG1 GLU 17 -2.756 -9.860 -9.860 131 H GLU 18 H GLU 18 -6.434 -11.431 -11.431 132 HA GLU 18 HA GLU 18 -5.045 -12.890 -12.890 133 1HB GLU 18 HB2 GLU 18 -6.553 -14.621 -14.621 134 2HB GLU 18 HB1 GLU 18 -7.414 -13.273 -13.273 135 1HG GLU 18 HG2 GLU 18 -6.136 -14.086 -14.086 136 2HG GLU 18 HG1 GLU 18 -5.962 -15.604 -15.604 137 H ASP 19 H ASP 19 -3.320 -14.288 -14.288 138 HA ASP 19 HA ASP 19 -2.108 -15.118 -15.118 139 1HB ASP 19 HB2 ASP 19 -0.980 -13.192 -13.192 140 2HB ASP 19 HB1 ASP 19 -0.471 -14.539 -14.539 141 HA PRO 20 HA PRO 20 -2.647 -18.812 -18.812 142 1HB PRO 20 HB2 PRO 20 -3.328 -20.444 -20.444 143 2HB PRO 20 HB1 PRO 20 -4.507 -19.555 -19.555 144 1HG PRO 20 HG2 PRO 20 -3.534 -19.017 -19.017 145 2HG PRO 20 HG1 PRO 20 -4.982 -18.414 -18.414 146 1HD PRO 20 HD2 PRO 20 -2.549 -16.992 -16.992 147 2HD PRO 20 HD1 PRO 20 -3.964 -16.443 -16.443 148 H GLY 21 H GLY 21 -1.015 -18.623 -18.623 149 1HA GLY 21 HA1 GLY 21 1.517 -19.035 -19.035 150 2HA GLY 21 HA2 GLY 21 0.973 -20.623 -20.623 151 H ILE 22 H ILE 22 1.428 -22.117 -22.117 152 HA ILE 22 HA ILE 22 0.436 -21.509 -21.509 153 HB ILE 22 HB ILE 22 3.005 -22.953 -22.953 154 1HG1 ILE 22 HG1 ILE 22 2.763 -19.925 -19.925 155 2HG1 ILE 22 HG1 ILE 22 3.241 -20.831 -20.831 156 1HG2 ILE 22 HG2 ILE 22 1.830 -21.237 -21.237 157 2HG2 ILE 22 HG2 ILE 22 3.431 -22.025 -22.025 158 3HG2 ILE 22 HG2 ILE 22 1.955 -23.008 -23.008 159 1HD1 ILE 22 HD1 ILE 22 4.722 -20.830 -20.830 160 2HD1 ILE 22 HD1 ILE 22 5.216 -19.951 -19.951 161 3HD1 ILE 22 HD1 ILE 22 5.218 -21.726 -21.726 162 H CYS 23 H CYS 23 -0.616 -23.049 -23.049 163 HA CYS 23 HA CYS 23 -0.886 -25.614 -25.614 164 1HB CYS 23 HB2 CYS 23 -0.631 -25.637 -25.637 165 2HB CYS 23 HB1 CYS 23 -0.448 -26.965 -26.965 166 HG CYS 23 HG CYS 23 2.040 -26.042 -26.042 167 H ARG 24 H ARG 24 -2.407 -26.609 -26.609 168 HA ARG 24 HA ARG 24 -4.796 -24.857 -24.857 169 1HB ARG 24 HB2 ARG 24 -4.747 -27.272 -27.272 170 2HB ARG 24 HB1 ARG 24 -5.083 -27.810 -27.810 171 1HG ARG 24 HG2 ARG 24 -7.040 -26.237 -26.237 172 2HG ARG 24 HG1 ARG 24 -6.712 -25.819 -25.819 173 1HD ARG 24 HD2 ARG 24 -8.479 -27.729 -27.729 174 2HD ARG 24 HD1 ARG 24 -7.475 -27.871 -27.871 175 HE ARG 24 HE ARG 24 -7.256 -29.395 -29.395 176 1HH1 ARG 24 HH1 ARG 24 -5.725 -28.436 -28.436 177 2HH1 ARG 24 HH1 ARG 24 -4.588 -29.788 -29.788 178 1HH2 ARG 24 HH2 ARG 24 -5.756 -31.198 -31.198 179 2HH2 ARG 24 HH2 ARG 24 -4.606 -31.365 -31.365 180 H GLY 25 H GLY 25 -3.973 -27.791 -27.791 181 1HA GLY 25 HA1 GLY 25 -4.640 -28.080 -28.080 182 2HA GLY 25 HA2 GLY 25 -3.236 -27.005 -27.005 183 H TYR 26 H TYR 26 -6.840 -27.037 -27.037 184 HA TYR 26 HA TYR 26 -6.918 -24.237 -24.237 185 1HB TYR 26 HB1 TYR 26 -9.174 -26.192 -26.192 186 2HB TYR 26 HB2 TYR 26 -9.378 -24.482 -24.482 187 HD1 TYR 26 HD2 TYR 26 -6.575 -23.935 -23.935 188 HD2 TYR 26 HD1 TYR 26 -10.395 -25.743 -25.743 189 HE1 TYR 26 HE2 TYR 26 -6.266 -23.379 -23.379 190 HE2 TYR 26 HE1 TYR 26 -10.085 -25.187 -25.187 191 HH TYR 26 HH TYR 26 -7.058 -23.893 -23.893 192 H ILE 27 H ILE 27 -7.148 -23.587 -23.587 193 HA ILE 27 HA ILE 27 -8.097 -25.645 -25.645 194 HB ILE 27 HB ILE 27 -6.014 -23.592 -23.592 195 1HG1 ILE 27 HG1 ILE 27 -5.078 -26.380 -26.380 196 2HG1 ILE 27 HG1 ILE 27 -5.645 -25.691 -25.691 197 1HG2 ILE 27 HG2 ILE 27 -6.877 -26.128 -26.128 198 2HG2 ILE 27 HG2 ILE 27 -5.508 -25.087 -25.087 199 3HG2 ILE 27 HG2 ILE 27 -7.166 -24.455 -24.455 200 1HD1 ILE 27 HD1 ILE 27 -3.569 -24.436 -24.436 201 2HD1 ILE 27 HD1 ILE 27 -3.226 -25.282 -25.282 202 3HD1 ILE 27 HD1 ILE 27 -4.117 -23.748 -23.748 203 H THR 28 H THR 28 -9.473 -23.443 -23.443 204 HA THR 28 HA THR 28 -10.895 -21.680 -21.680 205 HB THR 28 HB THR 28 -11.315 -23.419 -23.419 206 HG1 THR 28 HG1 THR 28 -12.599 -22.973 -22.973 207 1HG2 THR 28 HG2 THR 28 -12.643 -20.875 -20.875 208 2HG2 THR 28 HG2 THR 28 -13.698 -22.208 -22.208 209 3HG2 THR 28 HG2 THR 28 -12.552 -21.504 -21.504 210 H ARG 29 H ARG 29 -8.524 -20.595 -20.595 211 HA ARG 29 HA ARG 29 -8.099 -19.428 -19.428 212 1HB ARG 29 HB2 ARG 29 -6.629 -19.105 -19.105 213 2HB ARG 29 HB1 ARG 29 -6.172 -18.267 -18.267 214 1HG ARG 29 HG2 ARG 29 -6.316 -21.291 -21.291 215 2HG ARG 29 HG1 ARG 29 -4.826 -20.326 -20.326 216 1HD ARG 29 HD2 ARG 29 -5.400 -19.594 -19.594 217 2HD ARG 29 HD1 ARG 29 -6.802 -20.681 -20.681 218 HE ARG 29 HE ARG 29 -5.393 -22.499 -22.499 219 1HH1 ARG 29 HH1 ARG 29 -3.524 -19.647 -19.647 220 2HH1 ARG 29 HH1 ARG 29 -1.947 -20.393 -20.393 221 1HH2 ARG 29 HH2 ARG 29 -3.312 -23.511 -23.511 222 2HH2 ARG 29 HH2 ARG 29 -1.826 -22.601 -22.601 223 H TYR 30 H TYR 30 -7.414 -16.874 -16.874 224 HA TYR 30 HA TYR 30 -9.633 -15.650 -15.650 225 1HB TYR 30 HB1 TYR 30 -8.758 -14.877 -14.877 226 2HB TYR 30 HB2 TYR 30 -9.975 -14.044 -14.044 227 HD1 TYR 30 HD1 TYR 30 -9.268 -17.541 -17.541 228 HD2 TYR 30 HD2 TYR 30 -12.227 -14.535 -14.535 229 HE1 TYR 30 HE1 TYR 30 -11.053 -19.015 -19.015 230 HE2 TYR 30 HE2 TYR 30 -14.011 -16.011 -16.011 231 HH TYR 30 HH TYR 30 -13.458 -18.764 -18.764 232 H PHE 31 H PHE 31 -9.269 -13.362 -13.362 233 HA PHE 31 HA PHE 31 -6.481 -12.357 -12.357 234 1HB PHE 31 HB2 PHE 31 -5.925 -12.480 -12.480 235 2HB PHE 31 HB1 PHE 31 -6.667 -14.045 -14.045 236 HD1 PHE 31 HD2 PHE 31 -9.130 -14.415 -14.415 237 HD2 PHE 31 HD1 PHE 31 -6.808 -11.016 -11.016 238 HE1 PHE 31 HE2 PHE 31 -10.735 -14.037 -14.037 239 HE2 PHE 31 HE1 PHE 31 -8.418 -10.646 -10.646 240 HZ PHE 31 HZ PHE 31 -10.382 -12.155 -12.155 241 H TYR 32 H TYR 32 -6.433 -10.116 -10.116 242 HA TYR 32 HA TYR 32 -9.045 -8.833 -8.833 243 1HB TYR 32 HB1 TYR 32 -6.894 -8.185 -8.185 244 2HB TYR 32 HB2 TYR 32 -6.349 -7.434 -7.434 245 HD1 TYR 32 HD1 TYR 32 -8.982 -7.265 -7.265 246 HD2 TYR 32 HD2 TYR 32 -7.216 -5.332 -5.332 247 HE1 TYR 32 HE1 TYR 32 -10.230 -5.188 -5.188 248 HE2 TYR 32 HE2 TYR 32 -8.465 -3.254 -3.254 249 HH TYR 32 HH TYR 32 -10.104 -2.697 -2.697 250 H ASN 33 H ASN 33 -10.186 -8.648 -8.648 251 HA ASN 33 HA ASN 33 -8.698 -8.176 -8.176 252 1HB ASN 33 HB2 ASN 33 -10.589 -9.906 -9.906 253 2HB ASN 33 HB1 ASN 33 -11.698 -8.535 -8.535 254 1HD2 ASN 33 HD2 ASN 33 -11.754 -9.522 -9.522 255 2HD2 ASN 33 HD2 ASN 33 -12.174 -10.219 -10.219 256 H ASN 34 H ASN 34 -8.331 -6.116 -6.116 257 HA ASN 34 HA ASN 34 -9.502 -3.857 -3.857 258 1HB ASN 34 HB2 ASN 34 -8.444 -2.564 -2.564 259 2HB ASN 34 HB1 ASN 34 -7.380 -3.961 -3.961 260 1HD2 ASN 34 HD2 ASN 34 -7.714 -5.307 -5.307 261 2HD2 ASN 34 HD2 ASN 34 -7.053 -5.423 -5.423 262 H GLN 35 H GLN 35 -10.451 -5.800 -5.800 263 HA GLN 35 HA GLN 35 -12.247 -4.121 -4.121 264 1HB GLN 35 HB2 GLN 35 -11.635 -6.804 -6.804 265 2HB GLN 35 HB1 GLN 35 -13.322 -6.847 -6.847 266 1HG GLN 35 HG2 GLN 35 -14.091 -5.691 -5.691 267 2HG GLN 35 HG1 GLN 35 -12.487 -5.019 -5.019 268 1HE2 GLN 35 HE2 GLN 35 -13.257 -9.041 -9.041 269 2HE2 GLN 35 HE2 GLN 35 -13.951 -8.230 -8.230 270 H THR 36 H THR 36 -12.855 -6.222 -6.222 271 HA THR 36 HA THR 36 -15.375 -4.685 -4.685 272 HB THR 36 HB THR 36 -16.111 -6.714 -6.714 273 HG1 THR 36 HG1 THR 36 -14.098 -7.293 -7.293 274 1HG2 THR 36 HG2 THR 36 -15.005 -6.999 -6.999 275 2HG2 THR 36 HG2 THR 36 -15.432 -8.487 -8.487 276 3HG2 THR 36 HG2 THR 36 -16.679 -7.262 -7.262 277 H LYS 37 H LYS 37 -12.488 -3.911 -3.911 278 HA LYS 37 HA LYS 37 -11.178 -3.480 -3.480 279 1HB LYS 37 HB2 LYS 37 -13.709 -1.854 -1.854 280 2HB LYS 37 HB1 LYS 37 -12.185 -1.524 -1.524 281 1HG LYS 37 HG2 LYS 37 -11.216 -1.643 -1.643 282 2HG LYS 37 HG1 LYS 37 -12.889 -1.214 -1.214 283 1HD LYS 37 HD2 LYS 37 -11.081 0.309 0.309 284 2HD LYS 37 HD1 LYS 37 -11.417 0.786 0.786 285 1HE LYS 37 HE2 LYS 37 -13.536 0.444 0.444 286 2HE LYS 37 HE1 LYS 37 -12.817 2.001 2.001 287 1HZ LYS 37 HZ1 LYS 37 -14.312 0.189 0.189 288 2HZ LYS 37 HZ3 LYS 37 -14.891 1.602 1.602 289 3HZ LYS 37 HZ2 LYS 37 -13.657 1.652 1.652 290 H GLN 38 H GLN 38 -11.890 -5.952 -5.952 291 HA GLN 38 HA GLN 38 -12.099 -5.936 -5.936 292 1HB GLN 38 HB2 GLN 38 -14.580 -5.700 -5.700 293 2HB GLN 38 HB1 GLN 38 -14.408 -7.464 -7.464 294 1HG GLN 38 HG2 GLN 38 -14.447 -7.704 -7.704 295 2HG GLN 38 HG1 GLN 38 -13.525 -6.212 -6.212 296 1HE2 GLN 38 HE2 GLN 38 -16.503 -4.081 -4.081 297 2HE2 GLN 38 HE2 GLN 38 -14.870 -4.241 -4.241 298 H CYS 39 H CYS 39 -12.333 -8.361 -8.361 299 HA CYS 39 HA CYS 39 -10.416 -9.848 -9.848 300 1HB CYS 39 HB2 CYS 39 -11.722 -10.309 -10.309 301 2HB CYS 39 HB1 CYS 39 -10.704 -11.537 -11.537 302 HG CYS 39 HG CYS 39 -9.802 -8.675 -8.675 303 H GLU 40 H GLU 40 -10.901 -11.360 -11.360 304 HA GLU 40 HA GLU 40 -13.686 -12.391 -12.391 305 1HB GLU 40 HB2 GLU 40 -11.848 -12.421 -12.421 306 2HB GLU 40 HB1 GLU 40 -13.616 -12.577 -12.577 307 1HG GLU 40 HG2 GLU 40 -11.993 -10.085 -10.085 308 2HG GLU 40 HG1 GLU 40 -12.942 -10.337 -10.337 309 H ARG 41 H ARG 41 -14.063 -14.621 -14.621 310 HA ARG 41 HA ARG 41 -11.896 -16.279 -16.279 311 1HB ARG 41 HB2 ARG 41 -14.754 -16.449 -16.449 312 2HB ARG 41 HB1 ARG 41 -14.081 -17.855 -17.855 313 1HG ARG 41 HG2 ARG 41 -13.081 -18.698 -18.698 314 2HG ARG 41 HG1 ARG 41 -12.924 -17.095 -17.095 315 1HD ARG 41 HD2 ARG 41 -14.730 -17.716 -17.716 316 2HD ARG 41 HD1 ARG 41 -15.678 -17.394 -17.394 317 HE ARG 41 HE ARG 41 -14.981 -19.993 -19.993 318 1HH1 ARG 41 HH1 ARG 41 -15.957 -18.260 -18.260 319 2HH1 ARG 41 HH1 ARG 41 -16.655 -19.674 -19.674 320 1HH2 ARG 41 HH2 ARG 41 -15.900 -21.885 -21.885 321 2HH2 ARG 41 HH2 ARG 41 -16.622 -21.745 -21.745 322 H PHE 42 H PHE 42 -10.339 -17.198 -17.198 323 HA PHE 42 HA PHE 42 -11.024 -18.096 -18.096 324 1HB PHE 42 HB2 PHE 42 -9.405 -16.870 -16.870 325 2HB PHE 42 HB1 PHE 42 -9.860 -15.734 -15.734 326 HD1 PHE 42 HD2 PHE 42 -8.525 -16.303 -16.303 327 HD2 PHE 42 HD1 PHE 42 -7.080 -17.004 -17.004 328 HE1 PHE 42 HE2 PHE 42 -6.181 -16.218 -16.218 329 HE2 PHE 42 HE1 PHE 42 -4.741 -16.918 -16.918 330 HZ PHE 42 HZ PHE 42 -4.287 -16.524 -16.524 331 H LYS 43 H LYS 43 -8.875 -19.290 -19.290 332 HA LYS 43 HA LYS 43 -8.326 -21.271 -21.271 333 1HB LYS 43 HB2 LYS 43 -7.148 -21.985 -21.985 334 2HB LYS 43 HB1 LYS 43 -8.490 -22.751 -22.751 335 1HG LYS 43 HG2 LYS 43 -8.696 -20.360 -20.360 336 2HG LYS 43 HG1 LYS 43 -9.171 -22.026 -22.026 337 1HD LYS 43 HD2 LYS 43 -10.455 -21.295 -21.295 338 2HD LYS 43 HD1 LYS 43 -10.692 -19.956 -19.956 339 1HE LYS 43 HE2 LYS 43 -11.553 -21.580 -21.580 340 2HE LYS 43 HE1 LYS 43 -11.323 -22.898 -22.898 341 1HZ LYS 43 HZ1 LYS 43 -13.087 -20.554 -20.554 342 2HZ LYS 43 HZ3 LYS 43 -13.576 -22.103 -22.103 343 3HZ LYS 43 HZ2 LYS 43 -12.891 -21.792 -21.792 344 H TYR 44 H TYR 44 -5.840 -22.300 -22.300 345 HA TYR 44 HA TYR 44 -4.055 -19.923 -19.923 346 1HB TYR 44 HB1 TYR 44 -4.427 -20.462 -20.462 347 2HB TYR 44 HB2 TYR 44 -4.098 -22.161 -22.161 348 HD1 TYR 44 HD2 TYR 44 -1.896 -20.004 -20.004 349 HD2 TYR 44 HD1 TYR 44 -2.464 -21.836 -21.836 350 HE1 TYR 44 HE2 TYR 44 0.507 -19.667 -19.667 351 HE2 TYR 44 HE1 TYR 44 -0.062 -21.498 -21.498 352 HH TYR 44 HH TYR 44 2.249 -20.204 -20.204 353 H GLY 45 H GLY 45 -3.744 -23.520 -23.520 354 1HA GLY 45 HA1 GLY 45 -2.890 -25.014 -25.014 355 2HA GLY 45 HA2 GLY 45 -2.269 -23.641 -23.641 356 H GLY 46 H GLY 46 -0.855 -22.177 -22.177 357 1HA GLY 46 HA1 GLY 46 1.077 -22.142 -22.142 358 2HA GLY 46 HA2 GLY 46 0.887 -23.879 -23.879 359 H CYS 47 H CYS 47 1.953 -21.439 -21.439 360 HA CYS 47 HA CYS 47 4.251 -22.976 -22.976 361 1HB CYS 47 HB2 CYS 47 3.089 -22.865 -22.865 362 2HB CYS 47 HB1 CYS 47 3.542 -24.297 -24.297 363 HG CYS 47 HG CYS 47 0.568 -23.132 -23.132 364 H LEU 48 H LEU 48 5.347 -21.039 -21.039 365 HA LEU 48 HA LEU 48 6.333 -19.125 -19.125 366 1HB LEU 48 HB2 LEU 48 6.549 -19.509 -19.509 367 2HB LEU 48 HB1 LEU 48 4.824 -19.856 -19.856 368 HG LEU 48 HG LEU 48 4.440 -17.380 -17.380 369 1HD1 LEU 48 HD1 LEU 48 7.457 -17.265 -17.265 370 2HD1 LEU 48 HD1 LEU 48 6.351 -15.869 -15.869 371 3HD1 LEU 48 HD1 LEU 48 6.548 -16.720 -16.720 372 1HD2 LEU 48 HD2 LEU 48 4.311 -18.485 -18.485 373 2HD2 LEU 48 HD2 LEU 48 5.058 -16.874 -16.874 374 3HD2 LEU 48 HD2 LEU 48 6.066 -18.334 -18.334 375 H GLY 49 H GLY 49 2.777 -19.352 -19.352 376 1HA GLY 49 HA1 GLY 49 1.654 -16.980 -16.980 377 2HA GLY 49 HA2 GLY 49 1.334 -18.063 -18.063 378 H ASN 50 H ASN 50 1.924 -14.941 -14.941 379 HA ASN 50 HA ASN 50 4.173 -14.395 -14.395 380 1HB ASN 50 HB2 ASN 50 3.566 -12.065 -12.065 381 2HB ASN 50 HB1 ASN 50 3.385 -12.868 -12.868 382 1HD2 ASN 50 HD2 ASN 50 0.155 -11.638 -11.638 383 2HD2 ASN 50 HD2 ASN 50 1.762 -11.969 -11.969 384 H MET 51 H MET 51 3.286 -12.303 -12.303 385 HA MET 51 HA MET 51 2.402 -13.583 -13.583 386 1HB MET 51 HB2 MET 51 2.282 -10.732 -10.732 387 2HB MET 51 HB1 MET 51 1.495 -11.160 -11.160 388 1HG MET 51 HG2 MET 51 3.524 -11.635 -11.635 389 2HG MET 51 HG1 MET 51 4.325 -12.085 -12.085 390 1HE MET 51 HE1 MET 51 4.305 -9.996 -9.996 391 2HE MET 51 HE3 MET 51 5.536 -8.810 -8.810 392 3HE MET 51 HE2 MET 51 5.833 -10.549 -10.549 393 H ASN 52 H ASN 52 0.337 -11.361 -11.361 394 HA ASN 52 HA ASN 52 -2.108 -11.654 -11.654 395 1HB ASN 52 HB2 ASN 52 -1.738 -10.614 -10.614 396 2HB ASN 52 HB1 ASN 52 -1.422 -12.206 -12.206 397 1HD2 ASN 52 HD2 ASN 52 -5.185 -10.709 -10.709 398 2HD2 ASN 52 HD2 ASN 52 -3.696 -9.825 -9.825 399 H ASN 53 H ASN 53 -2.626 -13.450 -13.450 400 HA ASN 53 HA ASN 53 -3.961 -15.597 -15.597 401 1HB ASN 53 HB2 ASN 53 -2.153 -16.638 -16.638 402 2HB ASN 53 HB1 ASN 53 -0.979 -16.052 -16.052 403 1HD2 ASN 53 HD2 ASN 53 -3.150 -19.544 -19.544 404 2HD2 ASN 53 HD2 ASN 53 -3.548 -18.347 -18.347 405 H PHE 54 H PHE 54 -5.194 -15.233 -15.233 406 HA PHE 54 HA PHE 54 -3.860 -15.828 -15.828 407 1HB PHE 54 HB2 PHE 54 -6.515 -14.479 -14.479 408 2HB PHE 54 HB1 PHE 54 -5.726 -14.660 -14.660 409 HD1 PHE 54 HD2 PHE 54 -3.780 -13.295 -13.295 410 HD2 PHE 54 HD1 PHE 54 -5.705 -12.768 -12.768 411 HE1 PHE 54 HE2 PHE 54 -2.615 -11.120 -11.120 412 HE2 PHE 54 HE1 PHE 54 -4.535 -10.595 -10.595 413 HZ PHE 54 HZ PHE 54 -2.990 -9.767 -9.767 414 H GLU 55 H GLU 55 -5.308 -17.015 -17.015 415 HA GLU 55 HA GLU 55 -6.808 -19.112 -19.112 416 1HB GLU 55 HB2 GLU 55 -5.817 -19.658 -19.658 417 2HB GLU 55 HB1 GLU 55 -5.964 -20.747 -20.747 418 1HG GLU 55 HG2 GLU 55 -3.980 -19.757 -19.757 419 2HG GLU 55 HG1 GLU 55 -3.894 -18.521 -18.521 420 H THR 56 H THR 56 -7.544 -16.364 -16.364 421 HA THR 56 HA THR 56 -10.096 -17.242 -17.242 422 HB THR 56 HB THR 56 -9.182 -15.744 -15.744 423 HG1 THR 56 HG1 THR 56 -7.248 -16.753 -16.753 424 1HG2 THR 56 HG2 THR 56 -9.759 -18.648 -18.648 425 2HG2 THR 56 HG2 THR 56 -8.887 -18.306 -18.306 426 3HG2 THR 56 HG2 THR 56 -10.509 -17.628 -17.628 427 H LEU 57 H LEU 57 -11.611 -15.511 -15.511 428 HA LEU 57 HA LEU 57 -10.931 -13.331 -13.331 429 1HB LEU 57 HB2 LEU 57 -13.135 -14.452 -14.452 430 2HB LEU 57 HB1 LEU 57 -13.342 -13.603 -13.603 431 HG LEU 57 HG LEU 57 -12.960 -11.474 -11.474 432 1HD1 LEU 57 HD1 LEU 57 -13.661 -13.368 -13.368 433 2HD1 LEU 57 HD1 LEU 57 -13.653 -11.587 -11.587 434 3HD1 LEU 57 HD1 LEU 57 -12.146 -12.469 -12.469 435 1HD2 LEU 57 HD2 LEU 57 -15.134 -12.039 -12.039 436 2HD2 LEU 57 HD2 LEU 57 -15.370 -11.328 -11.328 437 3HD2 LEU 57 HD2 LEU 57 -15.524 -13.080 -13.080 438 H GLU 58 H GLU 58 -11.289 -13.728 -13.728 439 HA GLU 58 HA GLU 58 -11.027 -10.947 -10.947 440 1HB GLU 58 HB2 GLU 58 -11.705 -13.145 -13.145 441 2HB GLU 58 HB1 GLU 58 -10.039 -12.893 -12.893 442 1HG GLU 58 HG2 GLU 58 -10.598 -10.529 -10.529 443 2HG GLU 58 HG1 GLU 58 -12.260 -10.800 -10.800 444 H GLU 59 H GLU 59 -8.735 -13.618 -13.618 445 HA GLU 59 HA GLU 59 -6.447 -12.219 -12.219 446 1HB GLU 59 HB2 GLU 59 -6.828 -14.780 -14.780 447 2HB GLU 59 HB1 GLU 59 -6.199 -14.289 -14.289 448 1HG GLU 59 HG2 GLU 59 -4.846 -14.271 -14.271 449 2HG GLU 59 HG1 GLU 59 -4.252 -14.914 -14.914 450 H CYS 60 H CYS 60 -7.777 -12.764 -12.764 451 HA CYS 60 HA CYS 60 -5.797 -11.245 -11.245 452 1HB CYS 60 HB2 CYS 60 -7.182 -12.755 -12.755 453 2HB CYS 60 HB1 CYS 60 -8.652 -11.894 -11.894 454 HG CYS 60 HG CYS 60 -8.657 -10.871 -10.871 455 H LYS 61 H LYS 61 -8.730 -10.347 -10.347 456 HA LYS 61 HA LYS 61 -8.705 -7.629 -7.629 457 1HB LYS 61 HB2 LYS 61 -10.337 -9.139 -9.139 458 2HB LYS 61 HB1 LYS 61 -10.418 -7.368 -7.368 459 1HG LYS 61 HG2 LYS 61 -10.855 -7.635 -7.635 460 2HG LYS 61 HG1 LYS 61 -11.068 -9.368 -9.368 461 1HD LYS 61 HD2 LYS 61 -12.908 -8.874 -8.874 462 2HD LYS 61 HD1 LYS 61 -12.641 -7.131 -7.131 463 1HE LYS 61 HE2 LYS 61 -13.802 -7.086 -7.086 464 2HE LYS 61 HE1 LYS 61 -13.015 -8.562 -8.562 465 1HZ LYS 61 HZ1 LYS 61 -15.237 -8.449 -8.449 466 2HZ LYS 61 HZ3 LYS 61 -15.362 -8.863 -8.863 467 3HZ LYS 61 HZ2 LYS 61 -14.518 -9.835 -9.835 468 H ASN 62 H ASN 62 -7.647 -9.383 -9.383 469 HA ASN 62 HA ASN 62 -6.920 -7.128 -7.128 470 1HB ASN 62 HB2 ASN 62 -6.917 -9.748 -9.748 471 2HB ASN 62 HB1 ASN 62 -5.227 -9.631 -9.631 472 1HD2 ASN 62 HD2 ASN 62 -4.019 -8.136 -8.136 473 2HD2 ASN 62 HD2 ASN 62 -3.724 -8.797 -8.797 474 H ILE 63 H ILE 63 -5.109 -9.020 -9.020 475 HA ILE 63 HA ILE 63 -2.750 -7.381 -7.381 476 HB ILE 63 HB ILE 63 -3.488 -9.380 -9.380 477 1HG1 ILE 63 HG1 ILE 63 -3.377 -10.689 -10.689 478 2HG1 ILE 63 HG1 ILE 63 -1.664 -10.702 -10.702 479 1HG2 ILE 63 HG2 ILE 63 -0.788 -8.123 -8.123 480 2HG2 ILE 63 HG2 ILE 63 -1.046 -9.495 -9.495 481 3HG2 ILE 63 HG2 ILE 63 -1.744 -7.904 -7.904 482 1HD1 ILE 63 HD1 ILE 63 -2.952 -8.816 -8.816 483 2HD1 ILE 63 HD1 ILE 63 -1.941 -10.238 -10.238 484 3HD1 ILE 63 HD1 ILE 63 -1.234 -8.833 -8.833 485 H CYS 64 H CYS 64 -5.404 -7.689 -7.689 486 HA CYS 64 HA CYS 64 -4.351 -5.374 -5.374 487 1HB CYS 64 HB2 CYS 64 -6.881 -6.955 -6.955 488 2HB CYS 64 HB1 CYS 64 -6.157 -5.760 -5.760 489 HG CYS 64 HG CYS 64 -5.714 -8.974 -8.974 490 H GLU 65 H GLU 65 -7.825 -5.964 -5.964 491 HA GLU 65 HA GLU 65 -8.698 -3.454 -3.454 492 1HB GLU 65 HB2 GLU 65 -9.471 -5.977 -5.977 493 2HB GLU 65 HB1 GLU 65 -10.080 -4.487 -4.487 494 1HG GLU 65 HG2 GLU 65 -10.514 -4.059 -4.059 495 2HG GLU 65 HG1 GLU 65 -10.838 -5.794 -5.794 496 H ASP 66 H ASP 66 -6.674 -5.146 -5.146 497 HA ASP 66 HA ASP 66 -5.590 -4.399 -4.399 498 1HB ASP 66 HB2 ASP 66 -4.576 -2.316 -2.316 499 2HB ASP 66 HB1 ASP 66 -4.868 -2.684 -2.684 500 H GLY 67 H GLY 67 -8.677 -4.359 -4.359 501 1HA GLY 67 HA1 GLY 67 -10.444 -3.864 -3.864 502 2HA GLY 67 HA2 GLY 67 -9.250 -3.515 -3.515 503 HA PRO 68 HA PRO 68 -11.175 0.407 0.407 504 1HB PRO 68 HB2 PRO 68 -13.434 0.695 0.695 505 2HB PRO 68 HB1 PRO 68 -13.486 0.015 0.015 506 1HG PRO 68 HG2 PRO 68 -13.702 -1.328 -1.328 507 2HG PRO 68 HG1 PRO 68 -14.160 -1.900 -1.900 508 1HD PRO 68 HD2 PRO 68 -11.861 -2.662 -2.662 509 2HD PRO 68 HD1 PRO 68 -12.280 -3.142 -3.142 510 H ASN 69 H ASN 69 -12.236 0.073 0.073 511 HA ASN 69 HA ASN 69 -10.643 2.443 2.443 512 1HB ASN 69 HB2 ASN 69 -12.035 0.644 0.644 513 2HB ASN 69 HB1 ASN 69 -11.776 2.398 2.398 514 1HD2 ASN 69 HD2 ASN 69 -14.793 3.260 3.260 515 2HD2 ASN 69 HD2 ASN 69 -13.319 3.722 3.722 516 H GLY 70 H GLY 70 -8.462 2.102 2.102 517 1HA GLY 70 HA1 GLY 70 -6.819 1.357 1.357 518 2HA GLY 70 HA2 GLY 70 -7.549 -0.256 -0.256 519 H PHE 71 H PHE 71 -4.755 0.310 0.310 520 HA PHE 71 HA PHE 71 -3.147 -0.434 -0.434 521 1HB PHE 71 HB2 PHE 71 -5.282 -1.861 -1.861 522 2HB PHE 71 HB1 PHE 71 -5.191 -0.801 -0.801 523 HD1 PHE 71 HD1 PHE 71 -1.962 -0.594 -0.594 524 HD2 PHE 71 HD2 PHE 71 -4.819 -3.804 -3.804 525 HE1 PHE 71 HE1 PHE 71 -0.197 -2.017 -2.017 526 HE2 PHE 71 HE2 PHE 71 -3.046 -5.220 -5.220 527 HZ PHE 71 HZ PHE 71 -0.734 -4.331 -4.331 Start of MODEL 23 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.952 0.690 0.690 3 1HB ASP 1 HB2 ASP 1 3.163 -1.763 -1.763 4 2HB ASP 1 HB1 ASP 1 1.739 -2.029 -2.029 5 H TYR 2 H TYR 2 -0.106 -1.065 -1.065 6 HA TYR 2 HA TYR 2 -0.281 -0.101 -0.101 7 1HB TYR 2 HB1 TYR 2 -2.580 -0.644 -0.644 8 2HB TYR 2 HB2 TYR 2 -1.866 -1.689 -1.689 9 HD1 TYR 2 HD2 TYR 2 -1.722 -0.524 -0.524 10 HD2 TYR 2 HD1 TYR 2 -4.614 0.398 0.398 11 HE1 TYR 2 HE2 TYR 2 -3.289 0.327 0.327 12 HE2 TYR 2 HE1 TYR 2 -6.179 1.247 1.247 13 HH TYR 2 HH TYR 2 -5.349 1.264 1.264 14 H LYS 3 H LYS 3 -0.737 1.814 1.814 15 HA LYS 3 HA LYS 3 -1.081 4.018 4.018 16 1HB LYS 3 HB2 LYS 3 -2.484 4.103 4.103 17 2HB LYS 3 HB1 LYS 3 -2.724 5.161 5.161 18 1HG LYS 3 HG2 LYS 3 -3.222 2.160 2.160 19 2HG LYS 3 HG1 LYS 3 -4.482 3.324 3.324 20 1HD LYS 3 HD2 LYS 3 -2.973 3.167 3.167 21 2HD LYS 3 HD1 LYS 3 -4.689 2.801 2.801 22 1HE LYS 3 HE2 LYS 3 -3.280 5.494 5.494 23 2HE LYS 3 HE1 LYS 3 -4.636 5.003 5.003 24 1HZ LYS 3 HZ1 LYS 3 -4.721 5.306 5.306 25 2HZ LYS 3 HZ3 LYS 3 -5.343 6.380 6.380 26 3HZ LYS 3 HZ2 LYS 3 -6.000 4.862 4.862 27 H ASP 4 H ASP 4 0.936 4.917 4.917 28 HA ASP 4 HA ASP 4 2.526 5.103 5.103 29 1HB ASP 4 HB2 ASP 4 2.744 6.006 6.006 30 2HB ASP 4 HB1 ASP 4 3.767 6.794 6.794 31 H ASP 5 H ASP 5 1.892 7.837 7.837 32 HA ASP 5 HA ASP 5 0.178 9.421 9.421 33 1HB ASP 5 HB2 ASP 5 2.070 10.963 10.963 34 2HB ASP 5 HB1 ASP 5 1.331 9.645 9.645 35 H ASP 6 H ASP 6 3.496 9.486 9.486 36 HA ASP 6 HA ASP 6 4.148 10.501 10.501 37 1HB ASP 6 HB2 ASP 6 1.446 10.571 10.571 38 2HB ASP 6 HB1 ASP 6 1.793 12.304 12.304 39 H ASP 7 H ASP 7 3.634 13.255 13.255 40 HA ASP 7 HA ASP 7 5.499 14.641 14.641 41 1HB ASP 7 HB2 ASP 7 4.660 16.623 16.623 42 2HB ASP 7 HB1 ASP 7 4.269 15.356 15.356 43 H LYS 8 H LYS 8 5.097 16.631 16.631 44 HA LYS 8 HA LYS 8 2.741 16.731 16.731 45 1HB LYS 8 HB2 LYS 8 3.597 15.866 15.866 46 2HB LYS 8 HB1 LYS 8 3.477 14.606 14.606 47 1HG LYS 8 HG2 LYS 8 6.036 16.125 16.125 48 2HG LYS 8 HG1 LYS 8 5.610 14.555 14.555 49 1HD LYS 8 HD2 LYS 8 5.298 13.884 13.884 50 2HD LYS 8 HD1 LYS 8 6.399 15.252 15.252 51 1HE LYS 8 HE2 LYS 8 7.774 13.285 13.285 52 2HE LYS 8 HE1 LYS 8 7.946 14.164 14.164 53 1HZ LYS 8 HZ1 LYS 8 6.137 11.878 11.878 54 2HZ LYS 8 HZ3 LYS 8 7.586 11.826 11.826 55 3HZ LYS 8 HZ2 LYS 8 6.304 12.684 12.684 56 H LEU 9 H LEU 9 6.310 17.221 17.221 57 HA LEU 9 HA LEU 9 5.859 19.872 19.872 58 1HB LEU 9 HB2 LEU 9 7.442 18.140 18.140 59 2HB LEU 9 HB1 LEU 9 8.513 18.540 18.540 60 HG LEU 9 HG LEU 9 7.505 20.842 20.842 61 1HD1 LEU 9 HD1 LEU 9 9.344 18.872 18.872 62 2HD1 LEU 9 HD1 LEU 9 9.010 20.540 20.540 63 3HD1 LEU 9 HD1 LEU 9 7.703 19.341 19.341 64 1HD2 LEU 9 HD2 LEU 9 9.253 21.065 21.065 65 2HD2 LEU 9 HD2 LEU 9 9.899 21.542 21.542 66 3HD2 LEU 9 HD2 LEU 9 10.313 19.963 19.963 67 H LYS 10 H LYS 10 7.300 21.685 21.685 68 HA LYS 10 HA LYS 10 7.877 23.007 23.007 69 1HB LYS 10 HB2 LYS 10 9.511 21.020 21.020 70 2HB LYS 10 HB1 LYS 10 8.528 20.615 20.615 71 1HG LYS 10 HG2 LYS 10 9.076 22.641 22.641 72 2HG LYS 10 HG1 LYS 10 9.579 23.425 23.425 73 1HD LYS 10 HD2 LYS 10 11.675 22.462 22.462 74 2HD LYS 10 HD1 LYS 10 11.086 20.974 20.974 75 1HE LYS 10 HE2 LYS 10 11.162 21.919 21.919 76 2HE LYS 10 HE1 LYS 10 11.093 23.580 23.580 77 1HZ LYS 10 HZ1 LYS 10 13.371 21.719 21.719 78 2HZ LYS 10 HZ3 LYS 10 13.275 23.000 23.000 79 3HZ LYS 10 HZ2 LYS 10 13.322 23.278 23.278 80 HA PRO 11 HA PRO 11 4.034 23.344 23.344 81 1HB PRO 11 HB2 PRO 11 4.825 25.390 25.390 82 2HB PRO 11 HB1 PRO 11 4.283 25.673 25.673 83 1HG PRO 11 HG2 PRO 11 6.986 25.803 25.803 84 2HG PRO 11 HG1 PRO 11 6.364 26.473 26.473 85 1HD PRO 11 HD2 PRO 11 8.001 24.148 24.148 86 2HD PRO 11 HD1 PRO 11 7.283 24.772 24.772 87 H ASP 12 H ASP 12 3.168 22.067 22.067 88 HA ASP 12 HA ASP 12 4.820 20.602 20.602 89 1HB ASP 12 HB2 ASP 12 2.722 19.684 19.684 90 2HB ASP 12 HB1 ASP 12 1.841 21.122 21.122 91 H PHE 13 H PHE 13 3.062 23.679 23.679 92 HA PHE 13 HA PHE 13 2.850 24.003 24.003 93 1HB PHE 13 HB2 PHE 13 2.515 26.258 26.258 94 2HB PHE 13 HB1 PHE 13 1.934 25.444 25.444 95 HD1 PHE 13 HD1 PHE 13 5.240 26.837 26.837 96 HD2 PHE 13 HD2 PHE 13 2.464 26.399 26.399 97 HE1 PHE 13 HE1 PHE 13 6.721 28.215 28.215 98 HE2 PHE 13 HE2 PHE 13 3.953 27.780 27.780 99 HZ PHE 13 HZ PHE 13 6.081 28.690 28.690 100 H CYS 14 H CYS 14 5.642 24.137 24.137 101 HA CYS 14 HA CYS 14 7.359 25.573 25.573 102 1HB CYS 14 HB2 CYS 14 7.727 23.817 23.817 103 2HB CYS 14 HB1 CYS 14 9.142 24.236 24.236 104 HG CYS 14 HG CYS 14 8.288 27.130 27.130 105 H PHE 15 H PHE 15 6.522 22.117 22.117 106 HA PHE 15 HA PHE 15 8.481 21.302 21.302 107 1HB PHE 15 HB2 PHE 15 6.444 19.599 19.599 108 2HB PHE 15 HB1 PHE 15 7.892 19.086 19.086 109 HD1 PHE 15 HD1 PHE 15 10.021 20.852 20.852 110 HD2 PHE 15 HD2 PHE 15 6.723 18.975 18.975 111 HE1 PHE 15 HE1 PHE 15 11.320 20.897 20.897 112 HE2 PHE 15 HE2 PHE 15 8.030 19.025 19.025 113 HZ PHE 15 HZ PHE 15 10.328 19.986 19.986 114 H LEU 16 H LEU 16 5.955 23.120 23.120 115 HA LEU 16 HA LEU 16 4.457 21.358 21.358 116 1HB LEU 16 HB2 LEU 16 3.740 23.395 23.395 117 2HB LEU 16 HB1 LEU 16 3.500 24.065 24.065 118 HG LEU 16 HG LEU 16 2.141 22.069 22.069 119 1HD1 LEU 16 HD1 LEU 16 2.365 21.476 21.476 120 2HD1 LEU 16 HD1 LEU 16 1.235 20.673 20.673 121 3HD1 LEU 16 HD1 LEU 16 2.988 20.485 20.485 122 1HD2 LEU 16 HD2 LEU 16 1.035 24.170 24.170 123 2HD2 LEU 16 HD2 LEU 16 0.106 22.786 22.786 124 3HD2 LEU 16 HD2 LEU 16 1.131 23.748 23.748 125 H GLU 17 H GLU 17 4.370 21.673 21.673 126 HA GLU 17 HA GLU 17 6.638 22.726 22.726 127 1HB GLU 17 HB2 GLU 17 3.970 21.791 21.791 128 2HB GLU 17 HB1 GLU 17 4.779 22.909 22.909 129 1HG GLU 17 HG2 GLU 17 6.807 21.146 21.146 130 2HG GLU 17 HG1 GLU 17 5.380 20.103 20.103 131 H GLU 18 H GLU 18 6.954 24.634 24.634 132 HA GLU 18 HA GLU 18 5.930 26.992 26.992 133 1HB GLU 18 HB2 GLU 18 7.485 28.178 28.178 134 2HB GLU 18 HB1 GLU 18 8.228 26.566 26.566 135 1HG GLU 18 HG2 GLU 18 6.591 26.404 26.404 136 2HG GLU 18 HG1 GLU 18 7.030 28.123 28.123 137 H ASP 19 H ASP 19 4.641 28.700 28.700 138 HA ASP 19 HA ASP 19 3.211 28.062 28.062 139 1HB ASP 19 HB2 ASP 19 2.039 27.074 27.074 140 2HB ASP 19 HB1 ASP 19 1.584 28.769 28.769 141 HA PRO 20 HA PRO 20 3.756 32.480 32.480 142 1HB PRO 20 HB2 PRO 20 3.703 32.847 32.847 143 2HB PRO 20 HB1 PRO 20 5.167 32.466 32.466 144 1HG PRO 20 HG2 PRO 20 3.567 30.760 30.760 145 2HG PRO 20 HG1 PRO 20 5.226 30.546 30.546 146 1HD PRO 20 HD2 PRO 20 2.873 29.181 29.181 147 2HD PRO 20 HD1 PRO 20 4.518 29.057 29.057 148 H GLY 21 H GLY 21 1.231 31.320 31.320 149 1HA GLY 21 HA1 GLY 21 -1.064 31.653 31.653 150 2HA GLY 21 HA2 GLY 21 -0.551 33.340 33.340 151 H ILE 22 H ILE 22 -2.137 34.179 34.179 152 HA ILE 22 HA ILE 22 -1.791 33.302 33.302 153 HB ILE 22 HB ILE 22 -4.036 34.915 34.915 154 1HG1 ILE 22 HG1 ILE 22 -3.960 32.920 32.920 155 2HG1 ILE 22 HG1 ILE 22 -4.044 34.688 34.688 156 1HG2 ILE 22 HG2 ILE 22 -3.777 31.884 31.884 157 2HG2 ILE 22 HG2 ILE 22 -5.252 32.808 32.808 158 3HG2 ILE 22 HG2 ILE 22 -3.782 33.017 33.017 159 1HD1 ILE 22 HD1 ILE 22 -6.161 32.890 32.890 160 2HD1 ILE 22 HD1 ILE 22 -6.269 33.652 33.652 161 3HD1 ILE 22 HD1 ILE 22 -6.262 34.656 34.656 162 H CYS 23 H CYS 23 -2.925 36.347 36.347 163 HA CYS 23 HA CYS 23 -2.216 38.159 38.159 164 1HB CYS 23 HB2 CYS 23 -1.973 39.803 39.803 165 2HB CYS 23 HB1 CYS 23 -3.232 38.653 38.653 166 HG CYS 23 HG CYS 23 -0.004 38.334 38.334 167 H ARG 24 H ARG 24 -0.451 37.776 37.776 168 HA ARG 24 HA ARG 24 2.043 36.835 36.835 169 1HB ARG 24 HB2 ARG 24 2.930 38.225 38.225 170 2HB ARG 24 HB1 ARG 24 1.556 37.171 37.171 171 1HG ARG 24 HG2 ARG 24 0.739 39.100 39.100 172 2HG ARG 24 HG1 ARG 24 0.218 39.420 39.420 173 1HD ARG 24 HD2 ARG 24 2.954 40.274 40.274 174 2HD ARG 24 HD1 ARG 24 2.044 40.929 40.929 175 HE ARG 24 HE ARG 24 1.790 41.630 41.630 176 1HH1 ARG 24 HH1 ARG 24 0.165 41.539 41.539 177 2HH1 ARG 24 HH1 ARG 24 -0.989 42.821 42.821 178 1HH2 ARG 24 HH2 ARG 24 0.270 43.334 43.334 179 2HH2 ARG 24 HH2 ARG 24 -0.929 43.847 43.847 180 H GLY 25 H GLY 25 4.174 38.285 38.285 181 1HA GLY 25 HA1 GLY 25 4.417 40.898 40.898 182 2HA GLY 25 HA2 GLY 25 4.085 40.058 40.058 183 H TYR 26 H TYR 26 5.373 37.505 37.505 184 HA TYR 26 HA TYR 26 7.482 36.609 36.609 185 1HB TYR 26 HB1 TYR 26 8.089 38.803 38.803 186 2HB TYR 26 HB2 TYR 26 9.222 37.534 37.534 187 HD1 TYR 26 HD2 TYR 26 6.125 35.950 35.950 188 HD2 TYR 26 HD1 TYR 26 8.861 37.522 37.522 189 HE1 TYR 26 HE2 TYR 26 5.149 34.439 34.439 190 HE2 TYR 26 HE1 TYR 26 7.884 36.011 36.011 191 HH TYR 26 HH TYR 26 5.168 34.670 34.670 192 H ILE 27 H ILE 27 7.654 37.166 37.166 193 HA ILE 27 HA ILE 27 9.431 39.502 39.502 194 HB ILE 27 HB ILE 27 7.719 38.401 38.401 195 1HG1 ILE 27 HG1 ILE 27 6.174 40.479 40.479 196 2HG1 ILE 27 HG1 ILE 27 6.761 39.755 39.755 197 1HG2 ILE 27 HG2 ILE 27 8.760 41.191 41.191 198 2HG2 ILE 27 HG2 ILE 27 7.741 40.770 40.770 199 3HG2 ILE 27 HG2 ILE 27 9.370 40.084 40.084 200 1HD1 ILE 27 HD1 ILE 27 5.361 38.260 38.260 201 2HD1 ILE 27 HD1 ILE 27 4.624 38.733 38.733 202 3HD1 ILE 27 HD1 ILE 27 5.929 37.531 37.531 203 H THR 28 H THR 28 11.477 38.875 38.875 204 HA THR 28 HA THR 28 12.416 36.330 36.330 205 HB THR 28 HB THR 28 13.616 38.790 38.790 206 HG1 THR 28 HG1 THR 28 13.705 37.882 37.882 207 1HG2 THR 28 HG2 THR 28 14.556 36.108 36.108 208 2HG2 THR 28 HG2 THR 28 15.599 37.516 37.516 209 3HG2 THR 28 HG2 THR 28 15.201 37.042 37.042 210 H ARG 29 H ARG 29 11.054 34.994 34.994 211 HA ARG 29 HA ARG 29 11.135 35.605 35.605 212 1HB ARG 29 HB2 ARG 29 8.978 34.197 34.197 213 2HB ARG 29 HB1 ARG 29 9.035 34.197 34.197 214 1HG ARG 29 HG2 ARG 29 9.250 36.865 36.865 215 2HG ARG 29 HG1 ARG 29 7.687 36.045 36.045 216 1HD ARG 29 HD2 ARG 29 7.810 35.671 35.671 217 2HD ARG 29 HD1 ARG 29 9.106 36.883 36.883 218 HE ARG 29 HE ARG 29 7.115 38.113 38.113 219 1HH1 ARG 29 HH1 ARG 29 7.200 36.479 36.479 220 2HH1 ARG 29 HH1 ARG 29 5.912 37.453 37.453 221 1HH2 ARG 29 HH2 ARG 29 5.405 39.418 39.418 222 2HH2 ARG 29 HH2 ARG 29 4.887 39.131 39.131 223 H TYR 30 H TYR 30 11.220 33.658 33.658 224 HA TYR 30 HA TYR 30 12.569 31.436 31.436 225 1HB TYR 30 HB1 TYR 30 13.042 32.342 32.342 226 2HB TYR 30 HB2 TYR 30 13.892 31.049 31.049 227 HD1 TYR 30 HD1 TYR 30 13.232 34.757 34.757 228 HD2 TYR 30 HD2 TYR 30 15.948 31.455 31.455 229 HE1 TYR 30 HE1 TYR 30 14.961 36.337 36.337 230 HE2 TYR 30 HE2 TYR 30 17.676 33.038 33.038 231 HH TYR 30 HH TYR 30 17.048 36.529 36.529 232 H PHE 31 H PHE 31 12.181 29.251 29.251 233 HA PHE 31 HA PHE 31 9.925 28.855 28.855 234 1HB PHE 31 HB2 PHE 31 8.468 27.899 27.899 235 2HB PHE 31 HB1 PHE 31 9.097 29.242 29.242 236 HD1 PHE 31 HD2 PHE 31 11.074 28.791 28.791 237 HD2 PHE 31 HD1 PHE 31 8.608 25.669 25.669 238 HE1 PHE 31 HE2 PHE 31 11.767 27.247 27.247 239 HE2 PHE 31 HE1 PHE 31 9.307 24.133 24.133 240 HZ PHE 31 HZ PHE 31 10.885 24.917 24.917 241 H TYR 32 H TYR 32 10.227 26.993 26.993 242 HA TYR 32 HA TYR 32 12.696 25.551 25.551 243 1HB TYR 32 HB1 TYR 32 11.419 26.013 26.013 244 2HB TYR 32 HB2 TYR 32 10.434 24.629 24.629 245 HD1 TYR 32 HD1 TYR 32 13.849 25.683 25.683 246 HD2 TYR 32 HD2 TYR 32 11.287 22.344 22.344 247 HE1 TYR 32 HE1 TYR 32 15.517 24.118 24.118 248 HE2 TYR 32 HE2 TYR 32 12.956 20.779 20.779 249 HH TYR 32 HH TYR 32 15.786 21.853 21.853 250 H ASN 33 H ASN 33 12.916 24.258 24.258 251 HA ASN 33 HA ASN 33 10.552 22.729 22.729 252 1HB ASN 33 HB2 ASN 33 12.226 24.052 24.052 253 2HB ASN 33 HB1 ASN 33 13.330 22.695 22.695 254 1HD2 ASN 33 HD2 ASN 33 11.570 21.948 21.948 255 2HD2 ASN 33 HD2 ASN 33 12.731 23.118 23.118 256 H ASN 34 H ASN 34 10.240 20.658 20.658 257 HA ASN 34 HA ASN 34 12.075 19.283 19.283 258 1HB ASN 34 HB2 ASN 34 9.750 18.639 18.639 259 2HB ASN 34 HB1 ASN 34 9.715 18.371 18.371 260 1HD2 ASN 34 HD2 ASN 34 10.526 15.370 15.370 261 2HD2 ASN 34 HD2 ASN 34 9.802 16.930 16.930 262 H GLN 35 H GLN 35 11.673 19.469 19.469 263 HA GLN 35 HA GLN 35 12.935 17.153 17.153 264 1HB GLN 35 HB2 GLN 35 12.047 19.411 19.411 265 2HB GLN 35 HB1 GLN 35 13.802 19.593 19.593 266 1HG GLN 35 HG2 GLN 35 13.989 17.592 17.592 267 2HG GLN 35 HG1 GLN 35 12.462 16.947 16.947 268 1HE2 GLN 35 HE2 GLN 35 11.040 17.750 17.750 269 2HE2 GLN 35 HE2 GLN 35 11.557 16.510 16.510 270 H THR 36 H THR 36 14.332 20.065 20.065 271 HA THR 36 HA THR 36 16.968 18.662 18.662 272 HB THR 36 HB THR 36 18.078 20.870 20.870 273 HG1 THR 36 HG1 THR 36 15.369 21.747 21.747 274 1HG2 THR 36 HG2 THR 36 15.880 19.940 19.940 275 2HG2 THR 36 HG2 THR 36 16.576 21.547 21.547 276 3HG2 THR 36 HG2 THR 36 17.623 20.115 20.115 277 H LYS 37 H LYS 37 14.468 19.088 19.088 278 HA LYS 37 HA LYS 37 14.042 19.836 19.836 279 1HB LYS 37 HB2 LYS 37 16.449 18.050 18.050 280 2HB LYS 37 HB1 LYS 37 15.815 18.746 18.746 281 1HG LYS 37 HG2 LYS 37 14.150 17.222 17.222 282 2HG LYS 37 HG1 LYS 37 13.614 17.754 17.754 283 1HD LYS 37 HD2 LYS 37 15.666 15.616 15.616 284 2HD LYS 37 HD1 LYS 37 14.127 15.407 15.407 285 1HE LYS 37 HE2 LYS 37 15.310 17.220 17.220 286 2HE LYS 37 HE1 LYS 37 16.763 16.441 16.441 287 1HZ LYS 37 HZ1 LYS 37 14.487 15.060 15.060 288 2HZ LYS 37 HZ3 LYS 37 15.976 15.361 15.361 289 3HZ LYS 37 HZ2 LYS 37 15.851 14.323 14.323 290 H GLN 38 H GLN 38 14.919 22.042 22.042 291 HA GLN 38 HA GLN 38 16.224 23.478 23.478 292 1HB GLN 38 HB2 GLN 38 17.729 22.798 22.798 293 2HB GLN 38 HB1 GLN 38 17.930 24.425 24.425 294 1HG GLN 38 HG2 GLN 38 19.359 23.587 23.587 295 2HG GLN 38 HG1 GLN 38 18.062 22.555 22.555 296 1HE2 GLN 38 HE2 GLN 38 19.301 19.559 19.559 297 2HE2 GLN 38 HE2 GLN 38 18.096 20.428 20.428 298 H CYS 39 H CYS 39 16.752 25.890 25.890 299 HA CYS 39 HA CYS 39 14.124 26.641 26.641 300 1HB CYS 39 HB2 CYS 39 16.432 28.192 28.192 301 2HB CYS 39 HB1 CYS 39 15.064 28.986 28.986 302 HG CYS 39 HG CYS 39 13.393 27.257 27.257 303 H GLU 40 H GLU 40 13.757 27.038 27.038 304 HA GLU 40 HA GLU 40 16.157 27.543 27.543 305 1HB GLU 40 HB2 GLU 40 13.601 26.305 26.305 306 2HB GLU 40 HB1 GLU 40 15.217 26.298 26.298 307 1HG GLU 40 HG2 GLU 40 15.822 25.033 25.033 308 2HG GLU 40 HG1 GLU 40 14.096 24.624 24.624 309 H ARG 41 H ARG 41 16.131 29.317 29.317 310 HA ARG 41 HA ARG 41 14.156 31.332 31.332 311 1HB ARG 41 HB2 ARG 41 16.696 31.137 31.137 312 2HB ARG 41 HB1 ARG 41 15.519 31.939 31.939 313 1HG ARG 41 HG2 ARG 41 15.353 33.776 33.776 314 2HG ARG 41 HG1 ARG 41 15.525 32.812 32.812 315 1HD ARG 41 HD2 ARG 41 17.730 33.728 33.728 316 2HD ARG 41 HD1 ARG 41 17.497 34.213 34.213 317 HE ARG 41 HE ARG 41 17.712 31.453 31.453 318 1HH1 ARG 41 HH1 ARG 41 19.686 34.067 34.067 319 2HH1 ARG 41 HH1 ARG 41 21.226 33.230 33.230 320 1HH2 ARG 41 HH2 ARG 41 19.743 30.323 30.323 321 2HH2 ARG 41 HH2 ARG 41 21.259 31.093 31.093 322 H PHE 42 H PHE 42 12.452 32.109 32.109 323 HA PHE 42 HA PHE 42 11.894 30.964 30.964 324 1HB PHE 42 HB2 PHE 42 10.200 29.534 29.534 325 2HB PHE 42 HB1 PHE 42 11.202 29.258 29.258 326 HD1 PHE 42 HD2 PHE 42 10.696 30.724 30.724 327 HD2 PHE 42 HD1 PHE 42 7.903 30.103 30.103 328 HE1 PHE 42 HE2 PHE 42 8.809 31.320 31.320 329 HE2 PHE 42 HE1 PHE 42 6.023 30.700 30.700 330 HZ PHE 42 HZ PHE 42 6.472 31.309 31.309 331 H LYS 43 H LYS 43 9.994 31.983 31.983 332 HA LYS 43 HA LYS 43 9.758 34.715 34.715 333 1HB LYS 43 HB2 LYS 43 9.105 33.141 33.141 334 2HB LYS 43 HB1 LYS 43 7.785 34.252 34.252 335 1HG LYS 43 HG2 LYS 43 9.158 35.587 35.587 336 2HG LYS 43 HG1 LYS 43 9.714 36.016 36.016 337 1HD LYS 43 HD2 LYS 43 11.709 35.639 35.639 338 2HD LYS 43 HD1 LYS 43 11.469 34.136 34.136 339 1HE LYS 43 HE2 LYS 43 10.457 33.084 33.084 340 2HE LYS 43 HE1 LYS 43 10.629 34.603 34.603 341 1HZ LYS 43 HZ1 LYS 43 12.840 33.005 33.005 342 2HZ LYS 43 HZ3 LYS 43 12.400 33.070 33.070 343 3HZ LYS 43 HZ2 LYS 43 13.011 34.418 34.418 344 H TYR 44 H TYR 44 7.096 35.453 35.453 345 HA TYR 44 HA TYR 44 5.389 33.678 33.678 346 1HB TYR 44 HB1 TYR 44 6.710 34.433 34.433 347 2HB TYR 44 HB2 TYR 44 6.657 36.101 36.101 348 HD1 TYR 44 HD2 TYR 44 3.547 34.151 34.151 349 HD2 TYR 44 HD1 TYR 44 5.873 36.806 36.806 350 HE1 TYR 44 HE2 TYR 44 1.547 34.587 34.587 351 HE2 TYR 44 HE1 TYR 44 3.872 37.240 37.240 352 HH TYR 44 HH TYR 44 0.802 35.491 35.491 353 H GLY 45 H GLY 45 5.017 34.678 34.678 354 1HA GLY 45 HA1 GLY 45 3.698 37.222 37.222 355 2HA GLY 45 HA2 GLY 45 3.563 35.910 35.910 356 H GLY 46 H GLY 46 2.603 36.545 36.545 357 1HA GLY 46 HA1 GLY 46 -0.223 36.222 36.222 358 2HA GLY 46 HA2 GLY 46 0.458 34.817 34.817 359 H CYS 47 H CYS 47 -1.461 36.084 36.084 360 HA CYS 47 HA CYS 47 0.083 37.691 37.691 361 1HB CYS 47 HB2 CYS 47 -2.546 38.436 38.436 362 2HB CYS 47 HB1 CYS 47 -1.261 39.386 39.386 363 HG CYS 47 HG CYS 47 -4.097 38.559 38.559 364 H LEU 48 H LEU 48 -2.703 35.482 35.482 365 HA LEU 48 HA LEU 48 -2.620 34.753 34.753 366 1HB LEU 48 HB2 LEU 48 -4.724 33.397 33.397 367 2HB LEU 48 HB1 LEU 48 -4.775 35.055 35.055 368 HG LEU 48 HG LEU 48 -4.334 34.533 34.533 369 1HD1 LEU 48 HD1 LEU 48 -7.068 34.534 34.534 370 2HD1 LEU 48 HD1 LEU 48 -6.788 34.621 34.621 371 3HD1 LEU 48 HD1 LEU 48 -6.298 33.179 33.179 372 1HD2 LEU 48 HD2 LEU 48 -4.067 36.837 36.837 373 2HD2 LEU 48 HD2 LEU 48 -5.504 36.724 36.724 374 3HD2 LEU 48 HD2 LEU 48 -5.694 36.810 36.810 375 H GLY 49 H GLY 49 -0.470 33.996 33.996 376 1HA GLY 49 HA1 GLY 49 -0.701 31.382 31.382 377 2HA GLY 49 HA2 GLY 49 0.799 32.131 32.131 378 H ASN 50 H ASN 50 1.275 29.833 29.833 379 HA ASN 50 HA ASN 50 -0.296 28.649 28.649 380 1HB ASN 50 HB2 ASN 50 1.515 27.051 27.051 381 2HB ASN 50 HB1 ASN 50 1.296 27.407 27.407 382 1HD2 ASN 50 HD2 ASN 50 3.557 26.347 26.347 383 2HD2 ASN 50 HD2 ASN 50 4.913 27.474 27.474 384 H MET 51 H MET 51 1.586 27.884 27.884 385 HA MET 51 HA MET 51 1.890 30.440 30.440 386 1HB MET 51 HB2 MET 51 1.354 27.671 27.671 387 2HB MET 51 HB1 MET 51 2.805 28.223 28.223 388 1HG MET 51 HG2 MET 51 0.757 30.286 30.286 389 2HG MET 51 HG1 MET 51 0.078 28.749 28.749 390 1HE MET 51 HE1 MET 51 1.510 31.903 31.903 391 2HE MET 51 HE3 MET 51 2.934 31.559 31.559 392 3HE MET 51 HE2 MET 51 3.034 31.379 31.379 393 H ASN 52 H ASN 52 3.773 27.840 27.840 394 HA ASN 52 HA ASN 52 6.298 28.663 28.663 395 1HB ASN 52 HB2 ASN 52 5.574 26.347 26.347 396 2HB ASN 52 HB1 ASN 52 6.061 27.135 27.135 397 1HD2 ASN 52 HD2 ASN 52 9.015 25.292 25.292 398 2HD2 ASN 52 HD2 ASN 52 7.397 24.961 24.961 399 H ASN 53 H ASN 53 5.845 31.036 31.036 400 HA ASN 53 HA ASN 53 7.198 31.603 31.603 401 1HB ASN 53 HB2 ASN 53 4.954 31.962 31.962 402 2HB ASN 53 HB1 ASN 53 4.466 32.609 32.609 403 1HD2 ASN 53 HD2 ASN 53 5.110 35.931 35.931 404 2HD2 ASN 53 HD2 ASN 53 4.380 34.713 34.713 405 H PHE 54 H PHE 54 8.971 31.984 31.984 406 HA PHE 54 HA PHE 54 8.652 34.275 34.275 407 1HB PHE 54 HB2 PHE 54 11.077 32.582 32.582 408 2HB PHE 54 HB1 PHE 54 10.910 33.714 33.714 409 HD1 PHE 54 HD2 PHE 54 9.578 33.196 33.196 410 HD2 PHE 54 HD1 PHE 54 9.967 30.345 30.345 411 HE1 PHE 54 HE2 PHE 54 8.718 31.395 31.395 412 HE2 PHE 54 HE1 PHE 54 9.106 28.551 28.551 413 HZ PHE 54 HZ PHE 54 8.481 29.071 29.071 414 H GLU 55 H GLU 55 10.643 35.851 35.851 415 HA GLU 55 HA GLU 55 10.907 36.731 36.731 416 1HB GLU 55 HB2 GLU 55 11.398 38.568 38.568 417 2HB GLU 55 HB1 GLU 55 10.882 38.960 38.960 418 1HG GLU 55 HG2 GLU 55 8.670 37.963 37.963 419 2HG GLU 55 HG1 GLU 55 9.197 37.486 37.486 420 H THR 56 H THR 56 12.545 35.607 35.607 421 HA THR 56 HA THR 56 15.152 36.090 36.090 422 HB THR 56 HB THR 56 15.908 36.283 36.283 423 HG1 THR 56 HG1 THR 56 13.317 37.427 37.427 424 1HG2 THR 56 HG2 THR 56 14.823 38.314 38.314 425 2HG2 THR 56 HG2 THR 56 15.037 38.838 38.838 426 3HG2 THR 56 HG2 THR 56 16.438 38.261 38.261 427 H LEU 57 H LEU 57 16.840 34.503 34.503 428 HA LEU 57 HA LEU 57 15.692 31.869 31.869 429 1HB LEU 57 HB2 LEU 57 17.676 32.559 32.559 430 2HB LEU 57 HB1 LEU 57 18.579 32.671 32.671 431 HG LEU 57 HG LEU 57 17.677 30.189 30.189 432 1HD1 LEU 57 HD1 LEU 57 17.874 30.560 30.560 433 2HD1 LEU 57 HD1 LEU 57 17.778 28.987 28.987 434 3HD1 LEU 57 HD1 LEU 57 16.424 30.131 30.131 435 1HD2 LEU 57 HD2 LEU 57 20.043 30.828 30.828 436 2HD2 LEU 57 HD2 LEU 57 19.857 29.377 29.377 437 3HD2 LEU 57 HD2 LEU 57 20.123 30.966 30.966 438 H GLU 58 H GLU 58 17.777 33.809 33.809 439 HA GLU 58 HA GLU 58 17.912 31.902 31.902 440 1HB GLU 58 HB2 GLU 58 18.974 34.358 34.358 441 2HB GLU 58 HB1 GLU 58 17.679 34.769 34.769 442 1HG GLU 58 HG2 GLU 58 18.513 33.019 33.019 443 2HG GLU 58 HG1 GLU 58 19.797 32.609 32.609 444 H GLU 59 H GLU 59 15.378 34.282 34.282 445 HA GLU 59 HA GLU 59 13.866 33.923 33.923 446 1HB GLU 59 HB2 GLU 59 13.687 35.812 35.812 447 2HB GLU 59 HB1 GLU 59 12.687 34.685 34.685 448 1HG GLU 59 HG2 GLU 59 11.377 34.420 34.420 449 2HG GLU 59 HG1 GLU 59 12.148 35.966 35.966 450 H CYS 60 H CYS 60 13.641 32.478 32.478 451 HA CYS 60 HA CYS 60 11.412 30.841 30.841 452 1HB CYS 60 HB2 CYS 60 11.931 31.141 31.141 453 2HB CYS 60 HB1 CYS 60 13.640 30.729 30.729 454 HG CYS 60 HG CYS 60 10.996 28.697 28.697 455 H LYS 61 H LYS 61 14.875 30.506 30.506 456 HA LYS 61 HA LYS 61 14.600 27.710 27.710 457 1HB LYS 61 HB2 LYS 61 16.858 29.702 29.702 458 2HB LYS 61 HB1 LYS 61 16.998 28.105 28.105 459 1HG LYS 61 HG2 LYS 61 16.097 27.271 27.271 460 2HG LYS 61 HG1 LYS 61 16.717 28.838 28.838 461 1HD LYS 61 HD2 LYS 61 18.948 28.297 28.297 462 2HD LYS 61 HD1 LYS 61 18.382 26.887 26.887 463 1HE LYS 61 HE2 LYS 61 18.134 27.166 27.166 464 2HE LYS 61 HE1 LYS 61 19.493 26.353 26.353 465 1HZ LYS 61 HZ1 LYS 61 16.641 25.619 25.619 466 2HZ LYS 61 HZ3 LYS 61 17.786 24.817 24.817 467 3HZ LYS 61 HZ2 LYS 61 17.908 24.841 24.841 468 H ASN 62 H ASN 62 14.765 30.905 30.905 469 HA ASN 62 HA ASN 62 15.015 30.057 30.057 470 1HB ASN 62 HB2 ASN 62 14.476 32.472 32.472 471 2HB ASN 62 HB1 ASN 62 13.035 32.203 32.203 472 1HD2 ASN 62 HD2 ASN 62 14.548 33.355 33.355 473 2HD2 ASN 62 HD2 ASN 62 13.114 33.097 33.097 474 H ILE 63 H ILE 63 12.057 30.456 30.456 475 HA ILE 63 HA ILE 63 10.358 29.519 29.519 476 HB ILE 63 HB ILE 63 10.084 30.585 30.585 477 1HG1 ILE 63 HG1 ILE 63 8.083 30.718 30.718 478 2HG1 ILE 63 HG1 ILE 63 9.589 31.658 31.658 479 1HG2 ILE 63 HG2 ILE 63 8.026 28.567 28.567 480 2HG2 ILE 63 HG2 ILE 63 7.789 29.694 29.694 481 3HG2 ILE 63 HG2 ILE 63 9.037 28.436 28.436 482 1HD1 ILE 63 HD1 ILE 63 7.440 31.765 31.765 483 2HD1 ILE 63 HD1 ILE 63 7.706 32.988 32.988 484 3HD1 ILE 63 HD1 ILE 63 8.934 32.723 32.723 485 H CYS 64 H CYS 64 11.563 28.185 28.185 486 HA CYS 64 HA CYS 64 10.390 25.594 25.594 487 1HB CYS 64 HB2 CYS 64 12.414 26.273 26.273 488 2HB CYS 64 HB1 CYS 64 11.322 24.875 24.875 489 HG CYS 64 HG CYS 64 10.816 27.556 27.556 490 H GLU 65 H GLU 65 13.768 26.025 26.025 491 HA GLU 65 HA GLU 65 14.949 23.945 23.945 492 1HB GLU 65 HB2 GLU 65 15.879 26.727 26.727 493 2HB GLU 65 HB1 GLU 65 16.878 25.764 25.764 494 1HG GLU 65 HG2 GLU 65 16.271 24.024 24.024 495 2HG GLU 65 HG1 GLU 65 16.587 25.588 25.588 496 H ASP 66 H ASP 66 13.866 26.876 26.876 497 HA ASP 66 HA ASP 66 13.598 27.289 27.289 498 1HB ASP 66 HB2 ASP 66 12.766 25.598 25.598 499 2HB ASP 66 HB1 ASP 66 12.440 24.963 24.963 500 H GLY 67 H GLY 67 14.610 26.692 26.692 501 1HA GLY 67 HA1 GLY 67 17.216 25.553 25.553 502 2HA GLY 67 HA2 GLY 67 17.380 27.299 27.299 503 HA PRO 68 HA PRO 68 16.488 27.860 27.860 504 1HB PRO 68 HB2 PRO 68 15.441 30.481 30.481 505 2HB PRO 68 HB1 PRO 68 17.172 30.097 30.097 506 1HG PRO 68 HG2 PRO 68 15.351 30.994 30.994 507 2HG PRO 68 HG1 PRO 68 17.125 31.008 31.008 508 1HD PRO 68 HD2 PRO 68 15.450 29.194 29.194 509 2HD PRO 68 HD1 PRO 68 17.218 29.159 29.159 510 H ASN 69 H ASN 69 14.101 27.293 27.293 511 HA ASN 69 HA ASN 69 11.938 26.579 26.579 512 1HB ASN 69 HB2 ASN 69 12.823 25.657 25.657 513 2HB ASN 69 HB1 ASN 69 12.232 27.155 27.155 514 1HD2 ASN 69 HD2 ASN 69 8.885 26.191 26.191 515 2HD2 ASN 69 HD2 ASN 69 10.158 27.363 27.363 516 H GLY 70 H GLY 70 9.724 27.423 27.423 517 1HA GLY 70 HA1 GLY 70 8.204 29.154 29.154 518 2HA GLY 70 HA2 GLY 70 9.281 29.981 29.981 519 H PHE 71 H PHE 71 7.815 30.214 30.214 520 HA PHE 71 HA PHE 71 9.808 32.264 32.264 521 1HB PHE 71 HB2 PHE 71 8.534 30.777 30.777 522 2HB PHE 71 HB1 PHE 71 10.206 31.269 31.269 523 HD1 PHE 71 HD2 PHE 71 11.537 29.890 29.890 524 HD2 PHE 71 HD1 PHE 71 8.116 28.450 28.450 525 HE1 PHE 71 HE2 PHE 71 12.208 27.545 27.545 526 HE2 PHE 71 HE1 PHE 71 8.794 26.109 26.109 527 HZ PHE 71 HZ PHE 71 10.840 25.652 25.652 Start of MODEL 24 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.430 -0.044 -0.044 3 1HB ASP 1 HB2 ASP 1 3.700 1.199 1.199 4 2HB ASP 1 HB1 ASP 1 3.560 1.161 1.161 5 H TYR 2 H TYR 2 3.793 -0.696 -0.696 6 HA TYR 2 HA TYR 2 5.425 -2.339 -2.339 7 1HB TYR 2 HB1 TYR 2 4.841 -3.402 -3.402 8 2HB TYR 2 HB2 TYR 2 6.381 -3.218 -3.218 9 HD1 TYR 2 HD2 TYR 2 6.389 -0.353 -0.353 10 HD2 TYR 2 HD1 TYR 2 5.091 -2.227 -2.227 11 HE1 TYR 2 HE2 TYR 2 6.852 1.747 1.747 12 HE2 TYR 2 HE1 TYR 2 5.555 -0.127 -0.127 13 HH TYR 2 HH TYR 2 7.022 1.987 1.987 14 H LYS 3 H LYS 3 3.730 -3.109 -3.109 15 HA LYS 3 HA LYS 3 1.761 -4.959 -4.959 16 1HB LYS 3 HB2 LYS 3 3.155 -4.263 -4.263 17 2HB LYS 3 HB1 LYS 3 2.153 -5.727 -5.727 18 1HG LYS 3 HG2 LYS 3 1.217 -2.964 -2.964 19 2HG LYS 3 HG1 LYS 3 0.929 -3.638 -3.638 20 1HD LYS 3 HD2 LYS 3 -0.075 -5.674 -5.674 21 2HD LYS 3 HD1 LYS 3 -0.205 -4.481 -4.481 22 1HE LYS 3 HE2 LYS 3 -2.027 -3.545 -3.545 23 2HE LYS 3 HE1 LYS 3 -1.174 -3.369 -3.369 24 1HZ LYS 3 HZ1 LYS 3 -2.496 -5.825 -5.825 25 2HZ LYS 3 HZ3 LYS 3 -3.091 -4.784 -4.784 26 3HZ LYS 3 HZ2 LYS 3 -1.714 -5.665 -5.665 27 H ASP 4 H ASP 4 1.970 -7.352 -7.352 28 HA ASP 4 HA ASP 4 4.200 -8.636 -8.636 29 1HB ASP 4 HB2 ASP 4 1.609 -9.631 -9.631 30 2HB ASP 4 HB1 ASP 4 2.884 -10.732 -10.732 31 H ASP 5 H ASP 5 4.806 -7.186 -7.186 32 HA ASP 5 HA ASP 5 6.360 -9.099 -9.099 33 1HB ASP 5 HB2 ASP 5 4.152 -9.880 -9.880 34 2HB ASP 5 HB1 ASP 5 3.837 -8.244 -8.244 35 H ASP 6 H ASP 6 8.036 -7.754 -7.754 36 HA ASP 6 HA ASP 6 7.734 -5.537 -5.537 37 1HB ASP 6 HB2 ASP 6 8.316 -4.967 -4.967 38 2HB ASP 6 HB1 ASP 6 8.600 -3.822 -3.822 39 H ASP 7 H ASP 7 9.270 -7.580 -7.580 40 HA ASP 7 HA ASP 7 11.961 -6.526 -6.526 41 1HB ASP 7 HB2 ASP 7 11.522 -7.765 -7.765 42 2HB ASP 7 HB1 ASP 7 11.533 -9.238 -9.238 43 H LYS 8 H LYS 8 9.944 -9.505 -9.505 44 HA LYS 8 HA LYS 8 10.852 -9.659 -9.659 45 1HB LYS 8 HB2 LYS 8 11.730 -11.938 -11.938 46 2HB LYS 8 HB1 LYS 8 12.676 -10.803 -10.803 47 1HG LYS 8 HG2 LYS 8 10.930 -11.602 -11.602 48 2HG LYS 8 HG1 LYS 8 10.849 -13.036 -13.036 49 1HD LYS 8 HD2 LYS 8 13.378 -11.817 -11.817 50 2HD LYS 8 HD1 LYS 8 12.567 -13.286 -13.286 51 1HE LYS 8 HE2 LYS 8 13.806 -14.475 -14.475 52 2HE LYS 8 HE1 LYS 8 12.973 -13.636 -13.636 53 1HZ LYS 8 HZ1 LYS 8 15.401 -12.688 -12.688 54 2HZ LYS 8 HZ3 LYS 8 15.345 -13.382 -13.382 55 3HZ LYS 8 HZ2 LYS 8 14.637 -11.904 -11.904 56 H LEU 9 H LEU 9 8.521 -9.098 -9.098 57 HA LEU 9 HA LEU 9 6.427 -10.474 -10.474 58 1HB LEU 9 HB2 LEU 9 5.167 -9.932 -9.932 59 2HB LEU 9 HB1 LEU 9 6.080 -8.583 -8.583 60 HG LEU 9 HG LEU 9 5.961 -9.201 -9.201 61 1HD1 LEU 9 HD1 LEU 9 8.297 -7.884 -7.884 62 2HD1 LEU 9 HD1 LEU 9 7.955 -7.741 -7.741 63 3HD1 LEU 9 HD1 LEU 9 6.807 -7.096 -7.096 64 1HD2 LEU 9 HD2 LEU 9 7.160 -11.328 -11.328 65 2HD2 LEU 9 HD2 LEU 9 8.156 -10.173 -10.173 66 3HD2 LEU 9 HD2 LEU 9 8.526 -10.503 -10.503 67 H LYS 10 H LYS 10 4.939 -12.165 -12.165 68 HA LYS 10 HA LYS 10 6.355 -14.570 -14.570 69 1HB LYS 10 HB2 LYS 10 3.660 -13.748 -13.748 70 2HB LYS 10 HB1 LYS 10 3.758 -14.798 -14.798 71 1HG LYS 10 HG2 LYS 10 5.254 -16.273 -16.273 72 2HG LYS 10 HG1 LYS 10 4.298 -15.410 -15.410 73 1HD LYS 10 HD2 LYS 10 3.102 -17.430 -17.430 74 2HD LYS 10 HD1 LYS 10 2.223 -16.130 -16.130 75 1HE LYS 10 HE2 LYS 10 3.456 -16.717 -16.717 76 2HE LYS 10 HE1 LYS 10 4.229 -18.063 -18.063 77 1HZ LYS 10 HZ1 LYS 10 1.322 -17.704 -17.704 78 2HZ LYS 10 HZ3 LYS 10 2.306 -18.766 -18.766 79 3HZ LYS 10 HZ2 LYS 10 2.038 -18.976 -18.976 80 HA PRO 11 HA PRO 11 7.776 -14.648 -14.648 81 1HB PRO 11 HB2 PRO 11 7.357 -17.379 -17.379 82 2HB PRO 11 HB1 PRO 11 8.757 -16.755 -16.755 83 1HG PRO 11 HG2 PRO 11 6.407 -18.233 -18.233 84 2HG PRO 11 HG1 PRO 11 7.984 -17.971 -17.971 85 1HD PRO 11 HD2 PRO 11 5.509 -16.675 -16.675 86 2HD PRO 11 HD1 PRO 11 7.114 -16.351 -16.351 87 H ASP 12 H ASP 12 6.591 -13.493 -13.493 88 HA ASP 12 HA ASP 12 3.828 -13.945 -13.945 89 1HB ASP 12 HB2 ASP 12 5.076 -11.848 -11.848 90 2HB ASP 12 HB1 ASP 12 5.943 -12.706 -12.706 91 H PHE 13 H PHE 13 6.808 -15.313 -15.313 92 HA PHE 13 HA PHE 13 5.855 -16.380 -16.380 93 1HB PHE 13 HB2 PHE 13 7.724 -17.777 -17.777 94 2HB PHE 13 HB1 PHE 13 8.215 -16.335 -16.335 95 HD1 PHE 13 HD1 PHE 13 6.706 -19.733 -19.733 96 HD2 PHE 13 HD2 PHE 13 9.312 -16.543 -16.543 97 HE1 PHE 13 HE1 PHE 13 7.377 -21.089 -21.089 98 HE2 PHE 13 HE2 PHE 13 9.977 -17.907 -17.907 99 HZ PHE 13 HZ PHE 13 9.012 -20.180 -20.180 100 H CYS 14 H CYS 14 5.331 -17.394 -17.394 101 HA CYS 14 HA CYS 14 4.379 -20.001 -20.001 102 1HB CYS 14 HB2 CYS 14 4.030 -18.127 -18.127 103 2HB CYS 14 HB1 CYS 14 3.165 -19.675 -19.675 104 HG CYS 14 HG CYS 14 5.326 -20.242 -20.242 105 H PHE 15 H PHE 15 2.827 -16.779 -16.779 106 HA PHE 15 HA PHE 15 0.123 -17.901 -17.901 107 1HB PHE 15 HB2 PHE 15 1.003 -15.009 -15.009 108 2HB PHE 15 HB1 PHE 15 -0.613 -15.657 -15.657 109 HD1 PHE 15 HD1 PHE 15 -0.350 -17.742 -17.742 110 HD2 PHE 15 HD2 PHE 15 1.619 -13.902 -13.902 111 HE1 PHE 15 HE1 PHE 15 -0.064 -17.707 -17.707 112 HE2 PHE 15 HE2 PHE 15 1.901 -13.875 -13.875 113 HZ PHE 15 HZ PHE 15 1.061 -15.776 -15.776 114 H LEU 16 H LEU 16 2.615 -18.108 -18.108 115 HA LEU 16 HA LEU 16 1.431 -16.667 -16.667 116 1HB LEU 16 HB2 LEU 16 4.023 -16.966 -16.966 117 2HB LEU 16 HB1 LEU 16 3.911 -18.076 -18.076 118 HG LEU 16 HG LEU 16 4.768 -15.904 -15.904 119 1HD1 LEU 16 HD1 LEU 16 1.982 -16.452 -16.452 120 2HD1 LEU 16 HD1 LEU 16 3.204 -15.405 -15.405 121 3HD1 LEU 16 HD1 LEU 16 3.511 -17.142 -17.142 122 1HD2 LEU 16 HD2 LEU 16 3.697 -14.488 -14.488 123 2HD2 LEU 16 HD2 LEU 16 3.319 -13.873 -13.873 124 3HD2 LEU 16 HD2 LEU 16 2.102 -14.786 -14.786 125 H GLU 17 H GLU 17 0.028 -17.764 -17.764 126 HA GLU 17 HA GLU 17 -0.748 -20.343 -20.343 127 1HB GLU 17 HB2 GLU 17 -1.023 -20.187 -20.187 128 2HB GLU 17 HB1 GLU 17 -2.058 -19.285 -19.285 129 1HG GLU 17 HG2 GLU 17 0.501 -17.953 -17.953 130 2HG GLU 17 HG1 GLU 17 -0.645 -18.162 -18.162 131 H GLU 18 H GLU 18 -0.084 -22.407 -22.407 132 HA GLU 18 HA GLU 18 2.609 -22.966 -22.966 133 1HB GLU 18 HB2 GLU 18 2.019 -25.177 -25.177 134 2HB GLU 18 HB1 GLU 18 0.485 -24.520 -24.520 135 1HG GLU 18 HG2 GLU 18 0.156 -24.073 -24.073 136 2HG GLU 18 HG1 GLU 18 1.241 -25.476 -25.476 137 H ASP 19 H ASP 19 4.098 -23.429 -23.429 138 HA ASP 19 HA ASP 19 3.198 -22.892 -22.892 139 1HB ASP 19 HB2 ASP 19 4.196 -20.811 -20.811 140 2HB ASP 19 HB1 ASP 19 5.736 -21.648 -21.648 141 HA PRO 20 HA PRO 20 5.962 -26.472 -26.472 142 1HB PRO 20 HB2 PRO 20 4.808 -27.656 -27.656 143 2HB PRO 20 HB1 PRO 20 4.252 -27.948 -27.948 144 1HG PRO 20 HG2 PRO 20 3.024 -26.357 -26.357 145 2HG PRO 20 HG1 PRO 20 2.309 -27.001 -27.001 146 1HD PRO 20 HD2 PRO 20 3.076 -24.295 -24.295 147 2HD PRO 20 HD1 PRO 20 2.458 -24.976 -24.976 148 H GLY 21 H GLY 21 5.530 -23.884 -23.884 149 1HA GLY 21 HA1 GLY 21 7.448 -22.925 -22.925 150 2HA GLY 21 HA2 GLY 21 8.136 -24.548 -24.548 151 H ILE 22 H ILE 22 8.381 -24.321 -24.321 152 HA ILE 22 HA ILE 22 5.820 -24.068 -24.068 153 HB ILE 22 HB ILE 22 8.424 -23.892 -23.892 154 1HG1 ILE 22 HG1 ILE 22 7.285 -21.606 -21.606 155 2HG1 ILE 22 HG1 ILE 22 8.744 -22.538 -22.538 156 1HG2 ILE 22 HG2 ILE 22 5.773 -22.425 -22.425 157 2HG2 ILE 22 HG2 ILE 22 7.209 -22.179 -22.179 158 3HG2 ILE 22 HG2 ILE 22 6.382 -23.749 -23.749 159 1HD1 ILE 22 HD1 ILE 22 8.326 -20.841 -20.841 160 2HD1 ILE 22 HD1 ILE 22 9.312 -20.391 -20.391 161 3HD1 ILE 22 HD1 ILE 22 9.796 -21.756 -21.756 162 H CYS 23 H CYS 23 8.370 -26.209 -26.209 163 HA CYS 23 HA CYS 23 7.811 -28.077 -28.077 164 1HB CYS 23 HB2 CYS 23 9.526 -29.490 -29.490 165 2HB CYS 23 HB1 CYS 23 10.074 -27.994 -27.994 166 HG CYS 23 HG CYS 23 11.494 -28.231 -28.231 167 H ARG 24 H ARG 24 7.856 -30.561 -30.561 168 HA ARG 24 HA ARG 24 5.343 -30.617 -30.617 169 1HB ARG 24 HB2 ARG 24 6.068 -32.149 -32.149 170 2HB ARG 24 HB1 ARG 24 6.907 -33.079 -33.079 171 1HG ARG 24 HG2 ARG 24 4.784 -33.341 -33.341 172 2HG ARG 24 HG1 ARG 24 3.946 -32.345 -32.345 173 1HD ARG 24 HD2 ARG 24 5.166 -34.295 -34.295 174 2HD ARG 24 HD1 ARG 24 4.735 -35.198 -35.198 175 HE ARG 24 HE ARG 24 2.520 -35.074 -35.074 176 1HH1 ARG 24 HH1 ARG 24 4.343 -32.489 -32.489 177 2HH1 ARG 24 HH1 ARG 24 2.984 -31.910 -31.910 178 1HH2 ARG 24 HH2 ARG 24 0.701 -34.323 -34.323 179 2HH2 ARG 24 HH2 ARG 24 0.904 -32.957 -32.957 180 H GLY 25 H GLY 25 8.472 -32.450 -32.450 181 1HA GLY 25 HA1 GLY 25 9.145 -33.590 -33.590 182 2HA GLY 25 HA2 GLY 25 9.600 -31.900 -31.900 183 H TYR 26 H TYR 26 7.208 -34.477 -34.477 184 HA TYR 26 HA TYR 26 5.856 -32.652 -32.652 185 1HB TYR 26 HB1 TYR 26 5.187 -35.484 -35.484 186 2HB TYR 26 HB2 TYR 26 4.240 -34.578 -34.578 187 HD1 TYR 26 HD2 TYR 26 5.037 -31.906 -31.906 188 HD2 TYR 26 HD1 TYR 26 2.919 -35.629 -35.629 189 HE1 TYR 26 HE2 TYR 26 3.710 -30.864 -30.864 190 HE2 TYR 26 HE1 TYR 26 1.594 -34.586 -34.586 191 HH TYR 26 HH TYR 26 1.893 -31.117 -31.117 192 H ILE 27 H ILE 27 5.875 -32.934 -32.934 193 HA ILE 27 HA ILE 27 7.258 -35.261 -35.261 194 HB ILE 27 HB ILE 27 8.356 -32.797 -32.797 195 1HG1 ILE 27 HG1 ILE 27 9.203 -33.665 -33.665 196 2HG1 ILE 27 HG1 ILE 27 8.221 -32.232 -32.232 197 1HG2 ILE 27 HG2 ILE 27 9.585 -35.422 -35.422 198 2HG2 ILE 27 HG2 ILE 27 10.467 -34.116 -34.116 199 3HG2 ILE 27 HG2 ILE 27 9.154 -34.980 -34.980 200 1HD1 ILE 27 HD1 ILE 27 11.060 -32.761 -32.761 201 2HD1 ILE 27 HD1 ILE 27 10.607 -31.639 -31.639 202 3HD1 ILE 27 HD1 ILE 27 10.092 -31.316 -31.316 203 H THR 28 H THR 28 6.015 -35.938 -35.938 204 HA THR 28 HA THR 28 3.813 -34.557 -34.557 205 HB THR 28 HB THR 28 5.502 -36.753 -36.753 206 HG1 THR 28 HG1 THR 28 3.148 -36.730 -36.730 207 1HG2 THR 28 HG2 THR 28 2.824 -35.450 -35.450 208 2HG2 THR 28 HG2 THR 28 2.911 -37.221 -37.221 209 3HG2 THR 28 HG2 THR 28 3.942 -36.241 -36.241 210 H ARG 29 H ARG 29 4.672 -32.318 -32.318 211 HA ARG 29 HA ARG 29 6.217 -31.930 -31.930 212 1HB ARG 29 HB2 ARG 29 5.803 -30.100 -30.100 213 2HB ARG 29 HB1 ARG 29 6.615 -29.606 -29.606 214 1HG ARG 29 HG2 ARG 29 7.470 -31.873 -31.873 215 2HG ARG 29 HG1 ARG 29 8.245 -30.281 -30.281 216 1HD ARG 29 HD2 ARG 29 8.760 -30.763 -30.763 217 2HD ARG 29 HD1 ARG 29 8.049 -32.377 -32.377 218 HE ARG 29 HE ARG 29 10.167 -31.657 -31.657 219 1HH1 ARG 29 HH1 ARG 29 9.334 -33.192 -33.192 220 2HH1 ARG 29 HH1 ARG 29 10.787 -34.194 -34.194 221 1HH2 ARG 29 HH2 ARG 29 12.104 -32.976 -32.976 222 2HH2 ARG 29 HH2 ARG 29 12.370 -34.070 -34.070 223 H TYR 30 H TYR 30 5.599 -29.628 -29.628 224 HA TYR 30 HA TYR 30 2.618 -29.467 -29.467 225 1HB TYR 30 HB1 TYR 30 4.390 -29.336 -29.336 226 2HB TYR 30 HB2 TYR 30 2.653 -29.080 -29.080 227 HD1 TYR 30 HD1 TYR 30 5.197 -31.724 -31.724 228 HD2 TYR 30 HD2 TYR 30 1.174 -30.848 -30.848 229 HE1 TYR 30 HE1 TYR 30 4.779 -34.145 -34.145 230 HE2 TYR 30 HE2 TYR 30 0.758 -33.270 -33.270 231 HH TYR 30 HH TYR 30 3.064 -35.774 -35.774 232 H PHE 31 H PHE 31 1.708 -27.359 -27.359 233 HA PHE 31 HA PHE 31 3.605 -25.064 -25.064 234 1HB PHE 31 HB2 PHE 31 2.996 -24.100 -24.100 235 2HB PHE 31 HB1 PHE 31 3.169 -25.791 -25.791 236 HD1 PHE 31 HD2 PHE 31 1.021 -27.280 -27.280 237 HD2 PHE 31 HD1 PHE 31 0.950 -22.956 -22.956 238 HE1 PHE 31 HE2 PHE 31 -1.286 -27.319 -27.319 239 HE2 PHE 31 HE1 PHE 31 -1.356 -23.005 -23.005 240 HZ PHE 31 HZ PHE 31 -2.478 -25.183 -25.183 241 H TYR 32 H TYR 32 2.657 -23.233 -23.233 242 HA TYR 32 HA TYR 32 0.161 -23.816 -23.816 243 1HB TYR 32 HB1 TYR 32 2.140 -22.534 -22.534 244 2HB TYR 32 HB2 TYR 32 1.745 -21.211 -21.211 245 HD1 TYR 32 HD1 TYR 32 0.620 -23.062 -23.062 246 HD2 TYR 32 HD2 TYR 32 -0.193 -19.764 -19.764 247 HE1 TYR 32 HE1 TYR 32 -0.989 -22.128 -22.128 248 HE2 TYR 32 HE2 TYR 32 -1.802 -18.831 -18.831 249 HH TYR 32 HH TYR 32 -2.989 -20.551 -20.551 250 H ASN 33 H ASN 33 -1.677 -23.843 -23.843 251 HA ASN 33 HA ASN 33 -1.991 -21.816 -21.816 252 1HB ASN 33 HB2 ASN 33 -2.619 -24.267 -24.267 253 2HB ASN 33 HB1 ASN 33 -3.899 -24.030 -24.030 254 1HD2 ASN 33 HD2 ASN 33 -5.608 -23.626 -23.626 255 2HD2 ASN 33 HD2 ASN 33 -4.906 -24.875 -24.875 256 H ASN 34 H ASN 34 -3.097 -19.955 -19.955 257 HA ASN 34 HA ASN 34 -4.223 -19.313 -19.313 258 1HB ASN 34 HB2 ASN 34 -3.453 -17.471 -17.471 259 2HB ASN 34 HB1 ASN 34 -4.316 -18.035 -18.035 260 1HD2 ASN 34 HD2 ASN 34 -6.143 -15.807 -15.807 261 2HD2 ASN 34 HD2 ASN 34 -4.534 -16.514 -16.514 262 H GLN 35 H GLN 35 -5.472 -20.794 -20.794 263 HA GLN 35 HA GLN 35 -8.168 -20.211 -20.211 264 1HB GLN 35 HB2 GLN 35 -6.807 -21.741 -21.741 265 2HB GLN 35 HB1 GLN 35 -7.307 -23.045 -23.045 266 1HG GLN 35 HG2 GLN 35 -9.418 -21.114 -21.114 267 2HG GLN 35 HG1 GLN 35 -8.790 -22.235 -22.235 268 1HE2 GLN 35 HE2 GLN 35 -9.787 -25.205 -25.205 269 2HE2 GLN 35 HE2 GLN 35 -8.360 -24.525 -24.525 270 H THR 36 H THR 36 -6.345 -22.778 -22.778 271 HA THR 36 HA THR 36 -8.716 -23.045 -23.045 272 HB THR 36 HB THR 36 -7.961 -25.394 -25.394 273 HG1 THR 36 HG1 THR 36 -5.985 -25.925 -25.925 274 1HG2 THR 36 HG2 THR 36 -8.166 -24.342 -24.342 275 2HG2 THR 36 HG2 THR 36 -7.547 -25.991 -25.991 276 3HG2 THR 36 HG2 THR 36 -9.175 -25.579 -25.579 277 H LYS 37 H LYS 37 -6.379 -21.049 -21.049 278 HA LYS 37 HA LYS 37 -4.656 -20.385 -20.385 279 1HB LYS 37 HB2 LYS 37 -7.003 -20.700 -20.700 280 2HB LYS 37 HB1 LYS 37 -5.558 -19.723 -19.723 281 1HG LYS 37 HG2 LYS 37 -6.162 -18.673 -18.673 282 2HG LYS 37 HG1 LYS 37 -7.782 -19.279 -19.279 283 1HD LYS 37 HD2 LYS 37 -6.091 -17.430 -17.430 284 2HD LYS 37 HD1 LYS 37 -7.452 -16.919 -16.919 285 1HE LYS 37 HE2 LYS 37 -7.645 -18.950 -18.950 286 2HE LYS 37 HE1 LYS 37 -8.045 -17.229 -17.229 287 1HZ LYS 37 HZ1 LYS 37 -9.323 -19.134 -19.134 288 2HZ LYS 37 HZ3 LYS 37 -9.977 -18.566 -18.566 289 3HZ LYS 37 HZ2 LYS 37 -9.716 -17.528 -17.528 290 H GLN 38 H GLN 38 -3.998 -22.929 -22.929 291 HA GLN 38 HA GLN 38 -2.735 -23.753 -23.753 292 1HB GLN 38 HB2 GLN 38 -5.212 -24.904 -24.904 293 2HB GLN 38 HB1 GLN 38 -4.098 -26.088 -26.088 294 1HG GLN 38 HG2 GLN 38 -3.450 -26.782 -26.782 295 2HG GLN 38 HG1 GLN 38 -3.073 -25.120 -25.120 296 1HE2 GLN 38 HE2 GLN 38 -6.972 -26.527 -26.527 297 2HE2 GLN 38 HE2 GLN 38 -6.014 -26.934 -26.934 298 H CYS 39 H CYS 39 -2.098 -26.450 -26.450 299 HA CYS 39 HA CYS 39 -0.419 -25.672 -25.672 300 1HB CYS 39 HB2 CYS 39 0.031 -27.565 -27.565 301 2HB CYS 39 HB1 CYS 39 0.955 -27.702 -27.702 302 HG CYS 39 HG CYS 39 1.132 -25.292 -25.292 303 H GLU 40 H GLU 40 -0.870 -26.608 -26.608 304 HA GLU 40 HA GLU 40 -2.482 -29.103 -29.103 305 1HB GLU 40 HB2 GLU 40 -2.581 -26.700 -26.700 306 2HB GLU 40 HB1 GLU 40 -2.977 -28.284 -28.284 307 1HG GLU 40 HG2 GLU 40 -5.070 -27.886 -27.886 308 2HG GLU 40 HG1 GLU 40 -4.389 -28.317 -28.317 309 H ARG 41 H ARG 41 -1.913 -30.838 -30.838 310 HA ARG 41 HA ARG 41 0.916 -30.949 -30.949 311 1HB ARG 41 HB2 ARG 41 -1.306 -32.812 -32.812 312 2HB ARG 41 HB1 ARG 41 -0.413 -33.105 -33.105 313 1HG ARG 41 HG2 ARG 41 1.539 -33.686 -33.686 314 2HG ARG 41 HG1 ARG 41 1.158 -32.670 -32.670 315 1HD ARG 41 HD2 ARG 41 -0.011 -34.353 -34.353 316 2HD ARG 41 HD1 ARG 41 -0.730 -34.923 -34.923 317 HE ARG 41 HE ARG 41 2.064 -35.492 -35.492 318 1HH1 ARG 41 HH1 ARG 41 -0.882 -36.451 -36.451 319 2HH1 ARG 41 HH1 ARG 41 -0.328 -38.089 -38.089 320 1HH2 ARG 41 HH2 ARG 41 2.822 -37.661 -37.661 321 2HH2 ARG 41 HH2 ARG 41 1.788 -38.780 -38.780 322 H PHE 42 H PHE 42 1.882 -31.292 -31.292 323 HA PHE 42 HA PHE 42 0.373 -31.063 -31.063 324 1HB PHE 42 HB2 PHE 42 0.555 -28.864 -28.864 325 2HB PHE 42 HB1 PHE 42 0.268 -28.709 -28.709 326 HD1 PHE 42 HD2 PHE 42 2.579 -28.854 -28.854 327 HD2 PHE 42 HD1 PHE 42 2.258 -27.484 -27.484 328 HE1 PHE 42 HE2 PHE 42 4.673 -27.543 -27.543 329 HE2 PHE 42 HE1 PHE 42 4.352 -26.177 -26.177 330 HZ PHE 42 HZ PHE 42 5.562 -26.203 -26.203 331 H LYS 43 H LYS 43 2.005 -30.499 -30.499 332 HA LYS 43 HA LYS 43 4.467 -31.988 -31.988 333 1HB LYS 43 HB2 LYS 43 4.363 -31.624 -31.624 334 2HB LYS 43 HB1 LYS 43 3.951 -33.087 -33.087 335 1HG LYS 43 HG2 LYS 43 1.969 -30.827 -30.827 336 2HG LYS 43 HG1 LYS 43 2.165 -32.167 -32.167 337 1HD LYS 43 HD2 LYS 43 1.934 -33.459 -33.459 338 2HD LYS 43 HD1 LYS 43 0.819 -32.088 -32.088 339 1HE LYS 43 HE2 LYS 43 -0.202 -32.764 -32.764 340 2HE LYS 43 HE1 LYS 43 0.830 -34.208 -34.208 341 1HZ LYS 43 HZ1 LYS 43 -1.168 -33.470 -33.470 342 2HZ LYS 43 HZ3 LYS 43 -1.351 -34.642 -34.642 343 3HZ LYS 43 HZ2 LYS 43 -0.219 -34.832 -34.832 344 H TYR 44 H TYR 44 6.328 -31.158 -31.158 345 HA TYR 44 HA TYR 44 6.350 -28.220 -28.220 346 1HB TYR 44 HB1 TYR 44 7.149 -28.719 -28.719 347 2HB TYR 44 HB2 TYR 44 8.334 -29.850 -29.850 348 HD1 TYR 44 HD2 TYR 44 7.912 -26.866 -26.866 349 HD2 TYR 44 HD1 TYR 44 10.020 -28.493 -28.493 350 HE1 TYR 44 HE2 TYR 44 9.599 -25.057 -25.057 351 HE2 TYR 44 HE1 TYR 44 11.705 -26.684 -26.684 352 HH TYR 44 HH TYR 44 12.552 -25.049 -25.049 353 H GLY 45 H GLY 45 6.506 -28.289 -28.289 354 1HA GLY 45 HA1 GLY 45 7.964 -30.001 -30.001 355 2HA GLY 45 HA2 GLY 45 7.731 -28.281 -28.281 356 H GLY 46 H GLY 46 9.175 -27.120 -27.120 357 1HA GLY 46 HA1 GLY 46 11.391 -27.182 -27.182 358 2HA GLY 46 HA2 GLY 46 11.944 -28.196 -28.196 359 H CYS 47 H CYS 47 11.674 -27.132 -27.132 360 HA CYS 47 HA CYS 47 13.222 -25.300 -25.300 361 1HB CYS 47 HB2 CYS 47 10.264 -25.085 -25.085 362 2HB CYS 47 HB1 CYS 47 11.429 -23.997 -23.997 363 HG CYS 47 HG CYS 47 12.412 -25.748 -25.748 364 H LEU 48 H LEU 48 10.327 -23.341 -23.341 365 HA LEU 48 HA LEU 48 11.989 -21.523 -21.523 366 1HB LEU 48 HB2 LEU 48 11.149 -20.544 -20.544 367 2HB LEU 48 HB1 LEU 48 9.503 -21.113 -21.113 368 HG LEU 48 HG LEU 48 9.128 -19.507 -19.507 369 1HD1 LEU 48 HD1 LEU 48 12.130 -19.064 -19.064 370 2HD1 LEU 48 HD1 LEU 48 10.877 -18.145 -18.145 371 3HD1 LEU 48 HD1 LEU 48 11.071 -19.886 -19.886 372 1HD2 LEU 48 HD2 LEU 48 9.272 -18.436 -18.436 373 2HD2 LEU 48 HD2 LEU 48 9.834 -17.306 -17.306 374 3HD2 LEU 48 HD2 LEU 48 11.008 -18.142 -18.142 375 H GLY 49 H GLY 49 8.438 -21.459 -21.459 376 1HA GLY 49 HA1 GLY 49 6.910 -21.954 -21.954 377 2HA GLY 49 HA2 GLY 49 8.129 -22.978 -22.978 378 H ASN 50 H ASN 50 7.298 -22.024 -22.024 379 HA ASN 50 HA ASN 50 8.507 -19.329 -19.329 380 1HB ASN 50 HB2 ASN 50 6.736 -18.909 -18.909 381 2HB ASN 50 HB1 ASN 50 5.989 -19.295 -19.295 382 1HD2 ASN 50 HD2 ASN 50 3.901 -21.349 -21.349 383 2HD2 ASN 50 HD2 ASN 50 4.089 -19.779 -19.779 384 H MET 51 H MET 51 8.227 -19.255 -19.255 385 HA MET 51 HA MET 51 10.225 -21.287 -21.287 386 1HB MET 51 HB2 MET 51 9.109 -19.208 -19.208 387 2HB MET 51 HB1 MET 51 10.757 -19.857 -19.857 388 1HG MET 51 HG2 MET 51 9.398 -17.827 -17.827 389 2HG MET 51 HG1 MET 51 10.861 -17.605 -17.605 390 1HE MET 51 HE1 MET 51 12.737 -19.945 -19.945 391 2HE MET 51 HE3 MET 51 13.608 -19.544 -19.544 392 3HE MET 51 HE2 MET 51 13.247 -18.275 -18.275 393 H ASN 52 H ASN 52 6.803 -20.666 -20.666 394 HA ASN 52 HA ASN 52 6.302 -22.077 -22.077 395 1HB ASN 52 HB2 ASN 52 4.769 -20.442 -20.442 396 2HB ASN 52 HB1 ASN 52 4.309 -21.945 -21.945 397 1HD2 ASN 52 HD2 ASN 52 1.730 -21.895 -21.895 398 2HD2 ASN 52 HD2 ASN 52 2.180 -21.409 -21.409 399 H ASN 53 H ASN 53 8.024 -23.796 -23.796 400 HA ASN 53 HA ASN 53 6.383 -26.057 -26.057 401 1HB ASN 53 HB2 ASN 53 7.568 -25.526 -25.526 402 2HB ASN 53 HB1 ASN 53 9.012 -25.009 -25.009 403 1HD2 ASN 53 HD2 ASN 53 10.583 -28.111 -28.111 404 2HD2 ASN 53 HD2 ASN 53 10.626 -26.372 -26.372 405 H PHE 54 H PHE 54 6.314 -26.742 -26.742 406 HA PHE 54 HA PHE 54 8.900 -27.354 -27.354 407 1HB PHE 54 HB2 PHE 54 6.026 -27.768 -27.768 408 2HB PHE 54 HB1 PHE 54 7.462 -27.987 -27.987 409 HD1 PHE 54 HD2 PHE 54 8.819 -26.057 -26.057 410 HD2 PHE 54 HD1 PHE 54 5.158 -25.496 -25.496 411 HE1 PHE 54 HE2 PHE 54 8.740 -23.678 -23.678 412 HE2 PHE 54 HE1 PHE 54 5.088 -23.119 -23.119 413 HZ PHE 54 HZ PHE 54 6.876 -22.207 -22.207 414 H GLU 55 H GLU 55 8.931 -29.604 -29.604 415 HA GLU 55 HA GLU 55 8.285 -31.584 -31.584 416 1HB GLU 55 HB2 GLU 55 10.255 -31.771 -31.771 417 2HB GLU 55 HB1 GLU 55 9.979 -33.025 -33.025 418 1HG GLU 55 HG2 GLU 55 10.539 -31.129 -31.129 419 2HG GLU 55 HG1 GLU 55 11.220 -30.275 -30.275 420 H THR 56 H THR 56 8.038 -30.880 -30.880 421 HA THR 56 HA THR 56 6.012 -33.072 -33.072 422 HB THR 56 HB THR 56 6.793 -32.806 -32.806 423 HG1 THR 56 HG1 THR 56 9.066 -32.097 -32.097 424 1HG2 THR 56 HG2 THR 56 8.054 -34.262 -34.262 425 2HG2 THR 56 HG2 THR 56 8.966 -34.209 -34.209 426 3HG2 THR 56 HG2 THR 56 7.356 -34.956 -34.956 427 H LEU 57 H LEU 57 4.162 -32.645 -32.645 428 HA LEU 57 HA LEU 57 3.107 -30.044 -30.044 429 1HB LEU 57 HB2 LEU 57 1.860 -32.182 -32.182 430 2HB LEU 57 HB1 LEU 57 2.109 -32.115 -32.115 431 HG LEU 57 HG LEU 57 1.007 -29.778 -29.778 432 1HD1 LEU 57 HD1 LEU 57 -0.045 -31.122 -31.122 433 2HD1 LEU 57 HD1 LEU 57 -0.722 -29.643 -29.643 434 3HD1 LEU 57 HD1 LEU 57 0.932 -29.643 -29.643 435 1HD2 LEU 57 HD2 LEU 57 0.010 -31.629 -31.629 436 2HD2 LEU 57 HD2 LEU 57 -1.256 -30.774 -30.774 437 3HD2 LEU 57 HD2 LEU 57 -0.638 -32.337 -32.337 438 H GLU 58 H GLU 58 4.239 -31.712 -31.712 439 HA GLU 58 HA GLU 58 3.815 -29.589 -29.589 440 1HB GLU 58 HB2 GLU 58 4.856 -32.103 -32.103 441 2HB GLU 58 HB1 GLU 58 6.319 -31.121 -31.121 442 1HG GLU 58 HG2 GLU 58 5.177 -29.827 -29.827 443 2HG GLU 58 HG1 GLU 58 3.713 -30.804 -30.804 444 H GLU 59 H GLU 59 6.416 -30.149 -30.149 445 HA GLU 59 HA GLU 59 8.147 -28.104 -28.104 446 1HB GLU 59 HB2 GLU 59 9.354 -29.439 -29.439 447 2HB GLU 59 HB1 GLU 59 7.962 -29.785 -29.785 448 1HG GLU 59 HG2 GLU 59 9.652 -28.450 -28.450 449 2HG GLU 59 HG1 GLU 59 8.158 -27.517 -27.517 450 H CYS 60 H CYS 60 5.630 -28.200 -28.200 451 HA CYS 60 HA CYS 60 5.990 -25.485 -25.485 452 1HB CYS 60 HB2 CYS 60 4.927 -26.850 -26.850 453 2HB CYS 60 HB1 CYS 60 3.799 -27.500 -27.500 454 HG CYS 60 HG CYS 60 3.557 -24.678 -24.678 455 H LYS 61 H LYS 61 4.319 -27.063 -27.063 456 HA LYS 61 HA LYS 61 2.688 -24.736 -24.736 457 1HB LYS 61 HB2 LYS 61 3.202 -27.206 -27.206 458 2HB LYS 61 HB1 LYS 61 1.921 -26.003 -26.003 459 1HG LYS 61 HG2 LYS 61 1.660 -26.774 -26.774 460 2HG LYS 61 HG1 LYS 61 2.034 -28.285 -28.285 461 1HD LYS 61 HD2 LYS 61 -0.003 -28.328 -28.328 462 2HD LYS 61 HD1 LYS 61 0.077 -26.605 -26.605 463 1HE LYS 61 HE2 LYS 61 -1.579 -26.378 -26.378 464 2HE LYS 61 HE1 LYS 61 -0.265 -26.515 -26.515 465 1HZ LYS 61 HZ1 LYS 61 -1.883 -28.751 -28.751 466 2HZ LYS 61 HZ3 LYS 61 -2.045 -28.044 -28.044 467 3HZ LYS 61 HZ2 LYS 61 -0.666 -28.886 -28.886 468 H ASN 62 H ASN 62 5.562 -26.380 -26.380 469 HA ASN 62 HA ASN 62 6.009 -24.615 -24.615 470 1HB ASN 62 HB2 ASN 62 7.327 -26.782 -26.782 471 2HB ASN 62 HB1 ASN 62 8.383 -25.512 -25.512 472 1HD2 ASN 62 HD2 ASN 62 9.749 -24.509 -24.509 473 2HD2 ASN 62 HD2 ASN 62 9.505 -24.154 -24.154 474 H ILE 63 H ILE 63 6.966 -24.352 -24.352 475 HA ILE 63 HA ILE 63 8.378 -21.878 -21.878 476 HB ILE 63 HB ILE 63 7.621 -23.528 -23.528 477 1HG1 ILE 63 HG1 ILE 63 9.953 -23.815 -23.815 478 2HG1 ILE 63 HG1 ILE 63 10.335 -22.356 -22.356 479 1HG2 ILE 63 HG2 ILE 63 8.692 -20.685 -20.685 480 2HG2 ILE 63 HG2 ILE 63 8.628 -21.862 -21.862 481 3HG2 ILE 63 HG2 ILE 63 7.128 -21.282 -21.282 482 1HD1 ILE 63 HD1 ILE 63 9.107 -24.927 -24.927 483 2HD1 ILE 63 HD1 ILE 63 10.805 -24.409 -24.409 484 3HD1 ILE 63 HD1 ILE 63 9.501 -23.479 -23.479 485 H CYS 64 H CYS 64 5.263 -22.763 -22.763 486 HA CYS 64 HA CYS 64 4.507 -19.953 -19.953 487 1HB CYS 64 HB2 CYS 64 2.754 -22.329 -22.329 488 2HB CYS 64 HB1 CYS 64 2.573 -20.656 -20.656 489 HG CYS 64 HG CYS 64 3.919 -23.112 -23.112 490 H GLU 65 H GLU 65 2.442 -22.698 -22.698 491 HA GLU 65 HA GLU 65 0.812 -21.404 -21.404 492 1HB GLU 65 HB2 GLU 65 2.051 -24.126 -24.126 493 2HB GLU 65 HB1 GLU 65 1.153 -23.558 -23.558 494 1HG GLU 65 HG2 GLU 65 -0.548 -22.862 -22.862 495 2HG GLU 65 HG1 GLU 65 0.186 -24.345 -24.345 496 H ASP 66 H ASP 66 4.259 -22.054 -22.054 497 HA ASP 66 HA ASP 66 5.660 -21.474 -21.474 498 1HB ASP 66 HB2 ASP 66 5.449 -19.197 -19.197 499 2HB ASP 66 HB1 ASP 66 5.155 -19.255 -19.255 500 H GLY 67 H GLY 67 4.263 -23.421 -23.421 501 1HA GLY 67 HA1 GLY 67 3.038 -24.246 -24.246 502 2HA GLY 67 HA2 GLY 67 4.215 -23.265 -23.265 503 HA PRO 68 HA PRO 68 0.176 -21.498 -21.498 504 1HB PRO 68 HB2 PRO 68 0.954 -20.964 -20.964 505 2HB PRO 68 HB1 PRO 68 0.177 -22.470 -22.470 506 1HG PRO 68 HG2 PRO 68 2.973 -21.952 -21.952 507 2HG PRO 68 HG1 PRO 68 2.093 -23.489 -23.489 508 1HD PRO 68 HD2 PRO 68 4.007 -22.432 -22.432 509 2HD PRO 68 HD1 PRO 68 3.040 -23.912 -23.912 510 H ASN 69 H ASN 69 0.067 -19.363 -19.363 511 HA ASN 69 HA ASN 69 1.183 -17.264 -17.264 512 1HB ASN 69 HB2 ASN 69 0.085 -15.749 -15.749 513 2HB ASN 69 HB1 ASN 69 -1.037 -16.943 -16.943 514 1HD2 ASN 69 HD2 ASN 69 -1.957 -17.188 -17.188 515 2HD2 ASN 69 HD2 ASN 69 -2.264 -16.329 -16.329 516 H GLY 70 H GLY 70 2.645 -15.595 -15.595 517 1HA GLY 70 HA1 GLY 70 4.116 -14.672 -14.672 518 2HA GLY 70 HA2 GLY 70 4.234 -16.277 -16.277 519 H PHE 71 H PHE 71 4.738 -17.966 -17.966 520 HA PHE 71 HA PHE 71 7.435 -18.015 -18.015 521 1HB PHE 71 HB2 PHE 71 5.342 -19.427 -19.427 522 2HB PHE 71 HB1 PHE 71 5.742 -18.528 -18.528 523 HD1 PHE 71 HD1 PHE 71 8.483 -18.420 -18.420 524 HD2 PHE 71 HD2 PHE 71 6.314 -21.559 -21.559 525 HE1 PHE 71 HE1 PHE 71 10.301 -20.027 -20.027 526 HE2 PHE 71 HE2 PHE 71 8.138 -23.160 -23.160 527 HZ PHE 71 HZ PHE 71 10.133 -22.397 -22.397 Start of MODEL 25 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.758 0.805 0.805 3 1HB ASP 1 HB2 ASP 1 3.703 0.946 0.946 4 2HB ASP 1 HB1 ASP 1 3.958 -0.777 -0.777 5 H TYR 2 H TYR 2 -0.107 -1.300 -1.300 6 HA TYR 2 HA TYR 2 1.180 -3.784 -3.784 7 1HB TYR 2 HB1 TYR 2 -1.745 -3.147 -3.147 8 2HB TYR 2 HB2 TYR 2 -1.006 -4.691 -4.691 9 HD1 TYR 2 HD1 TYR 2 0.343 -4.674 -4.674 10 HD2 TYR 2 HD2 TYR 2 -3.011 -2.162 -2.162 11 HE1 TYR 2 HE1 TYR 2 -0.195 -4.369 -4.369 12 HE2 TYR 2 HE2 TYR 2 -3.547 -1.859 -1.859 13 HH TYR 2 HH TYR 2 -2.733 -3.635 -3.635 14 H LYS 3 H LYS 3 2.496 -3.349 -3.349 15 HA LYS 3 HA LYS 3 1.175 -3.534 -3.534 16 1HB LYS 3 HB2 LYS 3 1.673 -1.386 -1.386 17 2HB LYS 3 HB1 LYS 3 0.639 -1.175 -1.175 18 1HG LYS 3 HG2 LYS 3 3.135 -0.985 -0.985 19 2HG LYS 3 HG1 LYS 3 3.447 -0.314 -0.314 20 1HD LYS 3 HD2 LYS 3 1.363 0.612 0.612 21 2HD LYS 3 HD1 LYS 3 2.815 1.494 1.494 22 1HE LYS 3 HE2 LYS 3 0.333 0.840 0.840 23 2HE LYS 3 HE1 LYS 3 0.937 2.445 2.445 24 1HZ LYS 3 HZ1 LYS 3 2.307 0.522 0.522 25 2HZ LYS 3 HZ3 LYS 3 1.477 1.889 1.889 26 3HZ LYS 3 HZ2 LYS 3 2.871 2.030 2.030 27 H ASP 4 H ASP 4 2.541 -4.759 -4.759 28 HA ASP 4 HA ASP 4 5.403 -4.126 -4.126 29 1HB ASP 4 HB2 ASP 4 5.036 -5.652 -5.652 30 2HB ASP 4 HB1 ASP 4 4.446 -6.872 -6.872 31 H ASP 5 H ASP 5 6.150 -4.498 -4.498 32 HA ASP 5 HA ASP 5 4.773 -6.565 -6.565 33 1HB ASP 5 HB2 ASP 5 5.367 -4.669 -4.669 34 2HB ASP 5 HB1 ASP 5 3.762 -4.902 -4.902 35 H ASP 6 H ASP 6 6.116 -6.477 -6.477 36 HA ASP 6 HA ASP 6 8.913 -6.985 -6.985 37 1HB ASP 6 HB2 ASP 6 7.408 -8.605 -8.605 38 2HB ASP 6 HB1 ASP 6 7.705 -7.491 -7.491 39 H ASP 7 H ASP 7 8.356 -4.284 -4.284 40 HA ASP 7 HA ASP 7 9.926 -3.378 -3.378 41 1HB ASP 7 HB2 ASP 7 7.319 -2.250 -2.250 42 2HB ASP 7 HB1 ASP 7 8.479 -1.254 -1.254 43 H LYS 8 H LYS 8 10.926 -3.986 -3.986 44 HA LYS 8 HA LYS 8 11.172 -1.317 -1.317 45 1HB LYS 8 HB2 LYS 8 12.167 -3.840 -3.840 46 2HB LYS 8 HB1 LYS 8 11.599 -2.334 -2.334 47 1HG LYS 8 HG2 LYS 8 9.291 -2.898 -2.898 48 2HG LYS 8 HG1 LYS 8 9.951 -4.499 -4.499 49 1HD LYS 8 HD2 LYS 8 8.949 -4.836 -4.836 50 2HD LYS 8 HD1 LYS 8 10.650 -4.555 -4.555 51 1HE LYS 8 HE2 LYS 8 9.335 -2.004 -2.004 52 2HE LYS 8 HE1 LYS 8 8.314 -3.085 -3.085 53 1HZ LYS 8 HZ1 LYS 8 11.197 -2.589 -2.589 54 2HZ LYS 8 HZ3 LYS 8 9.947 -1.956 -1.956 55 3HZ LYS 8 HZ2 LYS 8 10.246 -3.590 -3.590 56 H LEU 9 H LEU 9 12.861 -3.847 -3.847 57 HA LEU 9 HA LEU 9 15.482 -2.743 -2.743 58 1HB LEU 9 HB2 LEU 9 14.467 -5.005 -5.005 59 2HB LEU 9 HB1 LEU 9 16.133 -4.426 -4.426 60 HG LEU 9 HG LEU 9 14.908 -5.323 -5.323 61 1HD1 LEU 9 HD1 LEU 9 16.625 -6.949 -6.949 62 2HD1 LEU 9 HD1 LEU 9 16.179 -7.448 -7.448 63 3HD1 LEU 9 HD1 LEU 9 14.924 -7.239 -7.239 64 1HD2 LEU 9 HD2 LEU 9 16.838 -3.834 -3.834 65 2HD2 LEU 9 HD2 LEU 9 17.275 -5.495 -5.495 66 3HD2 LEU 9 HD2 LEU 9 17.818 -4.852 -4.852 67 H LYS 10 H LYS 10 14.172 -0.611 -0.611 68 HA LYS 10 HA LYS 10 15.446 -0.066 -0.066 69 1HB LYS 10 HB2 LYS 10 12.724 -0.805 -0.805 70 2HB LYS 10 HB1 LYS 10 12.760 0.949 0.949 71 1HG LYS 10 HG2 LYS 10 14.814 0.005 0.005 72 2HG LYS 10 HG1 LYS 10 13.582 -1.265 -1.265 73 1HD LYS 10 HD2 LYS 10 12.485 1.475 1.475 74 2HD LYS 10 HD1 LYS 10 13.643 1.119 1.119 75 1HE LYS 10 HE2 LYS 10 11.306 -0.699 -0.699 76 2HE LYS 10 HE1 LYS 10 11.203 0.566 0.566 77 1HZ LYS 10 HZ1 LYS 10 13.111 -1.691 -1.691 78 2HZ LYS 10 HZ3 LYS 10 11.742 -1.567 -1.567 79 3HZ LYS 10 HZ2 LYS 10 13.012 -0.520 -0.520 80 HA PRO 11 HA PRO 11 15.950 3.767 3.767 81 1HB PRO 11 HB2 PRO 11 16.464 5.385 5.385 82 2HB PRO 11 HB1 PRO 11 17.671 4.336 4.336 83 1HG PRO 11 HG2 PRO 11 16.227 4.002 4.002 84 2HG PRO 11 HG1 PRO 11 17.707 3.213 3.213 85 1HD PRO 11 HD2 PRO 11 15.077 2.091 2.091 86 2HD PRO 11 HD1 PRO 11 16.545 1.356 1.356 87 H ASP 12 H ASP 12 14.160 4.497 4.497 88 HA ASP 12 HA ASP 12 11.738 5.149 5.149 89 1HB ASP 12 HB2 ASP 12 12.290 4.775 4.775 90 2HB ASP 12 HB1 ASP 12 12.670 6.509 6.509 91 H PHE 13 H PHE 13 14.714 6.979 6.979 92 HA PHE 13 HA PHE 13 13.818 9.647 9.647 93 1HB PHE 13 HB2 PHE 13 16.061 10.175 10.175 94 2HB PHE 13 HB1 PHE 13 16.105 8.795 8.795 95 HD1 PHE 13 HD1 PHE 13 16.147 9.472 9.472 96 HD2 PHE 13 HD2 PHE 13 17.575 7.045 7.045 97 HE1 PHE 13 HE1 PHE 13 17.628 8.228 8.228 98 HE2 PHE 13 HE2 PHE 13 19.054 5.806 5.806 99 HZ PHE 13 HZ PHE 13 19.083 6.395 6.395 100 H CYS 14 H CYS 14 14.307 7.007 7.007 101 HA CYS 14 HA CYS 14 14.353 8.651 8.651 102 1HB CYS 14 HB2 CYS 14 13.737 5.767 5.767 103 2HB CYS 14 HB1 CYS 14 13.461 6.458 6.458 104 HG CYS 14 HG CYS 14 16.453 5.957 5.957 105 H PHE 15 H PHE 15 11.713 7.153 7.153 106 HA PHE 15 HA PHE 15 9.578 7.930 7.930 107 1HB PHE 15 HB2 PHE 15 9.319 7.294 7.294 108 2HB PHE 15 HB1 PHE 15 8.128 7.100 7.100 109 HD1 PHE 15 HD1 PHE 15 9.514 5.652 5.652 110 HD2 PHE 15 HD2 PHE 15 9.798 5.154 5.154 111 HE1 PHE 15 HE1 PHE 15 10.186 3.281 3.281 112 HE2 PHE 15 HE2 PHE 15 10.471 2.784 2.784 113 HZ PHE 15 HZ PHE 15 10.667 1.844 1.844 114 H LEU 16 H LEU 16 11.676 9.694 9.694 115 HA LEU 16 HA LEU 16 9.712 11.563 11.563 116 1HB LEU 16 HB2 LEU 16 12.191 10.863 10.863 117 2HB LEU 16 HB1 LEU 16 12.541 12.356 12.356 118 HG LEU 16 HG LEU 16 10.878 13.512 13.512 119 1HD1 LEU 16 HD1 LEU 16 10.890 10.919 10.919 120 2HD1 LEU 16 HD1 LEU 16 10.175 12.460 12.460 121 3HD1 LEU 16 HD1 LEU 16 9.516 11.626 11.626 122 1HD2 LEU 16 HD2 LEU 16 13.270 13.704 13.704 123 2HD2 LEU 16 HD2 LEU 16 12.327 13.664 13.664 124 3HD2 LEU 16 HD2 LEU 16 13.209 12.222 12.222 125 H GLU 17 H GLU 17 8.996 13.465 13.465 126 HA GLU 17 HA GLU 17 9.231 13.818 13.818 127 1HB GLU 17 HB2 GLU 17 8.140 15.386 15.386 128 2HB GLU 17 HB1 GLU 17 8.564 16.332 16.332 129 1HG GLU 17 HG2 GLU 17 7.116 13.810 13.810 130 2HG GLU 17 HG1 GLU 17 6.183 14.974 14.974 131 H GLU 18 H GLU 18 10.285 15.532 15.532 132 HA GLU 18 HA GLU 18 13.019 15.716 15.716 133 1HB GLU 18 HB2 GLU 18 13.154 17.071 17.071 134 2HB GLU 18 HB1 GLU 18 11.594 16.266 16.266 135 1HG GLU 18 HG2 GLU 18 11.714 18.884 18.884 136 2HG GLU 18 HG1 GLU 18 11.808 18.889 18.889 137 H ASP 19 H ASP 19 14.366 17.674 17.674 138 HA ASP 19 HA ASP 19 13.058 19.783 19.783 139 1HB ASP 19 HB2 ASP 19 13.333 18.146 18.146 140 2HB ASP 19 HB1 ASP 19 14.964 17.739 17.739 141 HA PRO 20 HA PRO 20 16.702 21.361 21.361 142 1HB PRO 20 HB2 PRO 20 15.538 23.886 23.886 143 2HB PRO 20 HB1 PRO 20 15.405 22.494 22.494 144 1HG PRO 20 HG2 PRO 20 13.399 23.687 23.687 145 2HG PRO 20 HG1 PRO 20 13.185 22.593 22.593 146 1HD PRO 20 HD2 PRO 20 13.027 21.933 21.933 147 2HD PRO 20 HD1 PRO 20 12.921 20.835 20.835 148 H GLY 21 H GLY 21 16.304 21.238 21.238 149 1HA GLY 21 HA1 GLY 21 16.919 22.378 22.378 150 2HA GLY 21 HA2 GLY 21 18.357 22.749 22.749 151 H ILE 22 H ILE 22 18.443 24.782 24.782 152 HA ILE 22 HA ILE 22 16.299 26.694 26.694 153 HB ILE 22 HB ILE 22 18.734 27.454 27.454 154 1HG1 ILE 22 HG1 ILE 22 16.804 25.318 25.318 155 2HG1 ILE 22 HG1 ILE 22 18.561 25.416 25.416 156 1HG2 ILE 22 HG2 ILE 22 15.764 27.983 27.983 157 2HG2 ILE 22 HG2 ILE 22 17.075 28.635 28.635 158 3HG2 ILE 22 HG2 ILE 22 16.959 29.099 29.099 159 1HD1 ILE 22 HD1 ILE 22 16.469 27.119 27.119 160 2HD1 ILE 22 HD1 ILE 22 17.352 25.729 25.729 161 3HD1 ILE 22 HD1 ILE 22 18.223 27.211 27.211 162 H CYS 23 H CYS 23 19.931 26.759 26.759 163 HA CYS 23 HA CYS 23 20.267 28.970 28.970 164 1HB CYS 23 HB2 CYS 23 22.213 27.704 27.704 165 2HB CYS 23 HB1 CYS 23 22.204 27.946 27.946 166 HG CYS 23 HG CYS 23 21.015 25.211 25.211 167 H ARG 24 H ARG 24 20.810 29.170 29.170 168 HA ARG 24 HA ARG 24 18.774 27.626 27.626 169 1HB ARG 24 HB2 ARG 24 19.023 29.602 29.602 170 2HB ARG 24 HB1 ARG 24 18.158 29.917 29.917 171 1HG ARG 24 HG2 ARG 24 21.112 30.342 30.342 172 2HG ARG 24 HG1 ARG 24 20.189 31.472 31.472 173 1HD ARG 24 HD2 ARG 24 18.656 31.800 31.800 174 2HD ARG 24 HD1 ARG 24 19.885 30.926 30.926 175 HE ARG 24 HE ARG 24 19.998 33.663 33.663 176 1HH1 ARG 24 HH1 ARG 24 21.934 30.824 30.824 177 2HH1 ARG 24 HH1 ARG 24 23.406 31.736 31.736 178 1HH2 ARG 24 HH2 ARG 24 21.939 34.895 34.895 179 2HH2 ARG 24 HH2 ARG 24 23.409 34.061 34.061 180 H GLY 25 H GLY 25 19.496 27.927 27.927 181 1HA GLY 25 HA1 GLY 25 21.935 27.980 27.980 182 2HA GLY 25 HA2 GLY 25 22.085 26.484 26.484 183 H TYR 26 H TYR 26 19.214 25.735 25.735 184 HA TYR 26 HA TYR 26 18.059 24.356 24.356 185 1HB TYR 26 HB1 TYR 26 18.768 26.678 26.678 186 2HB TYR 26 HB2 TYR 26 17.630 25.411 25.411 187 HD1 TYR 26 HD2 TYR 26 17.143 25.745 25.745 188 HD2 TYR 26 HD1 TYR 26 16.419 27.902 27.902 189 HE1 TYR 26 HE2 TYR 26 15.293 26.986 26.986 190 HE2 TYR 26 HE1 TYR 26 14.571 29.142 29.142 191 HH TYR 26 HH TYR 26 12.920 28.442 28.442 192 H ILE 27 H ILE 27 19.370 22.509 22.509 193 HA ILE 27 HA ILE 27 21.223 22.393 22.393 194 HB ILE 27 HB ILE 27 21.552 20.625 20.625 195 1HG1 ILE 27 HG1 ILE 27 23.316 22.655 22.655 196 2HG1 ILE 27 HG1 ILE 27 21.911 23.560 23.560 197 1HG2 ILE 27 HG2 ILE 27 23.498 21.863 21.863 198 2HG2 ILE 27 HG2 ILE 27 23.953 20.779 20.779 199 3HG2 ILE 27 HG2 ILE 27 22.924 20.184 20.184 200 1HD1 ILE 27 HD1 ILE 27 21.868 21.444 21.444 201 2HD1 ILE 27 HD1 ILE 27 21.785 23.211 23.211 202 3HD1 ILE 27 HD1 ILE 27 20.460 22.357 22.357 203 H THR 28 H THR 28 20.865 20.805 20.805 204 HA THR 28 HA THR 28 18.412 19.412 19.412 205 HB THR 28 HB THR 28 20.945 18.650 18.650 206 HG1 THR 28 HG1 THR 28 18.990 20.684 20.684 207 1HG2 THR 28 HG2 THR 28 17.939 18.351 18.351 208 2HG2 THR 28 HG2 THR 28 18.864 18.743 18.743 209 3HG2 THR 28 HG2 THR 28 19.219 17.248 17.248 210 H ARG 29 H ARG 29 18.237 18.475 18.475 211 HA ARG 29 HA ARG 29 19.903 16.021 16.021 212 1HB ARG 29 HB2 ARG 29 18.441 17.608 17.608 213 2HB ARG 29 HB1 ARG 29 19.413 16.147 16.147 214 1HG ARG 29 HG2 ARG 29 20.421 18.809 18.809 215 2HG ARG 29 HG1 ARG 29 20.685 18.203 18.203 216 1HD ARG 29 HD2 ARG 29 21.949 16.275 16.275 217 2HD ARG 29 HD1 ARG 29 21.647 16.854 16.854 218 HE ARG 29 HE ARG 29 23.244 18.538 18.538 219 1HH1 ARG 29 HH1 ARG 29 22.553 16.891 16.891 220 2HH1 ARG 29 HH1 ARG 29 23.912 17.604 17.604 221 1HH2 ARG 29 HH2 ARG 29 25.054 19.498 19.498 222 2HH2 ARG 29 HH2 ARG 29 25.341 19.094 19.094 223 H TYR 30 H TYR 30 18.805 14.067 14.067 224 HA TYR 30 HA TYR 30 15.912 14.195 14.195 225 1HB TYR 30 HB1 TYR 30 17.793 11.787 11.787 226 2HB TYR 30 HB2 TYR 30 16.117 11.782 11.782 227 HD1 TYR 30 HD1 TYR 30 19.349 13.587 13.587 228 HD2 TYR 30 HD2 TYR 30 15.612 11.972 11.972 229 HE1 TYR 30 HE1 TYR 30 20.015 14.139 14.139 230 HE2 TYR 30 HE2 TYR 30 16.280 12.525 12.525 231 HH TYR 30 HH TYR 30 18.133 13.119 13.119 232 H PHE 31 H PHE 31 14.484 12.580 12.580 233 HA PHE 31 HA PHE 31 15.383 11.827 11.827 234 1HB PHE 31 HB2 PHE 31 14.035 13.275 13.275 235 2HB PHE 31 HB1 PHE 31 14.827 14.318 14.318 236 HD1 PHE 31 HD2 PHE 31 13.498 14.731 14.731 237 HD2 PHE 31 HD1 PHE 31 11.684 13.488 13.488 238 HE1 PHE 31 HE2 PHE 31 11.301 15.600 15.600 239 HE2 PHE 31 HE1 PHE 31 9.493 14.359 14.359 240 HZ PHE 31 HZ PHE 31 9.297 15.416 15.416 241 H TYR 32 H TYR 32 14.092 10.173 10.173 242 HA TYR 32 HA TYR 32 12.265 8.994 8.994 243 1HB TYR 32 HB1 TYR 32 13.801 7.725 7.725 244 2HB TYR 32 HB2 TYR 32 12.717 8.200 8.200 245 HD1 TYR 32 HD1 TYR 32 13.018 6.069 6.069 246 HD2 TYR 32 HD2 TYR 32 10.517 7.201 7.201 247 HE1 TYR 32 HE1 TYR 32 11.560 4.109 4.109 248 HE2 TYR 32 HE2 TYR 32 9.060 5.240 5.240 249 HH TYR 32 HH TYR 32 8.950 3.144 3.144 250 H ASN 33 H ASN 33 10.614 10.554 10.554 251 HA ASN 33 HA ASN 33 9.163 11.738 11.738 252 1HB ASN 33 HB2 ASN 33 9.172 12.640 12.640 253 2HB ASN 33 HB1 ASN 33 8.285 11.200 11.200 254 1HD2 ASN 33 HD2 ASN 33 5.571 13.531 13.531 255 2HD2 ASN 33 HD2 ASN 33 6.832 12.958 12.958 256 H ASN 34 H ASN 34 7.896 10.682 10.682 257 HA ASN 34 HA ASN 34 6.991 7.995 7.995 258 1HB ASN 34 HB2 ASN 34 7.236 8.739 8.739 259 2HB ASN 34 HB1 ASN 34 6.253 10.187 10.187 260 1HD2 ASN 34 HD2 ASN 34 3.093 8.538 8.538 261 2HD2 ASN 34 HD2 ASN 34 3.991 9.887 9.887 262 H GLN 35 H GLN 35 5.647 11.209 11.209 263 HA GLN 35 HA GLN 35 2.935 10.408 10.408 264 1HB GLN 35 HB2 GLN 35 4.448 12.795 12.795 265 2HB GLN 35 HB1 GLN 35 3.559 12.526 12.526 266 1HG GLN 35 HG2 GLN 35 1.450 12.361 12.361 267 2HG GLN 35 HG1 GLN 35 2.313 12.459 12.459 268 1HE2 GLN 35 HE2 GLN 35 0.801 15.784 15.784 269 2HE2 GLN 35 HE2 GLN 35 0.185 14.129 14.129 270 H THR 36 H THR 36 5.764 9.859 9.859 271 HA THR 36 HA THR 36 4.008 8.733 8.733 272 HB THR 36 HB THR 36 6.449 10.542 10.542 273 HG1 THR 36 HG1 THR 36 4.838 11.409 11.409 274 1HG2 THR 36 HG2 THR 36 5.386 8.342 8.342 275 2HG2 THR 36 HG2 THR 36 5.752 9.909 9.909 276 3HG2 THR 36 HG2 THR 36 7.040 9.008 9.008 277 H LYS 37 H LYS 37 5.768 7.916 7.916 278 HA LYS 37 HA LYS 37 7.328 6.316 6.316 279 1HB LYS 37 HB2 LYS 37 5.373 4.791 4.791 280 2HB LYS 37 HB1 LYS 37 6.510 4.053 4.053 281 1HG LYS 37 HG2 LYS 37 4.922 4.318 4.318 282 2HG LYS 37 HG1 LYS 37 5.203 6.066 6.066 283 1HD LYS 37 HD2 LYS 37 2.831 5.660 5.660 284 2HD LYS 37 HD1 LYS 37 3.507 6.133 6.133 285 1HE LYS 37 HE2 LYS 37 3.812 3.476 3.476 286 2HE LYS 37 HE1 LYS 37 2.488 3.461 3.461 287 1HZ LYS 37 HZ1 LYS 37 2.473 4.869 4.869 288 2HZ LYS 37 HZ3 LYS 37 1.687 3.436 3.436 289 3HZ LYS 37 HZ2 LYS 37 1.222 4.846 4.846 290 H GLN 38 H GLN 38 8.437 7.930 7.930 291 HA GLN 38 HA GLN 38 10.261 6.058 6.058 292 1HB GLN 38 HB2 GLN 38 8.058 6.708 6.708 293 2HB GLN 38 HB1 GLN 38 9.276 7.883 7.883 294 1HG GLN 38 HG2 GLN 38 10.787 5.611 5.611 295 2HG GLN 38 HG1 GLN 38 9.200 4.912 4.912 296 1HE2 GLN 38 HE2 GLN 38 9.082 5.993 5.993 297 2HE2 GLN 38 HE2 GLN 38 8.316 5.158 5.158 298 H CYS 39 H CYS 39 12.082 7.267 7.267 299 HA CYS 39 HA CYS 39 12.730 9.580 9.580 300 1HB CYS 39 HB2 CYS 39 14.212 8.101 8.101 301 2HB CYS 39 HB1 CYS 39 14.861 9.532 9.532 302 HG CYS 39 HG CYS 39 14.583 6.323 6.323 303 H GLU 40 H GLU 40 12.051 11.596 11.596 304 HA GLU 40 HA GLU 40 11.632 12.213 12.213 305 1HB GLU 40 HB2 GLU 40 10.041 12.741 12.741 306 2HB GLU 40 HB1 GLU 40 10.417 14.243 14.243 307 1HG GLU 40 HG2 GLU 40 9.659 12.051 12.051 308 2HG GLU 40 HG1 GLU 40 8.389 12.409 12.409 309 H ARG 41 H ARG 41 12.337 14.301 14.301 310 HA ARG 41 HA ARG 41 14.834 15.127 15.127 311 1HB ARG 41 HB2 ARG 41 13.532 15.414 15.414 312 2HB ARG 41 HB1 ARG 41 14.151 16.977 16.977 313 1HG ARG 41 HG2 ARG 41 16.333 16.315 16.315 314 2HG ARG 41 HG1 ARG 41 15.990 14.672 14.672 315 1HD ARG 41 HD2 ARG 41 16.737 14.809 14.809 316 2HD ARG 41 HD1 ARG 41 15.169 14.012 14.012 317 HE ARG 41 HE ARG 41 15.670 16.737 16.737 318 1HH1 ARG 41 HH1 ARG 41 13.425 14.133 14.133 319 2HH1 ARG 41 HH1 ARG 41 12.079 14.776 14.776 320 1HH2 ARG 41 HH2 ARG 41 13.899 17.610 17.610 321 2HH2 ARG 41 HH2 ARG 41 12.350 16.761 16.761 322 H PHE 42 H PHE 42 15.244 16.975 16.975 323 HA PHE 42 HA PHE 42 13.220 19.139 19.139 324 1HB PHE 42 HB2 PHE 42 12.508 18.816 18.816 325 2HB PHE 42 HB1 PHE 42 12.670 17.141 17.141 326 HD1 PHE 42 HD2 PHE 42 14.991 15.964 15.964 327 HD2 PHE 42 HD1 PHE 42 13.589 19.526 19.526 328 HE1 PHE 42 HE2 PHE 42 16.537 15.510 15.510 329 HE2 PHE 42 HE1 PHE 42 15.137 19.064 19.064 330 HZ PHE 42 HZ PHE 42 16.612 17.057 17.057 331 H LYS 43 H LYS 43 14.056 20.929 20.929 332 HA LYS 43 HA LYS 43 16.855 21.310 21.310 333 1HB LYS 43 HB2 LYS 43 14.582 22.944 22.944 334 2HB LYS 43 HB1 LYS 43 16.085 23.411 23.411 335 1HG LYS 43 HG2 LYS 43 16.055 24.679 24.679 336 2HG LYS 43 HG1 LYS 43 17.180 23.343 23.343 337 1HD LYS 43 HD2 LYS 43 15.828 23.386 23.386 338 2HD LYS 43 HD1 LYS 43 15.081 22.112 22.112 339 1HE LYS 43 HE2 LYS 43 13.393 23.729 23.729 340 2HE LYS 43 HE1 LYS 43 14.171 25.024 25.024 341 1HZ LYS 43 HZ1 LYS 43 12.961 22.573 22.573 342 2HZ LYS 43 HZ3 LYS 43 12.288 24.101 24.101 343 3HZ LYS 43 HZ2 LYS 43 13.674 23.788 23.788 344 H TYR 44 H TYR 44 17.838 22.722 22.722 345 HA TYR 44 HA TYR 44 17.429 21.215 21.215 346 1HB TYR 44 HB1 TYR 44 18.553 19.406 19.406 347 2HB TYR 44 HB2 TYR 44 19.823 20.485 20.485 348 HD1 TYR 44 HD2 TYR 44 18.495 20.506 20.506 349 HD2 TYR 44 HD1 TYR 44 21.714 19.268 19.268 350 HE1 TYR 44 HE2 TYR 44 19.882 19.944 19.944 351 HE2 TYR 44 HE1 TYR 44 23.099 18.705 18.705 352 HH TYR 44 HH TYR 44 23.249 19.302 19.302 353 H GLY 45 H GLY 45 17.402 23.944 23.944 354 1HA GLY 45 HA1 GLY 45 19.693 25.458 25.458 355 2HA GLY 45 HA2 GLY 45 18.190 25.873 25.873 356 H GLY 46 H GLY 46 18.447 23.183 23.183 357 1HA GLY 46 HA1 GLY 46 19.819 24.249 24.249 358 2HA GLY 46 HA2 GLY 46 19.165 22.610 22.610 359 H CYS 47 H CYS 47 21.639 23.100 23.100 360 HA CYS 47 HA CYS 47 23.526 21.983 21.983 361 1HB CYS 47 HB2 CYS 47 24.468 23.479 23.479 362 2HB CYS 47 HB1 CYS 47 25.310 23.149 23.149 363 HG CYS 47 HG CYS 47 24.634 25.394 25.394 364 H LEU 48 H LEU 48 21.544 21.201 21.201 365 HA LEU 48 HA LEU 48 22.828 18.745 18.745 366 1HB LEU 48 HB2 LEU 48 24.338 20.302 20.302 367 2HB LEU 48 HB1 LEU 48 22.985 20.624 20.624 368 HG LEU 48 HG LEU 48 23.149 18.628 18.628 369 1HD1 LEU 48 HD1 LEU 48 24.351 17.413 17.413 370 2HD1 LEU 48 HD1 LEU 48 24.021 16.524 16.524 371 3HD1 LEU 48 HD1 LEU 48 22.684 17.229 17.229 372 1HD2 LEU 48 HD2 LEU 48 25.313 19.724 19.724 373 2HD2 LEU 48 HD2 LEU 48 25.529 17.952 17.952 374 3HD2 LEU 48 HD2 LEU 48 25.987 18.939 18.939 375 H GLY 49 H GLY 49 20.280 19.706 19.706 376 1HA GLY 49 HA1 GLY 49 18.353 19.837 19.837 377 2HA GLY 49 HA2 GLY 49 18.037 19.376 19.376 378 H ASN 50 H ASN 50 16.550 17.704 17.704 379 HA ASN 50 HA ASN 50 17.115 15.689 15.689 380 1HB ASN 50 HB2 ASN 50 15.389 14.387 14.387 381 2HB ASN 50 HB1 ASN 50 14.891 16.091 16.091 382 1HD2 ASN 50 HD2 ASN 50 14.122 15.066 15.066 383 2HD2 ASN 50 HD2 ASN 50 13.508 15.038 15.038 384 H MET 51 H MET 51 16.909 13.211 13.211 385 HA MET 51 HA MET 51 19.635 12.975 12.975 386 1HB MET 51 HB2 MET 51 17.754 11.233 11.233 387 2HB MET 51 HB1 MET 51 18.692 10.420 10.420 388 1HG MET 51 HG2 MET 51 20.681 11.851 11.851 389 2HG MET 51 HG1 MET 51 19.605 11.709 11.709 390 1HE MET 51 HE1 MET 51 22.024 9.975 9.975 391 2HE MET 51 HE3 MET 51 21.630 8.241 8.241 392 3HE MET 51 HE2 MET 51 20.484 9.349 9.349 393 H ASN 52 H ASN 52 16.219 12.806 12.806 394 HA ASN 52 HA ASN 52 16.552 11.198 11.198 395 1HB ASN 52 HB2 ASN 52 14.379 11.835 11.835 396 2HB ASN 52 HB1 ASN 52 14.352 13.242 13.242 397 1HD2 ASN 52 HD2 ASN 52 12.427 11.331 11.331 398 2HD2 ASN 52 HD2 ASN 52 12.558 12.721 12.721 399 H ASN 53 H ASN 53 18.629 12.724 12.724 400 HA ASN 53 HA ASN 53 17.754 14.612 14.612 401 1HB ASN 53 HB2 ASN 53 18.245 16.249 16.249 402 2HB ASN 53 HB1 ASN 53 19.449 15.230 15.230 403 1HD2 ASN 53 HD2 ASN 53 20.632 16.691 16.691 404 2HD2 ASN 53 HD2 ASN 53 19.109 15.829 15.829 405 H PHE 54 H PHE 54 18.433 13.115 13.115 406 HA PHE 54 HA PHE 54 21.302 12.236 12.236 407 1HB PHE 54 HB2 PHE 54 19.046 11.365 11.365 408 2HB PHE 54 HB1 PHE 54 20.644 10.651 10.651 409 HD1 PHE 54 HD1 PHE 54 17.346 10.982 10.982 410 HD2 PHE 54 HD2 PHE 54 21.263 9.155 9.155 411 HE1 PHE 54 HE1 PHE 54 16.550 9.396 9.396 412 HE2 PHE 54 HE2 PHE 54 20.458 7.572 7.572 413 HZ PHE 54 HZ PHE 54 18.102 7.689 7.689 414 H GLU 55 H GLU 55 22.392 12.233 12.233 415 HA GLU 55 HA GLU 55 21.865 14.869 14.869 416 1HB GLU 55 HB2 GLU 55 24.345 13.138 13.138 417 2HB GLU 55 HB1 GLU 55 24.148 14.833 14.833 418 1HG GLU 55 HG2 GLU 55 23.719 15.376 15.376 419 2HG GLU 55 HG1 GLU 55 24.165 13.702 13.702 420 H THR 56 H THR 56 22.218 11.370 11.370 421 HA THR 56 HA THR 56 21.277 11.884 11.884 422 HB THR 56 HB THR 56 22.476 9.489 9.489 423 HG1 THR 56 HG1 THR 56 23.742 9.052 9.052 424 1HG2 THR 56 HG2 THR 56 23.668 12.268 12.268 425 2HG2 THR 56 HG2 THR 56 24.792 10.896 10.896 426 3HG2 THR 56 HG2 THR 56 23.670 11.179 11.179 427 H LEU 57 H LEU 57 19.806 10.229 10.229 428 HA LEU 57 HA LEU 57 17.776 9.580 9.580 429 1HB LEU 57 HB2 LEU 57 17.503 10.161 10.161 430 2HB LEU 57 HB1 LEU 57 18.067 8.523 8.523 431 HG LEU 57 HG LEU 57 16.143 7.812 7.812 432 1HD1 LEU 57 HD1 LEU 57 15.176 10.569 10.569 433 2HD1 LEU 57 HD1 LEU 57 14.158 9.312 9.312 434 3HD1 LEU 57 HD1 LEU 57 15.510 10.024 10.024 435 1HD2 LEU 57 HD2 LEU 57 16.220 7.224 7.224 436 2HD2 LEU 57 HD2 LEU 57 14.559 7.694 7.694 437 3HD2 LEU 57 HD2 LEU 57 15.591 8.823 8.823 438 H GLU 58 H GLU 58 20.074 7.538 7.538 439 HA GLU 58 HA GLU 58 19.312 5.075 5.075 440 1HB GLU 58 HB2 GLU 58 21.227 5.927 5.927 441 2HB GLU 58 HB1 GLU 58 22.223 5.370 5.370 442 1HG GLU 58 HG2 GLU 58 21.010 3.195 3.195 443 2HG GLU 58 HG1 GLU 58 20.037 3.769 3.769 444 H GLU 59 H GLU 59 21.212 7.708 7.708 445 HA GLU 59 HA GLU 59 22.362 6.125 6.125 446 1HB GLU 59 HB2 GLU 59 23.485 8.156 8.156 447 2HB GLU 59 HB1 GLU 59 21.993 9.107 9.107 448 1HG GLU 59 HG2 GLU 59 22.413 9.459 9.459 449 2HG GLU 59 HG1 GLU 59 22.437 7.708 7.708 450 H CYS 60 H CYS 60 19.506 8.323 8.323 451 HA CYS 60 HA CYS 60 18.715 7.935 7.935 452 1HB CYS 60 HB2 CYS 60 18.005 9.878 9.878 453 2HB CYS 60 HB1 CYS 60 17.238 8.901 8.901 454 HG CYS 60 HG CYS 60 15.532 7.796 7.796 455 H LYS 61 H LYS 61 18.280 6.130 6.130 456 HA LYS 61 HA LYS 61 16.079 4.559 4.559 457 1HB LYS 61 HB2 LYS 61 17.800 4.090 4.090 458 2HB LYS 61 HB1 LYS 61 16.258 3.296 3.296 459 1HG LYS 61 HG2 LYS 61 15.759 6.070 6.070 460 2HG LYS 61 HG1 LYS 61 16.772 5.899 5.899 461 1HD LYS 61 HD2 LYS 61 15.079 4.950 4.950 462 2HD LYS 61 HD1 LYS 61 14.687 3.839 3.839 463 1HE LYS 61 HE2 LYS 61 12.757 5.078 5.078 464 2HE LYS 61 HE1 LYS 61 13.762 6.190 6.190 465 1HZ LYS 61 HZ1 LYS 61 13.314 6.323 6.323 466 2HZ LYS 61 HZ3 LYS 61 12.607 7.306 7.306 467 3HZ LYS 61 HZ2 LYS 61 14.244 7.378 7.378 468 H ASN 62 H ASN 62 19.592 4.010 4.010 469 HA ASN 62 HA ASN 62 19.780 1.359 1.359 470 1HB ASN 62 HB2 ASN 62 21.597 3.025 3.025 471 2HB ASN 62 HB1 ASN 62 21.882 3.407 3.407 472 1HD2 ASN 62 HD2 ASN 62 23.288 -0.003 -0.003 473 2HD2 ASN 62 HD2 ASN 62 22.410 1.274 1.274 474 H ILE 63 H ILE 63 19.916 4.429 4.429 475 HA ILE 63 HA ILE 63 20.293 2.992 2.992 476 HB ILE 63 HB ILE 63 19.918 5.804 5.804 477 1HG1 ILE 63 HG1 ILE 63 22.005 5.817 5.817 478 2HG1 ILE 63 HG1 ILE 63 22.032 4.106 4.106 479 1HG2 ILE 63 HG2 ILE 63 19.677 4.856 4.856 480 2HG2 ILE 63 HG2 ILE 63 19.895 6.553 6.553 481 3HG2 ILE 63 HG2 ILE 63 18.426 5.666 5.666 482 1HD1 ILE 63 HD1 ILE 63 22.077 6.492 6.492 483 2HD1 ILE 63 HD1 ILE 63 23.475 5.472 5.472 484 3HD1 ILE 63 HD1 ILE 63 22.122 4.785 4.785 485 H CYS 64 H CYS 64 17.574 4.892 4.892 486 HA CYS 64 HA CYS 64 15.753 3.928 3.928 487 1HB CYS 64 HB2 CYS 64 15.065 5.360 5.360 488 2HB CYS 64 HB1 CYS 64 14.081 5.226 5.226 489 HG CYS 64 HG CYS 64 14.923 7.503 7.503 490 H GLU 65 H GLU 65 14.914 3.947 3.947 491 HA GLU 65 HA GLU 65 13.307 1.840 1.840 492 1HB GLU 65 HB2 GLU 65 15.458 2.747 2.747 493 2HB GLU 65 HB1 GLU 65 14.604 1.234 1.234 494 1HG GLU 65 HG2 GLU 65 12.507 2.882 2.882 495 2HG GLU 65 HG1 GLU 65 13.641 4.052 4.052 496 H ASP 66 H ASP 66 16.848 1.612 1.612 497 HA ASP 66 HA ASP 66 18.177 -0.139 -0.139 498 1HB ASP 66 HB2 ASP 66 17.364 -1.622 -1.622 499 2HB ASP 66 HB1 ASP 66 16.173 -0.311 -0.311 500 H GLY 67 H GLY 67 18.299 -2.766 -2.766 501 1HA GLY 67 HA1 GLY 67 18.295 -3.276 -3.276 502 2HA GLY 67 HA2 GLY 67 18.549 -4.472 -4.472 503 HA PRO 68 HA PRO 68 14.528 -5.571 -5.571 504 1HB PRO 68 HB2 PRO 68 14.978 -8.347 -8.347 505 2HB PRO 68 HB1 PRO 68 15.398 -7.405 -7.405 506 1HG PRO 68 HG2 PRO 68 17.135 -8.526 -8.526 507 2HG PRO 68 HG1 PRO 68 17.539 -7.960 -7.960 508 1HD PRO 68 HD2 PRO 68 18.023 -6.608 -6.608 509 2HD PRO 68 HD1 PRO 68 18.323 -6.014 -6.014 510 H ASN 69 H ASN 69 14.231 -4.453 -4.453 511 HA ASN 69 HA ASN 69 13.050 -4.493 -4.493 512 1HB ASN 69 HB2 ASN 69 11.517 -5.984 -5.984 513 2HB ASN 69 HB1 ASN 69 12.169 -7.334 -7.334 514 1HD2 ASN 69 HD2 ASN 69 9.819 -4.391 -4.391 515 2HD2 ASN 69 HD2 ASN 69 10.817 -4.052 -4.052 516 H GLY 70 H GLY 70 13.353 -5.095 -5.095 517 1HA GLY 70 HA1 GLY 70 14.277 -6.251 -6.251 518 2HA GLY 70 HA2 GLY 70 14.708 -7.582 -7.582 519 H PHE 71 H PHE 71 15.557 -4.093 -4.093 520 HA PHE 71 HA PHE 71 18.130 -4.082 -4.082 521 1HB PHE 71 HB2 PHE 71 16.701 -2.163 -2.163 522 2HB PHE 71 HB1 PHE 71 17.370 -2.591 -2.591 523 HD1 PHE 71 HD1 PHE 71 20.160 -3.089 -3.089 524 HD2 PHE 71 HD2 PHE 71 17.732 -0.257 -0.257 525 HE1 PHE 71 HE1 PHE 71 22.171 -1.700 -1.700 526 HE2 PHE 71 HE2 PHE 71 19.750 1.127 1.127 527 HZ PHE 71 HZ PHE 71 21.971 0.408 0.408 Start of MODEL 26 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.702 -0.748 -0.748 3 1HB ASP 1 HB2 ASP 1 2.975 1.917 1.917 4 2HB ASP 1 HB1 ASP 1 2.211 1.220 1.220 5 H TYR 2 H TYR 2 3.807 1.334 1.334 6 HA TYR 2 HA TYR 2 5.908 0.808 0.808 7 1HB TYR 2 HB1 TYR 2 5.957 -1.834 -1.834 8 2HB TYR 2 HB2 TYR 2 6.694 -1.409 -1.409 9 HD1 TYR 2 HD1 TYR 2 4.664 -0.425 -0.425 10 HD2 TYR 2 HD2 TYR 2 4.324 -3.500 -3.500 11 HE1 TYR 2 HE1 TYR 2 2.763 -1.428 -1.428 12 HE2 TYR 2 HE2 TYR 2 2.421 -4.503 -4.503 13 HH TYR 2 HH TYR 2 0.879 -2.948 -2.948 14 H LYS 3 H LYS 3 5.178 2.079 2.079 15 HA LYS 3 HA LYS 3 7.885 1.984 1.984 16 1HB LYS 3 HB2 LYS 3 6.753 1.862 1.862 17 2HB LYS 3 HB1 LYS 3 7.162 0.391 0.391 18 1HG LYS 3 HG2 LYS 3 4.975 -0.186 -0.186 19 2HG LYS 3 HG1 LYS 3 4.502 1.467 1.467 20 1HD LYS 3 HD2 LYS 3 5.141 0.612 0.612 21 2HD LYS 3 HD1 LYS 3 3.504 0.542 0.542 22 1HE LYS 3 HE2 LYS 3 3.666 3.000 3.000 23 2HE LYS 3 HE1 LYS 3 5.258 3.025 3.025 24 1HZ LYS 3 HZ1 LYS 3 2.711 2.251 2.251 25 2HZ LYS 3 HZ3 LYS 3 3.514 3.702 3.702 26 3HZ LYS 3 HZ2 LYS 3 4.195 2.287 2.287 27 H ASP 4 H ASP 4 7.832 3.685 3.685 28 HA ASP 4 HA ASP 4 7.238 6.208 6.208 29 1HB ASP 4 HB2 ASP 4 8.760 5.363 5.363 30 2HB ASP 4 HB1 ASP 4 7.355 6.009 6.009 31 H ASP 5 H ASP 5 6.102 7.684 7.684 32 HA ASP 5 HA ASP 5 3.303 6.625 6.625 33 1HB ASP 5 HB2 ASP 5 2.516 8.862 8.862 34 2HB ASP 5 HB1 ASP 5 3.749 8.728 8.728 35 H ASP 6 H ASP 6 1.954 7.618 7.618 36 HA ASP 6 HA ASP 6 3.648 7.848 7.848 37 1HB ASP 6 HB2 ASP 6 1.182 6.173 6.173 38 2HB ASP 6 HB1 ASP 6 1.636 6.686 6.686 39 H ASP 7 H ASP 7 2.820 10.099 10.099 40 HA ASP 7 HA ASP 7 1.137 11.374 11.374 41 1HB ASP 7 HB2 ASP 7 -0.727 11.934 11.934 42 2HB ASP 7 HB1 ASP 7 -0.512 10.187 10.187 43 H LYS 8 H LYS 8 0.333 13.623 13.623 44 HA LYS 8 HA LYS 8 1.105 15.375 15.375 45 1HB LYS 8 HB2 LYS 8 2.626 13.597 13.597 46 2HB LYS 8 HB1 LYS 8 3.904 14.287 14.287 47 1HG LYS 8 HG2 LYS 8 2.849 16.578 16.578 48 2HG LYS 8 HG1 LYS 8 2.392 15.496 15.496 49 1HD LYS 8 HD2 LYS 8 4.484 15.950 15.950 50 2HD LYS 8 HD1 LYS 8 5.011 14.766 14.766 51 1HE LYS 8 HE2 LYS 8 5.352 16.609 16.609 52 2HE LYS 8 HE1 LYS 8 4.807 17.784 17.784 53 1HZ LYS 8 HZ1 LYS 8 7.156 16.005 16.005 54 2HZ LYS 8 HZ3 LYS 8 7.190 17.638 17.638 55 3HZ LYS 8 HZ2 LYS 8 6.664 17.114 17.114 56 H LEU 9 H LEU 9 1.105 14.814 14.814 57 HA LEU 9 HA LEU 9 1.781 15.757 15.757 58 1HB LEU 9 HB2 LEU 9 1.107 17.716 17.716 59 2HB LEU 9 HB1 LEU 9 2.790 18.186 18.186 60 HG LEU 9 HG LEU 9 0.615 17.754 17.754 61 1HD1 LEU 9 HD1 LEU 9 1.873 20.344 20.344 62 2HD1 LEU 9 HD1 LEU 9 0.741 20.212 20.212 63 3HD1 LEU 9 HD1 LEU 9 0.206 19.798 19.798 64 1HD2 LEU 9 HD2 LEU 9 2.812 17.177 17.177 65 2HD2 LEU 9 HD2 LEU 9 2.231 18.705 18.705 66 3HD2 LEU 9 HD2 LEU 9 3.480 18.730 18.730 67 H LYS 10 H LYS 10 3.652 14.007 14.007 68 HA LYS 10 HA LYS 10 6.178 15.266 15.266 69 1HB LYS 10 HB2 LYS 10 5.580 14.288 14.288 70 2HB LYS 10 HB1 LYS 10 6.701 13.125 13.125 71 1HG LYS 10 HG2 LYS 10 7.815 15.535 15.535 72 2HG LYS 10 HG1 LYS 10 7.130 15.940 15.940 73 1HD LYS 10 HD2 LYS 10 8.448 13.356 13.356 74 2HD LYS 10 HD1 LYS 10 9.557 14.561 14.561 75 1HE LYS 10 HE2 LYS 10 9.398 15.948 15.948 76 2HE LYS 10 HE1 LYS 10 7.948 15.105 15.105 77 1HZ LYS 10 HZ1 LYS 10 10.661 13.948 13.948 78 2HZ LYS 10 HZ3 LYS 10 9.909 14.458 14.458 79 3HZ LYS 10 HZ2 LYS 10 9.313 13.156 13.156 80 HA PRO 11 HA PRO 11 6.430 11.899 11.899 81 1HB PRO 11 HB2 PRO 11 9.238 11.691 11.691 82 2HB PRO 11 HB1 PRO 11 8.256 12.903 12.903 83 1HG PRO 11 HG2 PRO 11 10.053 13.208 13.208 84 2HG PRO 11 HG1 PRO 11 9.403 14.434 14.434 85 1HD PRO 11 HD2 PRO 11 8.560 13.890 13.890 86 2HD PRO 11 HD1 PRO 11 7.853 15.037 15.037 87 H ASP 12 H ASP 12 5.664 10.018 10.018 88 HA ASP 12 HA ASP 12 6.768 8.633 8.633 89 1HB ASP 12 HB2 ASP 12 5.064 7.762 7.762 90 2HB ASP 12 HB1 ASP 12 5.532 6.655 6.655 91 H PHE 13 H PHE 13 7.497 8.642 8.642 92 HA PHE 13 HA PHE 13 8.920 6.205 6.205 93 1HB PHE 13 HB2 PHE 13 9.868 7.169 7.169 94 2HB PHE 13 HB1 PHE 13 8.265 7.870 7.870 95 HD1 PHE 13 HD1 PHE 13 11.825 8.655 8.655 96 HD2 PHE 13 HD2 PHE 13 7.981 10.173 10.173 97 HE1 PHE 13 HE1 PHE 13 12.763 10.952 10.952 98 HE2 PHE 13 HE2 PHE 13 8.928 12.469 12.469 99 HZ PHE 13 HZ PHE 13 11.319 12.862 12.862 100 H CYS 14 H CYS 14 9.756 9.249 9.249 101 HA CYS 14 HA CYS 14 12.560 8.814 8.814 102 1HB CYS 14 HB2 CYS 14 10.610 10.462 10.462 103 2HB CYS 14 HB1 CYS 14 12.276 10.293 10.293 104 HG CYS 14 HG CYS 14 11.155 11.859 11.859 105 H PHE 15 H PHE 15 9.836 7.808 7.808 106 HA PHE 15 HA PHE 15 11.575 6.562 6.562 107 1HB PHE 15 HB2 PHE 15 8.639 6.030 6.030 108 2HB PHE 15 HB1 PHE 15 9.582 5.987 5.987 109 HD1 PHE 15 HD1 PHE 15 10.954 8.507 8.507 110 HD2 PHE 15 HD2 PHE 15 7.020 7.729 7.729 111 HE1 PHE 15 HE1 PHE 15 10.265 10.830 10.830 112 HE2 PHE 15 HE2 PHE 15 6.339 10.056 10.056 113 HZ PHE 15 HZ PHE 15 7.960 11.608 11.608 114 H LEU 16 H LEU 16 10.811 5.818 5.818 115 HA LEU 16 HA LEU 16 10.325 3.001 3.001 116 1HB LEU 16 HB2 LEU 16 10.001 4.822 4.822 117 2HB LEU 16 HB1 LEU 16 11.404 3.897 3.897 118 HG LEU 16 HG LEU 16 9.359 3.036 3.036 119 1HD1 LEU 16 HD1 LEU 16 10.548 1.152 1.152 120 2HD1 LEU 16 HD1 LEU 16 9.543 0.650 0.650 121 3HD1 LEU 16 HD1 LEU 16 11.124 1.410 1.410 122 1HD2 LEU 16 HD2 LEU 16 7.760 3.740 3.740 123 2HD2 LEU 16 HD2 LEU 16 7.603 1.987 1.987 124 3HD2 LEU 16 HD2 LEU 16 8.445 2.579 2.579 125 H GLU 17 H GLU 17 11.799 1.549 1.549 126 HA GLU 17 HA GLU 17 14.389 1.946 1.946 127 1HB GLU 17 HB2 GLU 17 14.705 -0.363 -0.363 128 2HB GLU 17 HB1 GLU 17 12.937 -0.225 -0.225 129 1HG GLU 17 HG2 GLU 17 12.815 -0.589 -0.589 130 2HG GLU 17 HG1 GLU 17 14.584 -0.711 -0.711 131 H GLU 18 H GLU 18 16.491 1.579 1.579 132 HA GLU 18 HA GLU 18 16.690 2.842 2.842 133 1HB GLU 18 HB2 GLU 18 18.985 2.666 2.666 134 2HB GLU 18 HB1 GLU 18 18.457 2.498 2.498 135 1HG GLU 18 HG2 GLU 18 18.352 -0.104 -0.104 136 2HG GLU 18 HG1 GLU 18 19.627 0.477 0.477 137 H ASP 19 H ASP 19 17.166 2.038 2.038 138 HA ASP 19 HA ASP 19 17.150 -0.889 -0.889 139 1HB ASP 19 HB2 ASP 19 14.747 0.212 0.212 140 2HB ASP 19 HB1 ASP 19 15.292 0.806 0.806 141 HA PRO 20 HA PRO 20 19.949 1.050 1.050 142 1HB PRO 20 HB2 PRO 20 21.642 -1.208 -1.208 143 2HB PRO 20 HB1 PRO 20 21.818 0.105 0.105 144 1HG PRO 20 HG2 PRO 20 20.819 -2.638 -2.638 145 2HG PRO 20 HG1 PRO 20 21.392 -1.466 -1.466 146 1HD PRO 20 HD2 PRO 20 18.681 -2.196 -2.196 147 2HD PRO 20 HD1 PRO 20 19.267 -0.953 -0.953 148 H GLY 21 H GLY 21 18.209 -1.999 -1.999 149 1HA GLY 21 HA1 GLY 21 16.896 -2.404 -2.404 150 2HA GLY 21 HA2 GLY 21 18.223 -1.731 -1.731 151 H ILE 22 H ILE 22 17.916 -3.894 -3.894 152 HA ILE 22 HA ILE 22 18.965 -6.185 -6.185 153 HB ILE 22 HB ILE 22 18.416 -6.323 -6.323 154 1HG1 ILE 22 HG1 ILE 22 16.371 -5.625 -5.625 155 2HG1 ILE 22 HG1 ILE 22 16.526 -5.045 -5.045 156 1HG2 ILE 22 HG2 ILE 22 17.771 -8.135 -8.135 157 2HG2 ILE 22 HG2 ILE 22 17.395 -8.498 -8.498 158 3HG2 ILE 22 HG2 ILE 22 19.082 -8.345 -8.345 159 1HD1 ILE 22 HD1 ILE 22 15.645 -7.852 -7.852 160 2HD1 ILE 22 HD1 ILE 22 14.576 -6.551 -6.551 161 3HD1 ILE 22 HD1 ILE 22 15.781 -7.277 -7.277 162 H CYS 23 H CYS 23 19.809 -4.185 -4.185 163 HA CYS 23 HA CYS 23 22.180 -5.464 -5.464 164 1HB CYS 23 HB2 CYS 23 21.332 -2.583 -2.583 165 2HB CYS 23 HB1 CYS 23 22.906 -3.135 -3.135 166 HG CYS 23 HG CYS 23 21.904 -3.617 -3.617 167 H ARG 24 H ARG 24 24.402 -3.916 -3.916 168 HA ARG 24 HA ARG 24 24.888 -3.941 -3.941 169 1HB ARG 24 HB2 ARG 24 27.343 -3.557 -3.557 170 2HB ARG 24 HB1 ARG 24 26.720 -5.100 -5.100 171 1HG ARG 24 HG2 ARG 24 25.628 -5.477 -5.477 172 2HG ARG 24 HG1 ARG 24 26.389 -3.984 -3.984 173 1HD ARG 24 HD2 ARG 24 28.614 -5.152 -5.152 174 2HD ARG 24 HD1 ARG 24 27.652 -6.637 -6.637 175 HE ARG 24 HE ARG 24 28.750 -5.006 -5.006 176 1HH1 ARG 24 HH1 ARG 24 26.099 -7.171 -7.171 177 2HH1 ARG 24 HH1 ARG 24 25.757 -7.695 -7.695 178 1HH2 ARG 24 HH2 ARG 24 28.314 -5.686 -5.686 179 2HH2 ARG 24 HH2 ARG 24 27.022 -6.847 -6.847 180 H GLY 25 H GLY 25 26.302 -2.120 -2.120 181 1HA GLY 25 HA1 GLY 25 27.279 0.066 0.066 182 2HA GLY 25 HA2 GLY 25 25.553 0.357 0.357 183 H TYR 26 H TYR 26 28.166 0.259 0.259 184 HA TYR 26 HA TYR 26 26.225 1.086 1.086 185 1HB TYR 26 HB1 TYR 26 29.178 0.324 0.324 186 2HB TYR 26 HB2 TYR 26 28.328 0.970 0.970 187 HD1 TYR 26 HD2 TYR 26 25.676 -0.655 -0.655 188 HD2 TYR 26 HD1 TYR 26 29.636 -1.659 -1.659 189 HE1 TYR 26 HE2 TYR 26 24.881 -2.922 -2.922 190 HE2 TYR 26 HE1 TYR 26 28.840 -3.924 -3.924 191 HH TYR 26 HH TYR 26 27.071 -5.454 -5.454 192 H ILE 27 H ILE 27 26.286 3.108 3.108 193 HA ILE 27 HA ILE 27 28.274 5.045 5.045 194 HB ILE 27 HB ILE 27 25.450 5.829 5.829 195 1HG1 ILE 27 HG1 ILE 27 27.185 4.461 4.461 196 2HG1 ILE 27 HG1 ILE 27 25.783 3.734 3.734 197 1HG2 ILE 27 HG2 ILE 27 28.095 6.734 6.734 198 2HG2 ILE 27 HG2 ILE 27 26.490 7.386 7.386 199 3HG2 ILE 27 HG2 ILE 27 27.126 7.597 7.597 200 1HD1 ILE 27 HD1 ILE 27 25.735 6.242 6.242 201 2HD1 ILE 27 HD1 ILE 27 25.178 4.616 4.616 202 3HD1 ILE 27 HD1 ILE 27 24.323 5.512 5.512 203 H THR 28 H THR 28 28.768 6.373 6.373 204 HA THR 28 HA THR 28 27.626 5.979 5.979 205 HB THR 28 HB THR 28 29.179 8.455 8.455 206 HG1 THR 28 HG1 THR 28 30.919 7.013 7.013 207 1HG2 THR 28 HG2 THR 28 28.587 7.018 7.018 208 2HG2 THR 28 HG2 THR 28 30.235 7.631 7.631 209 3HG2 THR 28 HG2 THR 28 28.867 8.761 8.761 210 H ARG 29 H ARG 29 25.305 6.045 6.045 211 HA ARG 29 HA ARG 29 24.264 8.803 8.803 212 1HB ARG 29 HB2 ARG 29 22.861 6.106 6.106 213 2HB ARG 29 HB1 ARG 29 22.075 7.684 7.684 214 1HG ARG 29 HG2 ARG 29 24.465 6.760 6.760 215 2HG ARG 29 HG1 ARG 29 22.782 6.514 6.514 216 1HD ARG 29 HD2 ARG 29 23.019 9.256 9.256 217 2HD ARG 29 HD1 ARG 29 24.444 8.885 8.885 218 HE ARG 29 HE ARG 29 21.616 8.927 8.927 219 1HH1 ARG 29 HH1 ARG 29 24.906 7.855 7.855 220 2HH1 ARG 29 HH1 ARG 29 24.621 7.658 7.658 221 1HH2 ARG 29 HH2 ARG 29 21.214 8.673 8.673 222 2HH2 ARG 29 HH2 ARG 29 22.512 8.125 8.125 223 H TYR 30 H TYR 30 22.213 9.297 9.297 224 HA TYR 30 HA TYR 30 22.565 8.020 8.020 225 1HB TYR 30 HB1 TYR 30 21.848 10.917 10.917 226 2HB TYR 30 HB2 TYR 30 21.864 10.233 10.233 227 HD1 TYR 30 HD1 TYR 30 24.176 10.734 10.734 228 HD2 TYR 30 HD2 TYR 30 23.780 10.357 10.357 229 HE1 TYR 30 HE1 TYR 30 26.577 11.286 11.286 230 HE2 TYR 30 HE2 TYR 30 26.183 10.910 10.910 231 HH TYR 30 HH TYR 30 28.375 11.372 11.372 232 H PHE 31 H PHE 31 20.574 8.040 8.040 233 HA PHE 31 HA PHE 31 17.987 8.310 8.310 234 1HB PHE 31 HB2 PHE 31 17.372 6.080 6.080 235 2HB PHE 31 HB1 PHE 31 19.026 6.027 6.027 236 HD1 PHE 31 HD2 PHE 31 20.930 5.518 5.518 237 HD2 PHE 31 HD1 PHE 31 16.747 4.773 4.773 238 HE1 PHE 31 HE2 PHE 31 21.555 3.909 3.909 239 HE2 PHE 31 HE1 PHE 31 17.380 3.168 3.168 240 HZ PHE 31 HZ PHE 31 19.783 2.732 2.732 241 H TYR 32 H TYR 32 16.225 8.444 8.444 242 HA TYR 32 HA TYR 32 17.103 9.102 9.102 243 1HB TYR 32 HB1 TYR 32 15.290 10.316 10.316 244 2HB TYR 32 HB2 TYR 32 14.238 8.972 8.972 245 HD1 TYR 32 HD1 TYR 32 15.979 11.954 11.954 246 HD2 TYR 32 HD2 TYR 32 13.371 8.627 8.627 247 HE1 TYR 32 HE1 TYR 32 15.353 13.028 13.028 248 HE2 TYR 32 HE2 TYR 32 12.746 9.703 9.703 249 HH TYR 32 HH TYR 32 12.750 11.857 11.857 250 H ASN 33 H ASN 33 17.558 7.480 7.480 251 HA ASN 33 HA ASN 33 15.975 4.976 4.976 252 1HB ASN 33 HB2 ASN 33 18.505 4.905 4.905 253 2HB ASN 33 HB1 ASN 33 18.379 5.651 5.651 254 1HD2 ASN 33 HD2 ASN 33 18.715 2.101 2.101 255 2HD2 ASN 33 HD2 ASN 33 19.660 3.500 3.500 256 H ASN 34 H ASN 34 14.278 4.632 4.632 257 HA ASN 34 HA ASN 34 13.564 6.527 6.527 258 1HB ASN 34 HB2 ASN 34 11.790 5.258 5.258 259 2HB ASN 34 HB1 ASN 34 12.615 3.719 3.719 260 1HD2 ASN 34 HD2 ASN 34 10.630 5.797 5.797 261 2HD2 ASN 34 HD2 ASN 34 11.251 6.605 6.605 262 H GLN 35 H GLN 35 15.563 3.628 3.628 263 HA GLN 35 HA GLN 35 15.395 2.761 2.761 264 1HB GLN 35 HB2 GLN 35 16.891 2.013 2.013 265 2HB GLN 35 HB1 GLN 35 18.128 2.914 2.914 266 1HG GLN 35 HG2 GLN 35 18.198 1.367 1.367 267 2HG GLN 35 HG1 GLN 35 16.453 1.055 1.055 268 1HE2 GLN 35 HE2 GLN 35 16.662 -1.778 -1.778 269 2HE2 GLN 35 HE2 GLN 35 15.685 -0.631 -0.631 270 H THR 36 H THR 36 17.021 5.623 5.623 271 HA THR 36 HA THR 36 17.655 6.462 6.462 272 HB THR 36 HB THR 36 19.795 7.408 7.408 273 HG1 THR 36 HG1 THR 36 20.140 7.399 7.399 274 1HG2 THR 36 HG2 THR 36 19.090 4.578 4.578 275 2HG2 THR 36 HG2 THR 36 20.582 5.281 5.281 276 3HG2 THR 36 HG2 THR 36 20.388 5.117 5.117 277 H LYS 37 H LYS 37 15.458 6.864 6.864 278 HA LYS 37 HA LYS 37 14.316 8.594 8.594 279 1HB LYS 37 HB2 LYS 37 14.695 9.282 9.282 280 2HB LYS 37 HB1 LYS 37 13.861 10.439 10.439 281 1HG LYS 37 HG2 LYS 37 11.984 9.191 9.191 282 2HG LYS 37 HG1 LYS 37 12.859 7.795 7.795 283 1HD LYS 37 HD2 LYS 37 12.519 8.607 8.607 284 2HD LYS 37 HD1 LYS 37 11.958 7.119 7.119 285 1HE LYS 37 HE2 LYS 37 14.606 6.907 6.907 286 2HE LYS 37 HE1 LYS 37 14.695 7.884 7.884 287 1HZ LYS 37 HZ1 LYS 37 13.261 5.316 5.316 288 2HZ LYS 37 HZ3 LYS 37 14.731 5.541 5.541 289 3HZ LYS 37 HZ2 LYS 37 13.352 6.216 6.216 290 H GLN 38 H GLN 38 16.844 8.694 8.694 291 HA GLN 38 HA GLN 38 17.155 11.554 11.554 292 1HB GLN 38 HB2 GLN 38 18.717 10.497 10.497 293 2HB GLN 38 HB1 GLN 38 19.778 10.337 10.337 294 1HG GLN 38 HG2 GLN 38 19.841 12.653 12.653 295 2HG GLN 38 HG1 GLN 38 18.303 12.928 12.928 296 1HE2 GLN 38 HE2 GLN 38 21.735 12.157 12.157 297 2HE2 GLN 38 HE2 GLN 38 21.426 11.342 11.342 298 H CYS 39 H CYS 39 19.782 11.319 11.319 299 HA CYS 39 HA CYS 39 19.001 9.581 9.581 300 1HB CYS 39 HB2 CYS 39 20.615 12.127 12.127 301 2HB CYS 39 HB1 CYS 39 20.539 11.072 11.072 302 HG CYS 39 HG CYS 39 18.124 13.144 13.144 303 H GLU 40 H GLU 40 20.229 7.811 7.811 304 HA GLU 40 HA GLU 40 22.956 7.820 7.820 305 1HB GLU 40 HB2 GLU 40 20.828 5.705 5.705 306 2HB GLU 40 HB1 GLU 40 22.525 5.196 5.196 307 1HG GLU 40 HG2 GLU 40 22.522 5.306 5.306 308 2HG GLU 40 HG1 GLU 40 22.525 7.070 7.070 309 H ARG 41 H ARG 41 24.676 6.922 6.922 310 HA ARG 41 HA ARG 41 24.326 7.251 7.251 311 1HB ARG 41 HB2 ARG 41 26.537 6.878 6.878 312 2HB ARG 41 HB1 ARG 41 26.750 5.878 5.878 313 1HG ARG 41 HG2 ARG 41 26.968 7.712 7.712 314 2HG ARG 41 HG1 ARG 41 25.868 8.709 8.709 315 1HD ARG 41 HD2 ARG 41 27.649 9.680 9.680 316 2HD ARG 41 HD1 ARG 41 28.192 8.095 8.095 317 HE ARG 41 HE ARG 41 28.982 8.090 8.090 318 1HH1 ARG 41 HH1 ARG 41 29.415 10.349 10.349 319 2HH1 ARG 41 HH1 ARG 41 30.972 10.966 10.966 320 1HH2 ARG 41 HH2 ARG 41 31.047 8.893 8.893 321 2HH2 ARG 41 HH2 ARG 41 31.904 10.135 10.135 322 H PHE 42 H PHE 42 24.519 5.651 5.651 323 HA PHE 42 HA PHE 42 24.694 2.800 2.800 324 1HB PHE 42 HB2 PHE 42 22.527 2.134 2.134 325 2HB PHE 42 HB1 PHE 42 22.305 3.681 3.681 326 HD1 PHE 42 HD2 PHE 42 21.916 5.780 5.780 327 HD2 PHE 42 HD1 PHE 42 21.172 1.657 1.657 328 HE1 PHE 42 HE2 PHE 42 20.348 6.520 6.520 329 HE2 PHE 42 HE1 PHE 42 19.607 2.405 2.405 330 HZ PHE 42 HZ PHE 42 19.191 4.835 4.835 331 H LYS 43 H LYS 43 24.532 1.496 1.496 332 HA LYS 43 HA LYS 43 25.616 2.956 2.956 333 1HB LYS 43 HB2 LYS 43 25.331 0.162 0.162 334 2HB LYS 43 HB1 LYS 43 25.123 0.401 0.401 335 1HG LYS 43 HG2 LYS 43 27.446 0.116 0.116 336 2HG LYS 43 HG1 LYS 43 27.278 1.883 1.883 337 1HD LYS 43 HD2 LYS 43 28.760 1.392 1.392 338 2HD LYS 43 HD1 LYS 43 27.192 1.708 1.708 339 1HE LYS 43 HE2 LYS 43 26.776 -0.708 -0.708 340 2HE LYS 43 HE1 LYS 43 28.274 -1.061 -1.061 341 1HZ LYS 43 HZ1 LYS 43 28.086 0.327 0.327 342 2HZ LYS 43 HZ3 LYS 43 28.556 -1.259 -1.259 343 3HZ LYS 43 HZ2 LYS 43 29.494 -0.014 -0.014 344 H TYR 44 H TYR 44 24.603 2.068 2.068 345 HA TYR 44 HA TYR 44 21.694 2.027 2.027 346 1HB TYR 44 HB1 TYR 44 22.059 4.430 4.430 347 2HB TYR 44 HB2 TYR 44 23.163 4.521 4.521 348 HD1 TYR 44 HD2 TYR 44 20.029 2.538 2.538 349 HD2 TYR 44 HD1 TYR 44 21.939 6.301 6.301 350 HE1 TYR 44 HE2 TYR 44 18.159 3.108 3.108 351 HE2 TYR 44 HE1 TYR 44 20.069 6.870 6.870 352 HH TYR 44 HH TYR 44 17.933 6.261 6.261 353 H GLY 45 H GLY 45 21.523 0.301 0.301 354 1HA GLY 45 HA1 GLY 45 23.306 -0.313 -0.313 355 2HA GLY 45 HA2 GLY 45 21.640 -0.906 -0.906 356 H GLY 46 H GLY 46 20.369 1.741 1.741 357 1HA GLY 46 HA1 GLY 46 19.805 3.482 3.482 358 2HA GLY 46 HA2 GLY 46 21.171 3.056 3.056 359 H CYS 47 H CYS 47 20.929 0.906 0.906 360 HA CYS 47 HA CYS 47 19.231 0.749 0.749 361 1HB CYS 47 HB2 CYS 47 19.808 -1.502 -1.502 362 2HB CYS 47 HB1 CYS 47 18.781 -1.755 -1.755 363 HG CYS 47 HG CYS 47 20.805 -2.239 -2.239 364 H LEU 48 H LEU 48 18.053 -0.594 -0.594 365 HA LEU 48 HA LEU 48 15.375 0.419 0.419 366 1HB LEU 48 HB2 LEU 48 16.243 -2.254 -2.254 367 2HB LEU 48 HB1 LEU 48 14.967 -1.712 -1.712 368 HG LEU 48 HG LEU 48 13.949 -0.939 -0.939 369 1HD1 LEU 48 HD1 LEU 48 15.493 -3.494 -3.494 370 2HD1 LEU 48 HD1 LEU 48 14.226 -2.789 -2.789 371 3HD1 LEU 48 HD1 LEU 48 15.734 -1.902 -1.902 372 1HD2 LEU 48 HD2 LEU 48 12.733 -2.213 -2.213 373 2HD2 LEU 48 HD2 LEU 48 12.492 -2.964 -2.964 374 3HD2 LEU 48 HD2 LEU 48 13.613 -3.692 -3.692 375 H GLY 49 H GLY 49 16.380 -1.216 -1.216 376 1HA GLY 49 HA1 GLY 49 16.468 -0.453 -0.453 377 2HA GLY 49 HA2 GLY 49 16.922 1.136 1.136 378 H ASN 50 H ASN 50 15.553 1.980 1.980 379 HA ASN 50 HA ASN 50 12.661 1.944 1.944 380 1HB ASN 50 HB2 ASN 50 12.053 2.056 2.056 381 2HB ASN 50 HB1 ASN 50 13.307 0.802 0.802 382 1HD2 ASN 50 HD2 ASN 50 14.005 3.063 3.063 383 2HD2 ASN 50 HD2 ASN 50 12.703 1.991 1.991 384 H MET 51 H MET 51 11.994 3.976 3.976 385 HA MET 51 HA MET 51 12.787 6.320 6.320 386 1HB MET 51 HB2 MET 51 11.088 5.887 5.887 387 2HB MET 51 HB1 MET 51 11.398 7.493 7.493 388 1HG MET 51 HG2 MET 51 9.934 7.145 7.145 389 2HG MET 51 HG1 MET 51 10.497 5.483 5.483 390 1HE MET 51 HE1 MET 51 9.679 3.384 3.384 391 2HE MET 51 HE3 MET 51 7.899 3.321 3.321 392 3HE MET 51 HE2 MET 51 8.673 3.770 3.770 393 H ASN 52 H ASN 52 12.731 5.950 5.950 394 HA ASN 52 HA ASN 52 14.491 7.839 7.839 395 1HB ASN 52 HB2 ASN 52 13.447 5.803 5.803 396 2HB ASN 52 HB1 ASN 52 15.018 5.041 5.041 397 1HD2 ASN 52 HD2 ASN 52 15.322 6.661 6.661 398 2HD2 ASN 52 HD2 ASN 52 14.467 5.316 5.316 399 H ASN 53 H ASN 53 16.106 8.446 8.446 400 HA ASN 53 HA ASN 53 18.587 6.985 6.985 401 1HB ASN 53 HB2 ASN 53 17.948 5.552 5.552 402 2HB ASN 53 HB1 ASN 53 16.906 6.774 6.774 403 1HD2 ASN 53 HD2 ASN 53 19.316 7.960 7.960 404 2HD2 ASN 53 HD2 ASN 53 17.639 7.883 7.883 405 H PHE 54 H PHE 54 19.369 8.996 8.996 406 HA PHE 54 HA PHE 54 19.239 11.286 11.286 407 1HB PHE 54 HB2 PHE 54 20.016 11.253 11.253 408 2HB PHE 54 HB1 PHE 54 19.827 12.662 12.662 409 HD1 PHE 54 HD2 PHE 54 17.610 13.501 13.501 410 HD2 PHE 54 HD1 PHE 54 18.009 10.067 10.067 411 HE1 PHE 54 HE2 PHE 54 15.213 13.692 13.692 412 HE2 PHE 54 HE1 PHE 54 15.612 10.265 10.265 413 HZ PHE 54 HZ PHE 54 14.211 12.076 12.076 414 H GLU 55 H GLU 55 21.315 12.666 12.666 415 HA GLU 55 HA GLU 55 23.599 10.792 10.792 416 1HB GLU 55 HB2 GLU 55 23.380 13.585 13.585 417 2HB GLU 55 HB1 GLU 55 24.595 12.348 12.348 418 1HG GLU 55 HG2 GLU 55 22.702 10.883 10.883 419 2HG GLU 55 HG1 GLU 55 21.612 12.266 12.266 420 H THR 56 H THR 56 22.431 13.824 13.824 421 HA THR 56 HA THR 56 24.938 13.889 13.889 422 HB THR 56 HB THR 56 24.054 16.475 16.475 423 HG1 THR 56 HG1 THR 56 23.066 16.896 16.896 424 1HG2 THR 56 HG2 THR 56 25.693 15.001 15.001 425 2HG2 THR 56 HG2 THR 56 25.202 16.666 16.666 426 3HG2 THR 56 HG2 THR 56 26.201 16.343 16.343 427 H LEU 57 H LEU 57 24.702 14.390 14.390 428 HA LEU 57 HA LEU 57 22.443 13.155 13.155 429 1HB LEU 57 HB2 LEU 57 24.732 13.325 13.325 430 2HB LEU 57 HB1 LEU 57 24.396 15.024 15.024 431 HG LEU 57 HG LEU 57 22.405 14.111 14.111 432 1HD1 LEU 57 HD1 LEU 57 24.037 11.548 11.548 433 2HD1 LEU 57 HD1 LEU 57 22.684 11.813 11.813 434 3HD1 LEU 57 HD1 LEU 57 22.395 11.821 11.821 435 1HD2 LEU 57 HD2 LEU 57 24.356 15.125 15.125 436 2HD2 LEU 57 HD2 LEU 57 23.802 13.714 13.714 437 3HD2 LEU 57 HD2 LEU 57 25.241 13.590 13.590 438 H GLU 58 H GLU 58 23.411 16.637 16.637 439 HA GLU 58 HA GLU 58 21.215 17.719 17.719 440 1HB GLU 58 HB2 GLU 58 23.381 18.785 18.785 441 2HB GLU 58 HB1 GLU 58 22.167 19.160 19.160 442 1HG GLU 58 HG2 GLU 58 20.762 20.251 20.251 443 2HG GLU 58 HG1 GLU 58 21.996 19.878 19.878 444 H GLU 59 H GLU 59 21.580 16.894 16.894 445 HA GLU 59 HA GLU 59 19.088 17.797 17.797 446 1HB GLU 59 HB2 GLU 59 21.078 16.766 16.766 447 2HB GLU 59 HB1 GLU 59 20.260 15.217 15.217 448 1HG GLU 59 HG2 GLU 59 19.571 17.421 17.421 449 2HG GLU 59 HG1 GLU 59 19.088 15.714 15.714 450 H CYS 60 H CYS 60 19.995 14.536 14.536 451 HA CYS 60 HA CYS 60 17.400 13.445 13.445 452 1HB CYS 60 HB2 CYS 60 19.244 12.004 12.004 453 2HB CYS 60 HB1 CYS 60 19.756 12.840 12.840 454 HG CYS 60 HG CYS 60 17.002 11.956 11.956 455 H LYS 61 H LYS 61 18.870 15.715 15.715 456 HA LYS 61 HA LYS 61 16.852 15.309 15.309 457 1HB LYS 61 HB2 LYS 61 18.880 17.541 17.541 458 2HB LYS 61 HB1 LYS 61 17.925 17.172 17.172 459 1HG LYS 61 HG2 LYS 61 19.148 14.733 14.733 460 2HG LYS 61 HG1 LYS 61 20.404 15.966 15.966 461 1HD LYS 61 HD2 LYS 61 20.549 16.390 16.390 462 2HD LYS 61 HD1 LYS 61 18.802 16.204 16.204 463 1HE LYS 61 HE2 LYS 61 19.268 14.192 14.192 464 2HE LYS 61 HE1 LYS 61 19.699 13.628 13.628 465 1HZ LYS 61 HZ1 LYS 61 21.536 14.898 14.898 466 2HZ LYS 61 HZ3 LYS 61 21.460 13.269 13.269 467 3HZ LYS 61 HZ2 LYS 61 21.952 14.359 14.359 468 H ASN 62 H ASN 62 17.627 17.901 17.901 469 HA ASN 62 HA ASN 62 15.495 19.625 19.625 470 1HB ASN 62 HB2 ASN 62 17.416 19.805 19.805 471 2HB ASN 62 HB1 ASN 62 16.335 18.886 18.886 472 1HD2 ASN 62 HD2 ASN 62 15.993 22.686 22.686 473 2HD2 ASN 62 HD2 ASN 62 17.379 21.594 21.594 474 H ILE 63 H ILE 63 15.574 16.797 16.797 475 HA ILE 63 HA ILE 63 12.811 17.059 17.059 476 HB ILE 63 HB ILE 63 14.908 14.997 14.997 477 1HG1 ILE 63 HG1 ILE 63 14.846 15.618 15.618 478 2HG1 ILE 63 HG1 ILE 63 13.191 16.247 16.247 479 1HG2 ILE 63 HG2 ILE 63 11.973 14.620 14.620 480 2HG2 ILE 63 HG2 ILE 63 13.313 13.592 13.592 481 3HG2 ILE 63 HG2 ILE 63 12.921 13.658 13.658 482 1HD1 ILE 63 HD1 ILE 63 15.673 17.486 17.486 483 2HD1 ILE 63 HD1 ILE 63 14.844 18.083 18.083 484 3HD1 ILE 63 HD1 ILE 63 14.024 18.133 18.133 485 H CYS 64 H CYS 64 14.605 14.765 14.765 486 HA CYS 64 HA CYS 64 12.094 13.757 13.757 487 1HB CYS 64 HB2 CYS 64 14.865 13.281 13.281 488 2HB CYS 64 HB1 CYS 64 13.409 12.297 12.297 489 HG CYS 64 HG CYS 64 13.917 10.670 10.670 490 H GLU 65 H GLU 65 14.891 14.688 14.688 491 HA GLU 65 HA GLU 65 13.634 15.489 15.489 492 1HB GLU 65 HB2 GLU 65 16.045 16.598 16.598 493 2HB GLU 65 HB1 GLU 65 15.403 17.506 17.506 494 1HG GLU 65 HG2 GLU 65 15.360 14.931 14.931 495 2HG GLU 65 HG1 GLU 65 16.774 14.869 14.869 496 H ASP 66 H ASP 66 13.667 17.298 17.298 497 HA ASP 66 HA ASP 66 11.926 18.733 18.733 498 1HB ASP 66 HB2 ASP 66 10.279 19.488 19.488 499 2HB ASP 66 HB1 ASP 66 10.786 18.030 18.030 500 H GLY 67 H GLY 67 11.623 21.225 21.225 501 1HA GLY 67 HA1 GLY 67 14.162 22.466 22.466 502 2HA GLY 67 HA2 GLY 67 13.500 22.829 22.829 503 HA PRO 68 HA PRO 68 11.569 25.520 25.520 504 1HB PRO 68 HB2 PRO 68 13.038 27.875 27.875 505 2HB PRO 68 HB1 PRO 68 13.423 26.729 26.729 506 1HG PRO 68 HG2 PRO 68 14.783 27.202 27.202 507 2HG PRO 68 HG1 PRO 68 15.367 26.388 26.388 508 1HD PRO 68 HD2 PRO 68 14.504 25.165 25.165 509 2HD PRO 68 HD1 PRO 68 14.990 24.367 24.367 510 H ASN 69 H ASN 69 12.214 25.611 25.611 511 HA ASN 69 HA ASN 69 10.549 27.887 27.887 512 1HB ASN 69 HB2 ASN 69 12.325 26.722 26.722 513 2HB ASN 69 HB1 ASN 69 11.095 25.474 25.474 514 1HD2 ASN 69 HD2 ASN 69 10.624 27.635 27.635 515 2HD2 ASN 69 HD2 ASN 69 11.638 26.331 26.331 516 H GLY 70 H GLY 70 9.927 24.699 24.699 517 1HA GLY 70 HA1 GLY 70 7.902 23.670 23.670 518 2HA GLY 70 HA2 GLY 70 7.055 25.087 25.087 519 H PHE 71 H PHE 71 9.545 23.016 23.016 520 HA PHE 71 HA PHE 71 9.455 21.819 21.819 521 1HB PHE 71 HB2 PHE 71 6.749 21.254 21.254 522 2HB PHE 71 HB1 PHE 71 7.224 20.581 20.581 523 HD1 PHE 71 HD2 PHE 71 9.807 19.553 19.553 524 HD2 PHE 71 HD1 PHE 71 7.025 19.788 19.788 525 HE1 PHE 71 HE2 PHE 71 10.984 17.679 17.679 526 HE2 PHE 71 HE1 PHE 71 8.208 17.914 17.914 527 HZ PHE 71 HZ PHE 71 10.187 16.856 16.856 Start of MODEL 27 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.465 -0.293 -0.293 3 1HB ASP 1 HB2 ASP 1 2.147 2.099 2.099 4 2HB ASP 1 HB1 ASP 1 3.745 1.349 1.349 5 H TYR 2 H TYR 2 4.080 0.009 0.009 6 HA TYR 2 HA TYR 2 5.343 -2.328 -2.328 7 1HB TYR 2 HB1 TYR 2 6.514 0.015 0.015 8 2HB TYR 2 HB2 TYR 2 6.699 -0.657 -0.657 9 HD1 TYR 2 HD2 TYR 2 7.107 -2.093 -2.093 10 HD2 TYR 2 HD1 TYR 2 8.860 -1.425 -1.425 11 HE1 TYR 2 HE2 TYR 2 9.145 -3.318 -3.318 12 HE2 TYR 2 HE1 TYR 2 10.896 -2.650 -2.650 13 HH TYR 2 HH TYR 2 11.986 -3.172 -3.172 14 H LYS 3 H LYS 3 4.416 -4.158 -4.158 15 HA LYS 3 HA LYS 3 3.613 -4.306 -4.306 16 1HB LYS 3 HB2 LYS 3 2.512 -5.611 -5.611 17 2HB LYS 3 HB1 LYS 3 4.018 -6.484 -6.484 18 1HG LYS 3 HG2 LYS 3 3.648 -7.922 -7.922 19 2HG LYS 3 HG1 LYS 3 3.378 -6.587 -6.587 20 1HD LYS 3 HD2 LYS 3 1.280 -7.546 -7.546 21 2HD LYS 3 HD1 LYS 3 1.417 -8.200 -8.200 22 1HE LYS 3 HE2 LYS 3 1.153 -5.219 -5.219 23 2HE LYS 3 HE1 LYS 3 -0.268 -6.270 -6.270 24 1HZ LYS 3 HZ1 LYS 3 1.869 -5.918 -5.918 25 2HZ LYS 3 HZ3 LYS 3 0.341 -5.246 -5.246 26 3HZ LYS 3 HZ2 LYS 3 0.535 -6.892 -6.892 27 H ASP 4 H ASP 4 4.615 -5.247 -5.247 28 HA ASP 4 HA ASP 4 6.958 -6.810 -6.810 29 1HB ASP 4 HB2 ASP 4 7.355 -3.849 -3.849 30 2HB ASP 4 HB1 ASP 4 8.325 -4.767 -4.767 31 H ASP 5 H ASP 5 6.582 -3.819 -3.819 32 HA ASP 5 HA ASP 5 5.247 -5.324 -5.324 33 1HB ASP 5 HB2 ASP 5 7.728 -5.660 -5.660 34 2HB ASP 5 HB1 ASP 5 7.892 -3.897 -3.897 35 H ASP 6 H ASP 6 4.172 -3.955 -3.955 36 HA ASP 6 HA ASP 6 4.562 -1.051 -1.051 37 1HB ASP 6 HB2 ASP 6 2.182 -2.538 -2.538 38 2HB ASP 6 HB1 ASP 6 1.904 -1.016 -1.016 39 H ASP 7 H ASP 7 2.666 0.003 0.003 40 HA ASP 7 HA ASP 7 1.913 0.236 0.236 41 1HB ASP 7 HB2 ASP 7 1.383 -2.660 -2.660 42 2HB ASP 7 HB1 ASP 7 1.178 -2.075 -2.075 43 H LYS 8 H LYS 8 3.079 -3.122 -3.122 44 HA LYS 8 HA LYS 8 5.638 -2.579 -2.579 45 1HB LYS 8 HB2 LYS 8 5.235 -2.648 -2.648 46 2HB LYS 8 HB1 LYS 8 4.942 -1.116 -1.116 47 1HG LYS 8 HG2 LYS 8 2.616 -1.311 -1.311 48 2HG LYS 8 HG1 LYS 8 2.676 -3.079 -3.079 49 1HD LYS 8 HD2 LYS 8 2.106 -1.774 -1.774 50 2HD LYS 8 HD1 LYS 8 3.431 -2.947 -2.947 51 1HE LYS 8 HE2 LYS 8 4.028 -0.820 -0.820 52 2HE LYS 8 HE1 LYS 8 5.070 -1.099 -1.099 53 1HZ LYS 8 HZ1 LYS 8 2.665 0.618 0.618 54 2HZ LYS 8 HZ3 LYS 8 4.250 1.144 1.144 55 3HZ LYS 8 HZ2 LYS 8 3.644 0.376 0.376 56 H LEU 9 H LEU 9 6.368 -4.408 -4.408 57 HA LEU 9 HA LEU 9 5.038 -6.854 -6.854 58 1HB LEU 9 HB2 LEU 9 7.753 -6.459 -6.459 59 2HB LEU 9 HB1 LEU 9 7.086 -8.004 -8.004 60 HG LEU 9 HG LEU 9 8.442 -7.404 -7.404 61 1HD1 LEU 9 HD1 LEU 9 5.770 -6.137 -6.137 62 2HD1 LEU 9 HD1 LEU 9 7.034 -6.610 -6.610 63 3HD1 LEU 9 HD1 LEU 9 6.225 -7.843 -7.843 64 1HD2 LEU 9 HD2 LEU 9 9.133 -5.200 -5.200 65 2HD2 LEU 9 HD2 LEU 9 8.714 -5.095 -5.095 66 3HD2 LEU 9 HD2 LEU 9 7.584 -4.494 -4.494 67 H LYS 10 H LYS 10 5.446 -8.776 -8.776 68 HA LYS 10 HA LYS 10 3.557 -8.568 -8.568 69 1HB LYS 10 HB2 LYS 10 5.987 -10.187 -10.187 70 2HB LYS 10 HB1 LYS 10 5.401 -10.078 -10.078 71 1HG LYS 10 HG2 LYS 10 3.168 -10.459 -10.459 72 2HG LYS 10 HG1 LYS 10 4.398 -11.702 -11.702 73 1HD LYS 10 HD2 LYS 10 4.408 -11.888 -11.888 74 2HD LYS 10 HD1 LYS 10 2.812 -11.124 -11.124 75 1HE LYS 10 HE2 LYS 10 3.512 -13.528 -13.528 76 2HE LYS 10 HE1 LYS 10 3.017 -13.755 -13.755 77 1HZ LYS 10 HZ1 LYS 10 1.478 -12.323 -12.323 78 2HZ LYS 10 HZ3 LYS 10 1.163 -13.859 -13.859 79 3HZ LYS 10 HZ2 LYS 10 0.999 -12.544 -12.544 80 HA PRO 11 HA PRO 11 4.818 -5.569 -5.569 81 1HB PRO 11 HB2 PRO 11 3.260 -6.460 -6.460 82 2HB PRO 11 HB1 PRO 11 2.631 -5.480 -5.480 83 1HG PRO 11 HG2 PRO 11 2.239 -8.333 -8.333 84 2HG PRO 11 HG1 PRO 11 1.311 -7.254 -7.254 85 1HD PRO 11 HD2 PRO 11 3.199 -9.257 -9.257 86 2HD PRO 11 HD1 PRO 11 2.343 -8.099 -8.099 87 H ASP 12 H ASP 12 6.954 -5.791 -5.791 88 HA ASP 12 HA ASP 12 8.112 -8.017 -8.017 89 1HB ASP 12 HB2 ASP 12 9.462 -6.432 -6.432 90 2HB ASP 12 HB1 ASP 12 8.929 -5.103 -5.103 91 H PHE 13 H PHE 13 6.554 -5.031 -5.031 92 HA PHE 13 HA PHE 13 7.417 -4.970 -4.970 93 1HB PHE 13 HB2 PHE 13 5.490 -3.690 -3.690 94 2HB PHE 13 HB1 PHE 13 5.959 -3.320 -3.320 95 HD1 PHE 13 HD1 PHE 13 3.633 -5.641 -5.641 96 HD2 PHE 13 HD2 PHE 13 4.367 -3.343 -3.343 97 HE1 PHE 13 HE1 PHE 13 1.358 -6.199 -6.199 98 HE2 PHE 13 HE2 PHE 13 2.089 -3.906 -3.906 99 HZ PHE 13 HZ PHE 13 0.582 -5.333 -5.333 100 H CYS 14 H CYS 14 5.113 -7.143 -7.143 101 HA CYS 14 HA CYS 14 3.898 -8.208 -8.208 102 1HB CYS 14 HB2 CYS 14 4.374 -9.299 -9.299 103 2HB CYS 14 HB1 CYS 14 3.549 -10.248 -10.248 104 HG CYS 14 HG CYS 14 1.482 -9.225 -9.225 105 H PHE 15 H PHE 15 6.907 -9.081 -9.081 106 HA PHE 15 HA PHE 15 7.504 -11.384 -11.384 107 1HB PHE 15 HB2 PHE 15 9.467 -9.910 -9.910 108 2HB PHE 15 HB1 PHE 15 9.427 -11.609 -11.609 109 HD1 PHE 15 HD1 PHE 15 6.818 -12.627 -12.627 110 HD2 PHE 15 HD2 PHE 15 9.173 -9.656 -9.656 111 HE1 PHE 15 HE1 PHE 15 5.653 -13.183 -13.183 112 HE2 PHE 15 HE2 PHE 15 8.002 -10.218 -10.218 113 HZ PHE 15 HZ PHE 15 6.241 -11.981 -11.981 114 H LEU 16 H LEU 16 7.669 -7.946 -7.946 115 HA LEU 16 HA LEU 16 10.089 -7.688 -7.688 116 1HB LEU 16 HB2 LEU 16 8.599 -5.927 -5.927 117 2HB LEU 16 HB1 LEU 16 7.636 -6.028 -6.028 118 HG LEU 16 HG LEU 16 9.883 -4.446 -4.446 119 1HD1 LEU 16 HD1 LEU 16 8.455 -4.977 -4.977 120 2HD1 LEU 16 HD1 LEU 16 9.554 -3.607 -3.607 121 3HD1 LEU 16 HD1 LEU 16 8.031 -3.755 -3.755 122 1HD2 LEU 16 HD2 LEU 16 11.357 -6.329 -6.329 123 2HD2 LEU 16 HD2 LEU 16 11.473 -5.077 -5.077 124 3HD2 LEU 16 HD2 LEU 16 10.534 -6.555 -6.555 125 H GLU 17 H GLU 17 10.691 -8.590 -8.590 126 HA GLU 17 HA GLU 17 9.315 -10.262 -10.262 127 1HB GLU 17 HB2 GLU 17 11.001 -8.126 -8.126 128 2HB GLU 17 HB1 GLU 17 10.814 -9.831 -9.831 129 1HG GLU 17 HG2 GLU 17 11.811 -10.284 -10.284 130 2HG GLU 17 HG1 GLU 17 12.385 -8.609 -8.609 131 H GLU 18 H GLU 18 7.588 -10.293 -10.293 132 HA GLU 18 HA GLU 18 5.678 -8.351 -8.351 133 1HB GLU 18 HB2 GLU 18 4.631 -9.502 -9.502 134 2HB GLU 18 HB1 GLU 18 5.731 -10.740 -10.740 135 1HG GLU 18 HG2 GLU 18 7.397 -9.706 -9.706 136 2HG GLU 18 HG1 GLU 18 5.895 -9.135 -9.135 137 H ASP 19 H ASP 19 5.256 -6.405 -6.405 138 HA ASP 19 HA ASP 19 7.221 -5.510 -5.510 139 1HB ASP 19 HB2 ASP 19 7.420 -4.569 -4.569 140 2HB ASP 19 HB1 ASP 19 5.994 -3.624 -3.624 141 HA PRO 20 HA PRO 20 3.130 -4.801 -4.801 142 1HB PRO 20 HB2 PRO 20 4.013 -5.084 -5.084 143 2HB PRO 20 HB1 PRO 20 3.449 -6.429 -6.429 144 1HG PRO 20 HG2 PRO 20 6.175 -5.718 -5.718 145 2HG PRO 20 HG1 PRO 20 5.544 -7.249 -7.249 146 1HD PRO 20 HD2 PRO 20 7.119 -5.303 -5.303 147 2HD PRO 20 HD1 PRO 20 6.392 -6.786 -6.786 148 H GLY 21 H GLY 21 6.179 -3.181 -3.181 149 1HA GLY 21 HA1 GLY 21 6.392 -0.824 -0.824 150 2HA GLY 21 HA2 GLY 21 4.691 -0.667 -0.667 151 H ILE 22 H ILE 22 7.023 0.629 0.629 152 HA ILE 22 HA ILE 22 8.170 -0.452 -0.452 153 HB ILE 22 HB ILE 22 7.330 1.837 1.837 154 1HG1 ILE 22 HG1 ILE 22 7.430 2.558 2.558 155 2HG1 ILE 22 HG1 ILE 22 5.896 2.099 2.099 156 1HG2 ILE 22 HG2 ILE 22 9.512 1.484 1.484 157 2HG2 ILE 22 HG2 ILE 22 9.392 2.854 2.854 158 3HG2 ILE 22 HG2 ILE 22 9.658 1.209 1.209 159 1HD1 ILE 22 HD1 ILE 22 7.751 4.354 4.354 160 2HD1 ILE 22 HD1 ILE 22 6.218 4.554 4.554 161 3HD1 ILE 22 HD1 ILE 22 6.210 3.914 3.914 162 H CYS 23 H CYS 23 5.032 1.274 1.274 163 HA CYS 23 HA CYS 23 4.417 0.236 0.236 164 1HB CYS 23 HB2 CYS 23 2.149 0.714 0.714 165 2HB CYS 23 HB1 CYS 23 3.109 1.892 1.892 166 HG CYS 23 HG CYS 23 0.639 0.077 0.077 167 H ARG 24 H ARG 24 2.756 -1.484 -1.484 168 HA ARG 24 HA ARG 24 3.293 -3.930 -3.930 169 1HB ARG 24 HB2 ARG 24 3.497 -3.371 -3.371 170 2HB ARG 24 HB1 ARG 24 2.319 -4.665 -4.665 171 1HG ARG 24 HG2 ARG 24 4.789 -5.353 -5.353 172 2HG ARG 24 HG1 ARG 24 3.937 -6.034 -6.034 173 1HD ARG 24 HD2 ARG 24 5.301 -4.947 -4.947 174 2HD ARG 24 HD1 ARG 24 5.243 -3.435 -3.435 175 HE ARG 24 HE ARG 24 7.267 -5.530 -5.530 176 1HH1 ARG 24 HH1 ARG 24 5.657 -2.973 -2.973 177 2HH1 ARG 24 HH1 ARG 24 6.997 -2.720 -2.720 178 1HH2 ARG 24 HH2 ARG 24 9.059 -5.213 -5.213 179 2HH2 ARG 24 HH2 ARG 24 8.940 -4.000 -4.000 180 H GLY 25 H GLY 25 1.091 -1.735 -1.735 181 1HA GLY 25 HA1 GLY 25 -1.370 -2.760 -2.760 182 2HA GLY 25 HA2 GLY 25 -1.163 -1.704 -1.704 183 H TYR 26 H TYR 26 -1.215 -5.116 -5.116 184 HA TYR 26 HA TYR 26 -0.906 -6.223 -6.223 185 1HB TYR 26 HB1 TYR 26 -2.141 -7.370 -7.370 186 2HB TYR 26 HB2 TYR 26 -1.860 -8.305 -8.305 187 HD1 TYR 26 HD2 TYR 26 0.822 -6.124 -6.124 188 HD2 TYR 26 HD1 TYR 26 -0.641 -9.505 -9.505 189 HE1 TYR 26 HE2 TYR 26 3.137 -6.640 -6.640 190 HE2 TYR 26 HE1 TYR 26 1.673 -10.019 -10.019 191 HH TYR 26 HH TYR 26 4.377 -9.052 -9.052 192 H ILE 27 H ILE 27 -2.511 -7.159 -7.159 193 HA ILE 27 HA ILE 27 -5.292 -6.470 -6.470 194 HB ILE 27 HB ILE 27 -4.063 -5.489 -5.489 195 1HG1 ILE 27 HG1 ILE 27 -4.534 -3.871 -3.871 196 2HG1 ILE 27 HG1 ILE 27 -2.951 -4.366 -4.366 197 1HG2 ILE 27 HG2 ILE 27 -6.683 -4.841 -4.841 198 2HG2 ILE 27 HG2 ILE 27 -6.098 -4.055 -4.055 199 3HG2 ILE 27 HG2 ILE 27 -6.479 -5.789 -5.789 200 1HD1 ILE 27 HD1 ILE 27 -4.970 -2.569 -2.569 201 2HD1 ILE 27 HD1 ILE 27 -3.479 -2.027 -2.027 202 3HD1 ILE 27 HD1 ILE 27 -3.382 -3.044 -3.044 203 H THR 28 H THR 28 -3.438 -8.853 -8.853 204 HA THR 28 HA THR 28 -3.332 -10.790 -10.790 205 HB THR 28 HB THR 28 -6.300 -10.297 -10.297 206 HG1 THR 28 HG1 THR 28 -5.720 -11.624 -11.624 207 1HG2 THR 28 HG2 THR 28 -4.874 -12.538 -12.538 208 2HG2 THR 28 HG2 THR 28 -6.062 -12.992 -12.992 209 3HG2 THR 28 HG2 THR 28 -6.575 -12.020 -12.020 210 H ARG 29 H ARG 29 -2.530 -8.960 -8.960 211 HA ARG 29 HA ARG 29 -4.330 -8.914 -8.914 212 1HB ARG 29 HB2 ARG 29 -1.568 -7.735 -7.735 213 2HB ARG 29 HB1 ARG 29 -2.410 -7.612 -7.612 214 1HG ARG 29 HG2 ARG 29 -3.418 -6.575 -6.575 215 2HG ARG 29 HG1 ARG 29 -2.747 -5.582 -5.582 216 1HD ARG 29 HD2 ARG 29 -4.610 -6.328 -6.328 217 2HD ARG 29 HD1 ARG 29 -5.271 -7.298 -7.298 218 HE ARG 29 HE ARG 29 -4.826 -4.452 -4.452 219 1HH1 ARG 29 HH1 ARG 29 -7.075 -6.909 -6.909 220 2HH1 ARG 29 HH1 ARG 29 -8.531 -5.973 -5.973 221 1HH2 ARG 29 HH2 ARG 29 -6.744 -3.191 -3.191 222 2HH2 ARG 29 HH2 ARG 29 -8.343 -3.850 -3.850 223 H TYR 30 H TYR 30 -2.783 -9.173 -9.173 224 HA TYR 30 HA TYR 30 -1.384 -11.777 -11.777 225 1HB TYR 30 HB1 TYR 30 -3.313 -11.111 -11.111 226 2HB TYR 30 HB2 TYR 30 -2.406 -12.604 -12.604 227 HD1 TYR 30 HD1 TYR 30 -4.829 -10.541 -10.541 228 HD2 TYR 30 HD2 TYR 30 -3.477 -14.471 -14.471 229 HE1 TYR 30 HE1 TYR 30 -6.661 -11.570 -11.570 230 HE2 TYR 30 HE2 TYR 30 -5.310 -15.500 -15.500 231 HH TYR 30 HH TYR 30 -7.918 -14.338 -14.338 232 H PHE 31 H PHE 31 0.248 -12.290 -12.290 233 HA PHE 31 HA PHE 31 1.092 -10.060 -10.060 234 1HB PHE 31 HB2 PHE 31 3.126 -9.634 -9.634 235 2HB PHE 31 HB1 PHE 31 2.022 -9.699 -9.699 236 HD1 PHE 31 HD2 PHE 31 1.868 -11.844 -11.844 237 HD2 PHE 31 HD1 PHE 31 5.028 -11.126 -11.126 238 HE1 PHE 31 HE2 PHE 31 3.270 -13.573 -13.573 239 HE2 PHE 31 HE1 PHE 31 6.422 -12.855 -12.855 240 HZ PHE 31 HZ PHE 31 5.548 -14.080 -14.080 241 H TYR 32 H TYR 32 2.341 -10.811 -10.811 242 HA TYR 32 HA TYR 32 2.225 -13.703 -13.703 243 1HB TYR 32 HB1 TYR 32 1.938 -11.807 -11.807 244 2HB TYR 32 HB2 TYR 32 3.692 -11.744 -11.744 245 HD1 TYR 32 HD2 TYR 32 5.068 -13.660 -13.660 246 HD2 TYR 32 HD1 TYR 32 0.751 -13.708 -13.708 247 HE1 TYR 32 HE2 TYR 32 5.180 -15.536 -15.536 248 HE2 TYR 32 HE1 TYR 32 0.865 -15.583 -15.583 249 HH TYR 32 HH TYR 32 3.252 -16.439 -16.439 250 H ASN 33 H ASN 33 3.640 -15.046 -15.046 251 HA ASN 33 HA ASN 33 6.379 -14.018 -14.018 252 1HB ASN 33 HB2 ASN 33 5.088 -15.037 -15.037 253 2HB ASN 33 HB1 ASN 33 4.957 -16.544 -16.544 254 1HD2 ASN 33 HD2 ASN 33 7.802 -16.715 -16.715 255 2HD2 ASN 33 HD2 ASN 33 6.075 -16.353 -16.353 256 H ASN 34 H ASN 34 8.053 -14.646 -14.646 257 HA ASN 34 HA ASN 34 7.659 -16.395 -16.395 258 1HB ASN 34 HB2 ASN 34 9.427 -14.595 -14.595 259 2HB ASN 34 HB1 ASN 34 10.271 -15.585 -15.585 260 1HD2 ASN 34 HD2 ASN 34 11.504 -18.015 -18.015 261 2HD2 ASN 34 HD2 ASN 34 11.061 -17.660 -17.660 262 H GLN 35 H GLN 35 8.923 -16.831 -16.831 263 HA GLN 35 HA GLN 35 10.154 -19.306 -19.306 264 1HB GLN 35 HB2 GLN 35 9.551 -17.662 -17.662 265 2HB GLN 35 HB1 GLN 35 8.520 -19.069 -19.069 266 1HG GLN 35 HG2 GLN 35 11.014 -20.129 -20.129 267 2HG GLN 35 HG1 GLN 35 11.413 -18.770 -18.770 268 1HE2 GLN 35 HE2 GLN 35 10.559 -20.388 -20.388 269 2HE2 GLN 35 HE2 GLN 35 11.281 -19.015 -19.015 270 H THR 36 H THR 36 6.747 -18.449 -18.449 271 HA THR 36 HA THR 36 6.104 -21.350 -21.350 272 HB THR 36 HB THR 36 3.797 -20.659 -20.659 273 HG1 THR 36 HG1 THR 36 5.434 -18.476 -18.476 274 1HG2 THR 36 HG2 THR 36 6.462 -20.699 -20.699 275 2HG2 THR 36 HG2 THR 36 5.048 -20.111 -20.111 276 3HG2 THR 36 HG2 THR 36 5.050 -21.763 -21.763 277 H LYS 37 H LYS 37 6.827 -18.867 -18.867 278 HA LYS 37 HA LYS 37 5.879 -17.737 -17.737 279 1HB LYS 37 HB2 LYS 37 5.597 -20.672 -20.672 280 2HB LYS 37 HB1 LYS 37 5.473 -19.359 -19.359 281 1HG LYS 37 HG2 LYS 37 7.722 -19.415 -19.415 282 2HG LYS 37 HG1 LYS 37 7.827 -18.837 -18.837 283 1HD LYS 37 HD2 LYS 37 9.134 -20.898 -20.898 284 2HD LYS 37 HD1 LYS 37 7.740 -21.201 -21.201 285 1HE LYS 37 HE2 LYS 37 7.238 -22.934 -22.934 286 2HE LYS 37 HE1 LYS 37 6.779 -21.722 -21.722 287 1HZ LYS 37 HZ1 LYS 37 9.476 -22.878 -22.878 288 2HZ LYS 37 HZ3 LYS 37 8.386 -23.276 -23.276 289 3HZ LYS 37 HZ2 LYS 37 9.052 -21.756 -21.756 290 H GLN 38 H GLN 38 3.999 -17.702 -17.702 291 HA GLN 38 HA GLN 38 1.559 -17.530 -17.530 292 1HB GLN 38 HB2 GLN 38 0.178 -18.916 -18.916 293 2HB GLN 38 HB1 GLN 38 1.551 -19.893 -19.893 294 1HG GLN 38 HG2 GLN 38 2.349 -20.158 -20.158 295 2HG GLN 38 HG1 GLN 38 2.076 -18.453 -18.453 296 1HE2 GLN 38 HE2 GLN 38 -1.340 -20.809 -20.809 297 2HE2 GLN 38 HE2 GLN 38 -0.295 -20.733 -20.733 298 H CYS 39 H CYS 39 -0.125 -17.363 -17.363 299 HA CYS 39 HA CYS 39 0.987 -14.802 -14.802 300 1HB CYS 39 HB2 CYS 39 -1.859 -15.707 -15.707 301 2HB CYS 39 HB1 CYS 39 -1.422 -14.275 -14.275 302 HG CYS 39 HG CYS 39 0.149 -13.511 -13.511 303 H GLU 40 H GLU 40 1.382 -14.601 -14.601 304 HA GLU 40 HA GLU 40 0.396 -16.829 -16.829 305 1HB GLU 40 HB2 GLU 40 2.874 -15.146 -15.146 306 2HB GLU 40 HB1 GLU 40 2.371 -16.613 -16.613 307 1HG GLU 40 HG2 GLU 40 2.826 -16.682 -16.682 308 2HG GLU 40 HG1 GLU 40 4.215 -16.744 -16.744 309 H ARG 41 H ARG 41 -0.592 -16.341 -16.341 310 HA ARG 41 HA ARG 41 -1.714 -13.684 -13.684 311 1HB ARG 41 HB2 ARG 41 -2.195 -16.287 -16.287 312 2HB ARG 41 HB1 ARG 41 -2.070 -15.082 -15.082 313 1HG ARG 41 HG2 ARG 41 -4.041 -14.105 -14.105 314 2HG ARG 41 HG1 ARG 41 -3.655 -14.164 -14.164 315 1HD ARG 41 HD2 ARG 41 -4.762 -16.429 -16.429 316 2HD ARG 41 HD1 ARG 41 -5.618 -15.561 -15.561 317 HE ARG 41 HE ARG 41 -3.234 -16.616 -16.616 318 1HH1 ARG 41 HH1 ARG 41 -6.248 -17.773 -17.773 319 2HH1 ARG 41 HH1 ARG 41 -6.289 -19.286 -19.286 320 1HH2 ARG 41 HH2 ARG 41 -3.266 -18.618 -18.618 321 2HH2 ARG 41 HH2 ARG 41 -4.585 -19.769 -19.769 322 H PHE 42 H PHE 42 -0.717 -11.936 -11.936 323 HA PHE 42 HA PHE 42 1.105 -12.312 -12.312 324 1HB PHE 42 HB2 PHE 42 2.893 -11.329 -11.329 325 2HB PHE 42 HB1 PHE 42 2.220 -12.120 -12.120 326 HD1 PHE 42 HD2 PHE 42 0.232 -10.586 -10.586 327 HD2 PHE 42 HD1 PHE 42 3.634 -9.121 -9.121 328 HE1 PHE 42 HE2 PHE 42 0.086 -8.411 -8.411 329 HE2 PHE 42 HE1 PHE 42 3.480 -6.951 -6.951 330 HZ PHE 42 HZ PHE 42 1.709 -6.592 -6.592 331 H LYS 43 H LYS 43 1.125 -10.541 -10.541 332 HA LYS 43 HA LYS 43 -1.238 -8.881 -8.881 333 1HB LYS 43 HB2 LYS 43 -0.061 -7.905 -7.905 334 2HB LYS 43 HB1 LYS 43 -0.920 -9.458 -9.458 335 1HG LYS 43 HG2 LYS 43 1.968 -9.514 -9.514 336 2HG LYS 43 HG1 LYS 43 1.618 -9.137 -9.137 337 1HD LYS 43 HD2 LYS 43 0.453 -11.214 -11.214 338 2HD LYS 43 HD1 LYS 43 0.386 -11.515 -11.515 339 1HE LYS 43 HE2 LYS 43 3.053 -11.387 -11.387 340 2HE LYS 43 HE1 LYS 43 2.673 -11.837 -11.837 341 1HZ LYS 43 HZ1 LYS 43 1.807 -13.291 -13.291 342 2HZ LYS 43 HZ3 LYS 43 3.034 -13.749 -13.749 343 3HZ LYS 43 HZ2 LYS 43 1.460 -13.729 -13.729 344 H TYR 44 H TYR 44 -1.385 -6.680 -6.680 345 HA TYR 44 HA TYR 44 1.178 -5.556 -5.556 346 1HB TYR 44 HB1 TYR 44 -0.472 -5.756 -5.756 347 2HB TYR 44 HB2 TYR 44 -1.734 -5.076 -5.076 348 HD1 TYR 44 HD2 TYR 44 1.660 -3.571 -3.571 349 HD2 TYR 44 HD1 TYR 44 -2.379 -3.349 -3.349 350 HE1 TYR 44 HE2 TYR 44 2.120 -1.301 -1.301 351 HE2 TYR 44 HE1 TYR 44 -1.918 -1.080 -1.080 352 HH TYR 44 HH TYR 44 -0.081 0.914 0.914 353 H GLY 45 H GLY 45 2.078 -4.584 -4.584 354 1HA GLY 45 HA1 GLY 45 0.916 -3.368 -3.368 355 2HA GLY 45 HA2 GLY 45 2.379 -2.728 -2.728 356 H GLY 46 H GLY 46 1.350 -1.887 -1.887 357 1HA GLY 46 HA1 GLY 46 0.196 -0.164 -0.164 358 2HA GLY 46 HA2 GLY 46 -1.050 -0.317 -0.317 359 H CYS 47 H CYS 47 1.932 1.304 1.304 360 HA CYS 47 HA CYS 47 1.328 3.566 3.566 361 1HB CYS 47 HB2 CYS 47 3.803 3.314 3.314 362 2HB CYS 47 HB1 CYS 47 2.316 2.842 2.842 363 HG CYS 47 HG CYS 47 2.634 0.079 0.079 364 H LEU 48 H LEU 48 4.177 1.879 1.879 365 HA LEU 48 HA LEU 48 4.280 3.963 3.963 366 1HB LEU 48 HB2 LEU 48 5.496 4.827 4.827 367 2HB LEU 48 HB1 LEU 48 6.687 3.540 3.540 368 HG LEU 48 HG LEU 48 6.735 6.109 6.109 369 1HD1 LEU 48 HD1 LEU 48 8.196 3.651 3.651 370 2HD1 LEU 48 HD1 LEU 48 8.675 5.342 5.342 371 3HD1 LEU 48 HD1 LEU 48 8.700 4.699 4.699 372 1HD2 LEU 48 HD2 LEU 48 4.983 5.630 5.630 373 2HD2 LEU 48 HD2 LEU 48 6.542 5.889 5.889 374 3HD2 LEU 48 HD2 LEU 48 5.904 4.246 4.246 375 H GLY 49 H GLY 49 3.777 1.031 1.031 376 1HA GLY 49 HA1 GLY 49 6.041 -0.474 -0.474 377 2HA GLY 49 HA2 GLY 49 4.337 -0.916 -0.916 378 H ASN 50 H ASN 50 4.652 -1.679 -1.679 379 HA ASN 50 HA ASN 50 4.897 0.519 0.519 380 1HB ASN 50 HB2 ASN 50 6.158 -1.340 -1.340 381 2HB ASN 50 HB1 ASN 50 7.068 -0.315 -0.315 382 1HD2 ASN 50 HD2 ASN 50 6.665 -4.373 -4.373 383 2HD2 ASN 50 HD2 ASN 50 5.896 -3.464 -3.464 384 H MET 51 H MET 51 4.504 -0.714 -0.714 385 HA MET 51 HA MET 51 1.843 -1.296 -1.296 386 1HB MET 51 HB2 MET 51 4.267 -2.226 -2.226 387 2HB MET 51 HB1 MET 51 2.697 -2.960 -2.960 388 1HG MET 51 HG2 MET 51 3.284 0.039 0.039 389 2HG MET 51 HG1 MET 51 3.217 -0.969 -0.969 390 1HE MET 51 HE1 MET 51 0.992 -2.388 -2.388 391 2HE MET 51 HE3 MET 51 -0.408 -1.292 -1.292 392 3HE MET 51 HE2 MET 51 1.188 -0.793 -0.793 393 H ASN 52 H ASN 52 4.216 -4.024 -4.024 394 HA ASN 52 HA ASN 52 2.713 -6.188 -6.188 395 1HB ASN 52 HB2 ASN 52 5.173 -6.293 -6.293 396 2HB ASN 52 HB1 ASN 52 5.115 -5.512 -5.512 397 1HD2 ASN 52 HD2 ASN 52 4.694 -9.532 -9.532 398 2HD2 ASN 52 HD2 ASN 52 5.113 -8.396 -8.396 399 H ASN 53 H ASN 53 0.692 -6.006 -6.006 400 HA ASN 53 HA ASN 53 0.366 -6.642 -6.642 401 1HB ASN 53 HB2 ASN 53 1.189 -4.626 -4.626 402 2HB ASN 53 HB1 ASN 53 0.597 -3.661 -3.661 403 1HD2 ASN 53 HD2 ASN 53 -2.317 -2.695 -2.695 404 2HD2 ASN 53 HD2 ASN 53 -1.048 -2.417 -2.417 405 H PHE 54 H PHE 54 -1.292 -7.853 -7.853 406 HA PHE 54 HA PHE 54 -3.561 -6.305 -6.305 407 1HB PHE 54 HB2 PHE 54 -3.032 -9.288 -9.288 408 2HB PHE 54 HB1 PHE 54 -4.253 -8.425 -8.425 409 HD1 PHE 54 HD2 PHE 54 -3.674 -7.049 -7.049 410 HD2 PHE 54 HD1 PHE 54 -0.670 -9.309 -9.309 411 HE1 PHE 54 HE2 PHE 54 -2.113 -6.798 -6.798 412 HE2 PHE 54 HE1 PHE 54 0.883 -9.053 -9.053 413 HZ PHE 54 HZ PHE 54 0.166 -7.800 -7.800 414 H GLU 55 H GLU 55 -5.777 -7.309 -7.309 415 HA GLU 55 HA GLU 55 -5.869 -7.644 -7.644 416 1HB GLU 55 HB2 GLU 55 -8.074 -6.870 -6.870 417 2HB GLU 55 HB1 GLU 55 -8.251 -6.998 -6.998 418 1HG GLU 55 HG2 GLU 55 -6.199 -5.313 -5.313 419 2HG GLU 55 HG1 GLU 55 -6.746 -4.963 -4.963 420 H THR 56 H THR 56 -7.023 -9.019 -9.019 421 HA THR 56 HA THR 56 -7.727 -11.509 -11.509 422 HB THR 56 HB THR 56 -9.317 -11.765 -11.765 423 HG1 THR 56 HG1 THR 56 -9.863 -9.534 -9.534 424 1HG2 THR 56 HG2 THR 56 -9.632 -10.043 -10.043 425 2HG2 THR 56 HG2 THR 56 -10.838 -9.857 -9.857 426 3HG2 THR 56 HG2 THR 56 -10.622 -11.438 -11.438 427 H LEU 57 H LEU 57 -7.025 -13.495 -13.495 428 HA LEU 57 HA LEU 57 -4.562 -13.462 -13.462 429 1HB LEU 57 HB2 LEU 57 -5.564 -15.265 -15.265 430 2HB LEU 57 HB1 LEU 57 -6.551 -15.712 -15.712 431 HG LEU 57 HG LEU 57 -4.142 -15.767 -15.767 432 1HD1 LEU 57 HD1 LEU 57 -3.579 -16.501 -16.501 433 2HD1 LEU 57 HD1 LEU 57 -2.479 -16.812 -16.812 434 3HD1 LEU 57 HD1 LEU 57 -2.884 -15.146 -15.146 435 1HD2 LEU 57 HD2 LEU 57 -5.745 -17.624 -17.624 436 2HD2 LEU 57 HD2 LEU 57 -4.116 -18.238 -18.238 437 3HD2 LEU 57 HD2 LEU 57 -5.333 -18.053 -18.053 438 H GLU 58 H GLU 58 -7.878 -13.971 -13.971 439 HA GLU 58 HA GLU 58 -7.126 -14.483 -14.483 440 1HB GLU 58 HB2 GLU 58 -9.505 -14.301 -14.301 441 2HB GLU 58 HB1 GLU 58 -9.540 -12.783 -12.783 442 1HG GLU 58 HG2 GLU 58 -9.085 -14.065 -14.065 443 2HG GLU 58 HG1 GLU 58 -9.068 -15.571 -15.571 444 H GLU 59 H GLU 59 -7.421 -11.407 -11.407 445 HA GLU 59 HA GLU 59 -7.168 -9.729 -9.729 446 1HB GLU 59 HB2 GLU 59 -8.065 -8.731 -8.731 447 2HB GLU 59 HB1 GLU 59 -6.705 -9.279 -9.279 448 1HG GLU 59 HG2 GLU 59 -5.547 -7.400 -7.400 449 2HG GLU 59 HG1 GLU 59 -5.728 -7.688 -7.688 450 H CYS 60 H CYS 60 -4.819 -11.069 -11.069 451 HA CYS 60 HA CYS 60 -2.565 -9.743 -9.743 452 1HB CYS 60 HB2 CYS 60 -2.514 -10.573 -10.573 453 2HB CYS 60 HB1 CYS 60 -2.804 -12.232 -12.232 454 HG CYS 60 HG CYS 60 -0.186 -12.572 -12.572 455 H LYS 61 H LYS 61 -4.386 -12.642 -12.642 456 HA LYS 61 HA LYS 61 -2.276 -13.690 -13.690 457 1HB LYS 61 HB2 LYS 61 -5.165 -14.500 -14.500 458 2HB LYS 61 HB1 LYS 61 -4.032 -15.347 -15.347 459 1HG LYS 61 HG2 LYS 61 -2.640 -15.066 -15.066 460 2HG LYS 61 HG1 LYS 61 -4.301 -15.451 -15.451 461 1HD LYS 61 HD2 LYS 61 -4.088 -17.599 -17.599 462 2HD LYS 61 HD1 LYS 61 -3.413 -17.101 -17.101 463 1HE LYS 61 HE2 LYS 61 -1.219 -16.656 -16.656 464 2HE LYS 61 HE1 LYS 61 -1.970 -17.600 -17.600 465 1HZ LYS 61 HZ1 LYS 61 -1.526 -18.521 -18.521 466 2HZ LYS 61 HZ3 LYS 61 -0.625 -18.955 -18.955 467 3HZ LYS 61 HZ2 LYS 61 -2.215 -19.418 -19.418 468 H ASN 62 H ASN 62 -5.442 -12.008 -12.008 469 HA ASN 62 HA ASN 62 -5.536 -11.976 -11.976 470 1HB ASN 62 HB2 ASN 62 -6.908 -10.713 -10.713 471 2HB ASN 62 HB1 ASN 62 -6.275 -9.384 -9.384 472 1HD2 ASN 62 HD2 ASN 62 -9.530 -9.983 -9.983 473 2HD2 ASN 62 HD2 ASN 62 -8.744 -9.209 -9.209 474 H ILE 63 H ILE 63 -4.041 -9.539 -9.539 475 HA ILE 63 HA ILE 63 -2.958 -8.015 -8.015 476 HB ILE 63 HB ILE 63 -2.799 -8.057 -8.057 477 1HG1 ILE 63 HG1 ILE 63 -3.000 -5.688 -5.688 478 2HG1 ILE 63 HG1 ILE 63 -4.394 -6.702 -6.702 479 1HG2 ILE 63 HG2 ILE 63 -0.675 -6.651 -6.651 480 2HG2 ILE 63 HG2 ILE 63 -0.970 -6.367 -6.367 481 3HG2 ILE 63 HG2 ILE 63 -0.416 -7.957 -7.957 482 1HD1 ILE 63 HD1 ILE 63 -2.635 -5.167 -5.167 483 2HD1 ILE 63 HD1 ILE 63 -4.270 -4.694 -4.694 484 3HD1 ILE 63 HD1 ILE 63 -4.038 -6.165 -6.165 485 H CYS 64 H CYS 64 -1.483 -10.349 -10.349 486 HA CYS 64 HA CYS 64 1.014 -10.332 -10.332 487 1HB CYS 64 HB2 CYS 64 0.135 -12.271 -12.271 488 2HB CYS 64 HB1 CYS 64 1.791 -11.918 -11.918 489 HG CYS 64 HG CYS 64 0.359 -10.667 -10.667 490 H GLU 65 H GLU 65 -0.681 -13.324 -13.324 491 HA GLU 65 HA GLU 65 0.105 -15.000 -15.000 492 1HB GLU 65 HB2 GLU 65 -2.345 -14.773 -14.773 493 2HB GLU 65 HB1 GLU 65 -2.597 -15.654 -15.654 494 1HG GLU 65 HG2 GLU 65 -0.101 -16.484 -16.484 495 2HG GLU 65 HG1 GLU 65 -1.413 -16.602 -16.602 496 H ASP 66 H ASP 66 -2.228 -12.344 -12.344 497 HA ASP 66 HA ASP 66 -2.527 -11.236 -11.236 498 1HB ASP 66 HB2 ASP 66 -1.857 -12.094 -12.094 499 2HB ASP 66 HB1 ASP 66 -0.756 -12.957 -12.957 500 H GLY 67 H GLY 67 -4.320 -11.398 -11.398 501 1HA GLY 67 HA1 GLY 67 -6.284 -13.524 -13.524 502 2HA GLY 67 HA2 GLY 67 -6.768 -12.020 -12.020 503 HA PRO 68 HA PRO 68 -8.056 -10.562 -10.562 504 1HB PRO 68 HB2 PRO 68 -7.959 -7.790 -7.790 505 2HB PRO 68 HB1 PRO 68 -9.284 -8.856 -8.856 506 1HG PRO 68 HG2 PRO 68 -7.137 -7.631 -7.631 507 2HG PRO 68 HG1 PRO 68 -8.680 -8.336 -8.336 508 1HD PRO 68 HD2 PRO 68 -6.075 -9.504 -9.504 509 2HD PRO 68 HD1 PRO 68 -7.637 -10.236 -10.236 510 H ASN 69 H ASN 69 -7.390 -8.192 -8.192 511 HA ASN 69 HA ASN 69 -5.839 -7.475 -7.475 512 1HB ASN 69 HB2 ASN 69 -4.110 -7.971 -7.971 513 2HB ASN 69 HB1 ASN 69 -3.383 -7.448 -7.448 514 1HD2 ASN 69 HD2 ASN 69 -5.205 -4.268 -4.268 515 2HD2 ASN 69 HD2 ASN 69 -4.863 -5.651 -5.651 516 H GLY 70 H GLY 70 -3.543 -9.704 -9.704 517 1HA GLY 70 HA1 GLY 70 -3.880 -12.005 -12.005 518 2HA GLY 70 HA2 GLY 70 -2.790 -10.944 -10.944 519 H PHE 71 H PHE 71 -1.541 -9.637 -9.637 520 HA PHE 71 HA PHE 71 0.732 -11.079 -11.079 521 1HB PHE 71 HB2 PHE 71 0.691 -9.916 -9.916 522 2HB PHE 71 HB1 PHE 71 0.678 -8.919 -8.919 523 HD1 PHE 71 HD1 PHE 71 -2.356 -10.710 -10.710 524 HD2 PHE 71 HD2 PHE 71 -0.269 -6.933 -6.933 525 HE1 PHE 71 HE1 PHE 71 -4.394 -9.520 -9.520 526 HE2 PHE 71 HE2 PHE 71 -2.312 -5.751 -5.751 527 HZ PHE 71 HZ PHE 71 -4.376 -7.041 -7.041 Start of MODEL 28 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 1.977 -0.956 -0.956 3 1HB ASP 1 HB2 ASP 1 0.664 1.403 1.403 4 2HB ASP 1 HB1 ASP 1 2.336 1.998 1.998 5 H TYR 2 H TYR 2 3.974 -1.817 -1.817 6 HA TYR 2 HA TYR 2 5.897 -0.721 -0.721 7 1HB TYR 2 HB1 TYR 2 7.550 -1.848 -1.848 8 2HB TYR 2 HB2 TYR 2 6.530 -2.813 -2.813 9 HD1 TYR 2 HD2 TYR 2 6.950 -1.600 -1.600 10 HD2 TYR 2 HD1 TYR 2 4.653 -4.130 -4.130 11 HE1 TYR 2 HE2 TYR 2 5.918 -2.717 -2.717 12 HE2 TYR 2 HE1 TYR 2 3.623 -5.245 -5.245 13 HH TYR 2 HH TYR 2 3.618 -5.448 -5.448 14 H LYS 3 H LYS 3 5.612 -0.121 -0.121 15 HA LYS 3 HA LYS 3 6.357 1.579 1.579 16 1HB LYS 3 HB2 LYS 3 5.256 2.767 2.767 17 2HB LYS 3 HB1 LYS 3 6.732 3.679 3.679 18 1HG LYS 3 HG2 LYS 3 4.599 2.987 2.987 19 2HG LYS 3 HG1 LYS 3 4.610 4.506 4.506 20 1HD LYS 3 HD2 LYS 3 6.562 5.271 5.271 21 2HD LYS 3 HD1 LYS 3 7.080 3.633 3.633 22 1HE LYS 3 HE2 LYS 3 4.497 4.658 4.658 23 2HE LYS 3 HE1 LYS 3 6.007 5.340 5.340 24 1HZ LYS 3 HZ1 LYS 3 5.332 2.466 2.466 25 2HZ LYS 3 HZ3 LYS 3 5.300 3.415 3.415 26 3HZ LYS 3 HZ2 LYS 3 6.741 3.096 3.096 27 H ASP 4 H ASP 4 8.239 -0.276 -0.276 28 HA ASP 4 HA ASP 4 10.684 0.813 0.813 29 1HB ASP 4 HB2 ASP 4 11.849 1.262 1.262 30 2HB ASP 4 HB1 ASP 4 10.433 2.326 2.326 31 H ASP 5 H ASP 5 11.333 -1.153 -1.153 32 HA ASP 5 HA ASP 5 11.203 -3.448 -3.448 33 1HB ASP 5 HB2 ASP 5 11.824 -4.622 -4.622 34 2HB ASP 5 HB1 ASP 5 10.147 -4.286 -4.286 35 H ASP 6 H ASP 6 13.141 -2.969 -2.969 36 HA ASP 6 HA ASP 6 15.423 -2.707 -2.707 37 1HB ASP 6 HB2 ASP 6 16.736 -4.498 -4.498 38 2HB ASP 6 HB1 ASP 6 15.463 -5.047 -5.047 39 H ASP 7 H ASP 7 14.283 -0.912 -0.912 40 HA ASP 7 HA ASP 7 15.001 0.550 0.550 41 1HB ASP 7 HB2 ASP 7 16.939 0.979 0.979 42 2HB ASP 7 HB1 ASP 7 17.639 -0.604 -0.604 43 H LYS 8 H LYS 8 15.563 0.671 0.671 44 HA LYS 8 HA LYS 8 16.228 -0.192 -0.192 45 1HB LYS 8 HB2 LYS 8 17.374 -2.129 -2.129 46 2HB LYS 8 HB1 LYS 8 17.499 -1.974 -1.974 47 1HG LYS 8 HG2 LYS 8 15.155 -3.289 -3.289 48 2HG LYS 8 HG1 LYS 8 15.831 -3.838 -3.838 49 1HD LYS 8 HD2 LYS 8 16.942 -4.212 -4.212 50 2HD LYS 8 HD1 LYS 8 16.508 -5.460 -5.460 51 1HE LYS 8 HE2 LYS 8 18.807 -3.464 -3.464 52 2HE LYS 8 HE1 LYS 8 18.967 -5.185 -5.185 53 1HZ LYS 8 HZ1 LYS 8 17.863 -4.094 -4.094 54 2HZ LYS 8 HZ3 LYS 8 19.381 -4.762 -4.762 55 3HZ LYS 8 HZ2 LYS 8 18.024 -5.706 -5.706 56 H LEU 9 H LEU 9 15.216 -2.325 -2.325 57 HA LEU 9 HA LEU 9 12.320 -2.203 -2.203 58 1HB LEU 9 HB2 LEU 9 13.474 -2.226 -2.226 59 2HB LEU 9 HB1 LEU 9 11.783 -1.992 -1.992 60 HG LEU 9 HG LEU 9 13.815 -0.093 -0.093 61 1HD1 LEU 9 HD1 LEU 9 12.866 -0.024 -0.024 62 2HD1 LEU 9 HD1 LEU 9 13.726 1.301 1.301 63 3HD1 LEU 9 HD1 LEU 9 14.530 -0.260 -0.260 64 1HD2 LEU 9 HD2 LEU 9 11.465 0.166 0.166 65 2HD2 LEU 9 HD2 LEU 9 11.971 1.555 1.555 66 3HD2 LEU 9 HD2 LEU 9 10.971 0.266 0.266 67 H LYS 10 H LYS 10 11.228 -4.136 -4.136 68 HA LYS 10 HA LYS 10 12.862 -6.498 -6.498 69 1HB LYS 10 HB2 LYS 10 11.354 -5.852 -5.852 70 2HB LYS 10 HB1 LYS 10 10.587 -7.249 -7.249 71 1HG LYS 10 HG2 LYS 10 13.278 -7.865 -7.865 72 2HG LYS 10 HG1 LYS 10 13.211 -7.011 -7.011 73 1HD LYS 10 HD2 LYS 10 10.967 -8.767 -8.767 74 2HD LYS 10 HD1 LYS 10 12.354 -9.703 -9.703 75 1HE LYS 10 HE2 LYS 10 12.669 -7.991 -7.991 76 2HE LYS 10 HE1 LYS 10 11.813 -9.540 -9.540 77 1HZ LYS 10 HZ1 LYS 10 14.535 -9.155 -9.155 78 2HZ LYS 10 HZ3 LYS 10 14.154 -9.763 -9.763 79 3HZ LYS 10 HZ2 LYS 10 13.749 -10.611 -10.611 80 HA PRO 11 HA PRO 11 10.095 -7.405 -7.405 81 1HB PRO 11 HB2 PRO 11 10.276 -10.223 -10.223 82 2HB PRO 11 HB1 PRO 11 11.480 -9.153 -9.153 83 1HG PRO 11 HG2 PRO 11 11.623 -10.707 -10.707 84 2HG PRO 11 HG1 PRO 11 12.923 -9.981 -9.981 85 1HD PRO 11 HD2 PRO 11 11.848 -9.016 -9.016 86 2HD PRO 11 HD1 PRO 11 13.072 -8.250 -8.250 87 H ASP 12 H ASP 12 8.044 -6.826 -6.826 88 HA ASP 12 HA ASP 12 6.462 -7.973 -7.973 89 1HB ASP 12 HB2 ASP 12 4.545 -7.061 -7.061 90 2HB ASP 12 HB1 ASP 12 5.706 -5.912 -5.912 91 H PHE 13 H PHE 13 7.097 -8.868 -8.868 92 HA PHE 13 HA PHE 13 4.909 -10.600 -10.600 93 1HB PHE 13 HB2 PHE 13 6.258 -11.512 -11.512 94 2HB PHE 13 HB1 PHE 13 6.707 -9.819 -9.819 95 HD1 PHE 13 HD1 PHE 13 7.816 -13.193 -13.193 96 HD2 PHE 13 HD2 PHE 13 8.959 -9.195 -9.195 97 HE1 PHE 13 HE1 PHE 13 10.211 -13.792 -13.792 98 HE2 PHE 13 HE2 PHE 13 11.353 -9.804 -9.804 99 HZ PHE 13 HZ PHE 13 11.983 -12.101 -12.101 100 H CYS 14 H CYS 14 7.666 -10.908 -10.908 101 HA CYS 14 HA CYS 14 7.641 -13.749 -13.749 102 1HB CYS 14 HB2 CYS 14 8.644 -11.541 -11.541 103 2HB CYS 14 HB1 CYS 14 8.700 -13.233 -13.233 104 HG CYS 14 HG CYS 14 10.113 -13.762 -13.762 105 H PHE 15 H PHE 15 5.899 -11.133 -11.133 106 HA PHE 15 HA PHE 15 4.544 -13.008 -13.008 107 1HB PHE 15 HB2 PHE 15 3.704 -10.171 -10.171 108 2HB PHE 15 HB1 PHE 15 3.662 -11.116 -11.116 109 HD1 PHE 15 HD1 PHE 15 6.173 -11.977 -11.977 110 HD2 PHE 15 HD2 PHE 15 5.269 -8.420 -8.420 111 HE1 PHE 15 HE1 PHE 15 8.300 -10.942 -10.942 112 HE2 PHE 15 HE2 PHE 15 7.399 -7.392 -7.392 113 HZ PHE 15 HZ PHE 15 8.917 -8.651 -8.651 114 H LEU 16 H LEU 16 4.332 -12.568 -12.568 115 HA LEU 16 HA LEU 16 1.459 -12.262 -12.262 116 1HB LEU 16 HB2 LEU 16 3.563 -11.819 -11.819 117 2HB LEU 16 HB1 LEU 16 2.913 -13.336 -13.336 118 HG LEU 16 HG LEU 16 1.007 -11.148 -11.148 119 1HD1 LEU 16 HD1 LEU 16 2.915 -11.005 -11.005 120 2HD1 LEU 16 HD1 LEU 16 1.451 -10.004 -10.004 121 3HD1 LEU 16 HD1 LEU 16 2.800 -9.855 -9.855 122 1HD2 LEU 16 HD2 LEU 16 0.200 -13.272 -13.272 123 2HD2 LEU 16 HD2 LEU 16 -0.052 -11.961 -11.961 124 3HD2 LEU 16 HD2 LEU 16 1.284 -13.110 -13.110 125 H GLU 17 H GLU 17 -0.089 -13.870 -13.870 126 HA GLU 17 HA GLU 17 0.280 -16.354 -16.354 127 1HB GLU 17 HB2 GLU 17 -1.639 -15.952 -15.952 128 2HB GLU 17 HB1 GLU 17 -1.831 -16.979 -16.979 129 1HG GLU 17 HG2 GLU 17 -1.610 -14.654 -14.654 130 2HG GLU 17 HG1 GLU 17 -2.115 -13.990 -13.990 131 H GLU 18 H GLU 18 0.474 -18.536 -18.536 132 HA GLU 18 HA GLU 18 2.536 -18.669 -18.669 133 1HB GLU 18 HB2 GLU 18 2.640 -20.948 -20.948 134 2HB GLU 18 HB1 GLU 18 1.974 -20.304 -20.304 135 1HG GLU 18 HG2 GLU 18 -0.323 -20.731 -20.731 136 2HG GLU 18 HG1 GLU 18 0.707 -22.007 -22.007 137 H ASP 19 H ASP 19 2.476 -19.425 -19.425 138 HA ASP 19 HA ASP 19 -0.231 -19.846 -19.846 139 1HB ASP 19 HB2 ASP 19 0.207 -17.552 -17.552 140 2HB ASP 19 HB1 ASP 19 1.908 -17.893 -17.893 141 HA PRO 20 HA PRO 20 2.492 -23.059 -23.059 142 1HB PRO 20 HB2 PRO 20 0.368 -24.871 -24.871 143 2HB PRO 20 HB1 PRO 20 1.265 -24.731 -24.731 144 1HG PRO 20 HG2 PRO 20 -1.455 -23.840 -23.840 145 2HG PRO 20 HG1 PRO 20 -0.701 -24.091 -24.091 146 1HD PRO 20 HD2 PRO 20 -1.217 -21.596 -21.596 147 2HD PRO 20 HD1 PRO 20 -0.370 -21.871 -21.871 148 H GLY 21 H GLY 21 -0.082 -21.279 -21.279 149 1HA GLY 21 HA1 GLY 21 -0.143 -20.552 -20.552 150 2HA GLY 21 HA2 GLY 21 1.053 -21.786 -21.786 151 H ILE 22 H ILE 22 0.147 -23.130 -23.130 152 HA ILE 22 HA ILE 22 -2.537 -24.198 -24.198 153 HB ILE 22 HB ILE 22 -1.859 -23.977 -23.977 154 1HG1 ILE 22 HG1 ILE 22 -2.629 -21.498 -21.498 155 2HG1 ILE 22 HG1 ILE 22 -1.031 -21.811 -21.811 156 1HG2 ILE 22 HG2 ILE 22 -4.377 -23.423 -23.423 157 2HG2 ILE 22 HG2 ILE 22 -4.267 -23.363 -23.363 158 3HG2 ILE 22 HG2 ILE 22 -4.005 -24.893 -24.893 159 1HD1 ILE 22 HD1 ILE 22 -3.657 -21.574 -21.574 160 2HD1 ILE 22 HD1 ILE 22 -2.382 -20.329 -20.329 161 3HD1 ILE 22 HD1 ILE 22 -2.060 -21.870 -21.870 162 H CYS 23 H CYS 23 0.083 -24.723 -24.723 163 HA CYS 23 HA CYS 23 -0.126 -27.323 -27.323 164 1HB CYS 23 HB2 CYS 23 2.549 -26.287 -26.287 165 2HB CYS 23 HB1 CYS 23 2.191 -27.482 -27.482 166 HG CYS 23 HG CYS 23 2.672 -24.236 -24.236 167 H ARG 24 H ARG 24 -1.201 -28.550 -28.550 168 HA ARG 24 HA ARG 24 -0.225 -28.753 -28.753 169 1HB ARG 24 HB2 ARG 24 -1.668 -30.899 -30.899 170 2HB ARG 24 HB1 ARG 24 -2.500 -29.358 -29.358 171 1HG ARG 24 HG2 ARG 24 -1.483 -30.526 -30.526 172 2HG ARG 24 HG1 ARG 24 -2.550 -31.657 -31.657 173 1HD ARG 24 HD2 ARG 24 -4.194 -29.670 -29.670 174 2HD ARG 24 HD1 ARG 24 -3.167 -28.836 -28.836 175 HE ARG 24 HE ARG 24 -4.020 -30.192 -30.192 176 1HH1 ARG 24 HH1 ARG 24 -4.706 -31.606 -31.606 177 2HH1 ARG 24 HH1 ARG 24 -5.745 -32.892 -32.892 178 1HH2 ARG 24 HH2 ARG 24 -5.395 -31.891 -31.891 179 2HH2 ARG 24 HH2 ARG 24 -6.138 -33.055 -33.055 180 H GLY 25 H GLY 25 2.128 -28.988 -28.988 181 1HA GLY 25 HA1 GLY 25 2.747 -31.838 -31.838 182 2HA GLY 25 HA2 GLY 25 3.822 -30.450 -30.450 183 H TYR 26 H TYR 26 3.026 -29.275 -29.275 184 HA TYR 26 HA TYR 26 3.865 -29.370 -29.370 185 1HB TYR 26 HB1 TYR 26 3.491 -32.353 -32.353 186 2HB TYR 26 HB2 TYR 26 3.996 -31.715 -31.715 187 HD1 TYR 26 HD2 TYR 26 1.928 -29.192 -29.192 188 HD2 TYR 26 HD1 TYR 26 1.684 -33.285 -33.285 189 HE1 TYR 26 HE2 TYR 26 -0.435 -28.829 -28.829 190 HE2 TYR 26 HE1 TYR 26 -0.677 -32.921 -32.921 191 HH TYR 26 HH TYR 26 -2.457 -31.438 -31.438 192 H ILE 27 H ILE 27 5.892 -28.540 -28.540 193 HA ILE 27 HA ILE 27 8.076 -30.415 -30.415 194 HB ILE 27 HB ILE 27 8.243 -27.455 -27.455 195 1HG1 ILE 27 HG1 ILE 27 8.012 -28.728 -28.728 196 2HG1 ILE 27 HG1 ILE 27 6.651 -29.261 -29.261 197 1HG2 ILE 27 HG2 ILE 27 9.869 -29.755 -29.755 198 2HG2 ILE 27 HG2 ILE 27 10.093 -28.032 -28.032 199 3HG2 ILE 27 HG2 ILE 27 10.388 -28.604 -28.604 200 1HD1 ILE 27 HD1 ILE 27 7.478 -26.356 -26.356 201 2HD1 ILE 27 HD1 ILE 27 6.094 -27.197 -27.197 202 3HD1 ILE 27 HD1 ILE 27 6.104 -26.879 -26.879 203 H THR 28 H THR 28 6.613 -29.741 -29.741 204 HA THR 28 HA THR 28 7.083 -29.093 -29.093 205 HB THR 28 HB THR 28 9.621 -30.608 -30.608 206 HG1 THR 28 HG1 THR 28 7.212 -31.279 -31.279 207 1HG2 THR 28 HG2 THR 28 8.572 -29.540 -29.540 208 2HG2 THR 28 HG2 THR 28 9.178 -31.208 -31.208 209 3HG2 THR 28 HG2 THR 28 10.263 -29.873 -29.873 210 H ARG 29 H ARG 29 6.969 -26.776 -26.776 211 HA ARG 29 HA ARG 29 9.651 -25.492 -25.492 212 1HB ARG 29 HB2 ARG 29 6.867 -24.442 -24.442 213 2HB ARG 29 HB1 ARG 29 8.305 -23.407 -23.407 214 1HG ARG 29 HG2 ARG 29 7.912 -25.788 -25.788 215 2HG ARG 29 HG1 ARG 29 7.824 -24.078 -24.078 216 1HD ARG 29 HD2 ARG 29 10.231 -23.853 -23.853 217 2HD ARG 29 HD1 ARG 29 10.259 -25.620 -25.620 218 HE ARG 29 HE ARG 29 9.502 -24.382 -24.382 219 1HH1 ARG 29 HH1 ARG 29 11.762 -26.259 -26.259 220 2HH1 ARG 29 HH1 ARG 29 12.702 -26.862 -26.862 221 1HH2 ARG 29 HH2 ARG 29 10.735 -25.169 -25.169 222 2HH2 ARG 29 HH2 ARG 29 12.116 -26.239 -26.239 223 H TYR 30 H TYR 30 9.642 -23.248 -23.248 224 HA TYR 30 HA TYR 30 8.227 -23.744 -23.744 225 1HB TYR 30 HB1 TYR 30 11.019 -22.562 -22.562 226 2HB TYR 30 HB2 TYR 30 10.202 -22.790 -22.790 227 HD1 TYR 30 HD1 TYR 30 11.147 -24.909 -24.909 228 HD2 TYR 30 HD2 TYR 30 10.783 -24.623 -24.623 229 HE1 TYR 30 HE1 TYR 30 12.098 -27.187 -27.187 230 HE2 TYR 30 HE2 TYR 30 11.735 -26.902 -26.902 231 HH TYR 30 HH TYR 30 12.707 -28.879 -28.879 232 H PHE 31 H PHE 31 7.841 -21.739 -21.739 233 HA PHE 31 HA PHE 31 7.909 -19.160 -19.160 234 1HB PHE 31 HB2 PHE 31 5.649 -18.869 -18.869 235 2HB PHE 31 HB1 PHE 31 5.898 -20.528 -20.528 236 HD1 PHE 31 HD2 PHE 31 5.550 -22.396 -22.396 237 HD2 PHE 31 HD1 PHE 31 3.834 -18.428 -18.428 238 HE1 PHE 31 HE2 PHE 31 3.783 -23.188 -23.188 239 HE2 PHE 31 HE1 PHE 31 2.072 -19.229 -19.229 240 HZ PHE 31 HZ PHE 31 2.043 -21.608 -21.608 241 H TYR 32 H TYR 32 7.466 -17.387 -17.387 242 HA TYR 32 HA TYR 32 7.868 -18.168 -18.168 243 1HB TYR 32 HB1 TYR 32 9.049 -16.219 -16.219 244 2HB TYR 32 HB2 TYR 32 7.514 -15.369 -15.369 245 HD1 TYR 32 HD2 TYR 32 6.497 -14.601 -14.601 246 HD2 TYR 32 HD1 TYR 32 10.397 -16.464 -16.464 247 HE1 TYR 32 HE2 TYR 32 6.974 -13.740 -13.740 248 HE2 TYR 32 HE1 TYR 32 10.872 -15.603 -15.603 249 HH TYR 32 HH TYR 32 9.627 -13.267 -13.267 250 H ASN 33 H ASN 33 5.992 -19.122 -19.122 251 HA ASN 33 HA ASN 33 3.407 -17.817 -17.817 252 1HB ASN 33 HB2 ASN 33 3.977 -20.400 -20.400 253 2HB ASN 33 HB1 ASN 33 3.872 -19.999 -19.999 254 1HD2 ASN 33 HD2 ASN 33 0.522 -21.170 -21.170 255 2HD2 ASN 33 HD2 ASN 33 2.160 -21.805 -21.805 256 H ASN 34 H ASN 34 2.599 -16.210 -16.210 257 HA ASN 34 HA ASN 34 3.995 -15.293 -15.293 258 1HB ASN 34 HB2 ASN 34 1.871 -13.878 -13.878 259 2HB ASN 34 HB1 ASN 34 2.748 -13.661 -13.661 260 1HD2 ASN 34 HD2 ASN 34 1.205 -13.141 -13.141 261 2HD2 ASN 34 HD2 ASN 34 -0.225 -14.110 -14.110 262 H GLN 35 H GLN 35 1.429 -17.622 -17.622 263 HA GLN 35 HA GLN 35 0.037 -17.606 -17.606 264 1HB GLN 35 HB2 GLN 35 -0.118 -19.152 -19.152 265 2HB GLN 35 HB1 GLN 35 0.848 -20.259 -20.259 266 1HG GLN 35 HG2 GLN 35 -0.878 -20.052 -20.052 267 2HG GLN 35 HG1 GLN 35 -1.846 -19.028 -19.028 268 1HE2 GLN 35 HE2 GLN 35 -1.235 -23.041 -23.041 269 2HE2 GLN 35 HE2 GLN 35 0.020 -22.072 -22.072 270 H THR 36 H THR 36 3.251 -19.033 -19.033 271 HA THR 36 HA THR 36 3.548 -19.622 -19.622 272 HB THR 36 HB THR 36 5.350 -21.277 -21.277 273 HG1 THR 36 HG1 THR 36 5.656 -20.232 -20.232 274 1HG2 THR 36 HG2 THR 36 2.399 -21.410 -21.410 275 2HG2 THR 36 HG2 THR 36 3.474 -22.601 -22.601 276 3HG2 THR 36 HG2 THR 36 3.352 -22.531 -22.531 277 H LYS 37 H LYS 37 4.331 -17.438 -17.438 278 HA LYS 37 HA LYS 37 5.806 -15.749 -15.749 279 1HB LYS 37 HB2 LYS 37 6.187 -16.367 -16.367 280 2HB LYS 37 HB1 LYS 37 6.970 -14.998 -14.998 281 1HG LYS 37 HG2 LYS 37 5.081 -13.801 -13.801 282 2HG LYS 37 HG1 LYS 37 4.226 -14.942 -14.942 283 1HD LYS 37 HD2 LYS 37 3.063 -14.801 -14.801 284 2HD LYS 37 HD1 LYS 37 3.814 -16.403 -16.403 285 1HE LYS 37 HE2 LYS 37 5.835 -15.030 -15.030 286 2HE LYS 37 HE1 LYS 37 4.440 -14.134 -14.134 287 1HZ LYS 37 HZ1 LYS 37 4.825 -17.062 -17.062 288 2HZ LYS 37 HZ3 LYS 37 5.032 -15.982 -15.982 289 3HZ LYS 37 HZ2 LYS 37 3.523 -16.230 -16.230 290 H GLN 38 H GLN 38 6.645 -17.986 -17.986 291 HA GLN 38 HA GLN 38 9.463 -17.692 -17.692 292 1HB GLN 38 HB2 GLN 38 8.451 -19.650 -19.650 293 2HB GLN 38 HB1 GLN 38 9.420 -20.438 -20.438 294 1HG GLN 38 HG2 GLN 38 11.215 -19.810 -19.810 295 2HG GLN 38 HG1 GLN 38 10.920 -18.182 -18.182 296 1HE2 GLN 38 HE2 GLN 38 9.455 -20.357 -20.357 297 2HE2 GLN 38 HE2 GLN 38 9.406 -19.193 -19.193 298 H CYS 39 H CYS 39 10.373 -19.926 -19.926 299 HA CYS 39 HA CYS 39 8.738 -19.926 -19.926 300 1HB CYS 39 HB2 CYS 39 11.430 -21.120 -21.120 301 2HB CYS 39 HB1 CYS 39 10.631 -21.289 -21.289 302 HG CYS 39 HG CYS 39 10.488 -18.192 -18.192 303 H GLU 40 H GLU 40 7.346 -21.513 -21.513 304 HA GLU 40 HA GLU 40 7.525 -24.069 -24.069 305 1HB GLU 40 HB2 GLU 40 4.945 -22.876 -22.876 306 2HB GLU 40 HB1 GLU 40 5.142 -24.244 -24.244 307 1HG GLU 40 HG2 GLU 40 6.435 -22.341 -22.341 308 2HG GLU 40 HG1 GLU 40 5.332 -21.295 -21.295 309 H ARG 41 H ARG 41 7.160 -26.004 -26.004 310 HA ARG 41 HA ARG 41 7.768 -25.755 -25.755 311 1HB ARG 41 HB2 ARG 41 8.017 -27.774 -27.774 312 2HB ARG 41 HB1 ARG 41 6.982 -28.434 -28.434 313 1HG ARG 41 HG2 ARG 41 8.668 -28.229 -28.229 314 2HG ARG 41 HG1 ARG 41 9.536 -26.982 -26.982 315 1HD ARG 41 HD2 ARG 41 10.678 -28.536 -28.536 316 2HD ARG 41 HD1 ARG 41 9.283 -29.629 -29.629 317 HE ARG 41 HE ARG 41 10.453 -29.420 -29.420 318 1HH1 ARG 41 HH1 ARG 41 10.611 -31.043 -31.043 319 2HH1 ARG 41 HH1 ARG 41 11.406 -32.497 -32.497 320 1HH2 ARG 41 HH2 ARG 41 11.507 -31.339 -31.339 321 2HH2 ARG 41 HH2 ARG 41 11.918 -32.665 -32.665 322 H PHE 42 H PHE 42 6.261 -25.412 -25.412 323 HA PHE 42 HA PHE 42 3.530 -26.629 -26.629 324 1HB PHE 42 HB2 PHE 42 2.467 -24.671 -24.671 325 2HB PHE 42 HB1 PHE 42 3.828 -24.062 -24.062 326 HD1 PHE 42 HD2 PHE 42 5.980 -23.344 -23.344 327 HD2 PHE 42 HD1 PHE 42 2.028 -23.736 -23.736 328 HE1 PHE 42 HE2 PHE 42 6.640 -21.856 -21.856 329 HE2 PHE 42 HE1 PHE 42 2.697 -22.248 -22.248 330 HZ PHE 42 HZ PHE 42 5.002 -21.305 -21.305 331 H LYS 43 H LYS 43 2.526 -27.343 -27.343 332 HA LYS 43 HA LYS 43 4.298 -28.276 -28.276 333 1HB LYS 43 HB2 LYS 43 1.536 -28.566 -28.566 334 2HB LYS 43 HB1 LYS 43 1.659 -28.256 -28.256 335 1HG LYS 43 HG2 LYS 43 1.835 -30.630 -30.630 336 2HG LYS 43 HG1 LYS 43 3.483 -30.054 -30.054 337 1HD LYS 43 HD2 LYS 43 3.890 -31.416 -31.416 338 2HD LYS 43 HD1 LYS 43 3.543 -29.893 -29.893 339 1HE LYS 43 HE2 LYS 43 1.288 -30.590 -30.590 340 2HE LYS 43 HE1 LYS 43 1.400 -31.963 -31.963 341 1HZ LYS 43 HZ1 LYS 43 2.963 -31.623 -31.623 342 2HZ LYS 43 HZ3 LYS 43 1.650 -32.635 -32.635 343 3HZ LYS 43 HZ2 LYS 43 3.063 -32.919 -32.919 344 H TYR 44 H TYR 44 4.118 -27.756 -27.756 345 HA TYR 44 HA TYR 44 3.473 -24.865 -24.865 346 1HB TYR 44 HB1 TYR 44 5.877 -24.932 -24.932 347 2HB TYR 44 HB2 TYR 44 6.036 -26.318 -26.318 348 HD1 TYR 44 HD2 TYR 44 3.761 -23.585 -23.585 349 HD2 TYR 44 HD1 TYR 44 7.770 -25.163 -25.163 350 HE1 TYR 44 HE2 TYR 44 4.174 -22.094 -22.094 351 HE2 TYR 44 HE1 TYR 44 8.181 -23.673 -23.673 352 HH TYR 44 HH TYR 44 7.209 -21.409 -21.409 353 H GLY 45 H GLY 45 1.520 -26.454 -26.454 354 1HA GLY 45 HA1 GLY 45 1.758 -27.788 -27.788 355 2HA GLY 45 HA2 GLY 45 0.253 -27.271 -27.271 356 H GLY 46 H GLY 46 3.148 -25.915 -25.915 357 1HA GLY 46 HA1 GLY 46 1.549 -24.524 -24.524 358 2HA GLY 46 HA2 GLY 46 2.097 -23.403 -23.403 359 H CYS 47 H CYS 47 3.008 -22.974 -22.974 360 HA CYS 47 HA CYS 47 5.738 -24.136 -24.136 361 1HB CYS 47 HB2 CYS 47 4.058 -22.988 -22.988 362 2HB CYS 47 HB1 CYS 47 5.795 -23.311 -23.311 363 HG CYS 47 HG CYS 47 3.949 -25.944 -25.944 364 H LEU 48 H LEU 48 3.908 -21.365 -21.365 365 HA LEU 48 HA LEU 48 6.219 -19.863 -19.863 366 1HB LEU 48 HB2 LEU 48 6.003 -19.740 -19.740 367 2HB LEU 48 HB1 LEU 48 4.731 -18.554 -18.554 368 HG LEU 48 HG LEU 48 7.034 -17.944 -17.944 369 1HD1 LEU 48 HD1 LEU 48 7.653 -18.296 -18.296 370 2HD1 LEU 48 HD1 LEU 48 8.689 -17.436 -17.436 371 3HD1 LEU 48 HD1 LEU 48 8.389 -19.176 -19.176 372 1HD2 LEU 48 HD2 LEU 48 5.335 -16.306 -16.306 373 2HD2 LEU 48 HD2 LEU 48 6.941 -15.781 -15.781 374 3HD2 LEU 48 HD2 LEU 48 5.778 -16.498 -16.498 375 H GLY 49 H GLY 49 4.729 -20.228 -20.228 376 1HA GLY 49 HA1 GLY 49 2.181 -18.856 -18.856 377 2HA GLY 49 HA2 GLY 49 3.085 -19.520 -19.520 378 H ASN 50 H ASN 50 3.150 -17.826 -17.826 379 HA ASN 50 HA ASN 50 3.676 -15.097 -15.097 380 1HB ASN 50 HB2 ASN 50 3.353 -14.447 -14.447 381 2HB ASN 50 HB1 ASN 50 2.079 -15.612 -15.612 382 1HD2 ASN 50 HD2 ASN 50 3.093 -16.831 -16.831 383 2HD2 ASN 50 HD2 ASN 50 2.069 -15.641 -15.641 384 H MET 51 H MET 51 5.220 -14.053 -14.053 385 HA MET 51 HA MET 51 7.868 -15.050 -15.050 386 1HB MET 51 HB2 MET 51 7.341 -12.930 -12.930 387 2HB MET 51 HB1 MET 51 8.696 -13.065 -13.065 388 1HG MET 51 HG2 MET 51 6.406 -12.875 -12.875 389 2HG MET 51 HG1 MET 51 6.103 -11.726 -11.726 390 1HE MET 51 HE1 MET 51 9.303 -11.221 -11.221 391 2HE MET 51 HE3 MET 51 9.573 -9.688 -9.688 392 3HE MET 51 HE2 MET 51 8.081 -9.935 -9.935 393 H ASN 52 H ASN 52 5.648 -15.128 -15.128 394 HA ASN 52 HA ASN 52 7.663 -16.118 -16.118 395 1HB ASN 52 HB2 ASN 52 5.317 -14.918 -14.918 396 2HB ASN 52 HB1 ASN 52 4.698 -16.579 -16.579 397 1HD2 ASN 52 HD2 ASN 52 5.297 -16.904 -16.904 398 2HD2 ASN 52 HD2 ASN 52 4.164 -16.912 -16.912 399 H ASN 53 H ASN 53 8.179 -17.717 -17.717 400 HA ASN 53 HA ASN 53 7.027 -20.313 -20.313 401 1HB ASN 53 HB2 ASN 53 5.699 -19.746 -19.746 402 2HB ASN 53 HB1 ASN 53 7.162 -19.283 -19.283 403 1HD2 ASN 53 HD2 ASN 53 7.790 -22.472 -22.472 404 2HD2 ASN 53 HD2 ASN 53 8.019 -20.722 -20.722 405 H PHE 54 H PHE 54 9.367 -19.737 -19.737 406 HA PHE 54 HA PHE 54 11.682 -19.996 -19.996 407 1HB PHE 54 HB2 PHE 54 11.378 -20.752 -20.752 408 2HB PHE 54 HB1 PHE 54 12.865 -20.384 -20.384 409 HD1 PHE 54 HD1 PHE 54 9.791 -18.895 -18.895 410 HD2 PHE 54 HD2 PHE 54 13.549 -18.096 -18.096 411 HE1 PHE 54 HE1 PHE 54 9.608 -16.494 -16.494 412 HE2 PHE 54 HE2 PHE 54 13.357 -15.695 -15.695 413 HZ PHE 54 HZ PHE 54 11.388 -14.891 -14.891 414 H GLU 55 H GLU 55 13.249 -21.918 -21.918 415 HA GLU 55 HA GLU 55 11.662 -24.390 -24.390 416 1HB GLU 55 HB2 GLU 55 14.540 -23.912 -23.912 417 2HB GLU 55 HB1 GLU 55 13.469 -25.236 -25.236 418 1HG GLU 55 HG2 GLU 55 11.954 -23.477 -23.477 419 2HG GLU 55 HG1 GLU 55 13.212 -22.277 -22.277 420 H THR 56 H THR 56 14.144 -22.801 -22.801 421 HA THR 56 HA THR 56 14.348 -25.288 -25.288 422 HB THR 56 HB THR 56 16.786 -24.240 -24.240 423 HG1 THR 56 HG1 THR 56 17.167 -22.659 -22.659 424 1HG2 THR 56 HG2 THR 56 15.748 -25.802 -25.802 425 2HG2 THR 56 HG2 THR 56 17.399 -25.159 -25.159 426 3HG2 THR 56 HG2 THR 56 16.975 -26.296 -26.296 427 H LEU 57 H LEU 57 14.357 -24.992 -24.992 428 HA LEU 57 HA LEU 57 12.822 -22.824 -22.824 429 1HB LEU 57 HB2 LEU 57 12.934 -24.996 -24.996 430 2HB LEU 57 HB1 LEU 57 14.616 -24.688 -24.688 431 HG LEU 57 HG LEU 57 13.410 -22.558 -22.558 432 1HD1 LEU 57 HD1 LEU 57 11.312 -24.762 -24.762 433 2HD1 LEU 57 HD1 LEU 57 11.297 -23.268 -23.268 434 3HD1 LEU 57 HD1 LEU 57 11.148 -23.181 -23.181 435 1HD2 LEU 57 HD2 LEU 57 14.921 -24.081 -24.081 436 2HD2 LEU 57 HD2 LEU 57 13.466 -23.775 -23.775 437 3HD2 LEU 57 HD2 LEU 57 13.643 -25.308 -25.308 438 H GLU 58 H GLU 58 16.374 -23.474 -23.474 439 HA GLU 58 HA GLU 58 17.059 -21.176 -21.176 440 1HB GLU 58 HB2 GLU 58 18.470 -23.246 -23.246 441 2HB GLU 58 HB1 GLU 58 18.910 -21.998 -21.998 442 1HG GLU 58 HG2 GLU 58 19.616 -20.510 -20.510 443 2HG GLU 58 HG1 GLU 58 19.172 -21.770 -21.770 444 H GLU 59 H GLU 59 16.852 -21.638 -21.638 445 HA GLU 59 HA GLU 59 17.592 -19.053 -19.053 446 1HB GLU 59 HB2 GLU 59 17.374 -20.697 -20.697 447 2HB GLU 59 HB1 GLU 59 15.685 -21.029 -21.029 448 1HG GLU 59 HG2 GLU 59 14.993 -19.433 -19.433 449 2HG GLU 59 HG1 GLU 59 15.965 -18.218 -18.218 450 H CYS 60 H CYS 60 14.349 -20.349 -20.349 451 HA CYS 60 HA CYS 60 12.978 -17.900 -17.900 452 1HB CYS 60 HB2 CYS 60 11.705 -19.865 -19.865 453 2HB CYS 60 HB1 CYS 60 12.378 -20.346 -20.346 454 HG CYS 60 HG CYS 60 9.713 -18.374 -18.374 455 H LYS 61 H LYS 61 15.004 -19.101 -19.101 456 HA LYS 61 HA LYS 61 14.026 -17.180 -17.180 457 1HB LYS 61 HB2 LYS 61 16.560 -18.836 -18.836 458 2HB LYS 61 HB1 LYS 61 15.757 -18.027 -18.027 459 1HG LYS 61 HG2 LYS 61 13.748 -19.593 -19.593 460 2HG LYS 61 HG1 LYS 61 15.196 -20.618 -20.618 461 1HD LYS 61 HD2 LYS 61 14.946 -21.055 -21.055 462 2HD LYS 61 HD1 LYS 61 15.076 -19.323 -19.323 463 1HE LYS 61 HE2 LYS 61 12.918 -19.447 -19.447 464 2HE LYS 61 HE1 LYS 61 12.479 -19.612 -19.612 465 1HZ LYS 61 HZ1 LYS 61 13.111 -21.831 -21.831 466 2HZ LYS 61 HZ3 LYS 61 11.586 -21.381 -21.381 467 3HZ LYS 61 HZ2 LYS 61 12.685 -21.996 -21.996 468 H ASN 62 H ASN 62 17.039 -17.560 -17.560 469 HA ASN 62 HA ASN 62 18.355 -15.222 -15.222 470 1HB ASN 62 HB2 ASN 62 18.654 -17.159 -17.159 471 2HB ASN 62 HB1 ASN 62 18.440 -15.640 -15.640 472 1HD2 ASN 62 HD2 ASN 62 21.471 -14.132 -14.132 473 2HD2 ASN 62 HD2 ASN 62 19.839 -13.877 -13.877 474 H ILE 63 H ILE 63 15.922 -15.662 -15.662 475 HA ILE 63 HA ILE 63 15.918 -12.879 -12.879 476 HB ILE 63 HB ILE 63 14.243 -15.232 -15.232 477 1HG1 ILE 63 HG1 ILE 63 16.430 -14.839 -14.839 478 2HG1 ILE 63 HG1 ILE 63 15.069 -14.850 -14.850 479 1HG2 ILE 63 HG2 ILE 63 13.585 -12.367 -12.367 480 2HG2 ILE 63 HG2 ILE 63 12.850 -13.827 -13.827 481 3HG2 ILE 63 HG2 ILE 63 12.595 -13.450 -13.450 482 1HD1 ILE 63 HD1 ILE 63 16.410 -12.356 -12.356 483 2HD1 ILE 63 HD1 ILE 63 16.638 -12.997 -12.997 484 3HD1 ILE 63 HD1 ILE 63 15.060 -12.356 -12.356 485 H CYS 64 H CYS 64 13.539 -14.987 -14.987 486 HA CYS 64 HA CYS 64 12.064 -12.652 -12.652 487 1HB CYS 64 HB2 CYS 64 11.803 -15.469 -15.469 488 2HB CYS 64 HB1 CYS 64 10.600 -14.164 -14.164 489 HG CYS 64 HG CYS 64 9.464 -14.750 -14.750 490 H GLU 65 H GLU 65 13.073 -15.328 -15.328 491 HA GLU 65 HA GLU 65 13.331 -13.979 -13.979 492 1HB GLU 65 HB2 GLU 65 14.984 -16.208 -16.208 493 2HB GLU 65 HB1 GLU 65 15.484 -15.487 -15.487 494 1HG GLU 65 HG2 GLU 65 12.852 -15.811 -15.811 495 2HG GLU 65 HG1 GLU 65 13.052 -17.106 -17.106 496 H ASP 66 H ASP 66 15.531 -13.728 -13.728 497 HA ASP 66 HA ASP 66 16.828 -11.816 -11.816 498 1HB ASP 66 HB2 ASP 66 17.188 -10.130 -10.130 499 2HB ASP 66 HB1 ASP 66 15.702 -10.832 -10.832 500 H GLY 67 H GLY 67 17.403 -14.091 -14.091 501 1HA GLY 67 HA1 GLY 67 19.356 -15.613 -15.613 502 2HA GLY 67 HA2 GLY 67 20.307 -14.142 -14.142 503 HA PRO 68 HA PRO 68 20.219 -15.268 -15.268 504 1HB PRO 68 HB2 PRO 68 22.791 -16.426 -16.426 505 2HB PRO 68 HB1 PRO 68 21.287 -17.355 -17.355 506 1HG PRO 68 HG2 PRO 68 23.385 -16.813 -16.813 507 2HG PRO 68 HG1 PRO 68 22.115 -18.053 -18.053 508 1HD PRO 68 HD2 PRO 68 22.180 -15.640 -15.640 509 2HD PRO 68 HD1 PRO 68 20.873 -16.837 -16.837 510 H ASN 69 H ASN 69 20.562 -13.521 -13.521 511 HA ASN 69 HA ASN 69 21.382 -11.386 -11.386 512 1HB ASN 69 HB2 ASN 69 24.041 -12.875 -12.875 513 2HB ASN 69 HB1 ASN 69 23.579 -11.460 -11.460 514 1HD2 ASN 69 HD2 ASN 69 21.720 -13.233 -13.233 515 2HD2 ASN 69 HD2 ASN 69 22.018 -11.680 -11.680 516 H GLY 70 H GLY 70 21.058 -10.273 -10.273 517 1HA GLY 70 HA1 GLY 70 22.218 -8.694 -8.694 518 2HA GLY 70 HA2 GLY 70 23.593 -9.810 -9.810 519 H PHE 71 H PHE 71 23.763 -10.872 -10.872 520 HA PHE 71 HA PHE 71 21.312 -11.900 -11.900 521 1HB PHE 71 HB2 PHE 71 22.902 -9.568 -9.568 522 2HB PHE 71 HB1 PHE 71 22.625 -10.809 -10.809 523 HD1 PHE 71 HD2 PHE 71 20.297 -11.462 -11.462 524 HD2 PHE 71 HD1 PHE 71 21.063 -8.125 -8.125 525 HE1 PHE 71 HE2 PHE 71 18.012 -10.586 -10.586 526 HE2 PHE 71 HE1 PHE 71 18.777 -7.258 -7.258 527 HZ PHE 71 HZ PHE 71 17.249 -8.484 -8.484 Start of MODEL 29 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 2.864 0.791 0.791 3 1HB ASP 1 HB2 ASP 1 1.989 -2.098 -2.098 4 2HB ASP 1 HB1 ASP 1 3.284 -1.301 -1.301 5 H TYR 2 H TYR 2 2.552 1.531 1.531 6 HA TYR 2 HA TYR 2 0.478 0.472 0.472 7 1HB TYR 2 HB1 TYR 2 -0.756 2.875 2.875 8 2HB TYR 2 HB2 TYR 2 -1.269 1.495 1.495 9 HD1 TYR 2 HD2 TYR 2 0.913 4.555 4.555 10 HD2 TYR 2 HD1 TYR 2 -1.388 1.603 1.603 11 HE1 TYR 2 HE2 TYR 2 1.225 5.846 5.846 12 HE2 TYR 2 HE1 TYR 2 -1.075 2.895 2.895 13 HH TYR 2 HH TYR 2 0.852 4.744 4.744 14 H LYS 3 H LYS 3 0.177 1.885 1.885 15 HA LYS 3 HA LYS 3 1.103 2.988 2.988 16 1HB LYS 3 HB2 LYS 3 2.875 4.545 4.545 17 2HB LYS 3 HB1 LYS 3 2.157 5.053 5.053 18 1HG LYS 3 HG2 LYS 3 0.723 4.536 4.536 19 2HG LYS 3 HG1 LYS 3 0.928 6.099 6.099 20 1HD LYS 3 HD2 LYS 3 -0.609 3.713 3.713 21 2HD LYS 3 HD1 LYS 3 -1.354 5.107 5.107 22 1HE LYS 3 HE2 LYS 3 0.419 6.093 6.093 23 2HE LYS 3 HE1 LYS 3 -0.579 4.815 4.815 24 1HZ LYS 3 HZ1 LYS 3 -1.581 7.144 7.144 25 2HZ LYS 3 HZ3 LYS 3 -1.622 6.960 6.960 26 3HZ LYS 3 HZ2 LYS 3 -2.523 5.962 5.962 27 H ASP 4 H ASP 4 3.055 3.063 3.063 28 HA ASP 4 HA ASP 4 5.067 1.060 1.060 29 1HB ASP 4 HB2 ASP 4 4.075 0.176 0.176 30 2HB ASP 4 HB1 ASP 4 3.865 1.774 1.774 31 H ASP 5 H ASP 5 5.030 3.549 3.549 32 HA ASP 5 HA ASP 5 6.331 5.470 5.470 33 1HB ASP 5 HB2 ASP 5 6.567 5.082 5.082 34 2HB ASP 5 HB1 ASP 5 8.224 4.709 4.709 35 H ASP 6 H ASP 6 7.391 5.047 5.047 36 HA ASP 6 HA ASP 6 9.033 2.834 2.834 37 1HB ASP 6 HB2 ASP 6 9.328 5.653 5.653 38 2HB ASP 6 HB1 ASP 6 9.978 4.173 4.173 39 H ASP 7 H ASP 7 9.700 5.832 5.832 40 HA ASP 7 HA ASP 7 12.555 5.774 5.774 41 1HB ASP 7 HB2 ASP 7 10.695 6.786 6.786 42 2HB ASP 7 HB1 ASP 7 12.443 7.090 7.090 43 H LYS 8 H LYS 8 13.026 3.461 3.461 44 HA LYS 8 HA LYS 8 13.314 2.772 2.772 45 1HB LYS 8 HB2 LYS 8 12.643 0.327 0.327 46 2HB LYS 8 HB1 LYS 8 11.455 1.490 1.490 47 1HG LYS 8 HG2 LYS 8 10.545 1.869 1.869 48 2HG LYS 8 HG1 LYS 8 12.086 1.590 1.590 49 1HD LYS 8 HD2 LYS 8 11.083 -0.380 -0.380 50 2HD LYS 8 HD1 LYS 8 11.619 -0.901 -0.901 51 1HE LYS 8 HE2 LYS 8 9.209 0.370 0.370 52 2HE LYS 8 HE1 LYS 8 8.892 -0.384 -0.384 53 1HZ LYS 8 HZ1 LYS 8 9.939 -1.758 -1.758 54 2HZ LYS 8 HZ3 LYS 8 8.375 -1.844 -1.844 55 3HZ LYS 8 HZ2 LYS 8 9.630 -2.476 -2.476 56 H LEU 9 H LEU 9 13.739 0.530 0.530 57 HA LEU 9 HA LEU 9 15.584 -0.262 -0.262 58 1HB LEU 9 HB2 LEU 9 16.107 2.335 2.335 59 2HB LEU 9 HB1 LEU 9 17.433 1.742 1.742 60 HG LEU 9 HG LEU 9 17.746 0.089 0.089 61 1HD1 LEU 9 HD1 LEU 9 16.469 2.514 2.514 62 2HD1 LEU 9 HD1 LEU 9 17.353 1.220 1.220 63 3HD1 LEU 9 HD1 LEU 9 15.847 0.852 0.852 64 1HD2 LEU 9 HD2 LEU 9 19.487 1.604 1.604 65 2HD2 LEU 9 HD2 LEU 9 19.451 1.643 1.643 66 3HD2 LEU 9 HD2 LEU 9 18.740 2.973 2.973 67 H LYS 10 H LYS 10 18.364 -0.229 -0.229 68 HA LYS 10 HA LYS 10 17.977 -1.543 -1.543 69 1HB LYS 10 HB2 LYS 10 18.432 -2.939 -2.939 70 2HB LYS 10 HB1 LYS 10 19.854 -3.134 -3.134 71 1HG LYS 10 HG2 LYS 10 17.834 -3.486 -3.486 72 2HG LYS 10 HG1 LYS 10 17.059 -4.112 -4.112 73 1HD LYS 10 HD2 LYS 10 19.793 -5.081 -5.081 74 2HD LYS 10 HD1 LYS 10 18.924 -5.429 -5.429 75 1HE LYS 10 HE2 LYS 10 17.044 -6.375 -6.375 76 2HE LYS 10 HE1 LYS 10 18.161 -6.238 -6.238 77 1HZ LYS 10 HZ1 LYS 10 18.639 -7.781 -7.781 78 2HZ LYS 10 HZ3 LYS 10 18.210 -8.412 -8.412 79 3HZ LYS 10 HZ2 LYS 10 19.684 -7.673 -7.673 80 HA PRO 11 HA PRO 11 21.607 0.709 0.709 81 1HB PRO 11 HB2 PRO 11 22.568 -0.893 -0.893 82 2HB PRO 11 HB1 PRO 11 21.278 0.314 0.314 83 1HG PRO 11 HG2 PRO 11 21.119 -2.623 -2.623 84 2HG PRO 11 HG1 PRO 11 19.940 -1.428 -1.428 85 1HD PRO 11 HD2 PRO 11 19.852 -2.920 -2.920 86 2HD PRO 11 HD1 PRO 11 18.741 -1.647 -1.647 87 H ASP 12 H ASP 12 23.114 0.732 0.732 88 HA ASP 12 HA ASP 12 24.393 -1.614 -1.614 89 1HB ASP 12 HB2 ASP 12 25.565 1.176 1.176 90 2HB ASP 12 HB1 ASP 12 25.859 -0.120 -0.120 91 H PHE 13 H PHE 13 25.019 0.521 0.521 92 HA PHE 13 HA PHE 13 27.775 -0.023 -0.023 93 1HB PHE 13 HB2 PHE 13 27.377 0.804 0.804 94 2HB PHE 13 HB1 PHE 13 26.265 1.675 1.675 95 HD1 PHE 13 HD1 PHE 13 26.312 -1.416 -1.416 96 HD2 PHE 13 HD2 PHE 13 24.025 1.900 1.900 97 HE1 PHE 13 HE1 PHE 13 24.384 -2.064 -2.064 98 HE2 PHE 13 HE2 PHE 13 22.101 1.244 1.244 99 HZ PHE 13 HZ PHE 13 22.277 -0.737 -0.737 100 H CYS 14 H CYS 14 24.861 -2.009 -2.009 101 HA CYS 14 HA CYS 14 25.923 -3.842 -3.842 102 1HB CYS 14 HB2 CYS 14 23.689 -3.889 -3.889 103 2HB CYS 14 HB1 CYS 14 24.176 -5.396 -5.396 104 HG CYS 14 HG CYS 14 22.892 -2.543 -2.543 105 H PHE 15 H PHE 15 26.073 -3.599 -3.599 106 HA PHE 15 HA PHE 15 27.483 -6.190 -6.190 107 1HB PHE 15 HB2 PHE 15 27.244 -4.113 -4.113 108 2HB PHE 15 HB1 PHE 15 27.263 -5.864 -5.864 109 HD1 PHE 15 HD1 PHE 15 25.173 -7.013 -7.013 110 HD2 PHE 15 HD2 PHE 15 25.191 -3.129 -3.129 111 HE1 PHE 15 HE1 PHE 15 22.693 -7.062 -7.062 112 HE2 PHE 15 HE2 PHE 15 22.710 -3.188 -3.188 113 HZ PHE 15 HZ PHE 15 21.457 -5.152 -5.152 114 H LEU 16 H LEU 16 28.367 -3.314 -3.314 115 HA LEU 16 HA LEU 16 30.816 -2.860 -2.860 116 1HB LEU 16 HB2 LEU 16 29.403 -1.169 -1.169 117 2HB LEU 16 HB1 LEU 16 30.129 -1.807 -1.807 118 HG LEU 16 HG LEU 16 31.050 0.318 0.318 119 1HD1 LEU 16 HD1 LEU 16 32.827 -1.800 -1.800 120 2HD1 LEU 16 HD1 LEU 16 33.286 -0.094 -0.094 121 3HD1 LEU 16 HD1 LEU 16 31.949 -0.502 -0.502 122 1HD2 LEU 16 HD2 LEU 16 31.470 -0.788 -0.788 123 2HD2 LEU 16 HD2 LEU 16 33.014 -0.247 -0.247 124 3HD2 LEU 16 HD2 LEU 16 32.550 -1.959 -1.959 125 H GLU 17 H GLU 17 32.701 -3.948 -3.948 126 HA GLU 17 HA GLU 17 33.047 -6.224 -6.224 127 1HB GLU 17 HB2 GLU 17 35.588 -5.391 -5.391 128 2HB GLU 17 HB1 GLU 17 34.827 -5.886 -5.886 129 1HG GLU 17 HG2 GLU 17 34.422 -3.038 -3.038 130 2HG GLU 17 HG1 GLU 17 36.107 -3.485 -3.485 131 H GLU 18 H GLU 18 33.597 -6.872 -6.872 132 HA GLU 18 HA GLU 18 32.874 -5.195 -5.195 133 1HB GLU 18 HB2 GLU 18 33.442 -6.942 -6.942 134 2HB GLU 18 HB1 GLU 18 33.223 -7.799 -7.799 135 1HG GLU 18 HG2 GLU 18 35.873 -7.079 -7.079 136 2HG GLU 18 HG1 GLU 18 35.684 -7.309 -7.309 137 H ASP 19 H ASP 19 34.096 -4.070 -4.070 138 HA ASP 19 HA ASP 19 36.972 -3.649 -3.649 139 1HB ASP 19 HB2 ASP 19 35.348 -1.894 -1.894 140 2HB ASP 19 HB1 ASP 19 35.191 -1.286 -1.286 141 HA PRO 20 HA PRO 20 36.387 -3.805 -3.805 142 1HB PRO 20 HB2 PRO 20 38.956 -4.879 -4.879 143 2HB PRO 20 HB1 PRO 20 37.515 -5.857 -5.857 144 1HG PRO 20 HG2 PRO 20 39.824 -5.240 -5.240 145 2HG PRO 20 HG1 PRO 20 38.605 -6.521 -6.521 146 1HD PRO 20 HD2 PRO 20 38.782 -4.103 -4.103 147 2HD PRO 20 HD1 PRO 20 37.513 -5.343 -5.343 148 H GLY 21 H GLY 21 37.180 -1.416 -1.416 149 1HA GLY 21 HA1 GLY 21 38.365 0.561 0.561 150 2HA GLY 21 HA2 GLY 21 37.940 0.310 0.310 151 H ILE 22 H ILE 22 39.859 1.051 1.051 152 HA ILE 22 HA ILE 22 42.193 -0.686 -0.686 153 HB ILE 22 HB ILE 22 42.770 2.128 2.128 154 1HG1 ILE 22 HG1 ILE 22 41.880 1.264 1.264 155 2HG1 ILE 22 HG1 ILE 22 40.948 2.298 2.298 156 1HG2 ILE 22 HG2 ILE 22 43.995 0.059 0.059 157 2HG2 ILE 22 HG2 ILE 22 44.637 1.702 1.702 158 3HG2 ILE 22 HG2 ILE 22 44.587 0.527 0.527 159 1HD1 ILE 22 HD1 ILE 22 43.720 2.931 2.931 160 2HD1 ILE 22 HD1 ILE 22 42.176 3.643 3.643 161 3HD1 ILE 22 HD1 ILE 22 42.788 3.980 3.980 162 H CYS 23 H CYS 23 41.070 -1.672 -1.672 163 HA CYS 23 HA CYS 23 42.465 -0.798 -0.798 164 1HB CYS 23 HB2 CYS 23 39.531 -0.247 -0.247 165 2HB CYS 23 HB1 CYS 23 40.230 -0.646 -0.646 166 HG CYS 23 HG CYS 23 42.071 1.722 1.722 167 H ARG 24 H ARG 24 43.221 -3.001 -3.001 168 HA ARG 24 HA ARG 24 42.163 -5.331 -5.331 169 1HB ARG 24 HB2 ARG 24 43.214 -6.108 -6.108 170 2HB ARG 24 HB1 ARG 24 44.219 -5.678 -5.678 171 1HG ARG 24 HG2 ARG 24 43.412 -3.356 -3.356 172 2HG ARG 24 HG1 ARG 24 44.371 -4.546 -4.546 173 1HD ARG 24 HD2 ARG 24 45.629 -4.261 -4.261 174 2HD ARG 24 HD1 ARG 24 45.230 -2.617 -2.617 175 HE ARG 24 HE ARG 24 46.799 -2.800 -2.800 176 1HH1 ARG 24 HH1 ARG 24 46.069 -5.993 -5.993 177 2HH1 ARG 24 HH1 ARG 24 47.349 -6.831 -6.831 178 1HH2 ARG 24 HH2 ARG 24 48.504 -3.889 -3.889 179 2HH2 ARG 24 HH2 ARG 24 48.739 -5.629 -5.629 180 H GLY 25 H GLY 25 41.590 -3.689 -3.689 181 1HA GLY 25 HA1 GLY 25 40.042 -5.181 -5.181 182 2HA GLY 25 HA2 GLY 25 39.421 -3.587 -3.587 183 H TYR 26 H TYR 26 39.281 -7.105 -7.105 184 HA TYR 26 HA TYR 26 37.384 -6.827 -6.827 185 1HB TYR 26 HB1 TYR 26 38.135 -9.217 -9.217 186 2HB TYR 26 HB2 TYR 26 37.088 -9.309 -9.309 187 HD1 TYR 26 HD2 TYR 26 38.800 -7.151 -7.151 188 HD2 TYR 26 HD1 TYR 26 39.748 -10.839 -10.839 189 HE1 TYR 26 HE2 TYR 26 40.756 -7.477 -7.477 190 HE2 TYR 26 HE1 TYR 26 41.702 -11.164 -11.164 191 HH TYR 26 HH TYR 26 42.288 -10.162 -10.162 192 H ILE 27 H ILE 27 35.119 -7.118 -7.118 193 HA ILE 27 HA ILE 27 33.917 -7.227 -7.227 194 HB ILE 27 HB ILE 27 32.916 -5.341 -5.341 195 1HG1 ILE 27 HG1 ILE 27 34.166 -3.673 -3.673 196 2HG1 ILE 27 HG1 ILE 27 35.282 -5.053 -5.053 197 1HG2 ILE 27 HG2 ILE 27 32.559 -5.481 -5.481 198 2HG2 ILE 27 HG2 ILE 27 31.903 -4.198 -4.198 199 3HG2 ILE 27 HG2 ILE 27 31.347 -5.873 -5.873 200 1HD1 ILE 27 HD1 ILE 27 34.278 -3.538 -3.538 201 2HD1 ILE 27 HD1 ILE 27 35.894 -3.381 -3.381 202 3HD1 ILE 27 HD1 ILE 27 35.408 -4.907 -4.907 203 H THR 28 H THR 28 34.340 -9.100 -9.100 204 HA THR 28 HA THR 28 33.076 -10.424 -10.424 205 HB THR 28 HB THR 28 31.643 -10.716 -10.716 206 HG1 THR 28 HG1 THR 28 33.832 -12.032 -12.032 207 1HG2 THR 28 HG2 THR 28 31.674 -12.268 -12.268 208 2HG2 THR 28 HG2 THR 28 31.807 -13.194 -13.194 209 3HG2 THR 28 HG2 THR 28 30.376 -12.183 -12.183 210 H ARG 29 H ARG 29 32.295 -8.821 -8.821 211 HA ARG 29 HA ARG 29 29.464 -8.038 -8.038 212 1HB ARG 29 HB2 ARG 29 31.647 -6.710 -6.710 213 2HB ARG 29 HB1 ARG 29 29.931 -6.284 -6.284 214 1HG ARG 29 HG2 ARG 29 30.758 -6.335 -6.335 215 2HG ARG 29 HG1 ARG 29 31.812 -5.264 -5.264 216 1HD ARG 29 HD2 ARG 29 29.708 -4.177 -4.177 217 2HD ARG 29 HD1 ARG 29 28.769 -5.155 -5.155 218 HE ARG 29 HE ARG 29 30.669 -3.957 -3.957 219 1HH1 ARG 29 HH1 ARG 29 28.339 -2.762 -2.762 220 2HH1 ARG 29 HH1 ARG 29 28.119 -1.188 -1.188 221 1HH2 ARG 29 HH2 ARG 29 30.393 -1.875 -1.875 222 2HH2 ARG 29 HH2 ARG 29 29.292 -0.681 -0.681 223 H TYR 30 H TYR 30 28.356 -7.589 -7.589 224 HA TYR 30 HA TYR 30 29.121 -9.939 -9.939 225 1HB TYR 30 HB1 TYR 30 26.284 -9.006 -9.006 226 2HB TYR 30 HB2 TYR 30 26.711 -10.350 -10.350 227 HD1 TYR 30 HD1 TYR 30 27.470 -9.247 -9.247 228 HD2 TYR 30 HD2 TYR 30 26.523 -12.495 -12.495 229 HE1 TYR 30 HE1 TYR 30 27.429 -10.823 -10.823 230 HE2 TYR 30 HE2 TYR 30 26.482 -14.070 -14.070 231 HH TYR 30 HH TYR 30 26.319 -14.159 -14.159 232 H PHE 31 H PHE 31 28.377 -9.772 -9.772 233 HA PHE 31 HA PHE 31 27.724 -7.056 -7.056 234 1HB PHE 31 HB2 PHE 31 29.708 -6.591 -6.591 235 2HB PHE 31 HB1 PHE 31 30.258 -7.193 -7.193 236 HD1 PHE 31 HD2 PHE 31 30.828 -9.773 -9.773 237 HD2 PHE 31 HD1 PHE 31 30.629 -7.535 -7.535 238 HE1 PHE 31 HE2 PHE 31 32.243 -11.483 -11.483 239 HE2 PHE 31 HE1 PHE 31 32.042 -9.249 -9.249 240 HZ PHE 31 HZ PHE 31 32.852 -11.224 -11.224 241 H TYR 32 H TYR 32 27.017 -7.109 -7.109 242 HA TYR 32 HA TYR 32 26.174 -9.809 -9.809 243 1HB TYR 32 HB1 TYR 32 24.737 -7.676 -7.676 244 2HB TYR 32 HB2 TYR 32 25.749 -7.188 -7.188 245 HD1 TYR 32 HD1 TYR 32 23.207 -9.684 -9.684 246 HD2 TYR 32 HD2 TYR 32 25.580 -8.201 -8.201 247 HE1 TYR 32 HE1 TYR 32 21.806 -10.972 -10.972 248 HE2 TYR 32 HE2 TYR 32 24.177 -9.489 -9.489 249 HH TYR 32 HH TYR 32 21.720 -10.483 -10.483 250 H ASN 33 H ASN 33 28.101 -10.911 -10.911 251 HA ASN 33 HA ASN 33 30.105 -9.808 -9.808 252 1HB ASN 33 HB2 ASN 33 30.371 -11.834 -11.834 253 2HB ASN 33 HB1 ASN 33 29.356 -12.743 -12.743 254 1HD2 ASN 33 HD2 ASN 33 32.575 -13.733 -13.733 255 2HD2 ASN 33 HD2 ASN 33 31.280 -14.119 -14.119 256 H ASN 34 H ASN 34 29.826 -9.219 -9.219 257 HA ASN 34 HA ASN 34 27.597 -10.058 -10.058 258 1HB ASN 34 HB2 ASN 34 28.764 -7.984 -7.984 259 2HB ASN 34 HB1 ASN 34 30.301 -8.850 -8.850 260 1HD2 ASN 34 HD2 ASN 34 29.544 -10.212 -10.212 261 2HD2 ASN 34 HD2 ASN 34 30.439 -10.452 -10.452 262 H GLN 35 H GLN 35 30.935 -11.270 -11.270 263 HA GLN 35 HA GLN 35 30.993 -12.950 -12.950 264 1HB GLN 35 HB2 GLN 35 32.663 -12.416 -12.416 265 2HB GLN 35 HB1 GLN 35 32.391 -14.170 -14.170 266 1HG GLN 35 HG2 GLN 35 33.204 -14.353 -14.353 267 2HG GLN 35 HG1 GLN 35 33.208 -12.590 -12.590 268 1HE2 GLN 35 HE2 GLN 35 36.142 -12.036 -12.036 269 2HE2 GLN 35 HE2 GLN 35 34.547 -11.382 -11.382 270 H THR 36 H THR 36 29.204 -13.136 -13.136 271 HA THR 36 HA THR 36 28.313 -15.882 -15.882 272 HB THR 36 HB THR 36 29.159 -14.840 -14.840 273 HG1 THR 36 HG1 THR 36 30.673 -15.952 -15.952 274 1HG2 THR 36 HG2 THR 36 27.097 -16.926 -16.926 275 2HG2 THR 36 HG2 THR 36 28.289 -17.368 -17.368 276 3HG2 THR 36 HG2 THR 36 27.210 -15.987 -15.987 277 H LYS 37 H LYS 37 27.486 -12.764 -12.764 278 HA LYS 37 HA LYS 37 25.595 -11.536 -11.536 279 1HB LYS 37 HB2 LYS 37 24.761 -13.970 -13.970 280 2HB LYS 37 HB1 LYS 37 23.591 -12.690 -12.690 281 1HG LYS 37 HG2 LYS 37 24.411 -11.439 -11.439 282 2HG LYS 37 HG1 LYS 37 26.018 -11.460 -11.460 283 1HD LYS 37 HD2 LYS 37 24.846 -13.436 -13.436 284 2HD LYS 37 HD1 LYS 37 26.254 -12.379 -12.379 285 1HE LYS 37 HE2 LYS 37 27.142 -13.726 -13.726 286 2HE LYS 37 HE1 LYS 37 25.987 -14.944 -14.944 287 1HZ LYS 37 HZ1 LYS 37 28.155 -13.723 -13.723 288 2HZ LYS 37 HZ3 LYS 37 28.164 -15.256 -15.256 289 3HZ LYS 37 HZ2 LYS 37 27.088 -14.875 -14.875 290 H GLN 38 H GLN 38 26.279 -12.630 -12.630 291 HA GLN 38 HA GLN 38 23.679 -12.881 -12.881 292 1HB GLN 38 HB2 GLN 38 24.850 -15.289 -15.289 293 2HB GLN 38 HB1 GLN 38 25.355 -15.101 -15.101 294 1HG GLN 38 HG2 GLN 38 23.310 -15.854 -15.854 295 2HG GLN 38 HG1 GLN 38 22.639 -14.342 -14.342 296 1HE2 GLN 38 HE2 GLN 38 21.509 -17.789 -17.789 297 2HE2 GLN 38 HE2 GLN 38 22.105 -17.467 -17.467 298 H CYS 39 H CYS 39 23.924 -12.959 -12.959 299 HA CYS 39 HA CYS 39 26.033 -11.094 -11.094 300 1HB CYS 39 HB2 CYS 39 23.842 -12.401 -12.401 301 2HB CYS 39 HB1 CYS 39 25.001 -11.233 -11.233 302 HG CYS 39 HG CYS 39 24.019 -9.467 -9.467 303 H GLU 40 H GLU 40 28.058 -11.686 -11.686 304 HA GLU 40 HA GLU 40 28.371 -14.375 -14.375 305 1HB GLU 40 HB2 GLU 40 29.745 -13.101 -13.101 306 2HB GLU 40 HB1 GLU 40 30.893 -13.519 -13.519 307 1HG GLU 40 HG2 GLU 40 28.908 -15.636 -15.636 308 2HG GLU 40 HG1 GLU 40 29.893 -15.247 -15.247 309 H ARG 41 H ARG 41 29.720 -14.593 -14.593 310 HA ARG 41 HA ARG 41 29.887 -12.181 -12.181 311 1HB ARG 41 HB2 ARG 41 29.883 -15.001 -15.001 312 2HB ARG 41 HB1 ARG 41 31.413 -14.372 -14.372 313 1HG ARG 41 HG2 ARG 41 30.338 -13.006 -13.006 314 2HG ARG 41 HG1 ARG 41 28.856 -12.889 -12.889 315 1HD ARG 41 HD2 ARG 41 28.824 -14.346 -14.346 316 2HD ARG 41 HD1 ARG 41 28.098 -15.021 -15.021 317 HE ARG 41 HE ARG 41 30.947 -15.624 -15.624 318 1HH1 ARG 41 HH1 ARG 41 27.651 -16.601 -16.601 319 2HH1 ARG 41 HH1 ARG 41 28.059 -18.294 -18.294 320 1HH2 ARG 41 HH2 ARG 41 31.513 -17.866 -17.866 321 2HH2 ARG 41 HH2 ARG 41 30.265 -19.017 -19.017 322 H PHE 42 H PHE 42 31.498 -10.718 -10.718 323 HA PHE 42 HA PHE 42 34.273 -11.714 -11.714 324 1HB PHE 42 HB2 PHE 42 34.585 -10.134 -10.134 325 2HB PHE 42 HB1 PHE 42 32.896 -10.522 -10.522 326 HD1 PHE 42 HD2 PHE 42 31.119 -9.035 -9.035 327 HD2 PHE 42 HD1 PHE 42 35.189 -7.844 -7.844 328 HE1 PHE 42 HE2 PHE 42 30.484 -6.648 -6.648 329 HE2 PHE 42 HE1 PHE 42 34.546 -5.461 -5.461 330 HZ PHE 42 HZ PHE 42 32.195 -4.859 -4.859 331 H LYS 43 H LYS 43 35.963 -10.558 -10.558 332 HA LYS 43 HA LYS 43 35.232 -9.476 -9.476 333 1HB LYS 43 HB2 LYS 43 37.666 -10.276 -10.276 334 2HB LYS 43 HB1 LYS 43 37.903 -8.821 -8.821 335 1HG LYS 43 HG2 LYS 43 38.308 -10.546 -10.546 336 2HG LYS 43 HG1 LYS 43 36.596 -10.179 -10.179 337 1HD LYS 43 HD2 LYS 43 36.694 -12.550 -12.550 338 2HD LYS 43 HD1 LYS 43 36.091 -12.036 -12.036 339 1HE LYS 43 HE2 LYS 43 38.465 -12.160 -12.160 340 2HE LYS 43 HE1 LYS 43 38.952 -12.817 -12.817 341 1HZ LYS 43 HZ1 LYS 43 36.968 -14.012 -14.012 342 2HZ LYS 43 HZ3 LYS 43 38.537 -14.538 -14.538 343 3HZ LYS 43 HZ2 LYS 43 37.430 -14.643 -14.643 344 H TYR 44 H TYR 44 35.541 -7.283 -7.283 345 HA TYR 44 HA TYR 44 35.574 -5.316 -5.316 346 1HB TYR 44 HB1 TYR 44 33.310 -5.446 -5.446 347 2HB TYR 44 HB2 TYR 44 33.879 -5.382 -5.382 348 HD1 TYR 44 HD2 TYR 44 35.515 -3.135 -3.135 349 HD2 TYR 44 HD1 TYR 44 32.269 -3.505 -3.505 350 HE1 TYR 44 HE2 TYR 44 35.260 -0.668 -0.668 351 HE2 TYR 44 HE1 TYR 44 32.015 -1.039 -1.039 352 HH TYR 44 HH TYR 44 33.813 1.087 1.087 353 H GLY 45 H GLY 45 37.995 -6.046 -6.046 354 1HA GLY 45 HA1 GLY 45 38.814 -4.584 -4.584 355 2HA GLY 45 HA2 GLY 45 39.874 -5.239 -5.239 356 H GLY 46 H GLY 46 37.317 -2.663 -2.663 357 1HA GLY 46 HA1 GLY 46 39.272 -0.643 -0.643 358 2HA GLY 46 HA2 GLY 46 37.853 -0.925 -0.925 359 H CYS 47 H CYS 47 38.714 1.469 1.469 360 HA CYS 47 HA CYS 47 36.606 1.518 1.518 361 1HB CYS 47 HB2 CYS 47 38.868 3.368 3.368 362 2HB CYS 47 HB1 CYS 47 37.579 3.846 3.846 363 HG CYS 47 HG CYS 47 40.197 2.830 2.830 364 H LEU 48 H LEU 48 36.219 1.502 1.502 365 HA LEU 48 HA LEU 48 34.013 3.294 3.294 366 1HB LEU 48 HB2 LEU 48 35.926 4.874 4.874 367 2HB LEU 48 HB1 LEU 48 36.283 4.145 4.145 368 HG LEU 48 HG LEU 48 34.503 5.103 5.103 369 1HD1 LEU 48 HD1 LEU 48 33.082 5.329 5.329 370 2HD1 LEU 48 HD1 LEU 48 32.415 5.873 5.873 371 3HD1 LEU 48 HD1 LEU 48 32.750 4.152 4.152 372 1HD2 LEU 48 HD2 LEU 48 35.954 6.937 6.937 373 2HD2 LEU 48 HD2 LEU 48 34.252 7.477 7.477 374 3HD2 LEU 48 HD2 LEU 48 35.051 7.073 7.073 375 H GLY 49 H GLY 49 36.492 1.679 1.679 376 1HA GLY 49 HA1 GLY 49 36.247 0.313 0.313 377 2HA GLY 49 HA2 GLY 49 34.821 -0.327 -0.327 378 H ASN 50 H ASN 50 33.729 -0.583 -0.583 379 HA ASN 50 HA ASN 50 33.012 1.983 1.983 380 1HB ASN 50 HB2 ASN 50 32.344 0.623 0.623 381 2HB ASN 50 HB1 ASN 50 33.952 0.069 0.069 382 1HD2 ASN 50 HD2 ASN 50 32.197 -3.054 -3.054 383 2HD2 ASN 50 HD2 ASN 50 33.021 -1.745 -1.745 384 H MET 51 H MET 51 30.623 1.139 1.139 385 HA MET 51 HA MET 51 28.790 1.388 1.388 386 1HB MET 51 HB2 MET 51 28.410 1.177 1.177 387 2HB MET 51 HB1 MET 51 27.065 1.340 1.340 388 1HG MET 51 HG2 MET 51 29.060 3.345 3.345 389 2HG MET 51 HG1 MET 51 28.699 3.406 3.406 390 1HE MET 51 HE1 MET 51 25.683 2.235 2.235 391 2HE MET 51 HE3 MET 51 24.742 3.751 3.751 392 3HE MET 51 HE2 MET 51 26.179 3.628 3.628 393 H ASN 52 H ASN 52 29.654 -1.064 -1.064 394 HA ASN 52 HA ASN 52 27.646 -2.960 -2.960 395 1HB ASN 52 HB2 ASN 52 29.202 -2.835 -2.835 396 2HB ASN 52 HB1 ASN 52 30.320 -3.777 -3.777 397 1HD2 ASN 52 HD2 ASN 52 28.750 -6.631 -6.631 398 2HD2 ASN 52 HD2 ASN 52 30.183 -5.600 -5.600 399 H ASN 53 H ASN 53 28.245 -2.339 -2.339 400 HA ASN 53 HA ASN 53 29.880 -4.611 -4.611 401 1HB ASN 53 HB2 ASN 53 31.492 -2.825 -2.825 402 2HB ASN 53 HB1 ASN 53 30.263 -1.673 -1.673 403 1HD2 ASN 53 HD2 ASN 53 30.761 -2.317 -2.317 404 2HD2 ASN 53 HD2 ASN 53 30.149 -1.291 -1.291 405 H PHE 54 H PHE 54 27.590 -5.357 -5.357 406 HA PHE 54 HA PHE 54 25.916 -3.951 -3.951 407 1HB PHE 54 HB2 PHE 54 25.698 -6.747 -6.747 408 2HB PHE 54 HB1 PHE 54 24.459 -5.872 -5.872 409 HD1 PHE 54 HD1 PHE 54 26.251 -6.092 -6.092 410 HD2 PHE 54 HD2 PHE 54 23.136 -4.088 -4.088 411 HE1 PHE 54 HE1 PHE 54 25.359 -5.123 -5.123 412 HE2 PHE 54 HE2 PHE 54 22.250 -3.123 -3.123 413 HZ PHE 54 HZ PHE 54 23.359 -3.639 -3.639 414 H GLU 55 H GLU 55 25.156 -5.128 -5.128 415 HA GLU 55 HA GLU 55 27.515 -6.337 -6.337 416 1HB GLU 55 HB2 GLU 55 24.999 -5.411 -5.411 417 2HB GLU 55 HB1 GLU 55 26.626 -5.637 -5.637 418 1HG GLU 55 HG2 GLU 55 27.435 -3.744 -3.744 419 2HG GLU 55 HG1 GLU 55 25.785 -3.519 -3.519 420 H THR 56 H THR 56 24.254 -6.966 -6.966 421 HA THR 56 HA THR 56 24.488 -9.739 -9.739 422 HB THR 56 HB THR 56 21.743 -9.322 -9.322 423 HG1 THR 56 HG1 THR 56 22.976 -6.928 -6.928 424 1HG2 THR 56 HG2 THR 56 23.896 -8.936 -8.936 425 2HG2 THR 56 HG2 THR 56 22.270 -8.329 -8.329 426 3HG2 THR 56 HG2 THR 56 22.506 -10.055 -10.055 427 H LEU 57 H LEU 57 23.770 -11.404 -11.404 428 HA LEU 57 HA LEU 57 24.127 -10.903 -10.903 429 1HB LEU 57 HB2 LEU 57 24.505 -13.030 -13.030 430 2HB LEU 57 HB1 LEU 57 22.768 -13.201 -13.201 431 HG LEU 57 HG LEU 57 22.691 -12.886 -12.886 432 1HD1 LEU 57 HD1 LEU 57 25.395 -14.206 -14.206 433 2HD1 LEU 57 HD1 LEU 57 24.535 -14.151 -14.151 434 3HD1 LEU 57 HD1 LEU 57 25.092 -12.650 -12.650 435 1HD2 LEU 57 HD2 LEU 57 21.689 -14.771 -14.771 436 2HD2 LEU 57 HD2 LEU 57 22.573 -15.370 -15.370 437 3HD2 LEU 57 HD2 LEU 57 23.281 -15.532 -15.532 438 H GLU 58 H GLU 58 21.086 -11.477 -11.477 439 HA GLU 58 HA GLU 58 19.292 -11.237 -11.237 440 1HB GLU 58 HB2 GLU 58 19.044 -11.597 -11.597 441 2HB GLU 58 HB1 GLU 58 18.458 -9.928 -9.928 442 1HG GLU 58 HG2 GLU 58 16.851 -10.673 -10.673 443 2HG GLU 58 HG1 GLU 58 17.450 -12.335 -12.335 444 H GLU 59 H GLU 59 20.599 -8.630 -8.630 445 HA GLU 59 HA GLU 59 19.235 -6.492 -6.492 446 1HB GLU 59 HB2 GLU 59 21.107 -6.740 -6.740 447 2HB GLU 59 HB1 GLU 59 22.070 -5.953 -5.953 448 1HG GLU 59 HG2 GLU 59 21.035 -3.976 -3.976 449 2HG GLU 59 HG1 GLU 59 19.434 -4.728 -4.728 450 H CYS 60 H CYS 60 22.279 -8.107 -8.107 451 HA CYS 60 HA CYS 60 22.793 -6.262 -6.262 452 1HB CYS 60 HB2 CYS 60 24.612 -7.494 -7.494 453 2HB CYS 60 HB1 CYS 60 23.748 -9.036 -9.036 454 HG CYS 60 HG CYS 60 25.632 -7.381 -7.381 455 H LYS 61 H LYS 61 20.719 -9.086 -9.086 456 HA LYS 61 HA LYS 61 20.354 -9.444 -9.444 457 1HB LYS 61 HB2 LYS 61 18.581 -10.623 -10.623 458 2HB LYS 61 HB1 LYS 61 18.994 -11.272 -11.272 459 1HG LYS 61 HG2 LYS 61 21.468 -10.946 -10.946 460 2HG LYS 61 HG1 LYS 61 20.386 -11.555 -11.555 461 1HD LYS 61 HD2 LYS 61 21.307 -13.498 -13.498 462 2HD LYS 61 HD1 LYS 61 19.671 -13.349 -13.349 463 1HE LYS 61 HE2 LYS 61 21.156 -11.837 -11.837 464 2HE LYS 61 HE1 LYS 61 22.316 -13.102 -13.102 465 1HZ LYS 61 HZ1 LYS 61 19.567 -13.546 -13.546 466 2HZ LYS 61 HZ3 LYS 61 20.972 -13.734 -13.734 467 3HZ LYS 61 HZ2 LYS 61 20.652 -14.737 -14.737 468 H ASN 62 H ASN 62 18.338 -8.244 -8.244 469 HA ASN 62 HA ASN 62 16.064 -7.492 -7.492 470 1HB ASN 62 HB2 ASN 62 17.031 -7.126 -7.126 471 2HB ASN 62 HB1 ASN 62 16.870 -5.473 -5.473 472 1HD2 ASN 62 HD2 ASN 62 13.658 -6.474 -6.474 473 2HD2 ASN 62 HD2 ASN 62 15.349 -6.285 -6.285 474 H ILE 63 H ILE 63 19.174 -5.742 -5.742 475 HA ILE 63 HA ILE 63 18.227 -3.429 -3.429 476 HB ILE 63 HB ILE 63 20.802 -4.310 -4.310 477 1HG1 ILE 63 HG1 ILE 63 19.012 -3.287 -3.287 478 2HG1 ILE 63 HG1 ILE 63 20.523 -2.356 -2.356 479 1HG2 ILE 63 HG2 ILE 63 20.460 -1.870 -1.870 480 2HG2 ILE 63 HG2 ILE 63 21.874 -2.190 -2.190 481 3HG2 ILE 63 HG2 ILE 63 21.493 -3.281 -3.281 482 1HD1 ILE 63 HD1 ILE 63 18.064 -1.740 -1.740 483 2HD1 ILE 63 HD1 ILE 63 18.554 -0.874 -0.874 484 3HD1 ILE 63 HD1 ILE 63 19.565 -0.793 -0.793 485 H CYS 64 H CYS 64 20.669 -6.032 -6.032 486 HA CYS 64 HA CYS 64 20.824 -5.224 -5.224 487 1HB CYS 64 HB2 CYS 64 21.914 -7.695 -7.695 488 2HB CYS 64 HB1 CYS 64 22.350 -7.086 -7.086 489 HG CYS 64 HG CYS 64 24.004 -6.546 -6.546 490 H GLU 65 H GLU 65 20.474 -8.640 -8.640 491 HA GLU 65 HA GLU 65 19.089 -9.615 -9.615 492 1HB GLU 65 HB2 GLU 65 19.077 -10.226 -10.226 493 2HB GLU 65 HB1 GLU 65 17.628 -10.788 -10.788 494 1HG GLU 65 HG2 GLU 65 19.903 -11.383 -11.383 495 2HG GLU 65 HG1 GLU 65 20.286 -11.910 -11.910 496 H ASP 66 H ASP 66 17.739 -7.443 -7.443 497 HA ASP 66 HA ASP 66 15.679 -6.436 -6.436 498 1HB ASP 66 HB2 ASP 66 14.796 -5.460 -5.460 499 2HB ASP 66 HB1 ASP 66 16.560 -5.275 -5.275 500 H GLY 67 H GLY 67 14.343 -7.998 -7.998 501 1HA GLY 67 HA1 GLY 67 13.336 -10.328 -10.328 502 2HA GLY 67 HA2 GLY 67 12.403 -9.273 -9.273 503 HA PRO 68 HA PRO 68 10.693 -9.288 -9.288 504 1HB PRO 68 HB2 PRO 68 8.720 -11.287 -11.287 505 2HB PRO 68 HB1 PRO 68 10.314 -11.561 -11.561 506 1HG PRO 68 HG2 PRO 68 9.278 -12.374 -12.374 507 2HG PRO 68 HG1 PRO 68 10.678 -12.978 -12.978 508 1HD PRO 68 HD2 PRO 68 10.698 -11.224 -11.224 509 2HD PRO 68 HD1 PRO 68 12.078 -11.753 -11.753 510 H ASN 69 H ASN 69 9.366 -9.366 -9.366 511 HA ASN 69 HA ASN 69 6.745 -8.571 -8.571 512 1HB ASN 69 HB2 ASN 69 8.468 -8.633 -8.633 513 2HB ASN 69 HB1 ASN 69 8.376 -6.879 -6.879 514 1HD2 ASN 69 HD2 ASN 69 5.743 -7.604 -7.604 515 2HD2 ASN 69 HD2 ASN 69 7.504 -7.525 -7.525 516 H GLY 70 H GLY 70 9.696 -6.779 -6.779 517 1HA GLY 70 HA1 GLY 70 9.503 -5.068 -5.068 518 2HA GLY 70 HA2 GLY 70 7.973 -4.545 -4.545 519 H PHE 71 H PHE 71 11.108 -3.625 -3.625 520 HA PHE 71 HA PHE 71 11.052 -1.804 -1.804 521 1HB PHE 71 HB2 PHE 71 13.369 -3.731 -3.731 522 2HB PHE 71 HB1 PHE 71 13.078 -2.539 -2.539 523 HD1 PHE 71 HD1 PHE 71 11.244 -2.874 -2.874 524 HD2 PHE 71 HD2 PHE 71 12.359 -5.946 -5.946 525 HE1 PHE 71 HE1 PHE 71 10.106 -4.583 -4.583 526 HE2 PHE 71 HE2 PHE 71 11.218 -7.649 -7.649 527 HZ PHE 71 HZ PHE 71 10.090 -6.971 -6.971 Start of MODEL 30 1 H ASP 1 H ASP 1 1.855 0.000 0.000 2 HA ASP 1 HA ASP 1 3.010 0.605 0.605 3 1HB ASP 1 HB2 ASP 1 2.729 -1.393 -1.393 4 2HB ASP 1 HB1 ASP 1 3.393 -1.685 -1.685 5 H TYR 2 H TYR 2 2.470 2.281 2.281 6 HA TYR 2 HA TYR 2 -0.048 1.926 1.926 7 1HB TYR 2 HB1 TYR 2 1.325 4.560 4.560 8 2HB TYR 2 HB2 TYR 2 -0.376 4.186 4.186 9 HD1 TYR 2 HD1 TYR 2 -0.588 2.617 2.617 10 HD2 TYR 2 HD2 TYR 2 2.052 5.927 5.927 11 HE1 TYR 2 HE1 TYR 2 -0.432 3.136 3.136 12 HE2 TYR 2 HE2 TYR 2 2.207 6.444 6.444 13 HH TYR 2 HH TYR 2 0.583 4.450 4.450 14 H LYS 3 H LYS 3 -0.059 1.901 1.901 15 HA LYS 3 HA LYS 3 2.345 1.105 1.105 16 1HB LYS 3 HB2 LYS 3 -0.256 0.836 0.836 17 2HB LYS 3 HB1 LYS 3 0.142 2.172 2.172 18 1HG LYS 3 HG2 LYS 3 0.764 0.456 0.456 19 2HG LYS 3 HG1 LYS 3 2.271 0.541 0.541 20 1HD LYS 3 HD2 LYS 3 -0.084 -1.345 -1.345 21 2HD LYS 3 HD1 LYS 3 1.549 -1.780 -1.780 22 1HE LYS 3 HE2 LYS 3 2.485 -1.294 -1.294 23 2HE LYS 3 HE1 LYS 3 1.023 -0.435 -0.435 24 1HZ LYS 3 HZ1 LYS 3 1.218 -3.327 -3.327 25 2HZ LYS 3 HZ3 LYS 3 1.162 -2.630 -2.630 26 3HZ LYS 3 HZ2 LYS 3 -0.151 -2.534 -2.534 27 H ASP 4 H ASP 4 0.412 4.153 4.153 28 HA ASP 4 HA ASP 4 2.871 5.445 5.445 29 1HB ASP 4 HB2 ASP 4 0.258 5.501 5.501 30 2HB ASP 4 HB1 ASP 4 0.331 6.948 6.948 31 H ASP 5 H ASP 5 4.046 6.774 6.774 32 HA ASP 5 HA ASP 5 3.042 8.733 8.733 33 1HB ASP 5 HB2 ASP 5 2.526 6.287 6.287 34 2HB ASP 5 HB1 ASP 5 4.133 6.658 6.658 35 H ASP 6 H ASP 6 4.783 9.677 9.677 36 HA ASP 6 HA ASP 6 7.500 8.670 8.670 37 1HB ASP 6 HB2 ASP 6 8.264 10.682 10.682 38 2HB ASP 6 HB1 ASP 6 6.656 10.549 10.549 39 H ASP 7 H ASP 7 8.966 10.748 10.748 40 HA ASP 7 HA ASP 7 8.663 10.174 10.174 41 1HB ASP 7 HB2 ASP 7 10.358 11.901 11.901 42 2HB ASP 7 HB1 ASP 7 10.803 10.807 10.807 43 H LYS 8 H LYS 8 6.276 10.715 10.715 44 HA LYS 8 HA LYS 8 5.943 13.636 13.636 45 1HB LYS 8 HB2 LYS 8 4.407 11.787 11.787 46 2HB LYS 8 HB1 LYS 8 3.406 12.335 12.335 47 1HG LYS 8 HG2 LYS 8 4.999 14.418 14.418 48 2HG LYS 8 HG1 LYS 8 3.640 13.702 13.702 49 1HD LYS 8 HD2 LYS 8 3.402 14.837 14.837 50 2HD LYS 8 HD1 LYS 8 3.109 15.802 15.802 51 1HE LYS 8 HE2 LYS 8 1.403 14.010 14.010 52 2HE LYS 8 HE1 LYS 8 1.594 13.337 13.337 53 1HZ LYS 8 HZ1 LYS 8 0.751 16.095 16.095 54 2HZ LYS 8 HZ3 LYS 8 -0.246 14.855 14.855 55 3HZ LYS 8 HZ2 LYS 8 0.911 15.469 15.469 56 H LEU 9 H LEU 9 7.125 11.646 11.646 57 HA LEU 9 HA LEU 9 5.033 11.304 11.304 58 1HB LEU 9 HB2 LEU 9 6.623 9.533 9.533 59 2HB LEU 9 HB1 LEU 9 7.951 10.586 10.586 60 HG LEU 9 HG LEU 9 5.830 10.294 10.294 61 1HD1 LEU 9 HD1 LEU 9 7.352 7.783 7.783 62 2HD1 LEU 9 HD1 LEU 9 6.382 7.961 7.961 63 3HD1 LEU 9 HD1 LEU 9 5.600 8.048 8.048 64 1HD2 LEU 9 HD2 LEU 9 8.003 11.300 11.300 65 2HD2 LEU 9 HD2 LEU 9 7.756 9.831 9.831 66 3HD2 LEU 9 HD2 LEU 9 8.838 9.791 9.791 67 H LYS 10 H LYS 10 5.202 12.185 12.185 68 HA LYS 10 HA LYS 10 6.755 14.715 14.715 69 1HB LYS 10 HB2 LYS 10 3.991 14.368 14.368 70 2HB LYS 10 HB1 LYS 10 4.529 14.707 14.707 71 1HG LYS 10 HG2 LYS 10 5.991 16.524 16.524 72 2HG LYS 10 HG1 LYS 10 4.445 16.462 16.462 73 1HD LYS 10 HD2 LYS 10 3.955 18.098 18.098 74 2HD LYS 10 HD1 LYS 10 3.461 16.657 16.657 75 1HE LYS 10 HE2 LYS 10 5.632 16.620 16.620 76 2HE LYS 10 HE1 LYS 10 6.209 17.976 17.976 77 1HZ LYS 10 HZ1 LYS 10 3.930 18.051 18.051 78 2HZ LYS 10 HZ3 LYS 10 5.451 18.687 18.687 79 3HZ LYS 10 HZ2 LYS 10 4.474 19.330 19.330 80 HA PRO 11 HA PRO 11 9.095 12.953 12.953 81 1HB PRO 11 HB2 PRO 11 9.820 15.382 15.382 82 2HB PRO 11 HB1 PRO 11 10.663 14.689 14.689 83 1HG PRO 11 HG2 PRO 11 8.837 16.990 16.990 84 2HG PRO 11 HG1 PRO 11 9.998 16.540 16.540 85 1HD PRO 11 HD2 PRO 11 7.151 16.243 16.243 86 2HD PRO 11 HD1 PRO 11 8.335 15.704 15.704 87 H ASP 12 H ASP 12 8.000 11.824 11.824 88 HA ASP 12 HA ASP 12 5.742 12.844 12.844 89 1HB ASP 12 HB2 ASP 12 5.725 10.815 10.815 90 2HB ASP 12 HB1 ASP 12 6.540 10.406 10.406 91 H PHE 13 H PHE 13 9.236 12.969 12.969 92 HA PHE 13 HA PHE 13 9.330 13.455 13.455 93 1HB PHE 13 HB2 PHE 13 11.482 14.264 14.264 94 2HB PHE 13 HB1 PHE 13 11.228 13.075 13.075 95 HD1 PHE 13 HD1 PHE 13 10.726 16.802 16.802 96 HD2 PHE 13 HD2 PHE 13 11.895 13.599 13.599 97 HE1 PHE 13 HE1 PHE 13 11.312 18.464 18.464 98 HE2 PHE 13 HE2 PHE 13 12.480 15.269 15.269 99 HZ PHE 13 HZ PHE 13 12.191 17.702 17.702 100 H CYS 14 H CYS 14 8.215 15.449 15.449 101 HA CYS 14 HA CYS 14 8.429 17.952 17.952 102 1HB CYS 14 HB2 CYS 14 6.939 16.948 16.948 103 2HB CYS 14 HB1 CYS 14 6.567 18.552 18.552 104 HG CYS 14 HG CYS 14 9.521 17.477 17.477 105 H PHE 15 H PHE 15 6.000 15.354 15.354 106 HA PHE 15 HA PHE 15 3.966 16.937 16.937 107 1HB PHE 15 HB2 PHE 15 4.004 13.965 13.965 108 2HB PHE 15 HB1 PHE 15 2.626 14.991 14.991 109 HD1 PHE 15 HD1 PHE 15 2.808 17.275 17.275 110 HD2 PHE 15 HD2 PHE 15 3.784 13.130 13.130 111 HE1 PHE 15 HE1 PHE 15 2.381 17.611 17.611 112 HE2 PHE 15 HE2 PHE 15 3.355 13.476 13.476 113 HZ PHE 15 HZ PHE 15 2.654 15.715 15.715 114 H LEU 16 H LEU 16 6.911 15.927 15.927 115 HA LEU 16 HA LEU 16 6.032 14.533 14.533 116 1HB LEU 16 HB2 LEU 16 8.274 14.401 14.401 117 2HB LEU 16 HB1 LEU 16 8.844 15.124 15.124 118 HG LEU 16 HG LEU 16 7.143 12.675 12.675 119 1HD1 LEU 16 HD1 LEU 16 10.134 12.642 12.642 120 2HD1 LEU 16 HD1 LEU 16 9.156 11.214 11.214 121 3HD1 LEU 16 HD1 LEU 16 8.837 12.086 12.086 122 1HD2 LEU 16 HD2 LEU 16 7.679 13.754 13.754 123 2HD2 LEU 16 HD2 LEU 16 8.484 12.164 12.164 124 3HD2 LEU 16 HD2 LEU 16 9.416 13.652 13.652 125 H GLU 17 H GLU 17 5.674 15.561 15.561 126 HA GLU 17 HA GLU 17 5.523 18.272 18.272 127 1HB GLU 17 HB2 GLU 17 6.463 16.517 16.517 128 2HB GLU 17 HB1 GLU 17 5.445 17.969 17.969 129 1HG GLU 17 HG2 GLU 17 3.729 16.465 16.465 130 2HG GLU 17 HG1 GLU 17 3.976 16.375 16.375 131 H GLU 18 H GLU 18 6.854 19.977 19.977 132 HA GLU 18 HA GLU 18 9.434 20.076 20.076 133 1HB GLU 18 HB2 GLU 18 9.649 22.126 22.126 134 2HB GLU 18 HB1 GLU 18 7.885 21.930 21.930 135 1HG GLU 18 HG2 GLU 18 8.438 20.695 20.695 136 2HG GLU 18 HG1 GLU 18 9.839 21.783 21.783 137 H ASP 19 H ASP 19 11.528 19.675 19.675 138 HA ASP 19 HA ASP 19 11.703 18.349 18.349 139 1HB ASP 19 HB2 ASP 19 11.658 16.806 16.806 140 2HB ASP 19 HB1 ASP 19 13.319 17.397 17.397 141 HA PRO 20 HA PRO 20 14.915 21.520 21.520 142 1HB PRO 20 HB2 PRO 20 14.800 22.191 22.191 143 2HB PRO 20 HB1 PRO 20 13.835 22.982 22.982 144 1HG PRO 20 HG2 PRO 20 13.022 21.050 21.050 145 2HG PRO 20 HG1 PRO 20 12.034 22.154 22.154 146 1HD PRO 20 HD2 PRO 20 12.339 19.328 19.328 147 2HD PRO 20 HD1 PRO 20 11.442 20.461 20.461 148 H GLY 21 H GLY 21 14.697 18.482 18.482 149 1HA GLY 21 HA1 GLY 21 16.512 17.014 17.014 150 2HA GLY 21 HA2 GLY 21 17.626 18.393 18.393 151 H ILE 22 H ILE 22 18.338 19.043 19.043 152 HA ILE 22 HA ILE 22 16.640 18.587 18.587 153 HB ILE 22 HB ILE 22 19.289 17.238 17.238 154 1HG1 ILE 22 HG1 ILE 22 16.437 16.300 16.300 155 2HG1 ILE 22 HG1 ILE 22 17.736 15.800 15.800 156 1HG2 ILE 22 HG2 ILE 22 17.585 17.488 17.488 157 2HG2 ILE 22 HG2 ILE 22 18.999 16.412 16.412 158 3HG2 ILE 22 HG2 ILE 22 19.201 18.174 18.174 159 1HD1 ILE 22 HD1 ILE 22 17.556 15.122 15.122 160 2HD1 ILE 22 HD1 ILE 22 17.196 14.014 14.014 161 3HD1 ILE 22 HD1 ILE 22 18.851 14.603 14.603 162 H CYS 23 H CYS 23 20.177 18.851 18.851 163 HA CYS 23 HA CYS 23 20.804 20.662 20.662 164 1HB CYS 23 HB2 CYS 23 21.400 21.324 21.324 165 2HB CYS 23 HB1 CYS 23 22.301 21.890 21.890 166 HG CYS 23 HG CYS 23 23.186 19.247 19.247 167 H ARG 24 H ARG 24 20.878 23.066 23.066 168 HA ARG 24 HA ARG 24 18.254 24.159 24.159 169 1HB ARG 24 HB2 ARG 24 19.661 26.177 26.177 170 2HB ARG 24 HB1 ARG 24 18.292 25.208 25.208 171 1HG ARG 24 HG2 ARG 24 19.738 23.596 23.596 172 2HG ARG 24 HG1 ARG 24 21.148 24.178 24.178 173 1HD ARG 24 HD2 ARG 24 20.283 26.441 26.441 174 2HD ARG 24 HD1 ARG 24 20.020 25.118 25.118 175 HE ARG 24 HE ARG 24 22.565 24.716 24.716 176 1HH1 ARG 24 HH1 ARG 24 20.911 27.125 27.125 177 2HH1 ARG 24 HH1 ARG 24 22.371 27.668 27.668 178 1HH2 ARG 24 HH2 ARG 24 24.517 25.420 25.420 179 2HH2 ARG 24 HH2 ARG 24 24.430 26.694 26.694 180 H GLY 25 H GLY 25 20.336 23.622 23.622 181 1HA GLY 25 HA1 GLY 25 22.004 25.652 25.652 182 2HA GLY 25 HA2 GLY 25 21.020 24.716 24.716 183 H TYR 26 H TYR 26 18.531 25.489 25.489 184 HA TYR 26 HA TYR 26 17.084 27.217 27.217 185 1HB TYR 26 HB1 TYR 26 18.930 28.852 28.852 186 2HB TYR 26 HB2 TYR 26 17.321 29.328 29.328 187 HD1 TYR 26 HD2 TYR 26 16.861 25.947 25.947 188 HD2 TYR 26 HD1 TYR 26 17.647 29.446 29.446 189 HE1 TYR 26 HE2 TYR 26 15.852 24.818 24.818 190 HE2 TYR 26 HE1 TYR 26 16.638 28.316 28.316 191 HH TYR 26 HH TYR 26 16.200 25.821 25.821 192 H ILE 27 H ILE 27 16.974 28.048 28.048 193 HA ILE 27 HA ILE 27 18.995 29.967 29.967 194 HB ILE 27 HB ILE 27 18.578 27.608 27.608 195 1HG1 ILE 27 HG1 ILE 27 20.793 27.905 27.905 196 2HG1 ILE 27 HG1 ILE 27 19.436 26.764 26.764 197 1HG2 ILE 27 HG2 ILE 27 20.773 29.712 29.712 198 2HG2 ILE 27 HG2 ILE 27 20.760 28.336 28.336 199 3HG2 ILE 27 HG2 ILE 27 19.511 29.593 29.593 200 1HD1 ILE 27 HD1 ILE 27 21.572 26.830 26.830 201 2HD1 ILE 27 HD1 ILE 27 21.486 25.662 25.662 202 3HD1 ILE 27 HD1 ILE 27 20.229 25.674 25.674 203 H THR 28 H THR 28 16.062 29.770 29.770 204 HA THR 28 HA THR 28 14.016 30.254 30.254 205 HB THR 28 HB THR 28 15.982 32.346 32.346 206 HG1 THR 28 HG1 THR 28 13.822 32.148 32.148 207 1HG2 THR 28 HG2 THR 28 13.040 31.945 31.945 208 2HG2 THR 28 HG2 THR 28 13.562 33.569 33.569 209 3HG2 THR 28 HG2 THR 28 14.266 32.821 32.821 210 H ARG 29 H ARG 29 14.781 27.942 27.942 211 HA ARG 29 HA ARG 29 14.908 28.249 28.249 212 1HB ARG 29 HB2 ARG 29 14.672 25.812 25.812 213 2HB ARG 29 HB1 ARG 29 14.750 25.719 25.719 214 1HG ARG 29 HG2 ARG 29 16.859 26.972 26.972 215 2HG ARG 29 HG1 ARG 29 16.973 25.364 25.364 216 1HD ARG 29 HD2 ARG 29 16.350 27.300 27.300 217 2HD ARG 29 HD1 ARG 29 17.729 27.900 27.900 218 HE ARG 29 HE ARG 29 17.606 25.516 25.516 219 1HH1 ARG 29 HH1 ARG 29 19.322 27.227 27.227 220 2HH1 ARG 29 HH1 ARG 29 20.864 26.406 26.406 221 1HH2 ARG 29 HH2 ARG 29 19.641 24.413 24.413 222 2HH2 ARG 29 HH2 ARG 29 21.046 24.798 24.798 223 H TYR 30 H TYR 30 13.285 26.451 26.451 224 HA TYR 30 HA TYR 30 10.589 27.093 27.093 225 1HB TYR 30 HB1 TYR 30 11.412 27.145 27.145 226 2HB TYR 30 HB2 TYR 30 9.785 27.400 27.400 227 HD1 TYR 30 HD1 TYR 30 13.252 28.843 28.843 228 HD2 TYR 30 HD2 TYR 30 8.998 29.572 29.572 229 HE1 TYR 30 HE1 TYR 30 13.655 31.280 31.280 230 HE2 TYR 30 HE2 TYR 30 9.403 32.009 32.009 231 HH TYR 30 HH TYR 30 12.575 33.374 33.374 232 H PHE 31 H PHE 31 8.867 25.561 25.561 233 HA PHE 31 HA PHE 31 9.789 22.929 22.929 234 1HB PHE 31 HB2 PHE 31 9.276 21.694 21.694 235 2HB PHE 31 HB1 PHE 31 10.224 23.039 23.039 236 HD1 PHE 31 HD2 PHE 31 8.964 25.104 25.104 237 HD2 PHE 31 HD1 PHE 31 7.113 21.248 21.248 238 HE1 PHE 31 HE2 PHE 31 7.169 25.691 25.691 239 HE2 PHE 31 HE1 PHE 31 5.323 21.844 21.844 240 HZ PHE 31 HZ PHE 31 5.347 24.063 24.063 241 H TYR 32 H TYR 32 7.953 21.531 21.531 242 HA TYR 32 HA TYR 32 5.617 23.212 23.212 243 1HB TYR 32 HB1 TYR 32 6.792 21.594 21.594 244 2HB TYR 32 HB2 TYR 32 6.086 20.285 20.285 245 HD1 TYR 32 HD2 TYR 32 3.679 19.799 19.799 246 HD2 TYR 32 HD1 TYR 32 5.333 23.037 23.037 247 HE1 TYR 32 HE2 TYR 32 1.577 19.926 19.926 248 HE2 TYR 32 HE1 TYR 32 3.231 23.163 23.163 249 HH TYR 32 HH TYR 32 1.237 21.784 21.784 250 H ASN 33 H ASN 33 4.193 23.505 23.505 251 HA ASN 33 HA ASN 33 3.766 21.338 21.338 252 1HB ASN 33 HB2 ASN 33 3.841 23.715 23.715 253 2HB ASN 33 HB1 ASN 33 2.466 24.087 24.087 254 1HD2 ASN 33 HD2 ASN 33 0.745 23.723 23.723 255 2HD2 ASN 33 HD2 ASN 33 1.613 24.863 24.863 256 H ASN 34 H ASN 34 2.183 19.835 19.835 257 HA ASN 34 HA ASN 34 0.391 19.844 19.844 258 1HB ASN 34 HB2 ASN 34 -0.651 17.878 17.878 259 2HB ASN 34 HB1 ASN 34 1.050 17.693 17.693 260 1HD2 ASN 34 HD2 ASN 34 1.977 16.912 16.912 261 2HD2 ASN 34 HD2 ASN 34 2.061 16.618 16.618 262 H GLN 35 H GLN 35 0.215 20.808 20.808 263 HA GLN 35 HA GLN 35 -2.615 20.909 20.909 264 1HB GLN 35 HB2 GLN 35 -0.412 21.494 21.494 265 2HB GLN 35 HB1 GLN 35 -1.377 22.981 22.981 266 1HG GLN 35 HG2 GLN 35 -2.684 22.015 22.015 267 2HG GLN 35 HG1 GLN 35 -3.309 21.000 21.000 268 1HE2 GLN 35 HE2 GLN 35 -0.355 19.559 19.559 269 2HE2 GLN 35 HE2 GLN 35 -0.495 21.276 21.276 270 H THR 36 H THR 36 -0.296 22.864 22.864 271 HA THR 36 HA THR 36 -2.441 24.872 24.872 272 HB THR 36 HB THR 36 0.506 25.318 25.318 273 HG1 THR 36 HG1 THR 36 -1.974 26.527 26.527 274 1HG2 THR 36 HG2 THR 36 -1.397 26.902 26.902 275 2HG2 THR 36 HG2 THR 36 -0.464 27.796 27.796 276 3HG2 THR 36 HG2 THR 36 0.388 26.879 26.879 277 H LYS 37 H LYS 37 -0.996 22.233 22.233 278 HA LYS 37 HA LYS 37 -0.169 21.602 21.602 279 1HB LYS 37 HB2 LYS 37 -2.710 23.074 23.074 280 2HB LYS 37 HB1 LYS 37 -1.877 21.892 21.892 281 1HG LYS 37 HG2 LYS 37 -3.092 20.294 20.294 282 2HG LYS 37 HG1 LYS 37 -2.127 20.616 20.616 283 1HD LYS 37 HD2 LYS 37 -4.444 20.802 20.802 284 2HD LYS 37 HD1 LYS 37 -3.797 22.453 22.453 285 1HE LYS 37 HE2 LYS 37 -5.095 23.014 23.014 286 2HE LYS 37 HE1 LYS 37 -4.967 21.396 21.396 287 1HZ LYS 37 HZ1 LYS 37 -6.644 22.133 22.133 288 2HZ LYS 37 HZ3 LYS 37 -7.182 21.873 21.873 289 3HZ LYS 37 HZ2 LYS 37 -6.544 20.619 20.619 290 H GLN 38 H GLN 38 1.331 23.776 23.776 291 HA GLN 38 HA GLN 38 2.100 24.866 24.866 292 1HB GLN 38 HB2 GLN 38 0.317 26.408 26.408 293 2HB GLN 38 HB1 GLN 38 1.908 27.104 27.104 294 1HG GLN 38 HG2 GLN 38 2.265 26.993 26.993 295 2HG GLN 38 HG1 GLN 38 0.501 26.817 26.817 296 1HE2 GLN 38 HE2 GLN 38 -0.273 30.133 30.133 297 2HE2 GLN 38 HE2 GLN 38 -0.836 28.464 28.464 298 H CYS 39 H CYS 39 3.818 26.931 26.931 299 HA CYS 39 HA CYS 39 5.697 25.254 25.254 300 1HB CYS 39 HB2 CYS 39 6.099 27.460 27.460 301 2HB CYS 39 HB1 CYS 39 7.385 26.978 26.978 302 HG CYS 39 HG CYS 39 6.156 25.318 25.318 303 H GLU 40 H GLU 40 6.032 25.781 25.781 304 HA GLU 40 HA GLU 40 5.364 28.567 28.567 305 1HB GLU 40 HB2 GLU 40 4.563 26.012 26.012 306 2HB GLU 40 HB1 GLU 40 5.464 26.942 26.942 307 1HG GLU 40 HG2 GLU 40 3.557 28.598 28.598 308 2HG GLU 40 HG1 GLU 40 2.760 27.243 27.243 309 H ARG 41 H ARG 41 6.803 29.707 29.707 310 HA ARG 41 HA ARG 41 9.564 28.934 28.934 311 1HB ARG 41 HB2 ARG 41 8.062 31.271 31.271 312 2HB ARG 41 HB1 ARG 41 9.409 30.923 30.923 313 1HG ARG 41 HG2 ARG 41 10.922 31.656 31.656 314 2HG ARG 41 HG1 ARG 41 10.220 30.641 30.641 315 1HD ARG 41 HD2 ARG 41 10.132 33.080 33.080 316 2HD ARG 41 HD1 ARG 41 8.513 32.361 32.361 317 HE ARG 41 HE ARG 41 8.054 33.689 33.689 318 1HH1 ARG 41 HH1 ARG 41 11.534 33.645 33.645 319 2HH1 ARG 41 HH1 ARG 41 11.926 34.899 34.899 320 1HH2 ARG 41 HH2 ARG 41 8.549 35.355 35.355 321 2HH2 ARG 41 HH2 ARG 41 10.221 35.876 35.876 322 H PHE 42 H PHE 42 11.093 28.399 28.399 323 HA PHE 42 HA PHE 42 10.299 27.921 27.921 324 1HB PHE 42 HB2 PHE 42 9.891 25.680 25.680 325 2HB PHE 42 HB1 PHE 42 9.116 26.083 26.083 326 HD1 PHE 42 HD2 PHE 42 10.954 26.085 26.085 327 HD2 PHE 42 HD1 PHE 42 11.107 23.661 23.661 328 HE1 PHE 42 HE2 PHE 42 12.339 24.402 24.402 329 HE2 PHE 42 HE1 PHE 42 12.492 21.984 21.984 330 HZ PHE 42 HZ PHE 42 13.109 22.350 22.350 331 H LYS 43 H LYS 43 12.090 26.934 26.934 332 HA LYS 43 HA LYS 43 14.631 27.677 27.677 333 1HB LYS 43 HB2 LYS 43 15.305 26.826 26.826 334 2HB LYS 43 HB1 LYS 43 14.797 28.477 28.477 335 1HG LYS 43 HG2 LYS 43 12.733 26.370 26.370 336 2HG LYS 43 HG1 LYS 43 13.627 27.172 27.172 337 1HD LYS 43 HD2 LYS 43 12.743 29.177 29.177 338 2HD LYS 43 HD1 LYS 43 11.361 28.130 28.130 339 1HE LYS 43 HE2 LYS 43 11.802 28.478 28.478 340 2HE LYS 43 HE1 LYS 43 13.162 29.542 29.542 341 1HZ LYS 43 HZ1 LYS 43 10.335 29.979 29.979 342 2HZ LYS 43 HZ3 LYS 43 11.167 30.770 30.770 343 3HZ LYS 43 HZ2 LYS 43 11.599 30.989 30.989 344 H TYR 44 H TYR 44 16.535 26.210 26.210 345 HA TYR 44 HA TYR 44 15.616 23.368 23.368 346 1HB TYR 44 HB1 TYR 44 16.030 24.294 24.294 347 2HB TYR 44 HB2 TYR 44 17.631 24.823 24.823 348 HD1 TYR 44 HD2 TYR 44 16.741 21.627 21.627 349 HD2 TYR 44 HD1 TYR 44 18.351 23.501 23.501 350 HE1 TYR 44 HE2 TYR 44 17.715 19.457 19.457 351 HE2 TYR 44 HE1 TYR 44 19.324 21.331 21.331 352 HH TYR 44 HH TYR 44 19.065 18.367 18.367 353 H GLY 45 H GLY 45 16.226 23.105 23.105 354 1HA GLY 45 HA1 GLY 45 18.460 23.754 23.754 355 2HA GLY 45 HA2 GLY 45 17.797 22.109 22.109 356 H GLY 46 H GLY 46 18.328 21.451 21.451 357 1HA GLY 46 HA1 GLY 46 20.009 20.490 20.490 358 2HA GLY 46 HA2 GLY 46 21.001 21.894 21.894 359 H CYS 47 H CYS 47 20.094 18.546 18.546 360 HA CYS 47 HA CYS 47 22.648 18.004 18.004 361 1HB CYS 47 HB2 CYS 47 20.517 18.819 18.819 362 2HB CYS 47 HB1 CYS 47 21.374 17.324 17.324 363 HG CYS 47 HG CYS 47 23.589 19.663 19.663 364 H LEU 48 H LEU 48 19.148 17.168 17.168 365 HA LEU 48 HA LEU 48 19.740 14.651 14.651 366 1HB LEU 48 HB2 LEU 48 20.181 14.468 14.468 367 2HB LEU 48 HB1 LEU 48 18.418 14.275 14.275 368 HG LEU 48 HG LEU 48 19.508 12.602 12.602 369 1HD1 LEU 48 HD1 LEU 48 20.834 12.231 12.231 370 2HD1 LEU 48 HD1 LEU 48 20.886 11.051 11.051 371 3HD1 LEU 48 HD1 LEU 48 21.634 12.649 12.649 372 1HD2 LEU 48 HD2 LEU 48 17.363 12.200 12.200 373 2HD2 LEU 48 HD2 LEU 48 18.432 10.785 10.785 374 3HD2 LEU 48 HD2 LEU 48 18.189 11.927 11.927 375 H GLY 49 H GLY 49 18.287 16.818 16.818 376 1HA GLY 49 HA1 GLY 49 15.441 16.434 16.434 377 2HA GLY 49 HA2 GLY 49 16.143 17.587 17.587 378 H ASN 50 H ASN 50 14.925 17.099 17.099 379 HA ASN 50 HA ASN 50 15.430 14.408 14.408 380 1HB ASN 50 HB2 ASN 50 13.111 14.227 14.227 381 2HB ASN 50 HB1 ASN 50 13.121 14.435 14.435 382 1HD2 ASN 50 HD2 ASN 50 10.466 16.678 16.678 383 2HD2 ASN 50 HD2 ASN 50 10.823 14.973 14.973 384 H MET 51 H MET 51 13.948 14.755 14.755 385 HA MET 51 HA MET 51 15.566 16.864 16.864 386 1HB MET 51 HB2 MET 51 13.687 14.886 14.886 387 2HB MET 51 HB1 MET 51 15.071 15.737 15.737 388 1HG MET 51 HG2 MET 51 16.622 14.420 14.420 389 2HG MET 51 HG1 MET 51 15.262 13.649 13.649 390 1HE MET 51 HE1 MET 51 16.253 14.534 14.534 391 2HE MET 51 HE3 MET 51 15.341 13.243 13.243 392 3HE MET 51 HE2 MET 51 14.484 14.472 14.472 393 H ASN 52 H ASN 52 13.241 17.492 17.492 394 HA ASN 52 HA ASN 52 11.416 18.710 18.710 395 1HB ASN 52 HB2 ASN 52 10.596 17.095 17.095 396 2HB ASN 52 HB1 ASN 52 10.794 18.552 18.552 397 1HD2 ASN 52 HD2 ASN 52 7.767 19.963 19.963 398 2HD2 ASN 52 HD2 ASN 52 9.122 19.826 19.826 399 H ASN 53 H ASN 53 14.006 19.827 19.827 400 HA ASN 53 HA ASN 53 13.154 22.339 22.339 401 1HB ASN 53 HB2 ASN 53 14.709 21.308 21.308 402 2HB ASN 53 HB1 ASN 53 15.780 20.809 20.809 403 1HD2 ASN 53 HD2 ASN 53 17.579 23.801 23.801 404 2HD2 ASN 53 HD2 ASN 53 17.271 22.171 22.171 405 H PHE 54 H PHE 54 13.233 24.042 24.042 406 HA PHE 54 HA PHE 54 15.116 23.891 23.891 407 1HB PHE 54 HB2 PHE 54 12.402 25.228 25.228 408 2HB PHE 54 HB1 PHE 54 13.470 25.282 25.282 409 HD1 PHE 54 HD2 PHE 54 13.853 23.292 23.292 410 HD2 PHE 54 HD1 PHE 54 11.061 23.198 23.198 411 HE1 PHE 54 HE2 PHE 54 12.830 21.220 21.220 412 HE2 PHE 54 HE1 PHE 54 10.045 21.128 21.128 413 HZ PHE 54 HZ PHE 54 10.926 20.136 20.136 414 H GLU 55 H GLU 55 15.885 26.030 26.030 415 HA GLU 55 HA GLU 55 16.498 27.707 27.707 416 1HB GLU 55 HB2 GLU 55 17.557 27.994 27.994 417 2HB GLU 55 HB1 GLU 55 18.224 28.708 28.708 418 1HG GLU 55 HG2 GLU 55 18.900 26.546 26.546 419 2HG GLU 55 HG1 GLU 55 17.962 25.706 25.706 420 H THR 56 H THR 56 15.017 27.929 27.929 421 HA THR 56 HA THR 56 13.880 30.569 30.569 422 HB THR 56 HB THR 56 13.686 30.521 30.521 423 HG1 THR 56 HG1 THR 56 15.265 29.264 29.264 424 1HG2 THR 56 HG2 THR 56 15.818 31.425 31.425 425 2HG2 THR 56 HG2 THR 56 16.243 31.403 31.403 426 3HG2 THR 56 HG2 THR 56 14.894 32.412 32.412 427 H LEU 57 H LEU 57 11.648 30.947 30.947 428 HA LEU 57 HA LEU 57 9.977 28.740 28.740 429 1HB LEU 57 HB2 LEU 57 9.458 31.025 31.025 430 2HB LEU 57 HB1 LEU 57 9.297 31.448 31.448 431 HG LEU 57 HG LEU 57 7.528 29.496 29.496 432 1HD1 LEU 57 HD1 LEU 57 7.496 30.506 30.506 433 2HD1 LEU 57 HD1 LEU 57 6.222 29.506 29.506 434 3HD1 LEU 57 HD1 LEU 57 7.862 28.858 28.858 435 1HD2 LEU 57 HD2 LEU 57 7.023 31.795 31.795 436 2HD2 LEU 57 HD2 LEU 57 5.732 31.188 31.188 437 3HD2 LEU 57 HD2 LEU 57 6.950 32.320 32.320 438 H GLU 58 H GLU 58 10.600 30.623 30.623 439 HA GLU 58 HA GLU 58 8.924 29.181 29.181 440 1HB GLU 58 HB2 GLU 58 10.659 31.236 31.236 441 2HB GLU 58 HB1 GLU 58 11.575 29.930 29.930 442 1HG GLU 58 HG2 GLU 58 9.603 29.412 29.412 443 2HG GLU 58 HG1 GLU 58 8.692 30.712 30.712 444 H GLU 59 H GLU 59 12.358 28.506 28.506 445 HA GLU 59 HA GLU 59 12.748 26.272 26.272 446 1HB GLU 59 HB2 GLU 59 14.165 27.558 27.558 447 2HB GLU 59 HB1 GLU 59 13.919 25.916 25.916 448 1HG GLU 59 HG2 GLU 59 15.719 25.353 25.353 449 2HG GLU 59 HG1 GLU 59 14.617 25.465 25.465 450 H CYS 60 H CYS 60 11.233 26.514 26.514 451 HA CYS 60 HA CYS 60 10.843 23.707 23.707 452 1HB CYS 60 HB2 CYS 60 10.780 24.957 24.957 453 2HB CYS 60 HB1 CYS 60 9.651 26.145 26.145 454 HG CYS 60 HG CYS 60 9.007 23.198 23.198 455 H LYS 61 H LYS 61 9.137 26.259 26.259 456 HA LYS 61 HA LYS 61 6.716 24.693 24.693 457 1HB LYS 61 HB2 LYS 61 7.487 27.138 27.138 458 2HB LYS 61 HB1 LYS 61 5.863 26.516 26.516 459 1HG LYS 61 HG2 LYS 61 6.915 26.849 26.849 460 2HG LYS 61 HG1 LYS 61 7.675 28.187 28.187 461 1HD LYS 61 HD2 LYS 61 5.747 29.348 29.348 462 2HD LYS 61 HD1 LYS 61 4.932 28.094 28.094 463 1HE LYS 61 HE2 LYS 61 3.709 27.604 27.604 464 2HE LYS 61 HE1 LYS 61 5.198 27.017 27.017 465 1HZ LYS 61 HZ1 LYS 61 4.204 29.800 29.800 466 2HZ LYS 61 HZ3 LYS 61 4.115 28.700 28.700 467 3HZ LYS 61 HZ2 LYS 61 5.591 29.257 29.257 468 H ASN 62 H ASN 62 9.422 25.744 25.744 469 HA ASN 62 HA ASN 62 8.635 24.398 24.398 470 1HB ASN 62 HB2 ASN 62 10.827 25.852 25.852 471 2HB ASN 62 HB1 ASN 62 11.527 24.222 24.222 472 1HD2 ASN 62 HD2 ASN 62 11.392 26.106 26.106 473 2HD2 ASN 62 HD2 ASN 62 11.513 26.769 26.769 474 H ILE 63 H ILE 63 10.416 23.165 23.165 475 HA ILE 63 HA ILE 63 10.739 20.548 20.548 476 HB ILE 63 HB ILE 63 11.082 21.611 21.611 477 1HG1 ILE 63 HG1 ILE 63 12.868 22.539 22.539 478 2HG1 ILE 63 HG1 ILE 63 13.579 20.927 20.927 479 1HG2 ILE 63 HG2 ILE 63 11.797 18.849 18.849 480 2HG2 ILE 63 HG2 ILE 63 12.318 19.509 19.509 481 3HG2 ILE 63 HG2 ILE 63 10.596 19.231 19.231 482 1HD1 ILE 63 HD1 ILE 63 12.067 21.902 21.902 483 2HD1 ILE 63 HD1 ILE 63 13.837 21.725 21.725 484 3HD1 ILE 63 HD1 ILE 63 12.790 20.293 20.293 485 H CYS 64 H CYS 64 8.655 21.926 21.926 486 HA CYS 64 HA CYS 64 7.087 19.466 19.466 487 1HB CYS 64 HB2 CYS 64 6.540 22.073 22.073 488 2HB CYS 64 HB1 CYS 64 5.847 20.479 20.479 489 HG CYS 64 HG CYS 64 9.192 20.377 20.377 490 H GLU 65 H GLU 65 5.829 22.847 22.847 491 HA GLU 65 HA GLU 65 3.455 22.458 22.458 492 1HB GLU 65 HB2 GLU 65 5.448 24.671 24.671 493 2HB GLU 65 HB1 GLU 65 4.076 24.689 24.689 494 1HG GLU 65 HG2 GLU 65 2.840 24.114 24.114 495 2HG GLU 65 HG1 GLU 65 4.166 25.169 25.169 496 H ASP 66 H ASP 66 6.612 22.235 22.235 497 HA ASP 66 HA ASP 66 7.193 21.433 21.433 498 1HB ASP 66 HB2 ASP 66 6.042 19.624 19.624 499 2HB ASP 66 HB1 ASP 66 5.506 19.621 19.621 500 H GLY 67 H GLY 67 6.901 21.784 21.784 501 1HA GLY 67 HA1 GLY 67 5.093 24.111 24.111 502 2HA GLY 67 HA2 GLY 67 6.582 23.733 23.733 503 HA PRO 68 HA PRO 68 2.929 21.903 21.903 504 1HB PRO 68 HB2 PRO 68 3.234 23.451 23.451 505 2HB PRO 68 HB1 PRO 68 2.123 23.855 23.855 506 1HG PRO 68 HG2 PRO 68 4.686 25.086 25.086 507 2HG PRO 68 HG1 PRO 68 3.379 25.713 25.713 508 1HD PRO 68 HD2 PRO 68 5.898 24.653 24.653 509 2HD PRO 68 HD1 PRO 68 4.541 25.186 25.186 510 H ASN 69 H ASN 69 5.468 23.112 23.112 511 HA ASN 69 HA ASN 69 5.685 20.744 20.744 512 1HB ASN 69 HB2 ASN 69 8.025 22.569 22.569 513 2HB ASN 69 HB1 ASN 69 7.846 21.565 21.565 514 1HD2 ASN 69 HD2 ASN 69 5.686 23.761 23.761 515 2HD2 ASN 69 HD2 ASN 69 6.290 22.110 22.110 516 H GLY 70 H GLY 70 6.875 18.840 18.840 517 1HA GLY 70 HA1 GLY 70 7.716 17.057 17.057 518 2HA GLY 70 HA2 GLY 70 9.038 18.196 18.196 519 H PHE 71 H PHE 71 9.188 19.224 19.224 520 HA PHE 71 HA PHE 71 7.005 18.859 18.859 521 1HB PHE 71 HB2 PHE 71 7.948 16.850 16.850 522 2HB PHE 71 HB1 PHE 71 9.540 17.294 17.294 523 HD1 PHE 71 HD2 PHE 71 7.168 17.863 17.863 524 HD2 PHE 71 HD1 PHE 71 11.255 18.089 18.089 525 HE1 PHE 71 HE2 PHE 71 7.940 18.325 18.325 526 HE2 PHE 71 HE1 PHE 71 12.017 18.550 18.550 527 HZ PHE 71 HZ PHE 71 10.363 18.670 18.670
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